============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 54 rings ring int. center anis. iso. TYR 4 0.840 66.529 155.191 27.879 -99.200 -91.000 TYR 6 0.840 75.670 160.494 28.037 -99.200 -91.000 PHE 36 1.000 76.019 177.208 36.186 -99.200 -91.000 TRP 47 1.040 82.157 176.789 44.376 -99.200 -91.000 TRP6 47 1.020 80.814 178.413 45.530 -99.200 -91.000 HIS 65 0.900 89.909 173.962 64.246 -99.200 -91.000 HIS 75 0.900 99.559 183.919 71.103 -99.200 -91.000 TYR 80 0.840 105.280 173.155 76.206 -99.200 -91.000 TRP 82 1.040 110.109 176.292 71.227 -99.200 -91.000 TRP6 82 1.020 111.684 175.938 69.511 -99.200 -91.000 TRP 92 1.040 90.476 187.802 55.369 -99.200 -91.000 TRP6 92 1.020 89.496 185.966 56.513 -99.200 -91.000 HIS 93 0.900 93.301 191.398 52.760 -99.200 -91.000 HIS 102 0.900 94.488 172.042 49.371 -99.200 -91.000 TRP 108 1.040 95.051 171.063 36.186 -99.200 -91.000 TRP6 108 1.020 93.898 171.586 34.161 -99.200 -91.000 TYR 121 0.840 82.956 169.534 34.515 -99.200 -91.000 PHE 128 1.000 65.303 164.552 36.280 -99.200 -91.000 HIS 132 0.900 63.277 156.411 31.488 -99.200 -91.000 PHE 150 1.000 68.110 161.263 33.770 -99.200 -91.000 TYR 160 0.840 71.861 185.332 51.551 -99.200 -91.000 TYR 169 0.840 72.878 196.789 52.975 -99.200 -91.000 PHE 177 1.000 84.996 178.773 54.598 -99.200 -91.000 TYR 193 0.840 78.454 171.241 60.474 -99.200 -91.000 PHE 201 1.000 86.935 180.192 60.205 -99.200 -91.000 TYR 207 0.840 89.816 189.446 61.438 -99.200 -91.000 PHE 221 1.000 76.153 167.971 66.342 -99.200 -91.000 PHE 240 1.000 78.098 181.269 72.096 -99.200 -91.000 TYR 261 0.840 70.930 192.305 68.952 -99.200 -91.000 TYR 274 0.840 77.282 192.877 65.258 -99.200 -91.000 TRP 279 1.040 72.607 186.623 56.409 -99.200 -91.000 TRP6 279 1.020 71.760 187.759 58.294 -99.200 -91.000 TYR 318 0.840 68.317 154.385 41.702 -99.200 -91.000 TYR 325 0.840 62.800 164.290 55.641 -99.200 -91.000 TYR 346 0.840 75.537 151.337 35.812 -99.200 -91.000 TYR 355 0.840 72.421 156.956 54.427 -99.200 -91.000 PHE 363 1.000 87.130 169.155 62.255 -99.200 -91.000 TYR 368 0.840 80.251 167.072 70.738 -99.200 -91.000 PHE 382 1.000 68.146 151.265 73.624 -99.200 -91.000 PHE 390 1.000 80.190 152.887 82.419 -99.200 -91.000 HIS 391 0.900 79.989 162.049 84.565 -99.200 -91.000 TYR 393 0.840 84.372 168.011 83.601 -99.200 -91.000 TYR 394 0.840 90.170 164.987 78.272 -99.200 -91.000 PHE 399 1.000 94.655 171.579 76.606 -99.200 -91.000 PHE 400 1.000 98.823 168.465 83.594 -99.200 -91.000 TYR 408 0.840 84.006 175.071 79.684 -99.200 -91.000 TYR 410 0.840 81.592 165.591 80.572 -99.200 -91.000 HIS 418 0.900 71.133 146.069 84.464 -99.200 -91.000 TYR 424 0.840 72.556 151.371 73.932 -99.200 -91.000 HIS 427 0.900 77.894 162.034 72.741 -99.200 -91.000 TYR 428 0.840 88.414 164.013 73.007 -99.200 -91.000 PHE 440 1.000 88.041 155.038 71.464 -99.200 -91.000 HIS 460 0.900 100.418 157.816 80.404 -99.200 -91.000 PHE 467 1.000 85.982 158.596 74.108 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3dh9A1 GLN 5 HA 0.02 -0.12 0.22 -0.75 4.36 3.72 3dh9A1 GLN 5 HB2 0.02 0.00 0.06 -0.04 2.15 2.20 3dh9A1 GLN 5 HB3 0.03 -0.00 0.10 -0.04 2.02 2.10 3dh9A1 GLN 5 HG2 -0.01 0.03 -0.30 -0.04 2.40 2.08 3dh9A1 GLN 5 HG3 0.00 -0.01 -0.03 -0.04 2.39 2.31 3dh9A1 GLN 5 HE21 0.00 -0.01 -0.02 -0.04 6.97 6.90 3dh9A1 GLN 5 HE22 -0.00 -0.00 -0.03 -0.04 7.69 7.62 3dh9A1 GLY 6 H -0.05 0.09 -0.03 -0.55 8.43 7.88 3dh9A1 GLY 6 HA2 -0.11 0.02 0.45 -0.51 4.01 3.86 3dh9A1 GLY 6 HA3 -0.18 0.10 0.31 -0.51 4.01 3.73 3dh9A1 SER 7 H -0.28 0.13 0.00 -0.55 8.46 7.77 3dh9A1 SER 7 HA -0.12 -0.03 0.39 -0.75 4.49 3.98 3dh9A1 SER 7 HB2 -0.10 -0.08 -0.18 -0.04 3.95 3.56 3dh9A1 SER 7 HB3 -0.14 0.11 0.28 -0.04 3.93 4.14 3dh9A1 TYR 8 H 0.07 0.16 0.09 -0.55 8.29 8.06 3dh9A1 TYR 8 HA 0.02 0.16 0.69 -0.75 4.56 4.68 3dh9A1 TYR 8 HB2 0.07 0.12 -0.15 -0.04 3.06 3.05 3dh9A1 TYR 8 HB3 0.09 -0.12 -0.32 -0.04 2.98 2.59 3dh9A1 TYR 8 HD2 0.09 -0.04 -0.10 -0.04 7.15 7.07 3dh9A1 TYR 8 HE2 -0.01 0.01 -0.08 -0.04 6.85 6.73 3dh9A1 ASP 9 H 0.13 0.05 0.12 -0.55 8.40 8.15 3dh9A1 ASP 9 HA -0.16 0.08 0.51 -0.75 4.63 4.30 3dh9A1 ASP 9 HB2 0.03 0.12 0.16 -0.04 2.71 2.98 3dh9A1 ASP 9 HB3 -0.36 0.01 0.09 -0.04 2.70 2.41 3dh9A1 TYR 10 H 0.14 0.31 -0.03 -0.55 8.29 8.17 3dh9A1 TYR 10 HA -0.00 0.20 0.85 -0.75 4.56 4.85 3dh9A1 TYR 10 HB2 -0.09 -0.03 -0.13 -0.04 3.06 2.77 3dh9A1 TYR 10 HB3 -0.07 0.18 0.09 -0.04 2.98 3.14 3dh9A1 TYR 10 HD2 -0.03 0.05 -0.29 -0.04 7.15 6.83 3dh9A1 TYR 10 HE2 -0.01 -0.01 -0.12 -0.04 6.85 6.67 3dh9A1 ASP 11 H 0.09 0.48 0.37 -0.55 8.40 8.80 3dh9A1 ASP 11 HA 0.13 0.02 0.74 -0.75 4.63 4.76 3dh9A1 ASP 11 HB2 -0.08 0.03 0.25 -0.04 2.71 2.87 3dh9A1 ASP 11 HB3 0.13 0.06 0.06 -0.04 2.70 2.91 3dh9A1 LEU 12 H 0.05 0.46 0.17 -0.55 8.37 8.50 3dh9A1 LEU 12 HA -0.04 0.36 0.86 -0.75 4.35 4.78 3dh9A1 LEU 12 HB2 0.21 0.06 -0.20 -0.04 1.64 1.67 3dh9A1 LEU 12 HB3 -0.03 -0.04 -0.04 -0.04 1.64 1.49 3dh9A1 LEU 12 HG -0.04 -0.04 -0.46 -0.04 1.64 1.06 3dh9A1 LEU 12 HD13 0.03 0.04 -0.20 -0.04 0.93 0.75 3dh9A1 LEU 12 HD23 0.06 -0.01 -0.18 -0.04 0.89 0.71 3dh9A1 ILE 13 H -0.37 0.64 0.29 -0.55 8.25 8.26 3dh9A1 ILE 13 HA -0.24 0.25 0.81 -0.75 4.18 4.24 3dh9A1 ILE 13 HB -0.78 0.02 -0.00 -0.04 1.89 1.08 3dh9A1 ILE 13 HG12 -0.46 -0.03 -0.07 -0.04 1.49 0.89 3dh9A1 ILE 13 HG13 -0.28 -0.03 -0.42 -0.04 1.21 0.44 3dh9A1 ILE 13 HG23 -0.11 -0.03 -0.29 -0.04 0.93 0.46 3dh9A1 ILE 13 HD13 -0.10 0.01 -0.39 -0.04 0.88 0.36 3dh9A1 VAL 14 H -0.09 0.67 0.31 -0.55 8.24 8.58 3dh9A1 VAL 14 HA 0.05 0.20 0.97 -0.75 4.13 4.59 3dh9A1 VAL 14 HB -0.01 -0.07 0.19 -0.04 2.12 2.19 3dh9A1 VAL 14 HG13 0.04 0.04 -0.06 -0.04 0.97 0.95 3dh9A1 VAL 14 HG23 -0.01 0.02 -0.12 -0.04 0.95 0.81 3dh9A1 ILE 15 H 0.09 0.70 0.36 -0.55 8.25 8.85 3dh9A1 ILE 15 HA 0.03 0.10 1.01 -0.75 4.18 4.57 3dh9A1 ILE 15 HB 0.07 -0.13 0.23 -0.04 1.89 2.02 3dh9A1 ILE 15 HG12 0.02 0.00 -0.27 -0.04 1.49 1.21 3dh9A1 ILE 15 HG13 0.14 0.10 -0.18 -0.04 1.21 1.23 3dh9A1 ILE 15 HG23 -0.00 0.01 -0.05 -0.04 0.93 0.85 3dh9A1 ILE 15 HD13 -0.18 0.01 -0.17 -0.04 0.88 0.51 3dh9A1 GLY 16 H 0.06 0.72 0.24 -0.55 8.43 8.90 3dh9A1 GLY 16 HA2 0.08 -0.07 0.48 -0.51 4.01 4.00 3dh9A1 GLY 16 HA3 0.07 0.20 0.68 -0.51 4.01 4.45 3dh9A1 GLY 17 H 0.08 0.10 0.13 -0.55 8.43 8.19 3dh9A1 GLY 17 HA2 0.02 0.21 0.73 -0.51 4.01 4.45 3dh9A1 GLY 17 HA3 0.01 0.07 0.27 -0.51 4.01 3.85 3dh9A1 GLY 18 H 0.05 0.14 -0.23 -0.55 8.43 7.84 3dh9A1 GLY 18 HA2 0.04 0.32 0.27 -0.51 4.01 4.13 3dh9A1 GLY 18 HA3 0.06 -0.13 0.32 -0.51 4.01 3.76 3dh9A1 SER 19 H 0.04 0.04 0.16 -0.55 8.46 8.15 3dh9A1 SER 19 HA 0.01 0.20 0.06 -0.75 4.49 4.00 3dh9A1 SER 19 HB2 0.03 -0.09 0.15 -0.04 3.95 4.01 3dh9A1 SER 19 HB3 0.02 0.14 0.05 -0.04 3.93 4.09 3dh9A1 ALA 20 H 0.04 -0.05 -0.12 -0.55 8.40 7.73 3dh9A1 ALA 20 HA 0.03 0.30 0.24 -0.75 4.34 4.16 3dh9A1 ALA 20 HB3 0.06 -0.01 -0.08 -0.04 1.41 1.34 3dh9A1 GLY 21 H 0.04 -0.11 -0.27 -0.55 8.43 7.55 3dh9A1 GLY 21 HA2 0.04 0.10 0.22 -0.51 4.01 3.86 3dh9A1 GLY 21 HA3 0.04 0.37 0.24 -0.51 4.01 4.15 3dh9A1 LEU 22 H 0.01 0.40 -0.22 -0.55 8.37 8.01 3dh9A1 LEU 22 HA -0.02 0.08 0.42 -0.75 4.35 4.08 3dh9A1 LEU 22 HB2 -0.02 0.27 -0.05 -0.04 1.64 1.80 3dh9A1 LEU 22 HB3 -0.03 0.03 -0.18 -0.04 1.64 1.42 3dh9A1 LEU 22 HG -0.07 0.05 -0.08 -0.04 1.64 1.50 3dh9A1 LEU 22 HD13 -0.06 -0.04 -0.10 -0.04 0.93 0.69 3dh9A1 LEU 22 HD23 -0.07 0.00 -0.13 -0.04 0.89 0.65 3dh9A1 ALA 23 H -0.00 0.30 -0.30 -0.55 8.40 7.86 3dh9A1 ALA 23 HA -0.01 0.03 0.43 -0.75 4.34 4.03 3dh9A1 ALA 23 HB3 -0.00 0.00 0.15 -0.04 1.41 1.53 3dh9A1 CYS 24 H 0.01 0.45 -0.43 -0.55 8.50 7.97 3dh9A1 CYS 24 HA 0.01 0.13 0.13 -0.75 4.58 4.10 3dh9A1 CYS 24 HB2 0.02 -0.08 0.06 -0.04 2.97 2.93 3dh9A1 CYS 24 HB3 0.02 0.05 0.08 -0.04 2.97 3.08 3dh9A1 ALA 25 H -0.00 0.65 -0.03 -0.55 8.40 8.47 3dh9A1 ALA 25 HA -0.02 0.02 0.32 -0.75 4.34 3.91 3dh9A1 ALA 25 HB3 -0.02 -0.01 -0.00 -0.04 1.41 1.34 3dh9A1 LYS 26 H -0.02 0.54 -0.18 -0.55 8.42 8.21 3dh9A1 LYS 26 HA -0.03 0.06 0.32 -0.75 4.32 3.92 3dh9A1 LYS 26 HB2 -0.02 0.06 0.10 -0.04 1.87 1.97 3dh9A1 LYS 26 HB3 -0.03 -0.01 -0.05 -0.04 1.79 1.66 3dh9A1 LYS 26 HG2 -0.04 0.02 -0.04 -0.04 1.46 1.36 3dh9A1 LYS 26 HG3 -0.03 0.01 0.01 -0.04 1.46 1.41 3dh9A1 LYS 26 HD2 -0.04 0.01 -0.09 -0.04 1.69 1.54 3dh9A1 LYS 26 HD3 -0.05 -0.06 -0.11 -0.04 1.68 1.42 3dh9A1 LYS 26 HE2 -0.03 0.04 -0.35 -0.04 2.99 2.61 3dh9A1 LYS 26 HE3 -0.03 0.03 -0.08 -0.04 2.99 2.88 3dh9A1 GLU 27 H -0.01 0.53 -0.11 -0.55 8.60 8.46 3dh9A1 GLU 27 HA -0.00 0.02 0.49 -0.75 4.29 4.04 3dh9A1 GLU 27 HB2 -0.00 -0.05 0.14 -0.04 2.09 2.13 3dh9A1 GLU 27 HB3 0.01 0.09 0.14 -0.04 1.99 2.19 3dh9A1 GLU 27 HG2 0.01 0.17 0.05 -0.04 2.34 2.53 3dh9A1 GLU 27 HG3 0.02 -0.01 -0.10 -0.04 2.34 2.21 3dh9A1 ALA 28 H -0.00 0.38 -0.49 -0.55 8.40 7.74 3dh9A1 ALA 28 HA 0.08 0.06 0.39 -0.75 4.34 4.12 3dh9A1 ALA 28 HB3 -0.03 0.02 0.04 -0.04 1.41 1.40 3dh9A1 VAL 29 H -0.06 0.46 0.04 -0.55 8.24 8.14 3dh9A1 VAL 29 HA -0.10 0.15 0.59 -0.75 4.13 4.02 3dh9A1 VAL 29 HB -0.04 0.04 0.09 -0.04 2.12 2.17 3dh9A1 VAL 29 HG13 -0.04 0.08 -0.05 -0.04 0.97 0.93 3dh9A1 VAL 29 HG23 -0.05 0.02 0.01 -0.04 0.95 0.90 3dh9A1 LEU 30 H -0.03 0.41 -0.29 -0.55 8.37 7.91 3dh9A1 LEU 30 HA -0.02 0.04 0.43 -0.75 4.35 4.04 3dh9A1 LEU 30 HB2 -0.02 0.05 0.11 -0.04 1.64 1.74 3dh9A1 LEU 30 HB3 -0.01 0.13 0.08 -0.04 1.64 1.80 3dh9A1 LEU 30 HG -0.01 0.01 -0.08 -0.04 1.64 1.53 3dh9A1 LEU 30 HD13 -0.01 -0.01 0.05 -0.04 0.93 0.91 3dh9A1 LEU 30 HD23 -0.01 -0.03 -0.02 -0.04 0.89 0.80 3dh9A1 ASN 31 H -0.02 0.26 -0.57 -0.55 8.53 7.65 3dh9A1 ASN 31 HA 0.01 0.10 0.62 -0.75 4.76 4.74 3dh9A1 ASN 31 HB2 0.08 0.09 0.01 -0.04 2.88 3.02 3dh9A1 ASN 31 HB3 0.09 0.10 -0.16 -0.04 2.79 2.78 3dh9A1 ASN 31 HD21 0.02 -0.13 -0.05 -0.04 7.03 6.83 3dh9A1 ASN 31 HD22 0.03 0.60 0.05 -0.04 7.74 8.38 3dh9A1 GLY 32 H -0.05 0.44 -0.54 -0.55 8.43 7.73 3dh9A1 GLY 32 HA2 -0.05 0.04 0.28 -0.51 4.01 3.77 3dh9A1 GLY 32 HA3 -0.04 0.01 0.23 -0.51 4.01 3.71 3dh9A1 ALA 33 H -0.28 0.47 -0.11 -0.55 8.40 7.94 3dh9A1 ALA 33 HA -0.31 0.09 0.73 -0.75 4.34 4.10 3dh9A1 ALA 33 HB3 -1.06 -0.04 -0.13 -0.04 1.41 0.15 3dh9A1 ARG 34 H -0.11 0.08 0.21 -0.55 8.46 8.09 3dh9A1 ARG 34 HA 0.00 0.20 0.85 -0.75 4.34 4.63 3dh9A1 ARG 34 HB2 -0.02 0.10 0.14 -0.04 1.90 2.08 3dh9A1 ARG 34 HB3 0.00 -0.17 0.30 -0.04 1.80 1.88 3dh9A1 ARG 34 HG2 0.04 -0.05 0.03 -0.04 1.67 1.65 3dh9A1 ARG 34 HG3 0.01 0.03 0.09 -0.04 1.67 1.76 3dh9A1 ARG 34 HD2 -0.21 0.28 0.14 -0.04 3.22 3.39 3dh9A1 ARG 34 HD3 -0.08 -0.03 0.06 -0.04 3.22 3.13 3dh9A1 VAL 35 H 0.05 0.32 0.18 -0.55 8.24 8.25 3dh9A1 VAL 35 HA -0.02 0.35 1.09 -0.75 4.13 4.79 3dh9A1 VAL 35 HB -0.08 -0.03 -0.15 -0.04 2.12 1.82 3dh9A1 VAL 35 HG13 -0.08 0.02 -0.15 -0.04 0.97 0.72 3dh9A1 VAL 35 HG23 -0.06 0.00 -0.16 -0.04 0.95 0.69 3dh9A1 ALA 36 H -0.39 0.44 0.41 -0.55 8.40 8.31 3dh9A1 ALA 36 HA -0.22 0.28 0.79 -0.75 4.34 4.44 3dh9A1 ALA 36 HB3 -0.75 -0.02 0.03 -0.04 1.41 0.62 3dh9A1 CYS 37 H -0.07 0.59 0.23 -0.55 8.50 8.70 3dh9A1 CYS 37 HA -0.04 0.18 0.92 -0.75 4.58 4.89 3dh9A1 CYS 37 HB2 -0.02 0.03 -0.20 -0.04 2.97 2.74 3dh9A1 CYS 37 HB3 0.03 0.01 -0.04 -0.04 2.97 2.93 3dh9A1 LEU 38 H 0.01 0.69 0.35 -0.55 8.37 8.87 3dh9A1 LEU 38 HA 0.06 0.29 1.02 -0.75 4.35 4.96 3dh9A1 LEU 38 HB2 0.01 -0.11 0.19 -0.04 1.64 1.69 3dh9A1 LEU 38 HB3 0.03 0.22 0.02 -0.04 1.64 1.87 3dh9A1 LEU 38 HG -0.04 -0.00 -0.11 -0.04 1.64 1.45 3dh9A1 LEU 38 HD13 -0.07 -0.03 -0.24 -0.04 0.93 0.55 3dh9A1 LEU 38 HD23 -0.04 -0.01 -0.27 -0.04 0.89 0.53 3dh9A1 ASP 39 H 0.21 0.71 0.43 -0.55 8.40 9.20 3dh9A1 ASP 39 HA 0.14 0.01 0.59 -0.75 4.63 4.61 3dh9A1 ASP 39 HB2 0.12 0.01 -0.10 -0.04 2.71 2.70 3dh9A1 ASP 39 HB3 0.28 0.07 0.04 -0.04 2.70 3.04 3dh9A1 PHE 40 H 0.17 0.24 0.16 -0.55 8.34 8.36 3dh9A1 PHE 40 HA 0.01 0.16 0.60 -0.75 4.62 4.64 3dh9A1 PHE 40 HB2 -0.01 0.08 -0.59 -0.04 3.15 2.60 3dh9A1 PHE 40 HB3 -0.01 -0.05 -0.21 -0.04 3.06 2.75 3dh9A1 PHE 40 HD2 -0.03 -0.01 -0.26 -0.04 7.28 6.94 3dh9A1 PHE 40 HE2 -0.05 -0.00 -0.11 -0.04 7.38 7.18 3dh9A1 PHE 40 HZ -0.05 0.03 -0.06 -0.04 7.32 7.20 3dh9A1 VAL 41 H -1.22 0.29 0.04 -0.55 8.24 6.79 3dh9A1 VAL 41 HA -0.34 0.08 0.79 -0.75 4.13 3.90 3dh9A1 VAL 41 HB -0.73 0.07 0.14 -0.04 2.12 1.56 3dh9A1 VAL 41 HG13 -1.74 0.00 -0.14 -0.04 0.97 -0.95 3dh9A1 VAL 41 HG23 -0.28 -0.00 -0.23 -0.04 0.95 0.40 3dh9A1 LYS 42 H -0.18 0.11 0.07 -0.55 8.42 7.86 3dh9A1 LYS 42 HA -0.08 0.12 0.55 -0.75 4.32 4.16 3dh9A1 LYS 42 HB2 0.05 -0.09 0.10 -0.04 1.87 1.88 3dh9A1 LYS 42 HB3 -0.01 0.04 -0.05 -0.04 1.79 1.74 3dh9A1 LYS 42 HG2 0.05 0.12 -0.03 -0.04 1.46 1.56 3dh9A1 LYS 42 HG3 0.19 -0.00 0.01 -0.04 1.46 1.62 3dh9A1 LYS 42 HD2 0.08 -0.04 -0.03 -0.04 1.69 1.65 3dh9A1 LYS 42 HD3 0.06 0.01 -0.03 -0.04 1.68 1.68 3dh9A1 LYS 42 HE2 0.19 -0.04 -0.06 -0.04 2.99 3.03 3dh9A1 LYS 42 HE3 0.07 -0.04 -0.04 -0.04 2.99 2.94 3dh9A1 PRO 43 HA -0.22 0.34 0.35 -0.51 4.44 4.40 3dh9A1 PRO 43 HB2 -0.03 0.02 -0.12 -0.04 2.28 2.12 3dh9A1 PRO 43 HB3 -0.07 0.18 -0.19 -0.04 2.02 1.90 3dh9A1 PRO 43 HG2 -0.03 -0.01 0.04 -0.04 2.03 1.99 3dh9A1 PRO 43 HG3 -0.12 0.04 0.05 -0.04 2.03 1.96 3dh9A1 PRO 43 HD2 -0.01 0.05 0.14 -0.04 3.68 3.81 3dh9A1 PRO 43 HD3 -0.07 0.10 0.27 -0.04 3.65 3.91 3dh9A1 THR 44 H 0.05 0.43 0.16 -0.55 8.28 8.37 3dh9A1 THR 44 HA 0.13 0.04 0.43 -0.75 4.39 4.23 3dh9A1 THR 44 HB 0.21 0.07 0.13 -0.04 4.32 4.69 3dh9A1 THR 44 HG23 0.31 0.01 0.00 -0.04 1.22 1.50 3dh9A1 PRO 45 HA 0.01 0.05 0.50 -0.51 4.44 4.49 3dh9A1 PRO 45 HB2 -0.08 -0.02 0.01 -0.04 2.28 2.15 3dh9A1 PRO 45 HB3 -0.04 0.01 0.10 -0.04 2.02 2.05 3dh9A1 PRO 45 HG2 -0.12 0.09 0.12 -0.04 2.03 2.09 3dh9A1 PRO 45 HG3 -0.19 -0.02 0.08 -0.04 2.03 1.85 3dh9A1 PRO 45 HD2 0.20 0.01 0.24 -0.04 3.68 4.09 3dh9A1 PRO 45 HD3 0.09 0.11 0.20 -0.04 3.65 4.02 3dh9A1 THR 46 H -0.00 0.03 0.09 -0.55 8.28 7.85 3dh9A1 THR 46 HA 0.01 -0.05 0.39 -0.75 4.39 3.99 3dh9A1 THR 46 HB 0.06 0.10 0.26 -0.04 4.32 4.69 3dh9A1 THR 46 HG23 0.03 0.02 0.07 -0.04 1.22 1.31 3dh9A1 LEU 47 H 0.04 0.10 0.02 -0.55 8.37 7.99 3dh9A1 LEU 47 HA 0.06 -0.02 0.39 -0.75 4.35 4.02 3dh9A1 LEU 47 HB2 0.09 0.34 -0.32 -0.04 1.64 1.71 3dh9A1 LEU 47 HB3 0.09 -0.12 -0.00 -0.04 1.64 1.57 3dh9A1 LEU 47 HG 0.08 0.11 -0.13 -0.04 1.64 1.66 3dh9A1 LEU 47 HD13 0.08 -0.02 -0.02 -0.04 0.93 0.93 3dh9A1 LEU 47 HD23 0.07 -0.02 0.03 -0.04 0.89 0.93 3dh9A1 GLY 48 H 0.07 0.89 -0.31 -0.55 8.43 8.53 3dh9A1 GLY 48 HA2 0.03 0.31 0.18 -0.51 4.01 4.02 3dh9A1 GLY 48 HA3 0.03 -0.05 0.11 -0.51 4.01 3.59 3dh9A1 THR 49 H 0.12 0.05 -0.15 -0.55 8.28 7.75 3dh9A1 THR 49 HA 0.14 0.09 0.48 -0.75 4.39 4.35 3dh9A1 THR 49 HB 0.31 -0.14 0.00 -0.04 4.32 4.46 3dh9A1 THR 49 HG23 0.40 0.06 -0.05 -0.04 1.22 1.59 3dh9A1 LYS 50 H 0.14 0.27 0.27 -0.55 8.42 8.54 3dh9A1 LYS 50 HA -0.67 0.10 0.47 -0.75 4.32 3.45 3dh9A1 LYS 50 HB2 -0.36 -0.01 0.09 -0.04 1.87 1.55 3dh9A1 LYS 50 HB3 -0.22 0.07 -0.17 -0.04 1.79 1.44 3dh9A1 LYS 50 HG2 -0.01 0.02 0.04 -0.04 1.46 1.47 3dh9A1 LYS 50 HG3 -0.04 -0.04 -0.20 -0.04 1.46 1.14 3dh9A1 LYS 50 HD2 -0.12 -0.01 -0.02 -0.04 1.69 1.50 3dh9A1 LYS 50 HD3 -0.07 0.05 -0.03 -0.04 1.68 1.60 3dh9A1 LYS 50 HE2 -0.02 -0.05 -0.04 -0.04 2.99 2.85 3dh9A1 LYS 50 HE3 -0.02 -0.02 -0.01 -0.04 2.99 2.90 3dh9A1 TRP 51 H -0.58 0.32 0.17 -0.55 7.97 7.33 3dh9A1 TRP 51 HA 0.00 0.13 0.65 -0.75 4.62 4.65 3dh9A1 TRP 51 HB2 0.00 -0.15 0.05 -0.04 3.23 3.10 3dh9A1 TRP 51 HB3 0.02 0.18 -0.16 -0.04 3.23 3.22 3dh9A1 TRP 51 HD1 -0.01 0.25 -0.24 -0.04 7.22 7.18 3dh9A1 TRP 51 HE1 0.01 -0.15 -0.19 -0.04 10.20 9.83 3dh9A1 TRP 51 HE3 0.03 0.12 -0.48 -0.04 7.59 7.22 3dh9A1 TRP 51 HZ2 0.04 -0.07 -0.07 -0.04 7.44 7.29 3dh9A1 TRP 51 HZ3 0.06 0.02 -0.23 -0.04 7.13 6.93 3dh9A1 TRP 51 HH2 0.06 -0.05 -0.05 -0.04 7.19 7.12 3dh9A1 GLY 52 H 0.31 0.12 0.09 -0.55 8.43 8.40 3dh9A1 GLY 52 HA2 0.08 0.12 0.25 -0.51 4.01 3.96 3dh9A1 GLY 52 HA3 0.12 0.03 0.33 -0.51 4.01 3.99 3dh9A1 VAL 53 H 0.05 0.12 0.14 -0.55 8.24 8.00 3dh9A1 VAL 53 HA 0.01 0.02 0.43 -0.75 4.13 3.84 3dh9A1 VAL 53 HB -0.19 0.02 0.11 -0.04 2.12 2.02 3dh9A1 VAL 53 HG13 -0.15 0.01 -0.00 -0.04 0.97 0.78 3dh9A1 VAL 53 HG23 -0.45 0.01 0.04 -0.04 0.95 0.51 3dh9A1 GLY 54 H 0.00 0.24 0.25 -0.55 8.43 8.38 3dh9A1 GLY 54 HA2 -0.03 0.05 0.29 -0.51 4.01 3.81 3dh9A1 GLY 54 HA3 -0.01 0.21 0.67 -0.51 4.01 4.37 3dh9A1 GLY 55 H 0.14 0.25 -0.05 -0.55 8.43 8.23 3dh9A1 GLY 55 HA2 0.20 0.15 0.24 -0.51 4.01 4.08 3dh9A1 GLY 55 HA3 0.09 -0.19 0.40 -0.51 4.01 3.79 3dh9A1 THR 56 H 0.08 0.03 0.22 -0.55 8.28 8.06 3dh9A1 THR 56 HA -0.02 0.21 0.09 -0.75 4.39 3.92 3dh9A1 THR 56 HB 0.06 -0.13 0.16 -0.04 4.32 4.37 3dh9A1 THR 56 HG23 0.04 0.02 -0.23 -0.04 1.22 1.00 3dh9A1 CYS 57 H 0.01 0.04 0.08 -0.55 8.50 8.09 3dh9A1 CYS 57 HA -0.03 -0.19 0.41 -0.75 4.58 4.01 3dh9A1 CYS 57 HB2 0.01 -0.05 0.18 -0.04 2.97 3.07 3dh9A1 CYS 57 HB3 -0.01 0.10 0.15 -0.04 2.97 3.17 3dh9A1 VAL 58 H -0.04 0.16 -0.26 -0.55 8.24 7.55 3dh9A1 VAL 58 HA -0.07 0.03 0.32 -0.75 4.13 3.65 3dh9A1 VAL 58 HB -0.04 0.07 -0.11 -0.04 2.12 2.00 3dh9A1 VAL 58 HG13 -0.06 0.03 -0.14 -0.04 0.97 0.76 3dh9A1 VAL 58 HG23 -0.03 -0.02 -0.01 -0.04 0.95 0.84 3dh9A1 ASN 59 H -0.17 0.17 -0.32 -0.55 8.53 7.66 3dh9A1 ASN 59 HA -0.21 0.16 0.29 -0.75 4.76 4.24 3dh9A1 ASN 59 HB2 -0.55 0.12 0.04 -0.04 2.88 2.44 3dh9A1 ASN 59 HB3 -1.01 0.02 -0.11 -0.04 2.79 1.65 3dh9A1 ASN 59 HD21 0.14 0.19 -0.46 -0.04 7.03 6.86 3dh9A1 ASN 59 HD22 0.10 0.35 -0.12 -0.04 7.74 8.03 3dh9A1 VAL 60 H -0.33 0.35 0.05 -0.55 8.24 7.75 3dh9A1 VAL 60 HA -0.19 0.25 0.79 -0.75 4.13 4.23 3dh9A1 VAL 60 HB -0.24 -0.02 0.08 -0.04 2.12 1.89 3dh9A1 VAL 60 HG13 -1.40 0.02 -0.23 -0.04 0.97 -0.68 3dh9A1 VAL 60 HG23 -0.50 -0.04 -0.09 -0.04 0.95 0.27 3dh9A1 GLY 61 H -0.23 0.22 -0.13 -0.55 8.43 7.74 3dh9A1 GLY 61 HA2 0.03 0.17 0.77 -0.51 4.01 4.46 3dh9A1 GLY 61 HA3 -0.03 -0.19 0.23 -0.51 4.01 3.51 3dh9A1 CYS 62 H -0.04 0.01 0.22 -0.55 8.50 8.14 3dh9A1 CYS 62 HA -0.02 0.04 0.18 -0.75 4.58 4.02 3dh9A1 CYS 62 HB2 -0.06 0.11 -0.03 -0.04 2.97 2.95 3dh9A1 CYS 62 HB3 -0.02 0.02 0.10 -0.04 2.97 3.03 3dh9A1 ILE 63 H -0.15 0.51 -0.12 -0.55 8.25 7.94 3dh9A1 ILE 63 HA -0.14 0.02 0.29 -0.75 4.18 3.59 3dh9A1 ILE 63 HB -0.11 0.26 0.19 -0.04 1.89 2.19 3dh9A1 ILE 63 HG12 -0.07 -0.18 -0.13 -0.04 1.49 1.07 3dh9A1 ILE 63 HG13 -0.03 0.02 -0.06 -0.04 1.21 1.11 3dh9A1 ILE 63 HG23 0.01 0.01 -0.07 -0.04 0.93 0.84 3dh9A1 ILE 63 HD13 -0.04 0.00 -0.07 -0.04 0.88 0.73 3dh9A1 PRO 64 HA -0.30 0.08 0.43 -0.51 4.44 4.13 3dh9A1 PRO 64 HB2 -0.99 0.03 -0.04 -0.04 2.28 1.23 3dh9A1 PRO 64 HB3 -0.34 0.12 0.06 -0.04 2.02 1.81 3dh9A1 PRO 64 HG2 -1.14 0.07 -0.18 -0.04 2.03 0.73 3dh9A1 PRO 64 HG3 -0.50 0.22 -0.25 -0.04 2.03 1.46 3dh9A1 PRO 64 HD2 -0.31 -0.14 -0.24 -0.04 3.68 2.94 3dh9A1 PRO 64 HD3 -0.26 0.43 -0.01 -0.04 3.65 3.76 3dh9A1 LYS 65 H -0.47 0.45 -0.41 -0.55 8.42 7.43 3dh9A1 LYS 65 HA -0.04 0.06 0.36 -0.75 4.32 3.94 3dh9A1 LYS 65 HB2 0.08 0.02 -0.02 -0.04 1.87 1.91 3dh9A1 LYS 65 HB3 -0.06 0.06 -0.01 -0.04 1.79 1.73 3dh9A1 LYS 65 HG2 0.43 0.02 -0.08 -0.04 1.46 1.79 3dh9A1 LYS 65 HG3 0.29 -0.09 -0.09 -0.04 1.46 1.52 3dh9A1 LYS 65 HD2 0.01 0.04 -0.68 -0.04 1.69 1.01 3dh9A1 LYS 65 HD3 0.20 -0.04 -0.10 -0.04 1.68 1.69 3dh9A1 LYS 65 HE2 -0.13 0.20 -0.01 -0.04 2.99 3.00 3dh9A1 LYS 65 HE3 -0.26 -0.05 -0.05 -0.04 2.99 2.59 3dh9A1 LYS 66 H -0.22 0.57 0.00 -0.55 8.42 8.22 3dh9A1 LYS 66 HA -0.22 0.00 0.52 -0.75 4.32 3.87 3dh9A1 LYS 66 HB2 -0.35 -0.00 0.16 -0.04 1.87 1.63 3dh9A1 LYS 66 HB3 -0.22 0.11 0.11 -0.04 1.79 1.76 3dh9A1 LYS 66 HG2 -0.23 -0.01 -0.02 -0.04 1.46 1.15 3dh9A1 LYS 66 HG3 -0.18 -0.00 -0.07 -0.04 1.46 1.17 3dh9A1 LYS 66 HD2 -0.56 0.01 0.07 -0.04 1.69 1.17 3dh9A1 LYS 66 HD3 -1.03 -0.04 0.02 -0.04 1.68 0.58 3dh9A1 LYS 66 HE2 -0.03 0.03 -0.00 -0.04 2.99 2.94 3dh9A1 LYS 66 HE3 -0.23 -0.08 -0.02 -0.04 2.99 2.62 3dh9A1 LEU 67 H -0.21 0.46 -0.24 -0.55 8.37 7.84 3dh9A1 LEU 67 HA -0.16 0.02 0.47 -0.75 4.35 3.93 3dh9A1 LEU 67 HB2 -0.21 0.09 0.16 -0.04 1.64 1.65 3dh9A1 LEU 67 HB3 -0.17 -0.01 0.02 -0.04 1.64 1.44 3dh9A1 LEU 67 HG -0.19 0.03 0.02 -0.04 1.64 1.46 3dh9A1 LEU 67 HD13 -0.16 -0.01 -0.04 -0.04 0.93 0.67 3dh9A1 LEU 67 HD23 -0.22 -0.01 -0.01 -0.04 0.89 0.60 3dh9A1 MET 68 H -0.27 0.58 -0.02 -0.55 8.47 8.21 3dh9A1 MET 68 HA -0.21 0.05 0.61 -0.75 4.52 4.21 3dh9A1 MET 68 HB2 -0.94 0.05 0.09 -0.04 2.15 1.31 3dh9A1 MET 68 HB3 -0.99 -0.00 -0.02 -0.04 2.03 0.99 3dh9A1 MET 68 HG2 -0.30 -0.06 0.01 -0.04 2.63 2.24 3dh9A1 MET 68 HG3 -0.30 0.29 0.11 -0.04 2.56 2.62 3dh9A1 MET 68 HE3 -0.36 0.02 -0.02 -0.04 2.10 1.69 3dh9A1 HIS 69 H -0.01 0.60 -0.11 -0.55 8.41 8.35 3dh9A1 HIS 69 HA 0.16 0.05 0.61 -0.75 4.63 4.69 3dh9A1 HIS 69 HB2 0.15 0.08 0.16 -0.04 3.26 3.60 3dh9A1 HIS 69 HB3 -0.04 0.05 0.19 -0.04 3.20 3.35 3dh9A1 HIS 69 HD2 0.02 -0.06 -0.03 -0.04 6.97 6.85 3dh9A1 HIS 69 HE1 0.20 0.25 -0.24 -0.04 7.75 7.92 3dh9A1 GLN 70 H -0.06 0.64 -0.14 -0.55 8.47 8.36 3dh9A1 GLN 70 HA -0.15 -0.04 0.51 -0.75 4.36 3.92 3dh9A1 GLN 70 HB2 -0.10 -0.01 0.14 -0.04 2.15 2.14 3dh9A1 GLN 70 HB3 -0.11 0.21 0.18 -0.04 2.02 2.26 3dh9A1 GLN 70 HG2 -0.10 -0.02 -0.00 -0.04 2.40 2.24 3dh9A1 GLN 70 HG3 -0.09 0.01 -0.14 -0.04 2.39 2.13 3dh9A1 GLN 70 HE21 -0.06 -0.02 -0.01 -0.04 6.97 6.84 3dh9A1 GLN 70 HE22 -0.07 0.02 -0.02 -0.04 7.69 7.58 3dh9A1 ALA 71 H -0.08 0.33 -0.26 -0.55 8.40 7.84 3dh9A1 ALA 71 HA -0.06 -0.03 0.35 -0.75 4.34 3.85 3dh9A1 ALA 71 HB3 -0.05 0.03 0.13 -0.04 1.41 1.47 3dh9A1 SER 72 H 0.02 0.48 -0.22 -0.55 8.46 8.19 3dh9A1 SER 72 HA 0.06 0.14 0.40 -0.75 4.49 4.33 3dh9A1 SER 72 HB2 0.20 0.05 0.15 -0.04 3.95 4.31 3dh9A1 SER 72 HB3 0.14 0.06 0.20 -0.04 3.93 4.29 3dh9A1 LEU 73 H -0.10 0.62 -0.01 -0.55 8.37 8.33 3dh9A1 LEU 73 HA -0.03 0.02 0.50 -0.75 4.35 4.08 3dh9A1 LEU 73 HB2 -0.16 0.14 0.20 -0.04 1.64 1.77 3dh9A1 LEU 73 HB3 -0.08 -0.06 -0.08 -0.04 1.64 1.38 3dh9A1 LEU 73 HG -0.06 -0.09 0.03 -0.04 1.64 1.48 3dh9A1 LEU 73 HD13 -0.03 0.00 0.05 -0.04 0.93 0.92 3dh9A1 LEU 73 HD23 -0.41 -0.02 -0.07 -0.04 0.89 0.35 3dh9A1 LEU 74 H -0.07 0.55 -0.26 -0.55 8.37 8.04 3dh9A1 LEU 74 HA -0.08 -0.02 0.59 -0.75 4.35 4.08 3dh9A1 LEU 74 HB2 -0.07 0.17 0.14 -0.04 1.64 1.84 3dh9A1 LEU 74 HB3 -0.09 -0.06 0.03 -0.04 1.64 1.47 3dh9A1 LEU 74 HG -0.08 0.09 0.05 -0.04 1.64 1.66 3dh9A1 LEU 74 HD13 -0.08 -0.02 -0.06 -0.04 0.93 0.73 3dh9A1 LEU 74 HD23 -0.09 -0.03 0.01 -0.04 0.89 0.74 3dh9A1 GLY 75 H -0.05 0.47 -0.09 -0.55 8.43 8.21 3dh9A1 GLY 75 HA2 -0.15 -0.03 0.50 -0.51 4.01 3.82 3dh9A1 GLY 75 HA3 -0.05 0.21 0.36 -0.51 4.01 4.02 3dh9A1 GLU 76 H -0.02 0.36 -0.20 -0.55 8.60 8.19 3dh9A1 GLU 76 HA 0.13 0.07 0.39 -0.75 4.29 4.12 3dh9A1 GLU 76 HB2 0.00 0.07 0.10 -0.04 2.09 2.22 3dh9A1 GLU 76 HB3 0.02 -0.05 0.05 -0.04 1.99 1.97 3dh9A1 GLU 76 HG2 0.07 0.02 0.06 -0.04 2.34 2.45 3dh9A1 GLU 76 HG3 0.03 0.25 0.17 -0.04 2.34 2.75 3dh9A1 ALA 77 H -0.06 0.52 -0.13 -0.55 8.40 8.18 3dh9A1 ALA 77 HA -0.05 -0.02 0.50 -0.75 4.34 4.01 3dh9A1 ALA 77 HB3 -0.09 0.03 0.12 -0.04 1.41 1.43 3dh9A1 VAL 78 H -0.15 0.57 -0.18 -0.55 8.24 7.93 3dh9A1 VAL 78 HA -0.16 -0.05 0.51 -0.75 4.13 3.68 3dh9A1 VAL 78 HB -0.31 0.21 0.21 -0.04 2.12 2.19 3dh9A1 VAL 78 HG13 -0.16 -0.02 -0.10 -0.04 0.97 0.64 3dh9A1 VAL 78 HG23 -0.15 0.02 0.04 -0.04 0.95 0.82 3dh9A1 HIS 79 H -0.36 0.54 -0.02 -0.55 8.41 8.02 3dh9A1 HIS 79 HA 0.01 0.05 0.67 -0.75 4.63 4.60 3dh9A1 HIS 79 HB2 -0.01 0.09 0.16 -0.04 3.26 3.46 3dh9A1 HIS 79 HB3 0.00 -0.05 0.04 -0.04 3.20 3.15 3dh9A1 HIS 79 HD2 -0.01 -0.06 -0.09 -0.04 6.97 6.76 3dh9A1 HIS 79 HE1 -0.01 0.13 0.14 -0.04 7.75 7.97 3dh9A1 GLU 80 H 0.05 0.50 -0.11 -0.55 8.60 8.50 3dh9A1 GLU 80 HA 0.13 0.09 0.58 -0.75 4.29 4.34 3dh9A1 GLU 80 HB2 0.04 0.06 0.14 -0.04 2.09 2.29 3dh9A1 GLU 80 HB3 0.19 -0.07 0.05 -0.04 1.99 2.12 3dh9A1 GLU 80 HG2 0.03 -0.02 0.02 -0.04 2.34 2.33 3dh9A1 GLU 80 HG3 0.04 0.27 0.08 -0.04 2.34 2.69 3dh9A1 ALA 81 H 0.04 0.48 -0.25 -0.55 8.40 8.11 3dh9A1 ALA 81 HA 0.16 -0.02 0.27 -0.75 4.34 4.00 3dh9A1 ALA 81 HB3 -0.15 0.04 0.13 -0.04 1.41 1.39 3dh9A1 ALA 82 H 0.15 0.33 -0.39 -0.55 8.40 7.95 3dh9A1 ALA 82 HA 0.22 0.19 0.35 -0.75 4.34 4.35 3dh9A1 ALA 82 HB3 0.11 0.03 0.08 -0.04 1.41 1.59 3dh9A1 ALA 83 H 0.21 0.50 -0.38 -0.55 8.40 8.18 3dh9A1 ALA 83 HA 0.05 0.04 0.35 -0.75 4.34 4.02 3dh9A1 ALA 83 HB3 0.05 0.06 0.05 -0.04 1.41 1.53 3dh9A1 TYR 84 H 0.43 0.38 -0.33 -0.55 8.29 8.23 3dh9A1 TYR 84 HA 0.07 0.13 0.70 -0.75 4.56 4.71 3dh9A1 TYR 84 HB2 0.30 0.09 0.11 -0.04 3.06 3.51 3dh9A1 TYR 84 HB3 0.14 -0.07 0.17 -0.04 2.98 3.17 3dh9A1 TYR 84 HD2 0.11 0.14 -0.01 -0.04 7.15 7.35 3dh9A1 TYR 84 HE2 0.09 -0.01 -0.02 -0.04 6.85 6.87 3dh9A1 GLY 85 H 0.14 0.51 -0.37 -0.55 8.43 8.16 3dh9A1 GLY 85 HA2 0.01 0.02 0.26 -0.51 4.01 3.78 3dh9A1 GLY 85 HA3 -0.07 0.08 0.58 -0.51 4.01 4.10 3dh9A1 TRP 86 H 0.29 0.27 -0.19 -0.55 7.97 7.79 3dh9A1 TRP 86 HA 0.03 0.03 0.58 -0.75 4.62 4.51 3dh9A1 TRP 86 HB2 0.04 -0.00 -0.22 -0.04 3.23 3.00 3dh9A1 TRP 86 HB3 0.02 -0.05 -0.07 -0.04 3.23 3.08 3dh9A1 TRP 86 HD1 0.05 0.16 0.02 -0.04 7.22 7.41 3dh9A1 TRP 86 HE1 -0.03 -0.01 -0.01 -0.04 10.20 10.11 3dh9A1 TRP 86 HE3 0.01 -0.03 -0.00 -0.04 7.59 7.52 3dh9A1 TRP 86 HZ2 -0.01 -0.01 -0.01 -0.04 7.44 7.36 3dh9A1 TRP 86 HZ3 -0.00 -0.02 -0.01 -0.04 7.13 7.06 3dh9A1 TRP 86 HH2 -0.00 -0.02 -0.01 -0.04 7.19 7.11 3dh9A1 ASN 87 H 0.22 0.10 0.09 -0.55 8.53 8.39 3dh9A1 ASN 87 HA 0.10 0.23 0.64 -0.75 4.76 4.98 3dh9A1 ASN 87 HB2 0.06 -0.01 0.14 -0.04 2.88 3.04 3dh9A1 ASN 87 HB3 0.05 0.05 0.09 -0.04 2.79 2.94 3dh9A1 ASN 87 HD21 0.06 -0.03 0.04 -0.04 7.03 7.06 3dh9A1 ASN 87 HD22 0.04 0.01 0.06 -0.04 7.74 7.80 3dh9A1 VAL 88 H 0.16 0.33 -0.44 -0.55 8.24 7.74 3dh9A1 VAL 88 HA 0.07 0.03 0.50 -0.75 4.13 3.97 3dh9A1 VAL 88 HB 0.01 -0.03 0.05 -0.04 2.12 2.11 3dh9A1 VAL 88 HG13 0.09 0.01 -0.12 -0.04 0.97 0.91 3dh9A1 VAL 88 HG23 0.06 0.12 -0.20 -0.04 0.95 0.89 3dh9A1 ASP 89 H 0.03 0.07 0.15 -0.55 8.40 8.10 3dh9A1 ASP 89 HA 0.04 0.11 0.65 -0.75 4.63 4.67 3dh9A1 ASP 89 HB2 0.03 0.05 0.09 -0.04 2.71 2.83 3dh9A1 ASP 89 HB3 0.02 0.00 0.06 -0.04 2.70 2.74 3dh9A1 ASP 90 H 0.04 0.07 0.16 -0.55 8.40 8.13 3dh9A1 ASP 90 HA 0.12 0.23 0.63 -0.75 4.63 4.86 3dh9A1 ASP 90 HB2 0.04 -0.05 0.15 -0.04 2.71 2.80 3dh9A1 ASP 90 HB3 0.04 0.03 0.01 -0.04 2.70 2.74 3dh9A1 LYS 91 H 0.04 0.00 0.01 -0.55 8.42 7.91 3dh9A1 LYS 91 HA 0.04 0.21 0.44 -0.75 4.32 4.26 3dh9A1 LYS 91 HB2 0.02 -0.04 0.10 -0.04 1.87 1.91 3dh9A1 LYS 91 HB3 0.02 -0.04 0.15 -0.04 1.79 1.88 3dh9A1 LYS 91 HG2 0.01 -0.04 0.08 -0.04 1.46 1.46 3dh9A1 LYS 91 HG3 0.01 0.10 0.04 -0.04 1.46 1.58 3dh9A1 LYS 91 HD2 0.01 -0.04 0.02 -0.04 1.69 1.64 3dh9A1 LYS 91 HD3 0.00 0.00 0.01 -0.04 1.68 1.66 3dh9A1 LYS 91 HE2 0.01 0.10 -0.03 -0.04 2.99 3.03 3dh9A1 LYS 91 HE3 0.01 -0.05 -0.02 -0.04 2.99 2.89 3dh9A1 ILE 92 H 0.08 0.43 -0.42 -0.55 8.25 7.79 3dh9A1 ILE 92 HA 0.01 0.03 0.47 -0.75 4.18 3.94 3dh9A1 ILE 92 HB -0.03 -0.04 0.01 -0.04 1.89 1.78 3dh9A1 ILE 92 HG12 -0.05 0.10 0.03 -0.04 1.49 1.52 3dh9A1 ILE 92 HG13 -0.01 0.03 -0.10 -0.04 1.21 1.09 3dh9A1 ILE 92 HG23 -0.02 -0.00 -0.13 -0.04 0.93 0.74 3dh9A1 ILE 92 HD13 -0.22 -0.01 -0.02 -0.04 0.88 0.59 3dh9A1 LYS 93 H -0.00 0.23 0.20 -0.55 8.42 8.29 3dh9A1 LYS 93 HA -0.01 0.24 0.77 -0.75 4.32 4.57 3dh9A1 LYS 93 HB2 -0.01 0.09 -0.10 -0.04 1.87 1.81 3dh9A1 LYS 93 HB3 0.00 -0.06 0.01 -0.04 1.79 1.70 3dh9A1 LYS 93 HG2 0.01 -0.12 -0.13 -0.04 1.46 1.17 3dh9A1 LYS 93 HG3 -0.00 0.18 -0.19 -0.04 1.46 1.40 3dh9A1 LYS 93 HD2 -0.03 0.06 0.02 -0.04 1.69 1.69 3dh9A1 LYS 93 HD3 0.00 -0.08 -0.01 -0.04 1.68 1.55 3dh9A1 LYS 93 HE2 -0.04 -0.04 0.04 -0.04 2.99 2.91 3dh9A1 LYS 93 HE3 0.02 -0.12 0.03 -0.04 2.99 2.89 3dh9A1 PRO 94 HA 0.02 0.03 0.69 -0.51 4.44 4.67 3dh9A1 PRO 94 HB2 0.10 -0.04 -0.03 -0.04 2.28 2.26 3dh9A1 PRO 94 HB3 0.03 0.06 0.09 -0.04 2.02 2.15 3dh9A1 PRO 94 HG2 -0.02 -0.04 0.22 -0.04 2.03 2.15 3dh9A1 PRO 94 HG3 -0.02 0.18 0.14 -0.04 2.03 2.29 3dh9A1 PRO 94 HD2 -0.06 0.10 0.24 -0.04 3.68 3.92 3dh9A1 PRO 94 HD3 -0.02 0.20 0.12 -0.04 3.65 3.91 3dh9A1 ASP 95 H 0.04 0.17 0.15 -0.55 8.40 8.20 3dh9A1 ASP 95 HA 0.11 0.21 0.98 -0.75 4.63 5.17 3dh9A1 ASP 95 HB2 0.06 0.12 0.11 -0.04 2.71 2.96 3dh9A1 ASP 95 HB3 0.05 -0.03 0.21 -0.04 2.70 2.89 3dh9A1 TRP 96 H 0.25 0.30 0.13 -0.55 7.97 8.10 3dh9A1 TRP 96 HA 0.02 0.10 0.31 -0.75 4.62 4.29 3dh9A1 TRP 96 HB2 0.08 0.10 0.13 -0.04 3.23 3.50 3dh9A1 TRP 96 HB3 -0.37 -0.07 0.12 -0.04 3.23 2.87 3dh9A1 TRP 96 HD1 -0.46 -0.02 -0.33 -0.04 7.22 6.38 3dh9A1 TRP 96 HE1 -0.03 0.42 -0.13 -0.04 10.20 10.43 3dh9A1 TRP 96 HE3 0.17 0.02 0.03 -0.04 7.59 7.76 3dh9A1 TRP 96 HZ2 -0.02 0.12 0.07 -0.04 7.44 7.57 3dh9A1 TRP 96 HZ3 0.18 0.01 -0.04 -0.04 7.13 7.25 3dh9A1 TRP 96 HH2 0.11 -0.04 -0.05 -0.04 7.19 7.18 3dh9A1 HIS 97 H -0.02 0.08 -0.08 -0.55 8.41 7.85 3dh9A1 HIS 97 HA -0.11 0.18 0.43 -0.75 4.63 4.38 3dh9A1 HIS 97 HB2 0.07 -0.05 0.06 -0.04 3.26 3.29 3dh9A1 HIS 97 HB3 0.04 0.05 0.04 -0.04 3.20 3.30 3dh9A1 HIS 97 HD2 0.22 0.11 -0.01 -0.04 6.97 7.24 3dh9A1 HIS 97 HE1 0.13 -0.03 0.05 -0.04 7.75 7.85 3dh9A1 LYS 98 H 0.07 0.06 -0.23 -0.55 8.42 7.77 3dh9A1 LYS 98 HA -0.01 0.05 0.51 -0.75 4.32 4.12 3dh9A1 LYS 98 HB2 0.00 0.08 0.13 -0.04 1.87 2.04 3dh9A1 LYS 98 HB3 -0.02 0.01 0.02 -0.04 1.79 1.77 3dh9A1 LYS 98 HG2 0.01 0.02 0.04 -0.04 1.46 1.50 3dh9A1 LYS 98 HG3 0.05 -0.06 0.04 -0.04 1.46 1.44 3dh9A1 LYS 98 HD2 0.04 -0.04 0.07 -0.04 1.69 1.72 3dh9A1 LYS 98 HD3 0.01 0.03 0.06 -0.04 1.68 1.73 3dh9A1 LYS 98 HE2 0.01 0.03 0.03 -0.04 2.99 3.01 3dh9A1 LYS 98 HE3 0.01 0.00 0.02 -0.04 2.99 2.98 3dh9A1 LEU 99 H -0.09 0.54 -0.12 -0.55 8.37 8.15 3dh9A1 LEU 99 HA -0.14 -0.02 0.47 -0.75 4.35 3.92 3dh9A1 LEU 99 HB2 -0.09 -0.01 0.09 -0.04 1.64 1.59 3dh9A1 LEU 99 HB3 -0.33 0.16 0.22 -0.04 1.64 1.65 3dh9A1 LEU 99 HG -0.39 0.04 -0.30 -0.04 1.64 0.94 3dh9A1 LEU 99 HD13 -0.15 -0.03 -0.00 -0.04 0.93 0.70 3dh9A1 LEU 99 HD23 -0.13 -0.00 -0.01 -0.04 0.89 0.71 3dh9A1 VAL 100 H -0.55 0.78 0.04 -0.55 8.24 7.96 3dh9A1 VAL 100 HA -0.35 0.02 0.45 -0.75 4.13 3.50 3dh9A1 VAL 100 HB -0.39 0.04 0.14 -0.04 2.12 1.87 3dh9A1 VAL 100 HG13 -0.09 0.04 -0.15 -0.04 0.97 0.72 3dh9A1 VAL 100 HG23 -1.16 0.06 -0.04 -0.04 0.95 -0.24 3dh9A1 GLN 101 H -0.11 0.57 -0.16 -0.55 8.47 8.22 3dh9A1 GLN 101 HA -0.05 -0.01 0.40 -0.75 4.36 3.96 3dh9A1 GLN 101 HB2 -0.04 0.12 0.23 -0.04 2.15 2.42 3dh9A1 GLN 101 HB3 -0.03 -0.04 -0.03 -0.04 2.02 1.87 3dh9A1 GLN 101 HG2 -0.02 -0.05 0.06 -0.04 2.40 2.35 3dh9A1 GLN 101 HG3 -0.01 0.06 0.05 -0.04 2.39 2.44 3dh9A1 GLN 101 HE21 -0.01 -0.02 -0.01 -0.04 6.97 6.90 3dh9A1 GLN 101 HE22 -0.01 -0.01 0.00 -0.04 7.69 7.63 3dh9A1 SER 102 H -0.08 0.63 -0.05 -0.55 8.46 8.41 3dh9A1 SER 102 HA -0.04 -0.03 0.52 -0.75 4.49 4.18 3dh9A1 SER 102 HB2 -0.10 0.21 0.24 -0.04 3.95 4.26 3dh9A1 SER 102 HB3 -0.08 -0.08 -0.03 -0.04 3.93 3.71 3dh9A1 VAL 103 H -0.12 0.63 -0.01 -0.55 8.24 8.19 3dh9A1 VAL 103 HA -0.07 -0.03 0.53 -0.75 4.13 3.80 3dh9A1 VAL 103 HB -0.15 0.18 0.20 -0.04 2.12 2.31 3dh9A1 VAL 103 HG13 -0.14 -0.03 -0.05 -0.04 0.97 0.72 3dh9A1 VAL 103 HG23 -0.18 0.01 0.01 -0.04 0.95 0.75 3dh9A1 GLN 104 H -0.07 0.82 0.05 -0.55 8.47 8.72 3dh9A1 GLN 104 HA -0.03 -0.01 0.52 -0.75 4.36 4.09 3dh9A1 GLN 104 HB2 -0.03 0.09 0.18 -0.04 2.15 2.35 3dh9A1 GLN 104 HB3 -0.00 -0.09 0.06 -0.04 2.02 1.94 3dh9A1 GLN 104 HG2 -0.05 0.21 0.17 -0.04 2.40 2.69 3dh9A1 GLN 104 HG3 0.00 -0.03 0.06 -0.04 2.39 2.38 3dh9A1 GLN 104 HE21 0.00 -0.03 -0.11 -0.04 6.97 6.79 3dh9A1 GLN 104 HE22 0.00 0.49 0.01 -0.04 7.69 8.16 3dh9A1 ASN 105 H -0.02 0.85 0.00 -0.55 8.53 8.82 3dh9A1 ASN 105 HA -0.01 -0.05 0.53 -0.75 4.76 4.47 3dh9A1 ASN 105 HB2 -0.01 0.13 0.25 -0.04 2.88 3.21 3dh9A1 ASN 105 HB3 -0.01 -0.09 0.08 -0.04 2.79 2.73 3dh9A1 ASN 105 HD21 -0.02 -0.06 -0.04 -0.04 7.03 6.87 3dh9A1 ASN 105 HD22 -0.02 -0.04 -0.03 -0.04 7.74 7.61 3dh9A1 HIS 106 H 0.06 0.57 -0.18 -0.55 8.41 8.31 3dh9A1 HIS 106 HA -0.03 -0.02 0.39 -0.75 4.63 4.22 3dh9A1 HIS 106 HB2 -0.06 0.04 0.14 -0.04 3.26 3.34 3dh9A1 HIS 106 HB3 -0.08 0.15 0.15 -0.04 3.20 3.38 3dh9A1 HIS 106 HD2 -0.03 0.01 0.03 -0.04 6.97 6.93 3dh9A1 HIS 106 HE1 -0.06 -0.06 -0.04 -0.04 7.75 7.54 3dh9A1 ILE 107 H -0.02 0.58 -0.02 -0.55 8.25 8.24 3dh9A1 ILE 107 HA -0.16 -0.03 0.43 -0.75 4.18 3.67 3dh9A1 ILE 107 HB -0.04 0.11 0.23 -0.04 1.89 2.14 3dh9A1 ILE 107 HG12 -0.09 0.23 0.14 -0.04 1.49 1.72 3dh9A1 ILE 107 HG13 -0.03 0.01 0.10 -0.04 1.21 1.24 3dh9A1 ILE 107 HG23 -0.04 -0.04 -0.16 -0.04 0.93 0.66 3dh9A1 ILE 107 HD13 -0.13 -0.01 0.02 -0.04 0.88 0.73 3dh9A1 LYS 108 H -0.03 0.73 -0.09 -0.55 8.42 8.47 3dh9A1 LYS 108 HA 0.02 -0.04 0.38 -0.75 4.32 3.93 3dh9A1 LYS 108 HB2 -0.01 0.09 0.05 -0.04 1.87 1.97 3dh9A1 LYS 108 HB3 0.02 -0.08 0.10 -0.04 1.79 1.79 3dh9A1 LYS 108 HG2 0.00 0.13 -0.01 -0.04 1.46 1.53 3dh9A1 LYS 108 HG3 0.02 -0.04 0.02 -0.04 1.46 1.41 3dh9A1 LYS 108 HD2 0.05 -0.13 -0.02 -0.04 1.69 1.55 3dh9A1 LYS 108 HD3 0.01 0.12 0.08 -0.04 1.68 1.86 3dh9A1 LYS 108 HE2 0.06 0.04 0.04 -0.04 2.99 3.08 3dh9A1 LYS 108 HE3 0.03 0.02 0.00 -0.04 2.99 3.00 3dh9A1 SER 109 H -0.06 0.57 -0.12 -0.55 8.46 8.30 3dh9A1 SER 109 HA 0.05 0.01 0.67 -0.75 4.49 4.47 3dh9A1 SER 109 HB2 -0.10 0.13 0.17 -0.04 3.95 4.10 3dh9A1 SER 109 HB3 -0.00 -0.07 0.07 -0.04 3.93 3.88 3dh9A1 VAL 110 H -0.19 0.53 -0.17 -0.55 8.24 7.85 3dh9A1 VAL 110 HA -0.08 -0.01 0.45 -0.75 4.13 3.73 3dh9A1 VAL 110 HB -0.17 0.15 0.16 -0.04 2.12 2.22 3dh9A1 VAL 110 HG13 -0.07 -0.04 -0.09 -0.04 0.97 0.73 3dh9A1 VAL 110 HG23 -0.43 0.06 0.04 -0.04 0.95 0.59 3dh9A1 ASN 111 H -0.01 0.60 -0.03 -0.55 8.53 8.54 3dh9A1 ASN 111 HA 0.00 0.08 0.43 -0.75 4.76 4.52 3dh9A1 ASN 111 HB2 0.09 0.14 0.22 -0.04 2.88 3.29 3dh9A1 ASN 111 HB3 0.10 -0.14 0.06 -0.04 2.79 2.77 3dh9A1 ASN 111 HD21 0.11 -0.08 -0.03 -0.04 7.03 6.99 3dh9A1 ASN 111 HD22 0.09 0.04 0.03 -0.04 7.74 7.86 3dh9A1 TRP 112 H 0.23 0.55 -0.14 -0.55 7.97 8.07 3dh9A1 TRP 112 HA -0.02 -0.01 0.51 -0.75 4.62 4.35 3dh9A1 TRP 112 HB2 -0.02 0.04 0.15 -0.04 3.23 3.36 3dh9A1 TRP 112 HB3 -0.03 0.13 0.17 -0.04 3.23 3.46 3dh9A1 TRP 112 HD1 -0.02 0.03 -0.07 -0.04 7.22 7.12 3dh9A1 TRP 112 HE1 -0.01 0.01 -0.03 -0.04 10.20 10.13 3dh9A1 TRP 112 HE3 0.01 -0.02 0.03 -0.04 7.59 7.57 3dh9A1 TRP 112 HZ2 0.00 0.02 -0.01 -0.04 7.44 7.41 3dh9A1 TRP 112 HZ3 0.02 -0.00 -0.00 -0.04 7.13 7.11 3dh9A1 TRP 112 HH2 0.01 0.01 -0.01 -0.04 7.19 7.17 3dh9A1 VAL 113 H 0.08 0.55 -0.04 -0.55 8.24 8.28 3dh9A1 VAL 113 HA -0.17 0.00 0.43 -0.75 4.13 3.64 3dh9A1 VAL 113 HB -0.03 0.08 0.18 -0.04 2.12 2.31 3dh9A1 VAL 113 HG13 -0.05 -0.02 -0.09 -0.04 0.97 0.77 3dh9A1 VAL 113 HG23 0.04 0.03 0.07 -0.04 0.95 1.04 3dh9A1 THR 114 H -0.09 0.56 -0.33 -0.55 8.28 7.87 3dh9A1 THR 114 HA -0.11 -0.01 0.32 -0.75 4.39 3.83 3dh9A1 THR 114 HB -0.09 0.16 0.15 -0.04 4.32 4.50 3dh9A1 THR 114 HG23 -0.11 -0.04 -0.14 -0.04 1.22 0.89 3dh9A1 ARG 115 H -0.18 0.62 -0.03 -0.55 8.46 8.32 3dh9A1 ARG 115 HA -0.21 -0.03 0.46 -0.75 4.34 3.80 3dh9A1 ARG 115 HB2 -0.10 0.01 0.17 -0.04 1.90 1.94 3dh9A1 ARG 115 HB3 -0.38 0.14 0.22 -0.04 1.80 1.75 3dh9A1 ARG 115 HG2 -0.26 0.02 -0.09 -0.04 1.67 1.30 3dh9A1 ARG 115 HG3 -0.04 -0.05 0.09 -0.04 1.67 1.63 3dh9A1 ARG 115 HD2 0.16 -0.07 0.03 -0.04 3.22 3.30 3dh9A1 ARG 115 HD3 0.23 0.01 0.01 -0.04 3.22 3.42 3dh9A1 VAL 116 H -0.54 0.60 -0.13 -0.55 8.24 7.63 3dh9A1 VAL 116 HA -0.38 0.01 0.48 -0.75 4.13 3.49 3dh9A1 VAL 116 HB -0.44 0.13 0.16 -0.04 2.12 1.93 3dh9A1 VAL 116 HG13 -0.19 -0.01 -0.07 -0.04 0.97 0.65 3dh9A1 VAL 116 HG23 -1.23 0.02 0.02 -0.04 0.95 -0.28 3dh9A1 ASP 117 H -0.21 0.57 -0.13 -0.55 8.40 8.08 3dh9A1 ASP 117 HA -0.10 0.02 0.42 -0.75 4.63 4.21 3dh9A1 ASP 117 HB2 -0.10 0.05 0.10 -0.04 2.71 2.73 3dh9A1 ASP 117 HB3 -0.11 0.08 0.16 -0.04 2.70 2.80 3dh9A1 LEU 118 H -0.13 0.51 -0.14 -0.55 8.37 8.06 3dh9A1 LEU 118 HA -0.06 0.00 0.41 -0.75 4.35 3.94 3dh9A1 LEU 118 HB2 -0.10 0.12 0.16 -0.04 1.64 1.78 3dh9A1 LEU 118 HB3 -0.04 0.06 -0.03 -0.04 1.64 1.59 3dh9A1 LEU 118 HG -0.13 0.24 0.05 -0.04 1.64 1.76 3dh9A1 LEU 118 HD13 -0.23 -0.04 -0.09 -0.04 0.93 0.53 3dh9A1 LEU 118 HD23 -0.07 -0.03 -0.07 -0.04 0.89 0.69 3dh9A1 ARG 119 H -0.09 0.39 -0.05 -0.55 8.46 8.15 3dh9A1 ARG 119 HA -0.02 0.06 0.45 -0.75 4.34 4.07 3dh9A1 ARG 119 HB2 -0.07 0.06 0.20 -0.04 1.90 2.05 3dh9A1 ARG 119 HB3 -0.10 0.08 0.15 -0.04 1.80 1.90 3dh9A1 ARG 119 HG2 -0.02 0.01 0.03 -0.04 1.67 1.65 3dh9A1 ARG 119 HG3 -0.01 -0.04 0.06 -0.04 1.67 1.64 3dh9A1 ARG 119 HD2 -0.04 0.02 -0.03 -0.04 3.22 3.13 3dh9A1 ARG 119 HD3 -0.01 -0.03 0.00 -0.04 3.22 3.13 3dh9A1 ASP 120 H -0.08 0.61 -0.15 -0.55 8.40 8.23 3dh9A1 ASP 120 HA -0.04 0.00 0.42 -0.75 4.63 4.26 3dh9A1 ASP 120 HB2 -0.07 0.07 0.18 -0.04 2.71 2.85 3dh9A1 ASP 120 HB3 -0.04 -0.05 -0.00 -0.04 2.70 2.56 3dh9A1 LYS 121 H -0.05 0.57 -0.12 -0.55 8.42 8.26 3dh9A1 LYS 121 HA -0.03 0.07 0.61 -0.75 4.32 4.22 3dh9A1 LYS 121 HB2 -0.04 0.01 0.12 -0.04 1.87 1.92 3dh9A1 LYS 121 HB3 -0.03 -0.04 0.11 -0.04 1.79 1.78 3dh9A1 LYS 121 HG2 -0.03 -0.01 0.02 -0.04 1.46 1.40 3dh9A1 LYS 121 HG3 -0.04 0.04 0.01 -0.04 1.46 1.43 3dh9A1 LYS 121 HD2 -0.04 -0.03 -0.08 -0.04 1.69 1.49 3dh9A1 LYS 121 HD3 -0.03 -0.03 -0.02 -0.04 1.68 1.55 3dh9A1 LYS 121 HE2 -0.03 -0.07 -0.05 -0.04 2.99 2.79 3dh9A1 LYS 121 HE3 -0.03 0.03 -0.03 -0.04 2.99 2.91 3dh9A1 LYS 122 H -0.03 0.30 -0.67 -0.55 8.42 7.47 3dh9A1 LYS 122 HA -0.01 0.03 0.27 -0.75 4.32 3.86 3dh9A1 LYS 122 HB2 -0.02 0.17 0.13 -0.04 1.87 2.11 3dh9A1 LYS 122 HB3 -0.01 -0.11 0.17 -0.04 1.79 1.80 3dh9A1 LYS 122 HG2 -0.02 0.09 -0.37 -0.04 1.46 1.12 3dh9A1 LYS 122 HG3 -0.01 -0.04 -0.09 -0.04 1.46 1.27 3dh9A1 LYS 122 HD2 -0.01 -0.07 0.03 -0.04 1.69 1.61 3dh9A1 LYS 122 HD3 -0.01 0.10 0.02 -0.04 1.68 1.74 3dh9A1 LYS 122 HE2 -0.01 -0.03 0.01 -0.04 2.99 2.92 3dh9A1 LYS 122 HE3 -0.01 -0.07 0.01 -0.04 2.99 2.89 3dh9A1 VAL 123 H -0.02 0.55 -0.19 -0.55 8.24 8.02 3dh9A1 VAL 123 HA -0.01 0.15 0.73 -0.75 4.13 4.24 3dh9A1 VAL 123 HB -0.02 -0.08 0.01 -0.04 2.12 1.98 3dh9A1 VAL 123 HG13 -0.01 -0.04 -0.40 -0.04 0.97 0.49 3dh9A1 VAL 123 HG23 -0.03 0.01 -0.21 -0.04 0.95 0.69 3dh9A1 GLU 124 H 0.00 0.40 0.14 -0.55 8.60 8.59 3dh9A1 GLU 124 HA 0.03 0.05 0.53 -0.75 4.29 4.15 3dh9A1 GLU 124 HB2 0.06 0.12 0.15 -0.04 2.09 2.37 3dh9A1 GLU 124 HB3 -0.03 -0.05 0.30 -0.04 1.99 2.16 3dh9A1 GLU 124 HG2 -0.00 -0.03 -0.22 -0.04 2.34 2.05 3dh9A1 GLU 124 HG3 0.04 0.02 -0.01 -0.04 2.34 2.35 3dh9A1 TYR 125 H 0.10 0.22 0.17 -0.55 8.29 8.23 3dh9A1 TYR 125 HA -0.04 0.22 0.76 -0.75 4.56 4.75 3dh9A1 TYR 125 HB2 -0.03 0.00 -0.04 -0.04 3.06 2.95 3dh9A1 TYR 125 HB3 -0.03 0.03 0.13 -0.04 2.98 3.08 3dh9A1 TYR 125 HD2 -0.01 0.09 -0.03 -0.04 7.15 7.15 3dh9A1 TYR 125 HE2 0.02 -0.00 -0.04 -0.04 6.85 6.79 3dh9A1 ILE 126 H 0.02 0.67 0.33 -0.55 8.25 8.72 3dh9A1 ILE 126 HA -0.26 0.22 1.00 -0.75 4.18 4.39 3dh9A1 ILE 126 HB -0.07 -0.07 0.03 -0.04 1.89 1.75 3dh9A1 ILE 126 HG12 -0.10 -0.00 -0.17 -0.04 1.49 1.17 3dh9A1 ILE 126 HG13 -0.07 -0.01 -0.15 -0.04 1.21 0.95 3dh9A1 ILE 126 HG23 -0.08 -0.01 -0.27 -0.04 0.93 0.53 3dh9A1 ILE 126 HD13 -0.06 0.00 -0.40 -0.04 0.88 0.38 3dh9A1 ASN 127 H -0.37 0.20 0.05 -0.55 8.53 7.87 3dh9A1 ASN 127 HA -0.01 0.33 0.84 -0.75 4.76 5.16 3dh9A1 ASN 127 HB2 -0.34 -0.00 0.11 -0.04 2.88 2.60 3dh9A1 ASN 127 HB3 -0.09 -0.04 0.25 -0.04 2.79 2.86 3dh9A1 ASN 127 HD21 0.07 0.01 0.04 -0.04 7.03 7.11 3dh9A1 ASN 127 HD22 0.05 -0.02 0.07 -0.04 7.74 7.81 3dh9A1 GLY 128 H 0.03 0.34 -0.08 -0.55 8.43 8.18 3dh9A1 GLY 128 HA2 -0.10 0.21 0.60 -0.51 4.01 4.20 3dh9A1 GLY 128 HA3 -0.08 -0.03 -0.03 -0.51 4.01 3.36 3dh9A1 LEU 129 H -0.29 0.60 0.20 -0.55 8.37 8.33 3dh9A1 LEU 129 HA -0.06 0.03 0.58 -0.75 4.35 4.15 3dh9A1 LEU 129 HB2 -0.62 0.01 0.03 -0.04 1.64 1.02 3dh9A1 LEU 129 HB3 -0.26 0.01 0.16 -0.04 1.64 1.51 3dh9A1 LEU 129 HG -0.07 0.10 -0.17 -0.04 1.64 1.46 3dh9A1 LEU 129 HD13 0.06 -0.02 -0.07 -0.04 0.93 0.86 3dh9A1 LEU 129 HD23 -0.12 -0.00 -0.07 -0.04 0.89 0.66 3dh9A1 GLY 130 H -0.03 0.10 0.12 -0.55 8.43 8.07 3dh9A1 GLY 130 HA2 -0.09 0.38 0.87 -0.51 4.01 4.66 3dh9A1 GLY 130 HA3 -0.09 -0.06 0.21 -0.51 4.01 3.56 3dh9A1 SER 131 H -0.12 0.56 0.31 -0.55 8.46 8.66 3dh9A1 SER 131 HA -0.10 0.11 0.85 -0.75 4.49 4.60 3dh9A1 SER 131 HB2 -0.01 0.06 -0.11 -0.04 3.95 3.85 3dh9A1 SER 131 HB3 -0.04 0.13 -0.09 -0.04 3.93 3.89 3dh9A1 PHE 132 H 0.11 0.77 0.25 -0.55 8.34 8.91 3dh9A1 PHE 132 HA -0.12 0.06 0.62 -0.75 4.62 4.42 3dh9A1 PHE 132 HB2 -0.10 0.11 0.00 -0.04 3.15 3.13 3dh9A1 PHE 132 HB3 -0.14 -0.03 -0.27 -0.04 3.06 2.58 3dh9A1 PHE 132 HD2 -0.30 0.18 -0.10 -0.04 7.28 7.02 3dh9A1 PHE 132 HE2 -0.92 0.00 -0.14 -0.04 7.38 6.27 3dh9A1 PHE 132 HZ -0.18 -0.02 -0.13 -0.04 7.32 6.95 3dh9A1 VAL 133 H 0.05 0.61 0.38 -0.55 8.24 8.72 3dh9A1 VAL 133 HA 0.04 0.12 0.79 -0.75 4.13 4.33 3dh9A1 VAL 133 HB 0.06 -0.06 -0.07 -0.04 2.12 2.01 3dh9A1 VAL 133 HG13 0.04 -0.01 -0.11 -0.04 0.97 0.86 3dh9A1 VAL 133 HG23 0.02 -0.02 -0.09 -0.04 0.95 0.82 3dh9A1 ASP 134 H 0.09 0.42 0.34 -0.55 8.40 8.71 3dh9A1 ASP 134 HA 0.00 0.41 0.30 -0.75 4.63 4.59 3dh9A1 ASP 134 HB2 0.05 -0.04 0.20 -0.04 2.71 2.88 3dh9A1 ASP 134 HB3 0.04 0.19 0.08 -0.04 2.70 2.97 3dh9A1 SER 135 H -0.04 0.25 0.18 -0.55 8.46 8.31 3dh9A1 SER 135 HA -0.36 0.05 0.32 -0.75 4.49 3.74 3dh9A1 SER 135 HB2 -0.21 -0.05 0.17 -0.04 3.95 3.82 3dh9A1 SER 135 HB3 -0.15 0.26 0.25 -0.04 3.93 4.24 3dh9A1 HIS 136 H 0.16 -0.07 -0.51 -0.55 8.41 7.44 3dh9A1 HIS 136 HA 0.31 0.30 0.79 -0.75 4.63 5.27 3dh9A1 HIS 136 HB2 0.13 -0.08 0.01 -0.04 3.26 3.28 3dh9A1 HIS 136 HB3 -0.01 -0.02 0.15 -0.04 3.20 3.28 3dh9A1 HIS 136 HD2 -0.64 0.25 0.26 -0.04 6.97 6.79 3dh9A1 HIS 136 HE1 0.06 -0.07 -0.03 -0.04 7.75 7.67 3dh9A1 THR 137 H 0.11 0.55 0.09 -0.55 8.28 8.49 3dh9A1 THR 137 HA 0.28 0.30 1.09 -0.75 4.39 5.31 3dh9A1 THR 137 HB 0.10 -0.14 0.02 -0.04 4.32 4.27 3dh9A1 THR 137 HG23 0.11 0.01 -0.16 -0.04 1.22 1.14 3dh9A1 LEU 138 H 0.19 0.73 0.32 -0.55 8.37 9.07 3dh9A1 LEU 138 HA -0.10 0.18 0.97 -0.75 4.35 4.64 3dh9A1 LEU 138 HB2 0.14 0.02 -0.23 -0.04 1.64 1.53 3dh9A1 LEU 138 HB3 0.15 -0.03 -0.01 -0.04 1.64 1.72 3dh9A1 LEU 138 HG -0.14 0.10 -0.19 -0.04 1.64 1.37 3dh9A1 LEU 138 HD13 -0.70 0.00 -0.38 -0.04 0.93 -0.19 3dh9A1 LEU 138 HD23 0.01 -0.03 -0.24 -0.04 0.89 0.59 3dh9A1 LEU 139 H -0.05 0.56 0.27 -0.55 8.37 8.59 3dh9A1 LEU 139 HA -0.00 0.19 0.96 -0.75 4.35 4.75 3dh9A1 LEU 139 HB2 -0.01 -0.03 0.05 -0.04 1.64 1.61 3dh9A1 LEU 139 HB3 -0.03 0.05 0.16 -0.04 1.64 1.78 3dh9A1 LEU 139 HG -0.04 0.01 -0.39 -0.04 1.64 1.17 3dh9A1 LEU 139 HD13 -0.01 0.01 -0.12 -0.04 0.93 0.76 3dh9A1 LEU 139 HD23 -0.02 -0.00 -0.09 -0.04 0.89 0.74 3dh9A1 ALA 140 H -0.02 0.78 0.29 -0.55 8.40 8.90 3dh9A1 ALA 140 HA -0.07 0.20 0.62 -0.75 4.34 4.34 3dh9A1 ALA 140 HB3 -0.04 -0.03 -0.09 -0.04 1.41 1.21 3dh9A1 LYS 141 H -0.11 0.65 0.16 -0.55 8.42 8.57 3dh9A1 LYS 141 HA -0.08 0.21 1.18 -0.75 4.32 4.88 3dh9A1 LYS 141 HB2 -0.19 -0.11 0.21 -0.04 1.87 1.74 3dh9A1 LYS 141 HB3 -0.13 0.09 0.07 -0.04 1.79 1.78 3dh9A1 LYS 141 HG2 -0.07 -0.01 -0.18 -0.04 1.46 1.16 3dh9A1 LYS 141 HG3 -0.10 0.09 -0.05 -0.04 1.46 1.37 3dh9A1 LYS 141 HD2 -0.06 -0.01 -0.05 -0.04 1.69 1.53 3dh9A1 LYS 141 HD3 -0.07 -0.01 -0.05 -0.04 1.68 1.51 3dh9A1 LYS 141 HE2 -0.08 -0.03 -0.02 -0.04 2.99 2.82 3dh9A1 LYS 141 HE3 -0.15 -0.04 -0.01 -0.04 2.99 2.75 3dh9A1 LEU 142 H -0.07 0.61 0.15 -0.55 8.37 8.51 3dh9A1 LEU 142 HA -0.07 0.15 0.48 -0.75 4.35 4.16 3dh9A1 LEU 142 HB2 -0.04 0.07 -0.41 -0.04 1.64 1.22 3dh9A1 LEU 142 HB3 -0.03 -0.08 -0.13 -0.04 1.64 1.36 3dh9A1 LEU 142 HG -0.04 0.02 -0.27 -0.04 1.64 1.32 3dh9A1 LEU 142 HD13 -0.06 0.04 -0.15 -0.04 0.93 0.71 3dh9A1 LEU 142 HD23 -0.06 0.02 -0.48 -0.04 0.89 0.34 3dh9A1 LYS 143 H -0.01 0.16 0.13 -0.55 8.42 8.14 3dh9A1 LYS 143 HA 0.02 0.06 0.39 -0.75 4.32 4.04 3dh9A1 LYS 143 HB2 0.02 -0.00 0.19 -0.04 1.87 2.04 3dh9A1 LYS 143 HB3 0.01 -0.01 0.06 -0.04 1.79 1.81 3dh9A1 LYS 143 HG2 0.04 0.00 0.03 -0.04 1.46 1.48 3dh9A1 LYS 143 HG3 0.08 0.02 0.09 -0.04 1.46 1.61 3dh9A1 LYS 143 HD2 0.05 -0.01 0.07 -0.04 1.69 1.76 3dh9A1 LYS 143 HD3 0.04 -0.01 0.03 -0.04 1.68 1.70 3dh9A1 LYS 143 HE2 0.05 -0.02 0.03 -0.04 2.99 3.01 3dh9A1 LYS 143 HE3 0.06 0.01 0.02 -0.04 2.99 3.04 3dh9A1 SER 144 H -0.01 0.07 -0.20 -0.55 8.46 7.77 3dh9A1 SER 144 HA -0.02 0.21 0.52 -0.75 4.49 4.45 3dh9A1 SER 144 HB2 -0.01 0.02 0.11 -0.04 3.95 4.03 3dh9A1 SER 144 HB3 -0.00 -0.03 -0.10 -0.04 3.93 3.76 3dh9A1 GLY 145 H -0.03 0.31 0.03 -0.55 8.43 8.20 3dh9A1 GLY 145 HA2 -0.02 0.03 0.30 -0.51 4.01 3.81 3dh9A1 GLY 145 HA3 -0.02 0.20 0.90 -0.51 4.01 4.58 3dh9A1 GLU 146 H -0.02 0.34 0.23 -0.55 8.60 8.60 3dh9A1 GLU 146 HA -0.04 0.27 1.05 -0.75 4.29 4.83 3dh9A1 GLU 146 HB2 -0.02 -0.06 -0.04 -0.04 2.09 1.93 3dh9A1 GLU 146 HB3 -0.02 0.03 -0.09 -0.04 1.99 1.87 3dh9A1 GLU 146 HG2 -0.04 0.09 0.01 -0.04 2.34 2.35 3dh9A1 GLU 146 HG3 -0.03 -0.08 -0.51 -0.04 2.34 1.68 3dh9A1 ARG 147 H -0.02 0.49 0.32 -0.55 8.46 8.70 3dh9A1 ARG 147 HA 0.01 0.19 0.80 -0.75 4.34 4.58 3dh9A1 ARG 147 HB2 0.01 -0.07 -0.01 -0.04 1.90 1.79 3dh9A1 ARG 147 HB3 0.03 0.07 -0.02 -0.04 1.80 1.84 3dh9A1 ARG 147 HG2 0.00 0.17 -0.21 -0.04 1.67 1.59 3dh9A1 ARG 147 HG3 -0.01 -0.06 -0.22 -0.04 1.67 1.34 3dh9A1 ARG 147 HD2 0.03 0.04 -0.01 -0.04 3.22 3.23 3dh9A1 ARG 147 HD3 0.01 0.01 -0.06 -0.04 3.22 3.14 3dh9A1 THR 148 H 0.03 0.21 0.14 -0.55 8.28 8.12 3dh9A1 THR 148 HA 0.04 0.32 1.12 -0.75 4.39 5.12 3dh9A1 THR 148 HB 0.04 -0.01 0.12 -0.04 4.32 4.43 3dh9A1 THR 148 HG23 0.06 -0.00 -0.16 -0.04 1.22 1.08 3dh9A1 ILE 149 H 0.09 0.74 0.32 -0.55 8.25 8.86 3dh9A1 ILE 149 HA 0.14 0.17 1.03 -0.75 4.18 4.77 3dh9A1 ILE 149 HB 0.29 0.08 -0.05 -0.04 1.89 2.17 3dh9A1 ILE 149 HG12 0.06 -0.01 -0.13 -0.04 1.49 1.38 3dh9A1 ILE 149 HG13 0.10 -0.02 -0.05 -0.04 1.21 1.20 3dh9A1 ILE 149 HG23 0.21 -0.02 -0.19 -0.04 0.93 0.89 3dh9A1 ILE 149 HD13 -0.08 -0.01 -0.17 -0.04 0.88 0.58 3dh9A1 THR 150 H 0.19 0.08 0.23 -0.55 8.28 8.23 3dh9A1 THR 150 HA 0.29 0.40 1.24 -0.75 4.39 5.56 3dh9A1 THR 150 HB 0.40 0.18 0.14 -0.04 4.32 5.00 3dh9A1 THR 150 HG23 0.22 -0.00 -0.10 -0.04 1.22 1.30 3dh9A1 ALA 151 H 0.10 0.58 0.22 -0.55 8.40 8.75 3dh9A1 ALA 151 HA 0.03 0.17 0.48 -0.75 4.34 4.27 3dh9A1 ALA 151 HB3 -0.51 0.01 -0.31 -0.04 1.41 0.56 3dh9A1 GLN 152 H 0.02 0.40 0.23 -0.55 8.47 8.57 3dh9A1 GLN 152 HA -0.23 0.00 0.69 -0.75 4.36 4.07 3dh9A1 GLN 152 HB2 0.25 -0.11 0.25 -0.04 2.15 2.51 3dh9A1 GLN 152 HB3 0.12 0.26 0.37 -0.04 2.02 2.74 3dh9A1 GLN 152 HG2 0.17 0.01 0.07 -0.04 2.40 2.61 3dh9A1 GLN 152 HG3 0.14 0.01 -0.04 -0.04 2.39 2.46 3dh9A1 GLN 152 HE21 0.22 0.10 -0.06 -0.04 6.97 7.19 3dh9A1 GLN 152 HE22 0.20 -0.01 0.04 -0.04 7.69 7.87 3dh9A1 THR 153 H -0.02 0.61 0.22 -0.55 8.28 8.54 3dh9A1 THR 153 HA 0.11 0.30 1.03 -0.75 4.39 5.06 3dh9A1 THR 153 HB 0.18 0.17 0.16 -0.04 4.32 4.79 3dh9A1 THR 153 HG23 0.06 0.04 -0.05 -0.04 1.22 1.23 3dh9A1 PHE 154 H 0.34 0.53 0.31 -0.55 8.34 8.96 3dh9A1 PHE 154 HA 0.09 0.22 0.99 -0.75 4.62 5.16 3dh9A1 PHE 154 HB2 0.18 -0.01 0.14 -0.04 3.15 3.43 3dh9A1 PHE 154 HB3 0.28 -0.06 -0.09 -0.04 3.06 3.15 3dh9A1 PHE 154 HD2 -0.02 0.04 -0.21 -0.04 7.28 7.06 3dh9A1 PHE 154 HE2 -0.06 -0.00 -0.23 -0.04 7.38 7.04 3dh9A1 PHE 154 HZ 0.05 0.03 -0.39 -0.04 7.32 6.97 3dh9A1 VAL 155 H 0.12 0.51 0.23 -0.55 8.24 8.56 3dh9A1 VAL 155 HA 0.23 0.24 1.01 -0.75 4.13 4.86 3dh9A1 VAL 155 HB 0.07 -0.06 0.06 -0.04 2.12 2.14 3dh9A1 VAL 155 HG13 0.09 -0.03 -0.30 -0.04 0.97 0.70 3dh9A1 VAL 155 HG23 0.02 0.03 -0.21 -0.04 0.95 0.75 3dh9A1 ILE 156 H 0.19 1.07 0.37 -0.55 8.25 9.33 3dh9A1 ILE 156 HA 0.15 0.08 0.90 -0.75 4.18 4.56 3dh9A1 ILE 156 HB 0.13 0.00 0.30 -0.04 1.89 2.29 3dh9A1 ILE 156 HG12 0.32 -0.01 -0.03 -0.04 1.49 1.72 3dh9A1 ILE 156 HG13 0.27 0.11 -0.05 -0.04 1.21 1.50 3dh9A1 ILE 156 HG23 0.12 -0.05 -0.04 -0.04 0.93 0.92 3dh9A1 ILE 156 HD13 0.11 -0.00 -0.07 -0.04 0.88 0.87 3dh9A1 ALA 157 H 0.09 0.79 0.32 -0.55 8.40 9.06 3dh9A1 ALA 157 HA 0.09 0.24 0.95 -0.75 4.34 4.86 3dh9A1 ALA 157 HB3 0.07 -0.03 -0.06 -0.04 1.41 1.35 3dh9A1 VAL 158 H 0.09 0.17 0.00 -0.55 8.24 7.95 3dh9A1 VAL 158 HA 0.08 0.06 0.32 -0.75 4.13 3.84 3dh9A1 VAL 158 HB 0.08 0.04 0.10 -0.04 2.12 2.30 3dh9A1 VAL 158 HG13 0.08 0.00 -0.02 -0.04 0.97 0.99 3dh9A1 VAL 158 HG23 0.08 0.06 -0.11 -0.04 0.95 0.94 3dh9A1 GLY 159 H 0.08 -0.02 -0.10 -0.55 8.43 7.84 3dh9A1 GLY 159 HA2 0.08 -0.16 0.27 -0.51 4.01 3.69 3dh9A1 GLY 159 HA3 0.09 0.01 0.28 -0.51 4.01 3.89 3dh9A1 GLY 160 H 0.10 0.06 0.15 -0.55 8.43 8.20 3dh9A1 GLY 160 HA2 0.08 0.18 0.88 -0.51 4.01 4.64 3dh9A1 GLY 160 HA3 0.08 -0.03 0.02 -0.51 4.01 3.58 3dh9A1 ARG 161 H 0.09 0.60 0.27 -0.55 8.46 8.87 3dh9A1 ARG 161 HA 0.14 0.08 0.53 -0.75 4.34 4.34 3dh9A1 ARG 161 HB2 0.12 0.01 0.05 -0.04 1.90 2.04 3dh9A1 ARG 161 HB3 0.16 0.08 0.12 -0.04 1.80 2.12 3dh9A1 ARG 161 HG2 0.13 -0.05 -0.38 -0.04 1.67 1.33 3dh9A1 ARG 161 HG3 0.12 0.03 -0.02 -0.04 1.67 1.76 3dh9A1 ARG 161 HD2 0.24 -0.02 0.23 -0.04 3.22 3.62 3dh9A1 ARG 161 HD3 0.22 -0.04 0.05 -0.04 3.22 3.40 3dh9A1 PRO 162 HA 0.03 0.07 0.54 -0.51 4.44 4.57 3dh9A1 PRO 162 HB2 0.00 0.10 0.06 -0.04 2.28 2.40 3dh9A1 PRO 162 HB3 -0.01 0.02 0.18 -0.04 2.02 2.17 3dh9A1 PRO 162 HG2 0.10 -0.06 0.14 -0.04 2.03 2.17 3dh9A1 PRO 162 HG3 0.07 -0.01 0.13 -0.04 2.03 2.18 3dh9A1 PRO 162 HD2 0.17 0.19 0.21 -0.04 3.68 4.22 3dh9A1 PRO 162 HD3 0.15 0.11 0.22 -0.04 3.65 4.09 3dh9A1 ARG 163 H -0.00 0.53 0.29 -0.55 8.46 8.72 3dh9A1 ARG 163 HA 0.06 0.15 0.68 -0.75 4.34 4.48 3dh9A1 ARG 163 HB2 -0.03 -0.05 -0.20 -0.04 1.90 1.58 3dh9A1 ARG 163 HB3 -0.01 0.08 -0.06 -0.04 1.80 1.77 3dh9A1 ARG 163 HG2 0.03 0.02 -0.11 -0.04 1.67 1.57 3dh9A1 ARG 163 HG3 0.02 -0.09 -0.50 -0.04 1.67 1.06 3dh9A1 ARG 163 HD2 -0.00 0.09 -0.18 -0.04 3.22 3.08 3dh9A1 ARG 163 HD3 -0.00 0.05 -0.10 -0.04 3.22 3.13 3dh9A1 TYR 164 H 0.11 0.21 0.16 -0.55 8.29 8.21 3dh9A1 TYR 164 HA -0.33 0.18 0.84 -0.75 4.56 4.50 3dh9A1 TYR 164 HB2 -0.10 -0.05 0.07 -0.04 3.06 2.95 3dh9A1 TYR 164 HB3 -0.25 0.10 -0.04 -0.04 2.98 2.76 3dh9A1 TYR 164 HD2 -0.01 -0.02 -0.21 -0.04 7.15 6.87 3dh9A1 TYR 164 HE2 0.22 0.11 -0.08 -0.04 6.85 7.06 3dh9A1 PRO 165 HA -0.22 0.06 0.45 -0.51 4.44 4.21 3dh9A1 PRO 165 HB2 -0.40 0.09 -0.11 -0.04 2.28 1.82 3dh9A1 PRO 165 HB3 -0.42 0.02 0.06 -0.04 2.02 1.63 3dh9A1 PRO 165 HG2 -1.30 -0.00 -0.01 -0.04 2.03 0.68 3dh9A1 PRO 165 HG3 -2.31 0.05 0.00 -0.04 2.03 -0.27 3dh9A1 PRO 165 HD2 -1.48 0.12 0.19 -0.04 3.68 2.47 3dh9A1 PRO 165 HD3 -1.02 0.11 0.12 -0.04 3.65 2.82 3dh9A1 ASP 166 H -0.12 0.13 0.10 -0.55 8.40 7.97 3dh9A1 ASP 166 HA -0.08 0.13 0.81 -0.75 4.63 4.73 3dh9A1 ASP 166 HB2 -0.05 0.00 0.09 -0.04 2.71 2.71 3dh9A1 ASP 166 HB3 -0.05 -0.01 0.22 -0.04 2.70 2.82 3dh9A1 ILE 167 H -0.09 0.40 0.06 -0.55 8.25 8.07 3dh9A1 ILE 167 HA -0.02 0.24 0.65 -0.75 4.18 4.29 3dh9A1 ILE 167 HB -0.16 -0.20 -0.46 -0.04 1.89 1.02 3dh9A1 ILE 167 HG12 -0.00 -0.03 -0.42 -0.04 1.49 0.99 3dh9A1 ILE 167 HG13 -0.00 0.22 0.05 -0.04 1.21 1.43 3dh9A1 ILE 167 HG23 -0.05 -0.01 -0.33 -0.04 0.93 0.50 3dh9A1 ILE 167 HD13 -0.06 0.02 -0.19 -0.04 0.88 0.61 3dh9A1 PRO 168 HA 0.03 0.02 0.81 -0.51 4.44 4.78 3dh9A1 PRO 168 HB2 0.07 0.03 0.10 -0.04 2.28 2.45 3dh9A1 PRO 168 HB3 0.05 0.03 0.14 -0.04 2.02 2.19 3dh9A1 PRO 168 HG2 0.03 0.06 0.11 -0.04 2.03 2.20 3dh9A1 PRO 168 HG3 0.02 0.04 0.08 -0.04 2.03 2.13 3dh9A1 PRO 168 HD2 0.05 0.22 0.39 -0.04 3.68 4.30 3dh9A1 PRO 168 HD3 0.01 0.18 0.29 -0.04 3.65 4.10 3dh9A1 GLY 169 H 0.05 0.12 0.23 -0.55 8.43 8.27 3dh9A1 GLY 169 HA2 0.05 -0.01 0.39 -0.51 4.01 3.93 3dh9A1 GLY 169 HA3 0.36 0.46 0.75 -0.51 4.01 5.07 3dh9A1 ALA 170 H 0.09 0.29 -0.35 -0.55 8.40 7.88 3dh9A1 ALA 170 HA 0.55 0.05 0.19 -0.75 4.34 4.37 3dh9A1 ALA 170 HB3 -0.13 -0.02 0.07 -0.04 1.41 1.28 3dh9A1 VAL 171 H -0.05 0.07 0.02 -0.55 8.24 7.74 3dh9A1 VAL 171 HA -0.04 0.22 0.67 -0.75 4.13 4.23 3dh9A1 VAL 171 HB -0.90 0.06 0.07 -0.04 2.12 1.31 3dh9A1 VAL 171 HG13 -0.32 -0.01 0.05 -0.04 0.97 0.65 3dh9A1 VAL 171 HG23 -0.19 0.01 -0.16 -0.04 0.95 0.56 3dh9A1 GLU 172 H -0.15 -0.07 -0.17 -0.55 8.60 7.66 3dh9A1 GLU 172 HA -0.15 0.08 0.42 -0.75 4.29 3.88 3dh9A1 GLU 172 HB2 -0.78 0.05 0.04 -0.04 2.09 1.37 3dh9A1 GLU 172 HB3 -0.29 -0.03 0.09 -0.04 1.99 1.72 3dh9A1 GLU 172 HG2 -0.83 0.08 0.07 -0.04 2.34 1.61 3dh9A1 GLU 172 HG3 -0.55 0.02 0.06 -0.04 2.34 1.82 3dh9A1 TYR 173 H 0.09 0.42 -0.27 -0.55 8.29 7.98 3dh9A1 TYR 173 HA 0.06 0.19 0.68 -0.75 4.56 4.73 3dh9A1 TYR 173 HB2 0.12 0.07 -0.05 -0.04 3.06 3.16 3dh9A1 TYR 173 HB3 0.05 -0.03 -0.06 -0.04 2.98 2.90 3dh9A1 TYR 173 HD2 0.06 0.15 -0.12 -0.04 7.15 7.20 3dh9A1 TYR 173 HE2 0.04 0.02 0.02 -0.04 6.85 6.89 3dh9A1 GLY 174 H 0.38 0.37 0.09 -0.55 8.43 8.72 3dh9A1 GLY 174 HA2 -0.18 0.09 0.91 -0.51 4.01 4.32 3dh9A1 GLY 174 HA3 0.02 -0.05 0.44 -0.51 4.01 3.92 3dh9A1 ILE 175 H -0.31 0.60 0.49 -0.55 8.25 8.47 3dh9A1 ILE 175 HA 0.13 0.23 0.80 -0.75 4.18 4.58 3dh9A1 ILE 175 HB -0.00 -0.17 0.22 -0.04 1.89 1.89 3dh9A1 ILE 175 HG12 -0.18 0.08 -0.06 -0.04 1.49 1.29 3dh9A1 ILE 175 HG13 -0.18 -0.12 -0.19 -0.04 1.21 0.68 3dh9A1 ILE 175 HG23 0.01 0.04 -0.12 -0.04 0.93 0.82 3dh9A1 ILE 175 HD13 -0.11 -0.01 -0.10 -0.04 0.88 0.63 3dh9A1 THR 176 H 0.03 0.09 0.25 -0.55 8.28 8.11 3dh9A1 THR 176 HA -0.08 0.33 0.87 -0.75 4.39 4.76 3dh9A1 THR 176 HB -0.04 -0.05 0.29 -0.04 4.32 4.49 3dh9A1 THR 176 HG23 -0.26 0.07 -0.18 -0.04 1.22 0.82 3dh9A1 SER 177 H -0.03 0.22 0.23 -0.55 8.46 8.34 3dh9A1 SER 177 HA -0.24 0.09 0.38 -0.75 4.49 3.97 3dh9A1 SER 177 HB2 0.14 0.15 0.10 -0.04 3.95 4.30 3dh9A1 SER 177 HB3 -0.01 -0.00 0.10 -0.04 3.93 3.98 3dh9A1 ASP 178 H 0.05 -0.00 -0.29 -0.55 8.40 7.61 3dh9A1 ASP 178 HA -0.06 0.12 0.44 -0.75 4.63 4.38 3dh9A1 ASP 178 HB2 0.22 -0.04 0.06 -0.04 2.71 2.91 3dh9A1 ASP 178 HB3 0.45 0.10 -0.03 -0.04 2.70 3.19 3dh9A1 ASP 179 H 0.05 0.10 -0.17 -0.55 8.40 7.83 3dh9A1 ASP 179 HA 0.13 0.14 0.53 -0.75 4.63 4.68 3dh9A1 ASP 179 HB2 0.03 -0.01 0.22 -0.04 2.71 2.91 3dh9A1 ASP 179 HB3 0.07 0.07 0.02 -0.04 2.70 2.81 3dh9A1 LEU 180 H -0.11 0.34 0.02 -0.55 8.37 8.08 3dh9A1 LEU 180 HA 0.00 0.05 0.19 -0.75 4.35 3.84 3dh9A1 LEU 180 HB2 -0.28 0.02 0.08 -0.04 1.64 1.41 3dh9A1 LEU 180 HB3 -0.81 0.04 -0.01 -0.04 1.64 0.83 3dh9A1 LEU 180 HG -0.17 -0.04 -0.09 -0.04 1.64 1.30 3dh9A1 LEU 180 HD13 -0.09 -0.01 -0.11 -0.04 0.93 0.68 3dh9A1 LEU 180 HD23 0.08 0.02 -0.05 -0.04 0.89 0.89 3dh9A1 PHE 181 H -0.21 0.25 -0.26 -0.55 8.34 7.57 3dh9A1 PHE 181 HA 0.03 0.12 0.50 -0.75 4.62 4.52 3dh9A1 PHE 181 HB2 -0.08 0.11 0.03 -0.04 3.15 3.16 3dh9A1 PHE 181 HB3 -0.10 -0.03 0.12 -0.04 3.06 3.01 3dh9A1 PHE 181 HD2 -0.08 0.10 -0.04 -0.04 7.28 7.21 3dh9A1 PHE 181 HE2 0.09 0.06 -0.12 -0.04 7.38 7.36 3dh9A1 PHE 181 HZ 0.18 -0.09 -0.08 -0.04 7.32 7.29 3dh9A1 SER 182 H 0.12 0.40 -0.36 -0.55 8.46 8.08 3dh9A1 SER 182 HA 0.03 0.17 0.59 -0.75 4.49 4.52 3dh9A1 SER 182 HB2 0.09 -0.05 0.18 -0.04 3.95 4.12 3dh9A1 SER 182 HB3 0.07 0.00 0.06 -0.04 3.93 4.02 3dh9A1 LEU 183 H 0.27 0.37 -0.08 -0.55 8.37 8.38 3dh9A1 LEU 183 HA 0.17 -0.08 0.16 -0.75 4.35 3.85 3dh9A1 LEU 183 HB2 0.50 0.08 0.14 -0.04 1.64 2.32 3dh9A1 LEU 183 HB3 0.28 0.32 -0.08 -0.04 1.64 2.12 3dh9A1 LEU 183 HG 0.08 -0.11 -0.13 -0.04 1.64 1.44 3dh9A1 LEU 183 HD13 -0.13 0.00 -0.16 -0.04 0.93 0.60 3dh9A1 LEU 183 HD23 0.06 -0.03 -0.08 -0.04 0.89 0.80 3dh9A1 ASP 184 H 0.15 0.05 0.19 -0.55 8.40 8.24 3dh9A1 ASP 184 HA 0.21 0.08 0.50 -0.75 4.63 4.67 3dh9A1 ASP 184 HB2 0.11 -0.05 0.16 -0.04 2.71 2.88 3dh9A1 ASP 184 HB3 0.10 -0.02 -0.06 -0.04 2.70 2.68 3dh9A1 ARG 185 H 0.13 0.01 -0.09 -0.55 8.46 7.97 3dh9A1 ARG 185 HA 0.19 0.06 0.66 -0.75 4.34 4.50 3dh9A1 ARG 185 HB2 -0.02 0.16 -0.01 -0.04 1.90 1.98 3dh9A1 ARG 185 HB3 0.05 -0.02 0.04 -0.04 1.80 1.83 3dh9A1 ARG 185 HG2 0.05 -0.08 0.04 -0.04 1.67 1.64 3dh9A1 ARG 185 HG3 0.03 -0.06 -0.05 -0.04 1.67 1.54 3dh9A1 ARG 185 HD2 -0.00 0.02 -0.02 -0.04 3.22 3.18 3dh9A1 ARG 185 HD3 -0.01 -0.05 -0.05 -0.04 3.22 3.07 3dh9A1 GLU 186 H -0.03 0.07 0.09 -0.55 8.60 8.18 3dh9A1 GLU 186 HA -1.08 0.12 0.50 -0.75 4.29 3.07 3dh9A1 GLU 186 HB2 -0.16 -0.01 0.07 -0.04 2.09 1.95 3dh9A1 GLU 186 HB3 -0.42 -0.03 -0.01 -0.04 1.99 1.48 3dh9A1 GLU 186 HG2 -0.11 -0.03 0.08 -0.04 2.34 2.24 3dh9A1 GLU 186 HG3 -0.05 -0.01 0.07 -0.04 2.34 2.31 3dh9A1 PRO 187 HA -0.50 0.05 0.31 -0.51 4.44 3.79 3dh9A1 PRO 187 HB2 -1.08 0.06 0.03 -0.04 2.28 1.25 3dh9A1 PRO 187 HB3 -0.58 -0.03 -0.03 -0.04 2.02 1.33 3dh9A1 PRO 187 HG2 -1.59 0.04 0.04 -0.04 2.03 0.49 3dh9A1 PRO 187 HG3 -1.21 0.06 0.03 -0.04 2.03 0.87 3dh9A1 PRO 187 HD2 -2.16 0.06 0.18 -0.04 3.68 1.72 3dh9A1 PRO 187 HD3 -2.89 0.18 0.21 -0.04 3.65 1.12 3dh9A1 GLY 188 H -1.20 0.06 -0.13 -0.55 8.43 6.61 3dh9A1 GLY 188 HA2 0.00 0.04 0.23 -0.51 4.01 3.78 3dh9A1 GLY 188 HA3 -0.14 0.10 0.39 -0.51 4.01 3.85 3dh9A1 LYS 189 H -0.02 0.09 0.18 -0.55 8.42 8.12 3dh9A1 LYS 189 HA 0.01 0.13 0.76 -0.75 4.32 4.47 3dh9A1 LYS 189 HB2 -0.02 0.01 0.21 -0.04 1.87 2.03 3dh9A1 LYS 189 HB3 -0.02 -0.17 0.27 -0.04 1.79 1.82 3dh9A1 LYS 189 HG2 0.12 0.01 -0.09 -0.04 1.46 1.46 3dh9A1 LYS 189 HG3 0.00 0.10 0.13 -0.04 1.46 1.65 3dh9A1 LYS 189 HD2 -0.10 -0.05 0.07 -0.04 1.69 1.57 3dh9A1 LYS 189 HD3 -0.21 0.11 0.17 -0.04 1.68 1.70 3dh9A1 LYS 189 HE2 -0.57 -0.04 -0.06 -0.04 2.99 2.27 3dh9A1 LYS 189 HE3 -0.10 0.03 -0.02 -0.04 2.99 2.85 3dh9A1 THR 190 H -0.01 0.58 0.19 -0.55 8.28 8.50 3dh9A1 THR 190 HA -0.09 0.26 1.16 -0.75 4.39 4.95 3dh9A1 THR 190 HB -0.21 0.02 -0.16 -0.04 4.32 3.93 3dh9A1 THR 190 HG23 -0.22 0.04 -0.39 -0.04 1.22 0.60 3dh9A1 LEU 191 H -0.38 0.63 0.36 -0.55 8.37 8.42 3dh9A1 LEU 191 HA -0.43 0.23 1.05 -0.75 4.35 4.44 3dh9A1 LEU 191 HB2 -1.98 0.04 -0.03 -0.04 1.64 -0.37 3dh9A1 LEU 191 HB3 -0.77 -0.02 0.20 -0.04 1.64 1.01 3dh9A1 LEU 191 HG -0.43 -0.07 -0.40 -0.04 1.64 0.70 3dh9A1 LEU 191 HD13 -0.44 0.03 -0.16 -0.04 0.93 0.32 3dh9A1 LEU 191 HD23 -0.46 -0.01 -0.14 -0.04 0.89 0.24 3dh9A1 VAL 192 H -0.29 0.79 0.33 -0.55 8.24 8.52 3dh9A1 VAL 192 HA -0.26 0.17 0.90 -0.75 4.13 4.18 3dh9A1 VAL 192 HB -0.24 0.01 0.17 -0.04 2.12 2.02 3dh9A1 VAL 192 HG13 -0.17 0.05 -0.06 -0.04 0.97 0.74 3dh9A1 VAL 192 HG23 -0.24 0.00 -0.19 -0.04 0.95 0.49 3dh9A1 VAL 193 H -0.17 0.82 0.30 -0.55 8.24 8.64 3dh9A1 VAL 193 HA -0.06 0.10 0.96 -0.75 4.13 4.37 3dh9A1 VAL 193 HB 0.40 -0.06 0.27 -0.04 2.12 2.69 3dh9A1 VAL 193 HG13 0.17 -0.01 -0.04 -0.04 0.97 1.05 3dh9A1 VAL 193 HG23 0.09 0.03 -0.11 -0.04 0.95 0.92 3dh9A1 GLY 194 H -0.05 0.50 0.17 -0.55 8.43 8.49 3dh9A1 GLY 194 HA2 -0.00 -0.09 0.42 -0.51 4.01 3.83 3dh9A1 GLY 194 HA3 -0.01 0.38 0.83 -0.51 4.01 4.70 3dh9A1 ALA 195 H 0.00 0.11 0.20 -0.55 8.40 8.16 3dh9A1 ALA 195 HA -0.01 0.24 0.79 -0.75 4.34 4.61 3dh9A1 ALA 195 HB3 0.07 0.05 0.04 -0.04 1.41 1.53 3dh9A1 GLY 196 H -0.02 0.13 0.03 -0.55 8.43 8.02 3dh9A1 GLY 196 HA2 0.06 0.13 0.74 -0.51 4.01 4.43 3dh9A1 GLY 196 HA3 -0.03 0.07 0.37 -0.51 4.01 3.92 3dh9A1 TYR 197 H 0.07 0.21 0.13 -0.55 8.29 8.15 3dh9A1 TYR 197 HA -0.03 0.12 0.23 -0.75 4.56 4.12 3dh9A1 TYR 197 HB2 0.02 -0.01 0.13 -0.04 3.06 3.16 3dh9A1 TYR 197 HB3 -0.01 0.05 0.12 -0.04 2.98 3.10 3dh9A1 TYR 197 HD2 0.19 0.02 -0.12 -0.04 7.15 7.20 3dh9A1 TYR 197 HE2 0.12 0.04 -0.00 -0.04 6.85 6.96 3dh9A1 ILE 198 H -0.55 0.02 -0.26 -0.55 8.25 6.91 3dh9A1 ILE 198 HA 0.06 0.11 0.34 -0.75 4.18 3.94 3dh9A1 ILE 198 HB -0.20 -0.04 0.05 -0.04 1.89 1.66 3dh9A1 ILE 198 HG12 -0.02 0.07 -0.00 -0.04 1.49 1.49 3dh9A1 ILE 198 HG13 -0.98 -0.11 0.02 -0.04 1.21 0.10 3dh9A1 ILE 198 HG23 -0.01 0.04 -0.13 -0.04 0.93 0.79 3dh9A1 ILE 198 HD13 -0.10 0.01 -0.02 -0.04 0.88 0.73 3dh9A1 GLY 199 H -0.09 0.03 -0.18 -0.55 8.43 7.64 3dh9A1 GLY 199 HA2 -0.11 0.04 0.37 -0.51 4.01 3.80 3dh9A1 GLY 199 HA3 -0.09 0.37 0.23 -0.51 4.01 4.01 3dh9A1 LEU 200 H -0.03 0.34 -0.24 -0.55 8.37 7.90 3dh9A1 LEU 200 HA -0.05 0.08 0.39 -0.75 4.35 4.02 3dh9A1 LEU 200 HB2 0.04 0.01 -0.00 -0.04 1.64 1.64 3dh9A1 LEU 200 HB3 0.04 0.01 -0.12 -0.04 1.64 1.52 3dh9A1 LEU 200 HG 0.09 0.04 -0.06 -0.04 1.64 1.68 3dh9A1 LEU 200 HD13 0.07 -0.01 -0.02 -0.04 0.93 0.93 3dh9A1 LEU 200 HD23 0.02 -0.02 -0.15 -0.04 0.89 0.71 3dh9A1 GLU 201 H 0.06 0.53 -0.17 -0.55 8.60 8.47 3dh9A1 GLU 201 HA 0.08 0.09 0.23 -0.75 4.29 3.93 3dh9A1 GLU 201 HB2 0.19 0.03 0.08 -0.04 2.09 2.35 3dh9A1 GLU 201 HB3 0.25 0.05 -0.06 -0.04 1.99 2.19 3dh9A1 GLU 201 HG2 0.15 -0.10 -0.34 -0.04 2.34 2.02 3dh9A1 GLU 201 HG3 0.18 0.23 0.06 -0.04 2.34 2.78 3dh9A1 CYS 202 H -0.10 0.43 -0.20 -0.55 8.50 8.08 3dh9A1 CYS 202 HA -1.35 0.02 0.42 -0.75 4.58 2.91 3dh9A1 CYS 202 HB2 -0.22 0.08 0.13 -0.04 2.97 2.92 3dh9A1 CYS 202 HB3 -0.35 -0.02 -0.08 -0.04 2.97 2.48 3dh9A1 ALA 203 H -0.23 0.63 -0.01 -0.55 8.40 8.23 3dh9A1 ALA 203 HA -0.21 0.00 0.38 -0.75 4.34 3.76 3dh9A1 ALA 203 HB3 -0.19 0.02 0.03 -0.04 1.41 1.23 3dh9A1 GLY 204 H -0.10 0.66 -0.23 -0.55 8.43 8.22 3dh9A1 GLY 204 HA2 0.03 0.00 0.26 -0.51 4.01 3.79 3dh9A1 GLY 204 HA3 0.06 0.02 0.33 -0.51 4.01 3.91 3dh9A1 PHE 205 H -0.12 0.53 -0.05 -0.55 8.34 8.15 3dh9A1 PHE 205 HA 0.14 0.05 0.56 -0.75 4.62 4.61 3dh9A1 PHE 205 HB2 0.18 0.07 -0.07 -0.04 3.15 3.28 3dh9A1 PHE 205 HB3 0.21 -0.02 0.00 -0.04 3.06 3.22 3dh9A1 PHE 205 HD2 0.22 0.02 -0.30 -0.04 7.28 7.17 3dh9A1 PHE 205 HE2 0.31 -0.06 -0.12 -0.04 7.38 7.46 3dh9A1 PHE 205 HZ 0.12 -0.07 -0.10 -0.04 7.32 7.23 3dh9A1 LEU 206 H -0.29 0.64 -0.13 -0.55 8.37 8.05 3dh9A1 LEU 206 HA 0.31 -0.01 0.56 -0.75 4.35 4.46 3dh9A1 LEU 206 HB2 -0.10 0.09 0.11 -0.04 1.64 1.69 3dh9A1 LEU 206 HB3 0.02 -0.08 -0.06 -0.04 1.64 1.48 3dh9A1 LEU 206 HG -0.31 0.14 0.01 -0.04 1.64 1.43 3dh9A1 LEU 206 HD13 -0.23 -0.05 -0.22 -0.04 0.93 0.39 3dh9A1 LEU 206 HD23 -0.01 -0.02 -0.05 -0.04 0.89 0.76 3dh9A1 LYS 207 H 0.03 0.56 -0.12 -0.55 8.42 8.33 3dh9A1 LYS 207 HA 0.03 0.29 0.25 -0.75 4.32 4.14 3dh9A1 LYS 207 HB2 0.02 -0.03 0.08 -0.04 1.87 1.90 3dh9A1 LYS 207 HB3 0.04 0.00 -0.00 -0.04 1.79 1.79 3dh9A1 LYS 207 HG2 0.01 0.11 0.14 -0.04 1.46 1.68 3dh9A1 LYS 207 HG3 0.01 -0.04 -0.07 -0.04 1.46 1.32 3dh9A1 LYS 207 HD2 0.02 0.32 -0.04 -0.04 1.69 1.95 3dh9A1 LYS 207 HD3 0.02 -0.11 0.01 -0.04 1.68 1.56 3dh9A1 LYS 207 HE2 0.00 -0.05 0.08 -0.04 2.99 2.98 3dh9A1 LYS 207 HE3 -0.00 -0.05 0.07 -0.04 2.99 2.97 3dh9A1 GLY 208 H 0.13 0.33 -0.20 -0.55 8.43 8.14 3dh9A1 GLY 208 HA2 0.08 0.05 0.30 -0.51 4.01 3.93 3dh9A1 GLY 208 HA3 0.13 -0.04 0.36 -0.51 4.01 3.95 3dh9A1 LEU 209 H 0.16 0.35 -0.48 -0.55 8.37 7.85 3dh9A1 LEU 209 HA 0.06 0.10 0.76 -0.75 4.35 4.52 3dh9A1 LEU 209 HB2 0.37 0.07 0.11 -0.04 1.64 2.15 3dh9A1 LEU 209 HB3 0.26 -0.12 0.17 -0.04 1.64 1.92 3dh9A1 LEU 209 HG 0.25 0.06 -0.05 -0.04 1.64 1.85 3dh9A1 LEU 209 HD13 0.43 -0.03 -0.05 -0.04 0.93 1.24 3dh9A1 LEU 209 HD23 0.11 -0.03 -0.10 -0.04 0.89 0.84 3dh9A1 GLY 210 H -0.03 0.51 -0.22 -0.55 8.43 8.13 3dh9A1 GLY 210 HA2 -0.11 0.06 0.33 -0.51 4.01 3.78 3dh9A1 GLY 210 HA3 -0.27 0.01 0.42 -0.51 4.01 3.66 3dh9A1 TYR 211 H -0.09 0.45 -0.04 -0.55 8.29 8.06 3dh9A1 TYR 211 HA -0.05 0.09 0.76 -0.75 4.56 4.61 3dh9A1 TYR 211 HB2 -0.08 0.02 -0.04 -0.04 3.06 2.92 3dh9A1 TYR 211 HB3 -0.12 0.13 0.05 -0.04 2.98 3.00 3dh9A1 TYR 211 HD2 -0.08 0.02 -0.02 -0.04 7.15 7.03 3dh9A1 TYR 211 HE2 -0.05 -0.03 0.01 -0.04 6.85 6.74 3dh9A1 GLU 212 H 0.10 0.19 -0.05 -0.55 8.60 8.30 3dh9A1 GLU 212 HA 0.01 0.34 0.88 -0.75 4.29 4.77 3dh9A1 GLU 212 HB2 0.02 -0.18 0.22 -0.04 2.09 2.11 3dh9A1 GLU 212 HB3 0.01 0.05 0.10 -0.04 1.99 2.10 3dh9A1 GLU 212 HG2 0.02 -0.03 -0.19 -0.04 2.34 2.09 3dh9A1 GLU 212 HG3 -0.00 -0.06 -0.01 -0.04 2.34 2.22 3dh9A1 PRO 213 HA -0.08 0.34 0.91 -0.51 4.44 5.09 3dh9A1 PRO 213 HB2 -0.16 -0.06 -0.05 -0.04 2.28 1.97 3dh9A1 PRO 213 HB3 -0.13 -0.05 0.04 -0.04 2.02 1.85 3dh9A1 PRO 213 HG2 -0.07 0.03 0.02 -0.04 2.03 1.96 3dh9A1 PRO 213 HG3 -0.06 0.17 0.06 -0.04 2.03 2.15 3dh9A1 PRO 213 HD2 -0.00 0.27 0.14 -0.04 3.68 4.05 3dh9A1 PRO 213 HD3 0.01 0.02 -0.41 -0.04 3.65 3.23 3dh9A1 THR 214 H -0.14 0.49 0.42 -0.55 8.28 8.51 3dh9A1 THR 214 HA -0.14 0.30 0.63 -0.75 4.39 4.43 3dh9A1 THR 214 HB -0.05 -0.09 0.04 -0.04 4.32 4.18 3dh9A1 THR 214 HG23 -0.09 -0.03 -0.35 -0.04 1.22 0.72 3dh9A1 VAL 215 H -0.45 0.67 0.24 -0.55 8.24 8.14 3dh9A1 VAL 215 HA -0.32 0.23 0.90 -0.75 4.13 4.19 3dh9A1 VAL 215 HB -1.51 0.01 0.08 -0.04 2.12 0.66 3dh9A1 VAL 215 HG13 -0.26 -0.02 -0.28 -0.04 0.97 0.37 3dh9A1 VAL 215 HG23 -0.46 0.01 -0.12 -0.04 0.95 0.34 3dh9A1 MET 216 H -0.19 0.85 0.40 -0.55 8.47 8.98 3dh9A1 MET 216 HA -0.12 0.17 0.99 -0.75 4.52 4.81 3dh9A1 MET 216 HB2 -0.20 0.03 -0.09 -0.04 2.15 1.84 3dh9A1 MET 216 HB3 -0.09 -0.13 0.15 -0.04 2.03 1.91 3dh9A1 MET 216 HG2 -0.04 0.12 -0.44 -0.04 2.63 2.23 3dh9A1 MET 216 HG3 -0.14 0.04 -0.21 -0.04 2.56 2.21 3dh9A1 MET 216 HE3 -0.27 0.01 -0.25 -0.04 2.10 1.54 3dh9A1 VAL 217 H -0.00 0.84 0.21 -0.55 8.24 8.73 3dh9A1 VAL 217 HA 0.02 0.02 0.84 -0.75 4.13 4.26 3dh9A1 VAL 217 HB 0.07 -0.06 0.06 -0.04 2.12 2.14 3dh9A1 VAL 217 HG13 0.06 -0.08 -0.41 -0.04 0.97 0.50 3dh9A1 VAL 217 HG23 0.19 0.02 -0.26 -0.04 0.95 0.86 3dh9A1 ARG 218 H 0.02 0.07 0.14 -0.55 8.46 8.14 3dh9A1 ARG 218 HA 0.03 0.24 0.49 -0.75 4.34 4.35 3dh9A1 ARG 218 HB2 0.02 0.06 0.13 -0.04 1.90 2.07 3dh9A1 ARG 218 HB3 0.02 -0.15 0.15 -0.04 1.80 1.78 3dh9A1 ARG 218 HG2 0.02 -0.03 -0.29 -0.04 1.67 1.33 3dh9A1 ARG 218 HG3 0.02 0.05 -0.06 -0.04 1.67 1.64 3dh9A1 ARG 218 HD2 0.01 0.03 0.01 -0.04 3.22 3.23 3dh9A1 ARG 218 HD3 0.01 -0.06 0.00 -0.04 3.22 3.13 3dh9A1 SER 219 H 0.03 0.01 -0.12 -0.55 8.46 7.83 3dh9A1 SER 219 HA 0.03 0.20 0.72 -0.75 4.49 4.69 3dh9A1 SER 219 HB2 0.02 0.03 0.06 -0.04 3.95 4.02 3dh9A1 SER 219 HB3 0.02 0.13 -0.03 -0.04 3.93 4.01 3dh9A1 ILE 220 H 0.03 0.08 0.11 -0.55 8.25 7.92 3dh9A1 ILE 220 HA 0.03 0.31 0.94 -0.75 4.18 4.70 3dh9A1 ILE 220 HB 0.03 0.06 0.07 -0.04 1.89 2.02 3dh9A1 ILE 220 HG12 0.04 -0.06 0.02 -0.04 1.49 1.45 3dh9A1 ILE 220 HG13 0.06 -0.05 -0.33 -0.04 1.21 0.85 3dh9A1 ILE 220 HG23 0.02 0.02 -0.11 -0.04 0.93 0.82 3dh9A1 ILE 220 HD13 0.05 0.01 -0.02 -0.04 0.88 0.88 3dh9A1 VAL 221 H 0.03 0.20 0.10 -0.55 8.24 8.02 3dh9A1 VAL 221 HA 0.06 0.10 0.76 -0.75 4.13 4.29 3dh9A1 VAL 221 HB -0.00 -0.03 0.02 -0.04 2.12 2.07 3dh9A1 VAL 221 HG13 0.02 0.02 -0.03 -0.04 0.97 0.95 3dh9A1 VAL 221 HG23 0.04 0.01 -0.05 -0.04 0.95 0.91 3dh9A1 LEU 222 H 0.05 0.82 0.25 -0.55 8.37 8.94 3dh9A1 LEU 222 HA 0.11 -0.06 0.42 -0.75 4.35 4.06 3dh9A1 LEU 222 HB2 0.00 0.06 -0.23 -0.04 1.64 1.43 3dh9A1 LEU 222 HB3 -0.15 -0.05 0.12 -0.04 1.64 1.52 3dh9A1 LEU 222 HG -0.06 0.11 -0.03 -0.04 1.64 1.62 3dh9A1 LEU 222 HD13 -0.20 -0.00 -0.07 -0.04 0.93 0.61 3dh9A1 LEU 222 HD23 -0.34 -0.04 -0.07 -0.04 0.89 0.39 3dh9A1 ARG 223 H 0.12 0.03 -0.27 -0.55 8.46 7.79 3dh9A1 ARG 223 HA 0.12 0.07 0.42 -0.75 4.34 4.20 3dh9A1 ARG 223 HB2 0.07 -0.00 0.02 -0.04 1.90 1.95 3dh9A1 ARG 223 HB3 0.09 -0.04 0.03 -0.04 1.80 1.84 3dh9A1 ARG 223 HG2 0.06 0.04 -0.20 -0.04 1.67 1.53 3dh9A1 ARG 223 HG3 0.06 -0.02 0.02 -0.04 1.67 1.69 3dh9A1 ARG 223 HD2 0.04 -0.00 -0.03 -0.04 3.22 3.19 3dh9A1 ARG 223 HD3 0.03 0.05 -0.03 -0.04 3.22 3.24 3dh9A1 GLY 224 H 0.10 0.14 0.13 -0.55 8.43 8.26 3dh9A1 GLY 224 HA2 0.02 0.01 0.33 -0.51 4.01 3.85 3dh9A1 GLY 224 HA3 -0.00 0.12 0.58 -0.51 4.01 4.20 3dh9A1 PHE 225 H 0.40 0.55 -0.29 -0.55 8.34 8.45 3dh9A1 PHE 225 HA 0.15 0.18 0.90 -0.75 4.62 5.10 3dh9A1 PHE 225 HB2 0.17 0.21 0.03 -0.04 3.15 3.52 3dh9A1 PHE 225 HB3 0.32 -0.07 0.02 -0.04 3.06 3.29 3dh9A1 PHE 225 HD2 0.17 0.10 -0.17 -0.04 7.28 7.33 3dh9A1 PHE 225 HE2 0.05 -0.04 -0.08 -0.04 7.38 7.27 3dh9A1 PHE 225 HZ 0.07 -0.05 -0.07 -0.04 7.32 7.23 3dh9A1 ASP 226 H 0.36 0.19 0.12 -0.55 8.40 8.52 3dh9A1 ASP 226 HA 0.09 -0.08 0.56 -0.75 4.63 4.45 3dh9A1 ASP 226 HB2 0.08 0.03 0.22 -0.04 2.71 3.01 3dh9A1 ASP 226 HB3 0.18 0.10 0.16 -0.04 2.70 3.10 3dh9A1 GLN 227 H 0.05 0.09 0.25 -0.55 8.47 8.31 3dh9A1 GLN 227 HA 0.04 0.17 0.33 -0.75 4.36 4.14 3dh9A1 GLN 227 HB2 0.02 -0.04 0.14 -0.04 2.15 2.23 3dh9A1 GLN 227 HB3 0.01 0.06 0.05 -0.04 2.02 2.10 3dh9A1 GLN 227 HG2 0.07 0.07 0.12 -0.04 2.40 2.62 3dh9A1 GLN 227 HG3 0.04 0.01 0.04 -0.04 2.39 2.44 3dh9A1 GLN 227 HE21 0.10 0.38 -0.17 -0.04 6.97 7.24 3dh9A1 GLN 227 HE22 0.14 0.35 -0.00 -0.04 7.69 8.14 3dh9A1 GLN 228 H -0.01 0.03 -0.06 -0.55 8.47 7.88 3dh9A1 GLN 228 HA -0.04 0.16 0.51 -0.75 4.36 4.23 3dh9A1 GLN 228 HB2 -0.02 0.03 0.06 -0.04 2.15 2.18 3dh9A1 GLN 228 HB3 -0.01 -0.10 0.00 -0.04 2.02 1.87 3dh9A1 GLN 228 HG2 -0.07 0.02 -0.33 -0.04 2.40 1.99 3dh9A1 GLN 228 HG3 -0.07 0.06 -0.02 -0.04 2.39 2.32 3dh9A1 GLN 228 HE21 0.17 0.05 -0.09 -0.04 6.97 7.06 3dh9A1 GLN 228 HE22 -0.21 0.04 -0.08 -0.04 7.69 7.40 3dh9A1 MET 229 H -0.05 0.02 -0.39 -0.55 8.47 7.51 3dh9A1 MET 229 HA -0.15 0.14 0.27 -0.75 4.52 4.03 3dh9A1 MET 229 HB2 -0.13 0.08 0.08 -0.04 2.15 2.13 3dh9A1 MET 229 HB3 -0.91 0.05 -0.04 -0.04 2.03 1.09 3dh9A1 MET 229 HG2 -0.07 -0.16 -0.05 -0.04 2.63 2.32 3dh9A1 MET 229 HG3 0.19 0.02 -0.06 -0.04 2.56 2.68 3dh9A1 MET 229 HE3 0.14 0.04 -0.24 -0.04 2.10 2.00 3dh9A1 ALA 230 H -0.07 0.59 -0.05 -0.55 8.40 8.32 3dh9A1 ALA 230 HA -0.12 -0.01 0.29 -0.75 4.34 3.74 3dh9A1 ALA 230 HB3 0.00 0.04 -0.06 -0.04 1.41 1.36 3dh9A1 GLU 231 H -0.08 0.42 -0.36 -0.55 8.60 8.03 3dh9A1 GLU 231 HA -0.12 -0.00 0.38 -0.75 4.29 3.80 3dh9A1 GLU 231 HB2 -0.07 0.11 0.09 -0.04 2.09 2.18 3dh9A1 GLU 231 HB3 -0.08 -0.00 -0.01 -0.04 1.99 1.85 3dh9A1 GLU 231 HG2 -0.04 0.22 0.10 -0.04 2.34 2.58 3dh9A1 GLU 231 HG3 -0.04 -0.02 0.01 -0.04 2.34 2.24 3dh9A1 LEU 232 H -0.10 0.43 -0.16 -0.55 8.37 7.99 3dh9A1 LEU 232 HA -0.04 0.05 0.57 -0.75 4.35 4.18 3dh9A1 LEU 232 HB2 -0.09 0.11 0.16 -0.04 1.64 1.77 3dh9A1 LEU 232 HB3 0.06 0.02 0.04 -0.04 1.64 1.72 3dh9A1 LEU 232 HG -0.10 0.11 0.05 -0.04 1.64 1.66 3dh9A1 LEU 232 HD13 -0.29 -0.04 -0.13 -0.04 0.93 0.43 3dh9A1 LEU 232 HD23 0.05 0.00 -0.00 -0.04 0.89 0.90 3dh9A1 VAL 233 H -0.16 0.43 -0.23 -0.55 8.24 7.72 3dh9A1 VAL 233 HA -0.12 0.08 0.40 -0.75 4.13 3.74 3dh9A1 VAL 233 HB -0.11 0.11 0.13 -0.04 2.12 2.22 3dh9A1 VAL 233 HG13 0.00 -0.01 -0.14 -0.04 0.97 0.78 3dh9A1 VAL 233 HG23 -0.13 0.05 -0.07 -0.04 0.95 0.76 3dh9A1 ALA 234 H -0.17 0.54 -0.00 -0.55 8.40 8.22 3dh9A1 ALA 234 HA -0.23 0.01 0.45 -0.75 4.34 3.81 3dh9A1 ALA 234 HB3 -0.47 0.01 0.11 -0.04 1.41 1.02 3dh9A1 ALA 235 H -0.32 0.60 -0.20 -0.55 8.40 7.93 3dh9A1 ALA 235 HA -0.30 0.02 0.35 -0.75 4.34 3.65 3dh9A1 ALA 235 HB3 -0.23 0.02 0.09 -0.04 1.41 1.25 3dh9A1 SER 236 H -0.69 0.53 -0.21 -0.55 8.46 7.54 3dh9A1 SER 236 HA -0.60 -0.00 0.48 -0.75 4.49 3.61 3dh9A1 SER 236 HB2 -0.13 -0.09 0.08 -0.04 3.95 3.77 3dh9A1 SER 236 HB3 -0.58 0.15 0.13 -0.04 3.93 3.59 3dh9A1 MET 237 H -0.16 0.32 -0.39 -0.55 8.47 7.69 3dh9A1 MET 237 HA 0.03 0.07 0.60 -0.75 4.52 4.47 3dh9A1 MET 237 HB2 0.22 0.06 0.19 -0.04 2.15 2.57 3dh9A1 MET 237 HB3 0.23 -0.00 0.01 -0.04 2.03 2.23 3dh9A1 MET 237 HG2 0.07 -0.03 -0.01 -0.04 2.63 2.61 3dh9A1 MET 237 HG3 0.03 0.21 -0.02 -0.04 2.56 2.74 3dh9A1 MET 237 HE3 0.13 -0.00 -0.25 -0.04 2.10 1.93 3dh9A1 GLU 238 H -0.06 0.50 0.10 -0.55 8.60 8.59 3dh9A1 GLU 238 HA 0.09 0.14 0.51 -0.75 4.29 4.28 3dh9A1 GLU 238 HB2 -0.12 0.08 0.18 -0.04 2.09 2.19 3dh9A1 GLU 238 HB3 -0.01 -0.06 0.02 -0.04 1.99 1.90 3dh9A1 GLU 238 HG2 0.16 0.05 0.11 -0.04 2.34 2.62 3dh9A1 GLU 238 HG3 -0.29 0.08 0.11 -0.04 2.34 2.20 3dh9A1 GLU 239 H -0.08 0.63 -0.19 -0.55 8.60 8.42 3dh9A1 GLU 239 HA 0.04 -0.01 0.38 -0.75 4.29 3.94 3dh9A1 GLU 239 HB2 0.08 0.04 0.10 -0.04 2.09 2.28 3dh9A1 GLU 239 HB3 0.05 0.11 0.04 -0.04 1.99 2.16 3dh9A1 GLU 239 HG2 0.07 0.04 0.04 -0.04 2.34 2.45 3dh9A1 GLU 239 HG3 0.14 -0.04 0.04 -0.04 2.34 2.44 3dh9A1 ARG 240 H 0.01 0.29 -0.42 -0.55 8.46 7.79 3dh9A1 ARG 240 HA 0.02 0.07 0.56 -0.75 4.34 4.24 3dh9A1 ARG 240 HB2 0.04 0.09 0.22 -0.04 1.90 2.20 3dh9A1 ARG 240 HB3 0.04 -0.03 0.16 -0.04 1.80 1.93 3dh9A1 ARG 240 HG2 0.03 -0.00 0.03 -0.04 1.67 1.69 3dh9A1 ARG 240 HG3 0.04 -0.04 -0.03 -0.04 1.67 1.60 3dh9A1 ARG 240 HD2 0.05 0.03 0.02 -0.04 3.22 3.28 3dh9A1 ARG 240 HD3 0.06 -0.02 0.01 -0.04 3.22 3.24 3dh9A1 GLY 241 H 0.03 0.47 -0.65 -0.55 8.43 7.73 3dh9A1 GLY 241 HA2 0.02 -0.02 0.28 -0.51 4.01 3.78 3dh9A1 GLY 241 HA3 0.01 0.06 0.54 -0.51 4.01 4.11 3dh9A1 ILE 242 H 0.06 0.40 -0.15 -0.55 8.25 8.02 3dh9A1 ILE 242 HA 0.00 0.31 0.83 -0.75 4.18 4.57 3dh9A1 ILE 242 HB 0.12 -0.13 -0.18 -0.04 1.89 1.66 3dh9A1 ILE 242 HG12 -0.01 0.06 -0.09 -0.04 1.49 1.41 3dh9A1 ILE 242 HG13 0.03 0.12 -0.27 -0.04 1.21 1.05 3dh9A1 ILE 242 HG23 -0.18 -0.01 -0.25 -0.04 0.93 0.46 3dh9A1 ILE 242 HD13 0.02 -0.05 -0.12 -0.04 0.88 0.69 3dh9A1 PRO 243 HA 0.16 0.06 0.61 -0.51 4.44 4.75 3dh9A1 PRO 243 HB2 0.04 -0.02 -0.06 -0.04 2.28 2.19 3dh9A1 PRO 243 HB3 0.05 0.02 0.06 -0.04 2.02 2.11 3dh9A1 PRO 243 HG2 0.00 -0.04 0.05 -0.04 2.03 2.00 3dh9A1 PRO 243 HG3 0.02 0.04 0.03 -0.04 2.03 2.08 3dh9A1 PRO 243 HD2 -0.02 0.43 0.34 -0.04 3.68 4.39 3dh9A1 PRO 243 HD3 0.01 0.32 0.08 -0.04 3.65 4.03 3dh9A1 PHE 244 H 0.26 0.19 0.20 -0.55 8.34 8.44 3dh9A1 PHE 244 HA -0.05 0.27 0.99 -0.75 4.62 5.08 3dh9A1 PHE 244 HB2 -0.03 -0.01 0.09 -0.04 3.15 3.16 3dh9A1 PHE 244 HB3 -0.03 -0.07 -0.12 -0.04 3.06 2.79 3dh9A1 PHE 244 HD2 -0.04 0.02 -0.22 -0.04 7.28 7.00 3dh9A1 PHE 244 HE2 -0.05 -0.03 -0.07 -0.04 7.38 7.19 3dh9A1 PHE 244 HZ -0.06 -0.04 -0.02 -0.04 7.32 7.16 3dh9A1 LEU 245 H -0.03 0.78 0.24 -0.55 8.37 8.82 3dh9A1 LEU 245 HA 0.03 0.18 0.85 -0.75 4.35 4.65 3dh9A1 LEU 245 HB2 -0.16 -0.09 0.11 -0.04 1.64 1.47 3dh9A1 LEU 245 HB3 -0.13 0.01 -0.06 -0.04 1.64 1.42 3dh9A1 LEU 245 HG -0.10 -0.01 -0.35 -0.04 1.64 1.15 3dh9A1 LEU 245 HD13 -0.48 -0.01 -0.22 -0.04 0.93 0.18 3dh9A1 LEU 245 HD23 0.01 0.03 -0.13 -0.04 0.89 0.76 3dh9A1 ARG 246 H 0.06 0.22 -0.03 -0.55 8.46 8.17 3dh9A1 ARG 246 HA 0.07 0.04 0.55 -0.75 4.34 4.24 3dh9A1 ARG 246 HB2 0.04 0.03 0.05 -0.04 1.90 1.98 3dh9A1 ARG 246 HB3 0.03 0.03 -0.03 -0.04 1.80 1.79 3dh9A1 ARG 246 HG2 0.04 -0.01 -0.02 -0.04 1.67 1.64 3dh9A1 ARG 246 HG3 0.09 -0.04 -0.13 -0.04 1.67 1.55 3dh9A1 ARG 246 HD2 0.00 0.03 -0.02 -0.04 3.22 3.20 3dh9A1 ARG 246 HD3 -0.02 -0.01 -0.02 -0.04 3.22 3.13 3dh9A1 LYS 247 H 0.04 0.15 0.13 -0.55 8.42 8.18 3dh9A1 LYS 247 HA 0.03 0.28 0.35 -0.75 4.32 4.23 3dh9A1 LYS 247 HB2 0.04 0.03 0.12 -0.04 1.87 2.01 3dh9A1 LYS 247 HB3 0.03 -0.13 0.27 -0.04 1.79 1.92 3dh9A1 LYS 247 HG2 0.03 -0.05 -0.06 -0.04 1.46 1.33 3dh9A1 LYS 247 HG3 0.02 -0.03 0.01 -0.04 1.46 1.43 3dh9A1 LYS 247 HD2 0.02 -0.02 0.08 -0.04 1.69 1.73 3dh9A1 LYS 247 HD3 0.03 0.12 0.13 -0.04 1.68 1.91 3dh9A1 LYS 247 HE2 0.02 0.03 0.02 -0.04 2.99 3.01 3dh9A1 LYS 247 HE3 0.02 -0.02 0.00 -0.04 2.99 2.94 3dh9A1 THR 248 H 0.03 0.61 0.05 -0.55 8.28 8.43 3dh9A1 THR 248 HA 0.08 0.26 0.88 -0.75 4.39 4.86 3dh9A1 THR 248 HB -0.01 0.07 -0.32 -0.04 4.32 4.02 3dh9A1 THR 248 HG23 0.04 -0.03 -0.36 -0.04 1.22 0.82 3dh9A1 VAL 249 H 0.10 0.56 0.25 -0.55 8.24 8.61 3dh9A1 VAL 249 HA 0.05 0.07 0.67 -0.75 4.13 4.17 3dh9A1 VAL 249 HB 0.05 0.06 -0.03 -0.04 2.12 2.16 3dh9A1 VAL 249 HG13 0.04 0.02 -0.12 -0.04 0.97 0.86 3dh9A1 VAL 249 HG23 0.03 -0.01 -0.12 -0.04 0.95 0.80 3dh9A1 PRO 250 HA 0.19 0.10 0.75 -0.51 4.44 4.97 3dh9A1 PRO 250 HB2 0.21 0.05 -0.16 -0.04 2.28 2.34 3dh9A1 PRO 250 HB3 0.31 0.02 0.01 -0.04 2.02 2.33 3dh9A1 PRO 250 HG2 -0.02 0.04 0.05 -0.04 2.03 2.06 3dh9A1 PRO 250 HG3 0.12 0.00 0.02 -0.04 2.03 2.14 3dh9A1 PRO 250 HD2 0.04 0.07 0.21 -0.04 3.68 3.95 3dh9A1 PRO 250 HD3 0.09 0.10 0.08 -0.04 3.65 3.88 3dh9A1 LEU 251 H 0.16 0.53 0.36 -0.55 8.37 8.88 3dh9A1 LEU 251 HA 0.05 0.13 0.71 -0.75 4.35 4.49 3dh9A1 LEU 251 HB2 0.09 0.08 -0.26 -0.04 1.64 1.51 3dh9A1 LEU 251 HB3 0.06 -0.02 -0.09 -0.04 1.64 1.55 3dh9A1 LEU 251 HG 0.03 -0.01 -0.07 -0.04 1.64 1.55 3dh9A1 LEU 251 HD13 0.05 0.01 -0.17 -0.04 0.93 0.77 3dh9A1 LEU 251 HD23 0.03 -0.03 -0.28 -0.04 0.89 0.56 3dh9A1 SER 252 H 0.14 0.36 0.30 -0.55 8.46 8.72 3dh9A1 SER 252 HA 0.12 0.12 0.49 -0.75 4.49 4.47 3dh9A1 SER 252 HB2 0.10 0.05 0.13 -0.04 3.95 4.19 3dh9A1 SER 252 HB3 0.07 0.10 -0.16 -0.04 3.93 3.89 3dh9A1 VAL 253 H 0.21 0.77 0.33 -0.55 8.24 9.01 3dh9A1 VAL 253 HA 0.14 0.34 0.74 -0.75 4.13 4.59 3dh9A1 VAL 253 HB 0.17 0.03 0.03 -0.04 2.12 2.31 3dh9A1 VAL 253 HG13 0.46 -0.03 -0.33 -0.04 0.97 1.02 3dh9A1 VAL 253 HG23 0.17 0.00 -0.21 -0.04 0.95 0.87 3dh9A1 GLU 254 H 0.02 0.61 0.29 -0.55 8.60 8.98 3dh9A1 GLU 254 HA -0.02 0.12 0.83 -0.75 4.29 4.47 3dh9A1 GLU 254 HB2 -0.02 -0.03 -0.02 -0.04 2.09 1.98 3dh9A1 GLU 254 HB3 -0.00 0.03 0.04 -0.04 1.99 2.02 3dh9A1 GLU 254 HG2 0.06 -0.04 -0.36 -0.04 2.34 1.96 3dh9A1 GLU 254 HG3 0.04 -0.01 -0.12 -0.04 2.34 2.21 3dh9A1 LYS 255 H -0.51 0.12 0.12 -0.55 8.42 7.60 3dh9A1 LYS 255 HA -0.29 0.26 0.98 -0.75 4.32 4.52 3dh9A1 LYS 255 HB2 -0.92 -0.05 0.06 -0.04 1.87 0.92 3dh9A1 LYS 255 HB3 -0.21 -0.03 0.05 -0.04 1.79 1.55 3dh9A1 LYS 255 HG2 -0.15 0.06 -0.07 -0.04 1.46 1.26 3dh9A1 LYS 255 HG3 -0.23 0.04 -0.05 -0.04 1.46 1.19 3dh9A1 LYS 255 HD2 -0.04 -0.07 -0.03 -0.04 1.69 1.51 3dh9A1 LYS 255 HD3 -0.04 -0.02 0.01 -0.04 1.68 1.58 3dh9A1 LYS 255 HE2 0.07 -0.03 0.00 -0.04 2.99 2.99 3dh9A1 LYS 255 HE3 0.04 -0.05 0.01 -0.04 2.99 2.95 3dh9A1 GLN 256 H -0.10 0.86 0.23 -0.55 8.47 8.91 3dh9A1 GLN 256 HA -0.05 0.11 0.54 -0.75 4.36 4.21 3dh9A1 GLN 256 HB2 -0.05 0.01 0.05 -0.04 2.15 2.12 3dh9A1 GLN 256 HB3 -0.03 -0.13 0.09 -0.04 2.02 1.91 3dh9A1 GLN 256 HG2 -0.03 0.01 -0.07 -0.04 2.40 2.27 3dh9A1 GLN 256 HG3 -0.05 0.07 -0.13 -0.04 2.39 2.25 3dh9A1 GLN 256 HE21 -0.03 0.01 -0.08 -0.04 6.97 6.84 3dh9A1 GLN 256 HE22 -0.02 0.01 -0.07 -0.04 7.69 7.57 3dh9A1 ASP 257 H -0.02 0.14 0.15 -0.55 8.40 8.12 3dh9A1 ASP 257 HA -0.02 0.14 0.45 -0.75 4.63 4.46 3dh9A1 ASP 257 HB2 -0.01 -0.04 0.13 -0.04 2.71 2.75 3dh9A1 ASP 257 HB3 -0.01 0.05 0.04 -0.04 2.70 2.74 3dh9A1 ASP 258 H -0.02 0.02 -0.24 -0.55 8.40 7.61 3dh9A1 ASP 258 HA -0.01 0.21 0.61 -0.75 4.63 4.69 3dh9A1 ASP 258 HB2 -0.02 0.06 0.15 -0.04 2.71 2.87 3dh9A1 ASP 258 HB3 -0.02 0.01 0.05 -0.04 2.70 2.70 3dh9A1 GLY 259 H -0.03 0.51 -0.55 -0.55 8.43 7.81 3dh9A1 GLY 259 HA2 -0.04 0.06 0.26 -0.51 4.01 3.79 3dh9A1 GLY 259 HA3 -0.02 0.09 0.39 -0.51 4.01 3.97 3dh9A1 LYS 260 H -0.04 -0.11 -0.60 -0.55 8.42 7.12 3dh9A1 LYS 260 HA -0.04 0.22 0.62 -0.75 4.32 4.37 3dh9A1 LYS 260 HB2 -0.04 -0.15 -0.05 -0.04 1.87 1.59 3dh9A1 LYS 260 HB3 -0.04 0.05 -0.03 -0.04 1.79 1.73 3dh9A1 LYS 260 HG2 -0.03 -0.00 -0.11 -0.04 1.46 1.27 3dh9A1 LYS 260 HG3 -0.04 -0.02 -0.07 -0.04 1.46 1.29 3dh9A1 LYS 260 HD2 -0.04 0.06 -0.11 -0.04 1.69 1.56 3dh9A1 LYS 260 HD3 -0.03 0.07 -0.12 -0.04 1.68 1.56 3dh9A1 LYS 260 HE2 -0.03 0.02 -0.03 -0.04 2.99 2.91 3dh9A1 LYS 260 HE3 -0.04 -0.04 -0.05 -0.04 2.99 2.82 3dh9A1 LEU 261 H -0.02 0.73 0.33 -0.55 8.37 8.87 3dh9A1 LEU 261 HA -0.09 0.20 0.84 -0.75 4.35 4.55 3dh9A1 LEU 261 HB2 0.02 0.02 -0.01 -0.04 1.64 1.64 3dh9A1 LEU 261 HB3 -0.00 -0.06 -0.11 -0.04 1.64 1.43 3dh9A1 LEU 261 HG -0.04 0.13 -0.05 -0.04 1.64 1.64 3dh9A1 LEU 261 HD13 -0.02 -0.03 -0.15 -0.04 0.93 0.69 3dh9A1 LEU 261 HD23 -0.14 -0.02 -0.14 -0.04 0.89 0.55 3dh9A1 LEU 262 H -0.04 0.64 0.29 -0.55 8.37 8.71 3dh9A1 LEU 262 HA 0.04 0.22 0.86 -0.75 4.35 4.71 3dh9A1 LEU 262 HB2 -0.01 -0.04 -0.05 -0.04 1.64 1.50 3dh9A1 LEU 262 HB3 -0.00 -0.03 0.10 -0.04 1.64 1.66 3dh9A1 LEU 262 HG 0.03 0.00 -0.35 -0.04 1.64 1.28 3dh9A1 LEU 262 HD13 -0.01 0.02 -0.16 -0.04 0.93 0.75 3dh9A1 LEU 262 HD23 -0.00 -0.01 -0.12 -0.04 0.89 0.72 3dh9A1 VAL 263 H 0.17 0.63 0.32 -0.55 8.24 8.81 3dh9A1 VAL 263 HA 0.16 0.33 1.05 -0.75 4.13 4.92 3dh9A1 VAL 263 HB 0.37 -0.07 0.07 -0.04 2.12 2.45 3dh9A1 VAL 263 HG13 0.18 0.01 -0.10 -0.04 0.97 1.02 3dh9A1 VAL 263 HG23 0.11 0.02 -0.17 -0.04 0.95 0.87 3dh9A1 LYS 264 H 0.12 0.34 0.24 -0.55 8.42 8.56 3dh9A1 LYS 264 HA -0.03 0.28 1.15 -0.75 4.32 4.96 3dh9A1 LYS 264 HB2 -0.02 0.09 0.14 -0.04 1.87 2.03 3dh9A1 LYS 264 HB3 0.01 -0.03 0.05 -0.04 1.79 1.77 3dh9A1 LYS 264 HG2 0.07 -0.00 0.05 -0.04 1.46 1.54 3dh9A1 LYS 264 HG3 0.05 -0.09 -0.04 -0.04 1.46 1.34 3dh9A1 LYS 264 HD2 0.01 0.03 -0.05 -0.04 1.69 1.64 3dh9A1 LYS 264 HD3 0.03 -0.01 -0.07 -0.04 1.68 1.59 3dh9A1 LYS 264 HE2 0.03 -0.02 -0.12 -0.04 2.99 2.84 3dh9A1 LYS 264 HE3 0.02 0.01 -0.06 -0.04 2.99 2.92 3dh9A1 TYR 265 H -0.28 0.81 0.37 -0.55 8.29 8.65 3dh9A1 TYR 265 HA 0.06 0.05 0.78 -0.75 4.56 4.68 3dh9A1 TYR 265 HB2 0.05 0.02 -0.06 -0.04 3.06 3.03 3dh9A1 TYR 265 HB3 0.07 -0.01 -0.21 -0.04 2.98 2.79 3dh9A1 TYR 265 HD2 0.08 0.02 -0.40 -0.04 7.15 6.81 3dh9A1 TYR 265 HE2 0.09 0.01 -0.26 -0.04 6.85 6.65 3dh9A1 LYS 266 H 0.23 0.55 0.26 -0.55 8.42 8.90 3dh9A1 LYS 266 HA 0.07 0.32 1.07 -0.75 4.32 5.02 3dh9A1 LYS 266 HB2 0.05 -0.01 -0.22 -0.04 1.87 1.65 3dh9A1 LYS 266 HB3 0.07 -0.03 -0.02 -0.04 1.79 1.77 3dh9A1 LYS 266 HG2 0.05 -0.05 -0.51 -0.04 1.46 0.91 3dh9A1 LYS 266 HG3 0.03 0.14 -0.20 -0.04 1.46 1.38 3dh9A1 LYS 266 HD2 0.02 0.03 -0.08 -0.04 1.69 1.61 3dh9A1 LYS 266 HD3 0.03 -0.06 -0.11 -0.04 1.68 1.50 3dh9A1 LYS 266 HE2 0.02 -0.06 -0.10 -0.04 2.99 2.81 3dh9A1 LYS 266 HE3 0.02 0.07 -0.08 -0.04 2.99 2.96 3dh9A1 ASN 267 H 0.08 0.64 0.21 -0.55 8.53 8.92 3dh9A1 ASN 267 HA 0.08 0.35 0.96 -0.75 4.76 5.40 3dh9A1 ASN 267 HB2 0.09 0.08 0.14 -0.04 2.88 3.15 3dh9A1 ASN 267 HB3 0.05 -0.19 0.21 -0.04 2.79 2.83 3dh9A1 ASN 267 HD21 0.04 -0.01 0.06 -0.04 7.03 7.08 3dh9A1 ASN 267 HD22 0.06 0.04 0.05 -0.04 7.74 7.85 3dh9A1 VAL 268 H 0.04 0.66 0.37 -0.55 8.24 8.76 3dh9A1 VAL 268 HA 0.03 0.13 0.24 -0.75 4.13 3.77 3dh9A1 VAL 268 HB 0.04 0.02 -0.07 -0.04 2.12 2.06 3dh9A1 VAL 268 HG13 0.03 0.11 -0.06 -0.04 0.97 1.00 3dh9A1 VAL 268 HG23 0.02 -0.01 -0.01 -0.04 0.95 0.91 3dh9A1 GLU 269 H 0.03 -0.00 0.00 -0.55 8.60 8.08 3dh9A1 GLU 269 HA 0.02 0.19 0.73 -0.75 4.29 4.48 3dh9A1 GLU 269 HB2 0.02 -0.05 0.15 -0.04 2.09 2.17 3dh9A1 GLU 269 HB3 0.02 0.04 0.06 -0.04 1.99 2.06 3dh9A1 GLU 269 HG2 0.02 -0.04 -0.07 -0.04 2.34 2.22 3dh9A1 GLU 269 HG3 0.02 0.02 0.08 -0.04 2.34 2.42 3dh9A1 THR 270 H 0.03 -0.02 -0.01 -0.55 8.28 7.73 3dh9A1 THR 270 HA 0.02 0.18 0.47 -0.75 4.39 4.31 3dh9A1 THR 270 HB 0.02 0.06 0.09 -0.04 4.32 4.45 3dh9A1 THR 270 HG23 0.02 0.01 0.02 -0.04 1.22 1.23 3dh9A1 GLY 271 H 0.03 0.25 -0.18 -0.55 8.43 7.98 3dh9A1 GLY 271 HA2 0.02 0.11 0.28 -0.51 4.01 3.91 3dh9A1 GLY 271 HA3 0.01 0.13 0.65 -0.51 4.01 4.30 3dh9A1 GLU 272 H 0.02 -0.10 -0.31 -0.55 8.60 7.67 3dh9A1 GLU 272 HA 0.00 0.06 0.36 -0.75 4.29 3.96 3dh9A1 GLU 272 HB2 0.02 -0.03 0.07 -0.04 2.09 2.11 3dh9A1 GLU 272 HB3 0.03 -0.07 0.05 -0.04 1.99 1.97 3dh9A1 GLU 272 HG2 -0.01 0.09 0.01 -0.04 2.34 2.40 3dh9A1 GLU 272 HG3 0.01 0.00 0.02 -0.04 2.34 2.33 3dh9A1 GLU 273 H -0.02 0.13 0.25 -0.55 8.60 8.42 3dh9A1 GLU 273 HA -0.05 0.30 1.23 -0.75 4.29 5.02 3dh9A1 GLU 273 HB2 -0.03 -0.05 0.17 -0.04 2.09 2.14 3dh9A1 GLU 273 HB3 -0.05 -0.00 0.07 -0.04 1.99 1.97 3dh9A1 GLU 273 HG2 -0.00 0.01 -0.04 -0.04 2.34 2.27 3dh9A1 GLU 273 HG3 -0.00 0.18 -0.12 -0.04 2.34 2.36 3dh9A1 SER 274 H -0.30 0.74 0.43 -0.55 8.46 8.78 3dh9A1 SER 274 HA -0.20 0.15 0.85 -0.75 4.49 4.54 3dh9A1 SER 274 HB2 -0.47 -0.01 -0.12 -0.04 3.95 3.31 3dh9A1 SER 274 HB3 -0.67 0.04 -0.02 -0.04 3.93 3.23 3dh9A1 GLU 275 H -0.22 0.29 0.24 -0.55 8.60 8.37 3dh9A1 GLU 275 HA -0.19 0.29 0.72 -0.75 4.29 4.36 3dh9A1 GLU 275 HB2 -0.02 0.04 0.04 -0.04 2.09 2.12 3dh9A1 GLU 275 HB3 -0.09 -0.01 -0.13 -0.04 1.99 1.72 3dh9A1 GLU 275 HG2 -0.07 -0.05 -0.03 -0.04 2.34 2.15 3dh9A1 GLU 275 HG3 -0.03 0.00 -0.26 -0.04 2.34 2.00 3dh9A1 ASP 276 H 0.15 0.52 0.32 -0.55 8.40 8.85 3dh9A1 ASP 276 HA -0.05 0.06 0.43 -0.75 4.63 4.32 3dh9A1 ASP 276 HB2 0.24 -0.01 -0.29 -0.04 2.71 2.61 3dh9A1 ASP 276 HB3 -0.16 0.01 -0.12 -0.04 2.70 2.39 3dh9A1 VAL 277 H -0.23 0.16 0.16 -0.55 8.24 7.79 3dh9A1 VAL 277 HA -0.05 0.45 1.29 -0.75 4.13 5.06 3dh9A1 VAL 277 HB -0.06 -0.00 -0.07 -0.04 2.12 1.95 3dh9A1 VAL 277 HG13 -0.06 -0.02 -0.10 -0.04 0.97 0.74 3dh9A1 VAL 277 HG23 -0.12 -0.00 -0.15 -0.04 0.95 0.64 3dh9A1 TYR 278 H 0.07 0.67 0.39 -0.55 8.29 8.86 3dh9A1 TYR 278 HA -0.06 0.13 0.79 -0.75 4.56 4.66 3dh9A1 TYR 278 HB2 -0.10 -0.02 -0.09 -0.04 3.06 2.81 3dh9A1 TYR 278 HB3 -0.12 0.15 0.08 -0.04 2.98 3.06 3dh9A1 TYR 278 HD2 -0.06 0.06 -0.31 -0.04 7.15 6.80 3dh9A1 TYR 278 HE2 -0.00 0.02 -0.19 -0.04 6.85 6.64 3dh9A1 ASP 279 H 0.02 0.59 0.36 -0.55 8.40 8.82 3dh9A1 ASP 279 HA -0.03 0.05 0.84 -0.75 4.63 4.73 3dh9A1 ASP 279 HB2 -0.10 0.25 0.24 -0.04 2.71 3.06 3dh9A1 ASP 279 HB3 -0.08 0.03 0.10 -0.04 2.70 2.70 3dh9A1 THR 280 H -0.06 0.34 0.23 -0.55 8.28 8.25 3dh9A1 THR 280 HA -0.13 0.18 0.79 -0.75 4.39 4.48 3dh9A1 THR 280 HB -0.21 -0.06 -0.03 -0.04 4.32 3.97 3dh9A1 THR 280 HG23 -0.22 -0.04 -0.21 -0.04 1.22 0.70 3dh9A1 VAL 281 H -0.25 0.34 0.14 -0.55 8.24 7.93 3dh9A1 VAL 281 HA -0.50 0.14 0.92 -0.75 4.13 3.94 3dh9A1 VAL 281 HB -0.43 0.08 0.08 -0.04 2.12 1.81 3dh9A1 VAL 281 HG13 -1.27 -0.02 -0.15 -0.04 0.97 -0.51 3dh9A1 VAL 281 HG23 -0.25 -0.00 -0.22 -0.04 0.95 0.44 3dh9A1 LEU 282 H -0.47 0.80 0.25 -0.55 8.37 8.40 3dh9A1 LEU 282 HA -0.41 0.19 0.90 -0.75 4.35 4.27 3dh9A1 LEU 282 HB2 -0.26 0.02 -0.11 -0.04 1.64 1.25 3dh9A1 LEU 282 HB3 -0.29 0.05 0.09 -0.04 1.64 1.45 3dh9A1 LEU 282 HG -0.17 -0.06 -0.40 -0.04 1.64 0.97 3dh9A1 LEU 282 HD13 -0.17 0.01 -0.28 -0.04 0.93 0.46 3dh9A1 LEU 282 HD23 -0.20 -0.00 -0.15 -0.04 0.89 0.50 3dh9A1 TRP 283 H -0.32 0.71 0.38 -0.55 7.97 8.19 3dh9A1 TRP 283 HA -0.13 0.07 0.94 -0.75 4.62 4.75 3dh9A1 TRP 283 HB2 -0.31 0.03 0.29 -0.04 3.23 3.20 3dh9A1 TRP 283 HB3 -0.17 -0.05 0.15 -0.04 3.23 3.13 3dh9A1 TRP 283 HD1 -0.45 0.02 -0.03 -0.04 7.22 6.72 3dh9A1 TRP 283 HE1 0.21 0.43 0.11 -0.04 10.20 10.91 3dh9A1 TRP 283 HE3 -0.08 -0.03 0.04 -0.04 7.59 7.48 3dh9A1 TRP 283 HZ2 0.08 0.02 -0.13 -0.04 7.44 7.37 3dh9A1 TRP 283 HZ3 -0.04 -0.03 -0.08 -0.04 7.13 6.94 3dh9A1 TRP 283 HH2 0.02 0.00 -0.18 -0.04 7.19 6.99 3dh9A1 ALA 284 H 0.07 0.92 0.27 -0.55 8.40 9.11 3dh9A1 ALA 284 HA -0.01 0.10 0.82 -0.75 4.34 4.50 3dh9A1 ALA 284 HB3 -0.07 -0.02 0.00 -0.04 1.41 1.28 3dh9A1 ILE 285 H 0.02 0.30 -0.05 -0.55 8.25 7.97 3dh9A1 ILE 285 HA 0.00 0.08 0.68 -0.75 4.18 4.19 3dh9A1 ILE 285 HB -0.02 -0.01 0.14 -0.04 1.89 1.96 3dh9A1 ILE 285 HG12 -0.04 0.08 -0.09 -0.04 1.49 1.40 3dh9A1 ILE 285 HG13 -0.04 0.01 -0.27 -0.04 1.21 0.87 3dh9A1 ILE 285 HG23 0.07 -0.01 -0.07 -0.04 0.93 0.87 3dh9A1 ILE 285 HD13 -0.13 -0.01 -0.29 -0.04 0.88 0.41 3dh9A1 GLY 286 H -0.02 0.04 -0.17 -0.55 8.43 7.73 3dh9A1 GLY 286 HA2 -0.01 -0.03 0.26 -0.51 4.01 3.71 3dh9A1 GLY 286 HA3 -0.00 0.27 0.79 -0.51 4.01 4.56 3dh9A1 ARG 287 H 0.02 0.31 0.16 -0.55 8.46 8.39 3dh9A1 ARG 287 HA 0.04 0.20 0.73 -0.75 4.34 4.55 3dh9A1 ARG 287 HB2 0.04 -0.01 -0.02 -0.04 1.90 1.87 3dh9A1 ARG 287 HB3 0.06 0.02 -0.22 -0.04 1.80 1.62 3dh9A1 ARG 287 HG2 0.04 0.06 -0.24 -0.04 1.67 1.50 3dh9A1 ARG 287 HG3 0.01 -0.15 -0.40 -0.04 1.67 1.10 3dh9A1 ARG 287 HD2 0.04 -0.00 -0.09 -0.04 3.22 3.13 3dh9A1 ARG 287 HD3 0.05 -0.01 -0.08 -0.04 3.22 3.13 3dh9A1 LYS 288 H 0.06 0.71 0.23 -0.55 8.42 8.85 3dh9A1 LYS 288 HA 0.04 0.10 0.88 -0.75 4.32 4.59 3dh9A1 LYS 288 HB2 0.04 -0.02 0.03 -0.04 1.87 1.87 3dh9A1 LYS 288 HB3 0.06 0.08 0.15 -0.04 1.79 2.03 3dh9A1 LYS 288 HG2 0.05 0.17 -0.19 -0.04 1.46 1.44 3dh9A1 LYS 288 HG3 0.04 -0.07 0.08 -0.04 1.46 1.47 3dh9A1 LYS 288 HD2 0.03 -0.02 0.01 -0.04 1.69 1.67 3dh9A1 LYS 288 HD3 0.05 0.02 -0.01 -0.04 1.68 1.69 3dh9A1 LYS 288 HE2 0.03 0.01 0.02 -0.04 2.99 3.01 3dh9A1 LYS 288 HE3 0.03 -0.03 0.01 -0.04 2.99 2.96 3dh9A1 GLY 289 H 0.05 0.12 0.13 -0.55 8.43 8.19 3dh9A1 GLY 289 HA2 0.07 0.01 0.39 -0.51 4.01 3.97 3dh9A1 GLY 289 HA3 0.06 0.28 0.39 -0.51 4.01 4.23 3dh9A1 LEU 290 H 0.07 0.65 0.25 -0.55 8.37 8.80 3dh9A1 LEU 290 HA 0.06 0.10 0.55 -0.75 4.35 4.30 3dh9A1 LEU 290 HB2 0.08 0.10 0.06 -0.04 1.64 1.84 3dh9A1 LEU 290 HB3 0.07 -0.07 0.16 -0.04 1.64 1.75 3dh9A1 LEU 290 HG 0.09 -0.07 -0.09 -0.04 1.64 1.52 3dh9A1 LEU 290 HD13 0.10 0.06 -0.05 -0.04 0.93 1.00 3dh9A1 LEU 290 HD23 0.08 0.00 -0.05 -0.04 0.89 0.87 3dh9A1 VAL 291 H 0.05 0.46 -0.22 -0.55 8.24 7.99 3dh9A1 VAL 291 HA 0.06 0.09 0.49 -0.75 4.13 4.02 3dh9A1 VAL 291 HB 0.04 -0.01 -0.06 -0.04 2.12 2.04 3dh9A1 VAL 291 HG13 0.05 0.04 -0.24 -0.04 0.97 0.77 3dh9A1 VAL 291 HG23 0.03 0.06 -0.04 -0.04 0.95 0.96 3dh9A1 ASP 292 H 0.04 0.12 -0.09 -0.55 8.40 7.93 3dh9A1 ASP 292 HA 0.02 0.06 0.30 -0.75 4.63 4.26 3dh9A1 ASP 292 HB2 0.03 0.06 0.05 -0.04 2.71 2.80 3dh9A1 ASP 292 HB3 0.02 0.04 0.08 -0.04 2.70 2.80 3dh9A1 ASP 293 H 0.04 0.10 -0.16 -0.55 8.40 7.83 3dh9A1 ASP 293 HA 0.01 0.08 0.24 -0.75 4.63 4.21 3dh9A1 ASP 293 HB2 0.03 0.02 -0.03 -0.04 2.71 2.69 3dh9A1 ASP 293 HB3 -0.00 0.05 -0.01 -0.04 2.70 2.69 3dh9A1 LEU 294 H 0.05 0.16 -0.33 -0.55 8.37 7.71 3dh9A1 LEU 294 HA 0.03 0.17 0.70 -0.75 4.35 4.50 3dh9A1 LEU 294 HB2 0.09 0.18 0.12 -0.04 1.64 1.99 3dh9A1 LEU 294 HB3 0.22 -0.07 0.03 -0.04 1.64 1.77 3dh9A1 LEU 294 HG 0.07 0.07 0.09 -0.04 1.64 1.83 3dh9A1 LEU 294 HD13 0.11 -0.05 0.01 -0.04 0.93 0.96 3dh9A1 LEU 294 HD23 0.06 0.03 0.02 -0.04 0.89 0.97 3dh9A1 ASN 295 H 0.04 0.38 -0.24 -0.55 8.53 8.16 3dh9A1 ASN 295 HA 0.03 0.03 0.32 -0.75 4.76 4.38 3dh9A1 ASN 295 HB2 0.06 0.20 0.22 -0.04 2.88 3.33 3dh9A1 ASN 295 HB3 0.03 -0.08 0.19 -0.04 2.79 2.89 3dh9A1 ASN 295 HD21 -0.00 -0.03 -0.05 -0.04 7.03 6.91 3dh9A1 ASN 295 HD22 0.01 0.07 -0.06 -0.04 7.74 7.72 3dh9A1 LEU 296 H 0.05 0.17 -0.15 -0.55 8.37 7.89 3dh9A1 LEU 296 HA -0.06 0.05 0.28 -0.75 4.35 3.86 3dh9A1 LEU 296 HB2 -0.01 0.03 0.01 -0.04 1.64 1.63 3dh9A1 LEU 296 HB3 -0.06 0.10 -0.02 -0.04 1.64 1.62 3dh9A1 LEU 296 HG 0.06 0.04 -0.01 -0.04 1.64 1.69 3dh9A1 LEU 296 HD13 0.01 -0.00 -0.12 -0.04 0.93 0.78 3dh9A1 LEU 296 HD23 0.04 -0.00 -0.08 -0.04 0.89 0.81 3dh9A1 PRO 297 HA -0.05 0.06 0.49 -0.51 4.44 4.43 3dh9A1 PRO 297 HB2 -0.02 0.07 -0.07 -0.04 2.28 2.22 3dh9A1 PRO 297 HB3 -0.02 0.03 0.04 -0.04 2.02 2.03 3dh9A1 PRO 297 HG2 -0.01 0.05 -0.01 -0.04 2.03 2.02 3dh9A1 PRO 297 HG3 -0.02 0.04 -0.01 -0.04 2.03 2.00 3dh9A1 PRO 297 HD2 0.00 0.07 -0.20 -0.04 3.68 3.51 3dh9A1 PRO 297 HD3 -0.00 0.05 -0.00 -0.04 3.65 3.65 3dh9A1 ASN 298 H -0.01 0.40 -0.24 -0.55 8.53 8.14 3dh9A1 ASN 298 HA -0.01 0.02 0.47 -0.75 4.76 4.49 3dh9A1 ASN 298 HB2 0.04 0.20 -0.05 -0.04 2.88 3.04 3dh9A1 ASN 298 HB3 0.02 0.16 -0.20 -0.04 2.79 2.73 3dh9A1 ASN 298 HD21 0.02 -0.15 0.07 -0.04 7.03 6.93 3dh9A1 ASN 298 HD22 0.04 0.56 0.22 -0.04 7.74 8.52 3dh9A1 ALA 299 H -0.13 0.30 -0.45 -0.55 8.40 7.58 3dh9A1 ALA 299 HA -0.19 -0.00 0.58 -0.75 4.34 3.97 3dh9A1 ALA 299 HB3 -0.71 -0.00 -0.07 -0.04 1.41 0.58 3dh9A1 GLY 300 H -0.12 0.31 -0.06 -0.55 8.43 8.02 3dh9A1 GLY 300 HA2 -0.08 0.04 0.25 -0.51 4.01 3.71 3dh9A1 GLY 300 HA3 -0.10 0.08 0.45 -0.51 4.01 3.94 3dh9A1 VAL 301 H -0.17 0.22 -0.15 -0.55 8.24 7.58 3dh9A1 VAL 301 HA -0.12 -0.03 0.46 -0.75 4.13 3.68 3dh9A1 VAL 301 HB -0.17 -0.04 0.05 -0.04 2.12 1.91 3dh9A1 VAL 301 HG13 -0.08 0.00 -0.13 -0.04 0.97 0.72 3dh9A1 VAL 301 HG23 -0.27 0.00 -0.07 -0.04 0.95 0.57 3dh9A1 THR 302 H -0.07 0.04 0.21 -0.55 8.28 7.91 3dh9A1 THR 302 HA -0.05 0.13 0.65 -0.75 4.39 4.36 3dh9A1 THR 302 HB -0.05 0.00 0.14 -0.04 4.32 4.37 3dh9A1 THR 302 HG23 -0.05 0.01 0.05 -0.04 1.22 1.18 3dh9A1 VAL 303 H -0.04 0.21 0.24 -0.55 8.24 8.10 3dh9A1 VAL 303 HA -0.02 0.20 0.74 -0.75 4.13 4.30 3dh9A1 VAL 303 HB -0.02 0.00 -0.10 -0.04 2.12 1.96 3dh9A1 VAL 303 HG13 -0.01 -0.01 -0.10 -0.04 0.97 0.80 3dh9A1 VAL 303 HG23 0.01 0.01 -0.15 -0.04 0.95 0.78 3dh9A1 GLN 304 H -0.01 0.86 0.12 -0.55 8.47 8.90 3dh9A1 GLN 304 HA -0.08 0.11 0.87 -0.75 4.36 4.50 3dh9A1 GLN 304 HB2 -0.22 0.06 -0.09 -0.04 2.15 1.86 3dh9A1 GLN 304 HB3 -0.15 -0.00 0.03 -0.04 2.02 1.85 3dh9A1 GLN 304 HG2 -0.37 -0.08 -0.03 -0.04 2.40 1.88 3dh9A1 GLN 304 HG3 -0.22 0.00 -0.06 -0.04 2.39 2.07 3dh9A1 GLN 304 HE21 -0.48 0.02 -0.04 -0.04 6.97 6.43 3dh9A1 GLN 304 HE22 -0.34 -0.02 -0.04 -0.04 7.69 7.25 3dh9A1 LYS 305 H -0.02 0.19 0.02 -0.55 8.42 8.05 3dh9A1 LYS 305 HA 0.01 0.07 0.31 -0.75 4.32 3.96 3dh9A1 LYS 305 HB2 0.05 0.17 0.31 -0.04 1.87 2.36 3dh9A1 LYS 305 HB3 0.03 -0.09 0.29 -0.04 1.79 1.98 3dh9A1 LYS 305 HG2 0.01 0.04 0.07 -0.04 1.46 1.54 3dh9A1 LYS 305 HG3 0.01 0.00 -0.03 -0.04 1.46 1.40 3dh9A1 LYS 305 HD2 0.05 0.01 0.01 -0.04 1.69 1.72 3dh9A1 LYS 305 HD3 0.03 -0.02 0.06 -0.04 1.68 1.71 3dh9A1 LYS 305 HE2 0.03 -0.00 0.01 -0.04 2.99 2.98 3dh9A1 LYS 305 HE3 0.02 0.01 0.02 -0.04 2.99 2.99 3dh9A1 ASP 306 H 0.05 0.12 0.20 -0.55 8.40 8.22 3dh9A1 ASP 306 HA 0.04 0.16 0.66 -0.75 4.63 4.73 3dh9A1 ASP 306 HB2 0.05 0.06 0.27 -0.04 2.71 3.05 3dh9A1 ASP 306 HB3 0.04 0.02 0.13 -0.04 2.70 2.85 3dh9A1 LYS 307 H 0.07 0.40 -0.33 -0.55 8.42 8.01 3dh9A1 LYS 307 HA 0.07 0.23 0.96 -0.75 4.32 4.83 3dh9A1 LYS 307 HB2 0.25 0.04 -0.03 -0.04 1.87 2.09 3dh9A1 LYS 307 HB3 0.15 0.03 -0.27 -0.04 1.79 1.67 3dh9A1 LYS 307 HG2 0.10 -0.14 -0.15 -0.04 1.46 1.23 3dh9A1 LYS 307 HG3 0.07 -0.05 -0.12 -0.04 1.46 1.32 3dh9A1 LYS 307 HD2 0.06 0.15 -0.18 -0.04 1.69 1.67 3dh9A1 LYS 307 HD3 0.06 -0.00 -0.15 -0.04 1.68 1.55 3dh9A1 LYS 307 HE2 0.05 -0.10 -0.08 -0.04 2.99 2.82 3dh9A1 LYS 307 HE3 0.04 -0.09 -0.02 -0.04 2.99 2.88 3dh9A1 ILE 308 H 0.08 0.75 0.32 -0.55 8.25 8.85 3dh9A1 ILE 308 HA 0.02 0.25 1.04 -0.75 4.18 4.74 3dh9A1 ILE 308 HB 0.05 -0.10 -0.02 -0.04 1.89 1.78 3dh9A1 ILE 308 HG12 0.02 0.08 -0.16 -0.04 1.49 1.39 3dh9A1 ILE 308 HG13 0.05 -0.09 -0.27 -0.04 1.21 0.86 3dh9A1 ILE 308 HG23 -0.00 0.10 -0.14 -0.04 0.93 0.85 3dh9A1 ILE 308 HD13 0.06 -0.02 -0.11 -0.04 0.88 0.77 3dh9A1 PRO 309 HA 0.07 0.02 0.62 -0.51 4.44 4.65 3dh9A1 PRO 309 HB2 -0.05 0.03 -0.06 -0.04 2.28 2.17 3dh9A1 PRO 309 HB3 -0.07 0.03 0.02 -0.04 2.02 1.96 3dh9A1 PRO 309 HG2 -0.09 0.03 -0.15 -0.04 2.03 1.78 3dh9A1 PRO 309 HG3 -0.16 -0.01 -0.09 -0.04 2.03 1.74 3dh9A1 PRO 309 HD2 -0.03 0.38 0.14 -0.04 3.68 4.13 3dh9A1 PRO 309 HD3 -0.02 0.13 0.17 -0.04 3.65 3.89 3dh9A1 VAL 310 H 0.03 0.19 0.21 -0.55 8.24 8.12 3dh9A1 VAL 310 HA -0.01 0.33 0.83 -0.75 4.13 4.52 3dh9A1 VAL 310 HB 0.04 -0.08 -0.20 -0.04 2.12 1.84 3dh9A1 VAL 310 HG13 0.03 0.01 -0.38 -0.04 0.97 0.58 3dh9A1 VAL 310 HG23 0.04 0.01 -0.03 -0.04 0.95 0.92 3dh9A1 ASP 311 H -0.01 0.65 0.19 -0.55 8.40 8.69 3dh9A1 ASP 311 HA 0.01 0.15 0.65 -0.75 4.63 4.68 3dh9A1 ASP 311 HB2 0.01 -0.02 0.16 -0.04 2.71 2.81 3dh9A1 ASP 311 HB3 -0.02 0.13 0.07 -0.04 2.70 2.84 3dh9A1 SER 312 H 0.04 0.20 0.14 -0.55 8.46 8.29 3dh9A1 SER 312 HA 0.09 0.11 0.27 -0.75 4.49 4.21 3dh9A1 SER 312 HB2 0.08 0.04 0.17 -0.04 3.95 4.20 3dh9A1 SER 312 HB3 0.05 -0.00 0.15 -0.04 3.93 4.08 3dh9A1 GLN 313 H 0.08 0.00 -0.92 -0.55 8.47 7.08 3dh9A1 GLN 313 HA 0.09 0.19 0.69 -0.75 4.36 4.58 3dh9A1 GLN 313 HB2 0.07 -0.04 -0.07 -0.04 2.15 2.07 3dh9A1 GLN 313 HB3 0.12 -0.07 -0.02 -0.04 2.02 2.01 3dh9A1 GLN 313 HG2 0.20 0.04 0.03 -0.04 2.40 2.63 3dh9A1 GLN 313 HG3 0.09 0.05 0.07 -0.04 2.39 2.56 3dh9A1 GLN 313 HE21 0.04 0.01 -0.02 -0.04 6.97 6.96 3dh9A1 GLN 313 HE22 0.07 -0.01 -0.02 -0.04 7.69 7.70 3dh9A1 GLU 314 H 0.12 0.36 -0.07 -0.55 8.60 8.47 3dh9A1 GLU 314 HA 0.11 0.12 0.29 -0.75 4.29 4.05 3dh9A1 GLU 314 HB2 0.20 -0.02 0.26 -0.04 2.09 2.50 3dh9A1 GLU 314 HB3 0.15 -0.00 0.19 -0.04 1.99 2.28 3dh9A1 GLU 314 HG2 0.15 0.19 -0.29 -0.04 2.34 2.34 3dh9A1 GLU 314 HG3 0.14 -0.08 -0.07 -0.04 2.34 2.28 3dh9A1 ALA 315 H 0.06 -0.11 -0.45 -0.55 8.40 7.36 3dh9A1 ALA 315 HA -0.67 0.17 0.57 -0.75 4.34 3.64 3dh9A1 ALA 315 HB3 -0.21 0.01 0.02 -0.04 1.41 1.19 3dh9A1 THR 316 H -0.24 0.67 0.40 -0.55 8.28 8.56 3dh9A1 THR 316 HA -0.07 0.24 0.77 -0.75 4.39 4.58 3dh9A1 THR 316 HB -0.09 -0.13 0.24 -0.04 4.32 4.30 3dh9A1 THR 316 HG23 -0.05 0.01 -0.12 -0.04 1.22 1.02 3dh9A1 ASN 317 H -0.09 0.10 0.16 -0.55 8.53 8.16 3dh9A1 ASN 317 HA -0.07 0.12 0.56 -0.75 4.76 4.62 3dh9A1 ASN 317 HB2 -0.06 0.02 0.12 -0.04 2.88 2.92 3dh9A1 ASN 317 HB3 -0.06 -0.00 0.12 -0.04 2.79 2.81 3dh9A1 ASN 317 HD21 -0.08 0.66 0.20 -0.04 7.03 7.78 3dh9A1 ASN 317 HD22 -0.06 -0.04 -0.03 -0.04 7.74 7.56 3dh9A1 VAL 318 H -0.13 0.03 -0.15 -0.55 8.24 7.44 3dh9A1 VAL 318 HA -0.09 0.15 0.87 -0.75 4.13 4.30 3dh9A1 VAL 318 HB -0.18 -0.05 0.13 -0.04 2.12 1.98 3dh9A1 VAL 318 HG13 -0.13 -0.02 0.02 -0.04 0.97 0.80 3dh9A1 VAL 318 HG23 -0.13 0.05 -0.13 -0.04 0.95 0.70 3dh9A1 ALA 319 H -0.07 0.18 0.08 -0.55 8.40 8.04 3dh9A1 ALA 319 HA -0.13 0.10 0.11 -0.75 4.34 3.66 3dh9A1 ALA 319 HB3 -0.02 0.01 0.08 -0.04 1.41 1.44 3dh9A1 ASN 320 H -0.09 -0.01 -0.31 -0.55 8.53 7.57 3dh9A1 ASN 320 HA 0.11 0.17 0.69 -0.75 4.76 4.97 3dh9A1 ASN 320 HB2 -0.02 0.23 0.21 -0.04 2.88 3.26 3dh9A1 ASN 320 HB3 0.02 -0.05 0.04 -0.04 2.79 2.76 3dh9A1 ASN 320 HD21 -0.49 0.26 0.02 -0.04 7.03 6.78 3dh9A1 ASN 320 HD22 -0.60 0.15 0.06 -0.04 7.74 7.30 3dh9A1 ILE 321 H -0.16 0.31 -0.00 -0.55 8.25 7.86 3dh9A1 ILE 321 HA 0.17 0.20 1.07 -0.75 4.18 4.87 3dh9A1 ILE 321 HB -0.17 -0.07 0.18 -0.04 1.89 1.78 3dh9A1 ILE 321 HG12 -0.10 0.09 -0.00 -0.04 1.49 1.44 3dh9A1 ILE 321 HG13 -0.18 -0.10 -0.01 -0.04 1.21 0.88 3dh9A1 ILE 321 HG23 -0.04 -0.02 -0.08 -0.04 0.93 0.75 3dh9A1 ILE 321 HD13 -0.59 -0.02 0.03 -0.04 0.88 0.26 3dh9A1 TYR 322 H 0.34 0.81 0.48 -0.55 8.29 9.37 3dh9A1 TYR 322 HA 0.03 0.17 1.03 -0.75 4.56 5.05 3dh9A1 TYR 322 HB2 0.06 -0.07 0.08 -0.04 3.06 3.09 3dh9A1 TYR 322 HB3 0.05 0.04 0.02 -0.04 2.98 3.05 3dh9A1 TYR 322 HD2 0.04 0.06 -0.30 -0.04 7.15 6.90 3dh9A1 TYR 322 HE2 0.00 0.01 -0.07 -0.04 6.85 6.75 3dh9A1 ALA 323 H 0.14 0.62 0.29 -0.55 8.40 8.90 3dh9A1 ALA 323 HA 0.13 0.14 0.79 -0.75 4.34 4.65 3dh9A1 ALA 323 HB3 0.08 -0.01 -0.02 -0.04 1.41 1.42 3dh9A1 VAL 324 H 0.10 0.62 0.31 -0.55 8.24 8.72 3dh9A1 VAL 324 HA 0.12 0.13 0.69 -0.75 4.13 4.32 3dh9A1 VAL 324 HB 0.11 0.18 -0.40 -0.04 2.12 1.97 3dh9A1 VAL 324 HG13 0.08 -0.02 -0.23 -0.04 0.97 0.76 3dh9A1 VAL 324 HG23 0.10 0.01 -0.17 -0.04 0.95 0.84 3dh9A1 GLY 325 H 0.12 0.22 0.12 -0.55 8.43 8.34 3dh9A1 GLY 325 HA2 0.09 0.05 0.32 -0.51 4.01 3.96 3dh9A1 GLY 325 HA3 0.08 -0.06 0.48 -0.51 4.01 3.99 3dh9A1 ASP 326 H 0.07 0.01 0.16 -0.55 8.40 8.10 3dh9A1 ASP 326 HA 0.05 0.16 0.33 -0.75 4.63 4.43 3dh9A1 ASP 326 HB2 0.07 -0.14 0.13 -0.04 2.71 2.73 3dh9A1 ASP 326 HB3 0.07 0.09 -0.09 -0.04 2.70 2.73 3dh9A1 ILE 327 H 0.07 0.05 -0.24 -0.55 8.25 7.58 3dh9A1 ILE 327 HA 0.06 0.06 0.30 -0.75 4.18 3.85 3dh9A1 ILE 327 HB 0.07 0.07 -0.23 -0.04 1.89 1.75 3dh9A1 ILE 327 HG12 0.08 -0.14 -0.05 -0.04 1.49 1.34 3dh9A1 ILE 327 HG13 0.08 -0.29 0.05 -0.04 1.21 1.00 3dh9A1 ILE 327 HG23 0.07 0.03 -0.03 -0.04 0.93 0.95 3dh9A1 ILE 327 HD13 0.08 0.11 -0.09 -0.04 0.88 0.93 3dh9A1 ILE 328 H 0.05 0.22 -0.53 -0.55 8.25 7.45 3dh9A1 ILE 328 HA 0.06 0.32 0.61 -0.75 4.18 4.42 3dh9A1 ILE 328 HB 0.04 0.23 -0.04 -0.04 1.89 2.08 3dh9A1 ILE 328 HG12 0.05 0.16 -0.10 -0.04 1.49 1.56 3dh9A1 ILE 328 HG13 0.07 -0.17 -0.47 -0.04 1.21 0.60 3dh9A1 ILE 328 HG23 -0.06 -0.02 -0.26 -0.04 0.93 0.55 3dh9A1 ILE 328 HD13 0.07 0.09 -0.02 -0.04 0.88 0.97 3dh9A1 TYR 329 H 0.14 0.49 0.00 -0.55 8.29 8.37 3dh9A1 TYR 329 HA -0.01 0.01 0.39 -0.75 4.56 4.19 3dh9A1 TYR 329 HB2 -0.01 -0.01 -0.24 -0.04 3.06 2.75 3dh9A1 TYR 329 HB3 -0.03 -0.01 -0.07 -0.04 2.98 2.84 3dh9A1 TYR 329 HD2 -0.02 0.01 -0.13 -0.04 7.15 6.97 3dh9A1 TYR 329 HE2 -0.02 -0.00 -0.06 -0.04 6.85 6.72 3dh9A1 GLY 330 H -0.52 0.14 0.17 -0.55 8.43 7.67 3dh9A1 GLY 330 HA2 -0.51 -0.03 0.27 -0.51 4.01 3.23 3dh9A1 GLY 330 HA3 -0.56 0.07 0.17 -0.51 4.01 3.19 3dh9A1 LYS 331 H -0.18 0.17 -0.20 -0.55 8.42 7.65 3dh9A1 LYS 331 HA -0.19 0.21 0.78 -0.75 4.32 4.36 3dh9A1 LYS 331 HB2 -0.23 -0.02 -0.15 -0.04 1.87 1.43 3dh9A1 LYS 331 HB3 -0.47 0.00 0.02 -0.04 1.79 1.30 3dh9A1 LYS 331 HG2 -0.30 0.11 -0.40 -0.04 1.46 0.83 3dh9A1 LYS 331 HG3 -0.64 -0.02 -0.14 -0.04 1.46 0.62 3dh9A1 LYS 331 HD2 -1.45 -0.06 -0.02 -0.04 1.69 0.12 3dh9A1 LYS 331 HD3 -0.35 0.08 0.01 -0.04 1.68 1.38 3dh9A1 LYS 331 HE2 -0.35 -0.02 -0.05 -0.04 2.99 2.53 3dh9A1 LYS 331 HE3 -0.16 -0.03 -0.03 -0.04 2.99 2.72 3dh9A1 PRO 332 HA -0.00 0.01 0.45 -0.51 4.44 4.38 3dh9A1 PRO 332 HB2 0.09 -0.08 0.05 -0.04 2.28 2.30 3dh9A1 PRO 332 HB3 0.02 0.03 0.01 -0.04 2.02 2.04 3dh9A1 PRO 332 HG2 0.13 0.11 0.11 -0.04 2.03 2.34 3dh9A1 PRO 332 HG3 0.02 0.06 0.09 -0.04 2.03 2.15 3dh9A1 PRO 332 HD2 0.15 0.08 0.20 -0.04 3.68 4.07 3dh9A1 PRO 332 HD3 -0.02 0.21 0.17 -0.04 3.65 3.97 3dh9A1 GLU 333 H 0.05 0.15 0.11 -0.55 8.60 8.36 3dh9A1 GLU 333 HA 0.06 0.11 0.68 -0.75 4.29 4.39 3dh9A1 GLU 333 HB2 0.10 -0.04 0.22 -0.04 2.09 2.33 3dh9A1 GLU 333 HB3 0.08 -0.10 0.10 -0.04 1.99 2.03 3dh9A1 GLU 333 HG2 0.03 0.07 -0.01 -0.04 2.34 2.38 3dh9A1 GLU 333 HG3 0.01 0.19 0.02 -0.04 2.34 2.52 3dh9A1 LEU 334 H 0.07 0.39 0.07 -0.55 8.37 8.35 3dh9A1 LEU 334 HA 0.06 0.16 0.85 -0.75 4.35 4.67 3dh9A1 LEU 334 HB2 0.03 0.01 -0.09 -0.04 1.64 1.56 3dh9A1 LEU 334 HB3 0.01 -0.02 0.08 -0.04 1.64 1.68 3dh9A1 LEU 334 HG 0.03 -0.09 -0.50 -0.04 1.64 1.03 3dh9A1 LEU 334 HD13 -0.02 0.03 -0.07 -0.04 0.93 0.83 3dh9A1 LEU 334 HD23 -0.05 0.04 0.04 -0.04 0.89 0.88 3dh9A1 THR 335 H 0.03 0.22 0.18 -0.55 8.28 8.17 3dh9A1 THR 335 HA 0.04 -0.01 0.54 -0.75 4.39 4.20 3dh9A1 THR 335 HB 0.02 0.11 0.19 -0.04 4.32 4.60 3dh9A1 THR 335 HG23 0.01 0.02 -0.11 -0.04 1.22 1.09 3dh9A1 PRO 336 HA -0.00 0.10 0.48 -0.51 4.44 4.51 3dh9A1 PRO 336 HB2 -0.01 0.10 -0.03 -0.04 2.28 2.30 3dh9A1 PRO 336 HB3 -0.01 0.12 0.08 -0.04 2.02 2.17 3dh9A1 PRO 336 HG2 0.01 0.13 0.05 -0.04 2.03 2.17 3dh9A1 PRO 336 HG3 0.00 0.06 0.03 -0.04 2.03 2.09 3dh9A1 PRO 336 HD2 0.01 0.15 0.07 -0.04 3.68 3.87 3dh9A1 PRO 336 HD3 0.02 -0.03 0.22 -0.04 3.65 3.81 3dh9A1 VAL 337 H 0.02 0.05 -0.50 -0.55 8.24 7.27 3dh9A1 VAL 337 HA -0.03 0.17 0.49 -0.75 4.13 4.00 3dh9A1 VAL 337 HB 0.07 -0.03 0.06 -0.04 2.12 2.17 3dh9A1 VAL 337 HG13 0.17 0.04 -0.10 -0.04 0.97 1.03 3dh9A1 VAL 337 HG23 0.03 0.02 -0.04 -0.04 0.95 0.92 3dh9A1 ALA 338 H 0.05 0.43 0.02 -0.55 8.40 8.36 3dh9A1 ALA 338 HA 0.07 0.01 0.47 -0.75 4.34 4.13 3dh9A1 ALA 338 HB3 0.05 -0.02 0.11 -0.04 1.41 1.51 3dh9A1 VAL 339 H 0.01 0.50 -0.21 -0.55 8.24 8.00 3dh9A1 VAL 339 HA 0.01 0.14 0.34 -0.75 4.13 3.86 3dh9A1 VAL 339 HB -0.01 0.03 0.14 -0.04 2.12 2.24 3dh9A1 VAL 339 HG13 -0.01 0.02 -0.10 -0.04 0.97 0.84 3dh9A1 VAL 339 HG23 0.00 0.05 0.02 -0.04 0.95 0.98 3dh9A1 LEU 340 H -0.02 0.50 -0.12 -0.55 8.37 8.19 3dh9A1 LEU 340 HA -0.03 0.05 0.34 -0.75 4.35 3.96 3dh9A1 LEU 340 HB2 -0.04 0.02 0.14 -0.04 1.64 1.72 3dh9A1 LEU 340 HB3 -0.07 0.05 0.17 -0.04 1.64 1.76 3dh9A1 LEU 340 HG -0.08 -0.02 -0.12 -0.04 1.64 1.38 3dh9A1 LEU 340 HD13 -0.04 -0.01 0.02 -0.04 0.93 0.87 3dh9A1 LEU 340 HD23 -0.07 0.01 0.00 -0.04 0.89 0.79 3dh9A1 ALA 341 H -0.03 0.58 -0.12 -0.55 8.40 8.28 3dh9A1 ALA 341 HA -0.05 0.06 0.49 -0.75 4.34 4.08 3dh9A1 ALA 341 HB3 0.03 -0.01 0.06 -0.04 1.41 1.44 3dh9A1 GLY 342 H 0.02 0.51 -0.29 -0.55 8.43 8.12 3dh9A1 GLY 342 HA2 0.03 -0.01 0.38 -0.51 4.01 3.90 3dh9A1 GLY 342 HA3 0.02 0.08 0.32 -0.51 4.01 3.91 3dh9A1 ARG 343 H -0.01 0.58 -0.10 -0.55 8.46 8.38 3dh9A1 ARG 343 HA -0.00 0.11 0.37 -0.75 4.34 4.06 3dh9A1 ARG 343 HB2 -0.01 -0.01 0.05 -0.04 1.90 1.89 3dh9A1 ARG 343 HB3 -0.02 0.02 0.10 -0.04 1.80 1.87 3dh9A1 ARG 343 HG2 -0.01 0.00 -0.25 -0.04 1.67 1.38 3dh9A1 ARG 343 HG3 -0.01 0.01 0.02 -0.04 1.67 1.65 3dh9A1 ARG 343 HD2 -0.02 -0.01 -0.05 -0.04 3.22 3.10 3dh9A1 ARG 343 HD3 -0.01 0.02 -0.04 -0.04 3.22 3.15 3dh9A1 LEU 344 H -0.02 0.55 -0.11 -0.55 8.37 8.24 3dh9A1 LEU 344 HA -0.02 0.01 0.34 -0.75 4.35 3.92 3dh9A1 LEU 344 HB2 -0.03 0.01 0.05 -0.04 1.64 1.62 3dh9A1 LEU 344 HB3 -0.03 0.18 -0.06 -0.04 1.64 1.70 3dh9A1 LEU 344 HG -0.04 0.17 0.07 -0.04 1.64 1.79 3dh9A1 LEU 344 HD13 -0.06 -0.02 -0.22 -0.04 0.93 0.58 3dh9A1 LEU 344 HD23 -0.03 -0.02 -0.05 -0.04 0.89 0.76 3dh9A1 LEU 345 H -0.01 0.38 -0.45 -0.55 8.37 7.74 3dh9A1 LEU 345 HA -0.06 0.06 0.35 -0.75 4.35 3.95 3dh9A1 LEU 345 HB2 -0.00 -0.01 0.04 -0.04 1.64 1.63 3dh9A1 LEU 345 HB3 -0.02 0.11 0.11 -0.04 1.64 1.80 3dh9A1 LEU 345 HG -0.20 0.00 -0.39 -0.04 1.64 1.01 3dh9A1 LEU 345 HD13 -0.36 0.02 -0.01 -0.04 0.93 0.53 3dh9A1 LEU 345 HD23 -0.04 -0.03 -0.13 -0.04 0.89 0.65 3dh9A1 ALA 346 H -0.01 0.42 -0.13 -0.55 8.40 8.13 3dh9A1 ALA 346 HA 0.03 0.01 0.44 -0.75 4.34 4.06 3dh9A1 ALA 346 HB3 0.06 0.04 -0.02 -0.04 1.41 1.44 3dh9A1 ARG 347 H -0.01 0.49 -0.29 -0.55 8.46 8.10 3dh9A1 ARG 347 HA 0.03 0.03 0.32 -0.75 4.34 3.96 3dh9A1 ARG 347 HB2 -0.00 0.12 0.09 -0.04 1.90 2.06 3dh9A1 ARG 347 HB3 -0.01 0.04 -0.01 -0.04 1.80 1.78 3dh9A1 ARG 347 HG2 -0.00 -0.04 -0.02 -0.04 1.67 1.56 3dh9A1 ARG 347 HG3 0.01 0.00 0.07 -0.04 1.67 1.71 3dh9A1 ARG 347 HD2 0.00 0.01 -0.02 -0.04 3.22 3.18 3dh9A1 ARG 347 HD3 -0.00 0.04 -0.04 -0.04 3.22 3.17 3dh9A1 ARG 348 H -0.05 0.54 -0.14 -0.55 8.46 8.26 3dh9A1 ARG 348 HA -0.04 0.15 0.68 -0.75 4.34 4.37 3dh9A1 ARG 348 HB2 -0.08 0.06 0.07 -0.04 1.90 1.91 3dh9A1 ARG 348 HB3 -0.04 -0.02 0.03 -0.04 1.80 1.73 3dh9A1 ARG 348 HG2 -0.02 -0.13 -0.43 -0.04 1.67 1.06 3dh9A1 ARG 348 HG3 -0.03 0.20 -0.05 -0.04 1.67 1.75 3dh9A1 ARG 348 HD2 -0.00 -0.05 -0.23 -0.04 3.22 2.90 3dh9A1 ARG 348 HD3 -0.00 0.14 -0.64 -0.04 3.22 2.68 3dh9A1 LEU 349 H -0.17 0.32 -0.29 -0.55 8.37 7.68 3dh9A1 LEU 349 HA -0.33 0.04 0.41 -0.75 4.35 3.72 3dh9A1 LEU 349 HB2 -0.41 0.11 0.20 -0.04 1.64 1.50 3dh9A1 LEU 349 HB3 -1.36 -0.05 -0.01 -0.04 1.64 0.18 3dh9A1 LEU 349 HG -0.41 0.07 0.01 -0.04 1.64 1.26 3dh9A1 LEU 349 HD13 -0.31 -0.04 -0.13 -0.04 0.93 0.41 3dh9A1 LEU 349 HD23 -0.37 -0.01 -0.01 -0.04 0.89 0.47 3dh9A1 TYR 350 H -0.06 0.22 -0.08 -0.55 8.29 7.81 3dh9A1 TYR 350 HA -0.01 0.18 0.89 -0.75 4.56 4.87 3dh9A1 TYR 350 HB2 -0.02 0.03 0.02 -0.04 3.06 3.05 3dh9A1 TYR 350 HB3 -0.01 0.19 0.06 -0.04 2.98 3.19 3dh9A1 TYR 350 HD2 -0.02 0.07 -0.01 -0.04 7.15 7.15 3dh9A1 TYR 350 HE2 -0.02 -0.04 -0.06 -0.04 6.85 6.68 3dh9A1 GLY 351 H 0.03 0.32 0.12 -0.55 8.43 8.35 3dh9A1 GLY 351 HA2 0.04 0.21 0.84 -0.51 4.01 4.60 3dh9A1 GLY 351 HA3 0.03 -0.07 0.40 -0.51 4.01 3.86 3dh9A1 GLY 352 H 0.00 0.13 -0.22 -0.55 8.43 7.80 3dh9A1 GLY 352 HA2 -0.01 0.09 0.24 -0.51 4.01 3.82 3dh9A1 GLY 352 HA3 0.00 -0.00 0.32 -0.51 4.01 3.83 3dh9A1 SER 353 H -0.01 0.38 -0.20 -0.55 8.46 8.09 3dh9A1 SER 353 HA -0.01 0.07 0.63 -0.75 4.49 4.42 3dh9A1 SER 353 HB2 -0.01 0.08 -0.08 -0.04 3.95 3.90 3dh9A1 SER 353 HB3 -0.01 0.01 -0.43 -0.04 3.93 3.45 3dh9A1 THR 354 H -0.01 0.11 0.11 -0.55 8.28 7.94 3dh9A1 THR 354 HA -0.00 0.32 0.85 -0.75 4.39 4.80 3dh9A1 THR 354 HB 0.00 0.01 0.14 -0.04 4.32 4.43 3dh9A1 THR 354 HG23 0.00 0.03 -0.09 -0.04 1.22 1.12 3dh9A1 GLN 355 H -0.01 0.05 -0.09 -0.55 8.47 7.87 3dh9A1 GLN 355 HA -0.01 0.06 0.59 -0.75 4.36 4.25 3dh9A1 GLN 355 HB2 -0.01 -0.04 0.08 -0.04 2.15 2.14 3dh9A1 GLN 355 HB3 -0.02 -0.02 0.09 -0.04 2.02 2.03 3dh9A1 GLN 355 HG2 -0.02 0.19 -0.21 -0.04 2.40 2.32 3dh9A1 GLN 355 HG3 -0.02 -0.01 0.03 -0.04 2.39 2.35 3dh9A1 GLN 355 HE21 -0.03 -0.04 -0.03 -0.04 6.97 6.83 3dh9A1 GLN 355 HE22 -0.04 0.04 -0.04 -0.04 7.69 7.61 3dh9A1 ARG 356 H -0.00 0.14 0.22 -0.55 8.46 8.27 3dh9A1 ARG 356 HA 0.01 0.12 0.68 -0.75 4.34 4.39 3dh9A1 ARG 356 HB2 0.02 -0.07 0.08 -0.04 1.90 1.88 3dh9A1 ARG 356 HB3 0.04 0.15 0.14 -0.04 1.80 2.09 3dh9A1 ARG 356 HG2 0.03 0.01 -0.01 -0.04 1.67 1.66 3dh9A1 ARG 356 HG3 0.02 0.12 0.01 -0.04 1.67 1.78 3dh9A1 ARG 356 HD2 0.04 0.02 0.02 -0.04 3.22 3.26 3dh9A1 ARG 356 HD3 0.04 -0.07 -0.09 -0.04 3.22 3.06 3dh9A1 MET 357 H -0.01 0.15 0.09 -0.55 8.47 8.16 3dh9A1 MET 357 HA -0.14 0.06 0.45 -0.75 4.52 4.13 3dh9A1 MET 357 HB2 -0.13 0.03 0.06 -0.04 2.15 2.06 3dh9A1 MET 357 HB3 -0.16 0.01 0.06 -0.04 2.03 1.89 3dh9A1 MET 357 HG2 -0.78 -0.06 -0.09 -0.04 2.63 1.66 3dh9A1 MET 357 HG3 -1.16 -0.02 -0.45 -0.04 2.56 0.89 3dh9A1 MET 357 HE3 -0.29 0.02 -0.02 -0.04 2.10 1.77 3dh9A1 ASP 358 H -0.16 0.17 0.14 -0.55 8.40 8.00 3dh9A1 ASP 358 HA -0.03 0.11 0.89 -0.75 4.63 4.85 3dh9A1 ASP 358 HB2 -0.04 0.09 0.07 -0.04 2.71 2.78 3dh9A1 ASP 358 HB3 -0.07 0.00 0.19 -0.04 2.70 2.79 3dh9A1 TYR 359 H 0.14 0.22 0.09 -0.55 8.29 8.18 3dh9A1 TYR 359 HA -0.01 0.17 0.75 -0.75 4.56 4.72 3dh9A1 TYR 359 HB2 -0.00 0.04 0.04 -0.04 3.06 3.10 3dh9A1 TYR 359 HB3 -0.01 -0.04 0.16 -0.04 2.98 3.05 3dh9A1 TYR 359 HD2 0.00 0.02 -0.01 -0.04 7.15 7.12 3dh9A1 TYR 359 HE2 0.02 -0.01 -0.07 -0.04 6.85 6.75 3dh9A1 LYS 360 H 0.05 0.07 -0.14 -0.55 8.42 7.85 3dh9A1 LYS 360 HA 0.05 0.11 0.69 -0.75 4.32 4.41 3dh9A1 LYS 360 HB2 0.03 0.08 -0.10 -0.04 1.87 1.84 3dh9A1 LYS 360 HB3 0.03 -0.01 0.09 -0.04 1.79 1.87 3dh9A1 LYS 360 HG2 0.06 -0.14 0.05 -0.04 1.46 1.40 3dh9A1 LYS 360 HG3 0.03 0.06 0.02 -0.04 1.46 1.54 3dh9A1 LYS 360 HD2 0.03 0.05 0.01 -0.04 1.69 1.74 3dh9A1 LYS 360 HD3 0.03 0.01 0.01 -0.04 1.68 1.69 3dh9A1 LYS 360 HE2 0.04 0.03 0.00 -0.04 2.99 3.02 3dh9A1 LYS 360 HE3 0.02 0.01 -0.01 -0.04 2.99 2.98 3dh9A1 ASP 361 H 0.02 0.11 0.15 -0.55 8.40 8.12 3dh9A1 ASP 361 HA -0.00 -0.12 0.36 -0.75 4.63 4.11 3dh9A1 ASP 361 HB2 0.01 0.16 -0.06 -0.04 2.71 2.77 3dh9A1 ASP 361 HB3 -0.00 -0.03 0.13 -0.04 2.70 2.76 3dh9A1 VAL 362 H 0.00 0.09 -0.27 -0.55 8.24 7.51 3dh9A1 VAL 362 HA -0.02 0.16 0.81 -0.75 4.13 4.32 3dh9A1 VAL 362 HB 0.00 -0.05 0.06 -0.04 2.12 2.09 3dh9A1 VAL 362 HG13 -0.01 -0.00 -0.13 -0.04 0.97 0.79 3dh9A1 VAL 362 HG23 0.02 0.02 -0.14 -0.04 0.95 0.81 3dh9A1 ALA 363 H -0.04 0.15 0.16 -0.55 8.40 8.12 3dh9A1 ALA 363 HA -0.07 0.17 0.73 -0.75 4.34 4.42 3dh9A1 ALA 363 HB3 -0.05 -0.01 0.04 -0.04 1.41 1.35 3dh9A1 THR 364 H -0.10 0.70 0.43 -0.55 8.28 8.75 3dh9A1 THR 364 HA -0.08 0.08 0.51 -0.75 4.39 4.15 3dh9A1 THR 364 HB -0.07 0.09 -0.13 -0.04 4.32 4.17 3dh9A1 THR 364 HG23 -0.02 0.01 -0.11 -0.04 1.22 1.06 3dh9A1 THR 365 H -0.18 0.22 0.15 -0.55 8.28 7.93 3dh9A1 THR 365 HA -0.32 0.28 0.89 -0.75 4.39 4.49 3dh9A1 THR 365 HB -0.64 -0.01 0.03 -0.04 4.32 3.65 3dh9A1 THR 365 HG23 -0.98 -0.03 -0.30 -0.04 1.22 -0.13 3dh9A1 VAL 366 H -0.28 0.88 0.32 -0.55 8.24 8.60 3dh9A1 VAL 366 HA -0.11 0.06 0.74 -0.75 4.13 4.06 3dh9A1 VAL 366 HB -0.01 0.00 0.28 -0.04 2.12 2.35 3dh9A1 VAL 366 HG13 0.03 -0.01 -0.04 -0.04 0.97 0.91 3dh9A1 VAL 366 HG23 -0.25 0.01 -0.01 -0.04 0.95 0.66 3dh9A1 PHE 367 H 0.11 0.18 -0.02 -0.55 8.34 8.06 3dh9A1 PHE 367 HA -0.12 0.12 0.59 -0.75 4.62 4.45 3dh9A1 PHE 367 HB2 -0.16 -0.01 0.10 -0.04 3.15 3.03 3dh9A1 PHE 367 HB3 -0.83 0.11 0.10 -0.04 3.06 2.40 3dh9A1 PHE 367 HD2 0.01 0.04 -0.03 -0.04 7.28 7.25 3dh9A1 PHE 367 HE2 0.01 -0.04 -0.03 -0.04 7.38 7.28 3dh9A1 PHE 367 HZ -0.00 -0.01 -0.05 -0.04 7.32 7.21 3dh9A1 THR 368 H 0.03 0.17 -0.60 -0.55 8.28 7.33 3dh9A1 THR 368 HA 0.09 0.13 0.38 -0.75 4.39 4.24 3dh9A1 THR 368 HB 0.08 0.10 -0.01 -0.04 4.32 4.45 3dh9A1 THR 368 HG23 0.06 -0.03 -0.20 -0.04 1.22 1.00 3dh9A1 PRO 369 HA 0.28 0.07 0.26 -0.51 4.44 4.53 3dh9A1 PRO 369 HB2 0.11 -0.04 0.03 -0.04 2.28 2.34 3dh9A1 PRO 369 HB3 0.12 0.09 0.04 -0.04 2.02 2.23 3dh9A1 PRO 369 HG2 0.08 0.10 0.07 -0.04 2.03 2.24 3dh9A1 PRO 369 HG3 0.13 0.12 0.08 -0.04 2.03 2.32 3dh9A1 PRO 369 HD2 0.09 0.09 0.10 -0.04 3.68 3.92 3dh9A1 PRO 369 HD3 0.11 0.08 0.16 -0.04 3.65 3.95 3dh9A1 LEU 370 H 0.12 0.15 -0.19 -0.55 8.37 7.90 3dh9A1 LEU 370 HA 0.20 0.07 0.62 -0.75 4.35 4.48 3dh9A1 LEU 370 HB2 0.13 0.04 -0.02 -0.04 1.64 1.75 3dh9A1 LEU 370 HB3 0.10 -0.02 -0.01 -0.04 1.64 1.67 3dh9A1 LEU 370 HG 0.14 -0.04 -0.13 -0.04 1.64 1.56 3dh9A1 LEU 370 HD13 0.27 0.01 -0.07 -0.04 0.93 1.10 3dh9A1 LEU 370 HD23 0.15 0.02 -0.22 -0.04 0.89 0.80 3dh9A1 GLU 371 H 0.22 0.18 0.06 -0.55 8.60 8.51 3dh9A1 GLU 371 HA 0.10 0.08 0.45 -0.75 4.29 4.17 3dh9A1 GLU 371 HB2 0.21 -0.03 0.16 -0.04 2.09 2.39 3dh9A1 GLU 371 HB3 -0.00 -0.09 0.01 -0.04 1.99 1.87 3dh9A1 GLU 371 HG2 0.22 -0.04 0.02 -0.04 2.34 2.50 3dh9A1 GLU 371 HG3 0.36 0.27 -0.02 -0.04 2.34 2.91 3dh9A1 TYR 372 H 0.07 0.48 0.38 -0.55 8.29 8.66 3dh9A1 TYR 372 HA 0.12 0.44 1.13 -0.75 4.56 5.50 3dh9A1 TYR 372 HB2 0.03 0.09 -0.01 -0.04 3.06 3.13 3dh9A1 TYR 372 HB3 -0.04 -0.11 0.20 -0.04 2.98 2.99 3dh9A1 TYR 372 HD2 0.01 0.14 -0.08 -0.04 7.15 7.17 3dh9A1 TYR 372 HE2 0.25 -0.06 -0.08 -0.04 6.85 6.93 3dh9A1 ALA 373 H 0.22 0.59 0.31 -0.55 8.40 8.97 3dh9A1 ALA 373 HA -0.29 0.20 1.14 -0.75 4.34 4.64 3dh9A1 ALA 373 HB3 -0.06 -0.03 -0.12 -0.04 1.41 1.17 3dh9A1 CYS 374 H -0.22 0.61 0.41 -0.55 8.50 8.75 3dh9A1 CYS 374 HA -0.16 0.30 0.78 -0.75 4.58 4.73 3dh9A1 CYS 374 HB2 -0.49 0.10 0.09 -0.04 2.97 2.63 3dh9A1 CYS 374 HB3 -0.13 -0.06 0.04 -0.04 2.97 2.78 3dh9A1 VAL 375 H -0.23 0.62 0.35 -0.55 8.24 8.43 3dh9A1 VAL 375 HA -0.09 0.14 0.47 -0.75 4.13 3.90 3dh9A1 VAL 375 HB -0.08 -0.03 -0.05 -0.04 2.12 1.92 3dh9A1 VAL 375 HG13 -0.10 -0.00 -0.13 -0.04 0.97 0.70 3dh9A1 VAL 375 HG23 -0.04 0.01 -0.16 -0.04 0.95 0.72 3dh9A1 GLY 376 H -0.03 0.07 0.06 -0.55 8.43 7.98 3dh9A1 GLY 376 HA2 0.03 -0.03 0.42 -0.51 4.01 3.92 3dh9A1 GLY 376 HA3 0.04 0.30 0.74 -0.51 4.01 4.57 3dh9A1 LEU 377 H 0.14 0.62 0.18 -0.55 8.37 8.76 3dh9A1 LEU 377 HA 0.09 0.02 0.34 -0.75 4.35 4.05 3dh9A1 LEU 377 HB2 0.18 -0.01 -0.07 -0.04 1.64 1.71 3dh9A1 LEU 377 HB3 0.11 -0.05 0.01 -0.04 1.64 1.66 3dh9A1 LEU 377 HG 0.09 0.12 0.06 -0.04 1.64 1.88 3dh9A1 LEU 377 HD13 0.03 0.00 -0.09 -0.04 0.93 0.83 3dh9A1 LEU 377 HD23 0.02 -0.01 -0.06 -0.04 0.89 0.80 3dh9A1 SER 378 H 0.14 0.13 0.16 -0.55 8.46 8.34 3dh9A1 SER 378 HA 0.19 0.17 0.71 -0.75 4.49 4.81 3dh9A1 SER 378 HB2 0.07 -0.18 0.16 -0.04 3.95 3.97 3dh9A1 SER 378 HB3 0.17 0.11 0.12 -0.04 3.93 4.29 3dh9A1 GLU 379 H -0.08 0.11 0.10 -0.55 8.60 8.18 3dh9A1 GLU 379 HA 0.06 0.20 0.41 -0.75 4.29 4.20 3dh9A1 GLU 379 HB2 -0.04 0.09 0.07 -0.04 2.09 2.17 3dh9A1 GLU 379 HB3 -0.02 -0.12 0.11 -0.04 1.99 1.91 3dh9A1 GLU 379 HG2 0.01 -0.01 -0.21 -0.04 2.34 2.09 3dh9A1 GLU 379 HG3 0.01 0.06 -0.03 -0.04 2.34 2.34 3dh9A1 GLU 380 H 0.03 -0.00 -0.11 -0.55 8.60 7.97 3dh9A1 GLU 380 HA 0.03 0.14 0.28 -0.75 4.29 3.98 3dh9A1 GLU 380 HB2 0.02 0.11 -0.00 -0.04 2.09 2.18 3dh9A1 GLU 380 HB3 0.02 0.03 0.06 -0.04 1.99 2.05 3dh9A1 GLU 380 HG2 0.04 -0.09 -0.04 -0.04 2.34 2.21 3dh9A1 GLU 380 HG3 0.03 0.12 -0.04 -0.04 2.34 2.41 3dh9A1 ASP 381 H 0.05 -0.00 -0.33 -0.55 8.40 7.57 3dh9A1 ASP 381 HA 0.01 0.12 0.50 -0.75 4.63 4.50 3dh9A1 ASP 381 HB2 0.05 -0.06 0.10 -0.04 2.71 2.76 3dh9A1 ASP 381 HB3 0.01 0.10 -0.01 -0.04 2.70 2.76 3dh9A1 ALA 382 H 0.09 0.48 -0.22 -0.55 8.40 8.21 3dh9A1 ALA 382 HA 0.15 0.06 0.33 -0.75 4.34 4.13 3dh9A1 ALA 382 HB3 0.22 0.04 -0.02 -0.04 1.41 1.61 3dh9A1 VAL 383 H 0.08 0.32 -0.34 -0.55 8.24 7.74 3dh9A1 VAL 383 HA 0.10 0.07 0.15 -0.75 4.13 3.70 3dh9A1 VAL 383 HB 0.04 0.02 0.07 -0.04 2.12 2.21 3dh9A1 VAL 383 HG13 0.03 -0.03 -0.14 -0.04 0.97 0.79 3dh9A1 VAL 383 HG23 0.04 0.05 -0.06 -0.04 0.95 0.94 3dh9A1 LYS 384 H 0.02 0.54 -0.10 -0.55 8.42 8.33 3dh9A1 LYS 384 HA -0.00 0.02 0.46 -0.75 4.32 4.04 3dh9A1 LYS 384 HB2 -0.00 -0.05 0.10 -0.04 1.87 1.89 3dh9A1 LYS 384 HB3 -0.02 0.05 0.16 -0.04 1.79 1.94 3dh9A1 LYS 384 HG2 -0.04 0.06 -0.10 -0.04 1.46 1.34 3dh9A1 LYS 384 HG3 -0.01 -0.04 0.02 -0.04 1.46 1.38 3dh9A1 LYS 384 HD2 -0.03 -0.01 -0.04 -0.04 1.69 1.58 3dh9A1 LYS 384 HD3 -0.01 -0.08 -0.03 -0.04 1.68 1.52 3dh9A1 LYS 384 HE2 -0.06 0.15 -0.11 -0.04 2.99 2.93 3dh9A1 LYS 384 HE3 -0.06 0.01 -0.09 -0.04 2.99 2.81 3dh9A1 GLN 385 H -0.05 0.36 -0.38 -0.55 8.47 7.86 3dh9A1 GLN 385 HA -0.22 0.05 0.32 -0.75 4.36 3.75 3dh9A1 GLN 385 HB2 -0.24 0.02 0.07 -0.04 2.15 1.96 3dh9A1 GLN 385 HB3 -0.56 0.02 0.10 -0.04 2.02 1.54 3dh9A1 GLN 385 HG2 -0.97 0.03 -0.08 -0.04 2.40 1.34 3dh9A1 GLN 385 HG3 -0.37 -0.03 0.02 -0.04 2.39 1.98 3dh9A1 GLN 385 HE21 -0.22 -0.02 -0.02 -0.04 6.97 6.66 3dh9A1 GLN 385 HE22 -0.72 0.02 -0.04 -0.04 7.69 6.91 3dh9A1 PHE 386 H 0.10 0.44 -0.05 -0.55 8.34 8.27 3dh9A1 PHE 386 HA -0.00 0.19 0.70 -0.75 4.62 4.76 3dh9A1 PHE 386 HB2 0.04 0.08 -0.04 -0.04 3.15 3.19 3dh9A1 PHE 386 HB3 0.05 -0.05 0.04 -0.04 3.06 3.07 3dh9A1 PHE 386 HD2 -0.08 0.08 0.02 -0.04 7.28 7.26 3dh9A1 PHE 386 HE2 -0.42 -0.03 -0.03 -0.04 7.38 6.86 3dh9A1 PHE 386 HZ -0.36 -0.01 -0.03 -0.04 7.32 6.88 3dh9A1 GLY 387 H 0.10 0.36 -0.12 -0.55 8.43 8.22 3dh9A1 GLY 387 HA2 0.06 0.04 0.43 -0.51 4.01 4.02 3dh9A1 GLY 387 HA3 0.08 0.13 0.77 -0.51 4.01 4.49 3dh9A1 ALA 388 H 0.04 0.20 0.15 -0.55 8.40 8.24 3dh9A1 ALA 388 HA 0.04 0.02 0.39 -0.75 4.34 4.04 3dh9A1 ALA 388 HB3 0.02 0.02 0.08 -0.04 1.41 1.49 3dh9A1 ASP 389 H 0.05 0.05 -0.35 -0.55 8.40 7.60 3dh9A1 ASP 389 HA 0.02 0.17 0.40 -0.75 4.63 4.47 3dh9A1 ASP 389 HB2 0.05 0.04 0.11 -0.04 2.71 2.87 3dh9A1 ASP 389 HB3 0.03 -0.04 0.04 -0.04 2.70 2.70 3dh9A1 GLU 390 H 0.07 0.53 -0.35 -0.55 8.60 8.30 3dh9A1 GLU 390 HA 0.05 0.09 0.77 -0.75 4.29 4.45 3dh9A1 GLU 390 HB2 0.14 0.26 -0.00 -0.04 2.09 2.44 3dh9A1 GLU 390 HB3 0.10 -0.11 0.18 -0.04 1.99 2.11 3dh9A1 GLU 390 HG2 0.10 -0.08 -0.25 -0.04 2.34 2.08 3dh9A1 GLU 390 HG3 0.12 0.10 0.04 -0.04 2.34 2.56 3dh9A1 ILE 391 H 0.01 0.36 -0.20 -0.55 8.25 7.87 3dh9A1 ILE 391 HA 0.00 0.23 0.99 -0.75 4.18 4.65 3dh9A1 ILE 391 HB 0.04 0.07 0.03 -0.04 1.89 1.98 3dh9A1 ILE 391 HG12 0.14 0.03 -0.48 -0.04 1.49 1.14 3dh9A1 ILE 391 HG13 0.16 -0.12 -0.44 -0.04 1.21 0.76 3dh9A1 ILE 391 HG23 0.06 -0.04 -0.21 -0.04 0.93 0.71 3dh9A1 ILE 391 HD13 0.28 0.02 -0.18 -0.04 0.88 0.95 3dh9A1 GLU 392 H -0.07 0.83 0.23 -0.55 8.60 9.05 3dh9A1 GLU 392 HA -0.18 0.10 0.87 -0.75 4.29 4.32 3dh9A1 GLU 392 HB2 -0.18 0.03 -0.12 -0.04 2.09 1.78 3dh9A1 GLU 392 HB3 -0.09 0.04 -0.06 -0.04 1.99 1.84 3dh9A1 GLU 392 HG2 -0.82 0.06 -0.08 -0.04 2.34 1.46 3dh9A1 GLU 392 HG3 -0.75 -0.10 -0.07 -0.04 2.34 1.38 3dh9A1 VAL 393 H -0.23 0.10 0.16 -0.55 8.24 7.71 3dh9A1 VAL 393 HA -0.02 0.43 1.22 -0.75 4.13 5.01 3dh9A1 VAL 393 HB -0.16 -0.12 0.18 -0.04 2.12 1.98 3dh9A1 VAL 393 HG13 -0.05 0.01 -0.22 -0.04 0.97 0.67 3dh9A1 VAL 393 HG23 -0.03 -0.01 -0.13 -0.04 0.95 0.74 3dh9A1 PHE 394 H 0.28 0.53 0.22 -0.55 8.34 8.82 3dh9A1 PHE 394 HA 0.05 0.29 0.81 -0.75 4.62 5.02 3dh9A1 PHE 394 HB2 0.01 -0.07 0.10 -0.04 3.15 3.14 3dh9A1 PHE 394 HB3 0.01 0.01 -0.15 -0.04 3.06 2.89 3dh9A1 PHE 394 HD2 -0.01 0.06 -0.21 -0.04 7.28 7.08 3dh9A1 PHE 394 HE2 -0.04 0.04 -0.11 -0.04 7.38 7.23 3dh9A1 PHE 394 HZ -0.05 0.04 -0.07 -0.04 7.32 7.20 3dh9A1 HIS 395 H 0.32 0.79 0.38 -0.55 8.41 9.36 3dh9A1 HIS 395 HA -0.17 0.20 0.99 -0.75 4.63 4.90 3dh9A1 HIS 395 HB2 -0.31 0.03 0.14 -0.04 3.26 3.08 3dh9A1 HIS 395 HB3 -0.05 -0.10 -0.26 -0.04 3.20 2.75 3dh9A1 HIS 395 HD2 0.02 0.25 -0.10 -0.04 6.97 7.10 3dh9A1 HIS 395 HE1 0.11 -0.01 -0.07 -0.04 7.75 7.75 3dh9A1 GLY 396 H -0.42 0.52 0.40 -0.55 8.43 8.37 3dh9A1 GLY 396 HA2 -0.16 0.04 0.30 -0.51 4.01 3.69 3dh9A1 GLY 396 HA3 -0.08 0.12 0.72 -0.51 4.01 4.26 3dh9A1 TYR 397 H 0.22 0.45 0.23 -0.55 8.29 8.64 3dh9A1 TYR 397 HA 0.06 0.28 1.05 -0.75 4.56 5.20 3dh9A1 TYR 397 HB2 -0.03 -0.06 0.10 -0.04 3.06 3.04 3dh9A1 TYR 397 HB3 -0.09 0.10 0.10 -0.04 2.98 3.05 3dh9A1 TYR 397 HD2 -0.05 0.06 -0.21 -0.04 7.15 6.90 3dh9A1 TYR 397 HE2 -0.13 0.03 -0.07 -0.04 6.85 6.64 3dh9A1 TYR 398 H -0.30 0.61 0.35 -0.55 8.29 8.40 3dh9A1 TYR 398 HA 0.01 0.14 0.77 -0.75 4.56 4.72 3dh9A1 TYR 398 HB2 -0.04 -0.07 0.05 -0.04 3.06 2.96 3dh9A1 TYR 398 HB3 -0.07 0.08 -0.24 -0.04 2.98 2.71 3dh9A1 TYR 398 HD2 -0.14 0.00 -0.31 -0.04 7.15 6.66 3dh9A1 TYR 398 HE2 -0.29 -0.05 -0.23 -0.04 6.85 6.24 3dh9A1 LYS 399 H 0.13 0.22 0.09 -0.55 8.42 8.30 3dh9A1 LYS 399 HA -0.34 0.23 0.95 -0.75 4.32 4.41 3dh9A1 LYS 399 HB2 -0.00 -0.03 0.05 -0.04 1.87 1.84 3dh9A1 LYS 399 HB3 -0.52 0.06 -0.01 -0.04 1.79 1.29 3dh9A1 LYS 399 HG2 -0.08 0.08 -0.55 -0.04 1.46 0.87 3dh9A1 LYS 399 HG3 0.08 -0.02 -0.10 -0.04 1.46 1.39 3dh9A1 LYS 399 HD2 0.09 0.01 -0.06 -0.04 1.69 1.69 3dh9A1 LYS 399 HD3 -0.07 0.02 -0.07 -0.04 1.68 1.51 3dh9A1 LYS 399 HE2 0.07 -0.02 -0.12 -0.04 2.99 2.88 3dh9A1 LYS 399 HE3 0.17 0.00 -0.06 -0.04 2.99 3.06 3dh9A1 PRO 400 HA 0.01 0.03 0.49 -0.51 4.44 4.46 3dh9A1 PRO 400 HB2 -0.59 -0.06 0.01 -0.04 2.28 1.60 3dh9A1 PRO 400 HB3 -0.22 -0.00 0.08 -0.04 2.02 1.83 3dh9A1 PRO 400 HG2 -1.93 0.09 0.06 -0.04 2.03 0.21 3dh9A1 PRO 400 HG3 -0.30 0.04 0.05 -0.04 2.03 1.78 3dh9A1 PRO 400 HD2 -0.76 0.14 0.17 -0.04 3.68 3.19 3dh9A1 PRO 400 HD3 -0.66 0.27 0.07 -0.04 3.65 3.28 3dh9A1 THR 401 H 0.10 0.15 0.12 -0.55 8.28 8.10 3dh9A1 THR 401 HA 0.44 0.14 0.41 -0.75 4.39 4.63 3dh9A1 THR 401 HB 0.12 -0.02 0.06 -0.04 4.32 4.44 3dh9A1 THR 401 HG23 0.15 0.03 -0.03 -0.04 1.22 1.33 3dh9A1 GLU 402 H 0.17 -0.00 -0.28 -0.55 8.60 7.94 3dh9A1 GLU 402 HA 0.30 0.12 0.26 -0.75 4.29 4.22 3dh9A1 GLU 402 HB2 0.29 -0.06 0.02 -0.04 2.09 2.29 3dh9A1 GLU 402 HB3 0.26 0.08 0.05 -0.04 1.99 2.34 3dh9A1 GLU 402 HG2 0.13 0.02 0.01 -0.04 2.34 2.46 3dh9A1 GLU 402 HG3 0.15 0.07 -0.00 -0.04 2.34 2.51 3dh9A1 PHE 403 H 0.23 0.36 -0.62 -0.55 8.34 7.76 3dh9A1 PHE 403 HA 0.02 0.13 0.46 -0.75 4.62 4.48 3dh9A1 PHE 403 HB2 -0.25 0.12 0.02 -0.04 3.15 2.99 3dh9A1 PHE 403 HB3 -0.16 0.15 -0.06 -0.04 3.06 2.95 3dh9A1 PHE 403 HD2 -0.03 -0.03 -0.34 -0.04 7.28 6.84 3dh9A1 PHE 403 HE2 0.02 0.01 -0.04 -0.04 7.38 7.33 3dh9A1 PHE 403 HZ 0.05 -0.04 -0.02 -0.04 7.32 7.27 3dh9A1 PHE 404 H 0.13 0.28 -0.11 -0.55 8.34 8.09 3dh9A1 PHE 404 HA 0.07 0.07 0.45 -0.75 4.62 4.46 3dh9A1 PHE 404 HB2 0.06 0.05 0.14 -0.04 3.15 3.35 3dh9A1 PHE 404 HB3 0.03 0.01 -0.05 -0.04 3.06 3.01 3dh9A1 PHE 404 HD2 0.06 0.08 0.07 -0.04 7.28 7.44 3dh9A1 PHE 404 HE2 0.05 -0.02 -0.09 -0.04 7.38 7.27 3dh9A1 PHE 404 HZ 0.04 -0.02 -0.05 -0.04 7.32 7.25 3dh9A1 ILE 405 H 0.13 0.13 -0.07 -0.55 8.25 7.90 3dh9A1 ILE 405 HA -0.04 0.09 0.47 -0.75 4.18 3.95 3dh9A1 ILE 405 HB -0.66 0.00 0.04 -0.04 1.89 1.23 3dh9A1 ILE 405 HG12 -0.12 0.02 0.02 -0.04 1.49 1.37 3dh9A1 ILE 405 HG13 -0.04 -0.08 0.02 -0.04 1.21 1.07 3dh9A1 ILE 405 HG23 -0.55 -0.00 -0.22 -0.04 0.93 0.11 3dh9A1 ILE 405 HD13 -0.13 0.00 0.00 -0.04 0.88 0.71 3dh9A1 PRO 406 HA 0.01 0.16 0.79 -0.51 4.44 4.89 3dh9A1 PRO 406 HB2 0.02 0.00 0.02 -0.04 2.28 2.29 3dh9A1 PRO 406 HB3 0.14 0.03 0.14 -0.04 2.02 2.29 3dh9A1 PRO 406 HG2 0.02 -0.03 -0.02 -0.04 2.03 1.96 3dh9A1 PRO 406 HG3 0.22 0.02 0.06 -0.04 2.03 2.29 3dh9A1 PRO 406 HD2 0.13 -0.10 -0.33 -0.04 3.68 3.34 3dh9A1 PRO 406 HD3 0.10 0.07 0.02 -0.04 3.65 3.80 3dh9A1 GLN 407 H 0.04 0.18 -0.71 -0.55 8.47 7.43 3dh9A1 GLN 407 HA 0.03 0.03 0.33 -0.75 4.36 4.00 3dh9A1 GLN 407 HB2 0.00 0.14 -0.22 -0.04 2.15 2.03 3dh9A1 GLN 407 HB3 0.01 -0.12 0.15 -0.04 2.02 2.02 3dh9A1 GLN 407 HG2 0.05 -0.01 0.05 -0.04 2.40 2.44 3dh9A1 GLN 407 HG3 0.02 0.14 -0.14 -0.04 2.39 2.36 3dh9A1 GLN 407 HE21 0.01 -0.06 0.00 -0.04 6.97 6.88 3dh9A1 GLN 407 HE22 0.01 -0.02 0.01 -0.04 7.69 7.65 3dh9A1 LYS 408 H -0.05 0.53 0.05 -0.55 8.42 8.40 3dh9A1 LYS 408 HA -0.12 0.08 0.45 -0.75 4.32 3.98 3dh9A1 LYS 408 HB2 -0.63 -0.09 0.08 -0.04 1.87 1.19 3dh9A1 LYS 408 HB3 -0.65 -0.02 0.00 -0.04 1.79 1.09 3dh9A1 LYS 408 HG2 -0.22 0.03 -0.06 -0.04 1.46 1.18 3dh9A1 LYS 408 HG3 -0.16 0.04 -0.23 -0.04 1.46 1.08 3dh9A1 LYS 408 HD2 -0.19 0.02 -0.05 -0.04 1.69 1.43 3dh9A1 LYS 408 HD3 -0.49 -0.03 -0.06 -0.04 1.68 1.06 3dh9A1 LYS 408 HE2 -1.49 -0.02 -0.05 -0.04 2.99 1.39 3dh9A1 LYS 408 HE3 -0.38 0.04 -0.04 -0.04 2.99 2.57 3dh9A1 SER 409 H -0.04 0.13 0.17 -0.55 8.46 8.18 3dh9A1 SER 409 HA -0.00 0.08 0.39 -0.75 4.49 4.20 3dh9A1 SER 409 HB2 0.01 0.12 0.13 -0.04 3.95 4.17 3dh9A1 SER 409 HB3 0.05 0.03 0.15 -0.04 3.93 4.12 3dh9A1 VAL 410 H -0.03 0.19 0.17 -0.55 8.24 8.03 3dh9A1 VAL 410 HA 0.02 0.18 0.91 -0.75 4.13 4.48 3dh9A1 VAL 410 HB -0.20 0.18 0.31 -0.04 2.12 2.37 3dh9A1 VAL 410 HG13 -0.14 0.03 0.01 -0.04 0.97 0.83 3dh9A1 VAL 410 HG23 -0.10 -0.00 -0.05 -0.04 0.95 0.76 3dh9A1 ARG 411 H -0.08 0.11 -0.21 -0.55 8.46 7.72 3dh9A1 ARG 411 HA -0.33 0.10 0.23 -0.75 4.34 3.59 3dh9A1 ARG 411 HB2 -0.26 0.00 0.08 -0.04 1.90 1.68 3dh9A1 ARG 411 HB3 -0.58 0.02 -0.02 -0.04 1.80 1.17 3dh9A1 ARG 411 HG2 -0.97 0.01 -0.02 -0.04 1.67 0.65 3dh9A1 ARG 411 HG3 -0.44 0.01 0.05 -0.04 1.67 1.25 3dh9A1 ARG 411 HD2 -0.45 0.01 -0.07 -0.04 3.22 2.68 3dh9A1 ARG 411 HD3 -0.42 -0.02 -0.05 -0.04 3.22 2.70 3dh9A1 TYR 412 H 0.01 0.06 -0.43 -0.55 8.29 7.38 3dh9A1 TYR 412 HA 0.10 0.21 0.73 -0.75 4.56 4.84 3dh9A1 TYR 412 HB2 0.02 0.01 -0.03 -0.04 3.06 3.01 3dh9A1 TYR 412 HB3 0.00 -0.01 0.08 -0.04 2.98 3.01 3dh9A1 TYR 412 HD2 -0.01 -0.01 -0.04 -0.04 7.15 7.04 3dh9A1 TYR 412 HE2 -0.04 0.01 -0.08 -0.04 6.85 6.70 3dh9A1 CYS 413 H -0.05 0.30 -0.32 -0.55 8.50 7.88 3dh9A1 CYS 413 HA -0.23 0.20 0.68 -0.75 4.58 4.47 3dh9A1 CYS 413 HB2 -0.54 0.25 0.36 -0.04 2.97 3.01 3dh9A1 CYS 413 HB3 -1.77 -0.07 0.12 -0.04 2.97 1.21 3dh9A1 TYR 414 H 0.01 0.36 0.31 -0.55 8.29 8.42 3dh9A1 TYR 414 HA -0.31 0.29 0.99 -0.75 4.56 4.79 3dh9A1 TYR 414 HB2 -0.52 0.03 -0.27 -0.04 3.06 2.26 3dh9A1 TYR 414 HB3 -0.17 -0.06 0.02 -0.04 2.98 2.72 3dh9A1 TYR 414 HD2 -0.85 -0.02 -0.26 -0.04 7.15 5.99 3dh9A1 TYR 414 HE2 -0.15 -0.09 -0.16 -0.04 6.85 6.42 3dh9A1 LEU 415 H -0.54 0.65 0.39 -0.55 8.37 8.33 3dh9A1 LEU 415 HA -0.21 0.15 0.80 -0.75 4.35 4.33 3dh9A1 LEU 415 HB2 -0.57 0.09 0.22 -0.04 1.64 1.33 3dh9A1 LEU 415 HB3 -0.40 -0.05 -0.03 -0.04 1.64 1.12 3dh9A1 LEU 415 HG -0.51 0.01 -0.31 -0.04 1.64 0.79 3dh9A1 LEU 415 HD13 -1.32 -0.01 -0.37 -0.04 0.93 -0.80 3dh9A1 LEU 415 HD23 -0.30 0.04 -0.10 -0.04 0.89 0.49 3dh9A1 LYS 416 H 0.01 0.52 0.39 -0.55 8.42 8.78 3dh9A1 LYS 416 HA -0.05 0.32 0.85 -0.75 4.32 4.69 3dh9A1 LYS 416 HB2 0.01 0.09 0.05 -0.04 1.87 1.98 3dh9A1 LYS 416 HB3 -0.26 -0.01 -0.25 -0.04 1.79 1.23 3dh9A1 LYS 416 HG2 0.07 -0.06 -0.04 -0.04 1.46 1.39 3dh9A1 LYS 416 HG3 0.13 -0.00 -0.23 -0.04 1.46 1.31 3dh9A1 LYS 416 HD2 0.00 0.02 -0.13 -0.04 1.69 1.54 3dh9A1 LYS 416 HD3 0.08 0.05 -0.12 -0.04 1.68 1.65 3dh9A1 LYS 416 HE2 -0.11 0.01 -0.09 -0.04 2.99 2.76 3dh9A1 LYS 416 HE3 -0.35 -0.05 -0.07 -0.04 2.99 2.48 3dh9A1 ALA 417 H 0.15 0.64 0.33 -0.55 8.40 8.97 3dh9A1 ALA 417 HA 0.16 0.21 1.04 -0.75 4.34 5.00 3dh9A1 ALA 417 HB3 0.10 0.00 0.10 -0.04 1.41 1.57 3dh9A1 VAL 418 H 0.17 0.68 0.27 -0.55 8.24 8.81 3dh9A1 VAL 418 HA 0.10 0.21 0.99 -0.75 4.13 4.67 3dh9A1 VAL 418 HB 0.21 -0.02 0.14 -0.04 2.12 2.41 3dh9A1 VAL 418 HG13 0.19 0.00 -0.15 -0.04 0.97 0.97 3dh9A1 VAL 418 HG23 0.14 -0.02 -0.17 -0.04 0.95 0.85 3dh9A1 ALA 419 H 0.03 0.71 0.39 -0.55 8.40 8.98 3dh9A1 ALA 419 HA -0.40 0.04 1.15 -0.75 4.34 4.37 3dh9A1 ALA 419 HB3 -0.01 0.02 -0.21 -0.04 1.41 1.16 3dh9A1 GLU 420 H -0.79 0.81 0.22 -0.55 8.60 8.29 3dh9A1 GLU 420 HA -0.24 0.17 0.68 -0.75 4.29 4.14 3dh9A1 GLU 420 HB2 -0.55 0.03 0.17 -0.04 2.09 1.71 3dh9A1 GLU 420 HB3 -0.31 -0.17 0.20 -0.04 1.99 1.66 3dh9A1 GLU 420 HG2 -0.09 0.02 -0.10 -0.04 2.34 2.13 3dh9A1 GLU 420 HG3 -0.08 0.05 0.10 -0.04 2.34 2.36 3dh9A1 ARG 421 H -0.12 0.54 0.15 -0.55 8.46 8.47 3dh9A1 ARG 421 HA -0.18 0.05 0.25 -0.75 4.34 3.71 3dh9A1 ARG 421 HB2 -0.17 -0.04 -0.66 -0.04 1.90 0.98 3dh9A1 ARG 421 HB3 -0.27 -0.03 -0.14 -0.04 1.80 1.32 3dh9A1 ARG 421 HG2 -1.17 -0.03 -0.28 -0.04 1.67 0.15 3dh9A1 ARG 421 HG3 -0.32 -0.05 -0.10 -0.04 1.67 1.16 3dh9A1 ARG 421 HD2 -0.13 0.07 -0.18 -0.04 3.22 2.94 3dh9A1 ARG 421 HD3 -0.12 0.30 0.00 -0.04 3.22 3.36 3dh9A1 HIS 422 H -0.08 0.01 -0.06 -0.55 8.41 7.74 3dh9A1 HIS 422 HA -0.00 0.29 0.81 -0.75 4.63 4.98 3dh9A1 HIS 422 HB2 0.00 -0.01 0.06 -0.04 3.26 3.27 3dh9A1 HIS 422 HB3 0.00 -0.08 0.20 -0.04 3.20 3.27 3dh9A1 HIS 422 HD2 0.01 -0.01 0.01 -0.04 6.97 6.94 3dh9A1 HIS 422 HE1 0.00 0.01 -0.04 -0.04 7.75 7.68 3dh9A1 GLY 423 H 0.13 0.14 0.12 -0.55 8.43 8.27 3dh9A1 GLY 423 HA2 0.04 0.08 0.34 -0.51 4.01 3.96 3dh9A1 GLY 423 HA3 0.04 -0.01 0.47 -0.51 4.01 4.00 3dh9A1 ASP 424 H 0.00 0.11 0.21 -0.55 8.40 8.17 3dh9A1 ASP 424 HA -0.01 0.13 0.45 -0.75 4.63 4.45 3dh9A1 ASP 424 HB2 -0.01 -0.04 0.11 -0.04 2.71 2.73 3dh9A1 ASP 424 HB3 -0.02 0.05 0.11 -0.04 2.70 2.80 3dh9A1 GLN 425 H -0.03 0.53 -0.47 -0.55 8.47 7.95 3dh9A1 GLN 425 HA -0.11 0.27 0.18 -0.75 4.36 3.95 3dh9A1 GLN 425 HB2 -0.04 -0.16 0.13 -0.04 2.15 2.04 3dh9A1 GLN 425 HB3 -0.02 0.04 0.12 -0.04 2.02 2.11 3dh9A1 GLN 425 HG2 -0.01 0.23 -0.24 -0.04 2.40 2.34 3dh9A1 GLN 425 HG3 -0.00 0.08 -0.43 -0.04 2.39 2.00 3dh9A1 GLN 425 HE21 0.04 -0.02 -0.05 -0.04 6.97 6.90 3dh9A1 GLN 425 HE22 0.10 0.04 -0.02 -0.04 7.69 7.76 3dh9A1 ARG 426 H -0.13 -0.02 -0.23 -0.55 8.46 7.53 3dh9A1 ARG 426 HA -0.11 0.19 0.63 -0.75 4.34 4.30 3dh9A1 ARG 426 HB2 -0.06 -0.04 0.08 -0.04 1.90 1.84 3dh9A1 ARG 426 HB3 -0.26 -0.12 0.08 -0.04 1.80 1.46 3dh9A1 ARG 426 HG2 0.10 -0.06 -0.05 -0.04 1.67 1.61 3dh9A1 ARG 426 HG3 -0.03 0.11 -0.34 -0.04 1.67 1.37 3dh9A1 ARG 426 HD2 -0.02 0.27 -0.01 -0.04 3.22 3.42 3dh9A1 ARG 426 HD3 -0.01 -0.05 0.00 -0.04 3.22 3.11 3dh9A1 VAL 427 H -0.11 0.59 0.32 -0.55 8.24 8.50 3dh9A1 VAL 427 HA -0.18 0.04 0.71 -0.75 4.13 3.95 3dh9A1 VAL 427 HB -0.05 0.10 0.02 -0.04 2.12 2.15 3dh9A1 VAL 427 HG13 -0.04 -0.02 -0.22 -0.04 0.97 0.66 3dh9A1 VAL 427 HG23 -0.09 -0.02 -0.22 -0.04 0.95 0.58 3dh9A1 TYR 428 H -0.05 0.72 0.52 -0.55 8.29 8.93 3dh9A1 TYR 428 HA 0.03 0.15 0.72 -0.75 4.56 4.70 3dh9A1 TYR 428 HB2 0.06 0.05 -0.04 -0.04 3.06 3.09 3dh9A1 TYR 428 HB3 0.10 -0.14 0.03 -0.04 2.98 2.93 3dh9A1 TYR 428 HD2 -0.02 0.02 -0.21 -0.04 7.15 6.90 3dh9A1 TYR 428 HE2 -0.37 0.04 -0.09 -0.04 6.85 6.38 3dh9A1 GLY 429 H 0.12 0.42 0.26 -0.55 8.43 8.69 3dh9A1 GLY 429 HA2 0.05 0.22 0.87 -0.51 4.01 4.65 3dh9A1 GLY 429 HA3 0.21 0.21 0.32 -0.51 4.01 4.24 3dh9A1 LEU 430 H -0.14 0.69 0.38 -0.55 8.37 8.75 3dh9A1 LEU 430 HA 0.14 0.28 1.03 -0.75 4.35 5.06 3dh9A1 LEU 430 HB2 -0.25 -0.08 0.05 -0.04 1.64 1.31 3dh9A1 LEU 430 HB3 -0.45 0.03 0.03 -0.04 1.64 1.21 3dh9A1 LEU 430 HG -0.14 -0.07 -0.36 -0.04 1.64 1.04 3dh9A1 LEU 430 HD13 -0.51 0.00 -0.11 -0.04 0.93 0.27 3dh9A1 LEU 430 HD23 -0.17 0.03 0.08 -0.04 0.89 0.80 3dh9A1 HIS 431 H 0.41 0.58 0.37 -0.55 8.41 9.21 3dh9A1 HIS 431 HA 0.32 0.21 1.03 -0.75 4.63 5.44 3dh9A1 HIS 431 HB2 0.19 -0.02 0.08 -0.04 3.26 3.48 3dh9A1 HIS 431 HB3 0.41 -0.02 -0.02 -0.04 3.20 3.53 3dh9A1 HIS 431 HD2 0.14 0.09 -0.37 -0.04 6.97 6.79 3dh9A1 HIS 431 HE1 0.19 -0.12 -0.10 -0.04 7.75 7.68 3dh9A1 TYR 432 H 0.51 0.57 0.37 -0.55 8.29 9.20 3dh9A1 TYR 432 HA 0.06 0.24 1.11 -0.75 4.56 5.21 3dh9A1 TYR 432 HB2 0.04 0.03 -0.21 -0.04 3.06 2.88 3dh9A1 TYR 432 HB3 0.22 -0.04 0.05 -0.04 2.98 3.16 3dh9A1 TYR 432 HD2 -0.22 -0.08 -0.22 -0.04 7.15 6.59 3dh9A1 TYR 432 HE2 -0.14 0.01 -0.43 -0.04 6.85 6.25 3dh9A1 ILE 433 H -0.06 0.77 0.40 -0.55 8.25 8.81 3dh9A1 ILE 433 HA 0.17 0.29 1.20 -0.75 4.18 5.08 3dh9A1 ILE 433 HB 0.04 0.09 0.31 -0.04 1.89 2.28 3dh9A1 ILE 433 HG12 0.02 -0.05 -0.06 -0.04 1.49 1.36 3dh9A1 ILE 433 HG13 0.07 -0.13 -0.15 -0.04 1.21 0.96 3dh9A1 ILE 433 HG23 0.08 -0.01 -0.18 -0.04 0.93 0.77 3dh9A1 ILE 433 HD13 -0.05 0.00 -0.05 -0.04 0.88 0.73 3dh9A1 GLY 434 H 0.12 0.66 0.25 -0.55 8.43 8.91 3dh9A1 GLY 434 HA2 0.04 0.04 0.25 -0.51 4.01 3.83 3dh9A1 GLY 434 HA3 -0.13 0.16 0.65 -0.51 4.01 4.17 3dh9A1 PRO 435 HA 0.26 0.04 0.61 -0.51 4.44 4.84 3dh9A1 PRO 435 HB2 0.20 0.01 -0.00 -0.04 2.28 2.44 3dh9A1 PRO 435 HB3 0.27 0.11 0.12 -0.04 2.02 2.48 3dh9A1 PRO 435 HG2 0.12 -0.04 0.08 -0.04 2.03 2.15 3dh9A1 PRO 435 HG3 0.04 0.08 0.07 -0.04 2.03 2.19 3dh9A1 PRO 435 HD2 0.11 0.13 0.20 -0.04 3.68 4.07 3dh9A1 PRO 435 HD3 0.03 0.19 0.16 -0.04 3.65 3.98 3dh9A1 VAL 436 H 0.23 0.20 0.20 -0.55 8.24 8.32 3dh9A1 VAL 436 HA 0.20 0.00 0.35 -0.75 4.13 3.92 3dh9A1 VAL 436 HB 0.10 -0.09 0.12 -0.04 2.12 2.21 3dh9A1 VAL 436 HG13 0.12 0.03 0.03 -0.04 0.97 1.11 3dh9A1 VAL 436 HG23 0.11 0.01 -0.25 -0.04 0.95 0.77 3dh9A1 ALA 437 H 0.21 0.18 -0.09 -0.55 8.40 8.16 3dh9A1 ALA 437 HA 0.01 0.17 0.12 -0.75 4.34 3.89 3dh9A1 ALA 437 HB3 0.19 0.05 -0.14 -0.04 1.41 1.47 3dh9A1 GLY 438 H 0.02 0.09 -0.18 -0.55 8.43 7.81 3dh9A1 GLY 438 HA2 -0.05 0.08 0.34 -0.51 4.01 3.88 3dh9A1 GLY 438 HA3 0.02 0.06 0.16 -0.51 4.01 3.74 3dh9A1 GLU 439 H 0.07 0.06 -0.27 -0.55 8.60 7.92 3dh9A1 GLU 439 HA 0.01 0.06 0.48 -0.75 4.29 4.09 3dh9A1 GLU 439 HB2 0.03 0.14 0.07 -0.04 2.09 2.29 3dh9A1 GLU 439 HB3 0.02 0.03 0.01 -0.04 1.99 2.01 3dh9A1 GLU 439 HG2 0.09 -0.12 0.02 -0.04 2.34 2.29 3dh9A1 GLU 439 HG3 0.05 0.06 0.01 -0.04 2.34 2.42 3dh9A1 VAL 440 H -0.06 0.49 -0.21 -0.55 8.24 7.91 3dh9A1 VAL 440 HA -0.01 0.02 0.39 -0.75 4.13 3.77 3dh9A1 VAL 440 HB -0.46 0.13 0.09 -0.04 2.12 1.84 3dh9A1 VAL 440 HG13 -0.09 -0.02 -0.18 -0.04 0.97 0.65 3dh9A1 VAL 440 HG23 -0.18 0.02 -0.05 -0.04 0.95 0.71 3dh9A1 ILE 441 H -0.06 0.61 -0.02 -0.55 8.25 8.22 3dh9A1 ILE 441 HA 0.06 0.06 0.26 -0.75 4.18 3.81 3dh9A1 ILE 441 HB -0.05 0.03 0.01 -0.04 1.89 1.84 3dh9A1 ILE 441 HG12 -0.02 0.08 -0.07 -0.04 1.49 1.44 3dh9A1 ILE 441 HG13 -0.00 -0.09 -0.36 -0.04 1.21 0.71 3dh9A1 ILE 441 HG23 -0.07 -0.01 -0.28 -0.04 0.93 0.52 3dh9A1 ILE 441 HD13 -0.07 -0.01 -0.22 -0.04 0.88 0.54 3dh9A1 GLN 442 H -0.03 0.48 -0.30 -0.55 8.47 8.08 3dh9A1 GLN 442 HA -0.04 -0.03 0.27 -0.75 4.36 3.81 3dh9A1 GLN 442 HB2 -0.02 0.06 0.10 -0.04 2.15 2.25 3dh9A1 GLN 442 HB3 -0.04 0.08 0.09 -0.04 2.02 2.10 3dh9A1 GLN 442 HG2 -0.03 0.02 -0.06 -0.04 2.40 2.29 3dh9A1 GLN 442 HG3 -0.05 -0.00 -0.33 -0.04 2.39 1.96 3dh9A1 GLN 442 HE21 -0.03 -0.01 0.02 -0.04 6.97 6.90 3dh9A1 GLN 442 HE22 -0.04 -0.05 0.11 -0.04 7.69 7.67 3dh9A1 GLY 443 H -0.12 0.30 -0.17 -0.55 8.43 7.90 3dh9A1 GLY 443 HA2 -0.14 0.06 0.43 -0.51 4.01 3.85 3dh9A1 GLY 443 HA3 -0.25 0.11 0.27 -0.51 4.01 3.62 3dh9A1 PHE 444 H -0.11 0.25 -0.28 -0.55 8.34 7.65 3dh9A1 PHE 444 HA -0.16 0.07 0.57 -0.75 4.62 4.35 3dh9A1 PHE 444 HB2 -0.31 0.09 0.09 -0.04 3.15 2.99 3dh9A1 PHE 444 HB3 -0.35 -0.04 -0.04 -0.04 3.06 2.59 3dh9A1 PHE 444 HD2 -0.24 0.08 -0.03 -0.04 7.28 7.05 3dh9A1 PHE 444 HE2 -0.04 0.02 -0.05 -0.04 7.38 7.27 3dh9A1 PHE 444 HZ 0.02 0.04 -0.07 -0.04 7.32 7.26 3dh9A1 ALA 445 H -0.02 0.56 -0.09 -0.55 8.40 8.31 3dh9A1 ALA 445 HA -0.03 0.02 0.59 -0.75 4.34 4.17 3dh9A1 ALA 445 HB3 -0.04 0.05 0.09 -0.04 1.41 1.47 3dh9A1 ALA 446 H -0.06 0.36 -0.21 -0.55 8.40 7.94 3dh9A1 ALA 446 HA -0.04 0.05 0.47 -0.75 4.34 4.06 3dh9A1 ALA 446 HB3 -0.07 0.04 0.12 -0.04 1.41 1.46 3dh9A1 ALA 447 H -0.07 0.34 -0.25 -0.55 8.40 7.88 3dh9A1 ALA 447 HA -0.04 0.05 0.36 -0.75 4.34 3.95 3dh9A1 ALA 447 HB3 -0.02 0.04 0.08 -0.04 1.41 1.46 3dh9A1 LEU 448 H -0.01 0.46 -0.24 -0.55 8.37 8.03 3dh9A1 LEU 448 HA -0.00 0.02 0.45 -0.75 4.35 4.06 3dh9A1 LEU 448 HB2 -0.01 0.06 0.09 -0.04 1.64 1.73 3dh9A1 LEU 448 HB3 -0.01 0.10 0.13 -0.04 1.64 1.82 3dh9A1 LEU 448 HG 0.02 -0.03 -0.09 -0.04 1.64 1.50 3dh9A1 LEU 448 HD13 0.03 -0.02 -0.00 -0.04 0.93 0.89 3dh9A1 LEU 448 HD23 -0.00 -0.03 -0.25 -0.04 0.89 0.56 3dh9A1 LYS 449 H -0.02 0.44 -0.24 -0.55 8.42 8.05 3dh9A1 LYS 449 HA -0.00 0.04 0.59 -0.75 4.32 4.19 3dh9A1 LYS 449 HB2 -0.02 0.12 0.18 -0.04 1.87 2.10 3dh9A1 LYS 449 HB3 -0.02 -0.03 0.02 -0.04 1.79 1.72 3dh9A1 LYS 449 HG2 -0.01 -0.04 0.04 -0.04 1.46 1.41 3dh9A1 LYS 449 HG3 -0.02 0.06 0.05 -0.04 1.46 1.51 3dh9A1 LYS 449 HD2 -0.03 -0.04 0.01 -0.04 1.69 1.60 3dh9A1 LYS 449 HD3 -0.02 -0.01 0.03 -0.04 1.68 1.64 3dh9A1 LYS 449 HE2 -0.01 -0.04 0.01 -0.04 2.99 2.90 3dh9A1 LYS 449 HE3 -0.02 0.10 -0.02 -0.04 2.99 3.01 3dh9A1 SER 450 H -0.02 0.29 -0.35 -0.55 8.46 7.84 3dh9A1 SER 450 HA -0.01 0.12 0.74 -0.75 4.49 4.59 3dh9A1 SER 450 HB2 -0.02 0.01 0.05 -0.04 3.95 3.94 3dh9A1 SER 450 HB3 -0.02 -0.06 0.16 -0.04 3.93 3.97 3dh9A1 GLY 451 H -0.00 0.33 -0.60 -0.55 8.43 7.61 3dh9A1 GLY 451 HA2 0.01 0.04 0.27 -0.51 4.01 3.82 3dh9A1 GLY 451 HA3 -0.00 0.00 0.40 -0.51 4.01 3.91 3dh9A1 LEU 452 H -0.01 0.50 0.03 -0.55 8.37 8.34 3dh9A1 LEU 452 HA -0.02 -0.04 0.29 -0.75 4.35 3.83 3dh9A1 LEU 452 HB2 -0.01 0.04 -0.34 -0.04 1.64 1.29 3dh9A1 LEU 452 HB3 -0.03 -0.07 -0.11 -0.04 1.64 1.39 3dh9A1 LEU 452 HG 0.03 -0.04 -0.11 -0.04 1.64 1.48 3dh9A1 LEU 452 HD13 -0.00 -0.01 -0.13 -0.04 0.93 0.75 3dh9A1 LEU 452 HD23 0.00 0.07 -0.05 -0.04 0.89 0.87 3dh9A1 THR 453 H -0.03 0.04 0.22 -0.55 8.28 7.96 3dh9A1 THR 453 HA -0.07 0.15 1.10 -0.75 4.39 4.81 3dh9A1 THR 453 HB -0.06 0.25 0.17 -0.04 4.32 4.65 3dh9A1 THR 453 HG23 -0.03 0.01 -0.00 -0.04 1.22 1.16 3dh9A1 ILE 454 H -0.10 0.77 0.32 -0.55 8.25 8.69 3dh9A1 ILE 454 HA -0.18 0.05 0.40 -0.75 4.18 3.69 3dh9A1 ILE 454 HB -0.11 0.05 0.18 -0.04 1.89 1.97 3dh9A1 ILE 454 HG12 -0.11 0.10 -0.03 -0.04 1.49 1.41 3dh9A1 ILE 454 HG13 0.01 0.03 -0.04 -0.04 1.21 1.16 3dh9A1 ILE 454 HG23 -0.42 0.01 -0.15 -0.04 0.93 0.33 3dh9A1 ILE 454 HD13 -0.37 -0.02 -0.10 -0.04 0.88 0.35 3dh9A1 ASN 455 H -0.07 0.17 -0.06 -0.55 8.53 8.02 3dh9A1 ASN 455 HA -0.06 0.13 0.40 -0.75 4.76 4.48 3dh9A1 ASN 455 HB2 -0.03 -0.02 0.02 -0.04 2.88 2.81 3dh9A1 ASN 455 HB3 -0.03 0.04 -0.01 -0.04 2.79 2.76 3dh9A1 ASN 455 HD21 -0.02 0.06 -0.08 -0.04 7.03 6.95 3dh9A1 ASN 455 HD22 -0.03 0.03 0.01 -0.04 7.74 7.71 3dh9A1 THR 456 H -0.04 0.05 -0.28 -0.55 8.28 7.46 3dh9A1 THR 456 HA -0.02 0.11 0.42 -0.75 4.39 4.14 3dh9A1 THR 456 HB -0.03 0.02 0.07 -0.04 4.32 4.34 3dh9A1 THR 456 HG23 -0.02 0.02 -0.11 -0.04 1.22 1.07 3dh9A1 LEU 457 H -0.05 0.45 -0.18 -0.55 8.37 8.04 3dh9A1 LEU 457 HA 0.04 -0.03 0.25 -0.75 4.35 3.85 3dh9A1 LEU 457 HB2 -0.05 -0.06 0.05 -0.04 1.64 1.54 3dh9A1 LEU 457 HB3 -0.11 0.13 0.21 -0.04 1.64 1.83 3dh9A1 LEU 457 HG -0.06 0.17 -0.23 -0.04 1.64 1.48 3dh9A1 LEU 457 HD13 0.01 -0.05 -0.13 -0.04 0.93 0.72 3dh9A1 LEU 457 HD23 -0.12 -0.02 -0.05 -0.04 0.89 0.66 3dh9A1 ILE 458 H -0.08 0.41 -0.26 -0.55 8.25 7.77 3dh9A1 ILE 458 HA -0.04 0.29 0.28 -0.75 4.18 3.95 3dh9A1 ILE 458 HB -0.15 0.17 0.12 -0.04 1.89 2.00 3dh9A1 ILE 458 HG12 -0.13 -0.07 0.02 -0.04 1.49 1.27 3dh9A1 ILE 458 HG13 -0.08 0.20 0.03 -0.04 1.21 1.32 3dh9A1 ILE 458 HG23 -0.06 -0.03 -0.08 -0.04 0.93 0.71 3dh9A1 ILE 458 HD13 -0.26 -0.05 -0.08 -0.04 0.88 0.45 3dh9A1 ASN 459 H -0.03 0.16 -0.56 -0.55 8.53 7.55 3dh9A1 ASN 459 HA -0.01 0.18 0.88 -0.75 4.76 5.05 3dh9A1 ASN 459 HB2 -0.02 0.10 0.12 -0.04 2.88 3.04 3dh9A1 ASN 459 HB3 -0.01 -0.12 0.16 -0.04 2.79 2.78 3dh9A1 ASN 459 HD21 -0.02 -0.12 -0.05 -0.04 7.03 6.80 3dh9A1 ASN 459 HD22 -0.03 0.58 0.11 -0.04 7.74 8.36 3dh9A1 THR 460 H 0.01 0.42 -0.24 -0.55 8.28 7.91 3dh9A1 THR 460 HA -0.00 -0.04 0.73 -0.75 4.39 4.33 3dh9A1 THR 460 HB 0.05 0.13 0.14 -0.04 4.32 4.60 3dh9A1 THR 460 HG23 -0.00 -0.02 -0.14 -0.04 1.22 1.02 3dh9A1 VAL 461 H 0.00 0.09 0.10 -0.55 8.24 7.89 3dh9A1 VAL 461 HA 0.01 0.02 0.35 -0.75 4.13 3.76 3dh9A1 VAL 461 HB 0.00 -0.06 0.12 -0.04 2.12 2.14 3dh9A1 VAL 461 HG13 0.01 0.04 -0.02 -0.04 0.97 0.96 3dh9A1 VAL 461 HG23 -0.00 0.02 0.04 -0.04 0.95 0.97 3dh9A1 GLY 462 H 0.02 0.11 0.14 -0.55 8.43 8.17 3dh9A1 GLY 462 HA2 0.06 0.02 0.53 -0.51 4.01 4.10 3dh9A1 GLY 462 HA3 0.05 0.02 0.26 -0.51 4.01 3.83 3dh9A1 ILE 463 H 0.06 0.09 0.11 -0.55 8.25 7.96 3dh9A1 ILE 463 HA 0.06 0.18 0.70 -0.75 4.18 4.36 3dh9A1 ILE 463 HB 0.04 -0.13 0.03 -0.04 1.89 1.79 3dh9A1 ILE 463 HG12 0.01 0.09 -0.06 -0.04 1.49 1.49 3dh9A1 ILE 463 HG13 0.02 0.02 -0.05 -0.04 1.21 1.15 3dh9A1 ILE 463 HG23 0.02 0.01 -0.19 -0.04 0.93 0.73 3dh9A1 ILE 463 HD13 -0.01 -0.01 -0.05 -0.04 0.88 0.77 3dh9A1 HIS 464 H 0.12 0.32 0.05 -0.55 8.41 8.35 3dh9A1 HIS 464 HA 0.04 0.02 0.77 -0.75 4.63 4.70 3dh9A1 HIS 464 HB2 0.03 0.02 -0.19 -0.04 3.26 3.08 3dh9A1 HIS 464 HB3 0.02 0.04 0.00 -0.04 3.20 3.23 3dh9A1 HIS 464 HD2 0.03 0.01 -0.11 -0.04 6.97 6.85 3dh9A1 HIS 464 HE1 0.06 0.01 0.01 -0.04 7.75 7.79 3dh9A1 PRO 465 HA -0.32 0.02 0.48 -0.51 4.44 4.11 3dh9A1 PRO 465 HB2 -0.11 -0.04 0.05 -0.04 2.28 2.14 3dh9A1 PRO 465 HB3 -0.39 0.05 0.09 -0.04 2.02 1.73 3dh9A1 PRO 465 HG2 -0.12 0.04 0.09 -0.04 2.03 2.00 3dh9A1 PRO 465 HG3 -0.40 0.06 0.00 -0.04 2.03 1.65 3dh9A1 PRO 465 HD2 -0.08 0.04 0.30 -0.04 3.68 3.89 3dh9A1 PRO 465 HD3 -0.11 0.25 0.48 -0.04 3.65 4.23 3dh9A1 THR 466 H 0.05 0.31 0.28 -0.55 8.28 8.37 3dh9A1 THR 466 HA 0.03 0.19 0.76 -0.75 4.39 4.63 3dh9A1 THR 466 HB 0.04 -0.17 0.15 -0.04 4.32 4.30 3dh9A1 THR 466 HG23 0.02 0.02 -0.26 -0.04 1.22 0.97 3dh9A1 THR 467 H 0.06 0.17 0.15 -0.55 8.28 8.12 3dh9A1 THR 467 HA -0.02 0.25 0.94 -0.75 4.39 4.81 3dh9A1 THR 467 HB -0.03 0.08 0.03 -0.04 4.32 4.35 3dh9A1 THR 467 HG23 0.13 0.01 0.01 -0.04 1.22 1.32 3dh9A1 ALA 468 H 0.05 0.08 0.04 -0.55 8.40 8.02 3dh9A1 ALA 468 HA 0.10 0.10 0.40 -0.75 4.34 4.18 3dh9A1 ALA 468 HB3 0.12 0.03 0.04 -0.04 1.41 1.56 3dh9A1 GLU 469 H 0.07 0.07 -0.44 -0.55 8.60 7.75 3dh9A1 GLU 469 HA 0.13 0.09 0.35 -0.75 4.29 4.10 3dh9A1 GLU 469 HB2 0.08 -0.01 0.08 -0.04 2.09 2.21 3dh9A1 GLU 469 HB3 0.09 0.14 0.13 -0.04 1.99 2.31 3dh9A1 GLU 469 HG2 0.09 0.12 -0.02 -0.04 2.34 2.48 3dh9A1 GLU 469 HG3 0.08 0.04 -0.32 -0.04 2.34 2.10 3dh9A1 GLU 470 H -0.06 0.40 -0.60 -0.55 8.60 7.79 3dh9A1 GLU 470 HA -0.07 0.07 0.34 -0.75 4.29 3.88 3dh9A1 GLU 470 HB2 -0.49 0.11 -0.00 -0.04 2.09 1.67 3dh9A1 GLU 470 HB3 -0.35 0.01 -0.07 -0.04 1.99 1.54 3dh9A1 GLU 470 HG2 -0.17 -0.03 0.06 -0.04 2.34 2.16 3dh9A1 GLU 470 HG3 -0.68 -0.06 -0.02 -0.04 2.34 1.54 3dh9A1 PHE 471 H 0.01 0.40 -0.27 -0.55 8.34 7.92 3dh9A1 PHE 471 HA -0.19 0.02 0.38 -0.75 4.62 4.08 3dh9A1 PHE 471 HB2 -0.35 0.19 0.09 -0.04 3.15 3.04 3dh9A1 PHE 471 HB3 -0.63 0.02 -0.09 -0.04 3.06 2.31 3dh9A1 PHE 471 HD2 -0.33 0.04 -0.05 -0.04 7.28 6.91 3dh9A1 PHE 471 HE2 -0.20 -0.00 -0.11 -0.04 7.38 7.03 3dh9A1 PHE 471 HZ -0.02 -0.09 -0.33 -0.04 7.32 6.83 3dh9A1 THR 472 H 0.11 0.23 -0.33 -0.55 8.28 7.74 3dh9A1 THR 472 HA 0.05 0.15 0.29 -0.75 4.39 4.13 3dh9A1 THR 472 HB 0.05 0.28 0.14 -0.04 4.32 4.74 3dh9A1 THR 472 HG23 0.18 -0.04 -0.07 -0.04 1.22 1.25 3dh9A1 ARG 473 H -0.00 0.16 -0.54 -0.55 8.46 7.53 3dh9A1 ARG 473 HA -0.00 0.10 0.37 -0.75 4.34 4.05 3dh9A1 ARG 473 HB2 -0.02 0.04 0.04 -0.04 1.90 1.93 3dh9A1 ARG 473 HB3 0.00 -0.06 0.01 -0.04 1.80 1.71 3dh9A1 ARG 473 HG2 0.01 0.01 -0.06 -0.04 1.67 1.58 3dh9A1 ARG 473 HG3 0.02 0.12 -0.11 -0.04 1.67 1.66 3dh9A1 ARG 473 HD2 0.03 -0.07 -0.13 -0.04 3.22 3.01 3dh9A1 ARG 473 HD3 0.02 0.01 -0.04 -0.04 3.22 3.17 3dh9A1 LEU 474 H -0.03 0.16 -0.41 -0.55 8.37 7.55 3dh9A1 LEU 474 HA 0.01 -0.03 0.37 -0.75 4.35 3.94 3dh9A1 LEU 474 HB2 -0.03 0.30 0.02 -0.04 1.64 1.89 3dh9A1 LEU 474 HB3 -0.02 -0.07 -0.17 -0.04 1.64 1.34 3dh9A1 LEU 474 HG 0.08 -0.11 -0.30 -0.04 1.64 1.27 3dh9A1 LEU 474 HD13 -0.09 0.04 -0.27 -0.04 0.93 0.57 3dh9A1 LEU 474 HD23 0.01 -0.03 -0.12 -0.04 0.89 0.71 3dh9A1 ALA 475 H 0.10 -0.07 0.21 -0.55 8.40 8.10 3dh9A1 ALA 475 HA 0.15 0.10 0.63 -0.75 4.34 4.47 3dh9A1 ALA 475 HB3 0.05 0.03 -0.05 -0.04 1.41 1.40 3dh9A1 ILE 476 H 0.11 0.11 0.26 -0.55 8.25 8.18 3dh9A1 ILE 476 HA 0.09 0.06 0.62 -0.75 4.18 4.20 3dh9A1 ILE 476 HB 0.05 0.21 0.28 -0.04 1.89 2.38 3dh9A1 ILE 476 HG12 0.05 -0.01 -0.06 -0.04 1.49 1.43 3dh9A1 ILE 476 HG13 0.05 -0.09 -0.01 -0.04 1.21 1.12 3dh9A1 ILE 476 HG23 0.12 -0.04 -0.26 -0.04 0.93 0.72 3dh9A1 ILE 476 HD13 0.01 0.04 0.04 -0.04 0.88 0.93 3dh9A1 THR 477 H 0.02 0.12 0.27 -0.55 8.28 8.14 3dh9A1 THR 477 HA -0.19 0.37 0.94 -0.75 4.39 4.76 3dh9A1 THR 477 HB -0.33 -0.10 0.17 -0.04 4.32 4.02 3dh9A1 THR 477 HG23 -0.47 0.06 -0.01 -0.04 1.22 0.75 3dh9A1 LYS 478 H -0.24 0.55 0.36 -0.55 8.42 8.54 3dh9A1 LYS 478 HA -0.16 0.15 0.54 -0.75 4.32 4.10 3dh9A1 LYS 478 HB2 -0.19 -0.06 0.15 -0.04 1.87 1.73 3dh9A1 LYS 478 HB3 -0.16 0.01 0.06 -0.04 1.79 1.66 3dh9A1 LYS 478 HG2 -1.09 0.06 -0.01 -0.04 1.46 0.38 3dh9A1 LYS 478 HG3 -0.46 0.06 0.02 -0.04 1.46 1.04 3dh9A1 LYS 478 HD2 -0.14 -0.05 -0.02 -0.04 1.69 1.43 3dh9A1 LYS 478 HD3 -0.15 0.02 -0.02 -0.04 1.68 1.48 3dh9A1 LYS 478 HE2 -0.11 0.06 -0.07 -0.04 2.99 2.82 3dh9A1 LYS 478 HE3 -0.13 0.01 -0.10 -0.04 2.99 2.73 3dh9A1 ARG 479 H -0.13 0.03 -0.12 -0.55 8.46 7.69 3dh9A1 ARG 479 HA -0.05 0.11 0.34 -0.75 4.34 3.98 3dh9A1 ARG 479 HB2 -0.09 0.02 0.11 -0.04 1.90 1.90 3dh9A1 ARG 479 HB3 -0.11 -0.04 0.10 -0.04 1.80 1.72 3dh9A1 ARG 479 HG2 -0.04 0.04 -0.19 -0.04 1.67 1.44 3dh9A1 ARG 479 HG3 -0.03 0.00 0.04 -0.04 1.67 1.64 3dh9A1 ARG 479 HD2 -0.07 0.00 0.00 -0.04 3.22 3.12 3dh9A1 ARG 479 HD3 -0.02 0.00 -0.02 -0.04 3.22 3.14 3dh9A1 SER 480 H -0.05 0.03 -0.20 -0.55 8.46 7.70 3dh9A1 SER 480 HA -0.01 0.07 0.40 -0.75 4.49 4.20 3dh9A1 SER 480 HB2 0.01 0.04 0.11 -0.04 3.95 4.06 3dh9A1 SER 480 HB3 -0.01 -0.05 0.17 -0.04 3.93 4.00 3dh9A1 GLY 481 H 0.01 0.22 -0.56 -0.55 8.43 7.56 3dh9A1 GLY 481 HA2 0.03 0.05 0.25 -0.51 4.01 3.83 3dh9A1 GLY 481 HA3 0.02 0.07 0.45 -0.51 4.01 4.04 3dh9A1 LEU 482 H 0.05 -0.01 -0.34 -0.55 8.37 7.52 3dh9A1 LEU 482 HA 0.03 0.06 0.45 -0.75 4.35 4.14 3dh9A1 LEU 482 HB2 0.05 -0.09 0.03 -0.04 1.64 1.58 3dh9A1 LEU 482 HB3 0.04 0.12 -0.11 -0.04 1.64 1.65 3dh9A1 LEU 482 HG 0.03 0.03 -0.01 -0.04 1.64 1.65 3dh9A1 LEU 482 HD13 0.02 0.02 -0.05 -0.04 0.93 0.88 3dh9A1 LEU 482 HD23 0.03 -0.01 -0.00 -0.04 0.89 0.86 3dh9A1 ASP 483 H 0.03 0.10 0.13 -0.55 8.40 8.11 3dh9A1 ASP 483 HA 0.04 0.06 0.41 -0.75 4.63 4.39 3dh9A1 ASP 483 HB2 0.01 0.01 0.16 -0.04 2.71 2.85 3dh9A1 ASP 483 HB3 0.01 0.06 0.09 -0.04 2.70 2.81 3dh9A1 PRO 484 HA -0.09 0.18 0.46 -0.51 4.44 4.48 3dh9A1 PRO 484 HB2 -0.25 -0.12 -0.04 -0.04 2.28 1.82 3dh9A1 PRO 484 HB3 -1.07 0.07 -0.04 -0.04 2.02 0.93 3dh9A1 PRO 484 HG2 0.27 0.02 -0.06 -0.04 2.03 2.22 3dh9A1 PRO 484 HG3 0.11 0.00 -0.02 -0.04 2.03 2.09 3dh9A1 PRO 484 HD2 0.05 0.05 0.18 -0.04 3.68 3.91 3dh9A1 PRO 484 HD3 0.08 0.23 0.15 -0.04 3.65 4.07 3dh9A1 THR 485 H 0.03 0.06 -0.42 -0.55 8.28 7.40 3dh9A1 THR 485 HA 0.08 0.18 0.84 -0.75 4.39 4.74 3dh9A1 THR 485 HB -0.05 0.03 0.15 -0.04 4.32 4.40 3dh9A1 THR 485 HG23 -0.12 -0.00 -0.04 -0.04 1.22 1.02 3dh9A1 PRO 486 HA 0.02 0.08 0.27 -0.51 4.44 4.30 3dh9A1 PRO 486 HB2 0.05 -0.00 0.02 -0.04 2.28 2.31 3dh9A1 PRO 486 HB3 0.04 0.01 0.05 -0.04 2.02 2.08 3dh9A1 PRO 486 HG2 0.06 0.12 0.13 -0.04 2.03 2.30 3dh9A1 PRO 486 HG3 0.04 0.01 0.06 -0.04 2.03 2.10 3dh9A1 PRO 486 HD2 0.07 0.41 0.35 -0.04 3.68 4.46 3dh9A1 PRO 486 HD3 0.03 0.06 -0.25 -0.04 3.65 3.45