============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. PHE 3 1.000 26.605 -1.759 19.254 -99.200 -91.000 PHE 22 1.000 34.593 12.870 28.085 -99.200 -91.000 PHE 28 1.000 46.531 9.947 26.725 -99.200 -91.000 TYR 36 0.840 34.009 0.572 26.725 -99.200 -91.000 PHE 41 1.000 29.737 13.351 30.169 -99.200 -91.000 PHE 65 1.000 43.364 4.756 30.341 -99.200 -91.000 TYR 68 0.840 50.646 5.309 27.519 -99.200 -91.000 PHE 72 1.000 52.070 10.295 27.237 -99.200 -91.000 HIS 80 0.900 41.472 4.826 44.594 -99.200 -91.000 PHE 83 1.000 39.187 -0.826 47.033 -99.200 -91.000 PHE 88 1.000 41.789 13.626 43.205 -99.200 -91.000 TYR 109 0.840 22.631 -8.064 33.811 -99.200 -91.000 PHE 113 1.000 17.624 2.951 40.168 -99.200 -91.000 PHE 126 1.000 35.354 11.056 20.947 -99.200 -91.000 PHE 132 1.000 25.855 -4.186 25.847 -99.200 -91.000 PHE 133 1.000 22.273 -3.655 30.618 -99.200 -91.000 TYR 136 0.840 18.275 7.484 22.908 -99.200 -91.000 HIS 148 0.900 20.231 -7.775 38.879 -99.200 -91.000 PHE 152 1.000 14.568 -2.474 43.882 -99.200 -91.000 PHE 165 1.000 18.820 8.035 40.664 -99.200 -91.000 PHE 169 1.000 17.694 12.310 36.783 -99.200 -91.000 PHE 171 1.000 13.252 10.883 33.846 -99.200 -91.000 TYR 189 0.840 16.054 -9.335 50.610 -99.200 -91.000 PHE 220 1.000 6.946 3.039 46.075 -99.200 -91.000 HIS 225 0.900 9.324 -2.994 56.322 -99.200 -91.000 PHE 227 1.000 13.842 6.385 60.503 -99.200 -91.000 TYR 231 0.840 3.443 2.113 64.089 -99.200 -91.000 TYR 232 0.840 3.903 10.000 56.233 -99.200 -91.000 PHE 242 1.000 10.271 18.385 54.198 -99.200 -91.000 TRP 247 1.040 9.817 33.038 58.447 -99.200 -91.000 TRP6 247 1.020 10.426 32.631 60.683 -99.200 -91.000 PHE 252 1.000 15.118 31.989 64.152 -99.200 -91.000 PHE 258 1.000 18.931 11.244 59.131 -99.200 -91.000 TYR 259 0.840 19.828 15.184 63.875 -99.200 -91.000 HIS 263 0.900 13.241 17.840 66.225 -99.200 -91.000 PHE 265 1.000 9.947 9.979 58.926 -99.200 -91.000 PHE 268 1.000 3.731 11.140 70.034 -99.200 -91.000 TYR 269 0.840 10.539 5.846 67.678 -99.200 -91.000 TRP 274 1.040 16.873 7.685 71.911 -99.200 -91.000 TRP6 274 1.020 17.540 8.996 70.066 -99.200 -91.000 TYR 281 0.840 18.680 4.465 60.883 -99.200 -91.000 HIS 293 0.900 11.197 22.475 75.159 -99.200 -91.000 PHE 312 1.000 2.801 33.465 80.593 -99.200 -91.000 TYR 314 0.840 14.025 33.422 76.722 -99.200 -91.000 HIS 327 0.900 8.994 18.080 66.772 -99.200 -91.000 PHE 328 1.000 8.125 24.357 70.147 -99.200 -91.000 TYR 331 0.840 2.920 19.407 67.002 -99.200 -91.000 PHE 340 1.000 6.575 29.106 67.524 -99.200 -91.000 TYR 343 0.840 4.416 36.272 70.688 -99.200 -91.000 TYR 359 0.840 33.293 44.088 83.914 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3h37A1 GLN 2 HA -0.06 -0.11 0.23 -0.75 4.36 3.67 3h37A1 GLN 2 HB2 -0.04 -0.02 0.06 -0.04 2.15 2.10 3h37A1 GLN 2 HB3 -0.08 -0.03 0.09 -0.04 2.02 1.96 3h37A1 GLN 2 HG2 -0.09 0.18 -0.14 -0.04 2.40 2.32 3h37A1 GLN 2 HG3 -0.03 -0.07 0.03 -0.04 2.39 2.28 3h37A1 GLN 2 HE21 -0.10 -0.07 0.03 -0.04 6.97 6.79 3h37A1 GLN 2 HE22 -0.10 0.35 0.13 -0.04 7.69 8.02 3h37A1 ILE 3 H -0.20 0.06 0.11 -0.55 8.25 7.67 3h37A1 ILE 3 HA -0.36 0.26 0.57 -0.75 4.18 3.90 3h37A1 ILE 3 HB -1.10 -0.04 0.10 -0.04 1.89 0.80 3h37A1 ILE 3 HG12 -0.18 0.08 0.04 -0.04 1.49 1.39 3h37A1 ILE 3 HG13 -0.19 -0.02 0.10 -0.04 1.21 1.06 3h37A1 ILE 3 HG23 -0.97 -0.01 -0.17 -0.04 0.93 -0.26 3h37A1 ILE 3 HD13 -0.04 -0.01 0.02 -0.04 0.88 0.81 3h37A1 PHE 4 H -0.13 0.02 -0.03 -0.55 8.34 7.64 3h37A1 PHE 4 HA -0.15 0.46 0.86 -0.75 4.62 5.03 3h37A1 PHE 4 HB2 -0.08 -0.05 0.02 -0.04 3.15 3.01 3h37A1 PHE 4 HB3 -0.09 0.01 0.05 -0.04 3.06 3.00 3h37A1 PHE 4 HD2 -0.08 0.07 -0.02 -0.04 7.28 7.20 3h37A1 PHE 4 HE2 -0.04 0.01 -0.03 -0.04 7.38 7.28 3h37A1 PHE 4 HZ 0.04 0.02 -0.02 -0.04 7.32 7.31 3h37A1 ARG 5 H 0.03 0.41 0.32 -0.55 8.46 8.67 3h37A1 ARG 5 HA -0.06 0.07 0.57 -0.75 4.34 4.17 3h37A1 ARG 5 HB2 -0.23 0.15 -0.46 -0.04 1.90 1.32 3h37A1 ARG 5 HB3 -0.20 -0.06 -0.07 -0.04 1.80 1.43 3h37A1 ARG 5 HG2 -0.18 -0.09 -0.03 -0.04 1.67 1.33 3h37A1 ARG 5 HG3 -0.19 0.04 0.09 -0.04 1.67 1.57 3h37A1 ARG 5 HD2 -0.72 -0.02 -0.09 -0.04 3.22 2.35 3h37A1 ARG 5 HD3 -0.56 0.01 -0.04 -0.04 3.22 2.58 3h37A1 ASP 6 H -0.06 0.20 0.12 -0.55 8.40 8.11 3h37A1 ASP 6 HA -0.04 0.31 0.87 -0.75 4.63 5.01 3h37A1 ASP 6 HB2 -0.03 0.05 0.02 -0.04 2.71 2.72 3h37A1 ASP 6 HB3 -0.03 0.03 0.23 -0.04 2.70 2.89 3h37A1 VAL 7 H -0.06 0.52 0.26 -0.55 8.24 8.41 3h37A1 VAL 7 HA -0.03 0.12 0.65 -0.75 4.13 4.11 3h37A1 VAL 7 HB -0.04 -0.01 0.14 -0.04 2.12 2.17 3h37A1 VAL 7 HG13 -0.05 0.02 -0.07 -0.04 0.97 0.83 3h37A1 VAL 7 HG23 -0.09 0.05 -0.11 -0.04 0.95 0.77 3h37A1 SER 8 H -0.02 0.15 -0.51 -0.55 8.46 7.54 3h37A1 SER 8 HA -0.03 0.11 0.42 -0.75 4.49 4.24 3h37A1 SER 8 HB2 0.11 0.06 -0.03 -0.04 3.95 4.05 3h37A1 SER 8 HB3 0.05 -0.11 0.13 -0.04 3.93 3.95 3h37A1 LYS 9 H 0.01 0.20 -0.04 -0.55 8.42 8.04 3h37A1 LYS 9 HA 0.04 0.09 0.48 -0.75 4.32 4.17 3h37A1 LYS 9 HB2 0.01 0.01 0.11 -0.04 1.87 1.96 3h37A1 LYS 9 HB3 0.02 0.07 -0.06 -0.04 1.79 1.77 3h37A1 LYS 9 HG2 0.02 -0.04 0.03 -0.04 1.46 1.43 3h37A1 LYS 9 HG3 0.01 0.03 0.03 -0.04 1.46 1.49 3h37A1 LYS 9 HD2 0.02 0.03 0.00 -0.04 1.69 1.70 3h37A1 LYS 9 HD3 0.02 0.00 0.02 -0.04 1.68 1.69 3h37A1 LYS 9 HE2 0.01 0.02 -0.01 -0.04 2.99 2.97 3h37A1 LYS 9 HE3 0.01 -0.02 -0.00 -0.04 2.99 2.94 3h37A1 LEU 10 H 0.01 0.05 -0.51 -0.55 8.37 7.37 3h37A1 LEU 10 HA 0.02 0.08 0.42 -0.75 4.35 4.11 3h37A1 LEU 10 HB2 0.00 -0.09 0.08 -0.04 1.64 1.59 3h37A1 LEU 10 HB3 -0.01 0.20 0.09 -0.04 1.64 1.88 3h37A1 LEU 10 HG -0.02 0.02 -0.08 -0.04 1.64 1.53 3h37A1 LEU 10 HD13 0.00 0.00 0.03 -0.04 0.93 0.92 3h37A1 LEU 10 HD23 -0.00 0.02 -0.03 -0.04 0.89 0.83 3h37A1 LEU 11 H 0.01 0.42 -0.05 -0.55 8.37 8.20 3h37A1 LEU 11 HA 0.08 -0.01 0.45 -0.75 4.35 4.11 3h37A1 LEU 11 HB2 0.05 0.08 0.15 -0.04 1.64 1.88 3h37A1 LEU 11 HB3 0.10 -0.03 -0.04 -0.04 1.64 1.63 3h37A1 LEU 11 HG -0.08 0.13 0.00 -0.04 1.64 1.65 3h37A1 LEU 11 HD13 -0.45 -0.03 -0.12 -0.04 0.93 0.29 3h37A1 LEU 11 HD23 -0.02 -0.01 -0.04 -0.04 0.89 0.77 3h37A1 VAL 12 H 0.09 0.41 -0.15 -0.55 8.24 8.03 3h37A1 VAL 12 HA 0.11 0.07 0.40 -0.75 4.13 3.96 3h37A1 VAL 12 HB 0.09 -0.07 0.04 -0.04 2.12 2.14 3h37A1 VAL 12 HG13 0.07 0.12 0.09 -0.04 0.97 1.21 3h37A1 VAL 12 HG23 0.05 -0.01 -0.07 -0.04 0.95 0.88 3h37A1 GLU 13 H 0.05 0.13 -0.59 -0.55 8.60 7.65 3h37A1 GLU 13 HA 0.04 0.01 0.49 -0.75 4.29 4.07 3h37A1 GLU 13 HB2 0.03 -0.08 0.06 -0.04 2.09 2.05 3h37A1 GLU 13 HB3 0.03 -0.03 0.31 -0.04 1.99 2.26 3h37A1 GLU 13 HG2 0.02 -0.07 -0.02 -0.04 2.34 2.22 3h37A1 GLU 13 HG3 0.02 0.10 -0.37 -0.04 2.34 2.04 3h37A1 ARG 14 H 0.04 0.63 0.12 -0.55 8.46 8.70 3h37A1 ARG 14 HA 0.04 0.10 0.63 -0.75 4.34 4.36 3h37A1 ARG 14 HB2 0.02 0.05 0.15 -0.04 1.90 2.08 3h37A1 ARG 14 HB3 0.03 -0.07 -0.07 -0.04 1.80 1.65 3h37A1 ARG 14 HG2 -0.01 0.00 -0.00 -0.04 1.67 1.62 3h37A1 ARG 14 HG3 0.01 -0.01 -0.03 -0.04 1.67 1.61 3h37A1 ARG 14 HD2 0.01 -0.07 -0.02 -0.04 3.22 3.09 3h37A1 ARG 14 HD3 -0.00 0.04 0.07 -0.04 3.22 3.29 3h37A1 VAL 15 H 0.12 0.26 0.08 -0.55 8.24 8.14 3h37A1 VAL 15 HA 0.19 -0.08 0.20 -0.75 4.13 3.69 3h37A1 VAL 15 HB 0.24 0.14 0.07 -0.04 2.12 2.53 3h37A1 VAL 15 HG13 0.39 -0.01 -0.10 -0.04 0.97 1.21 3h37A1 VAL 15 HG23 0.33 -0.01 0.09 -0.04 0.95 1.32 3h37A1 ASP 16 H 0.13 0.05 0.16 -0.55 8.40 8.19 3h37A1 ASP 16 HA 0.06 0.21 0.47 -0.75 4.63 4.62 3h37A1 ASP 16 HB2 0.07 0.08 0.18 -0.04 2.71 2.99 3h37A1 ASP 16 HB3 0.04 -0.20 0.09 -0.04 2.70 2.58 3h37A1 PRO 17 HA 0.05 0.12 0.30 -0.51 4.44 4.40 3h37A1 PRO 17 HB2 0.02 -0.01 0.06 -0.04 2.28 2.30 3h37A1 PRO 17 HB3 0.02 0.05 0.10 -0.04 2.02 2.16 3h37A1 PRO 17 HG2 0.02 0.03 0.11 -0.04 2.03 2.15 3h37A1 PRO 17 HG3 0.03 0.15 0.13 -0.04 2.03 2.31 3h37A1 PRO 17 HD2 0.03 0.01 0.19 -0.04 3.68 3.87 3h37A1 PRO 17 HD3 0.04 0.25 0.26 -0.04 3.65 4.17 3h37A1 LYS 18 H 0.01 0.14 -0.18 -0.55 8.42 7.83 3h37A1 LYS 18 HA -0.01 0.07 0.34 -0.75 4.32 3.97 3h37A1 LYS 18 HB2 0.00 -0.00 0.08 -0.04 1.87 1.91 3h37A1 LYS 18 HB3 -0.01 0.03 -0.02 -0.04 1.79 1.74 3h37A1 LYS 18 HG2 -0.02 0.02 -0.01 -0.04 1.46 1.41 3h37A1 LYS 18 HG3 -0.00 -0.00 0.02 -0.04 1.46 1.44 3h37A1 LYS 18 HD2 0.00 -0.01 -0.01 -0.04 1.69 1.63 3h37A1 LYS 18 HD3 -0.01 0.03 -0.06 -0.04 1.68 1.61 3h37A1 LYS 18 HE2 0.00 -0.00 -0.06 -0.04 2.99 2.89 3h37A1 LYS 18 HE3 -0.01 0.02 -0.04 -0.04 2.99 2.92 3h37A1 ILE 19 H -0.02 0.18 -0.28 -0.55 8.25 7.58 3h37A1 ILE 19 HA -0.20 0.11 0.55 -0.75 4.18 3.88 3h37A1 ILE 19 HB -0.02 0.05 0.08 -0.04 1.89 1.95 3h37A1 ILE 19 HG12 -0.07 0.06 0.00 -0.04 1.49 1.45 3h37A1 ILE 19 HG13 -0.15 0.03 -0.03 -0.04 1.21 1.02 3h37A1 ILE 19 HG23 -0.57 0.01 -0.12 -0.04 0.93 0.21 3h37A1 ILE 19 HD13 -0.02 -0.04 -0.06 -0.04 0.88 0.72 3h37A1 LEU 20 H 0.06 0.68 -0.12 -0.55 8.37 8.44 3h37A1 LEU 20 HA 0.38 0.00 0.40 -0.75 4.35 4.38 3h37A1 LEU 20 HB2 0.11 0.12 -0.01 -0.04 1.64 1.82 3h37A1 LEU 20 HB3 0.11 -0.02 -0.08 -0.04 1.64 1.61 3h37A1 LEU 20 HG 0.24 0.09 -0.15 -0.04 1.64 1.78 3h37A1 LEU 20 HD13 0.12 -0.00 -0.13 -0.04 0.93 0.87 3h37A1 LEU 20 HD23 0.36 -0.05 -0.13 -0.04 0.89 1.03 3h37A1 ASN 21 H 0.01 0.76 -0.05 -0.55 8.53 8.71 3h37A1 ASN 21 HA -0.02 -0.02 0.38 -0.75 4.76 4.35 3h37A1 ASN 21 HB2 -0.02 0.12 0.06 -0.04 2.88 3.00 3h37A1 ASN 21 HB3 -0.03 -0.03 0.04 -0.04 2.79 2.72 3h37A1 ASN 21 HD21 -0.00 -0.04 -0.03 -0.04 7.03 6.92 3h37A1 ASN 21 HD22 -0.01 -0.01 -0.03 -0.04 7.74 7.65 3h37A1 LEU 22 H -0.09 0.25 -0.80 -0.55 8.37 7.18 3h37A1 LEU 22 HA -0.06 0.01 0.41 -0.75 4.35 3.95 3h37A1 LEU 22 HB2 -0.19 0.12 0.25 -0.04 1.64 1.77 3h37A1 LEU 22 HB3 -0.36 0.02 0.03 -0.04 1.64 1.28 3h37A1 LEU 22 HG -0.06 0.01 0.00 -0.04 1.64 1.55 3h37A1 LEU 22 HD13 -0.14 -0.01 -0.05 -0.04 0.93 0.68 3h37A1 LEU 22 HD23 -0.02 -0.02 -0.01 -0.04 0.89 0.79 3h37A1 PHE 23 H -0.07 0.51 0.02 -0.55 8.34 8.25 3h37A1 PHE 23 HA 0.04 -0.02 0.37 -0.75 4.62 4.25 3h37A1 PHE 23 HB2 0.17 0.12 0.18 -0.04 3.15 3.58 3h37A1 PHE 23 HB3 0.19 -0.03 -0.05 -0.04 3.06 3.13 3h37A1 PHE 23 HD2 0.00 -0.03 -0.09 -0.04 7.28 7.12 3h37A1 PHE 23 HE2 -0.20 -0.03 -0.09 -0.04 7.38 7.02 3h37A1 PHE 23 HZ -1.13 0.03 -0.04 -0.04 7.32 6.14 3h37A1 ARG 24 H 0.15 0.75 -0.09 -0.55 8.46 8.71 3h37A1 ARG 24 HA -0.14 0.02 0.38 -0.75 4.34 3.85 3h37A1 ARG 24 HB2 -0.07 0.07 0.15 -0.04 1.90 2.02 3h37A1 ARG 24 HB3 -0.16 -0.03 -0.04 -0.04 1.80 1.52 3h37A1 ARG 24 HG2 -0.40 -0.04 -0.00 -0.04 1.67 1.19 3h37A1 ARG 24 HG3 -0.39 -0.01 -0.03 -0.04 1.67 1.21 3h37A1 ARG 24 HD2 -0.03 0.01 -0.29 -0.04 3.22 2.87 3h37A1 ARG 24 HD3 -0.10 -0.01 -0.04 -0.04 3.22 3.02 3h37A1 LEU 25 H -0.11 0.67 -0.20 -0.55 8.37 8.18 3h37A1 LEU 25 HA -0.45 -0.05 0.30 -0.75 4.35 3.40 3h37A1 LEU 25 HB2 -0.18 0.13 0.18 -0.04 1.64 1.74 3h37A1 LEU 25 HB3 -0.59 -0.04 -0.03 -0.04 1.64 0.94 3h37A1 LEU 25 HG -0.11 0.16 0.09 -0.04 1.64 1.74 3h37A1 LEU 25 HD13 0.03 -0.01 -0.04 -0.04 0.93 0.87 3h37A1 LEU 25 HD23 -0.17 -0.03 -0.02 -0.04 0.89 0.63 3h37A1 LEU 26 H -0.09 0.70 -0.19 -0.55 8.37 8.24 3h37A1 LEU 26 HA 0.12 -0.02 0.27 -0.75 4.35 3.97 3h37A1 LEU 26 HB2 0.17 0.11 0.11 -0.04 1.64 1.99 3h37A1 LEU 26 HB3 0.28 -0.09 -0.11 -0.04 1.64 1.68 3h37A1 LEU 26 HG 0.08 0.23 0.00 -0.04 1.64 1.91 3h37A1 LEU 26 HD13 0.14 -0.03 -0.13 -0.04 0.93 0.87 3h37A1 LEU 26 HD23 0.36 -0.03 -0.09 -0.04 0.89 1.10 3h37A1 GLY 27 H 0.07 0.67 -0.20 -0.55 8.43 8.42 3h37A1 GLY 27 HA2 0.06 -0.13 0.22 -0.51 4.01 3.65 3h37A1 GLY 27 HA3 0.08 0.35 0.06 -0.51 4.01 3.99 3h37A1 LYS 28 H -0.13 0.65 -0.07 -0.55 8.42 8.32 3h37A1 LYS 28 HA -0.02 -0.07 0.43 -0.75 4.32 3.90 3h37A1 LYS 28 HB2 -0.20 0.18 0.15 -0.04 1.87 1.95 3h37A1 LYS 28 HB3 -0.21 0.06 0.06 -0.04 1.79 1.66 3h37A1 LYS 28 HG2 -0.09 -0.02 0.04 -0.04 1.46 1.35 3h37A1 LYS 28 HG3 -0.08 0.00 -0.01 -0.04 1.46 1.33 3h37A1 LYS 28 HD2 0.02 -0.00 -0.07 -0.04 1.69 1.60 3h37A1 LYS 28 HD3 -0.02 -0.07 0.10 -0.04 1.68 1.65 3h37A1 LYS 28 HE2 -0.02 -0.02 -0.01 -0.04 2.99 2.90 3h37A1 LYS 28 HE3 -0.03 0.02 -0.02 -0.04 2.99 2.92 3h37A1 PHE 29 H -0.28 0.75 -0.10 -0.55 8.34 8.15 3h37A1 PHE 29 HA 0.16 -0.02 0.28 -0.75 4.62 4.28 3h37A1 PHE 29 HB2 0.15 0.17 0.02 -0.04 3.15 3.44 3h37A1 PHE 29 HB3 0.17 -0.07 -0.09 -0.04 3.06 3.03 3h37A1 PHE 29 HD2 -0.03 -0.08 -0.08 -0.04 7.28 7.05 3h37A1 PHE 29 HE2 -0.14 -0.03 -0.10 -0.04 7.38 7.07 3h37A1 PHE 29 HZ -0.00 -0.00 -0.11 -0.04 7.32 7.17 3h37A1 GLY 30 H 0.30 0.46 -0.45 -0.55 8.43 8.19 3h37A1 GLY 30 HA2 0.36 -0.01 0.35 -0.51 4.01 4.21 3h37A1 GLY 30 HA3 0.17 0.01 0.27 -0.51 4.01 3.95 3h37A1 ASP 31 H 0.08 0.48 -0.01 -0.55 8.40 8.41 3h37A1 ASP 31 HA 0.02 -0.05 0.45 -0.75 4.63 4.29 3h37A1 ASP 31 HB2 0.03 0.24 0.23 -0.04 2.71 3.16 3h37A1 ASP 31 HB3 0.01 -0.04 0.03 -0.04 2.70 2.66 3h37A1 GLU 32 H 0.09 0.44 -0.24 -0.55 8.60 8.35 3h37A1 GLU 32 HA 0.00 -0.01 0.35 -0.75 4.29 3.88 3h37A1 GLU 32 HB2 0.10 0.15 0.09 -0.04 2.09 2.39 3h37A1 GLU 32 HB3 0.06 -0.06 0.06 -0.04 1.99 2.01 3h37A1 GLU 32 HG2 0.07 -0.06 -0.02 -0.04 2.34 2.28 3h37A1 GLU 32 HG3 0.12 0.23 -0.05 -0.04 2.34 2.60 3h37A1 VAL 33 H -0.03 0.39 -0.38 -0.55 8.24 7.66 3h37A1 VAL 33 HA -0.15 0.20 1.02 -0.75 4.13 4.44 3h37A1 VAL 33 HB -0.10 -0.08 0.14 -0.04 2.12 2.04 3h37A1 VAL 33 HG13 -0.71 0.00 -0.13 -0.04 0.97 0.09 3h37A1 VAL 33 HG23 0.10 0.02 -0.09 -0.04 0.95 0.94 3h37A1 ASN 34 H -0.01 0.39 -0.24 -0.55 8.53 8.13 3h37A1 ASN 34 HA 0.00 0.01 0.25 -0.75 4.76 4.26 3h37A1 ASN 34 HB2 -0.01 -0.01 -0.18 -0.04 2.88 2.64 3h37A1 ASN 34 HB3 -0.01 0.20 -0.07 -0.04 2.79 2.88 3h37A1 ASN 34 HD21 0.00 -0.05 0.03 -0.04 7.03 6.97 3h37A1 ASN 34 HD22 0.00 0.01 0.03 -0.04 7.74 7.74 3h37A1 PRO 36 HA -0.18 -0.12 0.29 -0.51 4.44 3.93 3h37A1 PRO 36 HB2 0.04 -0.17 0.10 -0.04 2.28 2.21 3h37A1 PRO 36 HB3 -0.08 -0.01 0.03 -0.04 2.02 1.92 3h37A1 PRO 36 HG2 0.05 -0.03 0.11 -0.04 2.03 2.12 3h37A1 PRO 36 HG3 0.00 0.01 0.00 -0.04 2.03 2.00 3h37A1 PRO 36 HD2 0.01 0.24 0.66 -0.04 3.68 4.55 3h37A1 PRO 36 HD3 -0.00 0.10 -1.39 -0.04 3.65 2.32 3h37A1 VAL 37 H -0.40 0.06 0.18 -0.55 8.24 7.54 3h37A1 VAL 37 HA -0.28 0.34 1.17 -0.75 4.13 4.60 3h37A1 VAL 37 HB -0.11 -0.13 0.06 -0.04 2.12 1.89 3h37A1 VAL 37 HG13 -0.12 0.03 -0.23 -0.04 0.97 0.60 3h37A1 VAL 37 HG23 -0.16 0.04 -0.18 -0.04 0.95 0.60 3h37A1 TYR 38 H 0.04 0.76 0.34 -0.55 8.29 8.89 3h37A1 TYR 38 HA -0.06 0.24 1.18 -0.75 4.56 5.17 3h37A1 TYR 38 HB2 -0.02 -0.08 -0.12 -0.04 3.06 2.81 3h37A1 TYR 38 HB3 -0.04 0.11 -0.20 -0.04 2.98 2.81 3h37A1 TYR 38 HD2 -0.03 0.11 -0.24 -0.04 7.15 6.95 3h37A1 TYR 38 HE2 0.00 0.01 -0.16 -0.04 6.85 6.67 3h37A1 VAL 39 H -0.02 0.56 0.31 -0.55 8.24 8.54 3h37A1 VAL 39 HA 0.05 0.26 1.02 -0.75 4.13 4.72 3h37A1 VAL 39 HB -0.04 0.00 0.05 -0.04 2.12 2.09 3h37A1 VAL 39 HG13 -0.29 0.02 0.06 -0.04 0.97 0.71 3h37A1 VAL 39 HG23 -0.05 0.01 -0.04 -0.04 0.95 0.83 3h37A1 VAL 40 H 0.07 0.57 0.30 -0.55 8.24 8.64 3h37A1 VAL 40 HA 0.05 0.17 0.99 -0.75 4.13 4.59 3h37A1 VAL 40 HB 0.03 0.00 -0.01 -0.04 2.12 2.10 3h37A1 VAL 40 HG13 0.02 -0.00 -0.41 -0.04 0.97 0.53 3h37A1 VAL 40 HG23 0.05 0.01 -0.21 -0.04 0.95 0.76 3h37A1 GLY 41 H 0.05 0.22 0.15 -0.55 8.43 8.30 3h37A1 GLY 41 HA2 0.04 0.44 0.43 -0.51 4.01 4.42 3h37A1 GLY 41 HA3 0.06 0.04 0.64 -0.51 4.01 4.25 3h37A1 GLY 42 H 0.08 0.19 0.22 -0.55 8.43 8.37 3h37A1 GLY 42 HA2 0.03 0.08 0.26 -0.51 4.01 3.86 3h37A1 GLY 42 HA3 0.09 0.08 0.33 -0.51 4.01 4.00 3h37A1 PHE 43 H 0.23 0.15 -0.29 -0.55 8.34 7.88 3h37A1 PHE 43 HA 0.05 0.12 0.52 -0.75 4.62 4.55 3h37A1 PHE 43 HB2 0.08 0.15 0.06 -0.04 3.15 3.41 3h37A1 PHE 43 HB3 0.05 -0.05 -0.02 -0.04 3.06 3.00 3h37A1 PHE 43 HD2 0.03 0.06 -0.12 -0.04 7.28 7.21 3h37A1 PHE 43 HE2 -0.02 0.01 -0.03 -0.04 7.38 7.30 3h37A1 PHE 43 HZ 0.19 -0.03 -0.03 -0.04 7.32 7.40 3h37A1 VAL 44 H 0.14 0.21 -0.27 -0.55 8.24 7.77 3h37A1 VAL 44 HA -0.07 0.03 0.29 -0.75 4.13 3.63 3h37A1 VAL 44 HB 0.01 0.07 0.04 -0.04 2.12 2.19 3h37A1 VAL 44 HG13 -0.02 0.03 -0.16 -0.04 0.97 0.78 3h37A1 VAL 44 HG23 0.08 -0.01 -0.07 -0.04 0.95 0.92 3h37A1 ARG 45 H -0.04 0.29 -0.17 -0.55 8.46 7.99 3h37A1 ARG 45 HA -0.11 0.03 0.43 -0.75 4.34 3.94 3h37A1 ARG 45 HB2 -0.09 0.16 0.14 -0.04 1.90 2.07 3h37A1 ARG 45 HB3 -0.09 0.04 0.09 -0.04 1.80 1.80 3h37A1 ARG 45 HG2 -0.32 -0.01 -0.17 -0.04 1.67 1.14 3h37A1 ARG 45 HG3 -0.23 0.03 0.03 -0.04 1.67 1.45 3h37A1 ARG 45 HD2 -0.60 -0.05 -0.12 -0.04 3.22 2.42 3h37A1 ARG 45 HD3 -0.19 -0.09 -0.13 -0.04 3.22 2.76 3h37A1 ASP 46 H -0.12 0.54 -0.18 -0.55 8.40 8.09 3h37A1 ASP 46 HA -0.10 0.02 0.41 -0.75 4.63 4.21 3h37A1 ASP 46 HB2 -0.09 0.02 0.17 -0.04 2.71 2.76 3h37A1 ASP 46 HB3 -0.06 0.38 -0.01 -0.04 2.70 2.97 3h37A1 LEU 47 H -0.42 0.71 -0.05 -0.55 8.37 8.07 3h37A1 LEU 47 HA -0.24 0.02 0.41 -0.75 4.35 3.80 3h37A1 LEU 47 HB2 -0.75 -0.04 0.05 -0.04 1.64 0.86 3h37A1 LEU 47 HB3 -0.45 0.10 0.12 -0.04 1.64 1.37 3h37A1 LEU 47 HG -0.12 0.05 -0.53 -0.04 1.64 0.99 3h37A1 LEU 47 HD13 -0.06 -0.02 -0.09 -0.04 0.93 0.72 3h37A1 LEU 47 HD23 -0.08 -0.02 -0.11 -0.04 0.89 0.64 3h37A1 LEU 48 H -0.15 0.51 -0.21 -0.55 8.37 7.98 3h37A1 LEU 48 HA -0.05 -0.00 0.52 -0.75 4.35 4.06 3h37A1 LEU 48 HB2 -0.09 0.17 0.12 -0.04 1.64 1.79 3h37A1 LEU 48 HB3 -0.09 -0.05 0.01 -0.04 1.64 1.47 3h37A1 LEU 48 HG -0.04 0.14 0.03 -0.04 1.64 1.73 3h37A1 LEU 48 HD13 0.08 -0.03 -0.10 -0.04 0.93 0.84 3h37A1 LEU 48 HD23 0.09 -0.03 -0.02 -0.04 0.89 0.89 3h37A1 LEU 49 H -0.11 0.25 -0.42 -0.55 8.37 7.55 3h37A1 LEU 49 HA -0.05 0.14 0.61 -0.75 4.35 4.30 3h37A1 LEU 49 HB2 -0.07 -0.03 0.10 -0.04 1.64 1.60 3h37A1 LEU 49 HB3 -0.02 -0.02 0.12 -0.04 1.64 1.68 3h37A1 LEU 49 HG -0.16 0.24 0.03 -0.04 1.64 1.71 3h37A1 LEU 49 HD13 -0.36 -0.04 -0.07 -0.04 0.93 0.42 3h37A1 LEU 49 HD23 -0.02 -0.00 -0.05 -0.04 0.89 0.77 3h37A1 GLY 50 H -0.06 0.28 -0.36 -0.55 8.43 7.75 3h37A1 GLY 50 HA2 -0.03 -0.01 0.26 -0.51 4.01 3.73 3h37A1 GLY 50 HA3 -0.01 0.07 0.53 -0.51 4.01 4.09 3h37A1 ILE 51 H -0.04 0.43 -0.14 -0.55 8.25 7.95 3h37A1 ILE 51 HA 0.01 0.09 0.74 -0.75 4.18 4.27 3h37A1 ILE 51 HB 0.01 -0.04 0.09 -0.04 1.89 1.91 3h37A1 ILE 51 HG12 0.04 0.09 -0.16 -0.04 1.49 1.42 3h37A1 ILE 51 HG13 0.10 -0.02 -0.04 -0.04 1.21 1.21 3h37A1 ILE 51 HG23 0.06 -0.02 -0.21 -0.04 0.93 0.72 3h37A1 ILE 51 HD13 0.03 0.01 -0.02 -0.04 0.88 0.87 3h37A1 LYS 52 H 0.02 0.15 0.14 -0.55 8.42 8.18 3h37A1 LYS 52 HA 0.04 0.01 0.32 -0.75 4.32 3.93 3h37A1 LYS 52 HB2 0.04 0.06 0.12 -0.04 1.87 2.04 3h37A1 LYS 52 HB3 0.04 -0.01 0.11 -0.04 1.79 1.89 3h37A1 LYS 52 HG2 0.06 -0.06 -0.21 -0.04 1.46 1.21 3h37A1 LYS 52 HG3 0.07 -0.04 -0.03 -0.04 1.46 1.42 3h37A1 LYS 52 HD2 0.04 0.04 0.01 -0.04 1.69 1.74 3h37A1 LYS 52 HD3 0.04 0.01 -0.01 -0.04 1.68 1.68 3h37A1 LYS 52 HE2 0.04 -0.02 -0.04 -0.04 2.99 2.94 3h37A1 LYS 52 HE3 0.06 -0.02 -0.04 -0.04 2.99 2.94 3h37A1 ASN 53 H 0.12 0.16 0.07 -0.55 8.53 8.34 3h37A1 ASN 53 HA 0.11 0.03 0.72 -0.75 4.76 4.87 3h37A1 ASN 53 HB2 0.07 0.18 -0.18 -0.04 2.88 2.90 3h37A1 ASN 53 HB3 0.08 0.03 0.09 -0.04 2.79 2.95 3h37A1 ASN 53 HD21 0.17 -0.18 -0.34 -0.04 7.03 6.65 3h37A1 ASN 53 HD22 0.08 0.19 -0.20 -0.04 7.74 7.77 3h37A1 LEU 54 H 0.11 0.17 0.09 -0.55 8.37 8.19 3h37A1 LEU 54 HA 0.11 0.15 0.57 -0.75 4.35 4.42 3h37A1 LEU 54 HB2 0.06 -0.01 0.08 -0.04 1.64 1.74 3h37A1 LEU 54 HB3 0.04 0.03 0.05 -0.04 1.64 1.73 3h37A1 LEU 54 HG 0.07 -0.04 -0.06 -0.04 1.64 1.56 3h37A1 LEU 54 HD13 0.04 0.02 -0.01 -0.04 0.93 0.94 3h37A1 LEU 54 HD23 0.03 0.01 0.03 -0.04 0.89 0.91 3h37A1 ASP 55 H 0.13 -0.01 -0.15 -0.55 8.40 7.82 3h37A1 ASP 55 HA 0.05 0.08 0.57 -0.75 4.63 4.58 3h37A1 ASP 55 HB2 0.15 -0.03 0.05 -0.04 2.71 2.84 3h37A1 ASP 55 HB3 0.10 -0.04 -0.02 -0.04 2.70 2.70 3h37A1 ILE 56 H -0.00 0.25 0.18 -0.55 8.25 8.13 3h37A1 ILE 56 HA -0.04 0.12 0.75 -0.75 4.18 4.25 3h37A1 ILE 56 HB -0.20 0.05 0.03 -0.04 1.89 1.73 3h37A1 ILE 56 HG12 -0.03 -0.08 0.17 -0.04 1.49 1.50 3h37A1 ILE 56 HG13 0.01 -0.00 -0.12 -0.04 1.21 1.06 3h37A1 ILE 56 HG23 -0.11 0.12 0.00 -0.04 0.93 0.91 3h37A1 ILE 56 HD13 -0.23 0.00 -0.06 -0.04 0.88 0.55 3h37A1 ASP 57 H 0.06 0.15 0.01 -0.55 8.40 8.07 3h37A1 ASP 57 HA 0.03 0.13 0.91 -0.75 4.63 4.95 3h37A1 ASP 57 HB2 0.05 -0.04 0.06 -0.04 2.71 2.73 3h37A1 ASP 57 HB3 0.07 0.03 0.20 -0.04 2.70 2.96 3h37A1 ILE 58 H 0.04 0.80 0.38 -0.55 8.25 8.93 3h37A1 ILE 58 HA 0.06 0.23 1.19 -0.75 4.18 4.91 3h37A1 ILE 58 HB 0.07 0.12 0.12 -0.04 1.89 2.16 3h37A1 ILE 58 HG12 0.13 -0.03 -0.15 -0.04 1.49 1.39 3h37A1 ILE 58 HG13 0.08 0.05 -0.20 -0.04 1.21 1.10 3h37A1 ILE 58 HG23 -0.05 -0.02 -0.23 -0.04 0.93 0.59 3h37A1 ILE 58 HD13 0.13 -0.01 -0.47 -0.04 0.88 0.49 3h37A1 VAL 59 H 0.07 0.67 0.36 -0.55 8.24 8.80 3h37A1 VAL 59 HA 0.03 0.14 0.90 -0.75 4.13 4.44 3h37A1 VAL 59 HB 0.11 -0.03 -0.03 -0.04 2.12 2.13 3h37A1 VAL 59 HG13 0.06 -0.00 -0.28 -0.04 0.97 0.70 3h37A1 VAL 59 HG23 0.04 0.00 -0.21 -0.04 0.95 0.74 3h37A1 VAL 60 H 0.01 0.45 0.24 -0.55 8.24 8.39 3h37A1 VAL 60 HA -0.02 0.29 0.98 -0.75 4.13 4.63 3h37A1 VAL 60 HB -0.20 0.14 -0.09 -0.04 2.12 1.93 3h37A1 VAL 60 HG13 -0.71 -0.03 -0.26 -0.04 0.97 -0.07 3h37A1 VAL 60 HG23 -0.08 -0.00 -0.23 -0.04 0.95 0.59 3h37A1 GLU 61 H 0.04 0.58 0.21 -0.55 8.60 8.89 3h37A1 GLU 61 HA 0.06 -0.02 0.90 -0.75 4.29 4.48 3h37A1 GLU 61 HB2 0.06 0.10 0.27 -0.04 2.09 2.48 3h37A1 GLU 61 HB3 0.06 0.04 0.07 -0.04 1.99 2.12 3h37A1 GLU 61 HG2 0.13 -0.03 -0.07 -0.04 2.34 2.33 3h37A1 GLU 61 HG3 0.31 0.01 -0.03 -0.04 2.34 2.58 3h37A1 GLY 62 H 0.04 0.14 -0.01 -0.55 8.43 8.05 3h37A1 GLY 62 HA2 0.03 0.07 0.29 -0.51 4.01 3.89 3h37A1 GLY 62 HA3 0.04 0.21 0.69 -0.51 4.01 4.44 3h37A1 ASN 63 H 0.06 0.24 -0.20 -0.55 8.53 8.09 3h37A1 ASN 63 HA 0.06 0.16 0.78 -0.75 4.76 5.01 3h37A1 ASN 63 HB2 0.05 0.16 -0.34 -0.04 2.88 2.71 3h37A1 ASN 63 HB3 0.07 -0.02 0.09 -0.04 2.79 2.89 3h37A1 ASN 63 HD21 0.04 0.04 -0.01 -0.04 7.03 7.06 3h37A1 ASN 63 HD22 0.04 0.08 -0.02 -0.04 7.74 7.79 3h37A1 ALA 64 H 0.07 0.26 -0.05 -0.55 8.40 8.13 3h37A1 ALA 64 HA 0.13 0.05 0.08 -0.75 4.34 3.84 3h37A1 ALA 64 HB3 0.07 0.09 -0.38 -0.04 1.41 1.15 3h37A1 LEU 65 H 0.08 0.05 -0.49 -0.55 8.37 7.46 3h37A1 LEU 65 HA 0.06 0.15 0.41 -0.75 4.35 4.22 3h37A1 LEU 65 HB2 0.05 -0.08 0.01 -0.04 1.64 1.58 3h37A1 LEU 65 HB3 0.04 0.02 -0.08 -0.04 1.64 1.58 3h37A1 LEU 65 HG 0.07 -0.03 -0.11 -0.04 1.64 1.52 3h37A1 LEU 65 HD13 0.05 0.03 -0.04 -0.04 0.93 0.94 3h37A1 LEU 65 HD23 0.04 0.04 -0.17 -0.04 0.89 0.75 3h37A1 GLU 66 H 0.08 0.07 -0.11 -0.55 8.60 8.09 3h37A1 GLU 66 HA 0.06 0.04 0.37 -0.75 4.29 4.00 3h37A1 GLU 66 HB2 0.08 0.04 0.12 -0.04 2.09 2.30 3h37A1 GLU 66 HB3 0.06 0.06 -0.02 -0.04 1.99 2.04 3h37A1 GLU 66 HG2 0.04 0.02 0.03 -0.04 2.34 2.38 3h37A1 GLU 66 HG3 0.04 -0.06 0.03 -0.04 2.34 2.31 3h37A1 PHE 67 H 0.23 0.60 -0.26 -0.55 8.34 8.36 3h37A1 PHE 67 HA 0.09 0.06 0.29 -0.75 4.62 4.30 3h37A1 PHE 67 HB2 0.06 -0.02 -0.12 -0.04 3.15 3.03 3h37A1 PHE 67 HB3 0.06 0.02 -0.05 -0.04 3.06 3.05 3h37A1 PHE 67 HD2 0.08 0.03 -0.22 -0.04 7.28 7.14 3h37A1 PHE 67 HE2 0.15 0.00 -0.20 -0.04 7.38 7.29 3h37A1 PHE 67 HZ 0.19 0.06 -0.10 -0.04 7.32 7.43 3h37A1 ALA 68 H 0.22 0.63 -0.17 -0.55 8.40 8.53 3h37A1 ALA 68 HA 0.01 -0.03 0.24 -0.75 4.34 3.81 3h37A1 ALA 68 HB3 0.07 0.00 0.01 -0.04 1.41 1.45 3h37A1 GLU 69 H 0.02 0.54 -0.46 -0.55 8.60 8.16 3h37A1 GLU 69 HA -0.05 0.01 0.50 -0.75 4.29 4.00 3h37A1 GLU 69 HB2 0.01 0.11 0.06 -0.04 2.09 2.23 3h37A1 GLU 69 HB3 0.02 0.06 0.13 -0.04 1.99 2.16 3h37A1 GLU 69 HG2 -0.01 -0.03 -0.06 -0.04 2.34 2.21 3h37A1 GLU 69 HG3 -0.05 -0.02 -0.03 -0.04 2.34 2.20 3h37A1 TYR 70 H 0.05 0.63 0.05 -0.55 8.29 8.48 3h37A1 TYR 70 HA -0.16 -0.03 0.33 -0.75 4.56 3.94 3h37A1 TYR 70 HB2 -0.08 0.02 0.12 -0.04 3.06 3.08 3h37A1 TYR 70 HB3 -0.23 0.07 0.12 -0.04 2.98 2.90 3h37A1 TYR 70 HD2 -0.11 -0.02 -0.09 -0.04 7.15 6.88 3h37A1 TYR 70 HE2 0.03 -0.04 -0.04 -0.04 6.85 6.76 3h37A1 ALA 71 H -0.28 0.75 -0.17 -0.55 8.40 8.16 3h37A1 ALA 71 HA -0.62 -0.02 0.21 -0.75 4.34 3.16 3h37A1 ALA 71 HB3 -0.23 0.00 -0.04 -0.04 1.41 1.10 3h37A1 LYS 72 H -0.19 0.44 -0.40 -0.55 8.42 7.71 3h37A1 LYS 72 HA -0.12 0.02 0.27 -0.75 4.32 3.73 3h37A1 LYS 72 HB2 -0.09 0.04 0.11 -0.04 1.87 1.90 3h37A1 LYS 72 HB3 -0.14 0.11 0.11 -0.04 1.79 1.83 3h37A1 LYS 72 HG2 -0.07 -0.10 -0.03 -0.04 1.46 1.23 3h37A1 LYS 72 HG3 -0.12 0.01 -0.08 -0.04 1.46 1.23 3h37A1 LYS 72 HD2 -0.05 0.02 -0.08 -0.04 1.69 1.54 3h37A1 LYS 72 HD3 -0.02 -0.14 -0.25 -0.04 1.68 1.23 3h37A1 LYS 72 HE2 -0.05 0.46 0.28 -0.04 2.99 3.64 3h37A1 LYS 72 HE3 -0.01 -0.18 -0.17 -0.04 2.99 2.59 3h37A1 ARG 73 H -0.49 0.46 -0.25 -0.55 8.46 7.63 3h37A1 ARG 73 HA -0.45 -0.03 0.38 -0.75 4.34 3.50 3h37A1 ARG 73 HB2 -1.68 0.12 0.04 -0.04 1.90 0.34 3h37A1 ARG 73 HB3 -0.99 -0.10 0.10 -0.04 1.80 0.77 3h37A1 ARG 73 HG2 -0.35 -0.08 0.02 -0.04 1.67 1.21 3h37A1 ARG 73 HG3 -0.41 0.17 0.05 -0.04 1.67 1.43 3h37A1 ARG 73 HD2 -0.18 -0.07 -0.04 -0.04 3.22 2.89 3h37A1 ARG 73 HD3 -0.45 0.03 0.03 -0.04 3.22 2.78 3h37A1 PHE 74 H -0.40 0.34 -0.50 -0.55 8.34 7.23 3h37A1 PHE 74 HA -0.13 0.10 0.85 -0.75 4.62 4.69 3h37A1 PHE 74 HB2 -0.42 0.07 -0.01 -0.04 3.15 2.75 3h37A1 PHE 74 HB3 -0.06 -0.09 0.03 -0.04 3.06 2.90 3h37A1 PHE 74 HD2 -0.66 0.05 -0.07 -0.04 7.28 6.56 3h37A1 PHE 74 HE2 -0.98 -0.04 -0.07 -0.04 7.38 6.25 3h37A1 PHE 74 HZ -0.32 -0.05 -0.05 -0.04 7.32 6.86 3h37A1 LEU 75 H -0.08 0.28 0.13 -0.55 8.37 8.15 3h37A1 LEU 75 HA 0.06 0.14 0.85 -0.75 4.35 4.65 3h37A1 LEU 75 HB2 0.02 0.04 -0.09 -0.04 1.64 1.56 3h37A1 LEU 75 HB3 0.03 -0.02 -0.17 -0.04 1.64 1.44 3h37A1 LEU 75 HG 0.09 -0.03 -0.06 -0.04 1.64 1.60 3h37A1 LEU 75 HD13 0.22 -0.00 -0.19 -0.04 0.93 0.92 3h37A1 LEU 75 HD23 0.26 -0.00 -0.11 -0.04 0.89 0.99 3h37A1 PRO 76 HA -0.02 0.11 0.61 -0.51 4.44 4.64 3h37A1 PRO 76 HB2 0.00 -0.04 0.02 -0.04 2.28 2.23 3h37A1 PRO 76 HB3 -0.00 0.05 0.06 -0.04 2.02 2.09 3h37A1 PRO 76 HG2 0.01 -0.06 0.22 -0.04 2.03 2.16 3h37A1 PRO 76 HG3 0.01 0.01 0.10 -0.04 2.03 2.12 3h37A1 PRO 76 HD2 0.03 0.05 0.24 -0.04 3.68 3.96 3h37A1 PRO 76 HD3 0.03 0.27 0.18 -0.04 3.65 4.08 3h37A1 GLY 77 H -0.01 0.31 0.23 -0.55 8.43 8.42 3h37A1 GLY 77 HA2 0.03 -0.06 0.35 -0.51 4.01 3.83 3h37A1 GLY 77 HA3 0.04 0.21 0.57 -0.51 4.01 4.33 3h37A1 LYS 78 H 0.12 0.62 0.36 -0.55 8.42 8.96 3h37A1 LYS 78 HA 0.04 0.16 0.95 -0.75 4.32 4.71 3h37A1 LYS 78 HB2 0.05 0.01 0.02 -0.04 1.87 1.90 3h37A1 LYS 78 HB3 0.13 -0.04 0.13 -0.04 1.79 1.97 3h37A1 LYS 78 HG2 0.04 -0.01 -0.09 -0.04 1.46 1.35 3h37A1 LYS 78 HG3 0.01 0.03 0.06 -0.04 1.46 1.53 3h37A1 LYS 78 HD2 -0.03 0.00 -0.02 -0.04 1.69 1.60 3h37A1 LYS 78 HD3 -0.08 -0.02 -0.03 -0.04 1.68 1.51 3h37A1 LYS 78 HE2 -0.02 -0.01 -0.03 -0.04 2.99 2.89 3h37A1 LYS 78 HE3 -0.01 0.02 -0.01 -0.04 2.99 2.94 3h37A1 LEU 79 H 0.03 0.19 0.12 -0.55 8.37 8.17 3h37A1 LEU 79 HA 0.07 0.33 1.21 -0.75 4.35 5.20 3h37A1 LEU 79 HB2 -0.00 0.05 -0.06 -0.04 1.64 1.59 3h37A1 LEU 79 HB3 -0.00 -0.03 0.14 -0.04 1.64 1.71 3h37A1 LEU 79 HG -0.00 -0.07 -0.47 -0.04 1.64 1.05 3h37A1 LEU 79 HD13 -0.01 0.04 -0.19 -0.04 0.93 0.73 3h37A1 LEU 79 HD23 -0.02 0.02 -0.15 -0.04 0.89 0.70 3h37A1 VAL 80 H 0.16 0.46 0.23 -0.55 8.24 8.54 3h37A1 VAL 80 HA 0.06 0.11 0.84 -0.75 4.13 4.39 3h37A1 VAL 80 HB 0.25 0.01 0.15 -0.04 2.12 2.49 3h37A1 VAL 80 HG13 0.21 -0.01 -0.15 -0.04 0.97 0.98 3h37A1 VAL 80 HG23 0.16 0.01 -0.04 -0.04 0.95 1.04 3h37A1 LYS 81 H 0.01 0.22 0.11 -0.55 8.42 8.20 3h37A1 LYS 81 HA -0.26 0.15 1.08 -0.75 4.32 4.54 3h37A1 LYS 81 HB2 -0.01 0.02 -0.03 -0.04 1.87 1.81 3h37A1 LYS 81 HB3 -0.03 0.05 -0.06 -0.04 1.79 1.71 3h37A1 LYS 81 HG2 -0.00 0.10 -0.13 -0.04 1.46 1.39 3h37A1 LYS 81 HG3 0.01 -0.06 0.16 -0.04 1.46 1.54 3h37A1 LYS 81 HD2 0.01 0.01 0.00 -0.04 1.69 1.67 3h37A1 LYS 81 HD3 0.02 -0.04 -0.00 -0.04 1.68 1.61 3h37A1 LYS 81 HE2 0.00 0.03 -0.09 -0.04 2.99 2.90 3h37A1 LYS 81 HE3 -0.00 0.04 -0.09 -0.04 2.99 2.90 3h37A1 HIS 82 H -0.62 0.27 -0.12 -0.55 8.41 7.39 3h37A1 HIS 82 HA 0.14 0.02 0.56 -0.75 4.63 4.60 3h37A1 HIS 82 HB2 0.20 0.07 0.15 -0.04 3.26 3.64 3h37A1 HIS 82 HB3 0.20 -0.04 0.05 -0.04 3.20 3.37 3h37A1 HIS 82 HD2 0.07 -0.01 -0.24 -0.04 6.97 6.75 3h37A1 HIS 82 HE1 0.00 0.02 -0.16 -0.04 7.75 7.57 3h37A1 ASP 83 H 0.14 0.30 0.20 -0.55 8.40 8.50 3h37A1 ASP 83 HA 0.08 0.06 0.17 -0.75 4.63 4.20 3h37A1 ASP 83 HB2 0.07 -0.06 0.16 -0.04 2.71 2.83 3h37A1 ASP 83 HB3 0.04 0.02 -0.02 -0.04 2.70 2.70 3h37A1 LYS 84 H 0.10 0.01 -0.19 -0.55 8.42 7.78 3h37A1 LYS 84 HA -0.07 0.06 0.29 -0.75 4.32 3.84 3h37A1 LYS 84 HB2 -0.12 -0.05 0.09 -0.04 1.87 1.75 3h37A1 LYS 84 HB3 -0.63 -0.00 0.02 -0.04 1.79 1.14 3h37A1 LYS 84 HG2 -0.33 0.04 -0.04 -0.04 1.46 1.09 3h37A1 LYS 84 HG3 -0.14 -0.00 0.06 -0.04 1.46 1.34 3h37A1 LYS 84 HD2 -0.13 -0.03 0.01 -0.04 1.69 1.51 3h37A1 LYS 84 HD3 -0.31 0.00 -0.01 -0.04 1.68 1.32 3h37A1 LYS 84 HE2 -0.14 0.02 0.00 -0.04 2.99 2.83 3h37A1 LYS 84 HE3 -0.08 -0.01 0.01 -0.04 2.99 2.87 3h37A1 PHE 85 H 0.36 0.12 -0.17 -0.55 8.34 8.10 3h37A1 PHE 85 HA 0.04 0.11 0.57 -0.75 4.62 4.59 3h37A1 PHE 85 HB2 0.11 0.12 -0.13 -0.04 3.15 3.21 3h37A1 PHE 85 HB3 0.06 -0.03 0.01 -0.04 3.06 3.05 3h37A1 PHE 85 HD2 0.07 0.06 -0.02 -0.04 7.28 7.35 3h37A1 PHE 85 HE2 0.01 -0.02 -0.03 -0.04 7.38 7.31 3h37A1 PHE 85 HZ -0.00 -0.01 -0.02 -0.04 7.32 7.25 3h37A1 THR 87 HA 0.09 0.08 0.54 -0.75 4.39 4.36 3h37A1 THR 87 HB 0.36 -0.11 -0.04 -0.04 4.32 4.49 3h37A1 THR 87 HG23 0.11 -0.06 0.10 -0.04 1.22 1.33 3h37A1 ALA 88 H 0.00 0.33 0.36 -0.55 8.40 8.55 3h37A1 ALA 88 HA -0.46 -0.03 0.65 -0.75 4.34 3.75 3h37A1 ALA 88 HB3 -0.03 0.04 -0.04 -0.04 1.41 1.34 3h37A1 SER 89 H -0.11 0.66 0.31 -0.55 8.46 8.77 3h37A1 SER 89 HA -0.11 0.27 0.95 -0.75 4.49 4.85 3h37A1 SER 89 HB2 0.04 -0.06 0.06 -0.04 3.95 3.95 3h37A1 SER 89 HB3 -0.43 0.01 -0.10 -0.04 3.93 3.37 3h37A1 LEU 90 H -0.12 0.69 0.31 -0.55 8.37 8.70 3h37A1 LEU 90 HA -0.01 0.18 0.78 -0.75 4.35 4.54 3h37A1 LEU 90 HB2 -0.01 0.03 0.14 -0.04 1.64 1.76 3h37A1 LEU 90 HB3 -0.04 -0.08 0.13 -0.04 1.64 1.61 3h37A1 LEU 90 HG 0.01 -0.02 -0.15 -0.04 1.64 1.44 3h37A1 LEU 90 HD13 0.01 0.04 -0.32 -0.04 0.93 0.62 3h37A1 LEU 90 HD23 -0.01 -0.01 -0.09 -0.04 0.89 0.74 3h37A1 PHE 91 H 0.17 0.87 0.39 -0.55 8.34 9.21 3h37A1 PHE 91 HA 0.01 0.12 0.97 -0.75 4.62 4.97 3h37A1 PHE 91 HB2 0.01 -0.00 0.28 -0.04 3.15 3.39 3h37A1 PHE 91 HB3 0.01 0.02 0.07 -0.04 3.06 3.12 3h37A1 PHE 91 HD2 0.02 0.08 -0.04 -0.04 7.28 7.30 3h37A1 PHE 91 HE2 0.04 -0.01 -0.07 -0.04 7.38 7.30 3h37A1 PHE 91 HZ 0.04 -0.02 -0.08 -0.04 7.32 7.22 3h37A1 LEU 92 H 0.04 0.68 0.38 -0.55 8.37 8.93 3h37A1 LEU 92 HA 0.05 0.19 0.84 -0.75 4.35 4.68 3h37A1 LEU 92 HB2 0.01 0.02 -0.04 -0.04 1.64 1.58 3h37A1 LEU 92 HB3 0.01 -0.07 0.12 -0.04 1.64 1.66 3h37A1 LEU 92 HG -0.01 -0.02 -0.25 -0.04 1.64 1.32 3h37A1 LEU 92 HD13 -0.03 -0.02 -0.12 -0.04 0.93 0.72 3h37A1 LEU 92 HD23 0.02 0.01 -0.20 -0.04 0.89 0.68 3h37A1 LYS 93 H 0.03 0.21 0.20 -0.55 8.42 8.30 3h37A1 LYS 93 HA 0.03 0.05 0.45 -0.75 4.32 4.10 3h37A1 LYS 93 HB2 0.02 0.05 0.07 -0.04 1.87 1.96 3h37A1 LYS 93 HB3 0.02 -0.08 0.17 -0.04 1.79 1.86 3h37A1 LYS 93 HG2 0.02 -0.00 0.01 -0.04 1.46 1.45 3h37A1 LYS 93 HG3 0.02 0.15 0.08 -0.04 1.46 1.67 3h37A1 LYS 93 HD2 0.01 0.02 0.02 -0.04 1.69 1.70 3h37A1 LYS 93 HD3 0.01 -0.04 0.03 -0.04 1.68 1.64 3h37A1 LYS 93 HE2 0.01 -0.01 -0.04 -0.04 2.99 2.91 3h37A1 LYS 93 HE3 0.01 0.04 -0.06 -0.04 2.99 2.94 3h37A1 GLY 94 H 0.02 0.14 0.17 -0.55 8.43 8.22 3h37A1 GLY 94 HA2 0.02 0.02 0.34 -0.51 4.01 3.88 3h37A1 GLY 94 HA3 0.01 0.09 0.45 -0.51 4.01 4.05 3h37A1 GLY 95 H 0.04 -0.00 -0.29 -0.55 8.43 7.63 3h37A1 GLY 95 HA2 0.06 0.02 0.24 -0.51 4.01 3.82 3h37A1 GLY 95 HA3 0.04 -0.01 0.26 -0.51 4.01 3.79 3h37A1 LEU 96 H 0.04 0.32 -0.57 -0.55 8.37 7.61 3h37A1 LEU 96 HA 0.02 0.13 0.73 -0.75 4.35 4.47 3h37A1 LEU 96 HB2 0.00 0.07 -0.07 -0.04 1.64 1.60 3h37A1 LEU 96 HB3 -0.01 -0.03 -0.08 -0.04 1.64 1.48 3h37A1 LEU 96 HG -0.05 -0.01 -0.03 -0.04 1.64 1.51 3h37A1 LEU 96 HD13 -0.00 0.03 0.08 -0.04 0.93 0.99 3h37A1 LEU 96 HD23 -0.06 -0.02 -0.05 -0.04 0.89 0.72 3h37A1 ARG 97 H -0.03 0.26 0.21 -0.55 8.46 8.34 3h37A1 ARG 97 HA -0.18 0.27 1.08 -0.75 4.34 4.76 3h37A1 ARG 97 HB2 -0.06 0.05 -0.24 -0.04 1.90 1.60 3h37A1 ARG 97 HB3 -0.09 -0.04 0.03 -0.04 1.80 1.65 3h37A1 ARG 97 HG2 -0.89 0.09 -0.16 -0.04 1.67 0.67 3h37A1 ARG 97 HG3 -1.38 -0.03 -0.13 -0.04 1.67 0.08 3h37A1 ARG 97 HD2 -0.17 -0.03 -0.44 -0.04 3.22 2.53 3h37A1 ARG 97 HD3 -0.32 -0.03 -0.28 -0.04 3.22 2.56 3h37A1 ILE 98 H -0.20 0.62 0.31 -0.55 8.25 8.43 3h37A1 ILE 98 HA -0.07 0.25 1.21 -0.75 4.18 4.81 3h37A1 ILE 98 HB -0.02 0.12 0.11 -0.04 1.89 2.06 3h37A1 ILE 98 HG12 -0.03 -0.18 0.26 -0.04 1.49 1.49 3h37A1 ILE 98 HG13 0.05 0.03 -0.13 -0.04 1.21 1.12 3h37A1 ILE 98 HG23 -0.07 0.03 -0.18 -0.04 0.93 0.66 3h37A1 ILE 98 HD13 0.03 0.01 -0.06 -0.04 0.88 0.82 3h37A1 ASP 99 H -0.03 0.23 0.29 -0.55 8.40 8.34 3h37A1 ASP 99 HA -0.03 0.23 0.97 -0.75 4.63 5.05 3h37A1 ASP 99 HB2 0.02 -0.10 0.14 -0.04 2.71 2.73 3h37A1 ASP 99 HB3 0.02 0.05 0.12 -0.04 2.70 2.86 3h37A1 ILE 100 H 0.03 0.65 0.40 -0.55 8.25 8.78 3h37A1 ILE 100 HA 0.05 0.38 1.07 -0.75 4.18 4.93 3h37A1 ILE 100 HB 0.11 -0.03 0.02 -0.04 1.89 1.95 3h37A1 ILE 100 HG12 0.16 0.06 -0.28 -0.04 1.49 1.39 3h37A1 ILE 100 HG13 0.08 -0.03 -0.49 -0.04 1.21 0.73 3h37A1 ILE 100 HG23 0.12 -0.02 -0.13 -0.04 0.93 0.87 3h37A1 ILE 100 HD13 0.30 -0.01 -0.14 -0.04 0.88 0.98 3h37A1 ALA 101 H 0.03 0.50 0.39 -0.55 8.40 8.78 3h37A1 ALA 101 HA 0.07 0.20 1.00 -0.75 4.34 4.85 3h37A1 ALA 101 HB3 0.05 0.00 0.06 -0.04 1.41 1.49 3h37A1 THR 102 H 0.06 0.29 0.27 -0.55 8.28 8.35 3h37A1 THR 102 HA 0.04 0.23 0.97 -0.75 4.39 4.87 3h37A1 THR 102 HB 0.06 0.15 0.06 -0.04 4.32 4.54 3h37A1 THR 102 HG23 0.04 0.01 -0.06 -0.04 1.22 1.17 3h37A1 ALA 103 H 0.04 0.24 0.21 -0.55 8.40 8.34 3h37A1 ALA 103 HA 0.04 0.04 0.21 -0.75 4.34 3.88 3h37A1 ALA 103 HB3 0.04 0.01 0.13 -0.04 1.41 1.54 3h37A1 GLU 118 HA 0.01 -0.03 0.07 -0.75 4.29 3.58 3h37A1 GLU 118 HB2 0.04 0.07 0.12 -0.04 2.09 2.28 3h37A1 GLU 118 HB3 0.02 -0.02 0.06 -0.04 1.99 2.01 3h37A1 GLU 118 HG2 0.01 -0.02 0.02 -0.04 2.34 2.31 3h37A1 GLU 118 HG3 0.00 -0.00 -0.00 -0.04 2.34 2.30 3h37A1 SER 120 HA 0.12 -0.14 0.33 -0.75 4.49 4.05 3h37A1 SER 120 HB2 0.07 0.09 0.12 -0.04 3.95 4.19 3h37A1 SER 120 HB3 0.17 -0.05 0.11 -0.04 3.93 4.12 3h37A1 THR 121 H 0.05 0.21 0.40 -0.55 8.28 8.39 3h37A1 THR 121 HA -0.02 0.14 0.57 -0.75 4.39 4.33 3h37A1 THR 121 HB 0.03 -0.03 0.21 -0.04 4.32 4.48 3h37A1 THR 121 HG23 0.00 0.01 -0.07 -0.04 1.22 1.12 3h37A1 ILE 122 H 0.02 0.12 0.10 -0.55 8.25 7.94 3h37A1 ILE 122 HA -0.07 0.10 0.48 -0.75 4.18 3.94 3h37A1 ILE 122 HB -0.37 0.01 0.04 -0.04 1.89 1.52 3h37A1 ILE 122 HG12 -1.26 0.05 -0.10 -0.04 1.49 0.13 3h37A1 ILE 122 HG13 -0.29 0.03 -0.03 -0.04 1.21 0.88 3h37A1 ILE 122 HG23 -0.04 0.01 -0.15 -0.04 0.93 0.71 3h37A1 ILE 122 HD13 -0.29 -0.00 -0.10 -0.04 0.88 0.45 3h37A1 LYS 123 H 0.02 0.10 -0.87 -0.55 8.42 7.12 3h37A1 LYS 123 HA 0.20 0.11 0.50 -0.75 4.32 4.38 3h37A1 LYS 123 HB2 -0.56 0.07 -0.00 -0.04 1.87 1.34 3h37A1 LYS 123 HB3 -0.27 0.04 0.08 -0.04 1.79 1.60 3h37A1 LYS 123 HG2 -0.37 -0.04 -0.14 -0.04 1.46 0.86 3h37A1 LYS 123 HG3 -1.89 -0.03 -0.01 -0.04 1.46 -0.52 3h37A1 LYS 123 HD2 -0.72 0.05 -0.00 -0.04 1.69 0.97 3h37A1 LYS 123 HD3 -0.39 0.02 -0.04 -0.04 1.68 1.22 3h37A1 LYS 123 HE2 -0.42 -0.03 -0.07 -0.04 2.99 2.43 3h37A1 LYS 123 HE3 -0.60 -0.00 -0.02 -0.04 2.99 2.33 3h37A1 LYS 124 H -0.05 0.16 -0.05 -0.55 8.42 7.93 3h37A1 LYS 124 HA 0.04 0.04 0.34 -0.75 4.32 3.99 3h37A1 LYS 124 HB2 -0.03 0.00 0.10 -0.04 1.87 1.90 3h37A1 LYS 124 HB3 -0.00 0.11 0.09 -0.04 1.79 1.95 3h37A1 LYS 124 HG2 0.02 0.02 -0.10 -0.04 1.46 1.37 3h37A1 LYS 124 HG3 0.01 -0.02 0.05 -0.04 1.46 1.46 3h37A1 LYS 124 HD2 -0.01 -0.01 0.01 -0.04 1.69 1.64 3h37A1 LYS 124 HD3 0.00 0.02 0.00 -0.04 1.68 1.66 3h37A1 LYS 124 HE2 0.01 0.03 -0.01 -0.04 2.99 2.97 3h37A1 LYS 124 HE3 0.00 -0.02 0.00 -0.04 2.99 2.93 3h37A1 ASP 125 H 0.05 0.17 -0.72 -0.55 8.40 7.35 3h37A1 ASP 125 HA 0.04 0.14 0.52 -0.75 4.63 4.58 3h37A1 ASP 125 HB2 0.02 -0.00 0.04 -0.04 2.71 2.73 3h37A1 ASP 125 HB3 0.02 0.01 -0.00 -0.04 2.70 2.68 3h37A1 LEU 126 H 0.13 0.41 -0.14 -0.55 8.37 8.22 3h37A1 LEU 126 HA 0.09 0.04 0.52 -0.75 4.35 4.25 3h37A1 LEU 126 HB2 0.41 0.02 0.16 -0.04 1.64 2.19 3h37A1 LEU 126 HB3 0.30 0.01 0.12 -0.04 1.64 2.03 3h37A1 LEU 126 HG 0.05 0.46 0.16 -0.04 1.64 2.26 3h37A1 LEU 126 HD13 -0.02 -0.01 -0.10 -0.04 0.93 0.75 3h37A1 LEU 126 HD23 0.02 -0.06 -0.12 -0.04 0.89 0.69 3h37A1 TYR 127 H 0.28 0.51 -0.32 -0.55 8.29 8.21 3h37A1 TYR 127 HA -0.41 -0.02 0.25 -0.75 4.56 3.63 3h37A1 TYR 127 HB2 0.11 0.10 -0.03 -0.04 3.06 3.20 3h37A1 TYR 127 HB3 -0.07 0.11 -0.07 -0.04 2.98 2.91 3h37A1 TYR 127 HD2 -0.41 0.01 -0.06 -0.04 7.15 6.66 3h37A1 TYR 127 HE2 -0.13 0.03 -0.06 -0.04 6.85 6.64 3h37A1 ARG 128 H 0.00 0.27 -0.67 -0.55 8.46 7.51 3h37A1 ARG 128 HA -0.26 0.13 0.64 -0.75 4.34 4.10 3h37A1 ARG 128 HB2 -0.08 -0.05 0.17 -0.04 1.90 1.89 3h37A1 ARG 128 HB3 -0.09 -0.02 0.02 -0.04 1.80 1.67 3h37A1 ARG 128 HG2 0.00 0.13 0.11 -0.04 1.67 1.87 3h37A1 ARG 128 HG3 -0.02 0.02 -0.02 -0.04 1.67 1.61 3h37A1 ARG 128 HD2 -0.02 -0.05 0.05 -0.04 3.22 3.15 3h37A1 ARG 128 HD3 -0.01 -0.02 0.04 -0.04 3.22 3.19 3h37A1 ARG 129 H -0.16 0.31 -0.60 -0.55 8.46 7.47 3h37A1 ARG 129 HA -0.10 0.18 0.88 -0.75 4.34 4.54 3h37A1 ARG 129 HB2 -0.09 0.04 -0.10 -0.04 1.90 1.71 3h37A1 ARG 129 HB3 -0.06 -0.19 0.10 -0.04 1.80 1.61 3h37A1 ARG 129 HG2 -0.02 0.02 -0.23 -0.04 1.67 1.40 3h37A1 ARG 129 HG3 -0.00 0.33 0.06 -0.04 1.67 2.02 3h37A1 ARG 129 HD2 0.02 0.08 0.05 -0.04 3.22 3.34 3h37A1 ARG 129 HD3 0.01 -0.09 0.01 -0.04 3.22 3.10 3h37A1 ASP 130 H -0.18 0.07 0.07 -0.55 8.40 7.81 3h37A1 ASP 130 HA -0.46 0.14 0.40 -0.75 4.63 3.97 3h37A1 ASP 130 HB2 -1.44 -0.01 -0.03 -0.04 2.71 1.19 3h37A1 ASP 130 HB3 -0.40 0.05 0.04 -0.04 2.70 2.35 3h37A1 PHE 131 H -0.15 0.06 0.07 -0.55 8.34 7.77 3h37A1 PHE 131 HA -0.07 0.32 0.94 -0.75 4.62 5.05 3h37A1 PHE 131 HB2 -0.06 -0.07 -0.05 -0.04 3.15 2.92 3h37A1 PHE 131 HB3 -0.01 -0.03 0.05 -0.04 3.06 3.03 3h37A1 PHE 131 HD2 0.06 0.00 -0.27 -0.04 7.28 7.03 3h37A1 PHE 131 HE2 0.35 0.03 -0.17 -0.04 7.38 7.55 3h37A1 PHE 131 HZ 0.16 0.07 -0.07 -0.04 7.32 7.44 3h37A1 THR 132 H 0.13 0.59 0.28 -0.55 8.28 8.73 3h37A1 THR 132 HA 0.07 0.15 0.37 -0.75 4.39 4.23 3h37A1 THR 132 HB 0.13 -0.09 -0.18 -0.04 4.32 4.14 3h37A1 THR 132 HG23 0.07 0.10 -0.12 -0.04 1.22 1.22 3h37A1 ILE 133 H 0.05 0.13 -0.10 -0.55 8.25 7.78 3h37A1 ILE 133 HA -0.02 0.12 0.33 -0.75 4.18 3.85 3h37A1 ILE 133 HB -0.13 0.08 0.08 -0.04 1.89 1.87 3h37A1 ILE 133 HG12 -0.05 -0.00 0.00 -0.04 1.49 1.39 3h37A1 ILE 133 HG13 -0.10 -0.10 -0.21 -0.04 1.21 0.76 3h37A1 ILE 133 HG23 -0.04 0.06 -0.04 -0.04 0.93 0.86 3h37A1 ILE 133 HD13 -0.30 0.03 -0.12 -0.04 0.88 0.44 3h37A1 ASN 134 H 0.04 0.16 -0.75 -0.55 8.53 7.42 3h37A1 ASN 134 HA -0.02 0.21 0.76 -0.75 4.76 4.95 3h37A1 ASN 134 HB2 0.05 -0.04 -0.03 -0.04 2.88 2.82 3h37A1 ASN 134 HB3 0.03 -0.04 0.10 -0.04 2.79 2.83 3h37A1 ASN 134 HD21 -0.66 0.08 -0.10 -0.04 7.03 6.30 3h37A1 ASN 134 HD22 0.20 -0.09 -0.05 -0.04 7.74 7.76 3h37A1 ALA 135 H 0.06 0.38 -0.30 -0.55 8.40 7.99 3h37A1 ALA 135 HA 0.07 0.20 0.73 -0.75 4.34 4.59 3h37A1 ALA 135 HB3 0.15 0.03 0.04 -0.04 1.41 1.58 3h37A1 ALA 137 HA -0.00 -0.00 0.43 -0.75 4.34 4.01 3h37A1 ALA 137 HB3 -0.11 -0.02 -0.02 -0.04 1.41 1.22 3h37A1 ILE 138 H 0.01 0.69 0.30 -0.55 8.25 8.70 3h37A1 ILE 138 HA -0.04 0.36 0.96 -0.75 4.18 4.69 3h37A1 ILE 138 HB -0.14 -0.09 0.13 -0.04 1.89 1.75 3h37A1 ILE 138 HG12 -0.07 0.02 -0.19 -0.04 1.49 1.21 3h37A1 ILE 138 HG13 -0.02 -0.06 -0.20 -0.04 1.21 0.89 3h37A1 ILE 138 HG23 -0.24 0.02 -0.22 -0.04 0.93 0.45 3h37A1 ILE 138 HD13 -0.04 -0.01 -0.10 -0.04 0.88 0.69 3h37A1 LYS 139 H 0.02 0.54 0.24 -0.55 8.42 8.66 3h37A1 LYS 139 HA -0.01 0.02 0.62 -0.75 4.32 4.18 3h37A1 LYS 139 HB2 0.20 -0.02 0.10 -0.04 1.87 2.11 3h37A1 LYS 139 HB3 -0.00 0.14 0.19 -0.04 1.79 2.07 3h37A1 LYS 139 HG2 -0.11 -0.06 -0.15 -0.04 1.46 1.10 3h37A1 LYS 139 HG3 -0.42 -0.05 0.07 -0.04 1.46 1.03 3h37A1 LYS 139 HD2 0.13 0.03 -0.01 -0.04 1.69 1.81 3h37A1 LYS 139 HD3 -0.02 -0.01 -0.01 -0.04 1.68 1.61 3h37A1 LYS 139 HE2 -0.11 -0.07 0.02 -0.04 2.99 2.78 3h37A1 LYS 139 HE3 -0.25 -0.04 -0.01 -0.04 2.99 2.65 3h37A1 LEU 140 H -0.20 1.02 0.55 -0.55 8.37 9.19 3h37A1 LEU 140 HA -0.07 0.25 0.70 -0.75 4.35 4.49 3h37A1 LEU 140 HB2 -0.03 -0.01 -0.04 -0.04 1.64 1.52 3h37A1 LEU 140 HB3 0.12 -0.00 0.03 -0.04 1.64 1.75 3h37A1 LEU 140 HG -0.08 -0.03 -0.09 -0.04 1.64 1.40 3h37A1 LEU 140 HD13 0.18 0.00 -0.11 -0.04 0.93 0.95 3h37A1 LEU 140 HD23 -0.29 0.05 -0.18 -0.04 0.89 0.42 3h37A1 ASN 141 H -0.10 0.03 0.10 -0.55 8.53 8.01 3h37A1 ASN 141 HA 0.02 0.17 0.40 -0.75 4.76 4.59 3h37A1 ASN 141 HB2 -0.05 -0.07 0.08 -0.04 2.88 2.81 3h37A1 ASN 141 HB3 -0.02 0.05 0.06 -0.04 2.79 2.83 3h37A1 ASN 141 HD21 -0.07 -0.00 0.05 -0.04 7.03 6.96 3h37A1 ASN 141 HD22 -0.02 0.08 0.02 -0.04 7.74 7.78 3h37A1 PRO 142 HA 0.00 0.09 0.25 -0.51 4.44 4.27 3h37A1 PRO 142 HB2 -0.03 0.01 0.01 -0.04 2.28 2.22 3h37A1 PRO 142 HB3 -0.08 0.03 0.10 -0.04 2.02 2.03 3h37A1 PRO 142 HG2 -0.04 0.04 0.06 -0.04 2.03 2.04 3h37A1 PRO 142 HG3 -0.08 0.11 0.08 -0.04 2.03 2.11 3h37A1 PRO 142 HD2 -0.00 0.09 0.09 -0.04 3.68 3.81 3h37A1 PRO 142 HD3 0.01 0.09 -0.15 -0.04 3.65 3.56 3h37A1 LYS 143 H 0.00 0.03 -0.54 -0.55 8.42 7.36 3h37A1 LYS 143 HA -0.01 0.11 0.54 -0.75 4.32 4.21 3h37A1 LYS 143 HB2 -0.01 -0.01 0.03 -0.04 1.87 1.83 3h37A1 LYS 143 HB3 -0.02 -0.01 -0.01 -0.04 1.79 1.71 3h37A1 LYS 143 HG2 -0.03 0.01 -0.12 -0.04 1.46 1.29 3h37A1 LYS 143 HG3 -0.02 -0.00 0.04 -0.04 1.46 1.44 3h37A1 LYS 143 HD2 -0.02 -0.00 -0.03 -0.04 1.69 1.60 3h37A1 LYS 143 HD3 -0.03 0.00 -0.06 -0.04 1.68 1.55 3h37A1 LYS 143 HE2 -0.03 -0.00 -0.01 -0.04 2.99 2.90 3h37A1 LYS 143 HE3 -0.02 0.00 -0.01 -0.04 2.99 2.91 3h37A1 ASP 144 H 0.02 0.56 -0.12 -0.55 8.40 8.32 3h37A1 ASP 144 HA -0.01 0.16 0.76 -0.75 4.63 4.78 3h37A1 ASP 144 HB2 -0.03 -0.01 0.00 -0.04 2.71 2.64 3h37A1 ASP 144 HB3 -0.03 -0.02 0.13 -0.04 2.70 2.74 3h37A1 PHE 145 H 0.16 0.19 -0.40 -0.55 8.34 7.74 3h37A1 PHE 145 HA -0.05 0.18 -0.17 -0.75 4.62 3.83 3h37A1 PHE 145 HB2 -0.03 0.02 -0.11 -0.04 3.15 2.99 3h37A1 PHE 145 HB3 -0.03 -0.10 0.06 -0.04 3.06 2.95 3h37A1 PHE 145 HD2 -0.02 0.13 -0.06 -0.04 7.28 7.28 3h37A1 PHE 145 HE2 0.03 -0.00 -0.23 -0.04 7.38 7.13 3h37A1 PHE 145 HZ 0.08 -0.02 -0.12 -0.04 7.32 7.21 3h37A1 GLY 146 H 0.06 0.04 -0.07 -0.55 8.43 7.91 3h37A1 GLY 146 HA2 -0.37 0.23 0.50 -0.51 4.01 3.86 3h37A1 GLY 146 HA3 -0.11 -0.22 0.32 -0.51 4.01 3.50 3h37A1 LEU 147 H -0.11 0.69 -0.28 -0.55 8.37 8.13 3h37A1 LEU 147 HA -0.04 0.15 0.78 -0.75 4.35 4.49 3h37A1 LEU 147 HB2 -0.03 -0.10 -0.02 -0.04 1.64 1.45 3h37A1 LEU 147 HB3 -0.02 0.14 0.23 -0.04 1.64 1.95 3h37A1 LEU 147 HG 0.10 0.10 -0.30 -0.04 1.64 1.49 3h37A1 LEU 147 HD13 0.03 -0.02 -0.00 -0.04 0.93 0.90 3h37A1 LEU 147 HD23 -0.04 -0.03 -0.02 -0.04 0.89 0.76 3h37A1 LEU 148 H -0.05 0.44 0.47 -0.55 8.37 8.68 3h37A1 LEU 148 HA -0.07 0.22 0.67 -0.75 4.35 4.42 3h37A1 LEU 148 HB2 -0.08 -0.09 0.13 -0.04 1.64 1.56 3h37A1 LEU 148 HB3 -0.12 -0.06 0.05 -0.04 1.64 1.47 3h37A1 LEU 148 HG -0.04 -0.03 -0.06 -0.04 1.64 1.47 3h37A1 LEU 148 HD13 -0.06 -0.02 -0.15 -0.04 0.93 0.66 3h37A1 LEU 148 HD23 -0.06 0.02 -0.14 -0.04 0.89 0.67 3h37A1 ILE 149 H -0.12 0.79 0.37 -0.55 8.25 8.74 3h37A1 ILE 149 HA -0.33 0.19 0.97 -0.75 4.18 4.27 3h37A1 ILE 149 HB -0.26 0.04 0.22 -0.04 1.89 1.85 3h37A1 ILE 149 HG12 0.16 -0.03 -0.15 -0.04 1.49 1.42 3h37A1 ILE 149 HG13 0.02 0.18 -0.37 -0.04 1.21 1.00 3h37A1 ILE 149 HG23 -0.86 -0.05 -0.11 -0.04 0.93 -0.14 3h37A1 ILE 149 HD13 0.11 -0.04 -0.07 -0.04 0.88 0.83 3h37A1 ASP 150 H -0.44 0.77 0.16 -0.55 8.40 8.34 3h37A1 ASP 150 HA -0.24 0.20 0.86 -0.75 4.63 4.70 3h37A1 ASP 150 HB2 -0.12 0.06 -0.12 -0.04 2.71 2.48 3h37A1 ASP 150 HB3 -0.19 0.24 0.20 -0.04 2.70 2.92 3h37A1 PHE 151 H -0.60 0.33 0.08 -0.55 8.34 7.59 3h37A1 PHE 151 HA -0.45 0.12 0.50 -0.75 4.62 4.03 3h37A1 PHE 151 HB2 -1.86 0.04 0.08 -0.04 3.15 1.37 3h37A1 PHE 151 HB3 -0.95 0.02 0.04 -0.04 3.06 2.13 3h37A1 PHE 151 HD2 -0.36 0.04 0.01 -0.04 7.28 6.93 3h37A1 PHE 151 HE2 -0.19 -0.04 -0.16 -0.04 7.38 6.94 3h37A1 PHE 151 HZ -0.08 -0.01 -0.05 -0.04 7.32 7.13 3h37A1 PHE 152 H -0.13 -0.00 -0.22 -0.55 8.34 7.44 3h37A1 PHE 152 HA 0.06 0.31 0.63 -0.75 4.62 4.87 3h37A1 PHE 152 HB2 0.06 -0.06 0.00 -0.04 3.15 3.12 3h37A1 PHE 152 HB3 0.08 0.06 0.07 -0.04 3.06 3.23 3h37A1 PHE 152 HD2 0.11 0.07 -0.07 -0.04 7.28 7.35 3h37A1 PHE 152 HE2 0.05 0.05 -0.13 -0.04 7.38 7.31 3h37A1 PHE 152 HZ 0.17 0.05 -0.10 -0.04 7.32 7.41 3h37A1 GLY 153 H 0.01 0.26 -0.22 -0.55 8.43 7.93 3h37A1 GLY 153 HA2 0.03 0.10 0.28 -0.51 4.01 3.91 3h37A1 GLY 153 HA3 0.05 0.18 0.45 -0.51 4.01 4.18 3h37A1 GLY 154 H 0.09 0.09 -0.24 -0.55 8.43 7.82 3h37A1 GLY 154 HA2 0.03 -0.01 0.22 -0.51 4.01 3.75 3h37A1 GLY 154 HA3 0.05 0.25 0.09 -0.51 4.01 3.89 3h37A1 TYR 155 H 0.11 0.09 -0.30 -0.55 8.29 7.64 3h37A1 TYR 155 HA -0.07 0.16 0.42 -0.75 4.56 4.32 3h37A1 TYR 155 HB2 -0.07 0.02 -0.02 -0.04 3.06 2.94 3h37A1 TYR 155 HB3 -0.06 0.04 -0.05 -0.04 2.98 2.86 3h37A1 TYR 155 HD2 -0.06 -0.00 -0.15 -0.04 7.15 6.90 3h37A1 TYR 155 HE2 -0.05 0.01 -0.04 -0.04 6.85 6.73 3h37A1 ARG 156 H 0.06 0.02 -0.34 -0.55 8.46 7.65 3h37A1 ARG 156 HA -0.02 0.12 0.49 -0.75 4.34 4.17 3h37A1 ARG 156 HB2 0.03 -0.01 0.08 -0.04 1.90 1.96 3h37A1 ARG 156 HB3 0.01 0.20 0.21 -0.04 1.80 2.17 3h37A1 ARG 156 HG2 -0.04 0.00 -0.28 -0.04 1.67 1.32 3h37A1 ARG 156 HG3 -0.01 0.01 -0.02 -0.04 1.67 1.60 3h37A1 ARG 156 HD2 -0.01 -0.02 -0.05 -0.04 3.22 3.11 3h37A1 ARG 156 HD3 0.00 0.01 -0.01 -0.04 3.22 3.18 3h37A1 ASP 157 H -0.03 0.59 0.01 -0.55 8.40 8.42 3h37A1 ASP 157 HA -0.11 0.06 0.14 -0.75 4.63 3.97 3h37A1 ASP 157 HB2 -0.03 -0.04 0.04 -0.04 2.71 2.64 3h37A1 ASP 157 HB3 -0.06 0.07 -0.01 -0.04 2.70 2.66 3h37A1 LEU 158 H -0.14 0.42 -0.49 -0.55 8.37 7.62 3h37A1 LEU 158 HA -0.22 0.00 0.41 -0.75 4.35 3.78 3h37A1 LEU 158 HB2 -0.14 0.15 0.16 -0.04 1.64 1.77 3h37A1 LEU 158 HB3 -0.27 -0.00 0.11 -0.04 1.64 1.43 3h37A1 LEU 158 HG -0.15 -0.03 -0.02 -0.04 1.64 1.39 3h37A1 LEU 158 HD13 -0.20 0.01 -0.24 -0.04 0.93 0.46 3h37A1 LEU 158 HD23 -0.11 -0.01 0.01 -0.04 0.89 0.74 3h37A1 LYS 159 H -0.31 0.41 -0.22 -0.55 8.42 7.75 3h37A1 LYS 159 HA -0.26 0.02 0.34 -0.75 4.32 3.66 3h37A1 LYS 159 HB2 -0.49 0.05 0.19 -0.04 1.87 1.58 3h37A1 LYS 159 HB3 -0.21 0.05 0.17 -0.04 1.79 1.75 3h37A1 LYS 159 HG2 -0.14 0.00 0.03 -0.04 1.46 1.31 3h37A1 LYS 159 HG3 -0.19 -0.03 0.07 -0.04 1.46 1.27 3h37A1 LYS 159 HD2 -0.04 -0.04 -0.00 -0.04 1.69 1.57 3h37A1 LYS 159 HD3 -0.07 -0.01 -0.03 -0.04 1.68 1.54 3h37A1 LYS 159 HE2 -0.05 0.01 -0.03 -0.04 2.99 2.88 3h37A1 LYS 159 HE3 -0.04 -0.01 0.00 -0.04 2.99 2.91 3h37A1 GLU 160 H -0.23 0.36 -0.53 -0.55 8.60 7.65 3h37A1 GLU 160 HA -0.19 0.24 0.97 -0.75 4.29 4.55 3h37A1 GLU 160 HB2 -0.11 -0.04 0.12 -0.04 2.09 2.02 3h37A1 GLU 160 HB3 -0.11 -0.03 -0.09 -0.04 1.99 1.73 3h37A1 GLU 160 HG2 -0.12 0.33 -0.16 -0.04 2.34 2.35 3h37A1 GLU 160 HG3 -0.12 -0.07 -0.08 -0.04 2.34 2.04 3h37A1 GLY 161 H -0.65 0.46 -0.19 -0.55 8.43 7.49 3h37A1 GLY 161 HA2 -2.52 0.03 0.30 -0.51 4.01 1.31 3h37A1 GLY 161 HA3 -0.63 0.02 0.25 -0.51 4.01 3.13 3h37A1 VAL 162 H -0.38 0.66 0.00 -0.55 8.24 7.98 3h37A1 VAL 162 HA -0.05 0.31 1.04 -0.75 4.13 4.67 3h37A1 VAL 162 HB -0.09 -0.15 0.05 -0.04 2.12 1.89 3h37A1 VAL 162 HG13 -0.01 -0.06 -0.18 -0.04 0.97 0.68 3h37A1 VAL 162 HG23 -0.09 0.09 -0.14 -0.04 0.95 0.77 3h37A1 ILE 163 H 0.04 0.63 0.20 -0.55 8.25 8.57 3h37A1 ILE 163 HA -0.00 0.12 0.91 -0.75 4.18 4.45 3h37A1 ILE 163 HB -0.00 -0.07 -0.04 -0.04 1.89 1.73 3h37A1 ILE 163 HG12 0.16 0.05 -0.54 -0.04 1.49 1.12 3h37A1 ILE 163 HG13 0.06 0.05 -0.35 -0.04 1.21 0.93 3h37A1 ILE 163 HG23 -0.36 -0.01 -0.17 -0.04 0.93 0.36 3h37A1 ILE 163 HD13 0.10 0.04 -0.26 -0.04 0.88 0.72 3h37A1 ARG 164 H 0.07 0.17 0.08 -0.55 8.46 8.23 3h37A1 ARG 164 HA 0.09 0.12 0.99 -0.75 4.34 4.79 3h37A1 ARG 164 HB2 0.04 -0.01 -0.14 -0.04 1.90 1.74 3h37A1 ARG 164 HB3 0.05 -0.03 0.00 -0.04 1.80 1.79 3h37A1 ARG 164 HG2 0.04 0.32 -0.19 -0.04 1.67 1.80 3h37A1 ARG 164 HG3 0.04 -0.11 0.02 -0.04 1.67 1.57 3h37A1 ARG 164 HD2 0.05 0.04 -0.12 -0.04 3.22 3.15 3h37A1 ARG 164 HD3 0.04 0.03 -0.05 -0.04 3.22 3.20 3h37A1 VAL 165 H 0.07 0.10 0.14 -0.55 8.24 8.00 3h37A1 VAL 165 HA -0.06 0.32 0.77 -0.75 4.13 4.41 3h37A1 VAL 165 HB -0.08 -0.08 0.12 -0.04 2.12 2.04 3h37A1 VAL 165 HG13 -0.33 -0.06 -0.15 -0.04 0.97 0.38 3h37A1 VAL 165 HG23 -0.63 0.02 0.02 -0.04 0.95 0.32 3h37A1 LEU 166 H -0.24 0.37 0.19 -0.55 8.37 8.14 3h37A1 LEU 166 HA -0.11 0.06 0.18 -0.75 4.35 3.73 3h37A1 LEU 166 HB2 -0.33 0.12 0.10 -0.04 1.64 1.48 3h37A1 LEU 166 HB3 -0.49 -0.02 -0.02 -0.04 1.64 1.07 3h37A1 LEU 166 HG -0.28 0.09 -0.38 -0.04 1.64 1.03 3h37A1 LEU 166 HD13 -0.84 0.03 -0.10 -0.04 0.93 -0.02 3h37A1 LEU 166 HD23 -0.15 -0.03 -0.38 -0.04 0.89 0.28 3h37A1 HIS 167 H -0.27 0.11 0.07 -0.55 8.41 7.78 3h37A1 HIS 167 HA -0.08 0.25 0.77 -0.75 4.63 4.82 3h37A1 HIS 167 HB2 -0.10 -0.06 0.13 -0.04 3.26 3.19 3h37A1 HIS 167 HB3 -0.35 0.15 -0.09 -0.04 3.20 2.86 3h37A1 HIS 167 HD2 -0.14 0.01 -0.08 -0.04 6.97 6.71 3h37A1 HIS 167 HE1 -0.33 0.13 -0.07 -0.04 7.75 7.44 3h37A1 THR 168 H 0.01 0.21 0.12 -0.55 8.28 8.07 3h37A1 THR 168 HA -0.13 0.11 0.25 -0.75 4.39 3.88 3h37A1 THR 168 HB -0.03 0.04 0.13 -0.04 4.32 4.42 3h37A1 THR 168 HG23 0.00 0.01 0.03 -0.04 1.22 1.23 3h37A1 LEU 169 H -0.49 0.07 -0.49 -0.55 8.37 6.92 3h37A1 LEU 169 HA -0.20 0.26 0.94 -0.75 4.35 4.60 3h37A1 LEU 169 HB2 0.09 0.00 -0.00 -0.04 1.64 1.69 3h37A1 LEU 169 HB3 -0.03 0.03 0.12 -0.04 1.64 1.71 3h37A1 LEU 169 HG -0.07 0.03 -0.00 -0.04 1.64 1.56 3h37A1 LEU 169 HD13 -0.01 0.01 -0.28 -0.04 0.93 0.61 3h37A1 LEU 169 HD23 0.01 0.02 -0.03 -0.04 0.89 0.85 3h37A1 SER 170 H -0.76 0.35 -0.20 -0.55 8.46 7.31 3h37A1 SER 170 HA -0.46 0.13 0.31 -0.75 4.49 3.72 3h37A1 SER 170 HB2 -1.09 -0.02 0.01 -0.04 3.95 2.81 3h37A1 SER 170 HB3 -0.61 0.10 0.09 -0.04 3.93 3.47 3h37A1 PHE 171 H -0.51 0.13 -0.15 -0.55 8.34 7.26 3h37A1 PHE 171 HA -0.16 0.14 0.10 -0.75 4.62 3.95 3h37A1 PHE 171 HB2 -0.20 0.05 -0.00 -0.04 3.15 2.96 3h37A1 PHE 171 HB3 -0.15 0.04 -0.04 -0.04 3.06 2.87 3h37A1 PHE 171 HD2 -0.11 0.04 -0.17 -0.04 7.28 7.00 3h37A1 PHE 171 HE2 -0.02 0.04 -0.28 -0.04 7.38 7.08 3h37A1 PHE 171 HZ 0.03 -0.01 -0.09 -0.04 7.32 7.21 3h37A1 VAL 172 H -0.21 -0.01 -0.41 -0.55 8.24 7.06 3h37A1 VAL 172 HA -0.79 0.08 0.44 -0.75 4.13 3.11 3h37A1 VAL 172 HB -0.20 0.06 0.06 -0.04 2.12 2.00 3h37A1 VAL 172 HG13 -0.22 0.01 -0.06 -0.04 0.97 0.66 3h37A1 VAL 172 HG23 -0.38 -0.02 0.02 -0.04 0.95 0.53 3h37A1 ASP 173 H -0.16 0.55 -0.20 -0.55 8.40 8.04 3h37A1 ASP 173 HA -0.04 0.00 0.47 -0.75 4.63 4.30 3h37A1 ASP 173 HB2 -0.09 0.04 0.21 -0.04 2.71 2.82 3h37A1 ASP 173 HB3 -0.05 -0.05 -0.01 -0.04 2.70 2.56 3h37A1 ASP 174 H -0.12 0.90 -0.01 -0.55 8.40 8.63 3h37A1 ASP 174 HA -0.02 0.21 0.80 -0.75 4.63 4.86 3h37A1 ASP 174 HB2 -0.06 0.10 -0.16 -0.04 2.71 2.55 3h37A1 ASP 174 HB3 -0.11 -0.04 0.07 -0.04 2.70 2.59 3h37A1 PRO 175 HA 0.10 0.02 0.40 -0.51 4.44 4.45 3h37A1 PRO 175 HB2 0.06 0.02 -0.11 -0.04 2.28 2.21 3h37A1 PRO 175 HB3 0.08 -0.07 -0.22 -0.04 2.02 1.78 3h37A1 PRO 175 HG2 0.11 0.14 -0.07 -0.04 2.03 2.17 3h37A1 PRO 175 HG3 0.07 0.18 -0.02 -0.04 2.03 2.21 3h37A1 PRO 175 HD2 0.03 -0.01 0.11 -0.04 3.68 3.78 3h37A1 PRO 175 HD3 0.01 0.34 -0.18 -0.04 3.65 3.79 3h37A1 THR 176 H 0.02 0.18 -0.36 -0.55 8.28 7.58 3h37A1 THR 176 HA 0.01 0.11 0.45 -0.75 4.39 4.21 3h37A1 THR 176 HB 0.01 0.04 0.02 -0.04 4.32 4.34 3h37A1 THR 176 HG23 -0.00 -0.01 -0.26 -0.04 1.22 0.91 3h37A1 ARG 177 H 0.06 0.66 -0.40 -0.55 8.46 8.23 3h37A1 ARG 177 HA 0.10 -0.00 0.48 -0.75 4.34 4.16 3h37A1 ARG 177 HB2 0.03 0.23 -0.00 -0.04 1.90 2.11 3h37A1 ARG 177 HB3 -0.05 -0.09 -0.06 -0.04 1.80 1.56 3h37A1 ARG 177 HG2 -0.39 -0.12 -0.03 -0.04 1.67 1.10 3h37A1 ARG 177 HG3 -0.12 -0.03 -0.06 -0.04 1.67 1.43 3h37A1 ARG 177 HD2 -0.27 0.23 -0.09 -0.04 3.22 3.05 3h37A1 ARG 177 HD3 -0.51 -0.08 -0.07 -0.04 3.22 2.52 3h37A1 ILE 178 H 0.14 0.55 -0.33 -0.55 8.25 8.05 3h37A1 ILE 178 HA -0.10 0.01 0.39 -0.75 4.18 3.72 3h37A1 ILE 178 HB -0.06 0.13 0.08 -0.04 1.89 2.00 3h37A1 ILE 178 HG12 -0.61 -0.04 0.01 -0.04 1.49 0.81 3h37A1 ILE 178 HG13 -0.07 -0.11 0.06 -0.04 1.21 1.05 3h37A1 ILE 178 HG23 -0.19 0.00 -0.17 -0.04 0.93 0.53 3h37A1 ILE 178 HD13 -0.11 0.03 -0.03 -0.04 0.88 0.73 3h37A1 LEU 179 H 0.01 0.25 -0.26 -0.55 8.37 7.83 3h37A1 LEU 179 HA -0.03 0.13 0.46 -0.75 4.35 4.15 3h37A1 LEU 179 HB2 -0.03 0.09 0.08 -0.04 1.64 1.74 3h37A1 LEU 179 HB3 -0.05 0.01 -0.11 -0.04 1.64 1.45 3h37A1 LEU 179 HG -0.03 -0.01 -0.04 -0.04 1.64 1.53 3h37A1 LEU 179 HD13 -0.05 -0.00 -0.04 -0.04 0.93 0.79 3h37A1 LEU 179 HD23 -0.02 0.01 -0.12 -0.04 0.89 0.73 3h37A1 ARG 180 H 0.04 0.35 -0.13 -0.55 8.46 8.16 3h37A1 ARG 180 HA -0.26 0.06 0.42 -0.75 4.34 3.79 3h37A1 ARG 180 HB2 0.19 0.03 0.13 -0.04 1.90 2.20 3h37A1 ARG 180 HB3 0.27 -0.04 -0.08 -0.04 1.80 1.92 3h37A1 ARG 180 HG2 -0.18 0.00 -0.01 -0.04 1.67 1.43 3h37A1 ARG 180 HG3 -0.02 0.06 -0.01 -0.04 1.67 1.65 3h37A1 ARG 180 HD2 0.27 -0.05 -0.05 -0.04 3.22 3.35 3h37A1 ARG 180 HD3 0.07 0.01 -0.05 -0.04 3.22 3.20 3h37A1 ALA 181 H 0.31 0.81 -0.15 -0.55 8.40 8.82 3h37A1 ALA 181 HA -0.27 -0.07 0.27 -0.75 4.34 3.52 3h37A1 ALA 181 HB3 0.17 0.03 0.03 -0.04 1.41 1.60 3h37A1 ILE 182 H -0.04 0.39 -0.27 -0.55 8.25 7.78 3h37A1 ILE 182 HA 0.01 -0.02 0.36 -0.75 4.18 3.78 3h37A1 ILE 182 HB -0.02 0.12 0.13 -0.04 1.89 2.07 3h37A1 ILE 182 HG12 0.18 -0.04 0.06 -0.04 1.49 1.65 3h37A1 ILE 182 HG13 -0.08 0.02 0.10 -0.04 1.21 1.20 3h37A1 ILE 182 HG23 0.03 0.01 -0.04 -0.04 0.93 0.89 3h37A1 ILE 182 HD13 0.12 0.00 -0.04 -0.04 0.88 0.92 3h37A1 ARG 183 H -0.16 0.55 -0.20 -0.55 8.46 8.10 3h37A1 ARG 183 HA -0.15 -0.01 0.33 -0.75 4.34 3.75 3h37A1 ARG 183 HB2 -0.22 0.09 0.09 -0.04 1.90 1.81 3h37A1 ARG 183 HB3 -0.56 0.02 0.10 -0.04 1.80 1.32 3h37A1 ARG 183 HG2 -0.30 -0.04 -0.15 -0.04 1.67 1.15 3h37A1 ARG 183 HG3 -0.18 0.02 -0.05 -0.04 1.67 1.42 3h37A1 ARG 183 HD2 -0.15 -0.04 -0.43 -0.04 3.22 2.57 3h37A1 ARG 183 HD3 -0.22 -0.02 -0.11 -0.04 3.22 2.83 3h37A1 PHE 184 H -0.28 0.72 -0.18 -0.55 8.34 8.04 3h37A1 PHE 184 HA -0.23 0.01 0.46 -0.75 4.62 4.11 3h37A1 PHE 184 HB2 -0.23 0.11 0.04 -0.04 3.15 3.04 3h37A1 PHE 184 HB3 0.04 -0.06 -0.06 -0.04 3.06 2.94 3h37A1 PHE 184 HD2 -0.39 -0.01 -0.14 -0.04 7.28 6.70 3h37A1 PHE 184 HE2 0.36 -0.03 -0.10 -0.04 7.38 7.56 3h37A1 PHE 184 HZ 0.17 -0.03 -0.07 -0.04 7.32 7.35 3h37A1 GLU 185 H 0.01 0.49 -0.13 -0.55 8.60 8.43 3h37A1 GLU 185 HA 0.08 -0.01 0.34 -0.75 4.29 3.95 3h37A1 GLU 185 HB2 0.02 0.17 0.19 -0.04 2.09 2.42 3h37A1 GLU 185 HB3 0.05 0.09 0.07 -0.04 1.99 2.16 3h37A1 GLU 185 HG2 0.08 -0.12 -0.18 -0.04 2.34 2.08 3h37A1 GLU 185 HG3 0.03 0.17 -0.04 -0.04 2.34 2.45 3h37A1 GLN 186 H -0.06 0.39 -0.15 -0.55 8.47 8.10 3h37A1 GLN 186 HA -0.05 0.12 0.43 -0.75 4.36 4.10 3h37A1 GLN 186 HB2 -0.10 -0.03 0.00 -0.04 2.15 1.98 3h37A1 GLN 186 HB3 -0.07 -0.06 0.11 -0.04 2.02 1.95 3h37A1 GLN 186 HG2 -0.06 0.20 0.04 -0.04 2.40 2.55 3h37A1 GLN 186 HG3 -0.06 -0.01 -0.03 -0.04 2.39 2.24 3h37A1 GLN 186 HE21 0.02 -0.01 -0.07 -0.04 6.97 6.87 3h37A1 GLN 186 HE22 0.00 0.02 -0.02 -0.04 7.69 7.66 3h37A1 ARG 187 H -0.18 0.28 -0.30 -0.55 8.46 7.71 3h37A1 ARG 187 HA -0.28 -0.01 0.53 -0.75 4.34 3.82 3h37A1 ARG 187 HB2 -0.31 0.02 0.11 -0.04 1.90 1.68 3h37A1 ARG 187 HB3 -0.41 -0.01 0.28 -0.04 1.80 1.63 3h37A1 ARG 187 HG2 -1.18 -0.09 -0.05 -0.04 1.67 0.31 3h37A1 ARG 187 HG3 -1.98 0.07 -0.33 -0.04 1.67 -0.61 3h37A1 ARG 187 HD2 -0.37 0.03 0.02 -0.04 3.22 2.86 3h37A1 ARG 187 HD3 -0.27 -0.03 -0.02 -0.04 3.22 2.87 3h37A1 PHE 188 H -0.37 0.54 0.04 -0.55 8.34 8.00 3h37A1 PHE 188 HA -0.29 0.18 0.70 -0.75 4.62 4.46 3h37A1 PHE 188 HB2 -1.65 -0.03 -0.02 -0.04 3.15 1.41 3h37A1 PHE 188 HB3 -1.35 0.03 0.08 -0.04 3.06 1.77 3h37A1 PHE 188 HD2 -0.29 0.06 -0.05 -0.04 7.28 6.95 3h37A1 PHE 188 HE2 -0.27 -0.04 -0.08 -0.04 7.38 6.95 3h37A1 PHE 188 HZ -0.09 -0.06 -0.08 -0.04 7.32 7.06 3h37A1 ASP 189 H -0.12 0.19 -0.32 -0.55 8.40 7.60 3h37A1 ASP 189 HA 0.02 0.13 0.37 -0.75 4.63 4.40 3h37A1 ASP 189 HB2 0.07 0.21 0.05 -0.04 2.71 3.00 3h37A1 ASP 189 HB3 0.10 -0.08 0.28 -0.04 2.70 2.96 3h37A1 PHE 190 H 0.05 0.04 -0.04 -0.55 8.34 7.84 3h37A1 PHE 190 HA 0.03 0.23 0.75 -0.75 4.62 4.88 3h37A1 PHE 190 HB2 0.07 -0.11 -0.28 -0.04 3.15 2.79 3h37A1 PHE 190 HB3 0.01 0.10 -0.42 -0.04 3.06 2.71 3h37A1 PHE 190 HD2 -0.01 0.03 -0.49 -0.04 7.28 6.78 3h37A1 PHE 190 HE2 -0.16 0.01 -0.03 -0.04 7.38 7.16 3h37A1 PHE 190 HZ -0.16 0.03 0.01 -0.04 7.32 7.16 3h37A1 ARG 191 H 0.13 0.61 0.27 -0.55 8.46 8.92 3h37A1 ARG 191 HA 0.10 0.13 0.82 -0.75 4.34 4.64 3h37A1 ARG 191 HB2 0.07 -0.02 0.09 -0.04 1.90 2.00 3h37A1 ARG 191 HB3 0.07 0.08 -0.14 -0.04 1.80 1.77 3h37A1 ARG 191 HG2 0.05 -0.00 -0.37 -0.04 1.67 1.30 3h37A1 ARG 191 HG3 0.04 -0.03 -0.05 -0.04 1.67 1.59 3h37A1 ARG 191 HD2 0.03 0.05 0.05 -0.04 3.22 3.31 3h37A1 ARG 191 HD3 0.02 0.11 0.27 -0.04 3.22 3.57 3h37A1 ILE 192 H 0.08 0.17 0.12 -0.55 8.25 8.07 3h37A1 ILE 192 HA 0.04 0.09 0.72 -0.75 4.18 4.27 3h37A1 ILE 192 HB 0.07 0.01 0.14 -0.04 1.89 2.06 3h37A1 ILE 192 HG12 0.01 -0.02 -0.03 -0.04 1.49 1.41 3h37A1 ILE 192 HG13 0.01 -0.01 -0.02 -0.04 1.21 1.15 3h37A1 ILE 192 HG23 0.02 0.03 -0.20 -0.04 0.93 0.74 3h37A1 ILE 192 HD13 -0.15 -0.00 -0.08 -0.04 0.88 0.62 3h37A1 GLU 193 H 0.04 0.31 0.28 -0.55 8.60 8.69 3h37A1 GLU 193 HA 0.03 0.19 0.57 -0.75 4.29 4.33 3h37A1 GLU 193 HB2 0.02 -0.03 0.13 -0.04 2.09 2.16 3h37A1 GLU 193 HB3 0.02 0.10 0.09 -0.04 1.99 2.16 3h37A1 GLU 193 HG2 0.03 0.06 -0.04 -0.04 2.34 2.35 3h37A1 GLU 193 HG3 0.04 0.04 0.12 -0.04 2.34 2.51 3h37A1 GLU 194 H 0.03 0.19 0.17 -0.55 8.60 8.44 3h37A1 GLU 194 HA 0.04 0.13 0.16 -0.75 4.29 3.87 3h37A1 GLU 194 HB2 0.03 0.08 0.15 -0.04 2.09 2.31 3h37A1 GLU 194 HB3 0.03 -0.03 0.15 -0.04 1.99 2.10 3h37A1 GLU 194 HG2 0.03 -0.02 -0.18 -0.04 2.34 2.13 3h37A1 GLU 194 HG3 0.03 0.01 0.05 -0.04 2.34 2.39 3h37A1 THR 195 H 0.03 0.13 -0.02 -0.55 8.28 7.87 3h37A1 THR 195 HA 0.03 0.10 0.36 -0.75 4.39 4.13 3h37A1 THR 195 HB 0.03 0.01 0.02 -0.04 4.32 4.33 3h37A1 THR 195 HG23 0.02 0.02 -0.02 -0.04 1.22 1.19 3h37A1 THR 196 H 0.05 0.16 -0.25 -0.55 8.28 7.69 3h37A1 THR 196 HA 0.13 0.07 0.48 -0.75 4.39 4.33 3h37A1 THR 196 HB 0.18 0.03 0.02 -0.04 4.32 4.52 3h37A1 THR 196 HG23 0.07 -0.14 0.12 -0.04 1.22 1.23 3h37A1 GLU 197 H 0.04 0.46 -0.17 -0.55 8.60 8.38 3h37A1 GLU 197 HA -0.10 0.05 0.52 -0.75 4.29 4.01 3h37A1 GLU 197 HB2 0.07 0.09 -0.01 -0.04 2.09 2.20 3h37A1 GLU 197 HB3 0.06 0.10 0.17 -0.04 1.99 2.27 3h37A1 GLU 197 HG2 0.14 -0.01 -0.11 -0.04 2.34 2.32 3h37A1 GLU 197 HG3 0.25 -0.03 0.02 -0.04 2.34 2.54 3h37A1 ARG 198 H 0.03 0.53 0.01 -0.55 8.46 8.48 3h37A1 ARG 198 HA 0.02 0.03 0.37 -0.75 4.34 4.00 3h37A1 ARG 198 HB2 0.03 -0.01 0.11 -0.04 1.90 1.99 3h37A1 ARG 198 HB3 0.03 0.07 0.16 -0.04 1.80 2.02 3h37A1 ARG 198 HG2 0.02 0.06 -0.25 -0.04 1.67 1.46 3h37A1 ARG 198 HG3 0.02 -0.04 -0.03 -0.04 1.67 1.58 3h37A1 ARG 198 HD2 0.02 -0.00 0.00 -0.04 3.22 3.20 3h37A1 ARG 198 HD3 0.02 -0.02 0.01 -0.04 3.22 3.19 3h37A1 LEU 199 H 0.04 0.24 -0.63 -0.55 8.37 7.47 3h37A1 LEU 199 HA 0.03 0.05 0.48 -0.75 4.35 4.15 3h37A1 LEU 199 HB2 0.09 0.25 0.18 -0.04 1.64 2.11 3h37A1 LEU 199 HB3 0.32 0.03 0.08 -0.04 1.64 2.02 3h37A1 LEU 199 HG 0.02 -0.07 0.02 -0.04 1.64 1.57 3h37A1 LEU 199 HD13 0.26 0.03 0.06 -0.04 0.93 1.24 3h37A1 LEU 199 HD23 0.01 0.04 0.10 -0.04 0.89 1.00 3h37A1 LEU 200 H -0.15 0.50 -0.11 -0.55 8.37 8.06 3h37A1 LEU 200 HA -1.03 -0.03 0.53 -0.75 4.35 3.07 3h37A1 LEU 200 HB2 -0.85 -0.03 0.12 -0.04 1.64 0.84 3h37A1 LEU 200 HB3 -0.46 0.12 0.27 -0.04 1.64 1.53 3h37A1 LEU 200 HG -0.74 -0.08 -0.01 -0.04 1.64 0.76 3h37A1 LEU 200 HD13 -0.54 0.01 0.03 -0.04 0.93 0.39 3h37A1 LEU 200 HD23 -0.55 0.02 -0.28 -0.04 0.89 0.04 3h37A1 LYS 201 H -0.15 0.61 0.10 -0.55 8.42 8.43 3h37A1 LYS 201 HA -0.05 0.15 0.44 -0.75 4.32 4.11 3h37A1 LYS 201 HB2 0.00 -0.02 0.11 -0.04 1.87 1.92 3h37A1 LYS 201 HB3 0.02 0.01 0.01 -0.04 1.79 1.79 3h37A1 LYS 201 HG2 0.20 0.08 0.06 -0.04 1.46 1.76 3h37A1 LYS 201 HG3 0.12 0.01 0.04 -0.04 1.46 1.59 3h37A1 LYS 201 HD2 0.07 -0.07 -0.08 -0.04 1.69 1.57 3h37A1 LYS 201 HD3 0.07 0.02 -0.01 -0.04 1.68 1.72 3h37A1 LYS 201 HE2 0.20 0.08 -0.06 -0.04 2.99 3.17 3h37A1 LYS 201 HE3 0.22 -0.07 -0.08 -0.04 2.99 3.03 3h37A1 GLN 202 H -0.05 0.42 -0.33 -0.55 8.47 7.98 3h37A1 GLN 202 HA -0.00 -0.00 0.38 -0.75 4.36 3.98 3h37A1 GLN 202 HB2 0.01 0.08 0.17 -0.04 2.15 2.36 3h37A1 GLN 202 HB3 -0.01 0.10 0.18 -0.04 2.02 2.25 3h37A1 GLN 202 HG2 0.04 -0.01 -0.11 -0.04 2.40 2.28 3h37A1 GLN 202 HG3 0.04 -0.06 -0.06 -0.04 2.39 2.28 3h37A1 GLN 202 HE21 0.03 -0.03 -0.00 -0.04 6.97 6.93 3h37A1 GLN 202 HE22 0.05 -0.00 -0.02 -0.04 7.69 7.67 3h37A1 ALA 203 H -0.07 0.50 -0.04 -0.55 8.40 8.24 3h37A1 ALA 203 HA 0.19 -0.03 0.29 -0.75 4.34 4.04 3h37A1 ALA 203 HB3 -0.10 0.01 0.04 -0.04 1.41 1.32 3h37A1 VAL 204 H -0.13 0.51 -0.66 -0.55 8.24 7.42 3h37A1 VAL 204 HA -0.19 -0.13 0.60 -0.75 4.13 3.67 3h37A1 VAL 204 HB -0.14 0.21 0.24 -0.04 2.12 2.39 3h37A1 VAL 204 HG13 -0.34 0.05 -0.15 -0.04 0.97 0.49 3h37A1 VAL 204 HG23 -0.17 -0.02 -0.07 -0.04 0.95 0.64 3h37A1 GLU 205 H -0.08 0.61 0.22 -0.55 8.60 8.80 3h37A1 GLU 205 HA -0.06 0.09 0.59 -0.75 4.29 4.16 3h37A1 GLU 205 HB2 0.01 -0.02 0.08 -0.04 2.09 2.11 3h37A1 GLU 205 HB3 0.03 -0.06 0.10 -0.04 1.99 2.02 3h37A1 GLU 205 HG2 -0.02 0.37 0.11 -0.04 2.34 2.76 3h37A1 GLU 205 HG3 0.01 -0.11 -0.00 -0.04 2.34 2.20 3h37A1 GLU 206 H 0.02 0.66 -0.05 -0.55 8.60 8.68 3h37A1 GLU 206 HA -0.02 0.04 0.42 -0.75 4.29 3.97 3h37A1 GLU 206 HB2 0.33 -0.02 -0.02 -0.04 2.09 2.34 3h37A1 GLU 206 HB3 0.04 -0.03 0.09 -0.04 1.99 2.05 3h37A1 GLU 206 HG2 0.07 0.33 -0.04 -0.04 2.34 2.67 3h37A1 GLU 206 HG3 0.19 -0.12 -0.29 -0.04 2.34 2.09 3h37A1 GLY 207 H -0.07 0.23 -1.22 -0.55 8.43 6.82 3h37A1 GLY 207 HA2 0.01 0.13 0.29 -0.51 4.01 3.92 3h37A1 GLY 207 HA3 -0.02 0.05 0.29 -0.51 4.01 3.82 3h37A1 TYR 208 H 0.08 0.45 -0.19 -0.55 8.29 8.08 3h37A1 TYR 208 HA -0.00 0.10 0.37 -0.75 4.56 4.27 3h37A1 TYR 208 HB2 -0.04 0.25 0.13 -0.04 3.06 3.36 3h37A1 TYR 208 HB3 -0.00 -0.01 -0.08 -0.04 2.98 2.85 3h37A1 TYR 208 HD2 -0.01 0.02 0.03 -0.04 7.15 7.15 3h37A1 TYR 208 HE2 0.00 -0.02 0.00 -0.04 6.85 6.80 3h37A1 LEU 209 H 0.04 0.24 -0.05 -0.55 8.37 8.04 3h37A1 LEU 209 HA 0.04 -0.03 0.37 -0.75 4.35 3.97 3h37A1 LEU 209 HB2 -0.04 -0.04 0.06 -0.04 1.64 1.58 3h37A1 LEU 209 HB3 -0.02 0.10 0.03 -0.04 1.64 1.71 3h37A1 LEU 209 HG -0.01 -0.08 -0.03 -0.04 1.64 1.47 3h37A1 LEU 209 HD13 -0.05 -0.01 -0.07 -0.04 0.93 0.75 3h37A1 LEU 209 HD23 0.00 0.02 -0.32 -0.04 0.89 0.55 3h37A1 GLU 210 H 0.04 0.15 -0.52 -0.55 8.60 7.72 3h37A1 GLU 210 HA 0.04 0.13 0.48 -0.75 4.29 4.19 3h37A1 GLU 210 HB2 0.02 0.11 0.05 -0.04 2.09 2.23 3h37A1 GLU 210 HB3 0.03 -0.05 0.15 -0.04 1.99 2.08 3h37A1 GLU 210 HG2 0.13 0.13 0.07 -0.04 2.34 2.63 3h37A1 GLU 210 HG3 0.13 -0.10 0.06 -0.04 2.34 2.39 3h37A1 ARG 211 H 0.04 0.49 -0.66 -0.55 8.46 7.78 3h37A1 ARG 211 HA 0.01 0.06 0.52 -0.75 4.34 4.17 3h37A1 ARG 211 HB2 -0.03 0.04 0.15 -0.04 1.90 2.03 3h37A1 ARG 211 HB3 0.09 0.06 0.13 -0.04 1.80 2.04 3h37A1 ARG 211 HG2 0.04 -0.06 0.13 -0.04 1.67 1.73 3h37A1 ARG 211 HG3 -0.01 -0.03 0.11 -0.04 1.67 1.70 3h37A1 ARG 211 HD2 -0.14 0.03 -0.00 -0.04 3.22 3.06 3h37A1 ARG 211 HD3 -0.16 -0.00 0.02 -0.04 3.22 3.04 3h37A1 THR 212 H 0.04 0.33 -0.39 -0.55 8.28 7.71 3h37A1 THR 212 HA 0.04 0.12 0.93 -0.75 4.39 4.72 3h37A1 THR 212 HB 0.04 0.10 0.00 -0.04 4.32 4.43 3h37A1 THR 212 HG23 0.03 -0.05 0.04 -0.04 1.22 1.21 3h37A1 THR 213 H 0.03 0.03 0.15 -0.55 8.28 7.94 3h37A1 THR 213 HA 0.03 0.16 0.32 -0.75 4.39 4.14 3h37A1 THR 213 HB 0.03 0.04 0.16 -0.04 4.32 4.50 3h37A1 THR 213 HG23 0.02 0.02 0.12 -0.04 1.22 1.34 3h37A1 GLY 214 H 0.05 0.19 0.19 -0.55 8.43 8.31 3h37A1 GLY 214 HA2 0.32 0.06 0.27 -0.51 4.01 4.15 3h37A1 GLY 214 HA3 0.16 0.49 0.30 -0.51 4.01 4.45 3h37A1 PRO 215 HA 0.05 0.02 0.39 -0.51 4.44 4.38 3h37A1 PRO 215 HB2 0.03 -0.10 0.10 -0.04 2.28 2.27 3h37A1 PRO 215 HB3 0.03 0.04 0.05 -0.04 2.02 2.10 3h37A1 PRO 215 HG2 0.04 0.05 0.07 -0.04 2.03 2.15 3h37A1 PRO 215 HG3 0.05 0.08 0.08 -0.04 2.03 2.20 3h37A1 PRO 215 HD2 0.05 -0.00 0.06 -0.04 3.68 3.75 3h37A1 PRO 215 HD3 0.07 0.34 0.21 -0.04 3.65 4.23 3h37A1 ARG 216 H 0.03 0.13 -0.14 -0.55 8.46 7.92 3h37A1 ARG 216 HA -0.00 -0.02 0.33 -0.75 4.34 3.90 3h37A1 ARG 216 HB2 0.03 0.14 0.04 -0.04 1.90 2.06 3h37A1 ARG 216 HB3 0.01 -0.01 -0.03 -0.04 1.80 1.73 3h37A1 ARG 216 HG2 0.01 0.03 0.04 -0.04 1.67 1.72 3h37A1 ARG 216 HG3 0.01 -0.02 0.06 -0.04 1.67 1.68 3h37A1 ARG 216 HD2 0.02 -0.06 0.05 -0.04 3.22 3.19 3h37A1 ARG 216 HD3 0.03 -0.01 0.05 -0.04 3.22 3.25 3h37A1 LEU 217 H 0.03 0.48 -0.31 -0.55 8.37 8.02 3h37A1 LEU 217 HA -0.03 -0.06 0.37 -0.75 4.35 3.87 3h37A1 LEU 217 HB2 0.07 0.23 0.13 -0.04 1.64 2.03 3h37A1 LEU 217 HB3 -0.09 -0.06 -0.06 -0.04 1.64 1.38 3h37A1 LEU 217 HG 0.04 0.09 -0.01 -0.04 1.64 1.72 3h37A1 LEU 217 HD13 -0.01 -0.04 -0.03 -0.04 0.93 0.80 3h37A1 LEU 217 HD23 0.06 0.03 -0.12 -0.04 0.89 0.82 3h37A1 ARG 218 H -0.05 0.66 0.06 -0.55 8.46 8.57 3h37A1 ARG 218 HA -0.36 0.01 0.38 -0.75 4.34 3.62 3h37A1 ARG 218 HB2 -0.08 0.07 0.09 -0.04 1.90 1.94 3h37A1 ARG 218 HB3 -0.09 0.05 0.10 -0.04 1.80 1.82 3h37A1 ARG 218 HG2 -0.83 -0.09 0.02 -0.04 1.67 0.73 3h37A1 ARG 218 HG3 -0.40 -0.01 0.02 -0.04 1.67 1.24 3h37A1 ARG 218 HD2 0.11 -0.04 -0.03 -0.04 3.22 3.22 3h37A1 ARG 218 HD3 -0.07 0.04 -0.09 -0.04 3.22 3.05 3h37A1 GLN 219 H -0.09 0.60 -0.17 -0.55 8.47 8.26 3h37A1 GLN 219 HA -0.12 0.00 0.41 -0.75 4.36 3.90 3h37A1 GLN 219 HB2 -0.05 0.06 0.03 -0.04 2.15 2.16 3h37A1 GLN 219 HB3 -0.05 0.04 0.07 -0.04 2.02 2.04 3h37A1 GLN 219 HG2 -0.05 -0.03 -0.04 -0.04 2.40 2.24 3h37A1 GLN 219 HG3 -0.04 -0.02 -0.01 -0.04 2.39 2.29 3h37A1 GLN 219 HE21 -0.01 0.00 -0.04 -0.04 6.97 6.88 3h37A1 GLN 219 HE22 -0.01 -0.01 -0.04 -0.04 7.69 7.59 3h37A1 GLU 220 H -0.08 0.45 -0.05 -0.55 8.60 8.38 3h37A1 GLU 220 HA -0.08 -0.01 0.34 -0.75 4.29 3.79 3h37A1 GLU 220 HB2 -0.06 0.19 0.15 -0.04 2.09 2.33 3h37A1 GLU 220 HB3 -0.06 -0.05 -0.08 -0.04 1.99 1.76 3h37A1 GLU 220 HG2 -0.04 0.06 0.06 -0.04 2.34 2.38 3h37A1 GLU 220 HG3 -0.03 0.04 0.05 -0.04 2.34 2.36 3h37A1 LEU 221 H -0.15 0.43 -0.40 -0.55 8.37 7.70 3h37A1 LEU 221 HA -0.04 0.04 0.44 -0.75 4.35 4.03 3h37A1 LEU 221 HB2 -0.15 0.22 0.13 -0.04 1.64 1.79 3h37A1 LEU 221 HB3 -0.34 -0.00 0.08 -0.04 1.64 1.34 3h37A1 LEU 221 HG 0.25 -0.05 -0.07 -0.04 1.64 1.73 3h37A1 LEU 221 HD13 0.09 -0.01 -0.02 -0.04 0.93 0.95 3h37A1 LEU 221 HD23 0.20 0.01 -0.07 -0.04 0.89 0.98 3h37A1 GLU 222 H -0.27 0.66 0.01 -0.55 8.60 8.46 3h37A1 GLU 222 HA -0.05 -0.06 0.45 -0.75 4.29 3.87 3h37A1 GLU 222 HB2 -0.17 0.18 0.21 -0.04 2.09 2.27 3h37A1 GLU 222 HB3 -0.06 -0.04 0.04 -0.04 1.99 1.89 3h37A1 GLU 222 HG2 0.00 -0.16 0.07 -0.04 2.34 2.21 3h37A1 GLU 222 HG3 -0.50 0.01 0.06 -0.04 2.34 1.87 3h37A1 LYS 223 H -0.09 0.45 -0.35 -0.55 8.42 7.87 3h37A1 LYS 223 HA -0.05 0.03 0.47 -0.75 4.32 4.02 3h37A1 LYS 223 HB2 -0.08 0.08 0.11 -0.04 1.87 1.93 3h37A1 LYS 223 HB3 -0.09 -0.02 -0.09 -0.04 1.79 1.55 3h37A1 LYS 223 HG2 -0.04 -0.01 -0.03 -0.04 1.46 1.33 3h37A1 LYS 223 HG3 -0.05 0.04 -0.06 -0.04 1.46 1.35 3h37A1 LYS 223 HD2 -0.06 -0.02 -0.12 -0.04 1.69 1.45 3h37A1 LYS 223 HD3 -0.04 -0.01 -0.07 -0.04 1.68 1.51 3h37A1 LYS 223 HE2 -0.01 0.00 -0.07 -0.04 2.99 2.87 3h37A1 LYS 223 HE3 -0.03 -0.01 -0.12 -0.04 2.99 2.78 3h37A1 ILE 224 H -0.07 0.69 0.02 -0.55 8.25 8.34 3h37A1 ILE 224 HA -0.10 -0.02 0.46 -0.75 4.18 3.77 3h37A1 ILE 224 HB -0.03 0.12 0.14 -0.04 1.89 2.08 3h37A1 ILE 224 HG12 -0.09 -0.07 0.03 -0.04 1.49 1.32 3h37A1 ILE 224 HG13 -0.08 0.19 0.08 -0.04 1.21 1.35 3h37A1 ILE 224 HG23 -0.04 -0.01 -0.17 -0.04 0.93 0.67 3h37A1 ILE 224 HD13 -0.03 -0.03 -0.06 -0.04 0.88 0.72 3h37A1 LEU 225 H -0.02 0.41 -0.45 -0.55 8.37 7.77 3h37A1 LEU 225 HA -0.00 0.04 0.38 -0.75 4.35 4.02 3h37A1 LEU 225 HB2 0.05 0.06 0.07 -0.04 1.64 1.78 3h37A1 LEU 225 HB3 0.11 -0.10 -0.05 -0.04 1.64 1.56 3h37A1 LEU 225 HG 0.07 0.29 -0.04 -0.04 1.64 1.93 3h37A1 LEU 225 HD13 0.18 -0.05 -0.31 -0.04 0.93 0.70 3h37A1 LEU 225 HD23 0.14 -0.01 -0.14 -0.04 0.89 0.84 3h37A1 GLU 226 H -0.02 0.42 -0.02 -0.55 8.60 8.43 3h37A1 GLU 226 HA 0.00 -0.02 0.54 -0.75 4.29 4.05 3h37A1 GLU 226 HB2 -0.03 0.02 0.19 -0.04 2.09 2.23 3h37A1 GLU 226 HB3 -0.02 -0.05 0.04 -0.04 1.99 1.92 3h37A1 GLU 226 HG2 0.00 -0.05 0.07 -0.04 2.34 2.32 3h37A1 GLU 226 HG3 -0.00 0.07 0.06 -0.04 2.34 2.44 3h37A1 GLU 227 H -0.06 0.21 -0.70 -0.55 8.60 7.51 3h37A1 GLU 227 HA -0.07 0.07 0.41 -0.75 4.29 3.94 3h37A1 GLU 227 HB2 -0.10 0.04 0.05 -0.04 2.09 2.04 3h37A1 GLU 227 HB3 -0.10 0.16 0.08 -0.04 1.99 2.08 3h37A1 GLU 227 HG2 -0.16 0.09 0.02 -0.04 2.34 2.26 3h37A1 GLU 227 HG3 -0.12 -0.99 0.12 -0.04 2.34 1.31 3h37A1 LYS 228 H -0.11 0.08 0.03 -0.55 8.42 7.87 3h37A1 LYS 228 HA -0.07 0.11 0.12 -0.75 4.32 3.73 3h37A1 LYS 228 HB2 -0.10 -0.01 0.12 -0.04 1.87 1.84 3h37A1 LYS 228 HB3 -0.09 0.10 0.10 -0.04 1.79 1.85 3h37A1 LYS 228 HG2 -0.06 -0.06 -0.09 -0.04 1.46 1.21 3h37A1 LYS 228 HG3 -0.05 -0.05 0.05 -0.04 1.46 1.37 3h37A1 LYS 228 HD2 -0.07 0.02 0.06 -0.04 1.69 1.67 3h37A1 LYS 228 HD3 -0.07 0.25 0.08 -0.04 1.68 1.90 3h37A1 LYS 228 HE2 -0.03 0.01 -0.01 -0.04 2.99 2.93 3h37A1 LYS 228 HE3 -0.03 -0.07 -0.02 -0.04 2.99 2.83 3h37A1 ASN 229 H -0.10 0.07 -0.08 -0.55 8.53 7.87 3h37A1 ASN 229 HA -0.13 0.30 1.06 -0.75 4.76 5.24 3h37A1 ASN 229 HB2 -0.07 0.09 -0.05 -0.04 2.88 2.81 3h37A1 ASN 229 HB3 -0.08 -0.10 0.21 -0.04 2.79 2.78 3h37A1 ASN 229 HD21 -0.05 -0.02 0.03 -0.04 7.03 6.96 3h37A1 ASN 229 HD22 -0.06 0.13 -0.02 -0.04 7.74 7.75 3h37A1 PRO 230 HA -0.19 0.09 0.25 -0.51 4.44 4.08 3h37A1 PRO 230 HB2 -1.42 -0.02 -0.01 -0.04 2.28 0.79 3h37A1 PRO 230 HB3 -0.28 0.02 0.03 -0.04 2.02 1.75 3h37A1 PRO 230 HG2 -0.31 0.03 0.04 -0.04 2.03 1.75 3h37A1 PRO 230 HG3 -0.16 0.34 -0.04 -0.04 2.03 2.12 3h37A1 PRO 230 HD2 -0.32 0.03 0.12 -0.04 3.68 3.47 3h37A1 PRO 230 HD3 -0.17 0.38 -0.53 -0.04 3.65 3.29 3h37A1 LEU 231 H -0.51 0.19 -0.13 -0.55 8.37 7.38 3h37A1 LEU 231 HA -0.13 0.10 0.33 -0.75 4.35 3.89 3h37A1 LEU 231 HB2 -0.22 0.01 0.11 -0.04 1.64 1.50 3h37A1 LEU 231 HB3 -0.08 0.00 0.01 -0.04 1.64 1.53 3h37A1 LEU 231 HG 0.18 -0.00 0.06 -0.04 1.64 1.84 3h37A1 LEU 231 HD13 0.05 0.02 0.03 -0.04 0.93 0.99 3h37A1 LEU 231 HD23 0.11 0.02 0.03 -0.04 0.89 1.02 3h37A1 LYS 232 H -0.11 0.09 -0.27 -0.55 8.42 7.57 3h37A1 LYS 232 HA -0.03 0.05 0.37 -0.75 4.32 3.95 3h37A1 LYS 232 HB2 -0.04 -0.02 0.06 -0.04 1.87 1.82 3h37A1 LYS 232 HB3 -0.06 0.12 0.08 -0.04 1.79 1.88 3h37A1 LYS 232 HG2 -0.02 0.01 -0.22 -0.04 1.46 1.19 3h37A1 LYS 232 HG3 -0.02 -0.02 0.02 -0.04 1.46 1.39 3h37A1 LYS 232 HD2 -0.02 -0.01 -0.01 -0.04 1.69 1.61 3h37A1 LYS 232 HD3 -0.03 0.02 -0.02 -0.04 1.68 1.61 3h37A1 LYS 232 HE2 0.00 0.01 -0.07 -0.04 2.99 2.89 3h37A1 LYS 232 HE3 -0.00 -0.03 -0.04 -0.04 2.99 2.88 3h37A1 SER 233 H -0.09 0.52 -0.15 -0.55 8.46 8.19 3h37A1 SER 233 HA -0.02 -0.01 0.45 -0.75 4.49 4.15 3h37A1 SER 233 HB2 -0.08 0.06 0.12 -0.04 3.95 4.01 3h37A1 SER 233 HB3 -0.03 -0.05 -0.11 -0.04 3.93 3.70 3h37A1 ILE 234 H -0.04 0.72 -0.01 -0.55 8.25 8.37 3h37A1 ILE 234 HA 0.04 -0.04 0.36 -0.75 4.18 3.79 3h37A1 ILE 234 HB 0.06 0.12 0.15 -0.04 1.89 2.18 3h37A1 ILE 234 HG12 0.12 -0.07 -0.03 -0.04 1.49 1.47 3h37A1 ILE 234 HG13 0.04 0.01 0.02 -0.04 1.21 1.24 3h37A1 ILE 234 HG23 0.13 -0.01 -0.12 -0.04 0.93 0.89 3h37A1 ILE 234 HD13 0.19 -0.02 -0.11 -0.04 0.88 0.89 3h37A1 ARG 235 H -0.04 0.64 -0.05 -0.55 8.46 8.46 3h37A1 ARG 235 HA -0.23 -0.01 0.40 -0.75 4.34 3.75 3h37A1 ARG 235 HB2 -0.03 0.01 0.12 -0.04 1.90 1.96 3h37A1 ARG 235 HB3 -0.02 -0.09 -0.01 -0.04 1.80 1.64 3h37A1 ARG 235 HG2 0.14 -0.02 0.03 -0.04 1.67 1.79 3h37A1 ARG 235 HG3 0.07 0.15 0.07 -0.04 1.67 1.92 3h37A1 ARG 235 HD2 0.02 -0.07 -0.12 -0.04 3.22 3.01 3h37A1 ARG 235 HD3 0.05 -0.05 -0.03 -0.04 3.22 3.15 3h37A1 ARG 236 H -0.05 0.48 -0.47 -0.55 8.46 7.87 3h37A1 ARG 236 HA -0.16 -0.08 0.34 -0.75 4.34 3.68 3h37A1 ARG 236 HB2 -0.01 0.06 0.15 -0.04 1.90 2.06 3h37A1 ARG 236 HB3 0.03 0.21 0.27 -0.04 1.80 2.27 3h37A1 ARG 236 HG2 0.25 -0.07 0.10 -0.04 1.67 1.91 3h37A1 ARG 236 HG3 0.19 -0.09 0.15 -0.04 1.67 1.87 3h37A1 ARG 236 HD2 0.01 0.06 0.04 -0.04 3.22 3.28 3h37A1 ARG 236 HD3 0.14 -0.04 0.04 -0.04 3.22 3.33 3h37A1 ALA 238 HA -0.10 -0.25 0.43 -0.75 4.34 3.67 3h37A1 ALA 238 HB3 -0.29 0.11 0.12 -0.04 1.41 1.31 3h37A1 GLN 239 H -0.21 0.48 -0.22 -0.55 8.47 7.97 3h37A1 GLN 239 HA -0.12 -0.00 0.42 -0.75 4.36 3.90 3h37A1 GLN 239 HB2 -0.80 0.01 0.08 -0.04 2.15 1.40 3h37A1 GLN 239 HB3 -0.28 -0.09 0.10 -0.04 2.02 1.71 3h37A1 GLN 239 HG2 -0.16 -0.04 0.07 -0.04 2.40 2.23 3h37A1 GLN 239 HG3 -0.27 0.27 0.12 -0.04 2.39 2.46 3h37A1 GLN 239 HE21 -0.14 -0.06 -0.00 -0.04 6.97 6.72 3h37A1 GLN 239 HE22 -0.19 0.09 -0.04 -0.04 7.69 7.51 3h37A1 PHE 240 H -0.23 0.47 0.01 -0.55 8.34 8.04 3h37A1 PHE 240 HA -0.04 0.05 0.46 -0.75 4.62 4.34 3h37A1 PHE 240 HB2 -0.06 0.02 -0.08 -0.04 3.15 2.99 3h37A1 PHE 240 HB3 -0.09 -0.06 0.02 -0.04 3.06 2.89 3h37A1 PHE 240 HD2 -0.05 0.02 -0.00 -0.04 7.28 7.21 3h37A1 PHE 240 HE2 -0.02 -0.04 0.02 -0.04 7.38 7.29 3h37A1 PHE 240 HZ -0.01 -0.04 0.02 -0.04 7.32 7.25 3h37A1 ASP 241 H 0.03 0.60 -0.47 -0.55 8.40 8.01 3h37A1 ASP 241 HA 0.07 0.03 0.33 -0.75 4.63 4.31 3h37A1 ASP 241 HB2 0.08 0.06 -0.21 -0.04 2.71 2.60 3h37A1 ASP 241 HB3 0.08 0.17 0.04 -0.04 2.70 2.96 3h37A1 VAL 242 H 0.06 0.14 -0.17 -0.55 8.24 7.72 3h37A1 VAL 242 HA 0.04 0.25 0.69 -0.75 4.13 4.36 3h37A1 VAL 242 HB -0.02 -0.02 -0.06 -0.04 2.12 1.98 3h37A1 VAL 242 HG13 0.05 0.02 -0.28 -0.04 0.97 0.71 3h37A1 VAL 242 HG23 0.02 0.01 -0.25 -0.04 0.95 0.69 3h37A1 ILE 243 H 0.01 0.12 -0.00 -0.55 8.25 7.82 3h37A1 ILE 243 HA -0.07 0.08 0.37 -0.75 4.18 3.79 3h37A1 ILE 243 HB -0.06 -0.01 0.10 -0.04 1.89 1.89 3h37A1 ILE 243 HG12 -0.04 -0.15 0.15 -0.04 1.49 1.41 3h37A1 ILE 243 HG13 -0.11 0.04 0.14 -0.04 1.21 1.24 3h37A1 ILE 243 HG23 -0.39 0.02 -0.06 -0.04 0.93 0.46 3h37A1 ILE 243 HD13 0.00 0.08 0.03 -0.04 0.88 0.95 3h37A1 LYS 244 H 0.00 0.06 -0.12 -0.55 8.42 7.81 3h37A1 LYS 244 HA -0.13 0.34 0.32 -0.75 4.32 4.08 3h37A1 LYS 244 HB2 -0.04 0.02 -0.04 -0.04 1.87 1.78 3h37A1 LYS 244 HB3 -0.12 0.05 0.11 -0.04 1.79 1.79 3h37A1 LYS 244 HG2 -0.01 0.16 0.17 -0.04 1.46 1.74 3h37A1 LYS 244 HG3 0.02 -0.16 0.13 -0.04 1.46 1.42 3h37A1 LYS 244 HD2 0.12 -0.04 0.07 -0.04 1.69 1.80 3h37A1 LYS 244 HD3 0.08 0.02 0.04 -0.04 1.68 1.78 3h37A1 LYS 244 HE2 0.09 0.05 0.03 -0.04 2.99 3.11 3h37A1 LYS 244 HE3 0.30 -0.03 0.02 -0.04 2.99 3.24 3h37A1 HIS 245 H 0.05 0.07 -1.33 -0.55 8.41 6.66 3h37A1 HIS 245 HA -0.04 0.16 0.67 -0.75 4.63 4.67 3h37A1 HIS 245 HB2 -0.04 0.04 0.01 -0.04 3.26 3.23 3h37A1 HIS 245 HB3 -0.03 -0.12 0.06 -0.04 3.20 3.06 3h37A1 HIS 245 HD2 -0.00 0.33 0.02 -0.04 6.97 7.27 3h37A1 HIS 245 HE1 -0.00 -0.03 0.08 -0.04 7.75 7.76 3h37A1 LEU 246 H -0.15 0.44 -0.07 -0.55 8.37 8.04 3h37A1 LEU 246 HA -0.11 0.15 0.84 -0.75 4.35 4.47 3h37A1 LEU 246 HB2 -0.78 0.03 0.15 -0.04 1.64 1.00 3h37A1 LEU 246 HB3 -0.95 -0.09 -0.01 -0.04 1.64 0.54 3h37A1 LEU 246 HG -0.13 0.10 -0.16 -0.04 1.64 1.40 3h37A1 LEU 246 HD13 -0.13 -0.04 -0.13 -0.04 0.93 0.59 3h37A1 LEU 246 HD23 -0.13 -0.02 -0.05 -0.04 0.89 0.65 3h37A1 PHE 247 H -0.21 0.52 0.06 -0.55 8.34 8.16 3h37A1 PHE 247 HA 0.12 0.18 0.85 -0.75 4.62 5.01 3h37A1 PHE 247 HB2 -0.03 0.03 0.10 -0.04 3.15 3.21 3h37A1 PHE 247 HB3 0.12 -0.04 -0.04 -0.04 3.06 3.06 3h37A1 PHE 247 HD2 0.06 0.06 -0.08 -0.04 7.28 7.28 3h37A1 PHE 247 HE2 0.30 -0.02 -0.09 -0.04 7.38 7.53 3h37A1 PHE 247 HZ 0.15 -0.06 -0.09 -0.04 7.32 7.28 3h37A1 PRO 248 HA -0.10 0.28 0.32 -0.51 4.44 4.43 3h37A1 PRO 248 HB2 -0.01 -0.13 0.11 -0.04 2.28 2.22 3h37A1 PRO 248 HB3 -0.04 0.02 0.06 -0.04 2.02 2.02 3h37A1 PRO 248 HG2 0.03 -0.03 0.04 -0.04 2.03 2.04 3h37A1 PRO 248 HG3 -0.01 0.10 0.01 -0.04 2.03 2.09 3h37A1 PRO 248 HD2 0.19 0.04 0.11 -0.04 3.68 3.98 3h37A1 PRO 248 HD3 0.07 0.33 -0.20 -0.04 3.65 3.81 3h37A1 LYS 249 H -0.06 0.05 -0.15 -0.55 8.42 7.71 3h37A1 LYS 249 HA -0.46 0.15 0.48 -0.75 4.32 3.73 3h37A1 LYS 249 HB2 -0.80 -0.05 0.06 -0.04 1.87 1.04 3h37A1 LYS 249 HB3 -0.36 0.08 0.21 -0.04 1.79 1.68 3h37A1 LYS 249 HG2 -0.13 -0.06 0.06 -0.04 1.46 1.29 3h37A1 LYS 249 HG3 -0.06 0.07 -0.04 -0.04 1.46 1.38 3h37A1 LYS 249 HD2 -0.08 -0.02 -0.02 -0.04 1.69 1.53 3h37A1 LYS 249 HD3 -0.16 -0.06 0.04 -0.04 1.68 1.46 3h37A1 LYS 249 HE2 -0.04 -0.05 0.02 -0.04 2.99 2.88 3h37A1 LYS 249 HE3 -0.02 0.06 -0.02 -0.04 2.99 2.96 3h37A1 THR 250 H -0.15 0.56 -0.46 -0.55 8.28 7.68 3h37A1 THR 250 HA -0.02 0.20 0.97 -0.75 4.39 4.78 3h37A1 THR 250 HB 0.16 -0.03 -0.02 -0.04 4.32 4.39 3h37A1 THR 250 HG23 -0.04 0.13 0.01 -0.04 1.22 1.28 3h37A1 TYR 251 H 0.10 0.25 0.10 -0.55 8.29 8.20 3h37A1 TYR 251 HA 0.04 0.13 0.87 -0.75 4.56 4.85 3h37A1 TYR 251 HB2 0.03 -0.02 0.13 -0.04 3.06 3.16 3h37A1 TYR 251 HB3 0.03 -0.02 -0.03 -0.04 2.98 2.91 3h37A1 TYR 251 HD2 0.01 0.01 -0.02 -0.04 7.15 7.12 3h37A1 TYR 251 HE2 -0.03 -0.01 -0.01 -0.04 6.85 6.76 3h37A1 TYR 252 H 0.21 0.13 0.08 -0.55 8.29 8.16 3h37A1 TYR 252 HA 0.07 0.11 0.37 -0.75 4.56 4.36 3h37A1 TYR 252 HB2 0.01 -0.06 0.11 -0.04 3.06 3.08 3h37A1 TYR 252 HB3 0.05 -0.03 0.22 -0.04 2.98 3.17 3h37A1 TYR 252 HD2 0.10 -0.06 -0.07 -0.04 7.15 7.07 3h37A1 TYR 252 HE2 0.18 -0.05 -0.05 -0.04 6.85 6.88 3h37A1 THR 253 H -0.08 0.31 0.38 -0.55 8.28 8.34 3h37A1 THR 253 HA 0.01 0.13 0.58 -0.75 4.39 4.36 3h37A1 THR 253 HB -0.00 -0.01 0.16 -0.04 4.32 4.43 3h37A1 THR 253 HG23 0.06 0.10 0.07 -0.04 1.22 1.41 3h37A1 PRO 254 HA -0.04 0.14 0.49 -0.51 4.44 4.52 3h37A1 PRO 254 HB2 -0.01 -0.00 -0.01 -0.04 2.28 2.21 3h37A1 PRO 254 HB3 -0.00 0.03 0.11 -0.04 2.02 2.12 3h37A1 PRO 254 HG2 0.00 0.01 0.08 -0.04 2.03 2.08 3h37A1 PRO 254 HG3 0.01 0.07 0.09 -0.04 2.03 2.16 3h37A1 PRO 254 HD2 -0.01 0.05 0.22 -0.04 3.68 3.91 3h37A1 PRO 254 HD3 0.01 0.18 0.22 -0.04 3.65 4.02 3h37A1 SER 255 H -0.05 0.02 -0.41 -0.55 8.46 7.47 3h37A1 SER 255 HA -0.04 0.14 0.56 -0.75 4.49 4.40 3h37A1 SER 255 HB2 0.00 -0.02 0.08 -0.04 3.95 3.98 3h37A1 SER 255 HB3 0.01 0.06 0.11 -0.04 3.93 4.07 3h37A1 ASP 257 HA 0.03 -0.06 0.28 -0.75 4.63 4.12 3h37A1 ASP 257 HB2 -0.08 0.03 0.04 -0.04 2.71 2.66 3h37A1 ASP 257 HB3 -0.01 0.03 -0.03 -0.04 2.70 2.64 3h37A1 GLU 258 H -0.07 0.29 -1.01 -0.55 8.60 7.26 3h37A1 GLU 258 HA -0.01 -0.04 0.47 -0.75 4.29 3.95 3h37A1 GLU 258 HB2 -0.05 0.15 0.14 -0.04 2.09 2.28 3h37A1 GLU 258 HB3 -0.03 -0.07 0.03 -0.04 1.99 1.88 3h37A1 GLU 258 HG2 -0.03 0.65 0.26 -0.04 2.34 3.18 3h37A1 GLU 258 HG3 -0.02 -0.15 0.06 -0.04 2.34 2.19 3h37A1 LYS 259 H -0.10 0.40 0.19 -0.55 8.42 8.36 3h37A1 LYS 259 HA -0.16 0.38 0.42 -0.75 4.32 4.21 3h37A1 LYS 259 HB2 -0.15 -0.00 0.07 -0.04 1.87 1.75 3h37A1 LYS 259 HB3 -0.27 -0.09 0.10 -0.04 1.79 1.49 3h37A1 LYS 259 HG2 -0.40 0.07 -0.01 -0.04 1.46 1.08 3h37A1 LYS 259 HG3 -0.16 0.29 0.13 -0.04 1.46 1.68 3h37A1 LYS 259 HD2 -0.16 0.01 0.00 -0.04 1.69 1.50 3h37A1 LYS 259 HD3 -0.41 -0.05 -0.02 -0.04 1.68 1.16 3h37A1 LYS 259 HE2 -0.18 -0.01 0.00 -0.04 2.99 2.76 3h37A1 LYS 259 HE3 -0.02 -0.03 0.04 -0.04 2.99 2.93 3h37A1 GLU 261 HA 0.14 -0.16 0.36 -0.75 4.29 3.87 3h37A1 GLU 261 HB2 0.06 -0.07 0.11 -0.04 2.09 2.14 3h37A1 GLU 261 HB3 0.03 0.25 0.15 -0.04 1.99 2.38 3h37A1 GLU 261 HG2 0.02 0.07 -0.15 -0.04 2.34 2.24 3h37A1 GLU 261 HG3 0.04 -0.11 -0.27 -0.04 2.34 1.96 3h37A1 ASN 262 H -0.02 0.59 -0.59 -0.55 8.53 7.97 3h37A1 ASN 262 HA 0.00 -0.06 0.63 -0.75 4.76 4.58 3h37A1 ASN 262 HB2 -0.06 0.07 0.16 -0.04 2.88 3.00 3h37A1 ASN 262 HB3 -0.04 0.06 0.15 -0.04 2.79 2.92 3h37A1 ASN 262 HD21 -0.03 -0.18 -0.10 -0.04 7.03 6.68 3h37A1 ASN 262 HD22 -0.05 0.11 -0.24 -0.04 7.74 7.52 3h37A1 LEU 263 H -0.08 0.82 0.48 -0.55 8.37 9.04 3h37A1 LEU 263 HA -0.13 0.08 0.41 -0.75 4.35 3.96 3h37A1 LEU 263 HB2 -0.22 0.12 0.09 -0.04 1.64 1.59 3h37A1 LEU 263 HB3 -0.28 -0.02 -0.10 -0.04 1.64 1.20 3h37A1 LEU 263 HG -0.70 -0.09 -0.34 -0.04 1.64 0.47 3h37A1 LEU 263 HD13 -0.25 -0.03 -0.11 -0.04 0.93 0.50 3h37A1 LEU 263 HD23 -0.43 -0.01 -0.20 -0.04 0.89 0.21 3h37A1 PHE 264 H 0.06 0.25 -0.32 -0.55 8.34 7.79 3h37A1 PHE 264 HA 0.00 0.05 0.46 -0.75 4.62 4.38 3h37A1 PHE 264 HB2 -0.00 0.11 0.05 -0.04 3.15 3.27 3h37A1 PHE 264 HB3 0.00 -0.00 0.02 -0.04 3.06 3.04 3h37A1 PHE 264 HD2 -0.01 0.07 -0.03 -0.04 7.28 7.26 3h37A1 PHE 264 HE2 -0.04 0.04 -0.11 -0.04 7.38 7.23 3h37A1 PHE 264 HZ -0.06 -0.01 -0.13 -0.04 7.32 7.08 3h37A1 ARG 265 H 0.09 0.35 -0.27 -0.55 8.46 8.08 3h37A1 ARG 265 HA 0.09 0.04 0.56 -0.75 4.34 4.27 3h37A1 ARG 265 HB2 0.05 0.01 0.15 -0.04 1.90 2.07 3h37A1 ARG 265 HB3 0.04 0.11 0.22 -0.04 1.80 2.13 3h37A1 ARG 265 HG2 0.02 -0.00 -0.19 -0.04 1.67 1.46 3h37A1 ARG 265 HG3 0.04 -0.06 0.10 -0.04 1.67 1.71 3h37A1 ARG 265 HD2 0.00 -0.10 0.01 -0.04 3.22 3.10 3h37A1 ARG 265 HD3 0.02 -0.03 0.03 -0.04 3.22 3.20 3h37A1 ASN 266 H 0.05 0.27 -0.45 -0.55 8.53 7.85 3h37A1 ASN 266 HA 0.13 0.10 0.81 -0.75 4.76 5.04 3h37A1 ASN 266 HB2 0.02 0.27 0.07 -0.04 2.88 3.20 3h37A1 ASN 266 HB3 0.09 -0.10 0.01 -0.04 2.79 2.74 3h37A1 ASN 266 HD21 -0.05 -0.13 -0.04 -0.04 7.03 6.78 3h37A1 ASN 266 HD22 -0.02 0.59 0.08 -0.04 7.74 8.35 3h37A1 ILE 267 H 0.08 0.27 -0.09 -0.55 8.25 7.97 3h37A1 ILE 267 HA 0.10 -0.02 0.38 -0.75 4.18 3.89 3h37A1 ILE 267 HB 0.12 0.13 0.12 -0.04 1.89 2.22 3h37A1 ILE 267 HG12 -0.04 -0.13 0.00 -0.04 1.49 1.27 3h37A1 ILE 267 HG13 -0.08 0.39 0.12 -0.04 1.21 1.60 3h37A1 ILE 267 HG23 0.08 -0.03 -0.15 -0.04 0.93 0.80 3h37A1 ILE 267 HD13 -0.26 -0.04 -0.12 -0.04 0.88 0.42 3h37A1 PRO 268 HA 0.09 0.03 0.45 -0.51 4.44 4.50 3h37A1 PRO 268 HB2 0.15 0.04 -0.01 -0.04 2.28 2.42 3h37A1 PRO 268 HB3 0.09 0.01 0.03 -0.04 2.02 2.10 3h37A1 PRO 268 HG2 0.10 0.12 0.00 -0.04 2.03 2.21 3h37A1 PRO 268 HG3 0.09 0.02 0.02 -0.04 2.03 2.12 3h37A1 PRO 268 HD2 0.14 0.10 -0.58 -0.04 3.68 3.29 3h37A1 PRO 268 HD3 0.14 0.16 -0.00 -0.04 3.65 3.90 3h37A1 TRP 269 H 0.33 0.29 -0.22 -0.55 7.97 7.82 3h37A1 TRP 269 HA 0.04 0.02 0.33 -0.75 4.62 4.25 3h37A1 TRP 269 HB2 0.05 -0.01 0.08 -0.04 3.23 3.31 3h37A1 TRP 269 HB3 0.07 0.14 0.10 -0.04 3.23 3.50 3h37A1 TRP 269 HD1 0.04 -0.02 -0.01 -0.04 7.22 7.18 3h37A1 TRP 269 HE1 0.03 -0.01 -0.05 -0.04 10.20 10.13 3h37A1 TRP 269 HE3 0.18 0.06 -0.44 -0.04 7.59 7.35 3h37A1 TRP 269 HZ2 0.07 0.04 -0.07 -0.04 7.44 7.43 3h37A1 TRP 269 HZ3 0.45 0.00 -0.11 -0.04 7.13 7.43 3h37A1 TRP 269 HH2 0.29 0.04 -0.03 -0.04 7.19 7.46 3h37A1 VAL 270 H 0.37 0.51 -0.23 -0.55 8.24 8.35 3h37A1 VAL 270 HA 0.38 0.05 0.43 -0.75 4.13 4.23 3h37A1 VAL 270 HB 0.19 0.12 0.13 -0.04 2.12 2.51 3h37A1 VAL 270 HG13 0.18 0.00 -0.19 -0.04 0.97 0.93 3h37A1 VAL 270 HG23 0.38 0.03 -0.13 -0.04 0.95 1.19 3h37A1 GLU 271 H 0.09 0.64 -0.05 -0.55 8.60 8.73 3h37A1 GLU 271 HA 0.02 0.27 0.35 -0.75 4.29 4.18 3h37A1 GLU 271 HB2 0.04 0.14 0.18 -0.04 2.09 2.41 3h37A1 GLU 271 HB3 0.00 -0.07 -0.05 -0.04 1.99 1.84 3h37A1 GLU 271 HG2 0.02 -0.14 -0.11 -0.04 2.34 2.07 3h37A1 GLU 271 HG3 0.04 0.02 -0.02 -0.04 2.34 2.34 3h37A1 GLU 272 H -0.09 0.57 -0.22 -0.55 8.60 8.32 3h37A1 GLU 272 HA -0.13 -0.02 0.42 -0.75 4.29 3.81 3h37A1 GLU 272 HB2 -0.30 0.08 0.08 -0.04 2.09 1.91 3h37A1 GLU 272 HB3 -0.21 -0.06 0.05 -0.04 1.99 1.72 3h37A1 GLU 272 HG2 -0.06 -0.07 0.01 -0.04 2.34 2.18 3h37A1 GLU 272 HG3 -0.03 0.14 0.01 -0.04 2.34 2.41 3h37A1 ASN 273 H -0.38 0.44 -0.43 -0.55 8.53 7.61 3h37A1 ASN 273 HA -0.51 0.17 1.02 -0.75 4.76 4.69 3h37A1 ASN 273 HB2 -1.34 0.11 0.10 -0.04 2.88 1.71 3h37A1 ASN 273 HB3 -1.25 -0.06 0.02 -0.04 2.79 1.46 3h37A1 ASN 273 HD21 -1.07 -0.11 -0.08 -0.04 7.03 5.73 3h37A1 ASN 273 HD22 -2.15 0.44 0.03 -0.04 7.74 6.01 3h37A1 PHE 274 H -0.11 0.55 0.24 -0.55 8.34 8.47 3h37A1 PHE 274 HA -0.07 0.19 0.98 -0.75 4.62 4.96 3h37A1 PHE 274 HB2 -0.03 0.02 0.00 -0.04 3.15 3.10 3h37A1 PHE 274 HB3 -0.02 -0.09 0.03 -0.04 3.06 2.95 3h37A1 PHE 274 HD2 -0.02 -0.01 0.00 -0.04 7.28 7.21 3h37A1 PHE 274 HE2 0.20 0.00 -0.05 -0.04 7.38 7.49 3h37A1 PHE 274 HZ 0.14 0.02 -0.15 -0.04 7.32 7.28 3h37A1 GLY 275 H 0.00 0.21 0.16 -0.55 8.43 8.26 3h37A1 GLY 275 HA2 -0.01 0.06 0.30 -0.51 4.01 3.85 3h37A1 GLY 275 HA3 0.02 0.13 0.91 -0.51 4.01 4.56 3h37A1 GLU 276 H 0.01 0.07 0.13 -0.55 8.60 8.27 3h37A1 GLU 276 HA 0.01 0.08 0.23 -0.75 4.29 3.85 3h37A1 GLU 276 HB2 0.00 0.02 0.14 -0.04 2.09 2.21 3h37A1 GLU 276 HB3 -0.00 -0.06 -0.05 -0.04 1.99 1.84 3h37A1 GLU 276 HG2 0.01 -0.11 0.07 -0.04 2.34 2.27 3h37A1 GLU 276 HG3 0.01 0.06 0.04 -0.04 2.34 2.41 3h37A1 VAL 277 H 0.02 0.20 0.09 -0.55 8.24 7.99 3h37A1 VAL 277 HA -0.01 0.10 0.86 -0.75 4.13 4.32 3h37A1 VAL 277 HB 0.03 0.03 0.08 -0.04 2.12 2.21 3h37A1 VAL 277 HG13 -0.02 -0.04 -0.33 -0.04 0.97 0.54 3h37A1 VAL 277 HG23 0.04 0.06 -0.23 -0.04 0.95 0.78 3h37A1 ASP 278 H -0.04 0.14 0.03 -0.55 8.40 7.99 3h37A1 ASP 278 HA 0.03 0.13 0.62 -0.75 4.63 4.65 3h37A1 ASP 278 HB2 -0.07 0.10 0.11 -0.04 2.71 2.81 3h37A1 ASP 278 HB3 -0.10 -0.05 0.19 -0.04 2.70 2.70 3h37A1 ARG 279 H 0.07 0.31 0.27 -0.55 8.46 8.56 3h37A1 ARG 279 HA -0.01 0.07 0.27 -0.75 4.34 3.92 3h37A1 ARG 279 HB2 0.12 0.01 -0.02 -0.04 1.90 1.97 3h37A1 ARG 279 HB3 0.15 0.07 0.01 -0.04 1.80 1.98 3h37A1 ARG 279 HG2 0.06 0.11 0.09 -0.04 1.67 1.89 3h37A1 ARG 279 HG3 0.07 -0.04 0.13 -0.04 1.67 1.79 3h37A1 ARG 279 HD2 0.10 0.20 -0.04 -0.04 3.22 3.44 3h37A1 ARG 279 HD3 0.21 -0.02 -0.01 -0.04 3.22 3.36 3h37A1 PHE 280 H 0.25 0.10 -0.11 -0.55 8.34 8.03 3h37A1 PHE 280 HA 0.00 0.16 0.30 -0.75 4.62 4.33 3h37A1 PHE 280 HB2 0.06 0.05 0.07 -0.04 3.15 3.29 3h37A1 PHE 280 HB3 0.18 -0.09 0.01 -0.04 3.06 3.13 3h37A1 PHE 280 HD2 0.11 -0.00 -0.04 -0.04 7.28 7.30 3h37A1 PHE 280 HE2 0.08 0.01 -0.05 -0.04 7.38 7.38 3h37A1 PHE 280 HZ -0.08 0.04 -0.03 -0.04 7.32 7.22 3h37A1 TYR 281 H 0.27 0.08 -0.50 -0.55 8.29 7.60 3h37A1 TYR 281 HA -0.30 0.08 0.41 -0.75 4.56 3.99 3h37A1 TYR 281 HB2 -0.08 0.10 0.11 -0.04 3.06 3.15 3h37A1 TYR 281 HB3 -0.16 -0.02 -0.05 -0.04 2.98 2.71 3h37A1 TYR 281 HD2 0.01 -0.04 -0.06 -0.04 7.15 7.01 3h37A1 TYR 281 HE2 0.09 0.00 -0.01 -0.04 6.85 6.89 3h37A1 ALA 282 H -0.07 0.46 0.02 -0.55 8.40 8.26 3h37A1 ALA 282 HA -0.38 -0.01 0.31 -0.75 4.34 3.50 3h37A1 ALA 282 HB3 -0.23 0.02 0.00 -0.04 1.41 1.17 3h37A1 VAL 283 H -0.21 0.51 -0.54 -0.55 8.24 7.45 3h37A1 VAL 283 HA -0.43 0.08 0.49 -0.75 4.13 3.53 3h37A1 VAL 283 HB -0.20 0.11 0.05 -0.04 2.12 2.04 3h37A1 VAL 283 HG13 -0.89 -0.01 -0.13 -0.04 0.97 -0.10 3h37A1 VAL 283 HG23 -0.07 0.01 -0.10 -0.04 0.95 0.75 3h37A1 LEU 284 H -0.36 0.29 -0.14 -0.55 8.37 7.60 3h37A1 LEU 284 HA -0.32 0.04 0.33 -0.75 4.35 3.63 3h37A1 LEU 284 HB2 -0.52 -0.00 0.19 -0.04 1.64 1.27 3h37A1 LEU 284 HB3 -0.44 -0.06 -0.05 -0.04 1.64 1.05 3h37A1 LEU 284 HG -0.73 0.21 0.06 -0.04 1.64 1.13 3h37A1 LEU 284 HD13 -1.48 -0.07 -0.15 -0.04 0.93 -0.81 3h37A1 LEU 284 HD23 -0.61 -0.00 -0.07 -0.04 0.89 0.16 3h37A1 HIS 285 H -0.10 0.61 -0.14 -0.55 8.41 8.24 3h37A1 HIS 285 HA -0.25 -0.04 0.30 -0.75 4.63 3.89 3h37A1 HIS 285 HB2 -0.40 0.16 0.04 -0.04 3.26 3.03 3h37A1 HIS 285 HB3 -1.06 0.06 -0.09 -0.04 3.20 2.07 3h37A1 HIS 285 HD2 -0.14 0.01 -0.12 -0.04 6.97 6.67 3h37A1 HIS 285 HE1 0.01 -0.07 -0.19 -0.04 7.75 7.46 3h37A1 VAL 286 H -0.34 0.30 -0.22 -0.55 8.24 7.43 3h37A1 VAL 286 HA -0.28 0.03 0.37 -0.75 4.13 3.50 3h37A1 VAL 286 HB -0.20 0.09 0.05 -0.04 2.12 2.02 3h37A1 VAL 286 HG13 -0.06 -0.01 -0.10 -0.04 0.97 0.75 3h37A1 VAL 286 HG23 -0.33 0.02 0.04 -0.04 0.95 0.64 3h37A1 PHE 287 H -0.07 0.48 -0.28 -0.55 8.34 7.93 3h37A1 PHE 287 HA -0.03 0.02 0.32 -0.75 4.62 4.17 3h37A1 PHE 287 HB2 -0.28 0.03 0.10 -0.04 3.15 2.96 3h37A1 PHE 287 HB3 -0.35 -0.07 -0.13 -0.04 3.06 2.46 3h37A1 PHE 287 HD2 -0.02 -0.03 -0.16 -0.04 7.28 7.04 3h37A1 PHE 287 HE2 0.35 -0.01 -0.09 -0.04 7.38 7.59 3h37A1 PHE 287 HZ 0.12 0.01 -0.05 -0.04 7.32 7.36 3h37A1 LEU 288 H -0.15 0.93 -0.13 -0.55 8.37 8.47 3h37A1 LEU 288 HA -0.35 0.14 0.48 -0.75 4.35 3.87 3h37A1 LEU 288 HB2 -0.31 0.09 -0.02 -0.04 1.64 1.37 3h37A1 LEU 288 HB3 -0.47 -0.15 0.06 -0.04 1.64 1.05 3h37A1 LEU 288 HG -0.45 -0.00 -0.09 -0.04 1.64 1.06 3h37A1 LEU 288 HD13 -0.14 -0.04 -0.12 -0.04 0.93 0.59 3h37A1 LEU 288 HD23 -0.81 0.02 -0.21 -0.04 0.89 -0.15 3h37A1 GLU 289 H -0.12 0.32 -0.58 -0.55 8.60 7.68 3h37A1 GLU 289 HA -0.29 -0.06 0.51 -0.75 4.29 3.69 3h37A1 GLU 289 HB2 -0.40 0.17 0.06 -0.04 2.09 1.88 3h37A1 GLU 289 HB3 -1.74 -0.06 -0.10 -0.04 1.99 0.05 3h37A1 GLU 289 HG2 -0.28 -0.10 0.01 -0.04 2.34 1.93 3h37A1 GLU 289 HG3 -0.16 0.23 0.02 -0.04 2.34 2.39 3h37A1 PHE 290 H -0.10 0.06 0.12 -0.55 8.34 7.86 3h37A1 PHE 290 HA 0.06 -0.06 0.34 -0.75 4.62 4.20 3h37A1 PHE 290 HB2 0.07 0.24 0.30 -0.04 3.15 3.72 3h37A1 PHE 290 HB3 0.04 -0.08 0.13 -0.04 3.06 3.11 3h37A1 PHE 290 HD2 0.05 0.02 -0.01 -0.04 7.28 7.30 3h37A1 PHE 290 HE2 0.04 0.03 -0.01 -0.04 7.38 7.40 3h37A1 PHE 290 HZ 0.08 0.04 0.00 -0.04 7.32 7.40 3h37A1 TYR 291 H 0.24 0.14 0.00 -0.55 8.29 8.13 3h37A1 TYR 291 HA 0.11 0.18 0.90 -0.75 4.56 4.99 3h37A1 TYR 291 HB2 0.06 0.11 -0.04 -0.04 3.06 3.14 3h37A1 TYR 291 HB3 0.18 -0.13 -0.17 -0.04 2.98 2.81 3h37A1 TYR 291 HD2 0.09 -0.04 -0.74 -0.04 7.15 6.42 3h37A1 TYR 291 HE2 0.03 0.13 -0.19 -0.04 6.85 6.78 3h37A1 ASP 292 H 0.05 0.20 0.13 -0.55 8.40 8.22 3h37A1 ASP 292 HA 0.09 0.13 0.54 -0.75 4.63 4.63 3h37A1 ASP 292 HB2 0.06 -0.22 0.15 -0.04 2.71 2.66 3h37A1 ASP 292 HB3 0.06 0.02 0.12 -0.04 2.70 2.85 3h37A1 ASP 293 H 0.10 0.21 0.18 -0.55 8.40 8.35 3h37A1 ASP 293 HA 0.25 0.10 0.33 -0.75 4.63 4.56 3h37A1 ASP 293 HB2 0.09 -0.04 0.11 -0.04 2.71 2.84 3h37A1 ASP 293 HB3 0.13 0.05 0.01 -0.04 2.70 2.85 3h37A1 GLU 294 H 0.10 0.01 -0.42 -0.55 8.60 7.74 3h37A1 GLU 294 HA 0.06 0.12 0.56 -0.75 4.29 4.28 3h37A1 GLU 294 HB2 0.05 -0.06 0.07 -0.04 2.09 2.11 3h37A1 GLU 294 HB3 0.03 0.08 -0.04 -0.04 1.99 2.02 3h37A1 GLU 294 HG2 0.05 -0.06 -0.01 -0.04 2.34 2.27 3h37A1 GLU 294 HG3 0.03 0.05 0.00 -0.04 2.34 2.38 3h37A1 SER 295 H 0.11 0.01 -0.05 -0.55 8.46 7.99 3h37A1 SER 295 HA 0.10 0.06 0.41 -0.75 4.49 4.31 3h37A1 SER 295 HB2 0.14 -0.03 0.17 -0.04 3.95 4.18 3h37A1 SER 295 HB3 0.05 0.07 0.00 -0.04 3.93 4.01 3h37A1 TRP 296 H 0.43 0.58 -0.30 -0.55 7.97 8.13 3h37A1 TRP 296 HA 0.04 0.07 0.40 -0.75 4.62 4.38 3h37A1 TRP 296 HB2 0.01 0.04 -0.05 -0.04 3.23 3.20 3h37A1 TRP 296 HB3 0.07 0.05 -0.09 -0.04 3.23 3.22 3h37A1 TRP 296 HD1 0.02 0.05 -0.03 -0.04 7.22 7.22 3h37A1 TRP 296 HE1 -0.00 0.04 -0.03 -0.04 10.20 10.17 3h37A1 TRP 296 HE3 -0.21 0.07 -0.06 -0.04 7.59 7.35 3h37A1 TRP 296 HZ2 -0.01 0.08 -0.02 -0.04 7.44 7.45 3h37A1 TRP 296 HZ3 -0.20 0.01 -0.12 -0.04 7.13 6.78 3h37A1 TRP 296 HH2 -0.06 0.15 -0.11 -0.04 7.19 7.13 3h37A1 LYS 297 H 0.06 0.44 -0.21 -0.55 8.42 8.15 3h37A1 LYS 297 HA -0.69 -0.01 0.28 -0.75 4.32 3.15 3h37A1 LYS 297 HB2 0.01 0.13 0.20 -0.04 1.87 2.18 3h37A1 LYS 297 HB3 -0.05 0.05 0.17 -0.04 1.79 1.92 3h37A1 LYS 297 HG2 -0.09 0.00 -0.08 -0.04 1.46 1.25 3h37A1 LYS 297 HG3 -0.14 -0.03 0.07 -0.04 1.46 1.32 3h37A1 LYS 297 HD2 0.01 -0.02 -0.00 -0.04 1.69 1.64 3h37A1 LYS 297 HD3 -0.01 -0.02 -0.01 -0.04 1.68 1.60 3h37A1 LYS 297 HE2 0.05 -0.00 0.02 -0.04 2.99 3.01 3h37A1 LYS 297 HE3 0.09 0.01 0.01 -0.04 2.99 3.06 3h37A1 GLU 298 H -0.09 0.43 -0.28 -0.55 8.60 8.12 3h37A1 GLU 298 HA -0.14 0.08 0.59 -0.75 4.29 4.06 3h37A1 GLU 298 HB2 -0.07 -0.00 0.08 -0.04 2.09 2.05 3h37A1 GLU 298 HB3 -0.05 -0.02 0.08 -0.04 1.99 1.95 3h37A1 GLU 298 HG2 0.02 0.22 0.16 -0.04 2.34 2.69 3h37A1 GLU 298 HG3 -0.02 0.02 -0.08 -0.04 2.34 2.23 3h37A1 VAL 299 H -0.12 0.38 -0.09 -0.55 8.24 7.86 3h37A1 VAL 299 HA -0.19 0.10 0.56 -0.75 4.13 3.84 3h37A1 VAL 299 HB 0.00 0.09 0.17 -0.04 2.12 2.34 3h37A1 VAL 299 HG13 0.08 -0.02 -0.17 -0.04 0.97 0.82 3h37A1 VAL 299 HG23 0.22 0.02 0.06 -0.04 0.95 1.20 3h37A1 ARG 300 H -0.71 0.70 -0.10 -0.55 8.46 7.79 3h37A1 ARG 300 HA -0.40 -0.11 0.42 -0.75 4.34 3.49 3h37A1 ARG 300 HB2 -1.02 -0.04 -0.09 -0.04 1.90 0.70 3h37A1 ARG 300 HB3 -2.67 0.04 -0.02 -0.04 1.80 -0.90 3h37A1 ARG 300 HG2 -0.81 0.05 -0.02 -0.04 1.67 0.85 3h37A1 ARG 300 HG3 -0.41 0.12 -0.64 -0.04 1.67 0.69 3h37A1 ARG 300 HD2 -0.14 0.10 -0.24 -0.04 3.22 2.91 3h37A1 ARG 300 HD3 -0.27 -0.07 -0.11 -0.04 3.22 2.73 3h37A1 ASP 301 H -0.33 0.14 -0.55 -0.55 8.40 7.11 3h37A1 ASP 301 HA -0.14 0.04 0.43 -0.75 4.63 4.21 3h37A1 ASP 301 HB2 -0.18 0.07 0.25 -0.04 2.71 2.81 3h37A1 ASP 301 HB3 -0.11 -0.07 0.01 -0.04 2.70 2.48 3h37A1 ARG 302 H -0.27 0.44 0.02 -0.55 8.46 8.10 3h37A1 ARG 302 HA -0.16 -0.06 0.52 -0.75 4.34 3.89 3h37A1 ARG 302 HB2 -0.33 0.06 0.20 -0.04 1.90 1.79 3h37A1 ARG 302 HB3 -0.89 -0.04 0.22 -0.04 1.80 1.05 3h37A1 ARG 302 HG2 -0.73 0.05 0.01 -0.04 1.67 0.96 3h37A1 ARG 302 HG3 -0.24 -0.15 -0.11 -0.04 1.67 1.13 3h37A1 ARG 302 HD2 -0.11 -0.09 0.08 -0.04 3.22 3.05 3h37A1 ARG 302 HD3 -0.16 0.02 0.06 -0.04 3.22 3.09 3h37A1 TYR 303 H -0.48 0.24 -0.09 -0.55 8.29 7.40 3h37A1 TYR 303 HA 0.08 -0.03 0.44 -0.75 4.56 4.30 3h37A1 TYR 303 HB2 0.14 0.01 0.06 -0.04 3.06 3.23 3h37A1 TYR 303 HB3 0.25 -0.12 0.11 -0.04 2.98 3.17 3h37A1 TYR 303 HD2 0.19 -0.03 -0.04 -0.04 7.15 7.23 3h37A1 TYR 303 HE2 0.36 0.04 -0.04 -0.04 6.85 7.17 3h37A1 SER 304 H 0.27 -0.02 0.01 -0.55 8.46 8.17 3h37A1 SER 304 HA 0.05 0.59 1.02 -0.75 4.49 5.40 3h37A1 SER 304 HB2 0.13 -0.13 0.04 -0.04 3.95 3.96 3h37A1 SER 304 HB3 0.09 -0.04 0.15 -0.04 3.93 4.09 3h37A1 LEU 305 H 0.09 0.15 -0.12 -0.55 8.37 7.95 3h37A1 LEU 305 HA 0.20 -0.12 0.24 -0.75 4.35 3.91 3h37A1 LEU 305 HB2 -0.02 0.04 0.01 -0.04 1.64 1.62 3h37A1 LEU 305 HB3 0.18 -0.07 0.05 -0.04 1.64 1.75 3h37A1 LEU 305 HG -0.02 0.01 -0.07 -0.04 1.64 1.52 3h37A1 LEU 305 HD13 -0.18 -0.04 -0.03 -0.04 0.93 0.64 3h37A1 LEU 305 HD23 0.10 -0.03 -0.07 -0.04 0.89 0.85 3h37A1 ARG 306 H 0.42 -0.02 0.16 -0.55 8.46 8.47 3h37A1 ARG 306 HA 0.18 0.16 0.58 -0.75 4.34 4.51 3h37A1 ARG 306 HB2 0.30 -0.10 0.12 -0.04 1.90 2.18 3h37A1 ARG 306 HB3 0.16 -0.09 0.10 -0.04 1.80 1.94 3h37A1 ARG 306 HG2 0.12 0.08 0.09 -0.04 1.67 1.92 3h37A1 ARG 306 HG3 0.27 0.03 0.12 -0.04 1.67 2.04 3h37A1 ARG 306 HD2 -0.05 0.06 0.03 -0.04 3.22 3.22 3h37A1 ARG 306 HD3 0.03 -0.04 0.04 -0.04 3.22 3.20 3h37A1 ARG 307 H 0.16 0.16 0.19 -0.55 8.46 8.42 3h37A1 ARG 307 HA 0.44 0.20 0.30 -0.75 4.34 4.54 3h37A1 ARG 307 HB2 0.13 0.06 0.14 -0.04 1.90 2.19 3h37A1 ARG 307 HB3 0.14 -0.03 0.05 -0.04 1.80 1.92 3h37A1 ARG 307 HG2 0.21 -0.03 0.03 -0.04 1.67 1.83 3h37A1 ARG 307 HG3 0.20 0.07 0.05 -0.04 1.67 1.95 3h37A1 ARG 307 HD2 0.07 0.05 0.01 -0.04 3.22 3.31 3h37A1 ARG 307 HD3 0.08 -0.03 0.01 -0.04 3.22 3.25 3h37A1 ASN 308 H 0.14 0.03 -0.26 -0.55 8.53 7.90 3h37A1 ASN 308 HA 0.01 0.19 0.48 -0.75 4.76 4.69 3h37A1 ASN 308 HB2 0.03 0.01 -0.10 -0.04 2.88 2.79 3h37A1 ASN 308 HB3 0.01 0.06 0.06 -0.04 2.79 2.89 3h37A1 ASN 308 HD21 0.05 0.04 0.00 -0.04 7.03 7.07 3h37A1 ASN 308 HD22 0.03 0.05 -0.01 -0.04 7.74 7.77 3h37A1 LEU 309 H 0.11 0.30 -0.37 -0.55 8.37 7.87 3h37A1 LEU 309 HA -0.02 -0.00 0.27 -0.75 4.35 3.84 3h37A1 LEU 309 HB2 0.22 -0.07 0.06 -0.04 1.64 1.81 3h37A1 LEU 309 HB3 0.10 0.22 0.03 -0.04 1.64 1.94 3h37A1 LEU 309 HG -0.30 0.04 -0.44 -0.04 1.64 0.90 3h37A1 LEU 309 HD13 0.16 -0.02 -0.05 -0.04 0.93 0.98 3h37A1 LEU 309 HD23 -0.21 0.02 -0.11 -0.04 0.89 0.54 3h37A1 ILE 310 H -1.01 0.24 -0.33 -0.55 8.25 6.60 3h37A1 ILE 310 HA -0.86 0.11 0.32 -0.75 4.18 2.99 3h37A1 ILE 310 HB -3.80 0.04 0.01 -0.04 1.89 -1.90 3h37A1 ILE 310 HG12 -0.96 -0.01 -0.06 -0.04 1.49 0.42 3h37A1 ILE 310 HG13 -0.53 -0.01 -0.17 -0.04 1.21 0.46 3h37A1 ILE 310 HG23 -0.65 0.04 -0.06 -0.04 0.93 0.21 3h37A1 ILE 310 HD13 -0.42 0.01 0.05 -0.04 0.88 0.48 3h37A1 ASN 311 H -0.30 0.28 -0.31 -0.55 8.53 7.65 3h37A1 ASN 311 HA -0.17 0.09 0.60 -0.75 4.76 4.53 3h37A1 ASN 311 HB2 -0.10 0.13 0.14 -0.04 2.88 3.01 3h37A1 ASN 311 HB3 -0.07 -0.00 -0.00 -0.04 2.79 2.68 3h37A1 ASN 311 HD21 -0.03 0.01 0.01 -0.04 7.03 6.97 3h37A1 ASN 311 HD22 -0.04 -0.01 0.06 -0.04 7.74 7.70 3h37A1 GLU 312 H -0.15 0.33 -0.03 -0.55 8.60 8.21 3h37A1 GLU 312 HA -0.07 0.04 0.46 -0.75 4.29 3.96 3h37A1 GLU 312 HB2 -0.08 0.07 0.09 -0.04 2.09 2.12 3h37A1 GLU 312 HB3 -0.01 -0.07 0.06 -0.04 1.99 1.93 3h37A1 GLU 312 HG2 -0.04 0.01 0.01 -0.04 2.34 2.28 3h37A1 GLU 312 HG3 -0.05 0.11 -0.06 -0.04 2.34 2.30 3h37A1 ILE 313 H -0.34 0.72 -0.07 -0.55 8.25 8.01 3h37A1 ILE 313 HA -0.43 -0.01 0.37 -0.75 4.18 3.35 3h37A1 ILE 313 HB -0.32 0.10 0.03 -0.04 1.89 1.66 3h37A1 ILE 313 HG12 -0.74 -0.14 -0.07 -0.04 1.49 0.50 3h37A1 ILE 313 HG13 -0.43 0.30 -0.12 -0.04 1.21 0.92 3h37A1 ILE 313 HG23 -0.18 0.00 -0.13 -0.04 0.93 0.58 3h37A1 ILE 313 HD13 -0.33 0.02 -0.21 -0.04 0.88 0.33 3h37A1 ARG 314 H -0.21 0.31 -0.42 -0.55 8.46 7.59 3h37A1 ARG 314 HA -0.10 -0.03 0.33 -0.75 4.34 3.79 3h37A1 ARG 314 HB2 -0.08 0.12 0.18 -0.04 1.90 2.08 3h37A1 ARG 314 HB3 -0.06 -0.08 0.07 -0.04 1.80 1.69 3h37A1 ARG 314 HG2 -0.20 0.70 0.42 -0.04 1.67 2.54 3h37A1 ARG 314 HG3 -0.14 -0.17 0.11 -0.04 1.67 1.43 3h37A1 ARG 314 HD2 -0.04 -0.05 0.04 -0.04 3.22 3.13 3h37A1 ARG 314 HD3 -0.09 -0.04 0.06 -0.04 3.22 3.11 3h37A1 HIS 315 H -0.02 0.52 -0.02 -0.55 8.41 8.35 3h37A1 HIS 315 HA -0.06 -0.02 0.33 -0.75 4.63 4.12 3h37A1 HIS 315 HB2 -0.06 -0.04 0.13 -0.04 3.26 3.26 3h37A1 HIS 315 HB3 -0.11 0.04 0.20 -0.04 3.20 3.30 3h37A1 HIS 315 HD2 0.10 -0.03 -0.21 -0.04 6.97 6.79 3h37A1 HIS 315 HE1 0.05 0.09 0.02 -0.04 7.75 7.87 3h37A1 VAL 316 H -0.18 0.32 -0.06 -0.55 8.24 7.78 3h37A1 VAL 316 HA -0.53 0.03 0.44 -0.75 4.13 3.32 3h37A1 VAL 316 HB -1.00 0.04 -0.16 -0.04 2.12 0.96 3h37A1 VAL 316 HG13 -1.55 -0.01 0.02 -0.04 0.97 -0.62 3h37A1 VAL 316 HG23 -0.66 0.06 0.10 -0.04 0.95 0.41 3h37A1 GLU 317 H -0.33 0.57 -0.08 -0.55 8.60 8.21 3h37A1 GLU 317 HA -0.09 -0.02 0.37 -0.75 4.29 3.80 3h37A1 GLU 317 HB2 -0.13 0.21 0.10 -0.04 2.09 2.22 3h37A1 GLU 317 HB3 -0.07 0.12 0.20 -0.04 1.99 2.21 3h37A1 GLU 317 HG2 0.25 -0.00 -0.08 -0.04 2.34 2.47 3h37A1 GLU 317 HG3 0.01 -0.00 0.05 -0.04 2.34 2.36 3h37A1 LYS 318 H -0.13 0.58 -0.30 -0.55 8.42 8.02 3h37A1 LYS 318 HA -0.05 0.07 0.66 -0.75 4.32 4.25 3h37A1 LYS 318 HB2 -0.11 0.10 0.11 -0.04 1.87 1.92 3h37A1 LYS 318 HB3 -0.07 -0.07 0.02 -0.04 1.79 1.63 3h37A1 LYS 318 HG2 -0.02 -0.05 -0.01 -0.04 1.46 1.34 3h37A1 LYS 318 HG3 -0.03 0.02 -0.03 -0.04 1.46 1.38 3h37A1 LYS 318 HD2 -0.06 0.03 -0.10 -0.04 1.69 1.52 3h37A1 LYS 318 HD3 -0.04 -0.04 -0.03 -0.04 1.68 1.54 3h37A1 LYS 318 HE2 -0.01 -0.03 -0.02 -0.04 2.99 2.90 3h37A1 LYS 318 HE3 -0.02 -0.01 -0.01 -0.04 2.99 2.91 3h37A1 SER 319 H -0.16 0.68 0.18 -0.55 8.46 8.61 3h37A1 SER 319 HA -0.05 -0.02 0.45 -0.75 4.49 4.11 3h37A1 SER 319 HB2 0.22 0.02 0.09 -0.04 3.95 4.24 3h37A1 SER 319 HB3 0.12 -0.07 0.08 -0.04 3.93 4.02 3h37A1 ALA 320 H -0.16 0.46 -0.46 -0.55 8.40 7.70 3h37A1 ALA 320 HA -0.10 -0.03 0.24 -0.75 4.34 3.69 3h37A1 ALA 320 HB3 -0.69 0.03 0.05 -0.04 1.41 0.76 3h37A1 PRO 321 HA -0.06 0.02 0.37 -0.51 4.44 4.27 3h37A1 PRO 321 HB2 -0.04 0.03 0.02 -0.04 2.28 2.25 3h37A1 PRO 321 HB3 -0.04 -0.02 0.08 -0.04 2.02 2.00 3h37A1 PRO 321 HG2 -0.05 0.04 0.09 -0.04 2.03 2.07 3h37A1 PRO 321 HG3 -0.07 0.00 0.08 -0.04 2.03 2.01 3h37A1 PRO 321 HD2 -0.08 0.45 -0.10 -0.04 3.68 3.91 3h37A1 PRO 321 HD3 -0.15 0.15 0.09 -0.04 3.65 3.69 3h37A1 ALA 322 H -0.03 0.24 -0.27 -0.55 8.40 7.80 3h37A1 ALA 322 HA 0.00 -0.02 0.43 -0.75 4.34 4.00 3h37A1 ALA 322 HB3 0.01 0.02 0.08 -0.04 1.41 1.48 3h37A1 LEU 323 H 0.02 0.65 -0.08 -0.55 8.37 8.41 3h37A1 LEU 323 HA 0.04 0.02 0.36 -0.75 4.35 4.02 3h37A1 LEU 323 HB2 0.08 -0.01 0.00 -0.04 1.64 1.67 3h37A1 LEU 323 HB3 0.05 0.06 0.07 -0.04 1.64 1.77 3h37A1 LEU 323 HG -0.14 -0.06 -0.06 -0.04 1.64 1.33 3h37A1 LEU 323 HD13 0.09 -0.01 -0.20 -0.04 0.93 0.77 3h37A1 LEU 323 HD23 0.10 0.01 0.01 -0.04 0.89 0.97 3h37A1 LEU 324 H -0.02 0.59 -0.02 -0.55 8.37 8.37 3h37A1 LEU 324 HA -0.01 -0.06 0.46 -0.75 4.35 3.99 3h37A1 LEU 324 HB2 -0.02 0.10 0.12 -0.04 1.64 1.80 3h37A1 LEU 324 HB3 -0.01 -0.12 0.01 -0.04 1.64 1.48 3h37A1 LEU 324 HG -0.06 0.29 0.03 -0.04 1.64 1.86 3h37A1 LEU 324 HD13 -0.03 -0.04 -0.07 -0.04 0.93 0.75 3h37A1 LEU 324 HD23 0.01 -0.02 -0.06 -0.04 0.89 0.77 3h37A1 GLU 325 H -0.01 0.51 -0.23 -0.55 8.60 8.32 3h37A1 GLU 325 HA -0.02 -0.11 0.22 -0.75 4.29 3.63 3h37A1 GLU 325 HB2 0.00 0.20 0.19 -0.04 2.09 2.43 3h37A1 GLU 325 HB3 -0.01 -0.10 0.09 -0.04 1.99 1.93 3h37A1 GLU 325 HG2 -0.01 -0.11 0.01 -0.04 2.34 2.19 3h37A1 GLU 325 HG3 -0.01 0.21 0.05 -0.04 2.34 2.55 3h37A1 LEU 327 HA -0.11 -0.16 0.30 -0.75 4.35 3.63 3h37A1 LEU 327 HB2 -0.01 0.05 0.19 -0.04 1.64 1.82 3h37A1 LEU 327 HB3 -0.04 -0.19 0.00 -0.04 1.64 1.37 3h37A1 LEU 327 HG 0.06 0.23 0.06 -0.04 1.64 1.94 3h37A1 LEU 327 HD13 0.09 -0.04 -0.10 -0.04 0.93 0.84 3h37A1 LEU 327 HD23 -0.12 -0.03 0.02 -0.04 0.89 0.72 3h37A1 SER 328 H -0.03 0.36 -0.01 -0.55 8.46 8.24 3h37A1 SER 328 HA -0.03 -0.09 0.65 -0.75 4.49 4.27 3h37A1 SER 328 HB2 -0.02 -0.09 0.12 -0.04 3.95 3.91 3h37A1 SER 328 HB3 -0.02 0.21 0.03 -0.04 3.93 4.11 3h37A1 GLU 329 H -0.03 0.02 0.10 -0.55 8.60 8.14 3h37A1 GLU 329 HA -0.04 -0.11 0.33 -0.75 4.29 3.71 3h37A1 GLU 329 HB2 -0.04 -0.14 -0.29 -0.04 2.09 1.59 3h37A1 GLU 329 HB3 -0.05 0.70 0.28 -0.04 1.99 2.88 3h37A1 GLU 329 HG2 -0.11 -0.07 -0.00 -0.04 2.34 2.12 3h37A1 GLU 329 HG3 -0.07 -0.13 0.08 -0.04 2.34 2.18 3h37A1 ARG 330 H -0.05 0.31 -1.17 -0.55 8.46 7.00 3h37A1 ARG 330 HA -0.07 0.12 0.25 -0.75 4.34 3.88 3h37A1 ARG 330 HB2 -0.04 -0.07 -0.02 -0.04 1.90 1.73 3h37A1 ARG 330 HB3 -0.02 -0.03 -0.10 -0.04 1.80 1.62 3h37A1 ARG 330 HG2 0.02 -0.04 0.06 -0.04 1.67 1.66 3h37A1 ARG 330 HG3 -0.03 0.07 0.03 -0.04 1.67 1.70 3h37A1 ARG 330 HD2 -0.04 0.03 0.02 -0.04 3.22 3.19 3h37A1 ARG 330 HD3 -0.01 -0.07 -0.00 -0.04 3.22 3.10 3h37A1 VAL 331 H -0.05 0.14 -0.35 -0.55 8.24 7.42 3h37A1 VAL 331 HA -0.13 0.05 0.32 -0.75 4.13 3.61 3h37A1 VAL 331 HB -0.52 -0.05 0.04 -0.04 2.12 1.56 3h37A1 VAL 331 HG13 -0.25 0.01 -0.11 -0.04 0.97 0.59 3h37A1 VAL 331 HG23 0.07 0.01 -0.22 -0.04 0.95 0.78 3h37A1 PRO 332 HA 0.05 0.12 0.51 -0.51 4.44 4.61 3h37A1 PRO 332 HB2 0.09 -0.08 0.02 -0.04 2.28 2.27 3h37A1 PRO 332 HB3 0.04 0.08 0.15 -0.04 2.02 2.24 3h37A1 PRO 332 HG2 0.33 -0.05 0.06 -0.04 2.03 2.33 3h37A1 PRO 332 HG3 0.10 0.05 0.08 -0.04 2.03 2.21 3h37A1 PRO 332 HD2 -0.35 0.08 0.21 -0.04 3.68 3.58 3h37A1 PRO 332 HD3 -0.08 0.16 0.18 -0.04 3.65 3.87 3h37A1 ALA 333 H -0.11 0.21 0.19 -0.55 8.40 8.14 3h37A1 ALA 333 HA -0.40 0.07 0.20 -0.75 4.34 3.45 3h37A1 ALA 333 HB3 -0.36 0.09 0.13 -0.04 1.41 1.23 3h37A1 SER 334 H 0.03 0.05 -0.53 -0.55 8.46 7.47 3h37A1 SER 334 HA -0.02 0.08 0.24 -0.75 4.49 4.04 3h37A1 SER 334 HB2 -0.05 0.01 -0.07 -0.04 3.95 3.80 3h37A1 SER 334 HB3 -0.03 0.06 -0.11 -0.04 3.93 3.80 3h37A1 PHE 335 H 0.31 0.60 -0.38 -0.55 8.34 8.32 3h37A1 PHE 335 HA 0.03 0.05 0.43 -0.75 4.62 4.38 3h37A1 PHE 335 HB2 0.05 0.26 -0.01 -0.04 3.15 3.41 3h37A1 PHE 335 HB3 0.04 0.02 -0.16 -0.04 3.06 2.92 3h37A1 PHE 335 HD2 0.02 -0.01 -0.06 -0.04 7.28 7.19 3h37A1 PHE 335 HE2 0.01 -0.03 -0.03 -0.04 7.38 7.29 3h37A1 PHE 335 HZ 0.01 -0.04 -0.02 -0.04 7.32 7.22 3h37A1 VAL 336 H 0.17 0.29 -0.18 -0.55 8.24 7.97 3h37A1 VAL 336 HA 0.09 0.09 0.40 -0.75 4.13 3.96 3h37A1 VAL 336 HB -0.03 -0.05 -0.13 -0.04 2.12 1.87 3h37A1 VAL 336 HG13 0.10 0.00 -0.06 -0.04 0.97 0.98 3h37A1 VAL 336 HG23 0.17 0.03 0.02 -0.04 0.95 1.14 3h37A1 TYR 337 H 0.16 0.30 -0.28 -0.55 8.29 7.91 3h37A1 TYR 337 HA -0.04 0.02 0.17 -0.75 4.56 3.96 3h37A1 TYR 337 HB2 -0.04 0.08 0.03 -0.04 3.06 3.08 3h37A1 TYR 337 HB3 -0.03 0.15 0.00 -0.04 2.98 3.06 3h37A1 TYR 337 HD2 -0.03 0.04 -0.20 -0.04 7.15 6.93 3h37A1 TYR 337 HE2 -0.01 0.00 -0.04 -0.04 6.85 6.76 3h37A1 PRO 338 HA 0.10 -0.02 0.38 -0.51 4.44 4.39 3h37A1 PRO 338 HB2 0.08 -0.00 -0.09 -0.04 2.28 2.22 3h37A1 PRO 338 HB3 0.09 -0.04 0.05 -0.04 2.02 2.08 3h37A1 PRO 338 HG2 0.06 0.19 -0.07 -0.04 2.03 2.16 3h37A1 PRO 338 HG3 -0.00 0.01 -0.00 -0.04 2.03 1.99 3h37A1 PRO 338 HD2 0.13 0.08 -0.49 -0.04 3.68 3.37 3h37A1 PRO 338 HD3 0.19 0.10 -0.02 -0.04 3.65 3.88 3h37A1 LEU 339 H 0.05 0.63 -0.38 -0.55 8.37 8.12 3h37A1 LEU 339 HA 0.44 0.01 0.44 -0.75 4.35 4.48 3h37A1 LEU 339 HB2 -0.05 0.22 0.07 -0.04 1.64 1.84 3h37A1 LEU 339 HB3 0.09 -0.10 0.01 -0.04 1.64 1.61 3h37A1 LEU 339 HG 0.10 -0.08 -0.04 -0.04 1.64 1.57 3h37A1 LEU 339 HD13 0.07 -0.05 0.02 -0.04 0.93 0.92 3h37A1 LEU 339 HD23 0.05 -0.01 -0.05 -0.04 0.89 0.84 3h37A1 VAL 340 H -0.11 0.48 -0.26 -0.55 8.24 7.81 3h37A1 VAL 340 HA 0.00 0.09 0.83 -0.75 4.13 4.30 3h37A1 VAL 340 HB -0.11 -0.04 0.09 -0.04 2.12 2.01 3h37A1 VAL 340 HG13 -0.18 -0.00 -0.21 -0.04 0.97 0.53 3h37A1 VAL 340 HG23 -0.20 0.04 -0.18 -0.04 0.95 0.57 3h37A1 LYS 341 H -0.18 0.20 -0.25 -0.55 8.42 7.64 3h37A1 LYS 341 HA -0.55 0.17 0.25 -0.75 4.32 3.44 3h37A1 LYS 341 HB2 -0.38 0.10 0.02 -0.04 1.87 1.57 3h37A1 LYS 341 HB3 -0.14 -0.05 0.11 -0.04 1.79 1.67 3h37A1 LYS 341 HG2 -0.07 -0.05 -0.30 -0.04 1.46 1.00 3h37A1 LYS 341 HG3 -0.14 0.04 -0.10 -0.04 1.46 1.22 3h37A1 LYS 341 HD2 0.22 0.03 -0.06 -0.04 1.69 1.84 3h37A1 LYS 341 HD3 0.03 -0.02 -0.03 -0.04 1.68 1.62 3h37A1 LYS 341 HE2 0.04 -0.04 -0.08 -0.04 2.99 2.87 3h37A1 LYS 341 HE3 0.12 0.02 -0.07 -0.04 2.99 3.02 3h37A1 GLY 342 H -0.12 0.05 -0.09 -0.55 8.43 7.73 3h37A1 GLY 342 HA2 -0.07 0.30 0.76 -0.51 4.01 4.49 3h37A1 GLY 342 HA3 -0.05 -0.06 0.34 -0.51 4.01 3.72 3h37A1 VAL 343 H -0.10 0.26 -0.36 -0.55 8.24 7.49 3h37A1 VAL 343 HA -0.07 0.01 0.35 -0.75 4.13 3.67 3h37A1 VAL 343 HB -0.03 -0.12 0.05 -0.04 2.12 1.99 3h37A1 VAL 343 HG13 -0.19 0.02 -0.07 -0.04 0.97 0.68 3h37A1 VAL 343 HG23 -0.02 0.08 -0.18 -0.04 0.95 0.78 3h37A1 SER 344 H -0.01 0.02 0.14 -0.55 8.46 8.06 3h37A1 SER 344 HA -0.04 0.23 0.53 -0.75 4.49 4.46 3h37A1 SER 344 HB2 -0.03 0.01 0.14 -0.04 3.95 4.02 3h37A1 SER 344 HB3 -0.00 0.09 0.13 -0.04 3.93 4.10 3h37A1 ASN 345 H -0.04 0.22 0.14 -0.55 8.53 8.30 3h37A1 ASN 345 HA -0.06 0.17 0.41 -0.75 4.76 4.53 3h37A1 ASN 345 HB2 -0.02 -0.09 0.10 -0.04 2.88 2.83 3h37A1 ASN 345 HB3 0.02 0.07 -0.06 -0.04 2.79 2.79 3h37A1 ASN 345 HD21 0.13 0.23 -0.41 -0.04 7.03 6.94 3h37A1 ASN 345 HD22 0.09 0.15 -0.36 -0.04 7.74 7.58 3h37A1 GLU 346 H -0.08 0.04 -0.16 -0.55 8.60 7.86 3h37A1 GLU 346 HA -0.18 0.13 0.40 -0.75 4.29 3.89 3h37A1 GLU 346 HB2 -0.18 -0.06 -0.01 -0.04 2.09 1.80 3h37A1 GLU 346 HB3 -0.54 0.06 -0.14 -0.04 1.99 1.32 3h37A1 GLU 346 HG2 -0.03 -0.02 0.01 -0.04 2.34 2.26 3h37A1 GLU 346 HG3 -0.09 0.14 0.03 -0.04 2.34 2.38 3h37A1 THR 347 H -0.02 0.05 -0.34 -0.55 8.28 7.42 3h37A1 THR 347 HA 0.22 0.05 0.36 -0.75 4.39 4.26 3h37A1 THR 347 HB 0.07 0.07 0.04 -0.04 4.32 4.46 3h37A1 THR 347 HG23 0.25 -0.04 0.00 -0.04 1.22 1.40 3h37A1 ILE 348 H 0.04 0.50 -0.14 -0.55 8.25 8.10 3h37A1 ILE 348 HA 0.32 0.06 0.47 -0.75 4.18 4.27 3h37A1 ILE 348 HB -0.01 0.06 0.06 -0.04 1.89 1.97 3h37A1 ILE 348 HG12 0.01 -0.01 -0.04 -0.04 1.49 1.42 3h37A1 ILE 348 HG13 -0.09 0.06 -0.16 -0.04 1.21 0.98 3h37A1 ILE 348 HG23 0.15 0.00 -0.15 -0.04 0.93 0.89 3h37A1 ILE 348 HD13 -0.66 0.01 -0.07 -0.04 0.88 0.12 3h37A1 CYS 349 H 0.02 0.39 -0.45 -0.55 8.50 7.91 3h37A1 CYS 349 HA 0.05 0.07 0.58 -0.75 4.58 4.54 3h37A1 CYS 349 HB2 -0.11 0.15 0.24 -0.04 2.97 3.21 3h37A1 CYS 349 HB3 -0.11 -0.02 -0.01 -0.04 2.97 2.78 3h37A1 HIS 350 H 0.06 0.41 0.05 -0.55 8.41 8.38 3h37A1 HIS 350 HA -0.07 0.03 0.32 -0.75 4.63 4.15 3h37A1 HIS 350 HB2 0.29 -0.07 0.09 -0.04 3.26 3.53 3h37A1 HIS 350 HB3 -0.07 0.10 0.12 -0.04 3.20 3.30 3h37A1 HIS 350 HD2 -0.03 0.02 -0.04 -0.04 6.97 6.88 3h37A1 HIS 350 HE1 -0.21 0.08 -0.10 -0.04 7.75 7.47 3h37A1 PHE 351 H 0.12 0.58 -0.15 -0.55 8.34 8.33 3h37A1 PHE 351 HA 0.06 0.03 0.40 -0.75 4.62 4.35 3h37A1 PHE 351 HB2 -0.04 0.09 0.07 -0.04 3.15 3.23 3h37A1 PHE 351 HB3 -0.58 -0.01 -0.11 -0.04 3.06 2.32 3h37A1 PHE 351 HD2 0.04 0.00 -0.06 -0.04 7.28 7.22 3h37A1 PHE 351 HE2 0.06 0.05 -0.10 -0.04 7.38 7.36 3h37A1 PHE 351 HZ 0.23 0.01 -0.05 -0.04 7.32 7.47 3h37A1 LEU 352 H 0.05 0.35 -0.37 -0.55 8.37 7.85 3h37A1 LEU 352 HA -0.18 -0.07 0.31 -0.75 4.35 3.65 3h37A1 LEU 352 HB2 0.02 0.14 0.14 -0.04 1.64 1.90 3h37A1 LEU 352 HB3 -0.04 -0.01 0.03 -0.04 1.64 1.58 3h37A1 LEU 352 HG -0.06 0.03 -0.00 -0.04 1.64 1.56 3h37A1 LEU 352 HD13 0.11 -0.00 -0.07 -0.04 0.93 0.93 3h37A1 LEU 352 HD23 -0.16 -0.03 -0.05 -0.04 0.89 0.61 3h37A1 ALA 353 H 0.01 0.36 -0.72 -0.55 8.40 7.50 3h37A1 ALA 353 HA -0.10 0.01 0.45 -0.75 4.34 3.95 3h37A1 ALA 353 HB3 -0.18 0.01 0.12 -0.04 1.41 1.32 3h37A1 TYR 354 H 0.09 0.55 -0.24 -0.55 8.29 8.14 3h37A1 TYR 354 HA -0.01 0.12 0.71 -0.75 4.56 4.63 3h37A1 TYR 354 HB2 -0.02 0.21 0.13 -0.04 3.06 3.34 3h37A1 TYR 354 HB3 -0.01 -0.10 0.03 -0.04 2.98 2.86 3h37A1 TYR 354 HD2 0.00 0.05 0.03 -0.04 7.15 7.19 3h37A1 TYR 354 HE2 -0.03 -0.05 -0.08 -0.04 6.85 6.64 3h37A1 LEU 355 H -0.02 0.20 -0.24 -0.55 8.37 7.76 3h37A1 LEU 355 HA -0.01 0.13 0.57 -0.75 4.35 4.29 3h37A1 LEU 355 HB2 -0.14 0.09 0.02 -0.04 1.64 1.56 3h37A1 LEU 355 HB3 -0.09 -0.21 -0.05 -0.04 1.64 1.25 3h37A1 LEU 355 HG -0.07 -0.09 -0.22 -0.04 1.64 1.21 3h37A1 LEU 355 HD13 -0.02 0.08 -0.32 -0.04 0.93 0.62 3h37A1 LEU 355 HD23 -0.44 0.02 -0.19 -0.04 0.89 0.24 3h37A1 SER 356 H -0.03 0.04 0.14 -0.55 8.46 8.06 3h37A1 SER 356 HA -0.03 0.14 0.55 -0.75 4.49 4.40 3h37A1 SER 356 HB2 -0.01 0.26 -0.06 -0.04 3.95 4.10 3h37A1 SER 356 HB3 -0.01 -0.01 -0.14 -0.04 3.93 3.73 3h37A1 GLY 357 H -0.03 0.23 0.10 -0.55 8.43 8.19 3h37A1 GLY 357 HA2 -0.02 0.09 0.36 -0.51 4.01 3.93 3h37A1 GLY 357 HA3 -0.02 0.02 0.36 -0.51 4.01 3.86 3h37A1 GLU 358 H -0.02 0.14 0.24 -0.55 8.60 8.42 3h37A1 GLU 358 HA -0.03 0.05 0.38 -0.75 4.29 3.95 3h37A1 GLU 358 HB2 -0.02 -0.01 0.24 -0.04 2.09 2.26 3h37A1 GLU 358 HB3 -0.02 0.08 0.02 -0.04 1.99 2.02 3h37A1 GLU 358 HG2 -0.01 -0.04 0.08 -0.04 2.34 2.33 3h37A1 GLU 358 HG3 -0.01 0.02 0.07 -0.04 2.34 2.38 3h37A1 LYS 359 H -0.03 0.19 0.07 -0.55 8.42 8.10 3h37A1 LYS 359 HA -0.04 0.11 0.38 -0.75 4.32 4.02 3h37A1 LYS 359 HB2 -0.03 -0.08 0.15 -0.04 1.87 1.87 3h37A1 LYS 359 HB3 -0.03 0.09 -0.01 -0.04 1.79 1.80 3h37A1 LYS 359 HG2 -0.02 0.09 0.04 -0.04 1.46 1.53 3h37A1 LYS 359 HG3 -0.03 0.04 -0.03 -0.04 1.46 1.41 3h37A1 LYS 359 HD2 -0.02 -0.20 0.14 -0.04 1.69 1.57 3h37A1 LYS 359 HD3 -0.01 0.06 0.10 -0.04 1.68 1.78 3h37A1 LYS 359 HE2 -0.01 -0.04 0.04 -0.04 2.99 2.93 3h37A1 LYS 359 HE3 -0.01 0.06 0.03 -0.04 2.99 3.02 3h37A1 GLU 360 H -0.05 0.12 -0.40 -0.55 8.60 7.72 3h37A1 GLU 360 HA -0.08 0.06 0.24 -0.75 4.29 3.76 3h37A1 GLU 360 HB2 -0.08 0.03 -0.28 -0.04 2.09 1.72 3h37A1 GLU 360 HB3 -0.07 -0.03 -0.32 -0.04 1.99 1.54 3h37A1 GLU 360 HG2 -0.17 0.04 -0.64 -0.04 2.34 1.54 3h37A1 GLU 360 HG3 -0.17 0.04 -0.15 -0.04 2.34 2.02 3h37A1 GLY 361 H -0.06 0.57 -0.28 -0.55 8.43 8.11 3h37A1 GLY 361 HA2 -0.11 -0.02 0.29 -0.51 4.01 3.66 3h37A1 GLY 361 HA3 -0.05 0.07 0.29 -0.51 4.01 3.80 3h37A1 LEU 362 H -0.06 0.40 -0.21 -0.55 8.37 7.96 3h37A1 LEU 362 HA -0.06 0.01 0.51 -0.75 4.35 4.05 3h37A1 LEU 362 HB2 -0.11 0.13 0.19 -0.04 1.64 1.80 3h37A1 LEU 362 HB3 -0.31 0.03 -0.02 -0.04 1.64 1.30 3h37A1 LEU 362 HG -0.10 0.03 0.02 -0.04 1.64 1.56 3h37A1 LEU 362 HD13 -0.11 -0.00 0.00 -0.04 0.93 0.78 3h37A1 LEU 362 HD23 -0.03 0.01 -0.04 -0.04 0.89 0.78 3h37A1 PHE 363 H 0.03 0.57 0.05 -0.55 8.34 8.44 3h37A1 PHE 363 HA -0.13 0.03 0.42 -0.75 4.62 4.18 3h37A1 PHE 363 HB2 -0.12 0.05 0.05 -0.04 3.15 3.09 3h37A1 PHE 363 HB3 -0.11 0.06 0.05 -0.04 3.06 3.02 3h37A1 PHE 363 HD2 -0.10 0.06 -0.23 -0.04 7.28 6.97 3h37A1 PHE 363 HE2 -0.25 0.02 -0.07 -0.04 7.38 7.04 3h37A1 PHE 363 HZ -0.43 -0.01 -0.08 -0.04 7.32 6.75 3h37A1 LYS 364 H -0.02 0.57 -0.32 -0.55 8.42 8.10 3h37A1 LYS 364 HA -0.04 0.02 0.52 -0.75 4.32 4.07 3h37A1 LYS 364 HB2 -0.34 0.17 0.08 -0.04 1.87 1.74 3h37A1 LYS 364 HB3 -0.55 -0.04 -0.05 -0.04 1.79 1.11 3h37A1 LYS 364 HG2 -2.77 -0.02 -0.04 -0.04 1.46 -1.42 3h37A1 LYS 364 HG3 -0.54 -0.02 -0.06 -0.04 1.46 0.80 3h37A1 LYS 364 HD2 -0.59 -0.02 -0.10 -0.04 1.69 0.94 3h37A1 LYS 364 HD3 -0.51 0.02 -0.20 -0.04 1.68 0.96 3h37A1 LYS 364 HE2 -1.46 0.01 -0.05 -0.04 2.99 1.45 3h37A1 LYS 364 HE3 -2.47 -0.02 -0.05 -0.04 2.99 0.40 3h37A1 SER 365 H 0.02 0.41 -0.07 -0.55 8.46 8.27 3h37A1 SER 365 HA 0.16 -0.03 0.46 -0.75 4.49 4.32 3h37A1 SER 365 HB2 0.07 -0.01 0.15 -0.04 3.95 4.12 3h37A1 SER 365 HB3 0.07 0.13 0.28 -0.04 3.93 4.36 3h37A1 TYR 366 H 0.15 0.56 -0.22 -0.55 8.29 8.24 3h37A1 TYR 366 HA -0.02 0.05 0.62 -0.75 4.56 4.45 3h37A1 TYR 366 HB2 -0.23 0.08 0.15 -0.04 3.06 3.03 3h37A1 TYR 366 HB3 -0.19 -0.03 -0.05 -0.04 2.98 2.67 3h37A1 TYR 366 HD2 -0.05 -0.06 -0.18 -0.04 7.15 6.82 3h37A1 TYR 366 HE2 -0.00 0.05 -0.15 -0.04 6.85 6.71 3h37A1 LEU 367 H -0.02 0.72 0.05 -0.55 8.37 8.57 3h37A1 LEU 367 HA 0.05 0.01 0.41 -0.75 4.35 4.07 3h37A1 LEU 367 HB2 0.25 0.13 0.27 -0.04 1.64 2.25 3h37A1 LEU 367 HB3 0.69 -0.01 -0.02 -0.04 1.64 2.26 3h37A1 LEU 367 HG 0.08 -0.03 0.02 -0.04 1.64 1.66 3h37A1 LEU 367 HD13 -0.35 0.01 -0.00 -0.04 0.93 0.54 3h37A1 LEU 367 HD23 0.47 -0.01 -0.05 -0.04 0.89 1.26 3h37A1 LEU 368 H 0.25 0.46 -0.47 -0.55 8.37 8.06 3h37A1 LEU 368 HA 0.13 0.04 0.46 -0.75 4.35 4.22 3h37A1 LEU 368 HB2 0.20 0.15 0.10 -0.04 1.64 2.05 3h37A1 LEU 368 HB3 0.10 -0.06 -0.04 -0.04 1.64 1.60 3h37A1 LEU 368 HG 0.19 -0.05 -0.01 -0.04 1.64 1.74 3h37A1 LEU 368 HD13 -0.07 -0.02 0.03 -0.04 0.93 0.84 3h37A1 LEU 368 HD23 0.34 0.05 -0.07 -0.04 0.89 1.17 3h37A1 LYS 369 H 0.08 0.42 -0.20 -0.55 8.42 8.16 3h37A1 LYS 369 HA 0.02 -0.03 0.58 -0.75 4.32 4.14 3h37A1 LYS 369 HB2 -0.00 0.03 0.14 -0.04 1.87 1.99 3h37A1 LYS 369 HB3 -0.09 0.07 0.09 -0.04 1.79 1.81 3h37A1 LYS 369 HG2 -0.05 0.07 0.05 -0.04 1.46 1.49 3h37A1 LYS 369 HG3 -0.02 -0.11 0.07 -0.04 1.46 1.36 3h37A1 LYS 369 HD2 -0.03 -0.04 0.02 -0.04 1.69 1.60 3h37A1 LYS 369 HD3 -0.14 0.03 0.04 -0.04 1.68 1.56 3h37A1 LYS 369 HE2 -0.05 0.04 -0.06 -0.04 2.99 2.88 3h37A1 LYS 369 HE3 -0.02 -0.08 -0.00 -0.04 2.99 2.84 3h37A1 ILE 370 H 0.06 0.38 -0.19 -0.55 8.25 7.95 3h37A1 ILE 370 HA 0.08 0.10 0.65 -0.75 4.18 4.25 3h37A1 ILE 370 HB 0.05 0.07 0.08 -0.04 1.89 2.05 3h37A1 ILE 370 HG12 -0.02 0.34 -0.07 -0.04 1.49 1.71 3h37A1 ILE 370 HG13 -0.04 -0.11 -0.17 -0.04 1.21 0.86 3h37A1 ILE 370 HG23 0.04 -0.02 -0.07 -0.04 0.93 0.83 3h37A1 ILE 370 HD13 0.06 -0.01 -0.08 -0.04 0.88 0.82 3h37A1 LYS 371 H 0.14 0.45 -0.03 -0.55 8.42 8.42 3h37A1 LYS 371 HA 0.14 0.01 0.43 -0.75 4.32 4.13 3h37A1 LYS 371 HB2 0.40 0.04 0.12 -0.04 1.87 2.38 3h37A1 LYS 371 HB3 0.07 -0.02 0.14 -0.04 1.79 1.94 3h37A1 LYS 371 HG2 0.03 -0.06 -0.11 -0.04 1.46 1.28 3h37A1 LYS 371 HG3 0.18 -0.03 0.05 -0.04 1.46 1.62 3h37A1 LYS 371 HD2 -0.56 0.12 0.03 -0.04 1.69 1.24 3h37A1 LYS 371 HD3 -0.18 -0.04 -0.02 -0.04 1.68 1.40 3h37A1 LYS 371 HE2 -0.09 -0.10 -0.05 -0.04 2.99 2.70 3h37A1 LYS 371 HE3 -0.07 -0.05 0.01 -0.04 2.99 2.83 3h37A1 ASN 372 H 0.04 0.41 -0.19 -0.55 8.53 8.25 3h37A1 ASN 372 HA 0.01 0.04 0.68 -0.75 4.76 4.74 3h37A1 ASN 372 HB2 0.01 0.10 0.12 -0.04 2.88 3.07 3h37A1 ASN 372 HB3 0.00 -0.20 0.20 -0.04 2.79 2.75 3h37A1 ASN 372 HD21 -0.03 -0.06 0.04 -0.04 7.03 6.94 3h37A1 ASN 372 HD22 0.01 0.00 0.05 -0.04 7.74 7.76 3h37A1 THR 373 H 0.01 0.04 0.14 -0.55 8.28 7.91 3h37A1 THR 373 HA 0.00 -0.13 0.39 -0.75 4.39 3.90 3h37A1 THR 373 HB 0.01 0.37 -0.42 -0.04 4.32 4.23 3h37A1 THR 373 HG23 -0.01 -0.00 0.23 -0.04 1.22 1.39 3h37A1 LYS 374 H 0.02 -0.12 -0.55 -0.55 8.42 7.20 3h37A1 LYS 374 HA 0.03 0.15 0.61 -0.75 4.32 4.36 3h37A1 LYS 374 HB2 0.06 0.50 -0.38 -0.04 1.87 2.01 3h37A1 LYS 374 HB3 0.05 -0.11 -0.11 -0.04 1.79 1.58 3h37A1 LYS 374 HG2 0.09 -0.20 0.10 -0.04 1.46 1.40 3h37A1 LYS 374 HG3 0.13 0.01 0.13 -0.04 1.46 1.68 3h37A1 LYS 374 HD2 0.12 0.44 0.10 -0.04 1.69 2.31 3h37A1 LYS 374 HD3 0.08 -0.05 0.05 -0.04 1.68 1.72 3h37A1 LYS 374 HE2 0.10 -0.14 0.03 -0.04 2.99 2.93 3h37A1 LYS 374 HE3 0.23 -0.06 0.03 -0.04 2.99 3.16 3h37A1 LEU 375 H 0.01 -0.05 -0.02 -0.55 8.37 7.75 3h37A1 LEU 375 HA 0.01 0.12 0.25 -0.75 4.35 3.97 3h37A1 LEU 375 HB2 -0.00 -0.01 -0.05 -0.04 1.64 1.54 3h37A1 LEU 375 HB3 0.00 0.00 0.09 -0.04 1.64 1.69 3h37A1 LEU 375 HG -0.00 -0.14 -0.05 -0.04 1.64 1.40 3h37A1 LEU 375 HD13 -0.01 0.01 0.03 -0.04 0.93 0.92 3h37A1 LEU 375 HD23 -0.00 0.00 0.03 -0.04 0.89 0.88 3h37A1 GLU 376 H -0.00 0.07 -0.25 -0.55 8.60 7.86 3h37A1 GLU 376 HA -0.01 0.01 0.26 -0.75 4.29 3.80 3h37A1 GLU 376 HB2 -0.00 0.09 -0.36 -0.04 2.09 1.78 3h37A1 GLU 376 HB3 0.00 0.27 0.04 -0.04 1.99 2.26 3h37A1 GLU 376 HG2 0.00 -0.11 -0.03 -0.04 2.34 2.16 3h37A1 GLU 376 HG3 -0.00 0.03 -0.05 -0.04 2.34 2.27 3h37A1 LYS 377 H -0.01 -0.04 -0.09 -0.55 8.42 7.73 3h37A1 LYS 377 HA -0.01 0.01 0.34 -0.75 4.32 3.90 3h37A1 LYS 377 HB2 -0.01 -0.00 0.04 -0.04 1.87 1.86 3h37A1 LYS 377 HB3 -0.01 -0.02 0.11 -0.04 1.79 1.83 3h37A1 LYS 377 HG2 -0.01 0.03 0.02 -0.04 1.46 1.46 3h37A1 LYS 377 HG3 -0.01 -0.12 0.01 -0.04 1.46 1.30 3h37A1 LYS 377 HD2 -0.01 0.03 0.03 -0.04 1.69 1.71 3h37A1 LYS 377 HD3 -0.01 0.02 0.03 -0.04 1.68 1.69 3h37A1 LYS 377 HE2 -0.01 0.03 0.02 -0.04 2.99 2.99 3h37A1 LYS 377 HE3 -0.01 -0.03 0.01 -0.04 2.99 2.92 3h37A1 ILE 378 H -0.01 0.04 0.16 -0.55 8.25 7.90 3h37A1 ILE 378 HA -0.02 -0.03 0.49 -0.75 4.18 3.86 3h37A1 ILE 378 HB -0.02 -0.03 0.05 -0.04 1.89 1.86 3h37A1 ILE 378 HG12 -0.01 0.00 -0.09 -0.04 1.49 1.35 3h37A1 ILE 378 HG13 -0.01 -0.02 -0.20 -0.04 1.21 0.94 3h37A1 ILE 378 HG23 -0.02 0.01 0.09 -0.04 0.93 0.97 3h37A1 ILE 378 HD13 -0.00 0.02 -1.14 -0.04 0.88 -0.29 3h37A1 ASN 379 H -0.01 0.04 0.21 -0.55 8.53 8.22 3h37A1 ASN 379 HA 0.01 -0.07 0.35 -0.75 4.76 4.29 3h37A1 ASN 379 HB2 0.00 -0.18 0.20 -0.04 2.88 2.86 3h37A1 ASN 379 HB3 -0.00 1.36 1.14 -0.04 2.79 5.24 3h37A1 ASN 379 HD21 -0.00 0.02 0.01 -0.04 7.03 7.01 3h37A1 ASN 379 HD22 0.00 -0.09 -0.06 -0.04 7.74 7.55 3h37A1 GLY 380 H 0.01 0.08 0.12 -0.55 8.43 8.09 3h37A1 GLY 380 HA2 0.02 0.17 0.71 -0.51 4.01 4.39 3h37A1 GLY 380 HA3 0.02 0.19 0.31 -0.51 4.01 4.02 3h37A1 GLU 381 H 0.03 0.26 0.18 -0.55 8.60 8.52 3h37A1 GLU 381 HA 0.04 0.05 0.40 -0.75 4.29 4.02 3h37A1 GLU 381 HB2 0.06 0.01 -0.02 -0.04 2.09 2.09 3h37A1 GLU 381 HB3 0.04 0.05 -0.10 -0.04 1.99 1.94 3h37A1 GLU 381 HG2 0.07 0.35 -0.39 -0.04 2.34 2.32 3h37A1 GLU 381 HG3 0.18 -0.13 0.13 -0.04 2.34 2.47 3h37A1 TYR 382 H 0.19 0.53 0.02 -0.55 8.29 8.49 3h37A1 TYR 382 HA -0.00 0.15 0.77 -0.75 4.56 4.72 3h37A1 TYR 382 HB2 -0.00 0.12 0.19 -0.04 3.06 3.33 3h37A1 TYR 382 HB3 -0.00 0.01 -0.00 -0.04 2.98 2.94 3h37A1 TYR 382 HD2 -0.00 0.00 -0.01 -0.04 7.15 7.10 3h37A1 TYR 382 HE2 -0.00 0.02 0.01 -0.04 6.85 6.83 3h37A1 LEU 383 H 0.12 0.13 -0.20 -0.55 8.37 7.87 3h37A1 LEU 383 HA 0.07 0.09 0.18 -0.75 4.35 3.93 3h37A1 LEU 383 HB2 0.05 -0.11 -0.03 -0.04 1.64 1.51 3h37A1 LEU 383 HB3 0.03 0.15 -0.04 -0.04 1.64 1.74 3h37A1 LEU 383 HG 0.04 0.01 0.02 -0.04 1.64 1.67 3h37A1 LEU 383 HD13 0.02 -0.01 -0.00 -0.04 0.93 0.90 3h37A1 LEU 383 HD23 0.01 0.02 -0.05 -0.04 0.89 0.83 3h37A1 ILE 384 H 0.04 -0.03 -0.50 -0.55 8.25 7.20 3h37A1 ILE 384 HA 0.01 0.12 0.36 -0.75 4.18 3.92 3h37A1 ILE 384 HB 0.01 -0.07 0.03 -0.04 1.89 1.83 3h37A1 ILE 384 HG12 0.01 -0.02 0.02 -0.04 1.49 1.46 3h37A1 ILE 384 HG13 0.01 0.06 0.05 -0.04 1.21 1.28 3h37A1 ILE 384 HG23 -0.00 0.04 -0.14 -0.04 0.93 0.78 3h37A1 ILE 384 HD13 0.00 0.02 -0.04 -0.04 0.88 0.82 3h37A1 ARG 385 H -0.00 0.16 -0.37 -0.55 8.46 7.70 3h37A1 ARG 385 HA -0.03 0.46 0.50 -0.75 4.34 4.51 3h37A1 ARG 385 HB2 -0.05 0.14 0.24 -0.04 1.90 2.19 3h37A1 ARG 385 HB3 -0.12 -0.07 0.24 -0.04 1.80 1.81 3h37A1 ARG 385 HG2 -0.07 -0.01 -0.14 -0.04 1.67 1.41 3h37A1 ARG 385 HG3 -0.05 -0.01 0.08 -0.04 1.67 1.65 3h37A1 ARG 385 HD2 -0.14 0.03 0.08 -0.04 3.22 3.16 3h37A1 ARG 385 HD3 -0.18 -0.02 -0.00 -0.04 3.22 2.97 3h37A1 LYS 386 H -0.06 0.43 0.03 -0.55 8.42 8.27 3h37A1 LYS 386 HA -0.04 0.04 0.42 -0.75 4.32 3.98 3h37A1 LYS 386 HB2 0.01 0.09 0.01 -0.04 1.87 1.94 3h37A1 LYS 386 HB3 0.00 0.01 -0.05 -0.04 1.79 1.71 3h37A1 LYS 386 HG2 -0.04 0.01 0.03 -0.04 1.46 1.42 3h37A1 LYS 386 HG3 -0.14 -0.04 0.04 -0.04 1.46 1.28 3h37A1 LYS 386 HD2 0.11 -0.06 -0.05 -0.04 1.69 1.65 3h37A1 LYS 386 HD3 0.05 0.01 -0.05 -0.04 1.68 1.65 3h37A1 LYS 386 HE2 0.01 0.02 -0.01 -0.04 2.99 2.97 3h37A1 LYS 386 HE3 -0.00 -0.01 -0.01 -0.04 2.99 2.93 3h37A1 GLY 387 H -0.01 0.10 -0.92 -0.55 8.43 7.06 3h37A1 GLY 387 HA2 0.00 -0.04 0.28 -0.51 4.01 3.74 3h37A1 GLY 387 HA3 -0.00 0.01 0.30 -0.51 4.01 3.81 3h37A1 ILE 388 H -0.02 0.55 -0.40 -0.55 8.25 7.83 3h37A1 ILE 388 HA -0.02 -0.01 0.25 -0.75 4.18 3.66 3h37A1 ILE 388 HB -0.01 0.17 0.56 -0.04 1.89 2.57 3h37A1 ILE 388 HG12 -0.01 -0.07 0.17 -0.04 1.49 1.54 3h37A1 ILE 388 HG13 -0.01 -0.04 0.15 -0.04 1.21 1.26 3h37A1 ILE 388 HG23 -0.01 -0.09 -0.55 -0.04 0.93 0.25 3h37A1 ILE 388 HD13 -0.01 -0.02 0.04 -0.04 0.88 0.85 3h37A1 THR 389 H -0.01 0.41 0.19 -0.55 8.28 8.32 3h37A1 THR 389 HA -0.01 0.16 0.98 -0.75 4.39 4.76 3h37A1 THR 389 HB -0.01 0.01 -0.03 -0.04 4.32 4.25 3h37A1 THR 389 HG23 -0.01 0.12 -0.01 -0.04 1.22 1.28 3h37A1 SER 390 H -0.01 0.28 0.21 -0.55 8.46 8.39 3h37A1 SER 390 HA -0.02 0.14 0.85 -0.75 4.49 4.71 3h37A1 SER 390 HB2 -0.01 -0.00 0.00 -0.04 3.95 3.90 3h37A1 SER 390 HB3 -0.02 -0.02 0.07 -0.04 3.93 3.93 3h37A1 GLY 391 H -0.01 0.17 0.15 -0.55 8.43 8.20 3h37A1 GLY 391 HA2 -0.00 0.09 0.35 -0.51 4.01 3.93 3h37A1 GLY 391 HA3 -0.00 0.24 0.94 -0.51 4.01 4.68 3h37A1 LYS 392 H -0.00 0.00 0.18 -0.55 8.42 8.04 3h37A1 LYS 392 HA 0.00 0.10 0.36 -0.75 4.32 4.02 3h37A1 LYS 392 HB2 0.00 0.06 0.06 -0.04 1.87 1.96 3h37A1 LYS 392 HB3 0.00 0.05 0.14 -0.04 1.79 1.95 3h37A1 LYS 392 HG2 0.00 0.08 0.05 -0.04 1.46 1.55 3h37A1 LYS 392 HG3 0.00 0.01 0.04 -0.04 1.46 1.48 3h37A1 LYS 392 HD2 -0.00 0.00 0.25 -0.04 1.69 1.90 3h37A1 LYS 392 HD3 0.00 0.09 0.08 -0.04 1.68 1.80 3h37A1 LYS 392 HE2 0.00 0.06 0.03 -0.04 2.99 3.04 3h37A1 LYS 392 HE3 -0.00 -0.09 0.04 -0.04 2.99 2.90 3h37A1 ILE 393 H -0.00 0.11 -0.54 -0.55 8.25 7.27 3h37A1 ILE 393 HA -0.00 0.12 0.51 -0.75 4.18 4.05 3h37A1 ILE 393 HB -0.01 0.05 0.04 -0.04 1.89 1.94 3h37A1 ILE 393 HG12 -0.01 0.10 -0.07 -0.04 1.49 1.47 3h37A1 ILE 393 HG13 -0.00 -0.06 -0.26 -0.04 1.21 0.84 3h37A1 ILE 393 HG23 -0.00 0.01 0.00 -0.04 0.93 0.90 3h37A1 ILE 393 HD13 -0.01 -0.01 -0.23 -0.04 0.88 0.59 3h37A1 ILE 394 H -0.00 0.49 -0.30 -0.55 8.25 7.89 3h37A1 ILE 394 HA -0.00 0.05 0.21 -0.75 4.18 3.68 3h37A1 ILE 394 HB 0.00 -0.07 0.03 -0.04 1.89 1.81 3h37A1 ILE 394 HG12 0.00 0.15 0.05 -0.04 1.49 1.65 3h37A1 ILE 394 HG13 0.01 0.02 -0.42 -0.04 1.21 0.77 3h37A1 ILE 394 HG23 -0.01 0.07 -0.13 -0.04 0.93 0.83 3h37A1 ILE 394 HD13 0.00 -0.02 -0.01 -0.04 0.88 0.82 3h37A1 GLY 395 H 0.00 0.22 -0.46 -0.55 8.43 7.65 3h37A1 GLY 395 HA2 0.01 0.07 0.53 -0.51 4.01 4.11 3h37A1 GLY 395 HA3 0.01 0.10 0.26 -0.51 4.01 3.87 3h37A1 GLU 396 H -0.00 0.22 -0.12 -0.55 8.60 8.15 3h37A1 GLU 396 HA -0.01 0.08 0.39 -0.75 4.29 4.00 3h37A1 GLU 396 HB2 -0.01 -0.00 0.11 -0.04 2.09 2.15 3h37A1 GLU 396 HB3 -0.01 0.08 0.17 -0.04 1.99 2.19 3h37A1 GLU 396 HG2 -0.02 0.02 -0.23 -0.04 2.34 2.07 3h37A1 GLU 396 HG3 -0.02 0.00 0.03 -0.04 2.34 2.31 3h37A1 VAL 397 H -0.01 0.37 -0.25 -0.55 8.24 7.81 3h37A1 VAL 397 HA -0.02 0.13 0.52 -0.75 4.13 4.01 3h37A1 VAL 397 HB -0.01 -0.00 0.02 -0.04 2.12 2.08 3h37A1 VAL 397 HG13 -0.01 0.10 -0.03 -0.04 0.97 0.99 3h37A1 VAL 397 HG23 -0.01 0.02 -0.09 -0.04 0.95 0.83 3h37A1 LEU 398 H -0.01 0.35 -0.18 -0.55 8.37 7.98 3h37A1 LEU 398 HA -0.01 0.00 0.45 -0.75 4.35 4.03 3h37A1 LEU 398 HB2 -0.00 0.12 0.22 -0.04 1.64 1.94 3h37A1 LEU 398 HB3 -0.00 0.02 0.02 -0.04 1.64 1.64 3h37A1 LEU 398 HG 0.00 0.12 0.17 -0.04 1.64 1.89 3h37A1 LEU 398 HD13 0.01 -0.04 0.03 -0.04 0.93 0.89 3h37A1 LEU 398 HD23 0.01 -0.10 0.10 -0.04 0.89 0.85 3h37A1 GLU 399 H -0.03 0.50 -0.22 -0.55 8.60 8.31 3h37A1 GLU 399 HA -0.09 0.05 0.44 -0.75 4.29 3.93 3h37A1 GLU 399 HB2 -0.02 -0.03 0.07 -0.04 2.09 2.07 3h37A1 GLU 399 HB3 -0.04 0.08 0.13 -0.04 1.99 2.11 3h37A1 GLU 399 HG2 -0.11 0.03 -0.21 -0.04 2.34 2.02 3h37A1 GLU 399 HG3 -0.25 -0.00 -0.03 -0.04 2.34 2.01 3h37A1 LYS 400 H -0.05 0.38 -0.18 -0.55 8.42 8.02 3h37A1 LYS 400 HA -0.09 0.06 0.31 -0.75 4.32 3.85 3h37A1 LYS 400 HB2 -0.04 -0.00 0.16 -0.04 1.87 1.95 3h37A1 LYS 400 HB3 -0.04 -0.03 0.03 -0.04 1.79 1.71 3h37A1 LYS 400 HG2 -0.06 -0.00 0.02 -0.04 1.46 1.37 3h37A1 LYS 400 HG3 -0.04 0.11 0.07 -0.04 1.46 1.55 3h37A1 LYS 400 HD2 -0.03 -0.05 -0.04 -0.04 1.69 1.53 3h37A1 LYS 400 HD3 -0.04 0.00 -0.01 -0.04 1.68 1.59 3h37A1 LYS 400 HE2 -0.03 -0.05 -0.04 -0.04 2.99 2.83 3h37A1 LYS 400 HE3 -0.03 -0.01 -0.03 -0.04 2.99 2.87 3h37A1 ILE 401 H -0.05 0.34 -0.45 -0.55 8.25 7.54 3h37A1 ILE 401 HA -0.04 0.06 0.63 -0.75 4.18 4.07 3h37A1 ILE 401 HB -0.03 0.15 0.08 -0.04 1.89 2.05 3h37A1 ILE 401 HG12 -0.03 0.38 0.06 -0.04 1.49 1.86 3h37A1 ILE 401 HG13 -0.02 -0.13 -0.03 -0.04 1.21 0.99 3h37A1 ILE 401 HG23 -0.02 -0.05 -0.12 -0.04 0.93 0.70 3h37A1 ILE 401 HD13 -0.02 -0.03 -0.12 -0.04 0.88 0.67 3h37A1 LEU 402 H -0.08 0.37 -0.15 -0.55 8.37 7.96 3h37A1 LEU 402 HA -0.07 -0.08 0.17 -0.75 4.35 3.62 3h37A1 LEU 402 HB2 -0.08 0.01 0.13 -0.04 1.64 1.65 3h37A1 LEU 402 HB3 -0.22 0.16 0.20 -0.04 1.64 1.74 3h37A1 LEU 402 HG -0.13 0.03 0.12 -0.04 1.64 1.62 3h37A1 LEU 402 HD13 -0.02 -0.03 -0.03 -0.04 0.93 0.81 3h37A1 LEU 402 HD23 -0.01 0.01 0.04 -0.04 0.89 0.88 3h37A1 LYS 404 HA -0.03 -0.06 0.24 -0.75 4.32 3.71 3h37A1 LYS 404 HB2 -0.04 0.15 0.13 -0.04 1.87 2.07 3h37A1 LYS 404 HB3 -0.03 -0.05 -0.09 -0.04 1.79 1.58 3h37A1 LYS 404 HG2 -0.02 -0.03 0.00 -0.04 1.46 1.37 3h37A1 LYS 404 HG3 -0.02 -0.04 -0.02 -0.04 1.46 1.35 3h37A1 LYS 404 HD2 -0.02 -0.00 0.08 -0.04 1.69 1.70 3h37A1 LYS 404 HD3 -0.02 0.01 0.03 -0.04 1.68 1.66 3h37A1 LYS 404 HE2 -0.01 -0.04 0.02 -0.04 2.99 2.92 3h37A1 LYS 404 HE3 -0.01 0.02 0.03 -0.04 2.99 3.00 3h37A1 LYS 405 H -0.05 0.50 -1.76 -0.55 8.42 6.54 3h37A1 LYS 405 HA -0.03 -0.07 0.22 -0.75 4.32 3.70 3h37A1 LYS 405 HB2 -0.04 0.15 -0.04 -0.04 1.87 1.90 3h37A1 LYS 405 HB3 -0.04 0.17 0.02 -0.04 1.79 1.90 3h37A1 LYS 405 HG2 -0.02 -0.04 -0.03 -0.04 1.46 1.33 3h37A1 LYS 405 HG3 -0.02 -0.06 -0.01 -0.04 1.46 1.33 3h37A1 LYS 405 HD2 -0.02 0.07 -0.09 -0.04 1.69 1.62 3h37A1 LYS 405 HD3 -0.02 -0.10 -0.05 -0.04 1.68 1.47 3h37A1 LYS 405 HE2 -0.01 -0.14 0.03 -0.04 2.99 2.83 3h37A1 LYS 405 HE3 -0.01 -0.03 0.01 -0.04 2.99 2.91 3h37A1 LEU 406 H -0.06 0.65 0.31 -0.55 8.37 8.72 3h37A1 LEU 406 HA -0.04 0.10 0.78 -0.75 4.35 4.44 3h37A1 LEU 406 HB2 -0.05 -0.02 0.17 -0.04 1.64 1.70 3h37A1 LEU 406 HB3 -0.03 0.23 0.20 -0.04 1.64 2.00 3h37A1 LEU 406 HG -0.11 0.12 -0.08 -0.04 1.64 1.53 3h37A1 LEU 406 HD13 -0.07 -0.05 -0.43 -0.04 0.93 0.34 3h37A1 LEU 406 HD23 0.03 -0.00 -0.04 -0.04 0.89 0.84 3h37A1 ASP 407 H -0.04 0.29 -0.99 -0.55 8.40 7.12 3h37A1 ASP 407 HA -0.04 0.04 0.60 -0.75 4.63 4.48 3h37A1 ASP 407 HB2 -0.02 0.25 0.07 -0.04 2.71 2.96 3h37A1 ASP 407 HB3 -0.01 -0.09 0.21 -0.04 2.70 2.76 3h37A1 GLY 408 H -0.03 0.39 -0.09 -0.55 8.43 8.15 3h37A1 GLY 408 HA2 -0.02 -0.03 0.50 -0.51 4.01 3.95 3h37A1 GLY 408 HA3 -0.01 -0.01 0.47 -0.51 4.01 3.95 3h37A1 ASP 409 H -0.01 0.13 0.21 -0.55 8.40 8.18 3h37A1 ASP 409 HA -0.01 0.09 0.37 -0.75 4.63 4.33 3h37A1 ASP 409 HB2 -0.02 0.22 -0.66 -0.04 2.71 2.22 3h37A1 ASP 409 HB3 -0.02 -0.04 -0.11 -0.04 2.70 2.49 3h37A1 THR 410 H -0.01 0.14 0.02 -0.55 8.28 7.88 3h37A1 THR 410 HA -0.01 0.14 0.44 -0.75 4.39 4.21 3h37A1 THR 410 HB -0.01 0.04 0.04 -0.04 4.32 4.35 3h37A1 THR 410 HG23 -0.00 -0.05 0.10 -0.04 1.22 1.22 3h37A1 ARG 411 H -0.01 0.10 0.12 -0.55 8.46 8.13 3h37A1 ARG 411 HA -0.01 0.15 0.57 -0.75 4.34 4.31 3h37A1 ARG 411 HB2 -0.00 0.10 0.19 -0.04 1.90 2.14 3h37A1 ARG 411 HB3 -0.00 -0.31 0.15 -0.04 1.80 1.60 3h37A1 ARG 411 HG2 -0.00 0.11 0.08 -0.04 1.67 1.82 3h37A1 ARG 411 HG3 -0.00 0.04 0.06 -0.04 1.67 1.72 3h37A1 ARG 411 HD2 -0.00 -0.08 0.02 -0.04 3.22 3.11 3h37A1 ARG 411 HD3 -0.01 0.01 0.14 -0.04 3.22 3.32 3h37A1 ASP 412 H -0.01 0.23 0.17 -0.55 8.40 8.25 3h37A1 ASP 412 HA -0.01 0.15 0.25 -0.75 4.63 4.26 3h37A1 ASP 412 HB2 -0.01 -0.06 0.12 -0.04 2.71 2.72 3h37A1 ASP 412 HB3 -0.01 0.04 0.09 -0.04 2.70 2.78 3h37A1 GLU 413 H -0.00 0.02 -0.44 -0.55 8.60 7.62 3h37A1 GLU 413 HA -0.00 0.13 0.52 -0.75 4.29 4.18 3h37A1 GLU 413 HB2 -0.00 0.04 0.05 -0.04 2.09 2.14 3h37A1 GLU 413 HB3 -0.00 -0.06 0.08 -0.04 1.99 1.96 3h37A1 GLU 413 HG2 0.00 0.04 -0.03 -0.04 2.34 2.30 3h37A1 GLU 413 HG3 -0.00 0.01 -0.22 -0.04 2.34 2.09 3h37A1 GLU 414 H -0.00 0.05 -0.01 -0.55 8.60 8.10 3h37A1 GLU 414 HA -0.00 0.04 0.43 -0.75 4.29 4.00 3h37A1 GLU 414 HB2 -0.00 -0.05 0.17 -0.04 2.09 2.16 3h37A1 GLU 414 HB3 -0.01 0.07 0.10 -0.04 1.99 2.11 3h37A1 GLU 414 HG2 -0.01 0.06 -0.03 -0.04 2.34 2.32 3h37A1 GLU 414 HG3 -0.00 0.01 0.09 -0.04 2.34 2.39 3h37A1 GLU 415 H -0.01 0.26 -0.90 -0.55 8.60 7.41 3h37A1 GLU 415 HA -0.01 0.09 0.39 -0.75 4.29 4.01 3h37A1 GLU 415 HB2 -0.01 -0.07 -0.23 -0.04 2.09 1.74 3h37A1 GLU 415 HB3 -0.01 0.10 -0.03 -0.04 1.99 2.01 3h37A1 GLU 415 HG2 -0.02 0.03 -0.18 -0.04 2.34 2.13 3h37A1 GLU 415 HG3 -0.02 -0.02 -0.05 -0.04 2.34 2.21 3h37A1 ILE 416 H -0.01 0.56 0.16 -0.55 8.25 8.41 3h37A1 ILE 416 HA -0.01 0.11 0.64 -0.75 4.18 4.16 3h37A1 ILE 416 HB -0.01 0.07 0.15 -0.04 1.89 2.06 3h37A1 ILE 416 HG12 -0.00 -0.07 -0.24 -0.04 1.49 1.14 3h37A1 ILE 416 HG13 -0.01 -0.00 0.04 -0.04 1.21 1.20 3h37A1 ILE 416 HG23 -0.00 0.02 0.20 -0.04 0.93 1.11 3h37A1 ILE 416 HD13 0.00 -0.00 -0.06 -0.04 0.88 0.77 3h37A1 LEU 417 H -0.01 0.75 -0.05 -0.55 8.37 8.52 3h37A1 LEU 417 HA -0.00 0.01 0.40 -0.75 4.35 4.00 3h37A1 LEU 417 HB2 -0.00 0.06 0.09 -0.04 1.64 1.74 3h37A1 LEU 417 HB3 -0.00 -0.01 -0.03 -0.04 1.64 1.56 3h37A1 LEU 417 HG -0.00 0.10 -0.01 -0.04 1.64 1.68 3h37A1 LEU 417 HD13 -0.00 -0.02 -0.06 -0.04 0.93 0.80 3h37A1 LEU 417 HD23 -0.00 -0.01 -0.02 -0.04 0.89 0.81 3h37A1 GLU 418 H -0.01 0.50 -0.20 -0.55 8.60 8.34 3h37A1 GLU 418 HA -0.01 -0.00 0.41 -0.75 4.29 3.94 3h37A1 GLU 418 HB2 -0.01 0.02 0.16 -0.04 2.09 2.22 3h37A1 GLU 418 HB3 -0.01 0.09 0.10 -0.04 1.99 2.13 3h37A1 GLU 418 HG2 -0.01 0.01 0.02 -0.04 2.34 2.32 3h37A1 GLU 418 HG3 -0.01 -0.06 0.07 -0.04 2.34 2.30 3h37A1 GLU 419 H -0.01 0.04 -1.03 -0.55 8.60 7.05 3h37A1 GLU 419 HA -0.01 0.09 0.51 -0.75 4.29 4.13 3h37A1 GLU 419 HB2 -0.02 0.45 0.29 -0.04 2.09 2.77 3h37A1 GLU 419 HB3 -0.01 -0.11 0.23 -0.04 1.99 2.06 3h37A1 GLU 419 HG2 -0.02 0.07 -0.06 -0.04 2.34 2.28 3h37A1 GLU 419 HG3 -0.03 0.00 -0.18 -0.04 2.34 2.10 3h37A1 VAL 420 H -0.01 0.97 0.26 -0.55 8.24 8.91 3h37A1 VAL 420 HA -0.01 0.01 0.34 -0.75 4.13 3.72 3h37A1 VAL 420 HB -0.01 -0.03 -0.02 -0.04 2.12 2.03 3h37A1 VAL 420 HG13 -0.01 0.00 0.03 -0.04 0.97 0.95 3h37A1 VAL 420 HG23 -0.01 0.07 0.06 -0.04 0.95 1.03 3h37A1 LEU 421 H -0.01 0.52 -0.16 -0.55 8.37 8.17 3h37A1 LEU 421 HA -0.01 0.05 0.51 -0.75 4.35 4.15 3h37A1 LEU 421 HB2 -0.00 0.20 0.09 -0.04 1.64 1.88 3h37A1 LEU 421 HB3 -0.00 -0.01 0.06 -0.04 1.64 1.64 3h37A1 LEU 421 HG -0.00 -0.01 0.01 -0.04 1.64 1.60 3h37A1 LEU 421 HD13 -0.00 -0.02 -0.06 -0.04 0.93 0.81 3h37A1 LEU 421 HD23 -0.00 -0.01 -0.01 -0.04 0.89 0.83 3h37A1 ALA 422 H -0.01 0.31 -0.60 -0.55 8.40 7.56 3h37A1 ALA 422 HA -0.01 0.02 0.80 -0.75 4.34 4.40 3h37A1 ALA 422 HB3 -0.01 0.08 0.21 -0.04 1.41 1.65 3h37A1 SER 423 H -0.01 0.72 0.04 -0.55 8.46 8.66 3h37A1 SER 423 HA -0.01 -0.02 0.40 -0.75 4.49 4.10 3h37A1 SER 423 HB2 -0.01 0.07 0.05 -0.04 3.95 4.01 3h37A1 SER 423 HB3 -0.01 0.03 0.08 -0.04 3.93 3.99 3h37A1 LEU 424 H -0.01 -0.02 -0.66 -0.55 8.37 7.14 3h37A1 LEU 424 HA -0.01 0.10 0.53 -0.75 4.35 4.22 3h37A1 LEU 424 HB2 -0.01 -0.07 0.01 -0.04 1.64 1.54 3h37A1 LEU 424 HB3 -0.01 -0.02 0.14 -0.04 1.64 1.71 3h37A1 LEU 424 HG -0.00 -0.01 -0.21 -0.04 1.64 1.38 3h37A1 LEU 424 HD13 -0.00 -0.03 -0.04 -0.04 0.93 0.81 3h37A1 LEU 424 HD23 -0.00 0.01 -0.14 -0.04 0.89 0.72 3h37A1 GLU 425 H -0.01 0.23 -0.22 -0.55 8.60 8.06 3h37A1 GLU 425 HA -0.00 -0.01 0.33 -0.75 4.29 3.85 3h37A1 GLU 425 HB2 -0.00 0.09 0.18 -0.04 2.09 2.31 3h37A1 GLU 425 HB3 -0.00 -0.04 0.13 -0.04 1.99 2.04 3h37A1 GLU 425 HG2 -0.00 0.00 -0.07 -0.04 2.34 2.23 3h37A1 GLU 425 HG3 -0.00 -0.04 0.03 -0.04 2.34 2.28 3h37A1 THR 426 H -0.01 0.25 -0.08 -0.55 8.28 7.90 3h37A1 THR 426 HA -0.00 -0.05 0.32 -0.75 4.39 3.90 3h37A1 THR 426 HB -0.01 0.04 0.05 -0.04 4.32 4.36 3h37A1 THR 426 HG23 -0.01 -0.02 -0.14 -0.04 1.22 1.01 3h37A1 GLU 427 H -0.01 0.36 -0.25 -0.55 8.60 8.16 3h37A1 GLU 427 HA -0.00 0.10 0.58 -0.75 4.29 4.21 3h37A1 GLU 427 HB2 -0.01 -0.05 -0.09 -0.04 2.09 1.90 3h37A1 GLU 427 HB3 -0.00 -0.01 0.03 -0.04 1.99 1.97 3h37A1 GLU 427 HG2 -0.00 -0.02 -0.47 -0.04 2.34 1.81 3h37A1 GLU 427 HG3 -0.00 -0.09 -0.06 -0.04 2.34 2.15 3h37A1 GLY 428 H -0.00 0.04 0.13 -0.55 8.43 8.04 3h37A1 GLY 428 HA2 -0.00 0.04 0.49 -0.51 4.01 4.02 3h37A1 GLY 428 HA3 -0.00 -0.03 0.34 -0.51 4.01 3.80 3h37A1 LYS 429 H -0.01 0.07 0.09 -0.55 8.42 8.02 3h37A1 LYS 429 HA -0.01 0.13 0.16 -0.75 4.32 3.85 3h37A1 LYS 429 HB2 -0.01 0.07 0.01 -0.04 1.87 1.91 3h37A1 LYS 429 HB3 -0.01 -0.01 0.06 -0.04 1.79 1.79 3h37A1 LYS 429 HG2 -0.01 -0.03 -0.00 -0.04 1.46 1.38 3h37A1 LYS 429 HG3 -0.01 -0.02 -0.04 -0.04 1.46 1.36 3h37A1 LYS 429 HD2 -0.01 0.03 -0.04 -0.04 1.69 1.64 3h37A1 LYS 429 HD3 -0.01 0.00 -0.02 -0.04 1.68 1.61 3h37A1 LYS 429 HE2 -0.01 -0.03 0.01 -0.04 2.99 2.92 3h37A1 LYS 429 HE3 -0.01 -0.05 -0.02 -0.04 2.99 2.87