============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 63 rings ring int. center anis. iso. PHE 8 1.000 6.082 6.978 11.413 -99.200 -91.000 HIS 12 0.900 14.812 6.830 10.602 -99.200 -91.000 PHE 15 1.000 9.583 21.147 9.194 -99.200 -91.000 TYR 21 0.840 2.591 10.244 8.952 -99.200 -91.000 PHE 22 1.000 0.452 18.353 10.688 -99.200 -91.000 HIS 41 0.900 -19.569 38.821 5.514 -99.200 -91.000 HIS 46 0.900 -12.989 47.647 15.490 -99.200 -91.000 PHE 48 1.000 -7.891 38.208 18.980 -99.200 -91.000 TYR 52 0.840 -14.693 35.436 20.915 -99.200 -91.000 HIS 56 0.900 -17.253 32.727 20.258 -99.200 -91.000 TYR 68 0.840 -16.210 35.162 0.333 -99.200 -91.000 PHE 71 1.000 -9.800 42.292 5.202 -99.200 -91.000 TRP 86 1.040 -8.888 36.798 8.880 -99.200 -91.000 TRP6 86 1.020 -8.596 34.556 9.552 -99.200 -91.000 TYR 87 0.840 -4.731 32.051 8.372 -99.200 -91.000 PHE 95 1.000 2.209 36.709 19.693 -99.200 -91.000 TYR 99 0.840 -7.260 42.513 21.147 -99.200 -91.000 PHE 102 1.000 -0.912 34.222 23.467 -99.200 -91.000 TYR 112 0.840 4.874 38.659 21.869 -99.200 -91.000 HIS 119 0.900 -9.737 34.845 31.830 -99.200 -91.000 TYR 122 0.840 -11.899 37.386 22.855 -99.200 -91.000 PHE 123 1.000 -5.310 33.237 27.296 -99.200 -91.000 PHE 125 1.000 -10.942 33.374 17.354 -99.200 -91.000 TYR 135 0.840 -7.769 21.445 7.975 -99.200 -91.000 TYR 143 0.840 8.888 33.800 14.952 -99.200 -91.000 PHE 144 1.000 2.834 30.971 20.136 -99.200 -91.000 PHE 148 1.000 1.844 28.513 23.803 -99.200 -91.000 TYR 149 0.840 7.038 27.024 19.555 -99.200 -91.000 HIS 151 0.900 2.888 23.356 28.919 -99.200 -91.000 TYR 159 0.840 17.268 22.090 35.731 -99.200 -91.000 TYR 167 0.840 21.527 33.721 30.347 -99.200 -91.000 HIS 168 0.900 19.781 38.201 32.946 -99.200 -91.000 PHE 169 1.000 13.432 31.931 38.399 -99.200 -91.000 TYR 170 0.840 19.305 27.153 32.906 -99.200 -91.000 TYR 175 0.840 25.744 30.759 43.221 -99.200 -91.000 TYR 186 0.840 21.706 33.546 51.730 -99.200 -91.000 PHE 190 1.000 8.135 25.316 46.889 -99.200 -91.000 PHE 197 1.000 13.805 27.770 45.086 -99.200 -91.000 TYR 222 0.840 10.691 21.793 48.185 -99.200 -91.000 HIS 224 0.900 9.070 19.146 38.935 -99.200 -91.000 PHE 242 1.000 -2.669 27.825 22.016 -99.200 -91.000 PHE 246 1.000 -2.385 23.031 17.709 -99.200 -91.000 TYR 247 0.840 -3.860 19.146 21.991 -99.200 -91.000 PHE 258 1.000 5.338 18.404 12.399 -99.200 -91.000 TYR 284 0.840 34.651 34.564 13.054 -99.200 -91.000 HIS 285 0.900 34.415 37.357 21.127 -99.200 -91.000 TYR 287 0.840 37.602 28.434 17.012 -99.200 -91.000 TRP 296 1.040 37.603 22.225 8.367 -99.200 -91.000 TRP6 296 1.020 38.820 21.085 10.050 -99.200 -91.000 PHE 297 1.000 29.490 28.043 11.826 -99.200 -91.000 TRP 298 1.040 31.734 31.002 8.353 -99.200 -91.000 TRP6 298 1.020 29.574 31.811 8.882 -99.200 -91.000 PHE 304 1.000 24.572 21.746 8.881 -99.200 -91.000 PHE 312 1.000 24.265 27.783 13.292 -99.200 -91.000 PHE 315 1.000 23.055 24.564 19.171 -99.200 -91.000 PHE 327 1.000 21.094 36.186 9.933 -99.200 -91.000 PHE 339 1.000 26.879 32.656 14.669 -99.200 -91.000 HIS 342 0.900 32.750 33.734 22.763 -99.200 -91.000 HIS 355 0.900 26.755 29.790 26.681 -99.200 -91.000 PHE 358 1.000 25.046 36.563 27.143 -99.200 -91.000 TYR 366 0.840 33.793 19.604 17.297 -99.200 -91.000 PHE 369 1.000 33.251 19.863 6.184 -99.200 -91.000 HIS 374 0.900 28.354 12.695 13.805 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3h1dA1 SER 3980 HA -0.01 -0.09 0.24 -0.75 4.49 3.88 3h1dA1 SER 3980 HB2 -0.01 -0.00 0.07 -0.04 3.95 3.96 3h1dA1 SER 3980 HB3 -0.01 -0.00 0.05 -0.04 3.93 3.92 3h1dA1 SER 3981 H -0.01 0.06 0.11 -0.55 8.46 8.08 3h1dA1 SER 3981 HA 0.00 0.25 0.95 -0.75 4.49 4.94 3h1dA1 SER 3981 HB2 0.00 0.02 0.16 -0.04 3.95 4.09 3h1dA1 SER 3981 HB3 -0.00 0.06 -0.14 -0.04 3.93 3.80 3h1dA1 GLY 3982 H -0.00 0.24 0.10 -0.55 8.43 8.22 3h1dA1 GLY 3982 HA2 0.02 0.12 0.37 -0.51 4.01 4.01 3h1dA1 GLY 3982 HA3 0.02 0.05 0.39 -0.51 4.01 3.96 3h1dA1 LEU 3983 H 0.03 0.19 0.13 -0.55 8.37 8.18 3h1dA1 LEU 3983 HA -0.08 0.21 0.88 -0.75 4.35 4.61 3h1dA1 LEU 3983 HB2 -0.16 0.00 0.16 -0.04 1.64 1.61 3h1dA1 LEU 3983 HB3 -0.05 0.06 -0.07 -0.04 1.64 1.54 3h1dA1 LEU 3983 HG 0.04 -0.02 0.00 -0.04 1.64 1.62 3h1dA1 LEU 3983 HD13 0.03 0.02 -0.20 -0.04 0.93 0.74 3h1dA1 LEU 3983 HD23 0.02 0.01 -0.03 -0.04 0.89 0.85 3h1dA1 GLU 3984 H 0.03 0.12 -0.01 -0.55 8.60 8.20 3h1dA1 GLU 3984 HA 0.03 0.07 0.36 -0.75 4.29 4.00 3h1dA1 GLU 3984 HB2 0.09 0.23 0.03 -0.04 2.09 2.40 3h1dA1 GLU 3984 HB3 0.20 0.06 0.07 -0.04 1.99 2.28 3h1dA1 GLU 3984 HG2 0.25 0.09 0.01 -0.04 2.34 2.65 3h1dA1 GLU 3984 HG3 0.43 -0.04 0.03 -0.04 2.34 2.73 3h1dA1 VAL 3985 H -0.08 0.05 -0.40 -0.55 8.24 7.26 3h1dA1 VAL 3985 HA -0.05 0.16 0.29 -0.75 4.13 3.78 3h1dA1 VAL 3985 HB -0.04 0.03 0.02 -0.04 2.12 2.09 3h1dA1 VAL 3985 HG13 -0.09 -0.01 -0.11 -0.04 0.97 0.72 3h1dA1 VAL 3985 HG23 -0.04 0.02 -0.03 -0.04 0.95 0.86 3h1dA1 LEU 3986 H -0.36 0.41 -0.32 -0.55 8.37 7.55 3h1dA1 LEU 3986 HA -0.18 0.04 0.44 -0.75 4.35 3.89 3h1dA1 LEU 3986 HB2 -0.88 0.08 0.03 -0.04 1.64 0.83 3h1dA1 LEU 3986 HB3 -0.29 -0.04 0.10 -0.04 1.64 1.36 3h1dA1 LEU 3986 HG -0.26 0.02 0.10 -0.04 1.64 1.46 3h1dA1 LEU 3986 HD13 -0.16 -0.01 0.03 -0.04 0.93 0.74 3h1dA1 LEU 3986 HD23 -0.11 -0.01 -0.02 -0.04 0.89 0.71 3h1dA1 PHE 3987 H -0.42 0.47 -0.37 -0.55 8.34 7.46 3h1dA1 PHE 3987 HA -0.04 0.16 0.96 -0.75 4.62 4.94 3h1dA1 PHE 3987 HB2 -0.19 0.08 0.07 -0.04 3.15 3.06 3h1dA1 PHE 3987 HB3 -0.17 -0.09 0.14 -0.04 3.06 2.91 3h1dA1 PHE 3987 HD2 -0.27 0.06 -0.06 -0.04 7.28 6.98 3h1dA1 PHE 3987 HE2 -0.20 -0.04 -0.09 -0.04 7.38 7.00 3h1dA1 PHE 3987 HZ -0.10 -0.04 -0.07 -0.04 7.32 7.07 3h1dA1 GLN 3988 H -0.02 0.26 -0.21 -0.55 8.47 7.95 3h1dA1 GLN 3988 HA 0.03 0.26 0.58 -0.75 4.36 4.48 3h1dA1 GLN 3988 HB2 -0.01 0.04 0.08 -0.04 2.15 2.23 3h1dA1 GLN 3988 HB3 0.02 -0.13 0.06 -0.04 2.02 1.92 3h1dA1 GLN 3988 HG2 0.01 0.23 0.10 -0.04 2.40 2.70 3h1dA1 GLN 3988 HG3 -0.02 -0.10 0.13 -0.04 2.39 2.36 3h1dA1 GLN 3988 HE21 0.02 -0.09 0.01 -0.04 6.97 6.87 3h1dA1 GLN 3988 HE22 0.02 0.18 -0.09 -0.04 7.69 7.77 3h1dA1 GLY 3989 H 0.04 0.07 0.15 -0.55 8.43 8.14 3h1dA1 GLY 3989 HA2 0.03 -0.03 0.39 -0.51 4.01 3.89 3h1dA1 GLY 3989 HA3 0.04 0.13 0.68 -0.51 4.01 4.35 3h1dA1 PRO 3990 HA 0.03 0.15 0.33 -0.51 4.44 4.45 3h1dA1 PRO 3990 HB2 0.01 -0.01 -0.04 -0.04 2.28 2.20 3h1dA1 PRO 3990 HB3 -0.01 0.12 0.07 -0.04 2.02 2.16 3h1dA1 PRO 3990 HG2 0.02 0.02 0.01 -0.04 2.03 2.04 3h1dA1 PRO 3990 HG3 -0.00 0.05 0.02 -0.04 2.03 2.06 3h1dA1 PRO 3990 HD2 0.03 0.13 0.23 -0.04 3.68 4.03 3h1dA1 PRO 3990 HD3 0.02 0.11 0.19 -0.04 3.65 3.93 3h1dA1 HIS 3991 H 0.14 0.20 -0.22 -0.55 8.41 7.98 3h1dA1 HIS 3991 HA -0.00 0.00 0.37 -0.75 4.63 4.25 3h1dA1 HIS 3991 HB2 0.01 -0.03 0.07 -0.04 3.26 3.27 3h1dA1 HIS 3991 HB3 0.02 0.13 0.01 -0.04 3.20 3.32 3h1dA1 HIS 3991 HD2 -0.00 -0.03 0.09 -0.04 6.97 6.98 3h1dA1 HIS 3991 HE1 0.01 -0.01 -0.03 -0.04 7.75 7.67 3h1dA1 MET 3992 H 0.01 0.31 -0.32 -0.55 8.47 7.93 3h1dA1 MET 3992 HA -0.21 0.05 0.86 -0.75 4.52 4.47 3h1dA1 MET 3992 HB2 -0.04 0.25 0.12 -0.04 2.15 2.43 3h1dA1 MET 3992 HB3 -0.13 -0.09 -0.03 -0.04 2.03 1.74 3h1dA1 MET 3992 HG2 -0.29 -0.06 -0.05 -0.04 2.63 2.19 3h1dA1 MET 3992 HG3 -0.12 -0.03 -0.13 -0.04 2.56 2.24 3h1dA1 MET 3992 HE3 -0.55 -0.03 -0.08 -0.04 2.10 1.39 3h1dA1 ASP 3993 H -0.07 0.13 0.14 -0.55 8.40 8.05 3h1dA1 ASP 3993 HA 0.04 0.14 0.39 -0.75 4.63 4.44 3h1dA1 ASP 3993 HB2 -0.01 -0.08 0.13 -0.04 2.71 2.71 3h1dA1 ASP 3993 HB3 0.04 -0.12 0.12 -0.04 2.70 2.70 3h1dA1 PHE 3994 H 0.21 0.15 0.19 -0.55 8.34 8.33 3h1dA1 PHE 3994 HA 0.10 0.18 0.39 -0.75 4.62 4.54 3h1dA1 PHE 3994 HB2 0.04 0.07 0.14 -0.04 3.15 3.35 3h1dA1 PHE 3994 HB3 0.02 -0.13 0.12 -0.04 3.06 3.04 3h1dA1 PHE 3994 HD2 0.10 -0.05 -0.03 -0.04 7.28 7.26 3h1dA1 PHE 3994 HE2 -0.21 0.07 -0.10 -0.04 7.38 7.10 3h1dA1 PHE 3994 HZ -0.17 0.12 -0.27 -0.04 7.32 6.96 3h1dA1 ASP 3995 H 0.09 0.03 -0.17 -0.55 8.40 7.79 3h1dA1 ASP 3995 HA -0.22 0.14 0.43 -0.75 4.63 4.22 3h1dA1 ASP 3995 HB2 -0.02 0.08 0.02 -0.04 2.71 2.74 3h1dA1 ASP 3995 HB3 0.03 -0.01 0.09 -0.04 2.70 2.76 3h1dA1 VAL 3996 H -0.03 0.12 -0.29 -0.55 8.24 7.49 3h1dA1 VAL 3996 HA -0.05 0.06 0.47 -0.75 4.13 3.86 3h1dA1 VAL 3996 HB -0.08 0.12 0.07 -0.04 2.12 2.19 3h1dA1 VAL 3996 HG13 -0.14 0.02 -0.10 -0.04 0.97 0.70 3h1dA1 VAL 3996 HG23 -0.06 -0.02 0.03 -0.04 0.95 0.86 3h1dA1 LYS 3997 H -0.04 0.54 -0.12 -0.55 8.42 8.25 3h1dA1 LYS 3997 HA -0.05 0.04 0.43 -0.75 4.32 3.99 3h1dA1 LYS 3997 HB2 0.09 0.01 0.10 -0.04 1.87 2.03 3h1dA1 LYS 3997 HB3 -0.21 -0.00 -0.10 -0.04 1.79 1.44 3h1dA1 LYS 3997 HG2 -0.08 0.01 -0.02 -0.04 1.46 1.33 3h1dA1 LYS 3997 HG3 -0.01 0.07 -0.16 -0.04 1.46 1.33 3h1dA1 LYS 3997 HD2 0.20 -0.18 -0.05 -0.04 1.69 1.62 3h1dA1 LYS 3997 HD3 -0.09 -0.01 -0.15 -0.04 1.68 1.39 3h1dA1 LYS 3997 HE2 0.01 0.26 0.12 -0.04 2.99 3.34 3h1dA1 LYS 3997 HE3 0.05 0.12 0.11 -0.04 2.99 3.23 3h1dA1 ARG 3998 H -0.14 0.65 -0.17 -0.55 8.46 8.24 3h1dA1 ARG 3998 HA 0.22 0.05 0.36 -0.75 4.34 4.21 3h1dA1 ARG 3998 HB2 -0.68 0.12 0.13 -0.04 1.90 1.43 3h1dA1 ARG 3998 HB3 -0.20 0.04 0.08 -0.04 1.80 1.68 3h1dA1 ARG 3998 HG2 -0.03 0.01 -0.03 -0.04 1.67 1.58 3h1dA1 ARG 3998 HG3 -0.21 0.02 0.02 -0.04 1.67 1.46 3h1dA1 ARG 3998 HD2 -0.49 -0.04 -0.06 -0.04 3.22 2.59 3h1dA1 ARG 3998 HD3 -0.21 -0.06 -0.03 -0.04 3.22 2.88 3h1dA1 LYS 3999 H -0.01 0.41 -0.24 -0.55 8.42 8.02 3h1dA1 LYS 3999 HA 0.02 0.04 0.43 -0.75 4.32 4.06 3h1dA1 LYS 3999 HB2 -0.01 0.00 0.13 -0.04 1.87 1.95 3h1dA1 LYS 3999 HB3 0.00 0.07 0.19 -0.04 1.79 2.01 3h1dA1 LYS 3999 HG2 0.01 -0.00 -0.21 -0.04 1.46 1.21 3h1dA1 LYS 3999 HG3 -0.01 -0.02 0.04 -0.04 1.46 1.43 3h1dA1 LYS 3999 HD2 -0.01 0.00 -0.03 -0.04 1.69 1.61 3h1dA1 LYS 3999 HD3 -0.01 -0.02 -0.02 -0.04 1.68 1.59 3h1dA1 LYS 3999 HE2 -0.01 -0.01 -0.00 -0.04 2.99 2.93 3h1dA1 LYS 3999 HE3 -0.02 0.04 0.00 -0.04 2.99 2.98 3h1dA1 TYR 4000 H 0.13 0.57 -0.13 -0.55 8.29 8.32 3h1dA1 TYR 4000 HA -0.04 -0.02 0.46 -0.75 4.56 4.21 3h1dA1 TYR 4000 HB2 -0.12 -0.03 0.11 -0.04 3.06 2.97 3h1dA1 TYR 4000 HB3 -0.06 0.15 0.20 -0.04 2.98 3.22 3h1dA1 TYR 4000 HD2 -0.04 0.04 -0.05 -0.04 7.15 7.06 3h1dA1 TYR 4000 HE2 0.09 -0.01 -0.03 -0.04 6.85 6.86 3h1dA1 PHE 4001 H 0.29 0.76 -0.07 -0.55 8.34 8.77 3h1dA1 PHE 4001 HA -0.07 -0.03 0.40 -0.75 4.62 4.16 3h1dA1 PHE 4001 HB2 0.12 0.02 0.06 -0.04 3.15 3.30 3h1dA1 PHE 4001 HB3 0.19 0.13 0.17 -0.04 3.06 3.51 3h1dA1 PHE 4001 HD2 0.14 0.04 -0.12 -0.04 7.28 7.30 3h1dA1 PHE 4001 HE2 0.19 0.03 -0.18 -0.04 7.38 7.38 3h1dA1 PHE 4001 HZ 0.20 0.02 -0.11 -0.04 7.32 7.39 3h1dA1 ARG 4002 H 0.15 0.57 -0.13 -0.55 8.46 8.50 3h1dA1 ARG 4002 HA -0.18 0.08 0.44 -0.75 4.34 3.92 3h1dA1 ARG 4002 HB2 0.05 0.04 0.13 -0.04 1.90 2.08 3h1dA1 ARG 4002 HB3 -0.01 0.06 0.16 -0.04 1.80 1.98 3h1dA1 ARG 4002 HG2 -0.04 -0.05 0.00 -0.04 1.67 1.54 3h1dA1 ARG 4002 HG3 -0.08 -0.06 -0.18 -0.04 1.67 1.31 3h1dA1 ARG 4002 HD2 -0.12 -0.01 0.02 -0.04 3.22 3.07 3h1dA1 ARG 4002 HD3 -0.17 -0.04 0.12 -0.04 3.22 3.08 3h1dA1 GLN 4003 H -0.10 0.48 -0.19 -0.55 8.47 8.11 3h1dA1 GLN 4003 HA -0.11 0.00 0.43 -0.75 4.36 3.93 3h1dA1 GLN 4003 HB2 -0.12 0.12 0.22 -0.04 2.15 2.33 3h1dA1 GLN 4003 HB3 -0.11 -0.08 0.03 -0.04 2.02 1.82 3h1dA1 GLN 4003 HG2 -0.05 -0.06 0.05 -0.04 2.40 2.30 3h1dA1 GLN 4003 HG3 -0.05 0.01 0.04 -0.04 2.39 2.35 3h1dA1 GLN 4003 HE21 -0.01 -0.07 -0.03 -0.04 6.97 6.82 3h1dA1 GLN 4003 HE22 -0.02 -0.00 -0.00 -0.04 7.69 7.62 3h1dA1 GLU 4004 H -0.35 0.62 -0.11 -0.55 8.60 8.22 3h1dA1 GLU 4004 HA -0.20 -0.03 0.59 -0.75 4.29 3.90 3h1dA1 GLU 4004 HB2 -0.65 0.02 0.10 -0.04 2.09 1.52 3h1dA1 GLU 4004 HB3 -0.33 0.12 0.14 -0.04 1.99 1.87 3h1dA1 GLU 4004 HG2 -0.12 -0.05 -0.00 -0.04 2.34 2.12 3h1dA1 GLU 4004 HG3 -0.12 0.02 -0.07 -0.04 2.34 2.13 3h1dA1 LEU 4005 H -0.33 0.58 0.01 -0.55 8.37 8.09 3h1dA1 LEU 4005 HA -0.12 0.02 0.57 -0.75 4.35 4.07 3h1dA1 LEU 4005 HB2 -0.28 0.13 0.19 -0.04 1.64 1.63 3h1dA1 LEU 4005 HB3 -0.15 0.02 0.04 -0.04 1.64 1.51 3h1dA1 LEU 4005 HG -0.70 0.08 0.10 -0.04 1.64 1.07 3h1dA1 LEU 4005 HD13 -0.39 -0.01 -0.01 -0.04 0.93 0.49 3h1dA1 LEU 4005 HD23 -0.10 -0.02 0.05 -0.04 0.89 0.78 3h1dA1 GLU 4006 H -0.15 0.45 -0.24 -0.55 8.60 8.12 3h1dA1 GLU 4006 HA -0.06 0.06 0.39 -0.75 4.29 3.93 3h1dA1 GLU 4006 HB2 -0.09 0.10 0.17 -0.04 2.09 2.23 3h1dA1 GLU 4006 HB3 -0.06 -0.09 0.01 -0.04 1.99 1.81 3h1dA1 GLU 4006 HG2 -0.09 -0.03 0.02 -0.04 2.34 2.20 3h1dA1 GLU 4006 HG3 -0.13 0.23 0.09 -0.04 2.34 2.49 3h1dA1 ARG 4007 H -0.09 0.55 -0.01 -0.55 8.46 8.35 3h1dA1 ARG 4007 HA -0.04 -0.03 0.58 -0.75 4.34 4.10 3h1dA1 ARG 4007 HB2 -0.08 0.09 0.25 -0.04 1.90 2.12 3h1dA1 ARG 4007 HB3 -0.04 -0.07 0.07 -0.04 1.80 1.72 3h1dA1 ARG 4007 HG2 -0.04 -0.07 0.08 -0.04 1.67 1.60 3h1dA1 ARG 4007 HG3 -0.07 0.23 0.12 -0.04 1.67 1.91 3h1dA1 ARG 4007 HD2 -0.03 -0.04 0.02 -0.04 3.22 3.14 3h1dA1 ARG 4007 HD3 -0.03 -0.06 0.01 -0.04 3.22 3.10 3h1dA1 LEU 4008 H -0.06 0.59 -0.20 -0.55 8.37 8.16 3h1dA1 LEU 4008 HA -0.02 -0.03 0.37 -0.75 4.35 3.92 3h1dA1 LEU 4008 HB2 -0.02 0.16 0.18 -0.04 1.64 1.92 3h1dA1 LEU 4008 HB3 -0.01 -0.05 0.13 -0.04 1.64 1.67 3h1dA1 LEU 4008 HG -0.05 0.06 0.09 -0.04 1.64 1.70 3h1dA1 LEU 4008 HD13 -0.03 -0.03 -0.02 -0.04 0.93 0.81 3h1dA1 LEU 4008 HD23 -0.01 -0.03 0.04 -0.04 0.89 0.85 3h1dA1 ASP 4009 H -0.01 0.29 -0.53 -0.55 8.40 7.61 3h1dA1 ASP 4009 HA 0.01 0.15 0.89 -0.75 4.63 4.93 3h1dA1 ASP 4009 HB2 0.03 0.06 0.11 -0.04 2.71 2.87 3h1dA1 ASP 4009 HB3 0.04 -0.11 0.17 -0.04 2.70 2.77 3h1dA1 GLU 4010 H -0.01 0.44 -0.23 -0.55 8.60 8.25 3h1dA1 GLU 4010 HA -0.01 -0.03 0.49 -0.75 4.29 3.99 3h1dA1 GLU 4010 HB2 -0.01 0.10 0.16 -0.04 2.09 2.30 3h1dA1 GLU 4010 HB3 -0.01 -0.10 -0.01 -0.04 1.99 1.83 3h1dA1 GLU 4010 HG2 -0.02 -0.09 0.10 -0.04 2.34 2.30 3h1dA1 GLU 4010 HG3 -0.02 0.20 0.25 -0.04 2.34 2.73 3h1dA1 GLY 4011 H -0.01 0.10 0.18 -0.55 8.43 8.16 3h1dA1 GLY 4011 HA2 -0.01 -0.06 0.35 -0.51 4.01 3.78 3h1dA1 GLY 4011 HA3 -0.01 0.06 0.45 -0.51 4.01 4.00 3h1dA1 LEU 4012 H -0.00 0.50 -0.78 -0.55 8.37 7.54 3h1dA1 LEU 4012 HA -0.01 -0.04 0.51 -0.75 4.35 4.06 3h1dA1 LEU 4012 HB2 -0.00 0.02 0.05 -0.04 1.64 1.67 3h1dA1 LEU 4012 HB3 0.01 0.23 0.17 -0.04 1.64 2.01 3h1dA1 LEU 4012 HG 0.00 -0.08 -0.37 -0.04 1.64 1.15 3h1dA1 LEU 4012 HD13 -0.01 -0.04 -0.05 -0.04 0.93 0.79 3h1dA1 LEU 4012 HD23 0.00 0.02 -0.01 -0.04 0.89 0.86 3h1dA1 ARG 4013 H -0.01 0.12 0.14 -0.55 8.46 8.15 3h1dA1 ARG 4013 HA -0.01 0.09 0.68 -0.75 4.34 4.35 3h1dA1 ARG 4013 HB2 -0.01 0.01 0.07 -0.04 1.90 1.93 3h1dA1 ARG 4013 HB3 -0.01 -0.04 0.21 -0.04 1.80 1.93 3h1dA1 ARG 4013 HG2 -0.01 -0.07 0.03 -0.04 1.67 1.58 3h1dA1 ARG 4013 HG3 -0.01 -0.02 -0.00 -0.04 1.67 1.60 3h1dA1 ARG 4013 HD2 -0.01 0.24 -0.15 -0.04 3.22 3.26 3h1dA1 ARG 4013 HD3 -0.01 -0.06 0.01 -0.04 3.22 3.12 3h1dA1 LYS 4014 H 0.00 0.20 0.07 -0.55 8.42 8.14 3h1dA1 LYS 4014 HA -0.00 0.12 0.49 -0.75 4.32 4.17 3h1dA1 LYS 4014 HB2 0.01 -0.05 0.05 -0.04 1.87 1.85 3h1dA1 LYS 4014 HB3 0.02 -0.01 0.11 -0.04 1.79 1.87 3h1dA1 LYS 4014 HG2 0.01 -0.02 -0.23 -0.04 1.46 1.19 3h1dA1 LYS 4014 HG3 0.02 0.05 -0.13 -0.04 1.46 1.37 3h1dA1 LYS 4014 HD2 0.08 0.29 -0.06 -0.04 1.69 1.97 3h1dA1 LYS 4014 HD3 0.10 -0.01 -0.08 -0.04 1.68 1.65 3h1dA1 LYS 4014 HE2 0.05 -0.01 -0.00 -0.04 2.99 3.00 3h1dA1 LYS 4014 HE3 0.04 -0.12 -0.00 -0.04 2.99 2.88 3h1dA1 GLU 4015 H -0.01 0.29 0.24 -0.55 8.60 8.58 3h1dA1 GLU 4015 HA -0.02 0.08 0.46 -0.75 4.29 4.06 3h1dA1 GLU 4015 HB2 -0.02 -0.08 0.19 -0.04 2.09 2.14 3h1dA1 GLU 4015 HB3 -0.02 0.11 -0.08 -0.04 1.99 1.96 3h1dA1 GLU 4015 HG2 -0.02 -0.05 -0.05 -0.04 2.34 2.18 3h1dA1 GLU 4015 HG3 -0.02 0.16 -0.16 -0.04 2.34 2.28 3h1dA1 ASP 4016 H -0.03 0.08 0.16 -0.55 8.40 8.07 3h1dA1 ASP 4016 HA -0.02 0.30 0.82 -0.75 4.63 4.98 3h1dA1 ASP 4016 HB2 -0.06 -0.06 0.08 -0.04 2.71 2.63 3h1dA1 ASP 4016 HB3 -0.04 0.00 -0.07 -0.04 2.70 2.54 3h1dA1 MET 4017 H -0.01 0.69 0.23 -0.55 8.47 8.84 3h1dA1 MET 4017 HA -0.00 0.06 0.85 -0.75 4.52 4.68 3h1dA1 MET 4017 HB2 -0.03 0.03 -0.17 -0.04 2.15 1.93 3h1dA1 MET 4017 HB3 -0.06 0.02 -0.02 -0.04 2.03 1.93 3h1dA1 MET 4017 HG2 -0.06 0.09 -0.14 -0.04 2.63 2.48 3h1dA1 MET 4017 HG3 -0.03 -0.07 0.04 -0.04 2.56 2.45 3h1dA1 MET 4017 HE3 -0.05 -0.00 -0.16 -0.04 2.10 1.84 3h1dA1 ALA 4018 H 0.01 0.12 0.14 -0.55 8.40 8.12 3h1dA1 ALA 4018 HA -0.22 0.20 0.53 -0.75 4.34 4.09 3h1dA1 ALA 4018 HB3 -0.12 -0.02 0.06 -0.04 1.41 1.29 3h1dA1 VAL 4019 H -0.53 0.75 0.31 -0.55 8.24 8.22 3h1dA1 VAL 4019 HA -0.21 0.21 0.75 -0.75 4.13 4.12 3h1dA1 VAL 4019 HB -0.63 -0.14 0.05 -0.04 2.12 1.35 3h1dA1 VAL 4019 HG13 -0.22 0.01 -0.17 -0.04 0.97 0.54 3h1dA1 VAL 4019 HG23 -0.37 0.06 -0.22 -0.04 0.95 0.37 3h1dA1 HIS 4020 H -0.04 0.23 0.02 -0.55 8.41 8.07 3h1dA1 HIS 4020 HA -0.20 0.23 0.83 -0.75 4.63 4.73 3h1dA1 HIS 4020 HB2 -0.08 0.02 0.12 -0.04 3.26 3.28 3h1dA1 HIS 4020 HB3 -0.08 -0.03 -0.01 -0.04 3.20 3.04 3h1dA1 HIS 4020 HD2 -0.10 0.08 -0.08 -0.04 6.97 6.82 3h1dA1 HIS 4020 HE1 -0.08 -0.01 -0.06 -0.04 7.75 7.56 3h1dA1 VAL 4021 H -0.12 0.60 0.34 -0.55 8.24 8.51 3h1dA1 VAL 4021 HA 0.06 0.16 0.80 -0.75 4.13 4.40 3h1dA1 VAL 4021 HB 0.14 0.01 -0.06 -0.04 2.12 2.17 3h1dA1 VAL 4021 HG13 0.09 0.01 -0.46 -0.04 0.97 0.58 3h1dA1 VAL 4021 HG23 -0.12 -0.01 -0.25 -0.04 0.95 0.52 3h1dA1 ARG 4022 H 0.14 0.19 0.08 -0.55 8.46 8.32 3h1dA1 ARG 4022 HA 0.17 0.13 0.80 -0.75 4.34 4.69 3h1dA1 ARG 4022 HB2 0.25 -0.02 0.07 -0.04 1.90 2.16 3h1dA1 ARG 4022 HB3 0.23 -0.04 0.01 -0.04 1.80 1.96 3h1dA1 ARG 4022 HG2 0.10 0.06 0.02 -0.04 1.67 1.81 3h1dA1 ARG 4022 HG3 0.08 -0.00 -0.01 -0.04 1.67 1.69 3h1dA1 ARG 4022 HD2 0.07 0.01 -0.03 -0.04 3.22 3.23 3h1dA1 ARG 4022 HD3 -0.00 0.05 -0.02 -0.04 3.22 3.21 3h1dA1 ARG 4023 H 0.25 0.25 0.12 -0.55 8.46 8.53 3h1dA1 ARG 4023 HA 0.42 0.10 0.37 -0.75 4.34 4.47 3h1dA1 ARG 4023 HB2 0.05 0.05 0.11 -0.04 1.90 2.07 3h1dA1 ARG 4023 HB3 0.07 0.00 0.08 -0.04 1.80 1.90 3h1dA1 ARG 4023 HG2 -0.00 0.01 -0.14 -0.04 1.67 1.50 3h1dA1 ARG 4023 HG3 -0.08 0.00 0.06 -0.04 1.67 1.62 3h1dA1 ARG 4023 HD2 -0.08 0.01 -0.02 -0.04 3.22 3.09 3h1dA1 ARG 4023 HD3 -0.13 0.02 -0.02 -0.04 3.22 3.05 3h1dA1 ASP 4024 H 0.14 0.06 -0.30 -0.55 8.40 7.75 3h1dA1 ASP 4024 HA 0.00 0.23 0.68 -0.75 4.63 4.79 3h1dA1 ASP 4024 HB2 -0.12 0.05 0.16 -0.04 2.71 2.75 3h1dA1 ASP 4024 HB3 0.01 0.02 0.02 -0.04 2.70 2.71 3h1dA1 HIS 4025 H 0.20 0.52 -0.54 -0.55 8.41 8.05 3h1dA1 HIS 4025 HA 0.15 0.18 0.63 -0.75 4.63 4.84 3h1dA1 HIS 4025 HB2 0.10 -0.06 0.05 -0.04 3.26 3.31 3h1dA1 HIS 4025 HB3 0.11 -0.09 0.21 -0.04 3.20 3.39 3h1dA1 HIS 4025 HD2 0.11 -0.03 0.05 -0.04 6.97 7.06 3h1dA1 HIS 4025 HE1 0.05 -0.01 -0.06 -0.04 7.75 7.70 3h1dA1 VAL 4026 H 0.17 0.28 -0.04 -0.55 8.24 8.10 3h1dA1 VAL 4026 HA 0.22 0.06 0.28 -0.75 4.13 3.93 3h1dA1 VAL 4026 HB 0.12 -0.00 0.04 -0.04 2.12 2.24 3h1dA1 VAL 4026 HG13 0.03 0.02 -0.14 -0.04 0.97 0.84 3h1dA1 VAL 4026 HG23 0.29 0.05 0.02 -0.04 0.95 1.27 3h1dA1 PHE 4027 H 0.26 0.09 -0.18 -0.55 8.34 7.96 3h1dA1 PHE 4027 HA 0.06 0.14 0.28 -0.75 4.62 4.34 3h1dA1 PHE 4027 HB2 -0.08 -0.00 0.03 -0.04 3.15 3.07 3h1dA1 PHE 4027 HB3 -0.20 -0.04 0.03 -0.04 3.06 2.82 3h1dA1 PHE 4027 HD2 -0.69 -0.03 -0.07 -0.04 7.28 6.44 3h1dA1 PHE 4027 HE2 -0.09 0.03 -0.08 -0.04 7.38 7.20 3h1dA1 PHE 4027 HZ 0.24 0.05 -0.07 -0.04 7.32 7.49 3h1dA1 GLU 4028 H 0.18 0.06 -0.19 -0.55 8.60 8.10 3h1dA1 GLU 4028 HA -0.08 0.12 0.43 -0.75 4.29 4.01 3h1dA1 GLU 4028 HB2 0.19 -0.01 0.10 -0.04 2.09 2.32 3h1dA1 GLU 4028 HB3 0.10 0.03 0.01 -0.04 1.99 2.09 3h1dA1 GLU 4028 HG2 0.10 0.06 0.00 -0.04 2.34 2.46 3h1dA1 GLU 4028 HG3 0.21 -0.07 0.00 -0.04 2.34 2.44 3h1dA1 ASP 4029 H 0.13 0.56 -0.05 -0.55 8.40 8.49 3h1dA1 ASP 4029 HA 0.04 0.04 0.56 -0.75 4.63 4.51 3h1dA1 ASP 4029 HB2 0.13 0.07 0.17 -0.04 2.71 3.04 3h1dA1 ASP 4029 HB3 0.07 0.16 0.18 -0.04 2.70 3.07 3h1dA1 SER 4030 H 0.13 0.59 -0.15 -0.55 8.46 8.49 3h1dA1 SER 4030 HA 0.17 0.02 0.38 -0.75 4.49 4.30 3h1dA1 SER 4030 HB2 0.30 0.08 0.09 -0.04 3.95 4.38 3h1dA1 SER 4030 HB3 0.64 -0.00 -0.05 -0.04 3.93 4.47 3h1dA1 TYR 4031 H -0.23 0.44 -0.23 -0.55 8.29 7.72 3h1dA1 TYR 4031 HA -1.81 0.04 0.45 -0.75 4.56 2.48 3h1dA1 TYR 4031 HB2 -1.24 0.03 0.11 -0.04 3.06 1.91 3h1dA1 TYR 4031 HB3 -0.58 0.10 0.19 -0.04 2.98 2.66 3h1dA1 TYR 4031 HD2 -0.88 0.02 -0.05 -0.04 7.15 6.19 3h1dA1 TYR 4031 HE2 -0.59 0.03 -0.14 -0.04 6.85 6.11 3h1dA1 ARG 4032 H -0.09 0.56 -0.07 -0.55 8.46 8.31 3h1dA1 ARG 4032 HA -0.18 0.01 0.49 -0.75 4.34 3.91 3h1dA1 ARG 4032 HB2 -0.02 0.07 0.21 -0.04 1.90 2.12 3h1dA1 ARG 4032 HB3 -0.04 -0.05 0.04 -0.04 1.80 1.71 3h1dA1 ARG 4032 HG2 0.03 -0.03 0.05 -0.04 1.67 1.68 3h1dA1 ARG 4032 HG3 0.08 0.13 0.10 -0.04 1.67 1.93 3h1dA1 ARG 4032 HD2 0.01 -0.03 0.01 -0.04 3.22 3.17 3h1dA1 ARG 4032 HD3 0.04 -0.05 -0.02 -0.04 3.22 3.15 3h1dA1 GLU 4033 H -0.08 0.56 -0.21 -0.55 8.60 8.33 3h1dA1 GLU 4033 HA -0.06 -0.01 0.29 -0.75 4.29 3.76 3h1dA1 GLU 4033 HB2 -0.01 0.06 0.12 -0.04 2.09 2.22 3h1dA1 GLU 4033 HB3 -0.05 -0.03 0.08 -0.04 1.99 1.94 3h1dA1 GLU 4033 HG2 -0.01 0.01 0.10 -0.04 2.34 2.40 3h1dA1 GLU 4033 HG3 -0.01 0.05 0.00 -0.04 2.34 2.34 3h1dA1 LEU 4034 H -0.14 0.29 -0.28 -0.55 8.37 7.70 3h1dA1 LEU 4034 HA -0.04 0.20 1.01 -0.75 4.35 4.76 3h1dA1 LEU 4034 HB2 0.34 0.10 -0.02 -0.04 1.64 2.02 3h1dA1 LEU 4034 HB3 0.17 -0.01 -0.04 -0.04 1.64 1.73 3h1dA1 LEU 4034 HG 0.05 -0.09 -0.22 -0.04 1.64 1.34 3h1dA1 LEU 4034 HD13 0.27 -0.02 -0.09 -0.04 0.93 1.05 3h1dA1 LEU 4034 HD23 -0.03 0.03 -0.12 -0.04 0.89 0.72 3h1dA1 HIS 4035 H -0.26 0.56 0.13 -0.55 8.41 8.30 3h1dA1 HIS 4035 HA 0.03 0.07 0.21 -0.75 4.63 4.19 3h1dA1 HIS 4035 HB2 -0.27 -0.04 0.12 -0.04 3.26 3.03 3h1dA1 HIS 4035 HB3 -1.13 0.02 0.20 -0.04 3.20 2.25 3h1dA1 HIS 4035 HD2 -0.17 -0.02 -0.09 -0.04 6.97 6.64 3h1dA1 HIS 4035 HE1 -0.31 -0.05 -0.03 -0.04 7.75 7.32 3h1dA1 ARG 4036 H -0.48 0.08 -0.42 -0.55 8.46 7.09 3h1dA1 ARG 4036 HA -0.36 0.19 0.75 -0.75 4.34 4.17 3h1dA1 ARG 4036 HB2 -0.33 0.02 -0.02 -0.04 1.90 1.53 3h1dA1 ARG 4036 HB3 -0.25 -0.05 0.07 -0.04 1.80 1.53 3h1dA1 ARG 4036 HG2 -0.47 -0.01 -0.04 -0.04 1.67 1.11 3h1dA1 ARG 4036 HG3 -1.70 -0.04 -0.16 -0.04 1.67 -0.27 3h1dA1 ARG 4036 HD2 -0.20 -0.03 -0.01 -0.04 3.22 2.94 3h1dA1 ARG 4036 HD3 -0.17 -0.05 -0.02 -0.04 3.22 2.94 3h1dA1 LYS 4037 H -0.13 0.41 -0.30 -0.55 8.42 7.85 3h1dA1 LYS 4037 HA -0.08 -0.08 0.38 -0.75 4.32 3.78 3h1dA1 LYS 4037 HB2 -0.04 0.16 0.03 -0.04 1.87 1.98 3h1dA1 LYS 4037 HB3 -0.05 -0.09 -0.00 -0.04 1.79 1.61 3h1dA1 LYS 4037 HG2 -0.08 -0.03 0.11 -0.04 1.46 1.42 3h1dA1 LYS 4037 HG3 -0.04 0.02 0.04 -0.04 1.46 1.44 3h1dA1 LYS 4037 HD2 -0.05 -0.05 0.01 -0.04 1.69 1.56 3h1dA1 LYS 4037 HD3 -0.07 -0.07 0.00 -0.04 1.68 1.51 3h1dA1 LYS 4037 HE2 -0.07 0.09 0.07 -0.04 2.99 3.05 3h1dA1 LYS 4037 HE3 -0.05 0.05 0.04 -0.04 2.99 2.99 3h1dA1 SER 4038 H -0.06 -0.02 0.17 -0.55 8.46 8.01 3h1dA1 SER 4038 HA -0.04 0.23 0.56 -0.75 4.49 4.48 3h1dA1 SER 4038 HB2 -0.04 0.05 0.18 -0.04 3.95 4.10 3h1dA1 SER 4038 HB3 -0.04 0.06 0.16 -0.04 3.93 4.07 3h1dA1 PRO 4039 HA -0.07 0.15 0.42 -0.51 4.44 4.43 3h1dA1 PRO 4039 HB2 -0.04 -0.04 0.07 -0.04 2.28 2.22 3h1dA1 PRO 4039 HB3 -0.05 0.31 0.03 -0.04 2.02 2.26 3h1dA1 PRO 4039 HG2 -0.02 0.02 0.11 -0.04 2.03 2.10 3h1dA1 PRO 4039 HG3 -0.02 0.09 0.07 -0.04 2.03 2.12 3h1dA1 PRO 4039 HD2 -0.03 0.01 0.24 -0.04 3.68 3.86 3h1dA1 PRO 4039 HD3 -0.03 0.21 0.20 -0.04 3.65 3.99 3h1dA1 GLU 4040 H -0.05 0.05 -0.21 -0.55 8.60 7.84 3h1dA1 GLU 4040 HA -0.07 0.18 0.32 -0.75 4.29 3.97 3h1dA1 GLU 4040 HB2 -0.04 0.03 0.08 -0.04 2.09 2.13 3h1dA1 GLU 4040 HB3 -0.04 -0.09 0.06 -0.04 1.99 1.88 3h1dA1 GLU 4040 HG2 -0.03 0.01 -0.22 -0.04 2.34 2.05 3h1dA1 GLU 4040 HG3 -0.04 0.07 0.01 -0.04 2.34 2.35 3h1dA1 GLU 4041 H -0.05 0.02 -0.22 -0.55 8.60 7.80 3h1dA1 GLU 4041 HA -0.04 0.05 0.43 -0.75 4.29 3.97 3h1dA1 GLU 4041 HB2 -0.05 0.08 0.08 -0.04 2.09 2.16 3h1dA1 GLU 4041 HB3 -0.04 0.03 0.02 -0.04 1.99 1.96 3h1dA1 GLU 4041 HG2 -0.04 0.04 0.04 -0.04 2.34 2.34 3h1dA1 GLU 4041 HG3 -0.04 -0.08 0.06 -0.04 2.34 2.24 3h1dA1 MET 4042 H -0.08 0.34 -0.52 -0.55 8.47 7.66 3h1dA1 MET 4042 HA -0.05 0.01 0.39 -0.75 4.52 4.11 3h1dA1 MET 4042 HB2 -0.11 0.17 0.05 -0.04 2.15 2.23 3h1dA1 MET 4042 HB3 -0.08 -0.03 0.03 -0.04 2.03 1.90 3h1dA1 MET 4042 HG2 -0.04 0.13 -0.17 -0.04 2.63 2.51 3h1dA1 MET 4042 HG3 -0.03 -0.01 -0.10 -0.04 2.56 2.37 3h1dA1 MET 4042 HE3 0.04 -0.00 -0.03 -0.04 2.10 2.07 3h1dA1 LYS 4043 H -0.13 0.31 -0.52 -0.55 8.42 7.52 3h1dA1 LYS 4043 HA -0.37 0.13 0.68 -0.75 4.32 4.01 3h1dA1 LYS 4043 HB2 -0.10 0.13 0.10 -0.04 1.87 1.95 3h1dA1 LYS 4043 HB3 -0.04 -0.09 0.08 -0.04 1.79 1.71 3h1dA1 LYS 4043 HG2 -1.05 0.00 0.00 -0.04 1.46 0.38 3h1dA1 LYS 4043 HG3 -0.36 0.11 -0.02 -0.04 1.46 1.14 3h1dA1 LYS 4043 HD2 -0.11 -0.08 0.01 -0.04 1.69 1.48 3h1dA1 LYS 4043 HD3 -0.05 -0.05 0.01 -0.04 1.68 1.55 3h1dA1 LYS 4043 HE2 -0.17 0.03 0.03 -0.04 2.99 2.83 3h1dA1 LYS 4043 HE3 -0.19 0.06 0.01 -0.04 2.99 2.83 3h1dA1 ASN 4044 H -0.04 0.37 -0.34 -0.55 8.53 7.97 3h1dA1 ASN 4044 HA 0.01 -0.10 0.56 -0.75 4.76 4.49 3h1dA1 ASN 4044 HB2 -0.03 0.11 0.04 -0.04 2.88 2.97 3h1dA1 ASN 4044 HB3 -0.02 0.10 0.03 -0.04 2.79 2.86 3h1dA1 ASN 4044 HD21 -0.03 -0.11 0.01 -0.04 7.03 6.86 3h1dA1 ASN 4044 HD22 -0.03 0.01 0.01 -0.04 7.74 7.69 3h1dA1 ARG 4045 H 0.01 0.14 0.18 -0.55 8.46 8.25 3h1dA1 ARG 4045 HA 0.04 0.13 0.64 -0.75 4.34 4.40 3h1dA1 ARG 4045 HB2 0.02 0.04 0.09 -0.04 1.90 2.01 3h1dA1 ARG 4045 HB3 -0.00 -0.12 0.06 -0.04 1.80 1.70 3h1dA1 ARG 4045 HG2 0.00 0.05 -0.24 -0.04 1.67 1.44 3h1dA1 ARG 4045 HG3 0.03 0.04 0.06 -0.04 1.67 1.76 3h1dA1 ARG 4045 HD2 0.01 -0.05 -0.01 -0.04 3.22 3.13 3h1dA1 ARG 4045 HD3 0.01 0.04 -0.00 -0.04 3.22 3.23 3h1dA1 LEU 4046 H -0.02 0.15 0.16 -0.55 8.37 8.11 3h1dA1 LEU 4046 HA -0.12 0.25 0.64 -0.75 4.35 4.37 3h1dA1 LEU 4046 HB2 -0.33 -0.10 0.05 -0.04 1.64 1.22 3h1dA1 LEU 4046 HB3 -0.48 -0.05 -0.06 -0.04 1.64 1.01 3h1dA1 LEU 4046 HG -0.06 0.12 0.02 -0.04 1.64 1.68 3h1dA1 LEU 4046 HD13 -0.34 -0.02 -0.06 -0.04 0.93 0.47 3h1dA1 LEU 4046 HD23 -0.12 0.02 -0.16 -0.04 0.89 0.58 3h1dA1 TYR 4047 H -0.11 0.83 0.22 -0.55 8.29 8.69 3h1dA1 TYR 4047 HA -0.16 0.06 0.72 -0.75 4.56 4.42 3h1dA1 TYR 4047 HB2 -0.11 0.02 -0.12 -0.04 3.06 2.81 3h1dA1 TYR 4047 HB3 -0.15 0.04 -0.21 -0.04 2.98 2.61 3h1dA1 TYR 4047 HD2 -0.11 -0.01 -0.10 -0.04 7.15 6.90 3h1dA1 TYR 4047 HE2 -0.06 0.00 -0.07 -0.04 6.85 6.68 3h1dA1 ILE 4048 H -0.21 0.12 0.03 -0.55 8.25 7.63 3h1dA1 ILE 4048 HA -0.64 0.20 0.55 -0.75 4.18 3.54 3h1dA1 ILE 4048 HB -0.28 -0.09 -0.03 -0.04 1.89 1.45 3h1dA1 ILE 4048 HG12 -0.41 -0.04 -0.12 -0.04 1.49 0.88 3h1dA1 ILE 4048 HG13 -0.51 0.04 -0.09 -0.04 1.21 0.61 3h1dA1 ILE 4048 HG23 -0.79 0.00 -0.18 -0.04 0.93 -0.08 3h1dA1 ILE 4048 HD13 -1.38 0.01 -0.19 -0.04 0.88 -0.72 3h1dA1 VAL 4049 H -0.62 0.76 0.29 -0.55 8.24 8.11 3h1dA1 VAL 4049 HA -0.28 0.19 0.96 -0.75 4.13 4.24 3h1dA1 VAL 4049 HB -0.72 -0.06 0.06 -0.04 2.12 1.36 3h1dA1 VAL 4049 HG13 -0.02 -0.01 -0.19 -0.04 0.97 0.71 3h1dA1 VAL 4049 HG23 -0.92 0.03 -0.24 -0.04 0.95 -0.22 3h1dA1 PHE 4050 H 0.08 0.21 0.05 -0.55 8.34 8.13 3h1dA1 PHE 4050 HA 0.02 0.23 0.75 -0.75 4.62 4.87 3h1dA1 PHE 4050 HB2 0.02 0.02 0.15 -0.04 3.15 3.31 3h1dA1 PHE 4050 HB3 0.04 -0.01 0.02 -0.04 3.06 3.06 3h1dA1 PHE 4050 HD2 0.05 -0.02 -0.08 -0.04 7.28 7.19 3h1dA1 PHE 4050 HE2 0.11 0.01 -0.05 -0.04 7.38 7.41 3h1dA1 PHE 4050 HZ 0.18 0.01 -0.12 -0.04 7.32 7.36 3h1dA1 GLU 4051 H 0.13 0.76 0.39 -0.55 8.60 9.33 3h1dA1 GLU 4051 HA 0.09 -0.01 0.25 -0.75 4.29 3.87 3h1dA1 GLU 4051 HB2 0.09 0.05 -0.11 -0.04 2.09 2.07 3h1dA1 GLU 4051 HB3 0.10 -0.12 0.12 -0.04 1.99 2.05 3h1dA1 GLU 4051 HG2 0.05 -0.02 -0.07 -0.04 2.34 2.26 3h1dA1 GLU 4051 HG3 0.05 0.03 -0.11 -0.04 2.34 2.27 3h1dA1 GLY 4052 H 0.07 0.12 0.13 -0.55 8.43 8.20 3h1dA1 GLY 4052 HA2 0.05 -0.00 0.32 -0.51 4.01 3.86 3h1dA1 GLY 4052 HA3 0.05 0.06 0.35 -0.51 4.01 3.96 3h1dA1 GLU 4053 H 0.10 0.55 -0.26 -0.55 8.60 8.43 3h1dA1 GLU 4053 HA 0.05 0.11 0.76 -0.75 4.29 4.45 3h1dA1 GLU 4053 HB2 0.13 0.07 0.17 -0.04 2.09 2.42 3h1dA1 GLU 4053 HB3 0.05 -0.03 0.03 -0.04 1.99 2.00 3h1dA1 GLU 4053 HG2 0.03 0.01 -0.06 -0.04 2.34 2.28 3h1dA1 GLU 4053 HG3 0.10 0.13 -0.21 -0.04 2.34 2.32 3h1dA1 GLU 4054 H 0.04 0.24 0.17 -0.55 8.60 8.51 3h1dA1 GLU 4054 HA 0.05 0.23 1.00 -0.75 4.29 4.81 3h1dA1 GLU 4054 HB2 0.03 0.03 0.04 -0.04 2.09 2.15 3h1dA1 GLU 4054 HB3 0.03 -0.00 0.04 -0.04 1.99 2.02 3h1dA1 GLU 4054 HG2 0.04 0.03 -0.05 -0.04 2.34 2.32 3h1dA1 GLU 4054 HG3 0.04 -0.05 -0.42 -0.04 2.34 1.87 3h1dA1 GLY 4055 H 0.04 0.17 0.13 -0.55 8.43 8.22 3h1dA1 GLY 4055 HA2 0.03 0.02 0.30 -0.51 4.01 3.84 3h1dA1 GLY 4055 HA3 0.02 0.05 0.27 -0.51 4.01 3.85 3h1dA1 GLN 4056 H 0.04 0.05 -0.82 -0.55 8.47 7.20 3h1dA1 GLN 4056 HA 0.02 0.07 0.81 -0.75 4.36 4.51 3h1dA1 GLN 4056 HB2 0.04 0.01 -0.06 -0.04 2.15 2.10 3h1dA1 GLN 4056 HB3 0.02 0.04 -0.00 -0.04 2.02 2.04 3h1dA1 GLN 4056 HG2 0.02 0.07 -0.15 -0.04 2.40 2.31 3h1dA1 GLN 4056 HG3 0.01 -0.02 -0.04 -0.04 2.39 2.29 3h1dA1 GLN 4056 HE21 0.01 -0.03 -0.03 -0.04 6.97 6.88 3h1dA1 GLN 4056 HE22 0.01 0.09 -0.09 -0.04 7.69 7.66 3h1dA1 ASP 4057 H 0.02 0.09 0.11 -0.55 8.40 8.08 3h1dA1 ASP 4057 HA 0.03 0.01 0.40 -0.75 4.63 4.32 3h1dA1 ASP 4057 HB2 0.02 0.04 0.16 -0.04 2.71 2.89 3h1dA1 ASP 4057 HB3 0.03 0.05 0.05 -0.04 2.70 2.79 3h1dA1 ALA 4058 H 0.04 0.06 0.18 -0.55 8.40 8.14 3h1dA1 ALA 4058 HA 0.08 0.27 0.74 -0.75 4.34 4.67 3h1dA1 ALA 4058 HB3 0.06 0.01 0.08 -0.04 1.41 1.52 3h1dA1 GLY 4059 H 0.04 0.01 -0.03 -0.55 8.43 7.91 3h1dA1 GLY 4059 HA2 0.05 0.07 0.62 -0.51 4.01 4.24 3h1dA1 GLY 4059 HA3 0.04 0.06 0.32 -0.51 4.01 3.91 3h1dA1 GLY 4060 H 0.07 0.16 0.23 -0.55 8.43 8.35 3h1dA1 GLY 4060 HA2 0.08 0.01 0.35 -0.51 4.01 3.95 3h1dA1 GLY 4060 HA3 0.07 0.18 0.32 -0.51 4.01 4.07 3h1dA1 LEU 4061 H 0.10 0.25 -0.18 -0.55 8.37 8.00 3h1dA1 LEU 4061 HA 0.22 0.13 0.49 -0.75 4.35 4.44 3h1dA1 LEU 4061 HB2 0.10 0.03 0.11 -0.04 1.64 1.84 3h1dA1 LEU 4061 HB3 0.16 -0.02 -0.00 -0.04 1.64 1.74 3h1dA1 LEU 4061 HG 0.13 0.06 -0.18 -0.04 1.64 1.60 3h1dA1 LEU 4061 HD13 0.14 0.02 0.05 -0.04 0.93 1.10 3h1dA1 LEU 4061 HD23 0.29 -0.00 -0.06 -0.04 0.89 1.07 3h1dA1 LEU 4062 H 0.10 0.10 -0.02 -0.55 8.37 8.01 3h1dA1 LEU 4062 HA 0.06 0.10 0.48 -0.75 4.35 4.23 3h1dA1 LEU 4062 HB2 0.03 0.06 0.13 -0.04 1.64 1.82 3h1dA1 LEU 4062 HB3 0.14 -0.03 0.10 -0.04 1.64 1.81 3h1dA1 LEU 4062 HG 0.38 -0.00 -0.14 -0.04 1.64 1.84 3h1dA1 LEU 4062 HD13 -0.23 0.03 -0.00 -0.04 0.93 0.68 3h1dA1 LEU 4062 HD23 0.19 0.05 0.02 -0.04 0.89 1.10 3h1dA1 ARG 4063 H 0.18 0.01 -0.21 -0.55 8.46 7.88 3h1dA1 ARG 4063 HA 0.30 0.14 0.43 -0.75 4.34 4.46 3h1dA1 ARG 4063 HB2 0.13 0.04 0.10 -0.04 1.90 2.13 3h1dA1 ARG 4063 HB3 0.12 0.05 0.01 -0.04 1.80 1.94 3h1dA1 ARG 4063 HG2 0.14 0.09 0.05 -0.04 1.67 1.91 3h1dA1 ARG 4063 HG3 0.12 -0.10 0.06 -0.04 1.67 1.72 3h1dA1 ARG 4063 HD2 0.07 0.03 0.03 -0.04 3.22 3.31 3h1dA1 ARG 4063 HD3 0.07 0.06 0.04 -0.04 3.22 3.34 3h1dA1 GLU 4064 H 0.20 0.36 -0.29 -0.55 8.60 8.32 3h1dA1 GLU 4064 HA 0.13 0.03 0.39 -0.75 4.29 4.08 3h1dA1 GLU 4064 HB2 0.13 0.10 0.14 -0.04 2.09 2.42 3h1dA1 GLU 4064 HB3 0.29 0.10 0.18 -0.04 1.99 2.52 3h1dA1 GLU 4064 HG2 0.18 -0.03 -0.17 -0.04 2.34 2.29 3h1dA1 GLU 4064 HG3 0.06 -0.03 0.04 -0.04 2.34 2.36 3h1dA1 TRP 4065 H 0.42 0.51 -0.21 -0.55 7.97 8.14 3h1dA1 TRP 4065 HA 0.15 -0.05 0.41 -0.75 4.62 4.37 3h1dA1 TRP 4065 HB2 -0.05 -0.01 0.11 -0.04 3.23 3.24 3h1dA1 TRP 4065 HB3 -0.12 0.16 0.21 -0.04 3.23 3.43 3h1dA1 TRP 4065 HD1 -0.17 -0.07 -0.05 -0.04 7.22 6.89 3h1dA1 TRP 4065 HE1 -0.06 -0.01 -0.09 -0.04 10.20 10.00 3h1dA1 TRP 4065 HE3 -0.99 0.09 -0.07 -0.04 7.59 6.58 3h1dA1 TRP 4065 HZ2 0.01 0.00 -0.09 -0.04 7.44 7.31 3h1dA1 TRP 4065 HZ3 -1.15 0.08 -0.09 -0.04 7.13 5.93 3h1dA1 TRP 4065 HH2 -0.12 0.08 -0.09 -0.04 7.19 7.02 3h1dA1 TYR 4066 H 0.34 0.63 -0.09 -0.55 8.29 8.62 3h1dA1 TYR 4066 HA -0.34 -0.00 0.43 -0.75 4.56 3.90 3h1dA1 TYR 4066 HB2 0.12 0.06 0.15 -0.04 3.06 3.34 3h1dA1 TYR 4066 HB3 -0.00 0.15 -0.02 -0.04 2.98 3.07 3h1dA1 TYR 4066 HD2 0.05 -0.05 -0.09 -0.04 7.15 7.02 3h1dA1 TYR 4066 HE2 0.19 0.02 -0.08 -0.04 6.85 6.93 3h1dA1 MET 4067 H 0.13 0.46 -0.25 -0.55 8.47 8.26 3h1dA1 MET 4067 HA -0.01 0.02 0.49 -0.75 4.52 4.27 3h1dA1 MET 4067 HB2 0.06 0.07 0.12 -0.04 2.15 2.36 3h1dA1 MET 4067 HB3 0.05 0.09 0.17 -0.04 2.03 2.30 3h1dA1 MET 4067 HG2 0.00 -0.04 -0.07 -0.04 2.63 2.49 3h1dA1 MET 4067 HG3 -0.01 -0.03 0.07 -0.04 2.56 2.55 3h1dA1 MET 4067 HE3 0.05 0.01 -0.03 -0.04 2.10 2.09 3h1dA1 ILE 4068 H 0.01 0.52 -0.09 -0.55 8.25 8.14 3h1dA1 ILE 4068 HA -0.03 0.02 0.36 -0.75 4.18 3.78 3h1dA1 ILE 4068 HB 0.01 0.09 0.17 -0.04 1.89 2.12 3h1dA1 ILE 4068 HG12 0.04 -0.05 0.04 -0.04 1.49 1.48 3h1dA1 ILE 4068 HG13 0.08 0.25 0.11 -0.04 1.21 1.60 3h1dA1 ILE 4068 HG23 0.05 -0.03 -0.08 -0.04 0.93 0.83 3h1dA1 ILE 4068 HD13 0.19 -0.02 -0.01 -0.04 0.88 1.00 3h1dA1 ILE 4069 H -0.31 0.72 -0.03 -0.55 8.25 8.08 3h1dA1 ILE 4069 HA -0.14 -0.11 0.39 -0.75 4.18 3.57 3h1dA1 ILE 4069 HB -0.76 0.02 0.03 -0.04 1.89 1.14 3h1dA1 ILE 4069 HG12 0.06 0.02 -0.05 -0.04 1.49 1.48 3h1dA1 ILE 4069 HG13 0.16 -0.16 -0.09 -0.04 1.21 1.08 3h1dA1 ILE 4069 HG23 -0.63 0.04 -0.06 -0.04 0.93 0.24 3h1dA1 ILE 4069 HD13 -0.06 0.02 -0.09 -0.04 0.88 0.71 3h1dA1 SER 4070 H -0.19 0.52 -0.34 -0.55 8.46 7.91 3h1dA1 SER 4070 HA -0.33 0.02 0.32 -0.75 4.49 3.76 3h1dA1 SER 4070 HB2 -0.17 0.18 0.14 -0.04 3.95 4.06 3h1dA1 SER 4070 HB3 -0.30 -0.02 -0.14 -0.04 3.93 3.42 3h1dA1 ARG 4071 H -0.15 0.43 -0.16 -0.55 8.46 8.01 3h1dA1 ARG 4071 HA -0.17 0.11 0.55 -0.75 4.34 4.07 3h1dA1 ARG 4071 HB2 -0.06 0.09 0.19 -0.04 1.90 2.07 3h1dA1 ARG 4071 HB3 -0.05 -0.09 0.02 -0.04 1.80 1.64 3h1dA1 ARG 4071 HG2 -0.07 0.01 0.04 -0.04 1.67 1.61 3h1dA1 ARG 4071 HG3 -0.07 0.20 0.09 -0.04 1.67 1.85 3h1dA1 ARG 4071 HD2 -0.02 -0.04 0.01 -0.04 3.22 3.13 3h1dA1 ARG 4071 HD3 -0.02 -0.02 0.00 -0.04 3.22 3.14 3h1dA1 GLU 4072 H -0.13 0.63 -0.01 -0.55 8.60 8.55 3h1dA1 GLU 4072 HA 0.01 -0.02 0.49 -0.75 4.29 4.01 3h1dA1 GLU 4072 HB2 -0.13 0.11 0.11 -0.04 2.09 2.14 3h1dA1 GLU 4072 HB3 -0.08 -0.12 0.08 -0.04 1.99 1.83 3h1dA1 GLU 4072 HG2 -0.01 0.31 0.06 -0.04 2.34 2.66 3h1dA1 GLU 4072 HG3 0.08 -0.23 -0.03 -0.04 2.34 2.13 3h1dA1 MET 4073 H -0.32 0.68 -0.32 -0.55 8.47 7.96 3h1dA1 MET 4073 HA -0.60 -0.02 0.41 -0.75 4.52 3.55 3h1dA1 MET 4073 HB2 -0.41 0.15 0.05 -0.04 2.15 1.90 3h1dA1 MET 4073 HB3 -0.17 -0.07 0.10 -0.04 2.03 1.84 3h1dA1 MET 4073 HG2 -0.06 -0.10 -0.03 -0.04 2.63 2.40 3h1dA1 MET 4073 HG3 -0.22 0.24 0.01 -0.04 2.56 2.55 3h1dA1 MET 4073 HE3 0.10 -0.01 -0.01 -0.04 2.10 2.14 3h1dA1 PHE 4074 H -0.05 0.15 -0.94 -0.55 8.34 6.95 3h1dA1 PHE 4074 HA -0.16 0.08 0.67 -0.75 4.62 4.46 3h1dA1 PHE 4074 HB2 -0.36 0.15 -0.01 -0.04 3.15 2.88 3h1dA1 PHE 4074 HB3 -0.56 -0.08 0.05 -0.04 3.06 2.43 3h1dA1 PHE 4074 HD2 -0.75 0.41 0.07 -0.04 7.28 6.97 3h1dA1 PHE 4074 HE2 -0.84 -0.05 -0.02 -0.04 7.38 6.43 3h1dA1 PHE 4074 HZ -1.28 -0.05 -0.18 -0.04 7.32 5.77 3h1dA1 ASN 4075 H 0.07 0.22 -0.00 -0.55 8.53 8.28 3h1dA1 ASN 4075 HA 0.04 0.14 0.55 -0.75 4.76 4.73 3h1dA1 ASN 4075 HB2 0.08 0.08 0.22 -0.04 2.88 3.22 3h1dA1 ASN 4075 HB3 0.14 -0.04 0.22 -0.04 2.79 3.07 3h1dA1 ASN 4075 HD21 -0.06 -0.01 0.04 -0.04 7.03 6.96 3h1dA1 ASN 4075 HD22 0.02 0.02 0.04 -0.04 7.74 7.78 3h1dA1 PRO 4076 HA 0.02 0.15 0.45 -0.51 4.44 4.55 3h1dA1 PRO 4076 HB2 -0.04 -0.01 0.02 -0.04 2.28 2.22 3h1dA1 PRO 4076 HB3 -0.01 0.05 0.15 -0.04 2.02 2.17 3h1dA1 PRO 4076 HG2 -0.00 0.00 0.13 -0.04 2.03 2.12 3h1dA1 PRO 4076 HG3 0.03 0.10 0.16 -0.04 2.03 2.29 3h1dA1 PRO 4076 HD2 -0.02 0.01 0.26 -0.04 3.68 3.89 3h1dA1 PRO 4076 HD3 0.04 0.29 0.33 -0.04 3.65 4.28 3h1dA1 MET 4077 H -0.19 0.07 -0.36 -0.55 8.47 7.45 3h1dA1 MET 4077 HA -0.15 0.11 0.29 -0.75 4.52 4.01 3h1dA1 MET 4077 HB2 -0.29 0.02 0.07 -0.04 2.15 1.91 3h1dA1 MET 4077 HB3 -0.21 -0.01 0.07 -0.04 2.03 1.84 3h1dA1 MET 4077 HG2 -0.46 -0.05 0.02 -0.04 2.63 2.10 3h1dA1 MET 4077 HG3 -1.41 0.06 -0.14 -0.04 2.56 1.03 3h1dA1 MET 4077 HE3 -0.11 -0.00 0.02 -0.04 2.10 1.96 3h1dA1 TYR 4078 H -0.22 0.34 -0.27 -0.55 8.29 7.59 3h1dA1 TYR 4078 HA -0.08 0.12 0.70 -0.75 4.56 4.54 3h1dA1 TYR 4078 HB2 -0.05 0.09 0.03 -0.04 3.06 3.08 3h1dA1 TYR 4078 HB3 -0.02 -0.02 0.04 -0.04 2.98 2.94 3h1dA1 TYR 4078 HD2 -0.10 0.13 0.05 -0.04 7.15 7.19 3h1dA1 TYR 4078 HE2 0.03 -0.03 0.02 -0.04 6.85 6.83 3h1dA1 ALA 4079 H 0.01 0.24 -0.31 -0.55 8.40 7.80 3h1dA1 ALA 4079 HA 0.01 0.05 0.29 -0.75 4.34 3.94 3h1dA1 ALA 4079 HB3 -0.02 0.05 -0.05 -0.04 1.41 1.35 3h1dA1 LEU 4080 H 0.06 0.04 -0.34 -0.55 8.37 7.58 3h1dA1 LEU 4080 HA -0.16 0.18 0.79 -0.75 4.35 4.41 3h1dA1 LEU 4080 HB2 0.10 0.05 -0.05 -0.04 1.64 1.69 3h1dA1 LEU 4080 HB3 -0.65 -0.04 -0.04 -0.04 1.64 0.87 3h1dA1 LEU 4080 HG -0.05 0.08 -0.28 -0.04 1.64 1.36 3h1dA1 LEU 4080 HD13 0.13 -0.01 -0.12 -0.04 0.93 0.89 3h1dA1 LEU 4080 HD23 -0.75 -0.00 -0.11 -0.04 0.89 -0.02 3h1dA1 PHE 4081 H 0.17 0.13 0.01 -0.55 8.34 8.09 3h1dA1 PHE 4081 HA 0.06 0.18 0.97 -0.75 4.62 5.08 3h1dA1 PHE 4081 HB2 -0.17 0.03 -0.02 -0.04 3.15 2.95 3h1dA1 PHE 4081 HB3 -0.22 0.01 -0.03 -0.04 3.06 2.78 3h1dA1 PHE 4081 HD2 0.04 -0.02 -0.33 -0.04 7.28 6.93 3h1dA1 PHE 4081 HE2 -0.03 -0.06 -0.11 -0.04 7.38 7.15 3h1dA1 PHE 4081 HZ 0.39 -0.03 -0.09 -0.04 7.32 7.55 3h1dA1 ARG 4082 H 0.12 0.71 0.30 -0.55 8.46 9.05 3h1dA1 ARG 4082 HA 0.05 0.11 0.67 -0.75 4.34 4.41 3h1dA1 ARG 4082 HB2 -0.05 -0.03 0.09 -0.04 1.90 1.87 3h1dA1 ARG 4082 HB3 0.00 -0.00 -0.19 -0.04 1.80 1.58 3h1dA1 ARG 4082 HG2 -0.02 0.04 -0.20 -0.04 1.67 1.46 3h1dA1 ARG 4082 HG3 -0.07 0.18 -0.26 -0.04 1.67 1.49 3h1dA1 ARG 4082 HD2 -0.03 -0.02 -0.05 -0.04 3.22 3.08 3h1dA1 ARG 4082 HD3 -0.02 -0.10 -0.07 -0.04 3.22 2.99 3h1dA1 THR 4083 H -0.31 0.07 0.14 -0.55 8.28 7.63 3h1dA1 THR 4083 HA -0.89 0.19 0.50 -0.75 4.39 3.43 3h1dA1 THR 4083 HB -0.34 0.19 0.01 -0.04 4.32 4.14 3h1dA1 THR 4083 HG23 -0.68 0.00 0.01 -0.04 1.22 0.51 3h1dA1 SER 4084 H -0.25 0.68 0.33 -0.55 8.46 8.67 3h1dA1 SER 4084 HA -0.09 0.05 0.61 -0.75 4.49 4.30 3h1dA1 SER 4084 HB2 -0.04 0.21 0.23 -0.04 3.95 4.30 3h1dA1 SER 4084 HB3 -0.07 -0.13 0.02 -0.04 3.93 3.71 3h1dA1 PRO 4085 HA -0.02 0.01 0.46 -0.51 4.44 4.38 3h1dA1 PRO 4085 HB2 0.05 -0.12 0.17 -0.04 2.28 2.33 3h1dA1 PRO 4085 HB3 0.03 -0.03 0.12 -0.04 2.02 2.09 3h1dA1 PRO 4085 HG2 -0.02 -0.04 0.10 -0.04 2.03 2.02 3h1dA1 PRO 4085 HG3 -0.03 0.05 0.11 -0.04 2.03 2.12 3h1dA1 PRO 4085 HD2 -0.02 0.43 0.35 -0.04 3.68 4.40 3h1dA1 PRO 4085 HD3 -0.05 0.14 0.27 -0.04 3.65 3.97 3h1dA1 GLY 4086 H 0.00 0.12 0.12 -0.55 8.43 8.13 3h1dA1 GLY 4086 HA2 0.02 -0.03 0.45 -0.51 4.01 3.94 3h1dA1 GLY 4086 HA3 0.01 0.03 0.67 -0.51 4.01 4.21 3h1dA1 ASP 4087 H -0.05 0.43 -0.38 -0.55 8.40 7.85 3h1dA1 ASP 4087 HA -0.07 0.12 0.63 -0.75 4.63 4.55 3h1dA1 ASP 4087 HB2 -0.06 0.03 0.08 -0.04 2.71 2.72 3h1dA1 ASP 4087 HB3 -0.06 0.02 0.19 -0.04 2.70 2.80 3h1dA1 ARG 4088 H -0.07 0.28 0.21 -0.55 8.46 8.33 3h1dA1 ARG 4088 HA -0.16 0.11 0.40 -0.75 4.34 3.93 3h1dA1 ARG 4088 HB2 -0.07 -0.02 0.12 -0.04 1.90 1.89 3h1dA1 ARG 4088 HB3 -0.06 0.06 0.12 -0.04 1.80 1.88 3h1dA1 ARG 4088 HG2 -0.04 0.03 0.02 -0.04 1.67 1.63 3h1dA1 ARG 4088 HG3 -0.03 0.02 -0.35 -0.04 1.67 1.27 3h1dA1 ARG 4088 HD2 -0.02 -0.02 0.01 -0.04 3.22 3.14 3h1dA1 ARG 4088 HD3 -0.02 0.03 0.01 -0.04 3.22 3.19 3h1dA1 VAL 4089 H -0.07 0.00 -0.36 -0.55 8.24 7.26 3h1dA1 VAL 4089 HA 0.01 0.13 0.62 -0.75 4.13 4.14 3h1dA1 VAL 4089 HB -0.09 -0.00 0.00 -0.04 2.12 1.99 3h1dA1 VAL 4089 HG13 -0.25 -0.02 -0.19 -0.04 0.97 0.47 3h1dA1 VAL 4089 HG23 -0.10 0.00 -0.04 -0.04 0.95 0.76 3h1dA1 THR 4090 H -0.07 0.16 -0.16 -0.55 8.28 7.67 3h1dA1 THR 4090 HA 0.12 0.23 0.37 -0.75 4.39 4.37 3h1dA1 THR 4090 HB 0.05 -0.04 -0.45 -0.04 4.32 3.84 3h1dA1 THR 4090 HG23 0.07 -0.03 -0.14 -0.04 1.22 1.07 3h1dA1 TYR 4091 H 0.03 0.61 0.40 -0.55 8.29 8.78 3h1dA1 TYR 4091 HA -0.21 0.18 0.93 -0.75 4.56 4.71 3h1dA1 TYR 4091 HB2 -0.88 0.06 0.08 -0.04 3.06 2.27 3h1dA1 TYR 4091 HB3 -0.63 -0.02 -0.06 -0.04 2.98 2.23 3h1dA1 TYR 4091 HD2 -0.34 0.02 -0.27 -0.04 7.15 6.52 3h1dA1 TYR 4091 HE2 -0.09 0.06 -0.08 -0.04 6.85 6.70 3h1dA1 THR 4092 H -0.02 0.89 0.35 -0.55 8.28 8.95 3h1dA1 THR 4092 HA -0.02 0.02 0.76 -0.75 4.39 4.40 3h1dA1 THR 4092 HB -0.01 -0.08 -0.03 -0.04 4.32 4.16 3h1dA1 THR 4092 HG23 -0.04 0.07 -0.18 -0.04 1.22 1.03 3h1dA1 ILE 4093 H -0.00 0.06 0.13 -0.55 8.25 7.89 3h1dA1 ILE 4093 HA -0.29 0.20 0.64 -0.75 4.18 3.97 3h1dA1 ILE 4093 HB -0.07 -0.05 0.10 -0.04 1.89 1.82 3h1dA1 ILE 4093 HG12 -0.25 0.10 0.02 -0.04 1.49 1.32 3h1dA1 ILE 4093 HG13 0.00 -0.07 0.04 -0.04 1.21 1.14 3h1dA1 ILE 4093 HG23 -0.29 0.00 -0.19 -0.04 0.93 0.41 3h1dA1 ILE 4093 HD13 -0.06 -0.02 -0.08 -0.04 0.88 0.68 3h1dA1 ASN 4094 H -0.06 0.68 0.20 -0.55 8.53 8.81 3h1dA1 ASN 4094 HA -0.01 0.10 0.55 -0.75 4.76 4.64 3h1dA1 ASN 4094 HB2 0.02 -0.05 -0.43 -0.04 2.88 2.38 3h1dA1 ASN 4094 HB3 0.06 0.22 -0.08 -0.04 2.79 2.95 3h1dA1 ASN 4094 HD21 -0.00 -0.04 -0.02 -0.04 7.03 6.92 3h1dA1 ASN 4094 HD22 0.02 0.38 0.01 -0.04 7.74 8.10 3h1dA1 PRO 4095 HA -0.04 0.10 0.41 -0.51 4.44 4.40 3h1dA1 PRO 4095 HB2 -0.03 -0.04 -0.04 -0.04 2.28 2.13 3h1dA1 PRO 4095 HB3 -0.04 0.09 0.10 -0.04 2.02 2.13 3h1dA1 PRO 4095 HG2 -0.04 -0.02 0.05 -0.04 2.03 1.99 3h1dA1 PRO 4095 HG3 -0.04 0.08 0.01 -0.04 2.03 2.04 3h1dA1 PRO 4095 HD2 -0.03 0.02 0.17 -0.04 3.68 3.80 3h1dA1 PRO 4095 HD3 -0.03 0.40 0.34 -0.04 3.65 4.31 3h1dA1 SER 4096 H -0.01 0.09 -0.56 -0.55 8.46 7.43 3h1dA1 SER 4096 HA -0.03 0.16 0.48 -0.75 4.49 4.34 3h1dA1 SER 4096 HB2 -0.02 0.04 0.01 -0.04 3.95 3.95 3h1dA1 SER 4096 HB3 -0.03 -0.01 0.04 -0.04 3.93 3.89 3h1dA1 ASN 4102 HA 0.12 0.03 0.22 -0.75 4.76 4.38 3h1dA1 ASN 4102 HB2 0.11 0.08 0.26 -0.04 2.88 3.28 3h1dA1 ASN 4102 HB3 0.09 0.04 0.12 -0.04 2.79 3.00 3h1dA1 ASN 4102 HD21 0.25 0.06 0.05 -0.04 7.03 7.35 3h1dA1 ASN 4102 HD22 0.15 0.00 0.10 -0.04 7.74 7.95 3h1dA1 HIS 4103 H 0.40 0.15 0.66 -0.55 8.41 9.08 3h1dA1 HIS 4103 HA 0.05 0.12 -0.01 -0.75 4.63 4.04 3h1dA1 HIS 4103 HB2 0.19 0.09 -0.09 -0.04 3.26 3.41 3h1dA1 HIS 4103 HB3 0.06 0.07 -2.31 -0.04 3.20 0.99 3h1dA1 HIS 4103 HD2 0.30 0.06 -0.02 -0.04 6.97 7.27 3h1dA1 HIS 4103 HE1 0.06 0.02 0.04 -0.04 7.75 7.83 3h1dA1 LEU 4104 H -0.58 0.12 0.05 -0.55 8.37 7.41 3h1dA1 LEU 4104 HA 0.16 0.06 0.43 -0.75 4.35 4.25 3h1dA1 LEU 4104 HB2 -0.10 0.02 0.06 -0.04 1.64 1.58 3h1dA1 LEU 4104 HB3 -0.01 0.05 0.02 -0.04 1.64 1.66 3h1dA1 LEU 4104 HG -0.76 -0.04 0.07 -0.04 1.64 0.88 3h1dA1 LEU 4104 HD13 -0.04 0.02 -0.00 -0.04 0.93 0.86 3h1dA1 LEU 4104 HD23 -0.07 0.03 -0.16 -0.04 0.89 0.64 3h1dA1 SER 4105 H 0.07 0.17 -0.34 -0.55 8.46 7.81 3h1dA1 SER 4105 HA 0.13 0.06 0.47 -0.75 4.49 4.40 3h1dA1 SER 4105 HB2 0.10 -0.02 0.05 -0.04 3.95 4.03 3h1dA1 SER 4105 HB3 0.07 0.20 0.06 -0.04 3.93 4.22 3h1dA1 TYR 4106 H 0.20 0.42 -0.13 -0.55 8.29 8.22 3h1dA1 TYR 4106 HA 0.02 0.03 0.53 -0.75 4.56 4.39 3h1dA1 TYR 4106 HB2 -0.13 0.12 0.12 -0.04 3.06 3.12 3h1dA1 TYR 4106 HB3 -0.07 -0.02 -0.06 -0.04 2.98 2.79 3h1dA1 TYR 4106 HD2 -0.33 0.17 -0.01 -0.04 7.15 6.94 3h1dA1 TYR 4106 HE2 -0.76 -0.03 -0.06 -0.04 6.85 5.96 3h1dA1 PHE 4107 H 0.23 0.55 -0.04 -0.55 8.34 8.53 3h1dA1 PHE 4107 HA 0.33 0.04 0.50 -0.75 4.62 4.73 3h1dA1 PHE 4107 HB2 0.12 0.06 0.19 -0.04 3.15 3.48 3h1dA1 PHE 4107 HB3 0.22 0.01 0.04 -0.04 3.06 3.30 3h1dA1 PHE 4107 HD2 0.11 -0.03 -0.08 -0.04 7.28 7.24 3h1dA1 PHE 4107 HE2 -0.27 0.03 0.02 -0.04 7.38 7.12 3h1dA1 PHE 4107 HZ -0.14 0.20 0.19 -0.04 7.32 7.53 3h1dA1 LYS 4108 H 0.27 0.49 -0.25 -0.55 8.42 8.38 3h1dA1 LYS 4108 HA 0.14 0.19 0.27 -0.75 4.32 4.16 3h1dA1 LYS 4108 HB2 0.14 -0.02 0.12 -0.04 1.87 2.07 3h1dA1 LYS 4108 HB3 0.18 0.15 0.14 -0.04 1.79 2.22 3h1dA1 LYS 4108 HG2 0.09 -0.02 -0.09 -0.04 1.46 1.40 3h1dA1 LYS 4108 HG3 0.08 0.01 0.08 -0.04 1.46 1.59 3h1dA1 LYS 4108 HD2 0.09 -0.07 0.01 -0.04 1.69 1.68 3h1dA1 LYS 4108 HD3 0.11 0.06 -0.02 -0.04 1.68 1.79 3h1dA1 LYS 4108 HE2 0.05 0.05 -0.08 -0.04 2.99 2.97 3h1dA1 LYS 4108 HE3 0.06 -0.05 -0.06 -0.04 2.99 2.89 3h1dA1 PHE 4109 H 0.31 0.43 -0.19 -0.55 8.34 8.34 3h1dA1 PHE 4109 HA 0.08 0.07 0.46 -0.75 4.62 4.48 3h1dA1 PHE 4109 HB2 0.13 0.04 0.13 -0.04 3.15 3.41 3h1dA1 PHE 4109 HB3 0.06 0.06 0.18 -0.04 3.06 3.32 3h1dA1 PHE 4109 HD2 0.00 0.05 -0.07 -0.04 7.28 7.22 3h1dA1 PHE 4109 HE2 -0.03 0.01 -0.14 -0.04 7.38 7.18 3h1dA1 PHE 4109 HZ 0.12 -0.05 -0.30 -0.04 7.32 7.05 3h1dA1 VAL 4110 H 0.30 0.56 -0.18 -0.55 8.24 8.38 3h1dA1 VAL 4110 HA 0.05 -0.00 0.48 -0.75 4.13 3.90 3h1dA1 VAL 4110 HB 0.57 0.08 0.17 -0.04 2.12 2.90 3h1dA1 VAL 4110 HG13 0.62 -0.01 -0.11 -0.04 0.97 1.43 3h1dA1 VAL 4110 HG23 0.52 0.02 -0.00 -0.04 0.95 1.45 3h1dA1 GLY 4111 H -0.00 0.55 -0.11 -0.55 8.43 8.32 3h1dA1 GLY 4111 HA2 -1.31 -0.04 0.43 -0.51 4.01 2.58 3h1dA1 GLY 4111 HA3 -0.75 0.26 0.43 -0.51 4.01 3.44 3h1dA1 ARG 4112 H -0.12 0.54 -0.19 -0.55 8.46 8.13 3h1dA1 ARG 4112 HA -0.13 0.17 0.38 -0.75 4.34 4.01 3h1dA1 ARG 4112 HB2 -0.03 0.02 0.10 -0.04 1.90 1.95 3h1dA1 ARG 4112 HB3 -0.10 0.07 0.17 -0.04 1.80 1.90 3h1dA1 ARG 4112 HG2 -0.08 -0.04 -0.30 -0.04 1.67 1.21 3h1dA1 ARG 4112 HG3 -0.05 -0.02 -0.06 -0.04 1.67 1.50 3h1dA1 ARG 4112 HD2 0.17 -0.05 -0.07 -0.04 3.22 3.23 3h1dA1 ARG 4112 HD3 0.08 -0.01 -0.12 -0.04 3.22 3.13 3h1dA1 ILE 4113 H -0.27 0.52 -0.20 -0.55 8.25 7.75 3h1dA1 ILE 4113 HA -0.03 0.02 0.35 -0.75 4.18 3.76 3h1dA1 ILE 4113 HB -0.14 0.10 0.13 -0.04 1.89 1.94 3h1dA1 ILE 4113 HG12 -1.16 0.31 0.04 -0.04 1.49 0.64 3h1dA1 ILE 4113 HG13 -0.58 -0.10 -0.07 -0.04 1.21 0.42 3h1dA1 ILE 4113 HG23 -0.05 -0.03 -0.17 -0.04 0.93 0.64 3h1dA1 ILE 4113 HD13 -0.02 -0.02 -0.09 -0.04 0.88 0.71 3h1dA1 VAL 4114 H 0.02 0.62 -0.13 -0.55 8.24 8.20 3h1dA1 VAL 4114 HA 0.13 -0.00 0.41 -0.75 4.13 3.91 3h1dA1 VAL 4114 HB 0.30 0.11 0.13 -0.04 2.12 2.62 3h1dA1 VAL 4114 HG13 0.43 -0.02 -0.09 -0.04 0.97 1.25 3h1dA1 VAL 4114 HG23 0.40 0.05 -0.00 -0.04 0.95 1.36 3h1dA1 ALA 4115 H -0.12 0.62 -0.12 -0.55 8.40 8.24 3h1dA1 ALA 4115 HA -0.42 -0.04 0.43 -0.75 4.34 3.56 3h1dA1 ALA 4115 HB3 -0.70 0.00 0.17 -0.04 1.41 0.84 3h1dA1 LYS 4116 H -0.03 0.57 -0.23 -0.55 8.42 8.17 3h1dA1 LYS 4116 HA 0.07 0.06 0.42 -0.75 4.32 4.12 3h1dA1 LYS 4116 HB2 0.04 0.05 0.07 -0.04 1.87 2.00 3h1dA1 LYS 4116 HB3 0.16 0.01 0.16 -0.04 1.79 2.09 3h1dA1 LYS 4116 HG2 0.22 -0.07 -0.03 -0.04 1.46 1.53 3h1dA1 LYS 4116 HG3 0.42 -0.08 -0.19 -0.04 1.46 1.57 3h1dA1 LYS 4116 HD2 0.22 -0.12 0.09 -0.04 1.69 1.84 3h1dA1 LYS 4116 HD3 0.03 0.13 0.07 -0.04 1.68 1.87 3h1dA1 LYS 4116 HE2 0.05 -0.04 0.03 -0.04 2.99 2.99 3h1dA1 LYS 4116 HE3 0.16 -0.23 -0.00 -0.04 2.99 2.88 3h1dA1 ALA 4117 H 0.11 0.61 -0.16 -0.55 8.40 8.41 3h1dA1 ALA 4117 HA -0.30 -0.09 0.30 -0.75 4.34 3.50 3h1dA1 ALA 4117 HB3 -0.14 0.06 0.03 -0.04 1.41 1.33 3h1dA1 VAL 4118 H 0.05 0.46 -0.09 -0.55 8.24 8.11 3h1dA1 VAL 4118 HA 0.06 0.05 0.44 -0.75 4.13 3.93 3h1dA1 VAL 4118 HB 0.12 0.11 0.14 -0.04 2.12 2.44 3h1dA1 VAL 4118 HG13 0.30 -0.03 -0.12 -0.04 0.97 1.08 3h1dA1 VAL 4118 HG23 0.15 0.04 0.00 -0.04 0.95 1.11 3h1dA1 TYR 4119 H 0.17 0.69 -0.17 -0.55 8.29 8.43 3h1dA1 TYR 4119 HA 0.02 -0.05 0.38 -0.75 4.56 4.17 3h1dA1 TYR 4119 HB2 -0.03 0.01 0.06 -0.04 3.06 3.06 3h1dA1 TYR 4119 HB3 0.01 0.11 0.16 -0.04 2.98 3.22 3h1dA1 TYR 4119 HD2 -0.02 0.01 -0.09 -0.04 7.15 7.00 3h1dA1 TYR 4119 HE2 -0.04 0.05 -0.00 -0.04 6.85 6.82 3h1dA1 ASP 4120 H 0.15 0.59 -0.19 -0.55 8.40 8.41 3h1dA1 ASP 4120 HA 0.01 0.04 0.50 -0.75 4.63 4.43 3h1dA1 ASP 4120 HB2 0.11 0.12 0.11 -0.04 2.71 3.01 3h1dA1 ASP 4120 HB3 0.14 -0.16 0.00 -0.04 2.70 2.63 3h1dA1 ASN 4121 H 0.01 0.42 -0.55 -0.55 8.53 7.86 3h1dA1 ASN 4121 HA 0.00 0.05 0.32 -0.75 4.76 4.39 3h1dA1 ASN 4121 HB2 -0.02 0.02 -0.11 -0.04 2.88 2.73 3h1dA1 ASN 4121 HB3 -0.02 0.11 0.21 -0.04 2.79 3.06 3h1dA1 ASN 4121 HD21 0.00 -0.10 0.04 -0.04 7.03 6.93 3h1dA1 ASN 4121 HD22 -0.01 -0.00 0.07 -0.04 7.74 7.75 3h1dA1 ARG 4122 H -0.11 0.74 0.03 -0.55 8.46 8.57 3h1dA1 ARG 4122 HA -0.07 0.05 0.74 -0.75 4.34 4.31 3h1dA1 ARG 4122 HB2 -0.68 0.02 -0.03 -0.04 1.90 1.17 3h1dA1 ARG 4122 HB3 -0.29 -0.07 -0.00 -0.04 1.80 1.39 3h1dA1 ARG 4122 HG2 0.01 0.24 -0.58 -0.04 1.67 1.30 3h1dA1 ARG 4122 HG3 0.18 -0.08 -0.12 -0.04 1.67 1.60 3h1dA1 ARG 4122 HD2 0.13 -0.13 -0.02 -0.04 3.22 3.16 3h1dA1 ARG 4122 HD3 0.03 0.12 0.08 -0.04 3.22 3.40 3h1dA1 LEU 4123 H -0.09 0.01 0.08 -0.55 8.37 7.83 3h1dA1 LEU 4123 HA -0.10 0.42 0.61 -0.75 4.35 4.52 3h1dA1 LEU 4123 HB2 -0.04 -0.14 -0.03 -0.04 1.64 1.39 3h1dA1 LEU 4123 HB3 -0.06 0.13 -0.14 -0.04 1.64 1.53 3h1dA1 LEU 4123 HG -0.03 -0.08 -0.14 -0.04 1.64 1.35 3h1dA1 LEU 4123 HD13 0.00 0.00 -0.13 -0.04 0.93 0.76 3h1dA1 LEU 4123 HD23 -0.02 0.02 -0.36 -0.04 0.89 0.49 3h1dA1 LEU 4124 H -0.10 0.71 0.28 -0.55 8.37 8.71 3h1dA1 LEU 4124 HA -0.11 0.11 0.75 -0.75 4.35 4.35 3h1dA1 LEU 4124 HB2 -0.09 0.03 0.07 -0.04 1.64 1.61 3h1dA1 LEU 4124 HB3 -0.17 -0.05 -0.07 -0.04 1.64 1.31 3h1dA1 LEU 4124 HG -0.08 0.08 -0.09 -0.04 1.64 1.51 3h1dA1 LEU 4124 HD13 0.03 0.00 -0.09 -0.04 0.93 0.83 3h1dA1 LEU 4124 HD23 0.00 0.02 -0.07 -0.04 0.89 0.80 3h1dA1 GLU 4125 H -0.15 0.16 -0.03 -0.55 8.60 8.03 3h1dA1 GLU 4125 HA -0.18 0.16 0.53 -0.75 4.29 4.05 3h1dA1 GLU 4125 HB2 -0.11 -0.01 0.14 -0.04 2.09 2.07 3h1dA1 GLU 4125 HB3 -0.02 -0.00 0.13 -0.04 1.99 2.06 3h1dA1 GLU 4125 HG2 -0.01 -0.04 0.00 -0.04 2.34 2.25 3h1dA1 GLU 4125 HG3 -0.01 0.08 -0.06 -0.04 2.34 2.31 3h1dA1 CYS 4126 H -0.42 0.59 -0.37 -0.55 8.50 7.76 3h1dA1 CYS 4126 HA -0.51 0.17 0.78 -0.75 4.58 4.27 3h1dA1 CYS 4126 HB2 -0.41 -0.01 -0.06 -0.04 2.97 2.44 3h1dA1 CYS 4126 HB3 -1.01 0.01 -0.15 -0.04 2.97 1.79 3h1dA1 TYR 4127 H 0.13 0.28 0.11 -0.55 8.29 8.27 3h1dA1 TYR 4127 HA 0.04 0.12 0.88 -0.75 4.56 4.85 3h1dA1 TYR 4127 HB2 0.05 0.21 0.00 -0.04 3.06 3.28 3h1dA1 TYR 4127 HB3 0.08 0.00 -0.03 -0.04 2.98 2.99 3h1dA1 TYR 4127 HD2 0.04 0.03 -0.07 -0.04 7.15 7.10 3h1dA1 TYR 4127 HE2 -0.01 0.00 -0.19 -0.04 6.85 6.62 3h1dA1 PHE 4128 H 0.29 0.14 0.16 -0.55 8.34 8.38 3h1dA1 PHE 4128 HA -0.10 0.31 1.01 -0.75 4.62 5.08 3h1dA1 PHE 4128 HB2 -0.92 -0.02 0.02 -0.04 3.15 2.19 3h1dA1 PHE 4128 HB3 -0.44 -0.08 0.19 -0.04 3.06 2.69 3h1dA1 PHE 4128 HD2 -0.37 0.01 -0.09 -0.04 7.28 6.80 3h1dA1 PHE 4128 HE2 -0.34 0.04 -0.13 -0.04 7.38 6.91 3h1dA1 PHE 4128 HZ -0.07 0.03 -0.13 -0.04 7.32 7.10 3h1dA1 THR 4129 H 0.05 0.24 0.23 -0.55 8.28 8.25 3h1dA1 THR 4129 HA 0.09 0.23 0.61 -0.75 4.39 4.57 3h1dA1 THR 4129 HB 0.05 -0.10 0.03 -0.04 4.32 4.26 3h1dA1 THR 4129 HG23 0.01 0.11 -0.11 -0.04 1.22 1.20 3h1dA1 ARG 4130 H 0.10 0.21 0.15 -0.55 8.46 8.37 3h1dA1 ARG 4130 HA 0.31 0.13 0.37 -0.75 4.34 4.39 3h1dA1 ARG 4130 HB2 0.06 -0.04 0.21 -0.04 1.90 2.08 3h1dA1 ARG 4130 HB3 0.07 -0.00 0.02 -0.04 1.80 1.84 3h1dA1 ARG 4130 HG2 0.10 0.08 0.12 -0.04 1.67 1.93 3h1dA1 ARG 4130 HG3 0.05 0.04 0.05 -0.04 1.67 1.76 3h1dA1 ARG 4130 HD2 0.10 -0.07 -0.01 -0.04 3.22 3.20 3h1dA1 ARG 4130 HD3 0.28 -0.02 -0.02 -0.04 3.22 3.42 3h1dA1 SER 4131 H 0.06 0.12 -0.08 -0.55 8.46 8.01 3h1dA1 SER 4131 HA -0.05 0.06 0.42 -0.75 4.49 4.17 3h1dA1 SER 4131 HB2 -0.07 0.07 0.06 -0.04 3.95 3.96 3h1dA1 SER 4131 HB3 0.01 -0.05 0.08 -0.04 3.93 3.93 3h1dA1 PHE 4132 H 0.15 0.08 -0.33 -0.55 8.34 7.68 3h1dA1 PHE 4132 HA 0.03 0.10 0.56 -0.75 4.62 4.55 3h1dA1 PHE 4132 HB2 -0.06 -0.06 0.17 -0.04 3.15 3.15 3h1dA1 PHE 4132 HB3 -0.29 0.11 0.13 -0.04 3.06 2.97 3h1dA1 PHE 4132 HD2 -0.53 -0.01 -0.05 -0.04 7.28 6.65 3h1dA1 PHE 4132 HE2 -1.00 0.02 -0.05 -0.04 7.38 6.31 3h1dA1 PHE 4132 HZ -2.05 0.03 -0.06 -0.04 7.32 5.20 3h1dA1 TYR 4133 H -0.04 0.43 -0.08 -0.55 8.29 8.05 3h1dA1 TYR 4133 HA -0.08 0.07 0.48 -0.75 4.56 4.27 3h1dA1 TYR 4133 HB2 0.05 0.03 0.13 -0.04 3.06 3.24 3h1dA1 TYR 4133 HB3 0.03 -0.02 0.03 -0.04 2.98 2.98 3h1dA1 TYR 4133 HD2 0.09 -0.03 -0.11 -0.04 7.15 7.06 3h1dA1 TYR 4133 HE2 0.26 0.12 -0.06 -0.04 6.85 7.12 3h1dA1 LYS 4134 H 0.06 0.50 -0.11 -0.55 8.42 8.32 3h1dA1 LYS 4134 HA 0.02 -0.00 0.43 -0.75 4.32 4.01 3h1dA1 LYS 4134 HB2 -0.13 0.05 0.08 -0.04 1.87 1.83 3h1dA1 LYS 4134 HB3 -0.08 0.09 -0.16 -0.04 1.79 1.59 3h1dA1 LYS 4134 HG2 0.02 -0.05 -0.00 -0.04 1.46 1.38 3h1dA1 LYS 4134 HG3 0.03 0.10 -0.00 -0.04 1.46 1.54 3h1dA1 LYS 4134 HD2 -0.04 -0.11 -0.08 -0.04 1.69 1.42 3h1dA1 LYS 4134 HD3 -0.02 0.11 -0.22 -0.04 1.68 1.51 3h1dA1 LYS 4134 HE2 0.01 -0.01 -0.02 -0.04 2.99 2.93 3h1dA1 LYS 4134 HE3 0.00 -0.06 -0.04 -0.04 2.99 2.85 3h1dA1 HIS 4135 H -0.16 0.51 -0.20 -0.55 8.41 8.01 3h1dA1 HIS 4135 HA -0.04 0.02 0.46 -0.75 4.63 4.31 3h1dA1 HIS 4135 HB2 -0.36 0.14 0.23 -0.04 3.26 3.23 3h1dA1 HIS 4135 HB3 -0.20 -0.04 -0.00 -0.04 3.20 2.91 3h1dA1 HIS 4135 HD2 -0.05 -0.09 -0.03 -0.04 6.97 6.75 3h1dA1 HIS 4135 HE1 0.00 -0.10 -0.01 -0.04 7.75 7.60 3h1dA1 ILE 4136 H -0.20 0.42 -0.15 -0.55 8.25 7.78 3h1dA1 ILE 4136 HA -0.18 -0.00 0.36 -0.75 4.18 3.61 3h1dA1 ILE 4136 HB -0.14 0.12 0.15 -0.04 1.89 1.98 3h1dA1 ILE 4136 HG12 -0.43 -0.04 0.01 -0.04 1.49 0.98 3h1dA1 ILE 4136 HG13 -0.65 0.15 0.08 -0.04 1.21 0.75 3h1dA1 ILE 4136 HG23 -0.55 -0.01 -0.12 -0.04 0.93 0.21 3h1dA1 ILE 4136 HD13 -0.31 -0.02 -0.06 -0.04 0.88 0.45 3h1dA1 LEU 4137 H 0.02 0.43 -0.25 -0.55 8.37 8.03 3h1dA1 LEU 4137 HA 0.12 0.06 0.29 -0.75 4.35 4.06 3h1dA1 LEU 4137 HB2 0.05 -0.06 0.06 -0.04 1.64 1.65 3h1dA1 LEU 4137 HB3 0.07 0.00 0.05 -0.04 1.64 1.73 3h1dA1 LEU 4137 HG 0.08 0.16 -0.06 -0.04 1.64 1.79 3h1dA1 LEU 4137 HD13 0.08 -0.02 -0.35 -0.04 0.93 0.60 3h1dA1 LEU 4137 HD23 0.16 0.00 -0.17 -0.04 0.89 0.83 3h1dA1 GLY 4138 H 0.10 0.47 -0.64 -0.55 8.43 7.81 3h1dA1 GLY 4138 HA2 0.09 0.02 0.27 -0.51 4.01 3.88 3h1dA1 GLY 4138 HA3 0.06 -0.02 0.51 -0.51 4.01 4.06 3h1dA1 LYS 4139 H 0.02 0.60 -0.09 -0.55 8.42 8.40 3h1dA1 LYS 4139 HA 0.02 0.13 0.74 -0.75 4.32 4.46 3h1dA1 LYS 4139 HB2 0.00 -0.07 0.01 -0.04 1.87 1.77 3h1dA1 LYS 4139 HB3 0.01 -0.03 -0.03 -0.04 1.79 1.69 3h1dA1 LYS 4139 HG2 0.02 0.01 -0.09 -0.04 1.46 1.36 3h1dA1 LYS 4139 HG3 0.04 0.15 -0.27 -0.04 1.46 1.33 3h1dA1 LYS 4139 HD2 0.04 0.13 -0.01 -0.04 1.69 1.80 3h1dA1 LYS 4139 HD3 0.03 -0.10 -0.02 -0.04 1.68 1.55 3h1dA1 LYS 4139 HE2 0.02 -0.04 -0.01 -0.04 2.99 2.91 3h1dA1 LYS 4139 HE3 0.02 0.03 -0.00 -0.04 2.99 2.99 3h1dA1 SER 4140 H 0.01 0.11 0.10 -0.55 8.46 8.14 3h1dA1 SER 4140 HA 0.02 0.06 0.50 -0.75 4.49 4.31 3h1dA1 SER 4140 HB2 0.02 -0.05 0.06 -0.04 3.95 3.93 3h1dA1 SER 4140 HB3 0.04 0.03 -0.04 -0.04 3.93 3.93 3h1dA1 VAL 4141 H -0.01 0.15 0.15 -0.55 8.24 7.99 3h1dA1 VAL 4141 HA -0.04 0.04 0.58 -0.75 4.13 3.96 3h1dA1 VAL 4141 HB 0.01 -0.02 0.06 -0.04 2.12 2.13 3h1dA1 VAL 4141 HG13 -0.00 -0.01 -0.12 -0.04 0.97 0.80 3h1dA1 VAL 4141 HG23 -0.34 0.05 0.01 -0.04 0.95 0.63 3h1dA1 ARG 4142 H 0.01 0.11 0.17 -0.55 8.46 8.20 3h1dA1 ARG 4142 HA 0.14 0.27 0.84 -0.75 4.34 4.83 3h1dA1 ARG 4142 HB2 -0.03 -0.12 0.02 -0.04 1.90 1.72 3h1dA1 ARG 4142 HB3 0.05 -0.03 0.11 -0.04 1.80 1.89 3h1dA1 ARG 4142 HG2 0.02 0.14 -0.19 -0.04 1.67 1.60 3h1dA1 ARG 4142 HG3 0.01 0.03 -0.03 -0.04 1.67 1.63 3h1dA1 ARG 4142 HD2 0.07 -0.06 -0.03 -0.04 3.22 3.16 3h1dA1 ARG 4142 HD3 0.06 0.09 -0.30 -0.04 3.22 3.03 3h1dA1 TYR 4143 H 0.33 0.23 0.14 -0.55 8.29 8.44 3h1dA1 TYR 4143 HA 0.16 0.12 0.32 -0.75 4.56 4.40 3h1dA1 TYR 4143 HB2 0.19 0.05 0.05 -0.04 3.06 3.31 3h1dA1 TYR 4143 HB3 0.16 0.05 0.07 -0.04 2.98 3.21 3h1dA1 TYR 4143 HD2 0.17 -0.01 -0.06 -0.04 7.15 7.20 3h1dA1 TYR 4143 HE2 0.07 0.04 -0.06 -0.04 6.85 6.86 3h1dA1 THR 4144 H -0.48 0.09 -0.27 -0.55 8.28 7.08 3h1dA1 THR 4144 HA -0.23 0.12 0.51 -0.75 4.39 4.04 3h1dA1 THR 4144 HB -0.20 0.07 0.05 -0.04 4.32 4.20 3h1dA1 THR 4144 HG23 -0.47 0.01 0.02 -0.04 1.22 0.75 3h1dA1 ASP 4145 H -0.05 0.55 -0.36 -0.55 8.40 7.99 3h1dA1 ASP 4145 HA -0.06 0.09 0.45 -0.75 4.63 4.36 3h1dA1 ASP 4145 HB2 0.01 0.25 0.12 -0.04 2.71 3.05 3h1dA1 ASP 4145 HB3 -0.00 -0.10 0.10 -0.04 2.70 2.66 3h1dA1 MET 4146 H 0.05 0.47 -0.52 -0.55 8.47 7.92 3h1dA1 MET 4146 HA 0.09 0.02 0.43 -0.75 4.52 4.31 3h1dA1 MET 4146 HB2 0.26 0.00 0.12 -0.04 2.15 2.50 3h1dA1 MET 4146 HB3 0.41 0.13 0.10 -0.04 2.03 2.63 3h1dA1 MET 4146 HG2 0.58 -0.01 -0.07 -0.04 2.63 3.09 3h1dA1 MET 4146 HG3 0.34 0.01 -0.01 -0.04 2.56 2.86 3h1dA1 MET 4146 HE3 0.14 0.02 0.02 -0.04 2.10 2.24 3h1dA1 GLU 4147 H -0.31 0.37 -0.32 -0.55 8.60 7.79 3h1dA1 GLU 4147 HA -0.11 -0.00 0.41 -0.75 4.29 3.83 3h1dA1 GLU 4147 HB2 -1.29 -0.02 0.13 -0.04 2.09 0.87 3h1dA1 GLU 4147 HB3 -0.35 0.13 0.09 -0.04 1.99 1.81 3h1dA1 GLU 4147 HG2 -0.10 0.02 -0.02 -0.04 2.34 2.21 3h1dA1 GLU 4147 HG3 -0.00 -0.08 0.11 -0.04 2.34 2.33 3h1dA1 SER 4148 H -0.05 0.29 -0.35 -0.55 8.46 7.80 3h1dA1 SER 4148 HA -0.02 0.20 0.77 -0.75 4.49 4.68 3h1dA1 SER 4148 HB2 0.00 0.07 0.12 -0.04 3.95 4.10 3h1dA1 SER 4148 HB3 0.01 0.02 0.22 -0.04 3.93 4.14 3h1dA1 GLU 4149 H 0.03 0.22 0.07 -0.55 8.60 8.37 3h1dA1 GLU 4149 HA 0.02 0.04 0.48 -0.75 4.29 4.07 3h1dA1 GLU 4149 HB2 0.05 0.01 0.16 -0.04 2.09 2.27 3h1dA1 GLU 4149 HB3 0.01 0.04 0.04 -0.04 1.99 2.05 3h1dA1 GLU 4149 HG2 0.04 -0.02 0.10 -0.04 2.34 2.41 3h1dA1 GLU 4149 HG3 0.04 0.00 -0.02 -0.04 2.34 2.33 3h1dA1 ASP 4150 H 0.08 0.53 -0.30 -0.55 8.40 8.17 3h1dA1 ASP 4150 HA 0.09 0.21 0.70 -0.75 4.63 4.87 3h1dA1 ASP 4150 HB2 0.03 0.18 -0.40 -0.04 2.71 2.48 3h1dA1 ASP 4150 HB3 0.12 -0.06 0.07 -0.04 2.70 2.78 3h1dA1 TYR 4151 H 0.15 0.32 0.09 -0.55 8.29 8.30 3h1dA1 TYR 4151 HA 0.07 0.07 0.35 -0.75 4.56 4.31 3h1dA1 TYR 4151 HB2 -0.11 0.18 0.16 -0.04 3.06 3.24 3h1dA1 TYR 4151 HB3 -0.21 0.00 0.16 -0.04 2.98 2.89 3h1dA1 TYR 4151 HD2 -0.37 0.02 -0.01 -0.04 7.15 6.75 3h1dA1 TYR 4151 HE2 0.05 0.03 -0.03 -0.04 6.85 6.86 3h1dA1 HIS 4152 H 0.12 0.16 -0.09 -0.55 8.41 8.05 3h1dA1 HIS 4152 HA -0.17 0.09 0.42 -0.75 4.63 4.22 3h1dA1 HIS 4152 HB2 0.10 -0.00 0.02 -0.04 3.26 3.34 3h1dA1 HIS 4152 HB3 0.05 0.04 -0.03 -0.04 3.20 3.21 3h1dA1 HIS 4152 HD2 0.10 0.02 0.01 -0.04 6.97 7.04 3h1dA1 HIS 4152 HE1 0.18 0.03 -0.01 -0.04 7.75 7.91 3h1dA1 PHE 4153 H 0.30 0.18 -0.31 -0.55 8.34 7.96 3h1dA1 PHE 4153 HA 0.06 0.07 0.53 -0.75 4.62 4.53 3h1dA1 PHE 4153 HB2 0.08 -0.01 0.07 -0.04 3.15 3.26 3h1dA1 PHE 4153 HB3 0.11 0.17 0.08 -0.04 3.06 3.38 3h1dA1 PHE 4153 HD2 0.11 0.01 -0.08 -0.04 7.28 7.27 3h1dA1 PHE 4153 HE2 0.13 0.00 -0.02 -0.04 7.38 7.44 3h1dA1 PHE 4153 HZ 0.16 -0.01 0.01 -0.04 7.32 7.44 3h1dA1 TYR 4154 H 0.29 0.52 -0.13 -0.55 8.29 8.42 3h1dA1 TYR 4154 HA 0.12 -0.01 0.37 -0.75 4.56 4.29 3h1dA1 TYR 4154 HB2 0.12 0.01 -0.30 -0.04 3.06 2.84 3h1dA1 TYR 4154 HB3 -0.02 0.17 0.10 -0.04 2.98 3.19 3h1dA1 TYR 4154 HD2 0.07 0.06 -0.05 -0.04 7.15 7.19 3h1dA1 TYR 4154 HE2 0.03 -0.02 -0.06 -0.04 6.85 6.76 3h1dA1 GLN 4155 H -0.14 0.57 -0.16 -0.55 8.47 8.19 3h1dA1 GLN 4155 HA -0.22 0.00 0.44 -0.75 4.36 3.83 3h1dA1 GLN 4155 HB2 -0.18 0.18 0.15 -0.04 2.15 2.26 3h1dA1 GLN 4155 HB3 -0.11 -0.03 -0.02 -0.04 2.02 1.82 3h1dA1 GLN 4155 HG2 -0.67 0.06 0.06 -0.04 2.40 1.81 3h1dA1 GLN 4155 HG3 -0.55 -0.03 -0.00 -0.04 2.39 1.76 3h1dA1 GLN 4155 HE21 0.03 -0.00 -0.01 -0.04 6.97 6.95 3h1dA1 GLN 4155 HE22 0.00 0.01 -0.01 -0.04 7.69 7.65 3h1dA1 GLY 4156 H -0.16 0.36 -0.37 -0.55 8.43 7.72 3h1dA1 GLY 4156 HA2 -0.13 0.03 0.49 -0.51 4.01 3.89 3h1dA1 GLY 4156 HA3 -0.23 0.08 0.31 -0.51 4.01 3.66 3h1dA1 LEU 4157 H -0.27 0.53 -0.02 -0.55 8.37 8.06 3h1dA1 LEU 4157 HA -0.17 0.01 0.53 -0.75 4.35 3.97 3h1dA1 LEU 4157 HB2 -0.09 0.15 0.14 -0.04 1.64 1.79 3h1dA1 LEU 4157 HB3 -0.03 -0.07 0.03 -0.04 1.64 1.52 3h1dA1 LEU 4157 HG -0.34 0.18 0.05 -0.04 1.64 1.49 3h1dA1 LEU 4157 HD13 0.39 -0.02 -0.01 -0.04 0.93 1.25 3h1dA1 LEU 4157 HD23 0.09 -0.02 0.01 -0.04 0.89 0.93 3h1dA1 VAL 4158 H -0.30 0.59 -0.20 -0.55 8.24 7.78 3h1dA1 VAL 4158 HA -0.15 -0.01 0.39 -0.75 4.13 3.60 3h1dA1 VAL 4158 HB -0.21 0.13 0.16 -0.04 2.12 2.16 3h1dA1 VAL 4158 HG13 -0.05 -0.01 -0.13 -0.04 0.97 0.73 3h1dA1 VAL 4158 HG23 -0.62 0.04 -0.01 -0.04 0.95 0.32 3h1dA1 TYR 4159 H -0.01 0.49 -0.19 -0.55 8.29 8.02 3h1dA1 TYR 4159 HA -0.09 0.00 0.34 -0.75 4.56 4.06 3h1dA1 TYR 4159 HB2 -0.10 0.06 0.13 -0.04 3.06 3.12 3h1dA1 TYR 4159 HB3 -0.12 0.09 0.15 -0.04 2.98 3.06 3h1dA1 TYR 4159 HD2 -0.07 0.01 -0.15 -0.04 7.15 6.89 3h1dA1 TYR 4159 HE2 -0.05 -0.01 -0.07 -0.04 6.85 6.68 3h1dA1 LEU 4160 H -0.03 0.55 -0.17 -0.55 8.37 8.17 3h1dA1 LEU 4160 HA -0.07 0.01 0.35 -0.75 4.35 3.88 3h1dA1 LEU 4160 HB2 -0.19 -0.01 0.09 -0.04 1.64 1.49 3h1dA1 LEU 4160 HB3 -0.17 0.10 0.17 -0.04 1.64 1.69 3h1dA1 LEU 4160 HG -0.17 0.00 -0.30 -0.04 1.64 1.13 3h1dA1 LEU 4160 HD13 -0.19 -0.01 0.02 -0.04 0.93 0.71 3h1dA1 LEU 4160 HD23 -0.57 -0.03 -0.04 -0.04 0.89 0.22 3h1dA1 LEU 4161 H -0.14 0.51 -0.25 -0.55 8.37 7.95 3h1dA1 LEU 4161 HA -0.12 -0.03 0.34 -0.75 4.35 3.79 3h1dA1 LEU 4161 HB2 -0.13 0.11 0.13 -0.04 1.64 1.70 3h1dA1 LEU 4161 HB3 -0.12 -0.07 0.01 -0.04 1.64 1.42 3h1dA1 LEU 4161 HG -0.19 0.13 0.03 -0.04 1.64 1.57 3h1dA1 LEU 4161 HD13 -0.52 -0.03 -0.05 -0.04 0.93 0.29 3h1dA1 LEU 4161 HD23 -0.15 -0.02 -0.08 -0.04 0.89 0.60 3h1dA1 GLU 4162 H -0.16 0.43 -0.22 -0.55 8.60 8.10 3h1dA1 GLU 4162 HA -0.10 0.05 0.49 -0.75 4.29 3.99 3h1dA1 GLU 4162 HB2 -0.17 0.12 0.09 -0.04 2.09 2.09 3h1dA1 GLU 4162 HB3 -0.13 -0.08 0.04 -0.04 1.99 1.79 3h1dA1 GLU 4162 HG2 -0.05 -0.04 -0.01 -0.04 2.34 2.20 3h1dA1 GLU 4162 HG3 -0.06 0.04 0.01 -0.04 2.34 2.28 3h1dA1 ASN 4163 H -0.23 0.40 -0.24 -0.55 8.53 7.92 3h1dA1 ASN 4163 HA -0.18 0.11 0.93 -0.75 4.76 4.86 3h1dA1 ASN 4163 HB2 -0.46 0.12 -0.01 -0.04 2.88 2.50 3h1dA1 ASN 4163 HB3 -0.27 -0.05 -0.06 -0.04 2.79 2.37 3h1dA1 ASN 4163 HD21 -0.86 -0.07 -0.05 -0.04 7.03 6.01 3h1dA1 ASN 4163 HD22 -1.43 0.28 0.06 -0.04 7.74 6.61 3h1dA1 ASP 4164 H -0.11 0.14 0.12 -0.55 8.40 8.00 3h1dA1 ASP 4164 HA -0.08 0.05 0.49 -0.75 4.63 4.33 3h1dA1 ASP 4164 HB2 -0.07 0.10 0.14 -0.04 2.71 2.84 3h1dA1 ASP 4164 HB3 -0.07 0.02 0.18 -0.04 2.70 2.79 3h1dA1 VAL 4165 H -0.08 0.17 0.23 -0.55 8.24 8.01 3h1dA1 VAL 4165 HA -0.13 0.15 0.41 -0.75 4.13 3.82 3h1dA1 VAL 4165 HB -0.11 0.01 0.15 -0.04 2.12 2.13 3h1dA1 VAL 4165 HG13 -0.10 0.04 0.03 -0.04 0.97 0.90 3h1dA1 VAL 4165 HG23 -0.05 0.00 -0.06 -0.04 0.95 0.80 3h1dA1 SER 4166 H -0.07 0.04 -0.31 -0.55 8.46 7.57 3h1dA1 SER 4166 HA -0.06 0.13 0.41 -0.75 4.49 4.21 3h1dA1 SER 4166 HB2 -0.04 0.02 -0.01 -0.04 3.95 3.87 3h1dA1 SER 4166 HB3 -0.03 0.05 0.12 -0.04 3.93 4.03 3h1dA1 THR 4167 H -0.08 0.43 -0.46 -0.55 8.28 7.61 3h1dA1 THR 4167 HA -0.05 0.23 0.98 -0.75 4.39 4.80 3h1dA1 THR 4167 HB -0.04 0.01 0.15 -0.04 4.32 4.40 3h1dA1 THR 4167 HG23 -0.04 -0.03 -0.09 -0.04 1.22 1.01 3h1dA1 LEU 4168 H -0.16 0.39 -0.16 -0.55 8.37 7.89 3h1dA1 LEU 4168 HA -0.12 0.10 0.47 -0.75 4.35 4.05 3h1dA1 LEU 4168 HB2 -0.57 0.18 0.20 -0.04 1.64 1.41 3h1dA1 LEU 4168 HB3 -1.06 -0.05 0.00 -0.04 1.64 0.49 3h1dA1 LEU 4168 HG -0.19 -0.01 0.07 -0.04 1.64 1.46 3h1dA1 LEU 4168 HD13 -0.32 0.01 0.03 -0.04 0.93 0.61 3h1dA1 LEU 4168 HD23 -0.03 0.00 -0.07 -0.04 0.89 0.75 3h1dA1 GLY 4169 H -0.11 0.14 -0.20 -0.55 8.43 7.71 3h1dA1 GLY 4169 HA2 0.01 0.00 0.26 -0.51 4.01 3.77 3h1dA1 GLY 4169 HA3 0.07 0.19 0.77 -0.51 4.01 4.53 3h1dA1 TYR 4170 H -0.34 0.16 -0.11 -0.55 8.29 7.45 3h1dA1 TYR 4170 HA -0.00 0.11 0.45 -0.75 4.56 4.36 3h1dA1 TYR 4170 HB2 -0.00 -0.04 0.12 -0.04 3.06 3.10 3h1dA1 TYR 4170 HB3 -0.01 0.14 -0.12 -0.04 2.98 2.95 3h1dA1 TYR 4170 HD2 -0.01 0.07 -0.36 -0.04 7.15 6.80 3h1dA1 TYR 4170 HE2 -0.02 0.03 -0.12 -0.04 6.85 6.70 3h1dA1 ASP 4171 H 0.18 0.21 0.17 -0.55 8.40 8.41 3h1dA1 ASP 4171 HA -0.03 0.22 1.04 -0.75 4.63 5.10 3h1dA1 ASP 4171 HB2 0.06 -0.05 0.06 -0.04 2.71 2.74 3h1dA1 ASP 4171 HB3 0.03 0.10 0.07 -0.04 2.70 2.86 3h1dA1 LEU 4172 H 0.01 0.18 0.22 -0.55 8.37 8.24 3h1dA1 LEU 4172 HA 0.12 0.29 1.07 -0.75 4.35 5.07 3h1dA1 LEU 4172 HB2 -0.02 -0.04 0.16 -0.04 1.64 1.70 3h1dA1 LEU 4172 HB3 0.06 0.00 0.00 -0.04 1.64 1.66 3h1dA1 LEU 4172 HG 0.07 0.18 0.11 -0.04 1.64 1.96 3h1dA1 LEU 4172 HD13 0.14 -0.00 -0.15 -0.04 0.93 0.87 3h1dA1 LEU 4172 HD23 -0.29 -0.01 -0.01 -0.04 0.89 0.53 3h1dA1 THR 4173 H 0.14 0.60 0.23 -0.55 8.28 8.70 3h1dA1 THR 4173 HA 0.08 0.31 0.84 -0.75 4.39 4.86 3h1dA1 THR 4173 HB 0.03 -0.01 -0.30 -0.04 4.32 3.99 3h1dA1 THR 4173 HG23 0.04 -0.00 -0.42 -0.04 1.22 0.79 3h1dA1 PHE 4174 H 0.06 0.67 0.19 -0.55 8.34 8.70 3h1dA1 PHE 4174 HA -0.12 0.25 0.88 -0.75 4.62 4.86 3h1dA1 PHE 4174 HB2 -0.32 -0.03 -0.08 -0.04 3.15 2.69 3h1dA1 PHE 4174 HB3 -0.64 0.00 0.08 -0.04 3.06 2.46 3h1dA1 PHE 4174 HD2 -0.41 -0.05 -0.23 -0.04 7.28 6.55 3h1dA1 PHE 4174 HE2 -0.04 0.03 -0.17 -0.04 7.38 7.15 3h1dA1 PHE 4174 HZ 0.02 0.05 -0.07 -0.04 7.32 7.27 3h1dA1 SER 4175 H -0.53 0.68 0.21 -0.55 8.46 8.27 3h1dA1 SER 4175 HA -0.20 0.30 0.92 -0.75 4.49 4.76 3h1dA1 SER 4175 HB2 -0.16 0.07 0.04 -0.04 3.95 3.86 3h1dA1 SER 4175 HB3 -0.31 -0.06 0.19 -0.04 3.93 3.71 3h1dA1 THR 4176 H -0.11 0.54 0.32 -0.55 8.28 8.48 3h1dA1 THR 4176 HA -0.00 0.08 0.44 -0.75 4.39 4.15 3h1dA1 THR 4176 HB 0.09 -0.01 0.11 -0.04 4.32 4.47 3h1dA1 THR 4176 HG23 0.16 -0.00 0.02 -0.04 1.22 1.36 3h1dA1 GLU 4177 H -0.10 0.06 -0.05 -0.55 8.60 7.96 3h1dA1 GLU 4177 HA -0.04 0.15 0.51 -0.75 4.29 4.16 3h1dA1 GLU 4177 HB2 -0.07 -0.07 0.09 -0.04 2.09 2.00 3h1dA1 GLU 4177 HB3 -0.05 0.06 0.00 -0.04 1.99 1.96 3h1dA1 GLU 4177 HG2 -0.02 0.05 0.02 -0.04 2.34 2.35 3h1dA1 GLU 4177 HG3 -0.03 -0.04 0.05 -0.04 2.34 2.27 3h1dA1 VAL 4178 H -0.18 -0.03 -0.15 -0.55 8.24 7.32 3h1dA1 VAL 4178 HA -0.08 0.34 1.03 -0.75 4.13 4.66 3h1dA1 VAL 4178 HB -0.08 0.06 0.06 -0.04 2.12 2.11 3h1dA1 VAL 4178 HG13 -0.06 -0.00 -0.13 -0.04 0.97 0.73 3h1dA1 VAL 4178 HG23 -0.14 -0.04 -0.12 -0.04 0.95 0.61 3h1dA1 GLN 4179 H -0.36 0.30 -0.14 -0.55 8.47 7.72 3h1dA1 GLN 4179 HA -0.94 0.08 0.32 -0.75 4.36 3.07 3h1dA1 GLN 4179 HB2 -0.04 0.11 0.01 -0.04 2.15 2.18 3h1dA1 GLN 4179 HB3 0.11 -0.04 0.04 -0.04 2.02 2.09 3h1dA1 GLN 4179 HG2 -0.01 0.06 -0.02 -0.04 2.40 2.39 3h1dA1 GLN 4179 HG3 -0.03 0.04 -0.35 -0.04 2.39 2.01 3h1dA1 GLN 4179 HE21 0.06 -0.05 -0.02 -0.04 6.97 6.92 3h1dA1 GLN 4179 HE22 0.03 0.05 -0.07 -0.04 7.69 7.65 3h1dA1 GLU 4180 H -0.45 0.05 0.03 -0.55 8.60 7.68 3h1dA1 GLU 4180 HA -0.14 0.17 0.76 -0.75 4.29 4.33 3h1dA1 GLU 4180 HB2 -0.10 -0.09 -0.07 -0.04 2.09 1.79 3h1dA1 GLU 4180 HB3 0.01 0.06 0.08 -0.04 1.99 2.10 3h1dA1 GLU 4180 HG2 -0.03 0.05 -0.01 -0.04 2.34 2.31 3h1dA1 GLU 4180 HG3 -0.10 0.16 -0.53 -0.04 2.34 1.83 3h1dA1 PHE 4181 H 0.10 0.13 0.15 -0.55 8.34 8.17 3h1dA1 PHE 4181 HA 0.05 0.30 0.96 -0.75 4.62 5.17 3h1dA1 PHE 4181 HB2 0.08 -0.03 0.11 -0.04 3.15 3.27 3h1dA1 PHE 4181 HB3 0.06 0.05 0.10 -0.04 3.06 3.23 3h1dA1 PHE 4181 HD2 0.11 0.10 -0.02 -0.04 7.28 7.43 3h1dA1 PHE 4181 HE2 0.14 -0.03 -0.10 -0.04 7.38 7.35 3h1dA1 PHE 4181 HZ 0.14 -0.05 -0.34 -0.04 7.32 7.03 3h1dA1 GLY 4182 H 0.21 0.52 0.34 -0.55 8.43 8.95 3h1dA1 GLY 4182 HA2 0.08 0.15 0.50 -0.51 4.01 4.24 3h1dA1 GLY 4182 HA3 0.05 0.02 0.29 -0.51 4.01 3.86 3h1dA1 VAL 4183 H 0.03 0.19 0.13 -0.55 8.24 8.04 3h1dA1 VAL 4183 HA 0.10 0.24 1.00 -0.75 4.13 4.72 3h1dA1 VAL 4183 HB -0.03 -0.04 0.09 -0.04 2.12 2.10 3h1dA1 VAL 4183 HG13 -0.01 0.05 -0.08 -0.04 0.97 0.88 3h1dA1 VAL 4183 HG23 -0.06 -0.00 -0.10 -0.04 0.95 0.75 3h1dA1 ALA 4184 H 0.09 0.69 0.16 -0.55 8.40 8.79 3h1dA1 ALA 4184 HA 0.03 -0.04 0.32 -0.75 4.34 3.90 3h1dA1 ALA 4184 HB3 0.05 0.01 -0.12 -0.04 1.41 1.31 3h1dA1 GLU 4185 H 0.01 0.06 0.18 -0.55 8.60 8.31 3h1dA1 GLU 4185 HA 0.01 0.24 0.78 -0.75 4.29 4.56 3h1dA1 GLU 4185 HB2 0.00 -0.09 0.07 -0.04 2.09 2.04 3h1dA1 GLU 4185 HB3 0.00 -0.05 0.15 -0.04 1.99 2.06 3h1dA1 GLU 4185 HG2 -0.00 0.09 0.02 -0.04 2.34 2.40 3h1dA1 GLU 4185 HG3 0.00 0.07 0.02 -0.04 2.34 2.39 3h1dA1 VAL 4186 H 0.01 0.20 0.12 -0.55 8.24 8.02 3h1dA1 VAL 4186 HA 0.01 0.12 0.28 -0.75 4.13 3.79 3h1dA1 VAL 4186 HB 0.01 -0.03 0.12 -0.04 2.12 2.18 3h1dA1 VAL 4186 HG13 0.01 0.02 -0.13 -0.04 0.97 0.83 3h1dA1 VAL 4186 HG23 0.01 0.02 0.05 -0.04 0.95 0.99 3h1dA1 ARG 4187 H 0.01 0.06 -0.20 -0.55 8.46 7.77 3h1dA1 ARG 4187 HA 0.01 0.12 0.37 -0.75 4.34 4.09 3h1dA1 ARG 4187 HB2 0.00 0.07 0.04 -0.04 1.90 1.97 3h1dA1 ARG 4187 HB3 0.00 0.02 0.07 -0.04 1.80 1.84 3h1dA1 ARG 4187 HG2 0.00 -0.18 -0.02 -0.04 1.67 1.43 3h1dA1 ARG 4187 HG3 0.00 0.05 -0.14 -0.04 1.67 1.54 3h1dA1 ARG 4187 HD2 -0.00 0.05 -0.01 -0.04 3.22 3.21 3h1dA1 ARG 4187 HD3 0.00 -0.01 0.01 -0.04 3.22 3.19 3h1dA1 ASP 4188 H 0.01 0.17 -0.38 -0.55 8.40 7.65 3h1dA1 ASP 4188 HA 0.01 0.10 0.54 -0.75 4.63 4.53 3h1dA1 ASP 4188 HB2 0.02 0.09 0.04 -0.04 2.71 2.82 3h1dA1 ASP 4188 HB3 0.02 0.08 0.03 -0.04 2.70 2.78 3h1dA1 LEU 4189 H 0.01 0.32 -0.34 -0.55 8.37 7.81 3h1dA1 LEU 4189 HA 0.02 0.04 0.55 -0.75 4.35 4.20 3h1dA1 LEU 4189 HB2 0.01 0.16 0.09 -0.04 1.64 1.86 3h1dA1 LEU 4189 HB3 0.01 -0.06 0.09 -0.04 1.64 1.64 3h1dA1 LEU 4189 HG 0.02 0.05 -0.08 -0.04 1.64 1.59 3h1dA1 LEU 4189 HD13 0.02 -0.02 -0.04 -0.04 0.93 0.85 3h1dA1 LEU 4189 HD23 0.02 -0.01 -0.10 -0.04 0.89 0.76 3h1dA1 LYS 4190 H 0.01 0.18 -0.45 -0.55 8.42 7.61 3h1dA1 LYS 4190 HA 0.01 0.13 0.80 -0.75 4.32 4.50 3h1dA1 LYS 4190 HB2 0.01 0.06 0.10 -0.04 1.87 2.00 3h1dA1 LYS 4190 HB3 0.01 0.02 0.09 -0.04 1.79 1.87 3h1dA1 LYS 4190 HG2 0.01 -0.00 0.02 -0.04 1.46 1.44 3h1dA1 LYS 4190 HG3 0.01 -0.03 -0.18 -0.04 1.46 1.22 3h1dA1 LYS 4190 HD2 0.01 -0.05 -0.03 -0.04 1.69 1.58 3h1dA1 LYS 4190 HD3 0.01 -0.00 0.00 -0.04 1.68 1.64 3h1dA1 LYS 4190 HE2 0.01 0.00 -0.02 -0.04 2.99 2.94 3h1dA1 LYS 4190 HE3 0.01 0.01 -0.06 -0.04 2.99 2.91 3h1dA1 PRO 4191 HA 0.02 0.02 0.40 -0.51 4.44 4.37 3h1dA1 PRO 4191 HB2 0.01 -0.01 0.11 -0.04 2.28 2.35 3h1dA1 PRO 4191 HB3 0.01 0.01 0.07 -0.04 2.02 2.07 3h1dA1 PRO 4191 HG2 0.01 0.01 0.10 -0.04 2.03 2.11 3h1dA1 PRO 4191 HG3 0.01 0.05 0.09 -0.04 2.03 2.14 3h1dA1 PRO 4191 HD2 0.01 0.06 0.21 -0.04 3.68 3.92 3h1dA1 PRO 4191 HD3 0.01 0.17 0.22 -0.04 3.65 4.01 3h1dA1 ASN 4192 H 0.02 0.29 0.26 -0.55 8.53 8.55 3h1dA1 ASN 4192 HA 0.01 0.06 0.57 -0.75 4.76 4.64 3h1dA1 ASN 4192 HB2 0.01 -0.13 0.14 -0.04 2.88 2.86 3h1dA1 ASN 4192 HB3 0.01 0.29 -0.39 -0.04 2.79 2.65 3h1dA1 ASN 4192 HD21 0.01 0.23 0.16 -0.04 7.03 7.39 3h1dA1 ASN 4192 HD22 0.01 0.54 0.09 -0.04 7.74 8.34 3h1dA1 GLY 4193 H 0.01 0.15 0.16 -0.55 8.43 8.21 3h1dA1 GLY 4193 HA2 0.03 0.24 0.82 -0.51 4.01 4.59 3h1dA1 GLY 4193 HA3 0.02 0.06 0.31 -0.51 4.01 3.89 3h1dA1 ALA 4194 H 0.01 0.04 -0.04 -0.55 8.40 7.86 3h1dA1 ALA 4194 HA -0.01 0.09 0.55 -0.75 4.34 4.22 3h1dA1 ALA 4194 HB3 -0.01 0.01 0.07 -0.04 1.41 1.44 3h1dA1 ASN 4195 H -0.00 0.14 -0.10 -0.55 8.53 8.02 3h1dA1 ASN 4195 HA -0.03 0.30 0.93 -0.75 4.76 5.22 3h1dA1 ASN 4195 HB2 -0.00 -0.01 0.05 -0.04 2.88 2.89 3h1dA1 ASN 4195 HB3 -0.00 -0.01 -0.17 -0.04 2.79 2.57 3h1dA1 ASN 4195 HD21 -0.02 0.04 -0.14 -0.04 7.03 6.87 3h1dA1 ASN 4195 HD22 -0.01 -0.00 -0.10 -0.04 7.74 7.59 3h1dA1 ILE 4196 H 0.01 0.57 0.16 -0.55 8.25 8.45 3h1dA1 ILE 4196 HA 0.01 0.15 0.59 -0.75 4.18 4.17 3h1dA1 ILE 4196 HB -0.16 -0.06 0.11 -0.04 1.89 1.75 3h1dA1 ILE 4196 HG12 0.05 0.06 -0.02 -0.04 1.49 1.53 3h1dA1 ILE 4196 HG13 0.06 -0.02 -0.09 -0.04 1.21 1.12 3h1dA1 ILE 4196 HG23 -0.02 0.03 -0.15 -0.04 0.93 0.74 3h1dA1 ILE 4196 HD13 0.14 -0.00 -0.03 -0.04 0.88 0.95 3h1dA1 LEU 4197 H 0.02 0.20 0.19 -0.55 8.37 8.24 3h1dA1 LEU 4197 HA 0.03 0.14 0.58 -0.75 4.35 4.34 3h1dA1 LEU 4197 HB2 0.02 0.11 0.09 -0.04 1.64 1.82 3h1dA1 LEU 4197 HB3 0.03 -0.04 0.14 -0.04 1.64 1.72 3h1dA1 LEU 4197 HG 0.03 -0.04 -0.36 -0.04 1.64 1.23 3h1dA1 LEU 4197 HD13 0.02 0.02 0.05 -0.04 0.93 0.98 3h1dA1 LEU 4197 HD23 0.02 -0.01 -0.02 -0.04 0.89 0.84 3h1dA1 VAL 4198 H 0.05 0.63 0.27 -0.55 8.24 8.65 3h1dA1 VAL 4198 HA 0.12 0.04 0.56 -0.75 4.13 4.09 3h1dA1 VAL 4198 HB 0.06 -0.02 0.03 -0.04 2.12 2.15 3h1dA1 VAL 4198 HG13 0.08 -0.02 -0.15 -0.04 0.97 0.84 3h1dA1 VAL 4198 HG23 0.26 0.01 -0.29 -0.04 0.95 0.88 3h1dA1 THR 4199 H 0.10 0.09 0.16 -0.55 8.28 8.08 3h1dA1 THR 4199 HA 0.01 0.28 0.94 -0.75 4.39 4.86 3h1dA1 THR 4199 HB 0.01 -0.03 0.15 -0.04 4.32 4.41 3h1dA1 THR 4199 HG23 0.03 0.09 -0.24 -0.04 1.22 1.07 3h1dA1 GLU 4200 H -0.01 0.20 0.19 -0.55 8.60 8.43 3h1dA1 GLU 4200 HA -0.03 0.15 0.55 -0.75 4.29 4.21 3h1dA1 GLU 4200 HB2 -0.02 -0.01 0.18 -0.04 2.09 2.19 3h1dA1 GLU 4200 HB3 -0.03 0.10 0.06 -0.04 1.99 2.09 3h1dA1 GLU 4200 HG2 -0.04 -0.11 0.16 -0.04 2.34 2.31 3h1dA1 GLU 4200 HG3 -0.04 0.07 0.09 -0.04 2.34 2.42 3h1dA1 GLU 4201 H 0.00 0.04 -0.18 -0.55 8.60 7.91 3h1dA1 GLU 4201 HA -0.02 0.16 0.41 -0.75 4.29 4.09 3h1dA1 GLU 4201 HB2 0.01 -0.03 0.06 -0.04 2.09 2.08 3h1dA1 GLU 4201 HB3 -0.01 0.07 0.02 -0.04 1.99 2.03 3h1dA1 GLU 4201 HG2 -0.00 0.06 0.02 -0.04 2.34 2.38 3h1dA1 GLU 4201 HG3 -0.01 0.05 0.01 -0.04 2.34 2.35 3h1dA1 ASN 4202 H 0.04 0.04 -0.18 -0.55 8.53 7.89 3h1dA1 ASN 4202 HA -0.05 0.30 1.05 -0.75 4.76 5.31 3h1dA1 ASN 4202 HB2 -0.01 0.01 0.13 -0.04 2.88 2.97 3h1dA1 ASN 4202 HB3 0.06 0.04 -0.02 -0.04 2.79 2.83 3h1dA1 ASN 4202 HD21 0.16 0.51 0.16 -0.04 7.03 7.82 3h1dA1 ASN 4202 HD22 0.21 0.00 0.01 -0.04 7.74 7.93 3h1dA1 LYS 4203 H 0.02 0.41 -0.14 -0.55 8.42 8.16 3h1dA1 LYS 4203 HA 0.20 -0.00 0.21 -0.75 4.32 3.97 3h1dA1 LYS 4203 HB2 -0.01 0.00 -0.01 -0.04 1.87 1.80 3h1dA1 LYS 4203 HB3 0.02 0.02 0.03 -0.04 1.79 1.82 3h1dA1 LYS 4203 HG2 -0.02 0.14 0.16 -0.04 1.46 1.70 3h1dA1 LYS 4203 HG3 -0.04 -0.04 -0.02 -0.04 1.46 1.32 3h1dA1 LYS 4203 HD2 -0.09 0.11 -0.08 -0.04 1.69 1.59 3h1dA1 LYS 4203 HD3 -0.06 -0.15 -0.02 -0.04 1.68 1.41 3h1dA1 LYS 4203 HE2 -0.05 -0.11 0.12 -0.04 2.99 2.90 3h1dA1 LYS 4203 HE3 -0.07 0.02 0.09 -0.04 2.99 2.99 3h1dA1 LYS 4204 H -0.03 0.22 -0.17 -0.55 8.42 7.88 3h1dA1 LYS 4204 HA -0.07 0.07 0.46 -0.75 4.32 4.03 3h1dA1 LYS 4204 HB2 -0.06 0.08 0.10 -0.04 1.87 1.95 3h1dA1 LYS 4204 HB3 -0.06 0.04 0.04 -0.04 1.79 1.76 3h1dA1 LYS 4204 HG2 -0.05 0.00 -0.06 -0.04 1.46 1.31 3h1dA1 LYS 4204 HG3 -0.11 -0.05 0.10 -0.04 1.46 1.35 3h1dA1 LYS 4204 HD2 -0.07 0.04 0.02 -0.04 1.69 1.64 3h1dA1 LYS 4204 HD3 -0.04 0.03 0.01 -0.04 1.68 1.65 3h1dA1 LYS 4204 HE2 0.02 0.03 0.00 -0.04 2.99 3.01 3h1dA1 LYS 4204 HE3 0.01 0.01 -0.00 -0.04 2.99 2.96 3h1dA1 GLU 4205 H -0.13 0.19 -0.25 -0.55 8.60 7.86 3h1dA1 GLU 4205 HA -0.09 0.07 0.49 -0.75 4.29 4.00 3h1dA1 GLU 4205 HB2 -0.21 0.01 0.10 -0.04 2.09 1.95 3h1dA1 GLU 4205 HB3 -0.46 0.11 0.14 -0.04 1.99 1.74 3h1dA1 GLU 4205 HG2 -0.46 0.02 -0.03 -0.04 2.34 1.82 3h1dA1 GLU 4205 HG3 -0.59 -0.02 -0.31 -0.04 2.34 1.38 3h1dA1 TYR 4206 H -0.20 0.44 -0.09 -0.55 8.29 7.90 3h1dA1 TYR 4206 HA -0.38 0.05 0.59 -0.75 4.56 4.06 3h1dA1 TYR 4206 HB2 0.14 0.04 0.03 -0.04 3.06 3.24 3h1dA1 TYR 4206 HB3 -0.19 -0.02 -0.03 -0.04 2.98 2.69 3h1dA1 TYR 4206 HD2 -0.89 -0.03 -0.09 -0.04 7.15 6.10 3h1dA1 TYR 4206 HE2 -0.27 0.01 -0.06 -0.04 6.85 6.48 3h1dA1 VAL 4207 H 0.19 0.69 -0.09 -0.55 8.24 8.48 3h1dA1 VAL 4207 HA 0.39 0.02 0.54 -0.75 4.13 4.33 3h1dA1 VAL 4207 HB 0.00 0.11 0.19 -0.04 2.12 2.37 3h1dA1 VAL 4207 HG13 -0.05 -0.02 -0.12 -0.04 0.97 0.74 3h1dA1 VAL 4207 HG23 0.10 0.02 0.03 -0.04 0.95 1.06 3h1dA1 HIS 4208 H 0.13 0.54 -0.18 -0.55 8.41 8.35 3h1dA1 HIS 4208 HA 0.11 -0.06 0.47 -0.75 4.63 4.39 3h1dA1 HIS 4208 HB2 0.03 -0.05 0.15 -0.04 3.26 3.35 3h1dA1 HIS 4208 HB3 -0.04 0.19 0.26 -0.04 3.20 3.57 3h1dA1 HIS 4208 HD2 -0.05 0.04 -0.04 -0.04 6.97 6.88 3h1dA1 HIS 4208 HE1 0.04 0.04 -0.00 -0.04 7.75 7.79 3h1dA1 LEU 4209 H -0.02 0.38 -0.17 -0.55 8.37 8.01 3h1dA1 LEU 4209 HA -0.25 0.02 0.38 -0.75 4.35 3.75 3h1dA1 LEU 4209 HB2 -0.08 0.03 0.10 -0.04 1.64 1.65 3h1dA1 LEU 4209 HB3 0.16 -0.00 0.02 -0.04 1.64 1.77 3h1dA1 LEU 4209 HG -0.05 0.18 0.06 -0.04 1.64 1.79 3h1dA1 LEU 4209 HD13 -0.17 -0.02 -0.06 -0.04 0.93 0.64 3h1dA1 LEU 4209 HD23 0.00 -0.01 -0.02 -0.04 0.89 0.83 3h1dA1 VAL 4210 H 0.09 0.58 -0.13 -0.55 8.24 8.23 3h1dA1 VAL 4210 HA 0.08 0.28 0.57 -0.75 4.13 4.31 3h1dA1 VAL 4210 HB 0.17 0.03 0.19 -0.04 2.12 2.47 3h1dA1 VAL 4210 HG13 0.29 -0.00 0.00 -0.04 0.97 1.22 3h1dA1 VAL 4210 HG23 -0.47 0.04 -0.11 -0.04 0.95 0.37 3h1dA1 CYS 4211 H 0.14 0.62 -0.11 -0.55 8.50 8.60 3h1dA1 CYS 4211 HA 0.14 0.02 0.53 -0.75 4.58 4.51 3h1dA1 CYS 4211 HB2 0.17 0.10 0.10 -0.04 2.97 3.31 3h1dA1 CYS 4211 HB3 0.17 -0.06 -0.08 -0.04 2.97 2.95 3h1dA1 GLN 4212 H -0.09 0.64 -0.08 -0.55 8.47 8.39 3h1dA1 GLN 4212 HA 0.01 0.01 0.40 -0.75 4.36 4.03 3h1dA1 GLN 4212 HB2 -0.34 0.11 0.13 -0.04 2.15 2.01 3h1dA1 GLN 4212 HB3 -0.13 0.09 0.13 -0.04 2.02 2.06 3h1dA1 GLN 4212 HG2 0.01 -0.08 -0.04 -0.04 2.40 2.24 3h1dA1 GLN 4212 HG3 0.02 -0.01 0.05 -0.04 2.39 2.42 3h1dA1 GLN 4212 HE21 0.08 0.00 -0.02 -0.04 6.97 7.00 3h1dA1 GLN 4212 HE22 0.07 -0.01 -0.01 -0.04 7.69 7.69 3h1dA1 MET 4213 H 0.00 0.59 -0.22 -0.55 8.47 8.30 3h1dA1 MET 4213 HA 0.00 -0.13 0.49 -0.75 4.52 4.13 3h1dA1 MET 4213 HB2 0.01 0.00 0.17 -0.04 2.15 2.30 3h1dA1 MET 4213 HB3 0.00 0.23 0.28 -0.04 2.03 2.50 3h1dA1 MET 4213 HG2 -0.04 0.25 0.05 -0.04 2.63 2.84 3h1dA1 MET 4213 HG3 -0.03 -0.06 -0.22 -0.04 2.56 2.21 3h1dA1 MET 4213 HE3 -0.03 0.03 -0.03 -0.04 2.10 2.02 3h1dA1 ARG 4214 H -0.00 0.48 -0.08 -0.55 8.46 8.31 3h1dA1 ARG 4214 HA -0.05 0.06 0.44 -0.75 4.34 4.03 3h1dA1 ARG 4214 HB2 -0.04 0.02 0.16 -0.04 1.90 2.00 3h1dA1 ARG 4214 HB3 -0.11 -0.04 0.05 -0.04 1.80 1.66 3h1dA1 ARG 4214 HG2 -0.13 -0.01 0.06 -0.04 1.67 1.54 3h1dA1 ARG 4214 HG3 -0.07 0.31 0.16 -0.04 1.67 2.02 3h1dA1 ARG 4214 HD2 -0.49 -0.03 0.03 -0.04 3.22 2.69 3h1dA1 ARG 4214 HD3 -0.58 -0.06 -0.00 -0.04 3.22 2.53 3h1dA1 MET 4215 H 0.03 0.51 -0.18 -0.55 8.47 8.28 3h1dA1 MET 4215 HA 0.06 0.16 0.67 -0.75 4.52 4.65 3h1dA1 MET 4215 HB2 0.07 0.11 -0.00 -0.04 2.15 2.28 3h1dA1 MET 4215 HB3 0.09 -0.08 0.03 -0.04 2.03 2.03 3h1dA1 MET 4215 HG2 0.05 0.01 -0.08 -0.04 2.63 2.56 3h1dA1 MET 4215 HG3 0.05 0.03 -0.09 -0.04 2.56 2.51 3h1dA1 MET 4215 HE3 0.10 0.07 -0.18 -0.04 2.10 2.04 3h1dA1 THR 4216 H 0.04 0.24 -0.20 -0.55 8.28 7.81 3h1dA1 THR 4216 HA 0.02 0.18 0.83 -0.75 4.39 4.66 3h1dA1 THR 4216 HB 0.07 0.06 0.13 -0.04 4.32 4.54 3h1dA1 THR 4216 HG23 -0.01 -0.01 -0.07 -0.04 1.22 1.09 3h1dA1 GLY 4217 H 0.01 0.52 0.32 -0.55 8.43 8.73 3h1dA1 GLY 4217 HA2 -0.01 0.00 0.26 -0.51 4.01 3.75 3h1dA1 GLY 4217 HA3 -0.00 0.04 0.37 -0.51 4.01 3.91 3h1dA1 ALA 4218 H -0.02 0.72 0.04 -0.55 8.40 8.59 3h1dA1 ALA 4218 HA -0.03 0.03 0.38 -0.75 4.34 3.98 3h1dA1 ALA 4218 HB3 -0.03 0.01 0.09 -0.04 1.41 1.44 3h1dA1 ILE 4219 H -0.05 0.38 -0.62 -0.55 8.25 7.42 3h1dA1 ILE 4219 HA -0.09 0.19 0.83 -0.75 4.18 4.36 3h1dA1 ILE 4219 HB -0.14 -0.13 0.09 -0.04 1.89 1.67 3h1dA1 ILE 4219 HG12 -0.03 -0.03 -0.32 -0.04 1.49 1.07 3h1dA1 ILE 4219 HG13 -0.09 0.08 -0.22 -0.04 1.21 0.93 3h1dA1 ILE 4219 HG23 -0.06 0.02 -0.31 -0.04 0.93 0.54 3h1dA1 ILE 4219 HD13 0.01 0.03 -0.05 -0.04 0.88 0.83 3h1dA1 ARG 4220 H -0.05 0.39 -0.09 -0.55 8.46 8.16 3h1dA1 ARG 4220 HA -0.09 0.10 0.25 -0.75 4.34 3.84 3h1dA1 ARG 4220 HB2 -0.03 0.07 0.11 -0.04 1.90 2.02 3h1dA1 ARG 4220 HB3 -0.02 0.00 0.18 -0.04 1.80 1.92 3h1dA1 ARG 4220 HG2 -0.02 -0.03 -0.28 -0.04 1.67 1.29 3h1dA1 ARG 4220 HG3 -0.02 -0.01 -0.01 -0.04 1.67 1.59 3h1dA1 ARG 4220 HD2 0.00 -0.02 -0.03 -0.04 3.22 3.13 3h1dA1 ARG 4220 HD3 0.00 -0.01 -0.01 -0.04 3.22 3.17 3h1dA1 LYS 4221 H -0.04 0.16 -0.03 -0.55 8.42 7.96 3h1dA1 LYS 4221 HA -0.03 0.10 0.52 -0.75 4.32 4.16 3h1dA1 LYS 4221 HB2 0.00 0.02 0.09 -0.04 1.87 1.94 3h1dA1 LYS 4221 HB3 -0.01 0.01 0.03 -0.04 1.79 1.78 3h1dA1 LYS 4221 HG2 0.00 0.02 0.03 -0.04 1.46 1.48 3h1dA1 LYS 4221 HG3 -0.00 -0.02 0.06 -0.04 1.46 1.46 3h1dA1 LYS 4221 HD2 0.04 0.03 0.03 -0.04 1.69 1.75 3h1dA1 LYS 4221 HD3 0.03 -0.01 0.02 -0.04 1.68 1.68 3h1dA1 LYS 4221 HE2 0.02 0.00 0.01 -0.04 2.99 2.98 3h1dA1 LYS 4221 HE3 0.01 0.01 0.02 -0.04 2.99 2.99 3h1dA1 GLN 4222 H -0.17 0.15 -0.23 -0.55 8.47 7.67 3h1dA1 GLN 4222 HA -0.35 0.02 0.45 -0.75 4.36 3.72 3h1dA1 GLN 4222 HB2 -0.49 0.12 0.09 -0.04 2.15 1.83 3h1dA1 GLN 4222 HB3 -1.74 0.03 0.02 -0.04 2.02 0.28 3h1dA1 GLN 4222 HG2 -0.58 0.16 0.02 -0.04 2.40 1.96 3h1dA1 GLN 4222 HG3 -0.24 -0.11 -0.00 -0.04 2.39 2.00 3h1dA1 GLN 4222 HE21 -0.02 0.15 0.10 -0.04 6.97 7.15 3h1dA1 GLN 4222 HE22 0.02 0.09 0.00 -0.04 7.69 7.76 3h1dA1 LEU 4223 H -0.19 0.67 -0.02 -0.55 8.37 8.28 3h1dA1 LEU 4223 HA -0.06 0.01 0.46 -0.75 4.35 4.01 3h1dA1 LEU 4223 HB2 -0.19 0.10 0.11 -0.04 1.64 1.62 3h1dA1 LEU 4223 HB3 -0.17 0.09 0.10 -0.04 1.64 1.61 3h1dA1 LEU 4223 HG -0.28 -0.02 -0.12 -0.04 1.64 1.18 3h1dA1 LEU 4223 HD13 -0.30 -0.02 0.05 -0.04 0.93 0.62 3h1dA1 LEU 4223 HD23 -1.01 0.01 0.02 -0.04 0.89 -0.14 3h1dA1 ALA 4224 H -0.06 0.50 -0.19 -0.55 8.40 8.11 3h1dA1 ALA 4224 HA 0.01 0.02 0.38 -0.75 4.34 4.00 3h1dA1 ALA 4224 HB3 0.01 0.02 0.12 -0.04 1.41 1.51 3h1dA1 ALA 4225 H 0.02 0.41 -0.28 -0.55 8.40 8.01 3h1dA1 ALA 4225 HA 0.08 0.02 0.42 -0.75 4.34 4.10 3h1dA1 ALA 4225 HB3 0.13 0.02 0.14 -0.04 1.41 1.66 3h1dA1 PHE 4226 H 0.25 0.67 -0.04 -0.55 8.34 8.67 3h1dA1 PHE 4226 HA 0.19 0.15 0.42 -0.75 4.62 4.63 3h1dA1 PHE 4226 HB2 0.28 -0.01 0.10 -0.04 3.15 3.49 3h1dA1 PHE 4226 HB3 0.06 0.07 0.18 -0.04 3.06 3.33 3h1dA1 PHE 4226 HD2 0.16 0.04 -0.17 -0.04 7.28 7.28 3h1dA1 PHE 4226 HE2 -0.03 0.02 -0.15 -0.04 7.38 7.19 3h1dA1 PHE 4226 HZ 0.09 0.01 -0.06 -0.04 7.32 7.32 3h1dA1 LEU 4227 H 0.15 0.68 -0.13 -0.55 8.37 8.52 3h1dA1 LEU 4227 HA -0.25 0.00 0.41 -0.75 4.35 3.76 3h1dA1 LEU 4227 HB2 0.03 0.07 0.12 -0.04 1.64 1.82 3h1dA1 LEU 4227 HB3 -0.09 -0.04 0.03 -0.04 1.64 1.49 3h1dA1 LEU 4227 HG 0.00 0.08 0.04 -0.04 1.64 1.73 3h1dA1 LEU 4227 HD13 -0.01 -0.03 -0.10 -0.04 0.93 0.74 3h1dA1 LEU 4227 HD23 -0.24 -0.01 -0.09 -0.04 0.89 0.51 3h1dA1 GLU 4228 H 0.04 0.51 -0.21 -0.55 8.60 8.40 3h1dA1 GLU 4228 HA 0.13 -0.02 0.36 -0.75 4.29 4.00 3h1dA1 GLU 4228 HB2 0.07 0.02 0.15 -0.04 2.09 2.29 3h1dA1 GLU 4228 HB3 0.06 0.10 0.21 -0.04 1.99 2.32 3h1dA1 GLU 4228 HG2 0.06 0.02 -0.13 -0.04 2.34 2.25 3h1dA1 GLU 4228 HG3 0.08 -0.06 0.04 -0.04 2.34 2.36 3h1dA1 GLY 4229 H -0.01 0.49 -0.13 -0.55 8.43 8.23 3h1dA1 GLY 4229 HA2 -0.00 0.01 0.40 -0.51 4.01 3.92 3h1dA1 GLY 4229 HA3 -0.05 0.17 0.37 -0.51 4.01 3.99 3h1dA1 PHE 4230 H -0.14 0.45 -0.16 -0.55 8.34 7.94 3h1dA1 PHE 4230 HA -0.18 0.15 0.31 -0.75 4.62 4.14 3h1dA1 PHE 4230 HB2 -0.55 -0.00 0.12 -0.04 3.15 2.67 3h1dA1 PHE 4230 HB3 -0.53 0.03 0.18 -0.04 3.06 2.70 3h1dA1 PHE 4230 HD2 -0.07 0.05 -0.13 -0.04 7.28 7.09 3h1dA1 PHE 4230 HE2 0.18 0.00 -0.13 -0.04 7.38 7.40 3h1dA1 PHE 4230 HZ 0.16 -0.02 -0.06 -0.04 7.32 7.36 3h1dA1 TYR 4231 H 0.00 0.66 -0.04 -0.55 8.29 8.36 3h1dA1 TYR 4231 HA 0.20 0.36 0.21 -0.75 4.56 4.58 3h1dA1 TYR 4231 HB2 0.10 0.10 0.06 -0.04 3.06 3.28 3h1dA1 TYR 4231 HB3 0.10 -0.19 0.05 -0.04 2.98 2.90 3h1dA1 TYR 4231 HD2 0.22 0.13 -0.05 -0.04 7.15 7.41 3h1dA1 TYR 4231 HE2 0.08 0.04 0.03 -0.04 6.85 6.95 3h1dA1 GLU 4232 H 0.07 0.33 -0.57 -0.55 8.60 7.88 3h1dA1 GLU 4232 HA 0.05 -0.05 0.35 -0.75 4.29 3.89 3h1dA1 GLU 4232 HB2 -0.01 0.18 0.08 -0.04 2.09 2.31 3h1dA1 GLU 4232 HB3 -0.01 -0.10 0.02 -0.04 1.99 1.86 3h1dA1 GLU 4232 HG2 0.03 -0.11 0.05 -0.04 2.34 2.26 3h1dA1 GLU 4232 HG3 0.05 0.22 0.07 -0.04 2.34 2.64 3h1dA1 ILE 4233 H -0.07 0.36 -0.38 -0.55 8.25 7.61 3h1dA1 ILE 4233 HA -0.12 0.15 0.83 -0.75 4.18 4.27 3h1dA1 ILE 4233 HB -0.21 0.04 0.07 -0.04 1.89 1.75 3h1dA1 ILE 4233 HG12 -0.16 0.03 -0.11 -0.04 1.49 1.21 3h1dA1 ILE 4233 HG13 -0.11 -0.05 -0.16 -0.04 1.21 0.86 3h1dA1 ILE 4233 HG23 -0.23 -0.01 -0.22 -0.04 0.93 0.43 3h1dA1 ILE 4233 HD13 -0.11 0.01 -0.04 -0.04 0.88 0.70 3h1dA1 ILE 4234 H -0.14 0.58 0.12 -0.55 8.25 8.25 3h1dA1 ILE 4234 HA 0.06 0.21 0.91 -0.75 4.18 4.60 3h1dA1 ILE 4234 HB -0.12 -0.04 0.09 -0.04 1.89 1.79 3h1dA1 ILE 4234 HG12 -0.24 -0.03 -0.12 -0.04 1.49 1.05 3h1dA1 ILE 4234 HG13 -0.11 -0.05 -0.00 -0.04 1.21 1.01 3h1dA1 ILE 4234 HG23 0.45 -0.01 -0.11 -0.04 0.93 1.22 3h1dA1 ILE 4234 HD13 0.18 0.05 -0.11 -0.04 0.88 0.96 3h1dA1 PRO 4235 HA 0.12 0.17 0.34 -0.51 4.44 4.56 3h1dA1 PRO 4235 HB2 0.07 -0.23 -0.00 -0.04 2.28 2.07 3h1dA1 PRO 4235 HB3 0.03 0.02 0.08 -0.04 2.02 2.12 3h1dA1 PRO 4235 HG2 0.03 0.00 0.05 -0.04 2.03 2.07 3h1dA1 PRO 4235 HG3 0.03 0.15 0.02 -0.04 2.03 2.19 3h1dA1 PRO 4235 HD2 0.07 0.00 0.16 -0.04 3.68 3.87 3h1dA1 PRO 4235 HD3 0.04 0.43 0.07 -0.04 3.65 4.15 3h1dA1 LYS 4236 H -0.18 0.17 0.19 -0.55 8.42 8.05 3h1dA1 LYS 4236 HA 0.10 0.19 0.39 -0.75 4.32 4.24 3h1dA1 LYS 4236 HB2 -1.32 0.05 0.16 -0.04 1.87 0.72 3h1dA1 LYS 4236 HB3 -0.31 -0.10 0.11 -0.04 1.79 1.45 3h1dA1 LYS 4236 HG2 -0.08 -0.02 -0.21 -0.04 1.46 1.11 3h1dA1 LYS 4236 HG3 -0.14 0.19 0.01 -0.04 1.46 1.47 3h1dA1 LYS 4236 HD2 -0.37 0.00 0.01 -0.04 1.69 1.29 3h1dA1 LYS 4236 HD3 -0.17 -0.07 -0.03 -0.04 1.68 1.36 3h1dA1 LYS 4236 HE2 -0.01 -0.00 -0.02 -0.04 2.99 2.91 3h1dA1 LYS 4236 HE3 0.04 0.09 -0.07 -0.04 2.99 3.01 3h1dA1 ARG 4237 H -0.02 0.09 -0.19 -0.55 8.46 7.79 3h1dA1 ARG 4237 HA 0.02 0.10 0.23 -0.75 4.34 3.95 3h1dA1 ARG 4237 HB2 0.02 -0.09 -0.03 -0.04 1.90 1.76 3h1dA1 ARG 4237 HB3 -0.00 0.01 0.02 -0.04 1.80 1.79 3h1dA1 ARG 4237 HG2 0.02 -0.02 -0.05 -0.04 1.67 1.57 3h1dA1 ARG 4237 HG3 0.05 0.07 -0.25 -0.04 1.67 1.50 3h1dA1 ARG 4237 HD2 0.02 -0.16 -0.24 -0.04 3.22 2.80 3h1dA1 ARG 4237 HD3 0.01 -0.03 -0.16 -0.04 3.22 3.00 3h1dA1 LEU 4238 H 0.13 0.29 -0.55 -0.55 8.37 7.70 3h1dA1 LEU 4238 HA 0.17 0.00 0.44 -0.75 4.35 4.21 3h1dA1 LEU 4238 HB2 0.09 -0.06 0.02 -0.04 1.64 1.64 3h1dA1 LEU 4238 HB3 0.23 0.19 0.06 -0.04 1.64 2.08 3h1dA1 LEU 4238 HG 0.29 0.04 -0.17 -0.04 1.64 1.76 3h1dA1 LEU 4238 HD13 0.13 -0.03 0.04 -0.04 0.93 1.03 3h1dA1 LEU 4238 HD23 -0.20 0.03 -0.04 -0.04 0.89 0.64 3h1dA1 ILE 4239 H 0.35 0.47 -0.05 -0.55 8.25 8.48 3h1dA1 ILE 4239 HA 0.47 0.00 0.32 -0.75 4.18 4.22 3h1dA1 ILE 4239 HB 0.60 0.05 -0.01 -0.04 1.89 2.49 3h1dA1 ILE 4239 HG12 0.31 0.00 -0.09 -0.04 1.49 1.67 3h1dA1 ILE 4239 HG13 0.36 -0.08 0.03 -0.04 1.21 1.48 3h1dA1 ILE 4239 HG23 0.35 0.02 -0.12 -0.04 0.93 1.14 3h1dA1 ILE 4239 HD13 0.38 -0.00 -0.04 -0.04 0.88 1.18 3h1dA1 SER 4240 H 0.16 0.30 -0.65 -0.55 8.46 7.74 3h1dA1 SER 4240 HA 0.12 0.07 0.23 -0.75 4.49 4.16 3h1dA1 SER 4240 HB2 0.05 -0.00 0.09 -0.04 3.95 4.05 3h1dA1 SER 4240 HB3 0.07 0.14 0.02 -0.04 3.93 4.13 3h1dA1 ILE 4241 H 0.03 0.38 -0.55 -0.55 8.25 7.57 3h1dA1 ILE 4241 HA -0.02 0.01 0.34 -0.75 4.18 3.75 3h1dA1 ILE 4241 HB 0.03 -0.01 0.04 -0.04 1.89 1.91 3h1dA1 ILE 4241 HG12 -0.15 -0.02 -0.10 -0.04 1.49 1.18 3h1dA1 ILE 4241 HG13 0.03 0.03 -0.12 -0.04 1.21 1.11 3h1dA1 ILE 4241 HG23 -0.74 0.01 -0.12 -0.04 0.93 0.04 3h1dA1 ILE 4241 HD13 0.01 -0.03 -0.00 -0.04 0.88 0.82 3h1dA1 PHE 4242 H 0.05 0.48 -0.24 -0.55 8.34 8.07 3h1dA1 PHE 4242 HA 0.08 0.03 0.52 -0.75 4.62 4.50 3h1dA1 PHE 4242 HB2 0.03 0.13 -0.00 -0.04 3.15 3.26 3h1dA1 PHE 4242 HB3 0.04 -0.16 -0.07 -0.04 3.06 2.83 3h1dA1 PHE 4242 HD2 0.07 0.06 -0.02 -0.04 7.28 7.35 3h1dA1 PHE 4242 HE2 -0.76 -0.02 -0.13 -0.04 7.38 6.42 3h1dA1 PHE 4242 HZ -0.40 0.00 -0.14 -0.04 7.32 6.75 3h1dA1 THR 4243 H 0.18 0.05 0.16 -0.55 8.28 8.12 3h1dA1 THR 4243 HA 0.07 0.26 0.78 -0.75 4.39 4.75 3h1dA1 THR 4243 HB 0.02 -0.05 0.18 -0.04 4.32 4.43 3h1dA1 THR 4243 HG23 0.05 0.07 0.08 -0.04 1.22 1.37 3h1dA1 GLU 4244 H 0.03 0.19 0.11 -0.55 8.60 8.39 3h1dA1 GLU 4244 HA 0.02 0.14 0.36 -0.75 4.29 4.06 3h1dA1 GLU 4244 HB2 0.03 0.01 0.04 -0.04 2.09 2.12 3h1dA1 GLU 4244 HB3 0.11 0.02 0.04 -0.04 1.99 2.12 3h1dA1 GLU 4244 HG2 0.06 0.02 0.01 -0.04 2.34 2.39 3h1dA1 GLU 4244 HG3 0.06 0.07 -0.00 -0.04 2.34 2.42 3h1dA1 GLN 4245 H -0.04 0.13 -0.15 -0.55 8.47 7.87 3h1dA1 GLN 4245 HA -0.13 0.12 0.41 -0.75 4.36 4.00 3h1dA1 GLN 4245 HB2 -0.06 -0.03 0.03 -0.04 2.15 2.05 3h1dA1 GLN 4245 HB3 -0.10 0.01 -0.08 -0.04 2.02 1.81 3h1dA1 GLN 4245 HG2 -0.02 -0.00 -0.04 -0.04 2.40 2.30 3h1dA1 GLN 4245 HG3 -0.01 -0.06 -0.00 -0.04 2.39 2.28 3h1dA1 GLN 4245 HE21 0.02 0.20 0.06 -0.04 6.97 7.22 3h1dA1 GLN 4245 HE22 0.04 -0.12 -0.08 -0.04 7.69 7.48 3h1dA1 GLU 4246 H -0.07 0.05 -0.31 -0.55 8.60 7.72 3h1dA1 GLU 4246 HA -0.45 0.05 0.39 -0.75 4.29 3.53 3h1dA1 GLU 4246 HB2 0.20 0.02 0.11 -0.04 2.09 2.38 3h1dA1 GLU 4246 HB3 0.27 0.04 0.02 -0.04 1.99 2.29 3h1dA1 GLU 4246 HG2 -0.16 -0.03 0.02 -0.04 2.34 2.12 3h1dA1 GLU 4246 HG3 -0.03 -0.04 0.02 -0.04 2.34 2.24 3h1dA1 LEU 4247 H -0.12 0.55 -0.24 -0.55 8.37 8.01 3h1dA1 LEU 4247 HA -0.29 0.06 0.41 -0.75 4.35 3.78 3h1dA1 LEU 4247 HB2 0.01 0.10 -0.00 -0.04 1.64 1.70 3h1dA1 LEU 4247 HB3 -0.20 0.04 0.06 -0.04 1.64 1.50 3h1dA1 LEU 4247 HG 0.11 -0.04 -0.17 -0.04 1.64 1.50 3h1dA1 LEU 4247 HD13 0.03 0.00 0.01 -0.04 0.93 0.94 3h1dA1 LEU 4247 HD23 0.10 0.00 -0.05 -0.04 0.89 0.90 3h1dA1 GLU 4248 H -0.52 0.36 -0.25 -0.55 8.60 7.65 3h1dA1 GLU 4248 HA -0.23 0.05 0.54 -0.75 4.29 3.90 3h1dA1 GLU 4248 HB2 -0.83 0.00 0.12 -0.04 2.09 1.34 3h1dA1 GLU 4248 HB3 -0.28 0.16 0.14 -0.04 1.99 1.97 3h1dA1 GLU 4248 HG2 0.02 0.05 -0.27 -0.04 2.34 2.10 3h1dA1 GLU 4248 HG3 0.12 -0.00 0.06 -0.04 2.34 2.48 3h1dA1 LEU 4249 H -0.27 0.38 -0.14 -0.55 8.37 7.79 3h1dA1 LEU 4249 HA -0.11 0.22 0.31 -0.75 4.35 4.02 3h1dA1 LEU 4249 HB2 -0.74 0.08 0.05 -0.04 1.64 0.99 3h1dA1 LEU 4249 HB3 -0.37 -0.09 -0.11 -0.04 1.64 1.03 3h1dA1 LEU 4249 HG -0.32 0.23 0.02 -0.04 1.64 1.53 3h1dA1 LEU 4249 HD13 -0.51 -0.05 -0.04 -0.04 0.93 0.29 3h1dA1 LEU 4249 HD23 -0.10 -0.01 -0.03 -0.04 0.89 0.71 3h1dA1 LEU 4250 H -0.19 0.42 -0.37 -0.55 8.37 7.68 3h1dA1 LEU 4250 HA 0.02 -0.01 0.40 -0.75 4.35 4.01 3h1dA1 LEU 4250 HB2 -0.48 -0.04 0.06 -0.04 1.64 1.15 3h1dA1 LEU 4250 HB3 -0.29 0.11 0.15 -0.04 1.64 1.57 3h1dA1 LEU 4250 HG -0.15 0.06 -0.11 -0.04 1.64 1.40 3h1dA1 LEU 4250 HD13 -0.33 -0.02 -0.01 -0.04 0.93 0.53 3h1dA1 LEU 4250 HD23 -0.69 -0.01 -0.05 -0.04 0.89 0.10 3h1dA1 ILE 4251 H -0.06 0.52 -0.03 -0.55 8.25 8.13 3h1dA1 ILE 4251 HA 0.02 0.08 0.46 -0.75 4.18 3.98 3h1dA1 ILE 4251 HB 0.12 0.00 0.23 -0.04 1.89 2.20 3h1dA1 ILE 4251 HG12 0.20 0.01 0.01 -0.04 1.49 1.66 3h1dA1 ILE 4251 HG13 0.09 0.05 0.07 -0.04 1.21 1.38 3h1dA1 ILE 4251 HG23 0.15 0.00 -0.03 -0.04 0.93 1.01 3h1dA1 ILE 4251 HD13 0.35 -0.04 -0.05 -0.04 0.88 1.10 3h1dA1 SER 4252 H -0.08 0.59 0.07 -0.55 8.46 8.50 3h1dA1 SER 4252 HA -0.15 0.23 0.75 -0.75 4.49 4.57 3h1dA1 SER 4252 HB2 -0.48 -0.14 0.08 -0.04 3.95 3.37 3h1dA1 SER 4252 HB3 -0.52 0.10 0.09 -0.04 3.93 3.56 3h1dA1 GLY 4253 H -0.04 0.25 -0.31 -0.55 8.43 7.78 3h1dA1 GLY 4253 HA2 0.02 0.06 0.22 -0.51 4.01 3.80 3h1dA1 GLY 4253 HA3 0.01 0.07 0.41 -0.51 4.01 3.99 3h1dA1 LEU 4254 H 0.06 0.12 0.06 -0.55 8.37 8.06 3h1dA1 LEU 4254 HA 0.01 0.13 0.74 -0.75 4.35 4.48 3h1dA1 LEU 4254 HB2 0.13 0.01 0.09 -0.04 1.64 1.82 3h1dA1 LEU 4254 HB3 0.08 -0.03 0.12 -0.04 1.64 1.76 3h1dA1 LEU 4254 HG 0.00 0.01 -0.02 -0.04 1.64 1.59 3h1dA1 LEU 4254 HD13 0.20 -0.05 -0.06 -0.04 0.93 0.98 3h1dA1 LEU 4254 HD23 0.05 0.02 -0.25 -0.04 0.89 0.68 3h1dA1 PRO 4255 HA 0.05 0.04 0.35 -0.51 4.44 4.38 3h1dA1 PRO 4255 HB2 0.07 0.02 -0.13 -0.04 2.28 2.20 3h1dA1 PRO 4255 HB3 0.07 0.07 0.07 -0.04 2.02 2.19 3h1dA1 PRO 4255 HG2 0.07 -0.12 -0.04 -0.04 2.03 1.91 3h1dA1 PRO 4255 HG3 0.07 0.23 0.09 -0.04 2.03 2.38 3h1dA1 PRO 4255 HD2 0.03 -0.04 0.25 -0.04 3.68 3.88 3h1dA1 PRO 4255 HD3 0.06 0.36 0.10 -0.04 3.65 4.13 3h1dA1 THR 4256 H 0.05 0.13 0.15 -0.55 8.28 8.05 3h1dA1 THR 4256 HA 0.07 0.17 0.95 -0.75 4.39 4.83 3h1dA1 THR 4256 HB 0.05 -0.01 0.11 -0.04 4.32 4.42 3h1dA1 THR 4256 HG23 0.06 -0.03 -0.22 -0.04 1.22 0.99 3h1dA1 ILE 4257 H 0.10 0.21 0.01 -0.55 8.25 8.02 3h1dA1 ILE 4257 HA 0.22 0.17 0.85 -0.75 4.18 4.66 3h1dA1 ILE 4257 HB 0.14 -0.01 0.01 -0.04 1.89 1.99 3h1dA1 ILE 4257 HG12 0.23 0.05 -0.24 -0.04 1.49 1.50 3h1dA1 ILE 4257 HG13 0.13 -0.02 -0.64 -0.04 1.21 0.64 3h1dA1 ILE 4257 HG23 0.23 -0.01 -0.25 -0.04 0.93 0.86 3h1dA1 ILE 4257 HD13 0.14 -0.00 -0.30 -0.04 0.88 0.68 3h1dA1 ASP 4258 H 0.23 0.25 0.03 -0.55 8.40 8.36 3h1dA1 ASP 4258 HA 0.10 0.10 0.61 -0.75 4.63 4.69 3h1dA1 ASP 4258 HB2 0.09 0.12 0.08 -0.04 2.71 2.97 3h1dA1 ASP 4258 HB3 0.18 -0.01 0.21 -0.04 2.70 3.05 3h1dA1 ILE 4259 H 0.08 0.35 0.18 -0.55 8.25 8.32 3h1dA1 ILE 4259 HA 0.10 0.09 0.36 -0.75 4.18 3.98 3h1dA1 ILE 4259 HB 0.04 -0.00 0.10 -0.04 1.89 1.99 3h1dA1 ILE 4259 HG12 0.09 0.00 -0.06 -0.04 1.49 1.48 3h1dA1 ILE 4259 HG13 0.08 0.12 0.01 -0.04 1.21 1.39 3h1dA1 ILE 4259 HG23 0.15 0.01 -0.12 -0.04 0.93 0.93 3h1dA1 ILE 4259 HD13 0.03 0.03 -0.09 -0.04 0.88 0.81 3h1dA1 ASP 4260 H 0.01 0.11 -0.11 -0.55 8.40 7.87 3h1dA1 ASP 4260 HA -0.13 0.10 0.46 -0.75 4.63 4.31 3h1dA1 ASP 4260 HB2 0.00 -0.03 0.02 -0.04 2.71 2.66 3h1dA1 ASP 4260 HB3 -0.03 0.06 -0.02 -0.04 2.70 2.66 3h1dA1 ASP 4261 H 0.09 0.07 -0.34 -0.55 8.40 7.67 3h1dA1 ASP 4261 HA 0.08 0.09 0.42 -0.75 4.63 4.46 3h1dA1 ASP 4261 HB2 0.11 -0.01 0.09 -0.04 2.71 2.85 3h1dA1 ASP 4261 HB3 0.28 0.13 0.15 -0.04 2.70 3.22 3h1dA1 LEU 4262 H 0.16 0.41 -0.09 -0.55 8.37 8.30 3h1dA1 LEU 4262 HA 0.01 0.04 0.41 -0.75 4.35 4.06 3h1dA1 LEU 4262 HB2 -0.58 -0.02 0.03 -0.04 1.64 1.03 3h1dA1 LEU 4262 HB3 0.07 0.04 0.10 -0.04 1.64 1.81 3h1dA1 LEU 4262 HG 0.42 0.03 -0.28 -0.04 1.64 1.77 3h1dA1 LEU 4262 HD13 -0.78 0.01 -0.01 -0.04 0.93 0.11 3h1dA1 LEU 4262 HD23 -0.07 -0.01 -0.10 -0.04 0.89 0.67 3h1dA1 LYS 4263 H -0.20 0.68 -0.06 -0.55 8.42 8.29 3h1dA1 LYS 4263 HA -0.52 0.02 0.38 -0.75 4.32 3.44 3h1dA1 LYS 4263 HB2 -1.43 0.01 0.09 -0.04 1.87 0.49 3h1dA1 LYS 4263 HB3 -0.51 0.03 0.12 -0.04 1.79 1.38 3h1dA1 LYS 4263 HG2 -0.54 0.01 -0.15 -0.04 1.46 0.74 3h1dA1 LYS 4263 HG3 -1.82 -0.02 0.01 -0.04 1.46 -0.41 3h1dA1 LYS 4263 HD2 -1.02 -0.02 -0.04 -0.04 1.69 0.57 3h1dA1 LYS 4263 HD3 -0.48 -0.02 -0.04 -0.04 1.68 1.10 3h1dA1 LYS 4263 HE2 -0.50 0.02 -0.04 -0.04 2.99 2.43 3h1dA1 LYS 4263 HE3 -0.56 -0.02 -0.03 -0.04 2.99 2.34 3h1dA1 SER 4264 H -0.08 0.54 -0.22 -0.55 8.46 8.16 3h1dA1 SER 4264 HA -0.03 -0.00 0.46 -0.75 4.49 4.16 3h1dA1 SER 4264 HB2 0.03 0.06 0.06 -0.04 3.95 4.05 3h1dA1 SER 4264 HB3 0.01 -0.07 0.12 -0.04 3.93 3.95 3h1dA1 ASN 4265 H 0.09 0.42 -0.81 -0.55 8.53 7.68 3h1dA1 ASN 4265 HA 0.08 0.13 0.85 -0.75 4.76 5.06 3h1dA1 ASN 4265 HB2 0.20 0.04 0.01 -0.04 2.88 3.09 3h1dA1 ASN 4265 HB3 0.16 0.01 0.02 -0.04 2.79 2.94 3h1dA1 ASN 4265 HD21 0.08 -0.07 -0.08 -0.04 7.03 6.91 3h1dA1 ASN 4265 HD22 0.14 0.44 -0.02 -0.04 7.74 8.25 3h1dA1 THR 4266 H 0.07 0.28 -0.11 -0.55 8.28 7.97 3h1dA1 THR 4266 HA 0.05 0.36 0.95 -0.75 4.39 5.00 3h1dA1 THR 4266 HB 0.19 -0.00 0.08 -0.04 4.32 4.55 3h1dA1 THR 4266 HG23 -0.51 -0.03 -0.22 -0.04 1.22 0.42 3h1dA1 GLU 4267 H -0.23 0.75 0.37 -0.55 8.60 8.93 3h1dA1 GLU 4267 HA -0.23 0.13 0.94 -0.75 4.29 4.38 3h1dA1 GLU 4267 HB2 -0.03 0.03 0.01 -0.04 2.09 2.06 3h1dA1 GLU 4267 HB3 -0.15 -0.05 0.06 -0.04 1.99 1.81 3h1dA1 GLU 4267 HG2 -0.03 0.00 -0.12 -0.04 2.34 2.14 3h1dA1 GLU 4267 HG3 -0.02 0.09 -0.22 -0.04 2.34 2.15 3h1dA1 TYR 4268 H -0.17 0.20 0.20 -0.55 8.29 7.97 3h1dA1 TYR 4268 HA -0.08 0.32 1.05 -0.75 4.56 5.09 3h1dA1 TYR 4268 HB2 -0.07 -0.05 -0.01 -0.04 3.06 2.89 3h1dA1 TYR 4268 HB3 0.00 -0.04 -0.22 -0.04 2.98 2.68 3h1dA1 TYR 4268 HD2 -0.02 -0.01 -0.11 -0.04 7.15 6.97 3h1dA1 TYR 4268 HE2 0.08 0.02 -0.10 -0.04 6.85 6.82 3h1dA1 HIS 4269 H 0.03 0.66 0.34 -0.55 8.41 8.90 3h1dA1 HIS 4269 HA -0.13 0.14 0.99 -0.75 4.63 4.87 3h1dA1 HIS 4269 HB2 -1.07 -0.00 0.11 -0.04 3.26 2.26 3h1dA1 HIS 4269 HB3 -0.40 -0.01 0.03 -0.04 3.20 2.78 3h1dA1 HIS 4269 HD2 -0.34 0.04 -0.40 -0.04 6.97 6.23 3h1dA1 HIS 4269 HE1 -0.05 -0.00 -0.05 -0.04 7.75 7.59 3h1dA1 LYS 4270 H -0.05 0.22 0.16 -0.55 8.42 8.20 3h1dA1 LYS 4270 HA -0.08 0.03 0.36 -0.75 4.32 3.87 3h1dA1 LYS 4270 HB2 -0.16 0.13 0.26 -0.04 1.87 2.06 3h1dA1 LYS 4270 HB3 -0.16 -0.02 0.23 -0.04 1.79 1.80 3h1dA1 LYS 4270 HG2 -0.05 -0.00 0.03 -0.04 1.46 1.40 3h1dA1 LYS 4270 HG3 -0.04 -0.02 -0.24 -0.04 1.46 1.12 3h1dA1 LYS 4270 HD2 -0.06 -0.02 0.02 -0.04 1.69 1.59 3h1dA1 LYS 4270 HD3 -0.03 0.00 -0.01 -0.04 1.68 1.60 3h1dA1 LYS 4270 HE2 -0.12 -0.04 0.05 -0.04 2.99 2.84 3h1dA1 LYS 4270 HE3 -0.05 -0.07 0.01 -0.04 2.99 2.84 3h1dA1 TYR 4271 H 0.04 0.12 -0.70 -0.55 8.29 7.20 3h1dA1 TYR 4271 HA -0.06 0.11 0.44 -0.75 4.56 4.30 3h1dA1 TYR 4271 HB2 0.03 0.04 -0.13 -0.04 3.06 2.96 3h1dA1 TYR 4271 HB3 -0.11 0.08 -0.08 -0.04 2.98 2.83 3h1dA1 TYR 4271 HD2 -0.03 -0.03 -0.15 -0.04 7.15 6.90 3h1dA1 TYR 4271 HE2 -0.03 0.05 -0.07 -0.04 6.85 6.76 3h1dA1 GLN 4272 H 0.02 0.08 0.12 -0.55 8.47 8.15 3h1dA1 GLN 4272 HA -0.07 0.34 0.90 -0.75 4.36 4.77 3h1dA1 GLN 4272 HB2 -0.07 -0.12 0.01 -0.04 2.15 1.94 3h1dA1 GLN 4272 HB3 -0.07 0.01 0.14 -0.04 2.02 2.06 3h1dA1 GLN 4272 HG2 -0.03 0.11 -0.04 -0.04 2.40 2.40 3h1dA1 GLN 4272 HG3 -0.02 -0.06 -0.34 -0.04 2.39 1.92 3h1dA1 GLN 4272 HE21 -0.02 0.03 -0.04 -0.04 6.97 6.89 3h1dA1 GLN 4272 HE22 -0.02 0.02 -0.09 -0.04 7.69 7.56 3h1dA1 SER 4273 H -0.18 0.22 0.12 -0.55 8.46 8.07 3h1dA1 SER 4273 HA -0.85 0.13 0.29 -0.75 4.49 3.31 3h1dA1 SER 4273 HB2 -0.05 0.04 0.13 -0.04 3.95 4.03 3h1dA1 SER 4273 HB3 -0.08 -0.03 0.01 -0.04 3.93 3.79 3h1dA1 ASN 4274 H -0.13 -0.04 -0.40 -0.55 8.53 7.40 3h1dA1 ASN 4274 HA -0.09 0.29 0.87 -0.75 4.76 5.07 3h1dA1 ASN 4274 HB2 -0.06 0.02 0.09 -0.04 2.88 2.89 3h1dA1 ASN 4274 HB3 -0.06 0.03 -0.06 -0.04 2.79 2.66 3h1dA1 ASN 4274 HD21 -0.04 0.01 -0.04 -0.04 7.03 6.91 3h1dA1 ASN 4274 HD22 -0.04 0.04 -0.03 -0.04 7.74 7.67 3h1dA1 SER 4275 H -0.15 0.29 -0.21 -0.55 8.46 7.85 3h1dA1 SER 4275 HA -0.10 0.07 0.48 -0.75 4.49 4.19 3h1dA1 SER 4275 HB2 -0.19 0.06 0.07 -0.04 3.95 3.85 3h1dA1 SER 4275 HB3 0.01 -0.00 0.09 -0.04 3.93 3.99 3h1dA1 ILE 4276 H -0.22 0.16 0.19 -0.55 8.25 7.82 3h1dA1 ILE 4276 HA -0.42 0.16 0.22 -0.75 4.18 3.38 3h1dA1 ILE 4276 HB -0.36 0.05 0.14 -0.04 1.89 1.68 3h1dA1 ILE 4276 HG12 -2.21 -0.05 -0.09 -0.04 1.49 -0.90 3h1dA1 ILE 4276 HG13 -0.60 0.02 0.06 -0.04 1.21 0.65 3h1dA1 ILE 4276 HG23 -0.61 0.02 -0.01 -0.04 0.93 0.29 3h1dA1 ILE 4276 HD13 -0.20 0.02 -0.00 -0.04 0.88 0.66 3h1dA1 GLN 4277 H -0.35 0.11 -0.12 -0.55 8.47 7.55 3h1dA1 GLN 4277 HA -0.01 0.05 0.34 -0.75 4.36 3.99 3h1dA1 GLN 4277 HB2 -0.43 -0.02 -0.01 -0.04 2.15 1.64 3h1dA1 GLN 4277 HB3 -0.08 0.09 -0.02 -0.04 2.02 1.96 3h1dA1 GLN 4277 HG2 0.16 0.05 0.10 -0.04 2.40 2.66 3h1dA1 GLN 4277 HG3 0.29 0.04 -0.01 -0.04 2.39 2.67 3h1dA1 GLN 4277 HE21 0.03 -0.06 -0.04 -0.04 6.97 6.86 3h1dA1 GLN 4277 HE22 0.21 0.61 -0.15 -0.04 7.69 8.32 3h1dA1 ILE 4278 H -0.35 0.16 -0.51 -0.55 8.25 7.00 3h1dA1 ILE 4278 HA -0.13 0.08 0.53 -0.75 4.18 3.91 3h1dA1 ILE 4278 HB -0.21 0.18 -0.04 -0.04 1.89 1.78 3h1dA1 ILE 4278 HG12 -0.63 -0.17 -0.09 -0.04 1.49 0.56 3h1dA1 ILE 4278 HG13 -0.43 0.09 -0.15 -0.04 1.21 0.68 3h1dA1 ILE 4278 HG23 0.07 -0.01 -0.13 -0.04 0.93 0.82 3h1dA1 ILE 4278 HD13 -0.22 0.01 -0.16 -0.04 0.88 0.47 3h1dA1 GLN 4279 H -0.11 0.45 -0.09 -0.55 8.47 8.17 3h1dA1 GLN 4279 HA 0.22 0.05 0.46 -0.75 4.36 4.34 3h1dA1 GLN 4279 HB2 -0.16 0.08 0.10 -0.04 2.15 2.13 3h1dA1 GLN 4279 HB3 0.05 -0.05 0.04 -0.04 2.02 2.02 3h1dA1 GLN 4279 HG2 0.00 0.00 0.03 -0.04 2.40 2.40 3h1dA1 GLN 4279 HG3 -0.11 0.19 -0.07 -0.04 2.39 2.36 3h1dA1 GLN 4279 HE21 -0.09 -0.10 0.01 -0.04 6.97 6.75 3h1dA1 GLN 4279 HE22 -0.11 0.50 -0.02 -0.04 7.69 8.02 3h1dA1 TRP 4280 H 0.10 0.44 -0.30 -0.55 7.97 7.67 3h1dA1 TRP 4280 HA 0.28 0.01 0.40 -0.75 4.62 4.56 3h1dA1 TRP 4280 HB2 0.13 0.12 0.09 -0.04 3.23 3.53 3h1dA1 TRP 4280 HB3 0.25 -0.05 -0.03 -0.04 3.23 3.36 3h1dA1 TRP 4280 HD1 0.11 0.02 -0.11 -0.04 7.22 7.19 3h1dA1 TRP 4280 HE1 0.06 0.02 -0.02 -0.04 10.20 10.22 3h1dA1 TRP 4280 HE3 0.13 0.05 -0.23 -0.04 7.59 7.50 3h1dA1 TRP 4280 HZ2 0.08 0.04 -0.02 -0.04 7.44 7.50 3h1dA1 TRP 4280 HZ3 0.12 0.31 -0.47 -0.04 7.13 7.05 3h1dA1 TRP 4280 HH2 0.08 0.23 -0.24 -0.04 7.19 7.22 3h1dA1 PHE 4281 H 0.28 0.43 -0.27 -0.55 8.34 8.23 3h1dA1 PHE 4281 HA -0.07 -0.01 0.36 -0.75 4.62 4.15 3h1dA1 PHE 4281 HB2 -0.13 0.03 0.10 -0.04 3.15 3.10 3h1dA1 PHE 4281 HB3 -0.32 0.10 0.21 -0.04 3.06 3.02 3h1dA1 PHE 4281 HD2 -1.03 0.01 -0.09 -0.04 7.28 6.14 3h1dA1 PHE 4281 HE2 -1.25 0.02 -0.12 -0.04 7.38 5.99 3h1dA1 PHE 4281 HZ -0.47 0.03 -0.12 -0.04 7.32 6.71 3h1dA1 TRP 4282 H 0.12 0.55 -0.14 -0.55 7.97 7.96 3h1dA1 TRP 4282 HA -0.32 0.02 0.42 -0.75 4.62 3.98 3h1dA1 TRP 4282 HB2 0.05 0.08 0.10 -0.04 3.23 3.42 3h1dA1 TRP 4282 HB3 -0.01 -0.05 0.01 -0.04 3.23 3.14 3h1dA1 TRP 4282 HD1 0.15 0.06 -0.09 -0.04 7.22 7.30 3h1dA1 TRP 4282 HE1 0.40 0.00 -0.06 -0.04 10.20 10.51 3h1dA1 TRP 4282 HE3 -0.08 -0.06 -0.00 -0.04 7.59 7.41 3h1dA1 TRP 4282 HZ2 0.30 0.07 -0.08 -0.04 7.44 7.70 3h1dA1 TRP 4282 HZ3 0.06 -0.04 -0.07 -0.04 7.13 7.04 3h1dA1 TRP 4282 HH2 0.36 0.05 -0.32 -0.04 7.19 7.25 3h1dA1 ARG 4283 H 0.21 0.48 -0.23 -0.55 8.46 8.37 3h1dA1 ARG 4283 HA 0.05 0.01 0.33 -0.75 4.34 3.97 3h1dA1 ARG 4283 HB2 0.03 -0.01 0.09 -0.04 1.90 1.96 3h1dA1 ARG 4283 HB3 0.19 0.06 0.16 -0.04 1.80 2.16 3h1dA1 ARG 4283 HG2 -0.31 -0.02 -0.20 -0.04 1.67 1.10 3h1dA1 ARG 4283 HG3 -0.06 -0.01 -0.02 -0.04 1.67 1.54 3h1dA1 ARG 4283 HD2 -0.44 -0.02 -0.04 -0.04 3.22 2.68 3h1dA1 ARG 4283 HD3 -0.17 0.00 -0.01 -0.04 3.22 2.99 3h1dA1 ALA 4284 H 0.09 0.65 -0.17 -0.55 8.40 8.42 3h1dA1 ALA 4284 HA -0.08 -0.01 0.40 -0.75 4.34 3.90 3h1dA1 ALA 4284 HB3 -0.36 0.00 0.07 -0.04 1.41 1.08 3h1dA1 LEU 4285 H -0.70 0.65 -0.07 -0.55 8.37 7.71 3h1dA1 LEU 4285 HA -1.16 -0.00 0.28 -0.75 4.35 2.72 3h1dA1 LEU 4285 HB2 -1.21 0.03 0.07 -0.04 1.64 0.50 3h1dA1 LEU 4285 HB3 -0.47 0.05 0.14 -0.04 1.64 1.31 3h1dA1 LEU 4285 HG -0.18 -0.03 -0.15 -0.04 1.64 1.24 3h1dA1 LEU 4285 HD13 -0.41 -0.00 0.01 -0.04 0.93 0.49 3h1dA1 LEU 4285 HD23 -0.34 -0.01 -0.07 -0.04 0.89 0.43 3h1dA1 ARG 4286 H -0.18 0.59 -0.15 -0.55 8.46 8.16 3h1dA1 ARG 4286 HA -0.04 -0.02 0.39 -0.75 4.34 3.92 3h1dA1 ARG 4286 HB2 -0.02 0.12 0.11 -0.04 1.90 2.07 3h1dA1 ARG 4286 HB3 -0.01 -0.06 0.04 -0.04 1.80 1.73 3h1dA1 ARG 4286 HG2 0.02 -0.10 0.03 -0.04 1.67 1.59 3h1dA1 ARG 4286 HG3 0.06 0.10 0.04 -0.04 1.67 1.84 3h1dA1 ARG 4286 HD2 0.02 0.02 -0.05 -0.04 3.22 3.17 3h1dA1 ARG 4286 HD3 0.01 -0.05 -0.01 -0.04 3.22 3.13 3h1dA1 SER 4287 H -0.20 0.35 -0.49 -0.55 8.46 7.59 3h1dA1 SER 4287 HA 0.02 0.02 0.54 -0.75 4.49 4.31 3h1dA1 SER 4287 HB2 0.07 -0.13 0.11 -0.04 3.95 3.96 3h1dA1 SER 4287 HB3 0.03 0.10 0.11 -0.04 3.93 4.13 3h1dA1 PHE 4288 H -0.13 0.49 -0.32 -0.55 8.34 7.83 3h1dA1 PHE 4288 HA -0.01 -0.02 0.56 -0.75 4.62 4.39 3h1dA1 PHE 4288 HB2 -0.04 0.19 0.06 -0.04 3.15 3.31 3h1dA1 PHE 4288 HB3 -0.02 -0.19 -0.02 -0.04 3.06 2.79 3h1dA1 PHE 4288 HD2 -0.07 -0.00 -0.19 -0.04 7.28 6.98 3h1dA1 PHE 4288 HE2 -0.12 -0.03 -0.12 -0.04 7.38 7.08 3h1dA1 PHE 4288 HZ -0.13 -0.03 -0.10 -0.04 7.32 7.02 3h1dA1 ASP 4289 H 0.11 0.03 0.17 -0.55 8.40 8.16 3h1dA1 ASP 4289 HA 0.09 0.30 0.76 -0.75 4.63 5.02 3h1dA1 ASP 4289 HB2 0.06 -0.08 0.21 -0.04 2.71 2.86 3h1dA1 ASP 4289 HB3 0.06 0.14 0.14 -0.04 2.70 2.99 3h1dA1 GLN 4290 H 0.07 0.18 0.17 -0.55 8.47 8.34 3h1dA1 GLN 4290 HA 0.08 0.13 0.25 -0.75 4.36 4.06 3h1dA1 GLN 4290 HB2 0.07 0.14 0.03 -0.04 2.15 2.35 3h1dA1 GLN 4290 HB3 0.07 0.06 0.14 -0.04 2.02 2.24 3h1dA1 GLN 4290 HG2 0.10 -0.15 0.11 -0.04 2.40 2.42 3h1dA1 GLN 4290 HG3 0.08 0.11 0.06 -0.04 2.39 2.59 3h1dA1 GLN 4290 HE21 0.05 0.06 0.08 -0.04 6.97 7.12 3h1dA1 GLN 4290 HE22 0.07 -0.01 0.07 -0.04 7.69 7.78 3h1dA1 ALA 4291 H 0.08 0.04 -0.10 -0.55 8.40 7.87 3h1dA1 ALA 4291 HA 0.00 0.15 0.34 -0.75 4.34 4.08 3h1dA1 ALA 4291 HB3 0.10 0.01 0.07 -0.04 1.41 1.54 3h1dA1 ASP 4292 H 0.02 0.05 -0.26 -0.55 8.40 7.66 3h1dA1 ASP 4292 HA -0.08 0.08 0.47 -0.75 4.63 4.35 3h1dA1 ASP 4292 HB2 -0.09 -0.06 0.13 -0.04 2.71 2.65 3h1dA1 ASP 4292 HB3 -0.50 0.07 0.03 -0.04 2.70 2.26 3h1dA1 ARG 4293 H 0.11 0.65 -0.18 -0.55 8.46 8.49 3h1dA1 ARG 4293 HA 0.24 0.05 0.52 -0.75 4.34 4.39 3h1dA1 ARG 4293 HB2 0.11 0.11 0.07 -0.04 1.90 2.15 3h1dA1 ARG 4293 HB3 0.13 -0.08 -0.03 -0.04 1.80 1.78 3h1dA1 ARG 4293 HG2 0.10 0.02 -0.02 -0.04 1.67 1.73 3h1dA1 ARG 4293 HG3 0.17 0.06 -0.22 -0.04 1.67 1.64 3h1dA1 ARG 4293 HD2 0.09 -0.11 -0.11 -0.04 3.22 3.04 3h1dA1 ARG 4293 HD3 0.08 -0.08 -0.01 -0.04 3.22 3.17 3h1dA1 ALA 4294 H 0.07 0.49 -0.17 -0.55 8.40 8.24 3h1dA1 ALA 4294 HA 0.09 0.03 0.39 -0.75 4.34 4.10 3h1dA1 ALA 4294 HB3 0.00 0.05 0.10 -0.04 1.41 1.52 3h1dA1 LYS 4295 H 0.01 0.51 -0.12 -0.55 8.42 8.27 3h1dA1 LYS 4295 HA -0.02 0.00 0.36 -0.75 4.32 3.90 3h1dA1 LYS 4295 HB2 -0.04 0.01 0.04 -0.04 1.87 1.84 3h1dA1 LYS 4295 HB3 -0.04 0.13 -0.06 -0.04 1.79 1.78 3h1dA1 LYS 4295 HG2 -0.10 -0.06 -0.07 -0.04 1.46 1.19 3h1dA1 LYS 4295 HG3 -0.11 0.09 -0.01 -0.04 1.46 1.38 3h1dA1 LYS 4295 HD2 -0.08 -0.07 -0.13 -0.04 1.69 1.36 3h1dA1 LYS 4295 HD3 -0.08 0.11 -0.08 -0.04 1.68 1.59 3h1dA1 LYS 4295 HE2 -0.11 -0.06 -0.08 -0.04 2.99 2.70 3h1dA1 LYS 4295 HE3 -0.16 -0.06 -0.07 -0.04 2.99 2.66 3h1dA1 PHE 4296 H 0.20 0.44 -0.44 -0.55 8.34 8.00 3h1dA1 PHE 4296 HA 0.11 0.03 0.43 -0.75 4.62 4.44 3h1dA1 PHE 4296 HB2 0.16 0.00 0.08 -0.04 3.15 3.35 3h1dA1 PHE 4296 HB3 0.09 0.16 0.16 -0.04 3.06 3.43 3h1dA1 PHE 4296 HD2 0.09 0.03 -0.12 -0.04 7.28 7.24 3h1dA1 PHE 4296 HE2 -0.01 -0.01 -0.13 -0.04 7.38 7.19 3h1dA1 PHE 4296 HZ 0.30 -0.01 -0.13 -0.04 7.32 7.44 3h1dA1 LEU 4297 H 0.15 0.51 -0.12 -0.55 8.37 8.37 3h1dA1 LEU 4297 HA -0.22 -0.04 0.40 -0.75 4.35 3.73 3h1dA1 LEU 4297 HB2 0.11 -0.04 0.07 -0.04 1.64 1.74 3h1dA1 LEU 4297 HB3 0.05 0.13 0.11 -0.04 1.64 1.90 3h1dA1 LEU 4297 HG 0.03 0.19 -0.14 -0.04 1.64 1.68 3h1dA1 LEU 4297 HD13 0.09 -0.03 -0.03 -0.04 0.93 0.92 3h1dA1 LEU 4297 HD23 0.17 -0.01 -0.29 -0.04 0.89 0.71 3h1dA1 GLN 4298 H -0.00 0.52 -0.27 -0.55 8.47 8.17 3h1dA1 GLN 4298 HA -0.02 -0.02 0.16 -0.75 4.36 3.72 3h1dA1 GLN 4298 HB2 0.00 0.13 0.10 -0.04 2.15 2.34 3h1dA1 GLN 4298 HB3 0.01 -0.05 -0.16 -0.04 2.02 1.78 3h1dA1 GLN 4298 HG2 0.01 -0.16 -0.32 -0.04 2.40 1.90 3h1dA1 GLN 4298 HG3 0.00 0.14 -0.19 -0.04 2.39 2.30 3h1dA1 GLN 4298 HE21 -0.13 0.32 0.11 -0.04 6.97 7.23 3h1dA1 GLN 4298 HE22 -0.02 -0.09 -0.04 -0.04 7.69 7.49 3h1dA1 PHE 4299 H 0.06 0.73 -0.15 -0.55 8.34 8.43 3h1dA1 PHE 4299 HA -0.09 -0.02 0.38 -0.75 4.62 4.13 3h1dA1 PHE 4299 HB2 -0.08 0.09 0.12 -0.04 3.15 3.25 3h1dA1 PHE 4299 HB3 -0.28 0.12 0.15 -0.04 3.06 3.01 3h1dA1 PHE 4299 HD2 -0.06 -0.00 -0.07 -0.04 7.28 7.11 3h1dA1 PHE 4299 HE2 0.04 -0.05 -0.13 -0.04 7.38 7.19 3h1dA1 PHE 4299 HZ 0.01 0.08 -0.23 -0.04 7.32 7.14 3h1dA1 VAL 4300 H -0.34 0.48 -0.23 -0.55 8.24 7.59 3h1dA1 VAL 4300 HA -0.41 0.09 0.50 -0.75 4.13 3.55 3h1dA1 VAL 4300 HB -0.02 -0.05 -0.24 -0.04 2.12 1.77 3h1dA1 VAL 4300 HG13 -0.28 -0.00 -0.17 -0.04 0.97 0.48 3h1dA1 VAL 4300 HG23 -0.64 0.05 -0.10 -0.04 0.95 0.22 3h1dA1 THR 4301 H -0.16 0.61 0.04 -0.55 8.28 8.21 3h1dA1 THR 4301 HA -0.07 0.19 1.08 -0.75 4.39 4.83 3h1dA1 THR 4301 HB -0.02 -0.01 0.15 -0.04 4.32 4.40 3h1dA1 THR 4301 HG23 -0.03 -0.01 -0.04 -0.04 1.22 1.09 3h1dA1 GLY 4302 H -0.09 0.48 0.00 -0.55 8.43 8.27 3h1dA1 GLY 4302 HA2 -0.05 0.03 0.34 -0.51 4.01 3.82 3h1dA1 GLY 4302 HA3 -0.06 0.08 0.63 -0.51 4.01 4.16 3h1dA1 THR 4303 H -0.04 0.26 -0.24 -0.55 8.28 7.71 3h1dA1 THR 4303 HA 0.04 0.14 0.67 -0.75 4.39 4.49 3h1dA1 THR 4303 HB -0.05 0.07 -0.32 -0.04 4.32 3.97 3h1dA1 THR 4303 HG23 -0.17 -0.17 -0.20 -0.04 1.22 0.65 3h1dA1 SER 4304 H 0.09 0.18 0.04 -0.55 8.46 8.22 3h1dA1 SER 4304 HA 0.03 0.17 0.67 -0.75 4.49 4.61 3h1dA1 SER 4304 HB2 0.06 0.02 0.12 -0.04 3.95 4.11 3h1dA1 SER 4304 HB3 0.03 -0.01 -0.02 -0.04 3.93 3.89 3h1dA1 LYS 4305 H -0.20 0.00 -0.37 -0.55 8.42 7.29 3h1dA1 LYS 4305 HA -0.06 0.13 0.57 -0.75 4.32 4.21 3h1dA1 LYS 4305 HB2 -1.26 -0.02 -0.04 -0.04 1.87 0.51 3h1dA1 LYS 4305 HB3 -0.39 -0.02 -0.02 -0.04 1.79 1.31 3h1dA1 LYS 4305 HG2 -0.15 0.11 -0.38 -0.04 1.46 1.01 3h1dA1 LYS 4305 HG3 -0.13 0.02 -0.07 -0.04 1.46 1.24 3h1dA1 LYS 4305 HD2 -0.42 0.03 -0.08 -0.04 1.69 1.18 3h1dA1 LYS 4305 HD3 -0.23 -0.05 -0.11 -0.04 1.68 1.25 3h1dA1 LYS 4305 HE2 -0.06 -0.04 -0.09 -0.04 2.99 2.76 3h1dA1 LYS 4305 HE3 0.01 0.02 -0.06 -0.04 2.99 2.92 3h1dA1 VAL 4306 H -0.02 0.16 0.11 -0.55 8.24 7.93 3h1dA1 VAL 4306 HA -0.13 0.12 0.53 -0.75 4.13 3.90 3h1dA1 VAL 4306 HB -0.08 -0.02 0.06 -0.04 2.12 2.05 3h1dA1 VAL 4306 HG13 -0.41 0.02 -0.10 -0.04 0.97 0.44 3h1dA1 VAL 4306 HG23 0.06 0.05 -0.05 -0.04 0.95 0.98 3h1dA1 PRO 4307 HA -0.09 0.11 0.35 -0.51 4.44 4.30 3h1dA1 PRO 4307 HB2 -0.12 0.02 -0.18 -0.04 2.28 1.96 3h1dA1 PRO 4307 HB3 -0.06 0.09 -0.08 -0.04 2.02 1.93 3h1dA1 PRO 4307 HG2 -0.05 0.01 -0.20 -0.04 2.03 1.74 3h1dA1 PRO 4307 HG3 -0.05 0.11 -0.06 -0.04 2.03 1.99 3h1dA1 PRO 4307 HD2 -0.59 -0.06 -0.07 -0.04 3.68 2.92 3h1dA1 PRO 4307 HD3 -0.16 0.23 0.14 -0.04 3.65 3.83 3h1dA1 LEU 4308 H -0.06 0.17 0.13 -0.55 8.37 8.07 3h1dA1 LEU 4308 HA -0.05 0.09 0.32 -0.75 4.35 3.96 3h1dA1 LEU 4308 HB2 -0.03 0.04 0.15 -0.04 1.64 1.76 3h1dA1 LEU 4308 HB3 -0.03 -0.03 0.07 -0.04 1.64 1.61 3h1dA1 LEU 4308 HG -0.02 -0.01 -0.06 -0.04 1.64 1.51 3h1dA1 LEU 4308 HD13 -0.01 0.01 0.04 -0.04 0.93 0.92 3h1dA1 LEU 4308 HD23 -0.01 0.00 -0.00 -0.04 0.89 0.84 3h1dA1 GLN 4309 H -0.05 0.08 -0.28 -0.55 8.47 7.68 3h1dA1 GLN 4309 HA -0.03 0.16 0.58 -0.75 4.36 4.31 3h1dA1 GLN 4309 HB2 -0.02 0.02 -0.01 -0.04 2.15 2.10 3h1dA1 GLN 4309 HB3 -0.01 -0.01 0.11 -0.04 2.02 2.06 3h1dA1 GLN 4309 HG2 -0.01 0.02 -0.03 -0.04 2.40 2.33 3h1dA1 GLN 4309 HG3 -0.02 -0.06 -0.11 -0.04 2.39 2.16 3h1dA1 GLN 4309 HE21 -0.00 0.00 -0.02 -0.04 6.97 6.91 3h1dA1 GLN 4309 HE22 -0.00 -0.01 -0.02 -0.04 7.69 7.62 3h1dA1 GLY 4310 H -0.14 0.64 -0.53 -0.55 8.43 7.86 3h1dA1 GLY 4310 HA2 -0.30 0.08 0.26 -0.51 4.01 3.54 3h1dA1 GLY 4310 HA3 -0.09 0.07 0.55 -0.51 4.01 4.03 3h1dA1 PHE 4311 H 0.02 0.13 0.07 -0.55 8.34 8.01 3h1dA1 PHE 4311 HA 0.05 0.10 0.26 -0.75 4.62 4.28 3h1dA1 PHE 4311 HB2 0.08 0.08 -0.11 -0.04 3.15 3.16 3h1dA1 PHE 4311 HB3 0.11 0.11 0.12 -0.04 3.06 3.36 3h1dA1 PHE 4311 HD2 0.06 -0.02 -0.05 -0.04 7.28 7.23 3h1dA1 PHE 4311 HE2 0.04 -0.00 -0.04 -0.04 7.38 7.33 3h1dA1 PHE 4311 HZ 0.05 0.03 -0.07 -0.04 7.32 7.28 3h1dA1 ALA 4312 H 0.10 0.08 -0.26 -0.55 8.40 7.78 3h1dA1 ALA 4312 HA 0.10 0.12 0.55 -0.75 4.34 4.36 3h1dA1 ALA 4312 HB3 0.05 0.02 0.03 -0.04 1.41 1.47 3h1dA1 ALA 4313 H 0.04 0.41 -0.53 -0.55 8.40 7.77 3h1dA1 ALA 4313 HA 0.03 0.20 0.77 -0.75 4.34 4.59 3h1dA1 ALA 4313 HB3 -0.01 -0.02 -0.08 -0.04 1.41 1.26 3h1dA1 LEU 4314 H 0.11 0.29 -0.21 -0.55 8.37 8.01 3h1dA1 LEU 4314 HA 0.05 -0.01 0.52 -0.75 4.35 4.16 3h1dA1 LEU 4314 HB2 0.18 0.08 0.14 -0.04 1.64 2.00 3h1dA1 LEU 4314 HB3 0.12 0.27 -0.12 -0.04 1.64 1.86 3h1dA1 LEU 4314 HG 0.44 -0.11 0.10 -0.04 1.64 2.03 3h1dA1 LEU 4314 HD13 0.20 -0.02 0.05 -0.04 0.93 1.11 3h1dA1 LEU 4314 HD23 0.13 0.01 0.05 -0.04 0.89 1.04 3h1dA1 GLU 4315 H 0.02 0.14 0.21 -0.55 8.60 8.43 3h1dA1 GLU 4315 HA 0.03 -0.00 0.93 -0.75 4.29 4.49 3h1dA1 GLU 4315 HB2 -0.01 -0.08 0.09 -0.04 2.09 2.05 3h1dA1 GLU 4315 HB3 -0.01 0.18 -0.03 -0.04 1.99 2.10 3h1dA1 GLU 4315 HG2 0.01 -0.08 -0.45 -0.04 2.34 1.78 3h1dA1 GLU 4315 HG3 0.01 0.17 -0.22 -0.04 2.34 2.26 3h1dA1 GLY 4316 H 0.02 0.45 0.04 -0.55 8.43 8.39 3h1dA1 GLY 4316 HA2 -0.07 0.30 0.86 -0.51 4.01 4.59 3h1dA1 GLY 4316 HA3 -0.02 -0.08 0.41 -0.51 4.01 3.82 3h1dA1 MET 4317 H -0.06 0.13 0.16 -0.55 8.47 8.15 3h1dA1 MET 4317 HA -0.03 0.18 0.57 -0.75 4.52 4.48 3h1dA1 MET 4317 HB2 -0.05 0.02 0.18 -0.04 2.15 2.26 3h1dA1 MET 4317 HB3 0.04 -0.06 0.16 -0.04 2.03 2.13 3h1dA1 MET 4317 HG2 0.14 -0.04 0.02 -0.04 2.63 2.71 3h1dA1 MET 4317 HG3 0.05 0.03 -0.02 -0.04 2.56 2.58 3h1dA1 MET 4317 HE3 0.15 -0.02 0.05 -0.04 2.10 2.24 3h1dA1 ASN 4318 H 0.03 0.09 -0.07 -0.55 8.53 8.04 3h1dA1 ASN 4318 HA 0.01 0.24 0.86 -0.75 4.76 5.12 3h1dA1 ASN 4318 HB2 0.04 -0.00 0.14 -0.04 2.88 3.02 3h1dA1 ASN 4318 HB3 0.02 0.01 0.17 -0.04 2.79 2.95 3h1dA1 ASN 4318 HD21 0.05 -0.01 -0.02 -0.04 7.03 7.01 3h1dA1 ASN 4318 HD22 0.05 0.01 0.02 -0.04 7.74 7.78 3h1dA1 GLY 4319 H 0.01 0.31 -0.30 -0.55 8.43 7.90 3h1dA1 GLY 4319 HA2 0.01 0.02 0.24 -0.51 4.01 3.77 3h1dA1 GLY 4319 HA3 0.02 0.21 0.97 -0.51 4.01 4.69 3h1dA1 ILE 4320 H 0.03 0.08 0.13 -0.55 8.25 7.93 3h1dA1 ILE 4320 HA 0.03 0.20 0.40 -0.75 4.18 4.06 3h1dA1 ILE 4320 HB 0.03 -0.09 0.14 -0.04 1.89 1.92 3h1dA1 ILE 4320 HG12 0.03 0.14 -0.11 -0.04 1.49 1.51 3h1dA1 ILE 4320 HG13 0.02 -0.14 0.01 -0.04 1.21 1.05 3h1dA1 ILE 4320 HG23 0.05 0.05 -0.11 -0.04 0.93 0.87 3h1dA1 ILE 4320 HD13 0.03 0.04 0.04 -0.04 0.88 0.95 3h1dA1 GLN 4321 H 0.06 0.78 0.10 -0.55 8.47 8.86 3h1dA1 GLN 4321 HA 0.07 0.01 0.44 -0.75 4.36 4.13 3h1dA1 GLN 4321 HB2 0.07 -0.05 -0.11 -0.04 2.15 2.01 3h1dA1 GLN 4321 HB3 0.05 -0.00 -0.19 -0.04 2.02 1.84 3h1dA1 GLN 4321 HG2 0.11 -0.07 -0.15 -0.04 2.40 2.25 3h1dA1 GLN 4321 HG3 0.10 0.27 -0.27 -0.04 2.39 2.45 3h1dA1 GLN 4321 HE21 0.23 -0.08 0.00 -0.04 6.97 7.08 3h1dA1 GLN 4321 HE22 0.31 -0.03 0.06 -0.04 7.69 7.99 3h1dA1 LYS 4322 H 0.08 0.02 -0.02 -0.55 8.42 7.94 3h1dA1 LYS 4322 HA 0.15 0.07 0.47 -0.75 4.32 4.25 3h1dA1 LYS 4322 HB2 0.07 -0.13 0.01 -0.04 1.87 1.77 3h1dA1 LYS 4322 HB3 0.11 0.34 0.08 -0.04 1.79 2.28 3h1dA1 LYS 4322 HG2 0.11 0.10 0.09 -0.04 1.46 1.72 3h1dA1 LYS 4322 HG3 0.08 -0.09 0.01 -0.04 1.46 1.42 3h1dA1 LYS 4322 HD2 0.05 -0.09 -0.06 -0.04 1.69 1.55 3h1dA1 LYS 4322 HD3 0.07 0.04 -0.15 -0.04 1.68 1.60 3h1dA1 LYS 4322 HE2 0.08 -0.02 0.06 -0.04 2.99 3.06 3h1dA1 LYS 4322 HE3 0.05 0.00 0.04 -0.04 2.99 3.05 3h1dA1 PHE 4323 H 0.28 0.11 0.25 -0.55 8.34 8.43 3h1dA1 PHE 4323 HA 0.04 0.27 0.60 -0.75 4.62 4.77 3h1dA1 PHE 4323 HB2 0.05 -0.03 0.15 -0.04 3.15 3.27 3h1dA1 PHE 4323 HB3 0.07 0.05 0.17 -0.04 3.06 3.31 3h1dA1 PHE 4323 HD2 0.13 0.14 -0.06 -0.04 7.28 7.45 3h1dA1 PHE 4323 HE2 -0.02 -0.04 -0.16 -0.04 7.38 7.11 3h1dA1 PHE 4323 HZ 0.05 -0.05 -0.14 -0.04 7.32 7.14 3h1dA1 GLN 4324 H -0.17 0.63 0.44 -0.55 8.47 8.81 3h1dA1 GLN 4324 HA -0.36 0.19 1.00 -0.75 4.36 4.44 3h1dA1 GLN 4324 HB2 0.19 -0.11 -0.12 -0.04 2.15 2.07 3h1dA1 GLN 4324 HB3 0.05 0.06 -0.18 -0.04 2.02 1.91 3h1dA1 GLN 4324 HG2 0.07 0.38 -0.02 -0.04 2.40 2.78 3h1dA1 GLN 4324 HG3 0.07 -0.21 -0.02 -0.04 2.39 2.19 3h1dA1 GLN 4324 HE21 0.03 -0.15 -0.04 -0.04 6.97 6.77 3h1dA1 GLN 4324 HE22 0.11 0.54 0.01 -0.04 7.69 8.31 3h1dA1 ILE 4325 H -0.31 0.64 0.34 -0.55 8.25 8.38 3h1dA1 ILE 4325 HA -0.09 0.28 1.11 -0.75 4.18 4.73 3h1dA1 ILE 4325 HB -0.03 -0.07 0.09 -0.04 1.89 1.84 3h1dA1 ILE 4325 HG12 -0.63 0.04 -0.14 -0.04 1.49 0.73 3h1dA1 ILE 4325 HG13 -0.93 0.01 -0.20 -0.04 1.21 0.06 3h1dA1 ILE 4325 HG23 -0.06 -0.01 -0.16 -0.04 0.93 0.65 3h1dA1 ILE 4325 HD13 -0.77 -0.01 -0.11 -0.04 0.88 -0.05 3h1dA1 HIS 4326 H 0.21 0.83 0.41 -0.55 8.41 9.32 3h1dA1 HIS 4326 HA 0.09 0.22 1.00 -0.75 4.63 5.19 3h1dA1 HIS 4326 HB2 0.01 -0.03 0.03 -0.04 3.26 3.22 3h1dA1 HIS 4326 HB3 -0.02 0.06 -0.03 -0.04 3.20 3.18 3h1dA1 HIS 4326 HD2 -0.02 -0.02 -0.59 -0.04 6.97 6.29 3h1dA1 HIS 4326 HE1 -0.47 -0.02 -0.09 -0.04 7.75 7.13 3h1dA1 ARG 4327 H -0.17 0.45 0.18 -0.55 8.46 8.37 3h1dA1 ARG 4327 HA -0.24 0.23 0.71 -0.75 4.34 4.29 3h1dA1 ARG 4327 HB2 -1.68 -0.01 -0.05 -0.04 1.90 0.13 3h1dA1 ARG 4327 HB3 -0.43 -0.03 0.11 -0.04 1.80 1.41 3h1dA1 ARG 4327 HG2 -0.25 -0.09 -0.33 -0.04 1.67 0.96 3h1dA1 ARG 4327 HG3 -0.37 0.05 -0.07 -0.04 1.67 1.24 3h1dA1 ARG 4327 HD2 -0.66 -0.06 0.06 -0.04 3.22 2.51 3h1dA1 ARG 4327 HD3 -0.34 0.09 0.07 -0.04 3.22 3.00 3h1dA1 ASP 4328 H -0.02 0.50 -0.11 -0.55 8.40 8.23 3h1dA1 ASP 4328 HA -0.01 0.10 0.65 -0.75 4.63 4.62 3h1dA1 ASP 4328 HB2 0.03 -0.01 -0.30 -0.04 2.71 2.39 3h1dA1 ASP 4328 HB3 -0.02 -0.00 -0.22 -0.04 2.70 2.42 3h1dA1 ASP 4329 H -0.03 0.18 0.03 -0.55 8.40 8.04 3h1dA1 ASP 4329 HA -0.04 0.16 0.58 -0.75 4.63 4.57 3h1dA1 ASP 4329 HB2 -0.03 -0.01 0.06 -0.04 2.71 2.69 3h1dA1 ASP 4329 HB3 -0.03 0.00 0.13 -0.04 2.70 2.77 3h1dA1 ARG 4330 H -0.01 -0.02 -0.41 -0.55 8.46 7.48 3h1dA1 ARG 4330 HA 0.01 0.12 0.56 -0.75 4.34 4.27 3h1dA1 ARG 4330 HB2 0.02 0.07 -0.01 -0.04 1.90 1.93 3h1dA1 ARG 4330 HB3 0.02 -0.11 0.15 -0.04 1.80 1.82 3h1dA1 ARG 4330 HG2 0.01 0.03 -0.01 -0.04 1.67 1.66 3h1dA1 ARG 4330 HG3 0.01 -0.10 -0.06 -0.04 1.67 1.48 3h1dA1 ARG 4330 HD2 0.03 0.01 -0.01 -0.04 3.22 3.21 3h1dA1 ARG 4330 HD3 0.02 0.01 -0.03 -0.04 3.22 3.19 3h1dA1 SER 4331 H 0.02 0.08 0.11 -0.55 8.46 8.12 3h1dA1 SER 4331 HA 0.03 0.09 0.28 -0.75 4.49 4.14 3h1dA1 SER 4331 HB2 0.03 0.08 0.13 -0.04 3.95 4.15 3h1dA1 SER 4331 HB3 0.04 0.02 0.12 -0.04 3.93 4.07 3h1dA1 THR 4332 H 0.05 0.16 0.13 -0.55 8.28 8.07 3h1dA1 THR 4332 HA 0.03 0.17 0.50 -0.75 4.39 4.33 3h1dA1 THR 4332 HB 0.25 -0.06 0.06 -0.04 4.32 4.53 3h1dA1 THR 4332 HG23 0.04 0.01 -0.09 -0.04 1.22 1.14 3h1dA1 ASP 4333 H 0.09 -0.10 -0.64 -0.55 8.40 7.20 3h1dA1 ASP 4333 HA 0.11 0.13 0.61 -0.75 4.63 4.72 3h1dA1 ASP 4333 HB2 0.06 -0.04 -0.05 -0.04 2.71 2.64 3h1dA1 ASP 4333 HB3 0.06 0.04 -0.00 -0.04 2.70 2.75 3h1dA1 ARG 4334 H 0.11 0.24 -0.25 -0.55 8.46 8.01 3h1dA1 ARG 4334 HA 0.09 0.01 0.44 -0.75 4.34 4.12 3h1dA1 ARG 4334 HB2 0.08 0.07 -0.06 -0.04 1.90 1.95 3h1dA1 ARG 4334 HB3 0.08 0.07 0.05 -0.04 1.80 1.96 3h1dA1 ARG 4334 HG2 0.06 -0.05 -0.03 -0.04 1.67 1.61 3h1dA1 ARG 4334 HG3 0.06 0.05 0.04 -0.04 1.67 1.78 3h1dA1 ARG 4334 HD2 0.04 0.00 -0.05 -0.04 3.22 3.17 3h1dA1 ARG 4334 HD3 0.05 0.05 -0.01 -0.04 3.22 3.26 3h1dA1 LEU 4335 H 0.09 0.04 0.13 -0.55 8.37 8.08 3h1dA1 LEU 4335 HA 0.17 0.09 0.69 -0.75 4.35 4.54 3h1dA1 LEU 4335 HB2 0.08 -0.01 0.07 -0.04 1.64 1.73 3h1dA1 LEU 4335 HB3 0.04 0.11 0.14 -0.04 1.64 1.90 3h1dA1 LEU 4335 HG 0.03 -0.07 0.05 -0.04 1.64 1.60 3h1dA1 LEU 4335 HD13 -0.02 -0.01 -0.04 -0.04 0.93 0.82 3h1dA1 LEU 4335 HD23 -0.07 0.03 0.05 -0.04 0.89 0.87 3h1dA1 PRO 4336 HA 0.18 0.13 0.64 -0.51 4.44 4.89 3h1dA1 PRO 4336 HB2 0.37 0.02 -0.08 -0.04 2.28 2.55 3h1dA1 PRO 4336 HB3 0.28 0.02 0.13 -0.04 2.02 2.41 3h1dA1 PRO 4336 HG2 0.22 0.00 -0.00 -0.04 2.03 2.21 3h1dA1 PRO 4336 HG3 0.40 -0.01 0.05 -0.04 2.03 2.42 3h1dA1 PRO 4336 HD2 0.09 0.14 0.11 -0.04 3.68 3.98 3h1dA1 PRO 4336 HD3 0.21 0.05 0.07 -0.04 3.65 3.94 3h1dA1 SER 4337 H 0.11 0.44 0.37 -0.55 8.46 8.83 3h1dA1 SER 4337 HA 0.21 0.22 0.86 -0.75 4.49 5.03 3h1dA1 SER 4337 HB2 -0.10 -0.02 0.09 -0.04 3.95 3.88 3h1dA1 SER 4337 HB3 0.05 0.06 -0.04 -0.04 3.93 3.96 3h1dA1 ALA 4338 H -0.30 0.20 0.21 -0.55 8.40 7.96 3h1dA1 ALA 4338 HA -0.34 0.27 1.16 -0.75 4.34 4.68 3h1dA1 ALA 4338 HB3 -0.93 0.01 -0.02 -0.04 1.41 0.43 3h1dA1 HIS 4339 H -0.15 0.65 0.22 -0.55 8.41 8.59 3h1dA1 HIS 4339 HA -0.07 0.13 0.82 -0.75 4.63 4.76 3h1dA1 HIS 4339 HB2 0.04 0.02 0.18 -0.04 3.26 3.46 3h1dA1 HIS 4339 HB3 0.12 -0.07 0.11 -0.04 3.20 3.32 3h1dA1 HIS 4339 HD2 0.13 -0.00 0.05 -0.04 6.97 7.10 3h1dA1 HIS 4339 HE1 -0.03 -0.02 -0.13 -0.04 7.75 7.53 3h1dA1 THR 4340 H -0.13 0.22 -0.01 -0.55 8.28 7.81 3h1dA1 THR 4340 HA -0.13 0.40 0.23 -0.75 4.39 4.14 3h1dA1 THR 4340 HB -0.13 0.12 -0.47 -0.04 4.32 3.80 3h1dA1 THR 4340 HG23 -0.18 0.00 -0.21 -0.04 1.22 0.79 3h1dA1 CYS 4341 H -0.41 0.01 -0.24 -0.55 8.50 7.30 3h1dA1 CYS 4341 HA -0.44 0.14 0.51 -0.75 4.58 4.04 3h1dA1 CYS 4341 HB2 -1.11 -0.03 0.10 -0.04 2.97 1.88 3h1dA1 CYS 4341 HB3 -1.84 -0.00 -0.02 -0.04 2.97 1.07 3h1dA1 PHE 4342 H -0.21 0.39 -0.23 -0.55 8.34 7.74 3h1dA1 PHE 4342 HA -0.07 0.17 0.87 -0.75 4.62 4.83 3h1dA1 PHE 4342 HB2 -0.11 0.01 0.02 -0.04 3.15 3.04 3h1dA1 PHE 4342 HB3 -0.07 0.01 0.10 -0.04 3.06 3.05 3h1dA1 PHE 4342 HD2 -0.14 0.05 -0.03 -0.04 7.28 7.12 3h1dA1 PHE 4342 HE2 -0.15 -0.02 -0.05 -0.04 7.38 7.12 3h1dA1 PHE 4342 HZ 0.00 -0.02 -0.05 -0.04 7.32 7.21 3h1dA1 ASN 4343 H -0.05 0.30 -0.15 -0.55 8.53 8.08 3h1dA1 ASN 4343 HA 0.03 0.31 0.36 -0.75 4.76 4.70 3h1dA1 ASN 4343 HB2 0.12 0.22 -0.31 -0.04 2.88 2.88 3h1dA1 ASN 4343 HB3 0.19 -0.17 0.09 -0.04 2.79 2.86 3h1dA1 ASN 4343 HD21 0.03 0.22 -0.19 -0.04 7.03 7.04 3h1dA1 ASN 4343 HD22 0.08 0.41 -0.30 -0.04 7.74 7.89 3h1dA1 GLN 4344 H 0.04 0.23 -0.12 -0.55 8.47 8.07 3h1dA1 GLN 4344 HA 0.02 0.35 0.91 -0.75 4.36 4.89 3h1dA1 GLN 4344 HB2 0.01 0.12 -0.15 -0.04 2.15 2.09 3h1dA1 GLN 4344 HB3 0.09 -0.11 0.08 -0.04 2.02 2.04 3h1dA1 GLN 4344 HG2 -0.09 -0.09 -0.45 -0.04 2.40 1.73 3h1dA1 GLN 4344 HG3 -0.30 0.07 -0.15 -0.04 2.39 1.97 3h1dA1 GLN 4344 HE21 -0.48 -0.03 -0.10 -0.04 6.97 6.31 3h1dA1 GLN 4344 HE22 -0.55 -0.01 -0.18 -0.04 7.69 6.91 3h1dA1 LEU 4345 H -0.03 0.77 0.44 -0.55 8.37 9.00 3h1dA1 LEU 4345 HA -0.01 0.24 1.06 -0.75 4.35 4.89 3h1dA1 LEU 4345 HB2 0.33 0.02 -0.03 -0.04 1.64 1.92 3h1dA1 LEU 4345 HB3 0.00 -0.05 0.13 -0.04 1.64 1.68 3h1dA1 LEU 4345 HG 0.12 -0.05 -0.47 -0.04 1.64 1.20 3h1dA1 LEU 4345 HD13 0.34 0.06 -0.08 -0.04 0.93 1.21 3h1dA1 LEU 4345 HD23 0.16 -0.02 -0.11 -0.04 0.89 0.87 3h1dA1 ASP 4346 H -0.00 0.86 0.31 -0.55 8.40 9.02 3h1dA1 ASP 4346 HA 0.08 0.16 0.86 -0.75 4.63 4.98 3h1dA1 ASP 4346 HB2 -0.00 -0.02 0.13 -0.04 2.71 2.78 3h1dA1 ASP 4346 HB3 0.04 -0.05 -0.08 -0.04 2.70 2.57 3h1dA1 LEU 4347 H 0.14 0.77 0.24 -0.55 8.37 8.97 3h1dA1 LEU 4347 HA 0.12 0.19 0.87 -0.75 4.35 4.78 3h1dA1 LEU 4347 HB2 0.09 -0.01 -0.16 -0.04 1.64 1.52 3h1dA1 LEU 4347 HB3 0.27 -0.01 0.07 -0.04 1.64 1.93 3h1dA1 LEU 4347 HG 0.10 0.15 -0.16 -0.04 1.64 1.69 3h1dA1 LEU 4347 HD13 0.28 -0.00 -0.00 -0.04 0.93 1.17 3h1dA1 LEU 4347 HD23 -0.14 -0.02 -0.14 -0.04 0.89 0.55 3h1dA1 PRO 4348 HA -0.11 0.30 0.59 -0.51 4.44 4.70 3h1dA1 PRO 4348 HB2 -1.09 -0.06 -0.09 -0.04 2.28 1.00 3h1dA1 PRO 4348 HB3 -0.21 0.10 -0.07 -0.04 2.02 1.81 3h1dA1 PRO 4348 HG2 0.01 0.24 -0.27 -0.04 2.03 1.96 3h1dA1 PRO 4348 HG3 -0.03 -0.01 -0.14 -0.04 2.03 1.81 3h1dA1 PRO 4348 HD2 -0.05 0.07 0.12 -0.04 3.68 3.78 3h1dA1 PRO 4348 HD3 0.05 0.23 0.08 -0.04 3.65 3.97 3h1dA1 ALA 4349 H -0.08 0.27 0.12 -0.55 8.40 8.16 3h1dA1 ALA 4349 HA 0.14 0.06 0.57 -0.75 4.34 4.35 3h1dA1 ALA 4349 HB3 0.05 -0.00 0.15 -0.04 1.41 1.57 3h1dA1 TYR 4350 H -0.02 0.42 0.02 -0.55 8.29 8.16 3h1dA1 TYR 4350 HA 0.14 0.07 0.28 -0.75 4.56 4.29 3h1dA1 TYR 4350 HB2 0.24 -0.02 0.03 -0.04 3.06 3.27 3h1dA1 TYR 4350 HB3 0.11 -0.18 0.04 -0.04 2.98 2.92 3h1dA1 TYR 4350 HD2 0.12 -0.05 0.02 -0.04 7.15 7.20 3h1dA1 TYR 4350 HE2 0.09 0.15 -0.02 -0.04 6.85 7.02 3h1dA1 GLU 4351 H 0.28 0.10 0.17 -0.55 8.60 8.61 3h1dA1 GLU 4351 HA 0.30 0.20 0.38 -0.75 4.29 4.42 3h1dA1 GLU 4351 HB2 0.12 -0.03 0.09 -0.04 2.09 2.23 3h1dA1 GLU 4351 HB3 0.14 0.01 0.10 -0.04 1.99 2.20 3h1dA1 GLU 4351 HG2 0.11 0.00 0.03 -0.04 2.34 2.44 3h1dA1 GLU 4351 HG3 0.15 0.11 -0.02 -0.04 2.34 2.54 3h1dA1 SER 4352 H 0.06 0.13 -0.01 -0.55 8.46 8.09 3h1dA1 SER 4352 HA -0.45 0.24 0.70 -0.75 4.49 4.22 3h1dA1 SER 4352 HB2 -0.20 0.03 0.12 -0.04 3.95 3.86 3h1dA1 SER 4352 HB3 -0.06 0.15 -0.22 -0.04 3.93 3.77 3h1dA1 PHE 4353 H -1.24 0.24 0.12 -0.55 8.34 6.91 3h1dA1 PHE 4353 HA -1.26 0.11 0.45 -0.75 4.62 3.16 3h1dA1 PHE 4353 HB2 -1.58 0.06 0.11 -0.04 3.15 1.70 3h1dA1 PHE 4353 HB3 -0.62 -0.01 0.13 -0.04 3.06 2.51 3h1dA1 PHE 4353 HD2 -0.20 -0.05 -0.05 -0.04 7.28 6.94 3h1dA1 PHE 4353 HE2 -0.07 0.07 -0.05 -0.04 7.38 7.29 3h1dA1 PHE 4353 HZ -0.09 0.11 -0.19 -0.04 7.32 7.10 3h1dA1 GLU 4354 H -0.26 0.10 -0.12 -0.55 8.60 7.78 3h1dA1 GLU 4354 HA -0.37 0.13 0.29 -0.75 4.29 3.58 3h1dA1 GLU 4354 HB2 -0.13 -0.04 0.05 -0.04 2.09 1.93 3h1dA1 GLU 4354 HB3 -0.12 0.08 -0.01 -0.04 1.99 1.89 3h1dA1 GLU 4354 HG2 0.02 -0.06 0.04 -0.04 2.34 2.29 3h1dA1 GLU 4354 HG3 -0.03 0.06 0.01 -0.04 2.34 2.34 3h1dA1 LYS 4355 H -0.25 0.01 -0.33 -0.55 8.42 7.30 3h1dA1 LYS 4355 HA -0.14 0.11 0.45 -0.75 4.32 3.99 3h1dA1 LYS 4355 HB2 -0.10 -0.03 0.08 -0.04 1.87 1.78 3h1dA1 LYS 4355 HB3 -0.11 -0.07 0.09 -0.04 1.79 1.66 3h1dA1 LYS 4355 HG2 -0.27 0.06 -0.07 -0.04 1.46 1.15 3h1dA1 LYS 4355 HG3 -0.07 0.04 0.03 -0.04 1.46 1.42 3h1dA1 LYS 4355 HD2 0.03 -0.04 0.02 -0.04 1.69 1.66 3h1dA1 LYS 4355 HD3 0.11 -0.16 0.05 -0.04 1.68 1.63 3h1dA1 LYS 4355 HE2 0.06 0.17 0.02 -0.04 2.99 3.20 3h1dA1 LYS 4355 HE3 0.04 -0.02 -0.00 -0.04 2.99 2.97 3h1dA1 LEU 4356 H -0.28 0.48 -0.09 -0.55 8.37 7.93 3h1dA1 LEU 4356 HA -0.41 0.05 0.39 -0.75 4.35 3.62 3h1dA1 LEU 4356 HB2 0.24 -0.03 0.07 -0.04 1.64 1.87 3h1dA1 LEU 4356 HB3 -0.16 0.06 0.11 -0.04 1.64 1.62 3h1dA1 LEU 4356 HG 0.32 0.00 0.03 -0.04 1.64 1.94 3h1dA1 LEU 4356 HD13 0.46 -0.01 -0.00 -0.04 0.93 1.33 3h1dA1 LEU 4356 HD23 0.08 0.00 -0.36 -0.04 0.89 0.57 3h1dA1 ARG 4357 H -0.55 0.59 -0.15 -0.55 8.46 7.81 3h1dA1 ARG 4357 HA -0.17 0.02 0.31 -0.75 4.34 3.74 3h1dA1 ARG 4357 HB2 -0.96 0.00 0.08 -0.04 1.90 0.98 3h1dA1 ARG 4357 HB3 -0.40 0.04 0.12 -0.04 1.80 1.51 3h1dA1 ARG 4357 HG2 0.10 -0.02 -0.16 -0.04 1.67 1.54 3h1dA1 ARG 4357 HG3 -0.09 0.00 0.01 -0.04 1.67 1.56 3h1dA1 ARG 4357 HD2 -0.06 -0.04 -0.04 -0.04 3.22 3.04 3h1dA1 ARG 4357 HD3 -0.01 -0.01 -0.06 -0.04 3.22 3.10 3h1dA1 HIS 4358 H -0.12 0.57 -0.07 -0.55 8.41 8.25 3h1dA1 HIS 4358 HA -0.10 -0.00 0.47 -0.75 4.63 4.25 3h1dA1 HIS 4358 HB2 -0.13 -0.01 0.13 -0.04 3.26 3.22 3h1dA1 HIS 4358 HB3 -0.17 0.05 0.19 -0.04 3.20 3.22 3h1dA1 HIS 4358 HD2 -0.07 -0.01 0.03 -0.04 6.97 6.87 3h1dA1 HIS 4358 HE1 -0.05 0.00 -0.05 -0.04 7.75 7.61 3h1dA1 MET 4359 H -0.24 0.73 -0.08 -0.55 8.47 8.34 3h1dA1 MET 4359 HA -0.31 -0.00 0.44 -0.75 4.52 3.89 3h1dA1 MET 4359 HB2 -0.57 0.03 0.17 -0.04 2.15 1.75 3h1dA1 MET 4359 HB3 -0.19 -0.01 0.09 -0.04 2.03 1.87 3h1dA1 MET 4359 HG2 -0.41 0.19 0.07 -0.04 2.63 2.44 3h1dA1 MET 4359 HG3 -0.74 0.02 -0.03 -0.04 2.56 1.77 3h1dA1 MET 4359 HE3 0.03 0.02 -0.18 -0.04 2.10 1.93 3h1dA1 LEU 4360 H -0.08 0.67 -0.02 -0.55 8.37 8.39 3h1dA1 LEU 4360 HA 0.05 0.03 0.48 -0.75 4.35 4.16 3h1dA1 LEU 4360 HB2 0.16 -0.01 0.11 -0.04 1.64 1.85 3h1dA1 LEU 4360 HB3 0.14 0.09 0.14 -0.04 1.64 1.97 3h1dA1 LEU 4360 HG 0.35 -0.00 -0.23 -0.04 1.64 1.71 3h1dA1 LEU 4360 HD13 0.39 -0.01 -0.01 -0.04 0.93 1.27 3h1dA1 LEU 4360 HD23 0.00 -0.02 -0.07 -0.04 0.89 0.76 3h1dA1 LEU 4361 H -0.04 0.64 -0.07 -0.55 8.37 8.36 3h1dA1 LEU 4361 HA -0.35 -0.01 0.45 -0.75 4.35 3.69 3h1dA1 LEU 4361 HB2 -0.12 0.21 0.19 -0.04 1.64 1.87 3h1dA1 LEU 4361 HB3 -0.19 -0.01 -0.04 -0.04 1.64 1.35 3h1dA1 LEU 4361 HG -0.53 0.02 0.01 -0.04 1.64 1.10 3h1dA1 LEU 4361 HD13 -0.10 -0.01 -0.02 -0.04 0.93 0.76 3h1dA1 LEU 4361 HD23 -0.61 -0.02 0.04 -0.04 0.89 0.25 3h1dA1 LEU 4362 H -0.27 0.52 -0.15 -0.55 8.37 7.93 3h1dA1 LEU 4362 HA -0.17 -0.01 0.44 -0.75 4.35 3.86 3h1dA1 LEU 4362 HB2 -0.25 0.17 0.20 -0.04 1.64 1.72 3h1dA1 LEU 4362 HB3 -0.16 -0.05 -0.03 -0.04 1.64 1.36 3h1dA1 LEU 4362 HG -0.63 0.15 0.07 -0.04 1.64 1.19 3h1dA1 LEU 4362 HD13 -0.24 -0.02 -0.02 -0.04 0.93 0.61 3h1dA1 LEU 4362 HD23 -0.11 -0.02 -0.01 -0.04 0.89 0.70 3h1dA1 ALA 4363 H -0.18 0.57 -0.07 -0.55 8.40 8.17 3h1dA1 ALA 4363 HA -0.19 -0.03 0.38 -0.75 4.34 3.75 3h1dA1 ALA 4363 HB3 -0.27 0.02 0.11 -0.04 1.41 1.22 3h1dA1 ILE 4364 H -0.31 0.39 -0.35 -0.55 8.25 7.44 3h1dA1 ILE 4364 HA -0.58 0.07 0.32 -0.75 4.18 3.24 3h1dA1 ILE 4364 HB -0.22 0.05 0.13 -0.04 1.89 1.80 3h1dA1 ILE 4364 HG12 0.02 -0.02 -0.08 -0.04 1.49 1.37 3h1dA1 ILE 4364 HG13 -0.17 0.11 -0.01 -0.04 1.21 1.09 3h1dA1 ILE 4364 HG23 -0.07 0.02 -0.38 -0.04 0.93 0.45 3h1dA1 ILE 4364 HD13 0.32 -0.02 -0.11 -0.04 0.88 1.03 3h1dA1 GLN 4365 H -0.20 0.60 -0.01 -0.55 8.47 8.31 3h1dA1 GLN 4365 HA -0.10 -0.02 0.33 -0.75 4.36 3.82 3h1dA1 GLN 4365 HB2 -0.13 0.19 0.12 -0.04 2.15 2.29 3h1dA1 GLN 4365 HB3 -0.07 -0.08 0.08 -0.04 2.02 1.90 3h1dA1 GLN 4365 HG2 -0.11 -0.09 0.02 -0.04 2.40 2.19 3h1dA1 GLN 4365 HG3 -0.20 0.02 0.05 -0.04 2.39 2.23 3h1dA1 GLN 4365 HE21 -0.08 -0.01 0.00 -0.04 6.97 6.84 3h1dA1 GLN 4365 HE22 -0.14 -0.10 0.01 -0.04 7.69 7.42 3h1dA1 GLU 4366 H -0.13 0.29 -0.68 -0.55 8.60 7.53 3h1dA1 GLU 4366 HA -0.04 0.04 0.31 -0.75 4.29 3.84 3h1dA1 GLU 4366 HB2 -0.02 -0.10 0.05 -0.04 2.09 1.98 3h1dA1 GLU 4366 HB3 -0.06 0.13 0.05 -0.04 1.99 2.06 3h1dA1 GLU 4366 HG2 -0.04 -0.06 0.08 -0.04 2.34 2.28 3h1dA1 GLU 4366 HG3 -0.11 0.32 -0.06 -0.04 2.34 2.44