============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. TYR 18 0.840 88.104 -92.340 -23.156 -99.200 -91.000 PHE 28 1.000 83.162 -93.558 -36.764 -99.200 -91.000 TRP 32 1.040 93.911 -85.984 -27.419 -99.200 -91.000 TRP6 32 1.020 91.860 -84.831 -27.592 -99.200 -91.000 HIS 37 0.900 90.870 -87.238 -31.949 -99.200 -91.000 TYR 45 0.840 85.446 -87.311 -22.749 -99.200 -91.000 TRP 52 1.040 80.025-100.825 -16.384 -99.200 -91.000 TRP6 52 1.020 78.145 -99.561 -15.743 -99.200 -91.000 TYR 59 0.840 73.864 -92.203 -14.486 -99.200 -91.000 PHE 62 1.000 80.348 -96.915 -25.122 -99.200 -91.000 HIS 79 0.900 86.014 -85.902 -17.404 -99.200 -91.000 TYR 85 0.840 77.016 -86.476 -5.801 -99.200 -91.000 HIS 89 0.900 68.706 -76.712 -1.116 -99.200 -91.000 HIS 113 0.900 80.514 -77.985 3.267 -99.200 -91.000 HIS 127 0.900 64.419 -56.991 8.479 -99.200 -91.000 TRP 131 1.040 56.780 -61.440 14.076 -99.200 -91.000 TRP6 131 1.020 58.356 -63.085 13.466 -99.200 -91.000 TYR 151 0.840 61.061 -82.133 -0.842 -99.200 -91.000 TYR 160 0.840 64.000 -90.350 -13.247 -99.200 -91.000 TYR 195 0.840 63.877 -73.694 -7.268 -99.200 -91.000 TYR 196 0.840 57.912 -82.718 -6.777 -99.200 -91.000 PHE 212 1.000 48.005 -92.614 8.987 -99.200 -91.000 TYR 221 0.840 55.427 -66.275 25.867 -99.200 -91.000 PHE 224 1.000 55.519 -66.297 18.152 -99.200 -91.000 TYR 241 0.840 68.981 -87.930 -2.672 -99.200 -91.000 TYR 247 0.840 70.762 -95.476 -23.853 -99.200 -91.000 PHE 249 1.000 74.311 -99.361 -24.086 -99.200 -91.000 TRP 262 1.040 70.034 -92.096 -7.172 -99.200 -91.000 TRP6 262 1.020 72.007 -91.442 -8.280 -99.200 -91.000 PHE 278 1.000 83.747 -71.673 -8.125 -99.200 -91.000 PHE 316 1.000 83.153 -76.622 -8.851 -99.200 -91.000 PHE 318 1.000 87.816 -72.028 -11.440 -99.200 -91.000 TYR 327 0.840 82.993 -69.710 -12.847 -99.200 -91.000 PHE 335 1.000 86.929 -67.381 -7.760 -99.200 -91.000 PHE 337 1.000 92.114 -72.589 -4.051 -99.200 -91.000 PHE 339 1.000 92.811 -76.627 0.763 -99.200 -91.000 TYR 360 0.840 95.541 -68.399 -4.620 -99.200 -91.000 PHE 381 1.000 80.093 -61.119 -3.218 -99.200 -91.000 HIS 382 0.900 82.687 -58.495 4.495 -99.200 -91.000 TYR 383 0.840 81.739 -66.006 1.392 -99.200 -91.000 HIS 401 0.900 74.007 -50.803 -4.748 -99.200 -91.000 TYR 427 0.840 69.168 -50.696 -1.675 -99.200 -91.000 TYR 445 0.840 62.831 -53.405 13.809 -99.200 -91.000 PHE 460 1.000 61.110 -47.736 -8.204 -99.200 -91.000 PHE 463 1.000 64.380 -42.327 -3.267 -99.200 -91.000 TYR 466 0.840 58.262 -49.360 4.535 -99.200 -91.000 TYR 473 0.840 59.060 -29.905 0.163 -99.200 -91.000 TYR 479 0.840 68.073 -28.678 2.239 -99.200 -91.000 TYR 484 0.840 73.569 -43.462 3.898 -99.200 -91.000 PHE 512 1.000 71.561 -41.085 -6.286 -99.200 -91.000 TYR 517 0.840 72.901 -28.507 -8.472 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3hvdE1 VAL 175 HA 0.00 -0.06 0.25 -0.75 4.13 3.57 3hvdE1 VAL 175 HB -0.00 -0.02 0.09 -0.04 2.12 2.15 3hvdE1 VAL 175 HG13 -0.00 -0.00 -0.12 -0.04 0.97 0.80 3hvdE1 VAL 175 HG23 0.01 -0.01 0.05 -0.04 0.95 0.95 3hvdE1 PRO 176 HA -0.00 0.12 0.53 -0.51 4.44 4.58 3hvdE1 PRO 176 HB2 0.00 -0.13 0.05 -0.04 2.28 2.16 3hvdE1 PRO 176 HB3 0.00 0.05 0.12 -0.04 2.02 2.16 3hvdE1 PRO 176 HG2 0.01 0.00 0.10 -0.04 2.03 2.10 3hvdE1 PRO 176 HG3 0.00 0.10 0.07 -0.04 2.03 2.17 3hvdE1 PRO 176 HD2 0.00 -0.03 0.22 -0.04 3.68 3.84 3hvdE1 PRO 176 HD3 0.00 0.24 0.19 -0.04 3.65 4.04 3hvdE1 ASP 177 H -0.00 0.17 -0.00 -0.55 8.40 8.02 3hvdE1 ASP 177 HA -0.01 0.06 0.47 -0.75 4.63 4.40 3hvdE1 ASP 177 HB2 -0.02 0.23 -0.27 -0.04 2.71 2.60 3hvdE1 ASP 177 HB3 -0.01 0.05 0.00 -0.04 2.70 2.70 3hvdE1 ARG 178 H 0.01 0.20 0.16 -0.55 8.46 8.27 3hvdE1 ARG 178 HA 0.01 0.07 0.27 -0.75 4.34 3.94 3hvdE1 ARG 178 HB2 0.02 0.17 0.16 -0.04 1.90 2.22 3hvdE1 ARG 178 HB3 0.02 0.03 0.08 -0.04 1.80 1.88 3hvdE1 ARG 178 HG2 0.01 -0.05 0.08 -0.04 1.67 1.67 3hvdE1 ARG 178 HG3 0.01 -0.05 0.12 -0.04 1.67 1.71 3hvdE1 ARG 178 HD2 0.02 0.04 -0.05 -0.04 3.22 3.19 3hvdE1 ARG 178 HD3 0.01 0.02 0.01 -0.04 3.22 3.21 3hvdE1 ASP 179 H 0.04 0.38 -0.03 -0.55 8.40 8.25 3hvdE1 ASP 179 HA 0.09 0.12 0.30 -0.75 4.63 4.39 3hvdE1 ASP 179 HB2 0.17 -0.08 -0.47 -0.04 2.71 2.29 3hvdE1 ASP 179 HB3 0.08 -0.18 -0.59 -0.04 2.70 1.97 3hvdE1 ASN 180 H 0.05 0.10 -0.74 -0.55 8.53 7.39 3hvdE1 ASN 180 HA 0.03 0.07 0.25 -0.75 4.76 4.35 3hvdE1 ASN 180 HB2 0.04 0.11 -0.25 -0.04 2.88 2.73 3hvdE1 ASN 180 HB3 0.10 0.13 0.05 -0.04 2.79 3.03 3hvdE1 ASN 180 HD21 -0.02 -0.04 0.03 -0.04 7.03 6.95 3hvdE1 ASN 180 HD22 -0.02 0.02 0.01 -0.04 7.74 7.71 3hvdE1 ASP 181 H 0.02 0.11 -0.18 -0.55 8.40 7.80 3hvdE1 ASP 181 HA 0.04 0.29 0.97 -0.75 4.63 5.19 3hvdE1 ASP 181 HB2 -0.37 -0.15 0.23 -0.04 2.71 2.38 3hvdE1 ASP 181 HB3 -0.13 0.10 -0.14 -0.04 2.70 2.49 3hvdE1 GLY 182 H -0.11 0.15 -0.24 -0.55 8.43 7.68 3hvdE1 GLY 182 HA2 -0.27 0.04 0.28 -0.51 4.01 3.54 3hvdE1 GLY 182 HA3 -0.65 0.10 0.31 -0.51 4.01 3.26 3hvdE1 ILE 183 H -0.04 0.34 -0.51 -0.55 8.25 7.48 3hvdE1 ILE 183 HA -0.04 0.15 0.59 -0.75 4.18 4.13 3hvdE1 ILE 183 HB -0.16 -0.06 -0.09 -0.04 1.89 1.54 3hvdE1 ILE 183 HG12 0.09 0.02 -0.09 -0.04 1.49 1.47 3hvdE1 ILE 183 HG13 0.13 0.07 0.01 -0.04 1.21 1.38 3hvdE1 ILE 183 HG23 -0.52 0.04 -0.16 -0.04 0.93 0.25 3hvdE1 ILE 183 HD13 -0.39 0.01 -0.19 -0.04 0.88 0.27 3hvdE1 PRO 184 HA -0.03 0.27 0.55 -0.51 4.44 4.72 3hvdE1 PRO 184 HB2 -0.01 -0.22 -0.03 -0.04 2.28 1.98 3hvdE1 PRO 184 HB3 -0.01 0.13 0.11 -0.04 2.02 2.22 3hvdE1 PRO 184 HG2 0.00 0.03 0.07 -0.04 2.03 2.09 3hvdE1 PRO 184 HG3 -0.01 0.14 0.05 -0.04 2.03 2.17 3hvdE1 PRO 184 HD2 -0.06 0.03 0.14 -0.04 3.68 3.76 3hvdE1 PRO 184 HD3 -0.03 0.30 0.30 -0.04 3.65 4.18 3hvdE1 ASP 185 H -0.01 0.38 0.06 -0.55 8.40 8.28 3hvdE1 ASP 185 HA -0.00 0.07 0.31 -0.75 4.63 4.26 3hvdE1 ASP 185 HB2 0.01 -0.03 0.15 -0.04 2.71 2.80 3hvdE1 ASP 185 HB3 0.01 0.08 -0.02 -0.04 2.70 2.73 3hvdE1 SER 186 H 0.01 0.12 -0.03 -0.55 8.46 8.02 3hvdE1 SER 186 HA 0.04 0.08 0.27 -0.75 4.49 4.13 3hvdE1 SER 186 HB2 0.04 0.07 0.01 -0.04 3.95 4.03 3hvdE1 SER 186 HB3 0.03 0.01 0.10 -0.04 3.93 4.03 3hvdE1 LEU 187 H 0.02 0.06 -0.38 -0.55 8.37 7.53 3hvdE1 LEU 187 HA 0.12 0.10 0.28 -0.75 4.35 4.09 3hvdE1 LEU 187 HB2 -0.08 0.08 -0.03 -0.04 1.64 1.57 3hvdE1 LEU 187 HB3 -0.05 0.03 -0.18 -0.04 1.64 1.41 3hvdE1 LEU 187 HG 0.03 -0.08 -0.01 -0.04 1.64 1.54 3hvdE1 LEU 187 HD13 0.04 0.02 -0.11 -0.04 0.93 0.84 3hvdE1 LEU 187 HD23 0.11 -0.00 -0.01 -0.04 0.89 0.95 3hvdE1 GLU 188 H -0.03 0.39 -0.30 -0.55 8.60 8.12 3hvdE1 GLU 188 HA 0.30 0.01 0.25 -0.75 4.29 4.10 3hvdE1 GLU 188 HB2 0.01 0.10 -0.03 -0.04 2.09 2.14 3hvdE1 GLU 188 HB3 0.07 -0.03 -0.33 -0.04 1.99 1.67 3hvdE1 GLU 188 HG2 -0.27 -0.04 -0.21 -0.04 2.34 1.78 3hvdE1 GLU 188 HG3 -0.18 0.14 -0.21 -0.04 2.34 2.06 3hvdE1 VAL 189 H 0.06 0.36 -0.13 -0.55 8.24 7.98 3hvdE1 VAL 189 HA 0.06 0.14 0.43 -0.75 4.13 4.01 3hvdE1 VAL 189 HB 0.05 -0.02 0.09 -0.04 2.12 2.19 3hvdE1 VAL 189 HG13 0.03 -0.01 -0.04 -0.04 0.97 0.91 3hvdE1 VAL 189 HG23 0.03 0.08 0.01 -0.04 0.95 1.03 3hvdE1 GLU 190 H 0.09 0.58 -0.03 -0.55 8.60 8.70 3hvdE1 GLU 190 HA 0.06 0.09 0.59 -0.75 4.29 4.27 3hvdE1 GLU 190 HB2 0.10 0.05 0.06 -0.04 2.09 2.25 3hvdE1 GLU 190 HB3 0.08 -0.07 0.07 -0.04 1.99 2.04 3hvdE1 GLU 190 HG2 0.06 0.05 0.07 -0.04 2.34 2.48 3hvdE1 GLU 190 HG3 0.06 -0.10 0.00 -0.04 2.34 2.26 3hvdE1 GLY 191 H 0.18 0.47 -0.02 -0.55 8.43 8.51 3hvdE1 GLY 191 HA2 0.01 0.32 0.47 -0.51 4.01 4.30 3hvdE1 GLY 191 HA3 0.04 0.06 0.88 -0.51 4.01 4.49 3hvdE1 TYR 192 H -0.19 0.59 0.36 -0.55 8.29 8.50 3hvdE1 TYR 192 HA 0.20 -0.01 0.89 -0.75 4.56 4.89 3hvdE1 TYR 192 HB2 0.11 0.06 0.00 -0.04 3.06 3.20 3hvdE1 TYR 192 HB3 0.10 -0.05 -0.19 -0.04 2.98 2.80 3hvdE1 TYR 192 HD2 0.09 0.15 -0.33 -0.04 7.15 7.02 3hvdE1 TYR 192 HE2 -0.05 -0.01 -0.22 -0.04 6.85 6.52 3hvdE1 THR 193 H 0.26 0.80 0.33 -0.55 8.28 9.12 3hvdE1 THR 193 HA 0.13 0.10 0.56 -0.75 4.39 4.42 3hvdE1 THR 193 HB 0.23 0.15 -0.03 -0.04 4.32 4.63 3hvdE1 THR 193 HG23 -0.33 -0.05 -0.24 -0.04 1.22 0.56 3hvdE1 VAL 194 H 0.25 0.23 0.18 -0.55 8.24 8.35 3hvdE1 VAL 194 HA 0.11 0.16 0.99 -0.75 4.13 4.64 3hvdE1 VAL 194 HB 0.09 0.14 0.13 -0.04 2.12 2.43 3hvdE1 VAL 194 HG13 -0.00 -0.02 -0.18 -0.04 0.97 0.73 3hvdE1 VAL 194 HG23 0.02 -0.03 -0.24 -0.04 0.95 0.66 3hvdE1 ASP 195 H 0.12 0.55 0.35 -0.55 8.40 8.87 3hvdE1 ASP 195 HA 0.06 0.20 0.85 -0.75 4.63 4.98 3hvdE1 ASP 195 HB2 0.04 0.03 -0.17 -0.04 2.71 2.57 3hvdE1 ASP 195 HB3 0.13 -0.03 0.03 -0.04 2.70 2.79 3hvdE1 VAL 196 H 0.07 0.23 0.12 -0.55 8.24 8.10 3hvdE1 VAL 196 HA 0.09 0.29 1.03 -0.75 4.13 4.78 3hvdE1 VAL 196 HB 0.04 -0.01 -0.20 -0.04 2.12 1.91 3hvdE1 VAL 196 HG13 0.01 -0.01 -0.21 -0.04 0.97 0.72 3hvdE1 VAL 196 HG23 0.04 0.01 0.08 -0.04 0.95 1.04 3hvdE1 LYS 197 H 0.28 0.46 0.18 -0.55 8.42 8.78 3hvdE1 LYS 197 HA 0.12 0.16 0.56 -0.75 4.32 4.40 3hvdE1 ASN 198 H 0.15 0.08 0.12 -0.55 8.53 8.34 3hvdE1 ASN 198 HA 0.05 0.09 0.35 -0.75 4.76 4.50 3hvdE1 ASN 198 HB2 0.08 -0.01 0.16 -0.04 2.88 3.07 3hvdE1 ASN 198 HB3 0.07 -0.10 0.11 -0.04 2.79 2.83 3hvdE1 ASN 198 HD21 0.03 0.01 -0.00 -0.04 7.03 7.02 3hvdE1 ASN 198 HD22 0.04 -0.02 0.01 -0.04 7.74 7.73 3hvdE1 LYS 199 H 0.06 -0.04 -0.07 -0.55 8.42 7.81 3hvdE1 LYS 199 HA 0.03 0.23 0.14 -0.75 4.32 3.96 3hvdE1 LYS 199 HB2 0.02 -0.10 -0.08 -0.04 1.87 1.67 3hvdE1 LYS 199 HB3 0.01 -0.01 0.20 -0.04 1.79 1.94 3hvdE1 LYS 199 HG2 0.02 0.25 0.10 -0.04 1.46 1.79 3hvdE1 LYS 199 HG3 0.02 -0.08 0.03 -0.04 1.46 1.39 3hvdE1 LYS 199 HD2 0.01 -0.06 0.07 -0.04 1.69 1.67 3hvdE1 LYS 199 HD3 0.02 0.11 0.10 -0.04 1.68 1.88 3hvdE1 LYS 199 HE2 0.02 0.02 0.06 -0.04 2.99 3.05 3hvdE1 LYS 199 HE3 0.01 -0.07 0.03 -0.04 2.99 2.93 3hvdE1 ARG 200 H 0.05 0.03 -0.06 -0.55 8.46 7.92 3hvdE1 ARG 200 HA -0.09 0.26 0.93 -0.75 4.34 4.69 3hvdE1 ARG 200 HB2 -0.44 0.14 -0.02 -0.04 1.90 1.54 3hvdE1 ARG 200 HB3 -0.11 0.08 -0.01 -0.04 1.80 1.71 3hvdE1 ARG 200 HG2 0.07 -0.35 0.03 -0.04 1.67 1.39 3hvdE1 ARG 200 HG3 0.12 0.01 0.01 -0.04 1.67 1.76 3hvdE1 ARG 200 HD2 -0.03 0.09 -0.02 -0.04 3.22 3.22 3hvdE1 ARG 200 HD3 0.07 -0.01 -0.03 -0.04 3.22 3.21 3hvdE1 THR 201 H -0.16 0.16 0.15 -0.55 8.28 7.88 3hvdE1 THR 201 HA -0.04 0.22 0.73 -0.75 4.39 4.54 3hvdE1 THR 201 HB -0.05 0.05 -0.03 -0.04 4.32 4.26 3hvdE1 THR 201 HG23 -0.05 0.03 -0.03 -0.04 1.22 1.14 3hvdE1 PHE 202 H 0.13 0.93 0.42 -0.55 8.34 9.27 3hvdE1 PHE 202 HA 0.06 0.12 0.94 -0.75 4.62 4.98 3hvdE1 PHE 202 HB2 0.05 0.05 0.14 -0.04 3.15 3.35 3hvdE1 PHE 202 HB3 0.06 0.01 -0.06 -0.04 3.06 3.02 3hvdE1 PHE 202 HD2 0.04 0.01 -0.01 -0.04 7.28 7.28 3hvdE1 PHE 202 HE2 0.03 -0.09 -0.00 -0.04 7.38 7.28 3hvdE1 PHE 202 HZ 0.02 -0.03 -0.02 -0.04 7.32 7.25 3hvdE1 LEU 203 H 0.18 0.17 0.07 -0.55 8.37 8.24 3hvdE1 LEU 203 HA 0.15 0.14 0.73 -0.75 4.35 4.62 3hvdE1 LEU 203 HB2 0.14 -0.00 0.04 -0.04 1.64 1.78 3hvdE1 LEU 203 HB3 0.15 -0.02 0.18 -0.04 1.64 1.91 3hvdE1 LEU 203 HG 0.09 -0.01 -0.23 -0.04 1.64 1.46 3hvdE1 LEU 203 HD13 0.17 0.04 -0.18 -0.04 0.93 0.92 3hvdE1 LEU 203 HD23 0.09 -0.01 -0.09 -0.04 0.89 0.85 3hvdE1 SER 204 H 0.15 0.76 0.41 -0.55 8.46 9.23 3hvdE1 SER 204 HA 0.14 0.15 0.72 -0.75 4.49 4.75 3hvdE1 SER 204 HB2 0.16 -0.06 -0.09 -0.04 3.95 3.91 3hvdE1 SER 204 HB3 0.05 0.05 0.04 -0.04 3.93 4.03 3hvdE1 PRO 205 HA 0.23 0.18 0.73 -0.51 4.44 5.07 3hvdE1 PRO 205 HB2 0.12 -0.01 -0.00 -0.04 2.28 2.34 3hvdE1 PRO 205 HB3 0.13 0.04 0.08 -0.04 2.02 2.23 3hvdE1 PRO 205 HG2 0.08 -0.00 0.08 -0.04 2.03 2.14 3hvdE1 PRO 205 HG3 0.10 0.02 0.07 -0.04 2.03 2.18 3hvdE1 PRO 205 HD2 0.11 0.05 0.21 -0.04 3.68 4.02 3hvdE1 PRO 205 HD3 0.12 0.25 0.28 -0.04 3.65 4.25 3hvdE1 TRP 206 H 0.38 0.63 0.07 -0.55 7.97 8.50 3hvdE1 TRP 206 HA 0.17 -0.03 0.07 -0.75 4.62 4.08 3hvdE1 TRP 206 HB2 -0.01 0.03 -0.29 -0.04 3.23 2.91 3hvdE1 TRP 206 HB3 0.04 0.07 -0.05 -0.04 3.23 3.24 3hvdE1 TRP 206 HD1 0.03 -0.04 -0.26 -0.04 7.22 6.91 3hvdE1 TRP 206 HE1 0.01 0.00 -0.16 -0.04 10.20 10.01 3hvdE1 TRP 206 HE3 -0.23 0.03 -0.37 -0.04 7.59 6.97 3hvdE1 TRP 206 HZ2 -0.01 0.00 -0.19 -0.04 7.44 7.20 3hvdE1 TRP 206 HZ3 -0.24 0.04 -0.55 -0.04 7.13 6.34 3hvdE1 TRP 206 HH2 -0.07 0.37 -0.43 -0.04 7.19 7.01 3hvdE1 ILE 207 H -0.01 0.14 0.05 -0.55 8.25 7.87 3hvdE1 ILE 207 HA -0.10 0.22 0.95 -0.75 4.18 4.50 3hvdE1 ILE 207 HB -0.62 -0.09 0.15 -0.04 1.89 1.29 3hvdE1 ILE 207 HG12 -0.07 0.33 -0.11 -0.04 1.49 1.60 3hvdE1 ILE 207 HG13 -0.22 -0.04 -0.02 -0.04 1.21 0.89 3hvdE1 ILE 207 HG23 -0.19 -0.06 -0.05 -0.04 0.93 0.58 3hvdE1 ILE 207 HD13 -0.03 0.03 -0.09 -0.04 0.88 0.75 3hvdE1 SER 208 H -0.02 0.28 0.04 -0.55 8.46 8.22 3hvdE1 SER 208 HA 0.16 0.10 0.20 -0.75 4.49 4.19 3hvdE1 SER 208 HB2 0.01 -0.07 0.10 -0.04 3.95 3.95 3hvdE1 SER 208 HB3 0.08 0.05 0.02 -0.04 3.93 4.04 3hvdE1 ASN 209 H -0.12 0.01 -0.25 -0.55 8.53 7.62 3hvdE1 ASN 209 HA -0.05 0.18 0.55 -0.75 4.76 4.68 3hvdE1 ASN 209 HB2 -0.06 0.04 0.01 -0.04 2.88 2.83 3hvdE1 ASN 209 HB3 -0.05 0.01 0.04 -0.04 2.79 2.75 3hvdE1 ASN 209 HD21 -0.08 0.01 -0.01 -0.04 7.03 6.91 3hvdE1 ASN 209 HD22 -0.06 0.03 -0.02 -0.04 7.74 7.65 3hvdE1 ILE 210 H -0.27 0.10 0.04 -0.55 8.25 7.56 3hvdE1 ILE 210 HA -0.16 0.17 0.45 -0.75 4.18 3.88 3hvdE1 ILE 210 HB -0.22 0.05 0.08 -0.04 1.89 1.76 3hvdE1 ILE 210 HG12 -0.42 -0.09 0.06 -0.04 1.49 1.00 3hvdE1 ILE 210 HG13 -0.74 0.08 -0.24 -0.04 1.21 0.27 3hvdE1 ILE 210 HG23 -0.15 -0.01 -0.02 -0.04 0.93 0.71 3hvdE1 ILE 210 HD13 -0.29 0.01 -0.03 -0.04 0.88 0.53 3hvdE1 HIS 211 H -0.52 0.43 -0.10 -0.55 8.41 7.67 3hvdE1 HIS 211 HA -0.35 0.21 0.78 -0.75 4.63 4.52 3hvdE1 HIS 211 HB2 -1.81 0.03 -0.06 -0.04 3.26 1.38 3hvdE1 HIS 211 HB3 -1.64 0.07 -0.16 -0.04 3.20 1.43 3hvdE1 HIS 211 HD2 -0.20 0.06 -0.08 -0.04 6.97 6.70 3hvdE1 HIS 211 HE1 -0.09 0.26 -0.18 -0.04 7.75 7.69 3hvdE1 GLU 212 H -0.23 0.19 -0.25 -0.55 8.60 7.76 3hvdE1 GLU 212 HA 0.26 0.15 0.35 -0.75 4.29 4.30 3hvdE1 GLU 212 HB2 0.16 0.17 0.14 -0.04 2.09 2.52 3hvdE1 GLU 212 HB3 0.05 0.02 0.12 -0.04 1.99 2.13 3hvdE1 GLU 212 HG2 0.11 -0.02 -0.06 -0.04 2.34 2.33 3hvdE1 GLU 212 HG3 0.25 0.02 0.06 -0.04 2.34 2.63 3hvdE1 LYS 213 H -0.05 0.24 -0.17 -0.55 8.42 7.89 3hvdE1 LYS 213 HA 0.01 0.08 0.40 -0.75 4.32 4.06 3hvdE1 LYS 213 HB2 -0.04 0.04 -0.04 -0.04 1.87 1.80 3hvdE1 LYS 213 HB3 -0.01 -0.02 0.09 -0.04 1.79 1.80 3hvdE1 LYS 213 HG2 -0.01 -0.05 0.06 -0.04 1.46 1.42 3hvdE1 LYS 213 HG3 -0.04 0.19 0.19 -0.04 1.46 1.77 3hvdE1 LYS 213 HD2 -0.06 -0.02 0.02 -0.04 1.69 1.59 3hvdE1 LYS 213 HD3 -0.03 -0.05 0.01 -0.04 1.68 1.57 3hvdE1 LYS 213 HE2 -0.03 -0.05 0.02 -0.04 2.99 2.90 3hvdE1 LYS 213 HE3 -0.05 0.19 0.03 -0.04 2.99 3.12 3hvdE1 LYS 214 H -0.01 0.16 -0.77 -0.55 8.42 7.25 3hvdE1 LYS 214 HA 0.01 0.12 0.52 -0.75 4.32 4.21 3hvdE1 LYS 214 HB2 0.01 0.09 0.05 -0.04 1.87 1.97 3hvdE1 LYS 214 HB3 0.02 -0.01 0.13 -0.04 1.79 1.89 3hvdE1 LYS 214 HG2 -0.01 -0.03 -0.05 -0.04 1.46 1.32 3hvdE1 LYS 214 HG3 -0.05 0.13 0.00 -0.04 1.46 1.51 3hvdE1 LYS 214 HD2 -0.03 -0.06 0.02 -0.04 1.69 1.58 3hvdE1 LYS 214 HD3 0.02 -0.01 0.04 -0.04 1.68 1.69 3hvdE1 LYS 214 HE2 0.03 0.02 0.04 -0.04 2.99 3.04 3hvdE1 LYS 214 HE3 0.01 -0.01 0.02 -0.04 2.99 2.97 3hvdE1 GLY 215 H 0.05 0.34 -0.49 -0.55 8.43 7.79 3hvdE1 GLY 215 HA2 0.06 0.04 0.28 -0.51 4.01 3.87 3hvdE1 GLY 215 HA3 0.04 0.01 0.35 -0.51 4.01 3.89 3hvdE1 LEU 216 H 0.13 0.16 -0.26 -0.55 8.37 7.85 3hvdE1 LEU 216 HA 0.05 0.14 0.66 -0.75 4.35 4.45 3hvdE1 LEU 216 HB2 0.15 0.04 -0.04 -0.04 1.64 1.76 3hvdE1 LEU 216 HB3 0.18 0.01 -0.04 -0.04 1.64 1.75 3hvdE1 LEU 216 HG 0.05 0.07 -0.14 -0.04 1.64 1.58 3hvdE1 LEU 216 HD13 0.01 -0.04 -0.06 -0.04 0.93 0.80 3hvdE1 LEU 216 HD23 0.03 0.02 0.07 -0.04 0.89 0.97 3hvdE1 THR 217 H -0.14 0.16 0.15 -0.55 8.28 7.91 3hvdE1 THR 217 HA -0.25 0.14 0.80 -0.75 4.39 4.33 3hvdE1 THR 217 HB -0.40 0.03 -0.05 -0.04 4.32 3.86 3hvdE1 THR 217 HG23 -0.08 0.02 -0.06 -0.04 1.22 1.05 3hvdE1 LYS 218 H -0.75 0.14 0.09 -0.55 8.42 7.36 3hvdE1 LYS 218 HA -1.16 0.13 0.62 -0.75 4.32 3.17 3hvdE1 LYS 218 HB2 -2.31 -0.04 0.02 -0.04 1.87 -0.50 3hvdE1 LYS 218 HB3 -0.85 -0.02 0.16 -0.04 1.79 1.05 3hvdE1 LYS 218 HG2 -0.65 0.13 -0.14 -0.04 1.46 0.76 3hvdE1 LYS 218 HG3 -1.57 -0.08 -0.05 -0.04 1.46 -0.28 3hvdE1 LYS 218 HD2 -0.98 -0.07 -0.04 -0.04 1.69 0.56 3hvdE1 LYS 218 HD3 -0.51 -0.01 -0.01 -0.04 1.68 1.10 3hvdE1 LYS 218 HE2 -0.21 0.14 0.05 -0.04 2.99 2.92 3hvdE1 LYS 218 HE3 -0.18 -0.04 0.02 -0.04 2.99 2.75 3hvdE1 TYR 219 H -0.62 0.79 0.46 -0.55 8.29 8.37 3hvdE1 TYR 219 HA -0.53 0.09 0.68 -0.75 4.56 4.05 3hvdE1 TYR 219 HB2 -1.61 -0.02 0.03 -0.04 3.06 1.42 3hvdE1 TYR 219 HB3 -0.85 -0.01 0.01 -0.04 2.98 2.09 3hvdE1 TYR 219 HD2 -0.59 -0.07 -0.01 -0.04 7.15 6.43 3hvdE1 TYR 219 HE2 -0.19 -0.04 0.05 -0.04 6.85 6.62 3hvdE1 LYS 220 H -0.11 0.22 0.26 -0.55 8.42 8.23 3hvdE1 LYS 220 HA 0.09 0.24 0.63 -0.75 4.32 4.52 3hvdE1 LYS 220 HB2 -0.00 -0.07 0.03 -0.04 1.87 1.79 3hvdE1 LYS 220 HB3 0.04 0.06 0.12 -0.04 1.79 1.96 3hvdE1 LYS 220 HG2 -0.01 0.10 -0.04 -0.04 1.46 1.47 3hvdE1 LYS 220 HG3 -0.11 -0.07 -0.35 -0.04 1.46 0.89 3hvdE1 LYS 220 HD2 -0.03 -0.10 -0.02 -0.04 1.69 1.51 3hvdE1 LYS 220 HD3 0.01 0.12 0.03 -0.04 1.68 1.79 3hvdE1 LYS 220 HE2 -0.01 0.15 -0.31 -0.04 2.99 2.78 3hvdE1 LYS 220 HE3 -0.08 -0.10 -0.06 -0.04 2.99 2.71 3hvdE1 SER 221 H 0.14 0.60 0.22 -0.55 8.46 8.87 3hvdE1 SER 221 HA 0.08 0.11 0.44 -0.75 4.49 4.36 3hvdE1 SER 221 HB2 0.06 -0.16 0.17 -0.04 3.95 3.98 3hvdE1 SER 221 HB3 0.10 0.15 -0.02 -0.04 3.93 4.12 3hvdE1 SER 222 H 0.05 0.10 0.14 -0.55 8.46 8.20 3hvdE1 SER 222 HA 0.04 0.57 0.88 -0.75 4.49 5.22 3hvdE1 SER 222 HB2 0.04 0.13 -0.20 -0.04 3.95 3.87 3hvdE1 SER 222 HB3 0.04 -0.07 0.11 -0.04 3.93 3.98 3hvdE1 PRO 223 HA 0.01 0.09 0.37 -0.51 4.44 4.41 3hvdE1 PRO 223 HB2 0.02 -0.11 0.03 -0.04 2.28 2.18 3hvdE1 PRO 223 HB3 0.02 0.08 0.14 -0.04 2.02 2.21 3hvdE1 PRO 223 HG2 0.02 -0.01 0.02 -0.04 2.03 2.03 3hvdE1 PRO 223 HG3 0.03 0.06 0.06 -0.04 2.03 2.13 3hvdE1 PRO 223 HD2 0.03 0.47 0.37 -0.04 3.68 4.51 3hvdE1 PRO 223 HD3 0.04 0.26 0.12 -0.04 3.65 4.02 3hvdE1 GLU 224 H 0.04 0.16 -0.59 -0.55 8.60 7.66 3hvdE1 GLU 224 HA 0.04 0.07 0.78 -0.75 4.29 4.43 3hvdE1 GLU 224 HB2 0.03 0.10 -0.02 -0.04 2.09 2.16 3hvdE1 GLU 224 HB3 0.03 0.01 0.11 -0.04 1.99 2.10 3hvdE1 GLU 224 HG2 0.02 -0.02 -0.22 -0.04 2.34 2.09 3hvdE1 GLU 224 HG3 0.02 0.01 -0.20 -0.04 2.34 2.13 3hvdE1 LYS 225 H 0.06 0.45 -0.31 -0.55 8.42 8.07 3hvdE1 LYS 225 HA 0.11 0.15 0.77 -0.75 4.32 4.60 3hvdE1 LYS 225 HB2 0.06 -0.04 -0.00 -0.04 1.87 1.84 3hvdE1 LYS 225 HB3 0.09 0.04 -0.34 -0.04 1.79 1.54 3hvdE1 LYS 225 HG2 0.06 0.05 -0.06 -0.04 1.46 1.47 3hvdE1 LYS 225 HG3 0.05 -0.08 -0.43 -0.04 1.46 0.96 3hvdE1 LYS 225 HD2 0.04 0.08 -0.11 -0.04 1.69 1.65 3hvdE1 LYS 225 HD3 0.05 -0.01 -0.03 -0.04 1.68 1.64 3hvdE1 LYS 225 HE2 0.07 0.10 -0.05 -0.04 2.99 3.07 3hvdE1 LYS 225 HE3 0.05 -0.08 -0.06 -0.04 2.99 2.86 3hvdE1 TRP 226 H 0.29 0.24 0.02 -0.55 7.97 7.97 3hvdE1 TRP 226 HA 0.02 0.02 0.33 -0.75 4.62 4.23 3hvdE1 TRP 226 HB2 -0.00 0.14 0.11 -0.04 3.23 3.44 3hvdE1 TRP 226 HB3 0.00 0.00 0.02 -0.04 3.23 3.22 3hvdE1 TRP 226 HD1 -0.01 0.27 -0.15 -0.04 7.22 7.29 3hvdE1 TRP 226 HE1 -0.00 0.04 0.07 -0.04 10.20 10.26 3hvdE1 TRP 226 HE3 0.00 0.08 -0.35 -0.04 7.59 7.27 3hvdE1 TRP 226 HZ2 0.09 0.00 0.05 -0.04 7.44 7.55 3hvdE1 TRP 226 HZ3 -0.04 0.13 -0.45 -0.04 7.13 6.73 3hvdE1 TRP 226 HH2 0.04 0.07 0.05 -0.04 7.19 7.31 3hvdE1 SER 227 H 0.25 0.14 -0.33 -0.55 8.46 7.97 3hvdE1 SER 227 HA -0.04 0.10 0.76 -0.75 4.49 4.55 3hvdE1 SER 227 HB2 0.26 -0.01 -0.35 -0.04 3.95 3.81 3hvdE1 SER 227 HB3 0.22 0.01 -0.01 -0.04 3.93 4.11 3hvdE1 THR 228 H 0.02 0.21 0.06 -0.55 8.28 8.02 3hvdE1 THR 228 HA 0.05 0.02 0.33 -0.75 4.39 4.04 3hvdE1 THR 228 HB 0.05 0.31 0.15 -0.04 4.32 4.79 3hvdE1 THR 228 HG23 0.05 0.02 -0.03 -0.04 1.22 1.21 3hvdE1 ALA 229 H 0.06 0.09 -0.25 -0.55 8.40 7.77 3hvdE1 ALA 229 HA 0.06 0.18 0.43 -0.75 4.34 4.25 3hvdE1 ALA 229 HB3 0.09 0.01 -0.12 -0.04 1.41 1.35 3hvdE1 SER 230 H 0.09 0.41 -0.54 -0.55 8.46 7.87 3hvdE1 SER 230 HA 0.09 0.04 0.27 -0.75 4.49 4.13 3hvdE1 SER 230 HB2 0.05 0.36 0.09 -0.04 3.95 4.41 3hvdE1 SER 230 HB3 0.05 -0.14 -0.02 -0.04 3.93 3.77 3hvdE1 ASP 231 H 0.13 -0.05 -0.64 -0.55 8.40 7.30 3hvdE1 ASP 231 HA 0.14 0.10 0.41 -0.75 4.63 4.53 3hvdE1 ASP 231 HB2 0.34 0.21 0.21 -0.04 2.71 3.44 3hvdE1 ASP 231 HB3 0.28 -0.00 0.00 -0.04 2.70 2.94 3hvdE1 PRO 232 HA -0.01 0.16 0.33 -0.51 4.44 4.41 3hvdE1 PRO 232 HB2 -0.72 0.01 0.01 -0.04 2.28 1.54 3hvdE1 PRO 232 HB3 -0.42 -0.03 0.03 -0.04 2.02 1.56 3hvdE1 PRO 232 HG2 -1.16 0.03 0.01 -0.04 2.03 0.88 3hvdE1 PRO 232 HG3 -0.70 -0.02 0.01 -0.04 2.03 1.29 3hvdE1 PRO 232 HD2 -0.25 0.16 0.13 -0.04 3.68 3.68 3hvdE1 PRO 232 HD3 0.12 0.17 0.24 -0.04 3.65 4.13 3hvdE1 TYR 233 H 0.10 0.14 -0.49 -0.55 8.29 7.49 3hvdE1 TYR 233 HA 0.08 0.10 0.94 -0.75 4.56 4.93 3hvdE1 TYR 233 HB2 0.01 0.07 -0.00 -0.04 3.06 3.09 3hvdE1 TYR 233 HB3 -0.03 0.02 -0.03 -0.04 2.98 2.90 3hvdE1 TYR 233 HD2 0.10 -0.02 0.01 -0.04 7.15 7.20 3hvdE1 TYR 233 HE2 0.24 0.07 0.01 -0.04 6.85 7.13 3hvdE1 SER 234 H -0.51 0.09 0.14 -0.55 8.46 7.63 3hvdE1 SER 234 HA -1.13 0.33 0.47 -0.75 4.49 3.40 3hvdE1 SER 234 HB2 -2.02 0.13 0.22 -0.04 3.95 2.23 3hvdE1 SER 234 HB3 -2.18 0.04 0.17 -0.04 3.93 1.92 3hvdE1 ASP 235 H -0.37 0.63 0.41 -0.55 8.40 8.52 3hvdE1 ASP 235 HA -0.12 0.10 0.45 -0.75 4.63 4.30 3hvdE1 ASP 235 HB2 -0.12 -0.02 0.14 -0.04 2.71 2.67 3hvdE1 ASP 235 HB3 -0.04 0.02 0.03 -0.04 2.70 2.67 3hvdE1 PHE 236 H -0.12 0.08 -0.22 -0.55 8.34 7.53 3hvdE1 PHE 236 HA -0.12 0.08 0.41 -0.75 4.62 4.23 3hvdE1 PHE 236 HB2 -0.15 0.30 0.25 -0.04 3.15 3.51 3hvdE1 PHE 236 HB3 -0.14 -0.11 0.10 -0.04 3.06 2.87 3hvdE1 PHE 236 HD2 0.01 -0.02 -0.18 -0.04 7.28 7.06 3hvdE1 PHE 236 HE2 0.12 0.00 -0.09 -0.04 7.38 7.37 3hvdE1 PHE 236 HZ 0.04 0.01 -0.06 -0.04 7.32 7.27 3hvdE1 GLU 237 H -0.01 0.01 -0.13 -0.55 8.60 7.92 3hvdE1 GLU 237 HA -0.04 -0.00 0.36 -0.75 4.29 3.86 3hvdE1 GLU 237 HB2 -0.06 -0.03 0.16 -0.04 2.09 2.12 3hvdE1 GLU 237 HB3 -0.04 0.09 -0.01 -0.04 1.99 1.99 3hvdE1 GLU 237 HG2 0.04 0.20 0.15 -0.04 2.34 2.68 3hvdE1 GLU 237 HG3 0.34 -0.10 0.10 -0.04 2.34 2.63 3hvdE1 LYS 238 H -0.15 0.51 -0.33 -0.55 8.42 7.91 3hvdE1 LYS 238 HA -0.16 -0.00 0.26 -0.75 4.32 3.66 3hvdE1 LYS 238 HB2 -0.16 -0.02 0.03 -0.04 1.87 1.68 3hvdE1 LYS 238 HB3 -0.16 0.44 -0.17 -0.04 1.79 1.87 3hvdE1 LYS 238 HG2 -0.09 0.07 -0.05 -0.04 1.46 1.35 3hvdE1 LYS 238 HG3 -0.04 -0.13 -0.19 -0.04 1.46 1.06 3hvdE1 LYS 238 HD2 -0.03 -0.17 -0.21 -0.04 1.69 1.23 3hvdE1 LYS 238 HD3 -0.03 0.09 -0.61 -0.04 1.68 1.09 3hvdE1 LYS 238 HE2 0.06 0.30 0.01 -0.04 2.99 3.32 3hvdE1 LYS 238 HE3 0.15 -0.18 -0.07 -0.04 2.99 2.84 3hvdE1 VAL 239 H -0.28 0.32 -0.06 -0.55 8.24 7.67 3hvdE1 VAL 239 HA -0.30 0.19 0.36 -0.75 4.13 3.62 3hvdE1 VAL 239 HB -0.33 -0.12 0.08 -0.04 2.12 1.71 3hvdE1 VAL 239 HG13 -1.06 0.01 0.09 -0.04 0.97 -0.03 3hvdE1 VAL 239 HG23 -0.16 0.04 0.01 -0.04 0.95 0.79 3hvdE1 THR 240 H -0.39 0.45 -0.27 -0.55 8.28 7.52 3hvdE1 THR 240 HA -0.23 0.06 0.54 -0.75 4.39 4.00 3hvdE1 THR 240 HB -1.00 -0.04 0.02 -0.04 4.32 3.26 3hvdE1 THR 240 HG23 -0.45 -0.02 -0.02 -0.04 1.22 0.69 3hvdE1 GLY 241 H -0.22 0.43 -0.36 -0.55 8.43 7.73 3hvdE1 GLY 241 HA2 -0.15 0.11 0.24 -0.51 4.01 3.70 3hvdE1 GLY 241 HA3 -0.13 0.07 0.53 -0.51 4.01 3.98 3hvdE1 ARG 242 H -0.30 0.10 -0.32 -0.55 8.46 7.39 3hvdE1 ARG 242 HA -0.72 0.11 0.63 -0.75 4.34 3.60 3hvdE1 ARG 242 HB2 -0.35 -0.05 0.13 -0.04 1.90 1.60 3hvdE1 ARG 242 HB3 -1.25 -0.08 0.02 -0.04 1.80 0.45 3hvdE1 ARG 242 HG2 -0.21 0.04 -0.10 -0.04 1.67 1.36 3hvdE1 ARG 242 HG3 -0.17 0.08 -0.19 -0.04 1.67 1.34 3hvdE1 ARG 242 HD2 0.45 -0.02 -0.06 -0.04 3.22 3.55 3hvdE1 ARG 242 HD3 0.13 -0.06 -0.04 -0.04 3.22 3.20 3hvdE1 ILE 243 H -0.34 0.53 -0.01 -0.55 8.25 7.88 3hvdE1 ILE 243 HA -0.09 -0.04 0.56 -0.75 4.18 3.84 3hvdE1 ILE 243 HB -0.18 0.10 -0.67 -0.04 1.89 1.09 3hvdE1 ILE 243 HG12 -0.23 -0.03 -0.04 -0.04 1.49 1.15 3hvdE1 ILE 243 HG13 -0.03 -0.10 -0.00 -0.04 1.21 1.03 3hvdE1 ILE 243 HG23 -0.17 0.03 -0.42 -0.04 0.93 0.33 3hvdE1 ILE 243 HD13 -0.56 0.02 -0.17 -0.04 0.88 0.13 3hvdE1 ASP 244 H 0.09 0.13 0.01 -0.55 8.40 8.08 3hvdE1 ASP 244 HA 0.11 0.01 0.44 -0.75 4.63 4.44 3hvdE1 ASP 244 HB2 0.18 0.04 -0.01 -0.04 2.71 2.89 3hvdE1 ASP 244 HB3 0.12 0.06 0.13 -0.04 2.70 2.96 3hvdE1 LYS 245 H 0.05 0.12 0.25 -0.55 8.42 8.29 3hvdE1 LYS 245 HA -0.03 0.17 0.24 -0.75 4.32 3.95 3hvdE1 LYS 245 HB2 0.03 -0.09 0.10 -0.04 1.87 1.87 3hvdE1 LYS 245 HB3 0.01 0.03 0.12 -0.04 1.79 1.90 3hvdE1 LYS 245 HG2 0.03 0.00 0.16 -0.04 1.46 1.61 3hvdE1 LYS 245 HG3 0.01 -0.04 0.08 -0.04 1.46 1.47 3hvdE1 LYS 245 HD2 -0.02 -0.01 0.07 -0.04 1.69 1.68 3hvdE1 LYS 245 HD3 -0.04 0.09 -0.00 -0.04 1.68 1.68 3hvdE1 LYS 245 HE2 -0.01 -0.09 0.06 -0.04 2.99 2.91 3hvdE1 LYS 245 HE3 -0.05 0.03 0.09 -0.04 2.99 3.02 3hvdE1 ASN 246 H 0.05 -0.11 -0.89 -0.55 8.53 7.03 3hvdE1 ASN 246 HA 0.01 0.17 0.55 -0.75 4.76 4.73 3hvdE1 ASN 246 HB2 0.11 -0.09 -0.06 -0.04 2.88 2.81 3hvdE1 ASN 246 HB3 0.02 -0.02 -0.01 -0.04 2.79 2.74 3hvdE1 ASN 246 HD21 0.02 0.00 -0.07 -0.04 7.03 6.94 3hvdE1 ASN 246 HD22 0.09 -0.03 -0.08 -0.04 7.74 7.68 3hvdE1 VAL 247 H -0.05 0.55 -0.16 -0.55 8.24 8.03 3hvdE1 VAL 247 HA -0.04 0.03 0.60 -0.75 4.13 3.97 3hvdE1 VAL 247 HB -0.21 0.04 -0.02 -0.04 2.12 1.89 3hvdE1 VAL 247 HG13 -0.16 0.08 -0.20 -0.04 0.97 0.65 3hvdE1 VAL 247 HG23 -0.47 -0.06 0.02 -0.04 0.95 0.40 3hvdE1 SER 248 H -0.05 0.63 0.27 -0.55 8.46 8.76 3hvdE1 SER 248 HA -0.04 0.11 0.30 -0.75 4.49 4.10 3hvdE1 SER 248 HB2 -0.06 0.00 0.26 -0.04 3.95 4.12 3hvdE1 SER 248 HB3 -0.05 -0.11 0.06 -0.04 3.93 3.80 3hvdE1 PRO 249 HA -0.02 0.14 0.39 -0.51 4.44 4.44 3hvdE1 PRO 249 HB2 -0.00 -0.00 0.09 -0.04 2.28 2.32 3hvdE1 PRO 249 HB3 -0.00 0.04 0.08 -0.04 2.02 2.10 3hvdE1 PRO 249 HG2 -0.00 0.03 0.09 -0.04 2.03 2.10 3hvdE1 PRO 249 HG3 -0.01 0.09 0.10 -0.04 2.03 2.16 3hvdE1 PRO 249 HD2 -0.02 0.07 0.20 -0.04 3.68 3.88 3hvdE1 PRO 249 HD3 -0.02 0.20 0.19 -0.04 3.65 3.98 3hvdE1 GLU 250 H -0.02 0.15 -0.07 -0.55 8.60 8.11 3hvdE1 GLU 250 HA 0.01 0.09 0.43 -0.75 4.29 4.06 3hvdE1 GLU 250 HB2 -0.07 0.24 0.16 -0.04 2.09 2.37 3hvdE1 GLU 250 HB3 -0.03 -0.03 0.04 -0.04 1.99 1.93 3hvdE1 GLU 250 HG2 -0.06 -0.00 -0.22 -0.04 2.34 2.01 3hvdE1 GLU 250 HG3 -0.12 0.12 -0.01 -0.04 2.34 2.29 3hvdE1 ALA 251 H -0.03 0.19 -0.70 -0.55 8.40 7.31 3hvdE1 ALA 251 HA 0.00 0.27 0.68 -0.75 4.34 4.54 3hvdE1 ALA 251 HB3 -0.01 -0.00 -0.01 -0.04 1.41 1.35 3hvdE1 ARG 252 H -0.02 0.52 -0.38 -0.55 8.46 8.02 3hvdE1 ARG 252 HA -0.09 0.00 0.52 -0.75 4.34 4.02 3hvdE1 ARG 252 HB2 -0.02 0.55 0.26 -0.04 1.90 2.65 3hvdE1 ARG 252 HB3 -0.04 -0.10 -0.06 -0.04 1.80 1.56 3hvdE1 ARG 252 HG2 -0.05 -0.08 0.02 -0.04 1.67 1.52 3hvdE1 ARG 252 HG3 -0.09 0.09 0.06 -0.04 1.67 1.69 3hvdE1 ARG 252 HD2 -0.13 -0.08 -0.08 -0.04 3.22 2.88 3hvdE1 ARG 252 HD3 -0.09 0.04 -0.28 -0.04 3.22 2.85 3hvdE1 HIS 253 H 0.09 0.24 -0.42 -0.55 8.41 7.77 3hvdE1 HIS 253 HA -0.18 0.11 0.60 -0.75 4.63 4.40 3hvdE1 HIS 253 HB2 0.06 0.02 0.06 -0.04 3.26 3.36 3hvdE1 HIS 253 HB3 -0.01 0.23 0.15 -0.04 3.20 3.52 3hvdE1 HIS 253 HD2 0.05 0.03 -0.01 -0.04 6.97 6.99 3hvdE1 HIS 253 HE1 -0.00 0.08 0.03 -0.04 7.75 7.82 3hvdE1 PRO 254 HA 0.01 0.09 0.19 -0.51 4.44 4.22 3hvdE1 PRO 254 HB2 0.03 0.15 0.08 -0.04 2.28 2.50 3hvdE1 PRO 254 HB3 -0.02 -0.14 0.18 -0.04 2.02 1.99 3hvdE1 PRO 254 HG2 -0.18 0.01 0.05 -0.04 2.03 1.87 3hvdE1 PRO 254 HG3 -0.24 0.13 0.15 -0.04 2.03 2.03 3hvdE1 PRO 254 HD2 -0.69 0.07 0.20 -0.04 3.68 3.22 3hvdE1 PRO 254 HD3 -0.76 0.22 0.29 -0.04 3.65 3.36 3hvdE1 LEU 255 H 0.84 0.09 -0.55 -0.55 8.37 8.21 3hvdE1 LEU 255 HA 0.07 0.12 0.72 -0.75 4.35 4.51 3hvdE1 LEU 255 HB2 -0.17 0.01 0.00 -0.04 1.64 1.44 3hvdE1 LEU 255 HB3 -0.02 0.00 0.16 -0.04 1.64 1.74 3hvdE1 LEU 255 HG 0.37 0.02 0.01 -0.04 1.64 2.00 3hvdE1 LEU 255 HD13 0.11 0.01 -0.06 -0.04 0.93 0.94 3hvdE1 LEU 255 HD23 0.08 0.01 -0.14 -0.04 0.89 0.81 3hvdE1 VAL 256 H 0.05 0.59 -0.16 -0.55 8.24 8.17 3hvdE1 VAL 256 HA -0.05 0.16 1.09 -0.75 4.13 4.58 3hvdE1 VAL 256 HB -0.04 0.22 0.31 -0.04 2.12 2.56 3hvdE1 VAL 256 HG13 -0.06 -0.04 -0.26 -0.04 0.97 0.57 3hvdE1 VAL 256 HG23 -0.24 -0.02 -0.15 -0.04 0.95 0.50 3hvdE1 ALA 257 H 0.07 0.51 0.20 -0.55 8.40 8.64 3hvdE1 ALA 257 HA 0.16 -0.08 0.29 -0.75 4.34 3.96 3hvdE1 ALA 257 HB3 0.21 -0.00 -0.00 -0.04 1.41 1.57 3hvdE1 ALA 258 H 0.30 0.06 0.13 -0.55 8.40 8.34 3hvdE1 ALA 258 HA 0.13 0.15 0.88 -0.75 4.34 4.75 3hvdE1 ALA 258 HB3 0.26 0.03 0.07 -0.04 1.41 1.74 3hvdE1 TYR 259 H -0.10 0.26 0.10 -0.55 8.29 7.99 3hvdE1 TYR 259 HA -0.28 0.12 0.53 -0.75 4.56 4.18 3hvdE1 TYR 259 HB2 -0.08 0.03 0.09 -0.04 3.06 3.07 3hvdE1 TYR 259 HB3 0.28 0.04 -0.27 -0.04 2.98 2.99 3hvdE1 TYR 259 HD2 0.04 0.05 -0.33 -0.04 7.15 6.87 3hvdE1 TYR 259 HE2 0.03 0.00 -0.11 -0.04 6.85 6.73 3hvdE1 PRO 260 HA -0.43 0.08 0.73 -0.51 4.44 4.32 3hvdE1 PRO 260 HB2 -1.28 -0.03 -0.08 -0.04 2.28 0.85 3hvdE1 PRO 260 HB3 -0.72 0.09 -0.03 -0.04 2.02 1.33 3hvdE1 PRO 260 HG2 -1.58 -0.04 -0.06 -0.04 2.03 0.31 3hvdE1 PRO 260 HG3 -1.07 0.16 -0.41 -0.04 2.03 0.67 3hvdE1 PRO 260 HD2 -0.78 0.10 0.18 -0.04 3.68 3.14 3hvdE1 PRO 260 HD3 -2.33 0.13 0.15 -0.04 3.65 1.55 3hvdE1 ILE 261 H -0.28 0.06 0.12 -0.55 8.25 7.60 3hvdE1 ILE 261 HA 0.04 0.20 0.71 -0.75 4.18 4.38 3hvdE1 ILE 261 HB -0.12 -0.12 -0.07 -0.04 1.89 1.54 3hvdE1 ILE 261 HG12 0.09 0.13 -0.10 -0.04 1.49 1.57 3hvdE1 ILE 261 HG13 -0.39 -0.14 -0.55 -0.04 1.21 0.09 3hvdE1 ILE 261 HG23 0.02 0.02 -0.12 -0.04 0.93 0.82 3hvdE1 ILE 261 HD13 -0.09 0.04 -0.08 -0.04 0.88 0.71 3hvdE1 VAL 262 H 0.13 0.20 0.03 -0.55 8.24 8.06 3hvdE1 VAL 262 HA 0.03 0.42 0.94 -0.75 4.13 4.77 3hvdE1 VAL 262 HB 0.26 0.00 0.07 -0.04 2.12 2.42 3hvdE1 VAL 262 HG13 0.18 -0.00 -0.24 -0.04 0.97 0.87 3hvdE1 VAL 262 HG23 -0.33 -0.02 -0.14 -0.04 0.95 0.41 3hvdE1 HIS 263 H 0.15 0.53 0.38 -0.55 8.41 8.92 3hvdE1 HIS 263 HA 0.07 0.18 0.62 -0.75 4.63 4.75 3hvdE1 HIS 263 HB2 0.02 -0.02 -0.06 -0.04 3.26 3.16 3hvdE1 HIS 263 HB3 0.03 0.03 -0.17 -0.04 3.20 3.04 3hvdE1 HIS 263 HD2 -0.04 0.14 0.07 -0.04 6.97 7.09 3hvdE1 HIS 263 HE1 -0.01 -0.01 -0.19 -0.04 7.75 7.50 3hvdE1 VAL 264 H 0.02 0.19 0.03 -0.55 8.24 7.93 3hvdE1 VAL 264 HA -0.29 0.23 0.95 -0.75 4.13 4.27 3hvdE1 VAL 264 HB -0.09 -0.04 -0.07 -0.04 2.12 1.88 3hvdE1 VAL 264 HG13 -0.29 0.00 -0.31 -0.04 0.97 0.33 3hvdE1 VAL 264 HG23 -0.19 0.01 -0.25 -0.04 0.95 0.47 3hvdE1 ASP 265 H -0.20 0.81 0.31 -0.55 8.40 8.78 3hvdE1 ASP 265 HA -0.03 0.09 0.88 -0.75 4.63 4.82 3hvdE1 ASP 265 HB2 -0.06 -0.00 -0.14 -0.04 2.71 2.47 3hvdE1 ASP 265 HB3 -0.02 0.06 0.05 -0.04 2.70 2.75 3hvdE1 MET 266 H -0.01 0.15 0.02 -0.55 8.47 8.09 3hvdE1 MET 266 HA -0.04 0.19 0.85 -0.75 4.52 4.78 3hvdE1 MET 266 HB2 -0.03 -0.03 -0.16 -0.04 2.15 1.89 3hvdE1 MET 266 HB3 -0.00 -0.04 -0.04 -0.04 2.03 1.91 3hvdE1 MET 266 HG2 -0.01 -0.01 -0.46 -0.04 2.63 2.11 3hvdE1 MET 266 HG3 -0.02 0.04 -0.18 -0.04 2.56 2.36 3hvdE1 MET 266 HE3 -0.02 -0.00 -0.22 -0.04 2.10 1.82 3hvdE1 GLU 267 H -0.02 0.61 0.36 -0.55 8.60 9.00 3hvdE1 GLU 267 HA -0.00 0.19 0.58 -0.75 4.29 4.30 3hvdE1 GLU 267 HB2 -0.03 -0.01 0.14 -0.04 2.09 2.16 3hvdE1 GLU 267 HB3 -0.02 -0.01 0.05 -0.04 1.99 1.97 3hvdE1 GLU 267 HG2 -0.02 0.01 -0.07 -0.04 2.34 2.22 3hvdE1 GLU 267 HG3 -0.02 0.01 -0.06 -0.04 2.34 2.23 3hvdE1 ASN 268 H -0.02 0.22 0.25 -0.55 8.53 8.44 3hvdE1 ASN 268 HA -0.00 0.04 0.56 -0.75 4.76 4.60 3hvdE1 ASN 268 HB2 -0.01 0.26 0.13 -0.04 2.88 3.22 3hvdE1 ASN 268 HB3 -0.01 0.08 0.07 -0.04 2.79 2.89 3hvdE1 ASN 268 HD21 -0.02 -0.03 -0.09 -0.04 7.03 6.85 3hvdE1 ASN 268 HD22 -0.01 0.04 -0.09 -0.04 7.74 7.63 3hvdE1 ILE 269 H -0.02 0.48 0.26 -0.55 8.25 8.42 3hvdE1 ILE 269 HA -0.03 0.20 1.09 -0.75 4.18 4.69 3hvdE1 ILE 269 HB -0.05 -0.03 0.01 -0.04 1.89 1.78 3hvdE1 ILE 269 HG12 -0.04 0.03 -0.06 -0.04 1.49 1.38 3hvdE1 ILE 269 HG13 -0.12 0.05 -0.38 -0.04 1.21 0.72 3hvdE1 ILE 269 HG23 -0.02 -0.03 -0.28 -0.04 0.93 0.56 3hvdE1 ILE 269 HD13 -0.06 -0.01 -0.17 -0.04 0.88 0.59 3hvdE1 ILE 270 H -0.06 0.39 0.32 -0.55 8.25 8.35 3hvdE1 ILE 270 HA -0.10 0.26 0.85 -0.75 4.18 4.44 3hvdE1 ILE 270 HB -0.05 0.02 -0.12 -0.04 1.89 1.70 3hvdE1 ILE 270 HG12 -0.06 0.05 -0.18 -0.04 1.49 1.26 3hvdE1 ILE 270 HG13 -0.06 0.01 -0.26 -0.04 1.21 0.86 3hvdE1 ILE 270 HG23 -0.04 0.05 -0.04 -0.04 0.93 0.86 3hvdE1 ILE 270 HD13 -0.03 -0.01 -0.11 -0.04 0.88 0.68 3hvdE1 LEU 271 H -0.13 0.45 0.24 -0.55 8.37 8.38 3hvdE1 LEU 271 HA -0.04 0.35 1.11 -0.75 4.35 5.02 3hvdE1 LEU 271 HB2 -0.18 -0.04 0.10 -0.04 1.64 1.47 3hvdE1 LEU 271 HB3 0.07 -0.02 0.04 -0.04 1.64 1.70 3hvdE1 LEU 271 HG -0.24 -0.05 -0.35 -0.04 1.64 0.97 3hvdE1 LEU 271 HD13 -0.46 -0.01 -0.11 -0.04 0.93 0.31 3hvdE1 LEU 271 HD23 -0.04 0.06 -0.07 -0.04 0.89 0.79 3hvdE1 SER 272 H -0.01 0.36 0.33 -0.55 8.46 8.59 3hvdE1 SER 272 HA -0.05 0.19 0.59 -0.75 4.49 4.46 3hvdE1 SER 272 HB2 -0.03 -0.02 0.18 -0.04 3.95 4.05 3hvdE1 SER 272 HB3 -0.04 0.14 -0.02 -0.04 3.93 3.98 3hvdE1 LYS 273 H -0.04 0.27 0.16 -0.55 8.42 8.25 3hvdE1 LYS 273 HA -0.04 0.20 1.14 -0.75 4.32 4.87 3hvdE1 LYS 273 HB2 -0.03 0.01 0.03 -0.04 1.87 1.84 3hvdE1 LYS 273 HB3 -0.07 -0.02 -0.11 -0.04 1.79 1.55 3hvdE1 LYS 273 HG2 -0.05 0.00 -0.10 -0.04 1.46 1.28 3hvdE1 LYS 273 HG3 -0.03 0.02 0.12 -0.04 1.46 1.53 3hvdE1 LYS 273 HD2 -0.03 -0.02 -0.02 -0.04 1.69 1.59 3hvdE1 LYS 273 HD3 -0.04 0.02 -0.24 -0.04 1.68 1.38 3hvdE1 LYS 273 HE2 -0.03 -0.02 0.04 -0.04 2.99 2.95 3hvdE1 LYS 273 HE3 -0.02 -0.01 0.12 -0.04 2.99 3.04 3hvdE1 ASN 274 H -0.01 0.43 0.18 -0.55 8.53 8.58 3hvdE1 ASN 274 HA -0.01 0.07 0.07 -0.75 4.76 4.14 3hvdE1 ASN 274 HB2 -0.00 -0.02 0.11 -0.04 2.88 2.93 3hvdE1 ASN 274 HB3 -0.00 0.01 0.07 -0.04 2.79 2.82 3hvdE1 ASN 274 HD21 0.01 -0.01 -0.08 -0.04 7.03 6.90 3hvdE1 ASN 274 HD22 0.01 -0.03 -0.01 -0.04 7.74 7.67 3hvdE1 ARG 287 HA 0.00 0.10 0.21 -0.75 4.34 3.89 3hvdE1 ARG 287 HB2 -0.01 0.01 0.33 -0.04 1.90 2.18 3hvdE1 ARG 287 HB3 -0.00 -0.03 0.19 -0.04 1.80 1.91 3hvdE1 ARG 287 HG2 -0.01 -0.02 0.14 -0.04 1.67 1.74 3hvdE1 ARG 287 HG3 -0.02 -0.03 0.44 -0.04 1.67 2.02 3hvdE1 ARG 287 HD2 -0.01 -0.01 0.38 -0.04 3.22 3.53 3hvdE1 ARG 287 HD3 -0.02 -0.08 0.25 -0.04 3.22 3.33 3hvdE1 THR 288 H -0.01 0.23 0.12 -0.55 8.28 8.06 3hvdE1 THR 288 HA -0.05 0.18 0.89 -0.75 4.39 4.66 3hvdE1 THR 288 HB -0.05 0.07 0.02 -0.04 4.32 4.32 3hvdE1 THR 288 HG23 -0.03 -0.03 -0.11 -0.04 1.22 1.01 3hvdE1 ILE 289 H -0.12 0.24 0.14 -0.55 8.25 7.96 3hvdE1 ILE 289 HA -0.06 0.12 0.66 -0.75 4.18 4.14 3hvdE1 ILE 289 HB -0.51 -0.07 0.16 -0.04 1.89 1.43 3hvdE1 ILE 289 HG12 -0.02 0.05 -0.07 -0.04 1.49 1.41 3hvdE1 ILE 289 HG13 -0.10 -0.03 -0.09 -0.04 1.21 0.95 3hvdE1 ILE 289 HG23 -0.36 0.01 -0.12 -0.04 0.93 0.42 3hvdE1 ILE 289 HD13 -0.33 0.03 0.03 -0.04 0.88 0.58 3hvdE1 SER 290 H -0.04 0.24 0.20 -0.55 8.46 8.32 3hvdE1 SER 290 HA -0.07 0.22 1.14 -0.75 4.49 5.02 3hvdE1 SER 290 HB2 -0.04 -0.02 -0.01 -0.04 3.95 3.84 3hvdE1 SER 290 HB3 -0.02 -0.02 0.22 -0.04 3.93 4.07 3hvdE1 LYS 291 H -0.06 0.28 0.18 -0.55 8.42 8.27 3hvdE1 LYS 291 HA 0.03 0.18 1.02 -0.75 4.32 4.81 3hvdE1 LYS 291 HB2 0.07 -0.06 0.04 -0.04 1.87 1.88 3hvdE1 LYS 291 HB3 0.12 0.01 0.16 -0.04 1.79 2.04 3hvdE1 LYS 291 HG2 0.13 -0.15 -0.26 -0.04 1.46 1.14 3hvdE1 LYS 291 HG3 0.39 0.23 -0.05 -0.04 1.46 1.99 3hvdE1 LYS 291 HD2 0.10 -0.00 0.04 -0.04 1.69 1.78 3hvdE1 LYS 291 HD3 0.07 0.08 0.11 -0.04 1.68 1.90 3hvdE1 LYS 291 HE2 0.09 -0.04 0.10 -0.04 2.99 3.09 3hvdE1 LYS 291 HE3 0.13 -0.13 -0.07 -0.04 2.99 2.89 3hvdE1 ASN 292 H 0.03 0.12 0.26 -0.55 8.53 8.40 3hvdE1 ASN 292 HA 0.01 0.11 0.94 -0.75 4.76 5.06 3hvdE1 ASN 292 HB2 0.01 -0.06 0.22 -0.04 2.88 3.01 3hvdE1 ASN 292 HB3 0.01 0.13 0.12 -0.04 2.79 3.00 3hvdE1 ASN 292 HD21 -0.00 -0.03 0.03 -0.04 7.03 6.99 3hvdE1 ASN 292 HD22 0.00 -0.00 0.06 -0.04 7.74 7.76 3hvdE1 THR 293 H 0.01 0.86 0.47 -0.55 8.28 9.07 3hvdE1 THR 293 HA 0.04 0.34 1.15 -0.75 4.39 5.17 3hvdE1 THR 293 HB 0.02 -0.06 -0.15 -0.04 4.32 4.08 3hvdE1 THR 293 HG23 0.03 -0.04 -0.35 -0.04 1.22 0.82 3hvdE1 SER 294 H 0.03 0.45 0.38 -0.55 8.46 8.77 3hvdE1 SER 294 HA 0.03 0.18 0.96 -0.75 4.49 4.90 3hvdE1 SER 294 HB2 0.03 -0.02 0.14 -0.04 3.95 4.06 3hvdE1 SER 294 HB3 0.03 0.04 0.07 -0.04 3.93 4.02 3hvdE1 THR 295 H 0.05 0.22 0.20 -0.55 8.28 8.20 3hvdE1 THR 295 HA 0.04 0.42 1.17 -0.75 4.39 5.27 3hvdE1 THR 295 HB 0.07 -0.01 0.03 -0.04 4.32 4.37 3hvdE1 THR 295 HG23 0.07 0.04 -0.15 -0.04 1.22 1.15 3hvdE1 SER 296 H 0.05 0.45 0.31 -0.55 8.46 8.73 3hvdE1 SER 296 HA 0.05 0.12 0.81 -0.75 4.49 4.72 3hvdE1 SER 296 HB2 0.02 -0.01 0.07 -0.04 3.95 3.99 3hvdE1 SER 296 HB3 0.01 0.06 0.03 -0.04 3.93 3.99 3hvdE1 ARG 297 H -0.07 0.12 0.14 -0.55 8.46 8.10 3hvdE1 ARG 297 HA -0.08 0.05 0.68 -0.75 4.34 4.24 3hvdE1 ARG 297 HB2 -0.80 -0.06 0.12 -0.04 1.90 1.12 3hvdE1 ARG 297 HB3 -0.27 0.03 0.13 -0.04 1.80 1.65 3hvdE1 ARG 297 HG2 -0.17 0.21 0.10 -0.04 1.67 1.76 3hvdE1 ARG 297 HG3 -0.61 -0.11 -0.02 -0.04 1.67 0.90 3hvdE1 ARG 297 HD2 -0.20 -0.05 -0.08 -0.04 3.22 2.84 3hvdE1 ARG 297 HD3 -0.54 -0.04 -0.01 -0.04 3.22 2.59 3hvdE1 THR 298 H -0.01 0.59 0.49 -0.55 8.28 8.80 3hvdE1 THR 298 HA 0.02 0.26 0.88 -0.75 4.39 4.80 3hvdE1 THR 298 HB 0.02 -0.08 0.05 -0.04 4.32 4.26 3hvdE1 THR 298 HG23 0.02 0.02 -0.12 -0.04 1.22 1.10 3hvdE1 HIS 299 H 0.07 0.43 0.08 -0.55 8.41 8.45 3hvdE1 HIS 299 HA -0.00 0.06 0.49 -0.75 4.63 4.42 3hvdE1 HIS 299 HB2 -0.02 0.12 -0.03 -0.04 3.26 3.30 3hvdE1 HIS 299 HB3 -0.03 -0.03 -0.06 -0.04 3.20 3.04 3hvdE1 HIS 299 HD2 -0.03 -0.10 -0.34 -0.04 6.97 6.46 3hvdE1 HIS 299 HE1 0.02 0.00 -0.06 -0.04 7.75 7.67 3hvdE1 THR 300 H -0.31 0.16 0.10 -0.55 8.28 7.68 3hvdE1 THR 300 HA -0.10 0.28 0.86 -0.75 4.39 4.68 3hvdE1 THR 300 HB -0.06 -0.01 0.17 -0.04 4.32 4.38 3hvdE1 THR 300 HG23 -0.04 0.03 -0.15 -0.04 1.22 1.02 3hvdE1 SER 301 H -0.07 0.16 0.08 -0.55 8.46 8.08 3hvdE1 SER 301 HA -0.06 0.14 0.33 -0.75 4.49 4.14 3hvdE1 SER 301 HB2 -0.01 -0.02 0.16 -0.04 3.95 4.04 3hvdE1 SER 301 HB3 -0.01 -0.00 0.08 -0.04 3.93 3.96 3hvdE1 GLU 302 H -0.19 0.20 -1.21 -0.55 8.60 6.85 3hvdE1 GLU 302 HA -0.05 -0.04 0.25 -0.75 4.29 3.69 3hvdE1 GLU 302 HB2 -0.04 0.07 -0.12 -0.04 2.09 1.96 3hvdE1 GLU 302 HB3 -0.09 -0.10 -0.01 -0.04 1.99 1.75 3hvdE1 GLU 302 HG2 -0.31 0.26 0.11 -0.04 2.34 2.35 3hvdE1 GLU 302 HG3 -0.06 0.05 -0.00 -0.04 2.34 2.29 3hvdE1 PRO 303 HA 0.00 0.09 0.27 -0.51 4.44 4.29 3hvdE1 PRO 303 HB2 0.00 0.02 0.09 -0.04 2.28 2.35 3hvdE1 PRO 303 HB3 -0.00 -0.00 0.10 -0.04 2.02 2.08 3hvdE1 PRO 303 HG2 -0.00 0.05 0.06 -0.04 2.03 2.10 3hvdE1 PRO 303 HG3 -0.00 0.01 0.06 -0.04 2.03 2.05 3hvdE1 PRO 303 HD2 -0.02 0.04 0.15 -0.04 3.68 3.81 3hvdE1 PRO 303 HD3 -0.02 0.14 0.08 -0.04 3.65 3.81 3hvdE1 SER 327 HA 0.04 -0.14 0.26 -0.75 4.49 3.90 3hvdE1 SER 327 HB2 0.03 0.18 0.03 -0.04 3.95 4.15 3hvdE1 SER 327 HB3 0.01 -0.11 0.09 -0.04 3.93 3.88 3hvdE1 ASN 328 H 0.08 0.13 0.15 -0.55 8.53 8.34 3hvdE1 ASN 328 HA 0.07 0.11 0.60 -0.75 4.76 4.78 3hvdE1 ASN 328 HB2 0.14 0.15 0.13 -0.04 2.88 3.26 3hvdE1 ASN 328 HB3 0.11 -0.06 -0.04 -0.04 2.79 2.75 3hvdE1 ASN 328 HD21 0.25 -0.09 0.03 -0.04 7.03 7.17 3hvdE1 ASN 328 HD22 0.21 0.47 0.06 -0.04 7.74 8.44 3hvdE1 SER 329 H 0.05 0.30 0.32 -0.55 8.46 8.58 3hvdE1 SER 329 HA 0.07 0.19 1.02 -0.75 4.49 5.01 3hvdE1 SER 329 HB2 0.03 0.03 -0.13 -0.04 3.95 3.85 3hvdE1 SER 329 HB3 0.03 -0.00 0.00 -0.04 3.93 3.91 3hvdE1 SER 330 H 0.06 0.54 0.37 -0.55 8.46 8.88 3hvdE1 SER 330 HA 0.05 0.17 1.09 -0.75 4.49 5.05 3hvdE1 SER 330 HB2 0.13 -0.08 -0.01 -0.04 3.95 3.95 3hvdE1 SER 330 HB3 0.28 -0.06 -0.11 -0.04 3.93 4.00 3hvdE1 THR 331 H 0.05 0.30 0.24 -0.55 8.28 8.33 3hvdE1 THR 331 HA 0.03 0.15 0.97 -0.75 4.39 4.79 3hvdE1 THR 331 HB 0.03 -0.00 0.09 -0.04 4.32 4.39 3hvdE1 THR 331 HG23 0.02 0.02 -0.13 -0.04 1.22 1.09 3hvdE1 VAL 332 H 0.03 0.47 0.30 -0.55 8.24 8.48 3hvdE1 VAL 332 HA 0.03 0.34 1.03 -0.75 4.13 4.78 3hvdE1 VAL 332 HB 0.02 0.05 -0.07 -0.04 2.12 2.08 3hvdE1 VAL 332 HG13 0.02 -0.03 -0.13 -0.04 0.97 0.78 3hvdE1 VAL 332 HG23 0.02 0.02 -0.14 -0.04 0.95 0.81 3hvdE1 ALA 333 H 0.04 0.50 0.40 -0.55 8.40 8.79 3hvdE1 ALA 333 HA 0.04 0.22 1.04 -0.75 4.34 4.90 3hvdE1 ALA 333 HB3 0.04 0.01 0.08 -0.04 1.41 1.50 3hvdE1 ILE 334 H 0.09 0.68 0.24 -0.55 8.25 8.71 3hvdE1 ILE 334 HA 0.09 0.09 0.66 -0.75 4.18 4.27 3hvdE1 ILE 334 HB 0.29 0.06 0.02 -0.04 1.89 2.22 3hvdE1 ILE 334 HG12 0.07 -0.05 -0.21 -0.04 1.49 1.26 3hvdE1 ILE 334 HG13 0.09 -0.01 -0.24 -0.04 1.21 1.01 3hvdE1 ILE 334 HG23 0.23 0.03 -0.10 -0.04 0.93 1.04 3hvdE1 ILE 334 HD13 0.12 -0.03 -0.20 -0.04 0.88 0.73 3hvdE1 ASP 335 H 0.10 0.55 0.32 -0.55 8.40 8.82 3hvdE1 ASP 335 HA 0.04 -0.01 0.45 -0.75 4.63 4.34 3hvdE1 ASP 335 HB2 0.04 0.17 0.31 -0.04 2.71 3.19 3hvdE1 ASP 335 HB3 0.07 -0.06 0.21 -0.04 2.70 2.88 3hvdE1 HIS 336 H -0.16 0.06 0.24 -0.55 8.41 8.01 3hvdE1 HIS 336 HA -0.03 0.22 0.83 -0.75 4.63 4.88 3hvdE1 HIS 336 HB2 -0.03 0.04 0.15 -0.04 3.26 3.37 3hvdE1 HIS 336 HB3 -0.04 0.08 0.07 -0.04 3.20 3.27 3hvdE1 HIS 336 HD2 -0.17 -0.12 -0.22 -0.04 6.97 6.42 3hvdE1 HIS 336 HE1 -0.04 -0.05 -0.05 -0.04 7.75 7.57 3hvdE1 SER 337 H -0.34 -0.04 0.05 -0.55 8.46 7.58 3hvdE1 SER 337 HA -0.24 0.09 0.57 -0.75 4.49 4.15 3hvdE1 SER 337 HB2 -0.15 0.00 0.12 -0.04 3.95 3.88 3hvdE1 SER 337 HB3 -0.10 0.10 0.04 -0.04 3.93 3.93 3hvdE1 LEU 338 H -0.08 0.45 0.26 -0.55 8.37 8.45 3hvdE1 LEU 338 HA 0.06 0.14 0.32 -0.75 4.35 4.11 3hvdE1 LEU 338 HB2 0.10 -0.00 0.17 -0.04 1.64 1.86 3hvdE1 LEU 338 HB3 0.06 -0.00 0.16 -0.04 1.64 1.82 3hvdE1 LEU 338 HG -0.12 0.07 0.16 -0.04 1.64 1.72 3hvdE1 LEU 338 HD13 -0.01 -0.02 0.04 -0.04 0.93 0.91 3hvdE1 LEU 338 HD23 0.01 0.01 1.10 -0.04 0.89 1.97 3hvdE1 THR 345 HA 0.11 0.03 0.22 -0.75 4.39 3.99 3hvdE1 THR 345 HB 0.11 -0.04 -0.01 -0.04 4.32 4.34 3hvdE1 THR 345 HG23 0.13 -0.05 -0.09 -0.04 1.22 1.17 3hvdE1 TRP 346 H 0.28 0.20 0.10 -0.55 7.97 8.01 3hvdE1 TRP 346 HA 0.14 0.12 0.46 -0.75 4.62 4.59 3hvdE1 TRP 346 HB2 0.14 -0.02 0.18 -0.04 3.23 3.49 3hvdE1 TRP 346 HB3 0.40 0.02 -0.04 -0.04 3.23 3.57 3hvdE1 TRP 346 HD1 0.08 -0.03 -0.10 -0.04 7.22 7.13 3hvdE1 TRP 346 HE1 0.04 0.05 -0.08 -0.04 10.20 10.17 3hvdE1 TRP 346 HE3 -0.34 -0.06 -0.02 -0.04 7.59 7.13 3hvdE1 TRP 346 HZ2 0.01 0.17 -0.05 -0.04 7.44 7.52 3hvdE1 TRP 346 HZ3 -0.20 -0.02 -0.20 -0.04 7.13 6.67 3hvdE1 TRP 346 HH2 -0.05 -0.02 -0.08 -0.04 7.19 7.01 3hvdE1 ALA 347 H 0.39 0.11 -0.02 -0.55 8.40 8.33 3hvdE1 ALA 347 HA -0.03 0.07 0.30 -0.75 4.34 3.93 3hvdE1 ALA 347 HB3 0.16 0.00 0.03 -0.04 1.41 1.56 3hvdE1 GLU 348 H 0.16 0.01 -0.88 -0.55 8.60 7.34 3hvdE1 GLU 348 HA 0.06 0.18 0.78 -0.75 4.29 4.56 3hvdE1 GLU 348 HB2 0.09 0.10 -0.03 -0.04 2.09 2.21 3hvdE1 GLU 348 HB3 0.06 -0.01 -0.06 -0.04 1.99 1.94 3hvdE1 GLU 348 HG2 0.09 -0.11 -0.18 -0.04 2.34 2.10 3hvdE1 GLU 348 HG3 0.07 -0.00 -0.07 -0.04 2.34 2.30 3hvdE1 THR 349 H 0.14 0.65 0.07 -0.55 8.28 8.59 3hvdE1 THR 349 HA 0.06 -0.02 0.40 -0.75 4.39 4.08 3hvdE1 THR 349 HB 0.11 -0.00 0.06 -0.04 4.32 4.44 3hvdE1 THR 349 HG23 0.05 -0.04 -0.12 -0.04 1.22 1.06 3hvdE1 MET 350 H 0.02 0.32 -0.44 -0.55 8.47 7.82 3hvdE1 MET 350 HA -0.03 0.18 0.75 -0.75 4.52 4.66 3hvdE1 MET 350 HB2 -0.17 -0.07 -0.11 -0.04 2.15 1.76 3hvdE1 MET 350 HB3 -0.09 -0.04 -0.13 -0.04 2.03 1.73 3hvdE1 MET 350 HG2 -0.06 0.18 -0.20 -0.04 2.63 2.51 3hvdE1 MET 350 HG3 -0.02 -0.04 -0.23 -0.04 2.56 2.23 3hvdE1 MET 350 HE3 -0.20 -0.04 -0.24 -0.04 2.10 1.57 3hvdE1 GLY 351 H -0.02 0.16 -0.01 -0.55 8.43 8.01 3hvdE1 GLY 351 HA2 0.00 0.12 0.38 -0.51 4.01 4.00 3hvdE1 GLY 351 HA3 -0.01 -0.04 0.35 -0.51 4.01 3.80 3hvdE1 LEU 352 H -0.01 0.73 0.41 -0.55 8.37 8.96 3hvdE1 LEU 352 HA -0.02 0.01 0.68 -0.75 4.35 4.27 3hvdE1 LEU 352 HB2 -0.06 0.23 0.18 -0.04 1.64 1.94 3hvdE1 LEU 352 HB3 0.04 -0.10 -0.11 -0.04 1.64 1.43 3hvdE1 LEU 352 HG -0.24 0.10 -0.28 -0.04 1.64 1.17 3hvdE1 LEU 352 HD13 -0.84 -0.02 -0.13 -0.04 0.93 -0.11 3hvdE1 LEU 352 HD23 -0.12 -0.01 -0.26 -0.04 0.89 0.45 3hvdE1 ASN 353 H 0.01 0.13 0.17 -0.55 8.53 8.29 3hvdE1 ASN 353 HA -0.07 0.25 0.87 -0.75 4.76 5.05 3hvdE1 ASN 353 HB2 -0.04 -0.04 0.00 -0.04 2.88 2.77 3hvdE1 ASN 353 HB3 -0.06 -0.05 0.10 -0.04 2.79 2.73 3hvdE1 ASN 353 HD21 -0.01 0.06 -0.05 -0.04 7.03 6.99 3hvdE1 ASN 353 HD22 -0.02 -0.04 -0.03 -0.04 7.74 7.61 3hvdE1 THR 354 H -0.26 0.20 0.15 -0.55 8.28 7.83 3hvdE1 THR 354 HA -0.80 0.05 0.36 -0.75 4.39 3.24 3hvdE1 THR 354 HB -0.16 -0.00 0.10 -0.04 4.32 4.21 3hvdE1 THR 354 HG23 -0.14 0.00 0.02 -0.04 1.22 1.05 3hvdE1 ALA 355 H -0.08 0.01 -0.54 -0.55 8.40 7.24 3hvdE1 ALA 355 HA -0.01 0.20 0.92 -0.75 4.34 4.69 3hvdE1 ALA 355 HB3 -0.02 -0.00 0.08 -0.04 1.41 1.42 3hvdE1 ASP 356 H 0.02 0.60 -0.11 -0.55 8.40 8.36 3hvdE1 ASP 356 HA 0.01 0.20 0.90 -0.75 4.63 4.98 3hvdE1 ASP 356 HB2 0.04 0.09 0.13 -0.04 2.71 2.93 3hvdE1 ASP 356 HB3 -0.00 0.01 0.13 -0.04 2.70 2.80 3hvdE1 THR 357 H 0.00 0.24 0.17 -0.55 8.28 8.14 3hvdE1 THR 357 HA 0.04 0.19 0.72 -0.75 4.39 4.59 3hvdE1 THR 357 HB 0.02 -0.02 -0.10 -0.04 4.32 4.18 3hvdE1 THR 357 HG23 0.04 -0.00 -0.21 -0.04 1.22 1.01 3hvdE1 ALA 358 H 0.04 0.68 0.29 -0.55 8.40 8.85 3hvdE1 ALA 358 HA -0.03 0.22 1.07 -0.75 4.34 4.85 3hvdE1 ALA 358 HB3 0.03 -0.01 0.07 -0.04 1.41 1.46 3hvdE1 ARG 359 H -0.00 0.47 0.24 -0.55 8.46 8.62 3hvdE1 ARG 359 HA 0.02 0.38 1.02 -0.75 4.34 5.00 3hvdE1 ARG 359 HB2 0.00 0.02 -0.07 -0.04 1.90 1.81 3hvdE1 ARG 359 HB3 -0.00 -0.13 -0.14 -0.04 1.80 1.49 3hvdE1 ARG 359 HG2 -0.01 -0.09 -0.11 -0.04 1.67 1.42 3hvdE1 ARG 359 HG3 -0.01 0.11 -0.41 -0.04 1.67 1.32 3hvdE1 ARG 359 HD2 -0.01 -0.05 -0.25 -0.04 3.22 2.87 3hvdE1 ARG 359 HD3 -0.01 0.02 -0.17 -0.04 3.22 3.02 3hvdE1 LEU 360 H 0.01 0.67 0.32 -0.55 8.37 8.82 3hvdE1 LEU 360 HA -0.01 0.18 0.85 -0.75 4.35 4.61 3hvdE1 LEU 360 HB2 0.01 -0.01 -0.09 -0.04 1.64 1.51 3hvdE1 LEU 360 HB3 0.00 -0.00 0.08 -0.04 1.64 1.67 3hvdE1 LEU 360 HG -0.01 -0.02 -0.23 -0.04 1.64 1.33 3hvdE1 LEU 360 HD13 -0.04 -0.07 -0.03 -0.04 0.93 0.76 3hvdE1 LEU 360 HD23 -0.01 -0.02 -0.14 -0.04 0.89 0.68 3hvdE1 ASN 361 H -0.03 0.28 0.20 -0.55 8.53 8.44 3hvdE1 ASN 361 HA -0.01 0.38 0.94 -0.75 4.76 5.31 3hvdE1 ASN 361 HB2 -0.02 -0.00 -0.27 -0.04 2.88 2.55 3hvdE1 ASN 361 HB3 -0.03 -0.01 0.11 -0.04 2.79 2.83 3hvdE1 ASN 361 HD21 -0.02 -0.04 -0.10 -0.04 7.03 6.83 3hvdE1 ASN 361 HD22 -0.02 -0.02 -0.10 -0.04 7.74 7.57 3hvdE1 ALA 362 H -0.02 0.31 0.25 -0.55 8.40 8.40 3hvdE1 ALA 362 HA -0.03 0.28 1.18 -0.75 4.34 5.03 3hvdE1 ALA 362 HB3 -0.02 -0.02 -0.07 -0.04 1.41 1.26 3hvdE1 ASN 363 H -0.03 0.61 0.37 -0.55 8.53 8.93 3hvdE1 ASN 363 HA -0.03 0.33 1.09 -0.75 4.76 5.40 3hvdE1 ASN 363 HB2 -0.03 -0.07 0.21 -0.04 2.88 2.95 3hvdE1 ASN 363 HB3 -0.03 0.02 0.03 -0.04 2.79 2.78 3hvdE1 ASN 363 HD21 -0.02 -0.02 -0.10 -0.04 7.03 6.85 3hvdE1 ASN 363 HD22 -0.03 -0.01 -0.04 -0.04 7.74 7.62 3hvdE1 ILE 364 H -0.04 0.61 0.27 -0.55 8.25 8.54 3hvdE1 ILE 364 HA -0.06 0.21 1.11 -0.75 4.18 4.69 3hvdE1 ILE 364 HB -0.18 0.05 -0.12 -0.04 1.89 1.59 3hvdE1 ILE 364 HG12 -0.09 -0.03 -0.23 -0.04 1.49 1.09 3hvdE1 ILE 364 HG13 -0.06 0.05 -0.12 -0.04 1.21 1.04 3hvdE1 ILE 364 HG23 -0.07 -0.04 -0.40 -0.04 0.93 0.38 3hvdE1 ILE 364 HD13 -0.17 -0.01 -0.28 -0.04 0.88 0.38 3hvdE1 ARG 365 H -0.07 0.69 0.37 -0.55 8.46 8.89 3hvdE1 ARG 365 HA -0.01 0.14 0.55 -0.75 4.34 4.26 3hvdE1 ARG 365 HB2 0.13 0.02 -0.13 -0.04 1.90 1.88 3hvdE1 ARG 365 HB3 0.01 0.05 0.08 -0.04 1.80 1.90 3hvdE1 ARG 365 HG2 0.01 -0.10 -0.14 -0.04 1.67 1.40 3hvdE1 ARG 365 HG3 0.16 -0.04 -0.07 -0.04 1.67 1.68 3hvdE1 ARG 365 HD2 -0.08 -0.05 -0.10 -0.04 3.22 2.95 3hvdE1 ARG 365 HD3 0.04 -0.01 -0.14 -0.04 3.22 3.07 3hvdE1 TYR 366 H 0.31 0.77 0.35 -0.55 8.29 9.18 3hvdE1 TYR 366 HA -0.07 0.15 0.89 -0.75 4.56 4.78 3hvdE1 TYR 366 HB2 0.13 -0.00 0.12 -0.04 3.06 3.27 3hvdE1 TYR 366 HB3 -0.01 0.00 -0.03 -0.04 2.98 2.90 3hvdE1 TYR 366 HD2 0.12 0.07 -0.08 -0.04 7.15 7.21 3hvdE1 TYR 366 HE2 0.08 0.04 -0.14 -0.04 6.85 6.79 3hvdE1 VAL 367 H -0.17 0.67 0.38 -0.55 8.24 8.56 3hvdE1 VAL 367 HA -0.24 0.32 1.14 -0.75 4.13 4.60 3hvdE1 VAL 367 HB -0.57 -0.06 0.06 -0.04 2.12 1.51 3hvdE1 VAL 367 HG13 -0.23 0.00 -0.24 -0.04 0.97 0.46 3hvdE1 VAL 367 HG23 -0.45 0.00 -0.22 -0.04 0.95 0.24 3hvdE1 ASN 368 H -0.14 0.58 0.19 -0.55 8.53 8.61 3hvdE1 ASN 368 HA -0.10 0.21 0.95 -0.75 4.76 5.08 3hvdE1 ASN 368 HB2 -0.15 0.00 -0.13 -0.04 2.88 2.57 3hvdE1 ASN 368 HB3 -0.13 0.16 0.01 -0.04 2.79 2.79 3hvdE1 ASN 368 HD21 -0.28 0.35 0.13 -0.04 7.03 7.19 3hvdE1 ASN 368 HD22 -0.21 0.40 -0.15 -0.04 7.74 7.74 3hvdE1 THR 369 H -0.04 0.75 0.30 -0.55 8.28 8.74 3hvdE1 THR 369 HA -0.07 0.12 0.93 -0.75 4.39 4.62 3hvdE1 THR 369 HB -0.06 -0.00 0.22 -0.04 4.32 4.44 3hvdE1 THR 369 HG23 0.01 0.01 -0.09 -0.04 1.22 1.11 3hvdE1 GLY 370 H -0.17 -0.11 -0.15 -0.55 8.43 7.46 3hvdE1 GLY 370 HA2 -0.27 0.27 0.70 -0.51 4.01 4.20 3hvdE1 GLY 370 HA3 -0.33 -0.09 0.47 -0.51 4.01 3.54 3hvdE1 THR 371 H -0.38 0.62 0.40 -0.55 8.28 8.37 3hvdE1 THR 371 HA -0.12 0.22 0.98 -0.75 4.39 4.72 3hvdE1 THR 371 HB -0.07 -0.07 0.23 -0.04 4.32 4.37 3hvdE1 THR 371 HG23 -0.14 0.03 -0.05 -0.04 1.22 1.02 3hvdE1 ALA 372 H -0.22 0.23 -0.08 -0.55 8.40 7.79 3hvdE1 ALA 372 HA 0.04 0.22 0.65 -0.75 4.34 4.50 3hvdE1 ALA 372 HB3 0.21 -0.05 -0.34 -0.04 1.41 1.19 3hvdE1 PRO 373 HA -0.15 0.28 0.61 -0.51 4.44 4.67 3hvdE1 PRO 373 HB2 -0.11 -0.03 -0.20 -0.04 2.28 1.89 3hvdE1 PRO 373 HB3 -0.16 0.03 -0.11 -0.04 2.02 1.74 3hvdE1 PRO 373 HG2 0.28 -0.06 -0.08 -0.04 2.03 2.14 3hvdE1 PRO 373 HG3 0.05 0.17 -0.15 -0.04 2.03 2.06 3hvdE1 PRO 373 HD2 0.42 0.04 0.10 -0.04 3.68 4.21 3hvdE1 PRO 373 HD3 0.15 0.19 0.06 -0.04 3.65 4.00 3hvdE1 ILE 374 H -0.24 0.43 0.25 -0.55 8.25 8.14 3hvdE1 ILE 374 HA 0.12 0.11 0.83 -0.75 4.18 4.48 3hvdE1 ILE 374 HB -0.05 -0.13 0.09 -0.04 1.89 1.75 3hvdE1 ILE 374 HG12 -0.27 0.10 0.13 -0.04 1.49 1.41 3hvdE1 ILE 374 HG13 -0.22 0.03 -0.20 -0.04 1.21 0.77 3hvdE1 ILE 374 HG23 -0.65 0.01 -0.03 -0.04 0.93 0.22 3hvdE1 ILE 374 HD13 -0.24 0.03 -0.05 -0.04 0.88 0.58 3hvdE1 TYR 375 H 0.24 -0.07 0.13 -0.55 8.29 8.04 3hvdE1 TYR 375 HA -0.01 0.28 1.10 -0.75 4.56 5.18 3hvdE1 TYR 375 HB2 0.10 -0.02 0.07 -0.04 3.06 3.18 3hvdE1 TYR 375 HB3 0.04 0.04 -0.03 -0.04 2.98 3.00 3hvdE1 TYR 375 HD2 0.11 0.07 -0.20 -0.04 7.15 7.08 3hvdE1 TYR 375 HE2 0.09 0.02 -0.11 -0.04 6.85 6.82 3hvdE1 ASN 376 H 0.19 -0.08 0.21 -0.55 8.53 8.31 3hvdE1 ASN 376 HA 0.06 0.50 0.65 -0.75 4.76 5.21 3hvdE1 ASN 376 HB2 0.05 -0.09 0.07 -0.04 2.88 2.87 3hvdE1 ASN 376 HB3 0.07 0.10 0.08 -0.04 2.79 2.99 3hvdE1 ASN 376 HD21 0.05 -0.05 0.06 -0.04 7.03 7.05 3hvdE1 ASN 376 HD22 0.04 0.10 0.02 -0.04 7.74 7.86 3hvdE1 VAL 377 H 0.09 -0.16 0.14 -0.55 8.24 7.76 3hvdE1 VAL 377 HA 0.01 0.13 0.55 -0.75 4.13 4.07 3hvdE1 VAL 377 HB 0.10 -0.13 -0.25 -0.04 2.12 1.80 3hvdE1 VAL 377 HG13 0.04 0.10 -0.11 -0.04 0.97 0.96 3hvdE1 VAL 377 HG23 0.06 -0.05 0.01 -0.04 0.95 0.93 3hvdE1 LEU 378 H -0.01 0.44 0.14 -0.55 8.37 8.39 3hvdE1 LEU 378 HA -0.13 0.13 0.62 -0.75 4.35 4.21 3hvdE1 LEU 378 HB2 -0.17 -0.05 -0.17 -0.04 1.64 1.21 3hvdE1 LEU 378 HB3 -0.16 -0.02 -0.04 -0.04 1.64 1.37 3hvdE1 LEU 378 HG -0.98 0.07 -0.03 -0.04 1.64 0.65 3hvdE1 LEU 378 HD13 -0.43 0.01 -0.02 -0.04 0.93 0.45 3hvdE1 LEU 378 HD23 -0.33 -0.02 -0.10 -0.04 0.89 0.40 3hvdE1 PRO 379 HA 0.04 0.03 0.27 -0.51 4.44 4.27 3hvdE1 PRO 379 HB2 0.19 0.03 -0.13 -0.04 2.28 2.34 3hvdE1 PRO 379 HB3 0.12 0.16 -0.02 -0.04 2.02 2.23 3hvdE1 PRO 379 HG2 0.23 0.03 -0.06 -0.04 2.03 2.18 3hvdE1 PRO 379 HG3 0.41 -0.02 -0.12 -0.04 2.03 2.27 3hvdE1 PRO 379 HD2 -0.29 0.10 0.06 -0.04 3.68 3.51 3hvdE1 PRO 379 HD3 -0.09 0.11 0.12 -0.04 3.65 3.75 3hvdE1 THR 380 H 0.03 -0.02 0.18 -0.55 8.28 7.92 3hvdE1 THR 380 HA 0.08 0.39 0.55 -0.75 4.39 4.66 3hvdE1 THR 380 HB 0.03 -0.12 0.13 -0.04 4.32 4.31 3hvdE1 THR 380 HG23 0.04 0.02 -0.16 -0.04 1.22 1.08 3hvdE1 THR 381 H 0.08 0.44 0.25 -0.55 8.28 8.50 3hvdE1 THR 381 HA 0.07 0.25 0.95 -0.75 4.39 4.91 3hvdE1 THR 381 HB 0.13 0.04 -0.22 -0.04 4.32 4.23 3hvdE1 THR 381 HG23 0.17 0.04 -0.10 -0.04 1.22 1.29 3hvdE1 SER 382 H 0.04 0.60 0.30 -0.55 8.46 8.85 3hvdE1 SER 382 HA 0.03 0.11 1.27 -0.75 4.49 5.15 3hvdE1 SER 382 HB2 0.02 0.15 0.05 -0.04 3.95 4.13 3hvdE1 SER 382 HB3 0.03 -0.11 0.00 -0.04 3.93 3.81 3hvdE1 LEU 383 H 0.02 0.38 0.27 -0.55 8.37 8.49 3hvdE1 LEU 383 HA 0.01 0.21 0.77 -0.75 4.35 4.58 3hvdE1 LEU 383 HB2 0.00 0.01 0.03 -0.04 1.64 1.64 3hvdE1 LEU 383 HB3 0.01 -0.12 0.12 -0.04 1.64 1.62 3hvdE1 LEU 383 HG 0.00 0.05 -0.06 -0.04 1.64 1.60 3hvdE1 LEU 383 HD13 -0.00 -0.00 -0.15 -0.04 0.93 0.74 3hvdE1 LEU 383 HD23 0.01 -0.00 -0.27 -0.04 0.89 0.58 3hvdE1 VAL 384 H 0.01 0.70 0.38 -0.55 8.24 8.78 3hvdE1 VAL 384 HA 0.01 0.02 1.07 -0.75 4.13 4.47 3hvdE1 VAL 384 HB 0.01 -0.02 -0.06 -0.04 2.12 2.02 3hvdE1 VAL 384 HG13 0.01 0.01 -0.71 -0.04 0.97 0.25 3hvdE1 VAL 384 HG23 0.02 -0.00 -0.39 -0.04 0.95 0.53 3hvdE1 LEU 385 H 0.01 0.75 0.35 -0.55 8.37 8.94 3hvdE1 LEU 385 HA 0.01 0.14 0.95 -0.75 4.35 4.70 3hvdE1 LEU 385 HB2 0.01 -0.01 0.05 -0.04 1.64 1.65 3hvdE1 LEU 385 HB3 0.01 0.02 0.13 -0.04 1.64 1.77 3hvdE1 LEU 385 HG 0.01 -0.07 -0.16 -0.04 1.64 1.37 3hvdE1 LEU 385 HD13 0.00 -0.07 0.07 -0.04 0.93 0.89 3hvdE1 LEU 385 HD23 0.00 0.01 -0.05 -0.04 0.89 0.80 3hvdE1 GLY 386 H 0.01 0.20 0.14 -0.55 8.43 8.24 3hvdE1 GLY 386 HA2 0.00 0.09 0.31 -0.51 4.01 3.91 3hvdE1 GLY 386 HA3 0.01 -0.06 0.47 -0.51 4.01 3.92 3hvdE1 LYS 387 H 0.01 0.06 0.18 -0.55 8.42 8.11 3hvdE1 LYS 387 HA 0.01 0.18 0.48 -0.75 4.32 4.23 3hvdE1 LYS 387 HB2 0.01 -0.06 0.09 -0.04 1.87 1.87 3hvdE1 LYS 387 HB3 0.01 0.05 0.02 -0.04 1.79 1.82 3hvdE1 LYS 387 HG2 0.00 0.05 -0.03 -0.04 1.46 1.44 3hvdE1 LYS 387 HG3 0.00 -0.05 0.04 -0.04 1.46 1.42 3hvdE1 LYS 387 HD2 0.00 0.01 -0.01 -0.04 1.69 1.65 3hvdE1 LYS 387 HD3 0.00 -0.01 0.00 -0.04 1.68 1.63 3hvdE1 LYS 387 HE2 0.00 0.01 -0.01 -0.04 2.99 2.95 3hvdE1 LYS 387 HE3 0.00 0.02 -0.01 -0.04 2.99 2.96 3hvdE1 ASN 388 H 0.01 -0.16 0.04 -0.55 8.53 7.88 3hvdE1 ASN 388 HA 0.01 0.23 0.55 -0.75 4.76 4.79 3hvdE1 ASN 388 HB2 0.01 0.00 0.10 -0.04 2.88 2.95 3hvdE1 ASN 388 HB3 0.01 0.10 -0.20 -0.04 2.79 2.66 3hvdE1 ASN 388 HD21 0.01 -0.02 -0.06 -0.04 7.03 6.92 3hvdE1 ASN 388 HD22 0.01 0.04 -0.06 -0.04 7.74 7.69 3hvdE1 GLN 389 H 0.01 -0.02 0.10 -0.55 8.47 8.03 3hvdE1 GLN 389 HA 0.02 0.03 0.51 -0.75 4.36 4.16 3hvdE1 GLN 389 HB2 0.01 0.33 0.18 -0.04 2.15 2.63 3hvdE1 GLN 389 HB3 0.02 -0.03 0.04 -0.04 2.02 2.01 3hvdE1 GLN 389 HG2 0.02 0.03 0.02 -0.04 2.40 2.43 3hvdE1 GLN 389 HG3 0.02 -0.11 0.07 -0.04 2.39 2.32 3hvdE1 GLN 389 HE21 0.03 -0.03 -0.04 -0.04 6.97 6.88 3hvdE1 GLN 389 HE22 0.02 0.01 -0.01 -0.04 7.69 7.67 3hvdE1 THR 390 H 0.02 0.23 0.30 -0.55 8.28 8.27 3hvdE1 THR 390 HA 0.02 0.08 0.80 -0.75 4.39 4.54 3hvdE1 THR 390 HB 0.02 0.02 -0.01 -0.04 4.32 4.31 3hvdE1 THR 390 HG23 0.02 0.04 0.16 -0.04 1.22 1.40 3hvdE1 LEU 391 H 0.02 0.25 0.24 -0.55 8.37 8.33 3hvdE1 LEU 391 HA 0.02 0.07 0.51 -0.75 4.35 4.20 3hvdE1 LEU 391 HB2 0.01 -0.01 -0.03 -0.04 1.64 1.58 3hvdE1 LEU 391 HB3 0.02 0.06 0.02 -0.04 1.64 1.70 3hvdE1 LEU 391 HG 0.01 -0.05 0.01 -0.04 1.64 1.58 3hvdE1 LEU 391 HD13 0.01 0.00 -0.11 -0.04 0.93 0.79 3hvdE1 LEU 391 HD23 0.02 0.00 -0.09 -0.04 0.89 0.78 3hvdE1 ALA 392 H 0.02 0.38 0.16 -0.55 8.40 8.42 3hvdE1 ALA 392 HA 0.02 0.14 0.61 -0.75 4.34 4.36 3hvdE1 ALA 392 HB3 0.02 0.04 -0.03 -0.04 1.41 1.40 3hvdE1 THR 393 H 0.03 0.60 0.30 -0.55 8.28 8.67 3hvdE1 THR 393 HA 0.03 0.13 1.00 -0.75 4.39 4.81 3hvdE1 THR 393 HB 0.04 -0.00 -0.06 -0.04 4.32 4.25 3hvdE1 THR 393 HG23 0.03 0.01 -0.20 -0.04 1.22 1.01 3hvdE1 ILE 394 H 0.05 0.94 0.33 -0.55 8.25 9.03 3hvdE1 ILE 394 HA 0.06 0.09 0.83 -0.75 4.18 4.41 3hvdE1 ILE 394 HB 0.10 0.04 0.20 -0.04 1.89 2.20 3hvdE1 ILE 394 HG12 0.05 0.02 -0.13 -0.04 1.49 1.39 3hvdE1 ILE 394 HG13 0.04 -0.03 -0.11 -0.04 1.21 1.07 3hvdE1 ILE 394 HG23 0.14 0.05 -0.10 -0.04 0.93 0.98 3hvdE1 ILE 394 HD13 0.02 -0.01 -0.13 -0.04 0.88 0.72 3hvdE1 LYS 395 H 0.07 0.10 0.14 -0.55 8.42 8.17 3hvdE1 LYS 395 HA 0.06 -0.00 0.25 -0.75 4.32 3.87 3hvdE1 ALA 396 H 0.04 0.08 0.06 -0.55 8.40 8.04 3hvdE1 ALA 396 HA 0.04 0.42 0.73 -0.75 4.34 4.78 3hvdE1 ALA 396 HB3 0.03 -0.02 0.15 -0.04 1.41 1.53 3hvdE1 LYS 397 H 0.04 0.29 -0.25 -0.55 8.42 7.94 3hvdE1 LYS 397 HA 0.04 -0.03 0.30 -0.75 4.32 3.88 3hvdE1 GLU 398 H 0.03 0.15 0.17 -0.55 8.60 8.40 3hvdE1 GLU 398 HA 0.03 0.14 0.88 -0.75 4.29 4.58 3hvdE1 ASN 399 H 0.03 0.20 -0.08 -0.55 8.53 8.13 3hvdE1 ASN 399 HA 0.03 0.06 0.22 -0.75 4.76 4.32 3hvdE1 GLN 400 H 0.02 -0.01 -0.89 -0.55 8.47 7.05 3hvdE1 GLN 400 HA 0.03 0.13 0.58 -0.75 4.36 4.36 3hvdE1 LEU 401 H 0.00 0.18 -0.27 -0.55 8.37 7.74 3hvdE1 LEU 401 HA 0.03 0.04 0.67 -0.75 4.35 4.33 3hvdE1 SER 402 H 0.05 0.24 0.06 -0.55 8.46 8.26 3hvdE1 SER 402 HA 0.05 0.11 0.50 -0.75 4.49 4.39 3hvdE1 SER 402 HB2 0.05 -0.02 0.06 -0.04 3.95 4.00 3hvdE1 SER 402 HB3 0.05 -0.03 0.11 -0.04 3.93 4.01 3hvdE1 GLN 403 H 0.03 -0.05 -0.36 -0.55 8.47 7.54 3hvdE1 GLN 403 HA 0.04 0.14 0.73 -0.75 4.36 4.52 3hvdE1 GLN 403 HB2 0.18 -0.01 -0.02 -0.04 2.15 2.27 3hvdE1 GLN 403 HB3 0.13 -0.03 0.14 -0.04 2.02 2.21 3hvdE1 GLN 403 HG2 0.16 0.00 0.03 -0.04 2.40 2.55 3hvdE1 GLN 403 HG3 0.09 0.04 -0.03 -0.04 2.39 2.45 3hvdE1 GLN 403 HE21 0.08 0.01 -0.00 -0.04 6.97 7.01 3hvdE1 GLN 403 HE22 0.08 0.01 -0.01 -0.04 7.69 7.73 3hvdE1 ILE 404 H -0.02 0.14 0.15 -0.55 8.25 7.98 3hvdE1 ILE 404 HA -0.28 0.33 0.98 -0.75 4.18 4.46 3hvdE1 ILE 404 HB -0.10 -0.05 0.05 -0.04 1.89 1.75 3hvdE1 ILE 404 HG12 -0.07 -0.04 -0.10 -0.04 1.49 1.24 3hvdE1 ILE 404 HG13 -0.19 0.13 -0.21 -0.04 1.21 0.89 3hvdE1 ILE 404 HG23 -0.44 -0.01 -0.21 -0.04 0.93 0.23 3hvdE1 ILE 404 HD13 0.06 -0.06 -0.16 -0.04 0.88 0.68 3hvdE1 LEU 405 H -0.31 0.54 0.14 -0.55 8.37 8.19 3hvdE1 LEU 405 HA -0.09 0.19 0.86 -0.75 4.35 4.56 3hvdE1 LEU 405 HB2 -0.25 0.01 -0.12 -0.04 1.64 1.24 3hvdE1 LEU 405 HB3 -0.24 -0.06 0.13 -0.04 1.64 1.43 3hvdE1 LEU 405 HG -0.16 -0.05 -0.19 -0.04 1.64 1.20 3hvdE1 LEU 405 HD13 -0.01 0.03 -0.27 -0.04 0.93 0.64 3hvdE1 LEU 405 HD23 -0.10 -0.02 -0.23 -0.04 0.89 0.49 3hvdE1 ALA 406 H -0.09 0.16 -0.10 -0.55 8.40 7.83 3hvdE1 ALA 406 HA -0.12 0.05 0.49 -0.75 4.34 4.01 3hvdE1 ALA 406 HB3 -0.06 0.02 0.00 -0.04 1.41 1.34 3hvdE1 PRO 407 HA -0.11 -0.00 0.35 -0.51 4.44 4.17 3hvdE1 PRO 407 HB2 -0.06 0.01 -0.06 -0.04 2.28 2.13 3hvdE1 PRO 407 HB3 -0.10 0.45 -0.03 -0.04 2.02 2.29 3hvdE1 PRO 407 HG2 -0.07 0.13 -0.29 -0.04 2.03 1.76 3hvdE1 PRO 407 HG3 -0.12 -0.10 -0.48 -0.04 2.03 1.30 3hvdE1 PRO 407 HD2 -0.05 0.28 0.09 -0.04 3.68 3.95 3hvdE1 PRO 407 HD3 -0.08 -0.02 -0.20 -0.04 3.65 3.31 3hvdE1 ASN 408 H -0.08 0.60 0.41 -0.55 8.53 8.92 3hvdE1 ASN 408 HA -0.06 -0.02 0.39 -0.75 4.76 4.31 3hvdE1 ASN 408 HB2 -0.03 -0.02 -0.11 -0.04 2.88 2.68 3hvdE1 ASN 408 HB3 -0.01 0.15 0.11 -0.04 2.79 2.99 3hvdE1 ASN 408 HD21 0.02 -0.05 0.04 -0.04 7.03 7.01 3hvdE1 ASN 408 HD22 0.01 0.02 0.03 -0.04 7.74 7.76 3hvdE1 ASN 409 H -0.08 0.25 -0.10 -0.55 8.53 8.06 3hvdE1 ASN 409 HA 0.06 0.16 0.96 -0.75 4.76 5.18 3hvdE1 ASN 409 HB2 -0.03 0.33 -0.07 -0.04 2.88 3.07 3hvdE1 ASN 409 HB3 0.03 0.00 -0.03 -0.04 2.79 2.75 3hvdE1 ASN 409 HD21 0.01 -0.03 -0.03 -0.04 7.03 6.94 3hvdE1 ASN 409 HD22 -0.01 -0.14 -0.04 -0.04 7.74 7.50 3hvdE1 TYR 410 H 0.24 0.11 0.15 -0.55 8.29 8.24 3hvdE1 TYR 410 HA 0.04 0.30 0.97 -0.75 4.56 5.11 3hvdE1 TYR 410 HB2 0.01 -0.14 0.01 -0.04 3.06 2.89 3hvdE1 TYR 410 HB3 0.01 0.13 -0.15 -0.04 2.98 2.92 3hvdE1 TYR 410 HD2 -0.01 -0.01 -0.12 -0.04 7.15 6.97 3hvdE1 TYR 410 HE2 -0.00 0.01 -0.10 -0.04 6.85 6.71 3hvdE1 TYR 411 H 0.23 0.72 0.23 -0.55 8.29 8.92 3hvdE1 TYR 411 HA 0.07 0.01 0.68 -0.75 4.56 4.56 3hvdE1 TYR 411 HB2 0.01 0.06 -0.09 -0.04 3.06 3.00 3hvdE1 TYR 411 HB3 0.08 -0.04 0.10 -0.04 2.98 3.07 3hvdE1 TYR 411 HD2 0.05 -0.01 -0.06 -0.04 7.15 7.10 3hvdE1 TYR 411 HE2 0.01 -0.04 -0.08 -0.04 6.85 6.69 3hvdE1 PRO 412 HA -0.28 0.03 0.38 -0.51 4.44 4.05 3hvdE1 PRO 412 HB2 -0.16 0.25 -0.07 -0.04 2.28 2.25 3hvdE1 PRO 412 HB3 -0.29 -0.06 0.08 -0.04 2.02 1.70 3hvdE1 PRO 412 HG2 -0.24 0.19 -0.00 -0.04 2.03 1.94 3hvdE1 PRO 412 HG3 -0.78 -0.05 -0.03 -0.04 2.03 1.14 3hvdE1 PRO 412 HD2 -0.13 0.09 0.36 -0.04 3.68 3.95 3hvdE1 PRO 412 HD3 -0.21 0.10 0.29 -0.04 3.65 3.79 3hvdE1 SER 413 H -0.01 0.05 0.11 -0.55 8.46 8.06 3hvdE1 SER 413 HA 0.06 0.09 0.26 -0.75 4.49 4.15 3hvdE1 SER 413 HB2 -0.00 -0.05 -0.03 -0.04 3.95 3.83 3hvdE1 SER 413 HB3 0.01 0.01 0.04 -0.04 3.93 3.96 3hvdE1 LYS 414 H -0.04 0.14 0.09 -0.55 8.42 8.06 3hvdE1 LYS 414 HA -0.11 0.21 0.56 -0.75 4.32 4.22 3hvdE1 LYS 414 HB2 -0.11 -0.01 0.22 -0.04 1.87 1.93 3hvdE1 LYS 414 HB3 -0.17 0.03 0.16 -0.04 1.79 1.78 3hvdE1 LYS 414 HG2 -0.22 -0.09 0.08 -0.04 1.46 1.18 3hvdE1 LYS 414 HG3 -0.35 0.02 0.06 -0.04 1.46 1.15 3hvdE1 LYS 414 HD2 -0.38 0.08 -0.06 -0.04 1.69 1.29 3hvdE1 LYS 414 HD3 -1.54 -0.01 -0.05 -0.04 1.68 0.04 3hvdE1 LYS 414 HE2 -0.43 -0.00 0.00 -0.04 2.99 2.52 3hvdE1 LYS 414 HE3 -0.25 -0.00 0.02 -0.04 2.99 2.71 3hvdE1 ASN 415 H -0.05 0.13 -0.34 -0.55 8.53 7.74 3hvdE1 ASN 415 HA -0.04 0.06 0.23 -0.75 4.76 4.26 3hvdE1 ASN 415 HB2 -0.02 -0.04 0.16 -0.04 2.88 2.94 3hvdE1 ASN 415 HB3 -0.03 0.19 0.05 -0.04 2.79 2.96 3hvdE1 ASN 415 HD21 -0.00 -0.03 -0.08 -0.04 7.03 6.88 3hvdE1 ASN 415 HD22 -0.01 0.01 -0.04 -0.04 7.74 7.67 3hvdE1 LEU 416 H -0.05 0.29 0.17 -0.55 8.37 8.23 3hvdE1 LEU 416 HA -0.03 0.09 0.70 -0.75 4.35 4.35 3hvdE1 LEU 416 HB2 -0.06 0.09 -0.00 -0.04 1.64 1.62 3hvdE1 LEU 416 HB3 -0.05 0.02 0.08 -0.04 1.64 1.65 3hvdE1 LEU 416 HG -0.02 -0.11 -0.24 -0.04 1.64 1.23 3hvdE1 LEU 416 HD13 -0.03 -0.03 0.01 -0.04 0.93 0.85 3hvdE1 LEU 416 HD23 -0.02 0.09 0.04 -0.04 0.89 0.96 3hvdE1 ALA 417 H -0.04 0.03 0.09 -0.55 8.40 7.94 3hvdE1 ALA 417 HA -0.04 0.04 0.37 -0.75 4.34 3.96 3hvdE1 ALA 417 HB3 -0.03 -0.01 0.09 -0.04 1.41 1.42 3hvdE1 PRO 418 HA -0.06 0.16 0.52 -0.51 4.44 4.55 3hvdE1 PRO 418 HB2 -0.04 0.02 -0.03 -0.04 2.28 2.19 3hvdE1 PRO 418 HB3 -0.04 0.03 -0.01 -0.04 2.02 1.96 3hvdE1 PRO 418 HG2 -0.04 -0.01 0.01 -0.04 2.03 1.95 3hvdE1 PRO 418 HG3 -0.05 0.08 0.02 -0.04 2.03 2.04 3hvdE1 PRO 418 HD2 -0.03 0.05 0.12 -0.04 3.68 3.77 3hvdE1 PRO 418 HD3 -0.04 0.09 0.18 -0.04 3.65 3.84 3hvdE1 ILE 419 H -0.04 0.66 0.38 -0.55 8.25 8.70 3hvdE1 ILE 419 HA -0.01 0.11 0.88 -0.75 4.18 4.40 3hvdE1 ILE 419 HB 0.01 0.06 0.11 -0.04 1.89 2.04 3hvdE1 ILE 419 HG12 -0.02 0.00 -0.02 -0.04 1.49 1.41 3hvdE1 ILE 419 HG13 -0.02 0.07 0.14 -0.04 1.21 1.36 3hvdE1 ILE 419 HG23 0.07 0.01 -0.07 -0.04 0.93 0.90 3hvdE1 ILE 419 HD13 0.27 -0.02 -0.05 -0.04 0.88 1.04 3hvdE1 ALA 420 H 0.00 0.11 0.15 -0.55 8.40 8.12 3hvdE1 ALA 420 HA -0.01 0.20 0.70 -0.75 4.34 4.48 3hvdE1 ALA 420 HB3 -0.01 0.00 0.02 -0.04 1.41 1.38 3hvdE1 LEU 421 H -0.01 0.66 0.28 -0.55 8.37 8.75 3hvdE1 LEU 421 HA 0.00 0.13 0.84 -0.75 4.35 4.57 3hvdE1 LEU 421 HB2 -0.02 0.17 0.09 -0.04 1.64 1.84 3hvdE1 LEU 421 HB3 -0.01 -0.07 0.10 -0.04 1.64 1.62 3hvdE1 LEU 421 HG -0.01 0.04 -0.17 -0.04 1.64 1.46 3hvdE1 LEU 421 HD13 -0.03 -0.02 -0.22 -0.04 0.93 0.62 3hvdE1 LEU 421 HD23 0.01 0.01 -0.16 -0.04 0.89 0.70 3hvdE1 ASN 422 H 0.01 0.14 -0.03 -0.55 8.53 8.11 3hvdE1 ASN 422 HA -0.00 0.26 0.98 -0.75 4.76 5.24 3hvdE1 ASN 422 HB2 -0.00 -0.07 0.09 -0.04 2.88 2.86 3hvdE1 ASN 422 HB3 -0.01 0.00 -0.05 -0.04 2.79 2.69 3hvdE1 ASN 422 HD21 -0.01 0.00 -0.10 -0.04 7.03 6.89 3hvdE1 ASN 422 HD22 -0.01 0.00 -0.06 -0.04 7.74 7.64 3hvdE1 ALA 423 H 0.00 0.06 0.08 -0.55 8.40 8.00 3hvdE1 ALA 423 HA 0.01 0.09 0.31 -0.75 4.34 4.00 3hvdE1 ALA 423 HB3 0.01 0.01 0.06 -0.04 1.41 1.44 3hvdE1 GLN 424 H 0.02 0.74 0.28 -0.55 8.47 8.96 3hvdE1 GLN 424 HA 0.02 0.06 0.57 -0.75 4.36 4.26 3hvdE1 GLN 424 HB2 0.02 0.01 0.14 -0.04 2.15 2.28 3hvdE1 GLN 424 HB3 0.02 0.03 0.17 -0.04 2.02 2.20 3hvdE1 GLN 424 HG2 0.03 -0.12 -0.12 -0.04 2.40 2.14 3hvdE1 GLN 424 HG3 0.02 0.23 0.30 -0.04 2.39 2.90 3hvdE1 GLN 424 HE21 0.02 -0.06 0.02 -0.04 6.97 6.91 3hvdE1 GLN 424 HE22 0.02 -0.03 -0.03 -0.04 7.69 7.61 3hvdE1 ASP 425 H 0.03 0.13 0.03 -0.55 8.40 8.05 3hvdE1 ASP 425 HA 0.05 0.30 0.99 -0.75 4.63 5.22 3hvdE1 ASP 426 H 0.08 0.13 0.17 -0.55 8.40 8.23 3hvdE1 ASP 426 HA 0.07 0.18 0.34 -0.75 4.63 4.46 3hvdE1 PHE 427 H 0.16 -0.12 -0.34 -0.55 8.34 7.48 3hvdE1 PHE 427 HA 0.02 0.26 0.94 -0.75 4.62 5.09 3hvdE1 PHE 427 HB2 0.02 -0.00 -0.18 -0.04 3.15 2.94 3hvdE1 PHE 427 HB3 0.01 -0.08 0.03 -0.04 3.06 2.98 3hvdE1 PHE 427 HD2 0.01 0.00 -0.11 -0.04 7.28 7.14 3hvdE1 PHE 427 HE2 0.01 -0.00 -0.02 -0.04 7.38 7.33 3hvdE1 PHE 427 HZ 0.01 -0.00 -0.01 -0.04 7.32 7.28 3hvdE1 SER 428 H 0.18 -0.05 0.07 -0.55 8.46 8.12 3hvdE1 SER 428 HA 0.07 0.10 0.51 -0.75 4.49 4.42 3hvdE1 SER 428 HB2 0.06 0.05 0.06 -0.04 3.95 4.09 3hvdE1 SER 428 HB3 0.12 0.02 0.12 -0.04 3.93 4.15 3hvdE1 SER 429 H -0.01 0.14 0.13 -0.55 8.46 8.17 3hvdE1 SER 429 HA -0.03 0.17 0.50 -0.75 4.49 4.38 3hvdE1 SER 429 HB2 -0.02 0.02 0.21 -0.04 3.95 4.11 3hvdE1 SER 429 HB3 -0.06 0.06 0.09 -0.04 3.93 3.98 3hvdE1 THR 430 H 0.01 0.29 -0.65 -0.55 8.28 7.38 3hvdE1 THR 430 HA 0.01 0.22 0.82 -0.75 4.39 4.68 3hvdE1 THR 430 HB 0.02 0.09 0.04 -0.04 4.32 4.43 3hvdE1 THR 430 HG23 0.02 -0.03 -0.09 -0.04 1.22 1.08 3hvdE1 PRO 431 HA 0.00 0.22 0.33 -0.51 4.44 4.48 3hvdE1 PRO 431 HB2 0.00 -0.03 -0.12 -0.04 2.28 2.09 3hvdE1 PRO 431 HB3 0.00 0.09 0.04 -0.04 2.02 2.11 3hvdE1 PRO 431 HG2 0.00 -0.00 0.04 -0.04 2.03 2.03 3hvdE1 PRO 431 HG3 -0.00 0.06 0.03 -0.04 2.03 2.08 3hvdE1 PRO 431 HD2 0.01 0.03 0.21 -0.04 3.68 3.89 3hvdE1 PRO 431 HD3 0.00 0.46 0.38 -0.04 3.65 4.45 3hvdE1 ILE 432 H 0.01 0.45 0.25 -0.55 8.25 8.40 3hvdE1 ILE 432 HA 0.02 0.07 0.67 -0.75 4.18 4.18 3hvdE1 ILE 432 HB 0.01 -0.03 0.25 -0.04 1.89 2.07 3hvdE1 ILE 432 HG12 0.01 -0.07 -0.26 -0.04 1.49 1.14 3hvdE1 ILE 432 HG13 0.01 0.38 -0.05 -0.04 1.21 1.50 3hvdE1 ILE 432 HG23 0.01 0.06 -0.12 -0.04 0.93 0.84 3hvdE1 ILE 432 HD13 0.01 -0.01 -0.27 -0.04 0.88 0.56 3hvdE1 THR 433 H 0.02 0.15 0.28 -0.55 8.28 8.18 3hvdE1 THR 433 HA 0.02 0.23 0.59 -0.75 4.39 4.48 3hvdE1 THR 433 HB 0.03 -0.06 -0.04 -0.04 4.32 4.21 3hvdE1 THR 433 HG23 0.02 -0.08 -0.07 -0.04 1.22 1.06 3hvdE1 MET 434 H 0.04 0.12 0.09 -0.55 8.47 8.17 3hvdE1 MET 434 HA 0.05 0.01 0.70 -0.75 4.52 4.52 3hvdE1 MET 434 HB2 0.06 0.14 -0.46 -0.04 2.15 1.85 3hvdE1 MET 434 HB3 0.12 -0.09 0.10 -0.04 2.03 2.13 3hvdE1 MET 434 HG2 0.09 -0.11 -0.10 -0.04 2.63 2.46 3hvdE1 MET 434 HG3 0.05 0.05 -0.00 -0.04 2.56 2.61 3hvdE1 MET 434 HE3 0.04 0.02 -0.23 -0.04 2.10 1.89 3hvdE1 ASN 435 H 0.06 0.11 0.14 -0.55 8.53 8.30 3hvdE1 ASN 435 HA 0.08 0.25 0.55 -0.75 4.76 4.89 3hvdE1 ASN 435 HB2 0.08 0.06 0.23 -0.04 2.88 3.21 3hvdE1 ASN 435 HB3 0.06 0.06 0.16 -0.04 2.79 3.03 3hvdE1 ASN 435 HD21 0.05 0.01 0.01 -0.04 7.03 7.06 3hvdE1 ASN 435 HD22 0.05 0.09 0.05 -0.04 7.74 7.88 3hvdE1 TYR 436 H 0.19 0.28 0.23 -0.55 8.29 8.44 3hvdE1 TYR 436 HA 0.06 0.11 0.26 -0.75 4.56 4.23 3hvdE1 TYR 436 HB2 0.01 0.18 0.12 -0.04 3.06 3.32 3hvdE1 TYR 436 HB3 0.03 -0.06 0.23 -0.04 2.98 3.14 3hvdE1 TYR 436 HD2 0.01 0.01 -0.23 -0.04 7.15 6.89 3hvdE1 TYR 436 HE2 0.02 0.11 -0.12 -0.04 6.85 6.82 3hvdE1 ASN 437 H 0.23 0.14 0.03 -0.55 8.53 8.38 3hvdE1 ASN 437 HA 0.10 0.08 0.36 -0.75 4.76 4.55 3hvdE1 ASN 437 HB2 0.09 -0.04 0.06 -0.04 2.88 2.95 3hvdE1 ASN 437 HB3 0.07 0.04 0.00 -0.04 2.79 2.87 3hvdE1 ASN 437 HD21 0.09 0.04 0.05 -0.04 7.03 7.17 3hvdE1 ASN 437 HD22 0.08 -0.00 0.05 -0.04 7.74 7.82 3hvdE1 GLN 438 H 0.08 0.05 -0.49 -0.55 8.47 7.56 3hvdE1 GLN 438 HA 0.03 0.02 0.42 -0.75 4.36 4.09 3hvdE1 GLN 438 HB2 0.07 0.12 0.02 -0.04 2.15 2.32 3hvdE1 GLN 438 HB3 0.05 0.06 -0.07 -0.04 2.02 2.02 3hvdE1 GLN 438 HG2 0.03 0.02 -0.00 -0.04 2.40 2.41 3hvdE1 GLN 438 HG3 0.05 -0.07 -0.01 -0.04 2.39 2.31 3hvdE1 GLN 438 HE21 0.03 0.07 -0.02 -0.04 6.97 7.02 3hvdE1 GLN 438 HE22 0.03 -0.02 -0.02 -0.04 7.69 7.64 3hvdE1 PHE 439 H 0.15 0.60 -0.06 -0.55 8.34 8.48 3hvdE1 PHE 439 HA 0.00 -0.00 0.29 -0.75 4.62 4.15 3hvdE1 PHE 439 HB2 -0.04 0.05 0.04 -0.04 3.15 3.16 3hvdE1 PHE 439 HB3 -0.15 0.09 0.06 -0.04 3.06 3.02 3hvdE1 PHE 439 HD2 -0.06 0.01 -0.24 -0.04 7.28 6.95 3hvdE1 PHE 439 HE2 0.02 -0.07 -0.16 -0.04 7.38 7.13 3hvdE1 PHE 439 HZ -0.05 0.02 -0.20 -0.04 7.32 7.05 3hvdE1 LEU 440 H -0.01 0.45 -0.38 -0.55 8.37 7.89 3hvdE1 LEU 440 HA 0.04 0.02 0.48 -0.75 4.35 4.14 3hvdE1 LEU 440 HB2 -0.05 0.13 0.15 -0.04 1.64 1.84 3hvdE1 LEU 440 HB3 -0.01 -0.01 -0.04 -0.04 1.64 1.54 3hvdE1 LEU 440 HG -0.57 0.05 -0.06 -0.04 1.64 1.02 3hvdE1 LEU 440 HD13 0.09 -0.01 -0.04 -0.04 0.93 0.93 3hvdE1 LEU 440 HD23 0.01 -0.00 -0.02 -0.04 0.89 0.84 3hvdE1 GLU 441 H -0.00 0.52 0.06 -0.55 8.60 8.63 3hvdE1 GLU 441 HA -0.02 0.00 0.44 -0.75 4.29 3.96 3hvdE1 GLU 441 HB2 0.01 0.02 0.18 -0.04 2.09 2.25 3hvdE1 GLU 441 HB3 -0.00 0.11 0.20 -0.04 1.99 2.26 3hvdE1 GLU 441 HG2 -0.01 -0.00 -0.12 -0.04 2.34 2.18 3hvdE1 GLU 441 HG3 -0.00 -0.00 0.06 -0.04 2.34 2.35 3hvdE1 LEU 442 H -0.05 0.57 -0.19 -0.55 8.37 8.15 3hvdE1 LEU 442 HA -0.01 -0.02 0.44 -0.75 4.35 4.01 3hvdE1 LEU 442 HB2 -0.05 -0.06 0.02 -0.04 1.64 1.50 3hvdE1 LEU 442 HB3 -0.19 0.14 0.08 -0.04 1.64 1.62 3hvdE1 LEU 442 HG 0.09 0.07 -0.39 -0.04 1.64 1.37 3hvdE1 LEU 442 HD13 0.04 -0.04 -0.07 -0.04 0.93 0.83 3hvdE1 LEU 442 HD23 -0.21 -0.00 -0.12 -0.04 0.89 0.52 3hvdE1 GLU 443 H -0.11 0.47 -0.15 -0.55 8.60 8.27 3hvdE1 GLU 443 HA -0.06 0.03 0.46 -0.75 4.29 3.96 3hvdE1 GLU 443 HB2 0.04 0.02 0.15 -0.04 2.09 2.25 3hvdE1 GLU 443 HB3 -0.01 0.09 0.17 -0.04 1.99 2.19 3hvdE1 GLU 443 HG2 -0.30 0.11 0.03 -0.04 2.34 2.13 3hvdE1 GLU 443 HG3 -0.08 -0.05 0.10 -0.04 2.34 2.27 3hvdE1 LYS 444 H -0.06 0.42 -0.28 -0.55 8.42 7.93 3hvdE1 LYS 444 HA -0.12 0.05 0.38 -0.75 4.32 3.89 3hvdE1 LYS 444 HB2 -0.05 -0.03 0.06 -0.04 1.87 1.80 3hvdE1 LYS 444 HB3 -0.04 0.09 0.15 -0.04 1.79 1.94 3hvdE1 LYS 444 HG2 -0.06 0.03 -0.06 -0.04 1.46 1.33 3hvdE1 LYS 444 HG3 -0.06 -0.03 0.02 -0.04 1.46 1.35 3hvdE1 LYS 444 HD2 -0.03 -0.01 -0.04 -0.04 1.69 1.57 3hvdE1 LYS 444 HD3 -0.03 -0.04 -0.03 -0.04 1.68 1.54 3hvdE1 LYS 444 HE2 -0.02 -0.01 -0.03 -0.04 2.99 2.89 3hvdE1 LYS 444 HE3 -0.02 0.04 -0.04 -0.04 2.99 2.93 3hvdE1 THR 445 H -0.05 0.23 -0.08 -0.55 8.28 7.83 3hvdE1 THR 445 HA -0.05 0.16 0.81 -0.75 4.39 4.55 3hvdE1 THR 445 HB -0.02 -0.02 0.05 -0.04 4.32 4.29 3hvdE1 THR 445 HG23 -0.02 0.01 -0.03 -0.04 1.22 1.14 3hvdE1 LYS 446 H -0.02 0.55 0.09 -0.55 8.42 8.48 3hvdE1 LYS 446 HA 0.12 0.04 0.35 -0.75 4.32 4.08 3hvdE1 LYS 446 HB2 -0.05 0.10 -0.26 -0.04 1.87 1.62 3hvdE1 LYS 446 HB3 0.06 -0.01 0.21 -0.04 1.79 2.02 3hvdE1 LYS 446 HG2 -0.41 -0.11 0.03 -0.04 1.46 0.94 3hvdE1 LYS 446 HG3 -0.33 0.21 -0.12 -0.04 1.46 1.18 3hvdE1 LYS 446 HD2 -0.18 -0.04 -0.03 -0.04 1.69 1.40 3hvdE1 LYS 446 HD3 -0.12 0.06 -0.13 -0.04 1.68 1.45 3hvdE1 LYS 446 HE2 -0.43 -0.00 0.10 -0.04 2.99 2.61 3hvdE1 LYS 446 HE3 -1.76 -0.12 0.03 -0.04 2.99 1.10 3hvdE1 GLN 447 H 0.03 0.12 -0.11 -0.55 8.47 7.95 3hvdE1 GLN 447 HA 0.04 -0.01 0.43 -0.75 4.36 4.07 3hvdE1 GLN 447 HB2 0.02 0.35 0.28 -0.04 2.15 2.76 3hvdE1 GLN 447 HB3 0.02 0.14 0.00 -0.04 2.02 2.15 3hvdE1 GLN 447 HG2 0.00 0.04 -0.16 -0.04 2.40 2.24 3hvdE1 GLN 447 HG3 0.01 -0.11 -0.18 -0.04 2.39 2.07 3hvdE1 GLN 447 HE21 0.01 -0.07 -0.07 -0.04 6.97 6.80 3hvdE1 GLN 447 HE22 0.00 -0.07 -0.07 -0.04 7.69 7.50 3hvdE1 LEU 448 H 0.02 0.28 0.19 -0.55 8.37 8.31 3hvdE1 LEU 448 HA 0.01 0.19 0.98 -0.75 4.35 4.77 3hvdE1 LEU 448 HB2 0.01 -0.05 -0.09 -0.04 1.64 1.47 3hvdE1 LEU 448 HB3 0.01 0.03 0.03 -0.04 1.64 1.66 3hvdE1 LEU 448 HG 0.02 -0.08 -0.39 -0.04 1.64 1.16 3hvdE1 LEU 448 HD13 -0.00 -0.00 -0.18 -0.04 0.93 0.71 3hvdE1 LEU 448 HD23 0.00 0.05 -0.13 -0.04 0.89 0.78 3hvdE1 ARG 449 H 0.01 0.66 0.38 -0.55 8.46 8.96 3hvdE1 ARG 449 HA 0.02 0.20 1.08 -0.75 4.34 4.89 3hvdE1 ARG 449 HB2 0.01 0.00 -0.00 -0.04 1.90 1.87 3hvdE1 ARG 449 HB3 0.01 0.01 0.11 -0.04 1.80 1.89 3hvdE1 ARG 449 HG2 0.02 -0.08 -0.17 -0.04 1.67 1.40 3hvdE1 ARG 449 HG3 0.02 0.18 0.11 -0.04 1.67 1.94 3hvdE1 ARG 449 HD2 0.01 -0.02 -0.07 -0.04 3.22 3.10 3hvdE1 ARG 449 HD3 0.01 -0.01 -0.06 -0.04 3.22 3.13 3hvdE1 LEU 450 H 0.03 0.49 0.13 -0.55 8.37 8.46 3hvdE1 LEU 450 HA 0.02 0.27 0.95 -0.75 4.35 4.84 3hvdE1 LEU 450 HB2 0.02 -0.03 0.04 -0.04 1.64 1.64 3hvdE1 LEU 450 HB3 0.01 -0.01 -0.07 -0.04 1.64 1.53 3hvdE1 LEU 450 HG 0.00 -0.04 -0.43 -0.04 1.64 1.12 3hvdE1 LEU 450 HD13 -0.03 -0.01 -0.27 -0.04 0.93 0.58 3hvdE1 LEU 450 HD23 -0.01 0.02 -0.20 -0.04 0.89 0.66 3hvdE1 ASP 451 H 0.03 0.48 0.18 -0.55 8.40 8.54 3hvdE1 ASP 451 HA 0.04 0.16 0.93 -0.75 4.63 5.01 3hvdE1 ASP 451 HB2 0.03 -0.04 0.15 -0.04 2.71 2.80 3hvdE1 ASP 451 HB3 0.03 0.06 -0.01 -0.04 2.70 2.73 3hvdE1 THR 452 H 0.06 0.87 0.45 -0.55 8.28 9.12 3hvdE1 THR 452 HA 0.07 0.17 1.12 -0.75 4.39 5.00 3hvdE1 THR 452 HB 0.13 0.10 0.13 -0.04 4.32 4.63 3hvdE1 THR 452 HG23 0.17 0.07 -0.12 -0.04 1.22 1.30 3hvdE1 ASP 453 H 0.05 0.50 0.26 -0.55 8.40 8.66 3hvdE1 ASP 453 HA 0.00 0.22 0.87 -0.75 4.63 4.97 3hvdE1 ASP 453 HB2 -0.03 -0.09 0.20 -0.04 2.71 2.75 3hvdE1 ASP 453 HB3 0.00 0.05 0.07 -0.04 2.70 2.78 3hvdE1 GLN 454 H -0.11 0.15 0.13 -0.55 8.47 8.09 3hvdE1 GLN 454 HA -0.70 0.25 0.72 -0.75 4.36 3.87 3hvdE1 GLN 454 HB2 -0.13 0.01 0.12 -0.04 2.15 2.10 3hvdE1 GLN 454 HB3 -0.29 -0.02 0.21 -0.04 2.02 1.88 3hvdE1 GLN 454 HG2 0.01 0.03 -0.01 -0.04 2.40 2.40 3hvdE1 GLN 454 HG3 -0.02 -0.03 -0.09 -0.04 2.39 2.21 3hvdE1 GLN 454 HE21 0.06 0.03 -0.03 -0.04 6.97 6.99 3hvdE1 GLN 454 HE22 0.14 0.00 -0.01 -0.04 7.69 7.77 3hvdE1 VAL 455 H -0.20 0.09 -0.33 -0.55 8.24 7.25 3hvdE1 VAL 455 HA -0.12 0.14 0.65 -0.75 4.13 4.04 3hvdE1 VAL 455 HB -0.05 -0.02 0.08 -0.04 2.12 2.09 3hvdE1 VAL 455 HG13 -0.02 0.01 0.11 -0.04 0.97 1.03 3hvdE1 VAL 455 HG23 0.01 0.01 -0.02 -0.04 0.95 0.91 3hvdE1 TYR 456 H -0.28 0.40 0.01 -0.55 8.29 7.86 3hvdE1 TYR 456 HA 0.01 0.15 0.54 -0.75 4.56 4.50 3hvdE1 TYR 456 HB2 0.02 0.01 0.02 -0.04 3.06 3.06 3hvdE1 TYR 456 HB3 -0.08 -0.11 0.12 -0.04 2.98 2.87 3hvdE1 TYR 456 HD2 -0.18 0.02 -0.14 -0.04 7.15 6.80 3hvdE1 TYR 456 HE2 -0.05 0.14 -0.04 -0.04 6.85 6.87 3hvdE1 GLY 457 H 0.31 0.07 0.12 -0.55 8.43 8.38 3hvdE1 GLY 457 HA2 0.16 0.17 0.30 -0.51 4.01 4.12 3hvdE1 GLY 457 HA3 0.20 -0.26 0.53 -0.51 4.01 3.97 3hvdE1 ASN 458 H 0.13 -0.02 0.21 -0.55 8.53 8.31 3hvdE1 ASN 458 HA 0.02 0.19 0.98 -0.75 4.76 5.19 3hvdE1 ASN 458 HB2 0.02 -0.13 -0.03 -0.04 2.88 2.70 3hvdE1 ASN 458 HB3 -0.03 0.45 0.22 -0.04 2.79 3.39 3hvdE1 ASN 458 HD21 0.01 0.02 -0.11 -0.04 7.03 6.91 3hvdE1 ASN 458 HD22 0.01 0.05 -0.11 -0.04 7.74 7.65 3hvdE1 ILE 459 H -0.13 0.55 0.33 -0.55 8.25 8.45 3hvdE1 ILE 459 HA 0.06 0.18 0.87 -0.75 4.18 4.54 3hvdE1 ILE 459 HB -0.37 -0.03 0.01 -0.04 1.89 1.46 3hvdE1 ILE 459 HG12 -1.99 0.06 -0.23 -0.04 1.49 -0.70 3hvdE1 ILE 459 HG13 -0.59 -0.01 -0.29 -0.04 1.21 0.29 3hvdE1 ILE 459 HG23 -0.39 0.06 -0.09 -0.04 0.93 0.47 3hvdE1 ILE 459 HD13 -1.01 -0.02 -0.26 -0.04 0.88 -0.45 3hvdE1 ALA 460 H 0.09 0.22 0.11 -0.55 8.40 8.28 3hvdE1 ALA 460 HA -0.17 0.03 0.52 -0.75 4.34 3.97 3hvdE1 ALA 460 HB3 -0.33 0.02 -0.07 -0.04 1.41 0.99 3hvdE1 THR 461 H -0.04 0.60 0.31 -0.55 8.28 8.60 3hvdE1 THR 461 HA 0.12 0.19 0.89 -0.75 4.39 4.84 3hvdE1 THR 461 HB -0.02 -0.00 0.02 -0.04 4.32 4.28 3hvdE1 THR 461 HG23 -0.01 0.05 0.01 -0.04 1.22 1.23 3hvdE1 TYR 462 H 0.24 0.18 0.16 -0.55 8.29 8.32 3hvdE1 TYR 462 HA -0.03 0.18 0.62 -0.75 4.56 4.58 3hvdE1 TYR 462 HB2 -0.03 -0.08 -0.14 -0.04 3.06 2.77 3hvdE1 TYR 462 HB3 -0.09 0.04 0.04 -0.04 2.98 2.93 3hvdE1 TYR 462 HD2 -0.49 -0.05 -0.39 -0.04 7.15 6.17 3hvdE1 TYR 462 HE2 -0.40 0.04 -0.14 -0.04 6.85 6.31 3hvdE1 ASN 463 H -0.50 0.49 0.05 -0.55 8.53 8.03 3hvdE1 ASN 463 HA 0.01 0.16 0.88 -0.75 4.76 5.06 3hvdE1 ASN 463 HB2 -0.11 0.18 0.12 -0.04 2.88 3.03 3hvdE1 ASN 463 HB3 -0.18 -0.25 0.27 -0.04 2.79 2.59 3hvdE1 ASN 463 HD21 -0.01 0.04 0.01 -0.04 7.03 7.02 3hvdE1 ASN 463 HD22 -0.05 0.04 0.01 -0.04 7.74 7.71 3hvdE1 PHE 464 H 0.39 0.28 0.13 -0.55 8.34 8.58 3hvdE1 PHE 464 HA 0.25 0.11 0.24 -0.75 4.62 4.46 3hvdE1 PHE 464 HB2 0.09 -0.03 0.10 -0.04 3.15 3.27 3hvdE1 PHE 464 HB3 0.11 0.06 0.01 -0.04 3.06 3.20 3hvdE1 PHE 464 HD2 0.19 0.00 0.05 -0.04 7.28 7.49 3hvdE1 PHE 464 HE2 0.27 0.02 0.00 -0.04 7.38 7.63 3hvdE1 PHE 464 HZ 0.22 -0.02 -0.01 -0.04 7.32 7.46 3hvdE1 GLU 465 H 0.08 -0.02 -0.45 -0.55 8.60 7.66 3hvdE1 GLU 465 HA 0.07 0.11 0.29 -0.75 4.29 4.01 3hvdE1 GLU 465 HB2 0.00 -0.04 0.03 -0.04 2.09 2.03 3hvdE1 GLU 465 HB3 0.02 0.05 0.03 -0.04 1.99 2.05 3hvdE1 GLU 465 HG2 0.06 -0.10 0.03 -0.04 2.34 2.29 3hvdE1 GLU 465 HG3 0.03 0.04 0.01 -0.04 2.34 2.38 3hvdE1 ASN 466 H -0.07 -0.01 -0.02 -0.55 8.53 7.88 3hvdE1 ASN 466 HA -0.01 0.26 0.81 -0.75 4.76 5.07 3hvdE1 ASN 466 HB2 -0.03 0.04 0.12 -0.04 2.88 2.97 3hvdE1 ASN 466 HB3 -0.02 0.03 -0.07 -0.04 2.79 2.69 3hvdE1 ASN 466 HD21 -0.04 -0.02 -0.04 -0.04 7.03 6.89 3hvdE1 ASN 466 HD22 -0.03 0.05 -0.03 -0.04 7.74 7.69 3hvdE1 GLY 467 H -0.24 0.45 0.11 -0.55 8.43 8.20 3hvdE1 GLY 467 HA2 -0.87 0.02 0.18 -0.51 4.01 2.83 3hvdE1 GLY 467 HA3 -0.14 0.14 0.44 -0.51 4.01 3.94 3hvdE1 ARG 468 H -0.25 -0.03 -0.04 -0.55 8.46 7.59 3hvdE1 ARG 468 HA -0.11 0.17 0.51 -0.75 4.34 4.16 3hvdE1 ARG 468 HB2 -0.08 0.06 -0.04 -0.04 1.90 1.80 3hvdE1 ARG 468 HB3 -0.10 -0.09 0.07 -0.04 1.80 1.63 3hvdE1 ARG 468 HG2 -0.06 -0.02 -0.46 -0.04 1.67 1.09 3hvdE1 ARG 468 HG3 -0.04 0.05 -0.07 -0.04 1.67 1.57 3hvdE1 ARG 468 HD2 -0.04 -0.05 -0.08 -0.04 3.22 3.00 3hvdE1 ARG 468 HD3 -0.03 0.02 -0.10 -0.04 3.22 3.08 3hvdE1 VAL 469 H -0.05 0.21 0.14 -0.55 8.24 7.99 3hvdE1 VAL 469 HA -0.03 0.32 0.81 -0.75 4.13 4.48 3hvdE1 VAL 469 HB 0.03 0.00 0.18 -0.04 2.12 2.29 3hvdE1 VAL 469 HG13 0.03 -0.02 -0.23 -0.04 0.97 0.71 3hvdE1 VAL 469 HG23 0.11 0.00 -0.12 -0.04 0.95 0.90 3hvdE1 ARG 470 H -0.06 0.51 0.22 -0.55 8.46 8.59 3hvdE1 ARG 470 HA -0.08 0.17 0.85 -0.75 4.34 4.53 3hvdE1 ARG 470 HB2 -0.05 -0.02 -0.13 -0.04 1.90 1.65 3hvdE1 ARG 470 HB3 -0.05 -0.02 -0.02 -0.04 1.80 1.67 3hvdE1 ARG 470 HG2 -0.05 0.07 -0.13 -0.04 1.67 1.52 3hvdE1 ARG 470 HG3 -0.04 0.02 0.01 -0.04 1.67 1.62 3hvdE1 ARG 470 HD2 -0.03 -0.02 -0.07 -0.04 3.22 3.05 3hvdE1 ARG 470 HD3 -0.03 0.01 -0.04 -0.04 3.22 3.13 3hvdE1 VAL 471 H -0.12 0.18 0.10 -0.55 8.24 7.86 3hvdE1 VAL 471 HA -0.18 0.06 0.35 -0.75 4.13 3.60 3hvdE1 VAL 471 HB -0.07 -0.01 0.11 -0.04 2.12 2.11 3hvdE1 VAL 471 HG13 -0.06 -0.00 -0.32 -0.04 0.97 0.55 3hvdE1 VAL 471 HG23 -0.28 0.02 -0.02 -0.04 0.95 0.64 3hvdE1 ASP 472 H -0.09 0.58 0.48 -0.55 8.40 8.82 3hvdE1 ASP 472 HA -0.05 0.05 0.61 -0.75 4.63 4.48 3hvdE1 ASP 472 HB2 -0.05 0.07 0.20 -0.04 2.71 2.89 3hvdE1 ASP 472 HB3 -0.09 0.09 0.31 -0.04 2.70 2.97 3hvdE1 THR 473 H -0.04 0.20 0.22 -0.55 8.28 8.11 3hvdE1 THR 473 HA -0.03 0.11 0.47 -0.75 4.39 4.19 3hvdE1 THR 473 HB -0.02 0.02 0.13 -0.04 4.32 4.42 3hvdE1 THR 473 HG23 -0.01 0.02 0.01 -0.04 1.22 1.21 3hvdE1 GLY 474 H -0.06 -0.04 -0.39 -0.55 8.43 7.40 3hvdE1 GLY 474 HA2 -0.05 0.17 0.71 -0.51 4.01 4.34 3hvdE1 GLY 474 HA3 -0.06 0.00 0.26 -0.51 4.01 3.70 3hvdE1 SER 475 H -0.09 0.08 -0.07 -0.55 8.46 7.83 3hvdE1 SER 475 HA -0.12 0.17 0.79 -0.75 4.49 4.56 3hvdE1 SER 475 HB2 -0.25 0.04 -0.02 -0.04 3.95 3.68 3hvdE1 SER 475 HB3 -0.16 0.02 0.02 -0.04 3.93 3.78 3hvdE1 ASN 476 H -0.11 0.24 0.19 -0.55 8.53 8.31 3hvdE1 ASN 476 HA -0.08 0.21 1.10 -0.75 4.76 5.24 3hvdE1 ASN 476 HB2 -0.00 0.08 -0.16 -0.04 2.88 2.75 3hvdE1 ASN 476 HB3 -0.02 0.03 0.05 -0.04 2.79 2.82 3hvdE1 ASN 476 HD21 0.10 0.10 0.01 -0.04 7.03 7.20 3hvdE1 ASN 476 HD22 0.08 -0.05 -0.17 -0.04 7.74 7.55 3hvdE1 TRP 477 H 0.17 0.53 0.17 -0.55 7.97 8.30 3hvdE1 TRP 477 HA 0.07 0.03 0.34 -0.75 4.62 4.30 3hvdE1 TRP 477 HB2 0.16 0.08 0.05 -0.04 3.23 3.48 3hvdE1 TRP 477 HB3 0.20 0.03 0.10 -0.04 3.23 3.52 3hvdE1 TRP 477 HD1 0.16 0.02 -0.21 -0.04 7.22 7.15 3hvdE1 TRP 477 HE1 0.15 0.11 0.03 -0.04 10.20 10.44 3hvdE1 TRP 477 HE3 0.15 -0.09 0.10 -0.04 7.59 7.71 3hvdE1 TRP 477 HZ2 0.22 0.07 -0.03 -0.04 7.44 7.65 3hvdE1 TRP 477 HZ3 0.21 0.12 0.16 -0.04 7.13 7.57 3hvdE1 TRP 477 HH2 0.30 0.15 -0.04 -0.04 7.19 7.56 3hvdE1 SER 478 H 0.15 0.13 -0.48 -0.55 8.46 7.71 3hvdE1 SER 478 HA 0.09 0.13 0.51 -0.75 4.49 4.47 3hvdE1 SER 478 HB2 0.05 0.00 0.01 -0.04 3.95 3.96 3hvdE1 SER 478 HB3 0.03 0.01 0.13 -0.04 3.93 4.05 3hvdE1 GLU 479 H 0.05 0.50 -0.24 -0.55 8.60 8.36 3hvdE1 GLU 479 HA 0.01 0.18 0.86 -0.75 4.29 4.58 3hvdE1 GLU 479 HB2 -0.03 0.08 0.15 -0.04 2.09 2.25 3hvdE1 GLU 479 HB3 -0.03 -0.00 0.07 -0.04 1.99 1.99 3hvdE1 GLU 479 HG2 -0.01 0.02 0.02 -0.04 2.34 2.33 3hvdE1 GLU 479 HG3 -0.00 -0.08 -0.15 -0.04 2.34 2.07 3hvdE1 VAL 480 H 0.07 0.08 -0.05 -0.55 8.24 7.78 3hvdE1 VAL 480 HA 0.02 0.19 0.68 -0.75 4.13 4.26 3hvdE1 VAL 480 HB 0.14 -0.03 0.15 -0.04 2.12 2.34 3hvdE1 VAL 480 HG13 0.09 0.07 -0.11 -0.04 0.97 0.98 3hvdE1 VAL 480 HG23 -0.16 0.01 -0.10 -0.04 0.95 0.66 3hvdE1 LEU 481 H 0.20 0.49 0.17 -0.55 8.37 8.69 3hvdE1 LEU 481 HA 0.07 0.00 0.26 -0.75 4.35 3.93 3hvdE1 LEU 481 HB2 0.09 0.05 0.14 -0.04 1.64 1.88 3hvdE1 LEU 481 HB3 0.04 0.00 -0.02 -0.04 1.64 1.61 3hvdE1 LEU 481 HG 0.40 0.00 0.19 -0.04 1.64 2.19 3hvdE1 LEU 481 HD13 0.13 -0.01 0.04 -0.04 0.93 1.05 3hvdE1 LEU 481 HD23 0.11 -0.00 0.02 -0.04 0.89 0.98 3hvdE1 PRO 482 HA 0.00 0.05 0.32 -0.51 4.44 4.30 3hvdE1 PRO 482 HB2 0.01 0.05 -0.08 -0.04 2.28 2.22 3hvdE1 PRO 482 HB3 0.01 0.00 0.00 -0.04 2.02 1.99 3hvdE1 PRO 482 HG2 0.02 0.12 -0.06 -0.04 2.03 2.06 3hvdE1 PRO 482 HG3 0.02 0.01 -0.01 -0.04 2.03 2.00 3hvdE1 PRO 482 HD2 0.05 0.05 -0.83 -0.04 3.68 2.90 3hvdE1 PRO 482 HD3 0.05 0.07 -0.09 -0.04 3.65 3.65 3hvdE1 GLN 483 H 0.02 0.32 -0.30 -0.55 8.47 7.97 3hvdE1 GLN 483 HA 0.01 -0.01 0.42 -0.75 4.36 4.03 3hvdE1 GLN 483 HB2 0.03 0.17 0.17 -0.04 2.15 2.48 3hvdE1 GLN 483 HB3 0.02 -0.05 0.02 -0.04 2.02 1.98 3hvdE1 GLN 483 HG2 0.01 0.16 0.14 -0.04 2.40 2.67 3hvdE1 GLN 483 HG3 0.01 -0.03 0.07 -0.04 2.39 2.40 3hvdE1 GLN 483 HE21 0.00 -0.05 -0.05 -0.04 6.97 6.83 3hvdE1 GLN 483 HE22 0.00 0.13 0.01 -0.04 7.69 7.79 3hvdE1 ILE 484 H 0.02 0.40 -0.09 -0.55 8.25 8.02 3hvdE1 ILE 484 HA 0.00 0.16 0.35 -0.75 4.18 3.95 3hvdE1 ILE 484 HB -0.13 0.09 0.02 -0.04 1.89 1.82 3hvdE1 ILE 484 HG12 0.07 0.07 -0.23 -0.04 1.49 1.36 3hvdE1 ILE 484 HG13 0.06 0.13 -0.22 -0.04 1.21 1.14 3hvdE1 ILE 484 HG23 -0.18 -0.00 -0.18 -0.04 0.93 0.53 3hvdE1 ILE 484 HD13 0.15 -0.05 -0.18 -0.04 0.88 0.75 3hvdE1 GLN 485 H -0.04 0.55 -0.39 -0.55 8.47 8.05 3hvdE1 GLN 485 HA -0.05 0.01 0.26 -0.75 4.36 3.83 3hvdE1 GLN 485 HB2 -0.02 0.09 0.06 -0.04 2.15 2.24 3hvdE1 GLN 485 HB3 -0.01 -0.05 0.05 -0.04 2.02 1.96 3hvdE1 GLN 485 HG2 -0.05 -0.02 -0.05 -0.04 2.40 2.24 3hvdE1 GLN 485 HG3 -0.11 0.02 -0.06 -0.04 2.39 2.20 3hvdE1 GLN 485 HE21 0.01 -0.04 -0.07 -0.04 6.97 6.82 3hvdE1 GLN 485 HE22 -0.02 0.00 -0.07 -0.04 7.69 7.56 3hvdE1 GLU 486 H -0.00 0.50 -0.45 -0.55 8.60 8.10 3hvdE1 GLU 486 HA 0.00 0.13 0.91 -0.75 4.29 4.58 3hvdE1 GLU 486 HB2 0.01 0.07 0.09 -0.04 2.09 2.21 3hvdE1 GLU 486 HB3 0.01 -0.12 0.14 -0.04 1.99 1.98 3hvdE1 GLU 486 HG2 0.00 0.16 -0.12 -0.04 2.34 2.35 3hvdE1 GLU 486 HG3 0.00 -0.09 -0.03 -0.04 2.34 2.18 3hvdE1 THR 487 H 0.00 0.42 -0.11 -0.55 8.28 8.04 3hvdE1 THR 487 HA 0.01 0.12 0.99 -0.75 4.39 4.76 3hvdE1 THR 487 HB 0.02 -0.03 0.15 -0.04 4.32 4.41 3hvdE1 THR 487 HG23 0.02 0.02 -0.17 -0.04 1.22 1.04 3hvdE1 THR 488 H 0.00 0.20 0.04 -0.55 8.28 7.98 3hvdE1 THR 488 HA 0.01 0.12 1.06 -0.75 4.39 4.82 3hvdE1 THR 488 HB 0.02 -0.00 -0.12 -0.04 4.32 4.18 3hvdE1 THR 488 HG23 0.02 -0.02 -0.28 -0.04 1.22 0.89 3hvdE1 ALA 489 H 0.01 0.60 0.29 -0.55 8.40 8.76 3hvdE1 ALA 489 HA 0.02 0.05 0.98 -0.75 4.34 4.64 3hvdE1 ALA 489 HB3 0.01 0.05 0.04 -0.04 1.41 1.48 3hvdE1 ARG 490 H 0.05 0.93 0.33 -0.55 8.46 9.22 3hvdE1 ARG 490 HA 0.07 0.24 0.98 -0.75 4.34 4.87 3hvdE1 ARG 490 HB2 0.06 0.01 -0.04 -0.04 1.90 1.89 3hvdE1 ARG 490 HB3 0.07 0.04 0.21 -0.04 1.80 2.07 3hvdE1 ARG 490 HG2 0.06 -0.03 -0.32 -0.04 1.67 1.34 3hvdE1 ARG 490 HG3 0.09 0.01 -0.11 -0.04 1.67 1.61 3hvdE1 ARG 490 HD2 0.09 0.04 -0.03 -0.04 3.22 3.28 3hvdE1 ARG 490 HD3 0.08 -0.10 -0.07 -0.04 3.22 3.10 3hvdE1 ILE 491 H 0.11 0.76 0.35 -0.55 8.25 8.92 3hvdE1 ILE 491 HA 0.10 0.19 1.14 -0.75 4.18 4.87 3hvdE1 ILE 491 HB 0.32 0.01 0.05 -0.04 1.89 2.23 3hvdE1 ILE 491 HG12 0.13 -0.01 -0.23 -0.04 1.49 1.34 3hvdE1 ILE 491 HG13 0.10 0.01 -0.45 -0.04 1.21 0.82 3hvdE1 ILE 491 HG23 0.21 -0.02 -0.29 -0.04 0.93 0.79 3hvdE1 ILE 491 HD13 0.11 -0.01 -0.19 -0.04 0.88 0.75 3hvdE1 ILE 492 H -0.01 0.63 0.35 -0.55 8.25 8.67 3hvdE1 ILE 492 HA 0.03 0.35 1.04 -0.75 4.18 4.85 3hvdE1 ILE 492 HB -0.21 -0.11 0.13 -0.04 1.89 1.67 3hvdE1 ILE 492 HG12 -0.22 0.06 0.00 -0.04 1.49 1.29 3hvdE1 ILE 492 HG13 -0.82 0.01 -0.09 -0.04 1.21 0.26 3hvdE1 ILE 492 HG23 -0.18 -0.00 -0.24 -0.04 0.93 0.46 3hvdE1 ILE 492 HD13 -0.09 0.00 -0.29 -0.04 0.88 0.47 3hvdE1 PHE 493 H -0.05 0.80 0.32 -0.55 8.34 8.86 3hvdE1 PHE 493 HA -0.39 0.39 1.11 -0.75 4.62 4.98 3hvdE1 PHE 493 HB2 -1.05 0.01 -0.17 -0.04 3.15 1.89 3hvdE1 PHE 493 HB3 -1.84 0.08 0.11 -0.04 3.06 1.36 3hvdE1 PHE 493 HD2 -0.70 0.13 0.01 -0.04 7.28 6.68 3hvdE1 PHE 493 HE2 -1.37 0.04 -0.13 -0.04 7.38 5.88 3hvdE1 PHE 493 HZ -1.23 0.04 -0.11 -0.04 7.32 5.98 3hvdE1 ASN 494 H -0.52 0.43 0.21 -0.55 8.53 8.11 3hvdE1 ASN 494 HA -0.38 0.41 0.68 -0.75 4.76 4.71 3hvdE1 ASN 494 HB2 -0.19 0.12 -0.26 -0.04 2.88 2.50 3hvdE1 ASN 494 HB3 -0.23 0.01 -0.11 -0.04 2.79 2.41 3hvdE1 ASN 494 HD21 0.16 -0.08 0.01 -0.04 7.03 7.08 3hvdE1 ASN 494 HD22 0.07 0.18 -0.03 -0.04 7.74 7.92 3hvdE1 GLY 495 H -2.23 0.22 -0.49 -0.55 8.43 5.38 3hvdE1 GLY 495 HA2 -0.44 0.04 0.29 -0.51 4.01 3.38 3hvdE1 GLY 495 HA3 -1.37 0.05 0.21 -0.51 4.01 2.38 3hvdE1 LYS 496 H -0.36 0.15 -0.04 -0.55 8.42 7.62 3hvdE1 LYS 496 HA 0.18 0.08 0.21 -0.75 4.32 4.04 3hvdE1 LYS 496 HB2 0.09 0.05 0.13 -0.04 1.87 2.10 3hvdE1 LYS 496 HB3 -0.02 -0.06 0.15 -0.04 1.79 1.82 3hvdE1 LYS 496 HG2 0.05 -0.00 -0.16 -0.04 1.46 1.31 3hvdE1 LYS 496 HG3 0.13 -0.00 0.02 -0.04 1.46 1.57 3hvdE1 LYS 496 HD2 0.05 0.00 0.01 -0.04 1.69 1.72 3hvdE1 LYS 496 HD3 0.06 0.00 -0.00 -0.04 1.68 1.70 3hvdE1 LYS 496 HE2 0.16 -0.01 0.03 -0.04 2.99 3.13 3hvdE1 LYS 496 HE3 0.17 -0.01 0.05 -0.04 2.99 3.17 3hvdE1 ASP 497 H -0.11 0.05 -0.05 -0.55 8.40 7.75 3hvdE1 ASP 497 HA -0.03 0.22 0.77 -0.75 4.63 4.83 3hvdE1 ASP 497 HB2 -0.02 0.05 0.13 -0.04 2.71 2.83 3hvdE1 ASP 497 HB3 -0.01 0.04 -0.07 -0.04 2.70 2.63 3hvdE1 LEU 498 H -0.18 0.16 -0.27 -0.55 8.37 7.53 3hvdE1 LEU 498 HA -0.23 0.17 0.37 -0.75 4.35 3.91 3hvdE1 LEU 498 HB2 -0.23 -0.07 -0.44 -0.04 1.64 0.85 3hvdE1 LEU 498 HB3 -0.16 0.18 0.30 -0.04 1.64 1.92 3hvdE1 LEU 498 HG -0.31 -0.07 0.12 -0.04 1.64 1.34 3hvdE1 LEU 498 HD13 -1.08 -0.02 0.01 -0.04 0.93 -0.20 3hvdE1 LEU 498 HD23 -0.33 -0.00 -0.07 -0.04 0.89 0.45 3hvdE1 ASN 499 H -0.10 -0.07 -0.60 -0.55 8.53 7.21 3hvdE1 ASN 499 HA -0.07 0.17 0.72 -0.75 4.76 4.82 3hvdE1 ASN 499 HB2 -0.06 -0.07 -0.07 -0.04 2.88 2.64 3hvdE1 ASN 499 HB3 -0.06 0.03 0.01 -0.04 2.79 2.73 3hvdE1 ASN 499 HD21 0.02 0.05 0.02 -0.04 7.03 7.09 3hvdE1 ASN 499 HD22 -0.00 -0.02 0.00 -0.04 7.74 7.68 3hvdE1 LEU 500 H -0.08 0.22 0.12 -0.55 8.37 8.08 3hvdE1 LEU 500 HA -0.14 0.00 0.41 -0.75 4.35 3.87 3hvdE1 LEU 500 HB2 -0.07 0.08 0.10 -0.04 1.64 1.70 3hvdE1 LEU 500 HB3 -0.09 -0.02 -0.13 -0.04 1.64 1.36 3hvdE1 LEU 500 HG -0.04 0.06 0.08 -0.04 1.64 1.70 3hvdE1 LEU 500 HD13 0.01 0.01 -0.08 -0.04 0.93 0.82 3hvdE1 LEU 500 HD23 -0.12 0.00 -0.12 -0.04 0.89 0.61 3hvdE1 VAL 501 H -0.12 0.25 0.05 -0.55 8.24 7.88 3hvdE1 VAL 501 HA -0.02 0.17 0.85 -0.75 4.13 4.38 3hvdE1 VAL 501 HB 0.13 0.02 0.23 -0.04 2.12 2.45 3hvdE1 VAL 501 HG13 0.10 0.03 0.01 -0.04 0.97 1.07 3hvdE1 VAL 501 HG23 -0.06 0.01 0.03 -0.04 0.95 0.89 3hvdE1 GLU 502 H 0.01 0.25 0.18 -0.55 8.60 8.50 3hvdE1 GLU 502 HA 0.10 0.19 0.98 -0.75 4.29 4.81 3hvdE1 GLU 502 HB2 0.01 -0.01 -0.10 -0.04 2.09 1.94 3hvdE1 GLU 502 HB3 0.02 -0.00 0.07 -0.04 1.99 2.04 3hvdE1 GLU 502 HG2 0.14 -0.03 -0.42 -0.04 2.34 1.99 3hvdE1 GLU 502 HG3 0.10 0.02 -0.19 -0.04 2.34 2.23 3hvdE1 ARG 503 H 0.16 0.57 0.32 -0.55 8.46 8.97 3hvdE1 ARG 503 HA -0.02 0.17 0.88 -0.75 4.34 4.61 3hvdE1 ARG 503 HB2 -0.37 -0.02 0.04 -0.04 1.90 1.51 3hvdE1 ARG 503 HB3 -0.30 0.01 0.01 -0.04 1.80 1.48 3hvdE1 ARG 503 HG2 -0.01 -0.10 -0.46 -0.04 1.67 1.07 3hvdE1 ARG 503 HG3 -0.76 0.17 -0.07 -0.04 1.67 0.96 3hvdE1 ARG 503 HD2 -0.19 -0.00 0.05 -0.04 3.22 3.04 3hvdE1 ARG 503 HD3 -0.12 0.09 0.15 -0.04 3.22 3.31 3hvdE1 ARG 504 H 0.09 0.26 0.17 -0.55 8.46 8.42 3hvdE1 ARG 504 HA 0.05 0.30 1.06 -0.75 4.34 5.00 3hvdE1 ARG 504 HB2 0.24 -0.05 0.04 -0.04 1.90 2.09 3hvdE1 ARG 504 HB3 0.06 0.05 -0.12 -0.04 1.80 1.75 3hvdE1 ARG 504 HG2 0.07 0.04 -0.16 -0.04 1.67 1.58 3hvdE1 ARG 504 HG3 0.21 -0.06 -0.35 -0.04 1.67 1.44 3hvdE1 ARG 504 HD2 -0.25 -0.06 -0.21 -0.04 3.22 2.66 3hvdE1 ARG 504 HD3 -0.04 0.10 -0.22 -0.04 3.22 3.01 3hvdE1 ILE 505 H 0.01 0.65 0.30 -0.55 8.25 8.66 3hvdE1 ILE 505 HA -0.03 0.31 1.21 -0.75 4.18 4.91 3hvdE1 ILE 505 HB -0.03 -0.09 0.01 -0.04 1.89 1.74 3hvdE1 ILE 505 HG12 -0.12 -0.03 -0.08 -0.04 1.49 1.22 3hvdE1 ILE 505 HG13 -0.12 0.09 -0.25 -0.04 1.21 0.90 3hvdE1 ILE 505 HG23 -0.08 0.06 -0.08 -0.04 0.93 0.80 3hvdE1 ILE 505 HD13 -0.07 -0.03 -0.20 -0.04 0.88 0.54 3hvdE1 ALA 506 H -0.01 0.68 0.28 -0.55 8.40 8.80 3hvdE1 ALA 506 HA 0.02 0.16 0.58 -0.75 4.34 4.33 3hvdE1 ALA 506 HB3 0.03 -0.02 0.05 -0.04 1.41 1.43 3hvdE1 ALA 507 H 0.01 0.27 0.30 -0.55 8.40 8.44 3hvdE1 ALA 507 HA -0.00 0.19 0.86 -0.75 4.34 4.63 3hvdE1 ALA 507 HB3 -0.01 0.00 -0.53 -0.04 1.41 0.84 3hvdE1 VAL 508 H -0.01 0.18 0.16 -0.55 8.24 8.03 3hvdE1 VAL 508 HA 0.01 0.22 0.34 -0.75 4.13 3.94 3hvdE1 VAL 508 HB -0.01 -0.09 0.07 -0.04 2.12 2.06 3hvdE1 VAL 508 HG13 0.00 0.00 -0.19 -0.04 0.97 0.75 3hvdE1 VAL 508 HG23 -0.00 0.03 -0.01 -0.04 0.95 0.93 3hvdE1 ASN 509 H 0.01 0.23 -0.01 -0.55 8.53 8.20 3hvdE1 ASN 509 HA -0.00 0.17 0.94 -0.75 4.76 5.11 3hvdE1 ASN 509 HB2 0.00 0.14 0.07 -0.04 2.88 3.05 3hvdE1 ASN 509 HB3 0.01 -0.05 0.23 -0.04 2.79 2.93 3hvdE1 ASN 509 HD21 0.00 -0.03 -0.00 -0.04 7.03 6.96 3hvdE1 ASN 509 HD22 0.00 0.17 0.05 -0.04 7.74 7.93 3hvdE1 PRO 510 HA -0.00 0.10 0.32 -0.51 4.44 4.35 3hvdE1 PRO 510 HB2 -0.01 -0.04 0.05 -0.04 2.28 2.24 3hvdE1 PRO 510 HB3 -0.01 0.04 0.02 -0.04 2.02 2.04 3hvdE1 PRO 510 HG2 -0.01 0.03 0.04 -0.04 2.03 2.05 3hvdE1 PRO 510 HG3 -0.01 0.07 0.01 -0.04 2.03 2.06 3hvdE1 PRO 510 HD2 -0.01 0.11 0.19 -0.04 3.68 3.93 3hvdE1 PRO 510 HD3 -0.01 0.28 -0.32 -0.04 3.65 3.56 3hvdE1 SER 511 H -0.00 0.10 -0.22 -0.55 8.46 7.80 3hvdE1 SER 511 HA -0.00 0.05 0.33 -0.75 4.49 4.12 3hvdE1 SER 511 HB2 0.00 0.04 -0.05 -0.04 3.95 3.90 3hvdE1 SER 511 HB3 -0.00 -0.01 0.09 -0.04 3.93 3.97 3hvdE1 ASP 512 H 0.00 0.60 -0.53 -0.55 8.40 7.92 3hvdE1 ASP 512 HA 0.00 0.18 0.83 -0.75 4.63 4.90 3hvdE1 ASP 512 HB2 0.01 -0.00 -0.02 -0.04 2.71 2.65 3hvdE1 ASP 512 HB3 0.01 0.02 0.18 -0.04 2.70 2.87 3hvdE1 PRO 513 HA 0.01 0.12 0.43 -0.51 4.44 4.49 3hvdE1 PRO 513 HB2 0.01 -0.11 0.18 -0.04 2.28 2.31 3hvdE1 PRO 513 HB3 0.01 0.05 0.09 -0.04 2.02 2.13 3hvdE1 PRO 513 HG2 0.00 0.03 0.13 -0.04 2.03 2.15 3hvdE1 PRO 513 HG3 0.00 0.08 0.10 -0.04 2.03 2.18 3hvdE1 PRO 513 HD2 0.01 0.05 0.27 -0.04 3.68 3.97 3hvdE1 PRO 513 HD3 0.00 0.41 0.27 -0.04 3.65 4.29 3hvdE1 LEU 514 H 0.01 0.16 -0.01 -0.55 8.37 7.98 3hvdE1 LEU 514 HA 0.02 0.03 0.28 -0.75 4.35 3.93 3hvdE1 LEU 514 HB2 0.02 -0.01 0.10 -0.04 1.64 1.71 3hvdE1 LEU 514 HB3 0.02 -0.00 0.01 -0.04 1.64 1.63 3hvdE1 LEU 514 HG 0.03 0.05 -0.20 -0.04 1.64 1.48 3hvdE1 LEU 514 HD13 0.03 0.02 0.01 -0.04 0.93 0.94 3hvdE1 LEU 514 HD23 0.02 -0.00 -0.00 -0.04 0.89 0.87 3hvdE1 GLU 515 H 0.01 0.06 -0.70 -0.55 8.60 7.43 3hvdE1 GLU 515 HA 0.02 0.14 0.55 -0.75 4.29 4.25 3hvdE1 GLU 515 HB2 0.01 0.22 0.20 -0.04 2.09 2.48 3hvdE1 GLU 515 HB3 0.01 -0.13 0.17 -0.04 1.99 2.00 3hvdE1 GLU 515 HG2 0.01 -0.12 -0.02 -0.04 2.34 2.17 3hvdE1 GLU 515 HG3 0.01 0.05 0.06 -0.04 2.34 2.43 3hvdE1 THR 516 H 0.01 0.60 0.09 -0.55 8.28 8.43 3hvdE1 THR 516 HA 0.01 -0.00 0.46 -0.75 4.39 4.10 3hvdE1 THR 516 HB 0.01 -0.00 0.05 -0.04 4.32 4.33 3hvdE1 THR 516 HG23 0.00 -0.03 0.04 -0.04 1.22 1.19 3hvdE1 THR 517 H 0.02 0.24 -0.67 -0.55 8.28 7.32 3hvdE1 THR 517 HA 0.02 0.02 0.37 -0.75 4.39 4.04 3hvdE1 THR 517 HB 0.03 0.24 -0.01 -0.04 4.32 4.54 3hvdE1 THR 517 HG23 0.03 -0.07 0.05 -0.04 1.22 1.19 3hvdE1 LYS 518 H 0.02 0.34 -0.66 -0.55 8.42 7.57 3hvdE1 LYS 518 HA 0.03 0.01 0.44 -0.75 4.32 4.05 3hvdE1 LYS 518 HB2 0.02 0.13 -0.05 -0.04 1.87 1.93 3hvdE1 LYS 518 HB3 0.03 0.07 -0.14 -0.04 1.79 1.72 3hvdE1 LYS 518 HG2 0.04 -0.07 -0.01 -0.04 1.46 1.37 3hvdE1 LYS 518 HG3 0.03 -0.15 -0.13 -0.04 1.46 1.17 3hvdE1 LYS 518 HD2 0.03 -0.00 0.04 -0.04 1.69 1.72 3hvdE1 LYS 518 HD3 0.02 -0.03 0.14 -0.04 1.68 1.77 3hvdE1 LYS 518 HE2 0.02 -0.02 -0.35 -0.04 2.99 2.59 3hvdE1 LYS 518 HE3 0.03 -0.04 -0.09 -0.04 2.99 2.84 3hvdE1 PRO 519 HA 0.02 0.01 0.35 -0.51 4.44 4.31 3hvdE1 PRO 519 HB2 0.03 0.04 -0.12 -0.04 2.28 2.18 3hvdE1 PRO 519 HB3 0.02 0.03 0.01 -0.04 2.02 2.04 3hvdE1 PRO 519 HG2 0.06 0.07 -0.38 -0.04 2.03 1.74 3hvdE1 PRO 519 HG3 0.05 0.09 -0.08 -0.04 2.03 2.04 3hvdE1 PRO 519 HD2 0.04 0.08 0.01 -0.04 3.68 3.77 3hvdE1 PRO 519 HD3 0.05 0.10 -0.28 -0.04 3.65 3.49 3hvdE1 ASP 520 H 0.00 0.06 0.16 -0.55 8.40 8.08 3hvdE1 ASP 520 HA -0.01 0.06 0.55 -0.75 4.63 4.48 3hvdE1 ASP 520 HB2 -0.01 -0.03 0.10 -0.04 2.71 2.73 3hvdE1 ASP 520 HB3 -0.01 -0.04 0.00 -0.04 2.70 2.61 3hvdE1 MET 521 H -0.02 0.16 0.20 -0.55 8.47 8.27 3hvdE1 MET 521 HA -0.03 0.16 0.98 -0.75 4.52 4.88 3hvdE1 MET 521 HB2 -0.02 0.25 -0.09 -0.04 2.15 2.25 3hvdE1 MET 521 HB3 -0.02 -0.05 0.15 -0.04 2.03 2.06 3hvdE1 MET 521 HG2 -0.03 0.03 -0.17 -0.04 2.63 2.41 3hvdE1 MET 521 HG3 -0.04 -0.09 -0.35 -0.04 2.56 2.03 3hvdE1 MET 521 HE3 -0.04 0.06 -0.08 -0.04 2.10 1.99 3hvdE1 THR 522 H -0.04 0.17 0.10 -0.55 8.28 7.96 3hvdE1 THR 522 HA -0.05 0.40 0.93 -0.75 4.39 4.92 3hvdE1 THR 522 HB -0.05 0.03 -0.06 -0.04 4.32 4.20 3hvdE1 THR 522 HG23 -0.03 0.06 -0.12 -0.04 1.22 1.08 3hvdE1 LEU 523 H -0.07 0.67 0.21 -0.55 8.37 8.62 3hvdE1 LEU 523 HA -0.05 0.04 0.27 -0.75 4.35 3.86 3hvdE1 LEU 523 HB2 -0.10 0.05 0.04 -0.04 1.64 1.59 3hvdE1 LEU 523 HB3 -0.12 0.09 0.16 -0.04 1.64 1.73 3hvdE1 LEU 523 HG -0.09 -0.03 -0.29 -0.04 1.64 1.19 3hvdE1 LEU 523 HD13 0.04 -0.01 -0.08 -0.04 0.93 0.85 3hvdE1 LEU 523 HD23 -0.26 0.00 -0.10 -0.04 0.89 0.50 3hvdE1 LYS 524 H -0.08 0.29 -0.22 -0.55 8.42 7.85 3hvdE1 LYS 524 HA -0.12 0.03 0.21 -0.75 4.32 3.69 3hvdE1 LYS 524 HB2 -0.07 -0.05 -0.25 -0.04 1.87 1.45 3hvdE1 LYS 524 HB3 -0.05 -0.00 -0.09 -0.04 1.79 1.61 3hvdE1 LYS 524 HG2 -0.03 0.06 -0.38 -0.04 1.46 1.06 3hvdE1 LYS 524 HG3 -0.05 -0.03 -0.08 -0.04 1.46 1.26 3hvdE1 LYS 524 HD2 -0.02 -0.03 -0.05 -0.04 1.69 1.55 3hvdE1 LYS 524 HD3 -0.02 -0.01 -0.06 -0.04 1.68 1.55 3hvdE1 LYS 524 HE2 -0.01 0.03 -0.13 -0.04 2.99 2.85 3hvdE1 LYS 524 HE3 0.01 -0.03 -0.12 -0.04 2.99 2.81 3hvdE1 GLU 525 H -0.05 0.16 -0.35 -0.55 8.60 7.82 3hvdE1 GLU 525 HA -0.03 0.05 0.37 -0.75 4.29 3.92 3hvdE1 GLU 525 HB2 -0.04 -0.06 0.10 -0.04 2.09 2.05 3hvdE1 GLU 525 HB3 -0.04 0.06 0.08 -0.04 1.99 2.05 3hvdE1 GLU 525 HG2 -0.04 0.06 0.02 -0.04 2.34 2.33 3hvdE1 GLU 525 HG3 -0.04 0.02 -0.06 -0.04 2.34 2.22 3hvdE1 ALA 526 H -0.05 0.51 -0.14 -0.55 8.40 8.17 3hvdE1 ALA 526 HA -0.08 0.05 0.31 -0.75 4.34 3.86 3hvdE1 ALA 526 HB3 -0.03 0.04 -0.02 -0.04 1.41 1.36 3hvdE1 LEU 527 H -0.06 0.49 -0.16 -0.55 8.37 8.08 3hvdE1 LEU 527 HA 0.18 0.00 0.33 -0.75 4.35 4.11 3hvdE1 LEU 527 HB2 -0.29 0.15 0.04 -0.04 1.64 1.50 3hvdE1 LEU 527 HB3 -0.63 -0.08 -0.08 -0.04 1.64 0.80 3hvdE1 LEU 527 HG -0.61 -0.04 -0.06 -0.04 1.64 0.90 3hvdE1 LEU 527 HD13 0.00 0.03 -0.11 -0.04 0.93 0.81 3hvdE1 LEU 527 HD23 -0.57 -0.01 -0.13 -0.04 0.89 0.14 3hvdE1 LYS 528 H 0.00 0.38 -0.45 -0.55 8.42 7.80 3hvdE1 LYS 528 HA 0.16 0.11 0.48 -0.75 4.32 4.32 3hvdE1 LYS 528 HB2 0.00 0.16 0.20 -0.04 1.87 2.18 3hvdE1 LYS 528 HB3 0.03 -0.01 0.01 -0.04 1.79 1.77 3hvdE1 LYS 528 HG2 0.09 0.09 -0.20 -0.04 1.46 1.40 3hvdE1 LYS 528 HG3 0.04 -0.00 -0.08 -0.04 1.46 1.38 3hvdE1 LYS 528 HD2 0.02 -0.11 -0.17 -0.04 1.69 1.39 3hvdE1 LYS 528 HD3 -0.01 -0.02 -0.09 -0.04 1.68 1.52 3hvdE1 LYS 528 HE2 0.03 -0.01 -0.05 -0.04 2.99 2.92 3hvdE1 LYS 528 HE3 0.01 -0.06 -0.07 -0.04 2.99 2.83 3hvdE1 ILE 529 H -0.04 0.45 -0.02 -0.55 8.25 8.08 3hvdE1 ILE 529 HA -0.02 0.15 0.58 -0.75 4.18 4.14 3hvdE1 ILE 529 HB -0.23 -0.01 0.07 -0.04 1.89 1.68 3hvdE1 ILE 529 HG12 -0.15 0.08 0.01 -0.04 1.49 1.39 3hvdE1 ILE 529 HG13 -0.22 0.08 -0.24 -0.04 1.21 0.79 3hvdE1 ILE 529 HG23 -0.03 0.01 -0.03 -0.04 0.93 0.84 3hvdE1 ILE 529 HD13 -0.53 -0.02 -0.13 -0.04 0.88 0.16 3hvdE1 ALA 530 H -0.11 0.43 -0.07 -0.55 8.40 8.11 3hvdE1 ALA 530 HA -0.27 0.18 0.67 -0.75 4.34 4.16 3hvdE1 ALA 530 HB3 -0.48 -0.03 -0.06 -0.04 1.41 0.80 3hvdE1 PHE 531 H 0.05 0.16 -0.07 -0.55 8.34 7.92 3hvdE1 PHE 531 HA 0.04 0.24 0.99 -0.75 4.62 5.14 3hvdE1 PHE 531 HB2 -0.06 0.02 0.08 -0.04 3.15 3.15 3hvdE1 PHE 531 HB3 -0.18 -0.07 -0.02 -0.04 3.06 2.75 3hvdE1 PHE 531 HD2 -0.01 -0.02 -0.04 -0.04 7.28 7.17 3hvdE1 PHE 531 HE2 0.01 -0.02 -0.16 -0.04 7.38 7.17 3hvdE1 PHE 531 HZ 0.03 0.38 -0.03 -0.04 7.32 7.66 3hvdE1 GLY 532 H 0.19 0.26 0.19 -0.55 8.43 8.53 3hvdE1 GLY 532 HA2 0.08 0.12 0.28 -0.51 4.01 3.98 3hvdE1 GLY 532 HA3 0.14 0.13 0.93 -0.51 4.01 4.69 3hvdE1 PHE 533 H 0.31 0.15 0.14 -0.55 8.34 8.39 3hvdE1 PHE 533 HA 0.12 0.13 0.54 -0.75 4.62 4.66 3hvdE1 PHE 533 HB2 0.00 -0.01 -0.42 -0.04 3.15 2.68 3hvdE1 PHE 533 HB3 0.02 -0.03 -0.10 -0.04 3.06 2.91 3hvdE1 PHE 533 HD2 -0.04 0.08 -0.14 -0.04 7.28 7.14 3hvdE1 PHE 533 HE2 -0.75 -0.01 -0.18 -0.04 7.38 6.40 3hvdE1 PHE 533 HZ -1.19 -0.00 -0.15 -0.04 7.32 5.93 3hvdE1 ASN 534 H 0.17 0.38 0.39 -0.55 8.53 8.92 3hvdE1 ASN 534 HA 0.09 0.18 0.63 -0.75 4.76 4.91 3hvdE1 ASN 534 HB2 0.04 -0.12 0.08 -0.04 2.88 2.85 3hvdE1 ASN 534 HB3 0.04 0.20 -0.06 -0.04 2.79 2.93 3hvdE1 ASN 534 HD21 -0.02 -0.09 -0.03 -0.04 7.03 6.85 3hvdE1 ASN 534 HD22 -0.00 0.07 -0.03 -0.04 7.74 7.74 3hvdE1 GLU 535 H 0.05 0.23 -0.02 -0.55 8.60 8.31 3hvdE1 GLU 535 HA 0.07 0.34 0.65 -0.75 4.29 4.59 3hvdE1 GLU 535 HB2 0.04 0.06 0.10 -0.04 2.09 2.25 3hvdE1 GLU 535 HB3 0.04 -0.16 -0.22 -0.04 1.99 1.61 3hvdE1 GLU 535 HG2 0.06 0.02 -0.42 -0.04 2.34 1.95 3hvdE1 GLU 535 HG3 0.05 -0.02 -0.33 -0.04 2.34 2.00 3hvdE1 PRO 536 HA 0.03 0.12 0.46 -0.51 4.44 4.54 3hvdE1 PRO 536 HB2 0.04 -0.06 0.10 -0.04 2.28 2.32 3hvdE1 PRO 536 HB3 0.03 0.06 0.06 -0.04 2.02 2.12 3hvdE1 PRO 536 HG2 0.05 0.04 -0.01 -0.04 2.03 2.06 3hvdE1 PRO 536 HG3 0.03 0.05 -0.02 -0.04 2.03 2.05 3hvdE1 PRO 536 HD2 0.07 0.38 0.12 -0.04 3.68 4.21 3hvdE1 PRO 536 HD3 0.06 0.13 -0.41 -0.04 3.65 3.39 3hvdE1 ASN 537 H 0.04 0.15 -0.06 -0.55 8.53 8.12 3hvdE1 ASN 537 HA 0.03 0.28 0.81 -0.75 4.76 5.12 3hvdE1 ASN 537 HB2 0.03 -0.03 0.12 -0.04 2.88 2.97 3hvdE1 ASN 537 HB3 0.03 0.04 0.16 -0.04 2.79 2.98 3hvdE1 ASN 537 HD21 0.02 0.02 -0.02 -0.04 7.03 7.01 3hvdE1 ASN 537 HD22 0.03 -0.01 0.01 -0.04 7.74 7.73 3hvdE1 GLY 538 H 0.03 0.42 -0.65 -0.55 8.43 7.68 3hvdE1 GLY 538 HA2 0.03 0.06 0.21 -0.51 4.01 3.81 3hvdE1 GLY 538 HA3 0.03 0.10 0.43 -0.51 4.01 4.06 3hvdE1 ASN 539 H 0.05 -0.14 -0.82 -0.55 8.53 7.07 3hvdE1 ASN 539 HA 0.06 0.16 0.83 -0.75 4.76 5.06 3hvdE1 ASN 539 HB2 0.07 -0.09 0.04 -0.04 2.88 2.85 3hvdE1 ASN 539 HB3 0.07 0.02 -0.01 -0.04 2.79 2.83 3hvdE1 ASN 539 HD21 0.04 0.03 -0.09 -0.04 7.03 6.96 3hvdE1 ASN 539 HD22 0.05 0.07 -0.31 -0.04 7.74 7.51 3hvdE1 LEU 540 H 0.08 0.15 0.11 -0.55 8.37 8.17 3hvdE1 LEU 540 HA 0.13 0.32 0.41 -0.75 4.35 4.46 3hvdE1 LEU 540 HB2 0.05 0.02 0.07 -0.04 1.64 1.75 3hvdE1 LEU 540 HB3 0.10 -0.09 0.09 -0.04 1.64 1.70 3hvdE1 LEU 540 HG 0.08 -0.03 -0.16 -0.04 1.64 1.49 3hvdE1 LEU 540 HD13 0.14 0.07 -0.11 -0.04 0.93 0.99 3hvdE1 LEU 540 HD23 -0.16 -0.00 -0.07 -0.04 0.89 0.62 3hvdE1 GLN 541 H 0.29 0.47 0.39 -0.55 8.47 9.08 3hvdE1 GLN 541 HA 0.40 0.02 0.62 -0.75 4.36 4.65 3hvdE1 GLN 541 HB2 0.19 0.07 -0.47 -0.04 2.15 1.90 3hvdE1 GLN 541 HB3 0.16 0.07 -0.48 -0.04 2.02 1.72 3hvdE1 GLN 541 HG2 0.10 0.07 -0.13 -0.04 2.40 2.40 3hvdE1 GLN 541 HG3 0.08 -0.13 -0.62 -0.04 2.39 1.67 3hvdE1 GLN 541 HE21 0.03 0.07 -0.07 -0.04 6.97 6.96 3hvdE1 GLN 541 HE22 0.02 -0.10 -0.13 -0.04 7.69 7.43 3hvdE1 TYR 542 H 0.34 0.86 0.09 -0.55 8.29 9.02 3hvdE1 TYR 542 HA -0.25 0.16 0.85 -0.75 4.56 4.57 3hvdE1 TYR 542 HB2 -1.45 -0.02 -0.17 -0.04 3.06 1.38 3hvdE1 TYR 542 HB3 -0.02 0.01 0.03 -0.04 2.98 2.96 3hvdE1 TYR 542 HD2 -0.35 -0.02 -0.24 -0.04 7.15 6.50 3hvdE1 TYR 542 HE2 -0.01 0.19 -0.21 -0.04 6.85 6.78 3hvdE1 GLN 543 H -0.37 0.24 0.01 -0.55 8.47 7.81 3hvdE1 GLN 543 HA -0.16 0.04 0.31 -0.75 4.36 3.80 3hvdE1 GLN 543 HB2 -0.26 0.07 -0.11 -0.04 2.15 1.81 3hvdE1 GLN 543 HB3 -0.14 0.02 0.17 -0.04 2.02 2.03 3hvdE1 GLN 543 HG2 -0.33 0.02 0.06 -0.04 2.40 2.12 3hvdE1 GLN 543 HG3 -1.06 -0.01 -0.05 -0.04 2.39 1.22 3hvdE1 GLN 543 HE21 -0.06 0.01 0.01 -0.04 6.97 6.89 3hvdE1 GLN 543 HE22 -0.25 0.04 0.00 -0.04 7.69 7.44 3hvdE1 GLY 544 H 0.00 0.06 -0.34 -0.55 8.43 7.61 3hvdE1 GLY 544 HA2 0.03 -0.03 0.26 -0.51 4.01 3.77 3hvdE1 GLY 544 HA3 0.03 0.17 0.48 -0.51 4.01 4.18 3hvdE1 LYS 545 H 0.14 0.66 -0.44 -0.55 8.42 8.23 3hvdE1 LYS 545 HA 0.08 0.02 0.59 -0.75 4.32 4.26 3hvdE1 LYS 545 HB2 0.33 0.14 0.13 -0.04 1.87 2.42 3hvdE1 LYS 545 HB3 0.01 -0.01 -0.01 -0.04 1.79 1.74 3hvdE1 LYS 545 HG2 0.02 -0.06 0.03 -0.04 1.46 1.41 3hvdE1 LYS 545 HG3 0.09 0.08 0.03 -0.04 1.46 1.62 3hvdE1 LYS 545 HD2 -0.08 -0.06 0.02 -0.04 1.69 1.52 3hvdE1 LYS 545 HD3 0.06 -0.02 0.02 -0.04 1.68 1.70 3hvdE1 LYS 545 HE2 0.22 0.09 0.03 -0.04 2.99 3.29 3hvdE1 LYS 545 HE3 0.45 -0.00 0.01 -0.04 2.99 3.40 3hvdE1 ASP 546 H 0.10 0.12 0.21 -0.55 8.40 8.28 3hvdE1 ASP 546 HA 0.21 0.18 0.49 -0.75 4.63 4.76 3hvdE1 ASP 546 HB2 0.09 0.10 0.14 -0.04 2.71 3.00 3hvdE1 ASP 546 HB3 0.09 -0.08 0.10 -0.04 2.70 2.77 3hvdE1 ILE 547 H 0.29 0.64 0.27 -0.55 8.25 8.90 3hvdE1 ILE 547 HA 0.63 0.08 0.25 -0.75 4.18 4.39 3hvdE1 ILE 547 HB 0.22 0.01 -0.09 -0.04 1.89 1.98 3hvdE1 ILE 547 HG12 0.10 -0.01 -0.07 -0.04 1.49 1.48 3hvdE1 ILE 547 HG13 0.42 -0.01 -0.12 -0.04 1.21 1.46 3hvdE1 ILE 547 HG23 0.26 0.02 -0.01 -0.04 0.93 1.16 3hvdE1 ILE 547 HD13 -0.02 0.00 -0.05 -0.04 0.88 0.76 3hvdE1 THR 548 H 0.21 0.02 -0.54 -0.55 8.28 7.42 3hvdE1 THR 548 HA 0.10 0.13 0.42 -0.75 4.39 4.28 3hvdE1 THR 548 HB -0.19 0.02 0.06 -0.04 4.32 4.18 3hvdE1 THR 548 HG23 -0.04 -0.01 -0.01 -0.04 1.22 1.13 3hvdE1 GLU 549 H 0.09 0.60 -0.37 -0.55 8.60 8.37 3hvdE1 GLU 549 HA -0.11 0.11 0.57 -0.75 4.29 4.10 3hvdE1 GLU 549 HB2 -0.40 0.17 0.03 -0.04 2.09 1.85 3hvdE1 GLU 549 HB3 -0.32 -0.10 0.19 -0.04 1.99 1.71 3hvdE1 GLU 549 HG2 -0.08 0.01 -0.01 -0.04 2.34 2.22 3hvdE1 GLU 549 HG3 -0.03 -0.08 -0.00 -0.04 2.34 2.19 3hvdE1 PHE 550 H 0.26 0.32 -0.63 -0.55 8.34 7.73 3hvdE1 PHE 550 HA 0.04 0.11 1.00 -0.75 4.62 5.02 3hvdE1 PHE 550 HB2 -0.03 0.10 -0.08 -0.04 3.15 3.10 3hvdE1 PHE 550 HB3 -0.10 0.02 -0.15 -0.04 3.06 2.78 3hvdE1 PHE 550 HD2 0.15 -0.01 -0.36 -0.04 7.28 7.02 3hvdE1 PHE 550 HE2 0.15 0.03 -0.22 -0.04 7.38 7.30 3hvdE1 PHE 550 HZ 0.23 0.06 -0.09 -0.04 7.32 7.48 3hvdE1 ASP 551 H 0.06 0.78 0.30 -0.55 8.40 8.99 3hvdE1 ASP 551 HA 0.08 0.09 0.71 -0.75 4.63 4.74 3hvdE1 ASP 551 HB2 -0.05 0.07 0.13 -0.04 2.71 2.82 3hvdE1 ASP 551 HB3 -0.09 0.02 -0.10 -0.04 2.70 2.49 3hvdE1 PHE 552 H 0.10 0.16 0.16 -0.55 8.34 8.21 3hvdE1 PHE 552 HA -0.25 0.28 0.91 -0.75 4.62 4.81 3hvdE1 PHE 552 HB2 -0.14 -0.05 0.12 -0.04 3.15 3.04 3hvdE1 PHE 552 HB3 -0.43 -0.02 -0.06 -0.04 3.06 2.51 3hvdE1 PHE 552 HD2 -0.18 -0.01 -0.11 -0.04 7.28 6.94 3hvdE1 PHE 552 HE2 -0.29 0.01 -0.14 -0.04 7.38 6.92 3hvdE1 PHE 552 HZ -0.23 -0.03 -0.14 -0.04 7.32 6.88 3hvdE1 ASN 553 H -0.34 0.46 0.26 -0.55 8.53 8.36 3hvdE1 ASN 553 HA -0.35 0.17 0.97 -0.75 4.76 4.80 3hvdE1 ASN 553 HB2 -0.15 -0.00 0.06 -0.04 2.88 2.76 3hvdE1 ASN 553 HB3 -0.10 0.01 -0.00 -0.04 2.79 2.66 3hvdE1 ASN 553 HD21 -0.11 -0.03 -0.20 -0.04 7.03 6.65 3hvdE1 ASN 553 HD22 -0.17 0.24 -0.19 -0.04 7.74 7.58 3hvdE1 PHE 554 H -0.06 0.23 0.16 -0.55 8.34 8.12 3hvdE1 PHE 554 HA 0.04 0.40 1.09 -0.75 4.62 5.40 3hvdE1 PHE 554 HB2 0.02 -0.06 -0.02 -0.04 3.15 3.05 3hvdE1 PHE 554 HB3 0.02 -0.03 -0.00 -0.04 3.06 3.00 3hvdE1 PHE 554 HD2 0.03 0.10 -0.04 -0.04 7.28 7.34 3hvdE1 PHE 554 HE2 0.02 0.00 -0.12 -0.04 7.38 7.24 3hvdE1 PHE 554 HZ -0.19 -0.01 -0.13 -0.04 7.32 6.95 3hvdE1 ASP 555 H 0.17 0.30 0.22 -0.55 8.40 8.54 3hvdE1 ASP 555 HA 0.08 0.14 0.61 -0.75 4.63 4.70 3hvdE1 ASP 555 HB2 0.06 0.02 0.17 -0.04 2.71 2.92 3hvdE1 ASP 555 HB3 0.09 0.15 0.15 -0.04 2.70 3.04 3hvdE1 GLN 556 H 0.05 0.20 0.18 -0.55 8.47 8.36 3hvdE1 GLN 556 HA 0.06 0.08 0.24 -0.75 4.36 3.98 3hvdE1 GLN 556 HB2 0.03 0.03 0.19 -0.04 2.15 2.37 3hvdE1 GLN 556 HB3 0.03 0.02 0.06 -0.04 2.02 2.09 3hvdE1 GLN 556 HG2 0.02 0.00 0.02 -0.04 2.40 2.40 3hvdE1 GLN 556 HG3 0.03 0.01 0.09 -0.04 2.39 2.48 3hvdE1 GLN 556 HE21 0.02 0.01 0.02 -0.04 6.97 6.98 3hvdE1 GLN 556 HE22 0.02 -0.00 0.03 -0.04 7.69 7.69 3hvdE1 GLN 557 H 0.03 0.08 -0.22 -0.55 8.47 7.82 3hvdE1 GLN 557 HA 0.01 0.07 0.47 -0.75 4.36 4.15 3hvdE1 GLN 557 HB2 0.02 -0.01 0.12 -0.04 2.15 2.23 3hvdE1 GLN 557 HB3 0.01 0.07 0.06 -0.04 2.02 2.11 3hvdE1 GLN 557 HG2 0.02 -0.15 0.09 -0.04 2.40 2.32 3hvdE1 GLN 557 HG3 0.02 0.13 0.07 -0.04 2.39 2.56 3hvdE1 GLN 557 HE21 0.01 0.01 0.02 -0.04 6.97 6.97 3hvdE1 GLN 557 HE22 0.02 0.01 0.04 -0.04 7.69 7.71 3hvdE1 THR 558 H 0.04 0.10 -0.05 -0.55 8.28 7.82 3hvdE1 THR 558 HA -0.06 0.04 0.29 -0.75 4.39 3.91 3hvdE1 THR 558 HB 0.11 0.07 0.20 -0.04 4.32 4.65 3hvdE1 THR 558 HG23 -0.21 0.02 -0.08 -0.04 1.22 0.91 3hvdE1 SER 559 H 0.06 0.63 -0.31 -0.55 8.46 8.30 3hvdE1 SER 559 HA -0.06 -0.00 0.36 -0.75 4.49 4.03 3hvdE1 SER 559 HB2 0.17 0.08 -0.07 -0.04 3.95 4.08 3hvdE1 SER 559 HB3 0.06 0.09 0.06 -0.04 3.93 4.09 3hvdE1 GLN 560 H -0.00 0.54 -0.07 -0.55 8.47 8.39 3hvdE1 GLN 560 HA -0.02 -0.03 0.39 -0.75 4.36 3.95 3hvdE1 GLN 560 HB2 -0.01 0.23 0.24 -0.04 2.15 2.57 3hvdE1 GLN 560 HB3 -0.02 -0.06 0.03 -0.04 2.02 1.93 3hvdE1 GLN 560 HG2 0.01 -0.01 0.12 -0.04 2.40 2.48 3hvdE1 GLN 560 HG3 0.00 -0.00 0.08 -0.04 2.39 2.43 3hvdE1 GLN 560 HE21 0.00 -0.02 0.01 -0.04 6.97 6.93 3hvdE1 GLN 560 HE22 0.01 0.00 0.02 -0.04 7.69 7.68 3hvdE1 ASN 561 H -0.06 0.41 -0.17 -0.55 8.53 8.15 3hvdE1 ASN 561 HA -0.06 -0.01 0.40 -0.75 4.76 4.33 3hvdE1 ASN 561 HB2 -0.06 -0.01 0.09 -0.04 2.88 2.86 3hvdE1 ASN 561 HB3 -0.11 0.15 0.16 -0.04 2.79 2.94 3hvdE1 ASN 561 HD21 -0.05 0.01 -0.02 -0.04 7.03 6.93 3hvdE1 ASN 561 HD22 -0.04 -0.00 0.00 -0.04 7.74 7.65 3hvdE1 ILE 562 H -0.19 0.56 -0.10 -0.55 8.25 7.96 3hvdE1 ILE 562 HA -0.17 0.02 0.52 -0.75 4.18 3.80 3hvdE1 ILE 562 HB -0.38 0.10 0.10 -0.04 1.89 1.67 3hvdE1 ILE 562 HG12 -0.32 -0.01 -0.02 -0.04 1.49 1.11 3hvdE1 ILE 562 HG13 -0.45 0.21 0.06 -0.04 1.21 0.99 3hvdE1 ILE 562 HG23 -0.24 -0.02 -0.08 -0.04 0.93 0.54 3hvdE1 ILE 562 HD13 -1.15 -0.02 -0.09 -0.04 0.88 -0.42 3hvdE1 LYS 563 H -0.09 0.63 -0.05 -0.55 8.42 8.36 3hvdE1 LYS 563 HA -0.04 0.01 0.50 -0.75 4.32 4.04 3hvdE1 LYS 563 HB2 -0.01 -0.01 0.08 -0.04 1.87 1.88 3hvdE1 LYS 563 HB3 -0.03 0.15 0.19 -0.04 1.79 2.06 3hvdE1 LYS 563 HG2 -0.01 -0.00 -0.15 -0.04 1.46 1.25 3hvdE1 LYS 563 HG3 -0.01 -0.03 0.03 -0.04 1.46 1.41 3hvdE1 LYS 563 HD2 0.00 -0.01 -0.01 -0.04 1.69 1.63 3hvdE1 LYS 563 HD3 0.00 -0.03 -0.02 -0.04 1.68 1.60 3hvdE1 LYS 563 HE2 0.01 -0.00 0.01 -0.04 2.99 2.97 3hvdE1 LYS 563 HE3 0.02 0.02 -0.01 -0.04 2.99 2.98 3hvdE1 ASN 564 H -0.05 0.61 -0.11 -0.55 8.53 8.44 3hvdE1 ASN 564 HA -0.03 0.00 0.52 -0.75 4.76 4.50 3hvdE1 ASN 564 HB2 -0.05 0.23 0.25 -0.04 2.88 3.27 3hvdE1 ASN 564 HB3 -0.03 -0.05 0.02 -0.04 2.79 2.69 3hvdE1 ASN 564 HD21 -0.02 -0.04 -0.01 -0.04 7.03 6.91 3hvdE1 ASN 564 HD22 -0.03 0.01 0.02 -0.04 7.74 7.70 3hvdE1 GLN 565 H -0.06 0.55 0.03 -0.55 8.47 8.44 3hvdE1 GLN 565 HA -0.04 -0.01 0.40 -0.75 4.36 3.96 3hvdE1 GLN 565 HB2 -0.09 0.08 0.14 -0.04 2.15 2.25 3hvdE1 GLN 565 HB3 -0.06 0.01 0.10 -0.04 2.02 2.02 3hvdE1 GLN 565 HG2 -0.05 -0.05 0.11 -0.04 2.40 2.37 3hvdE1 GLN 565 HG3 -0.08 0.34 0.19 -0.04 2.39 2.81 3hvdE1 GLN 565 HE21 -0.09 0.52 0.18 -0.04 6.97 7.54 3hvdE1 GLN 565 HE22 -0.09 -0.01 -0.04 -0.04 7.69 7.52 3hvdE1 LEU 566 H -0.05 0.48 -0.47 -0.55 8.37 7.78 3hvdE1 LEU 566 HA -0.04 -0.01 0.47 -0.75 4.35 4.02 3hvdE1 LEU 566 HB2 -0.03 0.13 0.15 -0.04 1.64 1.84 3hvdE1 LEU 566 HB3 -0.02 0.17 0.10 -0.04 1.64 1.86 3hvdE1 LEU 566 HG -0.07 0.12 -0.02 -0.04 1.64 1.62 3hvdE1 LEU 566 HD13 -0.03 -0.03 -0.13 -0.04 0.93 0.69 3hvdE1 LEU 566 HD23 -0.04 -0.05 -0.24 -0.04 0.89 0.51 3hvdE1 ALA 567 H -0.03 0.55 -0.23 -0.55 8.40 8.14 3hvdE1 ALA 567 HA -0.01 0.07 0.81 -0.75 4.34 4.46 3hvdE1 ALA 567 HB3 -0.01 0.03 0.17 -0.04 1.41 1.55 3hvdE1 GLU 568 H -0.02 0.50 0.10 -0.55 8.60 8.64 3hvdE1 GLU 568 HA -0.01 0.04 0.43 -0.75 4.29 4.00 3hvdE1 GLU 568 HB2 -0.02 0.07 0.06 -0.04 2.09 2.16 3hvdE1 GLU 568 HB3 -0.02 -0.03 0.13 -0.04 1.99 2.04 3hvdE1 GLU 568 HG2 -0.02 -0.04 0.02 -0.04 2.34 2.27 3hvdE1 GLU 568 HG3 -0.02 0.16 0.01 -0.04 2.34 2.45 3hvdE1 LEU 569 H -0.02 0.07 -0.76 -0.55 8.37 7.11 3hvdE1 LEU 569 HA -0.01 0.15 0.81 -0.75 4.35 4.55 3hvdE1 LEU 569 HB2 -0.03 0.08 0.05 -0.04 1.64 1.70 3hvdE1 LEU 569 HB3 -0.02 -0.10 0.00 -0.04 1.64 1.48 3hvdE1 LEU 569 HG -0.03 0.03 -0.11 -0.04 1.64 1.50 3hvdE1 LEU 569 HD13 -0.04 -0.00 -0.09 -0.04 0.93 0.76 3hvdE1 LEU 569 HD23 -0.02 -0.00 0.03 -0.04 0.89 0.85 3hvdE1 ASN 570 H -0.01 0.19 -0.41 -0.55 8.53 7.75 3hvdE1 ASN 570 HA -0.01 0.03 0.41 -0.75 4.76 4.44 3hvdE1 ASN 570 HB2 -0.00 0.02 -0.10 -0.04 2.88 2.75 3hvdE1 ASN 570 HB3 -0.00 0.13 0.05 -0.04 2.79 2.93 3hvdE1 ASN 570 HD21 0.00 -0.07 0.04 -0.04 7.03 6.96 3hvdE1 ASN 570 HD22 -0.00 0.01 0.03 -0.04 7.74 7.74 3hvdE1 ALA 571 H -0.01 0.74 0.13 -0.55 8.40 8.72 3hvdE1 ALA 571 HA 0.00 0.12 0.90 -0.75 4.34 4.60 3hvdE1 ALA 571 HB3 -0.00 -0.00 -0.08 -0.04 1.41 1.28 3hvdE1 THR 572 H 0.02 0.05 0.18 -0.55 8.28 7.97 3hvdE1 THR 572 HA 0.02 0.27 0.90 -0.75 4.39 4.82 3hvdE1 THR 572 HB 0.03 0.01 0.09 -0.04 4.32 4.41 3hvdE1 THR 572 HG23 0.01 0.02 -0.11 -0.04 1.22 1.11 3hvdE1 ASN 573 H 0.03 0.03 0.10 -0.55 8.53 8.14 3hvdE1 ASN 573 HA 0.10 0.24 1.01 -0.75 4.76 5.36 3hvdE1 ASN 573 HB2 0.06 0.07 0.05 -0.04 2.88 3.03 3hvdE1 ASN 573 HB3 0.06 -0.01 0.19 -0.04 2.79 3.00 3hvdE1 ASN 573 HD21 0.12 0.07 -0.05 -0.04 7.03 7.12 3hvdE1 ASN 573 HD22 0.08 0.04 -0.03 -0.04 7.74 7.79 3hvdE1 ILE 574 H 0.07 0.31 0.07 -0.55 8.25 8.14 3hvdE1 ILE 574 HA -0.07 0.10 0.21 -0.75 4.18 3.66 3hvdE1 ILE 574 HB -0.08 0.06 0.04 -0.04 1.89 1.88 3hvdE1 ILE 574 HG12 -0.15 0.02 -0.07 -0.04 1.49 1.25 3hvdE1 ILE 574 HG13 -0.17 0.04 -0.07 -0.04 1.21 0.97 3hvdE1 ILE 574 HG23 -0.52 -0.00 -0.22 -0.04 0.93 0.15 3hvdE1 ILE 574 HD13 -0.39 -0.01 -0.10 -0.04 0.88 0.33 3hvdE1 TYR 575 H 0.27 0.05 -0.37 -0.55 8.29 7.69 3hvdE1 TYR 575 HA -0.01 0.12 0.24 -0.75 4.56 4.15 3hvdE1 TYR 575 HB2 0.04 -0.03 -0.02 -0.04 3.06 3.01 3hvdE1 TYR 575 HB3 0.06 0.01 -0.01 -0.04 2.98 3.01 3hvdE1 TYR 575 HD2 0.12 -0.10 -0.10 -0.04 7.15 7.03 3hvdE1 TYR 575 HE2 0.23 0.15 0.06 -0.04 6.85 7.24 3hvdE1 THR 576 H 0.08 0.27 -0.47 -0.55 8.28 7.61 3hvdE1 THR 576 HA 0.06 0.15 0.65 -0.75 4.39 4.49 3hvdE1 THR 576 HB 0.02 0.00 0.14 -0.04 4.32 4.45 3hvdE1 THR 576 HG23 0.02 0.01 -0.03 -0.04 1.22 1.18 3hvdE1 VAL 577 H -0.01 0.23 -0.01 -0.55 8.24 7.90 3hvdE1 VAL 577 HA -0.02 0.11 0.34 -0.75 4.13 3.80 3hvdE1 VAL 577 HB -0.04 0.02 0.08 -0.04 2.12 2.14 3hvdE1 VAL 577 HG13 -0.01 0.02 -0.02 -0.04 0.97 0.91 3hvdE1 VAL 577 HG23 -0.05 0.02 -0.13 -0.04 0.95 0.74 3hvdE1 LEU 578 H -0.04 0.39 -1.10 -0.55 8.37 7.08 3hvdE1 LEU 578 HA -0.14 0.08 0.21 -0.75 4.35 3.74 3hvdE1 LEU 578 HB2 -0.06 0.19 -0.06 -0.04 1.64 1.67 3hvdE1 LEU 578 HB3 -0.05 -0.03 -0.01 -0.04 1.64 1.51 3hvdE1 LEU 578 HG -0.14 -0.14 -0.11 -0.04 1.64 1.22 3hvdE1 LEU 578 HD13 -0.37 0.01 -0.10 -0.04 0.93 0.43 3hvdE1 LEU 578 HD23 -0.05 0.01 -0.07 -0.04 0.89 0.74 3hvdE1 ASP 579 H -0.04 0.24 -0.17 -0.55 8.40 7.88 3hvdE1 ASP 579 HA -0.05 -0.05 0.45 -0.75 4.63 4.22 3hvdE1 ASP 579 HB2 -0.03 0.04 0.12 -0.04 2.71 2.80 3hvdE1 ASP 579 HB3 -0.02 -0.01 0.05 -0.04 2.70 2.68 3hvdE1 LYS 580 H -0.05 0.52 -0.63 -0.55 8.42 7.70 3hvdE1 LYS 580 HA -0.04 0.19 0.82 -0.75 4.32 4.54 3hvdE1 LYS 580 HB2 -0.04 0.08 0.02 -0.04 1.87 1.88 3hvdE1 LYS 580 HB3 -0.03 0.00 0.12 -0.04 1.79 1.84 3hvdE1 LYS 580 HG2 -0.02 0.05 -0.11 -0.04 1.46 1.34 3hvdE1 LYS 580 HG3 -0.02 -0.13 -0.28 -0.04 1.46 0.99 3hvdE1 LYS 580 HD2 -0.02 -0.02 -0.03 -0.04 1.69 1.57 3hvdE1 LYS 580 HD3 -0.02 0.03 -0.01 -0.04 1.68 1.64 3hvdE1 LYS 580 HE2 -0.01 0.01 -0.05 -0.04 2.99 2.90 3hvdE1 LYS 580 HE3 -0.01 -0.03 -0.07 -0.04 2.99 2.84 3hvdE1 ILE 581 H -0.08 0.25 -0.10 -0.55 8.25 7.78 3hvdE1 ILE 581 HA -0.08 0.13 0.74 -0.75 4.18 4.21 3hvdE1 ILE 581 HB -0.12 -0.10 0.20 -0.04 1.89 1.82 3hvdE1 ILE 581 HG12 -0.11 0.25 -0.02 -0.04 1.49 1.57 3hvdE1 ILE 581 HG13 -0.18 -0.05 -0.06 -0.04 1.21 0.88 3hvdE1 ILE 581 HG23 -0.16 0.02 -0.12 -0.04 0.93 0.62 3hvdE1 ILE 581 HD13 -0.12 -0.00 -0.13 -0.04 0.88 0.59 3hvdE1 LYS 582 H -0.07 0.16 0.16 -0.55 8.42 8.12 3hvdE1 LYS 582 HA -0.05 0.15 0.56 -0.75 4.32 4.22 3hvdE1 LYS 582 HB2 -0.05 -0.05 0.03 -0.04 1.87 1.77 3hvdE1 LYS 582 HB3 -0.04 0.07 0.01 -0.04 1.79 1.79 3hvdE1 LYS 582 HG2 -0.05 0.03 0.07 -0.04 1.46 1.48 3hvdE1 LYS 582 HG3 -0.04 -0.01 0.02 -0.04 1.46 1.39 3hvdE1 LYS 582 HD2 -0.03 0.00 -0.06 -0.04 1.69 1.57 3hvdE1 LYS 582 HD3 -0.04 -0.01 -0.22 -0.04 1.68 1.37 3hvdE1 LYS 582 HE2 -0.02 -0.01 -0.04 -0.04 2.99 2.87 3hvdE1 LYS 582 HE3 -0.03 0.07 -0.03 -0.04 2.99 2.96 3hvdE1 LEU 583 H -0.04 0.82 0.39 -0.55 8.37 9.00 3hvdE1 LEU 583 HA -0.06 0.07 0.90 -0.75 4.35 4.51 3hvdE1 LEU 583 HB2 -0.03 0.07 0.05 -0.04 1.64 1.69 3hvdE1 LEU 583 HB3 -0.02 0.05 -0.05 -0.04 1.64 1.58 3hvdE1 LEU 583 HG -0.04 -0.06 -0.30 -0.04 1.64 1.19 3hvdE1 LEU 583 HD13 -0.01 -0.00 -0.19 -0.04 0.93 0.69 3hvdE1 LEU 583 HD23 -0.04 0.00 -0.14 -0.04 0.89 0.67 3hvdE1 ASN 584 H -0.04 0.08 0.09 -0.55 8.53 8.12 3hvdE1 ASN 584 HA -0.02 0.35 0.90 -0.75 4.76 5.24 3hvdE1 ASN 584 HB2 -0.03 -0.09 0.03 -0.04 2.88 2.75 3hvdE1 ASN 584 HB3 -0.02 0.07 0.12 -0.04 2.79 2.92 3hvdE1 ASN 584 HD21 -0.02 -0.05 -0.01 -0.04 7.03 6.91 3hvdE1 ASN 584 HD22 -0.02 -0.02 0.01 -0.04 7.74 7.67 3hvdE1 ALA 585 H -0.00 0.33 -0.12 -0.55 8.40 8.05 3hvdE1 ALA 585 HA 0.00 0.01 0.07 -0.75 4.34 3.67 3hvdE1 ALA 585 HB3 0.00 0.06 -0.14 -0.04 1.41 1.29 3hvdE1 LYS 586 H 0.01 0.64 0.04 -0.55 8.42 8.55 3hvdE1 LYS 586 HA 0.02 0.16 0.38 -0.75 4.32 4.13 3hvdE1 LYS 586 HB2 0.01 0.20 -0.04 -0.04 1.87 2.00 3hvdE1 LYS 586 HB3 0.01 -0.10 0.19 -0.04 1.79 1.85 3hvdE1 LYS 586 HG2 0.01 0.17 0.09 -0.04 1.46 1.70 3hvdE1 LYS 586 HG3 0.01 0.01 -0.28 -0.04 1.46 1.16 3hvdE1 LYS 586 HD2 0.01 -0.06 -0.04 -0.04 1.69 1.56 3hvdE1 LYS 586 HD3 0.01 -0.04 0.03 -0.04 1.68 1.63 3hvdE1 LYS 586 HE2 0.01 -0.09 0.01 -0.04 2.99 2.88 3hvdE1 LYS 586 HE3 0.01 0.04 0.07 -0.04 2.99 3.06 3hvdE1 MET 587 H 0.01 0.24 -0.33 -0.55 8.47 7.84 3hvdE1 MET 587 HA 0.02 -0.02 0.63 -0.75 4.52 4.40 3hvdE1 MET 587 HB2 0.01 0.16 0.13 -0.04 2.15 2.40 3hvdE1 MET 587 HB3 0.02 -0.02 -0.07 -0.04 2.03 1.92 3hvdE1 MET 587 HG2 -0.04 -0.08 0.06 -0.04 2.63 2.52 3hvdE1 MET 587 HG3 -0.03 0.07 -0.07 -0.04 2.56 2.50 3hvdE1 MET 587 HE3 -0.10 0.01 0.03 -0.04 2.10 2.00 3hvdE1 ASN 588 H 0.09 0.04 0.25 -0.55 8.53 8.36 3hvdE1 ASN 588 HA 0.10 0.41 1.07 -0.75 4.76 5.58 3hvdE1 ASN 588 HB2 0.11 -0.24 0.22 -0.04 2.88 2.92 3hvdE1 ASN 588 HB3 0.12 0.05 0.02 -0.04 2.79 2.95 3hvdE1 ASN 588 HD21 0.06 0.10 -0.01 -0.04 7.03 7.14 3hvdE1 ASN 588 HD22 0.08 -0.16 0.03 -0.04 7.74 7.65 3hvdE1 ILE 589 H 0.11 0.72 0.38 -0.55 8.25 8.90 3hvdE1 ILE 589 HA 0.25 0.28 1.10 -0.75 4.18 5.06 3hvdE1 ILE 589 HB 0.16 0.01 0.06 -0.04 1.89 2.09 3hvdE1 ILE 589 HG12 0.53 0.02 -0.21 -0.04 1.49 1.79 3hvdE1 ILE 589 HG13 0.20 -0.10 -0.50 -0.04 1.21 0.77 3hvdE1 ILE 589 HG23 0.30 -0.01 -0.16 -0.04 0.93 1.01 3hvdE1 ILE 589 HD13 0.14 -0.00 -0.16 -0.04 0.88 0.82 3hvdE1 LEU 590 H -0.14 0.55 0.34 -0.55 8.37 8.57 3hvdE1 LEU 590 HA -0.10 0.25 1.11 -0.75 4.35 4.86 3hvdE1 LEU 590 HB2 -0.05 0.02 -0.14 -0.04 1.64 1.43 3hvdE1 LEU 590 HB3 -0.13 -0.13 0.14 -0.04 1.64 1.47 3hvdE1 LEU 590 HG -0.18 -0.04 -0.33 -0.04 1.64 1.05 3hvdE1 LEU 590 HD13 -0.16 0.05 -0.08 -0.04 0.93 0.69 3hvdE1 LEU 590 HD23 -0.08 -0.01 -0.13 -0.04 0.89 0.63 3hvdE1 ILE 591 H -0.12 0.88 0.28 -0.55 8.25 8.74 3hvdE1 ILE 591 HA -0.30 0.61 1.10 -0.75 4.18 4.84 3hvdE1 ILE 591 HB -0.05 -0.02 0.15 -0.04 1.89 1.93 3hvdE1 ILE 591 HG12 -0.73 0.08 -0.12 -0.04 1.49 0.68 3hvdE1 ILE 591 HG13 -0.12 -0.10 -0.31 -0.04 1.21 0.64 3hvdE1 ILE 591 HG23 -0.31 -0.01 -0.18 -0.04 0.93 0.40 3hvdE1 ILE 591 HD13 -0.12 -0.01 -0.14 -0.04 0.88 0.57 3hvdE1 ARG 592 H -0.13 0.28 0.18 -0.55 8.46 8.23 3hvdE1 ARG 592 HA -0.14 0.07 0.92 -0.75 4.34 4.44 3hvdE1 ARG 592 HB2 -0.47 0.11 -0.08 -0.04 1.90 1.41 3hvdE1 ARG 592 HB3 -0.41 0.06 -0.11 -0.04 1.80 1.30 3hvdE1 ARG 592 HG2 -0.26 0.01 -0.18 -0.04 1.67 1.20 3hvdE1 ARG 592 HG3 -0.22 -0.06 -0.07 -0.04 1.67 1.28 3hvdE1 ARG 592 HD2 -1.43 0.05 -0.15 -0.04 3.22 1.64 3hvdE1 ARG 592 HD3 -0.50 0.03 -0.15 -0.04 3.22 2.56 3hvdE1 ASP 593 H 0.10 0.18 0.06 -0.55 8.40 8.18 3hvdE1 ASP 593 HA 0.02 0.15 0.54 -0.75 4.63 4.58 3hvdE1 ASP 593 HB2 0.13 0.08 0.09 -0.04 2.71 2.97 3hvdE1 ASP 593 HB3 0.18 0.01 0.13 -0.04 2.70 2.99 3hvdE1 LYS 594 H -0.10 0.73 0.38 -0.55 8.42 8.88 3hvdE1 LYS 594 HA 0.09 0.10 0.25 -0.75 4.32 4.00 3hvdE1 LYS 594 HB2 -0.07 0.03 0.01 -0.04 1.87 1.81 3hvdE1 LYS 594 HB3 -0.02 -0.05 -0.00 -0.04 1.79 1.68 3hvdE1 LYS 594 HG2 0.04 -0.03 -0.21 -0.04 1.46 1.22 3hvdE1 LYS 594 HG3 0.00 -0.01 -0.76 -0.04 1.46 0.66 3hvdE1 LYS 594 HD2 0.01 -0.06 -0.07 -0.04 1.69 1.53 3hvdE1 LYS 594 HD3 0.07 0.02 -0.20 -0.04 1.68 1.53 3hvdE1 LYS 594 HE2 -0.02 0.22 0.05 -0.04 2.99 3.20 3hvdE1 LYS 594 HE3 -0.04 -0.10 -0.03 -0.04 2.99 2.77 3hvdE1 ARG 595 H 0.05 0.07 -0.32 -0.55 8.46 7.71 3hvdE1 ARG 595 HA -0.14 0.04 0.33 -0.75 4.34 3.82 3hvdE1 ARG 595 HB2 -0.11 0.05 0.02 -0.04 1.90 1.82 3hvdE1 ARG 595 HB3 -0.37 -0.08 0.11 -0.04 1.80 1.42 3hvdE1 ARG 595 HG2 -0.11 -0.02 0.03 -0.04 1.67 1.52 3hvdE1 ARG 595 HG3 -0.08 0.00 0.05 -0.04 1.67 1.60 3hvdE1 ARG 595 HD2 -0.11 -0.03 0.03 -0.04 3.22 3.06 3hvdE1 ARG 595 HD3 -0.06 0.01 0.02 -0.04 3.22 3.15 3hvdE1 PHE 596 H 0.20 0.35 -0.41 -0.55 8.34 7.93 3hvdE1 PHE 596 HA -0.14 0.09 0.99 -0.75 4.62 4.80 3hvdE1 PHE 596 HB2 -0.36 0.05 0.01 -0.04 3.15 2.81 3hvdE1 PHE 596 HB3 -0.44 0.07 0.09 -0.04 3.06 2.74 3hvdE1 PHE 596 HD2 -0.07 0.03 -0.03 -0.04 7.28 7.17 3hvdE1 PHE 596 HE2 -0.03 -0.00 -0.04 -0.04 7.38 7.26 3hvdE1 PHE 596 HZ -0.02 -0.02 -0.06 -0.04 7.32 7.17 3hvdE1 HIS 597 H 0.06 0.38 -0.11 -0.55 8.41 8.20 3hvdE1 HIS 597 HA -0.04 0.15 0.65 -0.75 4.63 4.63 3hvdE1 HIS 597 HB2 -0.07 -0.18 -0.06 -0.04 3.26 2.92 3hvdE1 HIS 597 HB3 -0.03 0.09 -0.08 -0.04 3.20 3.14 3hvdE1 HIS 597 HD2 -0.01 0.05 -0.05 -0.04 6.97 6.92 3hvdE1 HIS 597 HE1 -0.05 -0.07 -0.35 -0.04 7.75 7.23 3hvdE1 TYR 598 H 0.19 0.19 0.16 -0.55 8.29 8.28 3hvdE1 TYR 598 HA 0.06 0.39 1.04 -0.75 4.56 5.29 3hvdE1 TYR 598 HB2 0.02 -0.01 -0.04 -0.04 3.06 2.99 3hvdE1 TYR 598 HB3 0.02 -0.08 -0.07 -0.04 2.98 2.81 3hvdE1 TYR 598 HD2 -0.00 -0.02 -0.45 -0.04 7.15 6.63 3hvdE1 TYR 598 HE2 -0.03 0.12 -0.12 -0.04 6.85 6.78 3hvdE1 ASP 599 H 0.16 0.20 0.16 -0.55 8.40 8.37 3hvdE1 ASP 599 HA 0.07 0.27 0.88 -0.75 4.63 5.10 3hvdE1 ASP 599 HB2 0.04 -0.06 0.19 -0.04 2.71 2.83 3hvdE1 ASP 599 HB3 0.05 0.11 -0.00 -0.04 2.70 2.81 3hvdE1 ARG 600 H 0.03 0.20 0.14 -0.55 8.46 8.28 3hvdE1 ARG 600 HA 0.03 0.12 0.36 -0.75 4.34 4.10 3hvdE1 ARG 600 HB2 0.02 0.01 0.07 -0.04 1.90 1.96 3hvdE1 ARG 600 HB3 0.01 0.03 0.05 -0.04 1.80 1.84 3hvdE1 ARG 600 HG2 0.02 0.02 0.04 -0.04 1.67 1.70 3hvdE1 ARG 600 HG3 0.02 -0.02 0.08 -0.04 1.67 1.71 3hvdE1 ARG 600 HD2 0.01 0.03 0.01 -0.04 3.22 3.22 3hvdE1 ARG 600 HD3 0.01 -0.00 0.01 -0.04 3.22 3.19 3hvdE1 ASN 601 H 0.04 0.02 -0.29 -0.55 8.53 7.75 3hvdE1 ASN 601 HA 0.01 0.22 0.64 -0.75 4.76 4.87 3hvdE1 ASN 601 HB2 0.03 -0.02 -0.04 -0.04 2.88 2.81 3hvdE1 ASN 601 HB3 0.02 0.02 0.07 -0.04 2.79 2.86 3hvdE1 ASN 601 HD21 0.00 0.04 -0.18 -0.04 7.03 6.85 3hvdE1 ASN 601 HD22 0.01 -0.06 -0.74 -0.04 7.74 6.91 3hvdE1 ASN 602 H 0.05 0.36 -0.55 -0.55 8.53 7.85 3hvdE1 ASN 602 HA 0.05 0.03 0.22 -0.75 4.76 4.30 3hvdE1 ASN 602 HB2 0.03 0.23 -0.22 -0.04 2.88 2.88 3hvdE1 ASN 602 HB3 -0.08 -0.06 0.15 -0.04 2.79 2.76 3hvdE1 ASN 602 HD21 0.03 -0.11 -0.10 -0.04 7.03 6.81 3hvdE1 ASN 602 HD22 0.10 0.42 -0.07 -0.04 7.74 8.15 3hvdE1 ILE 603 H 0.11 -0.16 -0.25 -0.55 8.25 7.40 3hvdE1 ILE 603 HA 0.09 0.28 0.88 -0.75 4.18 4.67 3hvdE1 ILE 603 HB 0.05 -0.16 -0.07 -0.04 1.89 1.67 3hvdE1 ILE 603 HG12 0.03 0.17 -0.18 -0.04 1.49 1.48 3hvdE1 ILE 603 HG13 0.04 -0.13 -0.33 -0.04 1.21 0.76 3hvdE1 ILE 603 HG23 0.03 0.07 -0.12 -0.04 0.93 0.86 3hvdE1 ILE 603 HD13 0.03 0.01 -0.10 -0.04 0.88 0.77 3hvdE1 ALA 604 H 0.05 0.25 0.13 -0.55 8.40 8.29 3hvdE1 ALA 604 HA -0.29 0.10 0.59 -0.75 4.34 3.99 3hvdE1 ALA 604 HB3 -0.15 0.03 0.12 -0.04 1.41 1.36 3hvdE1 VAL 605 H -0.09 0.65 0.45 -0.55 8.24 8.71 3hvdE1 VAL 605 HA -0.00 0.25 0.93 -0.75 4.13 4.55 3hvdE1 VAL 605 HB 0.01 -0.01 -0.14 -0.04 2.12 1.93 3hvdE1 VAL 605 HG13 -0.01 -0.07 0.00 -0.04 0.97 0.86 3hvdE1 VAL 605 HG23 0.03 0.13 -0.22 -0.04 0.95 0.86 3hvdE1 GLY 606 H 0.02 0.31 0.32 -0.55 8.43 8.53 3hvdE1 GLY 606 HA2 0.01 0.15 0.53 -0.51 4.01 4.20 3hvdE1 GLY 606 HA3 -0.05 0.02 0.42 -0.51 4.01 3.89 3hvdE1 ALA 607 H 0.01 0.32 0.24 -0.55 8.40 8.42 3hvdE1 ALA 607 HA 0.02 0.15 0.77 -0.75 4.34 4.53 3hvdE1 ALA 607 HB3 -0.21 0.03 -0.06 -0.04 1.41 1.13 3hvdE1 ASP 608 H -0.11 0.39 0.25 -0.55 8.40 8.38 3hvdE1 ASP 608 HA 0.12 0.13 0.70 -0.75 4.63 4.83 3hvdE1 ASP 608 HB2 -0.08 -0.04 0.19 -0.04 2.71 2.74 3hvdE1 ASP 608 HB3 -0.02 -0.06 0.11 -0.04 2.70 2.69 3hvdE1 GLU 609 H 0.01 0.21 0.19 -0.55 8.60 8.47 3hvdE1 GLU 609 HA 0.00 0.10 0.24 -0.75 4.29 3.87 3hvdE1 GLU 609 HB2 0.00 -0.03 0.16 -0.04 2.09 2.19 3hvdE1 GLU 609 HB3 0.00 0.06 0.04 -0.04 1.99 2.04 3hvdE1 GLU 609 HG2 0.00 0.03 0.07 -0.04 2.34 2.40 3hvdE1 GLU 609 HG3 -0.00 0.01 0.13 -0.04 2.34 2.43 3hvdE1 SER 610 H -0.02 0.07 -0.25 -0.55 8.46 7.72 3hvdE1 SER 610 HA -0.01 0.09 0.36 -0.75 4.49 4.18 3hvdE1 SER 610 HB2 -0.03 0.07 -0.04 -0.04 3.95 3.91 3hvdE1 SER 610 HB3 -0.02 0.04 0.07 -0.04 3.93 3.99 3hvdE1 VAL 611 H -0.06 0.18 -0.16 -0.55 8.24 7.65 3hvdE1 VAL 611 HA -0.07 0.06 0.51 -0.75 4.13 3.88 3hvdE1 VAL 611 HB -0.20 0.07 0.12 -0.04 2.12 2.06 3hvdE1 VAL 611 HG13 -0.31 0.01 -0.06 -0.04 0.97 0.57 3hvdE1 VAL 611 HG23 -0.17 -0.00 0.11 -0.04 0.95 0.85 3hvdE1 VAL 612 H -0.03 0.41 -0.19 -0.55 8.24 7.88 3hvdE1 VAL 612 HA 0.06 0.04 0.30 -0.75 4.13 3.78 3hvdE1 VAL 612 HB 0.04 0.10 0.04 -0.04 2.12 2.26 3hvdE1 VAL 612 HG13 0.15 0.00 -0.20 -0.04 0.97 0.89 3hvdE1 VAL 612 HG23 0.00 0.02 -0.17 -0.04 0.95 0.76 3hvdE1 LYS 613 H 0.04 0.63 -0.08 -0.55 8.42 8.45 3hvdE1 LYS 613 HA 0.12 0.09 0.41 -0.75 4.32 4.19 3hvdE1 LYS 613 HB2 0.01 0.00 0.14 -0.04 1.87 1.99 3hvdE1 LYS 613 HB3 0.02 -0.03 -0.02 -0.04 1.79 1.72 3hvdE1 LYS 613 HG2 0.00 0.31 0.07 -0.04 1.46 1.81 3hvdE1 LYS 613 HG3 0.02 0.13 0.03 -0.04 1.46 1.60 3hvdE1 LYS 613 HD2 -0.01 -0.10 -0.10 -0.04 1.69 1.44 3hvdE1 LYS 613 HD3 -0.01 -0.01 -0.04 -0.04 1.68 1.57 3hvdE1 LYS 613 HE2 -0.02 0.09 0.02 -0.04 2.99 3.04 3hvdE1 LYS 613 HE3 -0.00 -0.09 -0.02 -0.04 2.99 2.85 3hvdE1 GLU 614 H 0.02 0.55 -0.11 -0.55 8.60 8.51 3hvdE1 GLU 614 HA 0.02 0.01 0.40 -0.75 4.29 3.95 3hvdE1 GLU 614 HB2 -0.01 0.16 0.21 -0.04 2.09 2.41 3hvdE1 GLU 614 HB3 -0.01 0.05 0.09 -0.04 1.99 2.08 3hvdE1 GLU 614 HG2 -0.01 -0.03 0.03 -0.04 2.34 2.29 3hvdE1 GLU 614 HG3 -0.00 -0.01 0.03 -0.04 2.34 2.32 3hvdE1 ALA 615 H 0.02 0.42 -0.44 -0.55 8.40 7.85 3hvdE1 ALA 615 HA -0.05 0.01 0.42 -0.75 4.34 3.97 3hvdE1 ALA 615 HB3 -0.11 0.02 0.10 -0.04 1.41 1.38 3hvdE1 HIS 616 H 0.10 0.51 -0.59 -0.55 8.41 7.89 3hvdE1 HIS 616 HA 0.04 0.10 0.85 -0.75 4.63 4.85 3hvdE1 HIS 616 HB2 0.04 0.17 0.10 -0.04 3.26 3.53 3hvdE1 HIS 616 HB3 0.04 -0.05 0.11 -0.04 3.20 3.27 3hvdE1 HIS 616 HD2 0.01 -0.07 -0.09 -0.04 6.97 6.78 3hvdE1 HIS 616 HE1 0.13 -0.08 -0.13 -0.04 7.75 7.63 3hvdE1 ARG 617 H 0.05 0.40 -0.11 -0.55 8.46 8.25 3hvdE1 ARG 617 HA 0.05 0.06 0.33 -0.75 4.34 4.03 3hvdE1 ARG 617 HB2 0.03 0.01 0.15 -0.04 1.90 2.05 3hvdE1 ARG 617 HB3 0.02 0.06 0.12 -0.04 1.80 1.96 3hvdE1 ARG 617 HG2 0.00 -0.02 0.15 -0.04 1.67 1.76 3hvdE1 ARG 617 HG3 -0.00 -0.01 0.11 -0.04 1.67 1.72 3hvdE1 ARG 617 HD2 -0.00 0.00 0.04 -0.04 3.22 3.22 3hvdE1 ARG 617 HD3 -0.01 -0.04 0.03 -0.04 3.22 3.16 3hvdE1 GLU 618 H 0.04 0.10 -0.98 -0.55 8.60 7.22 3hvdE1 GLU 618 HA 0.03 0.20 0.93 -0.75 4.29 4.69 3hvdE1 GLU 618 HB2 0.01 0.06 0.12 -0.04 2.09 2.24 3hvdE1 GLU 618 HB3 0.02 -0.02 0.09 -0.04 1.99 2.03 3hvdE1 GLU 618 HG2 0.01 0.03 -0.07 -0.04 2.34 2.26 3hvdE1 GLU 618 HG3 0.01 -0.03 -0.26 -0.04 2.34 2.01 3hvdE1 VAL 619 H 0.05 0.24 -0.09 -0.55 8.24 7.89 3hvdE1 VAL 619 HA 0.06 0.03 0.54 -0.75 4.13 4.01 3hvdE1 VAL 619 HB 0.10 0.00 0.10 -0.04 2.12 2.28 3hvdE1 VAL 619 HG13 0.14 -0.03 -0.17 -0.04 0.97 0.87 3hvdE1 VAL 619 HG23 0.16 0.04 -0.03 -0.04 0.95 1.07 3hvdE1 ILE 620 H 0.03 0.37 0.43 -0.55 8.25 8.53 3hvdE1 ILE 620 HA 0.02 0.02 0.44 -0.75 4.18 3.91 3hvdE1 ILE 620 HB 0.01 0.31 0.18 -0.04 1.89 2.36 3hvdE1 ILE 620 HG12 0.02 0.01 -0.04 -0.04 1.49 1.44 3hvdE1 ILE 620 HG13 0.01 -0.03 -0.07 -0.04 1.21 1.08 3hvdE1 ILE 620 HG23 -0.00 -0.04 -0.05 -0.04 0.93 0.80 3hvdE1 ILE 620 HD13 0.01 -0.02 -0.08 -0.04 0.88 0.75 3hvdE1 ASN 621 H 0.02 0.26 0.06 -0.55 8.53 8.33 3hvdE1 ASN 621 HA 0.02 0.13 0.47 -0.75 4.76 4.63 3hvdE1 ASN 621 HB2 -0.00 0.12 -0.25 -0.04 2.88 2.70 3hvdE1 ASN 621 HB3 -0.01 -0.09 -0.05 -0.04 2.79 2.60 3hvdE1 ASN 621 HD21 -0.01 -0.02 -0.02 -0.04 7.03 6.94 3hvdE1 ASN 621 HD22 -0.03 -0.02 -0.05 -0.04 7.74 7.61 3hvdE1 SER 622 H 0.03 0.31 0.19 -0.55 8.46 8.44 3hvdE1 SER 622 HA -0.05 0.19 0.88 -0.75 4.49 4.76 3hvdE1 SER 622 HB2 0.02 0.04 0.05 -0.04 3.95 4.02 3hvdE1 SER 622 HB3 0.07 0.02 -0.06 -0.04 3.93 3.91 3hvdE1 SER 623 H -0.01 0.39 0.24 -0.55 8.46 8.53 3hvdE1 SER 623 HA 0.06 0.25 0.64 -0.75 4.49 4.68 3hvdE1 SER 623 HB2 0.04 -0.10 0.25 -0.04 3.95 4.11 3hvdE1 SER 623 HB3 0.02 0.17 -0.11 -0.04 3.93 3.97 3hvdE1 THR 624 H 0.08 0.19 0.20 -0.55 8.28 8.20 3hvdE1 THR 624 HA 0.18 0.25 0.78 -0.75 4.39 4.85 3hvdE1 THR 624 HB 0.11 -0.00 0.26 -0.04 4.32 4.65 3hvdE1 THR 624 HG23 0.08 0.02 0.05 -0.04 1.22 1.32 3hvdE1 GLU 625 H 0.08 0.04 -0.10 -0.55 8.60 8.08 3hvdE1 GLU 625 HA 0.14 0.13 0.81 -0.75 4.29 4.62 3hvdE1 GLU 625 HB2 0.06 0.04 0.02 -0.04 2.09 2.17 3hvdE1 GLU 625 HB3 0.12 0.03 0.02 -0.04 1.99 2.11 3hvdE1 GLU 625 HG2 0.07 0.02 -0.04 -0.04 2.34 2.35 3hvdE1 GLU 625 HG3 0.06 -0.08 -0.04 -0.04 2.34 2.24 3hvdE1 GLY 626 H -0.16 0.08 -0.09 -0.55 8.43 7.72 3hvdE1 GLY 626 HA2 -2.73 0.01 0.24 -0.51 4.01 1.02 3hvdE1 GLY 626 HA3 -0.87 0.45 0.84 -0.51 4.01 3.92 3hvdE1 LEU 627 H -0.67 0.34 0.30 -0.55 8.37 7.80 3hvdE1 LEU 627 HA -0.16 0.26 1.10 -0.75 4.35 4.79 3hvdE1 LEU 627 HB2 -0.30 -0.08 0.10 -0.04 1.64 1.33 3hvdE1 LEU 627 HB3 -0.17 0.07 0.04 -0.04 1.64 1.54 3hvdE1 LEU 627 HG -0.40 -0.06 -0.11 -0.04 1.64 1.03 3hvdE1 LEU 627 HD13 -0.46 0.01 -0.08 -0.04 0.93 0.36 3hvdE1 LEU 627 HD23 -0.60 0.03 -0.06 -0.04 0.89 0.21 3hvdE1 LEU 628 H 0.00 0.66 0.25 -0.55 8.37 8.74 3hvdE1 LEU 628 HA 0.14 0.31 1.10 -0.75 4.35 5.14 3hvdE1 LEU 628 HB2 0.04 -0.04 -0.04 -0.04 1.64 1.56 3hvdE1 LEU 628 HB3 0.01 -0.09 0.20 -0.04 1.64 1.72 3hvdE1 LEU 628 HG 0.01 0.04 -0.14 -0.04 1.64 1.52 3hvdE1 LEU 628 HD13 0.02 0.07 -0.13 -0.04 0.93 0.85 3hvdE1 LEU 628 HD23 -0.05 -0.02 -0.07 -0.04 0.89 0.71 3hvdE1 LEU 629 H 0.02 0.41 0.12 -0.55 8.37 8.37 3hvdE1 LEU 629 HA 0.03 0.05 0.93 -0.75 4.35 4.61 3hvdE1 LEU 629 HB2 0.03 -0.04 0.01 -0.04 1.64 1.60 3hvdE1 LEU 629 HB3 0.04 0.04 0.07 -0.04 1.64 1.75 3hvdE1 LEU 629 HG 0.02 -0.06 -0.14 -0.04 1.64 1.42 3hvdE1 LEU 629 HD13 -0.09 -0.01 -0.15 -0.04 0.93 0.64 3hvdE1 LEU 629 HD23 0.16 0.05 -0.02 -0.04 0.89 1.04 3hvdE1 ASN 630 H 0.02 0.45 0.20 -0.55 8.53 8.65 3hvdE1 ASN 630 HA 0.01 0.14 0.98 -0.75 4.76 5.13 3hvdE1 ASN 630 HB2 0.01 -0.00 0.07 -0.04 2.88 2.91 3hvdE1 ASN 630 HB3 0.01 -0.02 0.27 -0.04 2.79 3.01 3hvdE1 ASN 630 HD21 0.01 0.01 -0.04 -0.04 7.03 6.96 3hvdE1 ASN 630 HD22 0.00 -0.02 -0.20 -0.04 7.74 7.49 3hvdE1 ILE 631 H 0.00 0.09 0.02 -0.55 8.25 7.81 3hvdE1 ILE 631 HA -0.06 0.29 0.77 -0.75 4.18 4.42 3hvdE1 ILE 631 HB -0.00 -0.01 -0.05 -0.04 1.89 1.79 3hvdE1 ILE 631 HG12 -0.10 0.17 -0.04 -0.04 1.49 1.48 3hvdE1 ILE 631 HG13 0.01 -0.15 -0.08 -0.04 1.21 0.94 3hvdE1 ILE 631 HG23 -0.14 0.07 -0.05 -0.04 0.93 0.77 3hvdE1 ILE 631 HD13 0.10 -0.00 -0.09 -0.04 0.88 0.84 3hvdE1 ASP 632 H -0.03 0.18 0.21 -0.55 8.40 8.21 3hvdE1 ASP 632 HA 0.01 0.10 0.48 -0.75 4.63 4.46 3hvdE1 ASP 632 HB2 0.01 0.11 0.21 -0.04 2.71 3.00 3hvdE1 ASP 632 HB3 0.03 -0.12 0.24 -0.04 2.70 2.80 3hvdE1 LYS 633 H 0.01 0.21 0.26 -0.55 8.42 8.35 3hvdE1 LYS 633 HA 0.02 0.10 0.24 -0.75 4.32 3.92 3hvdE1 LYS 633 HB2 0.01 0.01 0.00 -0.04 1.87 1.85 3hvdE1 LYS 633 HB3 0.01 0.04 0.11 -0.04 1.79 1.91 3hvdE1 LYS 633 HG2 0.01 -0.09 0.20 -0.04 1.46 1.54 3hvdE1 LYS 633 HG3 0.01 0.01 0.07 -0.04 1.46 1.51 3hvdE1 LYS 633 HD2 0.01 -0.04 0.08 -0.04 1.69 1.70 3hvdE1 LYS 633 HD3 0.01 0.13 0.15 -0.04 1.68 1.93 3hvdE1 LYS 633 HE2 0.01 -0.08 0.06 -0.04 2.99 2.94 3hvdE1 LYS 633 HE3 0.01 0.24 0.23 -0.04 2.99 3.43 3hvdE1 ASP 634 H 0.01 -0.07 -0.57 -0.55 8.40 7.22 3hvdE1 ASP 634 HA -0.01 0.22 0.60 -0.75 4.63 4.69 3hvdE1 ASP 634 HB2 -0.00 -0.08 0.00 -0.04 2.71 2.59 3hvdE1 ASP 634 HB3 -0.05 0.10 -0.08 -0.04 2.70 2.64 3hvdE1 ILE 635 H 0.04 0.10 -0.04 -0.55 8.25 7.79 3hvdE1 ILE 635 HA 0.14 0.07 0.41 -0.75 4.18 4.05 3hvdE1 ILE 635 HB 0.04 0.05 0.18 -0.04 1.89 2.12 3hvdE1 ILE 635 HG12 0.37 -0.01 0.01 -0.04 1.49 1.82 3hvdE1 ILE 635 HG13 0.19 -0.01 0.03 -0.04 1.21 1.37 3hvdE1 ILE 635 HG23 0.05 -0.00 -0.24 -0.04 0.93 0.70 3hvdE1 ILE 635 HD13 0.05 -0.00 0.02 -0.04 0.88 0.91 3hvdE1 ARG 636 H 0.03 0.47 -0.33 -0.55 8.46 8.08 3hvdE1 ARG 636 HA 0.06 -0.03 0.27 -0.75 4.34 3.89 3hvdE1 ARG 636 HB2 0.07 -0.00 0.07 -0.04 1.90 2.00 3hvdE1 ARG 636 HB3 0.04 -0.06 -0.08 -0.04 1.80 1.65 3hvdE1 ARG 636 HG2 0.03 0.07 -0.19 -0.04 1.67 1.54 3hvdE1 ARG 636 HG3 0.03 0.07 -0.13 -0.04 1.67 1.61 3hvdE1 ARG 636 HD2 0.03 -0.03 -0.16 -0.04 3.22 3.02 3hvdE1 ARG 636 HD3 0.03 0.02 -0.05 -0.04 3.22 3.18 3hvdE1 LYS 637 H 0.03 0.41 -1.16 -0.55 8.42 7.14 3hvdE1 LYS 637 HA 0.01 0.19 0.82 -0.75 4.32 4.59 3hvdE1 LYS 637 HB2 -0.02 0.12 0.02 -0.04 1.87 1.95 3hvdE1 LYS 637 HB3 -0.01 -0.06 0.14 -0.04 1.79 1.82 3hvdE1 LYS 637 HG2 0.01 -0.03 -0.05 -0.04 1.46 1.36 3hvdE1 LYS 637 HG3 0.01 -0.01 -0.28 -0.04 1.46 1.13 3hvdE1 LYS 637 HD2 -0.00 -0.07 0.05 -0.04 1.69 1.63 3hvdE1 LYS 637 HD3 -0.03 0.08 0.15 -0.04 1.68 1.84 3hvdE1 LYS 637 HE2 -0.02 -0.02 0.04 -0.04 2.99 2.95 3hvdE1 LYS 637 HE3 -0.00 -0.06 0.03 -0.04 2.99 2.92 3hvdE1 ILE 638 H 0.04 0.33 0.07 -0.55 8.25 8.15 3hvdE1 ILE 638 HA 0.01 0.27 0.78 -0.75 4.18 4.49 3hvdE1 ILE 638 HB 0.05 -0.17 -0.08 -0.04 1.89 1.65 3hvdE1 ILE 638 HG12 0.15 0.22 0.08 -0.04 1.49 1.90 3hvdE1 ILE 638 HG13 0.09 -0.01 -0.15 -0.04 1.21 1.10 3hvdE1 ILE 638 HG23 0.04 0.08 -0.34 -0.04 0.93 0.67 3hvdE1 ILE 638 HD13 0.24 -0.05 -0.19 -0.04 0.88 0.85 3hvdE1 LEU 639 H 0.01 0.26 -0.30 -0.55 8.37 7.78 3hvdE1 LEU 639 HA -0.06 0.19 0.89 -0.75 4.35 4.62 3hvdE1 LEU 639 HB2 -0.03 0.06 0.01 -0.04 1.64 1.64 3hvdE1 LEU 639 HB3 -0.24 -0.03 -0.08 -0.04 1.64 1.24 3hvdE1 LEU 639 HG 0.03 0.03 -0.29 -0.04 1.64 1.36 3hvdE1 LEU 639 HD13 0.08 -0.09 -0.24 -0.04 0.93 0.64 3hvdE1 LEU 639 HD23 0.23 -0.01 -0.15 -0.04 0.89 0.93 3hvdE1 SER 640 H -0.06 0.60 0.17 -0.55 8.46 8.62 3hvdE1 SER 640 HA -0.01 0.12 0.46 -0.75 4.49 4.31 3hvdE1 SER 640 HB2 0.13 -0.01 0.02 -0.04 3.95 4.05 3hvdE1 SER 640 HB3 0.02 -0.02 -0.04 -0.04 3.93 3.86 3hvdE1 GLY 641 H -0.20 0.19 0.04 -0.55 8.43 7.91 3hvdE1 GLY 641 HA2 -0.18 0.03 0.28 -0.51 4.01 3.63 3hvdE1 GLY 641 HA3 -0.07 0.09 0.35 -0.51 4.01 3.86 3hvdE1 TYR 642 H 0.09 0.44 0.35 -0.55 8.29 8.62 3hvdE1 TYR 642 HA 0.03 0.27 1.16 -0.75 4.56 5.27 3hvdE1 TYR 642 HB2 0.02 -0.07 0.05 -0.04 3.06 3.02 3hvdE1 TYR 642 HB3 0.03 0.03 -0.00 -0.04 2.98 3.00 3hvdE1 TYR 642 HD2 -0.03 0.06 -0.19 -0.04 7.15 6.95 3hvdE1 TYR 642 HE2 -0.07 0.03 -0.14 -0.04 6.85 6.62 3hvdE1 ILE 643 H 0.19 0.38 0.18 -0.55 8.25 8.45 3hvdE1 ILE 643 HA 0.06 0.22 0.92 -0.75 4.18 4.62 3hvdE1 ILE 643 HB 0.08 -0.08 0.05 -0.04 1.89 1.90 3hvdE1 ILE 643 HG12 -0.02 0.10 -0.10 -0.04 1.49 1.43 3hvdE1 ILE 643 HG13 0.01 -0.03 -0.28 -0.04 1.21 0.87 3hvdE1 ILE 643 HG23 -0.04 -0.00 -0.30 -0.04 0.93 0.54 3hvdE1 ILE 643 HD13 -0.07 -0.00 -0.15 -0.04 0.88 0.61 3hvdE1 VAL 644 H 0.05 0.17 0.18 -0.55 8.24 8.09 3hvdE1 VAL 644 HA 0.04 0.33 1.05 -0.75 4.13 4.80 3hvdE1 VAL 644 HB -0.05 -0.10 0.14 -0.04 2.12 2.07 3hvdE1 VAL 644 HG13 -0.55 0.02 -0.08 -0.04 0.97 0.32 3hvdE1 VAL 644 HG23 0.20 0.02 -0.12 -0.04 0.95 1.01 3hvdE1 GLU 645 H -0.00 0.72 0.34 -0.55 8.60 9.11 3hvdE1 GLU 645 HA -0.04 0.11 0.84 -0.75 4.29 4.44 3hvdE1 GLU 645 HB2 -0.01 -0.03 -0.24 -0.04 2.09 1.77 3hvdE1 GLU 645 HB3 0.03 0.00 -0.43 -0.04 1.99 1.55 3hvdE1 GLU 645 HG2 0.31 -0.01 -0.16 -0.04 2.34 2.45 3hvdE1 GLU 645 HG3 0.08 -0.00 -0.53 -0.04 2.34 1.85 3hvdE1 ILE 646 H -0.06 0.47 0.24 -0.55 8.25 8.35 3hvdE1 ILE 646 HA -0.05 0.30 1.07 -0.75 4.18 4.75 3hvdE1 ILE 646 HB -0.12 -0.06 0.09 -0.04 1.89 1.76 3hvdE1 ILE 646 HG12 -0.11 0.07 -0.15 -0.04 1.49 1.25 3hvdE1 ILE 646 HG13 -0.10 -0.05 -0.16 -0.04 1.21 0.86 3hvdE1 ILE 646 HG23 -0.12 0.02 -0.09 -0.04 0.93 0.70 3hvdE1 ILE 646 HD13 -0.07 -0.00 -0.05 -0.04 0.88 0.72 3hvdE1 GLU 647 H -0.04 0.58 0.21 -0.55 8.60 8.81 3hvdE1 GLU 647 HA -0.07 0.40 1.05 -0.75 4.29 4.92 3hvdE1 GLU 647 HB2 0.02 -0.02 -0.17 -0.04 2.09 1.87 3hvdE1 GLU 647 HB3 0.03 -0.14 0.06 -0.04 1.99 1.90 3hvdE1 GLU 647 HG2 0.02 0.13 -0.17 -0.04 2.34 2.28 3hvdE1 GLU 647 HG3 0.00 0.13 -0.08 -0.04 2.34 2.35 3hvdE1 ASP 648 H -0.11 0.53 0.25 -0.55 8.40 8.52 3hvdE1 ASP 648 HA -0.36 0.10 0.58 -0.75 4.63 4.20 3hvdE1 ASP 648 HB2 -0.15 0.15 0.18 -0.04 2.71 2.84 3hvdE1 ASP 648 HB3 -0.03 -0.70 0.33 -0.04 2.70 2.26 3hvdE1 THR 649 H 0.56 0.14 0.16 -0.55 8.28 8.60 3hvdE1 THR 649 HA 0.13 0.16 0.33 -0.75 4.39 4.26 3hvdE1 THR 649 HB 0.05 0.06 0.08 -0.04 4.32 4.47 3hvdE1 THR 649 HG23 -0.02 0.02 -0.03 -0.04 1.22 1.15 3hvdE1 GLU 650 H 0.09 -0.19 -0.53 -0.55 8.60 7.42 3hvdE1 GLU 650 HA 0.03 0.27 0.91 -0.75 4.29 4.75 3hvdE1 GLU 650 HB2 0.04 0.01 -0.02 -0.04 2.09 2.08 3hvdE1 GLU 650 HB3 0.04 -0.11 0.02 -0.04 1.99 1.89 3hvdE1 GLU 650 HG2 0.02 -0.03 -0.14 -0.04 2.34 2.15 3hvdE1 GLU 650 HG3 0.02 0.07 0.07 -0.04 2.34 2.46 3hvdE1 GLY 651 H 0.02 -0.26 0.02 -0.55 8.43 7.66 3hvdE1 GLY 651 HA2 0.01 0.11 0.18 -0.51 4.01 3.80 3hvdE1 GLY 651 HA3 0.01 0.22 0.89 -0.51 4.01 4.62 3hvdE1 LEU 652 H -0.02 -0.19 0.19 -0.55 8.37 7.81 3hvdE1 LEU 652 HA -0.03 0.15 0.57 -0.75 4.35 4.29 3hvdE1 LEU 652 HB2 -0.08 -0.15 0.17 -0.04 1.64 1.53 3hvdE1 LEU 652 HB3 -0.07 0.08 0.02 -0.04 1.64 1.63 3hvdE1 LEU 652 HG -0.02 -0.06 0.04 -0.04 1.64 1.56 3hvdE1 LEU 652 HD13 -0.03 0.01 0.01 -0.04 0.93 0.88 3hvdE1 LEU 652 HD23 -0.02 0.04 0.01 -0.04 0.89 0.88 3hvdE1 LYS 653 H -0.04 0.18 0.12 -0.55 8.42 8.13 3hvdE1 LYS 653 HA -0.05 0.32 0.98 -0.75 4.32 4.81 3hvdE1 LYS 653 HB2 -0.04 -0.03 0.17 -0.04 1.87 1.93 3hvdE1 LYS 653 HB3 -0.04 0.00 -0.04 -0.04 1.79 1.68 3hvdE1 LYS 653 HG2 -0.02 0.10 -0.48 -0.04 1.46 1.02 3hvdE1 LYS 653 HG3 -0.02 -0.00 -0.05 -0.04 1.46 1.34 3hvdE1 LYS 653 HD2 0.02 -0.04 -0.13 -0.04 1.69 1.50 3hvdE1 LYS 653 HD3 0.01 0.04 -0.17 -0.04 1.68 1.52 3hvdE1 LYS 653 HE2 0.01 0.07 -0.09 -0.04 2.99 2.94 3hvdE1 LYS 653 HE3 0.01 -0.02 -0.07 -0.04 2.99 2.88 3hvdE1 GLU 654 H -0.07 0.55 0.17 -0.55 8.60 8.69 3hvdE1 GLU 654 HA -0.04 0.16 0.96 -0.75 4.29 4.61 3hvdE1 GLU 654 HB2 -0.07 -0.05 0.01 -0.04 2.09 1.94 3hvdE1 GLU 654 HB3 -0.08 -0.02 0.18 -0.04 1.99 2.03 3hvdE1 GLU 654 HG2 -0.03 0.07 -0.31 -0.04 2.34 2.03 3hvdE1 GLU 654 HG3 -0.03 0.02 -0.01 -0.04 2.34 2.28 3hvdE1 VAL 655 H -0.04 0.19 0.09 -0.55 8.24 7.94 3hvdE1 VAL 655 HA -0.03 0.08 0.66 -0.75 4.13 4.09 3hvdE1 VAL 655 HB -0.04 -0.05 0.09 -0.04 2.12 2.08 3hvdE1 VAL 655 HG13 -0.04 0.01 -0.36 -0.04 0.97 0.54 3hvdE1 VAL 655 HG23 -0.07 0.01 -0.13 -0.04 0.95 0.72 3hvdE1 ILE 656 H -0.03 0.43 0.30 -0.55 8.25 8.40 3hvdE1 ILE 656 HA -0.01 0.04 0.36 -0.75 4.18 3.82 3hvdE1 ILE 656 HB -0.02 -0.09 0.16 -0.04 1.89 1.90 3hvdE1 ILE 656 HG12 -0.10 -0.01 -0.18 -0.04 1.49 1.17 3hvdE1 ILE 656 HG13 -0.10 -0.01 -0.06 -0.04 1.21 1.01 3hvdE1 ILE 656 HG23 0.03 0.03 -0.13 -0.04 0.93 0.82 3hvdE1 ILE 656 HD13 -0.04 -0.02 -0.08 -0.04 0.88 0.70 3hvdE1 ASN 657 H 0.01 0.08 0.10 -0.55 8.53 8.17 3hvdE1 ASN 657 HA 0.03 0.27 0.90 -0.75 4.76 5.19 3hvdE1 ASN 657 HB2 -0.13 0.20 0.30 -0.04 2.88 3.21 3hvdE1 ASN 657 HB3 0.10 -0.02 0.18 -0.04 2.79 3.01 3hvdE1 ASN 657 HD21 0.08 0.06 0.26 -0.04 7.03 7.39 3hvdE1 ASN 657 HD22 0.04 0.13 0.23 -0.04 7.74 8.11 3hvdE1 ASP 658 H -0.01 0.43 -0.14 -0.55 8.40 8.14 3hvdE1 ASP 658 HA -0.03 0.06 0.29 -0.75 4.63 4.19 3hvdE1 ASP 658 HB2 -0.02 0.35 0.00 -0.04 2.71 3.00 3hvdE1 ASP 658 HB3 -0.01 0.02 0.19 -0.04 2.70 2.86 3hvdE1 ARG 659 H -0.08 0.48 -0.32 -0.55 8.46 8.00 3hvdE1 ARG 659 HA 0.03 0.58 0.84 -0.75 4.34 5.04 3hvdE1 ARG 659 HB2 -0.12 -0.01 -0.07 -0.04 1.90 1.66 3hvdE1 ARG 659 HB3 -0.12 -0.11 -0.04 -0.04 1.80 1.50 3hvdE1 ARG 659 HG2 0.03 0.06 0.03 -0.04 1.67 1.74 3hvdE1 ARG 659 HG3 -0.01 -0.04 -0.34 -0.04 1.67 1.24 3hvdE1 ARG 659 HD2 0.02 -0.00 -0.04 -0.04 3.22 3.16 3hvdE1 ARG 659 HD3 -0.02 0.02 -0.06 -0.04 3.22 3.12 3hvdE1 TYR 660 H 0.27 0.48 0.09 -0.55 8.29 8.58 3hvdE1 TYR 660 HA -0.06 0.02 0.21 -0.75 4.56 3.97 3hvdE1 TYR 660 HB2 -0.11 0.08 -0.03 -0.04 3.06 2.96 3hvdE1 TYR 660 HB3 -0.07 -0.00 -0.04 -0.04 2.98 2.82 3hvdE1 TYR 660 HD2 -0.10 0.13 -0.15 -0.04 7.15 6.99 3hvdE1 TYR 660 HE2 -0.08 0.12 -0.25 -0.04 6.85 6.60 3hvdE1 ASP 661 H -0.67 0.03 -0.50 -0.55 8.40 6.71 3hvdE1 ASP 661 HA -0.14 0.22 0.74 -0.75 4.63 4.70 3hvdE1 ASP 661 HB2 -0.30 -0.01 0.30 -0.04 2.71 2.65 3hvdE1 ASP 661 HB3 -0.89 0.14 -0.06 -0.04 2.70 1.85 3hvdE1 MET 662 H -0.28 0.62 -0.37 -0.55 8.47 7.90 3hvdE1 MET 662 HA -0.99 0.17 0.80 -0.75 4.52 3.74 3hvdE1 MET 662 HB2 -0.36 0.00 0.06 -0.04 2.15 1.82 3hvdE1 MET 662 HB3 -1.07 -0.01 0.21 -0.04 2.03 1.12 3hvdE1 MET 662 HG2 -0.31 0.08 -0.00 -0.04 2.63 2.36 3hvdE1 MET 662 HG3 -0.28 -0.11 -0.48 -0.04 2.56 1.65 3hvdE1 MET 662 HE3 0.18 0.01 0.07 -0.04 2.10 2.32 3hvdE1 LEU 663 H -0.23 0.12 -0.13 -0.55 8.37 7.58 3hvdE1 LEU 663 HA -0.08 0.30 0.78 -0.75 4.35 4.58 3hvdE1 LEU 663 HB2 -0.00 0.08 -0.05 -0.04 1.64 1.63 3hvdE1 LEU 663 HB3 -0.02 -0.17 -0.11 -0.04 1.64 1.30 3hvdE1 LEU 663 HG -0.04 0.02 -0.17 -0.04 1.64 1.40 3hvdE1 LEU 663 HD13 0.06 -0.01 -0.09 -0.04 0.93 0.85 3hvdE1 LEU 663 HD23 -0.03 -0.00 -0.26 -0.04 0.89 0.55 3hvdE1 ASN 664 H -0.11 0.06 -0.04 -0.55 8.53 7.89 3hvdE1 ASN 664 HA 0.01 0.13 0.56 -0.75 4.76 4.71 3hvdE1 ASN 664 HB2 0.02 0.05 0.15 -0.04 2.88 3.05 3hvdE1 ASN 664 HB3 -0.07 0.03 0.16 -0.04 2.79 2.87 3hvdE1 ASN 664 HD21 0.09 0.13 -0.02 -0.04 7.03 7.20 3hvdE1 ASN 664 HD22 0.02 0.00 0.05 -0.04 7.74 7.77 3hvdE1 ILE 665 H 0.10 0.47 0.40 -0.55 8.25 8.67 3hvdE1 ILE 665 HA 0.10 0.22 0.90 -0.75 4.18 4.64 3hvdE1 ILE 665 HB 0.03 0.05 0.31 -0.04 1.89 2.24 3hvdE1 ILE 665 HG12 0.17 0.15 0.23 -0.04 1.49 1.99 3hvdE1 ILE 665 HG13 0.09 -0.13 -0.11 -0.04 1.21 1.01 3hvdE1 ILE 665 HG23 0.24 -0.01 -0.11 -0.04 0.93 1.00 3hvdE1 ILE 665 HD13 0.16 -0.01 -0.05 -0.04 0.88 0.94 3hvdE1 SER 666 H 0.10 0.13 0.04 -0.55 8.46 8.19 3hvdE1 SER 666 HA -0.04 0.29 1.01 -0.75 4.49 5.00 3hvdE1 SER 666 HB2 0.21 0.03 -0.06 -0.04 3.95 4.09 3hvdE1 SER 666 HB3 0.42 -0.10 -0.01 -0.04 3.93 4.20 3hvdE1 SER 667 H 0.02 0.40 0.27 -0.55 8.46 8.59 3hvdE1 SER 667 HA 0.05 0.21 0.81 -0.75 4.49 4.80 3hvdE1 SER 667 HB2 0.07 -0.03 0.09 -0.04 3.95 4.04 3hvdE1 SER 667 HB3 0.06 0.04 0.01 -0.04 3.93 3.99 3hvdE1 LEU 668 H 0.05 0.22 0.13 -0.55 8.37 8.22 3hvdE1 LEU 668 HA 0.06 0.14 0.91 -0.75 4.35 4.70 3hvdE1 LEU 668 HB2 0.04 0.03 -0.13 -0.04 1.64 1.54 3hvdE1 LEU 668 HB3 0.03 -0.00 0.07 -0.04 1.64 1.69 3hvdE1 LEU 668 HG 0.02 0.11 -0.18 -0.04 1.64 1.55 3hvdE1 LEU 668 HD13 0.03 0.03 -0.37 -0.04 0.93 0.58 3hvdE1 LEU 668 HD23 0.02 0.00 -0.05 -0.04 0.89 0.82 3hvdE1 ARG 669 H 0.04 0.56 0.11 -0.55 8.46 8.62 3hvdE1 ARG 669 HA 0.01 0.12 0.52 -0.75 4.34 4.24 3hvdE1 GLN 670 H -0.01 0.15 0.17 -0.55 8.47 8.24 3hvdE1 GLN 670 HA -0.00 0.20 0.46 -0.75 4.36 4.26 3hvdE1 GLN 670 HB2 -0.01 0.05 0.14 -0.04 2.15 2.30 3hvdE1 GLN 670 HB3 -0.01 0.03 0.13 -0.04 2.02 2.14 3hvdE1 GLN 670 HG2 -0.02 -0.07 0.08 -0.04 2.40 2.35 3hvdE1 GLN 670 HG3 -0.01 0.04 -0.21 -0.04 2.39 2.16 3hvdE1 GLN 670 HE21 -0.01 0.01 -0.01 -0.04 6.97 6.92 3hvdE1 GLN 670 HE22 -0.02 -0.01 -0.03 -0.04 7.69 7.59 3hvdE1 ASP 671 H -0.01 0.00 -0.26 -0.55 8.40 7.58 3hvdE1 ASP 671 HA -0.00 0.26 0.85 -0.75 4.63 4.98 3hvdE1 ASP 671 HB2 -0.01 0.05 0.17 -0.04 2.71 2.88 3hvdE1 ASP 671 HB3 -0.01 0.01 0.04 -0.04 2.70 2.70 3hvdE1 GLY 672 H 0.00 0.40 -0.53 -0.55 8.43 7.76 3hvdE1 GLY 672 HA2 0.01 0.09 0.22 -0.51 4.01 3.82 3hvdE1 GLY 672 HA3 0.01 0.06 0.19 -0.51 4.01 3.75 3hvdE1 LYS 673 H 0.01 -0.08 -0.48 -0.55 8.42 7.31 3hvdE1 LYS 673 HA 0.02 0.17 0.97 -0.75 4.32 4.72 3hvdE1 LYS 673 HB2 0.00 -0.17 0.02 -0.04 1.87 1.68 3hvdE1 LYS 673 HB3 0.02 0.16 -0.04 -0.04 1.79 1.88 3hvdE1 LYS 673 HG2 0.01 0.05 0.00 -0.04 1.46 1.48 3hvdE1 LYS 673 HG3 0.00 0.11 -0.12 -0.04 1.46 1.41 3hvdE1 LYS 673 HD2 -0.01 -0.08 -0.05 -0.04 1.69 1.51 3hvdE1 LYS 673 HD3 0.00 0.03 -0.09 -0.04 1.68 1.58 3hvdE1 LYS 673 HE2 -0.00 -0.03 -0.03 -0.04 2.99 2.89 3hvdE1 LYS 673 HE3 0.00 0.01 -0.04 -0.04 2.99 2.92 3hvdE1 THR 674 H 0.03 0.14 0.22 -0.55 8.28 8.12 3hvdE1 THR 674 HA 0.07 0.17 0.66 -0.75 4.39 4.53 3hvdE1 THR 674 HB 0.04 -0.13 0.05 -0.04 4.32 4.23 3hvdE1 THR 674 HG23 0.07 0.03 -0.15 -0.04 1.22 1.12 3hvdE1 PHE 675 H 0.11 0.58 0.26 -0.55 8.34 8.74 3hvdE1 PHE 675 HA -0.10 0.32 1.12 -0.75 4.62 5.21 3hvdE1 PHE 675 HB2 -0.06 0.00 -0.07 -0.04 3.15 2.99 3hvdE1 PHE 675 HB3 -0.05 -0.05 0.05 -0.04 3.06 2.97 3hvdE1 PHE 675 HD2 -0.10 0.06 -0.20 -0.04 7.28 6.99 3hvdE1 PHE 675 HE2 -0.14 -0.08 -0.27 -0.04 7.38 6.85 3hvdE1 PHE 675 HZ -0.13 -0.05 -0.19 -0.04 7.32 6.91 3hvdE1 ILE 676 H -0.42 0.48 0.27 -0.55 8.25 8.04 3hvdE1 ILE 676 HA -0.39 0.22 0.81 -0.75 4.18 4.06 3hvdE1 ILE 676 HB -0.50 -0.17 0.19 -0.04 1.89 1.36 3hvdE1 ILE 676 HG12 -0.41 0.04 -0.11 -0.04 1.49 0.97 3hvdE1 ILE 676 HG13 -0.36 -0.02 -0.10 -0.04 1.21 0.69 3hvdE1 ILE 676 HG23 -0.22 -0.00 -0.22 -0.04 0.93 0.45 3hvdE1 ILE 676 HD13 -1.09 0.00 -0.11 -0.04 0.88 -0.35 3hvdE1 ASP 677 H -0.40 0.72 0.32 -0.55 8.40 8.49 3hvdE1 ASP 677 HA -0.72 0.18 0.88 -0.75 4.63 4.22 3hvdE1 ASP 677 HB2 -0.30 0.06 0.05 -0.04 2.71 2.48 3hvdE1 ASP 677 HB3 -0.12 0.04 0.22 -0.04 2.70 2.81 3hvdE1 PHE 678 H -0.25 0.82 0.36 -0.55 8.34 8.71 3hvdE1 PHE 678 HA -0.03 0.10 0.59 -0.75 4.62 4.53 3hvdE1 PHE 678 HB2 -0.01 0.05 -0.07 -0.04 3.15 3.08 3hvdE1 PHE 678 HB3 -0.01 -0.01 -0.07 -0.04 3.06 2.93 3hvdE1 PHE 678 HD2 -0.06 0.05 -0.41 -0.04 7.28 6.82 3hvdE1 PHE 678 HE2 -0.16 0.08 -0.14 -0.04 7.38 7.13 3hvdE1 PHE 678 HZ -0.32 0.01 -0.17 -0.04 7.32 6.80 3hvdE1 LYS 679 H 0.11 0.21 0.06 -0.55 8.42 8.24 3hvdE1 LYS 679 HA 0.09 0.19 0.26 -0.75 4.32 4.11 3hvdE1 LYS 679 HB2 0.06 0.03 -0.12 -0.04 1.87 1.80 3hvdE1 LYS 679 HB3 0.05 -0.02 -0.22 -0.04 1.79 1.56 3hvdE1 LYS 679 HG2 0.09 0.04 -0.42 -0.04 1.46 1.13 3hvdE1 LYS 679 HG3 0.11 -0.02 0.10 -0.04 1.46 1.61 3hvdE1 LYS 679 HD2 0.05 0.08 -0.19 -0.04 1.69 1.59 3hvdE1 LYS 679 HD3 0.07 -0.08 -0.06 -0.04 1.68 1.56 3hvdE1 LYS 679 HE2 0.11 -0.01 -0.04 -0.04 2.99 3.02 3hvdE1 LYS 679 HE3 0.06 0.03 -0.11 -0.04 2.99 2.94 3hvdE1 LYS 680 H 0.05 0.10 -0.93 -0.55 8.42 7.09 3hvdE1 LYS 680 HA -0.08 0.08 0.33 -0.75 4.32 3.89 3hvdE1 LYS 680 HB2 -0.02 -0.04 0.03 -0.04 1.87 1.80 3hvdE1 LYS 680 HB3 0.07 0.03 0.10 -0.04 1.79 1.95 3hvdE1 LYS 680 HG2 -0.61 0.02 -0.18 -0.04 1.46 0.65 3hvdE1 LYS 680 HG3 -0.33 -0.02 -0.06 -0.04 1.46 1.02 3hvdE1 LYS 680 HD2 -0.03 -0.07 0.02 -0.04 1.69 1.56 3hvdE1 LYS 680 HD3 0.08 0.05 0.07 -0.04 1.68 1.84 3hvdE1 LYS 680 HE2 0.02 0.02 -0.03 -0.04 2.99 2.95 3hvdE1 LYS 680 HE3 -0.16 -0.06 -0.02 -0.04 2.99 2.71 3hvdE1 TYR 681 H 0.18 0.17 -0.03 -0.55 8.29 8.06 3hvdE1 TYR 681 HA 0.01 0.23 0.72 -0.75 4.56 4.76 3hvdE1 TYR 681 HB2 0.02 -0.01 0.16 -0.04 3.06 3.18 3hvdE1 TYR 681 HB3 0.00 -0.03 0.25 -0.04 2.98 3.16 3hvdE1 TYR 681 HD2 -0.00 -0.01 -0.02 -0.04 7.15 7.07 3hvdE1 TYR 681 HE2 -0.02 0.05 -0.11 -0.04 6.85 6.73 3hvdE1 ASN 682 H 0.06 0.06 -0.90 -0.55 8.53 7.20 3hvdE1 ASN 682 HA 0.06 0.17 0.71 -0.75 4.76 4.94 3hvdE1 ASN 682 HB2 0.07 0.18 0.02 -0.04 2.88 3.11 3hvdE1 ASN 682 HB3 0.05 -0.07 0.14 -0.04 2.79 2.87 3hvdE1 ASN 682 HD21 0.06 -0.06 -0.00 -0.04 7.03 6.99 3hvdE1 ASN 682 HD22 0.07 0.40 -0.05 -0.04 7.74 8.12 3hvdE1 ASP 683 H 0.03 0.12 0.08 -0.55 8.40 8.08 3hvdE1 ASP 683 HA 0.01 0.28 0.85 -0.75 4.63 5.01 3hvdE1 ASP 683 HB2 0.02 -0.04 0.12 -0.04 2.71 2.77 3hvdE1 ASP 683 HB3 0.01 0.01 0.19 -0.04 2.70 2.87 3hvdE1 LYS 684 H 0.00 0.33 -0.27 -0.55 8.42 7.93 3hvdE1 LYS 684 HA 0.00 0.27 0.35 -0.75 4.32 4.19 3hvdE1 LYS 684 HB2 -0.00 0.09 -0.13 -0.04 1.87 1.79 3hvdE1 LYS 684 HB3 -0.00 -0.07 0.27 -0.04 1.79 1.95 3hvdE1 LYS 684 HG2 -0.02 0.01 0.06 -0.04 1.46 1.47 3hvdE1 LYS 684 HG3 -0.03 0.06 -0.01 -0.04 1.46 1.44 3hvdE1 LYS 684 HD2 -0.02 -0.01 -0.02 -0.04 1.69 1.60 3hvdE1 LYS 684 HD3 -0.01 -0.05 0.03 -0.04 1.68 1.61 3hvdE1 LYS 684 HE2 -0.03 -0.01 0.00 -0.04 2.99 2.91 3hvdE1 LYS 684 HE3 -0.04 0.05 0.00 -0.04 2.99 2.96 3hvdE1 LEU 685 H 0.03 -0.06 -0.30 -0.55 8.37 7.49 3hvdE1 LEU 685 HA 0.03 0.20 0.87 -0.75 4.35 4.70 3hvdE1 LEU 685 HB2 0.03 -0.11 0.00 -0.04 1.64 1.52 3hvdE1 LEU 685 HB3 0.03 0.02 0.03 -0.04 1.64 1.68 3hvdE1 LEU 685 HG 0.01 0.31 -0.26 -0.04 1.64 1.67 3hvdE1 LEU 685 HD13 0.00 -0.04 -0.01 -0.04 0.93 0.85 3hvdE1 LEU 685 HD23 0.01 0.02 0.01 -0.04 0.89 0.89 3hvdE1 PRO 686 HA 0.11 0.05 0.35 -0.51 4.44 4.44 3hvdE1 PRO 686 HB2 0.09 0.03 -0.14 -0.04 2.28 2.21 3hvdE1 PRO 686 HB3 0.09 -0.06 -0.02 -0.04 2.02 1.98 3hvdE1 PRO 686 HG2 0.05 0.04 0.02 -0.04 2.03 2.10 3hvdE1 PRO 686 HG3 0.05 0.03 0.02 -0.04 2.03 2.09 3hvdE1 PRO 686 HD2 0.04 0.10 0.15 -0.04 3.68 3.93 3hvdE1 PRO 686 HD3 0.04 0.21 0.18 -0.04 3.65 4.04 3hvdE1 LEU 687 H 0.14 0.42 0.20 -0.55 8.37 8.58 3hvdE1 LEU 687 HA 0.08 0.09 0.58 -0.75 4.35 4.34 3hvdE1 LEU 687 HB2 0.10 0.09 0.13 -0.04 1.64 1.92 3hvdE1 LEU 687 HB3 0.06 -0.08 0.21 -0.04 1.64 1.79 3hvdE1 LEU 687 HG -0.07 0.01 -0.03 -0.04 1.64 1.51 3hvdE1 LEU 687 HD13 -0.48 -0.01 -0.09 -0.04 0.93 0.30 3hvdE1 LEU 687 HD23 -0.06 0.01 -0.32 -0.04 0.89 0.48 3hvdE1 TYR 688 H 0.17 0.19 0.15 -0.55 8.29 8.26 3hvdE1 TYR 688 HA 0.04 0.10 0.64 -0.75 4.56 4.59 3hvdE1 TYR 688 HB2 0.03 0.04 -0.04 -0.04 3.06 3.05 3hvdE1 TYR 688 HB3 0.02 0.02 0.10 -0.04 2.98 3.08 3hvdE1 TYR 688 HD2 0.03 0.01 -0.08 -0.04 7.15 7.06 3hvdE1 TYR 688 HE2 0.04 0.00 -0.11 -0.04 6.85 6.74 3hvdE1 ILE 689 H -0.29 0.22 0.12 -0.55 8.25 7.75 3hvdE1 ILE 689 HA -0.27 0.18 0.99 -0.75 4.18 4.33 3hvdE1 ILE 689 HB -0.07 0.01 0.04 -0.04 1.89 1.82 3hvdE1 ILE 689 HG12 -0.05 0.06 -0.31 -0.04 1.49 1.15 3hvdE1 ILE 689 HG13 -0.03 0.07 -0.29 -0.04 1.21 0.92 3hvdE1 ILE 689 HG23 0.10 -0.14 -0.10 -0.04 0.93 0.74 3hvdE1 ILE 689 HD13 0.02 0.03 -0.10 -0.04 0.88 0.80 3hvdE1 SER 690 H -0.12 0.20 0.09 -0.55 8.46 8.09 3hvdE1 SER 690 HA -0.16 0.12 0.33 -0.75 4.49 4.02 3hvdE1 SER 690 HB2 0.10 0.04 0.08 -0.04 3.95 4.13 3hvdE1 SER 690 HB3 0.30 -0.03 0.08 -0.04 3.93 4.24 3hvdE1 ASN 691 H -0.06 0.07 -0.80 -0.55 8.53 7.20 3hvdE1 ASN 691 HA -0.16 0.21 0.62 -0.75 4.76 4.66 3hvdE1 ASN 691 HB2 -0.40 0.25 -0.17 -0.04 2.88 2.52 3hvdE1 ASN 691 HB3 -1.55 -0.09 -0.06 -0.04 2.79 1.05 3hvdE1 ASN 691 HD21 -0.27 0.06 -0.02 -0.04 7.03 6.76 3hvdE1 ASN 691 HD22 -0.68 -0.02 -0.02 -0.04 7.74 6.97 3hvdE1 PRO 692 HA 0.03 0.11 0.38 -0.51 4.44 4.45 3hvdE1 PRO 692 HB2 0.00 0.03 -0.01 -0.04 2.28 2.26 3hvdE1 PRO 692 HB3 0.08 0.07 0.06 -0.04 2.02 2.19 3hvdE1 PRO 692 HG2 -0.03 0.07 0.06 -0.04 2.03 2.09 3hvdE1 PRO 692 HG3 -0.00 0.10 0.05 -0.04 2.03 2.13 3hvdE1 PRO 692 HD2 -0.09 0.12 0.18 -0.04 3.68 3.85 3hvdE1 PRO 692 HD3 -0.06 0.22 0.11 -0.04 3.65 3.87 3hvdE1 ASN 693 H -0.16 0.01 -0.81 -0.55 8.53 7.02 3hvdE1 ASN 693 HA 0.16 0.14 0.86 -0.75 4.76 5.17 3hvdE1 ASN 693 HB2 -0.16 -0.03 -0.00 -0.04 2.88 2.66 3hvdE1 ASN 693 HB3 -0.00 0.03 0.09 -0.04 2.79 2.87 3hvdE1 ASN 693 HD21 -0.07 0.03 -0.02 -0.04 7.03 6.93 3hvdE1 ASN 693 HD22 -0.04 0.00 0.00 -0.04 7.74 7.66 3hvdE1 TYR 694 H -0.08 0.66 0.08 -0.55 8.29 8.40 3hvdE1 TYR 694 HA 0.00 0.12 0.61 -0.75 4.56 4.54 3hvdE1 TYR 694 HB2 -0.04 0.02 0.17 -0.04 3.06 3.17 3hvdE1 TYR 694 HB3 -0.03 0.06 -0.01 -0.04 2.98 2.97 3hvdE1 TYR 694 HD2 -0.05 0.02 0.09 -0.04 7.15 7.17 3hvdE1 TYR 694 HE2 -0.02 -0.21 0.05 -0.04 6.85 6.62 3hvdE1 LYS 695 H 0.12 0.23 0.18 -0.55 8.42 8.40 3hvdE1 LYS 695 HA 0.04 0.05 0.34 -0.75 4.32 3.99 3hvdE1 LYS 695 HB2 0.03 -0.03 0.01 -0.04 1.87 1.84 3hvdE1 LYS 695 HB3 0.01 0.03 -0.22 -0.04 1.79 1.57 3hvdE1 LYS 695 HG2 -0.01 -0.03 -0.19 -0.04 1.46 1.18 3hvdE1 LYS 695 HG3 0.04 0.06 -0.03 -0.04 1.46 1.48 3hvdE1 LYS 695 HD2 0.01 0.01 -0.06 -0.04 1.69 1.61 3hvdE1 LYS 695 HD3 0.02 0.01 -0.08 -0.04 1.68 1.59 3hvdE1 LYS 695 HE2 -0.01 -0.02 -0.15 -0.04 2.99 2.76 3hvdE1 LYS 695 HE3 -0.04 0.05 -0.12 -0.04 2.99 2.85 3hvdE1 VAL 696 H 0.07 0.46 0.07 -0.55 8.24 8.29 3hvdE1 VAL 696 HA -0.01 0.18 1.02 -0.75 4.13 4.56 3hvdE1 VAL 696 HB 0.17 0.01 0.15 -0.04 2.12 2.41 3hvdE1 VAL 696 HG13 -0.16 -0.00 -0.19 -0.04 0.97 0.57 3hvdE1 VAL 696 HG23 0.01 0.01 -0.12 -0.04 0.95 0.82 3hvdE1 ASN 697 H 0.00 0.70 0.25 -0.55 8.53 8.93 3hvdE1 ASN 697 HA 0.05 0.29 0.90 -0.75 4.76 5.24 3hvdE1 ASN 697 HB2 0.16 -0.04 -0.03 -0.04 2.88 2.93 3hvdE1 ASN 697 HB3 -0.17 0.01 -0.06 -0.04 2.79 2.54 3hvdE1 ASN 697 HD21 0.05 -0.01 -0.15 -0.04 7.03 6.88 3hvdE1 ASN 697 HD22 0.19 -0.00 -0.15 -0.04 7.74 7.74 3hvdE1 VAL 698 H -0.04 0.42 0.27 -0.55 8.24 8.33 3hvdE1 VAL 698 HA 0.07 0.28 0.95 -0.75 4.13 4.68 3hvdE1 VAL 698 HB 0.01 -0.07 0.02 -0.04 2.12 2.05 3hvdE1 VAL 698 HG13 -0.09 -0.00 -0.26 -0.04 0.97 0.57 3hvdE1 VAL 698 HG23 0.02 -0.00 -0.22 -0.04 0.95 0.71 3hvdE1 TYR 699 H 0.30 0.62 0.27 -0.55 8.29 8.93 3hvdE1 TYR 699 HA 0.03 0.29 1.03 -0.75 4.56 5.16 3hvdE1 TYR 699 HB2 0.02 -0.04 0.03 -0.04 3.06 3.03 3hvdE1 TYR 699 HB3 0.01 -0.03 -0.08 -0.04 2.98 2.84 3hvdE1 TYR 699 HD2 0.00 0.10 -0.38 -0.04 7.15 6.83 3hvdE1 TYR 699 HE2 -0.01 -0.01 -0.18 -0.04 6.85 6.61 3hvdE1 ALA 700 H 0.11 0.56 0.34 -0.55 8.40 8.87 3hvdE1 ALA 700 HA -0.06 0.25 1.02 -0.75 4.34 4.79 3hvdE1 ALA 700 HB3 0.02 -0.01 -0.03 -0.04 1.41 1.36 3hvdE1 VAL 701 H -0.21 0.53 0.26 -0.55 8.24 8.27 3hvdE1 VAL 701 HA -0.04 0.26 1.04 -0.75 4.13 4.64 3hvdE1 VAL 701 HB -0.07 -0.12 0.10 -0.04 2.12 1.99 3hvdE1 VAL 701 HG13 -0.04 0.05 -0.22 -0.04 0.97 0.72 3hvdE1 VAL 701 HG23 -0.03 0.04 -0.30 -0.04 0.95 0.62 3hvdE1 THR 702 H -0.04 0.17 0.12 -0.55 8.28 7.99 3hvdE1 THR 702 HA -0.03 0.40 0.75 -0.75 4.39 4.75 3hvdE1 THR 702 HB -0.04 0.15 0.31 -0.04 4.32 4.69 3hvdE1 THR 702 HG23 -0.02 -0.00 0.08 -0.04 1.22 1.23 3hvdE1 LYS 703 H -0.02 0.38 0.17 -0.55 8.42 8.40 3hvdE1 LYS 703 HA -0.02 0.03 0.36 -0.75 4.32 3.94 3hvdE1 LYS 703 HB2 -0.01 0.09 0.28 -0.04 1.87 2.19 3hvdE1 LYS 703 HB3 -0.01 0.01 0.02 -0.04 1.79 1.77 3hvdE1 LYS 703 HG2 0.01 -0.02 -0.06 -0.04 1.46 1.35 3hvdE1 LYS 703 HG3 -0.00 -0.10 -0.09 -0.04 1.46 1.23 3hvdE1 LYS 703 HD2 0.01 0.15 0.02 -0.04 1.69 1.83 3hvdE1 LYS 703 HD3 0.01 0.11 0.15 -0.04 1.68 1.91 3hvdE1 LYS 703 HE2 0.01 -0.07 -0.03 -0.04 2.99 2.86 3hvdE1 LYS 703 HE3 0.02 -0.02 -0.03 -0.04 2.99 2.92 3hvdE1 GLU 704 H -0.04 0.48 -0.00 -0.55 8.60 8.49 3hvdE1 GLU 704 HA -0.04 0.05 0.31 -0.75 4.29 3.87 3hvdE1 GLU 704 HB2 -0.06 -0.01 -0.00 -0.04 2.09 1.97 3hvdE1 GLU 704 HB3 -0.04 -0.04 -0.03 -0.04 1.99 1.84 3hvdE1 GLU 704 HG2 -0.08 0.21 -0.03 -0.04 2.34 2.40 3hvdE1 GLU 704 HG3 -0.10 0.02 -0.12 -0.04 2.34 2.10 3hvdE1 ASN 705 H -0.06 0.39 -0.64 -0.55 8.53 7.67 3hvdE1 ASN 705 HA -0.06 0.15 0.79 -0.75 4.76 4.88 3hvdE1 ASN 705 HB2 -0.06 0.02 0.11 -0.04 2.88 2.91 3hvdE1 ASN 705 HB3 -0.06 -0.09 0.23 -0.04 2.79 2.83 3hvdE1 ASN 705 HD21 -0.10 -0.05 -0.02 -0.04 7.03 6.81 3hvdE1 ASN 705 HD22 -0.07 0.04 0.03 -0.04 7.74 7.70 3hvdE1 THR 706 H -0.06 0.48 -0.09 -0.55 8.28 8.06 3hvdE1 THR 706 HA -0.08 0.01 0.59 -0.75 4.39 4.16 3hvdE1 THR 706 HB -0.10 -0.03 -0.01 -0.04 4.32 4.14 3hvdE1 THR 706 HG23 -0.03 -0.00 -0.13 -0.04 1.22 1.02 3hvdE1 ILE 707 H -0.12 0.11 0.15 -0.55 8.25 7.85 3hvdE1 ILE 707 HA -0.14 0.18 0.87 -0.75 4.18 4.34 3hvdE1 ILE 707 HB -0.09 -0.04 0.01 -0.04 1.89 1.73 3hvdE1 ILE 707 HG12 -0.10 0.09 -0.16 -0.04 1.49 1.28 3hvdE1 ILE 707 HG13 -0.08 -0.02 0.00 -0.04 1.21 1.07 3hvdE1 ILE 707 HG23 -0.20 -0.07 0.03 -0.04 0.93 0.64 3hvdE1 ILE 707 HD13 -0.09 -0.00 -0.12 -0.04 0.88 0.63 3hvdE1 ILE 708 H -0.17 0.15 0.13 -0.55 8.25 7.81 3hvdE1 ILE 708 HA -0.16 0.19 0.82 -0.75 4.18 4.27 3hvdE1 ILE 708 HB -0.13 0.05 0.06 -0.04 1.89 1.83 3hvdE1 ILE 708 HG12 -0.13 -0.08 0.04 -0.04 1.49 1.28 3hvdE1 ILE 708 HG13 -0.15 0.03 -0.11 -0.04 1.21 0.95 3hvdE1 ILE 708 HG23 -0.16 0.00 -0.16 -0.04 0.93 0.57 3hvdE1 ILE 708 HD13 -0.09 -0.00 -0.16 -0.04 0.88 0.59 3hvdE1 ASN 709 H -0.29 0.08 0.01 -0.55 8.53 7.78 3hvdE1 ASN 709 HA -0.34 0.16 0.64 -0.75 4.76 4.46 3hvdE1 ASN 709 HB2 -0.21 -0.07 -0.02 -0.04 2.88 2.54 3hvdE1 ASN 709 HB3 -0.21 0.06 0.06 -0.04 2.79 2.66 3hvdE1 ASN 709 HD21 -0.19 0.27 0.08 -0.04 7.03 7.14 3hvdE1 ASN 709 HD22 -0.15 -0.05 -0.02 -0.04 7.74 7.48 3hvdE1 PRO 710 HA -0.47 0.08 0.52 -0.51 4.44 4.06 3hvdE1 PRO 710 HB2 -0.14 0.08 -0.10 -0.04 2.28 2.08 3hvdE1 PRO 710 HB3 -0.13 -0.02 -0.19 -0.04 2.02 1.64 3hvdE1 PRO 710 HG2 -0.06 0.03 0.03 -0.04 2.03 1.98 3hvdE1 PRO 710 HG3 -0.09 -0.00 0.01 -0.04 2.03 1.91 3hvdE1 PRO 710 HD2 -0.20 0.11 0.19 -0.04 3.68 3.73 3hvdE1 PRO 710 HD3 -0.28 0.16 0.11 -0.04 3.65 3.59 3hvdE1 SER 711 H -0.16 0.45 0.16 -0.55 8.46 8.37 3hvdE1 SER 711 HA -0.13 0.17 0.25 -0.75 4.49 4.02 3hvdE1 SER 711 HB2 -0.08 -0.24 0.13 -0.04 3.95 3.72 3hvdE1 SER 711 HB3 -0.08 -0.19 0.22 -0.04 3.93 3.84 3hvdE1 GLU 712 H -0.07 0.06 0.12 -0.55 8.60 8.16 3hvdE1 GLU 712 HA -0.05 0.15 0.39 -0.75 4.29 4.03 3hvdE1 GLU 712 HB2 -0.04 -0.08 0.12 -0.04 2.09 2.05 3hvdE1 GLU 712 HB3 -0.04 0.06 0.09 -0.04 1.99 2.06 3hvdE1 GLU 712 HG2 -0.05 -0.10 0.18 -0.04 2.34 2.33 3hvdE1 GLU 712 HG3 -0.04 0.02 0.08 -0.04 2.34 2.36 3hvdE1 ASN 713 H -0.04 -0.04 -0.01 -0.55 8.53 7.89 3hvdE1 ASN 713 HA -0.02 0.11 0.39 -0.75 4.76 4.49 3hvdE1 ASN 713 HB2 -0.02 0.08 0.09 -0.04 2.88 2.98 3hvdE1 ASN 713 HB3 -0.02 0.06 0.12 -0.04 2.79 2.90 3hvdE1 ASN 713 HD21 -0.03 0.02 0.09 -0.04 7.03 7.06 3hvdE1 ASN 713 HD22 -0.02 0.12 0.05 -0.04 7.74 7.85 3hvdE1 GLY 714 H -0.03 -0.11 0.09 -0.55 8.43 7.83 3hvdE1 GLY 714 HA2 -0.03 0.27 0.31 -0.51 4.01 4.04 3hvdE1 GLY 714 HA3 -0.02 0.04 0.32 -0.51 4.01 3.84 3hvdE1 ASP 715 H -0.05 -0.03 0.04 -0.55 8.40 7.81 3hvdE1 ASP 715 HA -0.02 0.07 0.41 -0.75 4.63 4.33 3hvdE1 ASP 715 HB2 -0.04 -0.04 0.16 -0.04 2.71 2.75 3hvdE1 ASP 715 HB3 -0.06 0.01 0.19 -0.04 2.70 2.80 3hvdE1 THR 716 H 0.01 0.18 0.29 -0.55 8.28 8.21 3hvdE1 THR 716 HA 0.01 0.23 0.91 -0.75 4.39 4.78 3hvdE1 THR 716 HB 0.34 -0.09 0.22 -0.04 4.32 4.75 3hvdE1 THR 716 HG23 0.08 0.06 -0.06 -0.04 1.22 1.26 3hvdE1 SER 717 H -0.00 -0.09 0.05 -0.55 8.46 7.87 3hvdE1 SER 717 HA 0.01 0.55 0.57 -0.75 4.49 4.86 3hvdE1 SER 717 HB2 -0.02 0.05 0.15 -0.04 3.95 4.09 3hvdE1 SER 717 HB3 -0.01 0.02 0.17 -0.04 3.93 4.07 3hvdE1 THR 718 H -0.03 0.20 -0.01 -0.55 8.28 7.89 3hvdE1 THR 718 HA -0.02 0.20 0.40 -0.75 4.39 4.21 3hvdE1 THR 718 HB -0.06 0.05 0.02 -0.04 4.32 4.29 3hvdE1 THR 718 HG23 -0.03 0.03 -0.28 -0.04 1.22 0.89 3hvdE1 ASN 719 H -0.04 0.01 -0.58 -0.55 8.53 7.37 3hvdE1 ASN 719 HA -0.07 0.09 0.26 -0.75 4.76 4.29 3hvdE1 ASN 719 HB2 -0.04 -0.04 0.05 -0.04 2.88 2.81 3hvdE1 ASN 719 HB3 -0.04 -0.05 0.04 -0.04 2.79 2.70 3hvdE1 ASN 719 HD21 -0.04 0.02 -0.04 -0.04 7.03 6.93 3hvdE1 ASN 719 HD22 -0.04 -0.04 -0.03 -0.04 7.74 7.59 3hvdE1 GLY 720 H -0.05 0.08 -0.19 -0.55 8.43 7.73 3hvdE1 GLY 720 HA2 -0.05 0.14 0.39 -0.51 4.01 3.98 3hvdE1 GLY 720 HA3 -0.05 -0.04 0.28 -0.51 4.01 3.69 3hvdE1 ILE 721 H -0.07 0.37 -0.71 -0.55 8.25 7.29 3hvdE1 ILE 721 HA -0.06 0.18 0.80 -0.75 4.18 4.35 3hvdE1 ILE 721 HB -0.07 0.07 -0.02 -0.04 1.89 1.83 3hvdE1 ILE 721 HG12 -0.05 0.06 -0.11 -0.04 1.49 1.36 3hvdE1 ILE 721 HG13 -0.05 -0.17 -0.23 -0.04 1.21 0.72 3hvdE1 ILE 721 HG23 -0.05 0.07 -0.20 -0.04 0.93 0.70 3hvdE1 ILE 721 HD13 -0.01 -0.01 -0.09 -0.04 0.88 0.73 3hvdE1 LYS 722 H -0.05 0.25 0.15 -0.55 8.42 8.21 3hvdE1 LYS 722 HA -0.04 0.02 0.52 -0.75 4.32 4.07 3hvdE1 LYS 722 HB2 -0.05 0.06 0.21 -0.04 1.87 2.05 3hvdE1 LYS 722 HB3 -0.05 -0.05 0.06 -0.04 1.79 1.71 3hvdE1 LYS 722 HG2 -0.04 -0.01 0.01 -0.04 1.46 1.39 3hvdE1 LYS 722 HG3 -0.04 0.02 0.01 -0.04 1.46 1.41 3hvdE1 LYS 722 HD2 -0.05 0.04 0.01 -0.04 1.69 1.64 3hvdE1 LYS 722 HD3 -0.07 -0.03 -0.01 -0.04 1.68 1.54 3hvdE1 LYS 722 HE2 -0.03 0.00 -0.01 -0.04 2.99 2.91 3hvdE1 LYS 722 HE3 -0.05 -0.02 -0.01 -0.04 2.99 2.87 3hvdE1 ARG 723 H -0.03 0.18 0.25 -0.55 8.46 8.31 3hvdE1 ARG 723 HA 0.03 0.31 0.84 -0.75 4.34 4.77 3hvdE1 ARG 723 HB2 0.08 -0.09 -0.11 -0.04 1.90 1.74 3hvdE1 ARG 723 HB3 -0.10 0.08 -0.16 -0.04 1.80 1.57 3hvdE1 ARG 723 HG2 -0.12 0.11 0.18 -0.04 1.67 1.80 3hvdE1 ARG 723 HG3 -0.02 -0.09 0.02 -0.04 1.67 1.53 3hvdE1 ARG 723 HD2 -0.53 -0.05 -0.04 -0.04 3.22 2.56 3hvdE1 ARG 723 HD3 -1.43 -0.07 -0.12 -0.04 3.22 1.57 3hvdE1 ILE 724 H 0.09 0.52 0.32 -0.55 8.25 8.63 3hvdE1 ILE 724 HA 0.08 0.14 0.97 -0.75 4.18 4.61 3hvdE1 ILE 724 HB 0.04 -0.04 0.11 -0.04 1.89 1.95 3hvdE1 ILE 724 HG12 0.01 -0.01 -0.06 -0.04 1.49 1.39 3hvdE1 ILE 724 HG13 0.01 0.07 -0.06 -0.04 1.21 1.20 3hvdE1 ILE 724 HG23 0.02 0.04 -0.05 -0.04 0.93 0.89 3hvdE1 ILE 724 HD13 0.00 -0.01 -0.05 -0.04 0.88 0.77 3hvdE1 LEU 725 H 0.03 0.13 0.13 -0.55 8.37 8.11 3hvdE1 LEU 725 HA -0.47 0.11 0.55 -0.75 4.35 3.79 3hvdE1 LEU 725 HB2 -0.12 0.01 0.08 -0.04 1.64 1.56 3hvdE1 LEU 725 HB3 -0.09 -0.02 0.08 -0.04 1.64 1.57 3hvdE1 LEU 725 HG -0.18 -0.03 -0.22 -0.04 1.64 1.16 3hvdE1 LEU 725 HD13 -0.66 0.08 0.09 -0.04 0.93 0.40 3hvdE1 LEU 725 HD23 -0.11 -0.00 -0.07 -0.04 0.89 0.66 3hvdE1 ILE 726 H -0.21 0.59 0.50 -0.55 8.25 8.58 3hvdE1 ILE 726 HA -0.07 0.16 0.84 -0.75 4.18 4.35 3hvdE1 ILE 726 HB -0.15 0.05 -0.11 -0.04 1.89 1.65 3hvdE1 ILE 726 HG12 -0.77 -0.05 -0.18 -0.04 1.49 0.46 3hvdE1 ILE 726 HG13 -0.42 0.06 -0.08 -0.04 1.21 0.73 3hvdE1 ILE 726 HG23 -0.25 -0.02 -0.18 -0.04 0.93 0.44 3hvdE1 ILE 726 HD13 -0.04 0.12 -0.51 -0.04 0.88 0.42 3hvdE1 PHE 727 H -0.09 0.18 0.30 -0.55 8.34 8.19 3hvdE1 PHE 727 HA -0.08 0.13 0.56 -0.75 4.62 4.47 3hvdE1 PHE 727 HB2 -0.08 0.17 -0.23 -0.04 3.15 2.97 3hvdE1 PHE 727 HB3 -0.08 -0.11 -0.01 -0.04 3.06 2.82 3hvdE1 PHE 727 HD2 -0.03 0.16 -0.11 -0.04 7.28 7.26 3hvdE1 PHE 727 HE2 -0.01 0.06 0.02 -0.04 7.38 7.42 3hvdE1 PHE 727 HZ 0.00 0.01 -0.03 -0.04 7.32 7.26 3hvdE1 SER 728 H -0.94 0.16 -0.02 -0.55 8.46 7.10 3hvdE1 SER 728 HA -0.02 0.27 0.44 -0.75 4.49 4.43 3hvdE1 SER 728 HB2 -0.13 0.14 -0.11 -0.04 3.95 3.80 3hvdE1 SER 728 HB3 -0.17 -0.02 -0.07 -0.04 3.93 3.64 3hvdE1 LYS 729 H -0.15 0.31 0.17 -0.55 8.42 8.20 3hvdE1 LYS 729 HA -0.22 0.15 0.92 -0.75 4.32 4.41 3hvdE1 LYS 729 HB2 0.06 0.02 0.03 -0.04 1.87 1.93 3hvdE1 LYS 729 HB3 -0.12 0.03 -0.13 -0.04 1.79 1.53 3hvdE1 LYS 729 HG2 -1.11 -0.20 -0.16 -0.04 1.46 -0.05 3hvdE1 LYS 729 HG3 -0.35 0.05 -0.06 -0.04 1.46 1.07 3hvdE1 LYS 729 HD2 -0.26 0.02 0.01 -0.04 1.69 1.42 3hvdE1 LYS 729 HD3 -0.29 0.01 -0.05 -0.04 1.68 1.31 3hvdE1 LYS 729 HE2 -0.09 0.04 -0.01 -0.04 2.99 2.89 3hvdE1 LYS 729 HE3 -0.13 -0.01 -0.06 -0.04 2.99 2.75 3hvdE1 LYS 730 H -0.18 0.13 0.08 -0.55 8.42 7.89 3hvdE1 LYS 730 HA -0.03 0.10 0.23 -0.75 4.32 3.86 3hvdE1 LYS 730 HB2 -0.53 -0.06 0.06 -0.04 1.87 1.30 3hvdE1 LYS 730 HB3 -0.14 0.02 0.09 -0.04 1.79 1.72 3hvdE1 LYS 730 HG2 -0.02 0.09 -0.05 -0.04 1.46 1.44 3hvdE1 LYS 730 HG3 -0.11 -0.01 0.04 -0.04 1.46 1.34 3hvdE1 LYS 730 HD2 -0.07 -0.03 0.02 -0.04 1.69 1.58 3hvdE1 LYS 730 HD3 0.16 0.02 0.06 -0.04 1.68 1.88 3hvdE1 LYS 730 HE2 0.03 0.04 0.01 -0.04 2.99 3.04 3hvdE1 LYS 730 HE3 -0.01 -0.00 0.01 -0.04 2.99 2.95 3hvdE1 GLY 731 H 0.03 0.22 -0.09 -0.55 8.43 8.05 3hvdE1 GLY 731 HA2 0.04 0.09 0.33 -0.51 4.01 3.96 3hvdE1 GLY 731 HA3 0.06 -0.02 0.33 -0.51 4.01 3.87 3hvdE1 TYR 732 H 0.04 0.19 -0.07 -0.55 8.29 7.90 3hvdE1 TYR 732 HA 0.01 0.18 0.65 -0.75 4.56 4.65 3hvdE1 TYR 732 HB2 -0.00 0.02 0.11 -0.04 3.06 3.15 3hvdE1 TYR 732 HB3 -0.01 -0.03 0.07 -0.04 2.98 2.97 3hvdE1 TYR 732 HD2 -0.01 0.21 -0.03 -0.04 7.15 7.28 3hvdE1 TYR 732 HE2 -0.01 -0.00 -0.02 -0.04 6.85 6.78 3hvdE1 GLU 733 H -0.34 0.17 -0.54 -0.55 8.60 7.34 3hvdE1 GLU 733 HA -0.14 0.19 0.68 -0.75 4.29 4.27 3hvdE1 GLU 733 HB2 -0.27 -0.04 -0.00 -0.04 2.09 1.74 3hvdE1 GLU 733 HB3 -0.18 0.03 0.10 -0.04 1.99 1.89 3hvdE1 GLU 733 HG2 -0.43 0.08 -0.07 -0.04 2.34 1.88 3hvdE1 GLU 733 HG3 -1.08 -0.10 -0.06 -0.04 2.34 1.05 3hvdE1 ILE 734 H -0.01 0.22 -0.47 -0.55 8.25 7.44 3hvdE1 ILE 734 HA 0.12 0.05 0.11 -0.75 4.18 3.70 3hvdE1 ILE 734 HB 0.07 0.06 -0.02 -0.04 1.89 1.96 3hvdE1 ILE 734 HG12 0.20 -0.07 -0.10 -0.04 1.49 1.48 3hvdE1 ILE 734 HG13 0.06 0.20 -0.02 -0.04 1.21 1.42 3hvdE1 ILE 734 HG23 0.10 0.00 -0.19 -0.04 0.93 0.80 3hvdE1 ILE 734 HD13 0.10 -0.01 -0.08 -0.04 0.88 0.85