============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 64 rings ring int. center anis. iso. HIS 7 0.900 38.113 33.192 2.288 -99.200 -91.000 PHE 9 1.000 26.590 34.642 0.557 -99.200 -91.000 TRP 11 1.040 30.813 29.907 -8.336 -99.200 -91.000 TRP6 11 1.020 29.911 27.787 -7.794 -99.200 -91.000 HIS 12 0.900 29.707 28.569 -2.277 -99.200 -91.000 HIS 15 0.900 27.216 29.268 -10.075 -99.200 -91.000 PHE 22 1.000 25.935 23.815 9.101 -99.200 -91.000 TRP 25 1.040 30.247 30.249 9.350 -99.200 -91.000 TRP6 25 1.020 32.058 31.323 8.277 -99.200 -91.000 TRP 30 1.040 19.054 21.754 -2.984 -99.200 -91.000 TRP6 30 1.020 17.627 21.838 -1.101 -99.200 -91.000 TYR 31 0.840 26.341 24.375 -4.753 -99.200 -91.000 HIS 38 0.900 24.791 10.479 0.138 -99.200 -91.000 PHE 48 1.000 30.926 17.751 0.020 -99.200 -91.000 HIS 52 0.900 31.274 25.365 6.885 -99.200 -91.000 PHE 58 1.000 46.366 26.280 19.149 -99.200 -91.000 PHE 66 1.000 47.486 26.567 25.363 -99.200 -91.000 TYR 69 0.840 47.195 20.135 31.801 -99.200 -91.000 TYR 85 0.840 38.662 12.787 16.296 -99.200 -91.000 PHE 102 1.000 46.144 18.842 9.103 -99.200 -91.000 TYR 109 0.840 52.519 21.819 17.127 -99.200 -91.000 PHE 118 1.000 34.845 30.387 13.963 -99.200 -91.000 TYR 122 0.840 41.167 33.754 19.132 -99.200 -91.000 TRP 124 1.040 39.499 25.872 26.385 -99.200 -91.000 TRP6 124 1.020 38.999 26.227 28.697 -99.200 -91.000 PHE 125 1.000 42.116 25.743 22.231 -99.200 -91.000 TYR 127 0.840 39.563 35.687 28.219 -99.200 -91.000 PHE 135 1.000 49.489 33.320 38.356 -99.200 -91.000 TYR 147 0.840 35.452 35.086 10.584 -99.200 -91.000 PHE 152 1.000 37.643 26.222 -2.238 -99.200 -91.000 PHE 167 1.000 46.395 20.396 -6.214 -99.200 -91.000 TRP 175 1.040 50.392 9.877 7.576 -99.200 -91.000 TRP6 175 1.020 52.716 10.208 7.286 -99.200 -91.000 TRP 176 1.040 42.069 9.942 6.744 -99.200 -91.000 TRP6 176 1.020 41.140 9.782 4.573 -99.200 -91.000 PHE 177 1.000 43.050 12.381 10.312 -99.200 -91.000 TRP 181 1.040 53.371 23.837 3.048 -99.200 -91.000 TRP6 181 1.020 51.645 25.418 3.361 -99.200 -91.000 TYR 196 0.840 31.985 15.251 8.827 -99.200 -91.000 PHE 202 1.000 41.979 16.940 -3.577 -99.200 -91.000 TYR 205 0.840 43.456 22.405 5.060 -99.200 -91.000 TYR 212 0.840 30.212 38.802 1.494 -99.200 -91.000 HIS 213 0.900 38.825 39.140 8.051 -99.200 -91.000 HIS 227 0.900 42.638 30.312 -11.511 -99.200 -91.000 TRP 229 1.040 33.892 26.685 -6.467 -99.200 -91.000 TRP6 229 1.020 33.405 25.261 -4.640 -99.200 -91.000 TYR 239 0.840 38.858 12.535 -13.326 -99.200 -91.000 TYR 258 0.840 33.234 9.630 9.187 -99.200 -91.000 TYR 261 0.840 30.919 20.372 20.088 -99.200 -91.000 PHE 287 1.000 38.661 7.288 17.780 -99.200 -91.000 TYR 290 0.840 50.143 9.402 25.296 -99.200 -91.000 TRP 291 1.040 42.980 6.496 28.428 -99.200 -91.000 TRP6 291 1.020 41.412 7.705 29.721 -99.200 -91.000 PHE 295 1.000 43.291 13.791 29.052 -99.200 -91.000 HIS 315 0.900 26.602 5.120 14.437 -99.200 -91.000 PHE 316 1.000 17.986 5.829 14.604 -99.200 -91.000 TYR 328 0.840 11.590 13.445 14.892 -99.200 -91.000 TYR 331 0.840 9.021 5.909 23.194 -99.200 -91.000 PHE 357 1.000 24.169 10.522 25.186 -99.200 -91.000 TYR 362 0.840 17.671 -0.707 25.960 -99.200 -91.000 PHE 387 1.000 23.517 4.135 9.245 -99.200 -91.000 TYR 388 0.840 29.676 3.684 3.278 -99.200 -91.000 TYR 393 0.840 27.964 2.509 -2.947 -99.200 -91.000 PHE 396 1.000 40.248 1.602 4.052 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1v5vA1 GLN 3 HA -0.04 -0.11 0.21 -0.75 4.36 3.67 1v5vA1 GLN 3 HB2 -0.03 -0.04 0.04 -0.04 2.15 2.08 1v5vA1 GLN 3 HB3 -0.04 -0.03 -0.01 -0.04 2.02 1.91 1v5vA1 GLN 3 HG2 -0.07 0.21 -0.16 -0.04 2.40 2.34 1v5vA1 GLN 3 HG3 -0.05 -0.08 0.03 -0.04 2.39 2.24 1v5vA1 GLN 3 HE21 -0.04 -0.04 -0.02 -0.04 6.97 6.82 1v5vA1 GLN 3 HE22 -0.06 0.07 -0.03 -0.04 7.69 7.62 1v5vA1 MET 4 H -0.06 0.02 0.08 -0.55 8.47 7.96 1v5vA1 MET 4 HA -0.07 0.03 0.46 -0.75 4.52 4.18 1v5vA1 MET 4 HB2 -0.08 -0.03 0.13 -0.04 2.15 2.13 1v5vA1 MET 4 HB3 -0.12 -0.06 0.07 -0.04 2.03 1.88 1v5vA1 MET 4 HG2 -0.13 0.33 -0.07 -0.04 2.63 2.72 1v5vA1 MET 4 HG3 -0.08 -0.06 0.09 -0.04 2.56 2.47 1v5vA1 MET 4 HE3 -0.05 0.03 -0.08 -0.04 2.10 1.97 1v5vA1 VAL 5 H -0.11 0.06 0.20 -0.55 8.24 7.84 1v5vA1 VAL 5 HA -0.14 0.16 0.61 -0.75 4.13 4.01 1v5vA1 VAL 5 HB -0.17 -0.05 0.07 -0.04 2.12 1.94 1v5vA1 VAL 5 HG13 -0.15 0.02 -0.04 -0.04 0.97 0.76 1v5vA1 VAL 5 HG23 -0.08 0.01 0.05 -0.04 0.95 0.89 1v5vA1 LYS 6 H -0.28 0.52 0.28 -0.55 8.42 8.38 1v5vA1 LYS 6 HA -0.44 0.17 0.78 -0.75 4.32 4.08 1v5vA1 LYS 6 HB2 -1.30 -0.04 -0.11 -0.04 1.87 0.38 1v5vA1 LYS 6 HB3 -2.59 -0.03 -0.06 -0.04 1.79 -0.92 1v5vA1 LYS 6 HG2 -0.39 -0.02 -0.08 -0.04 1.46 0.93 1v5vA1 LYS 6 HG3 -0.39 0.13 -0.15 -0.04 1.46 1.01 1v5vA1 LYS 6 HD2 -0.52 0.04 -0.06 -0.04 1.69 1.11 1v5vA1 LYS 6 HD3 -0.67 -0.04 -0.03 -0.04 1.68 0.90 1v5vA1 LYS 6 HE2 0.02 -0.08 -0.02 -0.04 2.99 2.88 1v5vA1 LYS 6 HE3 -0.14 0.09 -0.02 -0.04 2.99 2.88 1v5vA1 ARG 7 H -0.16 0.35 0.16 -0.55 8.46 8.26 1v5vA1 ARG 7 HA 0.17 0.09 0.85 -0.75 4.34 4.69 1v5vA1 ARG 7 HB2 -0.49 0.05 0.03 -0.04 1.90 1.45 1v5vA1 ARG 7 HB3 -0.57 -0.02 0.02 -0.04 1.80 1.19 1v5vA1 ARG 7 HG2 -0.98 0.02 0.00 -0.04 1.67 0.67 1v5vA1 ARG 7 HG3 -0.54 -0.00 -0.56 -0.04 1.67 0.53 1v5vA1 ARG 7 HD2 -1.20 0.05 -0.08 -0.04 3.22 1.94 1v5vA1 ARG 7 HD3 -2.18 -0.05 -0.06 -0.04 3.22 0.89 1v5vA1 VAL 8 H 0.45 0.12 0.08 -0.55 8.24 8.35 1v5vA1 VAL 8 HA 0.53 0.25 0.46 -0.75 4.13 4.62 1v5vA1 VAL 8 HB 0.29 -0.08 0.06 -0.04 2.12 2.35 1v5vA1 VAL 8 HG13 0.04 0.04 -0.16 -0.04 0.97 0.85 1v5vA1 VAL 8 HG23 0.35 -0.02 -0.12 -0.04 0.95 1.12 1v5vA1 HIS 9 H 0.61 0.21 0.13 -0.55 8.41 8.82 1v5vA1 HIS 9 HA 0.24 0.07 0.44 -0.75 4.63 4.64 1v5vA1 HIS 9 HB2 0.14 -0.15 0.14 -0.04 3.26 3.36 1v5vA1 HIS 9 HB3 0.13 0.05 0.07 -0.04 3.20 3.41 1v5vA1 HIS 9 HD2 0.10 0.13 -0.41 -0.04 6.97 6.75 1v5vA1 HIS 9 HE1 0.10 0.13 -0.62 -0.04 7.75 7.31 1v5vA1 ILE 10 H 0.24 0.07 -0.16 -0.55 8.25 7.85 1v5vA1 ILE 10 HA 0.16 0.27 0.90 -0.75 4.18 4.76 1v5vA1 ILE 10 HB -0.21 -0.02 0.17 -0.04 1.89 1.79 1v5vA1 ILE 10 HG12 -0.08 -0.04 -0.01 -0.04 1.49 1.32 1v5vA1 ILE 10 HG13 -0.53 -0.01 -0.07 -0.04 1.21 0.56 1v5vA1 ILE 10 HG23 0.04 0.03 -0.12 -0.04 0.93 0.84 1v5vA1 ILE 10 HD13 -1.52 0.02 -0.04 -0.04 0.88 -0.70 1v5vA1 PHE 11 H 0.46 0.64 -0.48 -0.55 8.34 8.40 1v5vA1 PHE 11 HA 0.31 -0.01 0.34 -0.75 4.62 4.50 1v5vA1 PHE 11 HB2 0.11 0.02 0.10 -0.04 3.15 3.33 1v5vA1 PHE 11 HB3 0.19 0.05 0.06 -0.04 3.06 3.31 1v5vA1 PHE 11 HD2 0.04 0.01 -0.03 -0.04 7.28 7.26 1v5vA1 PHE 11 HE2 -0.02 0.05 -0.09 -0.04 7.38 7.28 1v5vA1 PHE 11 HZ -0.04 0.02 -0.08 -0.04 7.32 7.19 1v5vA1 ASP 12 H 0.34 0.18 -0.20 -0.55 8.40 8.17 1v5vA1 ASP 12 HA -0.04 0.09 0.35 -0.75 4.63 4.28 1v5vA1 ASP 12 HB2 0.18 -0.02 0.05 -0.04 2.71 2.87 1v5vA1 ASP 12 HB3 0.10 0.06 -0.04 -0.04 2.70 2.78 1v5vA1 TRP 13 H 0.13 0.21 -0.28 -0.55 7.97 7.48 1v5vA1 TRP 13 HA 0.03 0.09 0.41 -0.75 4.62 4.39 1v5vA1 TRP 13 HB2 -0.19 -0.05 0.10 -0.04 3.23 3.05 1v5vA1 TRP 13 HB3 -0.60 0.07 0.09 -0.04 3.23 2.75 1v5vA1 TRP 13 HD1 0.03 -0.00 -0.01 -0.04 7.22 7.20 1v5vA1 TRP 13 HE1 -0.08 0.04 -0.03 -0.04 10.20 10.08 1v5vA1 TRP 13 HE3 -0.39 -0.01 -0.37 -0.04 7.59 6.78 1v5vA1 TRP 13 HZ2 -0.37 0.05 -0.05 -0.04 7.44 7.02 1v5vA1 TRP 13 HZ3 0.07 -0.05 -0.11 -0.04 7.13 7.00 1v5vA1 TRP 13 HH2 -0.23 0.02 -0.05 -0.04 7.19 6.88 1v5vA1 HIS 14 H -0.11 0.32 -0.14 -0.55 8.41 7.94 1v5vA1 HIS 14 HA 0.30 0.01 0.43 -0.75 4.63 4.61 1v5vA1 HIS 14 HB2 -0.18 0.17 0.16 -0.04 3.26 3.37 1v5vA1 HIS 14 HB3 -0.02 -0.07 0.04 -0.04 3.20 3.11 1v5vA1 HIS 14 HD2 0.06 -0.07 -0.19 -0.04 6.97 6.73 1v5vA1 HIS 14 HE1 -0.85 -0.01 -0.03 -0.04 7.75 6.82 1v5vA1 LYS 15 H -0.38 0.57 -0.08 -0.55 8.42 7.98 1v5vA1 LYS 15 HA -0.27 -0.00 0.34 -0.75 4.32 3.64 1v5vA1 LYS 15 HB2 -0.86 -0.04 0.03 -0.04 1.87 0.97 1v5vA1 LYS 15 HB3 -0.28 0.08 0.08 -0.04 1.79 1.63 1v5vA1 LYS 15 HG2 -0.04 -0.04 -0.04 -0.04 1.46 1.29 1v5vA1 LYS 15 HG3 -0.12 0.06 -0.14 -0.04 1.46 1.22 1v5vA1 LYS 15 HD2 -0.13 0.03 0.07 -0.04 1.69 1.61 1v5vA1 LYS 15 HD3 -0.05 -0.05 -0.03 -0.04 1.68 1.51 1v5vA1 LYS 15 HE2 0.04 -0.02 -0.02 -0.04 2.99 2.94 1v5vA1 LYS 15 HE3 -0.04 0.04 -0.01 -0.04 2.99 2.94 1v5vA1 GLU 16 H -0.22 0.28 -0.45 -0.55 8.60 7.67 1v5vA1 GLU 16 HA -0.24 0.10 0.59 -0.75 4.29 3.99 1v5vA1 GLU 16 HB2 -0.21 -0.04 0.08 -0.04 2.09 1.88 1v5vA1 GLU 16 HB3 -0.38 0.07 0.16 -0.04 1.99 1.79 1v5vA1 GLU 16 HG2 -0.90 0.01 -0.16 -0.04 2.34 1.25 1v5vA1 GLU 16 HG3 -0.34 -0.01 0.07 -0.04 2.34 2.02 1v5vA1 HIS 17 H -0.23 0.23 -0.08 -0.55 8.41 7.78 1v5vA1 HIS 17 HA -0.21 0.23 0.97 -0.75 4.63 4.86 1v5vA1 HIS 17 HB2 -0.76 -0.03 0.06 -0.04 3.26 2.49 1v5vA1 HIS 17 HB3 -0.30 -0.08 0.05 -0.04 3.20 2.83 1v5vA1 HIS 17 HD2 -0.26 -0.00 0.00 -0.04 6.97 6.66 1v5vA1 HIS 17 HE1 -0.57 -0.05 -0.03 -0.04 7.75 7.06 1v5vA1 ALA 18 H -0.05 0.62 0.09 -0.55 8.40 8.51 1v5vA1 ALA 18 HA -0.18 -0.01 0.72 -0.75 4.34 4.12 1v5vA1 ALA 18 HB3 -0.35 -0.04 0.06 -0.04 1.41 1.04 1v5vA1 ARG 19 H -0.30 0.36 0.42 -0.55 8.46 8.38 1v5vA1 ARG 19 HA -0.15 0.20 0.70 -0.75 4.34 4.34 1v5vA1 ARG 19 HB2 -0.02 0.01 -0.02 -0.04 1.90 1.82 1v5vA1 ARG 19 HB3 -0.17 -0.10 -0.10 -0.04 1.80 1.39 1v5vA1 ARG 19 HG2 0.16 0.00 0.05 -0.04 1.67 1.84 1v5vA1 ARG 19 HG3 0.01 -0.03 0.11 -0.04 1.67 1.72 1v5vA1 ARG 19 HD2 0.08 0.22 0.07 -0.04 3.22 3.55 1v5vA1 ARG 19 HD3 0.05 -0.07 0.04 -0.04 3.22 3.19 1v5vA1 LYS 20 H -0.65 0.15 0.05 -0.55 8.42 7.42 1v5vA1 LYS 20 HA -0.39 0.22 0.58 -0.75 4.32 3.98 1v5vA1 LYS 20 HB2 -1.34 0.12 -0.11 -0.04 1.87 0.50 1v5vA1 LYS 20 HB3 -1.37 -0.24 0.10 -0.04 1.79 0.24 1v5vA1 LYS 20 HG2 -0.33 -0.03 -0.28 -0.04 1.46 0.78 1v5vA1 LYS 20 HG3 -0.32 0.11 0.03 -0.04 1.46 1.24 1v5vA1 LYS 20 HD2 -0.37 0.04 -0.03 -0.04 1.69 1.29 1v5vA1 LYS 20 HD3 -0.33 -0.11 -0.06 -0.04 1.68 1.13 1v5vA1 LYS 20 HE2 -0.03 -0.02 -0.09 -0.04 2.99 2.81 1v5vA1 LYS 20 HE3 -0.04 0.07 -0.03 -0.04 2.99 2.94 1v5vA1 ILE 21 H -0.19 0.33 0.08 -0.55 8.25 7.92 1v5vA1 ILE 21 HA -0.13 0.22 0.89 -0.75 4.18 4.42 1v5vA1 ILE 21 HB -0.05 0.03 0.05 -0.04 1.89 1.88 1v5vA1 ILE 21 HG12 -0.18 -0.05 -0.41 -0.04 1.49 0.82 1v5vA1 ILE 21 HG13 -0.13 0.07 -0.15 -0.04 1.21 0.96 1v5vA1 ILE 21 HG23 0.12 -0.01 -0.34 -0.04 0.93 0.66 1v5vA1 ILE 21 HD13 -0.11 0.00 -0.33 -0.04 0.88 0.39 1v5vA1 GLU 22 H -0.00 0.60 0.26 -0.55 8.60 8.92 1v5vA1 GLU 22 HA 0.03 0.13 0.67 -0.75 4.29 4.37 1v5vA1 GLU 22 HB2 0.01 0.06 0.09 -0.04 2.09 2.21 1v5vA1 GLU 22 HB3 -0.02 -0.10 -0.31 -0.04 1.99 1.52 1v5vA1 GLU 22 HG2 0.11 -0.04 -0.33 -0.04 2.34 2.04 1v5vA1 GLU 22 HG3 0.08 0.07 -0.10 -0.04 2.34 2.35 1v5vA1 GLU 23 H 0.06 0.14 0.13 -0.55 8.60 8.38 1v5vA1 GLU 23 HA 0.14 0.18 0.29 -0.75 4.29 4.14 1v5vA1 GLU 23 HB2 0.05 0.05 0.04 -0.04 2.09 2.18 1v5vA1 GLU 23 HB3 0.05 0.00 0.13 -0.04 1.99 2.14 1v5vA1 GLU 23 HG2 0.09 -0.09 -0.21 -0.04 2.34 2.08 1v5vA1 GLU 23 HG3 0.03 0.10 -0.07 -0.04 2.34 2.36 1v5vA1 PHE 24 H 0.32 0.86 0.31 -0.55 8.34 9.28 1v5vA1 PHE 24 HA 0.12 0.11 0.81 -0.75 4.62 4.90 1v5vA1 PHE 24 HB2 0.08 0.08 -0.08 -0.04 3.15 3.19 1v5vA1 PHE 24 HB3 0.11 0.01 0.18 -0.04 3.06 3.32 1v5vA1 PHE 24 HD2 0.17 0.01 -0.18 -0.04 7.28 7.23 1v5vA1 PHE 24 HE2 0.16 -0.03 -0.03 -0.04 7.38 7.44 1v5vA1 PHE 24 HZ 0.15 0.00 -0.01 -0.04 7.32 7.42 1v5vA1 ALA 25 H -0.17 0.24 0.11 -0.55 8.40 8.03 1v5vA1 ALA 25 HA 0.06 0.08 0.32 -0.75 4.34 4.04 1v5vA1 ALA 25 HB3 0.41 0.07 -0.07 -0.04 1.41 1.78 1v5vA1 GLY 26 H 0.13 0.02 -0.45 -0.55 8.43 7.58 1v5vA1 GLY 26 HA2 0.03 0.02 0.24 -0.51 4.01 3.79 1v5vA1 GLY 26 HA3 0.01 0.19 0.55 -0.51 4.01 4.25 1v5vA1 TRP 27 H 0.55 0.58 -0.47 -0.55 7.97 8.09 1v5vA1 TRP 27 HA 0.07 0.33 0.84 -0.75 4.62 5.10 1v5vA1 TRP 27 HB2 0.20 0.07 0.09 -0.04 3.23 3.55 1v5vA1 TRP 27 HB3 0.10 -0.04 -0.13 -0.04 3.23 3.11 1v5vA1 TRP 27 HD1 0.28 0.11 -0.04 -0.04 7.22 7.54 1v5vA1 TRP 27 HE1 0.43 0.04 0.07 -0.04 10.20 10.70 1v5vA1 TRP 27 HE3 0.11 -0.06 -0.45 -0.04 7.59 7.15 1v5vA1 TRP 27 HZ2 -0.24 -0.03 -0.05 -0.04 7.44 7.08 1v5vA1 TRP 27 HZ3 0.14 0.06 -0.60 -0.04 7.13 6.69 1v5vA1 TRP 27 HH2 -0.21 0.06 -0.15 -0.04 7.19 6.84 1v5vA1 GLU 28 H 0.09 0.55 0.23 -0.55 8.60 8.93 1v5vA1 GLU 28 HA 0.13 0.03 0.35 -0.75 4.29 4.05 1v5vA1 GLU 28 HB2 -0.18 0.01 0.17 -0.04 2.09 2.05 1v5vA1 GLU 28 HB3 0.22 -0.00 -0.05 -0.04 1.99 2.11 1v5vA1 GLU 28 HG2 0.03 -0.03 -0.11 -0.04 2.34 2.18 1v5vA1 GLU 28 HG3 -0.05 0.02 -0.07 -0.04 2.34 2.20 1v5vA1 MET 29 H 0.14 0.60 0.21 -0.55 8.47 8.88 1v5vA1 MET 29 HA 0.06 0.20 1.01 -0.75 4.52 5.04 1v5vA1 MET 29 HB2 -0.04 0.03 0.03 -0.04 2.15 2.13 1v5vA1 MET 29 HB3 -0.22 0.02 0.04 -0.04 2.03 1.84 1v5vA1 MET 29 HG2 0.20 0.01 -0.46 -0.04 2.63 2.34 1v5vA1 MET 29 HG3 -0.25 -0.02 -0.04 -0.04 2.56 2.21 1v5vA1 MET 29 HE3 -0.82 -0.02 0.05 -0.04 2.10 1.27 1v5vA1 PRO 30 HA -0.25 0.26 0.70 -0.51 4.44 4.64 1v5vA1 PRO 30 HB2 -0.59 -0.04 -0.01 -0.04 2.28 1.60 1v5vA1 PRO 30 HB3 -0.22 0.11 0.09 -0.04 2.02 1.95 1v5vA1 PRO 30 HG2 -0.22 -0.06 0.23 -0.04 2.03 1.94 1v5vA1 PRO 30 HG3 -0.63 0.04 0.11 -0.04 2.03 1.51 1v5vA1 PRO 30 HD2 -0.26 0.08 0.28 -0.04 3.68 3.74 1v5vA1 PRO 30 HD3 -0.21 0.17 0.19 -0.04 3.65 3.76 1v5vA1 ILE 31 H -0.29 0.85 0.45 -0.55 8.25 8.71 1v5vA1 ILE 31 HA 0.01 -0.04 0.79 -0.75 4.18 4.18 1v5vA1 ILE 31 HB -0.31 0.06 0.09 -0.04 1.89 1.68 1v5vA1 ILE 31 HG12 -0.13 0.13 -0.06 -0.04 1.49 1.38 1v5vA1 ILE 31 HG13 -0.02 0.03 -0.09 -0.04 1.21 1.09 1v5vA1 ILE 31 HG23 0.33 -0.02 -0.01 -0.04 0.93 1.19 1v5vA1 ILE 31 HD13 0.06 0.01 -0.20 -0.04 0.88 0.71 1v5vA1 TRP 32 H -0.41 0.39 0.24 -0.55 7.97 7.65 1v5vA1 TRP 32 HA -0.07 -0.05 0.37 -0.75 4.62 4.12 1v5vA1 TRP 32 HB2 0.03 -0.11 -0.09 -0.04 3.23 3.02 1v5vA1 TRP 32 HB3 0.00 0.10 -0.14 -0.04 3.23 3.15 1v5vA1 TRP 32 HD1 0.02 0.03 -0.89 -0.04 7.22 6.34 1v5vA1 TRP 32 HE1 0.00 0.18 -0.15 -0.04 10.20 10.19 1v5vA1 TRP 32 HE3 0.00 -0.05 -0.21 -0.04 7.59 7.29 1v5vA1 TRP 32 HZ2 0.00 0.10 -0.06 -0.04 7.44 7.45 1v5vA1 TRP 32 HZ3 0.02 0.04 -0.04 -0.04 7.13 7.10 1v5vA1 TRP 32 HH2 0.01 0.06 -0.03 -0.04 7.19 7.19 1v5vA1 TYR 33 H 0.45 0.02 0.12 -0.55 8.29 8.33 1v5vA1 TYR 33 HA 0.09 0.14 1.04 -0.75 4.56 5.08 1v5vA1 TYR 33 HB2 0.16 -0.01 0.14 -0.04 3.06 3.31 1v5vA1 TYR 33 HB3 0.14 0.22 0.02 -0.04 2.98 3.31 1v5vA1 TYR 33 HD2 0.14 0.10 -0.36 -0.04 7.15 6.98 1v5vA1 TYR 33 HE2 0.33 0.02 -0.43 -0.04 6.85 6.74 1v5vA1 SER 34 H 0.35 -0.07 0.18 -0.55 8.46 8.37 1v5vA1 SER 34 HA 0.20 0.29 0.86 -0.75 4.49 5.09 1v5vA1 SER 34 HB2 0.09 0.05 0.08 -0.04 3.95 4.12 1v5vA1 SER 34 HB3 0.12 0.12 0.10 -0.04 3.93 4.23 1v5vA1 SER 35 H 0.11 0.21 0.25 -0.55 8.46 8.48 1v5vA1 SER 35 HA -0.55 0.18 0.47 -0.75 4.49 3.83 1v5vA1 SER 35 HB2 -0.26 0.01 0.15 -0.04 3.95 3.82 1v5vA1 SER 35 HB3 -0.10 0.31 -0.14 -0.04 3.93 3.96 1v5vA1 ILE 36 H -0.57 0.29 0.15 -0.55 8.25 7.57 1v5vA1 ILE 36 HA 0.03 -0.00 0.50 -0.75 4.18 3.95 1v5vA1 ILE 36 HB -0.24 0.06 0.13 -0.04 1.89 1.80 1v5vA1 ILE 36 HG12 0.12 -0.09 0.05 -0.04 1.49 1.53 1v5vA1 ILE 36 HG13 -0.45 -0.02 0.06 -0.04 1.21 0.77 1v5vA1 ILE 36 HG23 -0.00 0.02 -0.19 -0.04 0.93 0.71 1v5vA1 ILE 36 HD13 0.01 0.05 0.01 -0.04 0.88 0.91 1v5vA1 LYS 37 H -0.16 0.11 -0.09 -0.55 8.42 7.73 1v5vA1 LYS 37 HA -0.07 0.10 0.39 -0.75 4.32 4.00 1v5vA1 LYS 37 HB2 -0.11 0.05 0.08 -0.04 1.87 1.85 1v5vA1 LYS 37 HB3 -0.09 -0.04 0.07 -0.04 1.79 1.69 1v5vA1 LYS 37 HG2 -0.03 0.02 -0.28 -0.04 1.46 1.12 1v5vA1 LYS 37 HG3 -0.07 0.03 0.03 -0.04 1.46 1.41 1v5vA1 LYS 37 HD2 -0.07 0.01 -0.00 -0.04 1.69 1.59 1v5vA1 LYS 37 HD3 -0.05 -0.03 -0.03 -0.04 1.68 1.53 1v5vA1 LYS 37 HE2 -0.03 -0.02 -0.05 -0.04 2.99 2.86 1v5vA1 LYS 37 HE3 -0.04 0.13 -0.00 -0.04 2.99 3.03 1v5vA1 GLU 38 H -0.04 0.03 -0.21 -0.55 8.60 7.83 1v5vA1 GLU 38 HA 0.01 0.15 0.39 -0.75 4.29 4.09 1v5vA1 GLU 38 HB2 -0.00 0.02 0.08 -0.04 2.09 2.14 1v5vA1 GLU 38 HB3 0.02 -0.10 0.12 -0.04 1.99 1.99 1v5vA1 GLU 38 HG2 0.02 0.03 -0.16 -0.04 2.34 2.19 1v5vA1 GLU 38 HG3 0.01 0.06 0.03 -0.04 2.34 2.40 1v5vA1 GLU 39 H 0.04 0.40 -0.09 -0.55 8.60 8.41 1v5vA1 GLU 39 HA 0.00 0.14 0.45 -0.75 4.29 4.13 1v5vA1 GLU 39 HB2 0.10 0.01 0.25 -0.04 2.09 2.41 1v5vA1 GLU 39 HB3 0.02 -0.04 0.07 -0.04 1.99 2.00 1v5vA1 GLU 39 HG2 0.07 0.33 0.10 -0.04 2.34 2.79 1v5vA1 GLU 39 HG3 0.10 -0.07 0.16 -0.04 2.34 2.49 1v5vA1 HIS 40 H 0.14 0.57 -0.08 -0.55 8.41 8.50 1v5vA1 HIS 40 HA 0.06 0.01 0.42 -0.75 4.63 4.36 1v5vA1 HIS 40 HB2 0.01 -0.03 0.17 -0.04 3.26 3.37 1v5vA1 HIS 40 HB3 -0.03 0.10 0.20 -0.04 3.20 3.44 1v5vA1 HIS 40 HD2 -0.08 0.06 -0.32 -0.04 6.97 6.59 1v5vA1 HIS 40 HE1 -0.04 0.18 -0.35 -0.04 7.75 7.50 1v5vA1 LEU 41 H 0.11 0.61 -0.09 -0.55 8.37 8.45 1v5vA1 LEU 41 HA 0.05 0.01 0.43 -0.75 4.35 4.09 1v5vA1 LEU 41 HB2 0.03 0.08 0.10 -0.04 1.64 1.81 1v5vA1 LEU 41 HB3 0.04 0.01 0.03 -0.04 1.64 1.68 1v5vA1 LEU 41 HG 0.06 0.07 0.06 -0.04 1.64 1.79 1v5vA1 LEU 41 HD13 0.01 0.00 -0.06 -0.04 0.93 0.84 1v5vA1 LEU 41 HD23 0.05 0.00 -0.12 -0.04 0.89 0.78 1v5vA1 ALA 42 H 0.01 0.37 -0.36 -0.55 8.40 7.89 1v5vA1 ALA 42 HA -0.00 0.07 0.43 -0.75 4.34 4.09 1v5vA1 ALA 42 HB3 -0.03 0.07 0.11 -0.04 1.41 1.52 1v5vA1 VAL 43 H -0.03 0.38 -0.28 -0.55 8.24 7.76 1v5vA1 VAL 43 HA -0.01 0.11 0.35 -0.75 4.13 3.82 1v5vA1 VAL 43 HB -0.06 0.14 0.09 -0.04 2.12 2.25 1v5vA1 VAL 43 HG13 0.03 -0.03 -0.29 -0.04 0.97 0.65 1v5vA1 VAL 43 HG23 0.13 0.02 -0.03 -0.04 0.95 1.02 1v5vA1 ARG 44 H -0.07 0.32 -0.16 -0.55 8.46 8.00 1v5vA1 ARG 44 HA -0.05 -0.02 0.46 -0.75 4.34 3.98 1v5vA1 ARG 44 HB2 -0.04 0.03 0.13 -0.04 1.90 1.98 1v5vA1 ARG 44 HB3 -0.01 0.01 0.01 -0.04 1.80 1.77 1v5vA1 ARG 44 HG2 -0.33 0.04 0.00 -0.04 1.67 1.35 1v5vA1 ARG 44 HG3 -0.19 -0.08 -0.05 -0.04 1.67 1.30 1v5vA1 ARG 44 HD2 -0.54 -0.00 -0.01 -0.04 3.22 2.63 1v5vA1 ARG 44 HD3 -0.26 -0.02 -0.00 -0.04 3.22 2.89 1v5vA1 ASN 45 H 0.02 0.43 -0.21 -0.55 8.53 8.22 1v5vA1 ASN 45 HA 0.05 0.20 0.97 -0.75 4.76 5.22 1v5vA1 ASN 45 HB2 0.04 0.07 0.07 -0.04 2.88 3.02 1v5vA1 ASN 45 HB3 0.04 -0.04 0.04 -0.04 2.79 2.79 1v5vA1 ASN 45 HD21 0.10 -0.06 -0.03 -0.04 7.03 7.00 1v5vA1 ASN 45 HD22 0.05 -0.01 -0.03 -0.04 7.74 7.72 1v5vA1 ALA 46 H 0.00 0.53 -0.04 -0.55 8.40 8.34 1v5vA1 ALA 46 HA 0.01 0.11 0.87 -0.75 4.34 4.57 1v5vA1 ALA 46 HB3 0.02 0.07 0.13 -0.04 1.41 1.59 1v5vA1 VAL 47 H -0.02 0.35 0.14 -0.55 8.24 8.16 1v5vA1 VAL 47 HA -0.04 0.26 0.65 -0.75 4.13 4.25 1v5vA1 VAL 47 HB -0.07 -0.08 -0.39 -0.04 2.12 1.54 1v5vA1 VAL 47 HG13 -0.01 0.00 -0.26 -0.04 0.97 0.67 1v5vA1 VAL 47 HG23 -0.08 -0.02 -0.22 -0.04 0.95 0.58 1v5vA1 GLY 48 H -0.06 0.56 0.36 -0.55 8.43 8.74 1v5vA1 GLY 48 HA2 -0.19 0.12 0.91 -0.51 4.01 4.35 1v5vA1 GLY 48 HA3 -0.20 -0.00 0.33 -0.51 4.01 3.63 1v5vA1 ILE 49 H -0.36 0.49 0.33 -0.55 8.25 8.16 1v5vA1 ILE 49 HA -0.14 0.38 1.24 -0.75 4.18 4.92 1v5vA1 ILE 49 HB -0.42 0.03 -0.11 -0.04 1.89 1.35 1v5vA1 ILE 49 HG12 -0.62 -0.07 -0.32 -0.04 1.49 0.43 1v5vA1 ILE 49 HG13 -0.21 0.05 -0.08 -0.04 1.21 0.92 1v5vA1 ILE 49 HG23 -0.83 -0.00 -0.03 -0.04 0.93 0.02 1v5vA1 ILE 49 HD13 -0.90 -0.00 -0.12 -0.04 0.88 -0.18 1v5vA1 PHE 50 H 0.30 0.71 0.41 -0.55 8.34 9.21 1v5vA1 PHE 50 HA 0.23 0.33 1.08 -0.75 4.62 5.52 1v5vA1 PHE 50 HB2 0.09 -0.10 0.07 -0.04 3.15 3.17 1v5vA1 PHE 50 HB3 0.12 0.03 -0.07 -0.04 3.06 3.09 1v5vA1 PHE 50 HD2 0.05 0.14 -0.13 -0.04 7.28 7.30 1v5vA1 PHE 50 HE2 0.04 -0.03 -0.21 -0.04 7.38 7.14 1v5vA1 PHE 50 HZ 0.02 0.04 -0.21 -0.04 7.32 7.13 1v5vA1 ASP 51 H 0.35 0.27 0.19 -0.55 8.40 8.65 1v5vA1 ASP 51 HA 0.54 0.18 0.95 -0.75 4.63 5.55 1v5vA1 ASP 51 HB2 -0.32 0.05 0.09 -0.04 2.71 2.49 1v5vA1 ASP 51 HB3 -0.12 0.02 0.24 -0.04 2.70 2.79 1v5vA1 VAL 52 H 0.24 0.67 0.29 -0.55 8.24 8.88 1v5vA1 VAL 52 HA 0.26 0.16 0.93 -0.75 4.13 4.73 1v5vA1 VAL 52 HB -0.04 -0.04 0.15 -0.04 2.12 2.15 1v5vA1 VAL 52 HG13 0.11 -0.01 -0.22 -0.04 0.97 0.81 1v5vA1 VAL 52 HG23 -0.01 0.01 -0.19 -0.04 0.95 0.72 1v5vA1 SER 53 H 0.08 0.09 -0.12 -0.55 8.46 7.97 1v5vA1 SER 53 HA -0.10 0.18 0.57 -0.75 4.49 4.39 1v5vA1 SER 53 HB2 0.09 -0.07 0.10 -0.04 3.95 4.03 1v5vA1 SER 53 HB3 0.12 0.18 0.25 -0.04 3.93 4.43 1v5vA1 HIS 54 H 0.12 -0.04 -0.58 -0.55 8.41 7.36 1v5vA1 HIS 54 HA -2.09 0.18 0.55 -0.75 4.63 2.51 1v5vA1 HIS 54 HB2 -2.32 0.04 0.04 -0.04 3.26 0.99 1v5vA1 HIS 54 HB3 -1.20 -0.05 -0.04 -0.04 3.20 1.87 1v5vA1 HIS 54 HD2 -0.09 0.02 -0.07 -0.04 6.97 6.77 1v5vA1 HIS 54 HE1 -0.17 0.01 0.06 -0.04 7.75 7.61 1v5vA1 MET 55 H -0.47 0.37 -0.20 -0.55 8.47 7.62 1v5vA1 MET 55 HA -0.39 -0.14 0.51 -0.75 4.52 3.74 1v5vA1 MET 55 HB2 -0.21 0.10 0.05 -0.04 2.15 2.05 1v5vA1 MET 55 HB3 -0.17 0.12 0.07 -0.04 2.03 2.00 1v5vA1 MET 55 HG2 -0.45 -0.02 0.10 -0.04 2.63 2.22 1v5vA1 MET 55 HG3 -0.20 -0.01 0.01 -0.04 2.56 2.31 1v5vA1 MET 55 HE3 -0.16 0.05 -0.10 -0.04 2.10 1.85 1v5vA1 GLY 56 H -0.09 0.32 -0.01 -0.55 8.43 8.11 1v5vA1 GLY 56 HA2 -0.54 0.08 0.50 -0.51 4.01 3.53 1v5vA1 GLY 56 HA3 -0.06 -0.08 0.24 -0.51 4.01 3.60 1v5vA1 GLU 57 H -0.20 0.09 0.19 -0.55 8.60 8.13 1v5vA1 GLU 57 HA 0.02 0.43 0.89 -0.75 4.29 4.88 1v5vA1 GLU 57 HB2 -0.07 -0.07 -0.18 -0.04 2.09 1.73 1v5vA1 GLU 57 HB3 -0.00 -0.02 -0.14 -0.04 1.99 1.78 1v5vA1 GLU 57 HG2 0.03 -0.03 -0.16 -0.04 2.34 2.13 1v5vA1 GLU 57 HG3 0.03 0.07 -0.08 -0.04 2.34 2.32 1v5vA1 ILE 58 H 0.11 0.67 0.27 -0.55 8.25 8.75 1v5vA1 ILE 58 HA 0.01 0.19 1.04 -0.75 4.18 4.67 1v5vA1 ILE 58 HB 0.26 -0.01 0.02 -0.04 1.89 2.12 1v5vA1 ILE 58 HG12 0.20 0.01 -0.07 -0.04 1.49 1.60 1v5vA1 ILE 58 HG13 0.19 -0.13 -0.45 -0.04 1.21 0.78 1v5vA1 ILE 58 HG23 -0.21 0.02 -0.21 -0.04 0.93 0.49 1v5vA1 ILE 58 HD13 0.47 0.02 -0.17 -0.04 0.88 1.17 1v5vA1 VAL 59 H -0.08 0.64 0.33 -0.55 8.24 8.57 1v5vA1 VAL 59 HA 0.13 0.32 1.19 -0.75 4.13 5.01 1v5vA1 VAL 59 HB -0.01 -0.05 0.10 -0.04 2.12 2.11 1v5vA1 VAL 59 HG13 0.06 0.02 -0.18 -0.04 0.97 0.82 1v5vA1 VAL 59 HG23 0.03 -0.01 -0.15 -0.04 0.95 0.78 1v5vA1 PHE 60 H 0.38 0.72 0.40 -0.55 8.34 9.28 1v5vA1 PHE 60 HA -0.01 0.33 1.11 -0.75 4.62 5.30 1v5vA1 PHE 60 HB2 0.10 -0.05 0.14 -0.04 3.15 3.30 1v5vA1 PHE 60 HB3 -0.03 -0.00 0.03 -0.04 3.06 3.01 1v5vA1 PHE 60 HD2 -0.09 0.07 -0.11 -0.04 7.28 7.11 1v5vA1 PHE 60 HE2 -0.22 0.00 -0.15 -0.04 7.38 6.97 1v5vA1 PHE 60 HZ -0.72 -0.02 -0.17 -0.04 7.32 6.37 1v5vA1 ARG 61 H 0.06 0.61 0.41 -0.55 8.46 8.98 1v5vA1 ARG 61 HA 0.12 0.39 1.23 -0.75 4.34 5.32 1v5vA1 ARG 61 HB2 0.02 -0.08 0.07 -0.04 1.90 1.88 1v5vA1 ARG 61 HB3 0.03 0.05 0.03 -0.04 1.80 1.87 1v5vA1 ARG 61 HG2 0.05 0.06 -0.11 -0.04 1.67 1.62 1v5vA1 ARG 61 HG3 0.04 -0.07 -0.35 -0.04 1.67 1.24 1v5vA1 ARG 61 HD2 0.01 0.05 -0.06 -0.04 3.22 3.17 1v5vA1 ARG 61 HD3 0.02 -0.00 -0.11 -0.04 3.22 3.09 1v5vA1 GLY 62 H 0.07 0.53 0.30 -0.55 8.43 8.78 1v5vA1 GLY 62 HA2 0.03 -0.00 0.38 -0.51 4.01 3.91 1v5vA1 GLY 62 HA3 0.03 0.32 0.95 -0.51 4.01 4.80 1v5vA1 LYS 63 H 0.03 0.17 0.24 -0.55 8.42 8.31 1v5vA1 LYS 63 HA 0.06 0.08 0.49 -0.75 4.32 4.19 1v5vA1 LYS 63 HB2 0.03 -0.01 0.17 -0.04 1.87 2.01 1v5vA1 LYS 63 HB3 0.03 0.04 0.12 -0.04 1.79 1.94 1v5vA1 LYS 63 HG2 0.03 0.02 0.07 -0.04 1.46 1.54 1v5vA1 LYS 63 HG3 0.02 -0.04 0.11 -0.04 1.46 1.52 1v5vA1 LYS 63 HD2 0.02 0.02 0.04 -0.04 1.69 1.73 1v5vA1 LYS 63 HD3 0.02 0.02 0.03 -0.04 1.68 1.71 1v5vA1 LYS 63 HE2 0.01 0.03 0.02 -0.04 2.99 3.01 1v5vA1 LYS 63 HE3 0.01 -0.01 0.05 -0.04 2.99 3.00 1v5vA1 ASP 64 H 0.04 0.48 -0.20 -0.55 8.40 8.17 1v5vA1 ASP 64 HA 0.04 0.18 0.81 -0.75 4.63 4.92 1v5vA1 ASP 64 HB2 0.01 0.07 -0.14 -0.04 2.71 2.61 1v5vA1 ASP 64 HB3 0.05 0.01 0.04 -0.04 2.70 2.76 1v5vA1 ALA 65 H 0.08 0.49 -0.33 -0.55 8.40 8.09 1v5vA1 ALA 65 HA 0.05 0.04 0.29 -0.75 4.34 3.97 1v5vA1 ALA 65 HB3 0.20 0.03 -0.16 -0.04 1.41 1.43 1v5vA1 LEU 66 H 0.04 0.21 -0.21 -0.55 8.37 7.87 1v5vA1 LEU 66 HA -0.45 0.09 0.30 -0.75 4.35 3.54 1v5vA1 LEU 66 HB2 0.05 0.02 -0.00 -0.04 1.64 1.67 1v5vA1 LEU 66 HB3 0.02 0.01 0.02 -0.04 1.64 1.65 1v5vA1 LEU 66 HG -0.05 0.00 -0.32 -0.04 1.64 1.23 1v5vA1 LEU 66 HD13 -0.17 -0.01 -0.21 -0.04 0.93 0.50 1v5vA1 LEU 66 HD23 0.05 0.01 -0.07 -0.04 0.89 0.85 1v5vA1 LYS 67 H 0.02 0.15 -0.23 -0.55 8.42 7.79 1v5vA1 LYS 67 HA 0.01 0.08 0.35 -0.75 4.32 4.01 1v5vA1 LYS 67 HB2 0.03 0.00 0.08 -0.04 1.87 1.93 1v5vA1 LYS 67 HB3 0.05 0.06 0.04 -0.04 1.79 1.90 1v5vA1 LYS 67 HG2 0.02 0.01 -0.13 -0.04 1.46 1.32 1v5vA1 LYS 67 HG3 0.03 0.00 0.04 -0.04 1.46 1.49 1v5vA1 LYS 67 HD2 0.02 0.00 -0.03 -0.04 1.69 1.64 1v5vA1 LYS 67 HD3 -0.01 0.01 -0.03 -0.04 1.68 1.62 1v5vA1 LYS 67 HE2 0.02 0.00 -0.00 -0.04 2.99 2.97 1v5vA1 LYS 67 HE3 0.02 -0.01 0.01 -0.04 2.99 2.97 1v5vA1 PHE 68 H 0.14 0.40 -0.33 -0.55 8.34 7.99 1v5vA1 PHE 68 HA -0.01 0.04 0.40 -0.75 4.62 4.30 1v5vA1 PHE 68 HB2 -0.02 0.05 0.04 -0.04 3.15 3.18 1v5vA1 PHE 68 HB3 -0.08 0.08 0.11 -0.04 3.06 3.14 1v5vA1 PHE 68 HD2 -0.12 0.02 -0.16 -0.04 7.28 6.98 1v5vA1 PHE 68 HE2 -0.05 -0.02 -0.17 -0.04 7.38 7.10 1v5vA1 PHE 68 HZ 0.06 0.04 0.04 -0.04 7.32 7.42 1v5vA1 LEU 69 H -0.06 0.66 -0.05 -0.55 8.37 8.37 1v5vA1 LEU 69 HA -0.33 -0.03 0.35 -0.75 4.35 3.59 1v5vA1 LEU 69 HB2 -0.42 0.09 0.06 -0.04 1.64 1.34 1v5vA1 LEU 69 HB3 -0.41 -0.04 -0.06 -0.04 1.64 1.09 1v5vA1 LEU 69 HG -0.50 0.04 -0.01 -0.04 1.64 1.14 1v5vA1 LEU 69 HD13 -0.71 -0.02 -0.16 -0.04 0.93 0.00 1v5vA1 LEU 69 HD23 -1.32 -0.02 -0.11 -0.04 0.89 -0.60 1v5vA1 GLN 70 H -0.11 0.45 -0.38 -0.55 8.47 7.88 1v5vA1 GLN 70 HA -0.10 0.05 0.48 -0.75 4.36 4.03 1v5vA1 GLN 70 HB2 0.00 0.08 0.15 -0.04 2.15 2.34 1v5vA1 GLN 70 HB3 0.04 -0.00 0.03 -0.04 2.02 2.04 1v5vA1 GLN 70 HG2 -0.11 0.07 -0.01 -0.04 2.40 2.32 1v5vA1 GLN 70 HG3 -0.03 -0.07 -0.08 -0.04 2.39 2.17 1v5vA1 GLN 70 HE21 -0.08 -0.08 0.01 -0.04 6.97 6.78 1v5vA1 GLN 70 HE22 -0.02 0.06 -0.04 -0.04 7.69 7.65 1v5vA1 TYR 71 H 0.01 0.35 -0.19 -0.55 8.29 7.91 1v5vA1 TYR 71 HA 0.03 0.31 0.92 -0.75 4.56 5.06 1v5vA1 TYR 71 HB2 -0.06 0.05 0.11 -0.04 3.06 3.12 1v5vA1 TYR 71 HB3 -0.16 0.01 0.10 -0.04 2.98 2.88 1v5vA1 TYR 71 HD2 -0.03 0.06 -0.09 -0.04 7.15 7.05 1v5vA1 TYR 71 HE2 -0.01 -0.04 -0.11 -0.04 6.85 6.65 1v5vA1 VAL 72 H -0.18 0.40 -0.05 -0.55 8.24 7.86 1v5vA1 VAL 72 HA 0.02 0.07 0.83 -0.75 4.13 4.30 1v5vA1 VAL 72 HB 0.28 -0.08 0.10 -0.04 2.12 2.38 1v5vA1 VAL 72 HG13 -0.55 0.03 -0.03 -0.04 0.97 0.37 1v5vA1 VAL 72 HG23 -0.26 0.03 -0.11 -0.04 0.95 0.57 1v5vA1 THR 73 H -0.13 0.42 -0.18 -0.55 8.28 7.84 1v5vA1 THR 73 HA -0.09 0.21 1.06 -0.75 4.39 4.80 1v5vA1 THR 73 HB -0.18 -0.11 -0.06 -0.04 4.32 3.94 1v5vA1 THR 73 HG23 -0.12 -0.03 -0.23 -0.04 1.22 0.80 1v5vA1 THR 74 H -0.32 0.38 0.30 -0.55 8.28 8.10 1v5vA1 THR 74 HA -1.04 0.19 0.56 -0.75 4.39 3.34 1v5vA1 THR 74 HB -0.77 -0.06 0.04 -0.04 4.32 3.49 1v5vA1 THR 74 HG23 -0.41 0.04 -0.08 -0.04 1.22 0.73 1v5vA1 ASN 75 H -0.28 -0.10 0.07 -0.55 8.53 7.67 1v5vA1 ASN 75 HA -0.17 0.09 0.60 -0.75 4.76 4.52 1v5vA1 ASN 75 HB2 -0.18 0.00 0.24 -0.04 2.88 2.90 1v5vA1 ASN 75 HB3 -0.14 -0.05 -0.18 -0.04 2.79 2.38 1v5vA1 ASN 75 HD21 0.10 -0.03 0.05 -0.04 7.03 7.11 1v5vA1 ASN 75 HD22 0.03 0.54 0.18 -0.04 7.74 8.45 1v5vA1 ASP 76 H -0.15 0.17 0.06 -0.55 8.40 7.93 1v5vA1 ASP 76 HA -0.20 0.14 0.58 -0.75 4.63 4.39 1v5vA1 ASP 76 HB2 -0.91 0.04 0.11 -0.04 2.71 1.90 1v5vA1 ASP 76 HB3 -0.32 0.02 0.20 -0.04 2.70 2.56 1v5vA1 ILE 77 H -0.14 0.35 0.14 -0.55 8.25 8.05 1v5vA1 ILE 77 HA -0.11 0.10 0.27 -0.75 4.18 3.69 1v5vA1 ILE 77 HB -0.19 -0.00 -0.07 -0.04 1.89 1.59 1v5vA1 ILE 77 HG12 -0.18 0.25 -0.08 -0.04 1.49 1.44 1v5vA1 ILE 77 HG13 -0.25 -0.02 -0.28 -0.04 1.21 0.61 1v5vA1 ILE 77 HG23 -0.30 -0.01 -0.10 -0.04 0.93 0.47 1v5vA1 ILE 77 HD13 -0.19 -0.04 -0.25 -0.04 0.88 0.35 1v5vA1 SER 78 H -0.10 0.02 -0.36 -0.55 8.46 7.47 1v5vA1 SER 78 HA 0.02 0.11 0.43 -0.75 4.49 4.29 1v5vA1 SER 78 HB2 -0.00 0.01 0.03 -0.04 3.95 3.95 1v5vA1 SER 78 HB3 -0.03 -0.05 -0.01 -0.04 3.93 3.80 1v5vA1 LYS 79 H -0.09 0.22 -0.42 -0.55 8.42 7.59 1v5vA1 LYS 79 HA -0.04 0.04 0.44 -0.75 4.32 4.00 1v5vA1 LYS 79 HB2 -0.13 -0.12 0.05 -0.04 1.87 1.63 1v5vA1 LYS 79 HB3 -0.07 0.14 0.08 -0.04 1.79 1.91 1v5vA1 LYS 79 HG2 -0.05 0.03 -0.24 -0.04 1.46 1.16 1v5vA1 LYS 79 HG3 -0.07 -0.04 -0.01 -0.04 1.46 1.30 1v5vA1 LYS 79 HD2 -0.08 -0.05 0.00 -0.04 1.69 1.51 1v5vA1 LYS 79 HD3 -0.05 0.02 -0.00 -0.04 1.68 1.60 1v5vA1 LYS 79 HE2 -0.08 0.02 -0.04 -0.04 2.99 2.85 1v5vA1 LYS 79 HE3 -0.05 -0.03 -0.01 -0.04 2.99 2.86 1v5vA1 PRO 80 HA 0.09 0.07 0.33 -0.51 4.44 4.43 1v5vA1 PRO 80 HB2 0.13 0.04 -0.12 -0.04 2.28 2.29 1v5vA1 PRO 80 HB3 0.17 0.04 -0.27 -0.04 2.02 1.92 1v5vA1 PRO 80 HG2 0.03 0.01 -0.05 -0.04 2.03 1.98 1v5vA1 PRO 80 HG3 0.02 0.00 -0.28 -0.04 2.03 1.73 1v5vA1 PRO 80 HD2 0.02 0.28 -0.26 -0.04 3.68 3.68 1v5vA1 PRO 80 HD3 -0.02 0.11 0.04 -0.04 3.65 3.74 1v5vA1 PRO 81 HA 0.10 0.04 0.54 -0.51 4.44 4.60 1v5vA1 PRO 81 HB2 0.17 0.05 0.01 -0.04 2.28 2.48 1v5vA1 PRO 81 HB3 0.09 0.02 0.10 -0.04 2.02 2.20 1v5vA1 PRO 81 HG2 0.55 0.01 -0.06 -0.04 2.03 2.49 1v5vA1 PRO 81 HG3 0.13 0.01 0.04 -0.04 2.03 2.16 1v5vA1 PRO 81 HD2 0.20 0.02 0.17 -0.04 3.68 4.04 1v5vA1 PRO 81 HD3 0.02 0.27 0.22 -0.04 3.65 4.11 1v5vA1 ALA 82 H 0.08 0.04 0.15 -0.55 8.40 8.12 1v5vA1 ALA 82 HA 0.05 0.22 0.62 -0.75 4.34 4.48 1v5vA1 ALA 82 HB3 0.02 -0.03 0.01 -0.04 1.41 1.36 1v5vA1 ILE 83 H -0.03 0.16 0.15 -0.55 8.25 7.97 1v5vA1 ILE 83 HA 0.02 0.27 0.61 -0.75 4.18 4.32 1v5vA1 ILE 83 HB -0.18 0.15 0.15 -0.04 1.89 1.97 1v5vA1 ILE 83 HG12 0.00 0.06 0.02 -0.04 1.49 1.53 1v5vA1 ILE 83 HG13 0.01 -0.04 -0.10 -0.04 1.21 1.03 1v5vA1 ILE 83 HG23 -0.24 -0.02 -0.19 -0.04 0.93 0.44 1v5vA1 ILE 83 HD13 -0.02 -0.02 -0.02 -0.04 0.88 0.78 1v5vA1 SER 84 H 0.14 0.35 0.34 -0.55 8.46 8.75 1v5vA1 SER 84 HA 0.20 0.09 0.73 -0.75 4.49 4.75 1v5vA1 SER 84 HB2 0.56 0.00 0.04 -0.04 3.95 4.51 1v5vA1 SER 84 HB3 0.25 0.01 -0.11 -0.04 3.93 4.04 1v5vA1 GLY 85 H 0.17 0.53 0.24 -0.55 8.43 8.83 1v5vA1 GLY 85 HA2 -0.15 0.29 1.26 -0.51 4.01 4.89 1v5vA1 GLY 85 HA3 -0.81 -0.11 0.20 -0.51 4.01 2.78 1v5vA1 THR 86 H -0.32 0.49 0.31 -0.55 8.28 8.20 1v5vA1 THR 86 HA -0.05 0.15 0.80 -0.75 4.39 4.53 1v5vA1 THR 86 HB -0.01 0.09 -0.12 -0.04 4.32 4.23 1v5vA1 THR 86 HG23 -0.12 0.01 -0.15 -0.04 1.22 0.92 1v5vA1 TYR 87 H 0.09 0.18 0.14 -0.55 8.29 8.16 1v5vA1 TYR 87 HA -0.23 0.19 0.81 -0.75 4.56 4.57 1v5vA1 TYR 87 HB2 0.03 -0.01 0.10 -0.04 3.06 3.13 1v5vA1 TYR 87 HB3 0.17 0.01 0.17 -0.04 2.98 3.29 1v5vA1 TYR 87 HD2 0.04 0.01 -0.08 -0.04 7.15 7.07 1v5vA1 TYR 87 HE2 -0.11 -0.04 -0.08 -0.04 6.85 6.58 1v5vA1 THR 88 H -0.44 0.66 0.35 -0.55 8.28 8.30 1v5vA1 THR 88 HA -0.35 0.18 0.84 -0.75 4.39 4.30 1v5vA1 THR 88 HB -0.21 0.09 -0.34 -0.04 4.32 3.82 1v5vA1 THR 88 HG23 -0.21 0.00 -0.20 -0.04 1.22 0.77 1v5vA1 LEU 89 H -0.34 0.17 0.23 -0.55 8.37 7.88 1v5vA1 LEU 89 HA -0.28 0.19 1.01 -0.75 4.35 4.52 1v5vA1 LEU 89 HB2 -0.24 0.00 0.01 -0.04 1.64 1.37 1v5vA1 LEU 89 HB3 -0.17 0.02 0.01 -0.04 1.64 1.46 1v5vA1 LEU 89 HG -0.37 0.01 -0.04 -0.04 1.64 1.20 1v5vA1 LEU 89 HD13 -0.16 0.02 -0.07 -0.04 0.93 0.68 1v5vA1 LEU 89 HD23 -0.30 -0.00 -0.11 -0.04 0.89 0.45 1v5vA1 VAL 90 H -0.14 0.54 0.30 -0.55 8.24 8.39 1v5vA1 VAL 90 HA 0.01 0.37 0.99 -0.75 4.13 4.74 1v5vA1 VAL 90 HB -0.07 -0.17 0.14 -0.04 2.12 1.97 1v5vA1 VAL 90 HG13 0.12 0.06 -0.07 -0.04 0.97 1.03 1v5vA1 VAL 90 HG23 0.19 0.01 -0.18 -0.04 0.95 0.93 1v5vA1 LEU 91 H -0.00 0.35 0.10 -0.55 8.37 8.27 1v5vA1 LEU 91 HA -0.09 0.11 1.01 -0.75 4.35 4.63 1v5vA1 LEU 91 HB2 0.04 0.29 -0.03 -0.04 1.64 1.90 1v5vA1 LEU 91 HB3 -0.01 -0.10 -0.11 -0.04 1.64 1.39 1v5vA1 LEU 91 HG -0.06 -0.00 -0.20 -0.04 1.64 1.34 1v5vA1 LEU 91 HD13 0.09 0.03 -0.10 -0.04 0.93 0.91 1v5vA1 LEU 91 HD23 -0.07 -0.01 -0.38 -0.04 0.89 0.40 1v5vA1 ASN 92 H -0.10 0.50 0.12 -0.55 8.53 8.51 1v5vA1 ASN 92 HA -0.32 0.26 0.73 -0.75 4.76 4.67 1v5vA1 ASN 92 HB2 -0.23 -0.03 0.13 -0.04 2.88 2.71 1v5vA1 ASN 92 HB3 -0.28 0.09 -0.03 -0.04 2.79 2.53 1v5vA1 ASN 92 HD21 -0.06 -0.10 -0.07 -0.04 7.03 6.75 1v5vA1 ASN 92 HD22 -0.11 0.13 -0.10 -0.04 7.74 7.61 1v5vA1 GLU 93 H -0.06 0.20 0.11 -0.55 8.60 8.30 1v5vA1 GLU 93 HA 0.06 0.06 0.32 -0.75 4.29 3.97 1v5vA1 GLU 93 HB2 0.05 0.05 0.10 -0.04 2.09 2.26 1v5vA1 GLU 93 HB3 0.10 0.05 0.13 -0.04 1.99 2.23 1v5vA1 GLU 93 HG2 0.00 -0.04 -0.09 -0.04 2.34 2.16 1v5vA1 GLU 93 HG3 0.03 0.08 -0.03 -0.04 2.34 2.38 1v5vA1 ARG 94 H -0.02 -0.04 -0.44 -0.55 8.46 7.40 1v5vA1 ARG 94 HA 0.01 0.32 1.03 -0.75 4.34 4.94 1v5vA1 ARG 94 HB2 -0.01 -0.10 -0.02 -0.04 1.90 1.74 1v5vA1 ARG 94 HB3 0.01 -0.11 0.06 -0.04 1.80 1.72 1v5vA1 ARG 94 HG2 0.01 0.18 -0.07 -0.04 1.67 1.75 1v5vA1 ARG 94 HG3 0.01 -0.09 -0.30 -0.04 1.67 1.24 1v5vA1 ARG 94 HD2 0.01 -0.05 -0.38 -0.04 3.22 2.76 1v5vA1 ARG 94 HD3 0.01 0.08 -0.06 -0.04 3.22 3.20 1v5vA1 GLY 95 H 0.00 0.50 -0.13 -0.55 8.43 8.25 1v5vA1 GLY 95 HA2 0.03 0.10 0.34 -0.51 4.01 3.97 1v5vA1 GLY 95 HA3 0.04 0.14 0.54 -0.51 4.01 4.21 1v5vA1 ALA 96 H -0.02 -0.09 -0.37 -0.55 8.40 7.38 1v5vA1 ALA 96 HA 0.01 0.22 0.17 -0.75 4.34 3.98 1v5vA1 ALA 96 HB3 -0.02 0.01 -0.28 -0.04 1.41 1.08 1v5vA1 ILE 97 H 0.02 0.61 0.17 -0.55 8.25 8.50 1v5vA1 ILE 97 HA -0.04 0.14 0.59 -0.75 4.18 4.12 1v5vA1 ILE 97 HB 0.14 -0.06 0.06 -0.04 1.89 1.98 1v5vA1 ILE 97 HG12 -0.03 -0.00 -0.12 -0.04 1.49 1.30 1v5vA1 ILE 97 HG13 0.01 0.08 0.05 -0.04 1.21 1.32 1v5vA1 ILE 97 HG23 0.02 -0.01 -0.30 -0.04 0.93 0.60 1v5vA1 ILE 97 HD13 0.03 -0.03 -0.23 -0.04 0.88 0.61 1v5vA1 LYS 98 H -0.13 0.84 0.43 -0.55 8.42 9.00 1v5vA1 LYS 98 HA -0.09 0.05 0.53 -0.75 4.32 4.06 1v5vA1 LYS 98 HB2 -0.29 0.11 -0.07 -0.04 1.87 1.58 1v5vA1 LYS 98 HB3 -0.35 -0.05 -0.05 -0.04 1.79 1.29 1v5vA1 LYS 98 HG2 -0.34 -0.06 -0.16 -0.04 1.46 0.86 1v5vA1 LYS 98 HG3 -0.32 -0.02 -0.40 -0.04 1.46 0.68 1v5vA1 LYS 98 HD2 -1.06 -0.06 -0.21 -0.04 1.69 0.33 1v5vA1 LYS 98 HD3 -1.11 0.07 -0.23 -0.04 1.68 0.37 1v5vA1 LYS 98 HE2 -1.70 0.01 -0.08 -0.04 2.99 1.18 1v5vA1 LYS 98 HE3 -0.62 -0.02 -0.11 -0.04 2.99 2.19 1v5vA1 ASP 99 H -0.23 0.33 0.12 -0.55 8.40 8.07 1v5vA1 ASP 99 HA -1.20 0.00 0.15 -0.75 4.63 2.82 1v5vA1 ASP 99 HB2 -0.46 0.29 0.06 -0.04 2.71 2.57 1v5vA1 ASP 99 HB3 -0.21 -0.01 -0.17 -0.04 2.70 2.27 1v5vA1 GLU 100 H -0.21 0.11 0.14 -0.55 8.60 8.10 1v5vA1 GLU 100 HA -0.22 0.13 0.75 -0.75 4.29 4.20 1v5vA1 GLU 100 HB2 0.08 -0.07 0.09 -0.04 2.09 2.15 1v5vA1 GLU 100 HB3 0.12 0.11 -0.01 -0.04 1.99 2.17 1v5vA1 GLU 100 HG2 0.07 0.07 -0.09 -0.04 2.34 2.35 1v5vA1 GLU 100 HG3 0.15 -0.12 -0.11 -0.04 2.34 2.21 1v5vA1 THR 101 H -0.36 0.55 0.29 -0.55 8.28 8.21 1v5vA1 THR 101 HA -0.07 0.18 0.95 -0.75 4.39 4.70 1v5vA1 THR 101 HB -0.02 0.08 0.00 -0.04 4.32 4.34 1v5vA1 THR 101 HG23 -0.02 -0.03 -0.43 -0.04 1.22 0.70 1v5vA1 LEU 102 H -0.08 0.61 0.32 -0.55 8.37 8.67 1v5vA1 LEU 102 HA -0.30 0.22 0.88 -0.75 4.35 4.40 1v5vA1 LEU 102 HB2 -0.18 -0.01 -0.08 -0.04 1.64 1.33 1v5vA1 LEU 102 HB3 -0.14 -0.05 0.14 -0.04 1.64 1.56 1v5vA1 LEU 102 HG -0.99 0.00 -0.32 -0.04 1.64 0.29 1v5vA1 LEU 102 HD13 -1.11 0.05 -0.27 -0.04 0.93 -0.45 1v5vA1 LEU 102 HD23 -0.16 -0.00 -0.13 -0.04 0.89 0.55 1v5vA1 VAL 103 H -0.31 0.69 0.26 -0.55 8.24 8.33 1v5vA1 VAL 103 HA -0.08 0.25 1.12 -0.75 4.13 4.67 1v5vA1 VAL 103 HB -0.17 0.04 0.08 -0.04 2.12 2.03 1v5vA1 VAL 103 HG13 -0.03 -0.01 -0.30 -0.04 0.97 0.59 1v5vA1 VAL 103 HG23 -0.15 -0.02 -0.22 -0.04 0.95 0.51 1v5vA1 PHE 104 H 0.14 0.78 0.31 -0.55 8.34 9.03 1v5vA1 PHE 104 HA -0.03 0.26 0.80 -0.75 4.62 4.90 1v5vA1 PHE 104 HB2 -0.13 -0.09 0.08 -0.04 3.15 2.97 1v5vA1 PHE 104 HB3 -0.13 0.06 -0.26 -0.04 3.06 2.68 1v5vA1 PHE 104 HD2 -0.15 0.06 -0.25 -0.04 7.28 6.90 1v5vA1 PHE 104 HE2 -0.10 0.08 -0.21 -0.04 7.38 7.11 1v5vA1 PHE 104 HZ -0.02 -0.05 -0.20 -0.04 7.32 7.01 1v5vA1 ASN 105 H 0.14 0.84 0.32 -0.55 8.53 9.27 1v5vA1 ASN 105 HA -0.15 0.05 0.75 -0.75 4.76 4.65 1v5vA1 ASN 105 HB2 0.18 0.12 0.08 -0.04 2.88 3.22 1v5vA1 ASN 105 HB3 0.09 0.13 0.06 -0.04 2.79 3.03 1v5vA1 ASN 105 HD21 0.03 -0.17 0.03 -0.04 7.03 6.88 1v5vA1 ASN 105 HD22 0.08 0.59 0.05 -0.04 7.74 8.42 1v5vA1 MET 106 H -0.24 0.66 0.34 -0.55 8.47 8.69 1v5vA1 MET 106 HA -0.04 0.07 0.61 -0.75 4.52 4.41 1v5vA1 MET 106 HB2 -0.06 0.11 -0.08 -0.04 2.15 2.08 1v5vA1 MET 106 HB3 0.05 -0.04 0.05 -0.04 2.03 2.05 1v5vA1 MET 106 HG2 -0.01 0.02 -0.15 -0.04 2.63 2.45 1v5vA1 MET 106 HG3 -0.00 -0.04 -0.21 -0.04 2.56 2.27 1v5vA1 MET 106 HE3 -0.19 -0.00 -0.09 -0.04 2.10 1.78 1v5vA1 GLY 107 H -0.19 0.03 -0.17 -0.55 8.43 7.56 1v5vA1 GLY 107 HA2 -0.06 -0.01 0.35 -0.51 4.01 3.78 1v5vA1 GLY 107 HA3 -0.02 0.20 0.59 -0.51 4.01 4.27 1v5vA1 ASN 108 H -0.02 0.16 0.15 -0.55 8.53 8.27 1v5vA1 ASN 108 HA -0.01 0.03 0.33 -0.75 4.76 4.36 1v5vA1 ASN 108 HB2 -0.01 0.01 -0.14 -0.04 2.88 2.69 1v5vA1 ASN 108 HB3 -0.02 0.15 0.02 -0.04 2.79 2.90 1v5vA1 ASN 108 HD21 -0.01 -0.01 0.01 -0.04 7.03 6.97 1v5vA1 ASN 108 HD22 -0.02 0.03 -0.00 -0.04 7.74 7.70 1v5vA1 ASN 109 H -0.06 0.03 -0.24 -0.55 8.53 7.72 1v5vA1 ASN 109 HA 0.01 0.01 0.22 -0.75 4.76 4.24 1v5vA1 ASN 109 HB2 0.03 0.15 -0.07 -0.04 2.88 2.95 1v5vA1 ASN 109 HB3 0.09 0.12 0.08 -0.04 2.79 3.05 1v5vA1 ASN 109 HD21 0.03 0.03 -0.06 -0.04 7.03 6.99 1v5vA1 ASN 109 HD22 0.03 0.00 -0.16 -0.04 7.74 7.57 1v5vA1 GLU 110 H -0.24 0.31 -0.33 -0.55 8.60 7.79 1v5vA1 GLU 110 HA 0.04 0.31 1.16 -0.75 4.29 5.05 1v5vA1 GLU 110 HB2 -0.01 0.01 -0.08 -0.04 2.09 1.97 1v5vA1 GLU 110 HB3 -0.05 0.11 -0.03 -0.04 1.99 1.99 1v5vA1 GLU 110 HG2 0.02 -0.06 -0.33 -0.04 2.34 1.93 1v5vA1 GLU 110 HG3 0.05 0.01 -0.05 -0.04 2.34 2.32 1v5vA1 TYR 111 H 0.24 0.72 0.39 -0.55 8.29 9.09 1v5vA1 TYR 111 HA 0.07 0.27 1.11 -0.75 4.56 5.26 1v5vA1 TYR 111 HB2 0.06 -0.07 0.06 -0.04 3.06 3.06 1v5vA1 TYR 111 HB3 -0.01 0.05 -0.05 -0.04 2.98 2.92 1v5vA1 TYR 111 HD2 0.01 0.10 -0.26 -0.04 7.15 6.97 1v5vA1 TYR 111 HE2 0.00 0.07 -0.16 -0.04 6.85 6.72 1v5vA1 LEU 112 H 0.17 0.58 0.29 -0.55 8.37 8.86 1v5vA1 LEU 112 HA 0.16 0.18 1.02 -0.75 4.35 4.95 1v5vA1 LEU 112 HB2 -0.00 0.01 -0.08 -0.04 1.64 1.53 1v5vA1 LEU 112 HB3 0.03 -0.01 0.09 -0.04 1.64 1.71 1v5vA1 LEU 112 HG 0.04 -0.01 -0.42 -0.04 1.64 1.21 1v5vA1 LEU 112 HD13 0.00 0.01 -0.15 -0.04 0.93 0.76 1v5vA1 LEU 112 HD23 -0.46 0.00 -0.16 -0.04 0.89 0.23 1v5vA1 MET 113 H 0.23 0.77 0.34 -0.55 8.47 9.25 1v5vA1 MET 113 HA 0.09 0.31 1.12 -0.75 4.52 5.29 1v5vA1 MET 113 HB2 0.20 -0.00 -0.07 -0.04 2.15 2.24 1v5vA1 MET 113 HB3 0.38 -0.01 0.13 -0.04 2.03 2.49 1v5vA1 MET 113 HG2 0.16 -0.07 -0.59 -0.04 2.63 2.09 1v5vA1 MET 113 HG3 0.06 0.05 -0.21 -0.04 2.56 2.42 1v5vA1 MET 113 HE3 -0.07 0.02 -0.19 -0.04 2.10 1.81 1v5vA1 ILE 114 H 0.05 0.78 0.36 -0.55 8.25 8.89 1v5vA1 ILE 114 HA 0.06 0.35 0.92 -0.75 4.18 4.76 1v5vA1 ILE 114 HB 0.07 -0.08 0.15 -0.04 1.89 1.99 1v5vA1 ILE 114 HG12 0.27 0.05 -0.11 -0.04 1.49 1.65 1v5vA1 ILE 114 HG13 0.38 -0.03 -0.11 -0.04 1.21 1.41 1v5vA1 ILE 114 HG23 0.06 0.01 -0.11 -0.04 0.93 0.85 1v5vA1 ILE 114 HD13 0.08 0.01 -0.22 -0.04 0.88 0.72 1v5vA1 CYS 115 H 0.03 0.56 0.17 -0.55 8.50 8.71 1v5vA1 CYS 115 HA 0.00 0.27 0.93 -0.75 4.58 5.03 1v5vA1 CYS 115 HB2 0.06 -0.10 0.04 -0.04 2.97 2.93 1v5vA1 CYS 115 HB3 0.10 0.07 -0.21 -0.04 2.97 2.88 1v5vA1 ASP 116 H -0.01 0.19 0.16 -0.55 8.40 8.20 1v5vA1 ASP 116 HA -0.02 0.15 0.56 -0.75 4.63 4.57 1v5vA1 ASP 116 HB2 0.02 0.02 0.15 -0.04 2.71 2.86 1v5vA1 ASP 116 HB3 0.12 -0.07 0.09 -0.04 2.70 2.80 1v5vA1 SER 117 H 0.00 0.19 0.23 -0.55 8.46 8.34 1v5vA1 SER 117 HA 0.34 0.18 0.57 -0.75 4.49 4.82 1v5vA1 SER 117 HB2 -0.38 -0.03 -0.11 -0.04 3.95 3.38 1v5vA1 SER 117 HB3 0.24 0.00 0.09 -0.04 3.93 4.21 1v5vA1 ASP 118 H 0.20 0.06 -0.14 -0.55 8.40 7.97 1v5vA1 ASP 118 HA 0.16 0.24 0.63 -0.75 4.63 4.91 1v5vA1 ASP 118 HB2 0.08 0.06 0.20 -0.04 2.71 3.00 1v5vA1 ASP 118 HB3 0.08 -0.04 0.11 -0.04 2.70 2.81 1v5vA1 ALA 119 H 0.17 0.32 -0.57 -0.55 8.40 7.77 1v5vA1 ALA 119 HA 0.02 0.23 0.95 -0.75 4.34 4.78 1v5vA1 ALA 119 HB3 -0.07 0.02 -0.00 -0.04 1.41 1.32 1v5vA1 PHE 120 H 0.27 0.36 0.09 -0.55 8.34 8.52 1v5vA1 PHE 120 HA 0.09 0.04 0.34 -0.75 4.62 4.33 1v5vA1 PHE 120 HB2 0.08 -0.06 0.04 -0.04 3.15 3.17 1v5vA1 PHE 120 HB3 0.06 0.11 0.08 -0.04 3.06 3.26 1v5vA1 PHE 120 HD2 0.10 0.00 -0.02 -0.04 7.28 7.32 1v5vA1 PHE 120 HE2 0.31 0.05 0.03 -0.04 7.38 7.73 1v5vA1 PHE 120 HZ 0.00 0.04 -0.02 -0.04 7.32 7.31 1v5vA1 GLU 121 H -0.65 0.20 -0.19 -0.55 8.60 7.42 1v5vA1 GLU 121 HA -0.02 0.07 0.45 -0.75 4.29 4.03 1v5vA1 GLU 121 HB2 -0.26 0.02 0.04 -0.04 2.09 1.86 1v5vA1 GLU 121 HB3 -0.10 0.05 -0.00 -0.04 1.99 1.90 1v5vA1 GLU 121 HG2 -0.21 0.01 0.02 -0.04 2.34 2.11 1v5vA1 GLU 121 HG3 -1.48 -0.07 0.02 -0.04 2.34 0.77 1v5vA1 LYS 122 H -0.06 0.13 -0.24 -0.55 8.42 7.69 1v5vA1 LYS 122 HA 0.03 0.07 0.42 -0.75 4.32 4.09 1v5vA1 LYS 122 HB2 -0.02 0.02 0.10 -0.04 1.87 1.93 1v5vA1 LYS 122 HB3 -0.04 0.14 0.15 -0.04 1.79 2.01 1v5vA1 LYS 122 HG2 -0.11 -0.02 -0.27 -0.04 1.46 1.01 1v5vA1 LYS 122 HG3 -0.04 -0.02 0.02 -0.04 1.46 1.37 1v5vA1 LYS 122 HD2 -0.13 -0.04 -0.01 -0.04 1.69 1.47 1v5vA1 LYS 122 HD3 -0.04 0.02 0.03 -0.04 1.68 1.66 1v5vA1 LYS 122 HE2 -0.04 -0.01 0.11 -0.04 2.99 3.00 1v5vA1 LYS 122 HE3 -0.16 -0.03 0.01 -0.04 2.99 2.76 1v5vA1 LEU 123 H 0.03 0.55 -0.11 -0.55 8.37 8.29 1v5vA1 LEU 123 HA -0.16 0.04 0.35 -0.75 4.35 3.82 1v5vA1 LEU 123 HB2 0.17 0.03 0.05 -0.04 1.64 1.85 1v5vA1 LEU 123 HB3 0.11 -0.02 -0.11 -0.04 1.64 1.57 1v5vA1 LEU 123 HG -0.04 0.17 -0.08 -0.04 1.64 1.64 1v5vA1 LEU 123 HD13 0.15 -0.03 -0.18 -0.04 0.93 0.83 1v5vA1 LEU 123 HD23 -0.19 -0.01 -0.16 -0.04 0.89 0.48 1v5vA1 TYR 124 H 0.28 0.62 -0.17 -0.55 8.29 8.46 1v5vA1 TYR 124 HA 0.23 -0.00 0.36 -0.75 4.56 4.39 1v5vA1 TYR 124 HB2 0.20 -0.01 0.10 -0.04 3.06 3.32 1v5vA1 TYR 124 HB3 0.13 0.10 0.15 -0.04 2.98 3.31 1v5vA1 TYR 124 HD2 0.07 0.01 -0.09 -0.04 7.15 7.10 1v5vA1 TYR 124 HE2 -0.01 0.06 -0.12 -0.04 6.85 6.74 1v5vA1 ALA 125 H 0.16 0.51 -0.20 -0.55 8.40 8.32 1v5vA1 ALA 125 HA -0.08 0.01 0.46 -0.75 4.34 3.98 1v5vA1 ALA 125 HB3 0.18 0.03 0.11 -0.04 1.41 1.68 1v5vA1 TRP 126 H 0.22 0.62 -0.10 -0.55 7.97 8.17 1v5vA1 TRP 126 HA 0.01 0.00 0.41 -0.75 4.62 4.29 1v5vA1 TRP 126 HB2 -0.18 0.05 0.08 -0.04 3.23 3.14 1v5vA1 TRP 126 HB3 -0.54 0.13 0.21 -0.04 3.23 3.00 1v5vA1 TRP 126 HD1 -0.96 -0.01 -0.08 -0.04 7.22 6.12 1v5vA1 TRP 126 HE1 0.05 0.10 -0.02 -0.04 10.20 10.29 1v5vA1 TRP 126 HE3 0.01 0.01 0.03 -0.04 7.59 7.59 1v5vA1 TRP 126 HZ2 0.02 0.04 -0.01 -0.04 7.44 7.46 1v5vA1 TRP 126 HZ3 0.02 0.00 -0.01 -0.04 7.13 7.10 1v5vA1 TRP 126 HH2 0.03 -0.03 -0.00 -0.04 7.19 7.14 1v5vA1 PHE 127 H -0.13 0.72 -0.00 -0.55 8.34 8.38 1v5vA1 PHE 127 HA -0.04 0.03 0.47 -0.75 4.62 4.33 1v5vA1 PHE 127 HB2 0.09 0.06 0.06 -0.04 3.15 3.32 1v5vA1 PHE 127 HB3 0.32 -0.05 -0.05 -0.04 3.06 3.24 1v5vA1 PHE 127 HD2 0.23 -0.03 -0.13 -0.04 7.28 7.30 1v5vA1 PHE 127 HE2 0.34 0.01 -0.13 -0.04 7.38 7.55 1v5vA1 PHE 127 HZ 0.21 -0.01 -0.14 -0.04 7.32 7.34 1v5vA1 THR 128 H -0.14 0.61 -0.20 -0.55 8.28 8.00 1v5vA1 THR 128 HA -0.21 -0.00 0.44 -0.75 4.39 3.86 1v5vA1 THR 128 HB -0.48 0.09 0.18 -0.04 4.32 4.07 1v5vA1 THR 128 HG23 -0.41 -0.02 -0.07 -0.04 1.22 0.67 1v5vA1 TYR 129 H -0.06 0.71 -0.09 -0.55 8.29 8.31 1v5vA1 TYR 129 HA -0.05 0.03 0.58 -0.75 4.56 4.36 1v5vA1 TYR 129 HB2 -0.01 0.20 0.17 -0.04 3.06 3.38 1v5vA1 TYR 129 HB3 -0.02 -0.05 0.02 -0.04 2.98 2.89 1v5vA1 TYR 129 HD2 0.01 0.02 0.03 -0.04 7.15 7.17 1v5vA1 TYR 129 HE2 0.01 -0.01 -0.01 -0.04 6.85 6.80 1v5vA1 LEU 130 H -0.13 0.49 -0.23 -0.55 8.37 7.96 1v5vA1 LEU 130 HA -0.11 0.02 0.48 -0.75 4.35 3.99 1v5vA1 LEU 130 HB2 0.01 0.09 0.17 -0.04 1.64 1.87 1v5vA1 LEU 130 HB3 -0.05 -0.05 -0.00 -0.04 1.64 1.50 1v5vA1 LEU 130 HG -1.37 0.18 0.06 -0.04 1.64 0.47 1v5vA1 LEU 130 HD13 -0.99 -0.03 -0.07 -0.04 0.93 -0.19 1v5vA1 LEU 130 HD23 -0.47 -0.02 0.00 -0.04 0.89 0.36 1v5vA1 LYS 131 H 0.04 0.56 -0.17 -0.55 8.42 8.30 1v5vA1 LYS 131 HA 0.05 -0.01 0.40 -0.75 4.32 4.01 1v5vA1 LYS 131 HB2 -0.30 -0.03 0.07 -0.04 1.87 1.56 1v5vA1 LYS 131 HB3 -0.13 0.16 0.21 -0.04 1.79 2.00 1v5vA1 LYS 131 HG2 -0.09 0.02 -0.27 -0.04 1.46 1.08 1v5vA1 LYS 131 HG3 -0.14 -0.07 -0.03 -0.04 1.46 1.18 1v5vA1 LYS 131 HD2 -0.22 -0.07 -0.14 -0.04 1.69 1.21 1v5vA1 LYS 131 HD3 -0.17 -0.00 0.00 -0.04 1.68 1.48 1v5vA1 LYS 131 HE2 -0.09 0.04 0.05 -0.04 2.99 2.96 1v5vA1 LYS 131 HE3 -0.09 -0.07 0.10 -0.04 2.99 2.88 1v5vA1 ARG 132 H -0.03 0.56 -0.09 -0.55 8.46 8.35 1v5vA1 ARG 132 HA -0.01 0.01 0.41 -0.75 4.34 4.00 1v5vA1 ARG 132 HB2 0.07 0.05 0.14 -0.04 1.90 2.12 1v5vA1 ARG 132 HB3 0.04 -0.03 0.01 -0.04 1.80 1.79 1v5vA1 ARG 132 HG2 -0.06 -0.04 0.04 -0.04 1.67 1.57 1v5vA1 ARG 132 HG3 -0.13 0.14 0.10 -0.04 1.67 1.74 1v5vA1 ARG 132 HD2 -0.32 -0.01 -0.06 -0.04 3.22 2.79 1v5vA1 ARG 132 HD3 -0.02 -0.02 -0.01 -0.04 3.22 3.14 1v5vA1 THR 133 H 0.07 0.47 -0.36 -0.55 8.28 7.92 1v5vA1 THR 133 HA 0.08 0.02 0.45 -0.75 4.39 4.19 1v5vA1 THR 133 HB 0.06 0.12 0.19 -0.04 4.32 4.65 1v5vA1 THR 133 HG23 0.13 -0.03 -0.06 -0.04 1.22 1.22 1v5vA1 ILE 134 H 0.09 0.49 -0.13 -0.55 8.25 8.15 1v5vA1 ILE 134 HA 0.17 0.00 0.40 -0.75 4.18 3.99 1v5vA1 ILE 134 HB 0.08 0.15 0.16 -0.04 1.89 2.23 1v5vA1 ILE 134 HG12 0.06 -0.06 0.02 -0.04 1.49 1.47 1v5vA1 ILE 134 HG13 0.10 0.19 0.12 -0.04 1.21 1.58 1v5vA1 ILE 134 HG23 0.07 -0.02 -0.13 -0.04 0.93 0.81 1v5vA1 ILE 134 HD13 0.21 -0.04 -0.06 -0.04 0.88 0.95 1v5vA1 GLU 135 H 0.03 0.51 -0.14 -0.55 8.60 8.45 1v5vA1 GLU 135 HA 0.02 0.38 0.49 -0.75 4.29 4.42 1v5vA1 GLU 135 HB2 -0.02 0.05 0.12 -0.04 2.09 2.20 1v5vA1 GLU 135 HB3 -0.02 -0.08 0.13 -0.04 1.99 1.98 1v5vA1 GLU 135 HG2 -0.01 -0.08 0.09 -0.04 2.34 2.30 1v5vA1 GLU 135 HG3 -0.01 0.23 0.09 -0.04 2.34 2.61 1v5vA1 GLN 136 H -0.03 0.40 -0.66 -0.55 8.47 7.63 1v5vA1 GLN 136 HA -0.21 0.01 0.53 -0.75 4.36 3.95 1v5vA1 GLN 136 HB2 -0.41 0.24 0.14 -0.04 2.15 2.07 1v5vA1 GLN 136 HB3 -0.73 -0.10 0.07 -0.04 2.02 1.23 1v5vA1 GLN 136 HG2 -0.07 0.26 0.08 -0.04 2.40 2.63 1v5vA1 GLN 136 HG3 -0.10 -0.09 0.06 -0.04 2.39 2.21 1v5vA1 GLN 136 HE21 -0.11 -0.05 0.03 -0.04 6.97 6.80 1v5vA1 GLN 136 HE22 -0.21 -0.01 0.04 -0.04 7.69 7.47 1v5vA1 PHE 137 H 0.05 0.50 -0.14 -0.55 8.34 8.20 1v5vA1 PHE 137 HA 0.00 0.16 0.96 -0.75 4.62 4.99 1v5vA1 PHE 137 HB2 -0.00 0.09 0.09 -0.04 3.15 3.29 1v5vA1 PHE 137 HB3 -0.00 -0.08 0.08 -0.04 3.06 3.02 1v5vA1 PHE 137 HD2 0.00 0.08 0.04 -0.04 7.28 7.36 1v5vA1 PHE 137 HE2 0.00 -0.02 -0.01 -0.04 7.38 7.31 1v5vA1 PHE 137 HZ 0.00 -0.05 -0.02 -0.04 7.32 7.22 1v5vA1 THR 138 H 0.07 0.37 0.12 -0.55 8.28 8.29 1v5vA1 THR 138 HA 0.04 0.06 0.52 -0.75 4.39 4.26 1v5vA1 THR 138 HB 0.07 0.09 -0.15 -0.04 4.32 4.29 1v5vA1 THR 138 HG23 0.06 0.00 -0.21 -0.04 1.22 1.04 1v5vA1 LYS 139 H 0.02 0.09 0.13 -0.55 8.42 8.11 1v5vA1 LYS 139 HA 0.00 0.13 0.64 -0.75 4.32 4.33 1v5vA1 LYS 139 HB2 0.01 -0.03 0.10 -0.04 1.87 1.90 1v5vA1 LYS 139 HB3 0.00 0.01 0.02 -0.04 1.79 1.79 1v5vA1 LYS 139 HG2 -0.01 0.05 0.03 -0.04 1.46 1.50 1v5vA1 LYS 139 HG3 0.00 -0.00 0.02 -0.04 1.46 1.44 1v5vA1 LYS 139 HD2 0.00 -0.02 0.01 -0.04 1.69 1.64 1v5vA1 LYS 139 HD3 -0.00 -0.01 0.01 -0.04 1.68 1.64 1v5vA1 LYS 139 HE2 -0.00 -0.02 0.00 -0.04 2.99 2.93 1v5vA1 LYS 139 HE3 -0.01 0.01 0.00 -0.04 2.99 2.96 1v5vA1 LEU 140 H -0.01 0.23 0.23 -0.55 8.37 8.28 1v5vA1 LEU 140 HA 0.01 0.18 0.86 -0.75 4.35 4.64 1v5vA1 LEU 140 HB2 -0.02 0.03 0.02 -0.04 1.64 1.63 1v5vA1 LEU 140 HB3 -0.02 -0.09 -0.11 -0.04 1.64 1.38 1v5vA1 LEU 140 HG 0.02 0.14 -0.36 -0.04 1.64 1.40 1v5vA1 LEU 140 HD13 0.00 -0.00 -0.06 -0.04 0.93 0.83 1v5vA1 LEU 140 HD23 0.03 0.02 -0.10 -0.04 0.89 0.81 1v5vA1 ASP 141 H 0.00 0.18 0.01 -0.55 8.40 8.05 1v5vA1 ASP 141 HA -0.01 0.24 0.85 -0.75 4.63 4.96 1v5vA1 ASP 141 HB2 0.01 0.11 0.06 -0.04 2.71 2.85 1v5vA1 ASP 141 HB3 0.01 -0.13 0.29 -0.04 2.70 2.83 1v5vA1 LEU 142 H -0.03 0.41 -0.18 -0.55 8.37 8.02 1v5vA1 LEU 142 HA -0.02 0.32 0.82 -0.75 4.35 4.72 1v5vA1 LEU 142 HB2 -0.07 -0.06 -0.35 -0.04 1.64 1.12 1v5vA1 LEU 142 HB3 -0.11 0.01 -0.11 -0.04 1.64 1.39 1v5vA1 LEU 142 HG -0.24 0.00 -0.40 -0.04 1.64 0.96 1v5vA1 LEU 142 HD13 -0.05 0.01 -0.12 -0.04 0.93 0.73 1v5vA1 LEU 142 HD23 -0.67 0.01 -0.15 -0.04 0.89 0.03 1v5vA1 GLU 143 H -0.02 0.64 0.37 -0.55 8.60 9.05 1v5vA1 GLU 143 HA -0.06 0.18 0.91 -0.75 4.29 4.57 1v5vA1 GLU 143 HB2 -0.01 -0.05 0.12 -0.04 2.09 2.10 1v5vA1 GLU 143 HB3 -0.02 0.02 -0.01 -0.04 1.99 1.94 1v5vA1 GLU 143 HG2 -0.01 -0.05 -0.19 -0.04 2.34 2.04 1v5vA1 GLU 143 HG3 -0.01 0.01 -0.06 -0.04 2.34 2.24 1v5vA1 ILE 144 H -0.08 0.26 0.13 -0.55 8.25 8.01 1v5vA1 ILE 144 HA -0.30 0.37 1.06 -0.75 4.18 4.56 1v5vA1 ILE 144 HB -0.16 -0.01 0.11 -0.04 1.89 1.79 1v5vA1 ILE 144 HG12 -0.32 0.04 -0.12 -0.04 1.49 1.05 1v5vA1 ILE 144 HG13 -0.24 -0.09 -0.46 -0.04 1.21 0.39 1v5vA1 ILE 144 HG23 -0.31 -0.01 -0.18 -0.04 0.93 0.39 1v5vA1 ILE 144 HD13 -0.32 -0.00 -0.18 -0.04 0.88 0.33 1v5vA1 GLU 145 H -0.12 0.64 0.28 -0.55 8.60 8.86 1v5vA1 GLU 145 HA 0.08 0.18 1.06 -0.75 4.29 4.86 1v5vA1 GLU 145 HB2 -0.00 0.00 -0.12 -0.04 2.09 1.93 1v5vA1 GLU 145 HB3 -0.01 -0.04 0.04 -0.04 1.99 1.94 1v5vA1 GLU 145 HG2 0.00 0.08 -0.32 -0.04 2.34 2.06 1v5vA1 GLU 145 HG3 0.01 0.01 0.03 -0.04 2.34 2.35 1v5vA1 LEU 146 H -0.15 0.21 0.20 -0.55 8.37 8.07 1v5vA1 LEU 146 HA -0.11 0.12 0.79 -0.75 4.35 4.39 1v5vA1 LEU 146 HB2 -1.21 0.04 0.14 -0.04 1.64 0.57 1v5vA1 LEU 146 HB3 -0.35 0.03 0.22 -0.04 1.64 1.50 1v5vA1 LEU 146 HG -0.04 -0.12 -0.08 -0.04 1.64 1.35 1v5vA1 LEU 146 HD13 0.06 0.04 0.09 -0.04 0.93 1.07 1v5vA1 LEU 146 HD23 -0.01 0.02 0.01 -0.04 0.89 0.87 1v5vA1 LYS 147 H -0.05 0.72 0.40 -0.55 8.42 8.94 1v5vA1 LYS 147 HA 0.04 0.20 0.93 -0.75 4.32 4.74 1v5vA1 LYS 147 HB2 -0.00 0.03 -0.09 -0.04 1.87 1.77 1v5vA1 LYS 147 HB3 0.03 -0.02 0.06 -0.04 1.79 1.82 1v5vA1 LYS 147 HG2 0.00 -0.00 -0.51 -0.04 1.46 0.91 1v5vA1 LYS 147 HG3 0.02 0.01 -0.16 -0.04 1.46 1.29 1v5vA1 LYS 147 HD2 0.05 0.07 -0.06 -0.04 1.69 1.70 1v5vA1 LYS 147 HD3 0.03 0.00 -0.15 -0.04 1.68 1.52 1v5vA1 LYS 147 HE2 0.04 0.01 -0.09 -0.04 2.99 2.91 1v5vA1 LYS 147 HE3 0.06 -0.06 -0.05 -0.04 2.99 2.90 1v5vA1 THR 148 H -0.17 0.11 0.16 -0.55 8.28 7.84 1v5vA1 THR 148 HA -0.23 0.16 0.43 -0.75 4.39 3.99 1v5vA1 THR 148 HB -0.85 -0.05 0.10 -0.04 4.32 3.49 1v5vA1 THR 148 HG23 -0.83 0.12 -0.15 -0.04 1.22 0.31 1v5vA1 TYR 149 H -0.07 0.03 -0.17 -0.55 8.29 7.54 1v5vA1 TYR 149 HA 0.11 0.19 0.55 -0.75 4.56 4.66 1v5vA1 TYR 149 HB2 -0.48 -0.02 0.03 -0.04 3.06 2.54 1v5vA1 TYR 149 HB3 -0.49 0.01 0.11 -0.04 2.98 2.57 1v5vA1 TYR 149 HD2 -0.07 0.03 0.00 -0.04 7.15 7.07 1v5vA1 TYR 149 HE2 -0.21 -0.01 -0.01 -0.04 6.85 6.58 1v5vA1 ASP 150 H 0.14 0.17 -0.37 -0.55 8.40 7.79 1v5vA1 ASP 150 HA 0.30 0.17 0.72 -0.75 4.63 5.07 1v5vA1 ASP 150 HB2 0.12 0.06 0.08 -0.04 2.71 2.93 1v5vA1 ASP 150 HB3 0.15 -0.03 0.08 -0.04 2.70 2.86 1v5vA1 ILE 151 H 0.13 0.38 -0.06 -0.55 8.25 8.14 1v5vA1 ILE 151 HA 0.02 0.24 1.01 -0.75 4.18 4.69 1v5vA1 ILE 151 HB 0.02 0.04 0.03 -0.04 1.89 1.93 1v5vA1 ILE 151 HG12 0.05 0.00 -0.24 -0.04 1.49 1.27 1v5vA1 ILE 151 HG13 0.06 -0.03 -0.16 -0.04 1.21 1.04 1v5vA1 ILE 151 HG23 0.02 -0.03 -0.34 -0.04 0.93 0.54 1v5vA1 ILE 151 HD13 0.03 -0.03 -0.16 -0.04 0.88 0.68 1v5vA1 ALA 152 H -0.30 0.75 0.39 -0.55 8.40 8.69 1v5vA1 ALA 152 HA -0.34 0.02 0.73 -0.75 4.34 4.00 1v5vA1 ALA 152 HB3 -0.67 -0.02 0.10 -0.04 1.41 0.77 1v5vA1 MET 153 H -0.25 0.06 0.16 -0.55 8.47 7.90 1v5vA1 MET 153 HA -0.44 0.45 1.05 -0.75 4.52 4.83 1v5vA1 MET 153 HB2 -0.17 0.07 -0.28 -0.04 2.15 1.73 1v5vA1 MET 153 HB3 -0.15 -0.01 -0.22 -0.04 2.03 1.61 1v5vA1 MET 153 HG2 -0.31 -0.07 -0.29 -0.04 2.63 1.91 1v5vA1 MET 153 HG3 -0.81 0.09 -0.13 -0.04 2.56 1.67 1v5vA1 MET 153 HE3 -0.08 -0.02 -0.18 -0.04 2.10 1.78 1v5vA1 PHE 154 H -0.24 0.52 0.30 -0.55 8.34 8.37 1v5vA1 PHE 154 HA 0.11 0.15 1.20 -0.75 4.62 5.32 1v5vA1 PHE 154 HB2 0.05 -0.01 0.02 -0.04 3.15 3.16 1v5vA1 PHE 154 HB3 0.15 0.07 0.00 -0.04 3.06 3.24 1v5vA1 PHE 154 HD2 0.16 0.05 -0.12 -0.04 7.28 7.33 1v5vA1 PHE 154 HE2 0.04 -0.02 -0.06 -0.04 7.38 7.31 1v5vA1 PHE 154 HZ 0.01 -0.02 -0.11 -0.04 7.32 7.16 1v5vA1 ALA 155 H 0.25 0.57 0.36 -0.55 8.40 9.04 1v5vA1 ALA 155 HA -0.09 0.27 1.12 -0.75 4.34 4.89 1v5vA1 ALA 155 HB3 0.02 -0.02 0.02 -0.04 1.41 1.39 1v5vA1 VAL 156 H -0.46 0.79 0.38 -0.55 8.24 8.40 1v5vA1 VAL 156 HA -0.19 0.28 1.06 -0.75 4.13 4.52 1v5vA1 VAL 156 HB -1.88 -0.03 0.18 -0.04 2.12 0.34 1v5vA1 VAL 156 HG13 -0.20 0.00 -0.12 -0.04 0.97 0.60 1v5vA1 VAL 156 HG23 -0.27 -0.01 -0.18 -0.04 0.95 0.45 1v5vA1 GLN 157 H -0.01 0.68 0.39 -0.55 8.47 8.99 1v5vA1 GLN 157 HA -0.02 0.24 1.21 -0.75 4.36 5.04 1v5vA1 GLN 157 HB2 0.22 -0.01 0.01 -0.04 2.15 2.33 1v5vA1 GLN 157 HB3 0.08 -0.01 -0.04 -0.04 2.02 2.02 1v5vA1 GLN 157 HG2 0.06 -0.09 -0.59 -0.04 2.40 1.73 1v5vA1 GLN 157 HG3 0.03 -0.07 -0.16 -0.04 2.39 2.15 1v5vA1 GLN 157 HE21 0.01 0.46 0.11 -0.04 6.97 7.51 1v5vA1 GLN 157 HE22 -0.09 0.01 -0.16 -0.04 7.69 7.41 1v5vA1 GLY 158 H 0.02 0.63 0.29 -0.55 8.43 8.83 1v5vA1 GLY 158 HA2 -0.01 0.22 0.42 -0.51 4.01 4.14 1v5vA1 GLY 158 HA3 -0.02 0.28 0.97 -0.51 4.01 4.73 1v5vA1 PRO 159 HA -0.02 -0.02 0.47 -0.51 4.44 4.36 1v5vA1 PRO 159 HB2 -0.02 0.02 0.03 -0.04 2.28 2.27 1v5vA1 PRO 159 HB3 -0.03 0.04 0.10 -0.04 2.02 2.09 1v5vA1 PRO 159 HG2 -0.01 0.11 -0.22 -0.04 2.03 1.87 1v5vA1 PRO 159 HG3 -0.01 0.17 -0.13 -0.04 2.03 2.03 1v5vA1 PRO 159 HD2 -0.01 0.27 0.01 -0.04 3.68 3.91 1v5vA1 PRO 159 HD3 -0.02 0.06 0.10 -0.04 3.65 3.76 1v5vA1 LYS 160 H -0.05 0.58 -0.36 -0.55 8.42 8.03 1v5vA1 LYS 160 HA -0.16 0.15 0.86 -0.75 4.32 4.42 1v5vA1 LYS 160 HB2 -0.10 0.09 -0.30 -0.04 1.87 1.51 1v5vA1 LYS 160 HB3 -0.45 -0.10 0.03 -0.04 1.79 1.23 1v5vA1 LYS 160 HG2 -0.02 0.10 -0.10 -0.04 1.46 1.40 1v5vA1 LYS 160 HG3 0.06 0.10 0.02 -0.04 1.46 1.59 1v5vA1 LYS 160 HD2 -0.03 -0.09 0.02 -0.04 1.69 1.55 1v5vA1 LYS 160 HD3 -0.06 0.05 -0.06 -0.04 1.68 1.56 1v5vA1 LYS 160 HE2 0.02 0.09 -0.02 -0.04 2.99 3.04 1v5vA1 LYS 160 HE3 0.10 0.03 0.02 -0.04 2.99 3.09 1v5vA1 ALA 161 H -0.04 0.58 -0.28 -0.55 8.40 8.11 1v5vA1 ALA 161 HA 0.00 0.03 0.25 -0.75 4.34 3.87 1v5vA1 ALA 161 HB3 0.03 0.01 -0.10 -0.04 1.41 1.31 1v5vA1 ARG 162 H -0.01 0.25 -0.34 -0.55 8.46 7.81 1v5vA1 ARG 162 HA 0.04 0.02 0.43 -0.75 4.34 4.07 1v5vA1 ARG 162 HB2 0.02 0.04 0.02 -0.04 1.90 1.95 1v5vA1 ARG 162 HB3 -0.02 0.11 0.03 -0.04 1.80 1.88 1v5vA1 ARG 162 HG2 -0.01 0.00 -0.12 -0.04 1.67 1.49 1v5vA1 ARG 162 HG3 0.01 0.00 0.02 -0.04 1.67 1.66 1v5vA1 ARG 162 HD2 0.02 0.07 -0.01 -0.04 3.22 3.26 1v5vA1 ARG 162 HD3 0.00 0.10 -0.03 -0.04 3.22 3.25 1v5vA1 ASP 163 H -0.15 0.21 -0.21 -0.55 8.40 7.70 1v5vA1 ASP 163 HA -0.05 0.06 0.43 -0.75 4.63 4.31 1v5vA1 ASP 163 HB2 -0.55 0.12 0.08 -0.04 2.71 2.31 1v5vA1 ASP 163 HB3 -0.05 0.01 -0.00 -0.04 2.70 2.62 1v5vA1 LEU 164 H -0.29 0.46 -0.32 -0.55 8.37 7.67 1v5vA1 LEU 164 HA 0.05 0.07 0.37 -0.75 4.35 4.09 1v5vA1 LEU 164 HB2 -0.19 0.07 -0.01 -0.04 1.64 1.47 1v5vA1 LEU 164 HB3 0.04 0.08 0.06 -0.04 1.64 1.77 1v5vA1 LEU 164 HG 0.12 -0.05 -0.25 -0.04 1.64 1.42 1v5vA1 LEU 164 HD13 0.10 0.01 -0.19 -0.04 0.93 0.81 1v5vA1 LEU 164 HD23 0.01 -0.00 -0.13 -0.04 0.89 0.72 1v5vA1 ALA 165 H 0.03 0.57 -0.17 -0.55 8.40 8.27 1v5vA1 ALA 165 HA -0.11 -0.01 0.38 -0.75 4.34 3.84 1v5vA1 ALA 165 HB3 -0.34 0.01 0.05 -0.04 1.41 1.08 1v5vA1 LYS 166 H -0.04 0.38 -0.35 -0.55 8.42 7.86 1v5vA1 LYS 166 HA -0.01 0.05 0.55 -0.75 4.32 4.15 1v5vA1 LYS 166 HB2 -0.02 0.03 0.14 -0.04 1.87 1.98 1v5vA1 LYS 166 HB3 -0.00 0.14 0.14 -0.04 1.79 2.03 1v5vA1 LYS 166 HG2 0.00 0.00 -0.14 -0.04 1.46 1.29 1v5vA1 LYS 166 HG3 -0.00 -0.04 -0.09 -0.04 1.46 1.29 1v5vA1 LYS 166 HD2 0.01 -0.01 -0.07 -0.04 1.69 1.58 1v5vA1 LYS 166 HD3 -0.00 -0.05 -0.11 -0.04 1.68 1.48 1v5vA1 LYS 166 HE2 -0.00 -0.07 -0.06 -0.04 2.99 2.82 1v5vA1 LYS 166 HE3 0.00 0.08 0.04 -0.04 2.99 3.06 1v5vA1 ASP 167 H -0.00 0.46 -0.12 -0.55 8.40 8.18 1v5vA1 ASP 167 HA -0.02 0.03 0.41 -0.75 4.63 4.31 1v5vA1 ASP 167 HB2 0.03 0.10 0.14 -0.04 2.71 2.95 1v5vA1 ASP 167 HB3 -0.01 -0.05 0.02 -0.04 2.70 2.62 1v5vA1 LEU 168 H -0.17 0.39 -0.23 -0.55 8.37 7.81 1v5vA1 LEU 168 HA -0.29 0.09 0.57 -0.75 4.35 3.96 1v5vA1 LEU 168 HB2 -0.80 -0.00 0.09 -0.04 1.64 0.89 1v5vA1 LEU 168 HB3 -1.15 -0.07 -0.06 -0.04 1.64 0.32 1v5vA1 LEU 168 HG -0.17 0.08 -0.02 -0.04 1.64 1.49 1v5vA1 LEU 168 HD13 -0.07 -0.03 -0.15 -0.04 0.93 0.64 1v5vA1 LEU 168 HD23 -0.21 -0.01 -0.11 -0.04 0.89 0.51 1v5vA1 PHE 169 H -0.16 0.55 0.05 -0.55 8.34 8.23 1v5vA1 PHE 169 HA -0.04 0.25 0.99 -0.75 4.62 5.06 1v5vA1 PHE 169 HB2 -0.15 0.01 0.02 -0.04 3.15 2.99 1v5vA1 PHE 169 HB3 -0.08 -0.05 0.07 -0.04 3.06 2.96 1v5vA1 PHE 169 HD2 -0.19 0.11 -0.03 -0.04 7.28 7.13 1v5vA1 PHE 169 HE2 -0.16 -0.04 -0.22 -0.04 7.38 6.93 1v5vA1 PHE 169 HZ 0.04 -0.05 -0.17 -0.04 7.32 7.11 1v5vA1 GLY 170 H 0.00 0.36 0.06 -0.55 8.43 8.30 1v5vA1 GLY 170 HA2 0.00 0.13 0.37 -0.51 4.01 4.00 1v5vA1 GLY 170 HA3 0.02 0.04 0.49 -0.51 4.01 4.05 1v5vA1 ILE 171 H 0.03 0.13 -0.13 -0.55 8.25 7.73 1v5vA1 ILE 171 HA -0.01 0.23 0.85 -0.75 4.18 4.49 1v5vA1 ILE 171 HB -0.07 -0.03 -0.09 -0.04 1.89 1.66 1v5vA1 ILE 171 HG12 0.01 0.01 -0.16 -0.04 1.49 1.31 1v5vA1 ILE 171 HG13 -0.09 -0.10 -0.50 -0.04 1.21 0.47 1v5vA1 ILE 171 HG23 -0.02 0.05 -0.25 -0.04 0.93 0.66 1v5vA1 ILE 171 HD13 -0.25 0.01 -0.20 -0.04 0.88 0.39 1v5vA1 ASP 172 H -0.03 0.25 0.02 -0.55 8.40 8.09 1v5vA1 ASP 172 HA -0.02 0.19 0.84 -0.75 4.63 4.89 1v5vA1 ASP 172 HB2 -0.01 0.09 -0.04 -0.04 2.71 2.71 1v5vA1 ASP 172 HB3 -0.01 0.01 0.15 -0.04 2.70 2.81 1v5vA1 ILE 173 H -0.05 0.25 0.01 -0.55 8.25 7.91 1v5vA1 ILE 173 HA -0.08 0.12 0.32 -0.75 4.18 3.78 1v5vA1 ILE 173 HB -0.04 0.07 0.04 -0.04 1.89 1.92 1v5vA1 ILE 173 HG12 0.01 -0.05 0.04 -0.04 1.49 1.45 1v5vA1 ILE 173 HG13 0.03 0.07 -0.22 -0.04 1.21 1.05 1v5vA1 ILE 173 HG23 -0.14 0.02 -0.11 -0.04 0.93 0.66 1v5vA1 ILE 173 HD13 0.13 0.02 -0.19 -0.04 0.88 0.81 1v5vA1 ASN 174 H 0.01 0.03 -0.38 -0.55 8.53 7.64 1v5vA1 ASN 174 HA 0.07 0.15 0.44 -0.75 4.76 4.66 1v5vA1 ASN 174 HB2 0.03 -0.05 -0.00 -0.04 2.88 2.81 1v5vA1 ASN 174 HB3 0.05 0.07 0.03 -0.04 2.79 2.90 1v5vA1 ASN 174 HD21 0.03 0.04 0.01 -0.04 7.03 7.06 1v5vA1 ASN 174 HD22 0.03 0.02 -0.00 -0.04 7.74 7.75 1v5vA1 GLU 175 H 0.00 0.37 -0.45 -0.55 8.60 7.97 1v5vA1 GLU 175 HA 0.05 0.13 0.63 -0.75 4.29 4.35 1v5vA1 GLU 175 HB2 -0.01 0.08 0.03 -0.04 2.09 2.15 1v5vA1 GLU 175 HB3 0.02 -0.02 0.11 -0.04 1.99 2.06 1v5vA1 GLU 175 HG2 0.03 0.02 -0.08 -0.04 2.34 2.27 1v5vA1 GLU 175 HG3 0.01 -0.09 -0.02 -0.04 2.34 2.19 1v5vA1 MET 176 H -0.01 0.34 -0.35 -0.55 8.47 7.90 1v5vA1 MET 176 HA -0.13 0.09 0.77 -0.75 4.52 4.50 1v5vA1 MET 176 HB2 -0.13 0.12 0.12 -0.04 2.15 2.22 1v5vA1 MET 176 HB3 -0.30 0.02 0.04 -0.04 2.03 1.76 1v5vA1 MET 176 HG2 -0.22 0.03 -0.10 -0.04 2.63 2.30 1v5vA1 MET 176 HG3 -0.12 -0.04 -0.13 -0.04 2.56 2.23 1v5vA1 MET 176 HE3 -0.28 0.05 -0.24 -0.04 2.10 1.59 1v5vA1 TRP 177 H -0.22 0.08 0.15 -0.55 7.97 7.44 1v5vA1 TRP 177 HA 0.11 0.15 0.66 -0.75 4.62 4.79 1v5vA1 TRP 177 HB2 0.10 -0.01 0.14 -0.04 3.23 3.42 1v5vA1 TRP 177 HB3 0.07 0.02 0.08 -0.04 3.23 3.36 1v5vA1 TRP 177 HD1 0.14 0.47 -0.31 -0.04 7.22 7.47 1v5vA1 TRP 177 HE1 0.11 0.02 -0.12 -0.04 10.20 10.18 1v5vA1 TRP 177 HE3 0.04 0.02 0.05 -0.04 7.59 7.66 1v5vA1 TRP 177 HZ2 0.05 0.07 -0.06 -0.04 7.44 7.46 1v5vA1 TRP 177 HZ3 0.03 -0.00 0.02 -0.04 7.13 7.13 1v5vA1 TRP 177 HH2 0.03 0.01 -0.05 -0.04 7.19 7.14 1v5vA1 TRP 178 H 0.51 0.11 0.16 -0.55 7.97 8.20 1v5vA1 TRP 178 HA -0.03 0.10 0.50 -0.75 4.62 4.43 1v5vA1 TRP 178 HB2 -0.05 0.01 0.15 -0.04 3.23 3.30 1v5vA1 TRP 178 HB3 -0.21 -0.00 0.10 -0.04 3.23 3.08 1v5vA1 TRP 178 HD1 -1.91 -0.01 -0.11 -0.04 7.22 5.16 1v5vA1 TRP 178 HE1 -0.32 -0.04 0.01 -0.04 10.20 9.80 1v5vA1 TRP 178 HE3 -0.06 0.05 -0.05 -0.04 7.59 7.49 1v5vA1 TRP 178 HZ2 -0.02 -0.07 -0.19 -0.04 7.44 7.11 1v5vA1 TRP 178 HZ3 -0.08 -0.06 -0.02 -0.04 7.13 6.93 1v5vA1 TRP 178 HH2 -0.04 0.12 -0.15 -0.04 7.19 7.07 1v5vA1 PHE 179 H -0.57 0.73 0.43 -0.55 8.34 8.38 1v5vA1 PHE 179 HA -0.12 -0.03 0.35 -0.75 4.62 4.06 1v5vA1 PHE 179 HB2 0.26 0.42 0.42 -0.04 3.15 4.21 1v5vA1 PHE 179 HB3 0.00 -0.21 0.18 -0.04 3.06 2.98 1v5vA1 PHE 179 HD2 0.04 0.09 -0.01 -0.04 7.28 7.36 1v5vA1 PHE 179 HE2 0.21 -0.04 -0.03 -0.04 7.38 7.48 1v5vA1 PHE 179 HZ 0.19 -0.01 -0.05 -0.04 7.32 7.42 1v5vA1 GLN 180 H -0.24 0.52 -0.10 -0.55 8.47 8.11 1v5vA1 GLN 180 HA -0.32 0.09 0.82 -0.75 4.36 4.20 1v5vA1 GLN 180 HB2 -2.62 -0.06 0.13 -0.04 2.15 -0.45 1v5vA1 GLN 180 HB3 -0.78 0.03 0.18 -0.04 2.02 1.40 1v5vA1 GLN 180 HG2 -0.59 0.03 -0.02 -0.04 2.40 1.78 1v5vA1 GLN 180 HG3 -0.91 0.16 0.23 -0.04 2.39 1.83 1v5vA1 GLN 180 HE21 -0.41 -0.02 0.05 -0.04 6.97 6.55 1v5vA1 GLN 180 HE22 -0.54 0.07 0.07 -0.04 7.69 7.26 1v5vA1 ALA 181 H -0.27 0.75 0.44 -0.55 8.40 8.77 1v5vA1 ALA 181 HA -0.29 0.23 1.03 -0.75 4.34 4.56 1v5vA1 ALA 181 HB3 -0.44 -0.05 -0.17 -0.04 1.41 0.70 1v5vA1 ARG 182 H -0.40 0.57 0.40 -0.55 8.46 8.48 1v5vA1 ARG 182 HA -0.29 0.07 0.64 -0.75 4.34 4.01 1v5vA1 ARG 182 HB2 -0.13 0.02 0.09 -0.04 1.90 1.85 1v5vA1 ARG 182 HB3 -0.20 0.12 -0.12 -0.04 1.80 1.56 1v5vA1 ARG 182 HG2 -0.26 0.00 -0.09 -0.04 1.67 1.28 1v5vA1 ARG 182 HG3 -0.22 -0.00 -0.28 -0.04 1.67 1.12 1v5vA1 ARG 182 HD2 -0.17 0.02 -0.14 -0.04 3.22 2.88 1v5vA1 ARG 182 HD3 -0.17 -0.07 -0.16 -0.04 3.22 2.78 1v5vA1 TRP 183 H 0.03 0.16 0.19 -0.55 7.97 7.80 1v5vA1 TRP 183 HA -0.13 0.11 0.83 -0.75 4.62 4.68 1v5vA1 TRP 183 HB2 -0.08 -0.01 0.18 -0.04 3.23 3.28 1v5vA1 TRP 183 HB3 -0.08 0.05 0.04 -0.04 3.23 3.20 1v5vA1 TRP 183 HD1 -0.09 0.02 0.04 -0.04 7.22 7.16 1v5vA1 TRP 183 HE1 -0.10 0.07 -0.02 -0.04 10.20 10.11 1v5vA1 TRP 183 HE3 -0.08 0.13 -0.20 -0.04 7.59 7.40 1v5vA1 TRP 183 HZ2 -0.11 0.02 -0.06 -0.04 7.44 7.24 1v5vA1 TRP 183 HZ3 -0.07 -0.02 -0.14 -0.04 7.13 6.85 1v5vA1 TRP 183 HH2 -0.10 -0.02 -0.08 -0.04 7.19 6.96 1v5vA1 VAL 184 H 0.06 0.66 0.43 -0.55 8.24 8.83 1v5vA1 VAL 184 HA 0.02 0.20 0.87 -0.75 4.13 4.47 1v5vA1 VAL 184 HB -0.13 -0.01 0.12 -0.04 2.12 2.06 1v5vA1 VAL 184 HG13 -0.30 0.01 -0.27 -0.04 0.97 0.37 1v5vA1 VAL 184 HG23 -0.62 0.00 -0.21 -0.04 0.95 0.08 1v5vA1 GLU 185 H 0.17 0.33 0.20 -0.55 8.60 8.75 1v5vA1 GLU 185 HA 0.14 0.33 0.77 -0.75 4.29 4.77 1v5vA1 GLU 185 HB2 0.07 0.00 -0.34 -0.04 2.09 1.79 1v5vA1 GLU 185 HB3 0.08 -0.01 -0.10 -0.04 1.99 1.92 1v5vA1 GLU 185 HG2 0.07 -0.20 -0.37 -0.04 2.34 1.79 1v5vA1 GLU 185 HG3 0.06 0.04 -0.54 -0.04 2.34 1.86 1v5vA1 LEU 186 H 0.15 0.58 0.15 -0.55 8.37 8.70 1v5vA1 LEU 186 HA 0.08 0.22 0.80 -0.75 4.35 4.70 1v5vA1 LEU 186 HB2 0.25 0.06 -0.18 -0.04 1.64 1.73 1v5vA1 LEU 186 HB3 0.20 -0.03 0.05 -0.04 1.64 1.82 1v5vA1 LEU 186 HG 0.08 -0.03 -0.22 -0.04 1.64 1.42 1v5vA1 LEU 186 HD13 -0.18 0.01 0.06 -0.04 0.93 0.78 1v5vA1 LEU 186 HD23 -0.03 -0.02 -0.09 -0.04 0.89 0.71 1v5vA1 ASP 187 H 0.05 0.26 0.10 -0.55 8.40 8.26 1v5vA1 ASP 187 HA 0.03 0.06 0.33 -0.75 4.63 4.30 1v5vA1 ASP 187 HB2 0.16 0.10 -0.07 -0.04 2.71 2.85 1v5vA1 ASP 187 HB3 0.01 0.01 0.19 -0.04 2.70 2.87 1v5vA1 GLY 188 H 0.04 0.08 -0.29 -0.55 8.43 7.71 1v5vA1 GLY 188 HA2 0.01 0.01 0.22 -0.51 4.01 3.74 1v5vA1 GLY 188 HA3 -0.00 0.13 0.46 -0.51 4.01 4.09 1v5vA1 ILE 189 H 0.07 0.49 -0.52 -0.55 8.25 7.73 1v5vA1 ILE 189 HA 0.04 0.12 0.88 -0.75 4.18 4.47 1v5vA1 ILE 189 HB 0.13 0.07 0.14 -0.04 1.89 2.19 1v5vA1 ILE 189 HG12 0.03 -0.05 -0.04 -0.04 1.49 1.38 1v5vA1 ILE 189 HG13 0.02 0.15 -0.16 -0.04 1.21 1.18 1v5vA1 ILE 189 HG23 0.09 0.00 -0.14 -0.04 0.93 0.84 1v5vA1 ILE 189 HD13 0.12 -0.02 0.03 -0.04 0.88 0.96 1v5vA1 LYS 190 H 0.04 0.15 0.19 -0.55 8.42 8.25 1v5vA1 LYS 190 HA 0.10 0.23 0.72 -0.75 4.32 4.61 1v5vA1 LYS 190 HB2 -0.00 0.01 0.09 -0.04 1.87 1.92 1v5vA1 LYS 190 HB3 0.01 -0.04 0.17 -0.04 1.79 1.89 1v5vA1 LYS 190 HG2 0.16 -0.02 -0.25 -0.04 1.46 1.31 1v5vA1 LYS 190 HG3 0.05 0.07 0.05 -0.04 1.46 1.59 1v5vA1 LYS 190 HD2 -0.20 0.01 -0.01 -0.04 1.69 1.44 1v5vA1 LYS 190 HD3 -0.16 -0.03 -0.02 -0.04 1.68 1.43 1v5vA1 LYS 190 HE2 -1.12 -0.03 -0.07 -0.04 2.99 1.72 1v5vA1 LYS 190 HE3 -0.94 0.02 -0.04 -0.04 2.99 1.99 1v5vA1 MET 191 H 0.20 0.63 0.35 -0.55 8.47 9.11 1v5vA1 MET 191 HA 0.21 0.11 0.62 -0.75 4.52 4.70 1v5vA1 MET 191 HB2 0.03 -0.01 -0.09 -0.04 2.15 2.04 1v5vA1 MET 191 HB3 0.09 0.05 -0.32 -0.04 2.03 1.81 1v5vA1 MET 191 HG2 0.06 0.01 -0.26 -0.04 2.63 2.40 1v5vA1 MET 191 HG3 -0.09 0.03 -0.42 -0.04 2.56 2.03 1v5vA1 MET 191 HE3 0.23 0.00 -0.21 -0.04 2.10 2.08 1v5vA1 LEU 192 H -0.02 0.45 0.33 -0.55 8.37 8.59 1v5vA1 LEU 192 HA -0.70 0.16 0.80 -0.75 4.35 3.86 1v5vA1 LEU 192 HB2 -1.30 0.00 0.05 -0.04 1.64 0.35 1v5vA1 LEU 192 HB3 -0.42 -0.06 0.11 -0.04 1.64 1.22 1v5vA1 LEU 192 HG -0.71 0.03 -0.24 -0.04 1.64 0.68 1v5vA1 LEU 192 HD13 -1.52 0.03 -0.18 -0.04 0.93 -0.79 1v5vA1 LEU 192 HD23 -1.14 -0.01 -0.16 -0.04 0.89 -0.46 1v5vA1 LEU 193 H -0.43 0.59 0.35 -0.55 8.37 8.33 1v5vA1 LEU 193 HA -0.11 0.32 1.10 -0.75 4.35 4.90 1v5vA1 LEU 193 HB2 -0.47 -0.03 -0.14 -0.04 1.64 0.96 1v5vA1 LEU 193 HB3 -0.39 0.04 0.09 -0.04 1.64 1.35 1v5vA1 LEU 193 HG -0.14 0.04 -0.05 -0.04 1.64 1.45 1v5vA1 LEU 193 HD13 -0.92 -0.02 -0.13 -0.04 0.93 -0.18 1v5vA1 LEU 193 HD23 -0.26 -0.01 -0.43 -0.04 0.89 0.15 1v5vA1 SER 194 H 0.00 0.59 0.36 -0.55 8.46 8.87 1v5vA1 SER 194 HA -0.18 0.36 1.13 -0.75 4.49 5.05 1v5vA1 SER 194 HB2 0.13 0.10 -0.16 -0.04 3.95 3.98 1v5vA1 SER 194 HB3 -0.22 -0.05 -0.20 -0.04 3.93 3.43 1v5vA1 ARG 195 H -0.22 0.66 0.25 -0.55 8.46 8.60 1v5vA1 ARG 195 HA -0.23 0.20 1.04 -0.75 4.34 4.59 1v5vA1 ARG 195 HB2 -0.21 -0.02 0.11 -0.04 1.90 1.74 1v5vA1 ARG 195 HB3 -0.34 0.03 0.22 -0.04 1.80 1.67 1v5vA1 ARG 195 HG2 -0.83 -0.08 -0.09 -0.04 1.67 0.63 1v5vA1 ARG 195 HG3 -0.16 0.05 0.13 -0.04 1.67 1.65 1v5vA1 ARG 195 HD2 -0.03 0.24 0.01 -0.04 3.22 3.40 1v5vA1 ARG 195 HD3 0.02 -0.06 -0.25 -0.04 3.22 2.89 1v5vA1 SER 196 H -0.40 0.44 0.11 -0.55 8.46 8.06 1v5vA1 SER 196 HA -1.33 0.09 0.46 -0.75 4.49 2.96 1v5vA1 SER 196 HB2 0.12 -0.05 -0.03 -0.04 3.95 3.95 1v5vA1 SER 196 HB3 -0.02 0.11 -0.23 -0.04 3.93 3.76 1v5vA1 GLY 197 H 0.32 0.31 0.10 -0.55 8.43 8.61 1v5vA1 GLY 197 HA2 0.12 0.04 0.29 -0.51 4.01 3.95 1v5vA1 GLY 197 HA3 0.27 0.12 0.24 -0.51 4.01 4.13 1v5vA1 TYR 198 H 0.18 0.16 0.05 -0.55 8.29 8.13 1v5vA1 TYR 198 HA 0.09 0.23 0.71 -0.75 4.56 4.83 1v5vA1 TYR 198 HB2 0.01 -0.03 -0.12 -0.04 3.06 2.87 1v5vA1 TYR 198 HB3 -0.06 0.01 0.01 -0.04 2.98 2.90 1v5vA1 TYR 198 HD2 -0.03 0.02 0.01 -0.04 7.15 7.11 1v5vA1 TYR 198 HE2 0.10 0.01 -0.03 -0.04 6.85 6.88 1v5vA1 THR 199 H 0.21 0.05 -0.09 -0.55 8.28 7.90 1v5vA1 THR 199 HA 0.00 0.31 0.84 -0.75 4.39 4.78 1v5vA1 THR 199 HB -0.00 0.09 -0.02 -0.04 4.32 4.34 1v5vA1 THR 199 HG23 -0.02 -0.02 -0.18 -0.04 1.22 0.95 1v5vA1 GLY 200 H 0.25 0.07 -0.08 -0.55 8.43 8.13 1v5vA1 GLY 200 HA2 0.12 0.07 0.29 -0.51 4.01 3.98 1v5vA1 GLY 200 HA3 0.10 0.23 0.70 -0.51 4.01 4.52 1v5vA1 GLU 201 H 0.05 -0.07 -0.44 -0.55 8.60 7.60 1v5vA1 GLU 201 HA -0.06 0.08 0.61 -0.75 4.29 4.16 1v5vA1 GLU 201 HB2 0.03 -0.09 -0.07 -0.04 2.09 1.92 1v5vA1 GLU 201 HB3 -0.00 0.02 0.04 -0.04 1.99 2.01 1v5vA1 GLU 201 HG2 -0.07 -0.04 -0.24 -0.04 2.34 1.96 1v5vA1 GLU 201 HG3 -0.04 0.27 -0.16 -0.04 2.34 2.37 1v5vA1 ASN 202 H 0.00 0.17 0.02 -0.55 8.53 8.18 1v5vA1 ASN 202 HA 0.31 0.10 0.47 -0.75 4.76 4.89 1v5vA1 ASN 202 HB2 0.01 0.09 0.12 -0.04 2.88 3.06 1v5vA1 ASN 202 HB3 0.05 0.04 0.02 -0.04 2.79 2.85 1v5vA1 ASN 202 HD21 0.07 -0.04 -0.06 -0.04 7.03 6.96 1v5vA1 ASN 202 HD22 0.04 0.02 -0.01 -0.04 7.74 7.76 1v5vA1 GLY 203 H 0.18 0.27 0.21 -0.55 8.43 8.55 1v5vA1 GLY 203 HA2 0.07 -0.02 0.41 -0.51 4.01 3.96 1v5vA1 GLY 203 HA3 0.03 0.09 0.66 -0.51 4.01 4.28 1v5vA1 PHE 204 H -0.35 0.61 0.48 -0.55 8.34 8.53 1v5vA1 PHE 204 HA -0.17 0.09 1.04 -0.75 4.62 4.83 1v5vA1 PHE 204 HB2 -0.13 0.09 0.13 -0.04 3.15 3.20 1v5vA1 PHE 204 HB3 -0.10 -0.02 -0.12 -0.04 3.06 2.78 1v5vA1 PHE 204 HD2 -0.04 -0.02 -0.27 -0.04 7.28 6.91 1v5vA1 PHE 204 HE2 0.09 0.06 -0.09 -0.04 7.38 7.40 1v5vA1 PHE 204 HZ 0.08 0.01 -0.13 -0.04 7.32 7.24 1v5vA1 GLU 205 H 0.06 0.62 0.42 -0.55 8.60 9.15 1v5vA1 GLU 205 HA -0.14 0.25 1.07 -0.75 4.29 4.72 1v5vA1 GLU 205 HB2 -0.12 -0.05 -0.03 -0.04 2.09 1.85 1v5vA1 GLU 205 HB3 -0.39 0.04 -0.05 -0.04 1.99 1.55 1v5vA1 GLU 205 HG2 -0.10 -0.03 -0.04 -0.04 2.34 2.13 1v5vA1 GLU 205 HG3 -0.07 0.04 -0.58 -0.04 2.34 1.69 1v5vA1 VAL 206 H -0.15 0.49 0.36 -0.55 8.24 8.39 1v5vA1 VAL 206 HA -0.11 0.45 1.19 -0.75 4.13 4.91 1v5vA1 VAL 206 HB -0.01 0.03 -0.05 -0.04 2.12 2.05 1v5vA1 VAL 206 HG13 0.17 0.00 -0.18 -0.04 0.97 0.91 1v5vA1 VAL 206 HG23 0.11 -0.02 -0.03 -0.04 0.95 0.97 1v5vA1 TYR 207 H 0.05 0.60 0.28 -0.55 8.29 8.67 1v5vA1 TYR 207 HA -0.18 0.27 0.96 -0.75 4.56 4.85 1v5vA1 TYR 207 HB2 -0.22 -0.10 0.13 -0.04 3.06 2.83 1v5vA1 TYR 207 HB3 -0.15 0.03 -0.06 -0.04 2.98 2.76 1v5vA1 TYR 207 HD2 -0.22 0.11 -0.21 -0.04 7.15 6.78 1v5vA1 TYR 207 HE2 -0.17 0.00 -0.22 -0.04 6.85 6.42 1v5vA1 ILE 208 H -0.17 0.86 0.29 -0.55 8.25 8.68 1v5vA1 ILE 208 HA 0.03 0.22 1.08 -0.75 4.18 4.76 1v5vA1 ILE 208 HB -0.21 -0.12 0.06 -0.04 1.89 1.58 1v5vA1 ILE 208 HG12 0.01 0.12 -0.22 -0.04 1.49 1.36 1v5vA1 ILE 208 HG13 -0.15 -0.10 -0.40 -0.04 1.21 0.52 1v5vA1 ILE 208 HG23 0.01 0.05 -0.24 -0.04 0.93 0.72 1v5vA1 ILE 208 HD13 -0.12 -0.02 -0.16 -0.04 0.88 0.55 1v5vA1 GLU 209 H 0.06 0.22 0.19 -0.55 8.60 8.53 1v5vA1 GLU 209 HA 0.05 0.24 0.78 -0.75 4.29 4.61 1v5vA1 GLU 209 HB2 0.05 -0.01 0.18 -0.04 2.09 2.27 1v5vA1 GLU 209 HB3 0.06 0.03 0.03 -0.04 1.99 2.07 1v5vA1 GLU 209 HG2 0.07 -0.00 -0.12 -0.04 2.34 2.24 1v5vA1 GLU 209 HG3 0.10 -0.00 -0.01 -0.04 2.34 2.38 1v5vA1 ASP 210 H 0.13 0.71 0.39 -0.55 8.40 9.09 1v5vA1 ASP 210 HA 0.09 0.06 0.57 -0.75 4.63 4.60 1v5vA1 ASP 210 HB2 0.04 0.06 -0.34 -0.04 2.71 2.42 1v5vA1 ASP 210 HB3 0.08 0.01 -0.07 -0.04 2.70 2.68 1v5vA1 ALA 211 H 0.11 0.05 0.14 -0.55 8.40 8.16 1v5vA1 ALA 211 HA 0.10 0.15 0.51 -0.75 4.34 4.35 1v5vA1 ALA 211 HB3 0.05 0.04 -0.08 -0.04 1.41 1.38 1v5vA1 ASN 212 H 0.06 0.29 0.22 -0.55 8.53 8.56 1v5vA1 ASN 212 HA -0.07 0.11 0.91 -0.75 4.76 4.95 1v5vA1 ASN 212 HB2 -0.60 0.26 0.13 -0.04 2.88 2.62 1v5vA1 ASN 212 HB3 0.04 -0.07 0.22 -0.04 2.79 2.95 1v5vA1 ASN 212 HD21 0.17 0.15 -0.01 -0.04 7.03 7.29 1v5vA1 ASN 212 HD22 -0.13 0.35 0.13 -0.04 7.74 8.05 1v5vA1 PRO 213 HA -0.09 -0.04 0.53 -0.51 4.44 4.33 1v5vA1 PRO 213 HB2 -0.40 0.01 0.04 -0.04 2.28 1.89 1v5vA1 PRO 213 HB3 -0.10 0.02 0.07 -0.04 2.02 1.97 1v5vA1 PRO 213 HG2 -0.06 -0.00 0.13 -0.04 2.03 2.07 1v5vA1 PRO 213 HG3 0.03 -0.02 0.19 -0.04 2.03 2.19 1v5vA1 PRO 213 HD2 0.11 0.04 0.42 -0.04 3.68 4.20 1v5vA1 PRO 213 HD3 0.06 0.23 0.25 -0.04 3.65 4.16 1v5vA1 TYR 214 H 0.07 0.06 -0.44 -0.55 8.29 7.43 1v5vA1 TYR 214 HA -0.01 0.23 0.76 -0.75 4.56 4.78 1v5vA1 TYR 214 HB2 0.03 0.08 -0.06 -0.04 3.06 3.07 1v5vA1 TYR 214 HB3 -0.06 -0.00 0.14 -0.04 2.98 3.01 1v5vA1 TYR 214 HD2 0.04 0.09 -0.05 -0.04 7.15 7.19 1v5vA1 TYR 214 HE2 0.15 -0.07 -0.04 -0.04 6.85 6.85 1v5vA1 HIS 215 H 0.09 0.39 -0.34 -0.55 8.41 8.01 1v5vA1 HIS 215 HA -0.07 0.04 0.38 -0.75 4.63 4.22 1v5vA1 HIS 215 HB2 -0.04 0.11 0.11 -0.04 3.26 3.40 1v5vA1 HIS 215 HB3 -0.05 0.07 -0.09 -0.04 3.20 3.08 1v5vA1 HIS 215 HD2 0.05 0.13 -0.11 -0.04 6.97 6.99 1v5vA1 HIS 215 HE1 -0.03 -0.00 0.01 -0.04 7.75 7.68 1v5vA1 PRO 216 HA -0.15 0.12 0.41 -0.51 4.44 4.32 1v5vA1 PRO 216 HB2 -0.28 -0.05 0.04 -0.04 2.28 1.94 1v5vA1 PRO 216 HB3 -0.28 0.03 0.09 -0.04 2.02 1.82 1v5vA1 PRO 216 HG2 -1.74 -0.03 0.08 -0.04 2.03 0.29 1v5vA1 PRO 216 HG3 -0.78 0.13 0.09 -0.04 2.03 1.42 1v5vA1 PRO 216 HD2 -1.34 -0.00 0.20 -0.04 3.68 2.50 1v5vA1 PRO 216 HD3 -0.84 0.20 0.23 -0.04 3.65 3.20 1v5vA1 ASP 217 H 0.78 0.08 -0.30 -0.55 8.40 8.41 1v5vA1 ASP 217 HA 0.01 0.11 0.63 -0.75 4.63 4.62 1v5vA1 ASP 217 HB2 0.09 0.03 0.05 -0.04 2.71 2.84 1v5vA1 ASP 217 HB3 -0.33 -0.01 0.10 -0.04 2.70 2.42 1v5vA1 GLU 218 H -0.02 0.23 0.15 -0.55 8.60 8.42 1v5vA1 GLU 218 HA -0.03 0.17 0.32 -0.75 4.29 4.00 1v5vA1 GLU 218 HB2 -0.02 0.08 0.13 -0.04 2.09 2.23 1v5vA1 GLU 218 HB3 -0.02 -0.06 0.13 -0.04 1.99 1.99 1v5vA1 GLU 218 HG2 -0.03 0.00 -0.26 -0.04 2.34 2.01 1v5vA1 GLU 218 HG3 -0.03 0.03 0.05 -0.04 2.34 2.35 1v5vA1 SER 219 H -0.05 0.04 -0.25 -0.55 8.46 7.64 1v5vA1 SER 219 HA -0.05 0.13 0.44 -0.75 4.49 4.26 1v5vA1 SER 219 HB2 -0.04 0.04 0.10 -0.04 3.95 4.00 1v5vA1 SER 219 HB3 -0.04 -0.02 0.07 -0.04 3.93 3.90 1v5vA1 LYS 220 H -0.17 0.46 -0.45 -0.55 8.42 7.71 1v5vA1 LYS 220 HA -0.12 0.19 0.85 -0.75 4.32 4.49 1v5vA1 LYS 220 HB2 -0.82 0.06 0.04 -0.04 1.87 1.11 1v5vA1 LYS 220 HB3 -0.38 -0.04 0.13 -0.04 1.79 1.46 1v5vA1 LYS 220 HG2 -0.15 0.05 -0.07 -0.04 1.46 1.25 1v5vA1 LYS 220 HG3 -0.21 -0.10 -0.16 -0.04 1.46 0.94 1v5vA1 LYS 220 HD2 -0.47 -0.05 -0.01 -0.04 1.69 1.12 1v5vA1 LYS 220 HD3 -0.20 0.01 -0.00 -0.04 1.68 1.44 1v5vA1 LYS 220 HE2 -0.06 0.03 -0.03 -0.04 2.99 2.89 1v5vA1 LYS 220 HE3 -0.07 -0.02 -0.04 -0.04 2.99 2.82 1v5vA1 ARG 221 H -0.08 0.31 -0.18 -0.55 8.46 7.96 1v5vA1 ARG 221 HA -0.02 0.18 0.51 -0.75 4.34 4.26 1v5vA1 ARG 221 HB2 -0.04 0.07 0.13 -0.04 1.90 2.02 1v5vA1 ARG 221 HB3 -0.05 -0.05 0.08 -0.04 1.80 1.73 1v5vA1 ARG 221 HG2 0.01 -0.11 -0.08 -0.04 1.67 1.44 1v5vA1 ARG 221 HG3 -0.02 0.01 -0.01 -0.04 1.67 1.61 1v5vA1 ARG 221 HD2 -0.03 -0.06 0.08 -0.04 3.22 3.17 1v5vA1 ARG 221 HD3 -0.06 0.11 0.06 -0.04 3.22 3.29 1v5vA1 GLY 222 H -0.01 0.25 -0.17 -0.55 8.43 7.95 1v5vA1 GLY 222 HA2 -0.01 0.07 0.36 -0.51 4.01 3.92 1v5vA1 GLY 222 HA3 0.01 0.08 0.29 -0.51 4.01 3.87 1v5vA1 GLU 223 H 0.02 0.14 0.14 -0.55 8.60 8.35 1v5vA1 GLU 223 HA 0.03 0.14 0.49 -0.75 4.29 4.20 1v5vA1 GLU 223 HB2 0.02 0.05 0.15 -0.04 2.09 2.28 1v5vA1 GLU 223 HB3 0.04 -0.04 0.17 -0.04 1.99 2.11 1v5vA1 GLU 223 HG2 0.06 -0.08 -0.16 -0.04 2.34 2.12 1v5vA1 GLU 223 HG3 0.05 0.05 0.03 -0.04 2.34 2.43 1v5vA1 PRO 224 HA 0.15 0.22 0.61 -0.51 4.44 4.91 1v5vA1 PRO 224 HB2 0.19 -0.21 0.14 -0.04 2.28 2.35 1v5vA1 PRO 224 HB3 0.22 0.21 0.20 -0.04 2.02 2.61 1v5vA1 PRO 224 HG2 0.12 -0.06 0.02 -0.04 2.03 2.06 1v5vA1 PRO 224 HG3 0.15 0.19 0.11 -0.04 2.03 2.44 1v5vA1 PRO 224 HD2 0.08 0.05 0.20 -0.04 3.68 3.96 1v5vA1 PRO 224 HD3 0.07 0.26 0.31 -0.04 3.65 4.25 1v5vA1 GLU 225 H 0.08 0.52 -0.52 -0.55 8.60 8.13 1v5vA1 GLU 225 HA 0.09 0.06 0.29 -0.75 4.29 3.98 1v5vA1 GLU 225 HB2 0.05 0.03 0.06 -0.04 2.09 2.19 1v5vA1 GLU 225 HB3 0.05 0.00 0.10 -0.04 1.99 2.10 1v5vA1 GLU 225 HG2 0.06 -0.01 0.03 -0.04 2.34 2.37 1v5vA1 GLU 225 HG3 0.03 0.04 0.00 -0.04 2.34 2.37 1v5vA1 LYS 226 H 0.08 0.13 -0.08 -0.55 8.42 8.00 1v5vA1 LYS 226 HA 0.11 0.15 0.49 -0.75 4.32 4.32 1v5vA1 LYS 226 HB2 0.07 -0.03 0.09 -0.04 1.87 1.96 1v5vA1 LYS 226 HB3 0.08 0.07 -0.00 -0.04 1.79 1.89 1v5vA1 LYS 226 HG2 0.03 0.06 0.03 -0.04 1.46 1.54 1v5vA1 LYS 226 HG3 0.05 -0.08 0.09 -0.04 1.46 1.47 1v5vA1 LYS 226 HD2 0.04 0.08 0.14 -0.04 1.69 1.91 1v5vA1 LYS 226 HD3 0.04 0.02 0.08 -0.04 1.68 1.78 1v5vA1 LYS 226 HE2 0.02 0.04 0.07 -0.04 2.99 3.08 1v5vA1 LYS 226 HE3 0.01 0.03 0.04 -0.04 2.99 3.03 1v5vA1 ALA 227 H 0.10 0.10 -0.15 -0.55 8.40 7.91 1v5vA1 ALA 227 HA 0.14 0.08 0.33 -0.75 4.34 4.13 1v5vA1 ALA 227 HB3 0.07 0.02 0.03 -0.04 1.41 1.49 1v5vA1 LEU 228 H 0.14 0.65 -0.17 -0.55 8.37 8.45 1v5vA1 LEU 228 HA 0.03 -0.03 0.39 -0.75 4.35 3.98 1v5vA1 LEU 228 HB2 0.08 -0.02 0.07 -0.04 1.64 1.72 1v5vA1 LEU 228 HB3 0.11 0.12 0.03 -0.04 1.64 1.86 1v5vA1 LEU 228 HG 0.08 0.01 -0.16 -0.04 1.64 1.53 1v5vA1 LEU 228 HD13 -0.09 -0.03 0.04 -0.04 0.93 0.81 1v5vA1 LEU 228 HD23 0.14 0.00 -0.05 -0.04 0.89 0.94 1v5vA1 HIS 229 H 0.21 0.42 -0.27 -0.55 8.41 8.23 1v5vA1 HIS 229 HA 0.05 0.01 0.39 -0.75 4.63 4.33 1v5vA1 HIS 229 HB2 0.06 0.10 0.17 -0.04 3.26 3.55 1v5vA1 HIS 229 HB3 0.07 0.09 0.18 -0.04 3.20 3.50 1v5vA1 HIS 229 HD2 0.04 0.04 -0.19 -0.04 6.97 6.82 1v5vA1 HIS 229 HE1 0.01 -0.00 -0.01 -0.04 7.75 7.71 1v5vA1 VAL 230 H 0.23 0.59 -0.13 -0.55 8.24 8.37 1v5vA1 VAL 230 HA 0.07 0.04 0.34 -0.75 4.13 3.82 1v5vA1 VAL 230 HB 0.39 0.06 0.07 -0.04 2.12 2.59 1v5vA1 VAL 230 HG13 0.30 -0.02 -0.19 -0.04 0.97 1.02 1v5vA1 VAL 230 HG23 0.20 0.06 -0.04 -0.04 0.95 1.13 1v5vA1 TRP 231 H 0.27 0.53 -0.21 -0.55 7.97 8.01 1v5vA1 TRP 231 HA -0.51 -0.02 0.33 -0.75 4.62 3.66 1v5vA1 TRP 231 HB2 -0.66 -0.01 0.07 -0.04 3.23 2.59 1v5vA1 TRP 231 HB3 -0.45 0.13 0.17 -0.04 3.23 3.03 1v5vA1 TRP 231 HD1 -1.32 0.05 -0.17 -0.04 7.22 5.75 1v5vA1 TRP 231 HE1 -3.50 0.03 -0.10 -0.04 10.20 6.59 1v5vA1 TRP 231 HE3 -2.34 0.01 -0.09 -0.04 7.59 5.13 1v5vA1 TRP 231 HZ2 -0.41 0.01 -0.07 -0.04 7.44 6.93 1v5vA1 TRP 231 HZ3 -0.39 0.02 -0.46 -0.04 7.13 6.25 1v5vA1 TRP 231 HH2 -0.10 -0.00 -0.15 -0.04 7.19 6.89 1v5vA1 GLU 232 H -0.05 0.67 -0.07 -0.55 8.60 8.61 1v5vA1 GLU 232 HA -0.29 -0.00 0.40 -0.75 4.29 3.65 1v5vA1 GLU 232 HB2 -0.11 0.10 0.11 -0.04 2.09 2.16 1v5vA1 GLU 232 HB3 -0.06 -0.03 0.02 -0.04 1.99 1.88 1v5vA1 GLU 232 HG2 -0.00 -0.06 0.00 -0.04 2.34 2.24 1v5vA1 GLU 232 HG3 -0.02 0.18 0.09 -0.04 2.34 2.55 1v5vA1 ARG 233 H -0.24 0.64 -0.19 -0.55 8.46 8.11 1v5vA1 ARG 233 HA -0.19 0.01 0.44 -0.75 4.34 3.85 1v5vA1 ARG 233 HB2 -0.19 0.09 0.13 -0.04 1.90 1.89 1v5vA1 ARG 233 HB3 -0.16 -0.04 -0.03 -0.04 1.80 1.53 1v5vA1 ARG 233 HG2 -0.77 0.08 0.03 -0.04 1.67 0.98 1v5vA1 ARG 233 HG3 -0.39 -0.04 -0.08 -0.04 1.67 1.12 1v5vA1 ARG 233 HD2 -0.16 -0.04 0.02 -0.04 3.22 3.00 1v5vA1 ARG 233 HD3 -0.12 -0.01 -0.02 -0.04 3.22 3.04 1v5vA1 ILE 234 H -0.22 0.61 -0.18 -0.55 8.25 7.90 1v5vA1 ILE 234 HA -0.14 0.04 0.40 -0.75 4.18 3.73 1v5vA1 ILE 234 HB -0.38 0.11 0.07 -0.04 1.89 1.65 1v5vA1 ILE 234 HG12 0.02 -0.03 -0.07 -0.04 1.49 1.36 1v5vA1 ILE 234 HG13 -0.04 0.21 0.02 -0.04 1.21 1.37 1v5vA1 ILE 234 HG23 -0.18 -0.03 -0.20 -0.04 0.93 0.48 1v5vA1 ILE 234 HD13 0.15 -0.04 -0.15 -0.04 0.88 0.80 1v5vA1 LEU 235 H -0.44 0.46 -0.21 -0.55 8.37 7.64 1v5vA1 LEU 235 HA -0.31 -0.00 0.30 -0.75 4.35 3.58 1v5vA1 LEU 235 HB2 -0.37 0.11 0.10 -0.04 1.64 1.44 1v5vA1 LEU 235 HB3 -0.24 -0.01 -0.06 -0.04 1.64 1.29 1v5vA1 LEU 235 HG -1.07 0.05 -0.04 -0.04 1.64 0.54 1v5vA1 LEU 235 HD13 -0.63 -0.02 -0.09 -0.04 0.93 0.15 1v5vA1 LEU 235 HD23 -0.45 -0.01 -0.16 -0.04 0.89 0.22 1v5vA1 GLU 236 H -0.19 0.41 -0.36 -0.55 8.60 7.92 1v5vA1 GLU 236 HA -0.09 0.03 0.45 -0.75 4.29 3.92 1v5vA1 GLU 236 HB2 -0.12 0.11 0.24 -0.04 2.09 2.28 1v5vA1 GLU 236 HB3 -0.08 -0.04 -0.00 -0.04 1.99 1.82 1v5vA1 GLU 236 HG2 -0.06 -0.05 0.01 -0.04 2.34 2.20 1v5vA1 GLU 236 HG3 -0.10 0.17 0.05 -0.04 2.34 2.42 1v5vA1 GLU 237 H -0.11 0.68 0.05 -0.55 8.60 8.67 1v5vA1 GLU 237 HA -0.07 0.03 0.42 -0.75 4.29 3.92 1v5vA1 GLU 237 HB2 -0.07 0.06 0.08 -0.04 2.09 2.12 1v5vA1 GLU 237 HB3 -0.02 -0.04 0.01 -0.04 1.99 1.91 1v5vA1 GLU 237 HG2 -0.09 0.05 0.06 -0.04 2.34 2.31 1v5vA1 GLU 237 HG3 -0.10 0.01 -0.06 -0.04 2.34 2.14 1v5vA1 GLY 238 H -0.08 0.39 -0.60 -0.55 8.43 7.59 1v5vA1 GLY 238 HA2 0.20 0.05 0.46 -0.51 4.01 4.21 1v5vA1 GLY 238 HA3 -0.02 0.05 0.22 -0.51 4.01 3.75 1v5vA1 LYS 239 H -0.08 0.48 -0.39 -0.55 8.42 7.88 1v5vA1 LYS 239 HA -0.06 0.03 0.41 -0.75 4.32 3.94 1v5vA1 LYS 239 HB2 -0.07 0.17 0.21 -0.04 1.87 2.14 1v5vA1 LYS 239 HB3 -0.08 0.00 0.09 -0.04 1.79 1.76 1v5vA1 LYS 239 HG2 -0.06 -0.03 -0.04 -0.04 1.46 1.29 1v5vA1 LYS 239 HG3 -0.05 -0.00 0.07 -0.04 1.46 1.44 1v5vA1 LYS 239 HD2 -0.04 0.01 0.03 -0.04 1.69 1.65 1v5vA1 LYS 239 HD3 -0.05 -0.01 -0.00 -0.04 1.68 1.58 1v5vA1 LYS 239 HE2 -0.02 -0.03 -0.00 -0.04 2.99 2.90 1v5vA1 LYS 239 HE3 -0.03 -0.01 -0.01 -0.04 2.99 2.90 1v5vA1 LYS 240 H -0.18 0.25 -0.24 -0.55 8.42 7.70 1v5vA1 LYS 240 HA -0.17 0.06 0.38 -0.75 4.32 3.83 1v5vA1 LYS 240 HB2 -0.32 -0.01 0.09 -0.04 1.87 1.58 1v5vA1 LYS 240 HB3 -0.25 -0.01 0.08 -0.04 1.79 1.58 1v5vA1 LYS 240 HG2 -0.60 0.20 0.00 -0.04 1.46 1.02 1v5vA1 LYS 240 HG3 -1.62 0.00 -0.30 -0.04 1.46 -0.50 1v5vA1 LYS 240 HD2 -0.59 -0.03 -0.05 -0.04 1.69 0.99 1v5vA1 LYS 240 HD3 -0.35 -0.04 -0.02 -0.04 1.68 1.23 1v5vA1 LYS 240 HE2 -0.13 -0.05 0.01 -0.04 2.99 2.79 1v5vA1 LYS 240 HE3 -0.18 -0.04 0.04 -0.04 2.99 2.77 1v5vA1 TYR 241 H -0.09 0.31 -0.62 -0.55 8.29 7.33 1v5vA1 TYR 241 HA -0.03 0.18 0.78 -0.75 4.56 4.74 1v5vA1 TYR 241 HB2 -0.04 0.06 -0.02 -0.04 3.06 3.02 1v5vA1 TYR 241 HB3 -0.03 -0.05 0.04 -0.04 2.98 2.89 1v5vA1 TYR 241 HD2 -0.03 0.03 -0.03 -0.04 7.15 7.08 1v5vA1 TYR 241 HE2 -0.02 0.01 -0.09 -0.04 6.85 6.71 1v5vA1 GLY 242 H -0.01 0.45 -0.16 -0.55 8.43 8.16 1v5vA1 GLY 242 HA2 -0.01 0.03 0.33 -0.51 4.01 3.85 1v5vA1 GLY 242 HA3 0.01 0.03 0.51 -0.51 4.01 4.05 1v5vA1 ILE 243 H -0.01 0.33 -0.06 -0.55 8.25 7.96 1v5vA1 ILE 243 HA -0.06 0.34 0.40 -0.75 4.18 4.11 1v5vA1 ILE 243 HB -0.04 0.02 -0.05 -0.04 1.89 1.78 1v5vA1 ILE 243 HG12 -0.22 -0.04 -0.24 -0.04 1.49 0.95 1v5vA1 ILE 243 HG13 -0.14 0.03 -0.36 -0.04 1.21 0.70 1v5vA1 ILE 243 HG23 -0.13 -0.02 -0.34 -0.04 0.93 0.41 1v5vA1 ILE 243 HD13 -0.23 -0.02 -0.27 -0.04 0.88 0.32 1v5vA1 LYS 244 H -0.14 0.29 0.34 -0.55 8.42 8.36 1v5vA1 LYS 244 HA -0.10 0.20 0.80 -0.75 4.32 4.47 1v5vA1 LYS 244 HB2 -0.08 -0.06 0.09 -0.04 1.87 1.78 1v5vA1 LYS 244 HB3 -0.04 -0.04 0.04 -0.04 1.79 1.71 1v5vA1 LYS 244 HG2 -0.04 0.26 -0.36 -0.04 1.46 1.29 1v5vA1 LYS 244 HG3 -0.01 -0.08 -0.06 -0.04 1.46 1.26 1v5vA1 LYS 244 HD2 0.00 -0.14 0.04 -0.04 1.69 1.55 1v5vA1 LYS 244 HD3 -0.03 0.18 0.12 -0.04 1.68 1.91 1v5vA1 LYS 244 HE2 -0.01 0.13 -0.07 -0.04 2.99 3.00 1v5vA1 LYS 244 HE3 0.00 -0.09 -0.03 -0.04 2.99 2.83 1v5vA1 PRO 245 HA -0.34 0.15 0.71 -0.51 4.44 4.45 1v5vA1 PRO 245 HB2 -0.71 -0.02 -0.01 -0.04 2.28 1.50 1v5vA1 PRO 245 HB3 -0.22 0.05 0.07 -0.04 2.02 1.88 1v5vA1 PRO 245 HG2 -0.27 -0.11 0.14 -0.04 2.03 1.75 1v5vA1 PRO 245 HG3 -0.10 0.10 0.05 -0.04 2.03 2.04 1v5vA1 PRO 245 HD2 -0.07 0.11 0.25 -0.04 3.68 3.93 1v5vA1 PRO 245 HD3 -0.13 0.19 0.09 -0.04 3.65 3.76 1v5vA1 CYS 246 H -0.24 0.86 0.39 -0.55 8.50 8.96 1v5vA1 CYS 246 HA 0.08 0.03 1.03 -0.75 4.58 4.96 1v5vA1 CYS 246 HB2 -1.81 0.01 -0.09 -0.04 2.97 1.03 1v5vA1 CYS 246 HB3 -0.51 -0.06 -0.06 -0.04 2.97 2.30 1v5vA1 GLY 247 H 0.26 -0.01 0.11 -0.55 8.43 8.24 1v5vA1 GLY 247 HA2 0.19 0.22 0.57 -0.51 4.01 4.48 1v5vA1 GLY 247 HA3 0.08 -0.01 -0.13 -0.51 4.01 3.44 1v5vA1 LEU 248 H -0.00 0.66 0.37 -0.55 8.37 8.86 1v5vA1 LEU 248 HA 0.08 0.05 0.46 -0.75 4.35 4.19 1v5vA1 LEU 248 HB2 -0.10 0.04 0.10 -0.04 1.64 1.63 1v5vA1 LEU 248 HB3 -0.28 -0.01 0.09 -0.04 1.64 1.40 1v5vA1 LEU 248 HG -0.27 0.15 0.11 -0.04 1.64 1.60 1v5vA1 LEU 248 HD13 -1.04 0.00 -0.01 -0.04 0.93 -0.16 1v5vA1 LEU 248 HD23 -0.26 -0.01 0.00 -0.04 0.89 0.59 1v5vA1 GLY 249 H 0.18 0.53 -0.01 -0.55 8.43 8.60 1v5vA1 GLY 249 HA2 0.18 0.11 0.49 -0.51 4.01 4.27 1v5vA1 GLY 249 HA3 0.23 0.06 0.36 -0.51 4.01 4.16 1v5vA1 ALA 250 H 0.23 0.17 -0.06 -0.55 8.40 8.19 1v5vA1 ALA 250 HA 0.21 0.06 0.50 -0.75 4.34 4.37 1v5vA1 ALA 250 HB3 0.23 0.04 0.03 -0.04 1.41 1.67 1v5vA1 ARG 251 H 0.32 0.29 -0.33 -0.55 8.46 8.19 1v5vA1 ARG 251 HA 0.01 0.04 0.34 -0.75 4.34 3.97 1v5vA1 ARG 251 HB2 0.14 0.04 0.01 -0.04 1.90 2.05 1v5vA1 ARG 251 HB3 0.12 0.11 0.13 -0.04 1.80 2.12 1v5vA1 ARG 251 HG2 0.21 0.03 -0.18 -0.04 1.67 1.68 1v5vA1 ARG 251 HG3 -0.01 -0.03 -0.01 -0.04 1.67 1.58 1v5vA1 ARG 251 HD2 -0.07 -0.02 -0.08 -0.04 3.22 3.01 1v5vA1 ARG 251 HD3 0.03 -0.00 -0.03 -0.04 3.22 3.17 1v5vA1 ASP 252 H 0.15 0.43 -0.31 -0.55 8.40 8.13 1v5vA1 ASP 252 HA 0.12 0.06 0.45 -0.75 4.63 4.51 1v5vA1 ASP 252 HB2 0.17 0.07 0.15 -0.04 2.71 3.06 1v5vA1 ASP 252 HB3 0.12 0.08 0.13 -0.04 2.70 2.98 1v5vA1 THR 253 H 0.13 0.39 -0.01 -0.55 8.28 8.24 1v5vA1 THR 253 HA 0.01 0.06 0.39 -0.75 4.39 4.10 1v5vA1 THR 253 HB -0.07 -0.02 0.06 -0.04 4.32 4.25 1v5vA1 THR 253 HG23 -0.03 0.03 0.05 -0.04 1.22 1.23 1v5vA1 LEU 254 H 0.14 0.59 -0.20 -0.55 8.37 8.36 1v5vA1 LEU 254 HA 0.05 0.02 0.49 -0.75 4.35 4.16 1v5vA1 LEU 254 HB2 0.00 0.10 0.15 -0.04 1.64 1.84 1v5vA1 LEU 254 HB3 -0.07 -0.02 0.07 -0.04 1.64 1.58 1v5vA1 LEU 254 HG -0.08 -0.05 0.09 -0.04 1.64 1.55 1v5vA1 LEU 254 HD13 0.20 -0.02 -0.13 -0.04 0.93 0.94 1v5vA1 LEU 254 HD23 -0.61 0.03 0.03 -0.04 0.89 0.30 1v5vA1 ARG 255 H -0.07 0.46 -0.08 -0.55 8.46 8.21 1v5vA1 ARG 255 HA -0.24 0.06 0.43 -0.75 4.34 3.83 1v5vA1 ARG 255 HB2 -0.78 -0.09 0.05 -0.04 1.90 1.04 1v5vA1 ARG 255 HB3 -0.81 0.12 0.20 -0.04 1.80 1.26 1v5vA1 ARG 255 HG2 0.05 -0.11 -0.01 -0.04 1.67 1.56 1v5vA1 ARG 255 HG3 -0.03 0.16 0.18 -0.04 1.67 1.93 1v5vA1 ARG 255 HD2 -0.00 0.07 -0.58 -0.04 3.22 2.68 1v5vA1 ARG 255 HD3 0.11 -0.01 -0.31 -0.04 3.22 2.97 1v5vA1 LEU 256 H -0.04 0.47 -0.31 -0.55 8.37 7.95 1v5vA1 LEU 256 HA -0.00 0.11 0.34 -0.75 4.35 4.04 1v5vA1 LEU 256 HB2 -0.06 0.10 0.08 -0.04 1.64 1.71 1v5vA1 LEU 256 HB3 -0.16 -0.03 -0.18 -0.04 1.64 1.23 1v5vA1 LEU 256 HG 0.00 0.03 -0.06 -0.04 1.64 1.57 1v5vA1 LEU 256 HD13 -0.06 -0.03 -0.24 -0.04 0.93 0.57 1v5vA1 LEU 256 HD23 -0.02 -0.00 -0.16 -0.04 0.89 0.66 1v5vA1 GLU 257 H -0.01 0.50 -0.17 -0.55 8.60 8.38 1v5vA1 GLU 257 HA -0.03 0.01 0.42 -0.75 4.29 3.94 1v5vA1 GLU 257 HB2 0.15 0.18 0.21 -0.04 2.09 2.59 1v5vA1 GLU 257 HB3 0.31 -0.04 -0.04 -0.04 1.99 2.17 1v5vA1 GLU 257 HG2 0.01 -0.03 0.04 -0.04 2.34 2.32 1v5vA1 GLU 257 HG3 -0.05 0.03 0.06 -0.04 2.34 2.35 1v5vA1 ALA 258 H -0.10 0.44 -0.32 -0.55 8.40 7.87 1v5vA1 ALA 258 HA -0.25 0.00 0.49 -0.75 4.34 3.83 1v5vA1 ALA 258 HB3 -0.66 0.03 -0.08 -0.04 1.41 0.66 1v5vA1 GLY 259 H -0.12 0.25 -0.48 -0.55 8.43 7.54 1v5vA1 GLY 259 HA2 0.24 0.09 0.24 -0.51 4.01 4.07 1v5vA1 GLY 259 HA3 -0.15 0.10 0.65 -0.51 4.01 4.10 1v5vA1 TYR 260 H -0.35 0.25 -0.06 -0.55 8.29 7.57 1v5vA1 TYR 260 HA 0.12 0.04 0.34 -0.75 4.56 4.30 1v5vA1 TYR 260 HB2 -0.17 -0.02 -0.01 -0.04 3.06 2.82 1v5vA1 TYR 260 HB3 0.19 -0.01 0.03 -0.04 2.98 3.15 1v5vA1 TYR 260 HD2 -0.20 0.06 -0.11 -0.04 7.15 6.85 1v5vA1 TYR 260 HE2 -0.03 -0.12 -0.27 -0.04 6.85 6.39 1v5vA1 THR 261 H 0.31 0.07 0.12 -0.55 8.28 8.23 1v5vA1 THR 261 HA 0.16 0.14 0.51 -0.75 4.39 4.45 1v5vA1 THR 261 HB 0.15 -0.16 -0.03 -0.04 4.32 4.23 1v5vA1 THR 261 HG23 0.16 0.05 -0.02 -0.04 1.22 1.37 1v5vA1 LEU 262 H 0.13 0.12 0.14 -0.55 8.37 8.21 1v5vA1 LEU 262 HA 0.27 0.17 0.80 -0.75 4.35 4.83 1v5vA1 LEU 262 HB2 0.25 0.13 -0.09 -0.04 1.64 1.88 1v5vA1 LEU 262 HB3 0.13 -0.05 0.09 -0.04 1.64 1.76 1v5vA1 LEU 262 HG 0.13 0.10 -0.30 -0.04 1.64 1.52 1v5vA1 LEU 262 HD13 0.26 -0.04 0.05 -0.04 0.93 1.15 1v5vA1 LEU 262 HD23 0.18 0.00 -0.04 -0.04 0.89 0.99 1v5vA1 TYR 263 H 0.25 0.15 0.09 -0.55 8.29 8.24 1v5vA1 TYR 263 HA 0.03 0.04 0.49 -0.75 4.56 4.37 1v5vA1 TYR 263 HB2 0.04 -0.05 0.10 -0.04 3.06 3.10 1v5vA1 TYR 263 HB3 0.04 -0.05 0.11 -0.04 2.98 3.03 1v5vA1 TYR 263 HD2 -0.00 -0.09 -0.25 -0.04 7.15 6.77 1v5vA1 TYR 263 HE2 -0.04 0.08 -0.28 -0.04 6.85 6.57 1v5vA1 GLY 264 H -0.72 0.91 0.31 -0.55 8.43 8.39 1v5vA1 GLY 264 HA2 -0.38 0.01 0.40 -0.51 4.01 3.53 1v5vA1 GLY 264 HA3 -0.15 0.10 0.79 -0.51 4.01 4.24 1v5vA1 ASN 265 H -0.10 0.28 -0.21 -0.55 8.53 7.95 1v5vA1 ASN 265 HA -0.08 0.23 0.91 -0.75 4.76 5.07 1v5vA1 ASN 265 HB2 0.01 -0.07 0.15 -0.04 2.88 2.93 1v5vA1 ASN 265 HB3 -0.01 0.08 -0.06 -0.04 2.79 2.76 1v5vA1 ASN 265 HD21 0.01 -0.08 0.06 -0.04 7.03 6.98 1v5vA1 ASN 265 HD22 0.01 0.08 0.15 -0.04 7.74 7.94 1v5vA1 GLU 266 H -0.02 0.21 0.23 -0.55 8.60 8.47 1v5vA1 GLU 266 HA -0.11 0.17 0.56 -0.75 4.29 4.16 1v5vA1 GLU 266 HB2 0.04 -0.21 0.13 -0.04 2.09 2.01 1v5vA1 GLU 266 HB3 -0.01 0.07 -0.06 -0.04 1.99 1.96 1v5vA1 GLU 266 HG2 0.02 0.11 -0.03 -0.04 2.34 2.40 1v5vA1 GLU 266 HG3 -0.01 0.04 -0.08 -0.04 2.34 2.24 1v5vA1 THR 267 H -0.07 0.06 0.02 -0.55 8.28 7.73 1v5vA1 THR 267 HA -0.12 0.24 0.80 -0.75 4.39 4.56 1v5vA1 THR 267 HB 0.17 0.04 -0.08 -0.04 4.32 4.41 1v5vA1 THR 267 HG23 0.07 0.02 -0.19 -0.04 1.22 1.07 1v5vA1 LYS 268 H -0.09 0.35 0.26 -0.55 8.42 8.38 1v5vA1 LYS 268 HA -0.59 0.07 0.44 -0.75 4.32 3.49 1v5vA1 LYS 268 HB2 -0.23 0.05 0.01 -0.04 1.87 1.66 1v5vA1 LYS 268 HB3 -0.36 0.15 -0.36 -0.04 1.79 1.18 1v5vA1 LYS 268 HG2 -0.20 -0.11 -0.29 -0.04 1.46 0.82 1v5vA1 LYS 268 HG3 -0.13 -0.05 -0.44 -0.04 1.46 0.81 1v5vA1 LYS 268 HD2 -0.14 -0.03 -0.21 -0.04 1.69 1.27 1v5vA1 LYS 268 HD3 -0.13 0.04 -0.19 -0.04 1.68 1.36 1v5vA1 LYS 268 HE2 -0.20 0.00 -0.51 -0.04 2.99 2.24 1v5vA1 LYS 268 HE3 -0.24 0.01 -0.47 -0.04 2.99 2.24 1v5vA1 GLU 269 H -0.04 0.27 0.15 -0.55 8.60 8.43 1v5vA1 GLU 269 HA -0.03 0.14 0.87 -0.75 4.29 4.52 1v5vA1 GLU 269 HB2 -0.05 -0.14 -0.09 -0.04 2.09 1.77 1v5vA1 GLU 269 HB3 -0.01 0.12 -0.40 -0.04 1.99 1.66 1v5vA1 GLU 269 HG2 0.04 0.05 0.07 -0.04 2.34 2.46 1v5vA1 GLU 269 HG3 -0.04 0.03 0.02 -0.04 2.34 2.31 1v5vA1 LEU 270 H -0.03 0.53 0.30 -0.55 8.37 8.63 1v5vA1 LEU 270 HA -0.03 0.23 0.74 -0.75 4.35 4.53 1v5vA1 LEU 270 HB2 -0.01 -0.12 0.08 -0.04 1.64 1.55 1v5vA1 LEU 270 HB3 -0.01 0.04 0.01 -0.04 1.64 1.65 1v5vA1 LEU 270 HG -0.04 0.02 -0.23 -0.04 1.64 1.34 1v5vA1 LEU 270 HD13 0.02 -0.00 -0.10 -0.04 0.93 0.81 1v5vA1 LEU 270 HD23 -0.04 0.03 -0.13 -0.04 0.89 0.70 1v5vA1 GLN 271 H -0.03 -0.04 -0.02 -0.55 8.47 7.84 1v5vA1 GLN 271 HA -0.02 -0.05 0.28 -0.75 4.36 3.81 1v5vA1 GLN 271 HB2 -0.02 0.19 -0.11 -0.04 2.15 2.17 1v5vA1 GLN 271 HB3 -0.02 0.03 0.16 -0.04 2.02 2.15 1v5vA1 GLN 271 HG2 -0.05 -0.05 -0.19 -0.04 2.40 2.07 1v5vA1 GLN 271 HG3 -0.04 0.04 -0.07 -0.04 2.39 2.28 1v5vA1 GLN 271 HE21 -0.09 -0.09 -0.01 -0.04 6.97 6.73 1v5vA1 GLN 271 HE22 -0.11 0.05 -0.04 -0.04 7.69 7.54 1v5vA1 LEU 272 H -0.00 -0.14 -0.10 -0.55 8.37 7.58 1v5vA1 LEU 272 HA 0.00 0.08 0.27 -0.75 4.35 3.95 1v5vA1 LEU 272 HB2 0.01 -0.05 -0.03 -0.04 1.64 1.53 1v5vA1 LEU 272 HB3 0.01 0.18 -0.04 -0.04 1.64 1.75 1v5vA1 LEU 272 HG 0.01 -0.22 0.04 -0.04 1.64 1.43 1v5vA1 LEU 272 HD13 0.03 0.05 -0.02 -0.04 0.93 0.95 1v5vA1 LEU 272 HD23 0.02 0.03 -0.03 -0.04 0.89 0.87 1v5vA1 LEU 273 H 0.00 0.09 0.14 -0.55 8.37 8.06 1v5vA1 LEU 273 HA 0.00 0.13 0.65 -0.75 4.35 4.37 1v5vA1 LEU 273 HB2 0.00 -0.00 0.07 -0.04 1.64 1.67 1v5vA1 LEU 273 HB3 0.00 -0.02 0.08 -0.04 1.64 1.66 1v5vA1 LEU 273 HG 0.00 0.03 0.05 -0.04 1.64 1.68 1v5vA1 LEU 273 HD13 0.00 -0.00 0.02 -0.04 0.93 0.91 1v5vA1 LEU 273 HD23 0.00 0.01 0.02 -0.04 0.89 0.88 1v5vA1 SER 274 H 0.00 0.11 0.13 -0.55 8.46 8.16 1v5vA1 SER 274 HA 0.00 0.01 0.33 -0.75 4.49 4.08 1v5vA1 SER 274 HB2 0.00 0.12 -0.15 -0.04 3.95 3.89 1v5vA1 SER 274 HB3 0.00 0.01 0.14 -0.04 3.93 4.04 1v5vA1 THR 275 H 0.01 0.25 -0.13 -0.55 8.28 7.86 1v5vA1 THR 275 HA 0.01 0.12 0.52 -0.75 4.39 4.28 1v5vA1 THR 275 HB 0.01 0.19 -0.15 -0.04 4.32 4.34 1v5vA1 THR 275 HG23 0.01 0.01 -0.37 -0.04 1.22 0.83 1v5vA1 ASP 276 H 0.01 0.20 0.11 -0.55 8.40 8.17 1v5vA1 ASP 276 HA 0.01 0.18 0.81 -0.75 4.63 4.88 1v5vA1 ASP 276 HB2 0.01 -0.01 0.14 -0.04 2.71 2.81 1v5vA1 ASP 276 HB3 0.01 0.01 0.02 -0.04 2.70 2.70 1v5vA1 ILE 277 H 0.01 0.13 -0.16 -0.55 8.25 7.69 1v5vA1 ILE 277 HA 0.02 0.22 0.96 -0.75 4.18 4.63 1v5vA1 ILE 277 HB 0.03 -0.03 0.09 -0.04 1.89 1.94 1v5vA1 ILE 277 HG12 0.03 0.10 -0.03 -0.04 1.49 1.54 1v5vA1 ILE 277 HG13 0.02 -0.19 -0.37 -0.04 1.21 0.63 1v5vA1 ILE 277 HG23 0.04 0.06 -0.05 -0.04 0.93 0.93 1v5vA1 ILE 277 HD13 0.02 -0.00 -0.14 -0.04 0.88 0.72 1v5vA1 ASP 278 H 0.01 0.40 0.12 -0.55 8.40 8.39 1v5vA1 ASP 278 HA 0.01 0.14 0.60 -0.75 4.63 4.63 1v5vA1 ASP 278 HB2 -0.00 0.05 -0.01 -0.04 2.71 2.70 1v5vA1 ASP 278 HB3 -0.01 -0.13 -0.12 -0.04 2.70 2.40 1v5vA1 GLU 279 H 0.01 0.11 0.22 -0.55 8.60 8.40 1v5vA1 GLU 279 HA 0.04 0.06 0.68 -0.75 4.29 4.32 1v5vA1 GLU 279 HB2 0.06 -0.03 0.01 -0.04 2.09 2.09 1v5vA1 GLU 279 HB3 0.11 0.04 0.08 -0.04 1.99 2.18 1v5vA1 GLU 279 HG2 0.09 0.05 -0.06 -0.04 2.34 2.39 1v5vA1 GLU 279 HG3 0.06 -0.02 -0.58 -0.04 2.34 1.76 1v5vA1 VAL 280 H -0.06 0.50 0.20 -0.55 8.24 8.34 1v5vA1 VAL 280 HA 0.03 0.04 0.45 -0.75 4.13 3.90 1v5vA1 VAL 280 HB -0.13 -0.14 0.25 -0.04 2.12 2.05 1v5vA1 VAL 280 HG13 -0.11 0.07 -0.13 -0.04 0.97 0.76 1v5vA1 VAL 280 HG23 -0.37 0.06 -0.05 -0.04 0.95 0.55 1v5vA1 THR 281 H 0.07 0.17 0.18 -0.55 8.28 8.16 1v5vA1 THR 281 HA 0.03 0.28 0.78 -0.75 4.39 4.72 1v5vA1 THR 281 HB 0.07 0.13 0.17 -0.04 4.32 4.64 1v5vA1 THR 281 HG23 0.06 -0.01 -0.11 -0.04 1.22 1.12 1v5vA1 PRO 282 HA 0.02 0.09 0.37 -0.51 4.44 4.40 1v5vA1 PRO 282 HB2 -0.01 0.06 -0.12 -0.04 2.28 2.17 1v5vA1 PRO 282 HB3 -0.09 0.10 -0.11 -0.04 2.02 1.89 1v5vA1 PRO 282 HG2 -0.08 0.10 -0.03 -0.04 2.03 1.99 1v5vA1 PRO 282 HG3 -0.06 0.01 -0.03 -0.04 2.03 1.90 1v5vA1 PRO 282 HD2 0.04 0.12 0.20 -0.04 3.68 4.00 1v5vA1 PRO 282 HD3 0.01 0.33 0.22 -0.04 3.65 4.17 1v5vA1 LEU 283 H 0.10 0.18 -0.24 -0.55 8.37 7.86 1v5vA1 LEU 283 HA 0.13 0.06 0.48 -0.75 4.35 4.27 1v5vA1 LEU 283 HB2 0.12 0.03 -0.00 -0.04 1.64 1.75 1v5vA1 LEU 283 HB3 0.12 0.08 0.06 -0.04 1.64 1.86 1v5vA1 LEU 283 HG 0.19 -0.06 0.03 -0.04 1.64 1.75 1v5vA1 LEU 283 HD13 0.20 0.03 -0.01 -0.04 0.93 1.10 1v5vA1 LEU 283 HD23 0.31 -0.00 -0.06 -0.04 0.89 1.10 1v5vA1 GLN 284 H 0.12 0.17 -0.34 -0.55 8.47 7.87 1v5vA1 GLN 284 HA 0.17 0.27 0.82 -0.75 4.36 4.87 1v5vA1 GLN 284 HB2 0.18 -0.06 0.11 -0.04 2.15 2.34 1v5vA1 GLN 284 HB3 0.47 0.09 0.13 -0.04 2.02 2.66 1v5vA1 GLN 284 HG2 0.15 0.25 0.16 -0.04 2.40 2.92 1v5vA1 GLN 284 HG3 0.13 -0.18 0.05 -0.04 2.39 2.36 1v5vA1 GLN 284 HE21 0.18 -0.07 0.07 -0.04 6.97 7.10 1v5vA1 GLN 284 HE22 0.12 0.33 0.24 -0.04 7.69 8.34 1v5vA1 ALA 285 H 0.11 0.13 -0.36 -0.55 8.40 7.73 1v5vA1 ALA 285 HA 0.13 0.20 0.91 -0.75 4.34 4.83 1v5vA1 ALA 285 HB3 0.06 -0.02 -0.04 -0.04 1.41 1.37 1v5vA1 ASN 286 H 0.13 0.15 -0.23 -0.55 8.53 8.04 1v5vA1 ASN 286 HA 0.15 0.00 0.34 -0.75 4.76 4.49 1v5vA1 ASN 286 HB2 0.15 0.03 -0.18 -0.04 2.88 2.84 1v5vA1 ASN 286 HB3 0.19 0.16 0.14 -0.04 2.79 3.24 1v5vA1 ASN 286 HD21 0.11 0.00 0.05 -0.04 7.03 7.15 1v5vA1 ASN 286 HD22 0.15 0.05 0.04 -0.04 7.74 7.93 1v5vA1 LEU 287 H 0.07 0.55 -0.02 -0.55 8.37 8.42 1v5vA1 LEU 287 HA -0.14 0.25 0.84 -0.75 4.35 4.53 1v5vA1 LEU 287 HB2 -0.04 -0.07 0.03 -0.04 1.64 1.52 1v5vA1 LEU 287 HB3 -0.16 -0.05 0.11 -0.04 1.64 1.50 1v5vA1 LEU 287 HG 0.11 0.15 -0.40 -0.04 1.64 1.46 1v5vA1 LEU 287 HD13 0.13 -0.04 -0.10 -0.04 0.93 0.88 1v5vA1 LEU 287 HD23 0.25 0.05 -0.10 -0.04 0.89 1.05 1v5vA1 GLU 288 H 0.09 0.20 -0.17 -0.55 8.60 8.17 1v5vA1 GLU 288 HA -0.02 0.04 0.29 -0.75 4.29 3.85 1v5vA1 GLU 288 HB2 0.18 -0.01 0.03 -0.04 2.09 2.25 1v5vA1 GLU 288 HB3 0.20 0.06 0.00 -0.04 1.99 2.21 1v5vA1 GLU 288 HG2 0.38 0.06 -0.09 -0.04 2.34 2.64 1v5vA1 GLU 288 HG3 0.44 -0.04 0.06 -0.04 2.34 2.76 1v5vA1 PHE 289 H 0.10 0.11 -0.39 -0.55 8.34 7.61 1v5vA1 PHE 289 HA 0.09 0.12 0.37 -0.75 4.62 4.45 1v5vA1 PHE 289 HB2 0.07 0.04 0.06 -0.04 3.15 3.28 1v5vA1 PHE 289 HB3 0.07 0.01 0.05 -0.04 3.06 3.15 1v5vA1 PHE 289 HD2 0.09 0.01 -0.17 -0.04 7.28 7.17 1v5vA1 PHE 289 HE2 0.02 0.10 0.02 -0.04 7.38 7.48 1v5vA1 PHE 289 HZ -0.15 -0.02 -0.02 -0.04 7.32 7.09 1v5vA1 ALA 290 H -0.59 0.36 -0.51 -0.55 8.40 7.11 1v5vA1 ALA 290 HA -0.02 0.18 0.56 -0.75 4.34 4.30 1v5vA1 ALA 290 HB3 -0.27 -0.02 0.02 -0.04 1.41 1.10 1v5vA1 ILE 291 H -0.21 0.49 -0.43 -0.55 8.25 7.55 1v5vA1 ILE 291 HA -0.52 0.17 0.73 -0.75 4.18 3.81 1v5vA1 ILE 291 HB -0.72 0.11 0.11 -0.04 1.89 1.35 1v5vA1 ILE 291 HG12 -0.55 -0.00 -0.14 -0.04 1.49 0.76 1v5vA1 ILE 291 HG13 -0.36 -0.05 -0.18 -0.04 1.21 0.58 1v5vA1 ILE 291 HG23 -1.63 -0.02 -0.26 -0.04 0.93 -1.02 1v5vA1 ILE 291 HD13 -0.33 -0.03 -0.06 -0.04 0.88 0.42 1v5vA1 TYR 292 H -0.33 0.80 0.17 -0.55 8.29 8.37 1v5vA1 TYR 292 HA -0.07 0.08 0.75 -0.75 4.56 4.57 1v5vA1 TYR 292 HB2 -0.12 -0.14 0.06 -0.04 3.06 2.83 1v5vA1 TYR 292 HB3 -0.16 0.21 0.12 -0.04 2.98 3.11 1v5vA1 TYR 292 HD2 0.00 0.08 -0.03 -0.04 7.15 7.16 1v5vA1 TYR 292 HE2 0.04 0.04 -0.08 -0.04 6.85 6.81 1v5vA1 TRP 293 H 0.06 0.24 -0.00 -0.55 7.97 7.71 1v5vA1 TRP 293 HA 0.11 0.13 0.38 -0.75 4.62 4.49 1v5vA1 TRP 293 HB2 -0.05 -0.01 0.06 -0.04 3.23 3.19 1v5vA1 TRP 293 HB3 -0.02 0.01 0.05 -0.04 3.23 3.23 1v5vA1 TRP 293 HD1 0.03 0.03 0.03 -0.04 7.22 7.27 1v5vA1 TRP 293 HE1 0.04 0.01 -0.01 -0.04 10.20 10.21 1v5vA1 TRP 293 HE3 0.07 0.03 0.03 -0.04 7.59 7.68 1v5vA1 TRP 293 HZ2 0.05 -0.04 -0.03 -0.04 7.44 7.38 1v5vA1 TRP 293 HZ3 0.04 -0.01 -0.03 -0.04 7.13 7.10 1v5vA1 TRP 293 HH2 0.07 -0.06 -0.08 -0.04 7.19 7.08 1v5vA1 ASP 294 H -0.64 0.03 -0.31 -0.55 8.40 6.94 1v5vA1 ASP 294 HA -0.07 0.16 0.57 -0.75 4.63 4.54 1v5vA1 ASP 294 HB2 -0.61 -0.02 0.05 -0.04 2.71 2.09 1v5vA1 ASP 294 HB3 -0.11 0.01 0.18 -0.04 2.70 2.74 1v5vA1 LYS 295 H -0.05 0.42 -0.57 -0.55 8.42 7.67 1v5vA1 LYS 295 HA 0.07 0.07 0.66 -0.75 4.32 4.36 1v5vA1 LYS 295 HB2 0.17 -0.02 0.11 -0.04 1.87 2.09 1v5vA1 LYS 295 HB3 0.23 -0.08 -0.15 -0.04 1.79 1.75 1v5vA1 LYS 295 HG2 0.17 0.11 -0.06 -0.04 1.46 1.64 1v5vA1 LYS 295 HG3 0.30 0.02 -0.44 -0.04 1.46 1.30 1v5vA1 LYS 295 HD2 0.14 0.10 -0.00 -0.04 1.69 1.89 1v5vA1 LYS 295 HD3 0.26 -0.22 -0.05 -0.04 1.68 1.63 1v5vA1 LYS 295 HE2 -0.05 -0.05 -0.14 -0.04 2.99 2.71 1v5vA1 LYS 295 HE3 -0.10 -0.02 -0.04 -0.04 2.99 2.79 1v5vA1 ASP 296 H 0.13 0.11 0.15 -0.55 8.40 8.24 1v5vA1 ASP 296 HA -0.10 0.14 0.88 -0.75 4.63 4.80 1v5vA1 ASP 296 HB2 0.07 -0.01 0.04 -0.04 2.71 2.78 1v5vA1 ASP 296 HB3 0.27 -0.00 0.07 -0.04 2.70 2.99 1v5vA1 PHE 297 H -0.61 0.15 0.23 -0.55 8.34 7.55 1v5vA1 PHE 297 HA -1.01 0.21 0.62 -0.75 4.62 3.68 1v5vA1 PHE 297 HB2 -0.28 0.03 -0.10 -0.04 3.15 2.76 1v5vA1 PHE 297 HB3 -0.24 0.32 -0.04 -0.04 3.06 3.06 1v5vA1 PHE 297 HD2 -0.16 0.16 -0.45 -0.04 7.28 6.79 1v5vA1 PHE 297 HE2 -0.23 0.02 -0.15 -0.04 7.38 6.98 1v5vA1 PHE 297 HZ -0.61 -0.06 -0.08 -0.04 7.32 6.53 1v5vA1 ILE 298 H -0.29 0.68 0.25 -0.55 8.25 8.34 1v5vA1 ILE 298 HA -0.10 -0.07 0.43 -0.75 4.18 3.69 1v5vA1 ILE 298 HB 0.13 0.10 0.14 -0.04 1.89 2.21 1v5vA1 ILE 298 HG12 0.18 -0.06 0.02 -0.04 1.49 1.58 1v5vA1 ILE 298 HG13 -0.07 0.19 0.06 -0.04 1.21 1.35 1v5vA1 ILE 298 HG23 0.21 -0.00 -0.30 -0.04 0.93 0.79 1v5vA1 ILE 298 HD13 0.30 -0.01 -0.01 -0.04 0.88 1.12 1v5vA1 GLY 299 H -0.05 0.11 0.20 -0.55 8.43 8.15 1v5vA1 GLY 299 HA2 -0.01 0.01 0.23 -0.51 4.01 3.74 1v5vA1 GLY 299 HA3 0.03 0.19 0.60 -0.51 4.01 4.31 1v5vA1 LYS 300 H -0.43 0.55 -0.16 -0.55 8.42 7.83 1v5vA1 LYS 300 HA -0.28 0.06 0.32 -0.75 4.32 3.66 1v5vA1 LYS 300 HB2 -1.93 0.12 0.13 -0.04 1.87 0.15 1v5vA1 LYS 300 HB3 -0.51 -0.05 0.18 -0.04 1.79 1.36 1v5vA1 LYS 300 HG2 -0.10 -0.07 -0.16 -0.04 1.46 1.09 1v5vA1 LYS 300 HG3 -0.23 -0.01 0.05 -0.04 1.46 1.23 1v5vA1 LYS 300 HD2 -0.55 0.15 0.17 -0.04 1.69 1.42 1v5vA1 LYS 300 HD3 -0.24 -0.10 0.08 -0.04 1.68 1.38 1v5vA1 LYS 300 HE2 0.10 -0.13 0.02 -0.04 2.99 2.94 1v5vA1 LYS 300 HE3 0.37 -0.01 0.10 -0.04 2.99 3.41 1v5vA1 ASP 301 H -0.12 0.12 -0.08 -0.55 8.40 7.78 1v5vA1 ASP 301 HA -0.02 0.09 0.39 -0.75 4.63 4.33 1v5vA1 ASP 301 HB2 -0.02 -0.00 0.10 -0.04 2.71 2.74 1v5vA1 ASP 301 HB3 -0.01 0.05 0.01 -0.04 2.70 2.71 1v5vA1 ALA 302 H -0.01 0.16 -0.29 -0.55 8.40 7.72 1v5vA1 ALA 302 HA 0.02 0.08 0.45 -0.75 4.34 4.14 1v5vA1 ALA 302 HB3 0.02 0.04 -0.03 -0.04 1.41 1.40 1v5vA1 LEU 303 H 0.08 0.37 -0.20 -0.55 8.37 8.07 1v5vA1 LEU 303 HA 0.14 0.01 0.47 -0.75 4.35 4.22 1v5vA1 LEU 303 HB2 0.37 0.17 0.14 -0.04 1.64 2.28 1v5vA1 LEU 303 HB3 0.46 -0.06 0.04 -0.04 1.64 2.04 1v5vA1 LEU 303 HG 0.12 0.20 0.03 -0.04 1.64 1.95 1v5vA1 LEU 303 HD13 0.12 -0.01 -0.04 -0.04 0.93 0.96 1v5vA1 LEU 303 HD23 0.11 -0.01 0.03 -0.04 0.89 0.99 1v5vA1 LEU 304 H 0.10 0.46 -0.10 -0.55 8.37 8.29 1v5vA1 LEU 304 HA -0.03 0.04 0.44 -0.75 4.35 4.04 1v5vA1 LEU 304 HB2 0.01 0.11 0.16 -0.04 1.64 1.88 1v5vA1 LEU 304 HB3 -0.03 -0.02 0.03 -0.04 1.64 1.58 1v5vA1 LEU 304 HG 0.13 0.14 0.04 -0.04 1.64 1.91 1v5vA1 LEU 304 HD13 -0.00 -0.01 -0.02 -0.04 0.93 0.86 1v5vA1 LEU 304 HD23 -0.13 -0.00 -0.00 -0.04 0.89 0.71 1v5vA1 LYS 305 H 0.03 0.46 -0.18 -0.55 8.42 8.17 1v5vA1 LYS 305 HA -0.00 0.04 0.45 -0.75 4.32 4.05 1v5vA1 LYS 305 HB2 0.02 0.13 0.13 -0.04 1.87 2.11 1v5vA1 LYS 305 HB3 0.01 -0.05 0.00 -0.04 1.79 1.71 1v5vA1 LYS 305 HG2 0.00 -0.04 0.02 -0.04 1.46 1.40 1v5vA1 LYS 305 HG3 0.00 0.16 0.09 -0.04 1.46 1.67 1v5vA1 LYS 305 HD2 0.01 0.02 -0.05 -0.04 1.69 1.63 1v5vA1 LYS 305 HD3 0.01 -0.05 -0.03 -0.04 1.68 1.57 1v5vA1 LYS 305 HE2 0.00 -0.01 -0.02 -0.04 2.99 2.91 1v5vA1 LYS 305 HE3 -0.00 -0.02 -0.08 -0.04 2.99 2.86 1v5vA1 GLN 306 H 0.04 0.51 -0.18 -0.55 8.47 8.30 1v5vA1 GLN 306 HA 0.03 0.06 0.37 -0.75 4.36 4.06 1v5vA1 GLN 306 HB2 0.06 0.10 0.14 -0.04 2.15 2.40 1v5vA1 GLN 306 HB3 0.08 0.04 0.09 -0.04 2.02 2.19 1v5vA1 GLN 306 HG2 0.06 -0.07 -0.22 -0.04 2.40 2.12 1v5vA1 GLN 306 HG3 0.05 0.09 0.02 -0.04 2.39 2.50 1v5vA1 GLN 306 HE21 0.09 -0.16 0.06 -0.04 6.97 6.92 1v5vA1 GLN 306 HE22 0.06 0.11 0.04 -0.04 7.69 7.86 1v5vA1 LYS 307 H 0.02 0.44 -0.32 -0.55 8.42 8.01 1v5vA1 LYS 307 HA 0.01 -0.02 0.43 -0.75 4.32 3.98 1v5vA1 LYS 307 HB2 -0.06 0.18 0.15 -0.04 1.87 2.09 1v5vA1 LYS 307 HB3 -0.07 -0.03 0.01 -0.04 1.79 1.66 1v5vA1 LYS 307 HG2 0.02 -0.08 0.02 -0.04 1.46 1.38 1v5vA1 LYS 307 HG3 0.00 0.15 0.04 -0.04 1.46 1.62 1v5vA1 LYS 307 HD2 -0.33 0.01 -0.00 -0.04 1.69 1.33 1v5vA1 LYS 307 HD3 -0.14 -0.00 0.01 -0.04 1.68 1.50 1v5vA1 LYS 307 HE2 0.04 -0.04 -0.00 -0.04 2.99 2.94 1v5vA1 LYS 307 HE3 -0.15 -0.02 -0.03 -0.04 2.99 2.74 1v5vA1 GLU 308 H -0.01 0.32 -0.30 -0.55 8.60 8.05 1v5vA1 GLU 308 HA -0.02 0.04 0.47 -0.75 4.29 4.03 1v5vA1 GLU 308 HB2 -0.01 0.10 0.10 -0.04 2.09 2.23 1v5vA1 GLU 308 HB3 -0.02 -0.07 0.08 -0.04 1.99 1.95 1v5vA1 GLU 308 HG2 -0.04 -0.06 0.03 -0.04 2.34 2.22 1v5vA1 GLU 308 HG3 -0.03 0.39 0.20 -0.04 2.34 2.86 1v5vA1 ARG 309 H 0.00 0.27 -0.22 -0.55 8.46 7.95 1v5vA1 ARG 309 HA -0.00 0.14 0.85 -0.75 4.34 4.57 1v5vA1 ARG 309 HB2 0.01 0.09 0.05 -0.04 1.90 2.01 1v5vA1 ARG 309 HB3 0.00 -0.07 0.08 -0.04 1.80 1.77 1v5vA1 ARG 309 HG2 -0.00 -0.04 -0.07 -0.04 1.67 1.52 1v5vA1 ARG 309 HG3 0.00 0.18 0.02 -0.04 1.67 1.83 1v5vA1 ARG 309 HD2 0.01 0.01 -0.07 -0.04 3.22 3.13 1v5vA1 ARG 309 HD3 0.01 -0.04 -0.02 -0.04 3.22 3.13 1v5vA1 GLY 310 H 0.01 0.48 -0.06 -0.55 8.43 8.31 1v5vA1 GLY 310 HA2 0.01 -0.02 0.36 -0.51 4.01 3.86 1v5vA1 GLY 310 HA3 0.00 0.14 0.83 -0.51 4.01 4.47 1v5vA1 VAL 311 H 0.02 0.13 0.12 -0.55 8.24 7.96 1v5vA1 VAL 311 HA 0.04 0.15 0.54 -0.75 4.13 4.11 1v5vA1 VAL 311 HB 0.08 -0.04 0.05 -0.04 2.12 2.17 1v5vA1 VAL 311 HG13 0.07 0.02 -0.07 -0.04 0.97 0.95 1v5vA1 VAL 311 HG23 0.04 0.02 -0.13 -0.04 0.95 0.83 1v5vA1 GLY 312 H 0.00 0.05 -0.22 -0.55 8.43 7.72 1v5vA1 GLY 312 HA2 -0.02 0.00 0.36 -0.51 4.01 3.84 1v5vA1 GLY 312 HA3 -0.02 0.14 0.40 -0.51 4.01 4.01 1v5vA1 ARG 313 H -0.07 0.61 0.06 -0.55 8.46 8.51 1v5vA1 ARG 313 HA -0.21 0.15 1.00 -0.75 4.34 4.52 1v5vA1 ARG 313 HB2 -0.69 -0.05 0.02 -0.04 1.90 1.14 1v5vA1 ARG 313 HB3 -1.39 0.05 -0.10 -0.04 1.80 0.31 1v5vA1 ARG 313 HG2 -0.30 0.02 -0.35 -0.04 1.67 1.00 1v5vA1 ARG 313 HG3 -0.21 -0.09 -0.37 -0.04 1.67 0.96 1v5vA1 ARG 313 HD2 -0.62 0.04 -0.19 -0.04 3.22 2.41 1v5vA1 ARG 313 HD3 -0.19 -0.00 -0.13 -0.04 3.22 2.85 1v5vA1 LYS 314 H -0.18 0.69 0.27 -0.55 8.42 8.65 1v5vA1 LYS 314 HA 0.23 0.32 0.88 -0.75 4.32 5.00 1v5vA1 LYS 314 HB2 0.05 -0.02 0.00 -0.04 1.87 1.87 1v5vA1 LYS 314 HB3 0.11 0.08 0.12 -0.04 1.79 2.06 1v5vA1 LYS 314 HG2 0.10 0.05 0.12 -0.04 1.46 1.70 1v5vA1 LYS 314 HG3 0.04 -0.16 -0.44 -0.04 1.46 0.85 1v5vA1 LYS 314 HD2 0.05 0.06 0.00 -0.04 1.69 1.76 1v5vA1 LYS 314 HD3 0.08 0.04 0.04 -0.04 1.68 1.80 1v5vA1 LYS 314 HE2 0.07 0.08 0.06 -0.04 2.99 3.17 1v5vA1 LYS 314 HE3 0.04 -0.13 -0.03 -0.04 2.99 2.83 1v5vA1 LEU 315 H 0.22 0.20 0.23 -0.55 8.37 8.48 1v5vA1 LEU 315 HA 0.25 0.24 0.82 -0.75 4.35 4.90 1v5vA1 LEU 315 HB2 0.13 0.00 0.06 -0.04 1.64 1.80 1v5vA1 LEU 315 HB3 0.04 -0.02 0.03 -0.04 1.64 1.65 1v5vA1 LEU 315 HG 0.16 0.11 0.12 -0.04 1.64 1.99 1v5vA1 LEU 315 HD13 0.06 0.01 -0.02 -0.04 0.93 0.94 1v5vA1 LEU 315 HD23 0.06 0.01 -0.07 -0.04 0.89 0.84 1v5vA1 VAL 316 H 0.11 0.46 0.39 -0.55 8.24 8.64 1v5vA1 VAL 316 HA 0.16 0.16 0.69 -0.75 4.13 4.38 1v5vA1 VAL 316 HB 0.12 0.02 -0.23 -0.04 2.12 1.99 1v5vA1 VAL 316 HG13 0.15 -0.00 -0.18 -0.04 0.97 0.89 1v5vA1 VAL 316 HG23 0.14 0.09 0.01 -0.04 0.95 1.15 1v5vA1 HIS 317 H 0.29 0.26 0.20 -0.55 8.41 8.61 1v5vA1 HIS 317 HA 0.14 0.19 1.01 -0.75 4.63 5.22 1v5vA1 HIS 317 HB2 -0.12 0.20 0.11 -0.04 3.26 3.41 1v5vA1 HIS 317 HB3 -0.10 0.01 0.04 -0.04 3.20 3.11 1v5vA1 HIS 317 HD2 0.20 0.02 -0.01 -0.04 6.97 7.14 1v5vA1 HIS 317 HE1 0.06 -0.01 -0.04 -0.04 7.75 7.72 1v5vA1 PHE 318 H -0.02 0.60 0.35 -0.55 8.34 8.72 1v5vA1 PHE 318 HA 0.14 0.14 0.82 -0.75 4.62 4.97 1v5vA1 PHE 318 HB2 0.10 0.02 -0.24 -0.04 3.15 2.98 1v5vA1 PHE 318 HB3 0.10 0.03 -0.43 -0.04 3.06 2.72 1v5vA1 PHE 318 HD2 0.08 0.07 -0.50 -0.04 7.28 6.89 1v5vA1 PHE 318 HE2 0.04 -0.01 -0.49 -0.04 7.38 6.88 1v5vA1 PHE 318 HZ 0.02 -0.03 -0.26 -0.04 7.32 7.01 1v5vA1 LYS 319 H 0.31 0.64 0.32 -0.55 8.42 9.13 1v5vA1 LYS 319 HA 0.07 0.14 1.05 -0.75 4.32 4.83 1v5vA1 LYS 319 HB2 0.14 0.08 0.12 -0.04 1.87 2.16 1v5vA1 LYS 319 HB3 0.40 -0.04 -0.04 -0.04 1.79 2.06 1v5vA1 LYS 319 HG2 0.16 0.02 0.03 -0.04 1.46 1.63 1v5vA1 LYS 319 HG3 0.13 0.01 -0.16 -0.04 1.46 1.40 1v5vA1 LYS 319 HD2 0.11 0.04 -0.04 -0.04 1.69 1.76 1v5vA1 LYS 319 HD3 0.15 -0.00 -0.04 -0.04 1.68 1.75 1v5vA1 LYS 319 HE2 0.06 -0.02 -0.06 -0.04 2.99 2.93 1v5vA1 LYS 319 HE3 0.07 -0.01 -0.07 -0.04 2.99 2.94 1v5vA1 MET 320 H 0.09 0.77 0.26 -0.55 8.47 9.05 1v5vA1 MET 320 HA 0.17 0.00 0.64 -0.75 4.52 4.57 1v5vA1 MET 320 HB2 0.06 -0.14 0.16 -0.04 2.15 2.19 1v5vA1 MET 320 HB3 0.09 0.21 0.04 -0.04 2.03 2.32 1v5vA1 MET 320 HG2 0.13 -0.02 -0.12 -0.04 2.63 2.58 1v5vA1 MET 320 HG3 0.10 0.22 0.01 -0.04 2.56 2.85 1v5vA1 MET 320 HE3 0.10 0.04 -0.26 -0.04 2.10 1.94 1v5vA1 ILE 321 H 0.08 0.49 0.37 -0.55 8.25 8.64 1v5vA1 ILE 321 HA 0.05 0.15 0.78 -0.75 4.18 4.40 1v5vA1 ILE 321 HB 0.04 -0.08 -0.04 -0.04 1.89 1.77 1v5vA1 ILE 321 HG12 0.06 0.06 -0.11 -0.04 1.49 1.45 1v5vA1 ILE 321 HG13 0.08 -0.03 -0.23 -0.04 1.21 0.98 1v5vA1 ILE 321 HG23 0.03 -0.01 -0.09 -0.04 0.93 0.82 1v5vA1 ILE 321 HD13 0.04 -0.01 -0.15 -0.04 0.88 0.72 1v5vA1 ASP 322 H 0.05 0.22 0.23 -0.55 8.40 8.35 1v5vA1 ASP 322 HA 0.02 0.11 0.59 -0.75 4.63 4.60 1v5vA1 ASP 322 HB2 0.03 0.01 0.14 -0.04 2.71 2.86 1v5vA1 ASP 322 HB3 0.02 -0.01 0.23 -0.04 2.70 2.90 1v5vA1 LYS 323 H 0.02 0.06 0.16 -0.55 8.42 8.10 1v5vA1 LYS 323 HA 0.02 0.18 0.63 -0.75 4.32 4.40 1v5vA1 LYS 323 HB2 0.02 -0.01 0.02 -0.04 1.87 1.85 1v5vA1 LYS 323 HB3 0.01 -0.05 0.09 -0.04 1.79 1.80 1v5vA1 LYS 323 HG2 0.01 0.10 -0.04 -0.04 1.46 1.49 1v5vA1 LYS 323 HG3 0.01 -0.03 0.09 -0.04 1.46 1.48 1v5vA1 LYS 323 HD2 0.01 -0.02 0.02 -0.04 1.69 1.65 1v5vA1 LYS 323 HD3 0.01 -0.02 0.01 -0.04 1.68 1.63 1v5vA1 LYS 323 HE2 0.00 -0.02 0.01 -0.04 2.99 2.94 1v5vA1 LYS 323 HE3 0.00 0.06 0.00 -0.04 2.99 3.02 1v5vA1 GLY 324 H 0.03 0.09 0.04 -0.55 8.43 8.04 1v5vA1 GLY 324 HA2 0.06 -0.05 0.31 -0.51 4.01 3.82 1v5vA1 GLY 324 HA3 0.07 0.22 0.68 -0.51 4.01 4.47 1v5vA1 ILE 325 H 0.09 0.19 0.06 -0.55 8.25 8.04 1v5vA1 ILE 325 HA 0.03 0.18 0.80 -0.75 4.18 4.44 1v5vA1 ILE 325 HB 0.04 -0.01 0.05 -0.04 1.89 1.93 1v5vA1 ILE 325 HG12 0.02 -0.09 -0.15 -0.04 1.49 1.23 1v5vA1 ILE 325 HG13 -0.00 -0.00 -0.08 -0.04 1.21 1.08 1v5vA1 ILE 325 HG23 -0.02 0.05 -0.25 -0.04 0.93 0.67 1v5vA1 ILE 325 HD13 -0.02 0.05 -0.24 -0.04 0.88 0.63 1v5vA1 PRO 326 HA 0.14 0.06 0.45 -0.51 4.44 4.58 1v5vA1 PRO 326 HB2 0.28 0.04 -0.17 -0.04 2.28 2.39 1v5vA1 PRO 326 HB3 0.34 0.05 -0.14 -0.04 2.02 2.22 1v5vA1 PRO 326 HG2 -0.01 -0.03 0.02 -0.04 2.03 1.96 1v5vA1 PRO 326 HG3 0.13 0.05 -0.29 -0.04 2.03 1.88 1v5vA1 PRO 326 HD2 0.01 0.02 0.22 -0.04 3.68 3.89 1v5vA1 PRO 326 HD3 0.13 0.25 -0.02 -0.04 3.65 3.96 1v5vA1 ARG 327 H -1.04 0.24 0.10 -0.55 8.46 7.21 1v5vA1 ARG 327 HA -0.23 0.12 0.59 -0.75 4.34 4.06 1v5vA1 ARG 327 HB2 -1.04 -0.01 -0.07 -0.04 1.90 0.74 1v5vA1 ARG 327 HB3 -0.27 0.01 0.02 -0.04 1.80 1.52 1v5vA1 ARG 327 HG2 -0.18 0.07 -0.74 -0.04 1.67 0.78 1v5vA1 ARG 327 HG3 -0.06 -0.03 -0.13 -0.04 1.67 1.40 1v5vA1 ARG 327 HD2 -0.11 0.16 0.10 -0.04 3.22 3.33 1v5vA1 ARG 327 HD3 -0.04 -0.08 -0.11 -0.04 3.22 2.95 1v5vA1 GLU 328 H -0.13 0.11 0.01 -0.55 8.60 8.04 1v5vA1 GLU 328 HA -0.04 0.10 -0.04 -0.75 4.29 3.55 1v5vA1 GLU 328 HB2 -0.04 0.05 0.05 -0.04 2.09 2.11 1v5vA1 GLU 328 HB3 -0.03 -0.07 0.09 -0.04 1.99 1.94 1v5vA1 GLU 328 HG2 -0.01 -0.04 -0.12 -0.04 2.34 2.13 1v5vA1 GLU 328 HG3 -0.01 0.08 0.15 -0.04 2.34 2.52 1v5vA1 GLY 329 H 0.03 0.68 0.24 -0.55 8.43 8.83 1v5vA1 GLY 329 HA2 0.06 0.00 0.38 -0.51 4.01 3.95 1v5vA1 GLY 329 HA3 0.10 0.13 0.71 -0.51 4.01 4.44 1v5vA1 TYR 330 H 0.17 0.44 -0.22 -0.55 8.29 8.13 1v5vA1 TYR 330 HA 0.03 0.01 0.48 -0.75 4.56 4.33 1v5vA1 TYR 330 HB2 0.05 -0.06 0.12 -0.04 3.06 3.13 1v5vA1 TYR 330 HB3 0.04 0.09 0.01 -0.04 2.98 3.08 1v5vA1 TYR 330 HD2 0.04 -0.03 -0.11 -0.04 7.15 7.01 1v5vA1 TYR 330 HE2 0.04 0.09 -0.00 -0.04 6.85 6.94 1v5vA1 LYS 331 H 0.08 0.08 0.28 -0.55 8.42 8.31 1v5vA1 LYS 331 HA -0.05 0.21 0.72 -0.75 4.32 4.45 1v5vA1 LYS 331 HB2 0.14 -0.10 0.14 -0.04 1.87 2.02 1v5vA1 LYS 331 HB3 -0.27 0.03 0.06 -0.04 1.79 1.57 1v5vA1 LYS 331 HG2 -0.03 0.08 0.08 -0.04 1.46 1.55 1v5vA1 LYS 331 HG3 0.03 -0.00 0.14 -0.04 1.46 1.59 1v5vA1 LYS 331 HD2 0.10 -0.05 0.02 -0.04 1.69 1.73 1v5vA1 LYS 331 HD3 -0.04 0.00 0.02 -0.04 1.68 1.63 1v5vA1 LYS 331 HE2 0.02 -0.01 0.01 -0.04 2.99 2.97 1v5vA1 LYS 331 HE3 -0.00 0.03 0.02 -0.04 2.99 2.99 1v5vA1 VAL 332 H -0.23 0.69 0.36 -0.55 8.24 8.51 1v5vA1 VAL 332 HA -0.06 0.29 1.03 -0.75 4.13 4.65 1v5vA1 VAL 332 HB -0.17 -0.08 -0.21 -0.04 2.12 1.61 1v5vA1 VAL 332 HG13 -0.21 0.01 -0.26 -0.04 0.97 0.47 1v5vA1 VAL 332 HG23 -0.14 0.01 -0.37 -0.04 0.95 0.41 1v5vA1 TYR 333 H 0.08 0.76 0.33 -0.55 8.29 8.91 1v5vA1 TYR 333 HA -0.14 0.19 0.93 -0.75 4.56 4.78 1v5vA1 TYR 333 HB2 -0.07 -0.04 -0.11 -0.04 3.06 2.80 1v5vA1 TYR 333 HB3 -0.08 -0.09 -0.33 -0.04 2.98 2.45 1v5vA1 TYR 333 HD2 -0.06 0.10 -0.41 -0.04 7.15 6.73 1v5vA1 TYR 333 HE2 -0.04 0.00 -0.13 -0.04 6.85 6.64 1v5vA1 ALA 334 H -0.06 0.65 0.10 -0.55 8.40 8.54 1v5vA1 ALA 334 HA -0.03 0.17 0.82 -0.75 4.34 4.55 1v5vA1 ALA 334 HB3 -0.28 0.04 -0.00 -0.04 1.41 1.13 1v5vA1 ASN 335 H 0.02 0.24 0.09 -0.55 8.53 8.34 1v5vA1 ASN 335 HA 0.02 0.05 0.32 -0.75 4.76 4.40 1v5vA1 ASN 335 HB2 0.05 0.20 0.03 -0.04 2.88 3.13 1v5vA1 ASN 335 HB3 0.04 0.00 0.23 -0.04 2.79 3.02 1v5vA1 ASN 335 HD21 0.12 0.04 -0.05 -0.04 7.03 7.09 1v5vA1 ASN 335 HD22 0.15 0.05 -0.18 -0.04 7.74 7.73 1v5vA1 GLY 336 H 0.03 0.01 -0.45 -0.55 8.43 7.47 1v5vA1 GLY 336 HA2 -0.01 -0.02 0.19 -0.51 4.01 3.66 1v5vA1 GLY 336 HA3 0.01 0.18 0.54 -0.51 4.01 4.23 1v5vA1 GLU 337 H 0.03 0.50 -0.49 -0.55 8.60 8.10 1v5vA1 GLU 337 HA 0.08 0.15 0.93 -0.75 4.29 4.69 1v5vA1 GLU 337 HB2 0.03 0.00 -0.01 -0.04 2.09 2.07 1v5vA1 GLU 337 HB3 0.01 0.12 0.09 -0.04 1.99 2.18 1v5vA1 GLU 337 HG2 -0.07 0.03 -0.59 -0.04 2.34 1.68 1v5vA1 GLU 337 HG3 -0.01 -0.02 -0.05 -0.04 2.34 2.23 1v5vA1 MET 338 H 0.02 0.15 0.15 -0.55 8.47 8.24 1v5vA1 MET 338 HA -0.60 0.09 0.55 -0.75 4.52 3.81 1v5vA1 MET 338 HB2 -0.25 -0.01 0.15 -0.04 2.15 2.00 1v5vA1 MET 338 HB3 -0.16 -0.01 0.19 -0.04 2.03 2.01 1v5vA1 MET 338 HG2 -0.37 -0.04 0.03 -0.04 2.63 2.20 1v5vA1 MET 338 HG3 -0.79 -0.03 0.05 -0.04 2.56 1.75 1v5vA1 MET 338 HE3 -0.06 -0.01 0.01 -0.04 2.10 2.01 1v5vA1 ILE 339 H -0.34 0.50 0.40 -0.55 8.25 8.26 1v5vA1 ILE 339 HA -0.19 0.24 1.12 -0.75 4.18 4.60 1v5vA1 ILE 339 HB -0.34 -0.13 0.15 -0.04 1.89 1.53 1v5vA1 ILE 339 HG12 -0.32 -0.01 -0.23 -0.04 1.49 0.88 1v5vA1 ILE 339 HG13 -0.24 0.01 -0.32 -0.04 1.21 0.61 1v5vA1 ILE 339 HG23 -0.81 0.07 -0.07 -0.04 0.93 0.08 1v5vA1 ILE 339 HD13 -0.38 0.00 -0.21 -0.04 0.88 0.25 1v5vA1 GLY 340 H -0.24 0.27 0.22 -0.55 8.43 8.13 1v5vA1 GLY 340 HA2 -0.09 0.04 0.35 -0.51 4.01 3.80 1v5vA1 GLY 340 HA3 -0.09 0.28 0.71 -0.51 4.01 4.41 1v5vA1 GLU 341 H 0.03 0.47 0.28 -0.55 8.60 8.84 1v5vA1 GLU 341 HA -0.01 0.21 0.94 -0.75 4.29 4.68 1v5vA1 GLU 341 HB2 0.06 -0.01 -0.04 -0.04 2.09 2.05 1v5vA1 GLU 341 HB3 0.05 0.07 -0.08 -0.04 1.99 1.99 1v5vA1 GLU 341 HG2 0.02 0.03 -0.08 -0.04 2.34 2.27 1v5vA1 GLU 341 HG3 -0.02 0.06 -0.32 -0.04 2.34 2.02 1v5vA1 VAL 342 H 0.07 0.70 0.15 -0.55 8.24 8.61 1v5vA1 VAL 342 HA 0.15 0.08 0.57 -0.75 4.13 4.18 1v5vA1 VAL 342 HB 0.05 0.03 0.03 -0.04 2.12 2.19 1v5vA1 VAL 342 HG13 0.10 -0.03 -0.46 -0.04 0.97 0.54 1v5vA1 VAL 342 HG23 0.14 0.02 -0.15 -0.04 0.95 0.92 1v5vA1 THR 343 H 0.10 0.72 0.41 -0.55 8.28 8.95 1v5vA1 THR 343 HA 0.01 0.17 0.91 -0.75 4.39 4.72 1v5vA1 THR 343 HB -0.03 0.01 -0.32 -0.04 4.32 3.94 1v5vA1 THR 343 HG23 0.01 0.01 -0.09 -0.04 1.22 1.10 1v5vA1 SER 344 H 0.03 0.41 0.26 -0.55 8.46 8.61 1v5vA1 SER 344 HA -0.02 0.10 0.65 -0.75 4.49 4.46 1v5vA1 SER 344 HB2 -0.01 -0.03 -0.00 -0.04 3.95 3.87 1v5vA1 SER 344 HB3 -0.01 0.05 -0.02 -0.04 3.93 3.91 1v5vA1 GLY 345 H -0.05 0.26 0.19 -0.55 8.43 8.28 1v5vA1 GLY 345 HA2 -0.13 0.26 0.81 -0.51 4.01 4.44 1v5vA1 GLY 345 HA3 -0.07 0.14 0.05 -0.51 4.01 3.62 1v5vA1 THR 346 H -0.13 0.61 0.43 -0.55 8.28 8.64 1v5vA1 THR 346 HA -0.06 0.07 0.49 -0.75 4.39 4.13 1v5vA1 THR 346 HB -0.05 0.11 -0.23 -0.04 4.32 4.11 1v5vA1 THR 346 HG23 -0.13 -0.00 -0.34 -0.04 1.22 0.71 1v5vA1 LEU 347 H -0.08 0.14 0.13 -0.55 8.37 8.01 1v5vA1 LEU 347 HA -0.09 0.14 0.63 -0.75 4.35 4.28 1v5vA1 LEU 347 HB2 -0.06 0.00 -0.02 -0.04 1.64 1.52 1v5vA1 LEU 347 HB3 -0.09 -0.06 0.11 -0.04 1.64 1.55 1v5vA1 LEU 347 HG -0.11 0.02 -0.48 -0.04 1.64 1.02 1v5vA1 LEU 347 HD13 -0.06 0.03 -0.31 -0.04 0.93 0.55 1v5vA1 LEU 347 HD23 -0.07 -0.01 -0.10 -0.04 0.89 0.67 1v5vA1 SER 348 H -0.15 0.61 0.21 -0.55 8.46 8.59 1v5vA1 SER 348 HA -0.24 0.14 0.56 -0.75 4.49 4.20 1v5vA1 SER 348 HB2 -0.25 0.12 0.10 -0.04 3.95 3.88 1v5vA1 SER 348 HB3 -0.15 0.12 0.25 -0.04 3.93 4.11 1v5vA1 PRO 349 HA -0.18 0.10 0.41 -0.51 4.44 4.26 1v5vA1 PRO 349 HB2 -0.53 0.04 0.01 -0.04 2.28 1.76 1v5vA1 PRO 349 HB3 -0.21 -0.01 0.10 -0.04 2.02 1.86 1v5vA1 PRO 349 HG2 -0.72 -0.01 0.03 -0.04 2.03 1.28 1v5vA1 PRO 349 HG3 -0.30 0.02 -0.00 -0.04 2.03 1.70 1v5vA1 PRO 349 HD2 -1.04 0.08 0.19 -0.04 3.68 2.87 1v5vA1 PRO 349 HD3 -0.38 0.37 0.36 -0.04 3.65 3.96 1v5vA1 LEU 350 H -0.20 0.03 -0.22 -0.55 8.37 7.44 1v5vA1 LEU 350 HA -0.08 0.17 0.53 -0.75 4.35 4.21 1v5vA1 LEU 350 HB2 -0.06 -0.09 0.05 -0.04 1.64 1.51 1v5vA1 LEU 350 HB3 -0.10 0.09 -0.10 -0.04 1.64 1.48 1v5vA1 LEU 350 HG -0.07 -0.07 -0.07 -0.04 1.64 1.39 1v5vA1 LEU 350 HD13 -0.60 0.01 -0.05 -0.04 0.93 0.25 1v5vA1 LEU 350 HD23 -0.30 0.03 -0.03 -0.04 0.89 0.55 1v5vA1 LEU 351 H -0.07 -0.06 -0.10 -0.55 8.37 7.60 1v5vA1 LEU 351 HA -0.00 0.16 0.51 -0.75 4.35 4.27 1v5vA1 LEU 351 HB2 -0.05 -0.10 0.10 -0.04 1.64 1.55 1v5vA1 LEU 351 HB3 0.00 0.08 -0.02 -0.04 1.64 1.66 1v5vA1 LEU 351 HG 0.05 0.07 -0.01 -0.04 1.64 1.71 1v5vA1 LEU 351 HD13 0.03 -0.04 -0.16 -0.04 0.93 0.72 1v5vA1 LEU 351 HD23 0.10 0.06 0.00 -0.04 0.89 1.01 1v5vA1 ASN 352 H -0.08 0.36 -0.12 -0.55 8.53 8.15 1v5vA1 ASN 352 HA -0.07 0.04 0.25 -0.75 4.76 4.22 1v5vA1 ASN 352 HB2 -0.04 0.04 -0.30 -0.04 2.88 2.54 1v5vA1 ASN 352 HB3 -0.02 0.31 0.17 -0.04 2.79 3.21 1v5vA1 ASN 352 HD21 -0.02 -0.08 0.04 -0.04 7.03 6.92 1v5vA1 ASN 352 HD22 -0.01 0.06 0.04 -0.04 7.74 7.78 1v5vA1 VAL 353 H -0.06 0.13 0.02 -0.55 8.24 7.78 1v5vA1 VAL 353 HA -0.02 0.12 0.59 -0.75 4.13 4.07 1v5vA1 VAL 353 HB 0.01 0.10 0.07 -0.04 2.12 2.26 1v5vA1 VAL 353 HG13 0.01 0.04 -0.22 -0.04 0.97 0.76 1v5vA1 VAL 353 HG23 -0.00 -0.02 -0.16 -0.04 0.95 0.72 1v5vA1 GLY 354 H -0.00 0.23 0.17 -0.55 8.43 8.29 1v5vA1 GLY 354 HA2 -0.08 0.11 0.75 -0.51 4.01 4.27 1v5vA1 GLY 354 HA3 -0.01 0.13 0.48 -0.51 4.01 4.11 1v5vA1 ILE 355 H -0.21 0.63 0.54 -0.55 8.25 8.67 1v5vA1 ILE 355 HA -0.33 0.20 0.97 -0.75 4.18 4.27 1v5vA1 ILE 355 HB -1.45 0.10 0.14 -0.04 1.89 0.63 1v5vA1 ILE 355 HG12 -0.37 -0.05 0.01 -0.04 1.49 1.04 1v5vA1 ILE 355 HG13 -0.47 -0.04 -0.24 -0.04 1.21 0.43 1v5vA1 ILE 355 HG23 -0.40 0.01 -0.11 -0.04 0.93 0.39 1v5vA1 ILE 355 HD13 -0.68 0.01 -0.17 -0.04 0.88 0.00 1v5vA1 GLY 356 H -0.72 0.65 0.38 -0.55 8.43 8.20 1v5vA1 GLY 356 HA2 -0.30 0.00 0.42 -0.51 4.01 3.61 1v5vA1 GLY 356 HA3 -0.53 0.07 0.49 -0.51 4.01 3.52 1v5vA1 ILE 357 H -0.06 0.54 0.38 -0.55 8.25 8.56 1v5vA1 ILE 357 HA -0.03 0.35 1.02 -0.75 4.18 4.77 1v5vA1 ILE 357 HB -0.03 -0.17 0.06 -0.04 1.89 1.71 1v5vA1 ILE 357 HG12 -0.48 0.11 -0.09 -0.04 1.49 0.99 1v5vA1 ILE 357 HG13 -0.07 -0.12 -0.41 -0.04 1.21 0.57 1v5vA1 ILE 357 HG23 -0.11 0.01 -0.09 -0.04 0.93 0.69 1v5vA1 ILE 357 HD13 -0.01 0.00 -0.17 -0.04 0.88 0.66 1v5vA1 ALA 358 H 0.19 0.72 0.38 -0.55 8.40 9.13 1v5vA1 ALA 358 HA 0.17 0.03 0.97 -0.75 4.34 4.75 1v5vA1 ALA 358 HB3 0.12 0.02 -0.26 -0.04 1.41 1.24 1v5vA1 PHE 359 H 0.20 0.63 0.23 -0.55 8.34 8.85 1v5vA1 PHE 359 HA 0.03 0.22 0.73 -0.75 4.62 4.85 1v5vA1 PHE 359 HB2 0.01 -0.02 0.01 -0.04 3.15 3.12 1v5vA1 PHE 359 HB3 0.00 -0.05 0.19 -0.04 3.06 3.16 1v5vA1 PHE 359 HD2 0.01 0.01 -0.19 -0.04 7.28 7.08 1v5vA1 PHE 359 HE2 0.02 0.06 -0.14 -0.04 7.38 7.28 1v5vA1 PHE 359 HZ 0.02 -0.07 -0.04 -0.04 7.32 7.19 1v5vA1 VAL 360 H -0.04 0.70 0.21 -0.55 8.24 8.56 1v5vA1 VAL 360 HA -0.13 0.29 1.14 -0.75 4.13 4.67 1v5vA1 VAL 360 HB -0.05 -0.03 -0.02 -0.04 2.12 1.99 1v5vA1 VAL 360 HG13 -0.04 -0.05 -0.53 -0.04 0.97 0.30 1v5vA1 VAL 360 HG23 0.06 0.07 -0.34 -0.04 0.95 0.70 1v5vA1 LYS 361 H -0.05 0.45 0.31 -0.55 8.42 8.58 1v5vA1 LYS 361 HA -0.06 0.16 0.59 -0.75 4.32 4.26 1v5vA1 LYS 361 HB2 0.29 -0.05 0.18 -0.04 1.87 2.25 1v5vA1 LYS 361 HB3 0.09 -0.04 0.12 -0.04 1.79 1.92 1v5vA1 LYS 361 HG2 -0.03 0.01 0.12 -0.04 1.46 1.52 1v5vA1 LYS 361 HG3 -0.04 0.16 0.23 -0.04 1.46 1.77 1v5vA1 LYS 361 HD2 0.09 -0.01 0.06 -0.04 1.69 1.79 1v5vA1 LYS 361 HD3 0.06 -0.03 0.06 -0.04 1.68 1.72 1v5vA1 LYS 361 HE2 -0.02 -0.03 0.03 -0.04 2.99 2.93 1v5vA1 LYS 361 HE3 -0.05 0.14 0.11 -0.04 2.99 3.14 1v5vA1 GLU 362 H -0.04 0.68 0.34 -0.55 8.60 9.03 1v5vA1 GLU 362 HA 0.00 0.10 0.18 -0.75 4.29 3.82 1v5vA1 GLU 362 HB2 0.00 0.04 -0.08 -0.04 2.09 2.01 1v5vA1 GLU 362 HB3 -0.02 0.02 -0.32 -0.04 1.99 1.62 1v5vA1 GLU 362 HG2 -0.01 0.00 -0.07 -0.04 2.34 2.22 1v5vA1 GLU 362 HG3 -0.03 -0.07 -0.10 -0.04 2.34 2.11 1v5vA1 GLU 363 H -0.04 0.07 -0.30 -0.55 8.60 7.79 1v5vA1 GLU 363 HA -0.10 0.09 0.37 -0.75 4.29 3.90 1v5vA1 GLU 363 HB2 -0.31 0.03 0.05 -0.04 2.09 1.82 1v5vA1 GLU 363 HB3 -0.14 -0.02 0.06 -0.04 1.99 1.85 1v5vA1 GLU 363 HG2 -0.50 0.05 -0.15 -0.04 2.34 1.70 1v5vA1 GLU 363 HG3 -0.49 0.01 -0.08 -0.04 2.34 1.75 1v5vA1 TYR 364 H 0.09 0.53 -0.44 -0.55 8.29 7.91 1v5vA1 TYR 364 HA 0.00 0.16 0.71 -0.75 4.56 4.68 1v5vA1 TYR 364 HB2 -0.03 0.10 -0.06 -0.04 3.06 3.04 1v5vA1 TYR 364 HB3 -0.01 -0.04 0.03 -0.04 2.98 2.92 1v5vA1 TYR 364 HD2 -0.02 0.03 -0.04 -0.04 7.15 7.08 1v5vA1 TYR 364 HE2 -0.01 -0.02 -0.06 -0.04 6.85 6.72 1v5vA1 ALA 365 H 0.05 0.42 -0.35 -0.55 8.40 7.98 1v5vA1 ALA 365 HA 0.10 0.06 0.49 -0.75 4.34 4.23 1v5vA1 ALA 365 HB3 0.07 0.04 0.03 -0.04 1.41 1.51 1v5vA1 LYS 366 H 0.08 0.61 -0.20 -0.55 8.42 8.36 1v5vA1 LYS 366 HA 0.04 0.13 0.67 -0.75 4.32 4.39 1v5vA1 LYS 366 HB2 0.02 -0.02 -0.15 -0.04 1.87 1.68 1v5vA1 LYS 366 HB3 0.01 0.03 0.01 -0.04 1.79 1.79 1v5vA1 LYS 366 HG2 0.00 0.00 -0.11 -0.04 1.46 1.31 1v5vA1 LYS 366 HG3 0.01 -0.08 -0.83 -0.04 1.46 0.51 1v5vA1 LYS 366 HD2 -0.04 0.06 -0.08 -0.04 1.69 1.59 1v5vA1 LYS 366 HD3 -0.02 -0.06 -0.06 -0.04 1.68 1.50 1v5vA1 LYS 366 HE2 -0.03 -0.06 -0.05 -0.04 2.99 2.81 1v5vA1 LYS 366 HE3 -0.05 0.02 -0.10 -0.04 2.99 2.83 1v5vA1 PRO 367 HA 0.04 0.05 0.28 -0.51 4.44 4.31 1v5vA1 PRO 367 HB2 -0.01 0.03 -0.05 -0.04 2.28 2.21 1v5vA1 PRO 367 HB3 -0.01 0.02 -0.22 -0.04 2.02 1.76 1v5vA1 PRO 367 HG2 -0.00 0.02 -0.00 -0.04 2.03 2.01 1v5vA1 PRO 367 HG3 -0.01 0.04 0.01 -0.04 2.03 2.02 1v5vA1 PRO 367 HD2 0.01 0.09 0.18 -0.04 3.68 3.92 1v5vA1 PRO 367 HD3 0.01 0.16 0.08 -0.04 3.65 3.86 1v5vA1 GLY 368 H 0.03 0.70 0.18 -0.55 8.43 8.79 1v5vA1 GLY 368 HA2 0.03 0.01 0.34 -0.51 4.01 3.88 1v5vA1 GLY 368 HA3 0.02 0.08 0.51 -0.51 4.01 4.11 1v5vA1 ILE 369 H 0.06 0.14 -0.08 -0.55 8.25 7.82 1v5vA1 ILE 369 HA 0.06 0.15 0.84 -0.75 4.18 4.47 1v5vA1 ILE 369 HB 0.10 0.01 0.09 -0.04 1.89 2.05 1v5vA1 ILE 369 HG12 0.06 -0.02 -0.12 -0.04 1.49 1.37 1v5vA1 ILE 369 HG13 0.06 0.09 -0.32 -0.04 1.21 0.99 1v5vA1 ILE 369 HG23 0.15 -0.00 -0.16 -0.04 0.93 0.89 1v5vA1 ILE 369 HD13 0.10 0.05 -0.01 -0.04 0.88 0.98 1v5vA1 GLU 370 H 0.05 0.15 0.21 -0.55 8.60 8.46 1v5vA1 GLU 370 HA 0.04 0.19 0.79 -0.75 4.29 4.55 1v5vA1 GLU 370 HB2 0.03 -0.06 0.22 -0.04 2.09 2.24 1v5vA1 GLU 370 HB3 0.03 0.00 0.08 -0.04 1.99 2.06 1v5vA1 GLU 370 HG2 0.03 0.04 0.04 -0.04 2.34 2.42 1v5vA1 GLU 370 HG3 0.03 0.04 0.06 -0.04 2.34 2.44 1v5vA1 ILE 371 H 0.02 0.67 0.38 -0.55 8.25 8.77 1v5vA1 ILE 371 HA -0.01 0.15 1.00 -0.75 4.18 4.57 1v5vA1 ILE 371 HB -0.09 0.02 0.07 -0.04 1.89 1.85 1v5vA1 ILE 371 HG12 -0.01 0.05 -0.32 -0.04 1.49 1.17 1v5vA1 ILE 371 HG13 -0.10 -0.07 -0.47 -0.04 1.21 0.53 1v5vA1 ILE 371 HG23 -0.02 0.01 -0.34 -0.04 0.93 0.54 1v5vA1 ILE 371 HD13 -0.30 -0.01 -0.31 -0.04 0.88 0.22 1v5vA1 GLU 372 H -0.00 0.59 0.31 -0.55 8.60 8.94 1v5vA1 GLU 372 HA -0.00 0.29 0.82 -0.75 4.29 4.65 1v5vA1 GLU 372 HB2 0.03 -0.10 -0.07 -0.04 2.09 1.91 1v5vA1 GLU 372 HB3 -0.02 -0.03 -0.20 -0.04 1.99 1.71 1v5vA1 GLU 372 HG2 -0.01 0.07 -0.25 -0.04 2.34 2.11 1v5vA1 GLU 372 HG3 -0.00 -0.05 -0.43 -0.04 2.34 1.82 1v5vA1 VAL 373 H 0.02 0.77 0.25 -0.55 8.24 8.72 1v5vA1 VAL 373 HA 0.04 0.29 0.99 -0.75 4.13 4.70 1v5vA1 VAL 373 HB 0.08 0.01 -0.04 -0.04 2.12 2.13 1v5vA1 VAL 373 HG13 0.19 0.00 -0.29 -0.04 0.97 0.84 1v5vA1 VAL 373 HG23 -0.22 -0.00 -0.32 -0.04 0.95 0.37 1v5vA1 GLU 374 H 0.12 0.61 0.16 -0.55 8.60 8.95 1v5vA1 GLU 374 HA -0.02 0.26 0.59 -0.75 4.29 4.36 1v5vA1 GLU 374 HB2 0.05 0.01 -0.11 -0.04 2.09 1.99 1v5vA1 GLU 374 HB3 0.12 0.01 0.18 -0.04 1.99 2.25 1v5vA1 GLU 374 HG2 -0.12 -0.09 -0.34 -0.04 2.34 1.74 1v5vA1 GLU 374 HG3 -0.07 -0.02 -0.31 -0.04 2.34 1.90 1v5vA1 ILE 375 H -0.06 0.84 0.30 -0.55 8.25 8.77 1v5vA1 ILE 375 HA -0.57 0.12 0.93 -0.75 4.18 3.91 1v5vA1 ILE 375 HB 0.01 0.06 0.13 -0.04 1.89 2.05 1v5vA1 ILE 375 HG12 0.37 0.00 -0.28 -0.04 1.49 1.55 1v5vA1 ILE 375 HG13 0.11 0.06 -0.48 -0.04 1.21 0.86 1v5vA1 ILE 375 HG23 0.09 -0.02 -0.10 -0.04 0.93 0.86 1v5vA1 ILE 375 HD13 0.16 0.00 -0.34 -0.04 0.88 0.66 1v5vA1 ARG 376 H -0.39 0.19 0.08 -0.55 8.46 7.80 1v5vA1 ARG 376 HA -0.12 0.03 0.32 -0.75 4.34 3.83 1v5vA1 ARG 376 HB2 -0.04 0.11 -0.16 -0.04 1.90 1.76 1v5vA1 ARG 376 HB3 -0.04 0.03 0.18 -0.04 1.80 1.93 1v5vA1 ARG 376 HG2 -0.04 0.02 0.05 -0.04 1.67 1.66 1v5vA1 ARG 376 HG3 -0.05 -0.04 -0.04 -0.04 1.67 1.50 1v5vA1 ARG 376 HD2 0.00 0.02 0.01 -0.04 3.22 3.20 1v5vA1 ARG 376 HD3 0.03 0.00 -0.01 -0.04 3.22 3.21 1v5vA1 GLY 377 H -0.11 0.06 -0.27 -0.55 8.43 7.56 1v5vA1 GLY 377 HA2 -0.06 -0.02 0.20 -0.51 4.01 3.62 1v5vA1 GLY 377 HA3 -0.05 0.12 0.42 -0.51 4.01 3.99 1v5vA1 GLN 378 H -0.07 0.37 -0.52 -0.55 8.47 7.70 1v5vA1 GLN 378 HA -0.05 0.14 0.83 -0.75 4.36 4.52 1v5vA1 GLN 378 HB2 -0.03 -0.01 -0.02 -0.04 2.15 2.06 1v5vA1 GLN 378 HB3 -0.03 0.06 -0.08 -0.04 2.02 1.93 1v5vA1 GLN 378 HG2 -0.03 0.01 0.22 -0.04 2.40 2.56 1v5vA1 GLN 378 HG3 -0.01 -0.03 -0.19 -0.04 2.39 2.12 1v5vA1 GLN 378 HE21 0.00 -0.11 -0.05 -0.04 6.97 6.77 1v5vA1 GLN 378 HE22 -0.02 0.34 -0.02 -0.04 7.69 7.94 1v5vA1 ARG 379 H -0.06 0.17 0.08 -0.55 8.46 8.10 1v5vA1 ARG 379 HA -0.05 0.08 0.41 -0.75 4.34 4.02 1v5vA1 ARG 379 HB2 -0.08 0.01 0.11 -0.04 1.90 1.89 1v5vA1 ARG 379 HB3 -0.09 -0.01 -0.13 -0.04 1.80 1.52 1v5vA1 ARG 379 HG2 -0.15 -0.03 -0.13 -0.04 1.67 1.32 1v5vA1 ARG 379 HG3 -0.17 0.03 -0.05 -0.04 1.67 1.44 1v5vA1 ARG 379 HD2 -0.37 -0.02 -0.16 -0.04 3.22 2.63 1v5vA1 ARG 379 HD3 -0.27 -0.00 -0.26 -0.04 3.22 2.65 1v5vA1 LYS 380 H 0.01 0.71 0.30 -0.55 8.42 8.89 1v5vA1 LYS 380 HA 0.01 0.11 0.93 -0.75 4.32 4.62 1v5vA1 LYS 380 HB2 0.05 0.01 0.11 -0.04 1.87 2.00 1v5vA1 LYS 380 HB3 0.04 0.05 -0.04 -0.04 1.79 1.80 1v5vA1 LYS 380 HG2 0.01 -0.00 -0.18 -0.04 1.46 1.24 1v5vA1 LYS 380 HG3 0.04 0.07 0.04 -0.04 1.46 1.57 1v5vA1 LYS 380 HD2 0.02 -0.01 0.06 -0.04 1.69 1.72 1v5vA1 LYS 380 HD3 0.00 0.03 -0.10 -0.04 1.68 1.58 1v5vA1 LYS 380 HE2 -0.00 -0.04 -0.11 -0.04 2.99 2.79 1v5vA1 LYS 380 HE3 0.01 0.03 -0.04 -0.04 2.99 2.95 1v5vA1 LYS 381 H 0.02 0.11 0.20 -0.55 8.42 8.19 1v5vA1 LYS 381 HA 0.02 0.22 0.66 -0.75 4.32 4.46 1v5vA1 LYS 381 HB2 0.03 -0.10 0.16 -0.04 1.87 1.92 1v5vA1 LYS 381 HB3 0.03 0.10 0.10 -0.04 1.79 1.98 1v5vA1 LYS 381 HG2 0.01 0.04 0.01 -0.04 1.46 1.48 1v5vA1 LYS 381 HG3 0.00 -0.03 0.07 -0.04 1.46 1.47 1v5vA1 LYS 381 HD2 0.00 0.00 0.01 -0.04 1.69 1.66 1v5vA1 LYS 381 HD3 0.01 -0.02 0.03 -0.04 1.68 1.67 1v5vA1 LYS 381 HE2 0.02 0.05 0.02 -0.04 2.99 3.04 1v5vA1 LYS 381 HE3 0.01 -0.00 -0.00 -0.04 2.99 2.96 1v5vA1 ALA 382 H 0.03 0.72 0.44 -0.55 8.40 9.05 1v5vA1 ALA 382 HA 0.11 0.07 0.74 -0.75 4.34 4.50 1v5vA1 ALA 382 HB3 0.14 0.01 -0.25 -0.04 1.41 1.26 1v5vA1 VAL 383 H 0.18 0.65 0.30 -0.55 8.24 8.82 1v5vA1 VAL 383 HA 0.08 0.27 0.94 -0.75 4.13 4.66 1v5vA1 VAL 383 HB 0.07 -0.04 -0.16 -0.04 2.12 1.95 1v5vA1 VAL 383 HG13 0.09 0.02 -0.07 -0.04 0.97 0.96 1v5vA1 VAL 383 HG23 0.06 0.05 -0.18 -0.04 0.95 0.84 1v5vA1 THR 384 H 0.10 0.46 0.28 -0.55 8.28 8.57 1v5vA1 THR 384 HA 0.22 0.15 0.77 -0.75 4.39 4.79 1v5vA1 THR 384 HB 0.12 0.13 0.13 -0.04 4.32 4.65 1v5vA1 THR 384 HG23 0.12 0.04 0.02 -0.04 1.22 1.36 1v5vA1 VAL 385 H 0.08 0.69 0.25 -0.55 8.24 8.71 1v5vA1 VAL 385 HA -0.03 0.06 0.86 -0.75 4.13 4.27 1v5vA1 VAL 385 HB -0.18 0.06 0.01 -0.04 2.12 1.97 1v5vA1 VAL 385 HG13 0.04 0.02 -0.27 -0.04 0.97 0.72 1v5vA1 VAL 385 HG23 -0.44 -0.02 -0.45 -0.04 0.95 0.00 1v5vA1 THR 386 H -0.15 0.18 0.12 -0.55 8.28 7.89 1v5vA1 THR 386 HA -0.17 0.15 0.82 -0.75 4.39 4.44 1v5vA1 THR 386 HB -0.13 -0.02 0.14 -0.04 4.32 4.27 1v5vA1 THR 386 HG23 -0.13 0.07 -0.03 -0.04 1.22 1.09 1v5vA1 PRO 387 HA -0.61 0.06 0.22 -0.51 4.44 3.59 1v5vA1 PRO 387 HB2 -0.45 0.21 0.00 -0.04 2.28 2.01 1v5vA1 PRO 387 HB3 -0.82 -0.04 -0.00 -0.04 2.02 1.12 1v5vA1 PRO 387 HG2 -0.36 0.03 0.03 -0.04 2.03 1.68 1v5vA1 PRO 387 HG3 -0.95 0.03 0.07 -0.04 2.03 1.13 1v5vA1 PRO 387 HD2 -0.29 0.05 0.25 -0.04 3.68 3.64 1v5vA1 PRO 387 HD3 -0.65 0.12 0.16 -0.04 3.65 3.24 1v5vA1 PRO 388 HA -0.42 0.14 0.30 -0.51 4.44 3.96 1v5vA1 PRO 388 HB2 -1.61 -0.18 0.07 -0.04 2.28 0.53 1v5vA1 PRO 388 HB3 -0.61 0.04 0.20 -0.04 2.02 1.60 1v5vA1 PRO 388 HG2 -0.43 0.22 0.05 -0.04 2.03 1.82 1v5vA1 PRO 388 HG3 -0.32 -0.05 0.06 -0.04 2.03 1.68 1v5vA1 PRO 388 HD2 -0.20 0.11 0.39 -0.04 3.68 3.93 1v5vA1 PRO 388 HD3 -0.22 0.03 0.21 -0.04 3.65 3.63 1v5vA1 PHE 389 H -0.07 0.68 0.27 -0.55 8.34 8.66 1v5vA1 PHE 389 HA -0.14 0.15 0.53 -0.75 4.62 4.41 1v5vA1 PHE 389 HB2 -0.10 -0.05 0.15 -0.04 3.15 3.11 1v5vA1 PHE 389 HB3 -0.06 -0.07 0.07 -0.04 3.06 2.96 1v5vA1 PHE 389 HD2 -0.10 0.11 0.04 -0.04 7.28 7.28 1v5vA1 PHE 389 HE2 -0.01 0.05 -0.21 -0.04 7.38 7.16 1v5vA1 PHE 389 HZ -0.08 0.03 0.11 -0.04 7.32 7.33 1v5vA1 TYR 390 H -0.62 0.05 -0.22 -0.55 8.29 6.95 1v5vA1 TYR 390 HA 0.07 0.16 0.74 -0.75 4.56 4.77 1v5vA1 TYR 390 HB2 0.13 -0.00 -0.01 -0.04 3.06 3.14 1v5vA1 TYR 390 HB3 -0.04 -0.06 -0.05 -0.04 2.98 2.79 1v5vA1 TYR 390 HD2 0.04 -0.01 -0.48 -0.04 7.15 6.66 1v5vA1 TYR 390 HE2 -0.03 0.05 -0.22 -0.04 6.85 6.61 1v5vA1 ASP 391 H 0.32 0.10 0.09 -0.55 8.40 8.37 1v5vA1 ASP 391 HA 0.10 0.24 0.57 -0.75 4.63 4.78 1v5vA1 ASP 391 HB2 0.12 0.08 0.13 -0.04 2.71 3.00 1v5vA1 ASP 391 HB3 0.16 -0.08 0.21 -0.04 2.70 2.95 1v5vA1 PRO 392 HA 0.28 0.27 0.41 -0.51 4.44 4.89 1v5vA1 PRO 392 HB2 0.11 0.02 0.02 -0.04 2.28 2.39 1v5vA1 PRO 392 HB3 0.10 0.05 0.10 -0.04 2.02 2.23 1v5vA1 PRO 392 HG2 0.04 -0.02 0.01 -0.04 2.03 2.01 1v5vA1 PRO 392 HG3 0.00 0.08 0.07 -0.04 2.03 2.14 1v5vA1 PRO 392 HD2 0.04 0.01 0.26 -0.04 3.68 3.95 1v5vA1 PRO 392 HD3 0.01 0.40 0.25 -0.04 3.65 4.27 1v5vA1 LYS 393 H 0.07 -0.01 -0.50 -0.55 8.42 7.43 1v5vA1 LYS 393 HA 0.03 0.22 0.70 -0.75 4.32 4.52 1v5vA1 LYS 393 HB2 0.02 -0.04 0.03 -0.04 1.87 1.84 1v5vA1 LYS 393 HB3 0.00 -0.01 0.08 -0.04 1.79 1.82 1v5vA1 LYS 393 HG2 0.01 0.06 0.02 -0.04 1.46 1.51 1v5vA1 LYS 393 HG3 0.02 -0.02 -0.05 -0.04 1.46 1.37 1v5vA1 LYS 393 HD2 0.00 -0.01 0.01 -0.04 1.69 1.65 1v5vA1 LYS 393 HD3 0.00 0.01 -0.00 -0.04 1.68 1.65 1v5vA1 LYS 393 HE2 0.01 -0.01 -0.01 -0.04 2.99 2.94 1v5vA1 LYS 393 HE3 0.00 -0.00 -0.00 -0.04 2.99 2.95 1v5vA1 LYS 394 H 0.04 0.29 -0.11 -0.55 8.42 8.09 1v5vA1 LYS 394 HA -0.18 0.21 0.96 -0.75 4.32 4.56 1v5vA1 LYS 394 HB2 -0.08 -0.07 -0.00 -0.04 1.87 1.68 1v5vA1 LYS 394 HB3 -0.05 -0.02 0.13 -0.04 1.79 1.81 1v5vA1 LYS 394 HG2 -1.18 -0.00 -0.11 -0.04 1.46 0.12 1v5vA1 LYS 394 HG3 -0.41 0.05 0.10 -0.04 1.46 1.15 1v5vA1 LYS 394 HD2 -0.08 -0.01 0.01 -0.04 1.69 1.57 1v5vA1 LYS 394 HD3 0.02 -0.04 0.01 -0.04 1.68 1.63 1v5vA1 LYS 394 HE2 0.01 -0.02 0.00 -0.04 2.99 2.95 1v5vA1 LYS 394 HE3 0.08 -0.01 -0.01 -0.04 2.99 3.00 1v5vA1 TYR 395 H 0.09 0.50 0.20 -0.55 8.29 8.53 1v5vA1 TYR 395 HA -0.14 0.29 0.89 -0.75 4.56 4.85 1v5vA1 TYR 395 HB2 -0.44 -0.06 -0.07 -0.04 3.06 2.45 1v5vA1 TYR 395 HB3 -0.55 -0.08 0.08 -0.04 2.98 2.39 1v5vA1 TYR 395 HD2 -0.05 0.02 0.02 -0.04 7.15 7.09 1v5vA1 TYR 395 HE2 -0.00 -0.00 -0.07 -0.04 6.85 6.74 1v5vA1 GLY 396 H -0.16 0.09 0.06 -0.55 8.43 7.87 1v5vA1 GLY 396 HA2 -0.13 0.04 0.16 -0.51 4.01 3.58 1v5vA1 GLY 396 HA3 0.03 0.15 0.61 -0.51 4.01 4.29 1v5vA1 LEU 397 H -0.18 0.54 0.29 -0.55 8.37 8.48 1v5vA1 LEU 397 HA -0.15 0.00 0.38 -0.75 4.35 3.84 1v5vA1 LEU 397 HB2 -0.31 -0.03 0.04 -0.04 1.64 1.30 1v5vA1 LEU 397 HB3 -0.28 -0.06 -0.24 -0.04 1.64 1.02 1v5vA1 LEU 397 HG -1.99 0.08 -0.29 -0.04 1.64 -0.60 1v5vA1 LEU 397 HD13 -0.84 -0.01 -0.10 -0.04 0.93 -0.06 1v5vA1 LEU 397 HD23 -0.52 -0.02 0.01 -0.04 0.89 0.32 1v5vA1 PHE 398 H -0.07 0.08 -0.33 -0.55 8.34 7.47 1v5vA1 PHE 398 HA -0.01 0.20 0.85 -0.75 4.62 4.90 1v5vA1 PHE 398 HB2 -0.02 0.02 0.05 -0.04 3.15 3.16 1v5vA1 PHE 398 HB3 -0.02 -0.01 0.15 -0.04 3.06 3.13 1v5vA1 PHE 398 HD2 -0.05 0.06 -0.02 -0.04 7.28 7.23 1v5vA1 PHE 398 HE2 -0.10 -0.00 -0.03 -0.04 7.38 7.20 1v5vA1 PHE 398 HZ -0.14 -0.03 -0.03 -0.04 7.32 7.09 1v5vA1 ARG 399 H 0.01 0.21 -0.51 -0.55 8.46 7.63 1v5vA1 ARG 399 HA 0.03 0.09 0.23 -0.75 4.34 3.94 1v5vA1 ARG 399 HB2 -0.07 0.09 -0.31 -0.04 1.90 1.58 1v5vA1 ARG 399 HB3 -0.04 -0.03 -0.54 -0.04 1.80 1.15 1v5vA1 ARG 399 HG2 -0.03 -0.03 -0.13 -0.04 1.67 1.44 1v5vA1 ARG 399 HG3 -0.03 0.00 -0.34 -0.04 1.67 1.27 1v5vA1 ARG 399 HD2 -0.05 -0.11 -0.05 -0.04 3.22 2.97 1v5vA1 ARG 399 HD3 -0.10 0.10 -0.06 -0.04 3.22 3.12 1v5vA1 GLU 400 H -0.00 0.39 0.29 -0.55 8.60 8.73 1v5vA1 GLU 400 HA 0.02 0.05 0.51 -0.75 4.29 4.12 1v5vA1 GLU 400 HB2 -0.00 -0.10 0.07 -0.04 2.09 2.01 1v5vA1 GLU 400 HB3 0.00 -0.02 0.16 -0.04 1.99 2.10 1v5vA1 GLU 400 HG2 -0.02 0.46 0.32 -0.04 2.34 3.07 1v5vA1 GLU 400 HG3 -0.02 -0.05 0.03 -0.04 2.34 2.26 1v5vA1 THR 401 H 0.01 0.12 0.08 -0.55 8.28 7.93 1v5vA1 THR 401 HA -0.01 0.30 0.76 -0.75 4.39 4.69 1v5vA1 THR 401 HB 0.00 -0.03 0.06 -0.04 4.32 4.31 1v5vA1 THR 401 HG23 0.01 0.05 -0.14 -0.04 1.22 1.10