============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 69 rings ring int. center anis. iso. TRP 13 1.040 20.280 53.502 84.099 -99.200 -91.000 TRP6 13 1.020 22.159 54.359 85.258 -99.200 -91.000 HIS 15 0.900 24.817 59.887 88.061 -99.200 -91.000 TRP 16 1.040 20.110 64.355 89.463 -99.200 -91.000 TRP6 16 1.020 22.149 64.906 90.521 -99.200 -91.000 PHE 19 1.000 22.257 54.291 91.313 -99.200 -91.000 PHE 38 1.000 27.849 56.117 85.568 -99.200 -91.000 TRP 50 1.040 17.476 46.784 80.949 -99.200 -91.000 TRP6 50 1.020 15.314 47.647 81.373 -99.200 -91.000 TYR 55 0.840 14.861 51.772 77.404 -99.200 -91.000 TYR 57 0.840 22.979 57.747 72.779 -99.200 -91.000 TRP 64 1.040 31.276 63.971 84.988 -99.200 -91.000 TRP6 64 1.020 33.387 64.406 83.997 -99.200 -91.000 PHE 82 1.000 33.363 58.022 87.532 -99.200 -91.000 HIS 84 0.900 40.900 51.194 86.407 -99.200 -91.000 TYR 92 0.840 32.992 47.325 80.785 -99.200 -91.000 HIS 94 0.900 32.504 53.991 72.718 -99.200 -91.000 TYR 103 0.840 25.752 67.784 84.794 -99.200 -91.000 PHE 114 1.000 31.799 67.693 92.544 -99.200 -91.000 PHE 118 1.000 32.228 82.530 81.395 -99.200 -91.000 TYR 120 0.840 38.347 76.648 81.853 -99.200 -91.000 TYR 121 0.840 31.077 77.920 77.132 -99.200 -91.000 PHE 128 1.000 32.881 66.886 77.961 -99.200 -91.000 TRP 131 1.040 38.501 61.861 78.460 -99.200 -91.000 TRP6 131 1.020 37.439 63.260 80.043 -99.200 -91.000 PHE 138 1.000 27.258 73.051 78.390 -99.200 -91.000 TYR 142 0.840 26.285 77.589 91.549 -99.200 -91.000 TYR 153 0.840 22.379 75.711 77.724 -99.200 -91.000 HIS 155 0.900 32.209 79.328 72.599 -99.200 -91.000 TYR 169 0.840 24.581 71.253 73.257 -99.200 -91.000 TRP 173 1.040 19.018 78.462 75.667 -99.200 -91.000 TRP6 173 1.020 19.853 78.410 73.452 -99.200 -91.000 TYR 176 0.840 19.135 75.683 84.922 -99.200 -91.000 TRP 178 1.040 10.420 78.058 81.058 -99.200 -91.000 TRP6 178 1.020 8.645 78.960 79.772 -99.200 -91.000 PHE 180 1.000 17.670 85.043 83.937 -99.200 -91.000 TYR 185 0.840 10.482 76.255 74.049 -99.200 -91.000 TYR 191 0.840 22.512 77.820 68.022 -99.200 -91.000 HIS 194 0.900 17.837 64.889 74.159 -99.200 -91.000 TRP 195 1.040 13.599 71.672 73.682 -99.200 -91.000 TRP6 195 1.020 14.225 71.259 71.442 -99.200 -91.000 PHE 198 1.000 7.457 71.767 85.552 -99.200 -91.000 TRP 205 1.040 -0.304 60.696 91.172 -99.200 -91.000 TRP6 205 1.020 -0.375 60.444 88.823 -99.200 -91.000 TRP 214 1.040 5.708 74.201 82.589 -99.200 -91.000 TRP6 214 1.020 6.793 73.681 80.558 -99.200 -91.000 PHE 217 1.000 -0.955 77.552 81.706 -99.200 -91.000 TRP 231 1.040 13.559 64.184 69.553 -99.200 -91.000 TRP6 231 1.020 11.671 63.727 68.206 -99.200 -91.000 PHE 242 1.000 13.397 52.451 95.879 -99.200 -91.000 TRP 246 1.040 0.355 48.170 86.969 -99.200 -91.000 TRP6 246 1.020 2.154 47.855 85.470 -99.200 -91.000 TRP 256 1.040 8.514 60.833 80.120 -99.200 -91.000 TRP6 256 1.020 6.947 61.800 81.622 -99.200 -91.000 PHE 264 1.000 18.474 60.267 77.817 -99.200 -91.000 HIS 271 0.900 19.851 45.618 93.755 -99.200 -91.000 TYR 298 0.840 -3.076 66.925 69.746 -99.200 -91.000 PHE 306 1.000 -12.856 60.244 83.380 -99.200 -91.000 TRP 309 1.040 -2.618 64.187 77.811 -99.200 -91.000 TRP6 309 1.020 -0.624 65.472 77.800 -99.200 -91.000 TRP 318 1.040 -3.990 60.465 65.441 -99.200 -91.000 TRP6 318 1.020 -4.350 60.476 63.105 -99.200 -91.000 TYR 334 0.840 -13.488 60.154 78.649 -99.200 -91.000 PHE 352 1.000 -8.267 45.201 65.201 -99.200 -91.000 PHE 365 1.000 -11.606 45.516 61.532 -99.200 -91.000 TYR 366 0.840 -14.008 50.376 68.810 -99.200 -91.000 TRP 368 1.040 -15.544 59.496 61.067 -99.200 -91.000 TRP6 368 1.020 -17.125 61.082 60.304 -99.200 -91.000 HIS 375 0.900 -15.601 50.528 82.540 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3hg5B1 LEU 32 HA 0.05 0.00 0.08 -0.75 4.35 3.73 3hg5B1 LEU 32 HB2 0.20 -0.08 -0.64 -0.04 1.64 1.07 3hg5B1 LEU 32 HB3 0.14 -0.04 -0.15 -0.04 1.64 1.55 3hg5B1 LEU 32 HG 0.09 -0.18 -0.27 -0.04 1.64 1.25 3hg5B1 LEU 32 HD13 0.07 -0.03 -0.03 -0.04 0.93 0.90 3hg5B1 LEU 32 HD23 0.22 0.03 0.03 -0.04 0.89 1.13 3hg5B1 ASP 33 H 0.00 0.16 0.04 -0.55 8.40 8.05 3hg5B1 ASP 33 HA 0.02 0.17 0.70 -0.75 4.63 4.77 3hg5B1 ASP 33 HB2 -0.02 0.06 0.10 -0.04 2.71 2.81 3hg5B1 ASP 33 HB3 -0.01 -0.05 0.23 -0.04 2.70 2.83 3hg5B1 ASN 34 H 0.05 0.46 -0.23 -0.55 8.53 8.27 3hg5B1 ASN 34 HA 0.03 0.21 0.87 -0.75 4.76 5.12 3hg5B1 ASN 34 HB2 0.06 -0.02 0.13 -0.04 2.88 3.01 3hg5B1 ASN 34 HB3 0.05 0.03 -0.04 -0.04 2.79 2.79 3hg5B1 ASN 34 HD21 0.12 -0.09 0.02 -0.04 7.03 7.04 3hg5B1 ASN 34 HD22 0.09 0.04 0.02 -0.04 7.74 7.85 3hg5B1 GLY 35 H 0.05 0.19 -0.03 -0.55 8.43 8.10 3hg5B1 GLY 35 HA2 0.05 0.04 0.28 -0.51 4.01 3.87 3hg5B1 GLY 35 HA3 0.05 0.07 0.50 -0.51 4.01 4.13 3hg5B1 LEU 36 H 0.09 0.04 -0.27 -0.55 8.37 7.68 3hg5B1 LEU 36 HA 0.13 0.16 0.80 -0.75 4.35 4.68 3hg5B1 LEU 36 HB2 0.13 0.03 -0.07 -0.04 1.64 1.69 3hg5B1 LEU 36 HB3 0.15 -0.10 0.03 -0.04 1.64 1.69 3hg5B1 LEU 36 HG 0.10 0.14 -0.29 -0.04 1.64 1.54 3hg5B1 LEU 36 HD13 0.13 -0.02 -0.34 -0.04 0.93 0.66 3hg5B1 LEU 36 HD23 0.13 0.02 -0.14 -0.04 0.89 0.86 3hg5B1 ALA 37 H 0.18 0.08 0.12 -0.55 8.40 8.23 3hg5B1 ALA 37 HA 0.23 0.09 0.35 -0.75 4.34 4.25 3hg5B1 ALA 37 HB3 0.40 0.03 0.02 -0.04 1.41 1.82 3hg5B1 ARG 38 H 0.18 0.02 -0.17 -0.55 8.46 7.93 3hg5B1 ARG 38 HA 0.21 0.07 0.48 -0.75 4.34 4.34 3hg5B1 ARG 38 HB2 0.12 -0.05 -0.01 -0.04 1.90 1.92 3hg5B1 ARG 38 HB3 0.12 0.03 0.04 -0.04 1.80 1.95 3hg5B1 ARG 38 HG2 0.11 0.01 -0.13 -0.04 1.67 1.62 3hg5B1 ARG 38 HG3 0.08 -0.04 -0.04 -0.04 1.67 1.63 3hg5B1 ARG 38 HD2 0.10 0.13 -0.44 -0.04 3.22 2.98 3hg5B1 ARG 38 HD3 0.07 -0.09 -0.27 -0.04 3.22 2.89 3hg5B1 THR 39 H 0.16 -0.04 -0.11 -0.55 8.28 7.74 3hg5B1 THR 39 HA 0.05 0.29 0.54 -0.75 4.39 4.52 3hg5B1 THR 39 HB -0.16 0.11 0.04 -0.04 4.32 4.27 3hg5B1 THR 39 HG23 0.03 -0.01 -0.14 -0.04 1.22 1.06 3hg5B1 PRO 40 HA -1.12 -0.00 0.30 -0.51 4.44 3.11 3hg5B1 PRO 40 HB2 -0.56 0.03 -0.28 -0.04 2.28 1.43 3hg5B1 PRO 40 HB3 -0.83 -0.04 -0.56 -0.04 2.02 0.55 3hg5B1 PRO 40 HG2 -0.75 0.09 -0.19 -0.04 2.03 1.14 3hg5B1 PRO 40 HG3 -2.12 0.13 -0.15 -0.04 2.03 -0.15 3hg5B1 PRO 40 HD2 -0.54 0.10 0.05 -0.04 3.68 3.25 3hg5B1 PRO 40 HD3 -1.10 0.17 0.08 -0.04 3.65 2.75 3hg5B1 THR 41 H -0.35 0.07 0.11 -0.55 8.28 7.56 3hg5B1 THR 41 HA -0.15 0.09 0.39 -0.75 4.39 3.96 3hg5B1 THR 41 HB -0.35 -0.09 -0.05 -0.04 4.32 3.79 3hg5B1 THR 41 HG23 -0.32 -0.00 -0.11 -0.04 1.22 0.74 3hg5B1 MET 42 H -0.09 0.19 0.23 -0.55 8.47 8.26 3hg5B1 MET 42 HA -0.33 0.23 0.94 -0.75 4.52 4.61 3hg5B1 MET 42 HB2 -0.13 0.17 0.18 -0.04 2.15 2.33 3hg5B1 MET 42 HB3 -0.35 -0.07 -0.11 -0.04 2.03 1.45 3hg5B1 MET 42 HG2 -0.31 -0.05 -0.03 -0.04 2.63 2.20 3hg5B1 MET 42 HG3 -0.26 0.17 -0.25 -0.04 2.56 2.18 3hg5B1 MET 42 HE3 -0.86 -0.01 -0.21 -0.04 2.10 0.98 3hg5B1 GLY 43 H 0.11 0.75 0.33 -0.55 8.43 9.07 3hg5B1 GLY 43 HA2 0.43 -0.04 0.26 -0.51 4.01 4.16 3hg5B1 GLY 43 HA3 0.50 0.12 0.52 -0.51 4.01 4.65 3hg5B1 TRP 44 H 0.58 0.84 0.36 -0.55 7.97 9.20 3hg5B1 TRP 44 HA 0.13 0.22 0.93 -0.75 4.62 5.15 3hg5B1 TRP 44 HB2 -0.06 0.04 -0.21 -0.04 3.23 2.96 3hg5B1 TRP 44 HB3 0.09 -0.04 0.06 -0.04 3.23 3.30 3hg5B1 TRP 44 HD1 -0.31 0.01 -0.14 -0.04 7.22 6.74 3hg5B1 TRP 44 HE1 -0.07 0.06 -0.14 -0.04 10.20 10.00 3hg5B1 TRP 44 HE3 0.19 -0.10 -0.27 -0.04 7.59 7.37 3hg5B1 TRP 44 HZ2 0.23 0.16 0.03 -0.04 7.44 7.82 3hg5B1 TRP 44 HZ3 -0.01 0.00 -0.10 -0.04 7.13 6.99 3hg5B1 TRP 44 HH2 -0.47 -0.00 -0.07 -0.04 7.19 6.61 3hg5B1 LEU 45 H -0.62 0.88 0.27 -0.55 8.37 8.35 3hg5B1 LEU 45 HA -0.05 0.29 0.88 -0.75 4.35 4.71 3hg5B1 LEU 45 HB2 -0.18 0.08 -0.27 -0.04 1.64 1.22 3hg5B1 LEU 45 HB3 -0.14 0.04 -0.07 -0.04 1.64 1.42 3hg5B1 LEU 45 HG -0.09 -0.29 -0.19 -0.04 1.64 1.02 3hg5B1 LEU 45 HD13 -0.07 0.02 -0.26 -0.04 0.93 0.58 3hg5B1 LEU 45 HD23 -0.19 0.01 -0.15 -0.04 0.89 0.53 3hg5B1 HIS 46 H -0.04 0.31 0.16 -0.55 8.41 8.29 3hg5B1 HIS 46 HA -0.80 0.13 0.19 -0.75 4.63 3.40 3hg5B1 HIS 46 HB2 0.08 0.06 0.06 -0.04 3.26 3.42 3hg5B1 HIS 46 HB3 0.26 0.12 0.12 -0.04 3.20 3.66 3hg5B1 HIS 46 HD2 0.17 -0.19 -0.35 -0.04 6.97 6.55 3hg5B1 HIS 46 HE1 0.41 0.24 -0.31 -0.04 7.75 8.05 3hg5B1 TRP 47 H -0.09 0.11 -0.36 -0.55 7.97 7.08 3hg5B1 TRP 47 HA -0.18 0.07 -0.01 -0.75 4.62 3.75 3hg5B1 TRP 47 HB2 -0.28 -0.05 0.05 -0.04 3.23 2.91 3hg5B1 TRP 47 HB3 -0.14 0.04 0.05 -0.04 3.23 3.14 3hg5B1 TRP 47 HD1 -0.02 0.05 -0.16 -0.04 7.22 7.05 3hg5B1 TRP 47 HE1 0.01 0.05 -0.07 -0.04 10.20 10.15 3hg5B1 TRP 47 HE3 -0.17 0.03 -0.06 -0.04 7.59 7.35 3hg5B1 TRP 47 HZ2 0.04 0.05 -0.06 -0.04 7.44 7.43 3hg5B1 TRP 47 HZ3 0.10 0.16 -0.34 -0.04 7.13 7.01 3hg5B1 TRP 47 HH2 0.07 0.02 -0.13 -0.04 7.19 7.11 3hg5B1 GLU 48 H 0.01 0.16 -0.03 -0.55 8.60 8.20 3hg5B1 GLU 48 HA -0.17 0.07 0.27 -0.75 4.29 3.71 3hg5B1 GLU 48 HB2 0.04 -0.03 0.04 -0.04 2.09 2.10 3hg5B1 GLU 48 HB3 -0.06 0.10 0.02 -0.04 1.99 2.00 3hg5B1 GLU 48 HG2 0.01 0.05 -0.04 -0.04 2.34 2.31 3hg5B1 GLU 48 HG3 0.01 0.02 -0.24 -0.04 2.34 2.08 3hg5B1 ARG 49 H -0.13 0.09 -0.25 -0.55 8.46 7.62 3hg5B1 ARG 49 HA -0.20 0.07 0.40 -0.75 4.34 3.85 3hg5B1 ARG 49 HB2 -0.15 0.06 -0.27 -0.04 1.90 1.49 3hg5B1 ARG 49 HB3 -0.14 0.04 -0.17 -0.04 1.80 1.50 3hg5B1 ARG 49 HG2 -0.26 -0.12 -0.42 -0.04 1.67 0.83 3hg5B1 ARG 49 HG3 -1.40 0.07 -0.30 -0.04 1.67 0.01 3hg5B1 ARG 49 HD2 -0.17 0.03 0.07 -0.04 3.22 3.11 3hg5B1 ARG 49 HD3 -0.09 -0.05 -0.03 -0.04 3.22 3.02 3hg5B1 PHE 50 H 0.03 0.36 -0.08 -0.55 8.34 8.09 3hg5B1 PHE 50 HA -0.05 0.20 0.95 -0.75 4.62 4.96 3hg5B1 PHE 50 HB2 0.13 0.01 0.03 -0.04 3.15 3.28 3hg5B1 PHE 50 HB3 -0.04 0.08 -0.03 -0.04 3.06 3.03 3hg5B1 PHE 50 HD2 0.06 0.10 0.03 -0.04 7.28 7.42 3hg5B1 PHE 50 HE2 0.26 0.12 -0.03 -0.04 7.38 7.69 3hg5B1 PHE 50 HZ 0.11 -0.10 -0.03 -0.04 7.32 7.26 3hg5B1 MET 51 H -0.23 0.24 0.05 -0.55 8.47 7.99 3hg5B1 MET 51 HA -1.88 -0.03 0.32 -0.75 4.52 2.17 3hg5B1 MET 51 HB2 -0.35 0.06 -0.10 -0.04 2.15 1.72 3hg5B1 MET 51 HB3 -0.84 -0.11 0.11 -0.04 2.03 1.15 3hg5B1 MET 51 HG2 -0.92 0.28 0.04 -0.04 2.63 1.99 3hg5B1 MET 51 HG3 -0.38 0.03 -0.44 -0.04 2.56 1.72 3hg5B1 MET 51 HE3 -0.15 -0.00 -0.08 -0.04 2.10 1.82 3hg5B1 CYS 52 H -0.24 0.12 0.07 -0.55 8.50 7.91 3hg5B1 CYS 52 HA 0.22 0.27 0.75 -0.75 4.58 5.06 3hg5B1 CYS 52 HB2 0.44 -0.08 -0.06 -0.04 2.97 3.22 3hg5B1 CYS 52 HB3 0.18 0.01 0.13 -0.04 2.97 3.25 3hg5B1 ASN 53 H 0.03 0.48 -0.28 -0.55 8.53 8.21 3hg5B1 ASN 53 HA 0.04 -0.03 0.58 -0.75 4.76 4.60 3hg5B1 ASN 53 HB2 0.02 0.12 0.08 -0.04 2.88 3.05 3hg5B1 ASN 53 HB3 0.06 0.20 0.12 -0.04 2.79 3.13 3hg5B1 ASN 53 HD21 0.02 -0.06 -0.09 -0.04 7.03 6.87 3hg5B1 ASN 53 HD22 0.05 0.15 -0.16 -0.04 7.74 7.74 3hg5B1 LEU 54 H 0.06 0.17 0.25 -0.55 8.37 8.31 3hg5B1 LEU 54 HA 0.06 0.22 0.70 -0.75 4.35 4.58 3hg5B1 LEU 54 HB2 0.09 -0.02 0.07 -0.04 1.64 1.73 3hg5B1 LEU 54 HB3 0.10 -0.02 0.15 -0.04 1.64 1.82 3hg5B1 LEU 54 HG 0.15 0.27 -0.01 -0.04 1.64 2.01 3hg5B1 LEU 54 HD13 0.27 -0.01 0.02 -0.04 0.93 1.16 3hg5B1 LEU 54 HD23 0.12 -0.01 -0.09 -0.04 0.89 0.88 3hg5B1 ASP 55 H 0.03 0.11 -0.14 -0.55 8.40 7.85 3hg5B1 ASP 55 HA 0.02 0.14 0.57 -0.75 4.63 4.61 3hg5B1 ASP 55 HB2 0.02 0.06 0.08 -0.04 2.71 2.84 3hg5B1 ASP 55 HB3 0.02 0.05 0.18 -0.04 2.70 2.90 3hg5B1 CYS 56 H 0.01 0.40 0.10 -0.55 8.50 8.46 3hg5B1 CYS 56 HA -0.01 0.15 0.21 -0.75 4.58 4.18 3hg5B1 CYS 56 HB2 -0.02 0.01 -0.01 -0.04 2.97 2.92 3hg5B1 CYS 56 HB3 -0.03 0.04 0.04 -0.04 2.97 2.98 3hg5B1 GLN 57 H 0.00 -0.01 -0.26 -0.55 8.47 7.66 3hg5B1 GLN 57 HA -0.00 0.20 0.65 -0.75 4.36 4.45 3hg5B1 GLN 57 HB2 0.00 -0.08 0.07 -0.04 2.15 2.10 3hg5B1 GLN 57 HB3 -0.00 0.06 -0.03 -0.04 2.02 2.01 3hg5B1 GLN 57 HG2 0.00 -0.06 -0.01 -0.04 2.40 2.29 3hg5B1 GLN 57 HG3 0.00 0.03 0.00 -0.04 2.39 2.38 3hg5B1 GLN 57 HE21 -0.01 0.05 -0.06 -0.04 6.97 6.91 3hg5B1 GLN 57 HE22 -0.01 -0.07 -0.15 -0.04 7.69 7.42 3hg5B1 GLU 58 H 0.00 -0.03 -0.13 -0.55 8.60 7.89 3hg5B1 GLU 58 HA -0.00 0.24 0.76 -0.75 4.29 4.54 3hg5B1 GLU 58 HB2 0.00 -0.05 0.04 -0.04 2.09 2.04 3hg5B1 GLU 58 HB3 -0.00 0.04 0.04 -0.04 1.99 2.02 3hg5B1 GLU 58 HG2 0.00 -0.09 -0.09 -0.04 2.34 2.12 3hg5B1 GLU 58 HG3 -0.00 0.02 -0.02 -0.04 2.34 2.30 3hg5B1 GLU 59 H 0.00 0.33 -0.11 -0.55 8.60 8.28 3hg5B1 GLU 59 HA 0.00 0.20 0.78 -0.75 4.29 4.52 3hg5B1 GLU 59 HB2 0.01 0.05 0.14 -0.04 2.09 2.25 3hg5B1 GLU 59 HB3 0.02 -0.08 0.11 -0.04 1.99 1.99 3hg5B1 GLU 59 HG2 -0.00 -0.09 -0.29 -0.04 2.34 1.92 3hg5B1 GLU 59 HG3 -0.00 -0.01 -0.04 -0.04 2.34 2.25 3hg5B1 PRO 60 HA -0.02 0.03 0.34 -0.51 4.44 4.28 3hg5B1 PRO 60 HB2 -0.02 -0.01 -0.05 -0.04 2.28 2.16 3hg5B1 PRO 60 HB3 -0.01 0.26 0.11 -0.04 2.02 2.33 3hg5B1 PRO 60 HG2 0.00 -0.04 -0.02 -0.04 2.03 1.93 3hg5B1 PRO 60 HG3 -0.00 0.09 -0.03 -0.04 2.03 2.05 3hg5B1 PRO 60 HD2 0.00 0.17 -0.20 -0.04 3.68 3.60 3hg5B1 PRO 60 HD3 -0.00 0.20 -0.58 -0.04 3.65 3.23 3hg5B1 ASP 61 H 0.02 0.09 -0.34 -0.55 8.40 7.62 3hg5B1 ASP 61 HA 0.01 0.14 0.41 -0.75 4.63 4.43 3hg5B1 ASP 61 HB2 0.05 -0.01 0.01 -0.04 2.71 2.71 3hg5B1 ASP 61 HB3 0.10 0.02 0.01 -0.04 2.70 2.79 3hg5B1 SER 62 H 0.06 0.11 -0.25 -0.55 8.46 7.83 3hg5B1 SER 62 HA 0.37 0.22 0.85 -0.75 4.49 5.18 3hg5B1 SER 62 HB2 0.21 0.06 0.11 -0.04 3.95 4.29 3hg5B1 SER 62 HB3 0.16 -0.03 -0.08 -0.04 3.93 3.94 3hg5B1 CYS 63 H 0.02 0.17 -0.20 -0.55 8.50 7.94 3hg5B1 CYS 63 HA 0.03 0.11 0.38 -0.75 4.58 4.34 3hg5B1 CYS 63 HB2 0.00 -0.08 -0.42 -0.04 2.97 2.44 3hg5B1 CYS 63 HB3 0.00 0.19 -0.37 -0.04 2.97 2.75 3hg5B1 ILE 64 H 0.01 0.63 0.20 -0.55 8.25 8.54 3hg5B1 ILE 64 HA -0.12 0.04 0.56 -0.75 4.18 3.90 3hg5B1 ILE 64 HB 0.14 0.04 0.17 -0.04 1.89 2.20 3hg5B1 ILE 64 HG12 0.05 0.08 0.03 -0.04 1.49 1.61 3hg5B1 ILE 64 HG13 0.10 0.07 0.01 -0.04 1.21 1.35 3hg5B1 ILE 64 HG23 0.30 -0.03 -0.17 -0.04 0.93 0.99 3hg5B1 ILE 64 HD13 -0.30 0.01 -0.23 -0.04 0.88 0.31 3hg5B1 SER 65 H -0.19 0.26 0.24 -0.55 8.46 8.23 3hg5B1 SER 65 HA -0.70 0.26 0.87 -0.75 4.49 4.15 3hg5B1 SER 65 HB2 -0.26 0.04 0.21 -0.04 3.95 3.89 3hg5B1 SER 65 HB3 -0.18 0.05 -0.20 -0.04 3.93 3.56 3hg5B1 GLU 66 H -0.74 0.70 0.36 -0.55 8.60 8.37 3hg5B1 GLU 66 HA -0.04 0.08 0.56 -0.75 4.29 4.13 3hg5B1 GLU 66 HB2 -0.03 0.03 0.07 -0.04 2.09 2.12 3hg5B1 GLU 66 HB3 -0.06 -0.01 0.17 -0.04 1.99 2.06 3hg5B1 GLU 66 HG2 -0.20 0.25 0.22 -0.04 2.34 2.57 3hg5B1 GLU 66 HG3 -0.10 0.00 -0.06 -0.04 2.34 2.14 3hg5B1 LYS 67 H -0.19 0.16 -0.09 -0.55 8.42 7.74 3hg5B1 LYS 67 HA -0.14 0.09 0.46 -0.75 4.32 3.98 3hg5B1 LYS 67 HB2 -0.13 0.04 0.05 -0.04 1.87 1.79 3hg5B1 LYS 67 HB3 -0.11 0.05 -0.00 -0.04 1.79 1.69 3hg5B1 LYS 67 HG2 -0.10 0.00 0.02 -0.04 1.46 1.34 3hg5B1 LYS 67 HG3 -0.11 -0.01 0.07 -0.04 1.46 1.37 3hg5B1 LYS 67 HD2 -0.07 0.01 -0.00 -0.04 1.69 1.59 3hg5B1 LYS 67 HD3 -0.05 0.01 0.00 -0.04 1.68 1.60 3hg5B1 LYS 67 HE2 -0.08 -0.00 0.03 -0.04 2.99 2.90 3hg5B1 LYS 67 HE3 -0.07 0.04 0.00 -0.04 2.99 2.93 3hg5B1 LEU 68 H -0.20 0.12 -0.27 -0.55 8.37 7.48 3hg5B1 LEU 68 HA -0.27 0.08 0.44 -0.75 4.35 3.86 3hg5B1 LEU 68 HB2 -0.33 0.13 0.11 -0.04 1.64 1.51 3hg5B1 LEU 68 HB3 -0.48 0.07 0.15 -0.04 1.64 1.34 3hg5B1 LEU 68 HG -0.76 -0.09 -0.17 -0.04 1.64 0.59 3hg5B1 LEU 68 HD13 -0.48 0.03 0.05 -0.04 0.93 0.49 3hg5B1 LEU 68 HD23 -1.09 0.04 -0.09 -0.04 0.89 -0.30 3hg5B1 PHE 69 H 0.00 0.31 -0.18 -0.55 8.34 7.91 3hg5B1 PHE 69 HA -0.17 0.03 0.36 -0.75 4.62 4.09 3hg5B1 PHE 69 HB2 0.01 0.04 0.12 -0.04 3.15 3.29 3hg5B1 PHE 69 HB3 0.03 0.04 -0.04 -0.04 3.06 3.04 3hg5B1 PHE 69 HD2 0.13 0.13 -0.07 -0.04 7.28 7.43 3hg5B1 PHE 69 HE2 0.39 0.12 -0.14 -0.04 7.38 7.71 3hg5B1 PHE 69 HZ 0.49 -0.13 0.04 -0.04 7.32 7.67 3hg5B1 MET 70 H -0.02 0.65 -0.05 -0.55 8.47 8.50 3hg5B1 MET 70 HA 0.06 0.05 0.46 -0.75 4.52 4.34 3hg5B1 MET 70 HB2 -0.18 0.02 0.21 -0.04 2.15 2.16 3hg5B1 MET 70 HB3 -0.31 -0.02 -0.02 -0.04 2.03 1.64 3hg5B1 MET 70 HG2 -0.99 0.00 0.02 -0.04 2.63 1.62 3hg5B1 MET 70 HG3 -0.24 0.08 0.07 -0.04 2.56 2.42 3hg5B1 MET 70 HE3 -0.47 0.01 -0.03 -0.04 2.10 1.56 3hg5B1 GLU 71 H -0.12 0.66 -0.12 -0.55 8.60 8.47 3hg5B1 GLU 71 HA -0.05 0.01 0.39 -0.75 4.29 3.89 3hg5B1 GLU 71 HB2 -0.10 0.05 0.13 -0.04 2.09 2.13 3hg5B1 GLU 71 HB3 -0.15 0.05 0.11 -0.04 1.99 1.95 3hg5B1 GLU 71 HG2 -0.10 -0.05 -0.08 -0.04 2.34 2.07 3hg5B1 GLU 71 HG3 -0.06 -0.02 0.04 -0.04 2.34 2.27 3hg5B1 MET 72 H -0.27 0.66 -0.11 -0.55 8.47 8.20 3hg5B1 MET 72 HA -0.38 -0.07 0.43 -0.75 4.52 3.74 3hg5B1 MET 72 HB2 -0.70 0.24 0.13 -0.04 2.15 1.79 3hg5B1 MET 72 HB3 -0.68 0.05 -0.01 -0.04 2.03 1.35 3hg5B1 MET 72 HG2 -2.71 0.00 -0.05 -0.04 2.63 -0.16 3hg5B1 MET 72 HG3 -1.46 -0.01 -0.04 -0.04 2.56 1.01 3hg5B1 MET 72 HE3 -0.27 0.05 0.02 -0.04 2.10 1.86 3hg5B1 ALA 73 H -0.08 0.67 -0.17 -0.55 8.40 8.27 3hg5B1 ALA 73 HA -0.05 -0.00 0.47 -0.75 4.34 4.01 3hg5B1 ALA 73 HB3 0.09 0.04 0.10 -0.04 1.41 1.60 3hg5B1 GLU 74 H 0.02 0.50 -0.13 -0.55 8.60 8.46 3hg5B1 GLU 74 HA -0.00 0.04 0.48 -0.75 4.29 4.06 3hg5B1 GLU 74 HB2 -0.00 0.16 0.19 -0.04 2.09 2.39 3hg5B1 GLU 74 HB3 0.01 -0.06 0.02 -0.04 1.99 1.91 3hg5B1 GLU 74 HG2 0.08 -0.02 0.04 -0.04 2.34 2.40 3hg5B1 GLU 74 HG3 0.18 0.20 0.04 -0.04 2.34 2.72 3hg5B1 LEU 75 H -0.06 0.47 -0.18 -0.55 8.37 8.06 3hg5B1 LEU 75 HA 0.04 0.01 0.45 -0.75 4.35 4.10 3hg5B1 LEU 75 HB2 -0.10 0.07 0.05 -0.04 1.64 1.62 3hg5B1 LEU 75 HB3 0.07 0.01 -0.10 -0.04 1.64 1.58 3hg5B1 LEU 75 HG -0.04 0.00 -0.04 -0.04 1.64 1.52 3hg5B1 LEU 75 HD13 -0.11 -0.02 -0.30 -0.04 0.93 0.46 3hg5B1 LEU 75 HD23 0.00 0.02 -0.05 -0.04 0.89 0.82 3hg5B1 MET 76 H -0.04 0.55 -0.14 -0.55 8.47 8.30 3hg5B1 MET 76 HA 0.33 -0.05 0.39 -0.75 4.52 4.44 3hg5B1 MET 76 HB2 0.01 0.19 0.15 -0.04 2.15 2.46 3hg5B1 MET 76 HB3 0.12 0.03 -0.04 -0.04 2.03 2.10 3hg5B1 MET 76 HG2 -0.16 -0.08 -0.06 -0.04 2.63 2.29 3hg5B1 MET 76 HG3 -0.25 0.20 -0.01 -0.04 2.56 2.45 3hg5B1 MET 76 HE3 0.21 0.02 -0.40 -0.04 2.10 1.89 3hg5B1 VAL 77 H 0.05 0.42 -0.30 -0.55 8.24 7.86 3hg5B1 VAL 77 HA 0.06 0.02 0.63 -0.75 4.13 4.08 3hg5B1 VAL 77 HB 0.00 0.09 0.22 -0.04 2.12 2.39 3hg5B1 VAL 77 HG13 -0.00 -0.02 -0.06 -0.04 0.97 0.85 3hg5B1 VAL 77 HG23 0.00 0.01 0.08 -0.04 0.95 1.01 3hg5B1 SER 78 H 0.04 0.59 0.13 -0.55 8.46 8.67 3hg5B1 SER 78 HA 0.00 0.04 0.24 -0.75 4.49 4.01 3hg5B1 SER 78 HB2 -0.00 -0.06 0.11 -0.04 3.95 3.96 3hg5B1 SER 78 HB3 0.00 0.01 0.13 -0.04 3.93 4.04 3hg5B1 GLU 79 H 0.09 0.53 -0.36 -0.55 8.60 8.32 3hg5B1 GLU 79 HA -0.08 0.17 0.85 -0.75 4.29 4.47 3hg5B1 GLU 79 HB2 0.27 0.17 0.06 -0.04 2.09 2.55 3hg5B1 GLU 79 HB3 -0.09 -0.06 0.15 -0.04 1.99 1.95 3hg5B1 GLU 79 HG2 0.06 -0.07 -0.14 -0.04 2.34 2.14 3hg5B1 GLU 79 HG3 0.13 0.02 -0.01 -0.04 2.34 2.44 3hg5B1 GLY 80 H -0.05 0.43 -0.24 -0.55 8.43 8.03 3hg5B1 GLY 80 HA2 -0.07 0.01 0.30 -0.51 4.01 3.74 3hg5B1 GLY 80 HA3 -0.21 0.07 0.26 -0.51 4.01 3.62 3hg5B1 TRP 81 H 0.07 0.26 -0.19 -0.55 7.97 7.56 3hg5B1 TRP 81 HA 0.14 0.07 0.39 -0.75 4.62 4.46 3hg5B1 TRP 81 HB2 0.03 0.05 0.20 -0.04 3.23 3.47 3hg5B1 TRP 81 HB3 0.06 -0.03 -0.01 -0.04 3.23 3.20 3hg5B1 TRP 81 HD1 -0.04 0.15 -0.18 -0.04 7.22 7.10 3hg5B1 TRP 81 HE1 -0.05 0.01 -0.09 -0.04 10.20 10.03 3hg5B1 TRP 81 HE3 -0.32 0.02 -0.09 -0.04 7.59 7.17 3hg5B1 TRP 81 HZ2 -0.03 -0.03 -0.10 -0.04 7.44 7.24 3hg5B1 TRP 81 HZ3 -0.19 -0.01 -0.19 -0.04 7.13 6.70 3hg5B1 TRP 81 HH2 -0.04 -0.09 -0.11 -0.04 7.19 6.91 3hg5B1 LYS 82 H 0.24 0.51 0.06 -0.55 8.42 8.67 3hg5B1 LYS 82 HA 0.20 0.25 0.34 -0.75 4.32 4.35 3hg5B1 LYS 82 HB2 0.12 0.00 -0.05 -0.04 1.87 1.90 3hg5B1 LYS 82 HB3 0.08 -0.06 0.04 -0.04 1.79 1.80 3hg5B1 LYS 82 HG2 0.06 -0.04 -0.19 -0.04 1.46 1.25 3hg5B1 LYS 82 HG3 0.08 0.04 -0.04 -0.04 1.46 1.49 3hg5B1 LYS 82 HD2 0.03 0.18 -0.08 -0.04 1.69 1.78 3hg5B1 LYS 82 HD3 0.04 0.00 -0.05 -0.04 1.68 1.63 3hg5B1 LYS 82 HE2 0.03 -0.09 -0.04 -0.04 2.99 2.85 3hg5B1 LYS 82 HE3 0.02 -0.04 -0.06 -0.04 2.99 2.88 3hg5B1 ASP 83 H 0.07 0.07 -0.30 -0.55 8.40 7.69 3hg5B1 ASP 83 HA 0.03 0.07 0.36 -0.75 4.63 4.34 3hg5B1 ASP 83 HB2 -0.00 0.10 0.04 -0.04 2.71 2.80 3hg5B1 ASP 83 HB3 0.00 -0.02 0.01 -0.04 2.70 2.66 3hg5B1 ALA 84 H 0.12 0.28 -0.42 -0.55 8.40 7.83 3hg5B1 ALA 84 HA 0.03 0.03 0.50 -0.75 4.34 4.15 3hg5B1 ALA 84 HB3 0.19 0.01 0.11 -0.04 1.41 1.68 3hg5B1 GLY 85 H 0.11 0.28 -0.33 -0.55 8.43 7.94 3hg5B1 GLY 85 HA2 -0.01 0.04 0.19 -0.51 4.01 3.72 3hg5B1 GLY 85 HA3 -0.12 0.16 0.80 -0.51 4.01 4.34 3hg5B1 TYR 86 H 0.27 0.39 0.03 -0.55 8.29 8.43 3hg5B1 TYR 86 HA 0.13 0.01 0.31 -0.75 4.56 4.25 3hg5B1 TYR 86 HB2 0.29 -0.01 -0.07 -0.04 3.06 3.23 3hg5B1 TYR 86 HB3 0.19 -0.10 -0.15 -0.04 2.98 2.88 3hg5B1 TYR 86 HD2 0.24 0.07 0.06 -0.04 7.15 7.48 3hg5B1 TYR 86 HE2 0.18 0.03 -0.06 -0.04 6.85 6.96 3hg5B1 GLU 87 H 0.24 0.46 0.23 -0.55 8.60 8.99 3hg5B1 GLU 87 HA 0.11 0.15 0.57 -0.75 4.29 4.36 3hg5B1 GLU 87 HB2 0.07 0.09 -0.04 -0.04 2.09 2.17 3hg5B1 GLU 87 HB3 0.17 0.03 0.17 -0.04 1.99 2.32 3hg5B1 GLU 87 HG2 -0.09 -0.00 -0.01 -0.04 2.34 2.20 3hg5B1 GLU 87 HG3 -0.33 -0.15 -0.11 -0.04 2.34 1.70 3hg5B1 TYR 88 H 0.47 0.39 0.34 -0.55 8.29 8.94 3hg5B1 TYR 88 HA 0.20 0.23 0.68 -0.75 4.56 4.91 3hg5B1 TYR 88 HB2 0.39 -0.01 0.02 -0.04 3.06 3.41 3hg5B1 TYR 88 HB3 0.33 -0.05 -0.22 -0.04 2.98 2.99 3hg5B1 TYR 88 HD2 0.17 0.06 -0.13 -0.04 7.15 7.20 3hg5B1 TYR 88 HE2 0.13 0.09 -0.11 -0.04 6.85 6.92 3hg5B1 LEU 89 H 0.19 0.72 0.38 -0.55 8.37 9.12 3hg5B1 LEU 89 HA 0.44 0.06 0.87 -0.75 4.35 4.96 3hg5B1 LEU 89 HB2 0.15 0.04 0.06 -0.04 1.64 1.85 3hg5B1 LEU 89 HB3 0.15 0.06 0.20 -0.04 1.64 2.02 3hg5B1 LEU 89 HG 0.43 -0.05 -0.27 -0.04 1.64 1.72 3hg5B1 LEU 89 HD13 0.08 -0.01 -0.08 -0.04 0.93 0.88 3hg5B1 LEU 89 HD23 0.16 -0.01 -0.03 -0.04 0.89 0.97 3hg5B1 CYS 90 H 0.59 0.61 0.31 -0.55 8.50 9.46 3hg5B1 CYS 90 HA 0.18 0.10 1.00 -0.75 4.58 5.11 3hg5B1 CYS 90 HB2 0.14 0.08 0.09 -0.04 2.97 3.23 3hg5B1 CYS 90 HB3 0.04 -0.02 -0.19 -0.04 2.97 2.75 3hg5B1 ILE 91 H -0.02 0.91 0.27 -0.55 8.25 8.86 3hg5B1 ILE 91 HA 0.44 0.02 0.79 -0.75 4.18 4.68 3hg5B1 ILE 91 HB -0.37 -0.07 0.21 -0.04 1.89 1.61 3hg5B1 ILE 91 HG12 -1.46 -0.04 -0.03 -0.04 1.49 -0.08 3hg5B1 ILE 91 HG13 -0.45 0.10 0.08 -0.04 1.21 0.91 3hg5B1 ILE 91 HG23 -0.02 0.06 -0.05 -0.04 0.93 0.89 3hg5B1 ILE 91 HD13 -0.63 -0.02 0.00 -0.04 0.88 0.20 3hg5B1 ASP 92 H 0.43 0.10 0.05 -0.55 8.40 8.44 3hg5B1 ASP 92 HA 0.06 0.19 0.65 -0.75 4.63 4.78 3hg5B1 ASP 92 HB2 -0.25 -0.11 0.00 -0.04 2.71 2.31 3hg5B1 ASP 92 HB3 -0.33 0.13 0.07 -0.04 2.70 2.54 3hg5B1 ASP 93 H -0.65 0.04 0.05 -0.55 8.40 7.30 3hg5B1 ASP 93 HA -0.37 0.04 0.32 -0.75 4.63 3.86 3hg5B1 ASP 93 HB2 -1.21 -0.01 0.09 -0.04 2.71 1.53 3hg5B1 ASP 93 HB3 -0.20 0.09 -0.05 -0.04 2.70 2.50 3hg5B1 CYS 94 H -0.09 0.04 0.13 -0.55 8.50 8.03 3hg5B1 CYS 94 HA -0.63 0.01 0.27 -0.75 4.58 3.48 3hg5B1 CYS 94 HB2 0.27 0.28 0.09 -0.04 2.97 3.57 3hg5B1 CYS 94 HB3 0.06 0.05 0.10 -0.04 2.97 3.13 3hg5B1 TRP 95 H -0.16 0.04 -0.06 -0.55 7.97 7.25 3hg5B1 TRP 95 HA -0.00 0.25 0.83 -0.75 4.62 4.94 3hg5B1 TRP 95 HB2 -0.78 -0.05 0.04 -0.04 3.23 2.41 3hg5B1 TRP 95 HB3 -0.14 0.08 -0.04 -0.04 3.23 3.10 3hg5B1 TRP 95 HD1 0.05 0.40 -0.01 -0.04 7.22 7.62 3hg5B1 TRP 95 HE1 0.23 0.41 0.12 -0.04 10.20 10.92 3hg5B1 TRP 95 HE3 -0.41 -0.10 -0.24 -0.04 7.59 6.80 3hg5B1 TRP 95 HZ2 0.39 0.10 -0.01 -0.04 7.44 7.88 3hg5B1 TRP 95 HZ3 0.04 -0.11 -0.41 -0.04 7.13 6.60 3hg5B1 TRP 95 HH2 0.65 -0.00 -0.18 -0.04 7.19 7.62 3hg5B1 MET 96 H -0.95 -0.07 -0.02 -0.55 8.47 6.88 3hg5B1 MET 96 HA -0.52 0.08 0.66 -0.75 4.52 3.99 3hg5B1 MET 96 HB2 -0.57 0.21 0.12 -0.04 2.15 1.87 3hg5B1 MET 96 HB3 -2.02 -0.04 -0.00 -0.04 2.03 -0.07 3hg5B1 MET 96 HG2 -1.22 -0.23 0.07 -0.04 2.63 1.21 3hg5B1 MET 96 HG3 -0.52 0.01 -0.04 -0.04 2.56 1.97 3hg5B1 MET 96 HE3 -0.19 -0.04 0.01 -0.04 2.10 1.83 3hg5B1 ALA 97 H -0.15 0.63 0.07 -0.55 8.40 8.40 3hg5B1 ALA 97 HA -0.02 0.04 0.59 -0.75 4.34 4.20 3hg5B1 ALA 97 HB3 0.01 0.04 0.01 -0.04 1.41 1.43 3hg5B1 PRO 98 HA 0.20 0.05 0.37 -0.51 4.44 4.55 3hg5B1 PRO 98 HB2 0.03 0.02 0.03 -0.04 2.28 2.31 3hg5B1 PRO 98 HB3 0.04 0.03 0.10 -0.04 2.02 2.15 3hg5B1 PRO 98 HG2 0.06 0.02 0.10 -0.04 2.03 2.17 3hg5B1 PRO 98 HG3 0.14 0.05 0.11 -0.04 2.03 2.28 3hg5B1 PRO 98 HD2 0.04 0.09 0.21 -0.04 3.68 3.98 3hg5B1 PRO 98 HD3 0.07 0.09 0.26 -0.04 3.65 4.03 3hg5B1 GLN 99 H 0.01 0.11 -0.23 -0.55 8.47 7.81 3hg5B1 GLN 99 HA -0.03 0.17 0.81 -0.75 4.36 4.55 3hg5B1 GLN 99 HB2 -0.01 -0.03 -0.03 -0.04 2.15 2.04 3hg5B1 GLN 99 HB3 -0.02 0.06 0.10 -0.04 2.02 2.12 3hg5B1 GLN 99 HG2 -0.01 -0.11 -0.32 -0.04 2.40 1.93 3hg5B1 GLN 99 HG3 -0.01 -0.01 -0.05 -0.04 2.39 2.28 3hg5B1 GLN 99 HE21 -0.04 -0.02 0.03 -0.04 6.97 6.91 3hg5B1 GLN 99 HE22 -0.02 -0.08 -0.09 -0.04 7.69 7.45 3hg5B1 ARG 100 H -0.07 0.11 0.09 -0.55 8.46 8.04 3hg5B1 ARG 100 HA -0.05 0.07 0.60 -0.75 4.34 4.21 3hg5B1 ARG 100 HB2 -0.13 0.01 -0.03 -0.04 1.90 1.71 3hg5B1 ARG 100 HB3 -0.12 -0.07 -0.34 -0.04 1.80 1.22 3hg5B1 ARG 100 HG2 -0.21 -0.08 -0.42 -0.04 1.67 0.93 3hg5B1 ARG 100 HG3 -0.19 -0.06 -0.10 -0.04 1.67 1.27 3hg5B1 ARG 100 HD2 -0.52 -0.03 -0.05 -0.04 3.22 2.58 3hg5B1 ARG 100 HD3 -0.61 0.30 -0.17 -0.04 3.22 2.70 3hg5B1 ASP 101 H -0.00 0.49 0.15 -0.55 8.40 8.49 3hg5B1 ASP 101 HA 0.01 0.19 0.51 -0.75 4.63 4.59 3hg5B1 ASP 101 HB2 0.03 -0.15 0.23 -0.04 2.71 2.78 3hg5B1 ASP 101 HB3 0.05 0.09 0.10 -0.04 2.70 2.90 3hg5B1 SER 102 H 0.01 0.16 0.16 -0.55 8.46 8.25 3hg5B1 SER 102 HA 0.00 0.17 0.40 -0.75 4.49 4.31 3hg5B1 SER 102 HB2 0.01 0.06 0.10 -0.04 3.95 4.07 3hg5B1 SER 102 HB3 0.01 0.02 0.12 -0.04 3.93 4.04 3hg5B1 GLU 103 H 0.00 -0.01 -0.22 -0.55 8.60 7.82 3hg5B1 GLU 103 HA -0.00 0.21 0.65 -0.75 4.29 4.39 3hg5B1 GLU 103 HB2 -0.01 -0.09 0.01 -0.04 2.09 1.96 3hg5B1 GLU 103 HB3 -0.02 0.07 0.06 -0.04 1.99 2.05 3hg5B1 GLU 103 HG2 0.00 -0.04 -0.08 -0.04 2.34 2.18 3hg5B1 GLU 103 HG3 0.00 0.01 0.00 -0.04 2.34 2.31 3hg5B1 GLY 104 H -0.01 0.32 -0.51 -0.55 8.43 7.68 3hg5B1 GLY 104 HA2 -0.05 0.09 0.18 -0.51 4.01 3.72 3hg5B1 GLY 104 HA3 0.02 0.12 0.50 -0.51 4.01 4.15 3hg5B1 ARG 105 H -0.04 -0.10 -0.22 -0.55 8.46 7.55 3hg5B1 ARG 105 HA -0.14 0.19 0.74 -0.75 4.34 4.37 3hg5B1 ARG 105 HB2 -0.03 -0.12 -0.01 -0.04 1.90 1.70 3hg5B1 ARG 105 HB3 -0.13 0.14 -0.00 -0.04 1.80 1.77 3hg5B1 ARG 105 HG2 -0.13 0.05 -0.13 -0.04 1.67 1.42 3hg5B1 ARG 105 HG3 -0.07 -0.02 -0.19 -0.04 1.67 1.35 3hg5B1 ARG 105 HD2 -0.12 -0.02 -0.02 -0.04 3.22 3.02 3hg5B1 ARG 105 HD3 -0.26 0.03 -0.01 -0.04 3.22 2.94 3hg5B1 LEU 106 H -0.12 0.14 0.09 -0.55 8.37 7.92 3hg5B1 LEU 106 HA -0.00 0.07 0.50 -0.75 4.35 4.16 3hg5B1 LEU 106 HB2 0.22 -0.02 0.03 -0.04 1.64 1.83 3hg5B1 LEU 106 HB3 0.29 0.03 -0.04 -0.04 1.64 1.89 3hg5B1 LEU 106 HG -0.07 -0.01 0.01 -0.04 1.64 1.53 3hg5B1 LEU 106 HD13 0.31 -0.00 -0.05 -0.04 0.93 1.15 3hg5B1 LEU 106 HD23 -0.06 0.02 -0.09 -0.04 0.89 0.72 3hg5B1 GLN 107 H 0.08 0.27 0.23 -0.55 8.47 8.50 3hg5B1 GLN 107 HA 0.47 0.12 0.70 -0.75 4.36 4.90 3hg5B1 GLN 107 HB2 0.12 0.14 0.09 -0.04 2.15 2.46 3hg5B1 GLN 107 HB3 0.17 0.00 0.07 -0.04 2.02 2.22 3hg5B1 GLN 107 HG2 0.05 -0.04 0.12 -0.04 2.40 2.49 3hg5B1 GLN 107 HG3 0.03 -0.03 0.06 -0.04 2.39 2.41 3hg5B1 GLN 107 HE21 0.02 -0.05 -0.23 -0.04 6.97 6.66 3hg5B1 GLN 107 HE22 0.01 0.47 -0.28 -0.04 7.69 7.84 3hg5B1 ALA 108 H 0.13 0.08 0.12 -0.55 8.40 8.19 3hg5B1 ALA 108 HA 0.16 0.14 0.65 -0.75 4.34 4.54 3hg5B1 ALA 108 HB3 -0.10 0.01 0.08 -0.04 1.41 1.36 3hg5B1 ASP 109 H 0.06 0.66 0.18 -0.55 8.40 8.75 3hg5B1 ASP 109 HA 0.04 0.09 0.35 -0.75 4.63 4.36 3hg5B1 ASP 109 HB2 0.03 0.23 -0.15 -0.04 2.71 2.78 3hg5B1 ASP 109 HB3 0.25 -0.08 0.07 -0.04 2.70 2.90 3hg5B1 PRO 110 HA 0.04 0.17 0.33 -0.51 4.44 4.47 3hg5B1 PRO 110 HB2 0.01 0.04 -0.02 -0.04 2.28 2.28 3hg5B1 PRO 110 HB3 0.02 0.06 0.10 -0.04 2.02 2.17 3hg5B1 PRO 110 HG2 0.03 -0.01 0.10 -0.04 2.03 2.10 3hg5B1 PRO 110 HG3 0.03 0.06 0.09 -0.04 2.03 2.17 3hg5B1 PRO 110 HD2 0.04 0.04 0.25 -0.04 3.68 3.97 3hg5B1 PRO 110 HD3 0.04 0.23 0.23 -0.04 3.65 4.11 3hg5B1 GLN 111 H 0.04 0.08 -0.14 -0.55 8.47 7.91 3hg5B1 GLN 111 HA -0.01 0.18 0.61 -0.75 4.36 4.39 3hg5B1 GLN 111 HB2 0.02 -0.03 0.08 -0.04 2.15 2.18 3hg5B1 GLN 111 HB3 0.00 0.03 -0.03 -0.04 2.02 1.97 3hg5B1 GLN 111 HG2 0.01 0.01 0.02 -0.04 2.40 2.39 3hg5B1 GLN 111 HG3 0.00 0.05 0.02 -0.04 2.39 2.42 3hg5B1 GLN 111 HE21 0.01 0.01 -0.03 -0.04 6.97 6.92 3hg5B1 GLN 111 HE22 0.00 0.05 -0.06 -0.04 7.69 7.63 3hg5B1 ARG 112 H 0.07 0.00 -0.22 -0.55 8.46 7.77 3hg5B1 ARG 112 HA -0.10 0.15 0.65 -0.75 4.34 4.29 3hg5B1 ARG 112 HB2 0.14 0.00 0.10 -0.04 1.90 2.10 3hg5B1 ARG 112 HB3 -0.14 0.18 0.20 -0.04 1.80 2.00 3hg5B1 ARG 112 HG2 -0.03 -0.03 -0.08 -0.04 1.67 1.49 3hg5B1 ARG 112 HG3 0.03 -0.15 -0.06 -0.04 1.67 1.44 3hg5B1 ARG 112 HD2 0.04 0.26 0.05 -0.04 3.22 3.53 3hg5B1 ARG 112 HD3 0.03 0.05 0.05 -0.04 3.22 3.31 3hg5B1 PHE 113 H 0.20 0.51 -0.15 -0.55 8.34 8.34 3hg5B1 PHE 113 HA 0.00 0.04 0.78 -0.75 4.62 4.69 3hg5B1 PHE 113 HB2 0.02 0.12 0.08 -0.04 3.15 3.32 3hg5B1 PHE 113 HB3 -0.04 -0.12 0.09 -0.04 3.06 2.96 3hg5B1 PHE 113 HD2 -0.00 -0.02 -0.06 -0.04 7.28 7.15 3hg5B1 PHE 113 HE2 -0.00 0.11 -0.11 -0.04 7.38 7.33 3hg5B1 PHE 113 HZ 0.23 0.01 -0.26 -0.04 7.32 7.27 3hg5B1 PRO 114 HA -0.05 0.14 0.33 -0.51 4.44 4.36 3hg5B1 PRO 114 HB2 -0.34 -0.01 -0.01 -0.04 2.28 1.88 3hg5B1 PRO 114 HB3 -0.11 0.17 0.14 -0.04 2.02 2.18 3hg5B1 PRO 114 HG2 -0.16 -0.04 -0.02 -0.04 2.03 1.77 3hg5B1 PRO 114 HG3 -0.09 0.08 0.00 -0.04 2.03 1.98 3hg5B1 PRO 114 HD2 -0.05 0.04 -0.20 -0.04 3.68 3.44 3hg5B1 PRO 114 HD3 -0.05 0.24 -0.55 -0.04 3.65 3.25 3hg5B1 HIS 115 H 0.05 0.02 -0.44 -0.55 8.41 7.50 3hg5B1 HIS 115 HA -0.01 0.20 0.74 -0.75 4.63 4.81 3hg5B1 HIS 115 HB2 -0.03 -0.02 -0.02 -0.04 3.26 3.15 3hg5B1 HIS 115 HB3 -0.03 -0.01 0.09 -0.04 3.20 3.21 3hg5B1 HIS 115 HD2 -0.01 0.02 -0.01 -0.04 6.97 6.92 3hg5B1 HIS 115 HE1 -0.04 0.01 -0.05 -0.04 7.75 7.62 3hg5B1 GLY 116 H 0.05 0.40 -0.20 -0.55 8.43 8.13 3hg5B1 GLY 116 HA2 -0.12 0.05 0.34 -0.51 4.01 3.77 3hg5B1 GLY 116 HA3 -0.10 0.10 0.43 -0.51 4.01 3.92 3hg5B1 ILE 117 H -0.79 0.14 0.17 -0.55 8.25 7.22 3hg5B1 ILE 117 HA -0.40 0.09 0.44 -0.75 4.18 3.55 3hg5B1 ILE 117 HB -2.19 0.02 0.10 -0.04 1.89 -0.21 3hg5B1 ILE 117 HG12 -1.00 -0.11 0.06 -0.04 1.49 0.40 3hg5B1 ILE 117 HG13 -1.33 0.05 -0.04 -0.04 1.21 -0.15 3hg5B1 ILE 117 HG23 -0.30 0.05 -0.13 -0.04 0.93 0.51 3hg5B1 ILE 117 HD13 -0.71 0.01 -0.05 -0.04 0.88 0.09 3hg5B1 ARG 118 H -0.52 0.04 0.01 -0.55 8.46 7.44 3hg5B1 ARG 118 HA 0.04 0.41 0.49 -0.75 4.34 4.53 3hg5B1 ARG 118 HB2 0.25 0.00 0.14 -0.04 1.90 2.25 3hg5B1 ARG 118 HB3 0.03 -0.07 0.12 -0.04 1.80 1.85 3hg5B1 ARG 118 HG2 0.14 -0.02 -0.01 -0.04 1.67 1.74 3hg5B1 ARG 118 HG3 0.09 -0.02 -0.18 -0.04 1.67 1.51 3hg5B1 ARG 118 HD2 0.26 0.05 0.12 -0.04 3.22 3.61 3hg5B1 ARG 118 HD3 0.15 0.01 0.02 -0.04 3.22 3.36 3hg5B1 GLN 119 H -0.05 0.17 -0.21 -0.55 8.47 7.84 3hg5B1 GLN 119 HA 0.02 0.08 0.53 -0.75 4.36 4.24 3hg5B1 GLN 119 HB2 0.02 0.21 0.02 -0.04 2.15 2.35 3hg5B1 GLN 119 HB3 -0.01 -0.04 -0.01 -0.04 2.02 1.92 3hg5B1 GLN 119 HG2 0.03 -0.01 0.03 -0.04 2.40 2.42 3hg5B1 GLN 119 HG3 0.04 -0.03 0.05 -0.04 2.39 2.41 3hg5B1 GLN 119 HE21 0.08 -0.02 0.03 -0.04 6.97 7.02 3hg5B1 GLN 119 HE22 0.06 -0.02 0.02 -0.04 7.69 7.71 3hg5B1 LEU 120 H -0.07 0.26 -0.31 -0.55 8.37 7.70 3hg5B1 LEU 120 HA -0.01 0.02 0.56 -0.75 4.35 4.17 3hg5B1 LEU 120 HB2 -0.01 -0.02 0.09 -0.04 1.64 1.65 3hg5B1 LEU 120 HB3 -0.13 0.12 0.15 -0.04 1.64 1.74 3hg5B1 LEU 120 HG -0.05 0.05 -0.18 -0.04 1.64 1.42 3hg5B1 LEU 120 HD13 0.04 -0.02 0.01 -0.04 0.93 0.91 3hg5B1 LEU 120 HD23 -0.04 -0.03 -0.03 -0.04 0.89 0.75 3hg5B1 ALA 121 H -0.09 0.70 -0.02 -0.55 8.40 8.44 3hg5B1 ALA 121 HA -0.27 -0.03 0.50 -0.75 4.34 3.79 3hg5B1 ALA 121 HB3 -0.05 0.06 0.12 -0.04 1.41 1.49 3hg5B1 ASN 122 H 0.01 0.48 -0.08 -0.55 8.53 8.40 3hg5B1 ASN 122 HA 0.12 0.06 0.47 -0.75 4.76 4.66 3hg5B1 ASN 122 HB2 0.06 0.04 0.18 -0.04 2.88 3.12 3hg5B1 ASN 122 HB3 0.07 -0.05 0.02 -0.04 2.79 2.79 3hg5B1 ASN 122 HD21 0.07 -0.03 -0.05 -0.04 7.03 6.99 3hg5B1 ASN 122 HD22 0.05 -0.07 -0.00 -0.04 7.74 7.68 3hg5B1 TYR 123 H 0.11 0.44 -0.24 -0.55 8.29 8.05 3hg5B1 TYR 123 HA -0.02 0.01 0.42 -0.75 4.56 4.21 3hg5B1 TYR 123 HB2 -0.05 0.03 0.14 -0.04 3.06 3.14 3hg5B1 TYR 123 HB3 -0.05 0.11 0.18 -0.04 2.98 3.18 3hg5B1 TYR 123 HD2 -0.04 0.02 -0.07 -0.04 7.15 7.02 3hg5B1 TYR 123 HE2 -0.04 0.05 0.02 -0.04 6.85 6.83 3hg5B1 VAL 124 H 0.02 0.56 -0.12 -0.55 8.24 8.15 3hg5B1 VAL 124 HA -0.06 -0.02 0.40 -0.75 4.13 3.70 3hg5B1 VAL 124 HB -0.21 0.10 0.10 -0.04 2.12 2.08 3hg5B1 VAL 124 HG13 -0.02 0.04 -0.40 -0.04 0.97 0.55 3hg5B1 VAL 124 HG23 0.06 0.03 -0.01 -0.04 0.95 0.99 3hg5B1 HIS 125 H -0.21 0.64 -0.11 -0.55 8.41 8.19 3hg5B1 HIS 125 HA -0.02 0.28 0.54 -0.75 4.63 4.67 3hg5B1 HIS 125 HB2 0.00 0.04 0.15 -0.04 3.26 3.41 3hg5B1 HIS 125 HB3 -0.00 -0.08 0.07 -0.04 3.20 3.14 3hg5B1 HIS 125 HD2 -0.01 0.27 0.16 -0.04 6.97 7.35 3hg5B1 HIS 125 HE1 0.05 0.11 0.13 -0.04 7.75 8.00 3hg5B1 SER 126 H -0.02 0.44 -0.24 -0.55 8.46 8.10 3hg5B1 SER 126 HA -0.01 0.02 0.49 -0.75 4.49 4.24 3hg5B1 SER 126 HB2 -0.05 -0.10 0.11 -0.04 3.95 3.86 3hg5B1 SER 126 HB3 -0.03 0.08 0.15 -0.04 3.93 4.09 3hg5B1 LYS 127 H -0.15 0.35 -0.29 -0.55 8.42 7.77 3hg5B1 LYS 127 HA -0.09 0.06 0.67 -0.75 4.32 4.20 3hg5B1 LYS 127 HB2 -0.12 0.13 0.10 -0.04 1.87 1.94 3hg5B1 LYS 127 HB3 -0.08 -0.05 0.14 -0.04 1.79 1.76 3hg5B1 LYS 127 HG2 -0.40 0.02 -0.02 -0.04 1.46 1.01 3hg5B1 LYS 127 HG3 -0.36 -0.06 -0.06 -0.04 1.46 0.93 3hg5B1 LYS 127 HD2 -0.10 0.00 0.01 -0.04 1.69 1.56 3hg5B1 LYS 127 HD3 -0.12 0.02 0.03 -0.04 1.68 1.56 3hg5B1 LYS 127 HE2 -0.26 -0.02 -0.05 -0.04 2.99 2.62 3hg5B1 LYS 127 HE3 -0.07 -0.05 0.01 -0.04 2.99 2.84 3hg5B1 GLY 128 H -0.01 0.42 -0.63 -0.55 8.43 7.67 3hg5B1 GLY 128 HA2 0.01 0.06 0.31 -0.51 4.01 3.88 3hg5B1 GLY 128 HA3 0.00 -0.01 0.45 -0.51 4.01 3.94 3hg5B1 LEU 129 H 0.01 0.38 -0.04 -0.55 8.37 8.18 3hg5B1 LEU 129 HA 0.00 0.19 0.90 -0.75 4.35 4.69 3hg5B1 LEU 129 HB2 0.01 0.00 0.01 -0.04 1.64 1.62 3hg5B1 LEU 129 HB3 0.04 0.03 0.18 -0.04 1.64 1.84 3hg5B1 LEU 129 HG 0.02 0.10 -0.28 -0.04 1.64 1.44 3hg5B1 LEU 129 HD13 0.02 -0.04 0.01 -0.04 0.93 0.87 3hg5B1 LEU 129 HD23 0.08 -0.03 -0.02 -0.04 0.89 0.88 3hg5B1 LYS 130 H -0.08 0.61 0.32 -0.55 8.42 8.71 3hg5B1 LYS 130 HA 0.10 0.21 0.90 -0.75 4.32 4.77 3hg5B1 LYS 130 HB2 -0.88 -0.04 -0.07 -0.04 1.87 0.84 3hg5B1 LYS 130 HB3 -0.28 -0.05 -0.01 -0.04 1.79 1.42 3hg5B1 LYS 130 HG2 -0.06 0.06 -0.05 -0.04 1.46 1.37 3hg5B1 LYS 130 HG3 -0.17 0.04 -0.26 -0.04 1.46 1.02 3hg5B1 LYS 130 HD2 -0.50 -0.02 -0.06 -0.04 1.69 1.06 3hg5B1 LYS 130 HD3 -0.32 -0.02 -0.04 -0.04 1.68 1.26 3hg5B1 LYS 130 HE2 0.06 -0.01 -0.01 -0.04 2.99 2.99 3hg5B1 LYS 130 HE3 -0.02 0.03 -0.02 -0.04 2.99 2.94 3hg5B1 LEU 131 H 0.12 0.22 0.22 -0.55 8.37 8.38 3hg5B1 LEU 131 HA 0.08 0.38 1.10 -0.75 4.35 5.16 3hg5B1 LEU 131 HB2 -0.10 0.04 -0.00 -0.04 1.64 1.53 3hg5B1 LEU 131 HB3 -0.01 0.04 0.16 -0.04 1.64 1.79 3hg5B1 LEU 131 HG -0.09 0.03 -0.23 -0.04 1.64 1.31 3hg5B1 LEU 131 HD13 -0.11 0.03 -0.02 -0.04 0.93 0.79 3hg5B1 LEU 131 HD23 -0.14 -0.03 -0.13 -0.04 0.89 0.55 3hg5B1 GLY 132 H 0.13 0.77 0.39 -0.55 8.43 9.17 3hg5B1 GLY 132 HA2 0.09 0.21 1.01 -0.51 4.01 4.81 3hg5B1 GLY 132 HA3 0.13 -0.03 0.26 -0.51 4.01 3.85 3hg5B1 ILE 133 H -0.10 0.69 0.37 -0.55 8.25 8.66 3hg5B1 ILE 133 HA -0.28 0.15 0.86 -0.75 4.18 4.15 3hg5B1 ILE 133 HB -0.39 0.02 -0.10 -0.04 1.89 1.38 3hg5B1 ILE 133 HG12 -1.08 -0.06 0.11 -0.04 1.49 0.42 3hg5B1 ILE 133 HG13 -1.06 0.04 0.15 -0.04 1.21 0.29 3hg5B1 ILE 133 HG23 -0.76 0.02 -0.10 -0.04 0.93 0.05 3hg5B1 ILE 133 HD13 -1.28 -0.01 -0.05 -0.04 0.88 -0.50 3hg5B1 TYR 134 H 0.01 0.18 0.14 -0.55 8.29 8.07 3hg5B1 TYR 134 HA 0.09 0.32 1.05 -0.75 4.56 5.27 3hg5B1 TYR 134 HB2 0.08 0.12 -0.09 -0.04 3.06 3.13 3hg5B1 TYR 134 HB3 0.33 0.07 -0.29 -0.04 2.98 3.05 3hg5B1 TYR 134 HD2 0.14 0.04 -0.25 -0.04 7.15 7.04 3hg5B1 TYR 134 HE2 -0.06 -0.05 -0.09 -0.04 6.85 6.61 3hg5B1 ALA 135 H -0.25 0.74 0.41 -0.55 8.40 8.75 3hg5B1 ALA 135 HA 0.17 0.10 0.45 -0.75 4.34 4.30 3hg5B1 ALA 135 HB3 0.54 0.03 -0.04 -0.04 1.41 1.90 3hg5B1 ASP 136 H -0.04 0.29 0.13 -0.55 8.40 8.23 3hg5B1 ASP 136 HA -0.69 0.09 1.02 -0.75 4.63 4.29 3hg5B1 ASP 136 HB2 -0.10 -0.15 -0.18 -0.04 2.71 2.24 3hg5B1 ASP 136 HB3 -0.08 0.10 -0.30 -0.04 2.70 2.36 3hg5B1 VAL 137 H -0.83 0.75 0.23 -0.55 8.24 7.84 3hg5B1 VAL 137 HA -0.24 0.03 0.34 -0.75 4.13 3.51 3hg5B1 VAL 137 HB -1.14 0.05 0.05 -0.04 2.12 1.04 3hg5B1 VAL 137 HG13 -0.37 0.01 0.04 -0.04 0.97 0.61 3hg5B1 VAL 137 HG23 -0.25 0.02 -0.01 -0.04 0.95 0.67 3hg5B1 GLY 138 H -0.20 0.05 -0.30 -0.55 8.43 7.43 3hg5B1 GLY 138 HA2 -0.07 0.05 0.40 -0.51 4.01 3.87 3hg5B1 GLY 138 HA3 -0.05 0.26 0.10 -0.51 4.01 3.81 3hg5B1 ASN 139 H -0.01 0.42 0.24 -0.55 8.53 8.64 3hg5B1 ASN 139 HA 0.08 0.13 0.51 -0.75 4.76 4.72 3hg5B1 ASN 139 HB2 -0.04 0.02 0.17 -0.04 2.88 2.99 3hg5B1 ASN 139 HB3 -0.03 0.02 0.03 -0.04 2.79 2.77 3hg5B1 ASN 139 HD21 -0.15 -0.01 0.01 -0.04 7.03 6.84 3hg5B1 ASN 139 HD22 -0.09 -0.01 0.05 -0.04 7.74 7.65 3hg5B1 LYS 140 H 0.04 0.15 -0.08 -0.55 8.42 7.98 3hg5B1 LYS 140 HA -0.02 0.20 0.46 -0.75 4.32 4.20 3hg5B1 LYS 140 HB2 -0.47 -0.10 -0.08 -0.04 1.87 1.18 3hg5B1 LYS 140 HB3 -0.14 -0.00 -0.10 -0.04 1.79 1.51 3hg5B1 LYS 140 HG2 -0.14 0.11 -0.20 -0.04 1.46 1.18 3hg5B1 LYS 140 HG3 -0.18 -0.02 -0.38 -0.04 1.46 0.84 3hg5B1 LYS 140 HD2 -0.35 0.01 -0.04 -0.04 1.69 1.27 3hg5B1 LYS 140 HD3 -0.23 0.04 -0.05 -0.04 1.68 1.40 3hg5B1 LYS 140 HE2 -0.44 -0.06 -0.11 -0.04 2.99 2.34 3hg5B1 LYS 140 HE3 -1.18 -0.04 -0.07 -0.04 2.99 1.65 3hg5B1 THR 141 H 0.08 0.86 -0.03 -0.55 8.28 8.64 3hg5B1 THR 141 HA 0.12 0.05 0.48 -0.75 4.39 4.28 3hg5B1 THR 141 HB 0.38 -0.12 0.07 -0.04 4.32 4.61 3hg5B1 THR 141 HG23 0.21 0.10 -0.15 -0.04 1.22 1.34 3hg5B1 CYS 142 H 0.18 0.11 0.08 -0.55 8.50 8.32 3hg5B1 CYS 142 HA 0.15 0.14 0.43 -0.75 4.58 4.54 3hg5B1 CYS 142 HB2 -0.01 -0.03 0.07 -0.04 2.97 2.97 3hg5B1 CYS 142 HB3 0.05 0.11 0.03 -0.04 2.97 3.12 3hg5B1 ALA 143 H 0.15 -0.04 -0.17 -0.55 8.40 7.79 3hg5B1 ALA 143 HA 0.17 0.23 0.59 -0.75 4.34 4.58 3hg5B1 ALA 143 HB3 0.36 -0.00 0.01 -0.04 1.41 1.73 3hg5B1 GLY 144 H 0.11 0.06 -0.68 -0.55 8.43 7.38 3hg5B1 GLY 144 HA2 -0.13 0.08 0.13 -0.51 4.01 3.57 3hg5B1 GLY 144 HA3 -0.22 0.17 0.36 -0.51 4.01 3.81 3hg5B1 PHE 145 H 0.14 -0.18 -0.14 -0.55 8.34 7.60 3hg5B1 PHE 145 HA -0.07 0.31 0.66 -0.75 4.62 4.77 3hg5B1 PHE 145 HB2 -0.09 -0.22 -0.01 -0.04 3.15 2.79 3hg5B1 PHE 145 HB3 -0.16 0.19 -0.01 -0.04 3.06 3.04 3hg5B1 PHE 145 HD2 -0.03 -0.07 -0.20 -0.04 7.28 6.93 3hg5B1 PHE 145 HE2 0.03 -0.01 -0.07 -0.04 7.38 7.30 3hg5B1 PHE 145 HZ 0.04 0.01 -0.04 -0.04 7.32 7.28 3hg5B1 PRO 146 HA -0.03 0.08 0.32 -0.51 4.44 4.31 3hg5B1 PRO 146 HB2 -0.08 -0.06 -0.01 -0.04 2.28 2.09 3hg5B1 PRO 146 HB3 -0.10 0.06 0.04 -0.04 2.02 1.97 3hg5B1 PRO 146 HG2 -0.06 0.03 -0.20 -0.04 2.03 1.76 3hg5B1 PRO 146 HG3 -0.04 0.15 0.03 -0.04 2.03 2.13 3hg5B1 PRO 146 HD2 0.04 0.04 0.05 -0.04 3.68 3.77 3hg5B1 PRO 146 HD3 0.10 0.24 0.19 -0.04 3.65 4.13 3hg5B1 GLY 147 H -0.00 0.45 0.13 -0.55 8.43 8.46 3hg5B1 GLY 147 HA2 0.03 -0.07 0.44 -0.51 4.01 3.90 3hg5B1 GLY 147 HA3 0.03 0.08 -0.23 -0.51 4.01 3.38 3hg5B1 SER 148 H 0.07 0.59 0.16 -0.55 8.46 8.73 3hg5B1 SER 148 HA 0.09 0.16 0.57 -0.75 4.49 4.56 3hg5B1 SER 148 HB2 0.44 0.19 -0.01 -0.04 3.95 4.53 3hg5B1 SER 148 HB3 0.34 -0.11 -0.06 -0.04 3.93 4.05 3hg5B1 PHE 149 H 0.12 0.42 -0.13 -0.55 8.34 8.20 3hg5B1 PHE 149 HA -0.81 -0.05 0.52 -0.75 4.62 3.52 3hg5B1 PHE 149 HB2 -0.05 0.28 0.16 -0.04 3.15 3.50 3hg5B1 PHE 149 HB3 -0.08 -0.02 -0.14 -0.04 3.06 2.78 3hg5B1 PHE 149 HD2 -0.02 0.04 -0.06 -0.04 7.28 7.20 3hg5B1 PHE 149 HE2 -0.04 -0.01 -0.03 -0.04 7.38 7.27 3hg5B1 PHE 149 HZ -0.05 -0.00 -0.02 -0.04 7.32 7.21 3hg5B1 GLY 150 H -1.35 0.08 0.23 -0.55 8.43 6.85 3hg5B1 GLY 150 HA2 -0.86 -0.02 0.38 -0.51 4.01 3.01 3hg5B1 GLY 150 HA3 -0.88 0.16 0.57 -0.51 4.01 3.36 3hg5B1 TYR 151 H -0.57 0.67 -0.25 -0.55 8.29 7.60 3hg5B1 TYR 151 HA -0.24 0.16 0.88 -0.75 4.56 4.61 3hg5B1 TYR 151 HB2 -0.18 0.09 0.02 -0.04 3.06 2.95 3hg5B1 TYR 151 HB3 -0.16 -0.13 0.18 -0.04 2.98 2.83 3hg5B1 TYR 151 HD2 -0.14 0.06 -0.11 -0.04 7.15 6.92 3hg5B1 TYR 151 HE2 -0.08 -0.01 -0.00 -0.04 6.85 6.72 3hg5B1 TYR 152 H -0.57 0.09 0.04 -0.55 8.29 7.29 3hg5B1 TYR 152 HA -0.10 0.08 0.26 -0.75 4.56 4.03 3hg5B1 TYR 152 HB2 -0.79 -0.01 0.03 -0.04 3.06 2.25 3hg5B1 TYR 152 HB3 -0.31 0.05 -0.07 -0.04 2.98 2.60 3hg5B1 TYR 152 HD2 -0.50 0.00 -0.02 -0.04 7.15 6.59 3hg5B1 TYR 152 HE2 0.05 0.01 -0.04 -0.04 6.85 6.83 3hg5B1 ASP 153 H -0.05 0.08 -0.22 -0.55 8.40 7.66 3hg5B1 ASP 153 HA 0.01 0.17 0.45 -0.75 4.63 4.50 3hg5B1 ASP 153 HB2 -0.00 -0.04 0.05 -0.04 2.71 2.68 3hg5B1 ASP 153 HB3 -0.01 0.08 -0.05 -0.04 2.70 2.68 3hg5B1 ILE 154 H -0.06 0.10 -0.13 -0.55 8.25 7.62 3hg5B1 ILE 154 HA -0.11 0.14 0.61 -0.75 4.18 4.08 3hg5B1 ILE 154 HB -0.11 -0.01 -0.01 -0.04 1.89 1.72 3hg5B1 ILE 154 HG12 0.00 -0.10 0.10 -0.04 1.49 1.45 3hg5B1 ILE 154 HG13 -0.01 0.05 0.11 -0.04 1.21 1.31 3hg5B1 ILE 154 HG23 -0.05 0.01 -0.01 -0.04 0.93 0.85 3hg5B1 ILE 154 HD13 0.17 0.02 -0.00 -0.04 0.88 1.03 3hg5B1 ASP 155 H -0.12 0.63 -0.03 -0.55 8.40 8.34 3hg5B1 ASP 155 HA -0.51 -0.03 0.44 -0.75 4.63 3.77 3hg5B1 ASP 155 HB2 -0.06 0.10 0.06 -0.04 2.71 2.77 3hg5B1 ASP 155 HB3 -0.25 -0.04 -0.07 -0.04 2.70 2.30 3hg5B1 ALA 156 H -0.14 0.44 -0.23 -0.55 8.40 7.92 3hg5B1 ALA 156 HA 0.05 -0.01 0.29 -0.75 4.34 3.93 3hg5B1 ALA 156 HB3 -0.06 0.05 -0.10 -0.04 1.41 1.26 3hg5B1 GLN 157 H -0.15 0.32 -0.32 -0.55 8.47 7.77 3hg5B1 GLN 157 HA -0.09 0.09 0.51 -0.75 4.36 4.12 3hg5B1 GLN 157 HB2 -0.09 0.14 0.15 -0.04 2.15 2.31 3hg5B1 GLN 157 HB3 -0.15 0.01 0.14 -0.04 2.02 1.99 3hg5B1 GLN 157 HG2 -0.07 -0.02 0.01 -0.04 2.40 2.28 3hg5B1 GLN 157 HG3 -0.10 -0.06 -0.08 -0.04 2.39 2.10 3hg5B1 GLN 157 HE21 -0.03 0.11 0.05 -0.04 6.97 7.06 3hg5B1 GLN 157 HE22 -0.05 -0.08 0.04 -0.04 7.69 7.55 3hg5B1 THR 158 H -0.38 0.69 -0.11 -0.55 8.28 7.93 3hg5B1 THR 158 HA -0.55 -0.02 0.44 -0.75 4.39 3.51 3hg5B1 THR 158 HB -0.91 0.16 0.22 -0.04 4.32 3.75 3hg5B1 THR 158 HG23 -1.47 -0.04 -0.07 -0.04 1.22 -0.40 3hg5B1 PHE 159 H -0.56 0.60 -0.17 -0.55 8.34 7.65 3hg5B1 PHE 159 HA 0.02 -0.06 0.33 -0.75 4.62 4.16 3hg5B1 PHE 159 HB2 -0.03 0.21 0.04 -0.04 3.15 3.33 3hg5B1 PHE 159 HB3 0.05 -0.05 -0.07 -0.04 3.06 2.94 3hg5B1 PHE 159 HD2 0.08 -0.01 -0.13 -0.04 7.28 7.18 3hg5B1 PHE 159 HE2 0.30 -0.06 -0.17 -0.04 7.38 7.41 3hg5B1 PHE 159 HZ 0.33 -0.04 -0.13 -0.04 7.32 7.44 3hg5B1 ALA 160 H 0.02 0.43 -0.22 -0.55 8.40 8.08 3hg5B1 ALA 160 HA 0.10 0.10 0.45 -0.75 4.34 4.23 3hg5B1 ALA 160 HB3 0.02 0.04 0.11 -0.04 1.41 1.53 3hg5B1 ASP 161 H -0.08 0.68 -0.04 -0.55 8.40 8.41 3hg5B1 ASP 161 HA 0.03 0.05 0.50 -0.75 4.63 4.45 3hg5B1 ASP 161 HB2 -0.25 0.10 0.20 -0.04 2.71 2.71 3hg5B1 ASP 161 HB3 -0.03 -0.10 0.02 -0.04 2.70 2.55 3hg5B1 TRP 162 H 0.07 0.51 -0.18 -0.55 7.97 7.82 3hg5B1 TRP 162 HA 0.05 -0.04 0.47 -0.75 4.62 4.35 3hg5B1 TRP 162 HB2 0.08 0.13 0.06 -0.04 3.23 3.46 3hg5B1 TRP 162 HB3 0.02 -0.11 -0.11 -0.04 3.23 2.99 3hg5B1 TRP 162 HD1 0.04 0.07 -0.03 -0.04 7.22 7.26 3hg5B1 TRP 162 HE1 0.05 -0.00 0.03 -0.04 10.20 10.23 3hg5B1 TRP 162 HE3 0.13 0.05 -0.11 -0.04 7.59 7.62 3hg5B1 TRP 162 HZ2 0.10 0.06 0.05 -0.04 7.44 7.61 3hg5B1 TRP 162 HZ3 0.30 -0.01 -0.14 -0.04 7.13 7.24 3hg5B1 TRP 162 HH2 0.40 -0.04 -0.38 -0.04 7.19 7.13 3hg5B1 GLY 163 H 0.21 0.28 -0.64 -0.55 8.43 7.73 3hg5B1 GLY 163 HA2 0.17 0.13 0.26 -0.51 4.01 4.06 3hg5B1 GLY 163 HA3 0.26 0.01 0.47 -0.51 4.01 4.25 3hg5B1 VAL 164 H 0.22 0.59 0.07 -0.55 8.24 8.57 3hg5B1 VAL 164 HA 0.12 0.02 0.52 -0.75 4.13 4.04 3hg5B1 VAL 164 HB 0.19 0.02 -0.07 -0.04 2.12 2.22 3hg5B1 VAL 164 HG13 -0.05 -0.04 -0.17 -0.04 0.97 0.68 3hg5B1 VAL 164 HG23 0.15 -0.03 -0.11 -0.04 0.95 0.91 3hg5B1 ASP 165 H 0.15 0.59 0.40 -0.55 8.40 8.99 3hg5B1 ASP 165 HA 0.17 0.33 0.88 -0.75 4.63 5.26 3hg5B1 ASP 165 HB2 0.23 -0.07 0.08 -0.04 2.71 2.91 3hg5B1 ASP 165 HB3 0.22 0.02 0.13 -0.04 2.70 3.03 3hg5B1 LEU 166 H 0.14 0.26 0.30 -0.55 8.37 8.53 3hg5B1 LEU 166 HA 0.14 0.19 0.76 -0.75 4.35 4.69 3hg5B1 LEU 166 HB2 0.20 0.07 -0.16 -0.04 1.64 1.71 3hg5B1 LEU 166 HB3 0.25 -0.10 -0.07 -0.04 1.64 1.68 3hg5B1 LEU 166 HG 0.08 0.20 -0.10 -0.04 1.64 1.79 3hg5B1 LEU 166 HD13 0.09 -0.01 -0.18 -0.04 0.93 0.79 3hg5B1 LEU 166 HD23 0.03 -0.05 -0.38 -0.04 0.89 0.45 3hg5B1 LEU 167 H 0.11 0.90 0.27 -0.55 8.37 9.10 3hg5B1 LEU 167 HA -0.05 0.15 0.89 -0.75 4.35 4.60 3hg5B1 LEU 167 HB2 -0.07 0.01 -0.14 -0.04 1.64 1.41 3hg5B1 LEU 167 HB3 0.13 0.05 0.04 -0.04 1.64 1.82 3hg5B1 LEU 167 HG 0.19 -0.03 -0.53 -0.04 1.64 1.22 3hg5B1 LEU 167 HD13 -0.21 -0.00 -0.27 -0.04 0.93 0.41 3hg5B1 LEU 167 HD23 -0.03 -0.01 -0.18 -0.04 0.89 0.62 3hg5B1 LYS 168 H 0.04 0.72 0.32 -0.55 8.42 8.94 3hg5B1 LYS 168 HA 0.09 0.24 0.94 -0.75 4.32 4.83 3hg5B1 LYS 168 HB2 0.02 0.03 0.02 -0.04 1.87 1.89 3hg5B1 LYS 168 HB3 0.14 -0.02 0.17 -0.04 1.79 2.05 3hg5B1 LYS 168 HG2 0.09 -0.05 -0.26 -0.04 1.46 1.20 3hg5B1 LYS 168 HG3 0.07 0.05 -0.09 -0.04 1.46 1.46 3hg5B1 LYS 168 HD2 -0.00 0.04 -0.11 -0.04 1.69 1.57 3hg5B1 LYS 168 HD3 0.24 -0.09 -0.08 -0.04 1.68 1.71 3hg5B1 LYS 168 HE2 0.11 -0.06 -0.12 -0.04 2.99 2.88 3hg5B1 LYS 168 HE3 0.07 0.07 -0.12 -0.04 2.99 2.97 3hg5B1 PHE 169 H 0.19 0.76 0.27 -0.55 8.34 9.00 3hg5B1 PHE 169 HA -0.16 0.20 0.88 -0.75 4.62 4.80 3hg5B1 PHE 169 HB2 0.24 0.06 -0.15 -0.04 3.15 3.26 3hg5B1 PHE 169 HB3 0.17 -0.04 0.14 -0.04 3.06 3.29 3hg5B1 PHE 169 HD2 -0.19 -0.01 -0.18 -0.04 7.28 6.86 3hg5B1 PHE 169 HE2 -0.16 -0.01 -0.25 -0.04 7.38 6.92 3hg5B1 PHE 169 HZ 0.19 0.01 -0.23 -0.04 7.32 7.26 3hg5B1 ASP 170 H -0.57 0.72 0.52 -0.55 8.40 8.53 3hg5B1 ASP 170 HA -0.05 0.14 0.47 -0.75 4.63 4.44 3hg5B1 ASP 170 HB2 -0.35 0.11 0.09 -0.04 2.71 2.52 3hg5B1 ASP 170 HB3 -0.24 -0.10 0.09 -0.04 2.70 2.41 3hg5B1 GLY 171 H -0.65 0.12 0.17 -0.55 8.43 7.52 3hg5B1 GLY 171 HA2 -0.44 0.17 0.79 -0.51 4.01 4.01 3hg5B1 GLY 171 HA3 -1.05 0.12 0.26 -0.51 4.01 2.83 3hg5B1 CYS 172 H -0.39 -0.06 -0.01 -0.55 8.50 7.49 3hg5B1 CYS 172 HA -0.21 0.12 0.38 -0.75 4.58 4.12 3hg5B1 CYS 172 HB2 -0.03 -0.09 -0.16 -0.04 2.97 2.65 3hg5B1 CYS 172 HB3 -0.26 0.12 -0.10 -0.04 2.97 2.69 3hg5B1 TYR 173 H -0.39 0.17 0.11 -0.55 8.29 7.64 3hg5B1 TYR 173 HA -0.02 0.06 0.30 -0.75 4.56 4.15 3hg5B1 TYR 173 HB2 -0.06 0.11 -0.20 -0.04 3.06 2.87 3hg5B1 TYR 173 HB3 -0.05 -0.04 0.19 -0.04 2.98 3.05 3hg5B1 TYR 173 HD2 -0.02 0.06 -0.20 -0.04 7.15 6.95 3hg5B1 TYR 173 HE2 -0.00 0.08 -0.02 -0.04 6.85 6.86 3hg5B1 CYS 174 H -0.03 0.25 -0.37 -0.55 8.50 7.80 3hg5B1 CYS 174 HA -0.08 0.05 0.61 -0.75 4.58 4.40 3hg5B1 CYS 174 HB2 -0.11 0.00 -0.17 -0.04 2.97 2.66 3hg5B1 CYS 174 HB3 -0.08 0.18 0.06 -0.04 2.97 3.09 3hg5B1 ASP 175 H -0.01 0.16 -0.02 -0.55 8.40 7.98 3hg5B1 ASP 175 HA 0.21 0.26 0.66 -0.75 4.63 5.00 3hg5B1 ASP 175 HB2 0.04 -0.01 0.05 -0.04 2.71 2.74 3hg5B1 ASP 175 HB3 0.10 0.05 0.14 -0.04 2.70 2.95 3hg5B1 SER 176 H -0.08 0.05 -0.24 -0.55 8.46 7.65 3hg5B1 SER 176 HA -0.15 0.24 0.96 -0.75 4.49 4.78 3hg5B1 SER 176 HB2 -0.08 0.12 0.04 -0.04 3.95 3.99 3hg5B1 SER 176 HB3 -0.11 -0.04 0.13 -0.04 3.93 3.87 3hg5B1 LEU 177 H -0.46 0.27 0.10 -0.55 8.37 7.74 3hg5B1 LEU 177 HA -0.50 0.17 0.42 -0.75 4.35 3.69 3hg5B1 LEU 177 HB2 -0.63 0.07 0.15 -0.04 1.64 1.18 3hg5B1 LEU 177 HB3 -0.22 -0.05 0.05 -0.04 1.64 1.38 3hg5B1 LEU 177 HG -0.29 0.07 0.05 -0.04 1.64 1.43 3hg5B1 LEU 177 HD13 -0.03 0.02 -0.03 -0.04 0.93 0.84 3hg5B1 LEU 177 HD23 -0.04 -0.01 -0.07 -0.04 0.89 0.73 3hg5B1 GLU 178 H -0.13 0.08 -0.13 -0.55 8.60 7.87 3hg5B1 GLU 178 HA -0.05 0.14 0.48 -0.75 4.29 4.11 3hg5B1 GLU 178 HB2 -0.05 -0.07 0.09 -0.04 2.09 2.01 3hg5B1 GLU 178 HB3 -0.03 0.06 -0.03 -0.04 1.99 1.95 3hg5B1 GLU 178 HG2 -0.03 0.06 0.02 -0.04 2.34 2.35 3hg5B1 GLU 178 HG3 -0.05 -0.03 0.04 -0.04 2.34 2.26 3hg5B1 ASN 179 H -0.08 0.04 -0.16 -0.55 8.53 7.78 3hg5B1 ASN 179 HA 0.01 0.05 0.35 -0.75 4.76 4.41 3hg5B1 ASN 179 HB2 -0.11 0.00 0.09 -0.04 2.88 2.83 3hg5B1 ASN 179 HB3 -0.09 0.06 -0.02 -0.04 2.79 2.69 3hg5B1 ASN 179 HD21 -0.14 0.05 0.01 -0.04 7.03 6.92 3hg5B1 ASN 179 HD22 -0.25 -0.03 0.03 -0.04 7.74 7.45 3hg5B1 LEU 180 H -0.10 0.53 -0.30 -0.55 8.37 7.94 3hg5B1 LEU 180 HA -0.11 -0.01 0.39 -0.75 4.35 3.86 3hg5B1 LEU 180 HB2 -0.04 0.08 0.05 -0.04 1.64 1.69 3hg5B1 LEU 180 HB3 -0.05 0.12 0.12 -0.04 1.64 1.79 3hg5B1 LEU 180 HG 0.04 -0.07 -0.19 -0.04 1.64 1.38 3hg5B1 LEU 180 HD13 0.14 -0.01 0.01 -0.04 0.93 1.02 3hg5B1 LEU 180 HD23 0.25 0.04 -0.15 -0.04 0.89 0.99 3hg5B1 ALA 181 H -0.08 0.47 -0.07 -0.55 8.40 8.17 3hg5B1 ALA 181 HA -0.66 0.02 0.43 -0.75 4.34 3.37 3hg5B1 ALA 181 HB3 0.13 0.02 0.11 -0.04 1.41 1.63 3hg5B1 ASP 182 H -0.10 0.70 0.02 -0.55 8.40 8.48 3hg5B1 ASP 182 HA -0.13 0.04 0.41 -0.75 4.63 4.19 3hg5B1 ASP 182 HB2 -0.00 0.02 0.07 -0.04 2.71 2.76 3hg5B1 ASP 182 HB3 0.02 -0.04 -0.02 -0.04 2.70 2.62 3hg5B1 GLY 183 H -0.14 0.66 -0.21 -0.55 8.43 8.20 3hg5B1 GLY 183 HA2 -0.55 -0.06 0.47 -0.51 4.01 3.37 3hg5B1 GLY 183 HA3 -0.21 0.11 0.35 -0.51 4.01 3.75 3hg5B1 TYR 184 H -0.40 0.61 -0.00 -0.55 8.29 7.95 3hg5B1 TYR 184 HA -0.04 -0.02 0.43 -0.75 4.56 4.18 3hg5B1 TYR 184 HB2 -1.56 0.14 0.17 -0.04 3.06 1.77 3hg5B1 TYR 184 HB3 -0.83 0.03 -0.05 -0.04 2.98 2.10 3hg5B1 TYR 184 HD2 -0.33 0.17 0.01 -0.04 7.15 6.95 3hg5B1 TYR 184 HE2 0.00 0.07 0.03 -0.04 6.85 6.92 3hg5B1 LYS 185 H -0.51 0.55 -0.14 -0.55 8.42 7.77 3hg5B1 LYS 185 HA -0.51 0.10 0.53 -0.75 4.32 3.69 3hg5B1 LYS 185 HB2 -0.33 0.06 0.17 -0.04 1.87 1.72 3hg5B1 LYS 185 HB3 -0.36 -0.03 -0.02 -0.04 1.79 1.34 3hg5B1 LYS 185 HG2 -1.55 0.02 0.00 -0.04 1.46 -0.11 3hg5B1 LYS 185 HG3 -0.69 -0.03 0.01 -0.04 1.46 0.71 3hg5B1 LYS 185 HD2 0.10 -0.06 -0.07 -0.04 1.69 1.62 3hg5B1 LYS 185 HD3 -0.19 0.03 -0.28 -0.04 1.68 1.19 3hg5B1 LYS 185 HE2 -0.09 -0.01 -0.05 -0.04 2.99 2.81 3hg5B1 LYS 185 HE3 -0.00 0.03 -0.04 -0.04 2.99 2.94 3hg5B1 HIS 186 H -0.18 0.65 -0.05 -0.55 8.41 8.28 3hg5B1 HIS 186 HA -0.13 0.01 0.40 -0.75 4.63 4.15 3hg5B1 HIS 186 HB2 -0.21 0.15 0.18 -0.04 3.26 3.34 3hg5B1 HIS 186 HB3 -0.62 0.03 0.21 -0.04 3.20 2.78 3hg5B1 HIS 186 HD2 -0.07 -0.02 -0.25 -0.04 6.97 6.58 3hg5B1 HIS 186 HE1 0.02 0.00 -0.01 -0.04 7.75 7.71 3hg5B1 MET 187 H -0.39 0.67 -0.05 -0.55 8.47 8.16 3hg5B1 MET 187 HA -0.24 -0.03 0.39 -0.75 4.52 3.88 3hg5B1 MET 187 HB2 -0.63 -0.05 0.07 -0.04 2.15 1.50 3hg5B1 MET 187 HB3 -0.49 0.12 0.07 -0.04 2.03 1.69 3hg5B1 MET 187 HG2 -1.81 -0.07 -0.11 -0.04 2.63 0.59 3hg5B1 MET 187 HG3 -0.87 0.08 -0.21 -0.04 2.56 1.52 3hg5B1 MET 187 HE3 0.05 -0.02 -0.03 -0.04 2.10 2.06 3hg5B1 SER 188 H -0.14 0.40 -0.31 -0.55 8.46 7.87 3hg5B1 SER 188 HA -0.58 0.03 0.52 -0.75 4.49 3.70 3hg5B1 SER 188 HB2 0.42 0.07 0.22 -0.04 3.95 4.62 3hg5B1 SER 188 HB3 0.30 0.11 0.23 -0.04 3.93 4.52 3hg5B1 LEU 189 H -0.00 0.43 -0.09 -0.55 8.37 8.16 3hg5B1 LEU 189 HA 0.00 0.08 0.54 -0.75 4.35 4.21 3hg5B1 LEU 189 HB2 -0.04 0.08 0.13 -0.04 1.64 1.77 3hg5B1 LEU 189 HB3 -0.02 -0.06 0.04 -0.04 1.64 1.56 3hg5B1 LEU 189 HG 0.16 0.12 0.07 -0.04 1.64 1.94 3hg5B1 LEU 189 HD13 0.03 -0.03 -0.02 -0.04 0.93 0.87 3hg5B1 LEU 189 HD23 0.04 0.00 0.00 -0.04 0.89 0.90 3hg5B1 ALA 190 H -0.04 0.50 -0.11 -0.55 8.40 8.20 3hg5B1 ALA 190 HA 0.00 0.00 0.42 -0.75 4.34 4.02 3hg5B1 ALA 190 HB3 0.03 -0.01 -0.02 -0.04 1.41 1.37 3hg5B1 LEU 191 H -0.15 0.55 -0.21 -0.55 8.37 8.01 3hg5B1 LEU 191 HA -0.05 0.01 0.54 -0.75 4.35 4.09 3hg5B1 LEU 191 HB2 -0.20 0.18 0.15 -0.04 1.64 1.73 3hg5B1 LEU 191 HB3 -0.07 0.02 -0.01 -0.04 1.64 1.54 3hg5B1 LEU 191 HG -0.22 0.00 0.03 -0.04 1.64 1.40 3hg5B1 LEU 191 HD13 -0.50 -0.01 -0.10 -0.04 0.93 0.29 3hg5B1 LEU 191 HD23 0.04 -0.03 -0.07 -0.04 0.89 0.80 3hg5B1 ASN 192 H -0.06 0.41 -0.09 -0.55 8.53 8.24 3hg5B1 ASN 192 HA -0.00 0.07 0.41 -0.75 4.76 4.48 3hg5B1 ASN 192 HB2 -0.01 0.11 0.18 -0.04 2.88 3.13 3hg5B1 ASN 192 HB3 -0.01 0.06 0.18 -0.04 2.79 2.98 3hg5B1 ASN 192 HD21 0.01 -0.01 0.02 -0.04 7.03 7.00 3hg5B1 ASN 192 HD22 0.01 0.04 0.04 -0.04 7.74 7.78 3hg5B1 ARG 193 H -0.02 0.43 -0.33 -0.55 8.46 7.99 3hg5B1 ARG 193 HA -0.01 0.04 0.33 -0.75 4.34 3.94 3hg5B1 ARG 193 HB2 -0.02 0.09 0.08 -0.04 1.90 2.02 3hg5B1 ARG 193 HB3 -0.02 -0.07 0.06 -0.04 1.80 1.74 3hg5B1 ARG 193 HG2 -0.01 -0.04 0.02 -0.04 1.67 1.59 3hg5B1 ARG 193 HG3 -0.02 0.12 0.04 -0.04 1.67 1.78 3hg5B1 ARG 193 HD2 -0.02 -0.05 -0.01 -0.04 3.22 3.11 3hg5B1 ARG 193 HD3 -0.02 -0.06 -0.02 -0.04 3.22 3.08 3hg5B1 THR 194 H -0.01 0.42 -0.51 -0.55 8.28 7.63 3hg5B1 THR 194 HA -0.01 0.05 0.66 -0.75 4.39 4.33 3hg5B1 THR 194 HB -0.01 -0.08 0.09 -0.04 4.32 4.28 3hg5B1 THR 194 HG23 -0.03 0.06 -0.08 -0.04 1.22 1.14 3hg5B1 GLY 195 H 0.00 0.45 -0.13 -0.55 8.43 8.20 3hg5B1 GLY 195 HA2 0.01 0.06 0.29 -0.51 4.01 3.86 3hg5B1 GLY 195 HA3 0.01 0.06 0.54 -0.51 4.01 4.10 3hg5B1 ARG 196 H 0.02 0.04 -0.33 -0.55 8.46 7.64 3hg5B1 ARG 196 HA 0.03 0.07 0.55 -0.75 4.34 4.24 3hg5B1 ARG 196 HB2 0.03 -0.06 -0.02 -0.04 1.90 1.82 3hg5B1 ARG 196 HB3 0.05 0.00 -0.15 -0.04 1.80 1.66 3hg5B1 ARG 196 HG2 0.04 -0.01 -0.01 -0.04 1.67 1.65 3hg5B1 ARG 196 HG3 0.07 -0.01 -0.00 -0.04 1.67 1.69 3hg5B1 ARG 196 HD2 0.07 0.13 -0.17 -0.04 3.22 3.21 3hg5B1 ARG 196 HD3 0.04 -0.09 0.05 -0.04 3.22 3.18 3hg5B1 SER 197 H 0.05 0.13 0.11 -0.55 8.46 8.20 3hg5B1 SER 197 HA 0.06 0.10 0.63 -0.75 4.49 4.53 3hg5B1 SER 197 HB2 0.06 -0.04 0.19 -0.04 3.95 4.13 3hg5B1 SER 197 HB3 0.09 -0.01 0.01 -0.04 3.93 3.98 3hg5B1 ILE 198 H 0.08 0.28 0.08 -0.55 8.25 8.14 3hg5B1 ILE 198 HA 0.14 0.35 0.74 -0.75 4.18 4.66 3hg5B1 ILE 198 HB 0.06 -0.00 -0.08 -0.04 1.89 1.82 3hg5B1 ILE 198 HG12 0.11 0.22 -0.29 -0.04 1.49 1.49 3hg5B1 ILE 198 HG13 0.08 -0.07 -0.78 -0.04 1.21 0.40 3hg5B1 ILE 198 HG23 0.09 -0.05 -0.50 -0.04 0.93 0.42 3hg5B1 ILE 198 HD13 0.09 -0.04 -0.18 -0.04 0.88 0.71 3hg5B1 VAL 199 H 0.18 0.65 0.29 -0.55 8.24 8.81 3hg5B1 VAL 199 HA 0.13 0.09 0.60 -0.75 4.13 4.20 3hg5B1 VAL 199 HB 0.05 -0.09 0.16 -0.04 2.12 2.20 3hg5B1 VAL 199 HG13 0.10 -0.00 -0.17 -0.04 0.97 0.85 3hg5B1 VAL 199 HG23 0.10 0.03 0.03 -0.04 0.95 1.06 3hg5B1 TYR 200 H 0.18 0.23 0.23 -0.55 8.29 8.38 3hg5B1 TYR 200 HA 0.02 0.12 0.93 -0.75 4.56 4.87 3hg5B1 TYR 200 HB2 0.05 0.11 0.09 -0.04 3.06 3.26 3hg5B1 TYR 200 HB3 0.09 0.00 0.33 -0.04 2.98 3.36 3hg5B1 TYR 200 HD2 0.09 0.28 0.13 -0.04 7.15 7.60 3hg5B1 TYR 200 HE2 -0.04 -0.01 -0.06 -0.04 6.85 6.70 3hg5B1 SER 201 H 0.07 0.87 0.39 -0.55 8.46 9.24 3hg5B1 SER 201 HA -0.26 0.21 0.93 -0.75 4.49 4.62 3hg5B1 SER 201 HB2 -0.04 0.01 -0.08 -0.04 3.95 3.80 3hg5B1 SER 201 HB3 0.04 -0.03 0.27 -0.04 3.93 4.16 3hg5B1 CYS 202 H 0.06 0.83 0.46 -0.55 8.50 9.30 3hg5B1 CYS 202 HA 0.18 0.18 0.98 -0.75 4.58 5.17 3hg5B1 CYS 202 HB2 0.17 0.10 0.14 -0.04 2.97 3.34 3hg5B1 CYS 202 HB3 -0.15 -0.22 0.12 -0.04 2.97 2.68 3hg5B1 GLU 203 H 0.30 0.42 0.29 -0.55 8.60 9.06 3hg5B1 GLU 203 HA 0.24 0.20 0.96 -0.75 4.29 4.94 3hg5B1 GLU 203 HB2 0.32 -0.05 0.14 -0.04 2.09 2.45 3hg5B1 GLU 203 HB3 0.42 -0.02 0.17 -0.04 1.99 2.53 3hg5B1 GLU 203 HG2 0.20 0.07 -0.15 -0.04 2.34 2.42 3hg5B1 GLU 203 HG3 0.18 0.13 -0.21 -0.04 2.34 2.40 3hg5B1 TRP 204 H -0.28 0.08 -0.09 -0.55 7.97 7.13 3hg5B1 TRP 204 HA -0.49 0.01 0.32 -0.75 4.62 3.71 3hg5B1 TRP 204 HB2 -1.21 -0.01 0.08 -0.04 3.23 2.05 3hg5B1 TRP 204 HB3 -0.41 0.11 0.02 -0.04 3.23 2.90 3hg5B1 TRP 204 HD1 -0.18 -0.04 -0.14 -0.04 7.22 6.81 3hg5B1 TRP 204 HE1 -0.13 -0.03 -0.07 -0.04 10.20 9.93 3hg5B1 TRP 204 HE3 -0.21 0.05 -0.04 -0.04 7.59 7.35 3hg5B1 TRP 204 HZ2 -0.14 -0.06 -0.02 -0.04 7.44 7.17 3hg5B1 TRP 204 HZ3 -0.03 0.13 -0.08 -0.04 7.13 7.10 3hg5B1 TRP 204 HH2 -0.29 0.04 -0.10 -0.04 7.19 6.80 3hg5B1 PRO 205 HA -0.37 0.01 0.31 -0.51 4.44 3.88 3hg5B1 PRO 205 HB2 0.25 0.12 -0.02 -0.04 2.28 2.58 3hg5B1 PRO 205 HB3 -0.42 0.01 0.01 -0.04 2.02 1.57 3hg5B1 PRO 205 HG2 0.38 0.11 -0.24 -0.04 2.03 2.24 3hg5B1 PRO 205 HG3 -0.38 0.02 -0.09 -0.04 2.03 1.54 3hg5B1 PRO 205 HD2 0.22 0.24 -0.25 -0.04 3.68 3.85 3hg5B1 PRO 205 HD3 0.06 0.02 -0.06 -0.04 3.65 3.62 3hg5B1 LEU 206 H 0.21 0.37 -0.17 -0.55 8.37 8.23 3hg5B1 LEU 206 HA 0.40 0.18 0.36 -0.75 4.35 4.53 3hg5B1 LEU 206 HB2 0.11 0.01 -0.40 -0.04 1.64 1.32 3hg5B1 LEU 206 HB3 0.14 0.10 0.03 -0.04 1.64 1.86 3hg5B1 LEU 206 HG -0.54 -0.03 -0.35 -0.04 1.64 0.68 3hg5B1 LEU 206 HD13 -0.19 -0.03 -0.31 -0.04 0.93 0.37 3hg5B1 LEU 206 HD23 -0.09 -0.02 -0.15 -0.04 0.89 0.58 3hg5B1 TYR 207 H 0.34 0.42 -0.22 -0.55 8.29 8.28 3hg5B1 TYR 207 HA 0.14 0.10 0.63 -0.75 4.56 4.68 3hg5B1 TYR 207 HB2 0.19 0.06 0.03 -0.04 3.06 3.30 3hg5B1 TYR 207 HB3 0.18 0.03 0.13 -0.04 2.98 3.28 3hg5B1 TYR 207 HD2 0.09 0.24 -0.04 -0.04 7.15 7.40 3hg5B1 TYR 207 HE2 0.01 -0.01 -0.06 -0.04 6.85 6.74 3hg5B1 MET 208 H 0.14 0.31 -0.48 -0.55 8.47 7.90 3hg5B1 MET 208 HA 0.36 0.04 0.78 -0.75 4.52 4.94 3hg5B1 MET 208 HB2 0.14 0.07 0.02 -0.04 2.15 2.34 3hg5B1 MET 208 HB3 -0.25 0.16 0.16 -0.04 2.03 2.06 3hg5B1 MET 208 HG2 -0.21 0.15 -0.27 -0.04 2.63 2.26 3hg5B1 MET 208 HG3 0.07 -0.11 0.03 -0.04 2.56 2.50 3hg5B1 MET 208 HE3 0.24 -0.02 -0.02 -0.04 2.10 2.26 3hg5B1 TRP 209 H 0.10 0.31 0.06 -0.55 7.97 7.90 3hg5B1 TRP 209 HA 0.11 0.18 0.35 -0.75 4.62 4.51 3hg5B1 TRP 209 HB2 0.04 0.08 0.13 -0.04 3.23 3.44 3hg5B1 TRP 209 HB3 0.11 -0.07 -0.02 -0.04 3.23 3.20 3hg5B1 TRP 209 HD1 0.06 -0.01 0.12 -0.04 7.22 7.35 3hg5B1 TRP 209 HE1 0.38 0.01 0.00 -0.04 10.20 10.55 3hg5B1 TRP 209 HE3 0.17 -0.01 -0.00 -0.04 7.59 7.71 3hg5B1 TRP 209 HZ2 0.73 -0.00 0.01 -0.04 7.44 8.13 3hg5B1 TRP 209 HZ3 0.15 -0.05 0.03 -0.04 7.13 7.23 3hg5B1 TRP 209 HH2 0.21 -0.01 0.04 -0.04 7.19 7.39 3hg5B1 PRO 210 HA -0.05 0.02 0.39 -0.51 4.44 4.30 3hg5B1 PRO 210 HB2 -0.76 0.05 -0.13 -0.04 2.28 1.39 3hg5B1 PRO 210 HB3 -0.32 -0.04 0.04 -0.04 2.02 1.66 3hg5B1 PRO 210 HG2 -0.07 0.01 -0.04 -0.04 2.03 1.89 3hg5B1 PRO 210 HG3 -0.06 -0.02 0.01 -0.04 2.03 1.92 3hg5B1 PRO 210 HD2 0.14 0.02 -0.58 -0.04 3.68 3.23 3hg5B1 PRO 210 HD3 0.19 0.16 0.03 -0.04 3.65 3.99 3hg5B1 PHE 211 H 0.14 0.56 -0.46 -0.55 8.34 8.03 3hg5B1 PHE 211 HA 0.06 0.11 0.93 -0.75 4.62 4.96 3hg5B1 PHE 211 HB2 0.04 0.05 0.17 -0.04 3.15 3.37 3hg5B1 PHE 211 HB3 0.04 -0.11 0.03 -0.04 3.06 2.98 3hg5B1 PHE 211 HD2 0.06 0.08 0.05 -0.04 7.28 7.43 3hg5B1 PHE 211 HE2 0.06 0.11 0.01 -0.04 7.38 7.52 3hg5B1 PHE 211 HZ 0.04 -0.05 -0.07 -0.04 7.32 7.20 3hg5B1 GLN 212 H 0.20 0.55 0.19 -0.55 8.47 8.87 3hg5B1 GLN 212 HA 0.10 0.13 0.78 -0.75 4.36 4.62 3hg5B1 GLN 212 HB2 0.02 -0.06 -0.09 -0.04 2.15 1.98 3hg5B1 GLN 212 HB3 -0.01 0.08 0.03 -0.04 2.02 2.08 3hg5B1 GLN 212 HG2 0.07 0.08 -0.02 -0.04 2.40 2.49 3hg5B1 GLN 212 HG3 0.11 -0.09 -0.36 -0.04 2.39 2.00 3hg5B1 GLN 212 HE21 0.01 -0.03 -0.02 -0.04 6.97 6.89 3hg5B1 GLN 212 HE22 0.04 0.02 -0.03 -0.04 7.69 7.68 3hg5B1 LYS 213 H 0.03 0.08 0.11 -0.55 8.42 8.08 3hg5B1 LYS 213 HA -0.38 0.14 0.68 -0.75 4.32 4.01 3hg5B1 LYS 213 HB2 -0.00 0.07 0.08 -0.04 1.87 1.98 3hg5B1 LYS 213 HB3 0.15 -0.01 0.12 -0.04 1.79 2.02 3hg5B1 LYS 213 HG2 0.01 -0.06 0.11 -0.04 1.46 1.47 3hg5B1 LYS 213 HG3 -0.06 0.01 -0.06 -0.04 1.46 1.31 3hg5B1 LYS 213 HD2 0.07 -0.00 0.03 -0.04 1.69 1.75 3hg5B1 LYS 213 HD3 0.02 -0.03 0.01 -0.04 1.68 1.64 3hg5B1 LYS 213 HE2 0.01 0.00 -0.02 -0.04 2.99 2.94 3hg5B1 LYS 213 HE3 0.08 0.05 0.01 -0.04 2.99 3.09 3hg5B1 PRO 214 HA -0.51 0.01 0.36 -0.51 4.44 3.79 3hg5B1 PRO 214 HB2 -1.44 0.00 -0.10 -0.04 2.28 0.70 3hg5B1 PRO 214 HB3 -0.90 -0.02 -0.00 -0.04 2.02 1.06 3hg5B1 PRO 214 HG2 -1.31 0.04 0.09 -0.04 2.03 0.81 3hg5B1 PRO 214 HG3 -1.10 0.10 0.11 -0.04 2.03 1.10 3hg5B1 PRO 214 HD2 -1.28 0.08 0.19 -0.04 3.68 2.62 3hg5B1 PRO 214 HD3 -1.95 0.20 0.30 -0.04 3.65 2.16 3hg5B1 ASN 215 H -0.49 0.14 0.10 -0.55 8.53 7.73 3hg5B1 ASN 215 HA -0.25 0.17 0.81 -0.75 4.76 4.74 3hg5B1 ASN 215 HB2 -0.20 0.09 0.11 -0.04 2.88 2.84 3hg5B1 ASN 215 HB3 -0.32 -0.04 0.21 -0.04 2.79 2.60 3hg5B1 ASN 215 HD21 -0.08 0.04 0.01 -0.04 7.03 6.96 3hg5B1 ASN 215 HD22 -0.09 0.03 0.02 -0.04 7.74 7.66 3hg5B1 TYR 216 H -0.13 0.32 0.10 -0.55 8.29 8.03 3hg5B1 TYR 216 HA -0.60 0.04 0.33 -0.75 4.56 3.58 3hg5B1 TYR 216 HB2 -0.17 0.06 0.10 -0.04 3.06 3.01 3hg5B1 TYR 216 HB3 -0.25 0.12 -0.01 -0.04 2.98 2.80 3hg5B1 TYR 216 HD2 -0.42 0.05 -0.03 -0.04 7.15 6.71 3hg5B1 TYR 216 HE2 0.07 -0.00 -0.06 -0.04 6.85 6.81 3hg5B1 THR 217 H -0.12 0.06 -0.07 -0.55 8.28 7.60 3hg5B1 THR 217 HA -0.11 0.23 0.50 -0.75 4.39 4.25 3hg5B1 THR 217 HB -0.09 -0.10 0.04 -0.04 4.32 4.12 3hg5B1 THR 217 HG23 -0.06 0.03 -0.08 -0.04 1.22 1.07 3hg5B1 GLU 218 H -0.24 0.02 -0.36 -0.55 8.60 7.47 3hg5B1 GLU 218 HA -0.04 0.10 0.40 -0.75 4.29 4.00 3hg5B1 GLU 218 HB2 -0.14 -0.07 0.06 -0.04 2.09 1.90 3hg5B1 GLU 218 HB3 -0.41 0.13 0.09 -0.04 1.99 1.75 3hg5B1 GLU 218 HG2 0.14 0.03 -0.10 -0.04 2.34 2.37 3hg5B1 GLU 218 HG3 0.11 0.01 0.01 -0.04 2.34 2.42 3hg5B1 ILE 219 H -0.69 0.35 -0.08 -0.55 8.25 7.29 3hg5B1 ILE 219 HA -0.79 -0.02 0.43 -0.75 4.18 3.04 3hg5B1 ILE 219 HB -1.05 0.06 0.08 -0.04 1.89 0.94 3hg5B1 ILE 219 HG12 -2.11 -0.09 -0.07 -0.04 1.49 -0.82 3hg5B1 ILE 219 HG13 -1.79 0.01 -0.01 -0.04 1.21 -0.63 3hg5B1 ILE 219 HG23 -0.83 0.01 -0.19 -0.04 0.93 -0.13 3hg5B1 ILE 219 HD13 -1.22 -0.02 -0.23 -0.04 0.88 -0.64 3hg5B1 ARG 220 H -0.56 0.59 -0.12 -0.55 8.46 7.81 3hg5B1 ARG 220 HA -0.21 0.13 0.38 -0.75 4.34 3.89 3hg5B1 ARG 220 HB2 -0.09 0.01 0.05 -0.04 1.90 1.84 3hg5B1 ARG 220 HB3 -0.19 -0.01 0.16 -0.04 1.80 1.72 3hg5B1 ARG 220 HG2 -0.04 -0.11 -0.21 -0.04 1.67 1.28 3hg5B1 ARG 220 HG3 0.07 0.16 -0.14 -0.04 1.67 1.71 3hg5B1 ARG 220 HD2 0.13 0.26 0.04 -0.04 3.22 3.61 3hg5B1 ARG 220 HD3 0.00 -0.16 -0.01 -0.04 3.22 3.01 3hg5B1 GLN 221 H -0.11 0.18 -0.46 -0.55 8.47 7.54 3hg5B1 GLN 221 HA -0.10 0.06 0.41 -0.75 4.36 3.98 3hg5B1 GLN 221 HB2 -0.11 0.08 0.15 -0.04 2.15 2.23 3hg5B1 GLN 221 HB3 -0.22 0.07 0.08 -0.04 2.02 1.91 3hg5B1 GLN 221 HG2 -0.45 -0.02 0.01 -0.04 2.40 1.90 3hg5B1 GLN 221 HG3 -0.17 -0.00 0.06 -0.04 2.39 2.24 3hg5B1 GLN 221 HE21 -0.06 -0.08 -0.02 -0.04 6.97 6.77 3hg5B1 GLN 221 HE22 -0.52 0.02 -0.03 -0.04 7.69 7.12 3hg5B1 TYR 222 H 0.22 0.33 -0.28 -0.55 8.29 8.01 3hg5B1 TYR 222 HA 0.18 0.12 0.80 -0.75 4.56 4.91 3hg5B1 TYR 222 HB2 0.50 0.02 0.07 -0.04 3.06 3.60 3hg5B1 TYR 222 HB3 0.37 -0.07 0.07 -0.04 2.98 3.31 3hg5B1 TYR 222 HD2 0.17 0.23 0.08 -0.04 7.15 7.59 3hg5B1 TYR 222 HE2 0.08 -0.04 -0.00 -0.04 6.85 6.84 3hg5B1 CYS 223 H 0.26 0.47 0.05 -0.55 8.50 8.73 3hg5B1 CYS 223 HA 0.29 0.05 0.99 -0.75 4.58 5.17 3hg5B1 CYS 223 HB2 0.46 0.07 -0.04 -0.04 2.97 3.42 3hg5B1 CYS 223 HB3 0.30 0.01 0.06 -0.04 2.97 3.30 3hg5B1 ASN 224 H 0.14 0.25 0.41 -0.55 8.53 8.79 3hg5B1 ASN 224 HA 0.15 0.73 0.82 -0.75 4.76 5.70 3hg5B1 ASN 224 HB2 -0.02 -0.06 0.16 -0.04 2.88 2.92 3hg5B1 ASN 224 HB3 0.18 -0.07 -0.03 -0.04 2.79 2.83 3hg5B1 ASN 224 HD21 0.12 -0.19 0.02 -0.04 7.03 6.94 3hg5B1 ASN 224 HD22 0.12 0.43 0.15 -0.04 7.74 8.40 3hg5B1 HIS 225 H -0.09 0.27 0.29 -0.55 8.41 8.33 3hg5B1 HIS 225 HA -0.64 0.23 0.25 -0.75 4.63 3.71 3hg5B1 HIS 225 HB2 -0.09 -0.09 0.02 -0.04 3.26 3.06 3hg5B1 HIS 225 HB3 0.02 0.14 0.31 -0.04 3.20 3.63 3hg5B1 HIS 225 HD2 0.24 0.20 -0.27 -0.04 6.97 7.10 3hg5B1 HIS 225 HE1 0.31 -0.08 -0.18 -0.04 7.75 7.76 3hg5B1 TRP 226 H -0.41 0.53 0.23 -0.55 7.97 7.77 3hg5B1 TRP 226 HA 0.13 0.29 1.12 -0.75 4.62 5.41 3hg5B1 TRP 226 HB2 0.11 -0.05 -0.12 -0.04 3.23 3.14 3hg5B1 TRP 226 HB3 0.07 0.01 -0.20 -0.04 3.23 3.07 3hg5B1 TRP 226 HD1 0.31 -0.10 -0.11 -0.04 7.22 7.29 3hg5B1 TRP 226 HE1 0.14 0.01 -0.11 -0.04 10.20 10.20 3hg5B1 TRP 226 HE3 0.07 -0.10 -0.45 -0.04 7.59 7.06 3hg5B1 TRP 226 HZ2 0.03 0.04 -0.37 -0.04 7.44 7.09 3hg5B1 TRP 226 HZ3 0.01 0.60 -0.05 -0.04 7.13 7.64 3hg5B1 TRP 226 HH2 -0.07 0.25 -0.18 -0.04 7.19 7.14 3hg5B1 ARG 227 H 0.28 0.48 0.36 -0.55 8.46 9.04 3hg5B1 ARG 227 HA 0.20 0.33 0.82 -0.75 4.34 4.93 3hg5B1 ARG 227 HB2 0.21 -0.08 0.26 -0.04 1.90 2.24 3hg5B1 ARG 227 HB3 0.14 0.05 0.03 -0.04 1.80 1.98 3hg5B1 ARG 227 HG2 0.19 0.02 -0.01 -0.04 1.67 1.82 3hg5B1 ARG 227 HG3 0.15 -0.09 -0.03 -0.04 1.67 1.65 3hg5B1 ARG 227 HD2 0.15 0.14 -0.06 -0.04 3.22 3.41 3hg5B1 ARG 227 HD3 0.14 -0.11 -0.06 -0.04 3.22 3.15 3hg5B1 ASN 228 H 0.19 0.38 0.31 -0.55 8.53 8.86 3hg5B1 ASN 228 HA 0.43 0.06 0.67 -0.75 4.76 5.18 3hg5B1 ASN 228 HB2 0.17 0.04 0.07 -0.04 2.88 3.12 3hg5B1 ASN 228 HB3 0.21 -0.01 -0.05 -0.04 2.79 2.90 3hg5B1 ASN 228 HD21 0.57 0.05 -0.01 -0.04 7.03 7.60 3hg5B1 ASN 228 HD22 0.45 0.01 -0.05 -0.04 7.74 8.11 3hg5B1 PHE 229 H 0.02 0.14 0.10 -0.55 8.34 8.04 3hg5B1 PHE 229 HA -0.62 0.19 0.77 -0.75 4.62 4.20 3hg5B1 PHE 229 HB2 -1.14 0.01 -0.18 -0.04 3.15 1.80 3hg5B1 PHE 229 HB3 -0.32 0.08 -0.01 -0.04 3.06 2.76 3hg5B1 PHE 229 HD2 -0.88 0.09 -0.03 -0.04 7.28 6.42 3hg5B1 PHE 229 HE2 -0.18 -0.03 -0.16 -0.04 7.38 6.97 3hg5B1 PHE 229 HZ -0.06 -0.04 -0.05 -0.04 7.32 7.13 3hg5B1 ALA 230 H -1.73 0.11 0.08 -0.55 8.40 6.31 3hg5B1 ALA 230 HA -0.36 -0.02 0.32 -0.75 4.34 3.53 3hg5B1 ALA 230 HB3 -0.67 0.01 0.05 -0.04 1.41 0.76 3hg5B1 ASP 231 H -0.12 0.03 0.11 -0.55 8.40 7.87 3hg5B1 ASP 231 HA 0.03 -0.00 0.42 -0.75 4.63 4.33 3hg5B1 ASP 231 HB2 0.04 -0.03 0.05 -0.04 2.71 2.73 3hg5B1 ASP 231 HB3 0.14 0.11 0.01 -0.04 2.70 2.92 3hg5B1 ILE 232 H 0.11 0.03 0.17 -0.55 8.25 8.01 3hg5B1 ILE 232 HA 0.09 0.06 0.57 -0.75 4.18 4.15 3hg5B1 ILE 232 HB 0.18 0.14 0.12 -0.04 1.89 2.29 3hg5B1 ILE 232 HG12 0.05 0.11 0.02 -0.04 1.49 1.63 3hg5B1 ILE 232 HG13 0.11 -0.10 0.05 -0.04 1.21 1.22 3hg5B1 ILE 232 HG23 0.10 0.00 -0.06 -0.04 0.93 0.93 3hg5B1 ILE 232 HD13 0.05 0.08 -0.03 -0.04 0.88 0.94 3hg5B1 ASP 233 H 0.05 0.08 0.15 -0.55 8.40 8.14 3hg5B1 ASP 233 HA 0.04 0.22 0.39 -0.75 4.63 4.53 3hg5B1 ASP 233 HB2 0.02 -0.03 0.14 -0.04 2.71 2.79 3hg5B1 ASP 233 HB3 0.03 0.12 -0.05 -0.04 2.70 2.76 3hg5B1 ASP 234 H 0.02 0.22 0.04 -0.55 8.40 8.13 3hg5B1 ASP 234 HA 0.02 0.15 0.54 -0.75 4.63 4.58 3hg5B1 ASP 234 HB2 0.03 0.12 0.10 -0.04 2.71 2.92 3hg5B1 ASP 234 HB3 0.06 0.05 0.24 -0.04 2.70 3.01 3hg5B1 SER 235 H 0.05 0.58 -0.01 -0.55 8.46 8.53 3hg5B1 SER 235 HA 0.10 0.21 0.64 -0.75 4.49 4.69 3hg5B1 SER 235 HB2 0.08 0.03 0.11 -0.04 3.95 4.13 3hg5B1 SER 235 HB3 0.05 0.11 -0.38 -0.04 3.93 3.68 3hg5B1 TRP 236 H 0.28 0.30 0.15 -0.55 7.97 8.15 3hg5B1 TRP 236 HA -0.01 0.12 0.64 -0.75 4.62 4.61 3hg5B1 TRP 236 HB2 -0.01 0.00 0.17 -0.04 3.23 3.35 3hg5B1 TRP 236 HB3 0.00 0.02 0.17 -0.04 3.23 3.38 3hg5B1 TRP 236 HD1 0.00 0.02 -0.03 -0.04 7.22 7.17 3hg5B1 TRP 236 HE1 -0.00 0.07 -0.03 -0.04 10.20 10.19 3hg5B1 TRP 236 HE3 -0.03 -0.06 0.11 -0.04 7.59 7.57 3hg5B1 TRP 236 HZ2 -0.01 0.05 -0.00 -0.04 7.44 7.44 3hg5B1 TRP 236 HZ3 -0.04 0.04 -0.01 -0.04 7.13 7.08 3hg5B1 TRP 236 HH2 -0.02 0.06 -0.07 -0.04 7.19 7.12 3hg5B1 LYS 237 H 0.08 0.12 -0.03 -0.55 8.42 8.03 3hg5B1 LYS 237 HA -0.24 0.12 0.44 -0.75 4.32 3.88 3hg5B1 LYS 237 HB2 -0.01 0.05 0.09 -0.04 1.87 1.96 3hg5B1 LYS 237 HB3 0.00 -0.06 0.04 -0.04 1.79 1.73 3hg5B1 LYS 237 HG2 -0.02 0.02 -0.32 -0.04 1.46 1.10 3hg5B1 LYS 237 HG3 -0.05 0.03 -0.01 -0.04 1.46 1.39 3hg5B1 LYS 237 HD2 -0.00 0.01 -0.01 -0.04 1.69 1.64 3hg5B1 LYS 237 HD3 -0.00 -0.00 -0.06 -0.04 1.68 1.58 3hg5B1 LYS 237 HE2 -0.01 0.01 -0.06 -0.04 2.99 2.89 3hg5B1 LYS 237 HE3 -0.02 0.01 -0.03 -0.04 2.99 2.91 3hg5B1 SER 238 H 0.01 0.03 -0.44 -0.55 8.46 7.51 3hg5B1 SER 238 HA 0.04 0.09 0.33 -0.75 4.49 4.20 3hg5B1 SER 238 HB2 0.03 -0.06 0.04 -0.04 3.95 3.92 3hg5B1 SER 238 HB3 0.05 0.21 0.12 -0.04 3.93 4.27 3hg5B1 ILE 239 H -0.00 0.26 -0.12 -0.55 8.25 7.84 3hg5B1 ILE 239 HA 0.16 0.11 0.40 -0.75 4.18 4.09 3hg5B1 ILE 239 HB -0.03 0.03 0.17 -0.04 1.89 2.02 3hg5B1 ILE 239 HG12 0.12 0.17 0.16 -0.04 1.49 1.90 3hg5B1 ILE 239 HG13 0.19 -0.03 0.01 -0.04 1.21 1.34 3hg5B1 ILE 239 HG23 0.19 0.01 -0.14 -0.04 0.93 0.95 3hg5B1 ILE 239 HD13 -0.12 -0.01 -0.00 -0.04 0.88 0.71 3hg5B1 LYS 240 H -0.55 0.56 -0.08 -0.55 8.42 7.80 3hg5B1 LYS 240 HA -0.33 0.01 0.39 -0.75 4.32 3.63 3hg5B1 LYS 240 HB2 -0.53 0.12 0.16 -0.04 1.87 1.58 3hg5B1 LYS 240 HB3 -0.33 -0.02 -0.03 -0.04 1.79 1.37 3hg5B1 LYS 240 HG2 -0.80 -0.01 0.02 -0.04 1.46 0.62 3hg5B1 LYS 240 HG3 -2.39 0.04 0.04 -0.04 1.46 -0.90 3hg5B1 LYS 240 HD2 -0.32 0.00 -0.01 -0.04 1.69 1.32 3hg5B1 LYS 240 HD3 -0.39 0.01 -0.02 -0.04 1.68 1.24 3hg5B1 LYS 240 HE2 -1.51 -0.08 -0.21 -0.04 2.99 1.14 3hg5B1 LYS 240 HE3 -0.52 0.02 -0.03 -0.04 2.99 2.42 3hg5B1 SER 241 H -0.07 0.47 -0.22 -0.55 8.46 8.09 3hg5B1 SER 241 HA 0.00 0.01 0.35 -0.75 4.49 4.10 3hg5B1 SER 241 HB2 0.17 -0.04 0.06 -0.04 3.95 4.10 3hg5B1 SER 241 HB3 0.04 0.05 0.08 -0.04 3.93 4.06 3hg5B1 ILE 242 H 0.13 0.50 -0.18 -0.55 8.25 8.14 3hg5B1 ILE 242 HA -0.14 0.00 0.52 -0.75 4.18 3.81 3hg5B1 ILE 242 HB 0.29 0.10 0.18 -0.04 1.89 2.42 3hg5B1 ILE 242 HG12 0.45 -0.02 -0.01 -0.04 1.49 1.87 3hg5B1 ILE 242 HG13 0.33 0.02 0.05 -0.04 1.21 1.56 3hg5B1 ILE 242 HG23 0.08 0.02 -0.07 -0.04 0.93 0.91 3hg5B1 ILE 242 HD13 0.34 0.02 -0.03 -0.04 0.88 1.17 3hg5B1 LEU 243 H 0.06 0.59 -0.06 -0.55 8.37 8.42 3hg5B1 LEU 243 HA 0.08 0.08 0.47 -0.75 4.35 4.23 3hg5B1 LEU 243 HB2 0.03 0.07 0.13 -0.04 1.64 1.83 3hg5B1 LEU 243 HB3 0.14 -0.06 -0.04 -0.04 1.64 1.65 3hg5B1 LEU 243 HG 0.12 0.13 -0.02 -0.04 1.64 1.83 3hg5B1 LEU 243 HD13 -0.01 -0.03 -0.15 -0.04 0.93 0.70 3hg5B1 LEU 243 HD23 -0.35 -0.00 -0.09 -0.04 0.89 0.41 3hg5B1 ASP 244 H 0.03 0.65 -0.06 -0.55 8.40 8.47 3hg5B1 ASP 244 HA 0.10 0.01 0.35 -0.75 4.63 4.34 3hg5B1 ASP 244 HB2 -0.01 0.06 0.08 -0.04 2.71 2.80 3hg5B1 ASP 244 HB3 -0.01 -0.04 0.00 -0.04 2.70 2.61 3hg5B1 TRP 245 H -0.01 0.48 -0.25 -0.55 7.97 7.64 3hg5B1 TRP 245 HA -0.21 0.03 0.53 -0.75 4.62 4.21 3hg5B1 TRP 245 HB2 -1.01 0.03 0.13 -0.04 3.23 2.33 3hg5B1 TRP 245 HB3 -1.02 0.09 0.12 -0.04 3.23 2.38 3hg5B1 TRP 245 HD1 -0.24 -0.03 0.01 -0.04 7.22 6.92 3hg5B1 TRP 245 HE1 -0.63 0.00 -0.01 -0.04 10.20 9.52 3hg5B1 TRP 245 HE3 -0.19 0.10 -0.35 -0.04 7.59 7.11 3hg5B1 TRP 245 HZ2 -0.44 0.02 -0.02 -0.04 7.44 6.95 3hg5B1 TRP 245 HZ3 0.12 0.03 -0.11 -0.04 7.13 7.12 3hg5B1 TRP 245 HH2 0.53 0.00 -0.06 -0.04 7.19 7.62 3hg5B1 THR 246 H 0.17 0.44 -0.26 -0.55 8.28 8.08 3hg5B1 THR 246 HA 0.07 0.02 0.34 -0.75 4.39 4.07 3hg5B1 THR 246 HB 0.31 0.08 0.18 -0.04 4.32 4.85 3hg5B1 THR 246 HG23 0.20 -0.01 -0.11 -0.04 1.22 1.26 3hg5B1 SER 247 H 0.15 0.61 -0.03 -0.55 8.46 8.64 3hg5B1 SER 247 HA -0.23 0.03 0.46 -0.75 4.49 4.00 3hg5B1 SER 247 HB2 -0.34 -0.04 0.07 -0.04 3.95 3.61 3hg5B1 SER 247 HB3 -0.29 0.00 0.08 -0.04 3.93 3.68 3hg5B1 PHE 248 H -0.01 0.43 -0.32 -0.55 8.34 7.89 3hg5B1 PHE 248 HA -0.18 0.02 0.54 -0.75 4.62 4.24 3hg5B1 PHE 248 HB2 -0.17 0.03 0.16 -0.04 3.15 3.12 3hg5B1 PHE 248 HB3 -0.37 0.09 0.16 -0.04 3.06 2.89 3hg5B1 PHE 248 HD2 -0.27 0.02 -0.05 -0.04 7.28 6.94 3hg5B1 PHE 248 HE2 -0.11 -0.02 -0.00 -0.04 7.38 7.20 3hg5B1 PHE 248 HZ -0.07 -0.03 0.01 -0.04 7.32 7.18 3hg5B1 ASN 249 H -0.40 0.43 -0.34 -0.55 8.53 7.67 3hg5B1 ASN 249 HA -0.41 0.10 0.72 -0.75 4.76 4.42 3hg5B1 ASN 249 HB2 -1.18 0.20 0.12 -0.04 2.88 1.98 3hg5B1 ASN 249 HB3 -0.52 -0.11 0.18 -0.04 2.79 2.29 3hg5B1 ASN 249 HD21 -1.35 -0.11 0.01 -0.04 7.03 5.54 3hg5B1 ASN 249 HD22 -2.11 0.64 0.15 -0.04 7.74 6.38 3hg5B1 GLN 250 H -0.25 0.32 -0.39 -0.55 8.47 7.60 3hg5B1 GLN 250 HA -0.12 0.03 0.27 -0.75 4.36 3.79 3hg5B1 GLN 250 HB2 -0.09 -0.00 0.13 -0.04 2.15 2.16 3hg5B1 GLN 250 HB3 -0.16 0.10 0.20 -0.04 2.02 2.12 3hg5B1 GLN 250 HG2 -0.21 0.16 0.13 -0.04 2.40 2.43 3hg5B1 GLN 250 HG3 -0.16 -0.02 -0.09 -0.04 2.39 2.08 3hg5B1 GLN 250 HE21 -0.17 0.36 0.16 -0.04 6.97 7.28 3hg5B1 GLN 250 HE22 -0.17 -0.03 0.06 -0.04 7.69 7.50 3hg5B1 GLU 251 H -0.19 0.17 -0.15 -0.55 8.60 7.88 3hg5B1 GLU 251 HA -0.12 0.09 0.47 -0.75 4.29 3.98 3hg5B1 GLU 251 HB2 -0.16 0.00 0.05 -0.04 2.09 1.94 3hg5B1 GLU 251 HB3 -0.11 0.01 0.03 -0.04 1.99 1.88 3hg5B1 GLU 251 HG2 -0.13 0.02 0.06 -0.04 2.34 2.25 3hg5B1 GLU 251 HG3 -0.16 0.00 0.05 -0.04 2.34 2.19 3hg5B1 ARG 252 H -0.13 0.35 -0.30 -0.55 8.46 7.83 3hg5B1 ARG 252 HA -0.05 0.07 0.64 -0.75 4.34 4.26 3hg5B1 ARG 252 HB2 -0.05 0.24 0.19 -0.04 1.90 2.25 3hg5B1 ARG 252 HB3 0.05 -0.05 0.01 -0.04 1.80 1.77 3hg5B1 ARG 252 HG2 0.04 -0.02 0.03 -0.04 1.67 1.67 3hg5B1 ARG 252 HG3 -0.04 -0.05 0.02 -0.04 1.67 1.56 3hg5B1 ARG 252 HD2 0.21 0.01 0.05 -0.04 3.22 3.45 3hg5B1 ARG 252 HD3 0.36 0.00 0.04 -0.04 3.22 3.58 3hg5B1 ILE 253 H -0.12 0.23 -0.01 -0.55 8.25 7.81 3hg5B1 ILE 253 HA -0.28 0.18 0.66 -0.75 4.18 3.99 3hg5B1 ILE 253 HB -0.03 0.00 0.02 -0.04 1.89 1.84 3hg5B1 ILE 253 HG12 -0.09 0.09 -0.08 -0.04 1.49 1.37 3hg5B1 ILE 253 HG13 -0.00 0.10 -0.11 -0.04 1.21 1.16 3hg5B1 ILE 253 HG23 -0.37 -0.01 -0.10 -0.04 0.93 0.41 3hg5B1 ILE 253 HD13 0.22 -0.02 -0.07 -0.04 0.88 0.98 3hg5B1 VAL 254 H -0.04 0.50 0.16 -0.55 8.24 8.30 3hg5B1 VAL 254 HA 0.07 0.09 0.36 -0.75 4.13 3.89 3hg5B1 VAL 254 HB -0.01 0.01 0.16 -0.04 2.12 2.24 3hg5B1 VAL 254 HG13 0.10 0.00 -0.16 -0.04 0.97 0.87 3hg5B1 VAL 254 HG23 0.06 -0.03 0.09 -0.04 0.95 1.04 3hg5B1 ASP 255 H -0.01 0.07 -0.13 -0.55 8.40 7.78 3hg5B1 ASP 255 HA 0.03 0.20 0.34 -0.75 4.63 4.44 3hg5B1 ASP 255 HB2 -0.02 -0.02 0.02 -0.04 2.71 2.65 3hg5B1 ASP 255 HB3 -0.01 0.02 0.06 -0.04 2.70 2.73 3hg5B1 VAL 256 H 0.02 0.06 -0.37 -0.55 8.24 7.40 3hg5B1 VAL 256 HA 0.03 0.06 0.59 -0.75 4.13 4.06 3hg5B1 VAL 256 HB 0.08 0.01 -0.02 -0.04 2.12 2.15 3hg5B1 VAL 256 HG13 -0.00 -0.06 -0.05 -0.04 0.97 0.82 3hg5B1 VAL 256 HG23 0.09 -0.01 -0.04 -0.04 0.95 0.95 3hg5B1 ALA 257 H 0.10 0.18 -0.19 -0.55 8.40 7.95 3hg5B1 ALA 257 HA 0.01 0.24 0.66 -0.75 4.34 4.49 3hg5B1 ALA 257 HB3 0.16 -0.01 0.24 -0.04 1.41 1.76 3hg5B1 GLY 258 H -0.84 0.56 0.40 -0.55 8.43 8.01 3hg5B1 GLY 258 HA2 -0.26 0.43 0.60 -0.51 4.01 4.27 3hg5B1 GLY 258 HA3 -0.25 -0.01 0.41 -0.51 4.01 3.65 3hg5B1 PRO 259 HA 0.04 0.11 0.55 -0.51 4.44 4.64 3hg5B1 PRO 259 HB2 -0.03 -0.09 0.16 -0.04 2.28 2.28 3hg5B1 PRO 259 HB3 0.08 -0.03 0.19 -0.04 2.02 2.22 3hg5B1 PRO 259 HG2 0.04 -0.07 0.12 -0.04 2.03 2.07 3hg5B1 PRO 259 HG3 0.17 0.16 0.11 -0.04 2.03 2.42 3hg5B1 PRO 259 HD2 -0.08 0.03 0.28 -0.04 3.68 3.87 3hg5B1 PRO 259 HD3 0.05 0.22 0.31 -0.04 3.65 4.20 3hg5B1 GLY 260 H -0.07 0.54 0.38 -0.55 8.43 8.73 3hg5B1 GLY 260 HA2 0.04 0.08 0.42 -0.51 4.01 4.04 3hg5B1 GLY 260 HA3 -0.06 0.04 0.68 -0.51 4.01 4.16 3hg5B1 GLY 261 H -1.02 0.60 0.00 -0.55 8.43 7.47 3hg5B1 GLY 261 HA2 -0.16 0.13 0.68 -0.51 4.01 4.16 3hg5B1 GLY 261 HA3 0.05 0.00 0.34 -0.51 4.01 3.90 3hg5B1 TRP 262 H -0.60 0.31 0.23 -0.55 7.97 7.37 3hg5B1 TRP 262 HA -0.36 0.17 1.09 -0.75 4.62 4.77 3hg5B1 TRP 262 HB2 -0.28 -0.22 0.10 -0.04 3.23 2.78 3hg5B1 TRP 262 HB3 -0.25 0.29 0.16 -0.04 3.23 3.39 3hg5B1 TRP 262 HD1 0.01 -0.06 -0.00 -0.04 7.22 7.13 3hg5B1 TRP 262 HE1 0.00 0.33 -0.28 -0.04 10.20 10.20 3hg5B1 TRP 262 HE3 -0.09 0.02 0.09 -0.04 7.59 7.56 3hg5B1 TRP 262 HZ2 -0.01 0.16 -0.48 -0.04 7.44 7.07 3hg5B1 TRP 262 HZ3 -0.03 0.02 -0.22 -0.04 7.13 6.86 3hg5B1 TRP 262 HH2 -0.02 -0.03 -0.04 -0.04 7.19 7.06 3hg5B1 ASN 263 H -0.07 0.25 0.22 -0.55 8.53 8.39 3hg5B1 ASN 263 HA -0.54 0.03 0.77 -0.75 4.76 4.27 3hg5B1 ASN 263 HB2 0.04 0.15 0.13 -0.04 2.88 3.16 3hg5B1 ASN 263 HB3 0.12 -0.11 -0.03 -0.04 2.79 2.72 3hg5B1 ASN 263 HD21 0.16 0.49 0.06 -0.04 7.03 7.69 3hg5B1 ASN 263 HD22 0.13 0.07 0.08 -0.04 7.74 7.97 3hg5B1 ASP 264 H -0.01 0.67 0.28 -0.55 8.40 8.80 3hg5B1 ASP 264 HA -0.03 0.32 0.93 -0.75 4.63 5.10 3hg5B1 ASP 264 HB2 0.09 0.05 -0.20 -0.04 2.71 2.61 3hg5B1 ASP 264 HB3 0.15 -0.10 -0.45 -0.04 2.70 2.26 3hg5B1 PRO 265 HA 0.05 0.02 0.64 -0.51 4.44 4.63 3hg5B1 PRO 265 HB2 -0.61 -0.02 0.04 -0.04 2.28 1.65 3hg5B1 PRO 265 HB3 -0.33 0.02 0.02 -0.04 2.02 1.69 3hg5B1 PRO 265 HG2 -1.21 0.09 -0.06 -0.04 2.03 0.81 3hg5B1 PRO 265 HG3 -0.80 0.09 -0.04 -0.04 2.03 1.24 3hg5B1 PRO 265 HD2 -0.12 0.15 0.20 -0.04 3.68 3.87 3hg5B1 PRO 265 HD3 -0.18 0.42 -0.03 -0.04 3.65 3.81 3hg5B1 ASP 266 H 0.18 0.02 -0.41 -0.55 8.40 7.64 3hg5B1 ASP 266 HA 0.22 -0.04 0.18 -0.75 4.63 4.24 3hg5B1 ASP 266 HB2 0.19 0.09 -0.42 -0.04 2.71 2.53 3hg5B1 ASP 266 HB3 0.26 0.12 0.21 -0.04 2.70 3.25 3hg5B1 MET 267 H 0.18 -0.04 0.08 -0.55 8.47 8.15 3hg5B1 MET 267 HA 0.21 0.10 0.24 -0.75 4.52 4.31 3hg5B1 MET 267 HB2 0.07 -0.13 0.03 -0.04 2.15 2.08 3hg5B1 MET 267 HB3 0.01 0.17 -0.05 -0.04 2.03 2.12 3hg5B1 MET 267 HG2 0.06 0.14 -0.12 -0.04 2.63 2.68 3hg5B1 MET 267 HG3 0.11 -0.09 -0.01 -0.04 2.56 2.53 3hg5B1 MET 267 HE3 0.23 0.01 -0.01 -0.04 2.10 2.29 3hg5B1 LEU 268 H 0.03 0.40 0.07 -0.55 8.37 8.33 3hg5B1 LEU 268 HA -0.42 0.08 0.67 -0.75 4.35 3.93 3hg5B1 LEU 268 HB2 -0.06 -0.03 -0.09 -0.04 1.64 1.42 3hg5B1 LEU 268 HB3 -0.16 -0.11 -0.04 -0.04 1.64 1.30 3hg5B1 LEU 268 HG -0.03 0.05 -0.09 -0.04 1.64 1.53 3hg5B1 LEU 268 HD13 0.09 0.02 -0.14 -0.04 0.93 0.86 3hg5B1 LEU 268 HD23 -0.50 0.01 -0.10 -0.04 0.89 0.27 3hg5B1 VAL 269 H -0.25 0.13 0.09 -0.55 8.24 7.66 3hg5B1 VAL 269 HA -0.10 0.38 0.90 -0.75 4.13 4.55 3hg5B1 VAL 269 HB -0.06 -0.11 0.07 -0.04 2.12 1.97 3hg5B1 VAL 269 HG13 -0.05 0.07 -0.31 -0.04 0.97 0.64 3hg5B1 VAL 269 HG23 -0.10 0.01 -0.07 -0.04 0.95 0.75 3hg5B1 ILE 270 H -0.15 0.06 -0.08 -0.55 8.25 7.53 3hg5B1 ILE 270 HA -0.07 -0.06 0.49 -0.75 4.18 3.79 3hg5B1 ILE 270 HB -0.05 0.08 -0.00 -0.04 1.89 1.87 3hg5B1 ILE 270 HG12 -0.12 -0.06 0.06 -0.04 1.49 1.33 3hg5B1 ILE 270 HG13 -0.18 -0.14 0.05 -0.04 1.21 0.90 3hg5B1 ILE 270 HG23 0.04 0.01 -0.10 -0.04 0.93 0.83 3hg5B1 ILE 270 HD13 -0.12 0.04 -0.03 -0.04 0.88 0.72 3hg5B1 GLY 271 H -0.04 0.08 0.13 -0.55 8.43 8.06 3hg5B1 GLY 271 HA2 -0.02 -0.09 0.33 -0.51 4.01 3.71 3hg5B1 GLY 271 HA3 -0.03 0.20 0.57 -0.51 4.01 4.24 3hg5B1 ASN 272 H -0.16 0.12 -0.11 -0.55 8.53 7.83 3hg5B1 ASN 272 HA -0.80 0.25 0.86 -0.75 4.76 4.31 3hg5B1 ASN 272 HB2 -0.14 -0.07 0.22 -0.04 2.88 2.85 3hg5B1 ASN 272 HB3 -0.24 -0.01 0.20 -0.04 2.79 2.70 3hg5B1 ASN 272 HD21 -0.10 0.59 0.17 -0.04 7.03 7.65 3hg5B1 ASN 272 HD22 -0.10 0.05 0.08 -0.04 7.74 7.74 3hg5B1 PHE 273 H -0.03 0.00 0.21 -0.55 8.34 7.97 3hg5B1 PHE 273 HA -0.00 0.29 0.89 -0.75 4.62 5.04 3hg5B1 PHE 273 HB2 -0.03 0.01 0.03 -0.04 3.15 3.12 3hg5B1 PHE 273 HB3 -0.02 0.03 0.05 -0.04 3.06 3.08 3hg5B1 PHE 273 HD2 -0.04 -0.00 -0.00 -0.04 7.28 7.19 3hg5B1 PHE 273 HE2 -0.07 0.03 -0.00 -0.04 7.38 7.30 3hg5B1 PHE 273 HZ -0.07 0.03 0.01 -0.04 7.32 7.25 3hg5B1 GLY 274 H 0.07 -0.06 0.14 -0.55 8.43 8.03 3hg5B1 GLY 274 HA2 0.09 0.17 0.33 -0.51 4.01 4.08 3hg5B1 GLY 274 HA3 0.08 0.28 0.24 -0.51 4.01 4.10 3hg5B1 LEU 275 H 0.02 0.07 -0.14 -0.55 8.37 7.77 3hg5B1 LEU 275 HA 0.02 0.11 0.86 -0.75 4.35 4.59 3hg5B1 LEU 275 HB2 -0.03 -0.02 -0.09 -0.04 1.64 1.46 3hg5B1 LEU 275 HB3 -0.05 0.01 -0.14 -0.04 1.64 1.42 3hg5B1 LEU 275 HG 0.01 -0.08 -0.24 -0.04 1.64 1.28 3hg5B1 LEU 275 HD13 -0.06 0.04 -0.26 -0.04 0.93 0.61 3hg5B1 LEU 275 HD23 0.15 0.04 -0.41 -0.04 0.89 0.63 3hg5B1 SER 276 H -0.09 0.13 0.13 -0.55 8.46 8.09 3hg5B1 SER 276 HA 0.02 0.20 0.61 -0.75 4.49 4.57 3hg5B1 SER 276 HB2 -0.02 0.04 0.14 -0.04 3.95 4.07 3hg5B1 SER 276 HB3 -0.08 0.13 0.14 -0.04 3.93 4.07 3hg5B1 TRP 277 H 0.20 0.23 0.14 -0.55 7.97 7.99 3hg5B1 TRP 277 HA -0.06 0.08 0.37 -0.75 4.62 4.25 3hg5B1 TRP 277 HB2 -0.04 0.05 0.12 -0.04 3.23 3.32 3hg5B1 TRP 277 HB3 -0.05 -0.01 0.15 -0.04 3.23 3.27 3hg5B1 TRP 277 HD1 -0.04 -0.00 -0.07 -0.04 7.22 7.06 3hg5B1 TRP 277 HE1 -0.02 0.05 -0.03 -0.04 10.20 10.16 3hg5B1 TRP 277 HE3 -0.03 -0.06 -0.00 -0.04 7.59 7.45 3hg5B1 TRP 277 HZ2 -0.01 0.20 0.07 -0.04 7.44 7.66 3hg5B1 TRP 277 HZ3 -0.01 0.03 -0.13 -0.04 7.13 6.98 3hg5B1 TRP 277 HH2 -0.01 0.09 0.01 -0.04 7.19 7.24 3hg5B1 ASN 278 H -0.08 0.10 -0.20 -0.55 8.53 7.81 3hg5B1 ASN 278 HA -0.57 0.09 0.49 -0.75 4.76 4.01 3hg5B1 ASN 278 HB2 -0.20 -0.01 -0.02 -0.04 2.88 2.60 3hg5B1 ASN 278 HB3 -0.26 0.12 -0.26 -0.04 2.79 2.35 3hg5B1 ASN 278 HD21 0.11 0.04 -0.00 -0.04 7.03 7.14 3hg5B1 ASN 278 HD22 0.02 -0.04 0.01 -0.04 7.74 7.69 3hg5B1 GLN 279 H -0.32 0.04 -0.31 -0.55 8.47 7.33 3hg5B1 GLN 279 HA -0.50 0.28 0.56 -0.75 4.36 3.94 3hg5B1 GLN 279 HB2 -0.23 -0.04 0.12 -0.04 2.15 1.96 3hg5B1 GLN 279 HB3 -0.12 -0.03 0.05 -0.04 2.02 1.88 3hg5B1 GLN 279 HG2 -2.12 0.07 0.08 -0.04 2.40 0.39 3hg5B1 GLN 279 HG3 -0.87 0.04 -0.02 -0.04 2.39 1.50 3hg5B1 GLN 279 HE21 -0.34 0.03 0.04 -0.04 6.97 6.67 3hg5B1 GLN 279 HE22 -0.88 0.11 -0.01 -0.04 7.69 6.87 3hg5B1 GLN 280 H -0.23 0.54 -0.20 -0.55 8.47 8.03 3hg5B1 GLN 280 HA -0.17 -0.01 0.50 -0.75 4.36 3.92 3hg5B1 GLN 280 HB2 -0.26 0.19 0.11 -0.04 2.15 2.14 3hg5B1 GLN 280 HB3 -0.12 -0.03 -0.01 -0.04 2.02 1.82 3hg5B1 GLN 280 HG2 -0.06 -0.12 -0.05 -0.04 2.40 2.13 3hg5B1 GLN 280 HG3 -0.06 0.13 -0.22 -0.04 2.39 2.20 3hg5B1 GLN 280 HE21 0.12 -0.04 -0.12 -0.04 6.97 6.89 3hg5B1 GLN 280 HE22 0.05 0.29 -0.54 -0.04 7.69 7.45 3hg5B1 VAL 281 H -0.69 0.54 -0.09 -0.55 8.24 7.45 3hg5B1 VAL 281 HA -0.42 0.04 0.47 -0.75 4.13 3.46 3hg5B1 VAL 281 HB -0.58 0.08 0.26 -0.04 2.12 1.84 3hg5B1 VAL 281 HG13 -0.22 -0.01 -0.04 -0.04 0.97 0.66 3hg5B1 VAL 281 HG23 -1.28 0.03 0.10 -0.04 0.95 -0.24 3hg5B1 THR 282 H -0.26 0.48 -0.21 -0.55 8.28 7.74 3hg5B1 THR 282 HA -0.08 -0.02 0.29 -0.75 4.39 3.83 3hg5B1 THR 282 HB -0.00 0.08 0.17 -0.04 4.32 4.52 3hg5B1 THR 282 HG23 0.22 -0.02 -0.19 -0.04 1.22 1.18 3hg5B1 GLN 283 H -0.12 0.41 -0.20 -0.55 8.47 8.01 3hg5B1 GLN 283 HA -0.09 0.05 0.38 -0.75 4.36 3.93 3hg5B1 GLN 283 HB2 -0.27 -0.01 0.10 -0.04 2.15 1.93 3hg5B1 GLN 283 HB3 -0.33 -0.00 0.09 -0.04 2.02 1.73 3hg5B1 GLN 283 HG2 -1.43 0.06 -0.12 -0.04 2.40 0.87 3hg5B1 GLN 283 HG3 -1.66 0.03 0.02 -0.04 2.39 0.74 3hg5B1 GLN 283 HE21 -0.49 0.14 0.20 -0.04 6.97 6.78 3hg5B1 GLN 283 HE22 -1.53 0.12 -0.04 -0.04 7.69 6.20 3hg5B1 MET 284 H -0.16 0.50 -0.12 -0.55 8.47 8.15 3hg5B1 MET 284 HA -0.04 0.05 0.35 -0.75 4.52 4.13 3hg5B1 MET 284 HB2 -0.09 -0.03 0.05 -0.04 2.15 2.04 3hg5B1 MET 284 HB3 -0.08 0.02 0.07 -0.04 2.03 2.00 3hg5B1 MET 284 HG2 0.02 0.07 -0.11 -0.04 2.63 2.56 3hg5B1 MET 284 HG3 0.02 -0.01 -0.18 -0.04 2.56 2.34 3hg5B1 MET 284 HE3 0.12 0.06 -0.06 -0.04 2.10 2.17 3hg5B1 ALA 285 H -0.07 0.64 -0.09 -0.55 8.40 8.34 3hg5B1 ALA 285 HA -0.01 0.02 0.34 -0.75 4.34 3.94 3hg5B1 ALA 285 HB3 -0.05 -0.01 -0.02 -0.04 1.41 1.29 3hg5B1 LEU 286 H 0.04 0.57 -0.23 -0.55 8.37 8.19 3hg5B1 LEU 286 HA -0.16 -0.00 0.28 -0.75 4.35 3.71 3hg5B1 LEU 286 HB2 0.08 0.21 0.09 -0.04 1.64 1.98 3hg5B1 LEU 286 HB3 -0.22 -0.01 -0.08 -0.04 1.64 1.29 3hg5B1 LEU 286 HG -0.45 -0.04 -0.09 -0.04 1.64 1.01 3hg5B1 LEU 286 HD13 -1.47 -0.01 -0.10 -0.04 0.93 -0.69 3hg5B1 LEU 286 HD23 -0.21 -0.00 -0.16 -0.04 0.89 0.47 3hg5B1 TRP 287 H 0.50 0.60 -0.14 -0.55 7.97 8.38 3hg5B1 TRP 287 HA -0.07 0.03 0.47 -0.75 4.62 4.30 3hg5B1 TRP 287 HB2 -0.05 0.14 0.10 -0.04 3.23 3.38 3hg5B1 TRP 287 HB3 -0.06 0.04 -0.09 -0.04 3.23 3.08 3hg5B1 TRP 287 HD1 -0.03 0.11 -0.11 -0.04 7.22 7.15 3hg5B1 TRP 287 HE1 0.03 0.55 -0.18 -0.04 10.20 10.56 3hg5B1 TRP 287 HE3 -0.10 -0.02 -0.04 -0.04 7.59 7.39 3hg5B1 TRP 287 HZ2 0.04 0.18 -0.16 -0.04 7.44 7.46 3hg5B1 TRP 287 HZ3 -0.08 -0.07 -0.08 -0.04 7.13 6.87 3hg5B1 TRP 287 HH2 0.01 -0.07 -0.02 -0.04 7.19 7.07 3hg5B1 ALA 288 H 0.10 0.35 -0.41 -0.55 8.40 7.90 3hg5B1 ALA 288 HA -0.01 0.09 0.58 -0.75 4.34 4.25 3hg5B1 ALA 288 HB3 0.01 0.03 0.06 -0.04 1.41 1.47 3hg5B1 ILE 289 H -0.01 0.37 -0.06 -0.55 8.25 8.00 3hg5B1 ILE 289 HA 0.02 0.04 0.36 -0.75 4.18 3.85 3hg5B1 ILE 289 HB -0.06 0.11 0.08 -0.04 1.89 1.98 3hg5B1 ILE 289 HG12 -0.01 0.22 -0.05 -0.04 1.49 1.60 3hg5B1 ILE 289 HG13 -0.02 -0.13 -0.18 -0.04 1.21 0.85 3hg5B1 ILE 289 HG23 0.24 -0.02 -0.28 -0.04 0.93 0.84 3hg5B1 ILE 289 HD13 0.06 -0.03 -0.31 -0.04 0.88 0.56 3hg5B1 MET 290 H -0.07 0.42 -0.32 -0.55 8.47 7.95 3hg5B1 MET 290 HA 0.06 0.06 0.29 -0.75 4.52 4.18 3hg5B1 MET 290 HB2 -0.31 0.02 0.02 -0.04 2.15 1.84 3hg5B1 MET 290 HB3 -0.13 -0.01 0.04 -0.04 2.03 1.89 3hg5B1 MET 290 HG2 0.17 0.00 -0.12 -0.04 2.63 2.64 3hg5B1 MET 290 HG3 -0.18 0.06 -0.07 -0.04 2.56 2.34 3hg5B1 MET 290 HE3 -1.12 -0.01 -0.23 -0.04 2.10 0.70 3hg5B1 ALA 291 H -0.06 0.28 -0.75 -0.55 8.40 7.32 3hg5B1 ALA 291 HA -0.22 0.16 0.31 -0.75 4.34 3.84 3hg5B1 ALA 291 HB3 -0.02 0.03 -0.02 -0.04 1.41 1.35 3hg5B1 ALA 292 H -0.17 0.40 -0.04 -0.55 8.40 8.05 3hg5B1 ALA 292 HA -0.20 0.29 0.62 -0.75 4.34 4.29 3hg5B1 ALA 292 HB3 -0.28 -0.04 0.00 -0.04 1.41 1.05 3hg5B1 PRO 293 HA -0.44 0.17 0.47 -0.51 4.44 4.13 3hg5B1 PRO 293 HB2 -0.08 -0.16 -0.10 -0.04 2.28 1.91 3hg5B1 PRO 293 HB3 -0.57 -0.02 -0.01 -0.04 2.02 1.38 3hg5B1 PRO 293 HG2 -0.27 -0.12 -0.05 -0.04 2.03 1.55 3hg5B1 PRO 293 HG3 -0.51 0.06 0.03 -0.04 2.03 1.56 3hg5B1 PRO 293 HD2 -0.12 -0.04 0.29 -0.04 3.68 3.77 3hg5B1 PRO 293 HD3 -0.18 0.39 0.20 -0.04 3.65 4.01 3hg5B1 LEU 294 H -0.37 0.63 0.11 -0.55 8.37 8.20 3hg5B1 LEU 294 HA 0.09 0.09 0.71 -0.75 4.35 4.49 3hg5B1 LEU 294 HB2 -0.12 -0.00 0.18 -0.04 1.64 1.66 3hg5B1 LEU 294 HB3 0.15 -0.10 0.01 -0.04 1.64 1.66 3hg5B1 LEU 294 HG -0.12 0.23 -0.13 -0.04 1.64 1.59 3hg5B1 LEU 294 HD13 -0.04 -0.01 -0.08 -0.04 0.93 0.76 3hg5B1 LEU 294 HD23 0.16 -0.00 -0.29 -0.04 0.89 0.72 3hg5B1 PHE 295 H 0.17 0.27 -0.20 -0.55 8.34 8.03 3hg5B1 PHE 295 HA 0.13 0.24 0.69 -0.75 4.62 4.92 3hg5B1 PHE 295 HB2 0.06 -0.06 -0.08 -0.04 3.15 3.03 3hg5B1 PHE 295 HB3 0.02 -0.04 -0.24 -0.04 3.06 2.77 3hg5B1 PHE 295 HD2 0.09 -0.01 -0.36 -0.04 7.28 6.96 3hg5B1 PHE 295 HE2 0.01 0.03 -0.27 -0.04 7.38 7.11 3hg5B1 PHE 295 HZ 0.02 0.02 -0.25 -0.04 7.32 7.07 3hg5B1 MET 296 H 0.13 0.62 0.18 -0.55 8.47 8.85 3hg5B1 MET 296 HA -0.07 0.06 0.52 -0.75 4.52 4.29 3hg5B1 MET 296 HB2 -0.04 -0.03 0.10 -0.04 2.15 2.14 3hg5B1 MET 296 HB3 -0.14 -0.01 -0.09 -0.04 2.03 1.74 3hg5B1 MET 296 HG2 -0.15 -0.05 -0.06 -0.04 2.63 2.34 3hg5B1 MET 296 HG3 -0.20 0.13 0.03 -0.04 2.56 2.49 3hg5B1 MET 296 HE3 -0.66 0.02 -0.11 -0.04 2.10 1.31 3hg5B1 SER 297 H -0.14 0.77 0.22 -0.55 8.46 8.77 3hg5B1 SER 297 HA -0.65 0.24 0.66 -0.75 4.49 3.98 3hg5B1 SER 297 HB2 -0.16 0.00 0.03 -0.04 3.95 3.79 3hg5B1 SER 297 HB3 -0.12 -0.01 0.17 -0.04 3.93 3.93 3hg5B1 ASN 298 H 0.00 0.32 -0.02 -0.55 8.53 8.29 3hg5B1 ASN 298 HA -0.03 0.08 0.44 -0.75 4.76 4.49 3hg5B1 ASN 298 HB2 -0.02 -0.01 -0.06 -0.04 2.88 2.75 3hg5B1 ASN 298 HB3 -0.06 0.19 -0.29 -0.04 2.79 2.58 3hg5B1 ASN 298 HD21 -0.26 -0.00 -0.21 -0.04 7.03 6.51 3hg5B1 ASN 298 HD22 -0.08 0.30 -0.15 -0.04 7.74 7.76 3hg5B1 ASP 299 H 0.06 0.31 0.01 -0.55 8.40 8.23 3hg5B1 ASP 299 HA 0.39 0.17 0.92 -0.75 4.63 5.36 3hg5B1 ASP 299 HB2 0.15 0.05 0.01 -0.04 2.71 2.88 3hg5B1 ASP 299 HB3 0.17 0.13 0.18 -0.04 2.70 3.14 3hg5B1 LEU 300 H -0.04 0.23 -0.05 -0.55 8.37 7.97 3hg5B1 LEU 300 HA -0.02 0.12 0.31 -0.75 4.35 4.00 3hg5B1 LEU 300 HB2 -0.29 -0.01 -0.02 -0.04 1.64 1.28 3hg5B1 LEU 300 HB3 -0.10 0.07 -0.04 -0.04 1.64 1.53 3hg5B1 LEU 300 HG -0.57 -0.03 -0.10 -0.04 1.64 0.90 3hg5B1 LEU 300 HD13 -0.76 0.04 -0.13 -0.04 0.93 0.05 3hg5B1 LEU 300 HD23 -0.90 0.00 -0.20 -0.04 0.89 -0.25 3hg5B1 ARG 301 H -0.07 -0.00 -0.37 -0.55 8.46 7.46 3hg5B1 ARG 301 HA -0.15 0.15 0.56 -0.75 4.34 4.14 3hg5B1 ARG 301 HB2 -0.39 -0.01 -0.06 -0.04 1.90 1.40 3hg5B1 ARG 301 HB3 -0.44 0.02 0.02 -0.04 1.80 1.36 3hg5B1 ARG 301 HG2 -0.14 0.06 -0.07 -0.04 1.67 1.48 3hg5B1 ARG 301 HG3 -0.14 -0.11 -0.07 -0.04 1.67 1.31 3hg5B1 ARG 301 HD2 -0.09 0.01 -0.03 -0.04 3.22 3.07 3hg5B1 ARG 301 HD3 -0.12 0.00 -0.06 -0.04 3.22 3.01 3hg5B1 HIS 302 H 0.01 0.26 -0.43 -0.55 8.41 7.70 3hg5B1 HIS 302 HA 0.04 0.16 0.79 -0.75 4.63 4.86 3hg5B1 HIS 302 HB2 0.05 -0.03 0.16 -0.04 3.26 3.41 3hg5B1 HIS 302 HB3 0.04 -0.01 0.05 -0.04 3.20 3.24 3hg5B1 HIS 302 HD2 0.03 0.03 -0.03 -0.04 6.97 6.96 3hg5B1 HIS 302 HE1 0.04 -0.01 -0.08 -0.04 7.75 7.66 3hg5B1 ILE 303 H 0.08 0.31 -0.06 -0.55 8.25 8.02 3hg5B1 ILE 303 HA 0.04 0.15 0.87 -0.75 4.18 4.48 3hg5B1 ILE 303 HB 0.07 0.19 -0.20 -0.04 1.89 1.91 3hg5B1 ILE 303 HG12 0.16 0.02 -0.18 -0.04 1.49 1.45 3hg5B1 ILE 303 HG13 0.05 -0.07 0.12 -0.04 1.21 1.28 3hg5B1 ILE 303 HG23 0.22 0.02 -0.11 -0.04 0.93 1.01 3hg5B1 ILE 303 HD13 0.15 -0.01 -0.20 -0.04 0.88 0.77 3hg5B1 SER 304 H 0.03 0.11 0.15 -0.55 8.46 8.21 3hg5B1 SER 304 HA 0.02 0.19 0.40 -0.75 4.49 4.35 3hg5B1 SER 304 HB2 -0.01 0.03 0.17 -0.04 3.95 4.10 3hg5B1 SER 304 HB3 0.01 0.12 0.15 -0.04 3.93 4.17 3hg5B1 PRO 305 HA -0.01 0.18 0.53 -0.51 4.44 4.63 3hg5B1 PRO 305 HB2 -0.05 -0.00 0.02 -0.04 2.28 2.21 3hg5B1 PRO 305 HB3 -0.04 0.10 0.11 -0.04 2.02 2.15 3hg5B1 PRO 305 HG2 -0.03 0.05 0.10 -0.04 2.03 2.11 3hg5B1 PRO 305 HG3 -0.01 0.13 0.11 -0.04 2.03 2.22 3hg5B1 PRO 305 HD2 -0.02 0.03 0.24 -0.04 3.68 3.89 3hg5B1 PRO 305 HD3 0.00 0.21 0.24 -0.04 3.65 4.05 3hg5B1 GLN 306 H -0.05 0.09 -0.16 -0.55 8.47 7.81 3hg5B1 GLN 306 HA -0.11 0.15 0.45 -0.75 4.36 4.10 3hg5B1 GLN 306 HB2 -0.21 0.05 0.09 -0.04 2.15 2.04 3hg5B1 GLN 306 HB3 -0.11 -0.07 0.08 -0.04 2.02 1.88 3hg5B1 GLN 306 HG2 -0.58 -0.01 -0.15 -0.04 2.40 1.63 3hg5B1 GLN 306 HG3 -0.73 0.06 0.03 -0.04 2.39 1.71 3hg5B1 GLN 306 HE21 -0.84 -0.01 0.01 -0.04 6.97 6.09 3hg5B1 GLN 306 HE22 -1.13 0.06 0.01 -0.04 7.69 6.58 3hg5B1 ALA 307 H 0.06 0.04 -0.16 -0.55 8.40 7.80 3hg5B1 ALA 307 HA 0.23 0.03 0.40 -0.75 4.34 4.25 3hg5B1 ALA 307 HB3 0.10 0.02 0.02 -0.04 1.41 1.51 3hg5B1 LYS 308 H 0.11 0.50 -0.29 -0.55 8.42 8.19 3hg5B1 LYS 308 HA 0.32 0.04 0.33 -0.75 4.32 4.26 3hg5B1 LYS 308 HB2 0.13 0.05 -0.02 -0.04 1.87 1.99 3hg5B1 LYS 308 HB3 -0.01 0.03 0.10 -0.04 1.79 1.87 3hg5B1 LYS 308 HG2 -0.37 -0.00 -0.27 -0.04 1.46 0.78 3hg5B1 LYS 308 HG3 -0.56 0.01 -0.05 -0.04 1.46 0.82 3hg5B1 LYS 308 HD2 -0.09 -0.00 -0.03 -0.04 1.69 1.53 3hg5B1 LYS 308 HD3 -0.12 -0.06 -0.02 -0.04 1.68 1.43 3hg5B1 LYS 308 HE2 -0.34 -0.05 -0.06 -0.04 2.99 2.50 3hg5B1 LYS 308 HE3 -0.58 0.26 0.04 -0.04 2.99 2.66 3hg5B1 ALA 309 H 0.02 0.49 -0.18 -0.55 8.40 8.19 3hg5B1 ALA 309 HA -0.03 0.07 0.33 -0.75 4.34 3.95 3hg5B1 ALA 309 HB3 0.01 0.01 0.10 -0.04 1.41 1.49 3hg5B1 LEU 310 H 0.17 0.37 -0.26 -0.55 8.37 8.11 3hg5B1 LEU 310 HA 0.15 0.04 0.50 -0.75 4.35 4.28 3hg5B1 LEU 310 HB2 0.43 -0.01 0.08 -0.04 1.64 2.10 3hg5B1 LEU 310 HB3 0.23 0.05 0.13 -0.04 1.64 2.00 3hg5B1 LEU 310 HG 0.03 0.04 -0.23 -0.04 1.64 1.44 3hg5B1 LEU 310 HD13 -0.03 -0.00 0.02 -0.04 0.93 0.88 3hg5B1 LEU 310 HD23 -0.22 -0.01 -0.23 -0.04 0.89 0.39 3hg5B1 LEU 311 H 0.18 0.57 -0.05 -0.55 8.37 8.53 3hg5B1 LEU 311 HA 0.20 -0.01 0.38 -0.75 4.35 4.17 3hg5B1 LEU 311 HB2 0.47 0.11 0.06 -0.04 1.64 2.23 3hg5B1 LEU 311 HB3 0.42 0.00 -0.04 -0.04 1.64 1.98 3hg5B1 LEU 311 HG 0.13 -0.07 -0.03 -0.04 1.64 1.62 3hg5B1 LEU 311 HD13 0.08 0.00 -0.24 -0.04 0.93 0.74 3hg5B1 LEU 311 HD23 0.04 -0.03 -0.07 -0.04 0.89 0.80 3hg5B1 GLN 312 H 0.09 0.32 -0.53 -0.55 8.47 7.81 3hg5B1 GLN 312 HA 0.22 0.18 0.67 -0.75 4.36 4.67 3hg5B1 GLN 312 HB2 -0.13 0.02 0.00 -0.04 2.15 2.01 3hg5B1 GLN 312 HB3 -0.09 -0.06 0.11 -0.04 2.02 1.94 3hg5B1 GLN 312 HG2 -0.18 0.00 -0.12 -0.04 2.40 2.06 3hg5B1 GLN 312 HG3 -0.64 0.02 -0.11 -0.04 2.39 1.62 3hg5B1 GLN 312 HE21 -1.31 0.55 0.01 -0.04 6.97 6.18 3hg5B1 GLN 312 HE22 -2.88 -0.13 -0.20 -0.04 7.69 4.44 3hg5B1 ASP 313 H 0.10 0.38 -0.35 -0.55 8.40 7.98 3hg5B1 ASP 313 HA 0.04 -0.02 0.48 -0.75 4.63 4.37 3hg5B1 ASP 313 HB2 0.07 0.16 0.25 -0.04 2.71 3.15 3hg5B1 ASP 313 HB3 0.06 -0.02 0.20 -0.04 2.70 2.90 3hg5B1 LYS 314 H 0.02 0.15 0.28 -0.55 8.42 8.31 3hg5B1 LYS 314 HA 0.01 0.21 0.28 -0.75 4.32 4.06 3hg5B1 LYS 314 HB2 -0.00 0.06 0.08 -0.04 1.87 1.96 3hg5B1 LYS 314 HB3 -0.00 0.13 0.16 -0.04 1.79 2.04 3hg5B1 LYS 314 HG2 0.00 -0.06 0.13 -0.04 1.46 1.49 3hg5B1 LYS 314 HG3 0.00 -0.03 -0.12 -0.04 1.46 1.28 3hg5B1 LYS 314 HD2 -0.00 0.01 -0.03 -0.04 1.69 1.63 3hg5B1 LYS 314 HD3 -0.01 0.07 0.03 -0.04 1.68 1.73 3hg5B1 LYS 314 HE2 -0.00 -0.00 0.03 -0.04 2.99 2.97 3hg5B1 LYS 314 HE3 0.00 -0.04 -0.00 -0.04 2.99 2.91 3hg5B1 ASP 315 H 0.02 0.05 -0.10 -0.55 8.40 7.82 3hg5B1 ASP 315 HA 0.01 0.15 0.53 -0.75 4.63 4.56 3hg5B1 ASP 315 HB2 0.02 -0.03 0.04 -0.04 2.71 2.70 3hg5B1 ASP 315 HB3 0.02 0.04 -0.05 -0.04 2.70 2.67 3hg5B1 VAL 316 H 0.02 0.08 -0.22 -0.55 8.24 7.57 3hg5B1 VAL 316 HA 0.01 0.04 0.43 -0.75 4.13 3.86 3hg5B1 VAL 316 HB 0.03 0.18 0.04 -0.04 2.12 2.33 3hg5B1 VAL 316 HG13 0.02 -0.01 -0.17 -0.04 0.97 0.77 3hg5B1 VAL 316 HG23 0.02 -0.04 -0.07 -0.04 0.95 0.83 3hg5B1 ILE 317 H 0.01 0.61 -0.10 -0.55 8.25 8.23 3hg5B1 ILE 317 HA -0.03 0.03 0.38 -0.75 4.18 3.80 3hg5B1 ILE 317 HB -0.02 -0.00 0.02 -0.04 1.89 1.85 3hg5B1 ILE 317 HG12 -0.01 -0.06 -0.04 -0.04 1.49 1.34 3hg5B1 ILE 317 HG13 0.05 0.01 -0.06 -0.04 1.21 1.17 3hg5B1 ILE 317 HG23 -0.11 0.05 -0.10 -0.04 0.93 0.74 3hg5B1 ILE 317 HD13 0.08 0.09 -0.17 -0.04 0.88 0.84 3hg5B1 ALA 318 H -0.02 0.29 -0.48 -0.55 8.40 7.64 3hg5B1 ALA 318 HA -0.04 0.08 0.38 -0.75 4.34 4.01 3hg5B1 ALA 318 HB3 -0.01 0.01 0.09 -0.04 1.41 1.45 3hg5B1 ILE 319 H -0.02 0.34 -0.24 -0.55 8.25 7.78 3hg5B1 ILE 319 HA -0.03 -0.02 0.46 -0.75 4.18 3.84 3hg5B1 ILE 319 HB -0.01 0.12 0.16 -0.04 1.89 2.12 3hg5B1 ILE 319 HG12 -0.00 -0.04 -0.02 -0.04 1.49 1.38 3hg5B1 ILE 319 HG13 -0.00 0.12 0.04 -0.04 1.21 1.33 3hg5B1 ILE 319 HG23 -0.01 0.01 -0.24 -0.04 0.93 0.65 3hg5B1 ILE 319 HD13 0.02 -0.05 -0.08 -0.04 0.88 0.72 3hg5B1 ASN 320 H -0.04 0.39 -0.06 -0.55 8.53 8.27 3hg5B1 ASN 320 HA -0.10 0.15 0.46 -0.75 4.76 4.52 3hg5B1 ASN 320 HB2 -0.05 -0.14 0.10 -0.04 2.88 2.75 3hg5B1 ASN 320 HB3 -0.09 0.08 0.11 -0.04 2.79 2.85 3hg5B1 ASN 320 HD21 -0.19 0.46 0.02 -0.04 7.03 7.28 3hg5B1 ASN 320 HD22 -0.08 0.05 0.15 -0.04 7.74 7.82 3hg5B1 GLN 321 H -0.10 0.42 -0.38 -0.55 8.47 7.87 3hg5B1 GLN 321 HA -0.19 0.10 0.50 -0.75 4.36 4.02 3hg5B1 GLN 321 HB2 -0.08 0.03 0.08 -0.04 2.15 2.13 3hg5B1 GLN 321 HB3 -0.08 -0.11 0.14 -0.04 2.02 1.92 3hg5B1 GLN 321 HG2 -0.15 0.00 -0.05 -0.04 2.40 2.17 3hg5B1 GLN 321 HG3 -0.12 -0.06 -0.03 -0.04 2.39 2.14 3hg5B1 GLN 321 HE21 -0.27 0.51 -0.12 -0.04 6.97 7.05 3hg5B1 GLN 321 HE22 -0.26 -0.06 -0.24 -0.04 7.69 7.09 3hg5B1 ASP 322 H -0.08 0.47 -0.52 -0.55 8.40 7.71 3hg5B1 ASP 322 HA -0.03 0.01 0.43 -0.75 4.63 4.28 3hg5B1 ASP 322 HB2 -0.05 0.16 0.26 -0.04 2.71 3.04 3hg5B1 ASP 322 HB3 -0.04 0.05 0.20 -0.04 2.70 2.86 3hg5B1 PRO 323 HA 0.05 0.21 0.41 -0.51 4.44 4.61 3hg5B1 PRO 323 HB2 0.02 -0.01 0.02 -0.04 2.28 2.27 3hg5B1 PRO 323 HB3 0.02 0.05 0.14 -0.04 2.02 2.19 3hg5B1 PRO 323 HG2 -0.01 -0.11 0.13 -0.04 2.03 2.01 3hg5B1 PRO 323 HG3 -0.00 0.02 0.11 -0.04 2.03 2.11 3hg5B1 PRO 323 HD2 -0.02 -0.01 0.29 -0.04 3.68 3.89 3hg5B1 PRO 323 HD3 -0.01 0.25 0.25 -0.04 3.65 4.09 3hg5B1 LEU 324 H 0.00 -0.04 -0.15 -0.55 8.37 7.63 3hg5B1 LEU 324 HA 0.02 0.03 0.47 -0.75 4.35 4.12 3hg5B1 LEU 324 HB2 -0.04 -0.21 0.06 -0.04 1.64 1.40 3hg5B1 LEU 324 HB3 -0.01 0.10 -0.10 -0.04 1.64 1.58 3hg5B1 LEU 324 HG -0.05 -0.16 -0.06 -0.04 1.64 1.33 3hg5B1 LEU 324 HD13 -0.10 0.01 -0.29 -0.04 0.93 0.51 3hg5B1 LEU 324 HD23 -0.00 0.02 0.03 -0.04 0.89 0.89 3hg5B1 GLY 325 H 0.09 0.26 -0.25 -0.55 8.43 7.98 3hg5B1 GLY 325 HA2 0.38 0.11 0.24 -0.51 4.01 4.24 3hg5B1 GLY 325 HA3 0.41 0.08 0.31 -0.51 4.01 4.29 3hg5B1 LYS 326 H 0.09 0.03 -0.17 -0.55 8.42 7.82 3hg5B1 LYS 326 HA 0.11 0.22 0.80 -0.75 4.32 4.70 3hg5B1 LYS 326 HB2 0.03 -0.03 -0.11 -0.04 1.87 1.73 3hg5B1 LYS 326 HB3 0.02 0.06 0.07 -0.04 1.79 1.89 3hg5B1 LYS 326 HG2 0.10 0.08 -0.12 -0.04 1.46 1.48 3hg5B1 LYS 326 HG3 0.07 0.07 0.04 -0.04 1.46 1.59 3hg5B1 LYS 326 HD2 0.00 -0.06 -0.05 -0.04 1.69 1.54 3hg5B1 LYS 326 HD3 0.07 -0.09 -0.02 -0.04 1.68 1.60 3hg5B1 LYS 326 HE2 0.03 0.10 -0.00 -0.04 2.99 3.08 3hg5B1 LYS 326 HE3 0.03 -0.10 -0.01 -0.04 2.99 2.86 3hg5B1 GLN 327 H 0.15 0.23 0.12 -0.55 8.47 8.43 3hg5B1 GLN 327 HA 0.13 0.08 0.41 -0.75 4.36 4.22 3hg5B1 GLN 327 HB2 0.19 0.03 0.10 -0.04 2.15 2.44 3hg5B1 GLN 327 HB3 0.14 0.09 0.22 -0.04 2.02 2.44 3hg5B1 GLN 327 HG2 0.15 0.17 -0.07 -0.04 2.40 2.61 3hg5B1 GLN 327 HG3 0.11 -0.12 0.04 -0.04 2.39 2.38 3hg5B1 GLN 327 HE21 0.10 -0.16 -0.03 -0.04 6.97 6.84 3hg5B1 GLN 327 HE22 0.14 -0.03 -0.01 -0.04 7.69 7.75 3hg5B1 GLY 328 H 0.11 0.52 0.31 -0.55 8.43 8.82 3hg5B1 GLY 328 HA2 0.11 0.05 0.76 -0.51 4.01 4.42 3hg5B1 GLY 328 HA3 0.08 -0.02 0.45 -0.51 4.01 4.01 3hg5B1 TYR 329 H -0.25 0.48 0.39 -0.55 8.29 8.36 3hg5B1 TYR 329 HA -0.10 0.09 0.73 -0.75 4.56 4.53 3hg5B1 TYR 329 HB2 -0.16 -0.03 0.03 -0.04 3.06 2.86 3hg5B1 TYR 329 HB3 -0.04 0.16 -0.25 -0.04 2.98 2.81 3hg5B1 TYR 329 HD2 -0.03 0.17 -0.36 -0.04 7.15 6.89 3hg5B1 TYR 329 HE2 0.08 -0.00 -0.07 -0.04 6.85 6.81 3hg5B1 GLN 330 H -0.59 0.16 0.16 -0.55 8.47 7.65 3hg5B1 GLN 330 HA -1.03 0.06 0.93 -0.75 4.36 3.56 3hg5B1 GLN 330 HB2 -1.66 -0.04 0.10 -0.04 2.15 0.51 3hg5B1 GLN 330 HB3 -0.56 0.04 0.11 -0.04 2.02 1.57 3hg5B1 GLN 330 HG2 -0.40 0.07 -0.11 -0.04 2.40 1.92 3hg5B1 GLN 330 HG3 -0.95 -0.07 -0.03 -0.04 2.39 1.30 3hg5B1 GLN 330 HE21 0.02 -0.05 -0.06 -0.04 6.97 6.84 3hg5B1 GLN 330 HE22 0.12 -0.04 -0.04 -0.04 7.69 7.69 3hg5B1 LEU 331 H -0.18 0.66 0.55 -0.55 8.37 8.86 3hg5B1 LEU 331 HA 0.11 0.11 0.66 -0.75 4.35 4.47 3hg5B1 LEU 331 HB2 0.04 -0.04 0.01 -0.04 1.64 1.61 3hg5B1 LEU 331 HB3 -0.01 0.03 0.07 -0.04 1.64 1.70 3hg5B1 LEU 331 HG 0.02 -0.02 -0.22 -0.04 1.64 1.38 3hg5B1 LEU 331 HD13 0.10 0.01 0.04 -0.04 0.93 1.03 3hg5B1 LEU 331 HD23 0.01 -0.01 -0.11 -0.04 0.89 0.73 3hg5B1 ARG 332 H -0.06 0.40 0.33 -0.55 8.46 8.57 3hg5B1 ARG 332 HA -0.01 0.21 0.86 -0.75 4.34 4.65 3hg5B1 ARG 332 HB2 0.05 -0.10 -0.02 -0.04 1.90 1.79 3hg5B1 ARG 332 HB3 0.06 0.02 -0.01 -0.04 1.80 1.83 3hg5B1 ARG 332 HG2 0.02 0.14 -0.12 -0.04 1.67 1.67 3hg5B1 ARG 332 HG3 0.03 -0.07 -0.36 -0.04 1.67 1.23 3hg5B1 ARG 332 HD2 0.10 -0.03 -0.10 -0.04 3.22 3.15 3hg5B1 ARG 332 HD3 0.08 -0.00 -0.07 -0.04 3.22 3.20 3hg5B1 GLN 333 H 0.02 0.34 0.21 -0.55 8.47 8.49 3hg5B1 GLN 333 HA 0.07 0.29 0.74 -0.75 4.36 4.70 3hg5B1 GLN 333 HB2 -0.01 0.05 -0.12 -0.04 2.15 2.03 3hg5B1 GLN 333 HB3 0.01 -0.00 0.03 -0.04 2.02 2.01 3hg5B1 GLN 333 HG2 0.05 -0.08 -0.07 -0.04 2.40 2.25 3hg5B1 GLN 333 HG3 0.07 0.05 0.09 -0.04 2.39 2.56 3hg5B1 GLN 333 HE21 0.03 0.02 -0.04 -0.04 6.97 6.93 3hg5B1 GLN 333 HE22 0.02 -0.03 -0.06 -0.04 7.69 7.58 3hg5B1 GLY 334 H 0.11 0.40 0.20 -0.55 8.43 8.59 3hg5B1 GLY 334 HA2 0.07 -0.04 0.40 -0.51 4.01 3.94 3hg5B1 GLY 334 HA3 0.10 0.20 0.63 -0.51 4.01 4.43 3hg5B1 ASP 335 H 0.07 0.17 0.16 -0.55 8.40 8.25 3hg5B1 ASP 335 HA 0.05 0.03 0.34 -0.75 4.63 4.30 3hg5B1 ASP 335 HB2 0.16 -0.01 -0.06 -0.04 2.71 2.75 3hg5B1 ASP 335 HB3 0.37 0.15 0.09 -0.04 2.70 3.27 3hg5B1 ASN 336 H 0.01 0.03 -0.18 -0.55 8.53 7.85 3hg5B1 ASN 336 HA -0.03 0.02 0.20 -0.75 4.76 4.20 3hg5B1 ASN 336 HB2 -0.17 0.17 -0.19 -0.04 2.88 2.64 3hg5B1 ASN 336 HB3 -0.14 -0.18 0.06 -0.04 2.79 2.50 3hg5B1 ASN 336 HD21 -0.01 0.02 -0.05 -0.04 7.03 6.95 3hg5B1 ASN 336 HD22 -0.05 0.02 -0.08 -0.04 7.74 7.59 3hg5B1 PHE 337 H 0.12 0.34 -0.38 -0.55 8.34 7.87 3hg5B1 PHE 337 HA -0.02 0.30 0.97 -0.75 4.62 5.12 3hg5B1 PHE 337 HB2 0.01 0.15 0.02 -0.04 3.15 3.29 3hg5B1 PHE 337 HB3 -0.33 -0.02 -0.08 -0.04 3.06 2.59 3hg5B1 PHE 337 HD2 0.02 0.07 -0.01 -0.04 7.28 7.32 3hg5B1 PHE 337 HE2 0.09 -0.04 -0.05 -0.04 7.38 7.34 3hg5B1 PHE 337 HZ 0.11 -0.03 -0.14 -0.04 7.32 7.22 3hg5B1 GLU 338 H 0.16 0.55 0.30 -0.55 8.60 9.06 3hg5B1 GLU 338 HA 0.12 0.27 0.82 -0.75 4.29 4.74 3hg5B1 GLU 338 HB2 0.31 -0.09 0.05 -0.04 2.09 2.31 3hg5B1 GLU 338 HB3 0.47 0.07 0.02 -0.04 1.99 2.51 3hg5B1 GLU 338 HG2 0.16 0.08 -0.02 -0.04 2.34 2.53 3hg5B1 GLU 338 HG3 0.17 -0.10 -0.42 -0.04 2.34 1.95 3hg5B1 VAL 339 H 0.05 0.57 0.23 -0.55 8.24 8.53 3hg5B1 VAL 339 HA 0.09 0.37 1.10 -0.75 4.13 4.94 3hg5B1 VAL 339 HB 0.02 -0.12 0.16 -0.04 2.12 2.14 3hg5B1 VAL 339 HG13 0.03 0.01 -0.13 -0.04 0.97 0.85 3hg5B1 VAL 339 HG23 -0.11 -0.00 -0.18 -0.04 0.95 0.62 3hg5B1 TRP 340 H 0.37 0.71 0.34 -0.55 7.97 8.84 3hg5B1 TRP 340 HA -0.08 0.14 1.19 -0.75 4.62 5.11 3hg5B1 TRP 340 HB2 -0.03 -0.08 0.07 -0.04 3.23 3.15 3hg5B1 TRP 340 HB3 -0.07 0.14 0.03 -0.04 3.23 3.29 3hg5B1 TRP 340 HD1 -0.00 -0.09 -0.38 -0.04 7.22 6.71 3hg5B1 TRP 340 HE1 0.02 -0.04 -0.12 -0.04 10.20 10.02 3hg5B1 TRP 340 HE3 -0.03 0.09 -0.30 -0.04 7.59 7.31 3hg5B1 TRP 340 HZ2 0.01 -0.02 -0.09 -0.04 7.44 7.30 3hg5B1 TRP 340 HZ3 -0.03 0.12 -0.17 -0.04 7.13 7.01 3hg5B1 TRP 340 HH2 -0.02 0.04 -0.01 -0.04 7.19 7.15 3hg5B1 GLU 341 H -0.22 0.58 0.41 -0.55 8.60 8.82 3hg5B1 GLU 341 HA 0.07 0.22 0.81 -0.75 4.29 4.64 3hg5B1 GLU 341 HB2 0.17 0.04 0.18 -0.04 2.09 2.44 3hg5B1 GLU 341 HB3 -0.00 -0.04 -0.01 -0.04 1.99 1.89 3hg5B1 GLU 341 HG2 -0.43 -0.00 0.01 -0.04 2.34 1.87 3hg5B1 GLU 341 HG3 -0.20 0.09 -0.14 -0.04 2.34 2.04 3hg5B1 ARG 342 H 0.17 0.62 0.38 -0.55 8.46 9.08 3hg5B1 ARG 342 HA 0.02 0.21 0.82 -0.75 4.34 4.64 3hg5B1 ARG 342 HB2 0.04 -0.07 0.02 -0.04 1.90 1.85 3hg5B1 ARG 342 HB3 0.01 -0.16 0.11 -0.04 1.80 1.72 3hg5B1 ARG 342 HG2 -0.04 0.17 -0.18 -0.04 1.67 1.58 3hg5B1 ARG 342 HG3 0.04 0.04 0.04 -0.04 1.67 1.75 3hg5B1 ARG 342 HD2 0.01 0.11 0.14 -0.04 3.22 3.43 3hg5B1 ARG 342 HD3 -0.02 -0.20 -0.06 -0.04 3.22 2.90 3hg5B1 PRO 343 HA -1.64 0.06 0.81 -0.51 4.44 3.16 3hg5B1 PRO 343 HB2 -0.35 0.05 -0.01 -0.04 2.28 1.93 3hg5B1 PRO 343 HB3 -0.30 -0.05 0.08 -0.04 2.02 1.71 3hg5B1 PRO 343 HG2 0.01 0.10 0.04 -0.04 2.03 2.14 3hg5B1 PRO 343 HG3 0.20 -0.00 0.02 -0.04 2.03 2.21 3hg5B1 PRO 343 HD2 0.10 0.29 0.05 -0.04 3.68 4.07 3hg5B1 PRO 343 HD3 0.29 0.02 0.05 -0.04 3.65 3.97 3hg5B1 LEU 344 H -0.74 0.70 0.40 -0.55 8.37 8.19 3hg5B1 LEU 344 HA -0.17 0.17 0.85 -0.75 4.35 4.45 3hg5B1 LEU 344 HB2 -0.16 -0.03 -0.09 -0.04 1.64 1.33 3hg5B1 LEU 344 HB3 -0.10 -0.05 0.13 -0.04 1.64 1.57 3hg5B1 LEU 344 HG -0.17 0.02 -0.18 -0.04 1.64 1.26 3hg5B1 LEU 344 HD13 -0.02 -0.03 -0.22 -0.04 0.93 0.62 3hg5B1 LEU 344 HD23 -0.07 0.05 -0.09 -0.04 0.89 0.74 3hg5B1 SER 345 H -0.09 0.09 0.17 -0.55 8.46 8.09 3hg5B1 SER 345 HA -0.09 0.08 0.56 -0.75 4.49 4.28 3hg5B1 SER 345 HB2 -0.03 0.02 0.06 -0.04 3.95 3.96 3hg5B1 SER 345 HB3 -0.03 0.05 0.14 -0.04 3.93 4.04 3hg5B1 GLY 346 H -0.04 0.14 0.21 -0.55 8.43 8.20 3hg5B1 GLY 346 HA2 0.00 0.02 0.35 -0.51 4.01 3.88 3hg5B1 GLY 346 HA3 -0.00 0.09 0.44 -0.51 4.01 4.03 3hg5B1 LEU 347 H -0.08 0.12 -0.02 -0.55 8.37 7.85 3hg5B1 LEU 347 HA -0.01 0.06 0.29 -0.75 4.35 3.94 3hg5B1 LEU 347 HB2 0.14 0.12 0.07 -0.04 1.64 1.93 3hg5B1 LEU 347 HB3 0.27 0.01 0.15 -0.04 1.64 2.03 3hg5B1 LEU 347 HG 0.06 -0.14 -0.30 -0.04 1.64 1.22 3hg5B1 LEU 347 HD13 0.08 0.01 -0.04 -0.04 0.93 0.94 3hg5B1 LEU 347 HD23 0.10 0.01 0.02 -0.04 0.89 0.98 3hg5B1 ALA 348 H -0.11 0.20 -0.54 -0.55 8.40 7.41 3hg5B1 ALA 348 HA 0.23 0.16 0.97 -0.75 4.34 4.95 3hg5B1 ALA 348 HB3 0.02 0.01 0.04 -0.04 1.41 1.44 3hg5B1 TRP 349 H 0.32 0.51 0.39 -0.55 7.97 8.65 3hg5B1 TRP 349 HA 0.03 0.31 1.03 -0.75 4.62 5.24 3hg5B1 TRP 349 HB2 0.04 -0.07 0.01 -0.04 3.23 3.17 3hg5B1 TRP 349 HB3 0.02 -0.02 -0.13 -0.04 3.23 3.06 3hg5B1 TRP 349 HD1 -0.00 -0.04 -0.20 -0.04 7.22 6.94 3hg5B1 TRP 349 HE1 0.10 0.03 -0.12 -0.04 10.20 10.17 3hg5B1 TRP 349 HE3 0.05 -0.00 -0.42 -0.04 7.59 7.18 3hg5B1 TRP 349 HZ2 0.08 0.02 -0.07 -0.04 7.44 7.43 3hg5B1 TRP 349 HZ3 0.05 0.09 -0.15 -0.04 7.13 7.08 3hg5B1 TRP 349 HH2 0.05 0.00 -0.03 -0.04 7.19 7.17 3hg5B1 ALA 350 H 0.10 0.64 0.36 -0.55 8.40 8.95 3hg5B1 ALA 350 HA 0.09 0.30 1.08 -0.75 4.34 5.06 3hg5B1 ALA 350 HB3 0.04 0.01 0.07 -0.04 1.41 1.49 3hg5B1 VAL 351 H 0.07 0.68 0.34 -0.55 8.24 8.78 3hg5B1 VAL 351 HA 0.08 0.25 1.08 -0.75 4.13 4.79 3hg5B1 VAL 351 HB 0.03 -0.07 0.05 -0.04 2.12 2.08 3hg5B1 VAL 351 HG13 0.02 0.01 -0.15 -0.04 0.97 0.81 3hg5B1 VAL 351 HG23 0.06 -0.01 -0.24 -0.04 0.95 0.72 3hg5B1 ALA 352 H 0.10 0.72 0.27 -0.55 8.40 8.94 3hg5B1 ALA 352 HA 0.02 0.34 1.10 -0.75 4.34 5.04 3hg5B1 ALA 352 HB3 -0.01 -0.02 -0.07 -0.04 1.41 1.27 3hg5B1 MET 353 H 0.00 0.68 0.30 -0.55 8.47 8.91 3hg5B1 MET 353 HA -0.00 0.38 1.18 -0.75 4.52 5.33 3hg5B1 MET 353 HB2 -0.03 -0.08 0.13 -0.04 2.15 2.13 3hg5B1 MET 353 HB3 -0.19 0.03 -0.02 -0.04 2.03 1.81 3hg5B1 MET 353 HG2 -0.12 0.03 -0.08 -0.04 2.63 2.42 3hg5B1 MET 353 HG3 -0.01 -0.04 -0.33 -0.04 2.56 2.14 3hg5B1 MET 353 HE3 0.00 0.00 -0.13 -0.04 2.10 1.94 3hg5B1 ILE 354 H 0.08 0.65 0.31 -0.55 8.25 8.75 3hg5B1 ILE 354 HA 0.06 0.28 0.94 -0.75 4.18 4.70 3hg5B1 ILE 354 HB 0.15 -0.11 0.00 -0.04 1.89 1.89 3hg5B1 ILE 354 HG12 -0.03 0.02 -0.21 -0.04 1.49 1.23 3hg5B1 ILE 354 HG13 0.05 0.01 -0.19 -0.04 1.21 1.05 3hg5B1 ILE 354 HG23 0.16 0.01 -0.25 -0.04 0.93 0.81 3hg5B1 ILE 354 HD13 -0.10 -0.00 -0.14 -0.04 0.88 0.60 3hg5B1 ASN 355 H 0.07 0.62 0.18 -0.55 8.53 8.85 3hg5B1 ASN 355 HA -0.04 0.23 1.02 -0.75 4.76 5.22 3hg5B1 ASN 355 HB2 0.15 -0.02 -0.08 -0.04 2.88 2.89 3hg5B1 ASN 355 HB3 0.03 0.16 -0.00 -0.04 2.79 2.93 3hg5B1 ASN 355 HD21 -0.01 0.06 0.02 -0.04 7.03 7.06 3hg5B1 ASN 355 HD22 0.05 0.26 -0.26 -0.04 7.74 7.76 3hg5B1 ARG 356 H -0.08 0.91 0.23 -0.55 8.46 8.97 3hg5B1 ARG 356 HA 0.20 0.10 0.59 -0.75 4.34 4.47 3hg5B1 ARG 356 HB2 0.02 -0.01 -0.07 -0.04 1.90 1.81 3hg5B1 ARG 356 HB3 0.08 -0.05 0.07 -0.04 1.80 1.86 3hg5B1 ARG 356 HG2 0.14 -0.02 -0.36 -0.04 1.67 1.38 3hg5B1 ARG 356 HG3 0.10 -0.00 -0.21 -0.04 1.67 1.52 3hg5B1 ARG 356 HD2 0.31 0.02 -0.10 -0.04 3.22 3.41 3hg5B1 ARG 356 HD3 0.13 0.02 -0.13 -0.04 3.22 3.19 3hg5B1 GLN 357 H -0.11 0.18 -0.06 -0.55 8.47 7.94 3hg5B1 GLN 357 HA -0.01 0.05 0.73 -0.75 4.36 4.37 3hg5B1 GLN 357 HB2 -0.14 0.04 0.11 -0.04 2.15 2.12 3hg5B1 GLN 357 HB3 -0.10 0.07 0.15 -0.04 2.02 2.10 3hg5B1 GLN 357 HG2 -0.02 -0.03 -0.10 -0.04 2.40 2.20 3hg5B1 GLN 357 HG3 -0.03 -0.04 0.03 -0.04 2.39 2.31 3hg5B1 GLN 357 HE21 -0.00 -0.03 -0.03 -0.04 6.97 6.87 3hg5B1 GLN 357 HE22 -0.01 0.14 -0.07 -0.04 7.69 7.71 3hg5B1 GLU 358 H 0.04 0.15 0.12 -0.55 8.60 8.35 3hg5B1 GLU 358 HA 0.02 0.15 0.49 -0.75 4.29 4.19 3hg5B1 GLU 358 HB2 0.08 -0.01 0.15 -0.04 2.09 2.26 3hg5B1 GLU 358 HB3 0.08 -0.03 0.13 -0.04 1.99 2.13 3hg5B1 GLU 358 HG2 0.20 -0.00 -0.26 -0.04 2.34 2.24 3hg5B1 GLU 358 HG3 0.15 0.17 0.03 -0.04 2.34 2.66 3hg5B1 ILE 359 H 0.00 0.40 -0.37 -0.55 8.25 7.72 3hg5B1 ILE 359 HA 0.01 0.12 0.64 -0.75 4.18 4.19 3hg5B1 ILE 359 HB 0.01 0.00 -0.25 -0.04 1.89 1.62 3hg5B1 ILE 359 HG12 0.01 -0.07 0.08 -0.04 1.49 1.47 3hg5B1 ILE 359 HG13 0.01 0.05 0.14 -0.04 1.21 1.38 3hg5B1 ILE 359 HG23 0.01 -0.01 -0.17 -0.04 0.93 0.71 3hg5B1 ILE 359 HD13 0.01 -0.00 -0.00 -0.04 0.88 0.85 3hg5B1 GLY 360 H 0.01 0.07 0.13 -0.55 8.43 8.09 3hg5B1 GLY 360 HA2 0.01 -0.01 0.34 -0.51 4.01 3.84 3hg5B1 GLY 360 HA3 0.01 0.08 0.52 -0.51 4.01 4.11 3hg5B1 GLY 361 H 0.03 0.12 0.15 -0.55 8.43 8.17 3hg5B1 GLY 361 HA2 0.02 0.16 0.83 -0.51 4.01 4.50 3hg5B1 GLY 361 HA3 0.03 0.00 0.32 -0.51 4.01 3.85 3hg5B1 PRO 362 HA 0.09 0.20 0.31 -0.51 4.44 4.52 3hg5B1 PRO 362 HB2 0.09 0.01 -0.07 -0.04 2.28 2.27 3hg5B1 PRO 362 HB3 0.10 -0.02 -0.20 -0.04 2.02 1.87 3hg5B1 PRO 362 HG2 0.02 0.04 0.02 -0.04 2.03 2.07 3hg5B1 PRO 362 HG3 0.04 0.01 0.03 -0.04 2.03 2.06 3hg5B1 PRO 362 HD2 0.03 0.09 0.16 -0.04 3.68 3.92 3hg5B1 PRO 362 HD3 0.03 0.11 0.21 -0.04 3.65 3.95 3hg5B1 ARG 363 H 0.17 0.57 0.30 -0.55 8.46 8.95 3hg5B1 ARG 363 HA 0.19 0.12 0.95 -0.75 4.34 4.85 3hg5B1 ARG 363 HB2 0.13 0.05 0.16 -0.04 1.90 2.19 3hg5B1 ARG 363 HB3 0.52 0.05 0.01 -0.04 1.80 2.34 3hg5B1 ARG 363 HG2 0.21 0.01 0.08 -0.04 1.67 1.93 3hg5B1 ARG 363 HG3 0.11 0.02 0.05 -0.04 1.67 1.80 3hg5B1 ARG 363 HD2 -0.01 -0.05 0.03 -0.04 3.22 3.15 3hg5B1 ARG 363 HD3 -0.01 0.05 0.02 -0.04 3.22 3.25 3hg5B1 SER 364 H 0.16 0.11 0.17 -0.55 8.46 8.34 3hg5B1 SER 364 HA -0.38 0.25 0.84 -0.75 4.49 4.44 3hg5B1 SER 364 HB2 -0.35 0.04 0.06 -0.04 3.95 3.65 3hg5B1 SER 364 HB3 -0.08 -0.03 0.09 -0.04 3.93 3.86 3hg5B1 TYR 365 H -0.18 0.80 0.34 -0.55 8.29 8.70 3hg5B1 TYR 365 HA -0.37 0.10 0.65 -0.75 4.56 4.18 3hg5B1 TYR 365 HB2 -0.78 0.06 -0.22 -0.04 3.06 2.08 3hg5B1 TYR 365 HB3 -0.31 -0.06 -0.06 -0.04 2.98 2.51 3hg5B1 TYR 365 HD2 -0.96 0.00 -0.18 -0.04 7.15 5.97 3hg5B1 TYR 365 HE2 -0.18 -0.02 -0.16 -0.04 6.85 6.45 3hg5B1 THR 366 H -0.72 0.21 0.13 -0.55 8.28 7.35 3hg5B1 THR 366 HA -0.21 0.38 1.13 -0.75 4.39 4.93 3hg5B1 THR 366 HB -0.16 0.04 -0.02 -0.04 4.32 4.14 3hg5B1 THR 366 HG23 -0.16 -0.02 -0.17 -0.04 1.22 0.84 3hg5B1 ILE 367 H -0.15 0.69 0.26 -0.55 8.25 8.50 3hg5B1 ILE 367 HA -0.19 0.08 0.62 -0.75 4.18 3.94 3hg5B1 ILE 367 HB -0.00 0.04 -0.24 -0.04 1.89 1.65 3hg5B1 ILE 367 HG12 -0.06 0.17 -0.15 -0.04 1.49 1.41 3hg5B1 ILE 367 HG13 -0.07 -0.06 0.09 -0.04 1.21 1.13 3hg5B1 ILE 367 HG23 -0.02 -0.00 -0.19 -0.04 0.93 0.68 3hg5B1 ILE 367 HD13 0.06 -0.00 -0.12 -0.04 0.88 0.78 3hg5B1 ALA 368 H -0.12 0.15 0.11 -0.55 8.40 7.99 3hg5B1 ALA 368 HA -0.12 0.17 0.75 -0.75 4.34 4.38 3hg5B1 ALA 368 HB3 -0.17 0.03 0.09 -0.04 1.41 1.32 3hg5B1 VAL 369 H -0.11 0.64 0.26 -0.55 8.24 8.48 3hg5B1 VAL 369 HA -0.11 -0.00 0.26 -0.75 4.13 3.52 3hg5B1 VAL 369 HB -0.04 0.01 -0.08 -0.04 2.12 1.97 3hg5B1 VAL 369 HG13 -0.15 -0.04 -0.15 -0.04 0.97 0.60 3hg5B1 VAL 369 HG23 -0.00 0.13 -0.13 -0.04 0.95 0.91 3hg5B1 ALA 370 H -0.30 0.09 -0.29 -0.55 8.40 7.35 3hg5B1 ALA 370 HA -0.20 0.21 0.47 -0.75 4.34 4.06 3hg5B1 ALA 370 HB3 -0.84 0.04 0.04 -0.04 1.41 0.61 3hg5B1 SER 371 H -0.15 0.38 -0.38 -0.55 8.46 7.77 3hg5B1 SER 371 HA -0.07 0.08 0.50 -0.75 4.49 4.26 3hg5B1 SER 371 HB2 -0.08 0.16 0.05 -0.04 3.95 4.04 3hg5B1 SER 371 HB3 -0.05 -0.04 0.01 -0.04 3.93 3.81 3hg5B1 LEU 372 H -0.11 0.32 -0.48 -0.55 8.37 7.56 3hg5B1 LEU 372 HA -0.12 0.04 0.48 -0.75 4.35 4.00 3hg5B1 LEU 372 HB2 -0.12 0.27 0.02 -0.04 1.64 1.77 3hg5B1 LEU 372 HB3 -0.17 -0.03 -0.12 -0.04 1.64 1.27 3hg5B1 LEU 372 HG -0.06 -0.02 -0.11 -0.04 1.64 1.41 3hg5B1 LEU 372 HD13 -0.04 0.00 -0.23 -0.04 0.93 0.62 3hg5B1 LEU 372 HD23 -0.09 -0.01 -0.16 -0.04 0.89 0.59 3hg5B1 GLY 373 H -0.36 0.15 0.08 -0.55 8.43 7.75 3hg5B1 GLY 373 HA2 -1.46 0.08 0.25 -0.51 4.01 2.37 3hg5B1 GLY 373 HA3 -1.76 -0.01 0.26 -0.51 4.01 1.99 3hg5B1 LYS 374 H -0.15 0.13 -0.33 -0.55 8.42 7.51 3hg5B1 LYS 374 HA -0.02 0.06 0.18 -0.75 4.32 3.78 3hg5B1 LYS 374 HB2 0.03 0.12 -0.01 -0.04 1.87 1.97 3hg5B1 LYS 374 HB3 0.03 0.00 0.19 -0.04 1.79 1.97 3hg5B1 LYS 374 HG2 0.05 0.02 0.00 -0.04 1.46 1.49 3hg5B1 LYS 374 HG3 0.12 -0.09 -0.12 -0.04 1.46 1.33 3hg5B1 LYS 374 HD2 0.22 0.03 -0.09 -0.04 1.69 1.80 3hg5B1 LYS 374 HD3 0.09 -0.00 -0.02 -0.04 1.68 1.70 3hg5B1 LYS 374 HE2 0.31 -0.01 -0.08 -0.04 2.99 3.17 3hg5B1 LYS 374 HE3 0.11 0.03 -0.04 -0.04 2.99 3.05 3hg5B1 GLY 375 H -0.09 0.41 -0.48 -0.55 8.43 7.72 3hg5B1 GLY 375 HA2 0.26 0.14 0.27 -0.51 4.01 4.17 3hg5B1 GLY 375 HA3 0.24 -0.04 0.40 -0.51 4.01 4.09 3hg5B1 VAL 376 H -0.22 0.32 -0.62 -0.55 8.24 7.17 3hg5B1 VAL 376 HA -0.05 0.07 0.57 -0.75 4.13 3.97 3hg5B1 VAL 376 HB -0.14 0.18 0.12 -0.04 2.12 2.24 3hg5B1 VAL 376 HG13 0.23 -0.03 -0.10 -0.04 0.97 1.03 3hg5B1 VAL 376 HG23 0.04 0.02 -0.05 -0.04 0.95 0.93 3hg5B1 ALA 377 H -0.77 0.14 0.02 -0.55 8.40 7.25 3hg5B1 ALA 377 HA 0.11 0.09 0.57 -0.75 4.34 4.34 3hg5B1 ALA 377 HB3 -0.27 -0.01 -0.12 -0.04 1.41 0.97 3hg5B1 CYS 378 H 0.13 0.15 -0.01 -0.55 8.50 8.22 3hg5B1 CYS 378 HA 0.17 -0.04 -0.69 -0.75 4.58 3.27 3hg5B1 CYS 378 HB2 0.20 0.27 -0.13 -0.04 2.97 3.27 3hg5B1 CYS 378 HB3 0.19 -0.02 -0.21 -0.04 2.97 2.89 3hg5B1 ASN 379 H 0.06 0.43 -0.36 -0.55 8.53 8.11 3hg5B1 ASN 379 HA -0.13 0.03 0.79 -0.75 4.76 4.70 3hg5B1 ASN 379 HB2 -0.52 0.24 -0.05 -0.04 2.88 2.51 3hg5B1 ASN 379 HB3 -0.18 0.11 0.18 -0.04 2.79 2.85 3hg5B1 ASN 379 HD21 -0.35 -0.10 -0.03 -0.04 7.03 6.52 3hg5B1 ASN 379 HD22 -0.24 0.04 0.02 -0.04 7.74 7.52 3hg5B1 PRO 380 HA -0.03 0.03 0.43 -0.51 4.44 4.36 3hg5B1 PRO 380 HB2 0.04 -0.03 0.06 -0.04 2.28 2.30 3hg5B1 PRO 380 HB3 -0.03 -0.01 0.13 -0.04 2.02 2.06 3hg5B1 PRO 380 HG2 0.03 0.11 0.08 -0.04 2.03 2.22 3hg5B1 PRO 380 HG3 -0.00 -0.02 0.12 -0.04 2.03 2.08 3hg5B1 PRO 380 HD2 0.04 0.24 0.30 -0.04 3.68 4.22 3hg5B1 PRO 380 HD3 -0.02 0.07 0.29 -0.04 3.65 3.95 3hg5B1 ALA 381 H 0.11 0.38 -0.20 -0.55 8.40 8.14 3hg5B1 ALA 381 HA 0.21 0.24 0.59 -0.75 4.34 4.62 3hg5B1 ALA 381 HB3 0.20 0.00 -0.16 -0.04 1.41 1.41 3hg5B1 CYS 382 H 0.25 0.68 0.30 -0.55 8.50 9.18 3hg5B1 CYS 382 HA 0.22 0.22 0.55 -0.75 4.58 4.81 3hg5B1 CYS 382 HB2 0.15 -0.03 -0.18 -0.04 2.97 2.86 3hg5B1 CYS 382 HB3 0.15 -0.11 -0.08 -0.04 2.97 2.89 3hg5B1 PHE 383 H 0.23 0.64 0.25 -0.55 8.34 8.91 3hg5B1 PHE 383 HA -0.16 0.21 0.90 -0.75 4.62 4.82 3hg5B1 PHE 383 HB2 -0.42 -0.02 0.04 -0.04 3.15 2.70 3hg5B1 PHE 383 HB3 -0.13 0.00 0.15 -0.04 3.06 3.04 3hg5B1 PHE 383 HD2 -1.15 -0.01 -0.27 -0.04 7.28 5.80 3hg5B1 PHE 383 HE2 -0.19 -0.02 -0.06 -0.04 7.38 7.06 3hg5B1 PHE 383 HZ -0.09 0.00 -0.03 -0.04 7.32 7.17 3hg5B1 ILE 384 H -0.24 0.66 0.23 -0.55 8.25 8.35 3hg5B1 ILE 384 HA 0.03 0.34 0.97 -0.75 4.18 4.78 3hg5B1 ILE 384 HB -0.12 -0.01 0.04 -0.04 1.89 1.77 3hg5B1 ILE 384 HG12 -0.08 -0.00 -0.22 -0.04 1.49 1.15 3hg5B1 ILE 384 HG13 -0.04 0.04 -0.21 -0.04 1.21 0.95 3hg5B1 ILE 384 HG23 -0.12 -0.01 -0.22 -0.04 0.93 0.54 3hg5B1 ILE 384 HD13 -0.75 0.00 -0.15 -0.04 0.88 -0.05 3hg5B1 THR 385 H 0.08 0.74 0.39 -0.55 8.28 8.94 3hg5B1 THR 385 HA 0.08 -0.00 1.11 -0.75 4.39 4.83 3hg5B1 THR 385 HB 0.10 -0.00 0.14 -0.04 4.32 4.52 3hg5B1 THR 385 HG23 0.09 0.03 -0.17 -0.04 1.22 1.13 3hg5B1 GLN 386 H 0.04 0.64 0.36 -0.55 8.47 8.98 3hg5B1 GLN 386 HA 0.03 0.08 0.86 -0.75 4.36 4.57 3hg5B1 GLN 386 HB2 0.03 -0.05 0.12 -0.04 2.15 2.22 3hg5B1 GLN 386 HB3 0.04 -0.04 0.21 -0.04 2.02 2.20 3hg5B1 GLN 386 HG2 0.04 0.04 -0.15 -0.04 2.40 2.29 3hg5B1 GLN 386 HG3 0.03 -0.02 0.08 -0.04 2.39 2.44 3hg5B1 GLN 386 HE21 0.06 -0.10 -0.07 -0.04 6.97 6.81 3hg5B1 GLN 386 HE22 0.05 0.49 -0.11 -0.04 7.69 8.08 3hg5B1 LEU 387 H 0.03 0.82 0.49 -0.55 8.37 9.17 3hg5B1 LEU 387 HA 0.04 0.10 0.89 -0.75 4.35 4.63 3hg5B1 LEU 387 HB2 0.03 0.04 -0.02 -0.04 1.64 1.65 3hg5B1 LEU 387 HB3 0.03 -0.08 -0.07 -0.04 1.64 1.47 3hg5B1 LEU 387 HG 0.04 0.05 -0.20 -0.04 1.64 1.49 3hg5B1 LEU 387 HD13 0.03 -0.02 -0.23 -0.04 0.93 0.67 3hg5B1 LEU 387 HD23 0.04 0.00 -0.14 -0.04 0.89 0.75 3hg5B1 LEU 388 H 0.02 0.33 0.34 -0.55 8.37 8.52 3hg5B1 LEU 388 HA 0.05 0.16 0.55 -0.75 4.35 4.36 3hg5B1 LEU 388 HB2 -0.02 -0.10 0.08 -0.04 1.64 1.56 3hg5B1 LEU 388 HB3 -0.05 0.04 0.09 -0.04 1.64 1.67 3hg5B1 LEU 388 HG 0.01 -0.06 -0.42 -0.04 1.64 1.13 3hg5B1 LEU 388 HD13 -0.05 0.00 -0.04 -0.04 0.93 0.80 3hg5B1 LEU 388 HD23 0.03 0.05 0.01 -0.04 0.89 0.95 3hg5B1 PRO 389 HA 0.04 0.05 0.42 -0.51 4.44 4.44 3hg5B1 PRO 389 HB2 0.28 0.01 0.00 -0.04 2.28 2.53 3hg5B1 PRO 389 HB3 0.05 -0.02 0.15 -0.04 2.02 2.16 3hg5B1 PRO 389 HG2 0.10 0.03 0.07 -0.04 2.03 2.19 3hg5B1 PRO 389 HG3 0.08 -0.01 0.11 -0.04 2.03 2.17 3hg5B1 PRO 389 HD2 0.05 0.13 0.35 -0.04 3.68 4.17 3hg5B1 PRO 389 HD3 0.02 0.15 0.37 -0.04 3.65 4.15 3hg5B1 VAL 390 H 0.08 0.22 -0.11 -0.55 8.24 7.89 3hg5B1 VAL 390 HA 0.11 0.21 0.75 -0.75 4.13 4.44 3hg5B1 VAL 390 HB 0.06 0.04 0.05 -0.04 2.12 2.22 3hg5B1 VAL 390 HG13 0.10 -0.01 -0.16 -0.04 0.97 0.85 3hg5B1 VAL 390 HG23 0.06 -0.01 -0.19 -0.04 0.95 0.77 3hg5B1 LYS 391 H 0.06 0.10 0.08 -0.55 8.42 8.10 3hg5B1 LYS 391 HA 0.05 0.39 0.68 -0.75 4.32 4.69 3hg5B1 LYS 391 HB2 0.05 0.01 0.14 -0.04 1.87 2.02 3hg5B1 LYS 391 HB3 0.04 -0.07 0.15 -0.04 1.79 1.87 3hg5B1 LYS 391 HG2 0.05 -0.04 -0.19 -0.04 1.46 1.23 3hg5B1 LYS 391 HG3 0.05 0.10 0.08 -0.04 1.46 1.65 3hg5B1 LYS 391 HD2 0.03 -0.03 0.02 -0.04 1.69 1.67 3hg5B1 LYS 391 HD3 0.03 -0.03 -0.02 -0.04 1.68 1.61 3hg5B1 LYS 391 HE2 0.04 -0.03 -0.07 -0.04 2.99 2.89 3hg5B1 LYS 391 HE3 0.04 0.02 -0.05 -0.04 2.99 2.96 3hg5B1 ARG 392 H 0.05 0.64 0.28 -0.55 8.46 8.87 3hg5B1 ARG 392 HA 0.05 0.07 0.77 -0.75 4.34 4.48 3hg5B1 ARG 392 HB2 0.04 0.01 -0.40 -0.04 1.90 1.51 3hg5B1 ARG 392 HB3 0.05 -0.05 -0.02 -0.04 1.80 1.74 3hg5B1 ARG 392 HG2 0.04 0.15 -0.18 -0.04 1.67 1.63 3hg5B1 ARG 392 HG3 0.04 -0.01 0.04 -0.04 1.67 1.70 3hg5B1 ARG 392 HD2 0.03 -0.00 -0.04 -0.04 3.22 3.17 3hg5B1 ARG 392 HD3 0.04 -0.03 -0.09 -0.04 3.22 3.10 3hg5B1 LYS 393 H 0.07 0.15 0.15 -0.55 8.42 8.24 3hg5B1 LYS 393 HA 0.12 0.05 0.86 -0.75 4.32 4.60 3hg5B1 LYS 393 HB2 0.13 0.00 0.18 -0.04 1.87 2.14 3hg5B1 LYS 393 HB3 0.25 -0.01 0.06 -0.04 1.79 2.05 3hg5B1 LYS 393 HG2 0.28 0.03 0.04 -0.04 1.46 1.77 3hg5B1 LYS 393 HG3 0.12 -0.01 0.04 -0.04 1.46 1.56 3hg5B1 LYS 393 HD2 0.13 -0.00 0.03 -0.04 1.69 1.81 3hg5B1 LYS 393 HD3 0.25 -0.01 0.00 -0.04 1.68 1.88 3hg5B1 LYS 393 HE2 0.01 0.02 -0.02 -0.04 2.99 2.96 3hg5B1 LYS 393 HE3 0.04 0.01 -0.00 -0.04 2.99 2.99 3hg5B1 LEU 394 H -0.05 0.59 0.51 -0.55 8.37 8.86 3hg5B1 LEU 394 HA 0.01 0.14 0.84 -0.75 4.35 4.59 3hg5B1 LEU 394 HB2 0.06 0.10 0.06 -0.04 1.64 1.81 3hg5B1 LEU 394 HB3 0.18 -0.02 0.09 -0.04 1.64 1.84 3hg5B1 LEU 394 HG 0.02 -0.07 -0.05 -0.04 1.64 1.50 3hg5B1 LEU 394 HD13 -0.01 -0.01 -0.09 -0.04 0.93 0.78 3hg5B1 LEU 394 HD23 0.05 0.01 -0.11 -0.04 0.89 0.80 3hg5B1 GLY 395 H -0.65 0.14 0.17 -0.55 8.43 7.54 3hg5B1 GLY 395 HA2 -0.72 -0.03 0.27 -0.51 4.01 3.02 3hg5B1 GLY 395 HA3 -0.29 0.22 0.73 -0.51 4.01 4.15 3hg5B1 PHE 396 H -0.03 0.10 0.18 -0.55 8.34 8.03 3hg5B1 PHE 396 HA -0.02 0.19 0.79 -0.75 4.62 4.83 3hg5B1 PHE 396 HB2 -0.03 -0.04 0.13 -0.04 3.15 3.17 3hg5B1 PHE 396 HB3 0.03 0.06 -0.08 -0.04 3.06 3.02 3hg5B1 PHE 396 HD2 0.14 0.05 -0.08 -0.04 7.28 7.35 3hg5B1 PHE 396 HE2 0.20 -0.00 -0.07 -0.04 7.38 7.47 3hg5B1 PHE 396 HZ 0.12 0.00 -0.04 -0.04 7.32 7.36 3hg5B1 TYR 397 H 0.30 0.80 0.38 -0.55 8.29 9.21 3hg5B1 TYR 397 HA 0.05 0.08 0.90 -0.75 4.56 4.84 3hg5B1 TYR 397 HB2 0.02 0.01 0.10 -0.04 3.06 3.15 3hg5B1 TYR 397 HB3 0.01 0.05 -0.06 -0.04 2.98 2.94 3hg5B1 TYR 397 HD2 -0.08 0.02 -0.22 -0.04 7.15 6.83 3hg5B1 TYR 397 HE2 -0.10 0.01 -0.15 -0.04 6.85 6.57 3hg5B1 GLU 398 H 0.09 0.07 0.11 -0.55 8.60 8.33 3hg5B1 GLU 398 HA 0.16 0.26 0.72 -0.75 4.29 4.68 3hg5B1 GLU 398 HB2 0.06 -0.01 0.14 -0.04 2.09 2.25 3hg5B1 GLU 398 HB3 0.09 -0.15 0.02 -0.04 1.99 1.91 3hg5B1 GLU 398 HG2 0.13 -0.05 0.17 -0.04 2.34 2.56 3hg5B1 GLU 398 HG3 0.09 0.13 0.14 -0.04 2.34 2.66 3hg5B1 TRP 399 H 0.30 0.42 0.31 -0.55 7.97 8.45 3hg5B1 TRP 399 HA 0.02 0.20 0.27 -0.75 4.62 4.36 3hg5B1 TRP 399 HB2 0.02 0.13 0.25 -0.04 3.23 3.58 3hg5B1 TRP 399 HB3 0.01 -0.14 0.13 -0.04 3.23 3.19 3hg5B1 TRP 399 HD1 -0.02 0.10 -0.48 -0.04 7.22 6.78 3hg5B1 TRP 399 HE1 -0.05 0.14 0.04 -0.04 10.20 10.29 3hg5B1 TRP 399 HE3 -0.00 -0.05 -0.05 -0.04 7.59 7.44 3hg5B1 TRP 399 HZ2 -0.03 0.05 0.01 -0.04 7.44 7.42 3hg5B1 TRP 399 HZ3 -0.01 -0.05 -0.02 -0.04 7.13 7.01 3hg5B1 TRP 399 HH2 -0.01 -0.03 -0.02 -0.04 7.19 7.08 3hg5B1 THR 400 H 0.11 0.03 -0.20 -0.55 8.28 7.68 3hg5B1 THR 400 HA -0.32 0.15 0.58 -0.75 4.39 4.04 3hg5B1 THR 400 HB -0.06 -0.01 0.12 -0.04 4.32 4.33 3hg5B1 THR 400 HG23 0.06 0.00 -0.00 -0.04 1.22 1.24 3hg5B1 SER 401 H 0.01 0.45 -0.48 -0.55 8.46 7.89 3hg5B1 SER 401 HA -0.01 0.09 0.41 -0.75 4.49 4.23 3hg5B1 SER 401 HB2 0.08 0.01 0.13 -0.04 3.95 4.13 3hg5B1 SER 401 HB3 0.05 -0.13 0.08 -0.04 3.93 3.89 3hg5B1 ARG 402 H 0.04 0.17 0.17 -0.55 8.46 8.28 3hg5B1 ARG 402 HA -0.05 0.12 1.06 -0.75 4.34 4.72 3hg5B1 ARG 402 HB2 -0.02 -0.03 0.04 -0.04 1.90 1.85 3hg5B1 ARG 402 HB3 -0.06 0.04 -0.16 -0.04 1.80 1.58 3hg5B1 ARG 402 HG2 -0.09 -0.02 -0.15 -0.04 1.67 1.36 3hg5B1 ARG 402 HG3 -0.06 0.03 -0.16 -0.04 1.67 1.43 3hg5B1 ARG 402 HD2 -0.08 0.02 -0.09 -0.04 3.22 3.03 3hg5B1 ARG 402 HD3 -0.06 -0.01 -0.08 -0.04 3.22 3.02 3hg5B1 LEU 403 H -0.08 0.64 0.28 -0.55 8.37 8.66 3hg5B1 LEU 403 HA 0.01 0.13 0.83 -0.75 4.35 4.56 3hg5B1 LEU 403 HB2 -0.42 0.01 -0.02 -0.04 1.64 1.17 3hg5B1 LEU 403 HB3 -0.15 0.05 0.09 -0.04 1.64 1.59 3hg5B1 LEU 403 HG -0.09 0.01 -0.43 -0.04 1.64 1.09 3hg5B1 LEU 403 HD13 -0.26 0.00 -0.10 -0.04 0.93 0.52 3hg5B1 LEU 403 HD23 -0.11 -0.01 -0.16 -0.04 0.89 0.57 3hg5B1 ARG 404 H 0.04 0.24 0.15 -0.55 8.46 8.34 3hg5B1 ARG 404 HA -0.08 0.20 1.03 -0.75 4.34 4.73 3hg5B1 ARG 404 HB2 0.02 0.00 0.10 -0.04 1.90 1.99 3hg5B1 ARG 404 HB3 -0.04 0.01 -0.04 -0.04 1.80 1.68 3hg5B1 ARG 404 HG2 -0.07 -0.01 -0.13 -0.04 1.67 1.42 3hg5B1 ARG 404 HG3 -0.01 -0.02 -0.38 -0.04 1.67 1.22 3hg5B1 ARG 404 HD2 0.01 0.02 -0.03 -0.04 3.22 3.18 3hg5B1 ARG 404 HD3 -0.01 -0.01 -0.06 -0.04 3.22 3.10 3hg5B1 SER 405 H -0.10 0.76 0.36 -0.55 8.46 8.93 3hg5B1 SER 405 HA 0.03 0.16 0.85 -0.75 4.49 4.78 3hg5B1 SER 405 HB2 0.00 -0.01 -0.30 -0.04 3.95 3.59 3hg5B1 SER 405 HB3 0.01 0.01 -0.08 -0.04 3.93 3.83 3hg5B1 HIS 406 H 0.13 0.25 0.17 -0.55 8.41 8.42 3hg5B1 HIS 406 HA 0.09 0.33 0.77 -0.75 4.63 5.06 3hg5B1 HIS 406 HB2 0.05 -0.02 0.01 -0.04 3.26 3.26 3hg5B1 HIS 406 HB3 0.06 -0.02 -0.19 -0.04 3.20 3.00 3hg5B1 HIS 406 HD2 0.06 0.02 -0.32 -0.04 6.97 6.68 3hg5B1 HIS 406 HE1 0.02 0.01 -0.13 -0.04 7.75 7.61 3hg5B1 ILE 407 H 0.19 0.59 0.18 -0.55 8.25 8.67 3hg5B1 ILE 407 HA 0.09 0.13 0.93 -0.75 4.18 4.57 3hg5B1 ILE 407 HB 0.22 0.01 -0.05 -0.04 1.89 2.03 3hg5B1 ILE 407 HG12 0.05 0.01 -0.19 -0.04 1.49 1.31 3hg5B1 ILE 407 HG13 0.08 -0.18 -0.79 -0.04 1.21 0.28 3hg5B1 ILE 407 HG23 0.06 0.04 -0.24 -0.04 0.93 0.75 3hg5B1 ILE 407 HD13 0.03 0.02 -0.27 -0.04 0.88 0.61 3hg5B1 ASN 408 H 0.04 0.11 0.07 -0.55 8.53 8.21 3hg5B1 ASN 408 HA 0.04 0.08 0.41 -0.75 4.76 4.54 3hg5B1 ASN 408 HB2 -0.02 -0.09 0.06 -0.04 2.88 2.79 3hg5B1 ASN 408 HB3 -0.01 0.11 0.02 -0.04 2.79 2.86 3hg5B1 ASN 408 HD21 0.08 0.03 0.01 -0.04 7.03 7.10 3hg5B1 ASN 408 HD22 0.05 -0.05 0.02 -0.04 7.74 7.73 3hg5B1 PRO 409 HA -0.03 0.14 0.49 -0.51 4.44 4.53 3hg5B1 PRO 409 HB2 -0.05 -0.11 -0.01 -0.04 2.28 2.06 3hg5B1 PRO 409 HB3 -0.03 0.18 0.11 -0.04 2.02 2.24 3hg5B1 PRO 409 HG2 -0.01 0.11 -0.18 -0.04 2.03 1.91 3hg5B1 PRO 409 HG3 -0.00 0.24 -0.15 -0.04 2.03 2.08 3hg5B1 PRO 409 HD2 0.00 -0.01 0.07 -0.04 3.68 3.70 3hg5B1 PRO 409 HD3 0.03 0.16 -0.29 -0.04 3.65 3.50 3hg5B1 THR 410 H -0.03 0.56 0.23 -0.55 8.28 8.48 3hg5B1 THR 410 HA -0.11 0.09 0.35 -0.75 4.39 3.97 3hg5B1 THR 410 HB -1.73 -0.10 0.10 -0.04 4.32 2.55 3hg5B1 THR 410 HG23 -0.24 -0.01 -0.21 -0.04 1.22 0.72 3hg5B1 GLY 411 H -0.11 0.55 -0.73 -0.55 8.43 7.59 3hg5B1 GLY 411 HA2 -0.22 0.19 0.64 -0.51 4.01 4.11 3hg5B1 GLY 411 HA3 -0.12 -0.07 0.25 -0.51 4.01 3.56 3hg5B1 THR 412 H -0.12 0.19 0.16 -0.55 8.28 7.96 3hg5B1 THR 412 HA -0.01 0.38 0.90 -0.75 4.39 4.90 3hg5B1 THR 412 HB -0.08 -0.06 -0.16 -0.04 4.32 3.97 3hg5B1 THR 412 HG23 -0.04 -0.01 -0.39 -0.04 1.22 0.74 3hg5B1 VAL 413 H 0.00 0.62 0.28 -0.55 8.24 8.60 3hg5B1 VAL 413 HA 0.00 0.30 0.94 -0.75 4.13 4.61 3hg5B1 VAL 413 HB 0.01 -0.05 0.17 -0.04 2.12 2.21 3hg5B1 VAL 413 HG13 0.02 0.02 -0.06 -0.04 0.97 0.91 3hg5B1 VAL 413 HG23 0.04 -0.01 0.05 -0.04 0.95 0.99 3hg5B1 LEU 414 H 0.00 0.38 0.25 -0.55 8.37 8.45 3hg5B1 LEU 414 HA 0.01 0.37 1.17 -0.75 4.35 5.15 3hg5B1 LEU 414 HB2 -0.01 -0.02 -0.04 -0.04 1.64 1.53 3hg5B1 LEU 414 HB3 0.00 -0.14 0.15 -0.04 1.64 1.61 3hg5B1 LEU 414 HG 0.02 0.02 -0.29 -0.04 1.64 1.36 3hg5B1 LEU 414 HD13 0.01 0.06 -0.14 -0.04 0.93 0.81 3hg5B1 LEU 414 HD23 0.01 -0.01 -0.09 -0.04 0.89 0.76 3hg5B1 LEU 415 H 0.02 0.80 0.42 -0.55 8.37 9.07 3hg5B1 LEU 415 HA 0.02 0.17 1.11 -0.75 4.35 4.90 3hg5B1 LEU 415 HB2 0.01 -0.04 0.00 -0.04 1.64 1.57 3hg5B1 LEU 415 HB3 -0.01 0.02 -0.08 -0.04 1.64 1.53 3hg5B1 LEU 415 HG 0.00 0.00 -0.28 -0.04 1.64 1.33 3hg5B1 LEU 415 HD13 -0.05 -0.01 -0.16 -0.04 0.93 0.67 3hg5B1 LEU 415 HD23 -0.00 -0.00 -0.16 -0.04 0.89 0.69 3hg5B1 GLN 416 H 0.05 0.73 0.39 -0.55 8.47 9.09 3hg5B1 GLN 416 HA 0.08 0.31 1.14 -0.75 4.36 5.14 3hg5B1 GLN 416 HB2 0.05 -0.04 0.03 -0.04 2.15 2.15 3hg5B1 GLN 416 HB3 0.07 -0.07 0.13 -0.04 2.02 2.10 3hg5B1 GLN 416 HG2 0.08 0.13 0.02 -0.04 2.40 2.58 3hg5B1 GLN 416 HG3 0.04 0.01 -0.03 -0.04 2.39 2.37 3hg5B1 GLN 416 HE21 0.02 -0.02 -0.07 -0.04 6.97 6.86 3hg5B1 GLN 416 HE22 0.02 0.05 -0.09 -0.04 7.69 7.62 3hg5B1 LEU 417 H 0.15 0.94 0.36 -0.55 8.37 9.27 3hg5B1 LEU 417 HA 0.10 0.16 0.85 -0.75 4.35 4.71 3hg5B1 LEU 417 HB2 0.21 0.02 0.12 -0.04 1.64 1.96 3hg5B1 LEU 417 HB3 0.15 -0.01 -0.12 -0.04 1.64 1.62 3hg5B1 LEU 417 HG -0.00 0.00 -0.20 -0.04 1.64 1.40 3hg5B1 LEU 417 HD13 0.01 -0.00 -0.38 -0.04 0.93 0.52 3hg5B1 LEU 417 HD23 -0.02 0.00 -0.22 -0.04 0.89 0.62 3hg5B1 GLU 418 H 0.16 0.58 0.23 -0.55 8.60 9.02 3hg5B1 GLU 418 HA 0.14 0.19 0.99 -0.75 4.29 4.85 3hg5B1 GLU 418 HB2 0.14 -0.06 0.21 -0.04 2.09 2.35 3hg5B1 GLU 418 HB3 0.09 0.07 -0.00 -0.04 1.99 2.11 3hg5B1 GLU 418 HG2 0.10 -0.03 -0.22 -0.04 2.34 2.14 3hg5B1 GLU 418 HG3 0.05 -0.04 -0.03 -0.04 2.34 2.27 3hg5B1 ASN 419 H 0.18 0.32 0.13 -0.55 8.53 8.61 3hg5B1 ASN 419 HA 0.17 0.04 0.70 -0.75 4.76 4.92 3hg5B1 ASN 419 HB2 0.23 0.09 0.25 -0.04 2.88 3.40 3hg5B1 ASN 419 HB3 0.16 0.02 0.19 -0.04 2.79 3.12 3hg5B1 ASN 419 HD21 0.07 0.53 0.12 -0.04 7.03 7.70 3hg5B1 ASN 419 HD22 0.12 -0.39 0.21 -0.04 7.74 7.65 3hg5B1 THR 420 H 0.17 0.55 0.22 -0.55 8.28 8.67 3hg5B1 THR 420 HA 0.13 0.18 0.91 -0.75 4.39 4.85 3hg5B1 THR 420 HB 0.25 -0.25 0.03 -0.04 4.32 4.31 3hg5B1 THR 420 HG23 0.22 0.06 -0.23 -0.04 1.22 1.23 3hg5B1 MET 421 H 0.09 0.10 0.13 -0.55 8.47 8.25 3hg5B1 MET 421 HA 0.05 0.19 0.74 -0.75 4.52 4.74 3hg5B1 MET 421 HB2 0.04 0.02 0.09 -0.04 2.15 2.26 3hg5B1 MET 421 HB3 0.03 -0.03 -0.00 -0.04 2.03 1.99 3hg5B1 MET 421 HG2 0.01 -0.03 0.02 -0.04 2.63 2.59 3hg5B1 MET 421 HG3 0.02 0.05 0.13 -0.04 2.56 2.71 3hg5B1 MET 421 HE3 0.02 0.01 -0.01 -0.04 2.10 2.08 3hg5B1 GLN 422 H 0.10 -0.04 -0.12 -0.55 8.47 7.85 3hg5B1 GLN 422 HA -0.06 0.17 0.27 -0.75 4.36 3.99 3hg5B1 GLN 422 HB2 -0.01 0.01 -0.01 -0.04 2.15 2.11 3hg5B1 GLN 422 HB3 -0.14 0.04 0.01 -0.04 2.02 1.90 3hg5B1 GLN 422 HG2 0.03 0.05 -0.02 -0.04 2.40 2.42 3hg5B1 GLN 422 HG3 0.06 -0.12 0.02 -0.04 2.39 2.31 3hg5B1 GLN 422 HE21 0.11 0.03 -0.01 -0.04 6.97 7.05 3hg5B1 GLN 422 HE22 0.08 0.01 -0.01 -0.04 7.69 7.72