============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 73 rings ring int. center anis. iso. TYR 10 0.840 24.524 56.166-109.571 -99.200 -91.000 TYR 20 0.840 9.789 44.622 -98.210 -99.200 -91.000 PHE 23 1.000 9.763 39.182 -81.954 -99.200 -91.000 HIS 26 0.900 4.460 31.270 -77.261 -99.200 -91.000 TYR 32 0.840 -1.309 30.909 -75.543 -99.200 -91.000 TYR 36 0.840 -4.411 28.047 -80.088 -99.200 -91.000 PHE 48 1.000 -3.150 27.794 -86.102 -99.200 -91.000 TYR 66 0.840 7.051 30.628 -82.145 -99.200 -91.000 PHE 71 1.000 7.971 32.470 -74.209 -99.200 -91.000 TYR 75 0.840 9.621 27.980 -75.405 -99.200 -91.000 PHE 76 1.000 13.909 25.431 -69.309 -99.200 -91.000 TRP 77 1.040 13.673 22.508 -77.284 -99.200 -91.000 TRP6 77 1.020 12.952 20.455 -78.206 -99.200 -91.000 TRP 95 1.040 7.475 39.628 -72.171 -99.200 -91.000 TRP6 95 1.020 8.018 41.916 -72.416 -99.200 -91.000 PHE 108 1.000 4.653 31.259 -84.951 -99.200 -91.000 TRP 111 1.040 -1.075 31.617 -87.539 -99.200 -91.000 TRP6 111 1.020 0.403 33.462 -87.599 -99.200 -91.000 TYR 139 0.840 10.451 18.330 -82.171 -99.200 -91.000 HIS 142 0.900 18.816 13.710 -88.930 -99.200 -91.000 TYR 148 0.840 16.318 15.494 -78.370 -99.200 -91.000 HIS 155 0.900 6.472 15.173 -79.830 -99.200 -91.000 HIS 161 0.900 8.139 21.863 -88.093 -99.200 -91.000 TRP 166 1.040 17.600 27.340 -87.117 -99.200 -91.000 TRP6 166 1.020 16.454 26.101 -85.460 -99.200 -91.000 TRP 176 1.040 15.811 44.249 -70.438 -99.200 -91.000 TRP6 176 1.020 17.198 46.078 -71.015 -99.200 -91.000 HIS 180 0.900 23.865 41.136 -68.333 -99.200 -91.000 TYR 186 0.840 25.256 36.256 -77.890 -99.200 -91.000 PHE 219 1.000 25.690 50.426 -81.386 -99.200 -91.000 TRP 222 1.040 26.445 42.352 -77.829 -99.200 -91.000 TRP6 222 1.020 26.192 41.380 -75.685 -99.200 -91.000 TYR 229 0.840 35.101 35.763 -77.980 -99.200 -91.000 TYR 231 0.840 33.562 37.900 -90.050 -99.200 -91.000 TYR 233 0.840 32.854 28.295 -86.720 -99.200 -91.000 TYR 236 0.840 21.578 36.793 -92.206 -99.200 -91.000 HIS 240 0.900 17.101 43.364 -81.357 -99.200 -91.000 TYR 242 0.840 11.247 48.005 -80.166 -99.200 -91.000 TYR 243 0.840 13.794 55.675 -84.001 -99.200 -91.000 PHE 253 1.000 7.243 59.668 -83.699 -99.200 -91.000 PHE 263 1.000 21.089 50.600 -84.267 -99.200 -91.000 TYR 273 0.840 37.818 46.759 -85.635 -99.200 -91.000 TYR 285 0.840 25.473 39.753 -96.733 -99.200 -91.000 PHE 288 1.000 17.127 47.855 -87.549 -99.200 -91.000 TRP 291 1.040 11.528 47.036 -88.753 -99.200 -91.000 TRP6 291 1.020 9.859 48.485 -89.592 -99.200 -91.000 TRP 294 1.040 6.825 49.562 -76.850 -99.200 -91.000 TRP6 294 1.020 8.506 48.015 -76.239 -99.200 -91.000 TYR 295 0.840 4.587 57.320 -78.785 -99.200 -91.000 HIS 296 0.900 0.709 55.860 -79.323 -99.200 -91.000 TRP 310 1.040 3.295 35.452 -61.199 -99.200 -91.000 TRP6 310 1.020 5.117 35.140 -62.641 -99.200 -91.000 TYR 321 0.840 1.761 51.265 -83.436 -99.200 -91.000 PHE 323 1.000 -0.943 60.674 -91.570 -99.200 -91.000 HIS 339 0.900 21.810 52.165 -95.021 -99.200 -91.000 TRP 368 1.040 -9.119 46.715 -84.673 -99.200 -91.000 TRP6 368 1.020 -7.739 48.557 -84.260 -99.200 -91.000 PHE 373 1.000 -2.478 45.667 -92.953 -99.200 -91.000 TYR 374 0.840 -4.225 50.242 -95.023 -99.200 -91.000 PHE 376 1.000 5.849 45.081 -93.055 -99.200 -91.000 HIS 378 0.900 0.460 51.468 -99.672 -99.200 -91.000 TYR 382 0.840 2.228 48.515-104.848 -99.200 -91.000 HIS 397 0.900 12.485 69.445 -91.620 -99.200 -91.000 HIS 402 0.900 16.820 64.432 -84.596 -99.200 -91.000 TYR 414 0.840 14.346 48.558-113.821 -99.200 -91.000 PHE 424 1.000 7.907 51.928-101.779 -99.200 -91.000 HIS 431 0.900 4.769 73.291 -89.783 -99.200 -91.000 HIS 448 0.900 1.354 60.227-105.832 -99.200 -91.000 HIS 453 0.900 -7.129 62.019 -90.615 -99.200 -91.000 TYR 468 0.840 -9.794 55.328 -96.118 -99.200 -91.000 PHE 477 1.000 6.893 59.365-116.797 -99.200 -91.000 TRP 491 1.040 3.244 55.169 -97.669 -99.200 -91.000 TRP6 491 1.020 5.461 54.369 -97.566 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2c7fB1 LYS 3 HA 0.01 -0.03 0.33 -0.75 4.32 3.87 2c7fB1 LYS 3 HB2 0.00 -0.06 0.07 -0.04 1.87 1.84 2c7fB1 LYS 3 HB3 0.01 -0.02 0.04 -0.04 1.79 1.78 2c7fB1 LYS 3 HG2 0.00 0.03 -0.24 -0.04 1.46 1.21 2c7fB1 LYS 3 HG3 0.00 -0.00 0.00 -0.04 1.46 1.42 2c7fB1 LYS 3 HD2 0.00 -0.01 -0.05 -0.04 1.69 1.60 2c7fB1 LYS 3 HD3 -0.00 0.00 -0.08 -0.04 1.68 1.56 2c7fB1 LYS 3 HE2 -0.00 -0.02 -0.04 -0.04 2.99 2.89 2c7fB1 LYS 3 HE3 0.00 -0.02 -0.01 -0.04 2.99 2.92 2c7fB1 ALA 4 H 0.01 0.60 0.28 -0.55 8.40 8.74 2c7fB1 ALA 4 HA 0.01 0.23 1.00 -0.75 4.34 4.82 2c7fB1 ALA 4 HB3 0.01 -0.01 -0.00 -0.04 1.41 1.37 2c7fB1 ARG 5 H 0.00 0.42 0.29 -0.55 8.46 8.62 2c7fB1 ARG 5 HA -0.00 0.23 0.88 -0.75 4.34 4.69 2c7fB1 ARG 5 HB2 -0.00 0.01 0.17 -0.04 1.90 2.04 2c7fB1 ARG 5 HB3 -0.00 0.00 0.01 -0.04 1.80 1.77 2c7fB1 ARG 5 HG2 -0.00 0.01 0.01 -0.04 1.67 1.65 2c7fB1 ARG 5 HG3 0.00 -0.05 -0.11 -0.04 1.67 1.47 2c7fB1 ARG 5 HD2 -0.00 -0.01 -0.02 -0.04 3.22 3.15 2c7fB1 ARG 5 HD3 -0.00 -0.02 -0.03 -0.04 3.22 3.12 2c7fB1 MET 6 H -0.01 0.70 0.37 -0.55 8.47 8.99 2c7fB1 MET 6 HA -0.02 0.18 0.63 -0.75 4.52 4.56 2c7fB1 MET 6 HB2 -0.02 0.04 0.01 -0.04 2.15 2.14 2c7fB1 MET 6 HB3 -0.01 -0.05 -0.23 -0.04 2.03 1.70 2c7fB1 MET 6 HG2 -0.02 -0.13 -0.46 -0.04 2.63 1.98 2c7fB1 MET 6 HG3 -0.04 0.16 -0.15 -0.04 2.56 2.49 2c7fB1 MET 6 HE3 -0.04 -0.02 -0.28 -0.04 2.10 1.72 2c7fB1 THR 7 H -0.03 0.61 0.22 -0.55 8.28 8.53 2c7fB1 THR 7 HA -0.00 0.13 0.79 -0.75 4.39 4.55 2c7fB1 THR 7 HB -0.01 -0.05 -0.09 -0.04 4.32 4.13 2c7fB1 THR 7 HG23 -0.03 0.03 0.04 -0.04 1.22 1.22 2c7fB1 VAL 8 H -0.00 0.77 0.20 -0.55 8.24 8.66 2c7fB1 VAL 8 HA -0.03 0.22 0.89 -0.75 4.13 4.46 2c7fB1 VAL 8 HB -0.01 -0.07 -0.01 -0.04 2.12 1.98 2c7fB1 VAL 8 HG13 -0.05 -0.01 -0.22 -0.04 0.97 0.65 2c7fB1 VAL 8 HG23 -0.03 0.02 -0.32 -0.04 0.95 0.58 2c7fB1 ASP 9 H 0.01 0.36 0.13 -0.55 8.40 8.35 2c7fB1 ASP 9 HA -0.00 0.06 0.83 -0.75 4.63 4.76 2c7fB1 ASP 9 HB2 0.09 0.06 -0.20 -0.04 2.71 2.61 2c7fB1 ASP 9 HB3 0.22 0.08 0.07 -0.04 2.70 3.04 2c7fB1 LYS 10 H -0.08 0.19 0.08 -0.55 8.42 8.05 2c7fB1 LYS 10 HA -0.09 0.15 0.36 -0.75 4.32 3.99 2c7fB1 LYS 10 HB2 -0.30 0.06 0.04 -0.04 1.87 1.64 2c7fB1 LYS 10 HB3 -0.45 -0.02 0.03 -0.04 1.79 1.32 2c7fB1 LYS 10 HG2 -0.18 0.00 0.01 -0.04 1.46 1.25 2c7fB1 LYS 10 HG3 -0.09 -0.09 0.06 -0.04 1.46 1.29 2c7fB1 LYS 10 HD2 -0.04 0.03 -0.08 -0.04 1.69 1.55 2c7fB1 LYS 10 HD3 -0.04 0.02 -0.26 -0.04 1.68 1.37 2c7fB1 LYS 10 HE2 0.03 0.02 -0.05 -0.04 2.99 2.95 2c7fB1 LYS 10 HE3 -0.15 -0.01 -0.05 -0.04 2.99 2.74 2c7fB1 ASP 11 H -0.02 0.06 -0.20 -0.55 8.40 7.68 2c7fB1 ASP 11 HA -0.02 0.13 0.53 -0.75 4.63 4.51 2c7fB1 ASP 11 HB2 -0.09 -0.00 -0.02 -0.04 2.71 2.56 2c7fB1 ASP 11 HB3 -0.10 0.03 0.14 -0.04 2.70 2.74 2c7fB1 TYR 12 H 0.09 0.24 -0.86 -0.55 8.29 7.21 2c7fB1 TYR 12 HA -0.01 0.22 0.90 -0.75 4.56 4.92 2c7fB1 TYR 12 HB2 -0.02 -0.10 0.03 -0.04 3.06 2.93 2c7fB1 TYR 12 HB3 -0.02 -0.08 0.33 -0.04 2.98 3.17 2c7fB1 TYR 12 HD2 -0.01 0.03 -0.04 -0.04 7.15 7.08 2c7fB1 TYR 12 HE2 -0.01 -0.00 -0.01 -0.04 6.85 6.79 2c7fB1 LYS 13 H 0.09 0.18 -0.05 -0.55 8.42 8.08 2c7fB1 LYS 13 HA 0.08 0.21 0.62 -0.75 4.32 4.48 2c7fB1 LYS 13 HB2 0.05 0.00 -0.04 -0.04 1.87 1.84 2c7fB1 LYS 13 HB3 0.05 -0.02 -0.05 -0.04 1.79 1.73 2c7fB1 LYS 13 HG2 0.06 -0.03 -0.05 -0.04 1.46 1.40 2c7fB1 LYS 13 HG3 0.08 0.04 -0.11 -0.04 1.46 1.42 2c7fB1 LYS 13 HD2 0.03 0.03 -0.10 -0.04 1.69 1.61 2c7fB1 LYS 13 HD3 0.03 0.00 -0.02 -0.04 1.68 1.65 2c7fB1 LYS 13 HE2 0.02 -0.02 -0.01 -0.04 2.99 2.94 2c7fB1 LYS 13 HE3 0.03 -0.01 -0.04 -0.04 2.99 2.94 2c7fB1 ILE 14 H 0.03 0.75 0.33 -0.55 8.25 8.82 2c7fB1 ILE 14 HA 0.04 0.13 0.80 -0.75 4.18 4.40 2c7fB1 ILE 14 HB -0.01 0.01 0.04 -0.04 1.89 1.88 2c7fB1 ILE 14 HG12 -0.02 -0.02 0.05 -0.04 1.49 1.46 2c7fB1 ILE 14 HG13 -0.02 -0.07 -0.27 -0.04 1.21 0.81 2c7fB1 ILE 14 HG23 -0.02 0.05 -0.08 -0.04 0.93 0.84 2c7fB1 ILE 14 HD13 -0.09 0.05 0.01 -0.04 0.88 0.81 2c7fB1 ALA 15 H 0.02 0.28 0.29 -0.55 8.40 8.44 2c7fB1 ALA 15 HA 0.03 0.05 0.37 -0.75 4.34 4.03 2c7fB1 ALA 15 HB3 0.02 0.06 -0.15 -0.04 1.41 1.30 2c7fB1 GLU 16 H 0.01 0.15 0.14 -0.55 8.60 8.36 2c7fB1 GLU 16 HA 0.00 0.12 0.88 -0.75 4.29 4.54 2c7fB1 GLU 16 HB2 0.00 -0.06 0.11 -0.04 2.09 2.11 2c7fB1 GLU 16 HB3 -0.00 -0.01 0.14 -0.04 1.99 2.08 2c7fB1 GLU 16 HG2 -0.01 -0.05 -0.07 -0.04 2.34 2.17 2c7fB1 GLU 16 HG3 -0.01 0.26 -0.21 -0.04 2.34 2.35 2c7fB1 ILE 17 H -0.00 0.71 0.38 -0.55 8.25 8.78 2c7fB1 ILE 17 HA -0.03 0.10 0.64 -0.75 4.18 4.14 2c7fB1 ILE 17 HB 0.02 -0.11 0.13 -0.04 1.89 1.90 2c7fB1 ILE 17 HG12 -0.06 0.04 0.01 -0.04 1.49 1.44 2c7fB1 ILE 17 HG13 -0.02 -0.08 -0.04 -0.04 1.21 1.03 2c7fB1 ILE 17 HG23 0.05 0.09 -0.23 -0.04 0.93 0.81 2c7fB1 ILE 17 HD13 0.04 0.04 -0.11 -0.04 0.88 0.82 2c7fB1 ASP 18 H -0.05 0.28 0.23 -0.55 8.40 8.31 2c7fB1 ASP 18 HA -0.02 0.07 0.82 -0.75 4.63 4.75 2c7fB1 ASP 18 HB2 -0.05 0.09 0.18 -0.04 2.71 2.89 2c7fB1 ASP 18 HB3 -0.06 0.10 0.28 -0.04 2.70 2.98 2c7fB1 LYS 19 H 0.02 0.20 0.12 -0.55 8.42 8.20 2c7fB1 LYS 19 HA 0.13 0.15 0.27 -0.75 4.32 4.11 2c7fB1 LYS 19 HB2 0.12 0.11 0.10 -0.04 1.87 2.16 2c7fB1 LYS 19 HB3 0.07 0.02 0.12 -0.04 1.79 1.97 2c7fB1 LYS 19 HG2 0.03 -0.08 0.07 -0.04 1.46 1.43 2c7fB1 LYS 19 HG3 0.04 0.00 -0.18 -0.04 1.46 1.28 2c7fB1 LYS 19 HD2 0.04 0.07 -0.01 -0.04 1.69 1.75 2c7fB1 LYS 19 HD3 0.03 -0.01 0.02 -0.04 1.68 1.68 2c7fB1 LYS 19 HE2 0.02 -0.04 -0.01 -0.04 2.99 2.91 2c7fB1 LYS 19 HE3 0.02 0.02 -0.03 -0.04 2.99 2.96 2c7fB1 ARG 20 H -0.01 0.08 -0.51 -0.55 8.46 7.46 2c7fB1 ARG 20 HA 0.03 0.07 0.38 -0.75 4.34 4.06 2c7fB1 ARG 20 HB2 -0.03 0.29 0.09 -0.04 1.90 2.20 2c7fB1 ARG 20 HB3 -0.03 -0.12 0.12 -0.04 1.80 1.74 2c7fB1 ARG 20 HG2 0.01 -0.01 -0.09 -0.04 1.67 1.54 2c7fB1 ARG 20 HG3 0.01 -0.04 -0.05 -0.04 1.67 1.55 2c7fB1 ARG 20 HD2 -0.02 -0.06 -0.08 -0.04 3.22 3.02 2c7fB1 ARG 20 HD3 0.01 0.01 -0.07 -0.04 3.22 3.14 2c7fB1 ILE 21 H -0.18 0.58 -0.40 -0.55 8.25 7.70 2c7fB1 ILE 21 HA -0.07 -0.17 0.52 -0.75 4.18 3.70 2c7fB1 ILE 21 HB -0.26 -0.09 -0.09 -0.04 1.89 1.41 2c7fB1 ILE 21 HG12 -0.56 0.24 -0.06 -0.04 1.49 1.07 2c7fB1 ILE 21 HG13 -1.38 0.04 -0.41 -0.04 1.21 -0.57 2c7fB1 ILE 21 HG23 -0.12 0.03 -0.30 -0.04 0.93 0.49 2c7fB1 ILE 21 HD13 -0.36 -0.01 -0.15 -0.04 0.88 0.32 2c7fB1 TYR 22 H -0.07 0.45 -0.27 -0.55 8.29 7.85 2c7fB1 TYR 22 HA -0.00 0.09 0.78 -0.75 4.56 4.68 2c7fB1 TYR 22 HB2 0.02 0.13 0.22 -0.04 3.06 3.39 2c7fB1 TYR 22 HB3 -0.09 0.04 0.23 -0.04 2.98 3.11 2c7fB1 TYR 22 HD2 -0.22 0.01 -0.01 -0.04 7.15 6.89 2c7fB1 TYR 22 HE2 -0.02 -0.03 -0.16 -0.04 6.85 6.60 2c7fB1 GLY 23 H 0.18 0.26 -0.39 -0.55 8.43 7.94 2c7fB1 GLY 23 HA2 0.16 -0.03 0.69 -0.51 4.01 4.31 2c7fB1 GLY 23 HA3 0.13 0.02 0.43 -0.51 4.01 4.08 2c7fB1 SER 24 H 0.09 0.55 0.38 -0.55 8.46 8.94 2c7fB1 SER 24 HA 0.01 0.05 0.72 -0.75 4.49 4.52 2c7fB1 SER 24 HB2 -0.13 0.13 -0.15 -0.04 3.95 3.76 2c7fB1 SER 24 HB3 -0.02 -0.05 0.00 -0.04 3.93 3.82 2c7fB1 PHE 25 H 0.02 0.26 0.13 -0.55 8.34 8.20 2c7fB1 PHE 25 HA 0.02 0.14 0.88 -0.75 4.62 4.91 2c7fB1 PHE 25 HB2 -0.02 0.12 -0.35 -0.04 3.15 2.86 2c7fB1 PHE 25 HB3 -0.09 0.07 -0.17 -0.04 3.06 2.83 2c7fB1 PHE 25 HD2 -0.04 0.17 -0.19 -0.04 7.28 7.19 2c7fB1 PHE 25 HE2 -0.01 -0.07 -0.32 -0.04 7.38 6.93 2c7fB1 PHE 25 HZ 0.04 -0.27 -0.15 -0.04 7.32 6.90 2c7fB1 VAL 26 H 0.17 0.82 0.23 -0.55 8.24 8.91 2c7fB1 VAL 26 HA -0.41 0.06 0.97 -0.75 4.13 4.00 2c7fB1 VAL 26 HB 0.12 0.04 0.08 -0.04 2.12 2.32 2c7fB1 VAL 26 HG13 -0.27 -0.02 -0.21 -0.04 0.97 0.43 2c7fB1 VAL 26 HG23 0.02 -0.00 -0.12 -0.04 0.95 0.81 2c7fB1 GLU 27 H -0.64 0.18 0.09 -0.55 8.60 7.68 2c7fB1 GLU 27 HA -0.26 0.29 0.69 -0.75 4.29 4.27 2c7fB1 GLU 27 HB2 -0.57 -0.01 -0.16 -0.04 2.09 1.31 2c7fB1 GLU 27 HB3 -0.48 -0.00 -0.04 -0.04 1.99 1.43 2c7fB1 GLU 27 HG2 -0.10 0.07 -0.34 -0.04 2.34 1.93 2c7fB1 GLU 27 HG3 0.12 0.22 0.17 -0.04 2.34 2.80 2c7fB1 HIS 28 H -0.40 0.40 0.15 -0.55 8.41 8.01 2c7fB1 HIS 28 HA -0.45 0.04 0.64 -0.75 4.63 4.11 2c7fB1 HIS 28 HB2 -2.38 -0.00 0.21 -0.04 3.26 1.05 2c7fB1 HIS 28 HB3 -0.91 0.00 0.15 -0.04 3.20 2.40 2c7fB1 HIS 28 HD2 -0.68 0.00 0.03 -0.04 6.97 6.28 2c7fB1 HIS 28 HE1 -0.03 0.29 0.03 -0.04 7.75 7.99 2c7fB1 LEU 29 H -0.38 0.50 0.09 -0.55 8.37 8.03 2c7fB1 LEU 29 HA -0.36 0.11 0.75 -0.75 4.35 4.09 2c7fB1 LEU 29 HB2 -0.49 -0.12 -0.40 -0.04 1.64 0.60 2c7fB1 LEU 29 HB3 -0.57 0.04 -0.04 -0.04 1.64 1.02 2c7fB1 LEU 29 HG -2.33 -0.00 -0.08 -0.04 1.64 -0.80 2c7fB1 LEU 29 HD13 -0.95 -0.01 -0.12 -0.04 0.93 -0.20 2c7fB1 LEU 29 HD23 -0.99 0.01 -0.17 -0.04 0.89 -0.31 2c7fB1 GLY 30 H -0.24 0.15 0.12 -0.55 8.43 7.91 2c7fB1 GLY 30 HA2 -0.14 0.25 0.41 -0.51 4.01 4.02 2c7fB1 GLY 30 HA3 -0.25 -0.03 0.42 -0.51 4.01 3.64 2c7fB1 ARG 31 H -0.20 0.13 0.14 -0.55 8.46 7.97 2c7fB1 ARG 31 HA -0.09 0.35 0.73 -0.75 4.34 4.59 2c7fB1 ARG 31 HB2 -0.14 -0.08 0.03 -0.04 1.90 1.67 2c7fB1 ARG 31 HB3 -0.10 0.20 0.03 -0.04 1.80 1.89 2c7fB1 ARG 31 HG2 -0.05 0.15 -0.17 -0.04 1.67 1.56 2c7fB1 ARG 31 HG3 -0.09 -0.11 -0.30 -0.04 1.67 1.13 2c7fB1 ARG 31 HD2 -0.05 -0.00 0.05 -0.04 3.22 3.19 2c7fB1 ARG 31 HD3 -0.04 -0.02 -0.00 -0.04 3.22 3.11 2c7fB1 ALA 32 H -0.27 0.49 -0.14 -0.55 8.40 7.93 2c7fB1 ALA 32 HA -0.28 0.22 0.51 -0.75 4.34 4.04 2c7fB1 ALA 32 HB3 -0.38 -0.04 0.24 -0.04 1.41 1.20 2c7fB1 VAL 33 H -0.35 0.09 -0.12 -0.55 8.24 7.31 2c7fB1 VAL 33 HA -0.45 0.12 0.79 -0.75 4.13 3.83 2c7fB1 VAL 33 HB -0.87 -0.06 0.12 -0.04 2.12 1.27 2c7fB1 VAL 33 HG13 -0.81 0.01 -0.15 -0.04 0.97 -0.01 2c7fB1 VAL 33 HG23 -0.81 0.03 -0.15 -0.04 0.95 -0.02 2c7fB1 TYR 34 H -0.26 0.08 0.05 -0.55 8.29 7.61 2c7fB1 TYR 34 HA 0.06 0.25 0.59 -0.75 4.56 4.71 2c7fB1 TYR 34 HB2 -0.03 0.05 0.09 -0.04 3.06 3.13 2c7fB1 TYR 34 HB3 0.03 0.06 0.04 -0.04 2.98 3.06 2c7fB1 TYR 34 HD2 0.09 0.07 0.03 -0.04 7.15 7.30 2c7fB1 TYR 34 HE2 0.06 0.01 0.01 -0.04 6.85 6.89 2c7fB1 ASP 35 H 0.07 0.28 0.17 -0.55 8.40 8.37 2c7fB1 ASP 35 HA -0.02 -0.02 0.21 -0.75 4.63 4.05 2c7fB1 ASP 35 HB2 0.01 -0.02 -0.06 -0.04 2.71 2.61 2c7fB1 ASP 35 HB3 -0.02 0.18 0.23 -0.04 2.70 3.05 2c7fB1 GLY 36 H -0.06 0.17 -0.54 -0.55 8.43 7.45 2c7fB1 GLY 36 HA2 -0.11 0.03 0.51 -0.51 4.01 3.93 2c7fB1 GLY 36 HA3 -0.16 0.26 -0.02 -0.51 4.01 3.58 2c7fB1 LEU 37 H -0.25 0.48 0.11 -0.55 8.37 8.15 2c7fB1 LEU 37 HA -0.05 0.03 0.53 -0.75 4.35 4.10 2c7fB1 LEU 37 HB2 -0.73 -0.02 0.05 -0.04 1.64 0.90 2c7fB1 LEU 37 HB3 -0.48 0.04 0.09 -0.04 1.64 1.25 2c7fB1 LEU 37 HG -0.53 -0.01 0.14 -0.04 1.64 1.20 2c7fB1 LEU 37 HD13 -1.37 -0.02 -0.27 -0.04 0.93 -0.77 2c7fB1 LEU 37 HD23 -1.15 0.02 -0.05 -0.04 0.89 -0.33 2c7fB1 TYR 38 H -0.07 0.55 -0.09 -0.55 8.29 8.13 2c7fB1 TYR 38 HA 0.07 0.23 0.82 -0.75 4.56 4.92 2c7fB1 TYR 38 HB2 -0.09 -0.04 -0.19 -0.04 3.06 2.70 2c7fB1 TYR 38 HB3 -0.24 -0.02 -0.07 -0.04 2.98 2.60 2c7fB1 TYR 38 HD2 0.01 -0.06 -0.21 -0.04 7.15 6.84 2c7fB1 TYR 38 HE2 -0.01 0.15 -0.05 -0.04 6.85 6.89 2c7fB1 GLN 39 H -0.21 0.73 0.10 -0.55 8.47 8.54 2c7fB1 GLN 39 HA -0.22 0.07 0.76 -0.75 4.36 4.22 2c7fB1 GLN 39 HB2 -0.08 -0.01 0.01 -0.04 2.15 2.04 2c7fB1 GLN 39 HB3 -0.08 -0.02 -0.02 -0.04 2.02 1.86 2c7fB1 GLN 39 HG2 -0.05 -0.09 -0.16 -0.04 2.40 2.06 2c7fB1 GLN 39 HG3 -0.05 0.01 -0.73 -0.04 2.39 1.58 2c7fB1 GLN 39 HE21 -0.03 -0.15 -0.35 -0.04 6.97 6.40 2c7fB1 GLN 39 HE22 -0.05 0.12 -0.59 -0.04 7.69 7.13 2c7fB1 PRO 40 HA -0.29 0.07 0.32 -0.51 4.44 4.03 2c7fB1 PRO 40 HB2 -0.12 -0.08 0.13 -0.04 2.28 2.17 2c7fB1 PRO 40 HB3 -0.13 0.09 0.02 -0.04 2.02 1.97 2c7fB1 PRO 40 HG2 -0.12 0.03 0.03 -0.04 2.03 1.93 2c7fB1 PRO 40 HG3 -0.55 0.10 0.01 -0.04 2.03 1.55 2c7fB1 PRO 40 HD2 -0.25 0.06 0.10 -0.04 3.68 3.56 2c7fB1 PRO 40 HD3 -1.05 0.13 -0.19 -0.04 3.65 2.50 2c7fB1 GLY 41 H -0.09 0.07 -0.06 -0.55 8.43 7.79 2c7fB1 GLY 41 HA2 -0.05 0.11 0.22 -0.51 4.01 3.79 2c7fB1 GLY 41 HA3 -0.05 -0.03 0.29 -0.51 4.01 3.71 2c7fB1 ASN 42 H -0.08 0.36 -0.64 -0.55 8.53 7.62 2c7fB1 ASN 42 HA -0.03 0.05 0.36 -0.75 4.76 4.39 2c7fB1 ASN 42 HB2 -0.05 0.02 -0.01 -0.04 2.88 2.80 2c7fB1 ASN 42 HB3 -0.04 -0.00 -0.02 -0.04 2.79 2.69 2c7fB1 ASN 42 HD21 -0.01 0.09 0.43 -0.04 7.03 7.50 2c7fB1 ASN 42 HD22 -0.03 -0.04 -0.00 -0.04 7.74 7.63 2c7fB1 SER 43 H -0.02 0.13 0.20 -0.55 8.46 8.23 2c7fB1 SER 43 HA -0.01 0.18 0.53 -0.75 4.49 4.43 2c7fB1 SER 43 HB2 -0.01 0.01 0.05 -0.04 3.95 3.97 2c7fB1 SER 43 HB3 -0.01 0.04 0.15 -0.04 3.93 4.07 2c7fB1 LYS 44 H -0.01 0.03 -0.26 -0.55 8.42 7.62 2c7fB1 LYS 44 HA 0.01 0.20 0.43 -0.75 4.32 4.21 2c7fB1 LYS 44 HB2 0.01 0.01 0.06 -0.04 1.87 1.90 2c7fB1 LYS 44 HB3 0.01 -0.12 0.20 -0.04 1.79 1.83 2c7fB1 LYS 44 HG2 0.01 0.04 0.04 -0.04 1.46 1.51 2c7fB1 LYS 44 HG3 0.00 0.05 -0.10 -0.04 1.46 1.37 2c7fB1 LYS 44 HD2 -0.00 -0.00 0.05 -0.04 1.69 1.69 2c7fB1 LYS 44 HD3 0.00 0.01 0.09 -0.04 1.68 1.74 2c7fB1 LYS 44 HE2 0.01 0.03 0.04 -0.04 2.99 3.02 2c7fB1 LYS 44 HE3 0.01 -0.11 0.10 -0.04 2.99 2.95 2c7fB1 SER 45 H -0.01 0.43 -0.57 -0.55 8.46 7.77 2c7fB1 SER 45 HA 0.04 0.08 0.95 -0.75 4.49 4.82 2c7fB1 SER 45 HB2 -0.05 0.25 -0.02 -0.04 3.95 4.09 2c7fB1 SER 45 HB3 -0.02 -0.14 -0.60 -0.04 3.93 3.13 2c7fB1 ASP 46 H 0.05 0.07 0.14 -0.55 8.40 8.11 2c7fB1 ASP 46 HA 0.01 0.20 0.71 -0.75 4.63 4.79 2c7fB1 ASP 46 HB2 0.05 -0.08 0.20 -0.04 2.71 2.84 2c7fB1 ASP 46 HB3 0.07 0.09 0.19 -0.04 2.70 3.00 2c7fB1 GLU 47 H 0.01 0.16 0.13 -0.55 8.60 8.35 2c7fB1 GLU 47 HA -0.03 0.20 0.38 -0.75 4.29 4.09 2c7fB1 GLU 47 HB2 -0.00 0.02 -0.03 -0.04 2.09 2.04 2c7fB1 GLU 47 HB3 -0.01 0.04 0.12 -0.04 1.99 2.11 2c7fB1 GLU 47 HG2 0.01 0.03 0.05 -0.04 2.34 2.38 2c7fB1 GLU 47 HG3 0.00 0.01 0.08 -0.04 2.34 2.39 2c7fB1 ASP 48 H -0.07 -0.02 -0.33 -0.55 8.40 7.43 2c7fB1 ASP 48 HA -0.13 0.22 0.71 -0.75 4.63 4.68 2c7fB1 ASP 48 HB2 -0.28 -0.08 -0.02 -0.04 2.71 2.29 2c7fB1 ASP 48 HB3 -0.66 0.03 0.02 -0.04 2.70 2.05 2c7fB1 GLY 49 H -0.16 0.37 -0.45 -0.55 8.43 7.64 2c7fB1 GLY 49 HA2 -0.20 0.26 0.13 -0.51 4.01 3.70 2c7fB1 GLY 49 HA3 -0.35 0.08 0.48 -0.51 4.01 3.71 2c7fB1 PHE 50 H -0.19 -0.04 -0.24 -0.55 8.34 7.32 2c7fB1 PHE 50 HA 0.09 0.26 0.74 -0.75 4.62 4.96 2c7fB1 PHE 50 HB2 0.17 -0.09 -0.00 -0.04 3.15 3.20 2c7fB1 PHE 50 HB3 0.39 0.10 -0.04 -0.04 3.06 3.48 2c7fB1 PHE 50 HD2 0.15 0.03 -0.16 -0.04 7.28 7.26 2c7fB1 PHE 50 HE2 0.07 -0.04 -0.22 -0.04 7.38 7.14 2c7fB1 PHE 50 HZ 0.10 0.16 -0.08 -0.04 7.32 7.46 2c7fB1 ARG 51 H 0.19 0.50 0.19 -0.55 8.46 8.78 2c7fB1 ARG 51 HA 0.07 0.10 0.38 -0.75 4.34 4.13 2c7fB1 ARG 51 HB2 0.08 0.09 0.17 -0.04 1.90 2.20 2c7fB1 ARG 51 HB3 0.05 -0.19 -0.00 -0.04 1.80 1.62 2c7fB1 ARG 51 HG2 0.01 0.02 -0.12 -0.04 1.67 1.54 2c7fB1 ARG 51 HG3 0.00 0.16 -0.10 -0.04 1.67 1.69 2c7fB1 ARG 51 HD2 0.01 -0.02 -0.23 -0.04 3.22 2.94 2c7fB1 ARG 51 HD3 -0.01 0.03 -0.12 -0.04 3.22 3.07 2c7fB1 LYS 52 H 0.06 0.83 0.52 -0.55 8.42 9.28 2c7fB1 LYS 52 HA 0.07 0.08 0.41 -0.75 4.32 4.12 2c7fB1 LYS 52 HB2 0.03 0.12 0.19 -0.04 1.87 2.18 2c7fB1 LYS 52 HB3 0.02 0.01 0.06 -0.04 1.79 1.84 2c7fB1 LYS 52 HG2 0.05 0.03 0.09 -0.04 1.46 1.59 2c7fB1 LYS 52 HG3 0.07 -0.10 0.23 -0.04 1.46 1.61 2c7fB1 LYS 52 HD2 0.03 -0.06 -0.04 -0.04 1.69 1.58 2c7fB1 LYS 52 HD3 0.02 0.11 -0.13 -0.04 1.68 1.65 2c7fB1 LYS 52 HE2 0.01 0.01 -0.01 -0.04 2.99 2.97 2c7fB1 LYS 52 HE3 0.02 0.00 0.02 -0.04 2.99 2.99 2c7fB1 ASP 53 H 0.03 0.16 -0.00 -0.55 8.40 8.05 2c7fB1 ASP 53 HA 0.01 0.13 0.52 -0.75 4.63 4.53 2c7fB1 ASP 53 HB2 0.01 0.06 0.02 -0.04 2.71 2.76 2c7fB1 ASP 53 HB3 0.01 0.04 0.11 -0.04 2.70 2.82 2c7fB1 VAL 54 H 0.05 0.09 -0.34 -0.55 8.24 7.49 2c7fB1 VAL 54 HA 0.02 0.04 0.41 -0.75 4.13 3.85 2c7fB1 VAL 54 HB 0.13 0.20 0.09 -0.04 2.12 2.51 2c7fB1 VAL 54 HG13 0.18 -0.00 -0.20 -0.04 0.97 0.91 2c7fB1 VAL 54 HG23 0.00 0.00 -0.12 -0.04 0.95 0.80 2c7fB1 ILE 55 H 0.07 0.41 -0.15 -0.55 8.25 8.03 2c7fB1 ILE 55 HA -0.18 0.03 0.34 -0.75 4.18 3.62 2c7fB1 ILE 55 HB -0.02 0.10 0.15 -0.04 1.89 2.07 2c7fB1 ILE 55 HG12 -0.40 0.01 -0.06 -0.04 1.49 1.01 2c7fB1 ILE 55 HG13 0.16 0.08 -0.00 -0.04 1.21 1.41 2c7fB1 ILE 55 HG23 -0.20 -0.00 -0.18 -0.04 0.93 0.51 2c7fB1 ILE 55 HD13 0.09 -0.03 -0.12 -0.04 0.88 0.78 2c7fB1 GLU 56 H -0.02 0.37 -0.27 -0.55 8.60 8.14 2c7fB1 GLU 56 HA -0.04 0.09 0.45 -0.75 4.29 4.03 2c7fB1 GLU 56 HB2 -0.00 0.07 0.12 -0.04 2.09 2.24 2c7fB1 GLU 56 HB3 -0.01 -0.03 0.02 -0.04 1.99 1.94 2c7fB1 GLU 56 HG2 -0.01 0.26 0.10 -0.04 2.34 2.65 2c7fB1 GLU 56 HG3 -0.01 -0.06 0.01 -0.04 2.34 2.24 2c7fB1 LEU 57 H 0.00 0.36 -0.27 -0.55 8.37 7.92 2c7fB1 LEU 57 HA 0.08 0.04 0.46 -0.75 4.35 4.19 2c7fB1 LEU 57 HB2 0.03 0.10 0.12 -0.04 1.64 1.84 2c7fB1 LEU 57 HB3 0.13 -0.05 -0.02 -0.04 1.64 1.65 2c7fB1 LEU 57 HG -0.01 0.16 0.02 -0.04 1.64 1.76 2c7fB1 LEU 57 HD13 -0.05 -0.03 -0.18 -0.04 0.93 0.63 2c7fB1 LEU 57 HD23 -0.15 -0.01 -0.05 -0.04 0.89 0.63 2c7fB1 VAL 58 H -0.03 0.47 -0.15 -0.55 8.24 7.97 2c7fB1 VAL 58 HA -0.09 0.04 0.53 -0.75 4.13 3.86 2c7fB1 VAL 58 HB -0.24 0.11 0.11 -0.04 2.12 2.06 2c7fB1 VAL 58 HG13 -0.24 0.01 -0.11 -0.04 0.97 0.59 2c7fB1 VAL 58 HG23 0.04 0.03 -0.04 -0.04 0.95 0.94 2c7fB1 LYS 59 H -0.11 0.52 -0.04 -0.55 8.42 8.23 2c7fB1 LYS 59 HA -0.11 0.12 0.46 -0.75 4.32 4.04 2c7fB1 LYS 59 HB2 -0.07 0.03 0.17 -0.04 1.87 1.95 2c7fB1 LYS 59 HB3 -0.06 -0.04 -0.02 -0.04 1.79 1.62 2c7fB1 LYS 59 HG2 -0.14 0.08 -0.04 -0.04 1.46 1.32 2c7fB1 LYS 59 HG3 -0.18 0.06 0.12 -0.04 1.46 1.43 2c7fB1 LYS 59 HD2 -0.07 -0.07 -0.02 -0.04 1.69 1.49 2c7fB1 LYS 59 HD3 -0.11 0.03 -0.03 -0.04 1.68 1.53 2c7fB1 LYS 59 HE2 -0.13 0.13 -0.01 -0.04 2.99 2.94 2c7fB1 LYS 59 HE3 -0.08 -0.07 -0.08 -0.04 2.99 2.72 2c7fB1 GLU 60 H 0.01 0.27 -0.45 -0.55 8.60 7.88 2c7fB1 GLU 60 HA 0.03 0.02 0.41 -0.75 4.29 4.00 2c7fB1 GLU 60 HB2 0.09 0.18 0.17 -0.04 2.09 2.49 2c7fB1 GLU 60 HB3 0.30 0.08 0.07 -0.04 1.99 2.41 2c7fB1 GLU 60 HG2 0.22 -0.01 -0.07 -0.04 2.34 2.45 2c7fB1 GLU 60 HG3 0.10 -0.02 0.02 -0.04 2.34 2.40 2c7fB1 LEU 61 H -0.05 0.35 -0.20 -0.55 8.37 7.92 2c7fB1 LEU 61 HA -0.25 -0.06 0.48 -0.75 4.35 3.76 2c7fB1 LEU 61 HB2 -0.24 0.10 0.14 -0.04 1.64 1.61 2c7fB1 LEU 61 HB3 -0.25 0.02 -0.15 -0.04 1.64 1.22 2c7fB1 LEU 61 HG -1.12 0.00 0.03 -0.04 1.64 0.52 2c7fB1 LEU 61 HD13 -0.57 -0.04 -0.03 -0.04 0.93 0.25 2c7fB1 LEU 61 HD23 -0.93 -0.04 0.03 -0.04 0.89 -0.09 2c7fB1 ASN 62 H -0.07 0.21 -0.51 -0.55 8.53 7.62 2c7fB1 ASN 62 HA -0.05 0.01 0.29 -0.75 4.76 4.26 2c7fB1 ASN 62 HB2 -0.05 0.06 -0.17 -0.04 2.88 2.67 2c7fB1 ASN 62 HB3 -0.05 0.13 -0.01 -0.04 2.79 2.82 2c7fB1 ASN 62 HD21 -0.03 -0.09 -0.03 -0.04 7.03 6.84 2c7fB1 ASN 62 HD22 -0.04 -0.00 -0.03 -0.04 7.74 7.62 2c7fB1 VAL 63 H -0.05 0.19 -0.03 -0.55 8.24 7.80 2c7fB1 VAL 63 HA 0.13 0.45 0.89 -0.75 4.13 4.84 2c7fB1 VAL 63 HB -0.06 -0.07 0.01 -0.04 2.12 1.96 2c7fB1 VAL 63 HG13 0.05 -0.03 -0.12 -0.04 0.97 0.82 2c7fB1 VAL 63 HG23 -0.05 0.02 -0.25 -0.04 0.95 0.63 2c7fB1 PRO 64 HA -0.01 0.25 0.48 -0.51 4.44 4.64 2c7fB1 PRO 64 HB2 0.04 -0.09 -0.16 -0.04 2.28 2.03 2c7fB1 PRO 64 HB3 0.03 -0.00 0.01 -0.04 2.02 2.01 2c7fB1 PRO 64 HG2 0.12 0.19 -0.17 -0.04 2.03 2.12 2c7fB1 PRO 64 HG3 0.08 0.07 -0.05 -0.04 2.03 2.09 2c7fB1 PRO 64 HD2 0.14 -0.02 -0.11 -0.04 3.68 3.65 2c7fB1 PRO 64 HD3 0.15 0.46 0.21 -0.04 3.65 4.43 2c7fB1 ILE 65 H 0.05 0.23 -0.11 -0.55 8.25 7.88 2c7fB1 ILE 65 HA 0.01 0.26 0.88 -0.75 4.18 4.57 2c7fB1 ILE 65 HB 0.02 0.02 -0.25 -0.04 1.89 1.64 2c7fB1 ILE 65 HG12 0.02 -0.08 -0.31 -0.04 1.49 1.08 2c7fB1 ILE 65 HG13 0.01 0.11 -0.26 -0.04 1.21 1.03 2c7fB1 ILE 65 HG23 0.04 -0.02 -0.01 -0.04 0.93 0.90 2c7fB1 ILE 65 HD13 -0.01 -0.01 -0.15 -0.04 0.88 0.67 2c7fB1 ILE 66 H 0.05 0.72 0.22 -0.55 8.25 8.69 2c7fB1 ILE 66 HA 0.12 0.25 0.92 -0.75 4.18 4.72 2c7fB1 ILE 66 HB 0.19 -0.00 -0.05 -0.04 1.89 1.99 2c7fB1 ILE 66 HG12 0.07 -0.03 -0.25 -0.04 1.49 1.25 2c7fB1 ILE 66 HG13 0.02 0.03 -0.58 -0.04 1.21 0.63 2c7fB1 ILE 66 HG23 0.32 -0.02 -0.29 -0.04 0.93 0.91 2c7fB1 ILE 66 HD13 0.03 0.00 -0.19 -0.04 0.88 0.68 2c7fB1 ARG 67 H 0.17 0.70 0.37 -0.55 8.46 9.16 2c7fB1 ARG 67 HA 0.09 0.25 0.73 -0.75 4.34 4.66 2c7fB1 ARG 67 HB2 0.00 0.09 0.08 -0.04 1.90 2.03 2c7fB1 ARG 67 HB3 0.12 -0.14 0.09 -0.04 1.80 1.83 2c7fB1 ARG 67 HG2 -0.09 -0.05 -0.13 -0.04 1.67 1.37 2c7fB1 ARG 67 HG3 -0.07 0.03 -0.04 -0.04 1.67 1.55 2c7fB1 ARG 67 HD2 -0.30 0.05 -0.06 -0.04 3.22 2.87 2c7fB1 ARG 67 HD3 -1.18 -0.06 -0.15 -0.04 3.22 1.79 2c7fB1 TYR 68 H 0.12 0.61 0.39 -0.55 8.29 8.86 2c7fB1 TYR 68 HA 0.01 0.17 0.74 -0.75 4.56 4.72 2c7fB1 TYR 68 HB2 -0.19 0.10 -0.33 -0.04 3.06 2.60 2c7fB1 TYR 68 HB3 -0.09 0.03 -0.09 -0.04 2.98 2.79 2c7fB1 TYR 68 HD2 -0.53 0.12 -0.07 -0.04 7.15 6.62 2c7fB1 TYR 68 HE2 -0.35 -0.05 -0.06 -0.04 6.85 6.36 2c7fB1 PRO 69 HA -0.76 0.30 0.45 -0.51 4.44 3.93 2c7fB1 PRO 69 HB2 -0.52 -0.09 0.14 -0.04 2.28 1.77 2c7fB1 PRO 69 HB3 -1.84 0.04 0.10 -0.04 2.02 0.28 2c7fB1 PRO 69 HG2 -0.28 -0.03 -0.04 -0.04 2.03 1.63 2c7fB1 PRO 69 HG3 -0.45 0.05 0.04 -0.04 2.03 1.63 2c7fB1 PRO 69 HD2 -0.07 0.06 0.27 -0.04 3.68 3.90 2c7fB1 PRO 69 HD3 -0.15 0.25 0.42 -0.04 3.65 4.12 2c7fB1 GLY 70 H 0.10 0.36 -0.13 -0.55 8.43 8.21 2c7fB1 GLY 70 HA2 0.47 0.00 0.33 -0.51 4.01 4.30 2c7fB1 GLY 70 HA3 0.27 -0.13 0.25 -0.51 4.01 3.89 2c7fB1 GLY 71 H 0.08 0.12 -0.00 -0.55 8.43 8.08 2c7fB1 GLY 71 HA2 0.38 0.17 0.24 -0.51 4.01 4.28 2c7fB1 GLY 71 HA3 0.52 0.07 0.31 -0.51 4.01 4.40 2c7fB1 ASN 72 H 0.50 0.24 0.09 -0.55 8.53 8.81 2c7fB1 ASN 72 HA 0.17 0.16 0.17 -0.75 4.76 4.50 2c7fB1 ASN 72 HB2 0.09 0.01 0.04 -0.04 2.88 2.98 2c7fB1 ASN 72 HB3 -0.09 0.05 0.04 -0.04 2.79 2.74 2c7fB1 ASN 72 HD21 0.32 0.01 -0.06 -0.04 7.03 7.26 2c7fB1 ASN 72 HD22 -0.21 0.07 -0.05 -0.04 7.74 7.52 2c7fB1 PHE 73 H 0.50 0.01 -0.39 -0.55 8.34 7.91 2c7fB1 PHE 73 HA 0.14 0.03 0.44 -0.75 4.62 4.48 2c7fB1 PHE 73 HB2 0.33 0.05 0.04 -0.04 3.15 3.53 2c7fB1 PHE 73 HB3 0.13 0.04 0.03 -0.04 3.06 3.21 2c7fB1 PHE 73 HD2 -0.04 0.00 -0.11 -0.04 7.28 7.09 2c7fB1 PHE 73 HE2 -0.68 0.01 -0.03 -0.04 7.38 6.65 2c7fB1 PHE 73 HZ -0.42 0.05 -0.01 -0.04 7.32 6.90 2c7fB1 VAL 74 H 0.19 0.32 -0.39 -0.55 8.24 7.80 2c7fB1 VAL 74 HA -0.05 0.08 0.23 -0.75 4.13 3.64 2c7fB1 VAL 74 HB 0.11 -0.07 -0.21 -0.04 2.12 1.90 2c7fB1 VAL 74 HG13 0.09 0.09 -0.36 -0.04 0.97 0.75 2c7fB1 VAL 74 HG23 0.11 0.00 -0.31 -0.04 0.95 0.71 2c7fB1 SER 75 H 0.03 0.25 -0.49 -0.55 8.46 7.70 2c7fB1 SER 75 HA -0.00 -0.12 0.35 -0.75 4.49 3.96 2c7fB1 SER 75 HB2 0.01 0.09 0.05 -0.04 3.95 4.05 2c7fB1 SER 75 HB3 -0.00 0.26 0.13 -0.04 3.93 4.28 2c7fB1 ASN 76 H -0.09 0.27 -0.45 -0.55 8.53 7.71 2c7fB1 ASN 76 HA -0.12 0.10 0.54 -0.75 4.76 4.53 2c7fB1 ASN 76 HB2 0.01 0.00 -0.13 -0.04 2.88 2.72 2c7fB1 ASN 76 HB3 0.01 -0.06 0.11 -0.04 2.79 2.80 2c7fB1 ASN 76 HD21 0.12 0.04 0.08 -0.04 7.03 7.22 2c7fB1 ASN 76 HD22 0.09 -0.12 0.11 -0.04 7.74 7.79 2c7fB1 TYR 77 H -0.12 0.33 -0.09 -0.55 8.29 7.86 2c7fB1 TYR 77 HA -0.19 0.15 0.76 -0.75 4.56 4.53 2c7fB1 TYR 77 HB2 -0.85 0.15 -0.01 -0.04 3.06 2.31 2c7fB1 TYR 77 HB3 -0.25 0.02 0.12 -0.04 2.98 2.82 2c7fB1 TYR 77 HD2 -0.08 0.02 -0.05 -0.04 7.15 7.00 2c7fB1 TYR 77 HE2 0.10 0.06 -0.07 -0.04 6.85 6.90 2c7fB1 PHE 78 H -0.17 0.26 0.08 -0.55 8.34 7.96 2c7fB1 PHE 78 HA -0.30 0.13 0.89 -0.75 4.62 4.59 2c7fB1 PHE 78 HB2 -0.25 0.06 0.18 -0.04 3.15 3.10 2c7fB1 PHE 78 HB3 -0.32 -0.03 0.06 -0.04 3.06 2.73 2c7fB1 PHE 78 HD2 -0.14 -0.00 -0.06 -0.04 7.28 7.03 2c7fB1 PHE 78 HE2 -0.06 0.04 -0.07 -0.04 7.38 7.25 2c7fB1 PHE 78 HZ -0.04 0.03 -0.07 -0.04 7.32 7.19 2c7fB1 TRP 79 H -0.16 0.22 0.05 -0.55 7.97 7.53 2c7fB1 TRP 79 HA -0.66 0.07 0.19 -0.75 4.62 3.46 2c7fB1 TRP 79 HB2 -0.02 0.06 0.02 -0.04 3.23 3.25 2c7fB1 TRP 79 HB3 -0.08 0.02 0.08 -0.04 3.23 3.21 2c7fB1 TRP 79 HD1 -0.10 -0.01 0.07 -0.04 7.22 7.13 2c7fB1 TRP 79 HE1 -0.09 0.04 0.06 -0.04 10.20 10.17 2c7fB1 TRP 79 HE3 -0.22 -0.00 -0.34 -0.04 7.59 6.99 2c7fB1 TRP 79 HZ2 -0.23 -0.06 -0.14 -0.04 7.44 6.97 2c7fB1 TRP 79 HZ3 -0.72 0.06 -0.11 -0.04 7.13 6.33 2c7fB1 TRP 79 HH2 0.35 0.03 -0.09 -0.04 7.19 7.44 2c7fB1 GLU 80 H -1.07 0.02 -0.33 -0.55 8.60 6.68 2c7fB1 GLU 80 HA -0.65 0.09 0.41 -0.75 4.29 3.38 2c7fB1 GLU 80 HB2 -0.48 -0.02 -0.01 -0.04 2.09 1.54 2c7fB1 GLU 80 HB3 -0.38 0.10 -0.00 -0.04 1.99 1.67 2c7fB1 GLU 80 HG2 -0.53 0.04 -0.01 -0.04 2.34 1.80 2c7fB1 GLU 80 HG3 -2.00 0.01 -0.02 -0.04 2.34 0.28 2c7fB1 ASP 81 H -0.24 0.42 -0.17 -0.55 8.40 7.86 2c7fB1 ASP 81 HA -0.07 0.12 0.46 -0.75 4.63 4.38 2c7fB1 ASP 81 HB2 -0.03 0.00 0.09 -0.04 2.71 2.73 2c7fB1 ASP 81 HB3 0.02 0.13 0.09 -0.04 2.70 2.89 2c7fB1 GLY 82 H 0.04 0.28 -0.48 -0.55 8.43 7.72 2c7fB1 GLY 82 HA2 0.14 0.35 0.70 -0.51 4.01 4.69 2c7fB1 GLY 82 HA3 0.24 -0.21 0.27 -0.51 4.01 3.81 2c7fB1 VAL 83 H 0.02 0.35 -0.19 -0.55 8.24 7.88 2c7fB1 VAL 83 HA 0.08 0.20 0.94 -0.75 4.13 4.59 2c7fB1 VAL 83 HB 0.19 -0.06 0.11 -0.04 2.12 2.32 2c7fB1 VAL 83 HG13 0.18 -0.02 -0.13 -0.04 0.97 0.96 2c7fB1 VAL 83 HG23 0.10 -0.01 -0.03 -0.04 0.95 0.96 2c7fB1 GLY 84 H -0.37 0.06 0.13 -0.55 8.43 7.71 2c7fB1 GLY 84 HA2 -0.74 0.01 0.33 -0.51 4.01 3.09 2c7fB1 GLY 84 HA3 -0.33 0.12 0.50 -0.51 4.01 3.79 2c7fB1 PRO 85 HA 0.03 0.01 0.45 -0.51 4.44 4.42 2c7fB1 PRO 85 HB2 0.02 -0.05 0.09 -0.04 2.28 2.30 2c7fB1 PRO 85 HB3 0.03 0.01 0.10 -0.04 2.02 2.12 2c7fB1 PRO 85 HG2 0.05 0.03 0.08 -0.04 2.03 2.15 2c7fB1 PRO 85 HG3 0.06 0.07 0.10 -0.04 2.03 2.22 2c7fB1 PRO 85 HD2 0.01 0.14 0.18 -0.04 3.68 3.97 2c7fB1 PRO 85 HD3 0.06 0.12 0.18 -0.04 3.65 3.97 2c7fB1 VAL 86 H 0.03 0.11 0.21 -0.55 8.24 8.04 2c7fB1 VAL 86 HA 0.03 0.24 0.32 -0.75 4.13 3.97 2c7fB1 VAL 86 HB 0.05 0.09 0.15 -0.04 2.12 2.36 2c7fB1 VAL 86 HG13 0.04 -0.02 0.06 -0.04 0.97 1.01 2c7fB1 VAL 86 HG23 0.06 0.01 -0.02 -0.04 0.95 0.96 2c7fB1 GLU 87 H 0.02 0.01 -0.22 -0.55 8.60 7.87 2c7fB1 GLU 87 HA 0.02 0.10 0.39 -0.75 4.29 4.04 2c7fB1 GLU 87 HB2 0.01 0.02 -0.09 -0.04 2.09 2.00 2c7fB1 GLU 87 HB3 0.01 0.01 0.07 -0.04 1.99 2.04 2c7fB1 GLU 87 HG2 0.02 0.01 0.01 -0.04 2.34 2.34 2c7fB1 GLU 87 HG3 0.02 -0.03 0.03 -0.04 2.34 2.33 2c7fB1 ASP 88 H 0.01 0.33 -0.43 -0.55 8.40 7.76 2c7fB1 ASP 88 HA -0.00 0.08 0.58 -0.75 4.63 4.54 2c7fB1 ASP 88 HB2 -0.00 0.17 0.01 -0.04 2.71 2.85 2c7fB1 ASP 88 HB3 -0.01 -0.05 0.08 -0.04 2.70 2.69 2c7fB1 ARG 89 H 0.01 0.22 -0.37 -0.55 8.46 7.77 2c7fB1 ARG 89 HA -0.01 0.07 0.59 -0.75 4.34 4.23 2c7fB1 ARG 89 HB2 0.03 0.01 0.09 -0.04 1.90 2.00 2c7fB1 ARG 89 HB3 0.04 0.18 0.06 -0.04 1.80 2.04 2c7fB1 ARG 89 HG2 0.01 0.08 -0.18 -0.04 1.67 1.54 2c7fB1 ARG 89 HG3 0.01 -0.01 -0.21 -0.04 1.67 1.43 2c7fB1 ARG 89 HD2 0.06 -0.12 -0.04 -0.04 3.22 3.08 2c7fB1 ARG 89 HD3 0.07 0.11 -0.05 -0.04 3.22 3.31 2c7fB1 PRO 90 HA -0.02 0.06 0.55 -0.51 4.44 4.53 2c7fB1 PRO 90 HB2 -0.05 0.04 -0.06 -0.04 2.28 2.17 2c7fB1 PRO 90 HB3 -0.05 -0.00 0.07 -0.04 2.02 2.00 2c7fB1 PRO 90 HG2 -0.05 -0.07 0.03 -0.04 2.03 1.89 2c7fB1 PRO 90 HG3 -0.08 -0.03 0.07 -0.04 2.03 1.95 2c7fB1 PRO 90 HD2 -0.02 0.15 0.31 -0.04 3.68 4.08 2c7fB1 PRO 90 HD3 -0.04 0.24 0.32 -0.04 3.65 4.13 2c7fB1 ARG 91 H -0.01 0.07 0.16 -0.55 8.46 8.12 2c7fB1 ARG 91 HA 0.03 0.28 0.82 -0.75 4.34 4.71 2c7fB1 ARG 91 HB2 -0.02 -0.05 0.12 -0.04 1.90 1.91 2c7fB1 ARG 91 HB3 0.00 -0.05 -0.08 -0.04 1.80 1.63 2c7fB1 ARG 91 HG2 -0.01 -0.09 -0.04 -0.04 1.67 1.49 2c7fB1 ARG 91 HG3 0.00 0.16 -0.01 -0.04 1.67 1.77 2c7fB1 ARG 91 HD2 -0.01 0.04 0.01 -0.04 3.22 3.22 2c7fB1 ARG 91 HD3 -0.01 -0.02 0.03 -0.04 3.22 3.17 2c7fB1 ARG 92 H 0.07 0.59 0.28 -0.55 8.46 8.85 2c7fB1 ARG 92 HA -0.02 0.18 0.95 -0.75 4.34 4.70 2c7fB1 ARG 92 HB2 0.13 -0.06 0.03 -0.04 1.90 1.96 2c7fB1 ARG 92 HB3 0.06 0.02 0.05 -0.04 1.80 1.89 2c7fB1 ARG 92 HG2 0.03 0.20 -0.30 -0.04 1.67 1.56 2c7fB1 ARG 92 HG3 0.04 -0.09 -0.03 -0.04 1.67 1.55 2c7fB1 ARG 92 HD2 -0.06 0.21 -0.25 -0.04 3.22 3.09 2c7fB1 ARG 92 HD3 -0.10 0.00 -0.11 -0.04 3.22 2.97 2c7fB1 LEU 93 H -0.04 0.16 0.16 -0.55 8.37 8.10 2c7fB1 LEU 93 HA 0.07 0.18 0.77 -0.75 4.35 4.62 2c7fB1 LEU 93 HB2 -0.07 -0.03 0.15 -0.04 1.64 1.65 2c7fB1 LEU 93 HB3 -0.25 0.01 -0.04 -0.04 1.64 1.33 2c7fB1 LEU 93 HG -0.26 0.00 0.06 -0.04 1.64 1.41 2c7fB1 LEU 93 HD13 -0.47 0.00 -0.01 -0.04 0.93 0.41 2c7fB1 LEU 93 HD23 -0.83 0.01 -0.08 -0.04 0.89 -0.06 2c7fB1 ASP 94 H 0.43 0.85 0.36 -0.55 8.40 9.49 2c7fB1 ASP 94 HA 0.23 0.14 0.88 -0.75 4.63 5.13 2c7fB1 ASP 94 HB2 0.46 0.07 0.05 -0.04 2.71 3.25 2c7fB1 ASP 94 HB3 0.39 0.04 0.16 -0.04 2.70 3.25 2c7fB1 LEU 95 H 0.17 0.29 0.08 -0.55 8.37 8.36 2c7fB1 LEU 95 HA 0.30 0.12 0.36 -0.75 4.35 4.37 2c7fB1 LEU 95 HB2 0.07 -0.02 0.03 -0.04 1.64 1.68 2c7fB1 LEU 95 HB3 0.12 0.05 0.06 -0.04 1.64 1.83 2c7fB1 LEU 95 HG 0.11 0.05 0.08 -0.04 1.64 1.84 2c7fB1 LEU 95 HD13 0.08 0.01 0.01 -0.04 0.93 0.98 2c7fB1 LEU 95 HD23 0.20 -0.01 -0.12 -0.04 0.89 0.91 2c7fB1 ALA 96 H 0.03 0.05 -0.15 -0.55 8.40 7.78 2c7fB1 ALA 96 HA -0.28 0.16 0.39 -0.75 4.34 3.85 2c7fB1 ALA 96 HB3 -0.37 0.02 -0.11 -0.04 1.41 0.90 2c7fB1 TRP 97 H 0.13 0.07 -0.31 -0.55 7.97 7.32 2c7fB1 TRP 97 HA -0.00 0.27 0.82 -0.75 4.62 4.96 2c7fB1 TRP 97 HB2 0.05 -0.00 0.03 -0.04 3.23 3.27 2c7fB1 TRP 97 HB3 -0.01 0.02 0.12 -0.04 3.23 3.32 2c7fB1 TRP 97 HD1 0.15 0.09 -0.06 -0.04 7.22 7.36 2c7fB1 TRP 97 HE1 0.11 -0.21 -0.10 -0.04 10.20 9.95 2c7fB1 TRP 97 HE3 -0.00 0.08 -0.02 -0.04 7.59 7.61 2c7fB1 TRP 97 HZ2 0.08 -0.12 -0.06 -0.04 7.44 7.29 2c7fB1 TRP 97 HZ3 0.07 0.02 -0.06 -0.04 7.13 7.11 2c7fB1 TRP 97 HH2 0.13 -0.00 -0.08 -0.04 7.19 7.19 2c7fB1 LYS 98 H -0.03 0.20 -0.25 -0.55 8.42 7.79 2c7fB1 LYS 98 HA -0.78 0.07 0.36 -0.75 4.32 3.21 2c7fB1 LYS 98 HB2 -0.24 0.01 -0.28 -0.04 1.87 1.32 2c7fB1 LYS 98 HB3 -0.58 -0.07 0.31 -0.04 1.79 1.41 2c7fB1 LYS 98 HG2 -0.39 -0.05 0.03 -0.04 1.46 1.00 2c7fB1 LYS 98 HG3 -1.10 -0.02 0.07 -0.04 1.46 0.37 2c7fB1 LYS 98 HD2 -0.11 -0.03 0.03 -0.04 1.69 1.54 2c7fB1 LYS 98 HD3 -0.19 0.09 0.06 -0.04 1.68 1.60 2c7fB1 LYS 98 HE2 -0.11 0.01 -0.10 -0.04 2.99 2.76 2c7fB1 LYS 98 HE3 -0.12 -0.05 -0.05 -0.04 2.99 2.73 2c7fB1 SER 99 H 0.23 0.24 0.03 -0.55 8.46 8.41 2c7fB1 SER 99 HA 0.17 0.19 1.03 -0.75 4.49 5.12 2c7fB1 SER 99 HB2 0.24 -0.15 -0.06 -0.04 3.95 3.93 2c7fB1 SER 99 HB3 0.14 0.11 0.14 -0.04 3.93 4.28 2c7fB1 ILE 100 H 0.23 0.65 0.14 -0.55 8.25 8.72 2c7fB1 ILE 100 HA 0.23 0.18 0.96 -0.75 4.18 4.80 2c7fB1 ILE 100 HB 0.11 -0.05 -0.02 -0.04 1.89 1.89 2c7fB1 ILE 100 HG12 0.33 -0.08 -0.01 -0.04 1.49 1.69 2c7fB1 ILE 100 HG13 0.12 0.08 0.04 -0.04 1.21 1.41 2c7fB1 ILE 100 HG23 0.04 -0.02 -0.25 -0.04 0.93 0.65 2c7fB1 ILE 100 HD13 -0.03 -0.03 -0.11 -0.04 0.88 0.67 2c7fB1 GLU 101 H 0.19 0.73 0.27 -0.55 8.60 9.24 2c7fB1 GLU 101 HA 0.14 0.11 0.88 -0.75 4.29 4.67 2c7fB1 GLU 101 HB2 0.40 -0.04 0.05 -0.04 2.09 2.46 2c7fB1 GLU 101 HB3 0.28 0.05 0.16 -0.04 1.99 2.44 2c7fB1 GLU 101 HG2 0.49 -0.00 0.01 -0.04 2.34 2.79 2c7fB1 GLU 101 HG3 0.27 0.05 -0.12 -0.04 2.34 2.50 2c7fB1 PRO 102 HA 0.00 0.15 0.47 -0.51 4.44 4.55 2c7fB1 PRO 102 HB2 -0.10 0.04 0.02 -0.04 2.28 2.20 2c7fB1 PRO 102 HB3 -0.12 0.06 0.07 -0.04 2.02 1.98 2c7fB1 PRO 102 HG2 -0.81 -0.11 0.07 -0.04 2.03 1.13 2c7fB1 PRO 102 HG3 -0.65 0.06 0.08 -0.04 2.03 1.48 2c7fB1 PRO 102 HD2 -0.14 -0.01 0.29 -0.04 3.68 3.77 2c7fB1 PRO 102 HD3 -0.17 0.40 0.30 -0.04 3.65 4.14 2c7fB1 ASN 103 H 0.19 -0.04 -0.23 -0.55 8.53 7.90 2c7fB1 ASN 103 HA 0.26 -0.04 0.21 -0.75 4.76 4.44 2c7fB1 ASN 103 HB2 0.10 0.34 -0.29 -0.04 2.88 2.99 2c7fB1 ASN 103 HB3 0.15 0.14 0.04 -0.04 2.79 3.07 2c7fB1 ASN 103 HD21 0.16 -0.23 -0.05 -0.04 7.03 6.86 2c7fB1 ASN 103 HD22 0.09 0.73 -0.00 -0.04 7.74 8.51 2c7fB1 GLN 104 H 0.21 -0.08 -0.42 -0.55 8.47 7.63 2c7fB1 GLN 104 HA 0.11 0.21 0.42 -0.75 4.36 4.34 2c7fB1 GLN 104 HB2 0.42 -0.14 -0.00 -0.04 2.15 2.38 2c7fB1 GLN 104 HB3 0.21 0.01 -0.03 -0.04 2.02 2.17 2c7fB1 GLN 104 HG2 0.09 0.14 -0.03 -0.04 2.40 2.56 2c7fB1 GLN 104 HG3 0.05 -0.03 -0.09 -0.04 2.39 2.27 2c7fB1 GLN 104 HE21 0.17 -0.04 -0.02 -0.04 6.97 7.04 2c7fB1 GLN 104 HE22 0.24 0.03 -0.03 -0.04 7.69 7.90 2c7fB1 VAL 105 H 0.26 -0.03 -0.16 -0.55 8.24 7.76 2c7fB1 VAL 105 HA -0.09 0.19 0.81 -0.75 4.13 4.29 2c7fB1 VAL 105 HB -0.33 -0.08 0.01 -0.04 2.12 1.68 2c7fB1 VAL 105 HG13 -0.04 -0.05 -0.23 -0.04 0.97 0.60 2c7fB1 VAL 105 HG23 -0.86 0.02 -0.17 -0.04 0.95 -0.10 2c7fB1 GLY 106 H 0.13 0.11 -0.03 -0.55 8.43 8.10 2c7fB1 GLY 106 HA2 0.32 -0.03 0.53 -0.51 4.01 4.32 2c7fB1 GLY 106 HA3 0.24 0.31 0.42 -0.51 4.01 4.47 2c7fB1 ILE 107 H 0.34 0.09 0.04 -0.55 8.25 8.18 2c7fB1 ILE 107 HA 0.22 0.01 0.39 -0.75 4.18 4.04 2c7fB1 ILE 107 HB 0.26 0.02 -0.07 -0.04 1.89 2.06 2c7fB1 ILE 107 HG12 0.23 0.09 -0.11 -0.04 1.49 1.66 2c7fB1 ILE 107 HG13 0.28 -1.16 0.05 -0.04 1.21 0.33 2c7fB1 ILE 107 HG23 0.32 0.13 -0.38 -0.04 0.93 0.96 2c7fB1 ILE 107 HD13 0.18 0.02 -0.18 -0.04 0.88 0.87 2c7fB1 ASN 108 H 0.30 0.16 0.12 -0.55 8.53 8.56 2c7fB1 ASN 108 HA 0.25 0.07 0.65 -0.75 4.76 4.97 2c7fB1 ASN 108 HB2 0.24 0.19 0.24 -0.04 2.88 3.51 2c7fB1 ASN 108 HB3 0.24 0.04 0.02 -0.04 2.79 3.05 2c7fB1 ASN 108 HD21 0.62 -0.00 0.07 -0.04 7.03 7.67 2c7fB1 ASN 108 HD22 0.32 0.02 0.11 -0.04 7.74 8.15 2c7fB1 GLU 109 H 0.17 0.34 -0.34 -0.55 8.60 8.23 2c7fB1 GLU 109 HA 0.23 0.23 0.44 -0.75 4.29 4.44 2c7fB1 GLU 109 HB2 0.10 -0.34 0.09 -0.04 2.09 1.89 2c7fB1 GLU 109 HB3 0.14 0.02 -0.06 -0.04 1.99 2.05 2c7fB1 GLU 109 HG2 -0.01 0.11 0.06 -0.04 2.34 2.46 2c7fB1 GLU 109 HG3 0.11 0.03 -0.01 -0.04 2.34 2.43 2c7fB1 PHE 110 H 0.17 -0.02 -0.15 -0.55 8.34 7.79 2c7fB1 PHE 110 HA -0.14 0.06 0.64 -0.75 4.62 4.43 2c7fB1 PHE 110 HB2 -0.41 -0.14 0.01 -0.04 3.15 2.56 2c7fB1 PHE 110 HB3 -0.49 0.14 -0.06 -0.04 3.06 2.62 2c7fB1 PHE 110 HD2 -0.58 0.01 -0.15 -0.04 7.28 6.52 2c7fB1 PHE 110 HE2 -0.38 0.05 -0.14 -0.04 7.38 6.86 2c7fB1 PHE 110 HZ -0.03 0.02 -0.12 -0.04 7.32 7.14 2c7fB1 ALA 111 H 0.04 0.52 -0.42 -0.55 8.40 7.99 2c7fB1 ALA 111 HA -0.10 0.02 0.44 -0.75 4.34 3.94 2c7fB1 ALA 111 HB3 -0.17 0.06 0.13 -0.04 1.41 1.39 2c7fB1 LYS 112 H 0.10 0.40 -0.16 -0.55 8.42 8.20 2c7fB1 LYS 112 HA 0.03 0.10 0.57 -0.75 4.32 4.27 2c7fB1 LYS 112 HB2 0.16 -0.05 0.08 -0.04 1.87 2.02 2c7fB1 LYS 112 HB3 0.14 0.04 0.09 -0.04 1.79 2.02 2c7fB1 LYS 112 HG2 0.23 0.22 0.15 -0.04 1.46 2.01 2c7fB1 LYS 112 HG3 0.42 0.11 0.03 -0.04 1.46 1.97 2c7fB1 LYS 112 HD2 0.24 -0.02 -0.01 -0.04 1.69 1.86 2c7fB1 LYS 112 HD3 0.27 -0.08 -0.03 -0.04 1.68 1.80 2c7fB1 LYS 112 HE2 0.12 -0.04 -0.00 -0.04 2.99 3.03 2c7fB1 LYS 112 HE3 0.15 0.02 0.01 -0.04 2.99 3.13 2c7fB1 TRP 113 H -0.08 0.26 -0.34 -0.55 7.97 7.27 2c7fB1 TRP 113 HA -0.73 0.04 0.58 -0.75 4.62 3.76 2c7fB1 TRP 113 HB2 -1.38 0.03 0.03 -0.04 3.23 1.87 2c7fB1 TRP 113 HB3 -0.90 0.07 0.07 -0.04 3.23 2.43 2c7fB1 TRP 113 HD1 -1.42 -0.03 -0.05 -0.04 7.22 5.68 2c7fB1 TRP 113 HE1 -0.22 0.00 -0.05 -0.04 10.20 9.90 2c7fB1 TRP 113 HE3 -1.19 0.07 -0.22 -0.04 7.59 6.21 2c7fB1 TRP 113 HZ2 -0.18 -0.03 -0.14 -0.04 7.44 7.06 2c7fB1 TRP 113 HZ3 -0.30 0.01 -0.15 -0.04 7.13 6.64 2c7fB1 TRP 113 HH2 -0.18 0.01 -0.11 -0.04 7.19 6.86 2c7fB1 CYS 114 H -0.31 0.53 -0.18 -0.55 8.50 8.00 2c7fB1 CYS 114 HA -0.55 -0.00 0.37 -0.75 4.58 3.64 2c7fB1 CYS 114 HB2 -0.21 0.14 0.11 -0.04 2.97 2.97 2c7fB1 CYS 114 HB3 -0.19 0.31 -0.14 -0.04 2.97 2.92 2c7fB1 LYS 115 H -0.17 0.32 -0.23 -0.55 8.42 7.79 2c7fB1 LYS 115 HA -0.11 0.10 0.49 -0.75 4.32 4.04 2c7fB1 LYS 115 HB2 -0.06 0.08 0.16 -0.04 1.87 2.01 2c7fB1 LYS 115 HB3 -0.05 -0.04 -0.02 -0.04 1.79 1.65 2c7fB1 LYS 115 HG2 -0.02 0.09 0.06 -0.04 1.46 1.55 2c7fB1 LYS 115 HG3 0.02 -0.05 0.01 -0.04 1.46 1.40 2c7fB1 LYS 115 HD2 -0.00 -0.05 0.01 -0.04 1.69 1.61 2c7fB1 LYS 115 HD3 -0.03 0.01 0.04 -0.04 1.68 1.66 2c7fB1 LYS 115 HE2 0.03 0.05 -0.01 -0.04 2.99 3.02 2c7fB1 LYS 115 HE3 0.05 -0.02 -0.02 -0.04 2.99 2.95 2c7fB1 LYS 116 H -0.28 0.29 -0.38 -0.55 8.42 7.48 2c7fB1 LYS 116 HA -0.16 0.05 0.40 -0.75 4.32 3.86 2c7fB1 LYS 116 HB2 -0.41 0.11 0.14 -0.04 1.87 1.67 2c7fB1 LYS 116 HB3 -0.21 -0.08 0.05 -0.04 1.79 1.51 2c7fB1 LYS 116 HG2 -0.03 -0.04 0.03 -0.04 1.46 1.37 2c7fB1 LYS 116 HG3 -0.05 0.19 0.09 -0.04 1.46 1.65 2c7fB1 LYS 116 HD2 0.18 -0.00 -0.01 -0.04 1.69 1.82 2c7fB1 LYS 116 HD3 0.11 -0.08 0.01 -0.04 1.68 1.68 2c7fB1 LYS 116 HE2 0.09 -0.00 0.01 -0.04 2.99 3.04 2c7fB1 LYS 116 HE3 0.17 0.08 -0.02 -0.04 2.99 3.18 2c7fB1 VAL 117 H -0.56 0.27 -0.37 -0.55 8.24 7.03 2c7fB1 VAL 117 HA -0.36 0.16 0.83 -0.75 4.13 4.01 2c7fB1 VAL 117 HB -0.51 -0.04 0.05 -0.04 2.12 1.58 2c7fB1 VAL 117 HG13 -1.16 -0.00 -0.06 -0.04 0.97 -0.28 2c7fB1 VAL 117 HG23 -0.87 0.03 -0.09 -0.04 0.95 -0.02 2c7fB1 ASN 118 H -0.23 0.24 -0.49 -0.55 8.53 7.51 2c7fB1 ASN 118 HA -0.12 0.03 0.29 -0.75 4.76 4.21 2c7fB1 ASN 118 HB2 -0.11 0.12 -0.03 -0.04 2.88 2.82 2c7fB1 ASN 118 HB3 -0.08 -0.06 0.14 -0.04 2.79 2.76 2c7fB1 ASN 118 HD21 -0.08 -0.06 -0.08 -0.04 7.03 6.77 2c7fB1 ASN 118 HD22 -0.09 0.03 -0.14 -0.04 7.74 7.50 2c7fB1 ALA 119 H -0.20 0.66 0.00 -0.55 8.40 8.32 2c7fB1 ALA 119 HA -0.07 0.28 0.88 -0.75 4.34 4.66 2c7fB1 ALA 119 HB3 -0.15 -0.01 -0.22 -0.04 1.41 0.98 2c7fB1 GLU 120 H -0.03 0.74 0.30 -0.55 8.60 9.06 2c7fB1 GLU 120 HA -0.03 0.15 0.87 -0.75 4.29 4.53 2c7fB1 GLU 120 HB2 -0.00 0.06 0.16 -0.04 2.09 2.26 2c7fB1 GLU 120 HB3 -0.01 -0.03 0.08 -0.04 1.99 2.00 2c7fB1 GLU 120 HG2 0.00 0.04 0.05 -0.04 2.34 2.39 2c7fB1 GLU 120 HG3 -0.01 0.04 -0.09 -0.04 2.34 2.23 2c7fB1 ILE 121 H -0.03 0.17 0.13 -0.55 8.25 7.98 2c7fB1 ILE 121 HA 0.06 0.21 0.73 -0.75 4.18 4.42 2c7fB1 ILE 121 HB -0.07 -0.00 0.09 -0.04 1.89 1.87 2c7fB1 ILE 121 HG12 0.18 0.01 -0.12 -0.04 1.49 1.53 2c7fB1 ILE 121 HG13 -0.02 0.05 -0.12 -0.04 1.21 1.08 2c7fB1 ILE 121 HG23 -0.06 -0.02 -0.27 -0.04 0.93 0.54 2c7fB1 ILE 121 HD13 -0.01 -0.02 -0.16 -0.04 0.88 0.65 2c7fB1 MET 122 H 0.04 0.78 0.18 -0.55 8.47 8.92 2c7fB1 MET 122 HA -0.14 0.32 0.77 -0.75 4.52 4.72 2c7fB1 MET 122 HB2 -0.01 0.02 -0.13 -0.04 2.15 1.98 2c7fB1 MET 122 HB3 0.01 -0.09 -0.07 -0.04 2.03 1.84 2c7fB1 MET 122 HG2 -0.01 -0.10 -0.31 -0.04 2.63 2.17 2c7fB1 MET 122 HG3 -0.02 0.11 -0.35 -0.04 2.56 2.25 2c7fB1 MET 122 HE3 -0.01 -0.02 -0.20 -0.04 2.10 1.83 2c7fB1 MET 123 H -0.55 0.43 0.11 -0.55 8.47 7.91 2c7fB1 MET 123 HA -0.12 0.25 0.64 -0.75 4.52 4.54 2c7fB1 MET 123 HB2 -0.71 -0.02 -0.02 -0.04 2.15 1.35 2c7fB1 MET 123 HB3 -1.71 0.00 0.06 -0.04 2.03 0.34 2c7fB1 MET 123 HG2 -0.41 -0.04 -0.12 -0.04 2.63 2.02 2c7fB1 MET 123 HG3 -0.09 0.10 -0.24 -0.04 2.56 2.29 2c7fB1 MET 123 HE3 -0.01 -0.01 -0.09 -0.04 2.10 1.94 2c7fB1 ALA 124 H -0.01 0.72 0.54 -0.55 8.40 9.11 2c7fB1 ALA 124 HA 0.13 0.16 1.03 -0.75 4.34 4.91 2c7fB1 ALA 124 HB3 0.06 -0.05 0.01 -0.04 1.41 1.39 2c7fB1 VAL 125 H 0.18 0.54 0.33 -0.55 8.24 8.75 2c7fB1 VAL 125 HA 0.16 0.15 0.88 -0.75 4.13 4.57 2c7fB1 VAL 125 HB 0.10 -0.02 -0.03 -0.04 2.12 2.13 2c7fB1 VAL 125 HG13 0.30 0.02 -0.11 -0.04 0.97 1.14 2c7fB1 VAL 125 HG23 0.13 0.06 -0.04 -0.04 0.95 1.07 2c7fB1 ASN 126 H 0.09 0.14 0.10 -0.55 8.53 8.31 2c7fB1 ASN 126 HA 0.03 0.06 0.57 -0.75 4.76 4.66 2c7fB1 ASN 126 HB2 -0.04 0.15 0.23 -0.04 2.88 3.18 2c7fB1 ASN 126 HB3 -0.08 -0.08 0.21 -0.04 2.79 2.80 2c7fB1 ASN 126 HD21 -0.38 -0.05 -0.22 -0.04 7.03 6.33 2c7fB1 ASN 126 HD22 -0.53 0.60 -0.02 -0.04 7.74 7.75 2c7fB1 LEU 127 H 0.06 0.15 0.17 -0.55 8.37 8.20 2c7fB1 LEU 127 HA 0.03 0.42 0.75 -0.75 4.35 4.79 2c7fB1 LEU 127 HB2 0.15 -0.02 -0.04 -0.04 1.64 1.69 2c7fB1 LEU 127 HB3 0.13 0.02 0.12 -0.04 1.64 1.87 2c7fB1 LEU 127 HG 0.10 -0.06 -0.43 -0.04 1.64 1.20 2c7fB1 LEU 127 HD13 0.13 0.02 -0.28 -0.04 0.93 0.76 2c7fB1 LEU 127 HD23 0.02 0.04 -0.14 -0.04 0.89 0.78 2c7fB1 GLY 128 H -0.01 -0.07 0.04 -0.55 8.43 7.85 2c7fB1 GLY 128 HA2 0.01 0.29 0.86 -0.51 4.01 4.66 2c7fB1 GLY 128 HA3 -0.01 0.16 0.49 -0.51 4.01 4.14 2c7fB1 THR 129 H -0.07 0.16 0.13 -0.55 8.28 7.95 2c7fB1 THR 129 HA -0.00 0.22 0.85 -0.75 4.39 4.69 2c7fB1 THR 129 HB 0.04 -0.02 0.11 -0.04 4.32 4.41 2c7fB1 THR 129 HG23 0.03 0.01 -0.05 -0.04 1.22 1.16 2c7fB1 ARG 130 H -0.07 0.01 -0.23 -0.55 8.46 7.62 2c7fB1 ARG 130 HA -0.03 0.17 0.80 -0.75 4.34 4.53 2c7fB1 ARG 130 HB2 -0.10 0.19 0.03 -0.04 1.90 1.99 2c7fB1 ARG 130 HB3 -0.04 -0.17 0.14 -0.04 1.80 1.68 2c7fB1 ARG 130 HG2 -0.16 0.09 -0.12 -0.04 1.67 1.43 2c7fB1 ARG 130 HG3 -0.47 -0.08 -0.31 -0.04 1.67 0.77 2c7fB1 ARG 130 HD2 -0.97 0.10 -0.01 -0.04 3.22 2.30 2c7fB1 ARG 130 HD3 -0.18 -0.02 0.05 -0.04 3.22 3.03 2c7fB1 GLY 131 H -0.00 -0.02 0.08 -0.55 8.43 7.94 2c7fB1 GLY 131 HA2 -0.01 0.33 0.86 -0.51 4.01 4.68 2c7fB1 GLY 131 HA3 -0.01 -0.02 0.29 -0.51 4.01 3.76 2c7fB1 ILE 132 H -0.03 0.20 0.14 -0.55 8.25 8.01 2c7fB1 ILE 132 HA -0.05 0.14 0.27 -0.75 4.18 3.79 2c7fB1 ILE 132 HB -0.04 -0.05 0.12 -0.04 1.89 1.88 2c7fB1 ILE 132 HG12 -0.07 0.06 -0.05 -0.04 1.49 1.39 2c7fB1 ILE 132 HG13 -0.05 -0.09 0.13 -0.04 1.21 1.17 2c7fB1 ILE 132 HG23 -0.07 0.03 -0.10 -0.04 0.93 0.75 2c7fB1 ILE 132 HD13 -0.06 0.03 -0.01 -0.04 0.88 0.80 2c7fB1 SER 133 H -0.02 0.12 0.01 -0.55 8.46 8.03 2c7fB1 SER 133 HA -0.03 0.14 0.33 -0.75 4.49 4.17 2c7fB1 SER 133 HB2 0.01 0.06 0.06 -0.04 3.95 4.04 2c7fB1 SER 133 HB3 -0.00 0.06 0.10 -0.04 3.93 4.04 2c7fB1 ASP 134 H 0.02 0.08 -0.29 -0.55 8.40 7.65 2c7fB1 ASP 134 HA 0.12 0.08 0.53 -0.75 4.63 4.60 2c7fB1 ASP 134 HB2 0.05 0.15 0.07 -0.04 2.71 2.94 2c7fB1 ASP 134 HB3 0.19 0.00 0.06 -0.04 2.70 2.91 2c7fB1 ALA 135 H -0.01 0.41 -0.12 -0.55 8.40 8.13 2c7fB1 ALA 135 HA -0.06 0.00 0.51 -0.75 4.34 4.03 2c7fB1 ALA 135 HB3 -0.06 0.06 0.04 -0.04 1.41 1.42 2c7fB1 CYS 136 H -0.09 0.45 -0.12 -0.55 8.50 8.18 2c7fB1 CYS 136 HA -0.18 0.10 0.47 -0.75 4.58 4.20 2c7fB1 CYS 136 HB2 -0.08 0.04 0.16 -0.04 2.97 3.05 2c7fB1 CYS 136 HB3 -0.09 -0.02 -0.04 -0.04 2.97 2.79 2c7fB1 ASN 137 H -0.13 0.48 -0.15 -0.55 8.53 8.19 2c7fB1 ASN 137 HA -0.42 -0.01 0.43 -0.75 4.76 4.01 2c7fB1 ASN 137 HB2 0.05 0.10 0.20 -0.04 2.88 3.18 2c7fB1 ASN 137 HB3 -0.61 -0.04 0.01 -0.04 2.79 2.11 2c7fB1 ASN 137 HD21 0.07 -0.04 -0.06 -0.04 7.03 6.96 2c7fB1 ASN 137 HD22 0.06 -0.04 -0.00 -0.04 7.74 7.71 2c7fB1 LEU 138 H -0.33 0.47 -0.18 -0.55 8.37 7.77 2c7fB1 LEU 138 HA -1.23 0.03 0.40 -0.75 4.35 2.79 2c7fB1 LEU 138 HB2 -1.38 -0.04 0.11 -0.04 1.64 0.29 2c7fB1 LEU 138 HB3 -0.33 0.11 0.10 -0.04 1.64 1.48 2c7fB1 LEU 138 HG 0.15 0.05 -0.19 -0.04 1.64 1.61 2c7fB1 LEU 138 HD13 -0.82 -0.02 -0.01 -0.04 0.93 0.03 2c7fB1 LEU 138 HD23 -0.05 -0.02 -0.03 -0.04 0.89 0.75 2c7fB1 LEU 139 H -0.33 0.47 -0.22 -0.55 8.37 7.74 2c7fB1 LEU 139 HA -0.33 0.04 0.46 -0.75 4.35 3.77 2c7fB1 LEU 139 HB2 -0.92 0.03 0.08 -0.04 1.64 0.78 2c7fB1 LEU 139 HB3 -0.36 0.06 0.16 -0.04 1.64 1.46 2c7fB1 LEU 139 HG -0.22 -0.03 -0.26 -0.04 1.64 1.09 2c7fB1 LEU 139 HD13 -0.65 -0.01 -0.02 -0.04 0.93 0.20 2c7fB1 LEU 139 HD23 -0.35 0.01 0.03 -0.04 0.89 0.53 2c7fB1 GLU 140 H -0.12 0.60 -0.13 -0.55 8.60 8.40 2c7fB1 GLU 140 HA 0.06 0.04 0.45 -0.75 4.29 4.09 2c7fB1 GLU 140 HB2 -0.03 0.09 0.10 -0.04 2.09 2.22 2c7fB1 GLU 140 HB3 0.04 0.07 0.13 -0.04 1.99 2.18 2c7fB1 GLU 140 HG2 0.09 -0.05 -0.26 -0.04 2.34 2.08 2c7fB1 GLU 140 HG3 -0.09 0.08 0.00 -0.04 2.34 2.28 2c7fB1 TYR 141 H 0.10 0.56 -0.18 -0.55 8.29 8.21 2c7fB1 TYR 141 HA 0.16 0.11 0.13 -0.75 4.56 4.21 2c7fB1 TYR 141 HB2 0.01 -0.02 0.09 -0.04 3.06 3.11 2c7fB1 TYR 141 HB3 -0.23 0.10 0.12 -0.04 2.98 2.94 2c7fB1 TYR 141 HD2 0.39 -0.01 -0.15 -0.04 7.15 7.34 2c7fB1 TYR 141 HE2 0.44 -0.04 -0.11 -0.04 6.85 7.10 2c7fB1 CYS 142 H 0.24 0.37 -0.31 -0.55 8.50 8.25 2c7fB1 CYS 142 HA 0.38 0.06 0.48 -0.75 4.58 4.74 2c7fB1 CYS 142 HB2 0.55 0.10 0.13 -0.04 2.97 3.71 2c7fB1 CYS 142 HB3 0.43 -0.14 0.00 -0.04 2.97 3.22 2c7fB1 ASN 143 H 0.17 0.55 0.00 -0.55 8.53 8.70 2c7fB1 ASN 143 HA 0.14 0.01 0.83 -0.75 4.76 4.98 2c7fB1 ASN 143 HB2 0.11 0.15 0.06 -0.04 2.88 3.15 2c7fB1 ASN 143 HB3 0.11 0.00 -0.03 -0.04 2.79 2.83 2c7fB1 ASN 143 HD21 0.45 0.52 -0.07 -0.04 7.03 7.89 2c7fB1 ASN 143 HD22 0.18 -0.03 -0.08 -0.04 7.74 7.77 2c7fB1 HIS 144 H 0.16 0.28 0.11 -0.55 8.41 8.42 2c7fB1 HIS 144 HA 0.02 0.14 0.60 -0.75 4.63 4.64 2c7fB1 HIS 144 HB2 0.02 -0.06 0.16 -0.04 3.26 3.33 2c7fB1 HIS 144 HB3 0.03 -0.06 0.06 -0.04 3.20 3.18 2c7fB1 HIS 144 HD2 0.01 0.10 0.04 -0.04 6.97 7.08 2c7fB1 HIS 144 HE1 0.01 0.10 0.01 -0.04 7.75 7.83 2c7fB1 PRO 145 HA -0.05 0.13 0.38 -0.51 4.44 4.39 2c7fB1 PRO 145 HB2 -0.10 -0.02 0.11 -0.04 2.28 2.22 2c7fB1 PRO 145 HB3 -0.07 0.02 0.11 -0.04 2.02 2.04 2c7fB1 PRO 145 HG2 -0.21 -0.00 0.13 -0.04 2.03 1.90 2c7fB1 PRO 145 HG3 -0.13 0.08 0.15 -0.04 2.03 2.09 2c7fB1 PRO 145 HD2 -1.11 0.04 0.23 -0.04 3.68 2.79 2c7fB1 PRO 145 HD3 -0.36 0.22 0.34 -0.04 3.65 3.80 2c7fB1 GLY 146 H 0.12 0.22 -0.02 -0.55 8.43 8.21 2c7fB1 GLY 146 HA2 0.08 -0.04 0.19 -0.51 4.01 3.73 2c7fB1 GLY 146 HA3 0.03 0.15 0.37 -0.51 4.01 4.05 2c7fB1 GLY 147 H 0.03 0.15 0.11 -0.55 8.43 8.18 2c7fB1 GLY 147 HA2 0.02 0.03 0.31 -0.51 4.01 3.86 2c7fB1 GLY 147 HA3 0.06 0.18 0.55 -0.51 4.01 4.29 2c7fB1 SER 148 H 0.03 0.06 -0.06 -0.55 8.46 7.94 2c7fB1 SER 148 HA -0.02 0.22 0.56 -0.75 4.49 4.50 2c7fB1 SER 148 HB2 -0.06 -0.07 0.12 -0.04 3.95 3.91 2c7fB1 SER 148 HB3 -0.12 0.21 -0.11 -0.04 3.93 3.87 2c7fB1 LYS 149 H -0.01 0.22 0.12 -0.55 8.42 8.19 2c7fB1 LYS 149 HA -0.09 0.10 0.24 -0.75 4.32 3.82 2c7fB1 LYS 149 HB2 -0.07 0.05 0.14 -0.04 1.87 1.94 2c7fB1 LYS 149 HB3 -0.08 -0.04 0.14 -0.04 1.79 1.77 2c7fB1 LYS 149 HG2 -0.68 0.02 -0.22 -0.04 1.46 0.53 2c7fB1 LYS 149 HG3 -0.22 0.03 0.01 -0.04 1.46 1.24 2c7fB1 LYS 149 HD2 -0.10 0.02 0.01 -0.04 1.69 1.57 2c7fB1 LYS 149 HD3 -0.23 -0.02 -0.01 -0.04 1.68 1.38 2c7fB1 LYS 149 HE2 -0.44 0.00 -0.05 -0.04 2.99 2.46 2c7fB1 LYS 149 HE3 -0.16 0.02 -0.02 -0.04 2.99 2.79 2c7fB1 TYR 150 H 0.18 0.08 -0.10 -0.55 8.29 7.90 2c7fB1 TYR 150 HA 0.20 0.16 0.52 -0.75 4.56 4.68 2c7fB1 TYR 150 HB2 0.13 -0.02 0.02 -0.04 3.06 3.15 2c7fB1 TYR 150 HB3 0.34 0.10 0.03 -0.04 2.98 3.41 2c7fB1 TYR 150 HD2 0.39 0.01 0.00 -0.04 7.15 7.51 2c7fB1 TYR 150 HE2 0.16 0.01 -0.02 -0.04 6.85 6.96 2c7fB1 SER 151 H 0.09 -0.03 -0.26 -0.55 8.46 7.71 2c7fB1 SER 151 HA -0.02 0.35 0.58 -0.75 4.49 4.65 2c7fB1 SER 151 HB2 0.10 0.28 -0.30 -0.04 3.95 3.99 2c7fB1 SER 151 HB3 0.14 0.10 -0.09 -0.04 3.93 4.05 2c7fB1 ASP 152 H -0.00 0.53 -0.03 -0.55 8.40 8.34 2c7fB1 ASP 152 HA -0.04 0.09 0.53 -0.75 4.63 4.46 2c7fB1 ASP 152 HB2 -0.04 0.17 0.04 -0.04 2.71 2.84 2c7fB1 ASP 152 HB3 -0.04 0.01 -0.02 -0.04 2.70 2.62 2c7fB1 MET 153 H -0.05 0.16 -0.45 -0.55 8.47 7.58 2c7fB1 MET 153 HA -0.20 0.02 0.45 -0.75 4.52 4.04 2c7fB1 MET 153 HB2 0.01 0.17 0.24 -0.04 2.15 2.53 2c7fB1 MET 153 HB3 0.22 0.13 0.07 -0.04 2.03 2.42 2c7fB1 MET 153 HG2 0.01 -0.00 -0.02 -0.04 2.63 2.58 2c7fB1 MET 153 HG3 -0.04 -0.02 0.05 -0.04 2.56 2.51 2c7fB1 MET 153 HE3 -0.19 0.02 -0.06 -0.04 2.10 1.83 2c7fB1 ARG 154 H -0.34 0.37 -0.22 -0.55 8.46 7.72 2c7fB1 ARG 154 HA -0.28 -0.05 0.51 -0.75 4.34 3.76 2c7fB1 ARG 154 HB2 -1.24 -0.01 0.21 -0.04 1.90 0.82 2c7fB1 ARG 154 HB3 -0.34 0.24 0.20 -0.04 1.80 1.86 2c7fB1 ARG 154 HG2 -0.13 -0.04 -0.04 -0.04 1.67 1.41 2c7fB1 ARG 154 HG3 -0.18 -0.20 0.05 -0.04 1.67 1.30 2c7fB1 ARG 154 HD2 -0.42 -0.14 -0.00 -0.04 3.22 2.62 2c7fB1 ARG 154 HD3 -0.21 0.28 0.15 -0.04 3.22 3.40 2c7fB1 ILE 155 H -0.13 0.34 -0.14 -0.55 8.25 7.76 2c7fB1 ILE 155 HA -0.04 0.17 0.22 -0.75 4.18 3.78 2c7fB1 ILE 155 HB -0.05 -0.00 0.19 -0.04 1.89 1.99 2c7fB1 ILE 155 HG12 -0.04 0.08 0.16 -0.04 1.49 1.66 2c7fB1 ILE 155 HG13 -0.07 0.19 0.16 -0.04 1.21 1.45 2c7fB1 ILE 155 HG23 -0.01 -0.04 -0.09 -0.04 0.93 0.74 2c7fB1 ILE 155 HD13 -0.02 -0.02 0.10 -0.04 0.88 0.91 2c7fB1 LYS 156 H -0.10 0.54 -0.18 -0.55 8.42 8.13 2c7fB1 LYS 156 HA 0.01 0.01 0.45 -0.75 4.32 4.03 2c7fB1 LYS 156 HB2 -0.06 0.01 0.12 -0.04 1.87 1.90 2c7fB1 LYS 156 HB3 -0.17 0.11 0.13 -0.04 1.79 1.82 2c7fB1 LYS 156 HG2 0.08 -0.01 -0.08 -0.04 1.46 1.41 2c7fB1 LYS 156 HG3 0.03 -0.03 0.08 -0.04 1.46 1.51 2c7fB1 LYS 156 HD2 0.02 -0.04 0.00 -0.04 1.69 1.63 2c7fB1 LYS 156 HD3 -0.01 -0.01 -0.00 -0.04 1.68 1.62 2c7fB1 LYS 156 HE2 0.00 -0.05 -0.02 -0.04 2.99 2.89 2c7fB1 LYS 156 HE3 -0.02 0.05 -0.00 -0.04 2.99 2.98 2c7fB1 HIS 157 H -0.04 0.36 -0.37 -0.55 8.41 7.81 2c7fB1 HIS 157 HA 0.10 0.03 0.51 -0.75 4.63 4.51 2c7fB1 HIS 157 HB2 0.20 0.12 0.19 -0.04 3.26 3.73 2c7fB1 HIS 157 HB3 0.21 -0.12 0.20 -0.04 3.20 3.45 2c7fB1 HIS 157 HD2 0.11 0.01 -0.10 -0.04 6.97 6.94 2c7fB1 HIS 157 HE1 0.34 -0.05 -0.10 -0.04 7.75 7.90 2c7fB1 GLY 158 H 0.09 0.35 -0.58 -0.55 8.43 7.74 2c7fB1 GLY 158 HA2 0.07 0.00 0.22 -0.51 4.01 3.79 2c7fB1 GLY 158 HA3 0.11 0.10 0.69 -0.51 4.01 4.41 2c7fB1 VAL 159 H 0.07 0.49 -0.03 -0.55 8.24 8.22 2c7fB1 VAL 159 HA 0.04 0.09 0.95 -0.75 4.13 4.46 2c7fB1 VAL 159 HB -0.01 0.02 0.07 -0.04 2.12 2.15 2c7fB1 VAL 159 HG13 -0.12 0.05 -0.07 -0.04 0.97 0.78 2c7fB1 VAL 159 HG23 0.22 -0.02 -0.13 -0.04 0.95 0.98 2c7fB1 LYS 160 H 0.01 0.12 0.05 -0.55 8.42 8.04 2c7fB1 LYS 160 HA -0.02 0.05 0.38 -0.75 4.32 3.98 2c7fB1 LYS 160 HB2 0.01 -0.00 0.10 -0.04 1.87 1.93 2c7fB1 LYS 160 HB3 -0.00 -0.03 0.07 -0.04 1.79 1.79 2c7fB1 LYS 160 HG2 -0.01 0.00 0.05 -0.04 1.46 1.46 2c7fB1 LYS 160 HG3 0.00 -0.04 0.01 -0.04 1.46 1.39 2c7fB1 LYS 160 HD2 -0.01 0.08 -0.26 -0.04 1.69 1.46 2c7fB1 LYS 160 HD3 -0.01 -0.03 -0.03 -0.04 1.68 1.57 2c7fB1 LYS 160 HE2 0.00 -0.00 -0.03 -0.04 2.99 2.92 2c7fB1 LYS 160 HE3 -0.00 -0.01 -0.05 -0.04 2.99 2.89 2c7fB1 GLU 161 H -0.02 -0.03 0.00 -0.55 8.60 8.01 2c7fB1 GLU 161 HA -0.03 0.15 0.62 -0.75 4.29 4.27 2c7fB1 GLU 161 HB2 -0.01 -0.07 0.05 -0.04 2.09 2.02 2c7fB1 GLU 161 HB3 -0.01 0.15 0.00 -0.04 1.99 2.09 2c7fB1 GLU 161 HG2 -0.00 -0.12 0.01 -0.04 2.34 2.19 2c7fB1 GLU 161 HG3 0.00 -0.01 0.01 -0.04 2.34 2.30 2c7fB1 PRO 162 HA -0.14 0.11 0.48 -0.51 4.44 4.39 2c7fB1 PRO 162 HB2 0.03 -0.10 0.00 -0.04 2.28 2.17 2c7fB1 PRO 162 HB3 -0.00 0.13 -0.34 -0.04 2.02 1.77 2c7fB1 PRO 162 HG2 -0.00 -0.04 0.04 -0.04 2.03 1.99 2c7fB1 PRO 162 HG3 -0.02 0.00 -0.04 -0.04 2.03 1.93 2c7fB1 PRO 162 HD2 -0.02 -0.03 0.23 -0.04 3.68 3.81 2c7fB1 PRO 162 HD3 -0.04 0.27 0.22 -0.04 3.65 4.06 2c7fB1 HIS 163 H -0.07 0.35 0.29 -0.55 8.41 8.43 2c7fB1 HIS 163 HA 0.06 0.08 0.39 -0.75 4.63 4.41 2c7fB1 HIS 163 HB2 0.13 -0.06 0.08 -0.04 3.26 3.37 2c7fB1 HIS 163 HB3 0.07 -0.06 0.02 -0.04 3.20 3.19 2c7fB1 HIS 163 HD2 0.24 -0.04 0.02 -0.04 6.97 7.14 2c7fB1 HIS 163 HE1 0.13 -0.01 0.05 -0.04 7.75 7.88 2c7fB1 ASN 164 H 0.16 0.26 -0.23 -0.55 8.53 8.17 2c7fB1 ASN 164 HA 0.16 0.01 0.20 -0.75 4.76 4.38 2c7fB1 ASN 164 HB2 0.08 0.12 -0.29 -0.04 2.88 2.75 2c7fB1 ASN 164 HB3 0.09 -0.05 0.15 -0.04 2.79 2.94 2c7fB1 ASN 164 HD21 0.03 -0.03 -0.02 -0.04 7.03 6.97 2c7fB1 ASN 164 HD22 0.04 -0.02 -0.04 -0.04 7.74 7.68 2c7fB1 ILE 165 H 0.27 0.01 -0.21 -0.55 8.25 7.77 2c7fB1 ILE 165 HA 0.03 0.09 0.56 -0.75 4.18 4.10 2c7fB1 ILE 165 HB 0.03 -0.05 0.02 -0.04 1.89 1.85 2c7fB1 ILE 165 HG12 -0.15 0.00 -0.03 -0.04 1.49 1.27 2c7fB1 ILE 165 HG13 0.06 0.03 -0.19 -0.04 1.21 1.07 2c7fB1 ILE 165 HG23 -0.79 0.06 -0.15 -0.04 0.93 0.01 2c7fB1 ILE 165 HD13 -0.16 -0.02 -0.07 -0.04 0.88 0.59 2c7fB1 LYS 166 H 0.05 0.15 0.23 -0.55 8.42 8.30 2c7fB1 LYS 166 HA 0.22 0.13 0.43 -0.75 4.32 4.35 2c7fB1 LYS 166 HB2 0.08 -0.03 0.12 -0.04 1.87 2.00 2c7fB1 LYS 166 HB3 0.12 0.01 0.01 -0.04 1.79 1.88 2c7fB1 LYS 166 HG2 0.09 0.01 -0.05 -0.04 1.46 1.47 2c7fB1 LYS 166 HG3 0.10 0.18 -0.07 -0.04 1.46 1.63 2c7fB1 LYS 166 HD2 0.05 -0.02 0.05 -0.04 1.69 1.73 2c7fB1 LYS 166 HD3 0.06 -0.03 0.00 -0.04 1.68 1.66 2c7fB1 LYS 166 HE2 0.05 -0.04 -0.01 -0.04 2.99 2.95 2c7fB1 LYS 166 HE3 0.06 0.14 0.03 -0.04 2.99 3.18 2c7fB1 VAL 167 H 0.01 0.15 0.11 -0.55 8.24 7.96 2c7fB1 VAL 167 HA 0.26 0.36 1.07 -0.75 4.13 5.06 2c7fB1 VAL 167 HB 0.01 -0.06 0.03 -0.04 2.12 2.07 2c7fB1 VAL 167 HG13 0.10 -0.01 -0.25 -0.04 0.97 0.77 2c7fB1 VAL 167 HG23 0.09 0.01 -0.16 -0.04 0.95 0.85 2c7fB1 TRP 168 H 0.40 0.71 0.34 -0.55 7.97 8.87 2c7fB1 TRP 168 HA 0.07 0.24 0.98 -0.75 4.62 5.16 2c7fB1 TRP 168 HB2 0.06 0.02 0.02 -0.04 3.23 3.28 2c7fB1 TRP 168 HB3 0.05 -0.03 -0.05 -0.04 3.23 3.15 2c7fB1 TRP 168 HD1 0.06 0.08 -0.51 -0.04 7.22 6.81 2c7fB1 TRP 168 HE1 0.05 0.51 -0.15 -0.04 10.20 10.58 2c7fB1 TRP 168 HE3 0.01 0.01 -0.16 -0.04 7.59 7.40 2c7fB1 TRP 168 HZ2 0.05 -0.01 -0.05 -0.04 7.44 7.39 2c7fB1 TRP 168 HZ3 -0.09 -0.08 -0.20 -0.04 7.13 6.72 2c7fB1 TRP 168 HH2 -0.05 0.06 -0.23 -0.04 7.19 6.93 2c7fB1 CYS 169 H 0.18 0.77 0.26 -0.55 8.50 9.17 2c7fB1 CYS 169 HA 0.18 0.12 0.94 -0.75 4.58 5.07 2c7fB1 CYS 169 HB2 0.10 -0.10 0.11 -0.04 2.97 3.04 2c7fB1 CYS 169 HB3 0.11 0.14 -0.05 -0.04 2.97 3.14 2c7fB1 LEU 170 H 0.20 0.70 0.23 -0.55 8.37 8.95 2c7fB1 LEU 170 HA 0.17 0.01 0.53 -0.75 4.35 4.30 2c7fB1 LEU 170 HB2 0.23 -0.02 0.28 -0.04 1.64 2.09 2c7fB1 LEU 170 HB3 0.13 -0.05 0.09 -0.04 1.64 1.77 2c7fB1 LEU 170 HG 0.15 0.02 -0.06 -0.04 1.64 1.71 2c7fB1 LEU 170 HD13 0.05 0.01 -0.13 -0.04 0.93 0.82 2c7fB1 LEU 170 HD23 0.05 -0.00 -0.14 -0.04 0.89 0.75 2c7fB1 GLY 171 H 0.16 0.26 0.21 -0.55 8.43 8.51 2c7fB1 GLY 171 HA2 0.11 0.19 0.37 -0.51 4.01 4.17 2c7fB1 GLY 171 HA3 0.15 0.07 0.51 -0.51 4.01 4.23 2c7fB1 ASN 172 H 0.06 0.12 0.04 -0.55 8.53 8.20 2c7fB1 ASN 172 HA 0.09 0.18 0.68 -0.75 4.76 4.96 2c7fB1 ASN 172 HB2 0.11 0.05 -0.21 -0.04 2.88 2.79 2c7fB1 ASN 172 HB3 0.09 0.02 -0.15 -0.04 2.79 2.71 2c7fB1 ASN 172 HD21 0.27 -0.05 -0.16 -0.04 7.03 7.05 2c7fB1 ASN 172 HD22 0.17 0.11 -0.29 -0.04 7.74 7.68 2c7fB1 ALA 173 H 0.10 0.10 -0.02 -0.55 8.40 8.04 2c7fB1 ALA 173 HA -0.21 0.10 0.28 -0.75 4.34 3.77 2c7fB1 ALA 173 HB3 -0.13 -0.02 -0.04 -0.04 1.41 1.18 2c7fB1 MET 174 H -0.32 0.15 0.13 -0.55 8.47 7.88 2c7fB1 MET 174 HA -0.16 0.21 0.89 -0.75 4.52 4.71 2c7fB1 MET 174 HB2 -0.08 -0.00 0.10 -0.04 2.15 2.12 2c7fB1 MET 174 HB3 -0.03 -0.15 0.29 -0.04 2.03 2.10 2c7fB1 MET 174 HG2 -0.04 0.04 -0.14 -0.04 2.63 2.46 2c7fB1 MET 174 HG3 -0.05 0.17 -0.25 -0.04 2.56 2.39 2c7fB1 MET 174 HE3 -0.03 -0.04 -0.02 -0.04 2.10 1.97 2c7fB1 ASP 175 H -0.58 0.02 -0.04 -0.55 8.40 7.25 2c7fB1 ASP 175 HA -0.16 0.36 0.75 -0.75 4.63 4.83 2c7fB1 ASP 175 HB2 -0.37 0.00 0.13 -0.04 2.71 2.42 2c7fB1 ASP 175 HB3 -1.72 0.03 0.04 -0.04 2.70 1.01 2c7fB1 GLY 176 H -0.56 0.05 -0.22 -0.55 8.43 7.16 2c7fB1 GLY 176 HA2 -1.07 0.16 0.52 -0.51 4.01 3.10 2c7fB1 GLY 176 HA3 -2.47 -0.03 0.26 -0.51 4.01 1.26 2c7fB1 PRO 177 HA -0.49 0.18 0.52 -0.51 4.44 4.14 2c7fB1 PRO 177 HB2 -0.09 0.05 0.06 -0.04 2.28 2.27 2c7fB1 PRO 177 HB3 -0.24 0.05 0.11 -0.04 2.02 1.90 2c7fB1 PRO 177 HG2 0.15 0.03 -0.00 -0.04 2.03 2.16 2c7fB1 PRO 177 HG3 -0.03 0.05 0.07 -0.04 2.03 2.09 2c7fB1 PRO 177 HD2 -0.59 0.01 0.22 -0.04 3.68 3.28 2c7fB1 PRO 177 HD3 -0.34 0.22 0.23 -0.04 3.65 3.73 2c7fB1 TRP 178 H -0.89 -0.05 -0.51 -0.55 7.97 5.97 2c7fB1 TRP 178 HA -0.07 0.22 0.68 -0.75 4.62 4.69 2c7fB1 TRP 178 HB2 -0.10 0.05 0.05 -0.04 3.23 3.19 2c7fB1 TRP 178 HB3 -0.07 0.00 -0.02 -0.04 3.23 3.10 2c7fB1 TRP 178 HD1 -0.12 0.02 -0.35 -0.04 7.22 6.73 2c7fB1 TRP 178 HE1 0.00 -0.01 -0.09 -0.04 10.20 10.06 2c7fB1 TRP 178 HE3 -0.06 0.06 -0.04 -0.04 7.59 7.51 2c7fB1 TRP 178 HZ2 -0.01 -0.02 -0.05 -0.04 7.44 7.31 2c7fB1 TRP 178 HZ3 -0.06 0.05 -0.00 -0.04 7.13 7.08 2c7fB1 TRP 178 HH2 -0.06 -0.05 -0.05 -0.04 7.19 7.00 2c7fB1 GLN 179 H -0.53 0.29 -0.28 -0.55 8.47 7.41 2c7fB1 GLN 179 HA -0.01 0.13 0.84 -0.75 4.36 4.57 2c7fB1 GLN 179 HB2 -0.45 -0.15 -0.02 -0.04 2.15 1.49 2c7fB1 GLN 179 HB3 -0.17 0.09 -0.11 -0.04 2.02 1.79 2c7fB1 GLN 179 HG2 0.00 -0.00 0.06 -0.04 2.40 2.42 2c7fB1 GLN 179 HG3 0.12 -0.11 -0.03 -0.04 2.39 2.32 2c7fB1 GLN 179 HE21 -0.03 0.03 -0.24 -0.04 6.97 6.69 2c7fB1 GLN 179 HE22 -0.06 0.03 -0.21 -0.04 7.69 7.40 2c7fB1 VAL 180 H -0.02 0.09 0.08 -0.55 8.24 7.84 2c7fB1 VAL 180 HA 0.00 0.06 0.51 -0.75 4.13 3.94 2c7fB1 VAL 180 HB 0.02 0.03 0.04 -0.04 2.12 2.17 2c7fB1 VAL 180 HG13 0.00 -0.02 -0.05 -0.04 0.97 0.86 2c7fB1 VAL 180 HG23 0.02 0.02 -0.11 -0.04 0.95 0.84 2c7fB1 GLY 181 H 0.02 0.11 0.16 -0.55 8.43 8.17 2c7fB1 GLY 181 HA2 0.02 0.08 0.30 -0.51 4.01 3.90 2c7fB1 GLY 181 HA3 0.01 -0.01 0.53 -0.51 4.01 4.02 2c7fB1 HIS 182 H 0.07 0.06 -0.01 -0.55 8.41 7.99 2c7fB1 HIS 182 HA -0.09 0.07 0.49 -0.75 4.63 4.35 2c7fB1 HIS 182 HB2 -0.18 0.18 0.08 -0.04 3.26 3.30 2c7fB1 HIS 182 HB3 -0.08 -0.11 0.11 -0.04 3.20 3.08 2c7fB1 HIS 182 HD2 -0.03 -0.07 -0.17 -0.04 6.97 6.66 2c7fB1 HIS 182 HE1 -0.04 -0.06 -0.05 -0.04 7.75 7.55 2c7fB1 LYS 183 H -0.24 0.51 0.35 -0.55 8.42 8.49 2c7fB1 LYS 183 HA -0.17 0.13 0.93 -0.75 4.32 4.46 2c7fB1 LYS 183 HB2 0.16 -0.08 0.03 -0.04 1.87 1.95 2c7fB1 LYS 183 HB3 0.03 -0.15 0.08 -0.04 1.79 1.70 2c7fB1 LYS 183 HG2 0.01 0.31 -0.15 -0.04 1.46 1.58 2c7fB1 LYS 183 HG3 0.13 -0.02 0.02 -0.04 1.46 1.55 2c7fB1 LYS 183 HD2 0.02 -0.16 -0.13 -0.04 1.69 1.37 2c7fB1 LYS 183 HD3 -0.01 0.01 -0.05 -0.04 1.68 1.58 2c7fB1 LYS 183 HE2 0.07 0.04 0.06 -0.04 2.99 3.13 2c7fB1 LYS 183 HE3 0.01 -0.12 -0.02 -0.04 2.99 2.83 2c7fB1 THR 184 H -0.08 0.11 0.18 -0.55 8.28 7.94 2c7fB1 THR 184 HA 0.10 0.22 0.80 -0.75 4.39 4.76 2c7fB1 THR 184 HB 0.03 -0.03 0.19 -0.04 4.32 4.47 2c7fB1 THR 184 HG23 0.03 0.06 0.05 -0.04 1.22 1.32 2c7fB1 MET 185 H 0.07 0.20 0.17 -0.55 8.47 8.36 2c7fB1 MET 185 HA -1.26 0.12 0.38 -0.75 4.52 3.00 2c7fB1 MET 185 HB2 -0.36 0.10 0.18 -0.04 2.15 2.04 2c7fB1 MET 185 HB3 -0.02 -0.04 0.21 -0.04 2.03 2.14 2c7fB1 MET 185 HG2 0.04 -0.06 0.16 -0.04 2.63 2.72 2c7fB1 MET 185 HG3 -0.03 0.08 -0.03 -0.04 2.56 2.55 2c7fB1 MET 185 HE3 0.05 0.03 -0.03 -0.04 2.10 2.11 2c7fB1 ASP 186 H -0.07 0.05 -0.17 -0.55 8.40 7.67 2c7fB1 ASP 186 HA -0.01 0.18 0.54 -0.75 4.63 4.59 2c7fB1 ASP 186 HB2 -0.02 -0.06 0.06 -0.04 2.71 2.65 2c7fB1 ASP 186 HB3 -0.02 0.09 -0.02 -0.04 2.70 2.71 2c7fB1 GLU 187 H -0.10 -0.01 -0.19 -0.55 8.60 7.74 2c7fB1 GLU 187 HA -0.14 0.11 0.48 -0.75 4.29 3.98 2c7fB1 GLU 187 HB2 -0.06 -0.11 0.25 -0.04 2.09 2.12 2c7fB1 GLU 187 HB3 -0.05 0.12 0.03 -0.04 1.99 2.06 2c7fB1 GLU 187 HG2 -0.05 0.08 0.07 -0.04 2.34 2.39 2c7fB1 GLU 187 HG3 -0.05 -0.06 0.06 -0.04 2.34 2.24 2c7fB1 TYR 188 H -0.09 0.60 -0.07 -0.55 8.29 8.17 2c7fB1 TYR 188 HA -0.11 0.10 0.47 -0.75 4.56 4.26 2c7fB1 TYR 188 HB2 0.01 0.02 0.02 -0.04 3.06 3.07 2c7fB1 TYR 188 HB3 -0.50 0.00 0.02 -0.04 2.98 2.46 2c7fB1 TYR 188 HD2 -0.17 0.02 -0.05 -0.04 7.15 6.91 2c7fB1 TYR 188 HE2 0.12 0.13 0.00 -0.04 6.85 7.05 2c7fB1 GLY 189 H -0.33 0.44 -0.21 -0.55 8.43 7.79 2c7fB1 GLY 189 HA2 -0.33 0.02 0.45 -0.51 4.01 3.64 2c7fB1 GLY 189 HA3 -0.27 0.12 0.31 -0.51 4.01 3.67 2c7fB1 ARG 190 H -0.57 0.44 -0.29 -0.55 8.46 7.49 2c7fB1 ARG 190 HA -0.45 0.07 0.46 -0.75 4.34 3.67 2c7fB1 ARG 190 HB2 -0.32 0.11 0.18 -0.04 1.90 1.84 2c7fB1 ARG 190 HB3 -0.25 -0.05 0.01 -0.04 1.80 1.47 2c7fB1 ARG 190 HG2 -1.00 0.05 0.07 -0.04 1.67 0.76 2c7fB1 ARG 190 HG3 -0.31 -0.05 0.03 -0.04 1.67 1.30 2c7fB1 ARG 190 HD2 -0.35 0.02 0.02 -0.04 3.22 2.86 2c7fB1 ARG 190 HD3 -0.13 0.00 0.01 -0.04 3.22 3.06 2c7fB1 ILE 191 H -0.25 0.48 -0.03 -0.55 8.25 7.89 2c7fB1 ILE 191 HA -0.14 -0.02 0.48 -0.75 4.18 3.75 2c7fB1 ILE 191 HB -0.09 0.04 0.14 -0.04 1.89 1.93 2c7fB1 ILE 191 HG12 -0.01 0.13 0.03 -0.04 1.49 1.60 2c7fB1 ILE 191 HG13 -0.06 -0.08 0.02 -0.04 1.21 1.05 2c7fB1 ILE 191 HG23 -0.05 0.04 0.08 -0.04 0.93 0.95 2c7fB1 ILE 191 HD13 -0.05 -0.05 0.06 -0.04 0.88 0.79 2c7fB1 ALA 192 H -0.47 0.77 -0.10 -0.55 8.40 8.06 2c7fB1 ALA 192 HA -0.20 -0.01 0.48 -0.75 4.34 3.86 2c7fB1 ALA 192 HB3 -0.66 0.02 0.08 -0.04 1.41 0.81 2c7fB1 GLU 193 H -0.21 0.50 -0.18 -0.55 8.60 8.16 2c7fB1 GLU 193 HA -0.03 0.04 0.37 -0.75 4.29 3.91 2c7fB1 GLU 193 HB2 -0.01 0.05 -0.05 -0.04 2.09 2.04 2c7fB1 GLU 193 HB3 -0.12 0.07 0.16 -0.04 1.99 2.06 2c7fB1 GLU 193 HG2 -0.11 -0.08 -0.22 -0.04 2.34 1.89 2c7fB1 GLU 193 HG3 0.12 0.06 -0.05 -0.04 2.34 2.43 2c7fB1 GLU 194 H -0.15 0.49 -0.14 -0.55 8.60 8.24 2c7fB1 GLU 194 HA -0.18 0.08 0.40 -0.75 4.29 3.84 2c7fB1 GLU 194 HB2 -0.12 0.02 0.13 -0.04 2.09 2.09 2c7fB1 GLU 194 HB3 -0.11 -0.08 0.02 -0.04 1.99 1.79 2c7fB1 GLU 194 HG2 -0.13 0.23 0.09 -0.04 2.34 2.49 2c7fB1 GLU 194 HG3 -0.10 -0.07 0.01 -0.04 2.34 2.15 2c7fB1 THR 195 H -0.12 0.61 -0.10 -0.55 8.28 8.12 2c7fB1 THR 195 HA -0.09 -0.06 0.50 -0.75 4.39 3.98 2c7fB1 THR 195 HB -0.06 0.11 0.12 -0.04 4.32 4.44 2c7fB1 THR 195 HG23 -0.04 -0.02 -0.12 -0.04 1.22 0.99 2c7fB1 ALA 196 H -0.09 0.62 -0.20 -0.55 8.40 8.19 2c7fB1 ALA 196 HA -0.04 -0.02 0.35 -0.75 4.34 3.87 2c7fB1 ALA 196 HB3 0.02 0.07 -0.00 -0.04 1.41 1.45 2c7fB1 ARG 197 H -0.24 0.48 -0.19 -0.55 8.46 7.95 2c7fB1 ARG 197 HA -0.35 0.08 0.37 -0.75 4.34 3.69 2c7fB1 ARG 197 HB2 -0.70 0.15 0.13 -0.04 1.90 1.43 2c7fB1 ARG 197 HB3 -0.29 0.01 0.11 -0.04 1.80 1.59 2c7fB1 ARG 197 HG2 -0.24 -0.02 -0.11 -0.04 1.67 1.26 2c7fB1 ARG 197 HG3 -0.74 0.02 0.00 -0.04 1.67 0.91 2c7fB1 ARG 197 HD2 -0.17 -0.04 -0.06 -0.04 3.22 2.90 2c7fB1 ARG 197 HD3 -0.16 -0.02 -0.04 -0.04 3.22 2.96 2c7fB1 ALA 198 H -0.14 0.46 -0.22 -0.55 8.40 7.94 2c7fB1 ALA 198 HA -0.09 0.05 0.42 -0.75 4.34 3.96 2c7fB1 ALA 198 HB3 -0.09 -0.01 0.08 -0.04 1.41 1.34 2c7fB1 MET 199 H -0.12 0.58 -0.14 -0.55 8.47 8.24 2c7fB1 MET 199 HA -0.17 -0.06 0.40 -0.75 4.52 3.94 2c7fB1 MET 199 HB2 -0.14 0.15 0.10 -0.04 2.15 2.22 2c7fB1 MET 199 HB3 -0.27 0.01 -0.06 -0.04 2.03 1.66 2c7fB1 MET 199 HG2 -0.31 -0.07 -0.12 -0.04 2.63 2.10 2c7fB1 MET 199 HG3 -0.16 0.06 -0.03 -0.04 2.56 2.38 2c7fB1 MET 199 HE3 -0.74 0.01 -0.11 -0.04 2.10 1.22 2c7fB1 LYS 200 H -0.06 0.54 -0.19 -0.55 8.42 8.15 2c7fB1 LYS 200 HA -0.03 0.24 0.28 -0.75 4.32 4.05 2c7fB1 LYS 200 HB2 0.04 0.10 0.09 -0.04 1.87 2.06 2c7fB1 LYS 200 HB3 0.04 -0.04 0.06 -0.04 1.79 1.81 2c7fB1 LYS 200 HG2 0.01 0.06 0.01 -0.04 1.46 1.51 2c7fB1 LYS 200 HG3 0.02 -0.04 0.01 -0.04 1.46 1.41 2c7fB1 LYS 200 HD2 0.11 0.02 0.06 -0.04 1.69 1.83 2c7fB1 LYS 200 HD3 0.05 -0.04 0.05 -0.04 1.68 1.71 2c7fB1 LYS 200 HE2 0.04 0.24 0.02 -0.04 2.99 3.25 2c7fB1 LYS 200 HE3 0.05 -0.15 -0.06 -0.04 2.99 2.80 2c7fB1 MET 201 H -0.05 0.22 -0.66 -0.55 8.47 7.43 2c7fB1 MET 201 HA -0.00 0.10 0.65 -0.75 4.52 4.51 2c7fB1 MET 201 HB2 -0.04 0.17 0.11 -0.04 2.15 2.34 2c7fB1 MET 201 HB3 -0.02 -0.10 0.02 -0.04 2.03 1.89 2c7fB1 MET 201 HG2 -0.01 -0.03 0.00 -0.04 2.63 2.55 2c7fB1 MET 201 HG3 -0.04 0.33 0.04 -0.04 2.56 2.86 2c7fB1 MET 201 HE3 -0.05 -0.01 -0.07 -0.04 2.10 1.93 2c7fB1 ILE 202 H -0.06 0.29 -0.18 -0.55 8.25 7.75 2c7fB1 ILE 202 HA 0.00 0.04 0.64 -0.75 4.18 4.11 2c7fB1 ILE 202 HB -0.10 0.15 0.17 -0.04 1.89 2.07 2c7fB1 ILE 202 HG12 -0.04 -0.06 0.01 -0.04 1.49 1.36 2c7fB1 ILE 202 HG13 -0.06 0.11 0.01 -0.04 1.21 1.23 2c7fB1 ILE 202 HG23 -0.00 -0.03 -0.16 -0.04 0.93 0.69 2c7fB1 ILE 202 HD13 -0.10 -0.04 0.01 -0.04 0.88 0.72 2c7fB1 ASP 203 H -0.05 0.57 -0.02 -0.55 8.40 8.35 2c7fB1 ASP 203 HA 0.01 0.18 0.73 -0.75 4.63 4.80 2c7fB1 ASP 203 HB2 -0.01 -0.02 -0.22 -0.04 2.71 2.42 2c7fB1 ASP 203 HB3 -0.05 -0.00 0.09 -0.04 2.70 2.70 2c7fB1 PRO 204 HA 0.02 0.17 0.56 -0.51 4.44 4.68 2c7fB1 PRO 204 HB2 0.02 -0.03 -0.02 -0.04 2.28 2.20 2c7fB1 PRO 204 HB3 0.02 0.04 0.13 -0.04 2.02 2.17 2c7fB1 PRO 204 HG2 0.02 -0.04 0.03 -0.04 2.03 2.00 2c7fB1 PRO 204 HG3 0.01 0.16 0.01 -0.04 2.03 2.18 2c7fB1 PRO 204 HD2 0.02 0.02 0.13 -0.04 3.68 3.81 2c7fB1 PRO 204 HD3 0.01 0.23 -0.13 -0.04 3.65 3.72 2c7fB1 SER 205 H 0.03 0.02 -0.34 -0.55 8.46 7.63 2c7fB1 SER 205 HA 0.04 0.12 0.44 -0.75 4.49 4.33 2c7fB1 SER 205 HB2 0.05 -0.01 0.06 -0.04 3.95 4.02 2c7fB1 SER 205 HB3 0.04 -0.05 0.03 -0.04 3.93 3.91 2c7fB1 ILE 206 H 0.05 0.16 -0.37 -0.55 8.25 7.54 2c7fB1 ILE 206 HA 0.17 0.12 0.48 -0.75 4.18 4.19 2c7fB1 ILE 206 HB 0.27 0.02 0.01 -0.04 1.89 2.15 2c7fB1 ILE 206 HG12 -0.02 0.42 0.03 -0.04 1.49 1.87 2c7fB1 ILE 206 HG13 0.03 -0.02 -0.30 -0.04 1.21 0.88 2c7fB1 ILE 206 HG23 0.12 -0.02 -0.03 -0.04 0.93 0.96 2c7fB1 ILE 206 HD13 -0.27 -0.07 -0.19 -0.04 0.88 0.32 2c7fB1 GLU 207 H 0.25 0.90 0.47 -0.55 8.60 9.67 2c7fB1 GLU 207 HA 0.11 0.20 0.88 -0.75 4.29 4.73 2c7fB1 GLU 207 HB2 0.28 -0.05 0.06 -0.04 2.09 2.34 2c7fB1 GLU 207 HB3 0.32 -0.09 -0.01 -0.04 1.99 2.18 2c7fB1 GLU 207 HG2 0.08 0.08 -0.04 -0.04 2.34 2.42 2c7fB1 GLU 207 HG3 0.13 0.10 -0.16 -0.04 2.34 2.37 2c7fB1 LEU 208 H 0.12 0.19 0.19 -0.55 8.37 8.32 2c7fB1 LEU 208 HA 0.25 0.28 1.12 -0.75 4.35 5.24 2c7fB1 LEU 208 HB2 0.09 0.08 0.18 -0.04 1.64 1.95 2c7fB1 LEU 208 HB3 0.12 -0.05 -0.03 -0.04 1.64 1.64 2c7fB1 LEU 208 HG 0.10 -0.01 -0.48 -0.04 1.64 1.20 2c7fB1 LEU 208 HD13 0.03 0.05 0.00 -0.04 0.93 0.97 2c7fB1 LEU 208 HD23 0.08 -0.02 -0.12 -0.04 0.89 0.80 2c7fB1 VAL 209 H 0.23 0.69 0.38 -0.55 8.24 8.99 2c7fB1 VAL 209 HA 0.27 0.15 0.98 -0.75 4.13 4.77 2c7fB1 VAL 209 HB 0.17 -0.08 0.08 -0.04 2.12 2.24 2c7fB1 VAL 209 HG13 0.15 -0.01 -0.34 -0.04 0.97 0.73 2c7fB1 VAL 209 HG23 0.17 0.02 -0.25 -0.04 0.95 0.86 2c7fB1 ALA 210 H 0.16 0.81 0.31 -0.55 8.40 9.14 2c7fB1 ALA 210 HA 0.25 0.09 0.81 -0.75 4.34 4.74 2c7fB1 ALA 210 HB3 0.14 0.02 0.03 -0.04 1.41 1.56 2c7fB1 CYS 211 H 0.55 0.20 0.07 -0.55 8.50 8.77 2c7fB1 CYS 211 HA 0.15 -0.01 0.37 -0.75 4.58 4.34 2c7fB1 CYS 211 HB2 -0.18 -0.02 -0.02 -0.04 2.97 2.70 2c7fB1 CYS 211 HB3 -0.04 -0.01 -0.18 -0.04 2.97 2.71 2c7fB1 GLY 212 H 0.04 0.10 0.14 -0.55 8.43 8.16 2c7fB1 GLY 212 HA2 0.42 0.08 0.67 -0.51 4.01 4.67 2c7fB1 GLY 212 HA3 0.10 0.30 0.43 -0.51 4.01 4.33 2c7fB1 SER 213 H 0.07 0.10 0.08 -0.55 8.46 8.16 2c7fB1 SER 213 HA -0.77 -0.00 0.43 -0.75 4.49 3.39 2c7fB1 SER 213 HB2 0.04 0.09 -0.04 -0.04 3.95 4.00 2c7fB1 SER 213 HB3 -0.12 -0.04 0.12 -0.04 3.93 3.85 2c7fB1 SER 214 H -0.28 0.04 0.12 -0.55 8.46 7.80 2c7fB1 SER 214 HA -0.03 0.09 0.44 -0.75 4.49 4.24 2c7fB1 SER 214 HB2 0.24 -0.02 0.02 -0.04 3.95 4.15 2c7fB1 SER 214 HB3 0.44 0.05 0.00 -0.04 3.93 4.38 2c7fB1 SER 215 H -0.06 0.11 0.02 -0.55 8.46 7.99 2c7fB1 SER 215 HA -0.17 0.42 0.56 -0.75 4.49 4.55 2c7fB1 SER 215 HB2 -0.17 0.02 0.17 -0.04 3.95 3.93 2c7fB1 SER 215 HB3 -0.01 0.13 -0.13 -0.04 3.93 3.88 2c7fB1 LYS 216 H -0.68 0.27 0.17 -0.55 8.42 7.63 2c7fB1 LYS 216 HA -1.23 0.09 0.57 -0.75 4.32 3.00 2c7fB1 LYS 216 HB2 -0.77 0.08 0.13 -0.04 1.87 1.26 2c7fB1 LYS 216 HB3 -1.67 0.03 0.13 -0.04 1.79 0.23 2c7fB1 LYS 216 HG2 -0.74 -0.04 0.11 -0.04 1.46 0.75 2c7fB1 LYS 216 HG3 -0.36 0.02 -0.15 -0.04 1.46 0.93 2c7fB1 LYS 216 HD2 -0.54 0.02 0.03 -0.04 1.69 1.16 2c7fB1 LYS 216 HD3 -0.21 -0.01 -0.02 -0.04 1.68 1.40 2c7fB1 LYS 216 HE2 -0.07 -0.00 -0.06 -0.04 2.99 2.81 2c7fB1 LYS 216 HE3 -0.05 0.01 -0.01 -0.04 2.99 2.90 2c7fB1 ASP 217 H -0.21 -0.06 -0.35 -0.55 8.40 7.24 2c7fB1 ASP 217 HA -0.05 0.22 0.52 -0.75 4.63 4.58 2c7fB1 ASP 217 HB2 -0.06 -0.06 -0.02 -0.04 2.71 2.53 2c7fB1 ASP 217 HB3 -0.03 0.05 0.05 -0.04 2.70 2.73 2c7fB1 MET 218 H -0.04 0.09 -0.30 -0.55 8.47 7.67 2c7fB1 MET 218 HA 0.04 0.14 0.55 -0.75 4.52 4.50 2c7fB1 MET 218 HB2 0.01 0.11 0.15 -0.04 2.15 2.38 2c7fB1 MET 218 HB3 0.01 -0.08 0.03 -0.04 2.03 1.95 2c7fB1 MET 218 HG2 0.04 -0.06 0.05 -0.04 2.63 2.62 2c7fB1 MET 218 HG3 -0.07 -0.19 0.07 -0.04 2.56 2.33 2c7fB1 MET 218 HE3 -0.08 0.00 0.01 -0.04 2.10 2.00 2c7fB1 PRO 219 HA 0.08 0.19 0.38 -0.51 4.44 4.59 2c7fB1 PRO 219 HB2 0.06 -0.01 0.03 -0.04 2.28 2.31 2c7fB1 PRO 219 HB3 0.05 0.06 0.14 -0.04 2.02 2.23 2c7fB1 PRO 219 HG2 0.04 0.03 0.12 -0.04 2.03 2.17 2c7fB1 PRO 219 HG3 0.04 0.11 0.14 -0.04 2.03 2.28 2c7fB1 PRO 219 HD2 0.05 0.03 0.23 -0.04 3.68 3.94 2c7fB1 PRO 219 HD3 0.05 0.17 0.32 -0.04 3.65 4.14 2c7fB1 THR 220 H 0.10 0.01 -0.37 -0.55 8.28 7.47 2c7fB1 THR 220 HA 0.13 0.21 0.58 -0.75 4.39 4.56 2c7fB1 THR 220 HB 0.30 -0.17 0.18 -0.04 4.32 4.60 2c7fB1 THR 220 HG23 0.15 0.02 0.03 -0.04 1.22 1.38 2c7fB1 PHE 221 H 0.24 0.55 -0.31 -0.55 8.34 8.27 2c7fB1 PHE 221 HA 0.14 -0.15 0.84 -0.75 4.62 4.69 2c7fB1 PHE 221 HB2 0.03 -0.13 0.14 -0.04 3.15 3.15 2c7fB1 PHE 221 HB3 0.04 0.36 0.13 -0.04 3.06 3.56 2c7fB1 PHE 221 HD2 0.10 -0.01 -0.03 -0.04 7.28 7.30 2c7fB1 PHE 221 HE2 0.19 0.02 -0.00 -0.04 7.38 7.55 2c7fB1 PHE 221 HZ 0.30 0.07 0.00 -0.04 7.32 7.65 2c7fB1 PRO 222 HA -0.48 -0.07 0.41 -0.51 4.44 3.78 2c7fB1 PRO 222 HB2 -0.39 0.01 0.23 -0.04 2.28 2.10 2c7fB1 PRO 222 HB3 -1.63 0.05 0.09 -0.04 2.02 0.49 2c7fB1 PRO 222 HG2 -0.26 0.05 0.05 -0.04 2.03 1.83 2c7fB1 PRO 222 HG3 -0.44 0.08 0.05 -0.04 2.03 1.67 2c7fB1 PRO 222 HD2 -0.16 0.07 0.12 -0.04 3.68 3.67 2c7fB1 PRO 222 HD3 -0.21 0.23 0.38 -0.04 3.65 4.01 2c7fB1 GLN 223 H 0.08 0.60 0.16 -0.55 8.47 8.77 2c7fB1 GLN 223 HA 0.03 0.14 0.54 -0.75 4.36 4.31 2c7fB1 GLN 223 HB2 0.01 0.08 -0.08 -0.04 2.15 2.11 2c7fB1 GLN 223 HB3 0.08 0.03 0.06 -0.04 2.02 2.15 2c7fB1 GLN 223 HG2 0.04 -0.08 -0.03 -0.04 2.40 2.28 2c7fB1 GLN 223 HG3 0.01 0.06 -0.01 -0.04 2.39 2.41 2c7fB1 GLN 223 HE21 0.02 0.01 -0.03 -0.04 6.97 6.94 2c7fB1 GLN 223 HE22 0.02 0.01 -0.03 -0.04 7.69 7.65 2c7fB1 TRP 224 H 0.27 0.12 0.18 -0.55 7.97 7.99 2c7fB1 TRP 224 HA 0.08 0.02 0.47 -0.75 4.62 4.43 2c7fB1 TRP 224 HB2 0.07 0.05 0.06 -0.04 3.23 3.37 2c7fB1 TRP 224 HB3 0.09 -0.11 -0.02 -0.04 3.23 3.16 2c7fB1 TRP 224 HD1 0.09 -0.02 -0.33 -0.04 7.22 6.93 2c7fB1 TRP 224 HE1 0.01 0.58 -0.22 -0.04 10.20 10.53 2c7fB1 TRP 224 HE3 0.03 -0.04 0.03 -0.04 7.59 7.57 2c7fB1 TRP 224 HZ2 -0.53 0.06 -0.13 -0.04 7.44 6.80 2c7fB1 TRP 224 HZ3 -0.06 0.13 -0.20 -0.04 7.13 6.96 2c7fB1 TRP 224 HH2 -0.16 0.12 -0.31 -0.04 7.19 6.79 2c7fB1 GLU 225 H 0.31 0.06 -0.37 -0.55 8.60 8.06 2c7fB1 GLU 225 HA 0.25 0.07 0.27 -0.75 4.29 4.12 2c7fB1 GLU 225 HB2 0.06 0.17 0.15 -0.04 2.09 2.42 2c7fB1 GLU 225 HB3 0.10 0.10 -0.02 -0.04 1.99 2.13 2c7fB1 GLU 225 HG2 0.18 0.09 0.04 -0.04 2.34 2.61 2c7fB1 GLU 225 HG3 0.26 0.04 0.05 -0.04 2.34 2.65 2c7fB1 ALA 226 H 0.06 0.36 -0.03 -0.55 8.40 8.25 2c7fB1 ALA 226 HA 0.09 0.10 0.43 -0.75 4.34 4.20 2c7fB1 ALA 226 HB3 0.11 0.02 0.12 -0.04 1.41 1.62 2c7fB1 THR 227 H 0.00 0.68 -0.02 -0.55 8.28 8.40 2c7fB1 THR 227 HA -0.08 0.04 0.40 -0.75 4.39 4.01 2c7fB1 THR 227 HB -0.11 -0.03 0.27 -0.04 4.32 4.41 2c7fB1 THR 227 HG23 0.06 -0.03 -0.20 -0.04 1.22 1.01 2c7fB1 VAL 228 H -0.14 0.68 -0.04 -0.55 8.24 8.19 2c7fB1 VAL 228 HA -0.03 -0.05 0.44 -0.75 4.13 3.74 2c7fB1 VAL 228 HB -0.02 0.09 0.05 -0.04 2.12 2.20 2c7fB1 VAL 228 HG13 0.04 0.01 -0.15 -0.04 0.97 0.83 2c7fB1 VAL 228 HG23 -0.52 0.01 0.02 -0.04 0.95 0.42 2c7fB1 LEU 229 H 0.03 0.52 -0.18 -0.55 8.37 8.19 2c7fB1 LEU 229 HA 0.06 -0.01 0.41 -0.75 4.35 4.05 2c7fB1 LEU 229 HB2 0.08 0.13 0.12 -0.04 1.64 1.93 2c7fB1 LEU 229 HB3 0.19 -0.01 -0.01 -0.04 1.64 1.77 2c7fB1 LEU 229 HG 0.07 0.01 0.02 -0.04 1.64 1.69 2c7fB1 LEU 229 HD13 0.06 -0.01 -0.09 -0.04 0.93 0.85 2c7fB1 LEU 229 HD23 -0.06 -0.01 -0.14 -0.04 0.89 0.65 2c7fB1 ASP 230 H -0.02 0.46 -0.24 -0.55 8.40 8.05 2c7fB1 ASP 230 HA -0.08 0.04 0.47 -0.75 4.63 4.30 2c7fB1 ASP 230 HB2 -0.12 0.14 0.16 -0.04 2.71 2.84 2c7fB1 ASP 230 HB3 -0.30 0.04 0.12 -0.04 2.70 2.52 2c7fB1 TYR 231 H 0.03 0.34 -0.25 -0.55 8.29 7.86 2c7fB1 TYR 231 HA -0.02 0.08 0.67 -0.75 4.56 4.54 2c7fB1 TYR 231 HB2 -0.10 0.09 0.19 -0.04 3.06 3.20 2c7fB1 TYR 231 HB3 -0.07 0.00 -0.08 -0.04 2.98 2.78 2c7fB1 TYR 231 HD2 -0.09 0.06 -0.03 -0.04 7.15 7.04 2c7fB1 TYR 231 HE2 -0.08 -0.08 -0.02 -0.04 6.85 6.63 2c7fB1 ALA 232 H 0.11 0.50 0.08 -0.55 8.40 8.54 2c7fB1 ALA 232 HA 0.18 0.13 0.42 -0.75 4.34 4.32 2c7fB1 ALA 232 HB3 0.02 -0.00 -0.03 -0.04 1.41 1.36 2c7fB1 TYR 233 H 0.16 0.39 -0.28 -0.55 8.29 8.01 2c7fB1 TYR 233 HA -0.03 -0.02 0.23 -0.75 4.56 3.97 2c7fB1 TYR 233 HB2 -0.06 0.35 0.13 -0.04 3.06 3.43 2c7fB1 TYR 233 HB3 -0.09 -0.05 0.04 -0.04 2.98 2.84 2c7fB1 TYR 233 HD2 -0.09 0.00 -0.20 -0.04 7.15 6.83 2c7fB1 TYR 233 HE2 -0.09 -0.02 -0.07 -0.04 6.85 6.63 2c7fB1 ASP 234 H -0.01 0.12 -0.17 -0.55 8.40 7.79 2c7fB1 ASP 234 HA -0.12 0.09 0.34 -0.75 4.63 4.19 2c7fB1 ASP 234 HB2 -0.76 -0.01 0.02 -0.04 2.71 1.92 2c7fB1 ASP 234 HB3 -0.53 0.01 0.10 -0.04 2.70 2.24 2c7fB1 TYR 235 H -0.02 0.47 -0.34 -0.55 8.29 7.86 2c7fB1 TYR 235 HA -0.02 0.22 0.87 -0.75 4.56 4.88 2c7fB1 TYR 235 HB2 -0.02 0.00 -0.02 -0.04 3.06 2.98 2c7fB1 TYR 235 HB3 -0.03 -0.04 -0.14 -0.04 2.98 2.73 2c7fB1 TYR 235 HD2 -0.01 0.05 -0.07 -0.04 7.15 7.08 2c7fB1 TYR 235 HE2 -0.00 0.01 -0.04 -0.04 6.85 6.77 2c7fB1 VAL 236 H -0.02 0.31 0.02 -0.55 8.24 8.00 2c7fB1 VAL 236 HA 0.03 0.12 0.95 -0.75 4.13 4.47 2c7fB1 VAL 236 HB 0.03 -0.05 0.04 -0.04 2.12 2.09 2c7fB1 VAL 236 HG13 0.05 -0.02 -0.20 -0.04 0.97 0.76 2c7fB1 VAL 236 HG23 -0.08 0.04 -0.26 -0.04 0.95 0.61 2c7fB1 ASP 237 H -0.03 0.50 0.40 -0.55 8.40 8.72 2c7fB1 ASP 237 HA -0.24 0.26 0.98 -0.75 4.63 4.89 2c7fB1 ASP 237 HB2 -0.35 -0.07 0.11 -0.04 2.71 2.35 2c7fB1 ASP 237 HB3 -0.52 0.01 0.09 -0.04 2.70 2.24 2c7fB1 TYR 238 H 0.06 0.32 0.42 -0.55 8.29 8.53 2c7fB1 TYR 238 HA 0.05 0.43 1.05 -0.75 4.56 5.34 2c7fB1 TYR 238 HB2 0.08 -0.14 -0.04 -0.04 3.06 2.92 2c7fB1 TYR 238 HB3 0.08 0.02 -0.07 -0.04 2.98 2.96 2c7fB1 TYR 238 HD2 0.12 -0.01 -0.40 -0.04 7.15 6.81 2c7fB1 TYR 238 HE2 0.05 0.01 -0.16 -0.04 6.85 6.71 2c7fB1 ILE 239 H 0.15 0.57 0.29 -0.55 8.25 8.70 2c7fB1 ILE 239 HA 0.14 0.27 0.76 -0.75 4.18 4.60 2c7fB1 ILE 239 HB 0.07 0.03 -0.01 -0.04 1.89 1.94 2c7fB1 ILE 239 HG12 0.12 -0.07 -0.05 -0.04 1.49 1.45 2c7fB1 ILE 239 HG13 0.12 0.03 -0.05 -0.04 1.21 1.28 2c7fB1 ILE 239 HG23 0.04 0.02 -0.12 -0.04 0.93 0.83 2c7fB1 ILE 239 HD13 0.20 0.03 -0.20 -0.04 0.88 0.87 2c7fB1 SER 240 H 0.12 0.26 0.18 -0.55 8.46 8.47 2c7fB1 SER 240 HA 0.04 0.37 1.02 -0.75 4.49 5.16 2c7fB1 SER 240 HB2 0.16 0.02 0.07 -0.04 3.95 4.15 2c7fB1 SER 240 HB3 0.12 0.04 -0.08 -0.04 3.93 3.97 2c7fB1 LEU 241 H -0.13 0.43 0.28 -0.55 8.37 8.40 2c7fB1 LEU 241 HA -0.15 0.11 0.82 -0.75 4.35 4.39 2c7fB1 LEU 241 HB2 -1.74 -0.01 -0.03 -0.04 1.64 -0.18 2c7fB1 LEU 241 HB3 -0.99 0.00 -0.06 -0.04 1.64 0.55 2c7fB1 LEU 241 HG -0.40 0.03 -0.23 -0.04 1.64 0.99 2c7fB1 LEU 241 HD13 -0.23 -0.00 -0.25 -0.04 0.93 0.40 2c7fB1 LEU 241 HD23 -0.89 0.01 -0.12 -0.04 0.89 -0.15 2c7fB1 HIS 242 H 0.14 0.21 0.08 -0.55 8.41 8.29 2c7fB1 HIS 242 HA 0.06 0.40 0.99 -0.75 4.63 5.32 2c7fB1 HIS 242 HB2 0.04 0.29 0.14 -0.04 3.26 3.69 2c7fB1 HIS 242 HB3 0.06 -0.06 0.04 -0.04 3.20 3.19 2c7fB1 HIS 242 HD2 0.14 -0.05 -0.02 -0.04 6.97 7.00 2c7fB1 HIS 242 HE1 -0.01 0.01 -0.20 -0.04 7.75 7.50 2c7fB1 GLN 243 H 0.11 0.70 0.27 -0.55 8.47 9.00 2c7fB1 GLN 243 HA -0.11 0.01 0.76 -0.75 4.36 4.26 2c7fB1 GLN 243 HB2 0.43 0.03 -0.22 -0.04 2.15 2.35 2c7fB1 GLN 243 HB3 0.33 0.02 0.06 -0.04 2.02 2.39 2c7fB1 GLN 243 HG2 -0.01 -0.01 -0.07 -0.04 2.40 2.27 2c7fB1 GLN 243 HG3 -0.77 -0.01 -0.24 -0.04 2.39 1.33 2c7fB1 GLN 243 HE21 -0.28 -0.08 0.06 -0.04 6.97 6.64 2c7fB1 GLN 243 HE22 -1.00 0.06 -0.04 -0.04 7.69 6.67 2c7fB1 TYR 244 H -0.09 0.18 0.19 -0.55 8.29 8.01 2c7fB1 TYR 244 HA 0.08 0.43 0.98 -0.75 4.56 5.30 2c7fB1 TYR 244 HB2 0.00 -0.06 0.03 -0.04 3.06 2.99 2c7fB1 TYR 244 HB3 0.20 0.01 0.01 -0.04 2.98 3.16 2c7fB1 TYR 244 HD2 0.25 0.01 -0.17 -0.04 7.15 7.21 2c7fB1 TYR 244 HE2 0.22 0.08 -0.16 -0.04 6.85 6.96 2c7fB1 TYR 245 H 0.33 0.38 0.38 -0.55 8.29 8.83 2c7fB1 TYR 245 HA 0.11 0.20 0.98 -0.75 4.56 5.10 2c7fB1 TYR 245 HB2 0.10 -0.02 0.03 -0.04 3.06 3.12 2c7fB1 TYR 245 HB3 0.07 0.01 0.04 -0.04 2.98 3.06 2c7fB1 TYR 245 HD2 0.04 -0.01 -0.04 -0.04 7.15 7.10 2c7fB1 TYR 245 HE2 0.02 0.00 -0.07 -0.04 6.85 6.76 2c7fB1 GLY 246 H 0.24 0.30 0.21 -0.55 8.43 8.63 2c7fB1 GLY 246 HA2 -0.32 0.06 0.70 -0.51 4.01 3.95 2c7fB1 GLY 246 HA3 -0.18 0.09 0.24 -0.51 4.01 3.65 2c7fB1 ASN 247 H -2.74 0.17 0.01 -0.55 8.53 5.42 2c7fB1 ASN 247 HA -0.41 0.21 0.87 -0.75 4.76 4.68 2c7fB1 ASN 247 HB2 -2.27 0.06 -0.14 -0.04 2.88 0.48 2c7fB1 ASN 247 HB3 -0.77 0.05 0.08 -0.04 2.79 2.12 2c7fB1 ASN 247 HD21 -0.14 -0.05 -0.27 -0.04 7.03 6.53 2c7fB1 ASN 247 HD22 -0.33 0.06 -0.08 -0.04 7.74 7.34 2c7fB1 LYS 248 H -0.26 0.19 -0.14 -0.55 8.42 7.65 2c7fB1 LYS 248 HA 0.07 0.13 0.47 -0.75 4.32 4.23 2c7fB1 LYS 248 HB2 -0.04 -0.02 0.06 -0.04 1.87 1.83 2c7fB1 LYS 248 HB3 0.00 0.11 -0.02 -0.04 1.79 1.84 2c7fB1 LYS 248 HG2 0.09 0.07 0.04 -0.04 1.46 1.63 2c7fB1 LYS 248 HG3 0.18 -0.14 0.01 -0.04 1.46 1.47 2c7fB1 LYS 248 HD2 -0.01 0.06 -0.00 -0.04 1.69 1.69 2c7fB1 LYS 248 HD3 0.02 0.04 0.02 -0.04 1.68 1.71 2c7fB1 LYS 248 HE2 0.02 -0.06 0.04 -0.04 2.99 2.95 2c7fB1 LYS 248 HE3 -0.04 -0.05 -0.01 -0.04 2.99 2.85 2c7fB1 GLU 249 H -0.07 0.02 -0.23 -0.55 8.60 7.77 2c7fB1 GLU 249 HA -0.01 0.18 0.42 -0.75 4.29 4.12 2c7fB1 GLU 249 HB2 -0.01 -0.13 -0.04 -0.04 2.09 1.87 2c7fB1 GLU 249 HB3 0.00 0.08 0.02 -0.04 1.99 2.05 2c7fB1 GLU 249 HG2 -0.00 0.09 -0.01 -0.04 2.34 2.37 2c7fB1 GLU 249 HG3 -0.02 -0.11 0.01 -0.04 2.34 2.17 2c7fB1 ASN 250 H -0.08 0.17 -0.57 -0.55 8.53 7.50 2c7fB1 ASN 250 HA -0.04 0.03 0.23 -0.75 4.76 4.23 2c7fB1 ASN 250 HB2 0.01 0.10 -0.32 -0.04 2.88 2.62 2c7fB1 ASN 250 HB3 0.01 0.09 0.25 -0.04 2.79 3.10 2c7fB1 ASN 250 HD21 0.03 -0.03 0.03 -0.04 7.03 7.02 2c7fB1 ASN 250 HD22 0.02 0.06 0.00 -0.04 7.74 7.79 2c7fB1 ASP 251 H -0.03 0.04 -0.22 -0.55 8.40 7.64 2c7fB1 ASP 251 HA 0.03 0.26 0.87 -0.75 4.63 5.03 2c7fB1 ASP 251 HB2 0.03 0.20 -0.14 -0.04 2.71 2.76 2c7fB1 ASP 251 HB3 0.05 -0.07 0.12 -0.04 2.70 2.76 2c7fB1 THR 252 H 0.04 0.35 0.00 -0.55 8.28 8.12 2c7fB1 THR 252 HA 0.15 0.03 0.28 -0.75 4.39 4.09 2c7fB1 THR 252 HB 0.03 0.08 0.08 -0.04 4.32 4.47 2c7fB1 THR 252 HG23 0.11 0.01 -0.04 -0.04 1.22 1.25 2c7fB1 ALA 253 H 0.03 0.13 -0.13 -0.55 8.40 7.88 2c7fB1 ALA 253 HA 0.02 0.15 0.36 -0.75 4.34 4.11 2c7fB1 ALA 253 HB3 0.02 0.04 0.03 -0.04 1.41 1.46 2c7fB1 ASP 254 H 0.09 0.09 -0.19 -0.55 8.40 7.84 2c7fB1 ASP 254 HA 0.11 0.09 0.44 -0.75 4.63 4.51 2c7fB1 ASP 254 HB2 0.10 -0.12 0.12 -0.04 2.71 2.78 2c7fB1 ASP 254 HB3 0.11 0.11 0.03 -0.04 2.70 2.91 2c7fB1 PHE 255 H 0.19 0.47 -0.19 -0.55 8.34 8.25 2c7fB1 PHE 255 HA -0.07 0.05 0.44 -0.75 4.62 4.28 2c7fB1 PHE 255 HB2 -0.04 -0.04 -0.01 -0.04 3.15 3.01 2c7fB1 PHE 255 HB3 -0.03 0.12 0.10 -0.04 3.06 3.20 2c7fB1 PHE 255 HD2 -0.05 0.10 -0.13 -0.04 7.28 7.15 2c7fB1 PHE 255 HE2 -0.00 -0.04 -0.45 -0.04 7.38 6.84 2c7fB1 PHE 255 HZ 0.13 -0.02 -0.15 -0.04 7.32 7.23 2c7fB1 LEU 256 H 0.03 0.51 -0.19 -0.55 8.37 8.17 2c7fB1 LEU 256 HA -0.29 0.04 0.48 -0.75 4.35 3.83 2c7fB1 LEU 256 HB2 -0.01 0.13 0.08 -0.04 1.64 1.80 2c7fB1 LEU 256 HB3 -0.05 0.00 0.08 -0.04 1.64 1.63 2c7fB1 LEU 256 HG 0.08 0.12 0.05 -0.04 1.64 1.85 2c7fB1 LEU 256 HD13 0.01 -0.03 0.01 -0.04 0.93 0.88 2c7fB1 LEU 256 HD23 -0.09 -0.00 -0.08 -0.04 0.89 0.68 2c7fB1 ALA 257 H -0.14 0.21 -0.54 -0.55 8.40 7.38 2c7fB1 ALA 257 HA -0.20 0.18 0.58 -0.75 4.34 4.15 2c7fB1 ALA 257 HB3 -0.35 0.05 0.07 -0.04 1.41 1.13 2c7fB1 LYS 258 H -0.39 0.34 -0.48 -0.55 8.42 7.34 2c7fB1 LYS 258 HA -0.35 0.03 0.29 -0.75 4.32 3.54 2c7fB1 LYS 258 HB2 -0.77 0.18 0.09 -0.04 1.87 1.32 2c7fB1 LYS 258 HB3 -1.27 -0.05 0.10 -0.04 1.79 0.52 2c7fB1 LYS 258 HG2 -0.06 -0.03 0.03 -0.04 1.46 1.35 2c7fB1 LYS 258 HG3 -0.18 0.22 0.11 -0.04 1.46 1.58 2c7fB1 LYS 258 HD2 -0.10 0.01 0.10 -0.04 1.69 1.66 2c7fB1 LYS 258 HD3 0.04 -0.05 0.08 -0.04 1.68 1.71 2c7fB1 LYS 258 HE2 0.13 0.01 -0.01 -0.04 2.99 3.08 2c7fB1 LYS 258 HE3 0.14 -0.03 -0.10 -0.04 2.99 2.96 2c7fB1 SER 259 H -0.28 0.28 -0.47 -0.55 8.46 7.44 2c7fB1 SER 259 HA -0.11 0.07 0.56 -0.75 4.49 4.26 2c7fB1 SER 259 HB2 -0.06 0.09 -0.07 -0.04 3.95 3.87 2c7fB1 SER 259 HB3 -0.13 -0.02 -0.08 -0.04 3.93 3.66 2c7fB1 ASP 260 H -0.15 0.46 -0.16 -0.55 8.40 8.00 2c7fB1 ASP 260 HA -0.00 0.12 0.62 -0.75 4.63 4.62 2c7fB1 ASP 260 HB2 -0.12 0.16 0.17 -0.04 2.71 2.88 2c7fB1 ASP 260 HB3 0.00 -0.00 0.04 -0.04 2.70 2.69 2c7fB1 ASP 261 H -0.04 0.18 -0.22 -0.55 8.40 7.78 2c7fB1 ASP 261 HA 0.12 0.09 0.52 -0.75 4.63 4.60 2c7fB1 ASP 261 HB2 0.12 0.20 0.12 -0.04 2.71 3.10 2c7fB1 ASP 261 HB3 0.16 -0.03 0.04 -0.04 2.70 2.83 2c7fB1 LEU 262 H 0.11 0.26 -0.31 -0.55 8.37 7.88 2c7fB1 LEU 262 HA 0.36 0.01 0.47 -0.75 4.35 4.44 2c7fB1 LEU 262 HB2 0.29 -0.00 0.10 -0.04 1.64 1.99 2c7fB1 LEU 262 HB3 0.08 0.22 0.13 -0.04 1.64 2.02 2c7fB1 LEU 262 HG 0.05 0.01 -0.17 -0.04 1.64 1.50 2c7fB1 LEU 262 HD13 0.17 -0.02 -0.03 -0.04 0.93 1.02 2c7fB1 LEU 262 HD23 -0.16 0.02 -0.01 -0.04 0.89 0.70 2c7fB1 ASP 263 H 0.09 0.40 -0.24 -0.55 8.40 8.10 2c7fB1 ASP 263 HA 0.07 0.07 0.41 -0.75 4.63 4.43 2c7fB1 ASP 263 HB2 0.08 0.10 0.19 -0.04 2.71 3.04 2c7fB1 ASP 263 HB3 0.08 0.10 0.15 -0.04 2.70 3.00 2c7fB1 ASP 264 H 0.11 0.44 -0.19 -0.55 8.40 8.22 2c7fB1 ASP 264 HA 0.10 0.05 0.45 -0.75 4.63 4.46 2c7fB1 ASP 264 HB2 0.14 0.07 0.14 -0.04 2.71 3.02 2c7fB1 ASP 264 HB3 0.12 -0.04 0.02 -0.04 2.70 2.76 2c7fB1 PHE 265 H 0.28 0.46 -0.28 -0.55 8.34 8.25 2c7fB1 PHE 265 HA 0.11 -0.02 0.44 -0.75 4.62 4.40 2c7fB1 PHE 265 HB2 0.06 0.04 0.14 -0.04 3.15 3.35 2c7fB1 PHE 265 HB3 0.11 0.16 0.21 -0.04 3.06 3.50 2c7fB1 PHE 265 HD2 0.09 0.02 0.02 -0.04 7.28 7.37 2c7fB1 PHE 265 HE2 -0.39 -0.01 -0.14 -0.04 7.38 6.79 2c7fB1 PHE 265 HZ -0.24 -0.08 -0.01 -0.04 7.32 6.94 2c7fB1 ILE 266 H 0.05 0.64 -0.10 -0.55 8.25 8.28 2c7fB1 ILE 266 HA -0.27 -0.02 0.40 -0.75 4.18 3.53 2c7fB1 ILE 266 HB -0.36 0.14 0.15 -0.04 1.89 1.79 2c7fB1 ILE 266 HG12 0.11 -0.05 -0.02 -0.04 1.49 1.49 2c7fB1 ILE 266 HG13 0.12 -0.00 0.03 -0.04 1.21 1.32 2c7fB1 ILE 266 HG23 -0.39 -0.00 -0.10 -0.04 0.93 0.40 2c7fB1 ILE 266 HD13 -0.05 0.00 -0.15 -0.04 0.88 0.63 2c7fB1 ARG 267 H -0.06 0.55 -0.14 -0.55 8.46 8.26 2c7fB1 ARG 267 HA -0.02 0.02 0.41 -0.75 4.34 3.99 2c7fB1 ARG 267 HB2 0.05 0.09 0.17 -0.04 1.90 2.17 2c7fB1 ARG 267 HB3 0.05 -0.05 0.02 -0.04 1.80 1.78 2c7fB1 ARG 267 HG2 0.11 -0.03 0.04 -0.04 1.67 1.75 2c7fB1 ARG 267 HG3 0.02 0.18 0.09 -0.04 1.67 1.91 2c7fB1 ARG 267 HD2 0.08 -0.03 -0.04 -0.04 3.22 3.19 2c7fB1 ARG 267 HD3 0.09 -0.03 -0.00 -0.04 3.22 3.24 2c7fB1 SER 268 H 0.09 0.56 -0.19 -0.55 8.46 8.38 2c7fB1 SER 268 HA 0.06 0.02 0.48 -0.75 4.49 4.30 2c7fB1 SER 268 HB2 0.35 0.16 0.20 -0.04 3.95 4.61 2c7fB1 SER 268 HB3 0.20 -0.09 0.02 -0.04 3.93 4.03 2c7fB1 VAL 269 H 0.01 0.47 -0.19 -0.55 8.24 7.98 2c7fB1 VAL 269 HA 0.03 -0.03 0.50 -0.75 4.13 3.88 2c7fB1 VAL 269 HB -0.14 0.17 0.13 -0.04 2.12 2.24 2c7fB1 VAL 269 HG13 -0.03 -0.01 -0.16 -0.04 0.97 0.73 2c7fB1 VAL 269 HG23 -0.02 0.01 0.02 -0.04 0.95 0.92 2c7fB1 ILE 270 H -0.02 0.56 -0.04 -0.55 8.25 8.21 2c7fB1 ILE 270 HA 0.01 0.07 0.47 -0.75 4.18 3.97 2c7fB1 ILE 270 HB 0.01 0.08 0.17 -0.04 1.89 2.11 2c7fB1 ILE 270 HG12 0.02 0.00 0.02 -0.04 1.49 1.50 2c7fB1 ILE 270 HG13 -0.03 0.11 0.06 -0.04 1.21 1.31 2c7fB1 ILE 270 HG23 0.04 0.00 -0.08 -0.04 0.93 0.84 2c7fB1 ILE 270 HD13 0.03 -0.02 -0.06 -0.04 0.88 0.80 2c7fB1 ALA 271 H 0.02 0.62 -0.13 -0.55 8.40 8.36 2c7fB1 ALA 271 HA 0.04 0.02 0.43 -0.75 4.34 4.07 2c7fB1 ALA 271 HB3 0.02 0.03 0.12 -0.04 1.41 1.54 2c7fB1 THR 272 H 0.02 0.46 -0.20 -0.55 8.28 8.01 2c7fB1 THR 272 HA 0.08 -0.00 0.48 -0.75 4.39 4.19 2c7fB1 THR 272 HB 0.02 0.13 0.16 -0.04 4.32 4.59 2c7fB1 THR 272 HG23 0.05 -0.03 -0.05 -0.04 1.22 1.15 2c7fB1 CYS 273 H 0.04 0.56 -0.16 -0.55 8.50 8.40 2c7fB1 CYS 273 HA 0.09 -0.01 0.45 -0.75 4.58 4.35 2c7fB1 CYS 273 HB2 0.02 0.17 0.23 -0.04 2.97 3.34 2c7fB1 CYS 273 HB3 0.01 -0.03 0.04 -0.04 2.97 2.95 2c7fB1 ASP 274 H 0.05 0.62 -0.05 -0.55 8.40 8.47 2c7fB1 ASP 274 HA 0.03 0.05 0.45 -0.75 4.63 4.39 2c7fB1 ASP 274 HB2 0.05 0.07 0.14 -0.04 2.71 2.92 2c7fB1 ASP 274 HB3 0.03 -0.05 0.04 -0.04 2.70 2.68 2c7fB1 TYR 275 H 0.16 0.47 -0.26 -0.55 8.29 8.11 2c7fB1 TYR 275 HA -0.03 0.02 0.53 -0.75 4.56 4.34 2c7fB1 TYR 275 HB2 -0.02 -0.02 0.12 -0.04 3.06 3.10 2c7fB1 TYR 275 HB3 -0.02 0.13 0.23 -0.04 2.98 3.29 2c7fB1 TYR 275 HD2 -0.03 0.03 0.03 -0.04 7.15 7.15 2c7fB1 TYR 275 HE2 -0.04 -0.03 -0.03 -0.04 6.85 6.72 2c7fB1 ILE 276 H 0.00 0.49 -0.07 -0.55 8.25 8.12 2c7fB1 ILE 276 HA -0.49 0.00 0.50 -0.75 4.18 3.44 2c7fB1 ILE 276 HB 0.08 0.12 0.11 -0.04 1.89 2.16 2c7fB1 ILE 276 HG12 0.09 0.16 0.14 -0.04 1.49 1.84 2c7fB1 ILE 276 HG13 0.06 -0.02 0.07 -0.04 1.21 1.28 2c7fB1 ILE 276 HG23 -0.11 -0.03 -0.20 -0.04 0.93 0.56 2c7fB1 ILE 276 HD13 -0.15 -0.05 0.01 -0.04 0.88 0.65 2c7fB1 LYS 277 H -0.05 0.54 -0.14 -0.55 8.42 8.22 2c7fB1 LYS 277 HA -0.44 0.01 0.47 -0.75 4.32 3.60 2c7fB1 LYS 277 HB2 0.08 0.05 0.14 -0.04 1.87 2.09 2c7fB1 LYS 277 HB3 -0.03 0.12 0.18 -0.04 1.79 2.02 2c7fB1 LYS 277 HG2 -0.07 -0.02 -0.15 -0.04 1.46 1.18 2c7fB1 LYS 277 HG3 0.02 0.14 -0.02 -0.04 1.46 1.56 2c7fB1 LYS 277 HD2 0.00 -0.04 -0.07 -0.04 1.69 1.54 2c7fB1 LYS 277 HD3 -0.01 -0.05 -0.01 -0.04 1.68 1.57 2c7fB1 LYS 277 HE2 -0.01 -0.09 -0.08 -0.04 2.99 2.77 2c7fB1 LYS 277 HE3 -0.03 0.03 -0.08 -0.04 2.99 2.88 2c7fB1 ALA 278 H -0.13 0.47 -0.21 -0.55 8.40 7.98 2c7fB1 ALA 278 HA -0.10 0.04 0.50 -0.75 4.34 4.02 2c7fB1 ALA 278 HB3 -0.07 0.03 0.13 -0.04 1.41 1.46 2c7fB1 LYS 279 H -0.31 0.36 -0.19 -0.55 8.42 7.72 2c7fB1 LYS 279 HA -0.19 -0.01 0.47 -0.75 4.32 3.84 2c7fB1 LYS 279 HB2 -0.52 0.03 0.16 -0.04 1.87 1.51 2c7fB1 LYS 279 HB3 -0.36 0.14 0.16 -0.04 1.79 1.70 2c7fB1 LYS 279 HG2 -0.20 0.02 -0.04 -0.04 1.46 1.19 2c7fB1 LYS 279 HG3 -0.19 -0.05 0.08 -0.04 1.46 1.26 2c7fB1 LYS 279 HD2 -0.34 -0.03 0.00 -0.04 1.69 1.28 2c7fB1 LYS 279 HD3 -0.29 0.01 0.01 -0.04 1.68 1.37 2c7fB1 LYS 279 HE2 -0.10 -0.02 0.01 -0.04 2.99 2.84 2c7fB1 LYS 279 HE3 -0.08 -0.06 -0.01 -0.04 2.99 2.79 2c7fB1 LYS 280 H -0.33 0.45 -0.21 -0.55 8.42 7.78 2c7fB1 LYS 280 HA -0.21 0.07 0.57 -0.75 4.32 3.99 2c7fB1 LYS 280 HB2 -0.59 0.04 0.11 -0.04 1.87 1.40 2c7fB1 LYS 280 HB3 -0.35 -0.07 0.05 -0.04 1.79 1.38 2c7fB1 LYS 280 HG2 -0.42 0.08 0.02 -0.04 1.46 1.10 2c7fB1 LYS 280 HG3 -0.82 -0.05 -0.03 -0.04 1.46 0.52 2c7fB1 LYS 280 HD2 -0.19 -0.06 0.02 -0.04 1.69 1.42 2c7fB1 LYS 280 HD3 -0.20 0.01 0.01 -0.04 1.68 1.45 2c7fB1 LYS 280 HE2 -0.19 -0.08 0.04 -0.04 2.99 2.72 2c7fB1 LYS 280 HE3 -0.11 0.00 0.06 -0.04 2.99 2.90 2c7fB1 ARG 281 H -0.18 0.23 -0.41 -0.55 8.46 7.55 2c7fB1 ARG 281 HA -0.10 0.03 0.32 -0.75 4.34 3.83 2c7fB1 ARG 281 HB2 -0.09 0.14 0.10 -0.04 1.90 2.00 2c7fB1 ARG 281 HB3 -0.07 -0.10 0.24 -0.04 1.80 1.83 2c7fB1 ARG 281 HG2 -0.06 -0.11 0.03 -0.04 1.67 1.49 2c7fB1 ARG 281 HG3 -0.08 0.09 0.07 -0.04 1.67 1.71 2c7fB1 ARG 281 HD2 -0.11 0.17 -0.31 -0.04 3.22 2.94 2c7fB1 ARG 281 HD3 -0.08 -0.03 -0.14 -0.04 3.22 2.92 2c7fB1 SER 282 H -0.20 0.37 -0.02 -0.55 8.46 8.07 2c7fB1 SER 282 HA -0.08 0.10 0.62 -0.75 4.49 4.38 2c7fB1 SER 282 HB2 -0.24 0.03 -0.02 -0.04 3.95 3.68 2c7fB1 SER 282 HB3 -0.20 0.07 0.09 -0.04 3.93 3.85 2c7fB1 LYS 283 H -0.02 0.13 0.17 -0.55 8.42 8.14 2c7fB1 LYS 283 HA -0.01 0.17 0.67 -0.75 4.32 4.39 2c7fB1 LYS 283 HB2 -0.01 -0.01 0.06 -0.04 1.87 1.88 2c7fB1 LYS 283 HB3 -0.00 -0.01 0.11 -0.04 1.79 1.84 2c7fB1 LYS 283 HG2 -0.02 0.01 -0.03 -0.04 1.46 1.39 2c7fB1 LYS 283 HG3 -0.02 0.04 -0.03 -0.04 1.46 1.41 2c7fB1 LYS 283 HD2 -0.01 -0.00 0.03 -0.04 1.69 1.66 2c7fB1 LYS 283 HD3 -0.01 -0.03 0.01 -0.04 1.68 1.62 2c7fB1 LYS 283 HE2 -0.02 0.05 0.02 -0.04 2.99 3.00 2c7fB1 LYS 283 HE3 -0.01 -0.04 0.01 -0.04 2.99 2.91 2c7fB1 LYS 284 H 0.04 -0.02 -0.11 -0.55 8.42 7.78 2c7fB1 LYS 284 HA -0.00 0.10 0.62 -0.75 4.32 4.28 2c7fB1 LYS 284 HB2 0.02 -0.05 0.04 -0.04 1.87 1.84 2c7fB1 LYS 284 HB3 0.11 -0.02 0.01 -0.04 1.79 1.84 2c7fB1 LYS 284 HG2 -0.12 0.11 -0.32 -0.04 1.46 1.10 2c7fB1 LYS 284 HG3 -0.03 -0.03 0.03 -0.04 1.46 1.40 2c7fB1 LYS 284 HD2 -0.08 0.02 -0.01 -0.04 1.69 1.58 2c7fB1 LYS 284 HD3 -0.04 -0.06 -0.02 -0.04 1.68 1.51 2c7fB1 LYS 284 HE2 -0.09 -0.16 -0.10 -0.04 2.99 2.61 2c7fB1 LYS 284 HE3 -0.31 -0.01 -0.08 -0.04 2.99 2.55 2c7fB1 ASP 285 H -0.11 0.16 0.15 -0.55 8.40 8.06 2c7fB1 ASP 285 HA -0.11 0.10 0.81 -0.75 4.63 4.67 2c7fB1 ASP 285 HB2 -0.41 -0.01 0.11 -0.04 2.71 2.35 2c7fB1 ASP 285 HB3 -0.48 0.09 -0.07 -0.04 2.70 2.20 2c7fB1 ILE 286 H -0.18 0.10 0.06 -0.55 8.25 7.67 2c7fB1 ILE 286 HA -0.32 0.23 0.70 -0.75 4.18 4.04 2c7fB1 ILE 286 HB -0.14 -0.09 0.08 -0.04 1.89 1.69 2c7fB1 ILE 286 HG12 -0.75 0.00 -0.07 -0.04 1.49 0.64 2c7fB1 ILE 286 HG13 -0.50 -0.08 -0.07 -0.04 1.21 0.51 2c7fB1 ILE 286 HG23 -0.08 -0.01 -0.28 -0.04 0.93 0.52 2c7fB1 ILE 286 HD13 -0.60 0.03 -0.18 -0.04 0.88 0.08 2c7fB1 TYR 287 H -0.08 0.57 0.34 -0.55 8.29 8.57 2c7fB1 TYR 287 HA 0.06 0.18 0.91 -0.75 4.56 4.96 2c7fB1 TYR 287 HB2 0.11 -0.02 0.10 -0.04 3.06 3.21 2c7fB1 TYR 287 HB3 0.22 0.06 0.17 -0.04 2.98 3.39 2c7fB1 TYR 287 HD2 -0.06 0.04 0.11 -0.04 7.15 7.20 2c7fB1 TYR 287 HE2 -0.01 0.04 0.07 -0.04 6.85 6.91 2c7fB1 LEU 288 H 0.27 0.86 0.34 -0.55 8.37 9.29 2c7fB1 LEU 288 HA 0.13 0.20 0.86 -0.75 4.35 4.78 2c7fB1 LEU 288 HB2 0.10 0.04 -0.09 -0.04 1.64 1.66 2c7fB1 LEU 288 HB3 0.05 -0.07 -0.08 -0.04 1.64 1.51 2c7fB1 LEU 288 HG -0.02 -0.01 -0.13 -0.04 1.64 1.43 2c7fB1 LEU 288 HD13 0.04 0.00 -0.27 -0.04 0.93 0.66 2c7fB1 LEU 288 HD23 -0.05 -0.01 -0.06 -0.04 0.89 0.72 2c7fB1 SER 289 H 0.09 0.76 0.31 -0.55 8.46 9.07 2c7fB1 SER 289 HA -0.02 0.31 0.95 -0.75 4.49 4.98 2c7fB1 SER 289 HB2 -0.26 0.05 -0.11 -0.04 3.95 3.59 2c7fB1 SER 289 HB3 0.04 -0.03 -0.03 -0.04 3.93 3.87 2c7fB1 PHE 290 H 0.19 0.73 0.16 -0.55 8.34 8.87 2c7fB1 PHE 290 HA 0.09 0.03 0.70 -0.75 4.62 4.69 2c7fB1 PHE 290 HB2 -0.02 0.08 0.12 -0.04 3.15 3.29 2c7fB1 PHE 290 HB3 0.07 -0.02 0.25 -0.04 3.06 3.32 2c7fB1 PHE 290 HD2 0.06 -0.00 -0.15 -0.04 7.28 7.14 2c7fB1 PHE 290 HE2 0.03 -0.00 -0.08 -0.04 7.38 7.29 2c7fB1 PHE 290 HZ 0.33 -0.06 -0.15 -0.04 7.32 7.39 2c7fB1 ASP 291 H 0.11 0.38 -0.03 -0.55 8.40 8.32 2c7fB1 ASP 291 HA 0.11 0.04 0.09 -0.75 4.63 4.12 2c7fB1 ASP 291 HB2 -0.11 -0.02 0.01 -0.04 2.71 2.55 2c7fB1 ASP 291 HB3 0.00 0.01 -0.20 -0.04 2.70 2.48 2c7fB1 GLU 292 H 0.24 0.25 -0.54 -0.55 8.60 8.01 2c7fB1 GLU 292 HA -0.04 0.15 0.42 -0.75 4.29 4.07 2c7fB1 GLU 292 HB2 -0.87 -0.06 -0.04 -0.04 2.09 1.08 2c7fB1 GLU 292 HB3 -0.26 -0.08 0.01 -0.04 1.99 1.62 2c7fB1 GLU 292 HG2 0.06 -0.00 0.04 -0.04 2.34 2.40 2c7fB1 GLU 292 HG3 -0.48 0.27 -0.00 -0.04 2.34 2.08 2c7fB1 TRP 293 H -0.15 0.44 0.30 -0.55 7.97 8.01 2c7fB1 TRP 293 HA -0.19 0.32 0.73 -0.75 4.62 4.72 2c7fB1 TRP 293 HB2 -0.18 -0.05 0.10 -0.04 3.23 3.05 2c7fB1 TRP 293 HB3 -0.10 0.02 -0.10 -0.04 3.23 3.02 2c7fB1 TRP 293 HD1 0.05 0.15 -0.14 -0.04 7.22 7.23 2c7fB1 TRP 293 HE1 0.06 0.12 -0.40 -0.04 10.20 9.94 2c7fB1 TRP 293 HE3 -0.03 -0.06 -0.28 -0.04 7.59 7.18 2c7fB1 TRP 293 HZ2 0.19 0.15 -0.08 -0.04 7.44 7.66 2c7fB1 TRP 293 HZ3 -0.02 -0.13 -0.04 -0.04 7.13 6.90 2c7fB1 TRP 293 HH2 0.09 0.02 -0.07 -0.04 7.19 7.18 2c7fB1 ASN 294 H 0.18 0.45 0.36 -0.55 8.53 8.98 2c7fB1 ASN 294 HA 0.06 0.02 0.32 -0.75 4.76 4.41 2c7fB1 ASN 294 HB2 -0.15 0.22 0.15 -0.04 2.88 3.05 2c7fB1 ASN 294 HB3 0.29 -0.05 -0.06 -0.04 2.79 2.93 2c7fB1 ASN 294 HD21 -0.20 -0.19 -0.11 -0.04 7.03 6.49 2c7fB1 ASN 294 HD22 -0.11 0.70 0.19 -0.04 7.74 8.48 2c7fB1 VAL 295 H 0.14 0.17 0.15 -0.55 8.24 8.15 2c7fB1 VAL 295 HA 0.44 0.11 0.90 -0.75 4.13 4.83 2c7fB1 VAL 295 HB 0.32 -0.01 0.10 -0.04 2.12 2.49 2c7fB1 VAL 295 HG13 0.62 -0.03 -0.08 -0.04 0.97 1.45 2c7fB1 VAL 295 HG23 0.27 0.01 0.00 -0.04 0.95 1.19 2c7fB1 TRP 296 H 0.50 0.66 0.16 -0.55 7.97 8.74 2c7fB1 TRP 296 HA 0.08 -0.06 0.56 -0.75 4.62 4.45 2c7fB1 TRP 296 HB2 0.01 0.24 -0.14 -0.04 3.23 3.30 2c7fB1 TRP 296 HB3 -0.04 0.00 -0.08 -0.04 3.23 3.07 2c7fB1 TRP 296 HD1 -0.10 -0.23 -0.17 -0.04 7.22 6.67 2c7fB1 TRP 296 HE1 -0.13 -0.05 -0.18 -0.04 10.20 9.80 2c7fB1 TRP 296 HE3 -2.04 0.04 -0.12 -0.04 7.59 5.42 2c7fB1 TRP 296 HZ2 -0.08 0.01 -0.09 -0.04 7.44 7.24 2c7fB1 TRP 296 HZ3 -0.52 0.01 -0.10 -0.04 7.13 6.47 2c7fB1 TRP 296 HH2 0.00 0.01 -0.09 -0.04 7.19 7.07 2c7fB1 TYR 297 H 0.11 -0.13 0.15 -0.55 8.29 7.86 2c7fB1 TYR 297 HA -0.17 0.17 0.39 -0.75 4.56 4.20 2c7fB1 TYR 297 HB2 -0.09 0.04 0.10 -0.04 3.06 3.08 2c7fB1 TYR 297 HB3 -0.06 0.20 -0.08 -0.04 2.98 3.01 2c7fB1 TYR 297 HD2 -0.03 0.09 -0.16 -0.04 7.15 7.01 2c7fB1 TYR 297 HE2 -0.11 0.15 -0.13 -0.04 6.85 6.71 2c7fB1 HIS 298 H -0.54 -0.02 0.16 -0.55 8.41 7.46 2c7fB1 HIS 298 HA -0.38 0.15 0.34 -0.75 4.63 3.98 2c7fB1 HIS 298 HB2 -0.33 -0.12 0.17 -0.04 3.26 2.95 2c7fB1 HIS 298 HB3 -0.25 0.13 0.06 -0.04 3.20 3.10 2c7fB1 HIS 298 HD2 -0.62 0.03 -0.01 -0.04 6.97 6.33 2c7fB1 HIS 298 HE1 0.00 -0.24 0.09 -0.04 7.75 7.56 2c7fB1 SER 299 H 0.05 0.03 -0.20 -0.55 8.46 7.79 2c7fB1 SER 299 HA -0.01 0.22 0.41 -0.75 4.49 4.35 2c7fB1 SER 299 HB2 -0.03 0.05 0.01 -0.04 3.95 3.94 2c7fB1 SER 299 HB3 -0.06 0.16 -0.46 -0.04 3.93 3.54 2c7fB1 ASN 300 H 0.03 0.34 -0.62 -0.55 8.53 7.73 2c7fB1 ASN 300 HA 0.05 0.05 0.26 -0.75 4.76 4.38 2c7fB1 ASN 300 HB2 -0.00 0.10 0.11 -0.04 2.88 3.05 2c7fB1 ASN 300 HB3 -0.03 0.06 -0.06 -0.04 2.79 2.71 2c7fB1 ASN 300 HD21 -0.21 0.00 0.03 -0.04 7.03 6.82 2c7fB1 ASN 300 HD22 -0.04 0.03 0.07 -0.04 7.74 7.76 2c7fB1 ASN 301 H 0.00 0.18 -0.04 -0.55 8.53 8.12 2c7fB1 ASN 301 HA -0.01 0.11 0.43 -0.75 4.76 4.54 2c7fB1 ASN 301 HB2 -0.01 0.00 0.10 -0.04 2.88 2.93 2c7fB1 ASN 301 HB3 -0.01 0.06 0.01 -0.04 2.79 2.81 2c7fB1 ASN 301 HD21 -0.00 0.02 0.02 -0.04 7.03 7.02 2c7fB1 ASN 301 HD22 -0.00 0.03 0.02 -0.04 7.74 7.74 2c7fB1 GLU 302 H -0.01 0.06 -0.24 -0.55 8.60 7.87 2c7fB1 GLU 302 HA -0.01 0.09 0.43 -0.75 4.29 4.05 2c7fB1 GLU 302 HB2 -0.02 -0.01 0.07 -0.04 2.09 2.08 2c7fB1 GLU 302 HB3 -0.02 -0.02 0.06 -0.04 1.99 1.97 2c7fB1 GLU 302 HG2 -0.03 0.01 -0.01 -0.04 2.34 2.27 2c7fB1 GLU 302 HG3 -0.03 0.05 -0.18 -0.04 2.34 2.15 2c7fB1 ASP 303 H 0.01 0.46 -0.22 -0.55 8.40 8.11 2c7fB1 ASP 303 HA 0.00 0.03 0.44 -0.75 4.63 4.35 2c7fB1 ASP 303 HB2 0.07 0.17 0.13 -0.04 2.71 3.03 2c7fB1 ASP 303 HB3 0.08 0.00 0.03 -0.04 2.70 2.77 2c7fB1 ALA 304 H 0.00 0.21 -0.58 -0.55 8.40 7.49 2c7fB1 ALA 304 HA 0.00 0.08 0.28 -0.75 4.34 3.95 2c7fB1 ALA 304 HB3 -0.01 0.02 0.10 -0.04 1.41 1.49 2c7fB1 ASN 305 H -0.01 0.07 0.06 -0.55 8.53 8.11 2c7fB1 ASN 305 HA -0.01 0.02 0.52 -0.75 4.76 4.53 2c7fB1 ASN 305 HB2 -0.01 0.08 0.13 -0.04 2.88 3.04 2c7fB1 ASN 305 HB3 -0.01 -0.01 -0.06 -0.04 2.79 2.67 2c7fB1 ASN 305 HD21 -0.01 -0.05 -0.02 -0.04 7.03 6.91 2c7fB1 ASN 305 HD22 -0.01 -0.05 -0.01 -0.04 7.74 7.62 2c7fB1 ILE 306 H -0.01 0.23 -0.64 -0.55 8.25 7.27 2c7fB1 ILE 306 HA -0.02 -0.02 -0.35 -0.75 4.18 3.04 2c7fB1 ILE 306 HB -0.01 0.08 0.07 -0.04 1.89 1.99 2c7fB1 ILE 306 HG12 -0.03 -0.05 -0.05 -0.04 1.49 1.33 2c7fB1 ILE 306 HG13 -0.02 0.02 -0.07 -0.04 1.21 1.10 2c7fB1 ILE 306 HG23 -0.03 -0.03 0.01 -0.04 0.93 0.84 2c7fB1 ILE 306 HD13 -0.03 -0.05 -0.20 -0.04 0.88 0.56 2c7fB1 MET 307 H -0.03 0.35 -0.33 -0.55 8.47 7.92 2c7fB1 MET 307 HA -0.08 -0.02 0.04 -0.75 4.52 3.71 2c7fB1 MET 307 HB2 -0.00 -0.06 -0.21 -0.04 2.15 1.84 2c7fB1 MET 307 HB3 -0.00 0.24 0.16 -0.04 2.03 2.39 2c7fB1 MET 307 HG2 0.00 -0.04 -0.08 -0.04 2.63 2.48 2c7fB1 MET 307 HG3 -0.04 -0.06 -0.16 -0.04 2.56 2.26 2c7fB1 MET 307 HE3 0.09 -0.02 -0.06 -0.04 2.10 2.06 2c7fB1 GLN 308 H -0.09 0.06 0.16 -0.55 8.47 8.05 2c7fB1 GLN 308 HA -0.04 -0.02 0.36 -0.75 4.36 3.91 2c7fB1 GLN 308 HB2 -0.03 0.01 0.37 -0.04 2.15 2.46 2c7fB1 GLN 308 HB3 -0.02 0.16 0.27 -0.04 2.02 2.38 2c7fB1 ASN 309 H -0.05 -0.02 0.13 -0.55 8.53 8.05 2c7fB1 GLU 310 H -0.04 0.29 -0.18 -0.55 8.60 8.12 2c7fB1 GLU 310 HA -0.01 0.04 -0.10 -0.75 4.29 3.46 2c7fB1 GLU 310 HB2 0.00 0.17 0.21 -0.04 2.09 2.43 2c7fB1 GLU 310 HB3 -0.01 -0.01 0.29 -0.04 1.99 2.22 2c7fB1 GLU 310 HG2 0.02 0.00 -0.26 -0.04 2.34 2.06 2c7fB1 GLU 310 HG3 0.03 0.02 -0.06 -0.04 2.34 2.29 2c7fB1 PRO 311 HA -0.30 0.25 0.84 -0.51 4.44 4.72 2c7fB1 PRO 311 HB2 -0.85 0.04 0.00 -0.04 2.28 1.43 2c7fB1 PRO 311 HB3 -0.81 0.04 0.19 -0.04 2.02 1.39 2c7fB1 PRO 311 HG2 -0.06 0.07 0.09 -0.04 2.03 2.09 2c7fB1 PRO 311 HG3 -0.16 -0.11 0.15 -0.04 2.03 1.87 2c7fB1 PRO 311 HD2 0.02 0.16 0.17 -0.04 3.68 3.99 2c7fB1 PRO 311 HD3 -0.03 0.01 0.17 -0.04 3.65 3.76 2c7fB1 TRP 312 H -0.19 0.58 0.38 -0.55 7.97 8.20 2c7fB1 TRP 312 HA 0.04 -0.01 0.31 -0.75 4.62 4.21 2c7fB1 TRP 312 HB2 0.02 0.14 -0.26 -0.04 3.23 3.09 2c7fB1 TRP 312 HB3 0.02 -0.04 -0.01 -0.04 3.23 3.17 2c7fB1 TRP 312 HD1 0.02 0.06 -0.17 -0.04 7.22 7.09 2c7fB1 TRP 312 HE1 0.02 -0.00 -0.05 -0.04 10.20 10.13 2c7fB1 TRP 312 HE3 0.06 0.01 -0.47 -0.04 7.59 7.14 2c7fB1 TRP 312 HZ2 0.03 0.01 -0.04 -0.04 7.44 7.40 2c7fB1 TRP 312 HZ3 0.07 0.00 -0.13 -0.04 7.13 7.04 2c7fB1 TRP 312 HH2 0.04 -0.04 -0.13 -0.04 7.19 7.02 2c7fB1 ARG 313 H 0.12 0.16 -0.01 -0.55 8.46 8.17 2c7fB1 ARG 313 HA 0.06 -0.01 0.38 -0.75 4.34 4.02 2c7fB1 ARG 313 HB2 0.01 -0.00 0.07 -0.04 1.90 1.93 2c7fB1 ARG 313 HB3 0.02 0.01 -0.11 -0.04 1.80 1.67 2c7fB1 ARG 313 HG2 0.03 -0.04 0.03 -0.04 1.67 1.65 2c7fB1 ARG 313 HG3 0.02 0.07 -0.16 -0.04 1.67 1.57 2c7fB1 ARG 313 HD2 -0.00 -0.01 0.05 -0.04 3.22 3.22 2c7fB1 ARG 313 HD3 -0.01 0.09 0.08 -0.04 3.22 3.33 2c7fB1 ILE 314 H 0.04 0.17 0.09 -0.55 8.25 7.99 2c7fB1 ILE 314 HA 0.03 0.19 0.90 -0.75 4.18 4.55 2c7fB1 ILE 314 HB -0.01 -0.02 0.14 -0.04 1.89 1.96 2c7fB1 ILE 314 HG12 -0.02 0.20 0.08 -0.04 1.49 1.71 2c7fB1 ILE 314 HG13 0.02 -0.00 -0.02 -0.04 1.21 1.16 2c7fB1 ILE 314 HG23 -0.12 -0.00 -0.11 -0.04 0.93 0.65 2c7fB1 ILE 314 HD13 -0.05 -0.01 0.00 -0.04 0.88 0.78 2c7fB1 ALA 315 H 0.03 0.12 0.10 -0.55 8.40 8.11 2c7fB1 ALA 315 HA 0.01 0.12 0.32 -0.75 4.34 4.03 2c7fB1 ALA 315 HB3 0.05 0.00 -0.06 -0.04 1.41 1.37 2c7fB1 PRO 316 HA -0.03 0.20 0.54 -0.51 4.44 4.64 2c7fB1 PRO 316 HB2 -0.03 0.03 -0.07 -0.04 2.28 2.16 2c7fB1 PRO 316 HB3 -0.02 0.09 0.02 -0.04 2.02 2.07 2c7fB1 PRO 316 HG2 -0.03 -0.12 0.04 -0.04 2.03 1.87 2c7fB1 PRO 316 HG3 0.00 0.17 0.00 -0.04 2.03 2.17 2c7fB1 PRO 316 HD2 -0.00 -0.05 0.13 -0.04 3.68 3.71 2c7fB1 PRO 316 HD3 0.02 0.13 -0.40 -0.04 3.65 3.37 2c7fB1 PRO 317 HA -0.10 0.08 0.42 -0.51 4.44 4.34 2c7fB1 PRO 317 HB2 -0.06 -0.03 0.19 -0.04 2.28 2.34 2c7fB1 PRO 317 HB3 -0.05 0.07 0.12 -0.04 2.02 2.12 2c7fB1 PRO 317 HG2 -0.04 0.01 0.08 -0.04 2.03 2.04 2c7fB1 PRO 317 HG3 -0.03 0.05 0.09 -0.04 2.03 2.09 2c7fB1 PRO 317 HD2 -0.03 0.11 0.14 -0.04 3.68 3.86 2c7fB1 PRO 317 HD3 -0.03 0.18 0.20 -0.04 3.65 3.97 2c7fB1 LEU 318 H -0.15 0.45 0.19 -0.55 8.37 8.31 2c7fB1 LEU 318 HA -0.11 0.13 0.58 -0.75 4.35 4.20 2c7fB1 LEU 318 HB2 -0.27 -0.06 0.06 -0.04 1.64 1.33 2c7fB1 LEU 318 HB3 -0.27 -0.04 -0.04 -0.04 1.64 1.25 2c7fB1 LEU 318 HG -0.07 0.01 -0.20 -0.04 1.64 1.34 2c7fB1 LEU 318 HD13 -0.02 0.00 0.02 -0.04 0.93 0.90 2c7fB1 LEU 318 HD23 0.01 0.02 -0.03 -0.04 0.89 0.85 2c7fB1 LEU 319 H -0.12 0.19 0.10 -0.55 8.37 7.99 2c7fB1 LEU 319 HA -0.16 -0.03 0.25 -0.75 4.35 3.66 2c7fB1 LEU 319 HB2 -0.53 0.11 -0.41 -0.04 1.64 0.78 2c7fB1 LEU 319 HB3 -0.64 -0.09 0.20 -0.04 1.64 1.07 2c7fB1 LEU 319 HG -0.50 -0.03 -0.04 -0.04 1.64 1.03 2c7fB1 LEU 319 HD13 -0.31 0.02 -0.09 -0.04 0.93 0.50 2c7fB1 LEU 319 HD23 -1.16 0.01 -0.11 -0.04 0.89 -0.41 2c7fB1 GLU 320 H -0.14 0.17 -0.35 -0.55 8.60 7.73 2c7fB1 GLU 320 HA -0.21 0.32 0.62 -0.75 4.29 4.26 2c7fB1 GLU 320 HB2 -0.10 -0.03 0.07 -0.04 2.09 1.99 2c7fB1 GLU 320 HB3 -0.11 0.04 0.03 -0.04 1.99 1.91 2c7fB1 GLU 320 HG2 -0.18 0.11 -0.28 -0.04 2.34 1.94 2c7fB1 GLU 320 HG3 -0.14 -0.01 -0.60 -0.04 2.34 1.55 2c7fB1 ASP 321 H -0.25 0.34 0.01 -0.55 8.40 7.95 2c7fB1 ASP 321 HA -0.16 -0.07 0.50 -0.75 4.63 4.14 2c7fB1 ASP 321 HB2 -0.43 0.13 0.18 -0.04 2.71 2.55 2c7fB1 ASP 321 HB3 -0.92 0.03 -0.10 -0.04 2.70 1.67 2c7fB1 ILE 322 H -0.17 0.12 0.15 -0.55 8.25 7.80 2c7fB1 ILE 322 HA -0.05 0.19 0.86 -0.75 4.18 4.43 2c7fB1 ILE 322 HB -0.13 -0.05 0.16 -0.04 1.89 1.83 2c7fB1 ILE 322 HG12 -0.09 -0.03 0.04 -0.04 1.49 1.37 2c7fB1 ILE 322 HG13 -0.05 0.00 0.04 -0.04 1.21 1.15 2c7fB1 ILE 322 HG23 0.14 0.01 0.00 -0.04 0.93 1.04 2c7fB1 ILE 322 HD13 0.06 0.03 -0.09 -0.04 0.88 0.84 2c7fB1 TYR 323 H 0.12 0.20 0.09 -0.55 8.29 8.14 2c7fB1 TYR 323 HA 0.27 -0.02 0.33 -0.75 4.56 4.39 2c7fB1 TYR 323 HB2 0.10 -0.12 0.16 -0.04 3.06 3.15 2c7fB1 TYR 323 HB3 0.13 0.04 0.01 -0.04 2.98 3.13 2c7fB1 TYR 323 HD2 0.06 -0.02 -0.02 -0.04 7.15 7.13 2c7fB1 TYR 323 HE2 0.00 0.03 -0.22 -0.04 6.85 6.61 2c7fB1 THR 324 H 0.42 -0.02 0.19 -0.55 8.28 8.32 2c7fB1 THR 324 HA 0.16 0.41 0.65 -0.75 4.39 4.86 2c7fB1 THR 324 HB 0.17 0.09 0.25 -0.04 4.32 4.80 2c7fB1 THR 324 HG23 0.09 0.06 0.03 -0.04 1.22 1.36 2c7fB1 PHE 325 H 0.26 0.42 0.14 -0.55 8.34 8.61 2c7fB1 PHE 325 HA 0.11 0.06 0.47 -0.75 4.62 4.51 2c7fB1 PHE 325 HB2 0.02 0.07 0.02 -0.04 3.15 3.21 2c7fB1 PHE 325 HB3 0.07 0.03 0.12 -0.04 3.06 3.23 2c7fB1 PHE 325 HD2 0.12 -0.05 -0.15 -0.04 7.28 7.16 2c7fB1 PHE 325 HE2 0.13 0.12 -0.24 -0.04 7.38 7.34 2c7fB1 PHE 325 HZ 0.13 0.19 0.02 -0.04 7.32 7.62 2c7fB1 GLU 326 H 0.17 0.58 0.11 -0.55 8.60 8.91 2c7fB1 GLU 326 HA -0.16 0.11 0.43 -0.75 4.29 3.92 2c7fB1 GLU 326 HB2 0.23 -0.00 0.02 -0.04 2.09 2.29 2c7fB1 GLU 326 HB3 0.13 0.02 0.10 -0.04 1.99 2.21 2c7fB1 GLU 326 HG2 0.17 0.18 0.05 -0.04 2.34 2.70 2c7fB1 GLU 326 HG3 0.21 -0.06 -0.14 -0.04 2.34 2.31 2c7fB1 ASP 327 H 0.23 0.12 -0.43 -0.55 8.40 7.77 2c7fB1 ASP 327 HA 0.43 0.05 0.42 -0.75 4.63 4.78 2c7fB1 ASP 327 HB2 0.31 0.25 0.06 -0.04 2.71 3.29 2c7fB1 ASP 327 HB3 0.31 0.03 -0.02 -0.04 2.70 2.97 2c7fB1 ALA 328 H 0.04 0.36 -0.29 -0.55 8.40 7.97 2c7fB1 ALA 328 HA -0.07 0.02 0.31 -0.75 4.34 3.84 2c7fB1 ALA 328 HB3 -0.00 0.05 -0.12 -0.04 1.41 1.29 2c7fB1 LEU 329 H -0.20 0.28 -0.38 -0.55 8.37 7.53 2c7fB1 LEU 329 HA -0.05 0.10 0.42 -0.75 4.35 4.06 2c7fB1 LEU 329 HB2 -0.14 0.13 0.12 -0.04 1.64 1.71 2c7fB1 LEU 329 HB3 -0.06 -0.05 -0.05 -0.04 1.64 1.44 2c7fB1 LEU 329 HG -0.91 0.16 -0.06 -0.04 1.64 0.79 2c7fB1 LEU 329 HD13 -0.18 -0.03 -0.06 -0.04 0.93 0.62 2c7fB1 LEU 329 HD23 0.01 0.02 -0.21 -0.04 0.89 0.67 2c7fB1 LEU 330 H -0.05 0.38 -0.16 -0.55 8.37 7.98 2c7fB1 LEU 330 HA -0.14 0.07 0.47 -0.75 4.35 4.00 2c7fB1 LEU 330 HB2 -0.49 0.01 0.02 -0.04 1.64 1.13 2c7fB1 LEU 330 HB3 -0.15 0.04 0.07 -0.04 1.64 1.56 2c7fB1 LEU 330 HG -0.13 -0.00 -0.23 -0.04 1.64 1.24 2c7fB1 LEU 330 HD13 -0.43 0.01 -0.01 -0.04 0.93 0.47 2c7fB1 LEU 330 HD23 -0.76 -0.01 -0.10 -0.04 0.89 -0.03 2c7fB1 VAL 331 H -0.00 0.54 -0.12 -0.55 8.24 8.10 2c7fB1 VAL 331 HA 0.25 0.01 0.39 -0.75 4.13 4.03 2c7fB1 VAL 331 HB -0.05 0.06 0.11 -0.04 2.12 2.21 2c7fB1 VAL 331 HG13 0.18 0.04 -0.14 -0.04 0.97 1.01 2c7fB1 VAL 331 HG23 0.01 0.00 0.01 -0.04 0.95 0.93 2c7fB1 GLY 332 H -0.12 0.44 -0.35 -0.55 8.43 7.85 2c7fB1 GLY 332 HA2 -0.41 0.07 0.37 -0.51 4.01 3.54 2c7fB1 GLY 332 HA3 -0.14 0.07 0.25 -0.51 4.01 3.68 2c7fB1 LEU 333 H 0.03 0.45 -0.14 -0.55 8.37 8.16 2c7fB1 LEU 333 HA 0.10 0.06 0.43 -0.75 4.35 4.19 2c7fB1 LEU 333 HB2 -0.06 0.04 0.21 -0.04 1.64 1.80 2c7fB1 LEU 333 HB3 -0.04 -0.08 0.00 -0.04 1.64 1.48 2c7fB1 LEU 333 HG 0.06 0.04 0.04 -0.04 1.64 1.73 2c7fB1 LEU 333 HD13 -0.07 -0.01 -0.02 -0.04 0.93 0.79 2c7fB1 LEU 333 HD23 0.02 0.00 -0.00 -0.04 0.89 0.86 2c7fB1 MET 334 H -0.04 0.66 -0.16 -0.55 8.47 8.39 2c7fB1 MET 334 HA -0.15 -0.03 0.44 -0.75 4.52 4.03 2c7fB1 MET 334 HB2 -0.08 0.13 0.11 -0.04 2.15 2.27 2c7fB1 MET 334 HB3 -0.47 -0.01 -0.05 -0.04 2.03 1.46 2c7fB1 MET 334 HG2 0.06 -0.07 -0.06 -0.04 2.63 2.53 2c7fB1 MET 334 HG3 0.01 0.13 -0.05 -0.04 2.56 2.60 2c7fB1 MET 334 HE3 0.27 0.00 -0.08 -0.04 2.10 2.25 2c7fB1 LEU 335 H -0.14 0.53 -0.21 -0.55 8.37 8.01 2c7fB1 LEU 335 HA -0.36 0.05 0.40 -0.75 4.35 3.68 2c7fB1 LEU 335 HB2 0.05 0.10 0.10 -0.04 1.64 1.85 2c7fB1 LEU 335 HB3 0.12 0.02 -0.07 -0.04 1.64 1.67 2c7fB1 LEU 335 HG -0.02 -0.03 -0.02 -0.04 1.64 1.52 2c7fB1 LEU 335 HD13 -0.05 -0.00 -0.28 -0.04 0.93 0.56 2c7fB1 LEU 335 HD23 -0.01 0.01 -0.04 -0.04 0.89 0.81 2c7fB1 ILE 336 H 0.11 0.45 -0.26 -0.55 8.25 8.00 2c7fB1 ILE 336 HA 0.14 0.05 0.41 -0.75 4.18 4.03 2c7fB1 ILE 336 HB 0.11 0.09 0.11 -0.04 1.89 2.16 2c7fB1 ILE 336 HG12 0.22 -0.01 -0.08 -0.04 1.49 1.57 2c7fB1 ILE 336 HG13 0.42 0.06 -0.04 -0.04 1.21 1.61 2c7fB1 ILE 336 HG23 0.04 -0.02 -0.34 -0.04 0.93 0.57 2c7fB1 ILE 336 HD13 0.17 -0.01 -0.25 -0.04 0.88 0.75 2c7fB1 THR 337 H -0.04 0.47 -0.21 -0.55 8.28 7.95 2c7fB1 THR 337 HA 0.01 0.02 0.38 -0.75 4.39 4.05 2c7fB1 THR 337 HB -0.10 0.10 0.12 -0.04 4.32 4.39 2c7fB1 THR 337 HG23 0.08 -0.03 -0.11 -0.04 1.22 1.11 2c7fB1 LEU 338 H -0.21 0.59 -0.15 -0.55 8.37 8.06 2c7fB1 LEU 338 HA -0.11 -0.04 0.36 -0.75 4.35 3.81 2c7fB1 LEU 338 HB2 -0.31 0.15 0.10 -0.04 1.64 1.53 2c7fB1 LEU 338 HB3 -0.27 0.01 -0.07 -0.04 1.64 1.27 2c7fB1 LEU 338 HG -0.72 0.16 -0.00 -0.04 1.64 1.03 2c7fB1 LEU 338 HD13 -1.19 -0.00 -0.09 -0.04 0.93 -0.40 2c7fB1 LEU 338 HD23 -0.67 -0.04 -0.04 -0.04 0.89 0.10 2c7fB1 MET 339 H -0.06 0.51 -0.30 -0.55 8.47 8.07 2c7fB1 MET 339 HA -0.06 0.04 0.37 -0.75 4.52 4.11 2c7fB1 MET 339 HB2 0.01 0.12 0.14 -0.04 2.15 2.38 2c7fB1 MET 339 HB3 -0.04 -0.08 -0.06 -0.04 2.03 1.82 2c7fB1 MET 339 HG2 0.05 -0.01 -0.03 -0.04 2.63 2.60 2c7fB1 MET 339 HG3 0.03 0.02 -0.02 -0.04 2.56 2.55 2c7fB1 MET 339 HE3 -0.26 -0.02 -0.09 -0.04 2.10 1.68 2c7fB1 LYS 340 H -0.05 0.44 -0.24 -0.55 8.42 8.01 2c7fB1 LYS 340 HA -0.12 0.03 0.46 -0.75 4.32 3.93 2c7fB1 LYS 340 HB2 -0.17 0.19 0.15 -0.04 1.87 2.00 2c7fB1 LYS 340 HB3 -0.35 -0.08 0.06 -0.04 1.79 1.37 2c7fB1 LYS 340 HG2 -0.10 -0.01 0.08 -0.04 1.46 1.40 2c7fB1 LYS 340 HG3 -0.06 0.25 0.02 -0.04 1.46 1.63 2c7fB1 LYS 340 HD2 -0.06 -0.06 0.02 -0.04 1.69 1.55 2c7fB1 LYS 340 HD3 -0.10 -0.02 0.06 -0.04 1.68 1.58 2c7fB1 LYS 340 HE2 -0.04 0.14 -0.01 -0.04 2.99 3.04 2c7fB1 LYS 340 HE3 -0.02 -0.06 -0.16 -0.04 2.99 2.71 2c7fB1 HIS 341 H 0.02 0.41 -0.49 -0.55 8.41 7.82 2c7fB1 HIS 341 HA 0.01 0.13 0.84 -0.75 4.63 4.86 2c7fB1 HIS 341 HB2 -0.01 0.11 0.13 -0.04 3.26 3.46 2c7fB1 HIS 341 HB3 0.02 -0.15 0.21 -0.04 3.20 3.24 2c7fB1 HIS 341 HD2 -0.02 0.30 0.00 -0.04 6.97 7.20 2c7fB1 HIS 341 HE1 0.02 -0.02 -0.02 -0.04 7.75 7.69 2c7fB1 ALA 342 H -0.01 0.40 -0.39 -0.55 8.40 7.85 2c7fB1 ALA 342 HA 0.01 0.25 0.47 -0.75 4.34 4.32 2c7fB1 ALA 342 HB3 -0.03 -0.01 0.05 -0.04 1.41 1.38 2c7fB1 ASP 343 H 0.05 0.04 -0.48 -0.55 8.40 7.46 2c7fB1 ASP 343 HA 0.06 0.12 0.55 -0.75 4.63 4.61 2c7fB1 ASP 343 HB2 0.09 0.00 0.04 -0.04 2.71 2.80 2c7fB1 ASP 343 HB3 0.05 0.14 -0.06 -0.04 2.70 2.78 2c7fB1 ARG 344 H 0.13 0.21 -0.16 -0.55 8.46 8.09 2c7fB1 ARG 344 HA 0.36 0.24 0.95 -0.75 4.34 5.14 2c7fB1 ARG 344 HB2 0.12 -0.00 0.09 -0.04 1.90 2.07 2c7fB1 ARG 344 HB3 0.11 -0.05 0.07 -0.04 1.80 1.89 2c7fB1 ARG 344 HG2 0.11 -0.05 -0.19 -0.04 1.67 1.50 2c7fB1 ARG 344 HG3 0.07 -0.05 -0.02 -0.04 1.67 1.63 2c7fB1 ARG 344 HD2 0.16 0.21 -0.03 -0.04 3.22 3.52 2c7fB1 ARG 344 HD3 0.05 -0.03 -0.07 -0.04 3.22 3.13 2c7fB1 ILE 345 H 0.12 0.69 0.26 -0.55 8.25 8.77 2c7fB1 ILE 345 HA 0.12 0.10 0.89 -0.75 4.18 4.53 2c7fB1 ILE 345 HB 0.04 0.13 0.06 -0.04 1.89 2.08 2c7fB1 ILE 345 HG12 0.11 -0.10 -0.01 -0.04 1.49 1.45 2c7fB1 ILE 345 HG13 0.10 -0.01 0.09 -0.04 1.21 1.35 2c7fB1 ILE 345 HG23 0.05 -0.03 -0.16 -0.04 0.93 0.75 2c7fB1 ILE 345 HD13 0.07 -0.01 0.00 -0.04 0.88 0.91 2c7fB1 LYS 346 H 0.09 0.33 0.30 -0.55 8.42 8.59 2c7fB1 LYS 346 HA -0.03 0.21 0.85 -0.75 4.32 4.59 2c7fB1 LYS 346 HB2 0.16 -0.03 -0.03 -0.04 1.87 1.93 2c7fB1 LYS 346 HB3 -0.01 -0.06 0.01 -0.04 1.79 1.68 2c7fB1 LYS 346 HG2 -0.01 0.06 -0.38 -0.04 1.46 1.09 2c7fB1 LYS 346 HG3 -0.45 -0.02 -0.08 -0.04 1.46 0.87 2c7fB1 LYS 346 HD2 -0.15 -0.11 -0.01 -0.04 1.69 1.38 2c7fB1 LYS 346 HD3 -0.06 0.14 -0.11 -0.04 1.68 1.61 2c7fB1 LYS 346 HE2 -0.04 0.09 -0.36 -0.04 2.99 2.64 2c7fB1 LYS 346 HE3 -0.39 -0.09 -0.04 -0.04 2.99 2.43 2c7fB1 ILE 347 H -0.05 0.29 0.22 -0.55 8.25 8.17 2c7fB1 ILE 347 HA -0.06 0.24 0.37 -0.75 4.18 3.98 2c7fB1 ILE 347 HB -0.25 -0.13 -0.03 -0.04 1.89 1.43 2c7fB1 ILE 347 HG12 -0.15 0.08 -0.15 -0.04 1.49 1.23 2c7fB1 ILE 347 HG13 -0.32 -0.08 -0.58 -0.04 1.21 0.20 2c7fB1 ILE 347 HG23 -0.05 0.01 -0.21 -0.04 0.93 0.63 2c7fB1 ILE 347 HD13 -0.59 -0.01 -0.19 -0.04 0.88 0.05 2c7fB1 ALA 348 H 0.04 0.74 0.24 -0.55 8.40 8.88 2c7fB1 ALA 348 HA 0.23 -0.06 0.26 -0.75 4.34 4.02 2c7fB1 ALA 348 HB3 0.10 0.08 0.01 -0.04 1.41 1.56 2c7fB1 CYS 349 H 0.40 0.64 0.04 -0.55 8.50 9.03 2c7fB1 CYS 349 HA 0.19 0.38 0.44 -0.75 4.58 4.84 2c7fB1 CYS 349 HB2 0.04 -0.02 -0.23 -0.04 2.97 2.72 2c7fB1 CYS 349 HB3 0.09 -0.03 -0.50 -0.04 2.97 2.50 2c7fB1 LEU 350 H 0.03 0.65 0.15 -0.55 8.37 8.65 2c7fB1 LEU 350 HA -1.48 0.18 0.73 -0.75 4.35 3.03 2c7fB1 LEU 350 HB2 -0.46 0.04 0.09 -0.04 1.64 1.27 2c7fB1 LEU 350 HB3 -0.45 0.02 0.16 -0.04 1.64 1.32 2c7fB1 LEU 350 HG -0.55 0.06 -0.28 -0.04 1.64 0.83 2c7fB1 LEU 350 HD13 -1.08 0.02 0.04 -0.04 0.93 -0.13 2c7fB1 LEU 350 HD23 -0.66 -0.02 -0.06 -0.04 0.89 0.11 2c7fB1 ALA 351 H -0.40 0.44 0.26 -0.55 8.40 8.16 2c7fB1 ALA 351 HA 0.00 0.06 0.85 -0.75 4.34 4.50 2c7fB1 ALA 351 HB3 0.22 -0.03 0.01 -0.04 1.41 1.57 2c7fB1 GLN 352 H -0.24 0.53 0.12 -0.55 8.47 8.33 2c7fB1 GLN 352 HA -0.19 0.17 0.60 -0.75 4.36 4.19 2c7fB1 GLN 352 HB2 -0.38 0.22 0.07 -0.04 2.15 2.02 2c7fB1 GLN 352 HB3 -0.45 0.05 0.35 -0.04 2.02 1.93 2c7fB1 GLN 352 HG2 -0.46 0.01 0.00 -0.04 2.40 1.91 2c7fB1 GLN 352 HG3 -0.35 -0.02 -0.21 -0.04 2.39 1.77 2c7fB1 GLN 352 HE21 -0.48 -0.11 -0.10 -0.04 6.97 6.23 2c7fB1 GLN 352 HE22 -0.28 0.02 -0.13 -0.04 7.69 7.26 2c7fB1 LEU 353 H -0.26 0.21 0.28 -0.55 8.37 8.06 2c7fB1 LEU 353 HA -0.23 0.21 0.28 -0.75 4.35 3.86 2c7fB1 LEU 353 HB2 -0.07 -0.05 0.00 -0.04 1.64 1.48 2c7fB1 LEU 353 HB3 -0.08 -0.03 0.05 -0.04 1.64 1.54 2c7fB1 LEU 353 HG 0.01 -0.04 -0.03 -0.04 1.64 1.54 2c7fB1 LEU 353 HD13 -0.20 0.02 0.03 -0.04 0.93 0.74 2c7fB1 LEU 353 HD23 0.15 0.00 -0.10 -0.04 0.89 0.90 2c7fB1 ILE 354 H -0.23 0.16 -0.34 -0.55 8.25 7.29 2c7fB1 ILE 354 HA -0.18 0.18 0.31 -0.75 4.18 3.74 2c7fB1 ILE 354 HB -0.22 -0.08 0.14 -0.04 1.89 1.68 2c7fB1 ILE 354 HG12 -0.08 0.36 -1.10 -0.04 1.49 0.63 2c7fB1 ILE 354 HG13 -0.03 -0.00 -0.14 -0.04 1.21 0.99 2c7fB1 ILE 354 HG23 -0.21 0.01 -0.08 -0.04 0.93 0.61 2c7fB1 ILE 354 HD13 0.03 0.01 -0.14 -0.04 0.88 0.73 2c7fB1 ASN 355 H -0.24 0.80 0.31 -0.55 8.53 8.85 2c7fB1 ASN 355 HA -0.25 0.00 0.43 -0.75 4.76 4.19 2c7fB1 ASN 355 HB2 -0.22 0.16 -0.28 -0.04 2.88 2.50 2c7fB1 ASN 355 HB3 -0.20 -0.05 -0.09 -0.04 2.79 2.41 2c7fB1 ASN 355 HD21 -0.13 -0.04 0.10 -0.04 7.03 6.92 2c7fB1 ASN 355 HD22 -0.16 0.64 -0.00 -0.04 7.74 8.18 2c7fB1 VAL 356 H -0.30 0.69 -0.01 -0.55 8.24 8.08 2c7fB1 VAL 356 HA -0.35 0.15 0.48 -0.75 4.13 3.66 2c7fB1 VAL 356 HB -0.41 -0.00 0.13 -0.04 2.12 1.80 2c7fB1 VAL 356 HG13 -0.57 -0.03 -0.20 -0.04 0.97 0.13 2c7fB1 VAL 356 HG23 -0.40 0.04 -0.05 -0.04 0.95 0.49 2c7fB1 ILE 357 H -0.36 0.70 0.39 -0.55 8.25 8.43 2c7fB1 ILE 357 HA -0.16 -0.11 0.44 -0.75 4.18 3.59 2c7fB1 ILE 357 HB -0.10 0.16 0.26 -0.04 1.89 2.18 2c7fB1 ILE 357 HG12 -0.70 -0.13 -0.35 -0.04 1.49 0.27 2c7fB1 ILE 357 HG13 -0.36 0.07 -0.34 -0.04 1.21 0.54 2c7fB1 ILE 357 HG23 -0.69 -0.04 0.13 -0.04 0.93 0.29 2c7fB1 ILE 357 HD13 -0.81 0.00 -0.14 -0.04 0.88 -0.11 2c7fB1 ALA 358 H -0.01 0.16 -0.16 -0.55 8.40 7.85 2c7fB1 ALA 358 HA -0.17 0.52 0.55 -0.75 4.34 4.49 2c7fB1 ALA 358 HB3 -0.21 0.05 -0.51 -0.04 1.41 0.70 2c7fB1 PRO 359 HA -0.08 -0.11 0.65 -0.51 4.44 4.40 2c7fB1 PRO 359 HB2 -0.12 0.03 -0.00 -0.04 2.28 2.14 2c7fB1 PRO 359 HB3 -0.26 0.00 -0.13 -0.04 2.02 1.59 2c7fB1 PRO 359 HG2 -0.28 0.15 0.01 -0.04 2.03 1.88 2c7fB1 PRO 359 HG3 -0.50 0.12 -0.00 -0.04 2.03 1.61 2c7fB1 PRO 359 HD2 -0.25 0.19 0.03 -0.04 3.68 3.60 2c7fB1 PRO 359 HD3 -0.32 0.20 0.07 -0.04 3.65 3.57 2c7fB1 ILE 360 H -0.17 0.22 -0.14 -0.55 8.25 7.61 2c7fB1 ILE 360 HA -0.20 0.27 1.01 -0.75 4.18 4.50 2c7fB1 ILE 360 HB -0.11 0.17 0.25 -0.04 1.89 2.16 2c7fB1 ILE 360 HG12 0.13 -0.00 -0.11 -0.04 1.49 1.47 2c7fB1 ILE 360 HG13 0.06 -0.11 -0.34 -0.04 1.21 0.77 2c7fB1 ILE 360 HG23 -0.10 -0.03 -0.17 -0.04 0.93 0.59 2c7fB1 ILE 360 HD13 0.00 0.08 -0.16 -0.04 0.88 0.75 2c7fB1 VAL 361 H -0.64 0.61 0.25 -0.55 8.24 7.91 2c7fB1 VAL 361 HA -0.39 0.08 0.96 -0.75 4.13 4.03 2c7fB1 VAL 361 HB -2.04 -0.03 -0.05 -0.04 2.12 -0.04 2c7fB1 VAL 361 HG13 -0.29 -0.01 -0.24 -0.04 0.97 0.39 2c7fB1 VAL 361 HG23 -0.53 0.00 -0.25 -0.04 0.95 0.14 2c7fB1 THR 362 H -0.21 0.26 0.09 -0.55 8.28 7.88 2c7fB1 THR 362 HA -0.05 -0.03 0.78 -0.75 4.39 4.34 2c7fB1 THR 362 HB -0.03 -0.13 -0.16 -0.04 4.32 3.96 2c7fB1 THR 362 HG23 -0.06 0.05 -0.18 -0.04 1.22 0.98 2c7fB1 GLU 363 H 0.10 -0.40 -0.09 -0.55 8.60 7.65 2c7fB1 GLU 363 HA 0.19 0.07 0.13 -0.75 4.29 3.93 2c7fB1 GLU 363 HB2 0.09 -0.06 -0.26 -0.04 2.09 1.82 2c7fB1 GLU 363 HB3 0.06 0.19 0.02 -0.04 1.99 2.22 2c7fB1 GLU 363 HG2 0.19 -0.13 0.09 -0.04 2.34 2.45 2c7fB1 GLU 363 HG3 0.06 0.10 0.05 -0.04 2.34 2.50 2c7fB1 ARG 364 H 0.02 0.15 -0.08 -0.55 8.46 8.00 2c7fB1 ARG 364 HA -0.01 0.12 0.42 -0.75 4.34 4.11 2c7fB1 ARG 364 HB2 0.01 -0.06 -0.62 -0.04 1.90 1.19 2c7fB1 ARG 364 HB3 -0.00 0.00 -0.15 -0.04 1.80 1.61 2c7fB1 ARG 364 HG2 -0.02 0.07 0.26 -0.04 1.67 1.94 2c7fB1 ARG 364 HG3 -0.01 0.00 0.09 -0.04 1.67 1.71 2c7fB1 ARG 364 HD2 -0.01 -0.06 0.02 -0.04 3.22 3.13 2c7fB1 ARG 364 HD3 -0.02 0.04 0.08 -0.04 3.22 3.28 2c7fB1 ASN 365 H -0.01 0.17 0.11 -0.55 8.53 8.25 2c7fB1 ASN 365 HA -0.01 -0.01 0.26 -0.75 4.76 4.24 2c7fB1 ASN 365 HB2 -0.01 0.06 0.31 -0.04 2.88 3.20 2c7fB1 ASN 365 HB3 -0.01 0.00 0.17 -0.04 2.79 2.91 2c7fB1 ASN 365 HD21 -0.01 0.01 -0.09 -0.04 7.03 6.90 2c7fB1 ASN 365 HD22 -0.01 0.07 -0.14 -0.04 7.74 7.62 2c7fB1 GLY 366 H -0.01 -0.01 -0.30 -0.55 8.43 7.56 2c7fB1 GLY 366 HA2 0.00 0.31 -0.07 -0.51 4.01 3.74 2c7fB1 GLY 366 HA3 0.01 -0.35 0.08 -0.51 4.01 3.24 2c7fB1 GLY 367 H 0.01 0.09 0.10 -0.55 8.43 8.08 2c7fB1 GLY 367 HA2 0.01 -0.01 -0.02 -0.51 4.01 3.48 2c7fB1 GLY 367 HA3 0.02 0.17 0.22 -0.51 4.01 3.91 2c7fB1 ALA 368 H 0.12 -0.33 0.24 -0.55 8.40 7.88 2c7fB1 ALA 368 HA 0.05 0.06 0.06 -0.75 4.34 3.75 2c7fB1 ALA 368 HB3 0.08 0.05 0.07 -0.04 1.41 1.58 2c7fB1 ALA 369 H 0.33 -0.04 0.18 -0.55 8.40 8.32 2c7fB1 ALA 369 HA -0.07 0.41 0.71 -0.75 4.34 4.64 2c7fB1 ALA 369 HB3 0.01 0.04 0.17 -0.04 1.41 1.59 2c7fB1 TRP 370 H -0.31 0.39 0.32 -0.55 7.97 7.82 2c7fB1 TRP 370 HA -0.11 0.14 0.67 -0.75 4.62 4.57 2c7fB1 TRP 370 HB2 -0.07 0.03 -0.01 -0.04 3.23 3.14 2c7fB1 TRP 370 HB3 -0.06 0.19 -0.22 -0.04 3.23 3.10 2c7fB1 TRP 370 HD1 -0.04 -0.26 -0.21 -0.04 7.22 6.67 2c7fB1 TRP 370 HE1 -0.04 -0.02 -0.23 -0.04 10.20 9.86 2c7fB1 TRP 370 HE3 -0.04 0.27 -0.54 -0.04 7.59 7.24 2c7fB1 TRP 370 HZ2 -0.05 0.04 -0.13 -0.04 7.44 7.26 2c7fB1 TRP 370 HZ3 0.00 -0.09 -0.35 -0.04 7.13 6.66 2c7fB1 TRP 370 HH2 -0.03 0.03 -0.10 -0.04 7.19 7.05 2c7fB1 ARG 371 H 0.13 0.16 0.18 -0.55 8.46 8.38 2c7fB1 ARG 371 HA -0.23 0.30 0.91 -0.75 4.34 4.57 2c7fB1 ARG 371 HB2 -0.32 -0.05 0.16 -0.04 1.90 1.65 2c7fB1 ARG 371 HB3 -0.86 0.07 0.12 -0.04 1.80 1.09 2c7fB1 ARG 371 HG2 -1.21 0.07 -0.03 -0.04 1.67 0.47 2c7fB1 ARG 371 HG3 -0.41 -0.10 0.03 -0.04 1.67 1.15 2c7fB1 ARG 371 HD2 -0.53 -0.03 0.03 -0.04 3.22 2.65 2c7fB1 ARG 371 HD3 -2.25 0.04 -0.01 -0.04 3.22 0.96 2c7fB1 GLN 372 H -0.07 0.70 0.31 -0.55 8.47 8.87 2c7fB1 GLN 372 HA 0.31 0.08 0.69 -0.75 4.36 4.69 2c7fB1 GLN 372 HB2 0.05 0.02 0.20 -0.04 2.15 2.38 2c7fB1 GLN 372 HB3 0.25 -0.22 0.22 -0.04 2.02 2.23 2c7fB1 GLN 372 HG2 -0.33 -0.02 -0.14 -0.04 2.40 1.87 2c7fB1 GLN 372 HG3 -0.20 0.14 -0.17 -0.04 2.39 2.12 2c7fB1 GLN 372 HE21 -0.15 0.61 0.25 -0.04 6.97 7.63 2c7fB1 GLN 372 HE22 -0.09 0.15 0.01 -0.04 7.69 7.72 2c7fB1 THR 373 H 0.23 0.16 0.16 -0.55 8.28 8.29 2c7fB1 THR 373 HA 0.24 0.19 0.39 -0.75 4.39 4.45 2c7fB1 THR 373 HB 0.23 0.00 -0.06 -0.04 4.32 4.45 2c7fB1 THR 373 HG23 0.22 -0.01 -0.10 -0.04 1.22 1.30 2c7fB1 ILE 374 H 0.02 0.04 -0.21 -0.55 8.25 7.55 2c7fB1 ILE 374 HA -0.08 0.08 0.31 -0.75 4.18 3.74 2c7fB1 ILE 374 HB -0.25 0.08 0.02 -0.04 1.89 1.70 2c7fB1 ILE 374 HG12 -0.39 -0.09 -0.11 -0.04 1.49 0.86 2c7fB1 ILE 374 HG13 -0.20 0.08 -0.29 -0.04 1.21 0.76 2c7fB1 ILE 374 HG23 -0.37 -0.03 -0.19 -0.04 0.93 0.30 2c7fB1 ILE 374 HD13 -0.55 0.01 -0.30 -0.04 0.88 0.01 2c7fB1 PHE 375 H 0.04 0.26 -0.58 -0.55 8.34 7.51 2c7fB1 PHE 375 HA -0.24 0.07 0.42 -0.75 4.62 4.12 2c7fB1 PHE 375 HB2 -0.28 -0.01 0.20 -0.04 3.15 3.02 2c7fB1 PHE 375 HB3 -0.56 0.09 0.10 -0.04 3.06 2.65 2c7fB1 PHE 375 HD2 -0.54 0.01 -0.25 -0.04 7.28 6.45 2c7fB1 PHE 375 HE2 -0.14 0.03 -0.09 -0.04 7.38 7.13 2c7fB1 PHE 375 HZ -0.11 0.07 -0.04 -0.04 7.32 7.21 2c7fB1 TYR 376 H 0.07 0.26 -0.17 -0.55 8.29 7.90 2c7fB1 TYR 376 HA -0.01 0.10 0.25 -0.75 4.56 4.14 2c7fB1 TYR 376 HB2 0.04 0.06 0.05 -0.04 3.06 3.17 2c7fB1 TYR 376 HB3 -0.08 -0.00 -0.06 -0.04 2.98 2.79 2c7fB1 TYR 376 HD2 0.11 0.04 -0.01 -0.04 7.15 7.25 2c7fB1 TYR 376 HE2 0.09 0.07 0.06 -0.04 6.85 7.04 2c7fB1 PRO 377 HA -1.14 0.07 0.45 -0.51 4.44 3.31 2c7fB1 PRO 377 HB2 -0.50 0.05 -0.12 -0.04 2.28 1.67 2c7fB1 PRO 377 HB3 -1.58 -0.01 0.03 -0.04 2.02 0.41 2c7fB1 PRO 377 HG2 -0.29 0.02 0.07 -0.04 2.03 1.79 2c7fB1 PRO 377 HG3 -0.55 -0.01 -0.02 -0.04 2.03 1.40 2c7fB1 PRO 377 HD2 -0.13 0.16 -0.28 -0.04 3.68 3.40 2c7fB1 PRO 377 HD3 -0.02 0.14 0.09 -0.04 3.65 3.82 2c7fB1 PHE 378 H -0.08 0.29 -0.35 -0.55 8.34 7.66 2c7fB1 PHE 378 HA -0.04 0.04 0.45 -0.75 4.62 4.31 2c7fB1 PHE 378 HB2 -0.15 -0.05 0.08 -0.04 3.15 2.99 2c7fB1 PHE 378 HB3 -0.32 0.16 0.13 -0.04 3.06 2.99 2c7fB1 PHE 378 HD2 -0.06 -0.01 -0.18 -0.04 7.28 6.99 2c7fB1 PHE 378 HE2 0.10 0.11 -0.06 -0.04 7.38 7.49 2c7fB1 PHE 378 HZ 0.13 0.22 -0.30 -0.04 7.32 7.33 2c7fB1 MET 379 H -0.12 0.43 0.01 -0.55 8.47 8.24 2c7fB1 MET 379 HA -0.06 0.24 0.42 -0.75 4.52 4.36 2c7fB1 MET 379 HB2 -0.25 0.02 0.07 -0.04 2.15 1.94 2c7fB1 MET 379 HB3 -0.06 -0.05 0.08 -0.04 2.03 1.95 2c7fB1 MET 379 HG2 -0.02 0.04 0.00 -0.04 2.63 2.61 2c7fB1 MET 379 HG3 0.00 0.11 -0.11 -0.04 2.56 2.52 2c7fB1 MET 379 HE3 0.14 -0.01 -0.16 -0.04 2.10 2.03 2c7fB1 HIS 380 H -0.10 0.54 -0.20 -0.55 8.41 8.11 2c7fB1 HIS 380 HA 0.10 0.02 0.41 -0.75 4.63 4.40 2c7fB1 HIS 380 HB2 0.39 0.08 0.07 -0.04 3.26 3.76 2c7fB1 HIS 380 HB3 0.26 -0.05 -0.08 -0.04 3.20 3.29 2c7fB1 HIS 380 HD2 0.35 0.03 -0.07 -0.04 6.97 7.23 2c7fB1 HIS 380 HE1 0.20 -0.08 -0.13 -0.04 7.75 7.70 2c7fB1 ALA 381 H 0.04 0.45 -0.21 -0.55 8.40 8.14 2c7fB1 ALA 381 HA 0.48 -0.04 0.34 -0.75 4.34 4.36 2c7fB1 ALA 381 HB3 0.12 0.02 0.08 -0.04 1.41 1.58 2c7fB1 SER 382 H -0.38 0.68 -0.06 -0.55 8.46 8.16 2c7fB1 SER 382 HA -1.72 -0.01 0.41 -0.75 4.49 2.41 2c7fB1 SER 382 HB2 -0.41 -0.11 0.16 -0.04 3.95 3.55 2c7fB1 SER 382 HB3 -0.19 0.10 0.19 -0.04 3.93 3.98 2c7fB1 LYS 383 H -0.22 0.38 -0.25 -0.55 8.42 7.77 2c7fB1 LYS 383 HA -0.21 0.10 0.52 -0.75 4.32 3.98 2c7fB1 LYS 383 HB2 -0.26 0.16 0.10 -0.04 1.87 1.83 2c7fB1 LYS 383 HB3 -0.73 -0.07 0.12 -0.04 1.79 1.07 2c7fB1 LYS 383 HG2 -0.56 -0.06 -0.15 -0.04 1.46 0.66 2c7fB1 LYS 383 HG3 -0.22 0.01 0.02 -0.04 1.46 1.23 2c7fB1 LYS 383 HD2 -0.16 0.05 -0.03 -0.04 1.69 1.51 2c7fB1 LYS 383 HD3 -0.57 -0.06 -0.06 -0.04 1.68 0.94 2c7fB1 LYS 383 HE2 -0.04 -0.04 -0.05 -0.04 2.99 2.82 2c7fB1 LYS 383 HE3 -0.07 0.02 -0.03 -0.04 2.99 2.87 2c7fB1 TYR 384 H -0.00 0.64 0.02 -0.55 8.29 8.39 2c7fB1 TYR 384 HA 0.07 0.14 0.69 -0.75 4.56 4.70 2c7fB1 TYR 384 HB2 0.39 0.07 -0.02 -0.04 3.06 3.45 2c7fB1 TYR 384 HB3 0.17 -0.09 0.06 -0.04 2.98 3.08 2c7fB1 TYR 384 HD2 0.08 0.04 -0.05 -0.04 7.15 7.18 2c7fB1 TYR 384 HE2 0.10 -0.04 -0.07 -0.04 6.85 6.80 2c7fB1 GLY 385 H 0.06 0.38 -0.40 -0.55 8.43 7.93 2c7fB1 GLY 385 HA2 0.01 0.02 0.56 -0.51 4.01 4.10 2c7fB1 GLY 385 HA3 0.21 0.12 0.33 -0.51 4.01 4.16 2c7fB1 ARG 386 H 0.06 0.23 -0.58 -0.55 8.46 7.62 2c7fB1 ARG 386 HA 0.10 0.14 0.84 -0.75 4.34 4.66 2c7fB1 ARG 386 HB2 0.02 -0.03 0.05 -0.04 1.90 1.91 2c7fB1 ARG 386 HB3 0.03 -0.06 0.00 -0.04 1.80 1.74 2c7fB1 ARG 386 HG2 -0.01 0.05 -0.29 -0.04 1.67 1.38 2c7fB1 ARG 386 HG3 0.00 0.01 -0.01 -0.04 1.67 1.63 2c7fB1 ARG 386 HD2 0.07 -0.11 0.00 -0.04 3.22 3.14 2c7fB1 ARG 386 HD3 0.18 -0.01 -0.08 -0.04 3.22 3.28 2c7fB1 GLY 387 H 0.03 0.28 0.10 -0.55 8.43 8.28 2c7fB1 GLY 387 HA2 -0.03 -0.03 0.33 -0.51 4.01 3.76 2c7fB1 GLY 387 HA3 -0.04 0.13 0.61 -0.51 4.01 4.20 2c7fB1 ILE 388 H -0.02 0.51 0.16 -0.55 8.25 8.35 2c7fB1 ILE 388 HA 0.01 0.20 1.18 -0.75 4.18 4.82 2c7fB1 ILE 388 HB 0.08 0.01 0.21 -0.04 1.89 2.15 2c7fB1 ILE 388 HG12 0.01 0.01 -0.07 -0.04 1.49 1.41 2c7fB1 ILE 388 HG13 -0.02 -0.11 -0.20 -0.04 1.21 0.84 2c7fB1 ILE 388 HG23 0.06 0.02 -0.19 -0.04 0.93 0.78 2c7fB1 ILE 388 HD13 0.02 -0.00 -0.00 -0.04 0.88 0.86 2c7fB1 VAL 389 H 0.00 0.64 0.37 -0.55 8.24 8.70 2c7fB1 VAL 389 HA -0.03 0.09 0.71 -0.75 4.13 4.14 2c7fB1 VAL 389 HB -0.02 -0.22 0.19 -0.04 2.12 2.03 2c7fB1 VAL 389 HG13 -0.06 0.07 -0.06 -0.04 0.97 0.88 2c7fB1 VAL 389 HG23 -0.03 0.07 0.03 -0.04 0.95 0.97 2c7fB1 LEU 390 H -0.03 0.62 0.45 -0.55 8.37 8.86 2c7fB1 LEU 390 HA 0.03 0.25 1.02 -0.75 4.35 4.89 2c7fB1 LEU 390 HB2 -0.02 0.10 0.15 -0.04 1.64 1.83 2c7fB1 LEU 390 HB3 -0.02 -0.00 0.06 -0.04 1.64 1.64 2c7fB1 LEU 390 HG 0.04 0.19 -0.03 -0.04 1.64 1.80 2c7fB1 LEU 390 HD13 0.09 0.02 -0.22 -0.04 0.93 0.78 2c7fB1 LEU 390 HD23 -0.04 -0.09 -0.25 -0.04 0.89 0.48 2c7fB1 GLN 391 H -0.02 0.60 0.23 -0.55 8.47 8.73 2c7fB1 GLN 391 HA -0.12 0.10 0.46 -0.75 4.36 4.05 2c7fB1 GLN 391 HB2 -0.38 0.05 0.12 -0.04 2.15 1.91 2c7fB1 GLN 391 HB3 -0.54 -0.10 -0.00 -0.04 2.02 1.34 2c7fB1 GLN 391 HG2 -0.06 0.06 -0.03 -0.04 2.40 2.32 2c7fB1 GLN 391 HG3 -0.18 -0.03 -0.02 -0.04 2.39 2.12 2c7fB1 GLN 391 HE21 -0.08 -0.03 0.02 -0.04 6.97 6.84 2c7fB1 GLN 391 HE22 -0.06 0.02 0.03 -0.04 7.69 7.64 2c7fB1 PRO 392 HA -0.09 0.08 0.57 -0.51 4.44 4.49 2c7fB1 PRO 392 HB2 -0.06 -0.04 0.23 -0.04 2.28 2.37 2c7fB1 PRO 392 HB3 -0.07 0.10 0.25 -0.04 2.02 2.26 2c7fB1 PRO 392 HG2 -0.08 -0.04 0.19 -0.04 2.03 2.06 2c7fB1 PRO 392 HG3 -0.09 0.04 0.20 -0.04 2.03 2.15 2c7fB1 PRO 392 HD2 -0.11 0.03 0.19 -0.04 3.68 3.75 2c7fB1 PRO 392 HD3 -0.10 0.25 0.32 -0.04 3.65 4.08 2c7fB1 VAL 393 H -0.15 0.53 0.18 -0.55 8.24 8.24 2c7fB1 VAL 393 HA -0.11 0.06 0.66 -0.75 4.13 3.99 2c7fB1 VAL 393 HB -0.08 -0.09 0.13 -0.04 2.12 2.04 2c7fB1 VAL 393 HG13 -0.08 -0.01 -0.00 -0.04 0.97 0.84 2c7fB1 VAL 393 HG23 -0.28 0.06 0.09 -0.04 0.95 0.78 2c7fB1 ILE 394 H -0.05 0.23 0.21 -0.55 8.25 8.10 2c7fB1 ILE 394 HA -0.03 0.16 0.84 -0.75 4.18 4.39 2c7fB1 ILE 394 HB -0.04 0.07 -0.45 -0.04 1.89 1.42 2c7fB1 ILE 394 HG12 -0.01 -0.09 -0.17 -0.04 1.49 1.18 2c7fB1 ILE 394 HG13 -0.02 0.01 -0.10 -0.04 1.21 1.06 2c7fB1 ILE 394 HG23 -0.03 -0.00 0.09 -0.04 0.93 0.94 2c7fB1 ILE 394 HD13 -0.02 0.01 -0.06 -0.04 0.88 0.78 2c7fB1 ASN 395 H -0.01 0.79 0.26 -0.55 8.53 9.02 2c7fB1 ASN 395 HA -0.01 0.09 0.46 -0.75 4.76 4.55 2c7fB1 ASN 395 HB2 -0.01 -0.00 0.02 -0.04 2.88 2.85 2c7fB1 ASN 395 HB3 -0.00 -0.07 0.21 -0.04 2.79 2.89 2c7fB1 ASN 395 HD21 0.00 -0.03 -0.09 -0.04 7.03 6.88 2c7fB1 ASN 395 HD22 0.00 -0.01 -0.30 -0.04 7.74 7.39 2c7fB1 SER 396 H 0.00 0.20 0.09 -0.55 8.46 8.21 2c7fB1 SER 396 HA 0.01 0.19 0.91 -0.75 4.49 4.85 2c7fB1 SER 396 HB2 0.01 0.03 0.01 -0.04 3.95 3.96 2c7fB1 SER 396 HB3 0.01 0.03 0.12 -0.04 3.93 4.05 2c7fB1 PRO 397 HA 0.03 0.04 0.59 -0.51 4.44 4.59 2c7fB1 PRO 397 HB2 0.06 -0.05 -0.02 -0.04 2.28 2.24 2c7fB1 PRO 397 HB3 0.04 0.03 0.11 -0.04 2.02 2.16 2c7fB1 PRO 397 HG2 0.03 0.03 0.01 -0.04 2.03 2.06 2c7fB1 PRO 397 HG3 0.02 0.16 0.10 -0.04 2.03 2.28 2c7fB1 PRO 397 HD2 0.03 -0.03 0.16 -0.04 3.68 3.79 2c7fB1 PRO 397 HD3 0.02 0.31 0.20 -0.04 3.65 4.14 2c7fB1 LEU 398 H 0.04 0.12 0.19 -0.55 8.37 8.18 2c7fB1 HIS 399 H -0.20 0.73 0.19 -0.55 8.41 8.59 2c7fB1 HIS 399 HA 0.03 0.10 0.64 -0.75 4.63 4.64 2c7fB1 HIS 399 HB2 0.05 0.01 0.04 -0.04 3.26 3.32 2c7fB1 HIS 399 HB3 0.04 0.05 -0.17 -0.04 3.20 3.07 2c7fB1 HIS 399 HD2 0.03 0.01 -0.51 -0.04 6.97 6.46 2c7fB1 HIS 399 HE1 -0.01 0.25 -0.25 -0.04 7.75 7.70 2c7fB1 ASP 400 H 0.11 0.19 0.15 -0.55 8.40 8.30 2c7fB1 ASP 400 HA 0.01 0.05 0.90 -0.75 4.63 4.83 2c7fB1 ASP 400 HB2 0.06 -0.01 0.13 -0.04 2.71 2.85 2c7fB1 ASP 400 HB3 0.05 0.21 0.12 -0.04 2.70 3.04 2c7fB1 THR 401 H 0.08 0.41 0.17 -0.55 8.28 8.40 2c7fB1 THR 401 HA 0.13 0.22 0.78 -0.75 4.39 4.76 2c7fB1 THR 401 HB 0.12 -0.23 0.04 -0.04 4.32 4.21 2c7fB1 THR 401 HG23 0.17 0.10 -0.36 -0.04 1.22 1.09 2c7fB1 SER 402 H 0.08 0.04 0.12 -0.55 8.46 8.16 2c7fB1 SER 402 HA 0.04 0.16 0.35 -0.75 4.49 4.29 2c7fB1 SER 402 HB2 0.03 0.08 0.06 -0.04 3.95 4.08 2c7fB1 SER 402 HB3 0.05 0.01 0.12 -0.04 3.93 4.07 2c7fB1 LYS 403 H 0.08 -0.09 -0.18 -0.55 8.42 7.67 2c7fB1 LYS 403 HA -0.06 0.29 0.87 -0.75 4.32 4.67 2c7fB1 LYS 403 HB2 -0.05 -0.09 -0.01 -0.04 1.87 1.69 2c7fB1 LYS 403 HB3 -0.20 0.04 0.12 -0.04 1.79 1.71 2c7fB1 LYS 403 HG2 -0.04 0.11 -0.04 -0.04 1.46 1.45 2c7fB1 LYS 403 HG3 -0.00 -0.09 -0.38 -0.04 1.46 0.94 2c7fB1 LYS 403 HD2 0.01 -0.08 -0.05 -0.04 1.69 1.53 2c7fB1 LYS 403 HD3 -0.03 0.03 -0.01 -0.04 1.68 1.62 2c7fB1 LYS 403 HE2 -0.01 0.06 -0.03 -0.04 2.99 2.97 2c7fB1 LYS 403 HE3 0.01 -0.03 -0.06 -0.04 2.99 2.87 2c7fB1 HIS 404 H 0.09 0.06 -0.15 -0.55 8.41 7.86 2c7fB1 HIS 404 HA -0.01 0.24 0.82 -0.75 4.63 4.94 2c7fB1 HIS 404 HB2 -0.02 -0.13 -0.01 -0.04 3.26 3.06 2c7fB1 HIS 404 HB3 -0.04 0.14 0.02 -0.04 3.20 3.28 2c7fB1 HIS 404 HD2 -0.01 0.05 -0.01 -0.04 6.97 6.95 2c7fB1 HIS 404 HE1 -0.02 -0.01 -0.10 -0.04 7.75 7.57 2c7fB1 GLU 405 H 0.07 0.26 0.14 -0.55 8.60 8.53 2c7fB1 GLU 405 HA 0.02 0.11 0.96 -0.75 4.29 4.62 2c7fB1 GLU 405 HB2 0.02 0.04 0.02 -0.04 2.09 2.12 2c7fB1 GLU 405 HB3 0.01 0.01 0.03 -0.04 1.99 2.00 2c7fB1 GLU 405 HG2 0.01 0.05 -0.11 -0.04 2.34 2.25 2c7fB1 GLU 405 HG3 0.01 -0.06 -0.30 -0.04 2.34 1.95 2c7fB1 ASP 406 H -0.01 0.10 0.01 -0.55 8.40 7.95 2c7fB1 ASP 406 HA -0.04 -0.01 0.20 -0.75 4.63 4.03 2c7fB1 ASP 406 HB2 -0.01 0.10 -0.10 -0.04 2.71 2.66 2c7fB1 ASP 406 HB3 -0.01 0.04 0.11 -0.04 2.70 2.80 2c7fB1 VAL 407 H -0.21 0.44 -0.08 -0.55 8.24 7.84 2c7fB1 VAL 407 HA -0.13 0.09 0.65 -0.75 4.13 3.98 2c7fB1 VAL 407 HB -0.84 0.03 0.01 -0.04 2.12 1.28 2c7fB1 VAL 407 HG13 -0.15 0.05 -0.07 -0.04 0.97 0.76 2c7fB1 VAL 407 HG23 -0.12 -0.04 -0.16 -0.04 0.95 0.59 2c7fB1 THR 408 H -0.07 0.11 0.17 -0.55 8.28 7.94 2c7fB1 THR 408 HA -0.01 0.11 0.42 -0.75 4.39 4.15 2c7fB1 THR 408 HB 0.01 0.10 0.05 -0.04 4.32 4.43 2c7fB1 THR 408 HG23 -0.02 0.01 0.08 -0.04 1.22 1.25 2c7fB1 ASP 409 H 0.08 0.65 0.26 -0.55 8.40 8.85 2c7fB1 ASP 409 HA 0.22 0.19 0.62 -0.75 4.63 4.91 2c7fB1 ASP 409 HB2 0.07 -0.03 0.12 -0.04 2.71 2.83 2c7fB1 ASP 409 HB3 0.07 -0.10 0.00 -0.04 2.70 2.63 2c7fB1 ILE 410 H 0.04 0.04 -0.01 -0.55 8.25 7.76 2c7fB1 ILE 410 HA 0.03 0.38 0.94 -0.75 4.18 4.78 2c7fB1 ILE 410 HB 0.02 -0.08 -0.00 -0.04 1.89 1.79 2c7fB1 ILE 410 HG12 0.01 -0.02 -0.18 -0.04 1.49 1.26 2c7fB1 ILE 410 HG13 0.01 0.04 -0.11 -0.04 1.21 1.11 2c7fB1 ILE 410 HG23 0.00 -0.02 -0.29 -0.04 0.93 0.58 2c7fB1 ILE 410 HD13 0.02 0.01 -0.25 -0.04 0.88 0.63 2c7fB1 GLU 411 H 0.03 0.60 0.26 -0.55 8.60 8.94 2c7fB1 GLU 411 HA 0.00 0.14 0.75 -0.75 4.29 4.43 2c7fB1 GLU 411 HB2 0.01 0.05 -0.06 -0.04 2.09 2.05 2c7fB1 GLU 411 HB3 0.03 -0.09 0.13 -0.04 1.99 2.03 2c7fB1 GLU 411 HG2 0.01 -0.06 -0.03 -0.04 2.34 2.21 2c7fB1 GLU 411 HG3 0.01 0.06 -0.11 -0.04 2.34 2.26 2c7fB1 SER 412 H -0.01 0.27 0.10 -0.55 8.46 8.28 2c7fB1 SER 412 HA 0.00 0.38 1.10 -0.75 4.49 5.22 2c7fB1 SER 412 HB2 -0.01 -0.09 -0.31 -0.04 3.95 3.49 2c7fB1 SER 412 HB3 -0.02 -0.03 -0.13 -0.04 3.93 3.71 2c7fB1 VAL 413 H -0.01 0.61 0.35 -0.55 8.24 8.64 2c7fB1 VAL 413 HA -0.06 0.13 0.55 -0.75 4.13 3.99 2c7fB1 VAL 413 HB -0.11 0.01 -0.14 -0.04 2.12 1.84 2c7fB1 VAL 413 HG13 -0.07 0.05 0.08 -0.04 0.97 0.99 2c7fB1 VAL 413 HG23 0.01 -0.01 -0.08 -0.04 0.95 0.83 2c7fB1 ALA 414 H -0.08 0.26 0.13 -0.55 8.40 8.17 2c7fB1 ALA 414 HA -0.14 0.36 1.07 -0.75 4.34 4.87 2c7fB1 ALA 414 HB3 -0.06 -0.02 -0.06 -0.04 1.41 1.24 2c7fB1 ILE 415 H -0.19 0.63 0.30 -0.55 8.25 8.43 2c7fB1 ILE 415 HA -0.03 0.26 1.03 -0.75 4.18 4.69 2c7fB1 ILE 415 HB -0.05 -0.04 -0.34 -0.04 1.89 1.42 2c7fB1 ILE 415 HG12 -0.26 0.04 -0.05 -0.04 1.49 1.17 2c7fB1 ILE 415 HG13 -0.12 -0.10 0.07 -0.04 1.21 1.02 2c7fB1 ILE 415 HG23 -0.18 0.01 -0.22 -0.04 0.93 0.49 2c7fB1 ILE 415 HD13 -0.01 0.04 -0.54 -0.04 0.88 0.33 2c7fB1 TYR 416 H 0.10 0.79 0.28 -0.55 8.29 8.91 2c7fB1 TYR 416 HA -0.03 0.19 0.94 -0.75 4.56 4.90 2c7fB1 TYR 416 HB2 -0.02 -0.06 -0.04 -0.04 3.06 2.90 2c7fB1 TYR 416 HB3 -0.01 0.05 0.17 -0.04 2.98 3.15 2c7fB1 TYR 416 HD2 -0.01 0.09 -0.07 -0.04 7.15 7.13 2c7fB1 TYR 416 HE2 0.00 0.01 -0.12 -0.04 6.85 6.71 2c7fB1 ASN 417 H -0.04 0.66 0.35 -0.55 8.53 8.96 2c7fB1 ASN 417 HA -0.20 0.05 1.04 -0.75 4.76 4.90 2c7fB1 ASN 417 HB2 -0.04 0.26 0.15 -0.04 2.88 3.21 2c7fB1 ASN 417 HB3 -0.05 -0.05 0.22 -0.04 2.79 2.86 2c7fB1 ASN 417 HD21 -0.01 -0.07 -0.03 -0.04 7.03 6.88 2c7fB1 ASN 417 HD22 0.00 0.25 0.09 -0.04 7.74 8.04 2c7fB1 GLU 418 H -0.29 0.23 0.21 -0.55 8.60 8.20 2c7fB1 GLU 418 HA -0.69 0.11 0.12 -0.75 4.29 3.07 2c7fB1 GLU 418 HB2 -0.60 0.08 0.02 -0.04 2.09 1.55 2c7fB1 GLU 418 HB3 -0.21 0.04 0.05 -0.04 1.99 1.83 2c7fB1 GLU 418 HG2 -0.06 0.01 0.11 -0.04 2.34 2.36 2c7fB1 GLU 418 HG3 -0.05 -0.01 0.04 -0.04 2.34 2.28 2c7fB1 GLU 419 H -0.13 0.14 -0.14 -0.55 8.60 7.92 2c7fB1 GLU 419 HA -0.04 0.20 0.73 -0.75 4.29 4.43 2c7fB1 GLU 419 HB2 -0.06 -0.05 -0.02 -0.04 2.09 1.92 2c7fB1 GLU 419 HB3 -0.04 0.06 0.03 -0.04 1.99 2.00 2c7fB1 GLU 419 HG2 -0.02 0.02 0.16 -0.04 2.34 2.46 2c7fB1 GLU 419 HG3 -0.02 0.01 0.05 -0.04 2.34 2.33 2c7fB1 LYS 420 H -0.07 -0.15 -0.07 -0.55 8.42 7.58 2c7fB1 LYS 420 HA -0.01 0.17 0.65 -0.75 4.32 4.37 2c7fB1 LYS 420 HB2 -0.03 -0.09 -0.12 -0.04 1.87 1.58 2c7fB1 LYS 420 HB3 0.00 0.06 -0.01 -0.04 1.79 1.80 2c7fB1 LYS 420 HG2 0.00 0.04 0.02 -0.04 1.46 1.47 2c7fB1 LYS 420 HG3 -0.01 -0.00 -0.35 -0.04 1.46 1.05 2c7fB1 LYS 420 HD2 0.00 -0.00 -0.06 -0.04 1.69 1.59 2c7fB1 LYS 420 HD3 0.02 0.02 -0.03 -0.04 1.68 1.65 2c7fB1 LYS 420 HE2 0.01 -0.02 -0.02 -0.04 2.99 2.93 2c7fB1 LYS 420 HE3 0.00 -0.02 -0.04 -0.04 2.99 2.89 2c7fB1 GLU 421 H -0.04 -0.24 -0.03 -0.55 8.60 7.75 2c7fB1 GLU 421 HA 0.07 0.02 0.34 -0.75 4.29 3.96 2c7fB1 GLU 421 HB2 0.04 0.07 -0.02 -0.04 2.09 2.14 2c7fB1 GLU 421 HB3 0.07 0.04 0.19 -0.04 1.99 2.26 2c7fB1 GLU 421 HG2 0.11 -0.02 0.02 -0.04 2.34 2.41 2c7fB1 GLU 421 HG3 0.04 -0.03 -0.03 -0.04 2.34 2.28 2c7fB1 GLU 422 H -0.00 0.46 0.11 -0.55 8.60 8.62 2c7fB1 GLU 422 HA 0.03 0.34 1.06 -0.75 4.29 4.97 2c7fB1 GLU 422 HB2 0.02 -0.10 0.04 -0.04 2.09 2.01 2c7fB1 GLU 422 HB3 0.01 0.01 0.01 -0.04 1.99 1.99 2c7fB1 GLU 422 HG2 0.01 0.04 -0.02 -0.04 2.34 2.33 2c7fB1 GLU 422 HG3 0.02 0.20 -0.33 -0.04 2.34 2.18 2c7fB1 VAL 423 H 0.01 0.55 0.33 -0.55 8.24 8.58 2c7fB1 VAL 423 HA 0.09 0.24 0.98 -0.75 4.13 4.68 2c7fB1 VAL 423 HB -0.04 -0.05 0.08 -0.04 2.12 2.06 2c7fB1 VAL 423 HG13 -0.03 -0.01 -0.23 -0.04 0.97 0.66 2c7fB1 VAL 423 HG23 0.09 -0.02 -0.17 -0.04 0.95 0.81 2c7fB1 THR 424 H -0.04 0.61 0.29 -0.55 8.28 8.60 2c7fB1 THR 424 HA -0.06 0.30 1.16 -0.75 4.39 5.04 2c7fB1 THR 424 HB -0.09 0.04 0.11 -0.04 4.32 4.34 2c7fB1 THR 424 HG23 0.22 -0.02 -0.18 -0.04 1.22 1.19 2c7fB1 ILE 425 H -0.05 0.78 0.34 -0.55 8.25 8.77 2c7fB1 ILE 425 HA -0.10 0.25 1.06 -0.75 4.18 4.63 2c7fB1 ILE 425 HB -0.04 -0.03 0.12 -0.04 1.89 1.90 2c7fB1 ILE 425 HG12 -0.06 -0.00 -0.17 -0.04 1.49 1.21 2c7fB1 ILE 425 HG13 -0.07 -0.05 -0.29 -0.04 1.21 0.75 2c7fB1 ILE 425 HG23 -0.04 -0.01 -0.32 -0.04 0.93 0.52 2c7fB1 ILE 425 HD13 -0.05 -0.01 -0.16 -0.04 0.88 0.62 2c7fB1 PHE 426 H -0.05 0.69 0.36 -0.55 8.34 8.79 2c7fB1 PHE 426 HA -0.47 0.34 1.04 -0.75 4.62 4.78 2c7fB1 PHE 426 HB2 -0.08 -0.03 0.19 -0.04 3.15 3.19 2c7fB1 PHE 426 HB3 -0.32 -0.03 0.02 -0.04 3.06 2.69 2c7fB1 PHE 426 HD2 0.01 -0.03 -0.41 -0.04 7.28 6.81 2c7fB1 PHE 426 HE2 0.11 0.00 -0.15 -0.04 7.38 7.31 2c7fB1 PHE 426 HZ 0.19 0.05 -0.31 -0.04 7.32 7.21 2c7fB1 ALA 427 H -0.39 0.58 0.35 -0.55 8.40 8.40 2c7fB1 ALA 427 HA -0.04 0.32 1.03 -0.75 4.34 4.90 2c7fB1 ALA 427 HB3 -0.05 -0.01 -0.14 -0.04 1.41 1.17 2c7fB1 VAL 428 H 0.02 0.62 0.36 -0.55 8.24 8.69 2c7fB1 VAL 428 HA 0.06 0.37 1.01 -0.75 4.13 4.82 2c7fB1 VAL 428 HB 0.10 0.04 0.09 -0.04 2.12 2.31 2c7fB1 VAL 428 HG13 0.09 -0.01 -0.07 -0.04 0.97 0.94 2c7fB1 VAL 428 HG23 0.32 -0.00 -0.15 -0.04 0.95 1.07 2c7fB1 ASN 429 H 0.07 0.16 0.06 -0.55 8.53 8.27 2c7fB1 ASN 429 HA 0.05 0.74 0.44 -0.75 4.76 5.23 2c7fB1 ASN 429 HB2 0.04 0.15 -0.22 -0.04 2.88 2.81 2c7fB1 ASN 429 HB3 0.05 -0.01 -0.07 -0.04 2.79 2.72 2c7fB1 ASN 429 HD21 0.04 0.24 0.02 -0.04 7.03 7.28 2c7fB1 ASN 429 HD22 0.05 0.16 -0.34 -0.04 7.74 7.56 2c7fB1 ARG 430 H 0.04 0.08 0.11 -0.55 8.46 8.14 2c7fB1 ARG 430 HA -0.01 -0.02 0.18 -0.75 4.34 3.73 2c7fB1 ARG 430 HB2 0.07 0.02 0.00 -0.04 1.90 1.95 2c7fB1 ARG 430 HB3 0.02 -0.07 0.08 -0.04 1.80 1.79 2c7fB1 ARG 430 HG2 0.04 -0.08 -0.06 -0.04 1.67 1.53 2c7fB1 ARG 430 HG3 0.07 0.35 0.16 -0.04 1.67 2.21 2c7fB1 ARG 430 HD2 0.08 0.52 -0.00 -0.04 3.22 3.79 2c7fB1 ARG 430 HD3 0.18 -0.13 -0.06 -0.04 3.22 3.17 2c7fB1 ASN 431 H 0.01 0.11 -0.36 -0.55 8.53 7.75 2c7fB1 ASN 431 HA -0.24 0.13 -0.59 -0.75 4.76 3.30 2c7fB1 ASN 431 HB2 -0.03 0.13 0.15 -0.04 2.88 3.10 2c7fB1 ASN 431 HB3 0.00 0.13 0.09 -0.04 2.79 2.97 2c7fB1 ASN 431 HD21 0.01 -0.01 -0.06 -0.04 7.03 6.93 2c7fB1 ASN 431 HD22 -0.15 0.08 -0.07 -0.04 7.74 7.55 2c7fB1 ILE 432 H 0.01 0.03 0.03 -0.55 8.25 7.77 2c7fB1 ILE 432 HA 0.01 0.15 -0.00 -0.75 4.18 3.59 2c7fB1 ILE 432 HB -0.05 -0.04 -0.10 -0.04 1.89 1.66 2c7fB1 ILE 432 HG12 -0.14 0.10 0.15 -0.04 1.49 1.56 2c7fB1 ILE 432 HG13 -0.06 -0.09 -0.01 -0.04 1.21 1.01 2c7fB1 ILE 432 HG23 -0.25 -0.04 -0.57 -0.04 0.93 0.03 2c7fB1 ILE 432 HD13 -0.47 -0.01 0.03 -0.04 0.88 0.38 2c7fB1 HIS 433 H 0.09 0.06 -0.19 -0.55 8.41 7.83 2c7fB1 HIS 433 HA 0.01 0.05 0.60 -0.75 4.63 4.54 2c7fB1 HIS 433 HB2 -0.04 0.35 -0.40 -0.04 3.26 3.13 2c7fB1 HIS 433 HB3 -0.02 -0.02 -0.14 -0.04 3.20 2.99 2c7fB1 HIS 433 HD2 -0.04 -0.01 -0.04 -0.04 6.97 6.85 2c7fB1 HIS 433 HE1 0.02 -0.08 0.07 -0.04 7.75 7.72 2c7fB1 GLU 434 H 0.10 0.19 -0.17 -0.55 8.60 8.17 2c7fB1 GLU 434 HA 0.04 0.18 0.95 -0.75 4.29 4.71 2c7fB1 GLU 434 HB2 0.04 -0.04 -0.01 -0.04 2.09 2.04 2c7fB1 GLU 434 HB3 0.03 0.21 -0.05 -0.04 1.99 2.14 2c7fB1 GLU 434 HG2 0.02 0.04 -0.04 -0.04 2.34 2.32 2c7fB1 GLU 434 HG3 0.04 -0.09 -0.20 -0.04 2.34 2.05 2c7fB1 ASP 435 H 0.03 0.16 0.16 -0.55 8.40 8.19 2c7fB1 ASP 435 HA 0.03 0.18 0.79 -0.75 4.63 4.88 2c7fB1 ASP 435 HB2 0.02 0.01 0.03 -0.04 2.71 2.73 2c7fB1 ASP 435 HB3 0.02 0.03 -0.04 -0.04 2.70 2.67 2c7fB1 ILE 436 H 0.02 0.60 0.20 -0.55 8.25 8.53 2c7fB1 ILE 436 HA 0.01 0.17 0.79 -0.75 4.18 4.39 2c7fB1 ILE 436 HB 0.02 0.06 -0.11 -0.04 1.89 1.82 2c7fB1 ILE 436 HG12 0.03 -0.03 -0.10 -0.04 1.49 1.35 2c7fB1 ILE 436 HG13 0.02 0.01 -0.18 -0.04 1.21 1.02 2c7fB1 ILE 436 HG23 0.02 0.01 -0.22 -0.04 0.93 0.69 2c7fB1 ILE 436 HD13 0.03 0.01 -0.21 -0.04 0.88 0.67 2c7fB1 VAL 437 H 0.00 0.22 0.12 -0.55 8.24 8.04 2c7fB1 VAL 437 HA -0.01 0.16 0.86 -0.75 4.13 4.39 2c7fB1 VAL 437 HB -0.01 -0.05 -0.02 -0.04 2.12 2.00 2c7fB1 VAL 437 HG13 -0.00 0.01 0.08 -0.04 0.97 1.01 2c7fB1 VAL 437 HG23 -0.01 -0.03 -0.37 -0.04 0.95 0.50 2c7fB1 LEU 438 H -0.01 1.18 0.19 -0.55 8.37 9.19 2c7fB1 LEU 438 HA -0.00 0.33 0.93 -0.75 4.35 4.85 2c7fB1 LEU 438 HB2 0.00 -0.04 -0.08 -0.04 1.64 1.49 2c7fB1 LEU 438 HB3 -0.01 0.05 0.14 -0.04 1.64 1.78 2c7fB1 LEU 438 HG -0.00 -0.01 -0.46 -0.04 1.64 1.13 2c7fB1 LEU 438 HD13 -0.00 0.03 -0.31 -0.04 0.93 0.60 2c7fB1 LEU 438 HD23 -0.01 -0.02 -0.19 -0.04 0.89 0.63 2c7fB1 VAL 439 H -0.00 0.65 0.26 -0.55 8.24 8.60 2c7fB1 VAL 439 HA 0.01 0.18 0.95 -0.75 4.13 4.52 2c7fB1 VAL 439 HB 0.00 -0.07 -0.01 -0.04 2.12 2.01 2c7fB1 VAL 439 HG13 -0.00 -0.00 0.04 -0.04 0.97 0.97 2c7fB1 VAL 439 HG23 0.00 -0.01 -0.15 -0.04 0.95 0.75 2c7fB1 SER 440 H 0.02 0.88 0.35 -0.55 8.46 9.16 2c7fB1 SER 440 HA 0.00 0.34 0.87 -0.75 4.49 4.95 2c7fB1 SER 440 HB2 0.02 -0.04 0.15 -0.04 3.95 4.04 2c7fB1 SER 440 HB3 0.00 -0.05 -0.11 -0.04 3.93 3.73 2c7fB1 ASP 441 H 0.01 0.84 0.41 -0.55 8.40 9.10 2c7fB1 ASP 441 HA 0.03 0.13 0.75 -0.75 4.63 4.78 2c7fB1 ASP 441 HB2 0.01 -0.00 0.07 -0.04 2.71 2.74 2c7fB1 ASP 441 HB3 0.01 -0.08 0.24 -0.04 2.70 2.83 2c7fB1 VAL 442 H 0.09 0.29 0.15 -0.55 8.24 8.22 2c7fB1 VAL 442 HA 0.01 0.07 0.74 -0.75 4.13 4.20 2c7fB1 VAL 442 HB 0.09 0.03 0.01 -0.04 2.12 2.21 2c7fB1 VAL 442 HG13 0.26 0.01 -0.12 -0.04 0.97 1.07 2c7fB1 VAL 442 HG23 -0.01 -0.04 -0.04 -0.04 0.95 0.82 2c7fB1 ARG 443 H -0.00 0.84 0.41 -0.55 8.46 9.15 2c7fB1 ARG 443 HA 0.00 0.18 0.58 -0.75 4.34 4.35 2c7fB1 ARG 443 HB2 0.01 0.08 0.04 -0.04 1.90 1.99 2c7fB1 ARG 443 HB3 0.00 -0.10 0.10 -0.04 1.80 1.76 2c7fB1 ARG 443 HG2 0.01 -0.04 0.04 -0.04 1.67 1.64 2c7fB1 ARG 443 HG3 0.00 0.03 0.06 -0.04 1.67 1.72 2c7fB1 ARG 443 HD2 0.01 0.03 -0.10 -0.04 3.22 3.12 2c7fB1 ARG 443 HD3 0.02 -0.02 -0.05 -0.04 3.22 3.13 2c7fB1 GLY 444 H -0.01 0.01 -0.33 -0.55 8.43 7.56 2c7fB1 GLY 444 HA2 -0.05 0.08 0.65 -0.51 4.01 4.19 2c7fB1 GLY 444 HA3 -0.08 -0.08 0.30 -0.51 4.01 3.64 2c7fB1 MET 445 H 0.03 0.27 -0.05 -0.55 8.47 8.17 2c7fB1 MET 445 HA -0.04 0.12 -0.16 -0.75 4.52 3.69 2c7fB1 MET 445 HB2 -0.02 -0.25 0.07 -0.04 2.15 1.91 2c7fB1 MET 445 HB3 0.03 0.14 0.01 -0.04 2.03 2.16 2c7fB1 MET 445 HG2 -0.19 -0.07 -0.04 -0.04 2.63 2.29 2c7fB1 MET 445 HG3 -0.10 0.07 -0.08 -0.04 2.56 2.41 2c7fB1 MET 445 HE3 0.08 0.03 -0.16 -0.04 2.10 2.01 2c7fB1 ARG 449 HA 0.24 -0.02 0.27 -0.75 4.34 4.08 2c7fB1 ARG 449 HB2 0.11 0.08 0.07 -0.04 1.90 2.12 2c7fB1 ARG 449 HB3 0.04 -0.36 0.15 -0.04 1.80 1.60 2c7fB1 ARG 449 HG2 0.03 0.00 -0.24 -0.04 1.67 1.42 2c7fB1 ARG 449 HG3 0.06 0.02 -0.02 -0.04 1.67 1.70 2c7fB1 ARG 449 HD2 0.04 0.01 0.00 -0.04 3.22 3.24 2c7fB1 ARG 449 HD3 0.03 0.02 0.01 -0.04 3.22 3.24 2c7fB1 LEU 450 H 0.13 0.11 0.14 -0.55 8.37 8.19 2c7fB1 LEU 450 HA -0.21 0.12 0.56 -0.75 4.35 4.07 2c7fB1 LEU 450 HB2 -0.10 -0.03 -0.00 -0.04 1.64 1.47 2c7fB1 LEU 450 HB3 0.06 -0.06 0.19 -0.04 1.64 1.79 2c7fB1 LEU 450 HG -0.00 -0.01 -0.15 -0.04 1.64 1.44 2c7fB1 LEU 450 HD13 -0.06 0.18 -0.74 -0.04 0.93 0.27 2c7fB1 LEU 450 HD23 -0.03 -0.08 -0.28 -0.04 0.89 0.46 2c7fB1 LEU 451 H -0.09 0.82 0.53 -0.55 8.37 9.08 2c7fB1 LEU 451 HA -0.02 0.05 0.24 -0.75 4.35 3.87 2c7fB1 GLU 452 H -0.07 0.35 0.33 -0.55 8.60 8.67 2c7fB1 GLU 452 HA -0.01 0.08 0.13 -0.75 4.29 3.73 2c7fB1 GLU 452 HB2 -0.03 -0.06 0.11 -0.04 2.09 2.07 2c7fB1 GLU 452 HB3 -0.03 0.30 0.33 -0.04 1.99 2.55 2c7fB1 GLU 452 HG2 -0.12 -0.06 -0.19 -0.04 2.34 1.94 2c7fB1 GLU 452 HG3 -0.15 -0.03 -0.25 -0.04 2.34 1.87 2c7fB1 HIS 453 H 0.03 0.27 0.05 -0.55 8.41 8.21 2c7fB1 HIS 453 HA -0.13 0.23 0.99 -0.75 4.63 4.97 2c7fB1 HIS 453 HB2 -0.07 -0.03 -0.09 -0.04 3.26 3.03 2c7fB1 HIS 453 HB3 -0.06 0.20 0.16 -0.04 3.20 3.46 2c7fB1 HIS 453 HD2 -0.05 -0.09 -0.23 -0.04 6.97 6.56 2c7fB1 HIS 453 HE1 -0.09 -0.02 -0.09 -0.04 7.75 7.51 2c7fB1 ILE 454 H -0.34 0.59 0.26 -0.55 8.25 8.21 2c7fB1 ILE 454 HA -0.15 0.08 0.83 -0.75 4.18 4.19 2c7fB1 ILE 454 HB -0.40 -0.02 0.12 -0.04 1.89 1.54 2c7fB1 ILE 454 HG12 -0.08 -0.02 -0.06 -0.04 1.49 1.29 2c7fB1 ILE 454 HG13 -0.21 -0.02 -0.03 -0.04 1.21 0.90 2c7fB1 ILE 454 HG23 -0.11 0.01 -0.13 -0.04 0.93 0.66 2c7fB1 ILE 454 HD13 -0.12 0.01 -0.06 -0.04 0.88 0.67 2c7fB1 VAL 455 H -0.08 0.63 0.42 -0.55 8.24 8.66 2c7fB1 VAL 455 HA -0.13 0.31 1.07 -0.75 4.13 4.62 2c7fB1 VAL 455 HB -0.04 0.07 -0.17 -0.04 2.12 1.93 2c7fB1 VAL 455 HG13 0.00 0.01 -0.03 -0.04 0.97 0.91 2c7fB1 VAL 455 HG23 0.05 -0.03 -0.07 -0.04 0.95 0.86 2c7fB1 LEU 456 H 0.17 0.39 0.22 -0.55 8.37 8.61 2c7fB1 LEU 456 HA 0.15 0.13 0.85 -0.75 4.35 4.73 2c7fB1 LEU 456 HB2 0.59 0.09 -0.18 -0.04 1.64 2.10 2c7fB1 LEU 456 HB3 0.53 -0.16 0.18 -0.04 1.64 2.16 2c7fB1 LEU 456 HG 0.36 -0.03 -0.16 -0.04 1.64 1.78 2c7fB1 LEU 456 HD13 0.19 0.05 -0.24 -0.04 0.93 0.88 2c7fB1 LEU 456 HD23 0.15 0.00 -0.12 -0.04 0.89 0.88 2c7fB1 GLU 457 H 0.00 0.28 0.16 -0.55 8.60 8.50 2c7fB1 GLU 457 HA 0.13 0.19 0.91 -0.75 4.29 4.77 2c7fB1 GLU 457 HB2 -0.03 0.06 0.03 -0.04 2.09 2.12 2c7fB1 GLU 457 HB3 0.08 -0.00 -0.19 -0.04 1.99 1.84 2c7fB1 GLU 457 HG2 -0.08 -0.01 -0.00 -0.04 2.34 2.20 2c7fB1 GLU 457 HG3 -0.10 -0.01 -0.18 -0.04 2.34 2.01 2c7fB1 HIS 458 H -0.50 0.42 0.18 -0.55 8.41 7.97 2c7fB1 HIS 458 HA -0.29 0.11 0.28 -0.75 4.63 3.98 2c7fB1 HIS 458 HB2 -0.84 0.12 -0.11 -0.04 3.26 2.39 2c7fB1 HIS 458 HB3 -0.56 -0.05 -0.13 -0.04 3.20 2.42 2c7fB1 HIS 458 HD2 -0.16 0.23 0.16 -0.04 6.97 7.15 2c7fB1 HIS 458 HE1 -0.02 0.01 0.07 -0.04 7.75 7.77 2c7fB1 GLN 459 H -0.45 0.19 0.14 -0.55 8.47 7.80 2c7fB1 GLN 459 HA -0.01 0.17 0.62 -0.75 4.36 4.38 2c7fB1 GLN 459 HB2 -0.12 0.03 0.11 -0.04 2.15 2.13 2c7fB1 GLN 459 HB3 -0.09 -0.01 0.10 -0.04 2.02 1.98 2c7fB1 GLN 459 HG2 -0.01 0.01 0.00 -0.04 2.40 2.36 2c7fB1 GLN 459 HG3 0.02 -0.01 0.08 -0.04 2.39 2.44 2c7fB1 GLN 459 HE21 -0.03 0.02 0.01 -0.04 6.97 6.94 2c7fB1 GLN 459 HE22 -0.06 -0.00 0.02 -0.04 7.69 7.61 2c7fB1 ASP 460 H 0.44 0.09 -0.15 -0.55 8.40 8.23 2c7fB1 ASP 460 HA 0.13 0.20 0.90 -0.75 4.63 5.10 2c7fB1 ASP 460 HB2 0.14 0.11 -0.05 -0.04 2.71 2.87 2c7fB1 ASP 460 HB3 0.22 0.01 0.16 -0.04 2.70 3.06 2c7fB1 LEU 461 H 0.16 0.30 0.12 -0.55 8.37 8.41 2c7fB1 LEU 461 HA 0.50 0.11 0.22 -0.75 4.35 4.43 2c7fB1 LEU 461 HB2 0.14 0.02 0.09 -0.04 1.64 1.85 2c7fB1 LEU 461 HB3 0.19 -0.09 0.09 -0.04 1.64 1.79 2c7fB1 LEU 461 HG 0.19 0.06 0.03 -0.04 1.64 1.88 2c7fB1 LEU 461 HD13 0.09 0.01 0.04 -0.04 0.93 1.03 2c7fB1 LEU 461 HD23 0.29 0.02 -0.00 -0.04 0.89 1.16 2c7fB1 LYS 462 H 0.11 0.09 -0.34 -0.55 8.42 7.73 2c7fB1 LYS 462 HA 0.11 0.05 0.64 -0.75 4.32 4.36 2c7fB1 LYS 462 HB2 0.05 0.05 -0.01 -0.04 1.87 1.92 2c7fB1 LYS 462 HB3 0.04 0.06 0.12 -0.04 1.79 1.96 2c7fB1 LYS 462 HG2 0.08 -0.12 -0.02 -0.04 1.46 1.36 2c7fB1 LYS 462 HG3 0.05 0.09 0.02 -0.04 1.46 1.58 2c7fB1 LYS 462 HD2 0.06 0.06 0.02 -0.04 1.69 1.79 2c7fB1 LYS 462 HD3 0.09 -0.05 -0.05 -0.04 1.68 1.63 2c7fB1 LYS 462 HE2 0.06 -0.06 -0.05 -0.04 2.99 2.90 2c7fB1 LYS 462 HE3 0.05 0.09 -0.00 -0.04 2.99 3.09 2c7fB1 ILE 463 H 0.04 0.40 -0.26 -0.55 8.25 7.88 2c7fB1 ILE 463 HA -0.04 0.07 0.44 -0.75 4.18 3.91 2c7fB1 ILE 463 HB -0.26 0.11 0.19 -0.04 1.89 1.89 2c7fB1 ILE 463 HG12 -0.03 -0.04 0.06 -0.04 1.49 1.43 2c7fB1 ILE 463 HG13 -0.19 0.02 0.06 -0.04 1.21 1.06 2c7fB1 ILE 463 HG23 -0.74 -0.00 -0.17 -0.04 0.93 -0.03 2c7fB1 ILE 463 HD13 -0.06 0.02 0.11 -0.04 0.88 0.92 2c7fB1 ARG 464 H -0.03 0.19 0.23 -0.55 8.46 8.29 2c7fB1 ARG 464 HA 0.09 0.18 1.00 -0.75 4.34 4.86 2c7fB1 ARG 464 HB2 -0.01 -0.02 0.02 -0.04 1.90 1.85 2c7fB1 ARG 464 HB3 0.06 0.09 0.09 -0.04 1.80 1.99 2c7fB1 ARG 464 HG2 0.05 0.03 -0.45 -0.04 1.67 1.27 2c7fB1 ARG 464 HG3 -0.00 0.11 -0.25 -0.04 1.67 1.48 2c7fB1 ARG 464 HD2 -0.05 -0.03 -0.14 -0.04 3.22 2.96 2c7fB1 ARG 464 HD3 -0.18 0.01 -0.10 -0.04 3.22 2.90 2c7fB1 ASN 465 H 0.17 0.17 0.25 -0.55 8.53 8.57 2c7fB1 ASN 465 HA -0.00 0.08 1.10 -0.75 4.76 5.19 2c7fB1 ASN 465 HB2 0.37 -0.04 0.20 -0.04 2.88 3.37 2c7fB1 ASN 465 HB3 0.20 0.13 0.18 -0.04 2.79 3.25 2c7fB1 ASN 465 HD21 0.28 0.29 -0.04 -0.04 7.03 7.52 2c7fB1 ASN 465 HD22 0.24 0.15 -0.33 -0.04 7.74 7.76 2c7fB1 SER 466 H -0.36 0.34 -0.15 -0.55 8.46 7.76 2c7fB1 SER 466 HA -1.73 0.13 0.42 -0.75 4.49 2.55 2c7fB1 SER 466 HB2 -0.50 -0.11 0.13 -0.04 3.95 3.44 2c7fB1 SER 466 HB3 -0.33 0.09 -0.21 -0.04 3.93 3.44 2c7fB1 VAL 467 H -0.92 0.17 0.06 -0.55 8.24 7.00 2c7fB1 VAL 467 HA -0.99 0.09 0.37 -0.75 4.13 2.85 2c7fB1 VAL 467 HB -0.38 -0.03 0.07 -0.04 2.12 1.74 2c7fB1 VAL 467 HG13 -0.21 0.02 -0.05 -0.04 0.97 0.69 2c7fB1 VAL 467 HG23 -0.04 0.01 0.07 -0.04 0.95 0.95 2c7fB1 ASN 468 H -0.37 0.03 -0.38 -0.55 8.53 7.26 2c7fB1 ASN 468 HA -0.15 0.19 0.82 -0.75 4.76 4.87 2c7fB1 ASN 468 HB2 -0.13 0.04 0.21 -0.04 2.88 2.96 2c7fB1 ASN 468 HB3 -0.11 0.04 0.09 -0.04 2.79 2.77 2c7fB1 ASN 468 HD21 -0.14 -0.01 -0.01 -0.04 7.03 6.83 2c7fB1 ASN 468 HD22 -0.16 0.05 0.03 -0.04 7.74 7.62 2c7fB1 GLY 469 H -0.14 0.17 -0.22 -0.55 8.43 7.69 2c7fB1 GLY 469 HA2 -0.07 0.04 0.39 -0.51 4.01 3.86 2c7fB1 GLY 469 HA3 -0.08 0.14 0.43 -0.51 4.01 4.00 2c7fB1 GLU 470 H 0.01 -0.06 0.25 -0.55 8.60 8.25 2c7fB1 GLU 470 HA 0.14 0.17 0.29 -0.75 4.29 4.14 2c7fB1 GLU 470 HB2 -0.03 -0.03 0.27 -0.04 2.09 2.25 2c7fB1 GLU 470 HB3 -0.07 0.09 0.24 -0.04 1.99 2.21 2c7fB1 GLU 470 HG2 -0.12 0.04 0.06 -0.04 2.34 2.28 2c7fB1 GLU 470 HG3 -0.07 0.04 -0.03 -0.04 2.34 2.25 2c7fB1 GLU 471 H 0.09 0.08 0.08 -0.55 8.60 8.30 2c7fB1 GLU 471 HA 0.20 0.22 0.81 -0.75 4.29 4.76 2c7fB1 GLU 471 HB2 0.00 0.10 0.03 -0.04 2.09 2.18 2c7fB1 GLU 471 HB3 0.05 -0.06 0.04 -0.04 1.99 1.97 2c7fB1 GLU 471 HG2 0.04 0.03 -0.16 -0.04 2.34 2.21 2c7fB1 GLU 471 HG3 -0.01 0.09 0.03 -0.04 2.34 2.41 2c7fB1 VAL 472 H 0.20 -0.01 -0.05 -0.55 8.24 7.83 2c7fB1 VAL 472 HA 0.10 0.29 0.83 -0.75 4.13 4.60 2c7fB1 VAL 472 HB 0.13 0.10 0.03 -0.04 2.12 2.34 2c7fB1 VAL 472 HG13 0.09 -0.03 -0.26 -0.04 0.97 0.74 2c7fB1 VAL 472 HG23 0.32 -0.01 -0.19 -0.04 0.95 1.02 2c7fB1 TYR 473 H -0.19 0.36 0.12 -0.55 8.29 8.03 2c7fB1 TYR 473 HA -0.39 0.12 0.64 -0.75 4.56 4.18 2c7fB1 TYR 473 HB2 -0.21 0.10 -0.01 -0.04 3.06 2.90 2c7fB1 TYR 473 HB3 0.04 0.00 -0.25 -0.04 2.98 2.74 2c7fB1 TYR 473 HD2 0.00 -0.02 -0.50 -0.04 7.15 6.60 2c7fB1 TYR 473 HE2 0.01 0.02 -0.08 -0.04 6.85 6.76 2c7fB1 PRO 474 HA 0.03 0.17 0.53 -0.51 4.44 4.66 2c7fB1 PRO 474 HB2 0.13 0.03 -0.02 -0.04 2.28 2.38 2c7fB1 PRO 474 HB3 0.36 0.02 0.03 -0.04 2.02 2.40 2c7fB1 PRO 474 HG2 -0.06 0.03 0.11 -0.04 2.03 2.08 2c7fB1 PRO 474 HG3 -0.14 0.08 0.05 -0.04 2.03 1.98 2c7fB1 PRO 474 HD2 -0.78 0.09 0.18 -0.04 3.68 3.12 2c7fB1 PRO 474 HD3 -1.82 0.09 0.15 -0.04 3.65 2.03 2c7fB1 LYS 475 H -0.07 0.37 0.44 -0.55 8.42 8.60 2c7fB1 LYS 475 HA -0.01 0.11 0.86 -0.75 4.32 4.52 2c7fB1 LYS 475 HB2 -0.07 -0.04 0.19 -0.04 1.87 1.90 2c7fB1 LYS 475 HB3 -0.05 -0.02 0.01 -0.04 1.79 1.69 2c7fB1 LYS 475 HG2 -0.17 0.03 0.01 -0.04 1.46 1.29 2c7fB1 LYS 475 HG3 -0.38 0.12 0.06 -0.04 1.46 1.22 2c7fB1 LYS 475 HD2 -0.14 -0.06 0.01 -0.04 1.69 1.46 2c7fB1 LYS 475 HD3 -0.08 -0.02 -0.00 -0.04 1.68 1.54 2c7fB1 LYS 475 HE2 -0.12 -0.05 0.00 -0.04 2.99 2.78 2c7fB1 LYS 475 HE3 -0.19 0.03 -0.00 -0.04 2.99 2.79 2c7fB1 ASN 476 H 0.02 0.18 0.10 -0.55 8.53 8.28 2c7fB1 ASN 476 HA -0.01 0.10 0.67 -0.75 4.76 4.76 2c7fB1 ASN 476 HB2 0.03 0.03 0.04 -0.04 2.88 2.94 2c7fB1 ASN 476 HB3 0.03 -0.02 0.23 -0.04 2.79 2.98 2c7fB1 ASN 476 HD21 0.02 0.03 0.01 -0.04 7.03 7.05 2c7fB1 ASN 476 HD22 0.03 -0.03 0.06 -0.04 7.74 7.75 2c7fB1 SER 477 H 0.01 0.37 0.25 -0.55 8.46 8.55 2c7fB1 SER 477 HA 0.02 0.24 0.96 -0.75 4.49 4.96 2c7fB1 SER 477 HB2 0.05 0.03 -0.03 -0.04 3.95 3.95 2c7fB1 SER 477 HB3 0.02 -0.19 0.15 -0.04 3.93 3.87 2c7fB1 ASP 478 H 0.02 0.03 0.13 -0.55 8.40 8.03 2c7fB1 ASP 478 HA -0.01 -0.06 0.26 -0.75 4.63 4.07 2c7fB1 ASP 478 HB2 0.05 0.32 -0.10 -0.04 2.71 2.94 2c7fB1 ASP 478 HB3 -0.16 0.08 0.12 -0.04 2.70 2.70 2c7fB1 LYS 479 H -0.05 0.03 0.11 -0.55 8.42 7.96 2c7fB1 LYS 479 HA -0.05 0.00 0.24 -0.75 4.32 3.76 2c7fB1 SER 480 H -0.06 -0.01 0.06 -0.55 8.46 7.90 2c7fB1 SER 480 HA -0.07 0.24 0.65 -0.75 4.49 4.56 2c7fB1 SER 480 HB2 -0.21 0.01 0.58 -0.04 3.95 4.29 2c7fB1 SER 480 HB3 -0.41 0.03 -0.40 -0.04 3.93 3.11 2c7fB1 SER 481 H 0.04 0.09 0.03 -0.55 8.46 8.07 2c7fB1 SER 481 HA 0.03 0.01 0.33 -0.75 4.49 4.11 2c7fB1 SER 481 HB2 -0.03 -0.17 0.26 -0.04 3.95 3.97 2c7fB1 SER 481 HB3 -0.01 0.55 0.47 -0.04 3.93 4.89 2c7fB1 PHE 482 H 0.11 0.18 0.12 -0.55 8.34 8.19 2c7fB1 PHE 482 HA -0.02 0.34 1.08 -0.75 4.62 5.27 2c7fB1 PHE 482 HB2 -0.02 -0.01 -0.25 -0.04 3.15 2.83 2c7fB1 PHE 482 HB3 -0.02 -0.07 0.16 -0.04 3.06 3.09 2c7fB1 PHE 482 HD2 -0.02 -0.08 -0.11 -0.04 7.28 7.03 2c7fB1 PHE 482 HE2 -0.01 0.15 -0.20 -0.04 7.38 7.27 2c7fB1 PHE 482 HZ -0.02 -0.05 -0.36 -0.04 7.32 6.86 2c7fB1 ASP 483 H -0.18 0.44 0.25 -0.55 8.40 8.36 2c7fB1 ASP 483 HA -0.25 0.20 0.98 -0.75 4.63 4.80 2c7fB1 ASP 483 HB2 -0.11 0.01 0.01 -0.04 2.71 2.58 2c7fB1 ASP 483 HB3 -0.08 0.02 0.01 -0.04 2.70 2.60 2c7fB1 ASP 484 H -0.21 0.15 0.13 -0.55 8.40 7.93 2c7fB1 ASP 484 HA -0.15 0.06 0.39 -0.75 4.63 4.17 2c7fB1 ASP 484 HB2 -0.10 -0.03 -0.04 -0.04 2.71 2.50 2c7fB1 ASP 484 HB3 -0.12 -0.06 0.12 -0.04 2.70 2.60 2c7fB1 GLY 485 H -0.14 0.11 0.26 -0.55 8.43 8.11 2c7fB1 GLY 485 HA2 -0.12 0.16 0.65 -0.51 4.01 4.19 2c7fB1 GLY 485 HA3 -0.06 0.02 0.35 -0.51 4.01 3.81 2c7fB1 ILE 486 H -0.25 0.66 0.14 -0.55 8.25 8.24 2c7fB1 ILE 486 HA 0.05 0.17 1.03 -0.75 4.18 4.68 2c7fB1 ILE 486 HB -0.05 -0.02 0.08 -0.04 1.89 1.85 2c7fB1 ILE 486 HG12 -0.00 0.05 -0.05 -0.04 1.49 1.45 2c7fB1 ILE 486 HG13 -0.03 -0.07 -0.42 -0.04 1.21 0.64 2c7fB1 ILE 486 HG23 0.01 -0.02 -0.30 -0.04 0.93 0.58 2c7fB1 ILE 486 HD13 -0.02 -0.01 -0.09 -0.04 0.88 0.72 2c7fB1 LEU 487 H 0.13 0.80 0.35 -0.55 8.37 9.11 2c7fB1 LEU 487 HA 0.28 0.24 1.10 -0.75 4.35 5.21 2c7fB1 LEU 487 HB2 0.20 -0.03 0.01 -0.04 1.64 1.78 2c7fB1 LEU 487 HB3 0.08 0.00 0.20 -0.04 1.64 1.88 2c7fB1 LEU 487 HG 0.03 0.07 -0.25 -0.04 1.64 1.44 2c7fB1 LEU 487 HD13 -0.08 0.00 -0.18 -0.04 0.93 0.64 2c7fB1 LEU 487 HD23 -0.03 -0.02 -0.13 -0.04 0.89 0.67 2c7fB1 THR 488 H 0.06 0.66 0.31 -0.55 8.28 8.75 2c7fB1 SER 489 H -0.02 0.52 0.04 -0.55 8.46 8.45 2c7fB1 SER 489 HA -0.12 0.18 0.90 -0.75 4.49 4.70 2c7fB1 SER 489 HB2 -0.03 -0.05 0.16 -0.04 3.95 3.99 2c7fB1 SER 489 HB3 -0.12 0.19 0.11 -0.04 3.93 4.06 2c7fB1 MET 490 H -0.04 0.02 -0.02 -0.55 8.47 7.89 2c7fB1 MET 490 HA -0.03 -0.05 0.27 -0.75 4.52 3.97 2c7fB1 LEU 491 H 0.00 0.19 0.04 -0.55 8.37 8.06 2c7fB1 LEU 491 HA 0.04 0.05 0.05 -0.75 4.35 3.74 2c7fB1 LEU 491 HB2 0.03 -0.05 0.01 -0.04 1.64 1.59 2c7fB1 LEU 491 HB3 0.04 -0.05 -0.03 -0.04 1.64 1.56 2c7fB1 LEU 491 HG 0.01 0.14 -0.33 -0.04 1.64 1.42 2c7fB1 LEU 491 HD13 0.01 -0.03 -0.18 -0.04 0.93 0.69 2c7fB1 LEU 491 HD23 0.05 0.25 0.06 -0.04 0.89 1.21 2c7fB1 ARG 492 H 0.07 0.18 0.01 -0.55 8.46 8.17 2c7fB1 ARG 492 HA 0.04 0.01 -0.14 -0.75 4.34 3.49 2c7fB1 ARG 492 HB2 0.05 0.01 -0.06 -0.04 1.90 1.85 2c7fB1 ARG 492 HB3 0.07 0.05 -0.11 -0.04 1.80 1.77 2c7fB1 ARG 492 HG2 0.04 -0.12 -0.02 -0.04 1.67 1.52 2c7fB1 ARG 492 HG3 0.02 0.00 -0.08 -0.04 1.67 1.57 2c7fB1 ARG 493 H 0.05 0.07 0.01 -0.55 8.46 8.04 2c7fB1 ARG 493 HA 0.06 0.11 0.26 -0.75 4.34 4.00 2c7fB1 ARG 493 HB2 0.07 -0.51 -0.10 -0.04 1.90 1.31 2c7fB1 ARG 493 HB3 0.06 0.16 -0.84 -0.04 1.80 1.14 2c7fB1 ARG 493 HG2 0.05 -0.00 -0.11 -0.04 1.67 1.57 2c7fB1 ARG 493 HG3 0.06 0.05 0.05 -0.04 1.67 1.79 2c7fB1 ARG 493 HD2 0.08 0.03 -0.05 -0.04 3.22 3.24 2c7fB1 ARG 493 HD3 0.10 -0.18 -0.12 -0.04 3.22 2.98 2c7fB1 ALA 494 H 0.06 0.33 0.52 -0.55 8.40 8.77 2c7fB1 ALA 494 HA 0.09 0.03 0.47 -0.75 4.34 4.17 2c7fB1 ALA 494 HB3 0.13 -0.01 0.32 -0.04 1.41 1.82 2c7fB1 SER 495 H 0.13 0.18 0.17 -0.55 8.46 8.39 2c7fB1 SER 495 HA 0.38 0.11 0.05 -0.75 4.49 4.28 2c7fB1 SER 495 HB2 0.22 0.04 -0.02 -0.04 3.95 4.14 2c7fB1 SER 495 HB3 0.18 0.10 0.10 -0.04 3.93 4.27 2c7fB1 TRP 496 H 0.41 0.48 0.27 -0.55 7.97 8.59 2c7fB1 TRP 496 HA 0.02 0.19 0.89 -0.75 4.62 4.97 2c7fB1 TRP 496 HB2 0.03 -0.03 0.05 -0.04 3.23 3.23 2c7fB1 TRP 496 HB3 0.11 -0.03 0.17 -0.04 3.23 3.44 2c7fB1 TRP 496 HD1 0.13 -0.08 -0.24 -0.04 7.22 7.00 2c7fB1 TRP 496 HE1 0.37 0.03 -0.20 -0.04 10.20 10.36 2c7fB1 TRP 496 HE3 -0.00 -0.06 -0.05 -0.04 7.59 7.43 2c7fB1 TRP 496 HZ2 -0.42 0.01 -0.08 -0.04 7.44 6.91 2c7fB1 TRP 496 HZ3 0.01 0.14 -0.07 -0.04 7.13 7.17 2c7fB1 TRP 496 HH2 -0.24 0.05 -0.06 -0.04 7.19 6.90 2c7fB1 ASN 497 H -0.53 0.62 0.36 -0.55 8.53 8.42 2c7fB1 ASN 497 HA -0.45 0.25 1.13 -0.75 4.76 4.93 2c7fB1 ASN 497 HB2 -0.18 0.01 0.13 -0.04 2.88 2.81 2c7fB1 ASN 497 HB3 -0.18 0.05 -0.04 -0.04 2.79 2.58 2c7fB1 ASN 497 HD21 0.13 -0.20 -0.06 -0.04 7.03 6.87 2c7fB1 ASN 497 HD22 0.29 0.13 -0.05 -0.04 7.74 8.07 2c7fB1 VAL 498 H -0.60 0.88 0.29 -0.55 8.24 8.26 2c7fB1 VAL 498 HA -0.37 0.29 0.98 -0.75 4.13 4.28 2c7fB1 VAL 498 HB -0.49 -0.09 0.17 -0.04 2.12 1.66 2c7fB1 VAL 498 HG13 -0.24 0.01 -0.16 -0.04 0.97 0.54 2c7fB1 VAL 498 HG23 -0.74 -0.01 -0.22 -0.04 0.95 -0.06 2c7fB1 ILE 499 H -0.11 0.75 0.26 -0.55 8.25 8.60 2c7fB1 ILE 499 HA -0.07 0.18 1.04 -0.75 4.18 4.58 2c7fB1 ILE 499 HB -0.03 -0.08 0.11 -0.04 1.89 1.85 2c7fB1 ILE 499 HG12 0.38 0.02 -0.16 -0.04 1.49 1.69 2c7fB1 ILE 499 HG13 -0.06 0.06 -0.13 -0.04 1.21 1.03 2c7fB1 ILE 499 HG23 0.04 0.00 -0.10 -0.04 0.93 0.83 2c7fB1 ILE 499 HD13 0.05 -0.01 -0.11 -0.04 0.88 0.77 2c7fB1 ARG 500 H -0.10 0.73 0.43 -0.55 8.46 8.96 2c7fB1 ARG 500 HA -0.11 0.32 1.18 -0.75 4.34 4.98 2c7fB1 ARG 500 HB2 -0.16 -0.07 0.14 -0.04 1.90 1.77 2c7fB1 ARG 500 HB3 -0.13 0.06 -0.01 -0.04 1.80 1.68 2c7fB1 ARG 500 HG2 -0.22 0.07 -0.15 -0.04 1.67 1.32 2c7fB1 ARG 500 HG3 -0.30 -0.06 -0.39 -0.04 1.67 0.88 2c7fB1 ARG 500 HD2 -1.25 0.00 -0.12 -0.04 3.22 1.81 2c7fB1 ARG 500 HD3 -0.45 -0.04 -0.11 -0.04 3.22 2.57 2c7fB1 ILE 501 H -0.11 0.73 0.46 -0.55 8.25 8.78 2c7fB1 ILE 501 HA -0.19 0.16 1.09 -0.75 4.18 4.48 2c7fB1 ILE 501 HB -0.18 -0.08 0.07 -0.04 1.89 1.65 2c7fB1 ILE 501 HG12 -0.52 -0.00 -0.23 -0.04 1.49 0.69 2c7fB1 ILE 501 HG13 -0.22 -0.04 -0.32 -0.04 1.21 0.59 2c7fB1 ILE 501 HG23 -0.51 -0.04 -0.11 -0.04 0.93 0.23 2c7fB1 ILE 501 HD13 -0.29 -0.01 -0.13 -0.04 0.88 0.40 2c7fB1 GLY 502 H -0.08 0.86 0.30 -0.55 8.43 8.97 2c7fB1 GLY 502 HA2 0.00 0.33 0.78 -0.51 4.01 4.61 2c7fB1 GLY 502 HA3 -0.00 0.02 0.25 -0.51 4.01 3.76