============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 70 rings ring int. center anis. iso. TRP 7 1.040 -10.313 44.562 85.616 -99.200 -91.000 TRP6 7 1.020 -11.244 46.677 85.129 -99.200 -91.000 TYR 14 0.840 -14.880 34.395 88.105 -99.200 -91.000 PHE 24 1.000 3.558 35.297 84.796 -99.200 -91.000 HIS 36 0.900 -16.030 38.028 89.241 -99.200 -91.000 PHE 44 1.000 -8.920 48.922 79.103 -99.200 -91.000 PHE 58 1.000 -8.100 37.154 79.080 -99.200 -91.000 TRP 59 1.040 -16.350 42.409 75.649 -99.200 -91.000 TRP6 59 1.020 -17.536 42.061 77.671 -99.200 -91.000 HIS 61 0.900 -14.147 39.725 67.009 -99.200 -91.000 PHE 64 1.000 -9.835 43.571 73.201 -99.200 -91.000 TYR 67 0.840 -11.974 48.251 74.977 -99.200 -91.000 PHE 82 1.000 1.958 33.374 70.657 -99.200 -91.000 TYR 87 0.840 -7.394 26.633 64.006 -99.200 -91.000 PHE 89 1.000 -11.369 31.450 62.559 -99.200 -91.000 TRP 91 1.040 -2.604 35.024 64.654 -99.200 -91.000 TRP6 91 1.020 -1.884 36.092 66.647 -99.200 -91.000 TYR 96 0.840 -8.922 49.827 64.493 -99.200 -91.000 TYR 103 0.840 -0.604 38.190 72.571 -99.200 -91.000 TYR 114 0.840 -31.569 18.939 72.063 -99.200 -91.000 TRP 126 1.040 -35.735 31.298 65.581 -99.200 -91.000 TRP6 126 1.020 -35.837 31.932 67.861 -99.200 -91.000 PHE 146 1.000 -33.851 34.238 73.395 -99.200 -91.000 TYR 152 0.840 -23.281 37.051 71.803 -99.200 -91.000 PHE 153 1.000 -27.040 36.005 75.448 -99.200 -91.000 TRP 155 1.040 -27.021 40.246 64.988 -99.200 -91.000 TRP6 155 1.020 -27.970 42.302 64.310 -99.200 -91.000 TYR 164 0.840 -27.161 45.140 56.200 -99.200 -91.000 PHE 166 1.000 -21.506 49.311 61.702 -99.200 -91.000 TYR 168 0.840 -15.472 43.290 54.172 -99.200 -91.000 TYR 173 0.840 -17.118 44.678 58.744 -99.200 -91.000 PHE 191 1.000 -41.460 33.504 65.413 -99.200 -91.000 HIS 200 0.900 -46.459 30.940 72.854 -99.200 -91.000 TYR 207 0.840 -26.051 34.051 81.190 -99.200 -91.000 PHE 214 1.000 -31.504 23.795 79.203 -99.200 -91.000 TRP 227 1.040 -21.169 32.000 78.186 -99.200 -91.000 TRP6 227 1.020 -20.865 32.720 75.959 -99.200 -91.000 TRP 229 1.040 -22.089 24.278 76.168 -99.200 -91.000 TRP6 229 1.020 -20.277 23.888 74.696 -99.200 -91.000 TYR 239 0.840 -25.570 20.211 78.445 -99.200 -91.000 PHE 247 1.000 -38.302 34.900 61.186 -99.200 -91.000 PHE 255 1.000 -22.712 40.670 64.337 -99.200 -91.000 PHE 276 1.000 -1.429 35.027 82.554 -99.200 -91.000 TYR 280 0.840 4.126 30.865 82.464 -99.200 -91.000 TYR 304 0.840 -7.400 22.346 74.999 -99.200 -91.000 PHE 336 1.000 -25.054 46.252 65.701 -99.200 -91.000 TRP 337 1.040 -22.479 45.005 70.082 -99.200 -91.000 TRP6 337 1.020 -23.998 43.310 69.423 -99.200 -91.000 TYR 338 0.840 -27.385 53.441 74.384 -99.200 -91.000 PHE 369 1.000 -22.571 54.442 63.425 -99.200 -91.000 PHE 380 1.000 -8.127 65.572 48.559 -99.200 -91.000 HIS 383 0.900 -9.332 67.939 42.612 -99.200 -91.000 TRP 406 1.040 -15.208 63.369 36.364 -99.200 -91.000 TRP6 406 1.020 -14.987 61.846 38.176 -99.200 -91.000 HIS 408 0.900 -19.520 67.053 35.552 -99.200 -91.000 TRP 412 1.040 -20.015 56.316 33.729 -99.200 -91.000 TRP6 412 1.020 -21.562 54.654 34.382 -99.200 -91.000 TYR 428 0.840 -15.286 58.027 43.902 -99.200 -91.000 TYR 430 0.840 -20.361 58.363 55.262 -99.200 -91.000 PHE 432 1.000 -23.552 57.893 45.031 -99.200 -91.000 HIS 434 0.900 -20.492 53.265 49.169 -99.200 -91.000 HIS 437 0.900 -23.309 46.432 40.570 -99.200 -91.000 TYR 439 0.840 -27.573 49.128 36.703 -99.200 -91.000 TRP 448 1.040 -20.024 56.002 27.155 -99.200 -91.000 TRP6 448 1.020 -20.199 53.956 28.324 -99.200 -91.000 HIS 454 0.900 -34.421 66.012 26.423 -99.200 -91.000 TRP 458 1.040 -30.710 56.362 30.586 -99.200 -91.000 TRP6 458 1.020 -29.864 54.282 31.340 -99.200 -91.000 TYR 461 0.840 -24.624 57.905 38.852 -99.200 -91.000 PHE 467 1.000 -27.868 53.088 51.945 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3c4mB1 GLU -340 HA -0.00 -0.09 0.20 -0.75 4.29 3.64 3c4mB1 GLU -340 HB2 -0.01 0.00 0.10 -0.04 2.09 2.15 3c4mB1 GLU -340 HB3 -0.01 0.00 0.06 -0.04 1.99 2.00 3c4mB1 GLU -340 HG2 -0.01 -0.00 0.08 -0.04 2.34 2.36 3c4mB1 GLU -340 HG3 -0.01 0.02 0.05 -0.04 2.34 2.36 3c4mB1 GLY -339 H 0.01 0.08 0.07 -0.55 8.43 8.04 3c4mB1 GLY -339 HA2 0.01 -0.05 0.32 -0.51 4.01 3.78 3c4mB1 GLY -339 HA3 0.00 0.15 0.71 -0.51 4.01 4.37 3c4mB1 LYS -338 H 0.00 0.27 -0.10 -0.55 8.42 8.04 3c4mB1 LYS -338 HA 0.01 0.10 0.71 -0.75 4.32 4.39 3c4mB1 LYS -338 HB2 -0.00 0.05 -0.12 -0.04 1.87 1.76 3c4mB1 LYS -338 HB3 -0.00 0.01 -0.04 -0.04 1.79 1.72 3c4mB1 LYS -338 HG2 0.00 -0.01 0.02 -0.04 1.46 1.43 3c4mB1 LYS -338 HG3 -0.00 0.07 -0.45 -0.04 1.46 1.04 3c4mB1 LYS -338 HD2 -0.00 0.01 -0.09 -0.04 1.69 1.57 3c4mB1 LYS -338 HD3 0.00 -0.05 -0.05 -0.04 1.68 1.54 3c4mB1 LYS -338 HE2 -0.00 0.00 -0.01 -0.04 2.99 2.94 3c4mB1 LYS -338 HE3 -0.00 0.04 -0.05 -0.04 2.99 2.94 3c4mB1 LEU -337 H -0.00 0.72 0.25 -0.55 8.37 8.79 3c4mB1 LEU -337 HA -0.05 0.14 1.01 -0.75 4.35 4.69 3c4mB1 LEU -337 HB2 -0.11 0.09 0.07 -0.04 1.64 1.65 3c4mB1 LEU -337 HB3 -0.20 -0.03 -0.13 -0.04 1.64 1.24 3c4mB1 LEU -337 HG 0.01 -0.01 -0.25 -0.04 1.64 1.35 3c4mB1 LEU -337 HD13 -0.40 0.00 -0.22 -0.04 0.93 0.27 3c4mB1 LEU -337 HD23 -0.06 0.01 -0.06 -0.04 0.89 0.74 3c4mB1 VAL -336 H -0.07 0.15 0.23 -0.55 8.24 8.01 3c4mB1 VAL -336 HA -0.00 0.32 0.96 -0.75 4.13 4.66 3c4mB1 VAL -336 HB -0.08 -0.14 0.12 -0.04 2.12 1.98 3c4mB1 VAL -336 HG13 0.12 0.01 -0.10 -0.04 0.97 0.96 3c4mB1 VAL -336 HG23 0.00 0.03 -0.13 -0.04 0.95 0.82 3c4mB1 ILE -335 H 0.06 0.87 0.37 -0.55 8.25 9.00 3c4mB1 ILE -335 HA 0.05 0.24 1.05 -0.75 4.18 4.76 3c4mB1 ILE -335 HB 0.06 -0.03 0.01 -0.04 1.89 1.89 3c4mB1 ILE -335 HG12 0.01 0.02 -0.11 -0.04 1.49 1.37 3c4mB1 ILE -335 HG13 -0.14 -0.08 -0.48 -0.04 1.21 0.47 3c4mB1 ILE -335 HG23 0.28 -0.01 -0.24 -0.04 0.93 0.92 3c4mB1 ILE -335 HD13 -0.32 -0.00 -0.20 -0.04 0.88 0.32 3c4mB1 TRP -334 H 0.26 0.66 0.41 -0.55 7.97 8.76 3c4mB1 TRP -334 HA 0.02 0.33 1.08 -0.75 4.62 5.30 3c4mB1 TRP -334 HB2 0.00 -0.00 0.24 -0.04 3.23 3.43 3c4mB1 TRP -334 HB3 0.03 -0.04 0.02 -0.04 3.23 3.21 3c4mB1 TRP -334 HD1 -0.01 0.22 -0.40 -0.04 7.22 6.99 3c4mB1 TRP -334 HE1 -0.03 0.02 -0.11 -0.04 10.20 10.05 3c4mB1 TRP -334 HE3 -0.03 -0.01 -0.02 -0.04 7.59 7.49 3c4mB1 TRP -334 HZ2 -0.02 0.01 -0.05 -0.04 7.44 7.34 3c4mB1 TRP -334 HZ3 0.04 -0.02 -0.10 -0.04 7.13 7.01 3c4mB1 TRP -334 HH2 -0.01 0.04 -0.12 -0.04 7.19 7.07 3c4mB1 ILE -333 H 0.14 0.72 0.38 -0.55 8.25 8.94 3c4mB1 ILE -333 HA 0.26 0.15 0.75 -0.75 4.18 4.58 3c4mB1 ILE -333 HB -0.12 0.03 -0.18 -0.04 1.89 1.58 3c4mB1 ILE -333 HG12 -0.05 0.04 -0.07 -0.04 1.49 1.36 3c4mB1 ILE -333 HG13 0.01 -0.03 0.07 -0.04 1.21 1.22 3c4mB1 ILE -333 HG23 0.04 0.03 -0.19 -0.04 0.93 0.78 3c4mB1 ILE -333 HD13 -0.51 -0.00 -0.16 -0.04 0.88 0.17 3c4mB1 ASN -332 H 0.08 0.12 0.12 -0.55 8.53 8.31 3c4mB1 ASN -332 HA 0.09 0.11 0.47 -0.75 4.76 4.68 3c4mB1 ASN -332 HB2 -0.14 0.06 0.16 -0.04 2.88 2.92 3c4mB1 ASN -332 HB3 -0.28 -0.05 0.07 -0.04 2.79 2.48 3c4mB1 ASN -332 HD21 -0.19 0.03 0.04 -0.04 7.03 6.87 3c4mB1 ASN -332 HD22 -0.52 0.02 0.01 -0.04 7.74 7.20 3c4mB1 GLY -331 H -0.02 0.15 0.20 -0.55 8.43 8.22 3c4mB1 GLY -331 HA2 -0.11 0.14 0.39 -0.51 4.01 3.93 3c4mB1 GLY -331 HA3 -0.07 0.07 0.38 -0.51 4.01 3.87 3c4mB1 ASP -330 H -0.18 -0.08 -0.43 -0.55 8.40 7.17 3c4mB1 ASP -330 HA -0.07 0.24 0.78 -0.75 4.63 4.83 3c4mB1 ASP -330 HB2 -0.28 0.03 0.06 -0.04 2.71 2.48 3c4mB1 ASP -330 HB3 -0.38 -0.04 0.02 -0.04 2.70 2.26 3c4mB1 LYS -329 H -0.08 0.40 -0.20 -0.55 8.42 7.98 3c4mB1 LYS -329 HA -0.06 0.18 0.62 -0.75 4.32 4.31 3c4mB1 LYS -329 HB2 -0.06 0.09 -0.07 -0.04 1.87 1.79 3c4mB1 LYS -329 HB3 -0.09 -0.01 -0.00 -0.04 1.79 1.64 3c4mB1 LYS -329 HG2 -0.29 -0.14 -0.04 -0.04 1.46 0.95 3c4mB1 LYS -329 HG3 -0.19 -0.05 -0.03 -0.04 1.46 1.15 3c4mB1 LYS -329 HD2 -0.15 0.10 -0.07 -0.04 1.69 1.52 3c4mB1 LYS -329 HD3 -0.40 0.04 -0.26 -0.04 1.68 1.02 3c4mB1 LYS -329 HE2 -0.42 -0.04 -0.07 -0.04 2.99 2.43 3c4mB1 LYS -329 HE3 -0.46 0.06 -0.07 -0.04 2.99 2.47 3c4mB1 GLY -328 H -0.05 0.22 0.04 -0.55 8.43 8.10 3c4mB1 GLY -328 HA2 -0.17 0.14 0.32 -0.51 4.01 3.78 3c4mB1 GLY -328 HA3 -0.07 0.17 0.45 -0.51 4.01 4.06 3c4mB1 TYR -327 H -0.25 0.69 0.08 -0.55 8.29 8.26 3c4mB1 TYR -327 HA -0.07 0.02 0.26 -0.75 4.56 4.02 3c4mB1 TYR -327 HB2 0.02 -0.02 -0.12 -0.04 3.06 2.90 3c4mB1 TYR -327 HB3 -0.04 0.05 -0.12 -0.04 2.98 2.83 3c4mB1 TYR -327 HD2 -0.07 0.06 -0.16 -0.04 7.15 6.94 3c4mB1 TYR -327 HE2 -0.22 0.12 0.05 -0.04 6.85 6.75 3c4mB1 ASN -326 H -0.48 0.17 -0.12 -0.55 8.53 7.55 3c4mB1 ASN -326 HA 0.06 0.10 0.50 -0.75 4.76 4.67 3c4mB1 ASN -326 HB2 -0.17 0.01 0.05 -0.04 2.88 2.72 3c4mB1 ASN -326 HB3 -0.04 0.07 -0.01 -0.04 2.79 2.76 3c4mB1 ASN -326 HD21 -0.10 0.03 -0.00 -0.04 7.03 6.92 3c4mB1 ASN -326 HD22 -0.23 0.05 0.00 -0.04 7.74 7.52 3c4mB1 GLY -325 H -0.08 0.09 -0.23 -0.55 8.43 7.66 3c4mB1 GLY -325 HA2 0.00 0.10 0.41 -0.51 4.01 4.01 3c4mB1 GLY -325 HA3 -0.01 0.18 0.30 -0.51 4.01 3.96 3c4mB1 LEU -324 H -0.00 0.42 -0.16 -0.55 8.37 8.09 3c4mB1 LEU -324 HA 0.05 0.04 0.35 -0.75 4.35 4.04 3c4mB1 LEU -324 HB2 -0.07 0.02 0.00 -0.04 1.64 1.55 3c4mB1 LEU -324 HB3 0.02 0.12 0.05 -0.04 1.64 1.79 3c4mB1 LEU -324 HG 0.08 -0.01 -0.20 -0.04 1.64 1.46 3c4mB1 LEU -324 HD13 0.12 -0.01 -0.06 -0.04 0.93 0.94 3c4mB1 LEU -324 HD23 -0.35 -0.01 -0.16 -0.04 0.89 0.33 3c4mB1 ALA -323 H 0.07 0.56 -0.25 -0.55 8.40 8.24 3c4mB1 ALA -323 HA 0.08 0.00 0.51 -0.75 4.34 4.18 3c4mB1 ALA -323 HB3 0.08 0.05 0.13 -0.04 1.41 1.63 3c4mB1 GLU -322 H 0.06 0.39 -0.40 -0.55 8.60 8.10 3c4mB1 GLU -322 HA 0.06 0.03 0.48 -0.75 4.29 4.11 3c4mB1 GLU -322 HB2 0.03 0.09 0.20 -0.04 2.09 2.37 3c4mB1 GLU -322 HB3 0.04 0.06 0.01 -0.04 1.99 2.07 3c4mB1 GLU -322 HG2 0.03 -0.00 0.02 -0.04 2.34 2.34 3c4mB1 GLU -322 HG3 0.04 -0.06 0.07 -0.04 2.34 2.35 3c4mB1 VAL -321 H 0.10 0.35 -0.30 -0.55 8.24 7.85 3c4mB1 VAL -321 HA 0.11 0.08 0.62 -0.75 4.13 4.19 3c4mB1 VAL -321 HB 0.19 0.10 0.01 -0.04 2.12 2.38 3c4mB1 VAL -321 HG13 -0.03 -0.02 -0.14 -0.04 0.97 0.74 3c4mB1 VAL -321 HG23 0.04 0.07 0.04 -0.04 0.95 1.06 3c4mB1 GLY -320 H 0.18 0.38 -0.14 -0.55 8.43 8.30 3c4mB1 GLY -320 HA2 0.24 0.01 0.46 -0.51 4.01 4.21 3c4mB1 GLY -320 HA3 0.08 0.09 0.31 -0.51 4.01 3.98 3c4mB1 LYS -319 H 0.11 0.26 -0.52 -0.55 8.42 7.71 3c4mB1 LYS -319 HA 0.06 0.08 0.58 -0.75 4.32 4.28 3c4mB1 LYS -319 HB2 0.06 0.15 0.11 -0.04 1.87 2.15 3c4mB1 LYS -319 HB3 0.05 -0.03 0.00 -0.04 1.79 1.77 3c4mB1 LYS -319 HG2 0.05 -0.05 0.00 -0.04 1.46 1.42 3c4mB1 LYS -319 HG3 0.06 0.24 0.07 -0.04 1.46 1.79 3c4mB1 LYS -319 HD2 0.04 -0.01 -0.02 -0.04 1.69 1.65 3c4mB1 LYS -319 HD3 0.04 -0.00 -0.00 -0.04 1.68 1.67 3c4mB1 LYS -319 HE2 0.03 -0.02 0.01 -0.04 2.99 2.97 3c4mB1 LYS -319 HE3 0.03 -0.00 -0.01 -0.04 2.99 2.97 3c4mB1 LYS -318 H 0.11 0.30 -0.13 -0.55 8.42 8.14 3c4mB1 LYS -318 HA 0.08 0.07 0.50 -0.75 4.32 4.21 3c4mB1 LYS -318 HB2 0.17 0.07 0.12 -0.04 1.87 2.19 3c4mB1 LYS -318 HB3 0.19 -0.01 0.00 -0.04 1.79 1.93 3c4mB1 LYS -318 HG2 0.08 -0.02 0.04 -0.04 1.46 1.51 3c4mB1 LYS -318 HG3 0.08 0.15 0.12 -0.04 1.46 1.78 3c4mB1 LYS -318 HD2 0.12 -0.01 0.01 -0.04 1.69 1.77 3c4mB1 LYS -318 HD3 0.08 -0.04 -0.01 -0.04 1.68 1.66 3c4mB1 LYS -318 HE2 0.04 -0.03 -0.03 -0.04 2.99 2.93 3c4mB1 LYS -318 HE3 0.06 0.20 -0.08 -0.04 2.99 3.13 3c4mB1 PHE -317 H 0.16 0.46 -0.25 -0.55 8.34 8.16 3c4mB1 PHE -317 HA -0.67 0.04 0.42 -0.75 4.62 3.66 3c4mB1 PHE -317 HB2 -0.15 0.06 0.07 -0.04 3.15 3.10 3c4mB1 PHE -317 HB3 -0.03 0.15 0.05 -0.04 3.06 3.19 3c4mB1 PHE -317 HD2 -0.81 0.07 -0.14 -0.04 7.28 6.36 3c4mB1 PHE -317 HE2 0.01 -0.02 -0.18 -0.04 7.38 7.14 3c4mB1 PHE -317 HZ 0.03 -0.03 -0.05 -0.04 7.32 7.23 3c4mB1 GLU -316 H 0.07 0.35 -0.30 -0.55 8.60 8.18 3c4mB1 GLU -316 HA -0.14 0.08 0.42 -0.75 4.29 3.89 3c4mB1 GLU -316 HB2 0.03 0.11 0.21 -0.04 2.09 2.40 3c4mB1 GLU -316 HB3 0.01 0.08 0.13 -0.04 1.99 2.17 3c4mB1 GLU -316 HG2 -0.02 -0.04 -0.18 -0.04 2.34 2.06 3c4mB1 GLU -316 HG3 -0.02 0.05 -0.43 -0.04 2.34 1.89 3c4mB1 LYS -315 H -0.01 0.48 -0.29 -0.55 8.42 8.04 3c4mB1 LYS -315 HA -0.02 0.02 0.43 -0.75 4.32 4.00 3c4mB1 LYS -315 HB2 0.02 0.04 0.13 -0.04 1.87 2.02 3c4mB1 LYS -315 HB3 0.03 0.16 0.12 -0.04 1.79 2.06 3c4mB1 LYS -315 HG2 0.02 0.00 -0.03 -0.04 1.46 1.41 3c4mB1 LYS -315 HG3 0.01 -0.04 0.08 -0.04 1.46 1.47 3c4mB1 LYS -315 HD2 0.03 -0.02 -0.00 -0.04 1.69 1.66 3c4mB1 LYS -315 HD3 0.04 -0.01 -0.00 -0.04 1.68 1.67 3c4mB1 LYS -315 HE2 0.02 -0.01 -0.01 -0.04 2.99 2.96 3c4mB1 LYS -315 HE3 0.02 -0.01 0.01 -0.04 2.99 2.97 3c4mB1 ASP -314 H -0.12 0.25 -0.53 -0.55 8.40 7.46 3c4mB1 ASP -314 HA -0.02 0.16 0.83 -0.75 4.63 4.84 3c4mB1 ASP -314 HB2 -0.03 0.04 0.06 -0.04 2.71 2.75 3c4mB1 ASP -314 HB3 0.07 -0.07 0.04 -0.04 2.70 2.71 3c4mB1 THR -313 H -0.27 0.25 0.04 -0.55 8.28 7.75 3c4mB1 THR -313 HA -0.16 0.22 0.97 -0.75 4.39 4.67 3c4mB1 THR -313 HB -0.34 -0.05 0.06 -0.04 4.32 3.94 3c4mB1 THR -313 HG23 -0.61 -0.01 -0.10 -0.04 1.22 0.46 3c4mB1 GLY -312 H -0.15 0.46 0.12 -0.55 8.43 8.31 3c4mB1 GLY -312 HA2 -0.06 0.07 0.36 -0.51 4.01 3.86 3c4mB1 GLY -312 HA3 -0.07 0.10 0.69 -0.51 4.01 4.22 3c4mB1 ILE -311 H -0.21 -0.02 -0.45 -0.55 8.25 7.02 3c4mB1 ILE -311 HA -0.03 0.20 0.56 -0.75 4.18 4.15 3c4mB1 ILE -311 HB -0.14 -0.07 -0.05 -0.04 1.89 1.59 3c4mB1 ILE -311 HG12 -0.15 0.04 -0.13 -0.04 1.49 1.21 3c4mB1 ILE -311 HG13 -0.03 -0.09 -0.07 -0.04 1.21 0.98 3c4mB1 ILE -311 HG23 0.11 0.06 -0.26 -0.04 0.93 0.80 3c4mB1 ILE -311 HD13 -0.02 0.01 -0.05 -0.04 0.88 0.78 3c4mB1 LYS -310 H 0.00 0.20 0.25 -0.55 8.42 8.31 3c4mB1 LYS -310 HA 0.02 0.13 0.65 -0.75 4.32 4.37 3c4mB1 LYS -310 HB2 0.01 0.01 0.05 -0.04 1.87 1.90 3c4mB1 LYS -310 HB3 0.00 0.07 0.12 -0.04 1.79 1.95 3c4mB1 LYS -310 HG2 0.00 0.02 -0.01 -0.04 1.46 1.43 3c4mB1 LYS -310 HG3 0.01 -0.05 -0.43 -0.04 1.46 0.94 3c4mB1 LYS -310 HD2 0.01 -0.04 -0.18 -0.04 1.69 1.44 3c4mB1 LYS -310 HD3 0.01 0.02 -0.10 -0.04 1.68 1.56 3c4mB1 LYS -310 HE2 0.00 0.00 -0.05 -0.04 2.99 2.91 3c4mB1 LYS -310 HE3 0.01 -0.02 -0.05 -0.04 2.99 2.89 3c4mB1 VAL -309 H 0.03 0.23 0.12 -0.55 8.24 8.07 3c4mB1 VAL -309 HA -0.06 0.25 1.01 -0.75 4.13 4.58 3c4mB1 VAL -309 HB -0.01 -0.03 0.16 -0.04 2.12 2.20 3c4mB1 VAL -309 HG13 -0.30 -0.03 -0.24 -0.04 0.97 0.36 3c4mB1 VAL -309 HG23 -0.08 0.02 -0.19 -0.04 0.95 0.66 3c4mB1 THR -308 H -0.02 0.78 0.26 -0.55 8.28 8.74 3c4mB1 THR -308 HA 0.02 0.14 0.89 -0.75 4.39 4.69 3c4mB1 THR -308 HB 0.03 -0.05 0.20 -0.04 4.32 4.46 3c4mB1 THR -308 HG23 0.03 0.01 -0.11 -0.04 1.22 1.10 3c4mB1 VAL -307 H 0.04 0.21 0.14 -0.55 8.24 8.08 3c4mB1 VAL -307 HA 0.08 0.14 0.90 -0.75 4.13 4.50 3c4mB1 VAL -307 HB 0.09 -0.01 -0.03 -0.04 2.12 2.13 3c4mB1 VAL -307 HG13 0.05 -0.00 -0.22 -0.04 0.97 0.76 3c4mB1 VAL -307 HG23 0.13 0.04 -0.02 -0.04 0.95 1.05 3c4mB1 GLU -306 H 0.14 0.73 0.42 -0.55 8.60 9.34 3c4mB1 GLU -306 HA -0.18 0.15 0.76 -0.75 4.29 4.26 3c4mB1 GLU -306 HB2 -0.06 0.00 0.07 -0.04 2.09 2.06 3c4mB1 GLU -306 HB3 -0.28 -0.07 0.09 -0.04 1.99 1.68 3c4mB1 GLU -306 HG2 -0.03 0.09 -0.13 -0.04 2.34 2.23 3c4mB1 GLU -306 HG3 0.11 0.00 -0.41 -0.04 2.34 2.00 3c4mB1 HIS -305 H -0.76 0.16 0.03 -0.55 8.41 7.29 3c4mB1 HIS -305 HA -0.23 0.31 0.96 -0.75 4.63 4.92 3c4mB1 HIS -305 HB2 -0.27 -0.17 0.15 -0.04 3.26 2.93 3c4mB1 HIS -305 HB3 -0.45 0.09 -0.11 -0.04 3.20 2.69 3c4mB1 HIS -305 HD2 -1.11 0.01 -0.15 -0.04 6.97 5.67 3c4mB1 HIS -305 HE1 -0.14 0.02 0.03 -0.04 7.75 7.62 3c4mB1 PRO -304 HA -0.38 0.06 0.33 -0.51 4.44 3.95 3c4mB1 PRO -304 HB2 -0.76 0.02 -0.11 -0.04 2.28 1.39 3c4mB1 PRO -304 HB3 -0.65 0.08 0.06 -0.04 2.02 1.47 3c4mB1 PRO -304 HG2 -2.93 0.06 -0.01 -0.04 2.03 -0.90 3c4mB1 PRO -304 HG3 -1.12 0.06 -0.01 -0.04 2.03 0.92 3c4mB1 PRO -304 HD2 -0.61 0.04 0.02 -0.04 3.68 3.09 3c4mB1 PRO -304 HD3 -0.67 0.13 -0.43 -0.04 3.65 2.64 3c4mB1 ASP -303 H -0.20 0.15 0.17 -0.55 8.40 7.97 3c4mB1 ASP -303 HA -0.08 0.02 0.63 -0.75 4.63 4.44 3c4mB1 ASP -303 HB2 -0.10 0.04 0.10 -0.04 2.71 2.71 3c4mB1 ASP -303 HB3 -0.06 -0.00 0.08 -0.04 2.70 2.67 3c4mB1 LYS -302 H -0.05 0.11 0.19 -0.55 8.42 8.12 3c4mB1 LYS -302 HA -0.10 -0.02 0.36 -0.75 4.32 3.81 3c4mB1 LYS -302 HB2 -0.07 0.15 -0.37 -0.04 1.87 1.53 3c4mB1 LYS -302 HB3 -0.08 -0.05 0.22 -0.04 1.79 1.84 3c4mB1 LYS -302 HG2 -0.05 0.00 0.05 -0.04 1.46 1.42 3c4mB1 LYS -302 HG3 -0.04 -0.04 0.05 -0.04 1.46 1.39 3c4mB1 LYS -302 HD2 -0.03 0.01 -0.07 -0.04 1.69 1.56 3c4mB1 LYS -302 HD3 -0.03 0.05 -0.03 -0.04 1.68 1.63 3c4mB1 LYS -302 HE2 0.00 0.00 0.00 -0.04 2.99 2.95 3c4mB1 LYS -302 HE3 -0.00 -0.02 0.00 -0.04 2.99 2.92 3c4mB1 LEU -301 H -0.12 0.18 -0.16 -0.55 8.37 7.72 3c4mB1 LEU -301 HA -0.15 0.13 0.13 -0.75 4.35 3.71 3c4mB1 LEU -301 HB2 0.04 0.03 -0.01 -0.04 1.64 1.66 3c4mB1 LEU -301 HB3 -0.25 0.20 -0.09 -0.04 1.64 1.46 3c4mB1 LEU -301 HG 0.06 -0.20 -0.00 -0.04 1.64 1.46 3c4mB1 LEU -301 HD13 0.28 0.05 -0.26 -0.04 0.93 0.96 3c4mB1 LEU -301 HD23 0.16 0.02 -0.26 -0.04 0.89 0.77 3c4mB1 GLU -300 H -0.56 -0.00 -0.25 -0.55 8.60 7.24 3c4mB1 GLU -300 HA -0.35 0.14 0.41 -0.75 4.29 3.74 3c4mB1 GLU -300 HB2 -1.21 0.06 0.07 -0.04 2.09 0.96 3c4mB1 GLU -300 HB3 -2.59 -0.06 0.07 -0.04 1.99 -0.63 3c4mB1 GLU -300 HG2 -0.42 0.11 -0.28 -0.04 2.34 1.71 3c4mB1 GLU -300 HG3 -0.75 0.00 -0.04 -0.04 2.34 1.51 3c4mB1 GLU -299 H -0.18 0.21 -0.33 -0.55 8.60 7.75 3c4mB1 GLU -299 HA -0.04 0.16 0.72 -0.75 4.29 4.38 3c4mB1 GLU -299 HB2 -0.07 0.07 0.10 -0.04 2.09 2.14 3c4mB1 GLU -299 HB3 -0.04 0.04 -0.01 -0.04 1.99 1.95 3c4mB1 GLU -299 HG2 -0.04 0.05 -0.02 -0.04 2.34 2.28 3c4mB1 GLU -299 HG3 -0.12 -0.14 -0.09 -0.04 2.34 1.95 3c4mB1 LYS -298 H -0.03 0.42 0.04 -0.55 8.42 8.30 3c4mB1 LYS -298 HA 0.03 0.05 0.45 -0.75 4.32 4.10 3c4mB1 LYS -298 HB2 -0.01 0.02 0.06 -0.04 1.87 1.90 3c4mB1 LYS -298 HB3 0.31 -0.00 -0.10 -0.04 1.79 1.97 3c4mB1 LYS -298 HG2 -0.06 -0.03 -0.05 -0.04 1.46 1.28 3c4mB1 LYS -298 HG3 0.03 -0.01 0.01 -0.04 1.46 1.45 3c4mB1 LYS -298 HD2 -0.05 -0.05 -0.04 -0.04 1.69 1.51 3c4mB1 LYS -298 HD3 -0.11 0.18 -0.08 -0.04 1.68 1.63 3c4mB1 LYS -298 HE2 -0.12 -0.05 -0.02 -0.04 2.99 2.75 3c4mB1 LYS -298 HE3 -0.06 -0.01 -0.03 -0.04 2.99 2.85 3c4mB1 PHE -297 H 0.23 0.44 -0.18 -0.55 8.34 8.28 3c4mB1 PHE -297 HA -0.06 -0.01 0.27 -0.75 4.62 4.07 3c4mB1 PHE -297 HB2 -0.10 0.03 0.08 -0.04 3.15 3.11 3c4mB1 PHE -297 HB3 -0.44 0.08 0.03 -0.04 3.06 2.68 3c4mB1 PHE -297 HD2 -0.98 -0.02 -0.08 -0.04 7.28 6.16 3c4mB1 PHE -297 HE2 -0.42 0.06 -0.13 -0.04 7.38 6.85 3c4mB1 PHE -297 HZ -0.22 0.07 -0.04 -0.04 7.32 7.09 3c4mB1 PRO -296 HA -0.27 0.08 0.46 -0.51 4.44 4.20 3c4mB1 PRO -296 HB2 -0.01 0.06 -0.07 -0.04 2.28 2.22 3c4mB1 PRO -296 HB3 0.02 0.03 0.04 -0.04 2.02 2.07 3c4mB1 PRO -296 HG2 0.13 0.04 0.06 -0.04 2.03 2.22 3c4mB1 PRO -296 HG3 0.33 -0.01 0.01 -0.04 2.03 2.32 3c4mB1 PRO -296 HD2 0.04 0.25 -0.47 -0.04 3.68 3.46 3c4mB1 PRO -296 HD3 0.09 0.08 -0.05 -0.04 3.65 3.72 3c4mB1 GLN -295 H -0.05 0.32 -0.30 -0.55 8.47 7.89 3c4mB1 GLN -295 HA -0.06 0.08 0.58 -0.75 4.36 4.20 3c4mB1 GLN -295 HB2 -0.02 0.08 0.10 -0.04 2.15 2.27 3c4mB1 GLN -295 HB3 -0.03 -0.05 0.06 -0.04 2.02 1.95 3c4mB1 GLN -295 HG2 -0.03 -0.04 0.01 -0.04 2.40 2.29 3c4mB1 GLN -295 HG3 -0.02 0.26 0.10 -0.04 2.39 2.69 3c4mB1 GLN -295 HE21 -0.02 -0.05 -0.03 -0.04 6.97 6.83 3c4mB1 GLN -295 HE22 -0.02 0.02 -0.00 -0.04 7.69 7.64 3c4mB1 VAL -294 H -0.11 0.34 -0.20 -0.55 8.24 7.72 3c4mB1 VAL -294 HA -0.05 0.09 0.46 -0.75 4.13 3.87 3c4mB1 VAL -294 HB 0.07 0.33 -0.01 -0.04 2.12 2.47 3c4mB1 VAL -294 HG13 0.02 -0.04 -0.49 -0.04 0.97 0.42 3c4mB1 VAL -294 HG23 0.07 -0.03 -0.09 -0.04 0.95 0.85 3c4mB1 ALA -293 H -0.38 0.59 0.11 -0.55 8.40 8.16 3c4mB1 ALA -293 HA -0.32 0.33 0.37 -0.75 4.34 3.97 3c4mB1 ALA -293 HB3 -0.81 -0.02 0.08 -0.04 1.41 0.62 3c4mB1 ALA -292 H -0.19 0.17 -0.24 -0.55 8.40 7.59 3c4mB1 ALA -292 HA -0.12 0.11 0.39 -0.75 4.34 3.97 3c4mB1 ALA -292 HB3 -0.09 0.02 0.03 -0.04 1.41 1.33 3c4mB1 THR -291 H -0.10 0.24 -0.38 -0.55 8.28 7.50 3c4mB1 THR -291 HA -0.05 0.08 0.54 -0.75 4.39 4.21 3c4mB1 THR -291 HB -0.04 -0.05 0.11 -0.04 4.32 4.31 3c4mB1 THR -291 HG23 -0.05 -0.00 0.04 -0.04 1.22 1.17 3c4mB1 GLY -290 H -0.10 0.41 -0.30 -0.55 8.43 7.89 3c4mB1 GLY -290 HA2 -0.07 0.06 0.30 -0.51 4.01 3.79 3c4mB1 GLY -290 HA3 -0.05 0.10 0.79 -0.51 4.01 4.34 3c4mB1 ASP -289 H -0.06 0.07 -0.13 -0.55 8.40 7.73 3c4mB1 ASP -289 HA -0.03 0.10 0.66 -0.75 4.63 4.61 3c4mB1 ASP -289 HB2 -0.01 0.05 -0.02 -0.04 2.71 2.69 3c4mB1 ASP -289 HB3 0.05 -0.12 0.05 -0.04 2.70 2.64 3c4mB1 GLY -288 H -0.01 0.00 0.00 -0.55 8.43 7.88 3c4mB1 GLY -288 HA2 -0.77 -0.08 0.27 -0.51 4.01 2.92 3c4mB1 GLY -288 HA3 -0.36 0.20 0.63 -0.51 4.01 3.97 3c4mB1 PRO -287 HA -0.37 0.06 0.04 -0.51 4.44 3.65 3c4mB1 PRO -287 HB2 -0.40 0.06 -0.03 -0.04 2.28 1.88 3c4mB1 PRO -287 HB3 -1.21 -0.03 -0.18 -0.04 2.02 0.55 3c4mB1 PRO -287 HG2 -0.56 0.02 -0.34 -0.04 2.03 1.11 3c4mB1 PRO -287 HG3 -1.07 -0.03 -0.04 -0.04 2.03 0.85 3c4mB1 PRO -287 HD2 -0.54 0.14 0.02 -0.04 3.68 3.27 3c4mB1 PRO -287 HD3 -3.12 0.05 0.10 -0.04 3.65 0.64 3c4mB1 ASP -286 H -0.16 0.32 0.35 -0.55 8.40 8.37 3c4mB1 ASP -286 HA -0.08 0.13 0.84 -0.75 4.63 4.76 3c4mB1 ASP -286 HB2 -0.09 0.04 0.25 -0.04 2.71 2.88 3c4mB1 ASP -286 HB3 -0.05 -0.06 0.13 -0.04 2.70 2.67 3c4mB1 ILE -285 H -0.13 0.39 0.27 -0.55 8.25 8.23 3c4mB1 ILE -285 HA -0.08 0.37 1.06 -0.75 4.18 4.79 3c4mB1 ILE -285 HB 0.03 -0.08 0.09 -0.04 1.89 1.89 3c4mB1 ILE -285 HG12 -0.02 0.09 -0.14 -0.04 1.49 1.39 3c4mB1 ILE -285 HG13 -0.06 -0.13 -0.50 -0.04 1.21 0.48 3c4mB1 ILE -285 HG23 -0.04 0.01 -0.21 -0.04 0.93 0.65 3c4mB1 ILE -285 HD13 -0.03 -0.02 -0.10 -0.04 0.88 0.69 3c4mB1 ILE -284 H -0.14 0.69 0.27 -0.55 8.25 8.51 3c4mB1 ILE -284 HA 0.04 0.11 1.02 -0.75 4.18 4.59 3c4mB1 ILE -284 HB -0.83 0.02 -0.06 -0.04 1.89 0.99 3c4mB1 ILE -284 HG12 -0.49 -0.03 -0.21 -0.04 1.49 0.72 3c4mB1 ILE -284 HG13 0.04 0.10 -0.33 -0.04 1.21 0.98 3c4mB1 ILE -284 HG23 -0.53 0.01 -0.03 -0.04 0.93 0.34 3c4mB1 ILE -284 HD13 -0.28 -0.02 -0.10 -0.04 0.88 0.43 3c4mB1 PHE -283 H 0.46 0.73 0.36 -0.55 8.34 9.34 3c4mB1 PHE -283 HA 0.26 0.40 1.21 -0.75 4.62 5.74 3c4mB1 PHE -283 HB2 0.15 0.01 0.33 -0.04 3.15 3.61 3c4mB1 PHE -283 HB3 0.11 -0.10 -0.00 -0.04 3.06 3.02 3c4mB1 PHE -283 HD2 0.09 0.03 -0.17 -0.04 7.28 7.18 3c4mB1 PHE -283 HE2 0.09 -0.00 -0.17 -0.04 7.38 7.26 3c4mB1 PHE -283 HZ 0.14 0.01 -0.13 -0.04 7.32 7.30 3c4mB1 TRP -282 H 0.53 0.73 0.36 -0.55 7.97 9.04 3c4mB1 TRP -282 HA 0.10 -0.05 0.36 -0.75 4.62 4.28 3c4mB1 TRP -282 HB2 0.08 0.09 -0.12 -0.04 3.23 3.24 3c4mB1 TRP -282 HB3 0.14 0.10 -0.07 -0.04 3.23 3.36 3c4mB1 TRP -282 HD1 -0.02 0.18 0.03 -0.04 7.22 7.36 3c4mB1 TRP -282 HE1 -0.17 0.01 0.01 -0.04 10.20 10.01 3c4mB1 TRP -282 HE3 0.01 0.23 0.13 -0.04 7.59 7.93 3c4mB1 TRP -282 HZ2 -0.22 0.03 0.02 -0.04 7.44 7.23 3c4mB1 TRP -282 HZ3 -0.09 -0.05 0.06 -0.04 7.13 7.01 3c4mB1 TRP -282 HH2 -0.15 -0.02 0.05 -0.04 7.19 7.03 3c4mB1 ALA -281 H -1.06 0.06 0.14 -0.55 8.40 6.99 3c4mB1 ALA -281 HA 0.01 0.14 0.41 -0.75 4.34 4.15 3c4mB1 ALA -281 HB3 -0.21 -0.01 0.08 -0.04 1.41 1.23 3c4mB1 HIS -280 H 0.33 0.21 0.25 -0.55 8.41 8.65 3c4mB1 HIS -280 HA 0.21 0.08 0.29 -0.75 4.63 4.45 3c4mB1 HIS -280 HB2 0.03 0.21 -0.01 -0.04 3.26 3.46 3c4mB1 HIS -280 HB3 -0.00 0.09 0.14 -0.04 3.20 3.38 3c4mB1 HIS -280 HD2 0.08 0.16 -0.09 -0.04 6.97 7.07 3c4mB1 HIS -280 HE1 0.09 0.27 0.31 -0.04 7.75 8.38 3c4mB1 ASP -279 H -0.35 -0.02 -0.29 -0.55 8.40 7.18 3c4mB1 ASP -279 HA -0.23 0.20 0.41 -0.75 4.63 4.26 3c4mB1 ASP -279 HB2 -0.01 0.05 0.07 -0.04 2.71 2.78 3c4mB1 ASP -279 HB3 -0.26 0.02 0.07 -0.04 2.70 2.50 3c4mB1 ARG -278 H 0.18 0.29 -0.30 -0.55 8.46 8.08 3c4mB1 ARG -278 HA -0.23 0.07 0.45 -0.75 4.34 3.88 3c4mB1 ARG -278 HB2 -0.19 0.10 -0.01 -0.04 1.90 1.75 3c4mB1 ARG -278 HB3 -0.89 0.03 0.04 -0.04 1.80 0.93 3c4mB1 ARG -278 HG2 0.08 -0.07 -0.07 -0.04 1.67 1.56 3c4mB1 ARG -278 HG3 -0.72 -0.06 -0.00 -0.04 1.67 0.85 3c4mB1 ARG -278 HD2 -0.37 0.07 -0.02 -0.04 3.22 2.85 3c4mB1 ARG -278 HD3 -0.24 0.02 0.01 -0.04 3.22 2.97 3c4mB1 PHE -277 H 0.18 0.57 -0.27 -0.55 8.34 8.27 3c4mB1 PHE -277 HA -0.20 0.00 0.26 -0.75 4.62 3.94 3c4mB1 PHE -277 HB2 0.03 0.23 0.09 -0.04 3.15 3.46 3c4mB1 PHE -277 HB3 0.04 0.03 -0.06 -0.04 3.06 3.03 3c4mB1 PHE -277 HD2 0.13 0.06 -0.07 -0.04 7.28 7.35 3c4mB1 PHE -277 HE2 0.12 -0.00 -0.09 -0.04 7.38 7.38 3c4mB1 PHE -277 HZ 0.05 0.15 -0.06 -0.04 7.32 7.42 3c4mB1 GLY -276 H -0.10 0.35 -0.08 -0.55 8.43 8.05 3c4mB1 GLY -276 HA2 -0.79 0.03 0.50 -0.51 4.01 3.24 3c4mB1 GLY -276 HA3 -0.43 0.38 0.32 -0.51 4.01 3.77 3c4mB1 GLY -275 H -0.27 0.24 -0.26 -0.55 8.43 7.60 3c4mB1 GLY -275 HA2 -0.13 0.02 0.54 -0.51 4.01 3.93 3c4mB1 GLY -275 HA3 -0.20 0.08 0.32 -0.51 4.01 3.70 3c4mB1 TYR -274 H -0.36 0.32 -0.13 -0.55 8.29 7.57 3c4mB1 TYR -274 HA -0.02 0.06 0.35 -0.75 4.56 4.20 3c4mB1 TYR -274 HB2 -0.04 0.11 0.05 -0.04 3.06 3.14 3c4mB1 TYR -274 HB3 0.12 -0.03 -0.08 -0.04 2.98 2.94 3c4mB1 TYR -274 HD2 -0.48 -0.00 -0.12 -0.04 7.15 6.51 3c4mB1 TYR -274 HE2 -0.45 0.00 -0.07 -0.04 6.85 6.30 3c4mB1 ALA -273 H -0.02 0.56 -0.19 -0.55 8.40 8.20 3c4mB1 ALA -273 HA 0.09 -0.03 0.51 -0.75 4.34 4.15 3c4mB1 ALA -273 HB3 -0.05 0.03 0.11 -0.04 1.41 1.46 3c4mB1 GLN -272 H -0.14 0.55 -0.08 -0.55 8.47 8.26 3c4mB1 GLN -272 HA 0.10 0.05 0.47 -0.75 4.36 4.22 3c4mB1 GLN -272 HB2 -0.01 0.05 0.19 -0.04 2.15 2.35 3c4mB1 GLN -272 HB3 -0.01 0.03 0.14 -0.04 2.02 2.13 3c4mB1 GLN -272 HG2 0.08 -0.08 0.05 -0.04 2.40 2.41 3c4mB1 GLN -272 HG3 0.04 0.01 0.00 -0.04 2.39 2.41 3c4mB1 GLN -272 HE21 0.06 -0.01 0.07 -0.04 6.97 7.05 3c4mB1 GLN -272 HE22 0.05 0.01 0.09 -0.04 7.69 7.79 3c4mB1 SER -271 H 0.02 0.38 -0.31 -0.55 8.46 8.00 3c4mB1 SER -271 HA 0.01 0.08 0.63 -0.75 4.49 4.46 3c4mB1 SER -271 HB2 0.04 0.02 0.08 -0.04 3.95 4.05 3c4mB1 SER -271 HB3 -0.01 -0.02 0.11 -0.04 3.93 3.96 3c4mB1 GLY -270 H 0.04 0.34 -0.49 -0.55 8.43 7.78 3c4mB1 GLY -270 HA2 0.04 0.06 0.34 -0.51 4.01 3.93 3c4mB1 GLY -270 HA3 0.01 0.04 0.41 -0.51 4.01 3.96 3c4mB1 LEU -269 H 0.06 0.52 0.10 -0.55 8.37 8.51 3c4mB1 LEU -269 HA -0.06 0.19 0.67 -0.75 4.35 4.39 3c4mB1 LEU -269 HB2 0.10 -0.02 -0.01 -0.04 1.64 1.67 3c4mB1 LEU -269 HB3 -0.25 -0.10 0.05 -0.04 1.64 1.30 3c4mB1 LEU -269 HG -0.03 0.05 -0.29 -0.04 1.64 1.32 3c4mB1 LEU -269 HD13 -0.13 -0.04 -0.05 -0.04 0.93 0.67 3c4mB1 LEU -269 HD23 -0.23 0.02 -0.12 -0.04 0.89 0.53 3c4mB1 LEU -268 H 0.09 0.16 -0.05 -0.55 8.37 8.02 3c4mB1 LEU -268 HA 0.13 0.22 1.08 -0.75 4.35 5.03 3c4mB1 LEU -268 HB2 0.14 -0.03 0.02 -0.04 1.64 1.74 3c4mB1 LEU -268 HB3 0.16 0.17 0.09 -0.04 1.64 2.01 3c4mB1 LEU -268 HG 0.25 -0.15 -0.37 -0.04 1.64 1.33 3c4mB1 LEU -268 HD13 0.36 0.05 0.00 -0.04 0.93 1.29 3c4mB1 LEU -268 HD23 0.22 -0.01 -0.16 -0.04 0.89 0.90 3c4mB1 ALA -267 H 0.08 0.74 0.15 -0.55 8.40 8.82 3c4mB1 ALA -267 HA 0.04 0.07 0.59 -0.75 4.34 4.29 3c4mB1 ALA -267 HB3 0.04 0.00 -0.06 -0.04 1.41 1.35 3c4mB1 GLU -266 H 0.03 0.09 0.14 -0.55 8.60 8.31 3c4mB1 GLU -266 HA 0.03 0.15 0.64 -0.75 4.29 4.35 3c4mB1 GLU -266 HB2 0.01 0.07 0.05 -0.04 2.09 2.18 3c4mB1 GLU -266 HB3 0.02 0.02 0.11 -0.04 1.99 2.11 3c4mB1 GLU -266 HG2 0.02 -0.03 0.12 -0.04 2.34 2.40 3c4mB1 GLU -266 HG3 0.01 -0.04 -0.07 -0.04 2.34 2.20 3c4mB1 ILE -265 H -0.01 0.33 0.19 -0.55 8.25 8.20 3c4mB1 ILE -265 HA 0.02 0.13 0.88 -0.75 4.18 4.44 3c4mB1 ILE -265 HB -0.27 -0.08 -0.04 -0.04 1.89 1.45 3c4mB1 ILE -265 HG12 -0.11 0.03 -0.32 -0.04 1.49 1.05 3c4mB1 ILE -265 HG13 -0.15 0.03 -0.10 -0.04 1.21 0.95 3c4mB1 ILE -265 HG23 -0.01 0.03 -0.20 -0.04 0.93 0.71 3c4mB1 ILE -265 HD13 -0.49 -0.03 -0.27 -0.04 0.88 0.05 3c4mB1 THR -264 H 0.01 0.08 -0.01 -0.55 8.28 7.81 3c4mB1 THR -264 HA -0.05 0.26 0.76 -0.75 4.39 4.61 3c4mB1 THR -264 HB -0.00 -0.06 0.16 -0.04 4.32 4.38 3c4mB1 THR -264 HG23 -0.02 0.01 -0.04 -0.04 1.22 1.13 3c4mB1 PRO -263 HA -0.00 0.02 0.54 -0.51 4.44 4.48 3c4mB1 PRO -263 HB2 0.35 0.04 -0.04 -0.04 2.28 2.59 3c4mB1 PRO -263 HB3 0.28 0.00 0.03 -0.04 2.02 2.29 3c4mB1 PRO -263 HG2 -0.34 0.05 0.02 -0.04 2.03 1.72 3c4mB1 PRO -263 HG3 -0.08 0.05 -0.04 -0.04 2.03 1.93 3c4mB1 PRO -263 HD2 -0.16 0.25 -0.11 -0.04 3.68 3.62 3c4mB1 PRO -263 HD3 -0.17 -0.02 -0.30 -0.04 3.65 3.12 3c4mB1 ASP -262 H 0.04 0.05 0.19 -0.55 8.40 8.13 3c4mB1 ASP -262 HA -0.02 0.24 0.55 -0.75 4.63 4.64 3c4mB1 ASP -262 HB2 0.01 -0.06 0.21 -0.04 2.71 2.83 3c4mB1 ASP -262 HB3 0.01 0.14 0.14 -0.04 2.70 2.94 3c4mB1 LYS -261 H -0.01 0.18 0.17 -0.55 8.42 8.21 3c4mB1 LYS -261 HA -0.06 0.15 0.39 -0.75 4.32 4.04 3c4mB1 LYS -261 HB2 -0.03 0.08 0.12 -0.04 1.87 2.00 3c4mB1 LYS -261 HB3 -0.01 -0.04 0.17 -0.04 1.79 1.87 3c4mB1 LYS -261 HG2 -0.01 0.03 -0.01 -0.04 1.46 1.43 3c4mB1 LYS -261 HG3 -0.00 -0.00 -0.27 -0.04 1.46 1.14 3c4mB1 LYS -261 HD2 -0.01 0.01 -0.04 -0.04 1.69 1.61 3c4mB1 LYS -261 HD3 -0.05 -0.02 0.06 -0.04 1.68 1.64 3c4mB1 LYS -261 HE2 -0.04 0.01 0.01 -0.04 2.99 2.93 3c4mB1 LYS -261 HE3 -0.02 0.01 -0.01 -0.04 2.99 2.94 3c4mB1 ALA -260 H 0.04 0.08 -0.06 -0.55 8.40 7.91 3c4mB1 ALA -260 HA 0.04 0.12 0.41 -0.75 4.34 4.15 3c4mB1 ALA -260 HB3 0.05 0.02 0.05 -0.04 1.41 1.49 3c4mB1 PHE -259 H 0.21 0.04 -0.35 -0.55 8.34 7.69 3c4mB1 PHE -259 HA 0.09 0.12 0.55 -0.75 4.62 4.63 3c4mB1 PHE -259 HB2 0.08 -0.05 0.06 -0.04 3.15 3.20 3c4mB1 PHE -259 HB3 0.10 0.07 0.04 -0.04 3.06 3.22 3c4mB1 PHE -259 HD2 0.24 0.01 -0.08 -0.04 7.28 7.41 3c4mB1 PHE -259 HE2 0.40 0.15 0.03 -0.04 7.38 7.93 3c4mB1 PHE -259 HZ 0.05 0.02 -0.01 -0.04 7.32 7.33 3c4mB1 GLN -258 H 0.11 0.46 -0.13 -0.55 8.47 8.35 3c4mB1 GLN -258 HA 0.41 0.03 0.39 -0.75 4.36 4.43 3c4mB1 GLN -258 HB2 -0.18 0.04 0.11 -0.04 2.15 2.09 3c4mB1 GLN -258 HB3 -0.54 -0.02 -0.01 -0.04 2.02 1.41 3c4mB1 GLN -258 HG2 -1.33 -0.06 -0.03 -0.04 2.40 0.94 3c4mB1 GLN -258 HG3 -0.27 0.21 -0.15 -0.04 2.39 2.13 3c4mB1 GLN -258 HE21 -0.26 -0.05 -0.05 -0.04 6.97 6.57 3c4mB1 GLN -258 HE22 -0.23 0.12 -0.21 -0.04 7.69 7.33 3c4mB1 ASP -257 H 0.03 0.45 -0.22 -0.55 8.40 8.12 3c4mB1 ASP -257 HA 0.06 0.06 0.45 -0.75 4.63 4.44 3c4mB1 ASP -257 HB2 0.02 0.11 0.11 -0.04 2.71 2.90 3c4mB1 ASP -257 HB3 0.01 -0.05 0.03 -0.04 2.70 2.64 3c4mB1 LYS -256 H -0.04 0.35 -0.56 -0.55 8.42 7.62 3c4mB1 LYS -256 HA -0.09 0.04 0.61 -0.75 4.32 4.12 3c4mB1 LYS -256 HB2 -0.32 0.24 0.13 -0.04 1.87 1.88 3c4mB1 LYS -256 HB3 -0.17 -0.17 0.14 -0.04 1.79 1.55 3c4mB1 LYS -256 HG2 -0.05 -0.04 0.01 -0.04 1.46 1.34 3c4mB1 LYS -256 HG3 -0.05 0.17 0.13 -0.04 1.46 1.68 3c4mB1 LYS -256 HD2 -0.05 -0.11 0.06 -0.04 1.69 1.55 3c4mB1 LYS -256 HD3 0.00 -0.02 0.02 -0.04 1.68 1.64 3c4mB1 LYS -256 HE2 0.07 -0.01 0.05 -0.04 2.99 3.06 3c4mB1 LYS -256 HE3 -0.17 0.05 0.07 -0.04 2.99 2.90 3c4mB1 LEU -255 H 0.06 0.46 -0.25 -0.55 8.37 8.09 3c4mB1 LEU -255 HA -0.30 0.15 0.91 -0.75 4.35 4.36 3c4mB1 LEU -255 HB2 -0.58 0.07 -0.03 -0.04 1.64 1.05 3c4mB1 LEU -255 HB3 -0.59 -0.08 -0.06 -0.04 1.64 0.87 3c4mB1 LEU -255 HG -0.36 0.09 -0.10 -0.04 1.64 1.24 3c4mB1 LEU -255 HD13 -0.89 -0.01 -0.06 -0.04 0.93 -0.07 3c4mB1 LEU -255 HD23 -0.30 -0.02 -0.34 -0.04 0.89 0.19 3c4mB1 TYR -254 H -0.23 0.41 0.21 -0.55 8.29 8.12 3c4mB1 TYR -254 HA 0.04 0.16 0.48 -0.75 4.56 4.48 3c4mB1 TYR -254 HB2 -0.26 -0.08 0.15 -0.04 3.06 2.83 3c4mB1 TYR -254 HB3 0.14 -0.10 0.03 -0.04 2.98 3.01 3c4mB1 TYR -254 HD2 0.02 0.01 0.05 -0.04 7.15 7.19 3c4mB1 TYR -254 HE2 0.04 0.05 -0.08 -0.04 6.85 6.82 3c4mB1 PRO -253 HA 0.38 0.11 0.37 -0.51 4.44 4.79 3c4mB1 PRO -253 HB2 0.20 0.00 0.05 -0.04 2.28 2.50 3c4mB1 PRO -253 HB3 0.17 0.05 0.09 -0.04 2.02 2.29 3c4mB1 PRO -253 HG2 0.16 0.04 0.10 -0.04 2.03 2.28 3c4mB1 PRO -253 HG3 0.17 0.12 0.12 -0.04 2.03 2.39 3c4mB1 PRO -253 HD2 0.31 0.05 0.21 -0.04 3.68 4.21 3c4mB1 PRO -253 HD3 0.19 0.25 0.27 -0.04 3.65 4.33 3c4mB1 PHE -252 H 0.38 0.13 -0.26 -0.55 8.34 8.04 3c4mB1 PHE -252 HA 0.06 0.10 0.40 -0.75 4.62 4.44 3c4mB1 PHE -252 HB2 0.01 0.05 0.04 -0.04 3.15 3.22 3c4mB1 PHE -252 HB3 0.03 0.02 0.04 -0.04 3.06 3.11 3c4mB1 PHE -252 HD2 -0.02 -0.02 -0.11 -0.04 7.28 7.09 3c4mB1 PHE -252 HE2 -0.20 0.02 -0.11 -0.04 7.38 7.05 3c4mB1 PHE -252 HZ -0.10 0.02 -0.10 -0.04 7.32 7.10 3c4mB1 THR -251 H -0.62 0.26 -0.25 -0.55 8.28 7.11 3c4mB1 THR -251 HA -0.51 0.05 0.54 -0.75 4.39 3.72 3c4mB1 THR -251 HB -0.44 -0.09 -0.03 -0.04 4.32 3.72 3c4mB1 THR -251 HG23 -0.77 -0.02 -0.08 -0.04 1.22 0.32 3c4mB1 TRP -250 H -0.04 0.34 -0.26 -0.55 7.97 7.47 3c4mB1 TRP -250 HA -0.06 0.05 0.45 -0.75 4.62 4.31 3c4mB1 TRP -250 HB2 -0.02 0.16 0.11 -0.04 3.23 3.44 3c4mB1 TRP -250 HB3 -0.02 -0.02 -0.05 -0.04 3.23 3.09 3c4mB1 TRP -250 HD1 -0.03 0.00 -0.18 -0.04 7.22 6.97 3c4mB1 TRP -250 HE1 -0.09 0.50 0.18 -0.04 10.20 10.75 3c4mB1 TRP -250 HE3 -0.06 -0.01 0.05 -0.04 7.59 7.53 3c4mB1 TRP -250 HZ2 -0.08 0.04 -0.12 -0.04 7.44 7.24 3c4mB1 TRP -250 HZ3 -0.17 0.06 0.05 -0.04 7.13 7.03 3c4mB1 TRP -250 HH2 0.41 -0.05 -0.05 -0.04 7.19 7.46 3c4mB1 ASP -249 H 0.17 0.46 -0.11 -0.55 8.40 8.36 3c4mB1 ASP -249 HA 0.13 0.02 0.41 -0.75 4.63 4.43 3c4mB1 ASP -249 HB2 0.13 0.14 0.16 -0.04 2.71 3.10 3c4mB1 ASP -249 HB3 0.11 -0.02 0.01 -0.04 2.70 2.76 3c4mB1 ALA -248 H -0.03 0.30 -0.47 -0.55 8.40 7.66 3c4mB1 ALA -248 HA -0.03 0.05 0.34 -0.75 4.34 3.95 3c4mB1 ALA -248 HB3 -0.44 0.02 0.08 -0.04 1.41 1.02 3c4mB1 VAL -247 H 0.05 0.37 -0.41 -0.55 8.24 7.70 3c4mB1 VAL -247 HA 0.08 0.12 0.70 -0.75 4.13 4.28 3c4mB1 VAL -247 HB -0.02 -0.16 0.12 -0.04 2.12 2.02 3c4mB1 VAL -247 HG13 -0.13 -0.03 -0.30 -0.04 0.97 0.47 3c4mB1 VAL -247 HG23 0.12 0.06 0.03 -0.04 0.95 1.12 3c4mB1 ARG -246 H 0.13 0.38 -0.43 -0.55 8.46 7.99 3c4mB1 ARG -246 HA 0.11 0.24 0.75 -0.75 4.34 4.69 3c4mB1 ARG -246 HB2 0.12 0.12 0.00 -0.04 1.90 2.10 3c4mB1 ARG -246 HB3 0.11 -0.01 0.05 -0.04 1.80 1.91 3c4mB1 ARG -246 HG2 0.05 -0.18 -0.39 -0.04 1.67 1.11 3c4mB1 ARG -246 HG3 0.05 0.01 -0.42 -0.04 1.67 1.27 3c4mB1 ARG -246 HD2 0.05 -0.04 -0.10 -0.04 3.22 3.09 3c4mB1 ARG -246 HD3 0.02 0.04 -0.15 -0.04 3.22 3.09 3c4mB1 TYR -245 H 0.17 0.94 0.23 -0.55 8.29 9.07 3c4mB1 TYR -245 HA 0.07 0.08 0.88 -0.75 4.56 4.83 3c4mB1 TYR -245 HB2 0.08 0.02 -0.20 -0.04 3.06 2.93 3c4mB1 TYR -245 HB3 0.07 0.06 0.05 -0.04 2.98 3.11 3c4mB1 TYR -245 HD2 0.05 0.02 -0.06 -0.04 7.15 7.12 3c4mB1 TYR -245 HE2 0.01 -0.04 -0.02 -0.04 6.85 6.76 3c4mB1 ASN -244 H -0.32 0.16 0.10 -0.55 8.53 7.93 3c4mB1 ASN -244 HA -0.20 0.04 0.33 -0.75 4.76 4.17 3c4mB1 ASN -244 HB2 -0.32 0.15 0.07 -0.04 2.88 2.73 3c4mB1 ASN -244 HB3 -0.19 0.03 0.23 -0.04 2.79 2.82 3c4mB1 ASN -244 HD21 -0.27 -0.02 0.02 -0.04 7.03 6.72 3c4mB1 ASN -244 HD22 -0.21 0.05 0.01 -0.04 7.74 7.55 3c4mB1 GLY -243 H -0.04 0.08 -0.23 -0.55 8.43 7.69 3c4mB1 GLY -243 HA2 -0.01 -0.00 0.23 -0.51 4.01 3.72 3c4mB1 GLY -243 HA3 -0.03 0.12 0.44 -0.51 4.01 4.03 3c4mB1 LYS -242 H 0.01 0.37 -0.68 -0.55 8.42 7.56 3c4mB1 LYS -242 HA -0.00 0.14 0.82 -0.75 4.32 4.52 3c4mB1 LYS -242 HB2 0.08 0.10 0.04 -0.04 1.87 2.04 3c4mB1 LYS -242 HB3 0.04 0.05 -0.02 -0.04 1.79 1.82 3c4mB1 LYS -242 HG2 -0.00 0.10 -0.11 -0.04 1.46 1.41 3c4mB1 LYS -242 HG3 0.03 -0.01 -0.00 -0.04 1.46 1.43 3c4mB1 LYS -242 HD2 0.00 0.00 0.02 -0.04 1.69 1.67 3c4mB1 LYS -242 HD3 -0.01 0.02 -0.09 -0.04 1.68 1.56 3c4mB1 LYS -242 HE2 -0.01 0.03 -0.01 -0.04 2.99 2.96 3c4mB1 LYS -242 HE3 0.01 -0.01 0.00 -0.04 2.99 2.94 3c4mB1 LEU -241 H -0.02 0.16 0.18 -0.55 8.37 8.14 3c4mB1 LEU -241 HA 0.07 0.20 0.83 -0.75 4.35 4.69 3c4mB1 LEU -241 HB2 -0.09 0.04 0.20 -0.04 1.64 1.75 3c4mB1 LEU -241 HB3 0.00 0.02 0.07 -0.04 1.64 1.70 3c4mB1 LEU -241 HG -0.09 -0.03 -0.00 -0.04 1.64 1.47 3c4mB1 LEU -241 HD13 -0.53 -0.00 0.00 -0.04 0.93 0.36 3c4mB1 LEU -241 HD23 0.19 -0.00 -0.08 -0.04 0.89 0.95 3c4mB1 ILE -240 H 0.07 0.66 0.38 -0.55 8.25 8.80 3c4mB1 ILE -240 HA 0.06 0.17 0.89 -0.75 4.18 4.54 3c4mB1 ILE -240 HB 0.15 -0.06 0.10 -0.04 1.89 2.04 3c4mB1 ILE -240 HG12 0.15 0.24 -0.04 -0.04 1.49 1.79 3c4mB1 ILE -240 HG13 0.08 -0.03 -0.19 -0.04 1.21 1.02 3c4mB1 ILE -240 HG23 0.17 0.02 -0.17 -0.04 0.93 0.92 3c4mB1 ILE -240 HD13 0.15 -0.02 -0.24 -0.04 0.88 0.73 3c4mB1 ALA -239 H -0.02 0.29 0.17 -0.55 8.40 8.29 3c4mB1 ALA -239 HA -0.07 0.11 0.54 -0.75 4.34 4.16 3c4mB1 ALA -239 HB3 -0.42 0.01 -0.22 -0.04 1.41 0.74 3c4mB1 TYR -238 H 0.09 0.59 0.27 -0.55 8.29 8.69 3c4mB1 TYR -238 HA 0.05 0.21 0.87 -0.75 4.56 4.94 3c4mB1 TYR -238 HB2 -0.06 -0.06 0.15 -0.04 3.06 3.04 3c4mB1 TYR -238 HB3 -0.01 0.11 -0.04 -0.04 2.98 3.00 3c4mB1 TYR -238 HD2 0.26 0.09 -0.01 -0.04 7.15 7.45 3c4mB1 TYR -238 HE2 0.01 -0.01 -0.07 -0.04 6.85 6.74 3c4mB1 PRO -237 HA -0.18 0.08 0.53 -0.51 4.44 4.36 3c4mB1 PRO -237 HB2 -0.40 -0.08 -0.14 -0.04 2.28 1.62 3c4mB1 PRO -237 HB3 -0.32 0.19 -0.04 -0.04 2.02 1.81 3c4mB1 PRO -237 HG2 -1.14 -0.01 -0.10 -0.04 2.03 0.74 3c4mB1 PRO -237 HG3 -0.79 0.11 -0.35 -0.04 2.03 0.95 3c4mB1 PRO -237 HD2 -0.83 0.07 0.16 -0.04 3.68 3.05 3c4mB1 PRO -237 HD3 -0.46 0.28 0.20 -0.04 3.65 3.63 3c4mB1 ILE -236 H -0.08 0.50 0.30 -0.55 8.25 8.42 3c4mB1 ILE -236 HA -0.03 0.16 0.90 -0.75 4.18 4.46 3c4mB1 ILE -236 HB 0.09 0.07 0.01 -0.04 1.89 2.01 3c4mB1 ILE -236 HG12 0.00 0.08 -0.22 -0.04 1.49 1.31 3c4mB1 ILE -236 HG13 0.29 -0.07 -0.27 -0.04 1.21 1.11 3c4mB1 ILE -236 HG23 0.13 -0.02 -0.16 -0.04 0.93 0.83 3c4mB1 ILE -236 HD13 0.08 0.03 -0.19 -0.04 0.88 0.76 3c4mB1 ALA -235 H -0.02 0.35 0.28 -0.55 8.40 8.47 3c4mB1 ALA -235 HA -0.00 0.09 0.67 -0.75 4.34 4.34 3c4mB1 ALA -235 HB3 0.04 0.03 -0.36 -0.04 1.41 1.08 3c4mB1 VAL -234 H 0.04 0.88 0.21 -0.55 8.24 8.82 3c4mB1 VAL -234 HA 0.07 0.20 0.99 -0.75 4.13 4.64 3c4mB1 VAL -234 HB 0.12 -0.03 0.17 -0.04 2.12 2.34 3c4mB1 VAL -234 HG13 0.21 0.01 -0.16 -0.04 0.97 0.98 3c4mB1 VAL -234 HG23 0.04 0.01 -0.09 -0.04 0.95 0.86 3c4mB1 GLU -233 H 0.14 0.83 0.46 -0.55 8.60 9.48 3c4mB1 GLU -233 HA 0.11 0.13 1.00 -0.75 4.29 4.78 3c4mB1 GLU -233 HB2 0.30 -0.09 0.06 -0.04 2.09 2.32 3c4mB1 GLU -233 HB3 0.44 -0.03 0.06 -0.04 1.99 2.42 3c4mB1 GLU -233 HG2 0.17 0.23 -0.11 -0.04 2.34 2.59 3c4mB1 GLU -233 HG3 0.11 0.03 -0.03 -0.04 2.34 2.40 3c4mB1 ALA -232 H 0.07 0.29 0.23 -0.55 8.40 8.44 3c4mB1 ALA -232 HA 0.18 0.12 0.49 -0.75 4.34 4.37 3c4mB1 ALA -232 HB3 0.10 0.06 -0.04 -0.04 1.41 1.49 3c4mB1 LEU -231 H 0.02 0.14 0.04 -0.55 8.37 8.03 3c4mB1 LEU -231 HA -0.07 0.05 0.48 -0.75 4.35 4.06 3c4mB1 LEU -231 HB2 -0.07 0.02 0.03 -0.04 1.64 1.58 3c4mB1 LEU -231 HB3 -0.03 0.07 -0.07 -0.04 1.64 1.56 3c4mB1 LEU -231 HG -0.29 -0.06 -0.05 -0.04 1.64 1.20 3c4mB1 LEU -231 HD13 -0.45 0.00 -0.07 -0.04 0.93 0.37 3c4mB1 LEU -231 HD23 0.00 -0.02 -0.24 -0.04 0.89 0.60 3c4mB1 SER -230 H -0.02 0.50 0.31 -0.55 8.46 8.71 3c4mB1 SER -230 HA 0.02 0.16 0.73 -0.75 4.49 4.64 3c4mB1 SER -230 HB2 0.14 -0.04 -0.03 -0.04 3.95 3.98 3c4mB1 SER -230 HB3 0.08 0.13 0.01 -0.04 3.93 4.11 3c4mB1 LEU -229 H -0.00 0.53 0.11 -0.55 8.37 8.46 3c4mB1 LEU -229 HA -0.07 0.13 0.86 -0.75 4.35 4.53 3c4mB1 LEU -229 HB2 -0.13 -0.08 -0.02 -0.04 1.64 1.37 3c4mB1 LEU -229 HB3 -0.05 0.08 -0.11 -0.04 1.64 1.52 3c4mB1 LEU -229 HG -0.01 0.01 -0.33 -0.04 1.64 1.27 3c4mB1 LEU -229 HD13 -0.20 0.01 -0.05 -0.04 0.93 0.66 3c4mB1 LEU -229 HD23 -0.19 -0.00 -0.12 -0.04 0.89 0.53 3c4mB1 ILE -228 H -0.08 0.78 0.41 -0.55 8.25 8.82 3c4mB1 ILE -228 HA 0.05 0.27 1.07 -0.75 4.18 4.82 3c4mB1 ILE -228 HB -0.43 -0.10 0.03 -0.04 1.89 1.35 3c4mB1 ILE -228 HG12 0.12 0.03 -0.20 -0.04 1.49 1.39 3c4mB1 ILE -228 HG13 -0.02 0.04 -0.21 -0.04 1.21 0.98 3c4mB1 ILE -228 HG23 -0.25 0.01 -0.14 -0.04 0.93 0.51 3c4mB1 ILE -228 HD13 0.04 -0.02 -0.21 -0.04 0.88 0.65 3c4mB1 TYR -227 H 0.07 0.60 0.33 -0.55 8.29 8.75 3c4mB1 TYR -227 HA 0.28 0.30 1.14 -0.75 4.56 5.52 3c4mB1 TYR -227 HB2 0.07 0.13 0.07 -0.04 3.06 3.29 3c4mB1 TYR -227 HB3 0.02 -0.06 -0.16 -0.04 2.98 2.73 3c4mB1 TYR -227 HD2 0.01 0.13 -0.28 -0.04 7.15 6.97 3c4mB1 TYR -227 HE2 -0.03 0.04 -0.21 -0.04 6.85 6.62 3c4mB1 ASN -226 H 0.32 0.74 0.31 -0.55 8.53 9.35 3c4mB1 ASN -226 HA 0.03 0.16 0.81 -0.75 4.76 5.01 3c4mB1 ASN -226 HB2 -0.34 0.09 0.05 -0.04 2.88 2.63 3c4mB1 ASN -226 HB3 -0.01 0.02 0.25 -0.04 2.79 3.00 3c4mB1 ASN -226 HD21 -0.14 0.01 0.01 -0.04 7.03 6.87 3c4mB1 ASN -226 HD22 -0.29 0.12 -0.01 -0.04 7.74 7.53 3c4mB1 LYS -225 H -0.09 0.62 0.31 -0.55 8.42 8.70 3c4mB1 LYS -225 HA 0.15 0.20 0.14 -0.75 4.32 4.06 3c4mB1 LYS -225 HB2 -0.07 0.02 0.00 -0.04 1.87 1.78 3c4mB1 LYS -225 HB3 -0.01 -0.01 -0.07 -0.04 1.79 1.66 3c4mB1 LYS -225 HG2 -0.08 0.07 -0.06 -0.04 1.46 1.35 3c4mB1 LYS -225 HG3 -0.36 -0.03 -0.16 -0.04 1.46 0.87 3c4mB1 LYS -225 HD2 -0.14 -0.02 -0.19 -0.04 1.69 1.29 3c4mB1 LYS -225 HD3 -0.06 -0.01 -0.07 -0.04 1.68 1.50 3c4mB1 LYS -225 HE2 -0.12 0.01 -0.06 -0.04 2.99 2.77 3c4mB1 LYS -225 HE3 -0.32 0.06 -0.34 -0.04 2.99 2.36 3c4mB1 ASP -224 H -0.02 0.14 -0.13 -0.55 8.40 7.84 3c4mB1 ASP -224 HA -0.00 0.08 0.47 -0.75 4.63 4.43 3c4mB1 ASP -224 HB2 -0.03 0.02 0.03 -0.04 2.71 2.69 3c4mB1 ASP -224 HB3 -0.02 0.04 0.04 -0.04 2.70 2.72 3c4mB1 LEU -223 H 0.01 0.14 -0.36 -0.55 8.37 7.62 3c4mB1 LEU -223 HA 0.01 0.13 0.63 -0.75 4.35 4.36 3c4mB1 LEU -223 HB2 0.02 0.06 0.09 -0.04 1.64 1.77 3c4mB1 LEU -223 HB3 0.02 -0.03 -0.01 -0.04 1.64 1.58 3c4mB1 LEU -223 HG -0.04 -0.08 -0.07 -0.04 1.64 1.40 3c4mB1 LEU -223 HD13 -0.04 0.06 -0.20 -0.04 0.93 0.71 3c4mB1 LEU -223 HD23 -0.01 0.02 -0.04 -0.04 0.89 0.81 3c4mB1 LEU -222 H 0.08 0.24 -0.34 -0.55 8.37 7.81 3c4mB1 LEU -222 HA 0.03 0.10 0.69 -0.75 4.35 4.42 3c4mB1 LEU -222 HB2 0.07 -0.01 -0.37 -0.04 1.64 1.28 3c4mB1 LEU -222 HB3 0.17 0.02 0.02 -0.04 1.64 1.81 3c4mB1 LEU -222 HG -0.03 -0.00 -0.38 -0.04 1.64 1.18 3c4mB1 LEU -222 HD13 -0.00 -0.00 -0.03 -0.04 0.93 0.85 3c4mB1 LEU -222 HD23 0.01 -0.02 -0.07 -0.04 0.89 0.76 3c4mB1 PRO -221 HA 0.11 0.06 0.45 -0.51 4.44 4.55 3c4mB1 PRO -221 HB2 0.02 -0.03 -0.06 -0.04 2.28 2.17 3c4mB1 PRO -221 HB3 0.03 0.03 0.09 -0.04 2.02 2.12 3c4mB1 PRO -221 HG2 0.01 -0.05 0.04 -0.04 2.03 1.99 3c4mB1 PRO -221 HG3 0.01 0.03 0.02 -0.04 2.03 2.05 3c4mB1 PRO -221 HD2 0.02 0.14 0.02 -0.04 3.68 3.82 3c4mB1 PRO -221 HD3 0.03 0.23 -0.13 -0.04 3.65 3.74 3c4mB1 ASN -220 H -0.02 0.11 -0.28 -0.55 8.53 7.80 3c4mB1 ASN -220 HA -0.11 0.23 0.90 -0.75 4.76 5.03 3c4mB1 ASN -220 HB2 -0.05 -0.06 0.07 -0.04 2.88 2.80 3c4mB1 ASN -220 HB3 -0.07 0.04 -0.03 -0.04 2.79 2.68 3c4mB1 ASN -220 HD21 -0.01 -0.00 -0.13 -0.04 7.03 6.84 3c4mB1 ASN -220 HD22 -0.01 -0.04 -0.12 -0.04 7.74 7.52 3c4mB1 PRO -219 HA -0.24 0.08 0.30 -0.51 4.44 4.07 3c4mB1 PRO -219 HB2 -0.37 0.12 -0.15 -0.04 2.28 1.84 3c4mB1 PRO -219 HB3 -0.81 0.00 -0.04 -0.04 2.02 1.13 3c4mB1 PRO -219 HG2 -0.37 -0.02 -0.06 -0.04 2.03 1.55 3c4mB1 PRO -219 HG3 -1.00 -0.01 -0.06 -0.04 2.03 0.92 3c4mB1 PRO -219 HD2 -0.31 0.06 0.16 -0.04 3.68 3.56 3c4mB1 PRO -219 HD3 -0.90 0.24 -0.08 -0.04 3.65 2.87 3c4mB1 PRO -218 HA -0.10 0.02 0.47 -0.51 4.44 4.32 3c4mB1 PRO -218 HB2 -0.12 0.04 -0.05 -0.04 2.28 2.12 3c4mB1 PRO -218 HB3 -0.08 0.01 0.04 -0.04 2.02 1.95 3c4mB1 PRO -218 HG2 -0.20 0.02 -0.02 -0.04 2.03 1.79 3c4mB1 PRO -218 HG3 -0.12 0.01 -0.01 -0.04 2.03 1.87 3c4mB1 PRO -218 HD2 -0.17 0.10 0.13 -0.04 3.68 3.70 3c4mB1 PRO -218 HD3 -0.10 0.16 0.11 -0.04 3.65 3.78 3c4mB1 LYS -217 H -0.08 0.09 0.16 -0.55 8.42 8.03 3c4mB1 LYS -217 HA -0.11 0.27 0.68 -0.75 4.32 4.41 3c4mB1 LYS -217 HB2 -0.05 -0.05 0.08 -0.04 1.87 1.80 3c4mB1 LYS -217 HB3 -0.05 -0.02 0.07 -0.04 1.79 1.75 3c4mB1 LYS -217 HG2 -0.08 0.06 -0.04 -0.04 1.46 1.36 3c4mB1 LYS -217 HG3 -0.08 0.09 -0.07 -0.04 1.46 1.36 3c4mB1 LYS -217 HD2 -0.04 -0.04 -0.01 -0.04 1.69 1.56 3c4mB1 LYS -217 HD3 -0.04 -0.02 -0.01 -0.04 1.68 1.57 3c4mB1 LYS -217 HE2 -0.05 0.00 -0.03 -0.04 2.99 2.87 3c4mB1 LYS -217 HE3 -0.06 0.07 -0.04 -0.04 2.99 2.92 3c4mB1 THR -216 H -0.07 0.11 -0.04 -0.55 8.28 7.72 3c4mB1 THR -216 HA -0.00 0.27 1.03 -0.75 4.39 4.93 3c4mB1 THR -216 HB 0.03 -0.06 0.06 -0.04 4.32 4.30 3c4mB1 THR -216 HG23 -0.01 0.03 -0.19 -0.04 1.22 1.00 3c4mB1 TRP -215 H 0.23 0.86 0.22 -0.55 7.97 8.73 3c4mB1 TRP -215 HA 0.03 0.11 0.50 -0.75 4.62 4.51 3c4mB1 TRP -215 HB2 -0.14 0.00 0.18 -0.04 3.23 3.23 3c4mB1 TRP -215 HB3 -0.47 -0.01 -0.03 -0.04 3.23 2.68 3c4mB1 TRP -215 HD1 -0.01 0.10 -0.64 -0.04 7.22 6.63 3c4mB1 TRP -215 HE1 -0.08 0.06 -0.14 -0.04 10.20 10.01 3c4mB1 TRP -215 HE3 0.34 -0.03 -0.03 -0.04 7.59 7.83 3c4mB1 TRP -215 HZ2 -0.16 -0.00 -0.08 -0.04 7.44 7.15 3c4mB1 TRP -215 HZ3 0.24 -0.00 -0.09 -0.04 7.13 7.23 3c4mB1 TRP -215 HH2 -0.23 -0.01 -0.09 -0.04 7.19 6.82 3c4mB1 GLU -214 H 0.10 0.08 -0.11 -0.55 8.60 8.12 3c4mB1 GLU -214 HA 0.33 0.11 0.24 -0.75 4.29 4.21 3c4mB1 GLU -214 HB2 0.05 -0.03 0.02 -0.04 2.09 2.09 3c4mB1 GLU -214 HB3 0.11 0.06 0.02 -0.04 1.99 2.14 3c4mB1 GLU -214 HG2 0.01 0.05 0.03 -0.04 2.34 2.40 3c4mB1 GLU -214 HG3 0.01 0.05 0.04 -0.04 2.34 2.41 3c4mB1 GLU -213 H 0.08 0.21 -0.54 -0.55 8.60 7.81 3c4mB1 GLU -213 HA 0.07 0.16 0.82 -0.75 4.29 4.59 3c4mB1 GLU -213 HB2 0.01 0.02 0.13 -0.04 2.09 2.21 3c4mB1 GLU -213 HB3 0.02 -0.04 0.01 -0.04 1.99 1.94 3c4mB1 GLU -213 HG2 -0.02 0.25 0.05 -0.04 2.34 2.58 3c4mB1 GLU -213 HG3 -0.02 0.06 -0.06 -0.04 2.34 2.27 3c4mB1 ILE -212 H 0.16 0.53 -0.15 -0.55 8.25 8.25 3c4mB1 ILE -212 HA 0.00 0.03 0.39 -0.75 4.18 3.85 3c4mB1 ILE -212 HB 0.26 0.17 0.15 -0.04 1.89 2.42 3c4mB1 ILE -212 HG12 -0.07 -0.00 -0.02 -0.04 1.49 1.35 3c4mB1 ILE -212 HG13 -0.04 0.02 0.05 -0.04 1.21 1.20 3c4mB1 ILE -212 HG23 0.08 -0.02 -0.10 -0.04 0.93 0.84 3c4mB1 ILE -212 HD13 -0.31 -0.01 -0.03 -0.04 0.88 0.49 3c4mB1 PRO -211 HA -0.74 0.08 0.57 -0.51 4.44 3.84 3c4mB1 PRO -211 HB2 0.01 0.02 0.03 -0.04 2.28 2.30 3c4mB1 PRO -211 HB3 -0.03 0.07 0.06 -0.04 2.02 2.07 3c4mB1 PRO -211 HG2 0.13 0.06 0.03 -0.04 2.03 2.21 3c4mB1 PRO -211 HG3 0.00 0.04 0.04 -0.04 2.03 2.07 3c4mB1 PRO -211 HD2 0.19 0.22 -0.23 -0.04 3.68 3.82 3c4mB1 PRO -211 HD3 0.29 0.16 0.07 -0.04 3.65 4.13 3c4mB1 ALA -210 H -0.01 0.24 -0.21 -0.55 8.40 7.87 3c4mB1 ALA -210 HA -0.01 0.06 0.45 -0.75 4.34 4.09 3c4mB1 ALA -210 HB3 0.01 0.04 0.10 -0.04 1.41 1.51 3c4mB1 LEU -209 H -0.03 0.31 -0.22 -0.55 8.37 7.88 3c4mB1 LEU -209 HA -0.01 0.06 0.50 -0.75 4.35 4.14 3c4mB1 LEU -209 HB2 -0.02 0.11 0.13 -0.04 1.64 1.82 3c4mB1 LEU -209 HB3 -0.02 0.05 0.13 -0.04 1.64 1.75 3c4mB1 LEU -209 HG -0.01 0.00 -0.01 -0.04 1.64 1.58 3c4mB1 LEU -209 HD13 -0.02 0.00 0.01 -0.04 0.93 0.89 3c4mB1 LEU -209 HD23 -0.03 -0.00 -0.03 -0.04 0.89 0.78 3c4mB1 ASP -208 H -0.10 0.69 0.06 -0.55 8.40 8.51 3c4mB1 ASP -208 HA 0.01 -0.05 0.58 -0.75 4.63 4.42 3c4mB1 ASP -208 HB2 -0.07 -0.02 0.23 -0.04 2.71 2.81 3c4mB1 ASP -208 HB3 -0.28 0.14 0.19 -0.04 2.70 2.71 3c4mB1 LYS -207 H -0.05 0.43 -0.21 -0.55 8.42 8.04 3c4mB1 LYS -207 HA 0.06 0.04 0.45 -0.75 4.32 4.12 3c4mB1 LYS -207 HB2 0.01 0.10 0.22 -0.04 1.87 2.16 3c4mB1 LYS -207 HB3 0.03 -0.04 0.01 -0.04 1.79 1.75 3c4mB1 LYS -207 HG2 0.14 0.04 0.07 -0.04 1.46 1.67 3c4mB1 LYS -207 HG3 0.06 -0.06 0.02 -0.04 1.46 1.44 3c4mB1 LYS -207 HD2 0.07 0.00 0.05 -0.04 1.69 1.77 3c4mB1 LYS -207 HD3 0.10 0.00 0.02 -0.04 1.68 1.77 3c4mB1 LYS -207 HE2 0.05 -0.03 0.01 -0.04 2.99 2.97 3c4mB1 LYS -207 HE3 0.04 0.01 0.01 -0.04 2.99 3.00 3c4mB1 GLU -206 H 0.00 0.45 -0.10 -0.55 8.60 8.40 3c4mB1 GLU -206 HA 0.01 -0.00 0.47 -0.75 4.29 4.02 3c4mB1 GLU -206 HB2 0.00 0.12 0.23 -0.04 2.09 2.40 3c4mB1 GLU -206 HB3 0.01 0.00 -0.01 -0.04 1.99 1.94 3c4mB1 GLU -206 HG2 0.01 -0.06 0.07 -0.04 2.34 2.32 3c4mB1 GLU -206 HG3 0.00 0.04 0.07 -0.04 2.34 2.42 3c4mB1 LEU -205 H 0.01 0.45 -0.18 -0.55 8.37 8.10 3c4mB1 LEU -205 HA 0.01 0.05 0.32 -0.75 4.35 3.97 3c4mB1 LEU -205 HB2 0.02 0.00 -0.03 -0.04 1.64 1.59 3c4mB1 LEU -205 HB3 0.02 -0.06 -0.36 -0.04 1.64 1.21 3c4mB1 LEU -205 HG 0.01 -0.01 -0.02 -0.04 1.64 1.58 3c4mB1 LEU -205 HD13 0.02 0.01 -0.19 -0.04 0.93 0.74 3c4mB1 LEU -205 HD23 0.01 0.03 -0.04 -0.04 0.89 0.84 3c4mB1 LYS -204 H 0.03 0.65 -0.03 -0.55 8.42 8.51 3c4mB1 LYS -204 HA 0.03 0.19 0.63 -0.75 4.32 4.42 3c4mB1 LYS -204 HB2 0.05 0.17 0.25 -0.04 1.87 2.29 3c4mB1 LYS -204 HB3 0.03 -0.07 0.00 -0.04 1.79 1.71 3c4mB1 LYS -204 HG2 0.07 -0.04 0.06 -0.04 1.46 1.51 3c4mB1 LYS -204 HG3 0.04 -0.08 0.09 -0.04 1.46 1.47 3c4mB1 LYS -204 HD2 0.04 0.43 0.24 -0.04 1.69 2.36 3c4mB1 LYS -204 HD3 0.08 -0.05 0.18 -0.04 1.68 1.84 3c4mB1 LYS -204 HE2 0.04 -0.05 0.02 -0.04 2.99 2.96 3c4mB1 LYS -204 HE3 0.05 -0.08 0.00 -0.04 2.99 2.92 3c4mB1 ALA -203 H 0.02 0.40 -0.35 -0.55 8.40 7.92 3c4mB1 ALA -203 HA 0.01 0.00 0.48 -0.75 4.34 4.09 3c4mB1 ALA -203 HB3 0.01 0.05 0.14 -0.04 1.41 1.57 3c4mB1 LYS -202 H 0.01 0.37 -0.41 -0.55 8.42 7.84 3c4mB1 LYS -202 HA 0.00 0.09 0.80 -0.75 4.32 4.47 3c4mB1 LYS -202 HB2 0.01 0.09 0.14 -0.04 1.87 2.06 3c4mB1 LYS -202 HB3 0.00 -0.03 0.16 -0.04 1.79 1.88 3c4mB1 LYS -202 HG2 0.00 -0.05 0.05 -0.04 1.46 1.43 3c4mB1 LYS -202 HG3 0.00 -0.02 -0.10 -0.04 1.46 1.31 3c4mB1 LYS -202 HD2 0.00 0.02 0.01 -0.04 1.69 1.69 3c4mB1 LYS -202 HD3 0.00 -0.05 0.00 -0.04 1.68 1.59 3c4mB1 LYS -202 HE2 0.00 -0.08 -0.04 -0.04 2.99 2.83 3c4mB1 LYS -202 HE3 0.01 0.23 -0.05 -0.04 2.99 3.14 3c4mB1 GLY -201 H 0.01 0.43 -0.34 -0.55 8.43 7.98 3c4mB1 GLY -201 HA2 0.01 0.02 0.36 -0.51 4.01 3.88 3c4mB1 GLY -201 HA3 0.00 -0.02 0.46 -0.51 4.01 3.94 3c4mB1 LYS -200 H 0.01 0.49 -0.03 -0.55 8.42 8.34 3c4mB1 LYS -200 HA 0.01 0.24 0.86 -0.75 4.32 4.67 3c4mB1 LYS -200 HB2 0.01 -0.08 -0.11 -0.04 1.87 1.65 3c4mB1 LYS -200 HB3 0.01 -0.03 0.01 -0.04 1.79 1.73 3c4mB1 LYS -200 HG2 -0.00 0.10 -0.44 -0.04 1.46 1.08 3c4mB1 LYS -200 HG3 -0.00 -0.08 -0.09 -0.04 1.46 1.25 3c4mB1 LYS -200 HD2 -0.02 -0.02 -0.00 -0.04 1.69 1.60 3c4mB1 LYS -200 HD3 -0.02 -0.00 0.04 -0.04 1.68 1.66 3c4mB1 LYS -200 HE2 -0.01 0.10 0.04 -0.04 2.99 3.08 3c4mB1 LYS -200 HE3 -0.01 0.02 -0.11 -0.04 2.99 2.85 3c4mB1 SER -199 H 0.03 0.48 0.32 -0.55 8.46 8.74 3c4mB1 SER -199 HA 0.05 0.21 0.88 -0.75 4.49 4.88 3c4mB1 SER -199 HB2 0.07 0.01 0.13 -0.04 3.95 4.12 3c4mB1 SER -199 HB3 0.04 0.07 -0.11 -0.04 3.93 3.89 3c4mB1 ALA -198 H 0.06 0.19 0.20 -0.55 8.40 8.31 3c4mB1 ALA -198 HA 0.04 0.12 0.47 -0.75 4.34 4.22 3c4mB1 ALA -198 HB3 0.02 0.00 0.07 -0.04 1.41 1.46 3c4mB1 LEU -197 H 0.10 0.26 0.07 -0.55 8.37 8.26 3c4mB1 LEU -197 HA 0.13 0.29 0.85 -0.75 4.35 4.87 3c4mB1 LEU -197 HB2 0.06 0.07 -0.33 -0.04 1.64 1.40 3c4mB1 LEU -197 HB3 0.15 -0.03 -0.06 -0.04 1.64 1.66 3c4mB1 LEU -197 HG 0.42 -0.05 -0.43 -0.04 1.64 1.54 3c4mB1 LEU -197 HD13 0.04 0.04 -0.35 -0.04 0.93 0.62 3c4mB1 LEU -197 HD23 0.16 -0.01 -0.15 -0.04 0.89 0.85 3c4mB1 MET -196 H 0.18 0.74 0.30 -0.55 8.47 9.14 3c4mB1 MET -196 HA 0.11 0.12 0.70 -0.75 4.52 4.70 3c4mB1 MET -196 HB2 0.10 0.05 0.10 -0.04 2.15 2.36 3c4mB1 MET -196 HB3 0.04 -0.11 0.01 -0.04 2.03 1.93 3c4mB1 MET -196 HG2 0.04 0.01 0.09 -0.04 2.63 2.73 3c4mB1 MET -196 HG3 0.08 0.02 -0.34 -0.04 2.56 2.28 3c4mB1 MET -196 HE3 0.00 -0.03 -0.13 -0.04 2.10 1.90 3c4mB1 PHE -195 H -0.11 0.32 0.13 -0.55 8.34 8.12 3c4mB1 PHE -195 HA -0.06 0.08 0.47 -0.75 4.62 4.36 3c4mB1 PHE -195 HB2 0.07 0.06 0.22 -0.04 3.15 3.46 3c4mB1 PHE -195 HB3 0.07 -0.04 -0.04 -0.04 3.06 3.01 3c4mB1 PHE -195 HD2 0.19 -0.03 -0.29 -0.04 7.28 7.11 3c4mB1 PHE -195 HE2 0.30 -0.01 -0.28 -0.04 7.38 7.34 3c4mB1 PHE -195 HZ 0.19 -0.02 -0.11 -0.04 7.32 7.34 3c4mB1 ASN -194 H -0.10 0.17 0.10 -0.55 8.53 8.15 3c4mB1 ASN -194 HA -0.15 0.03 0.14 -0.75 4.76 4.03 3c4mB1 ASN -194 HB2 -0.37 0.01 0.04 -0.04 2.88 2.53 3c4mB1 ASN -194 HB3 -1.06 0.06 0.18 -0.04 2.79 1.94 3c4mB1 ASN -194 HD21 0.06 0.02 0.04 -0.04 7.03 7.11 3c4mB1 ASN -194 HD22 -0.26 0.08 0.07 -0.04 7.74 7.58 3c4mB1 LEU -193 H -0.13 0.62 0.31 -0.55 8.37 8.62 3c4mB1 LEU -193 HA -0.05 0.11 0.67 -0.75 4.35 4.33 3c4mB1 LEU -193 HB2 -0.12 0.23 0.12 -0.04 1.64 1.84 3c4mB1 LEU -193 HB3 -0.09 -0.03 0.12 -0.04 1.64 1.59 3c4mB1 LEU -193 HG -0.45 0.18 0.01 -0.04 1.64 1.33 3c4mB1 LEU -193 HD13 -0.17 0.04 -0.07 -0.04 0.93 0.70 3c4mB1 LEU -193 HD23 -0.50 -0.02 -0.15 -0.04 0.89 0.18 3c4mB1 GLN -192 H -0.01 -0.08 -0.02 -0.55 8.47 7.82 3c4mB1 GLN -192 HA 0.03 0.26 0.67 -0.75 4.36 4.56 3c4mB1 GLN -192 HB2 0.03 -0.15 0.07 -0.04 2.15 2.06 3c4mB1 GLN -192 HB3 0.02 0.04 0.10 -0.04 2.02 2.14 3c4mB1 GLN -192 HG2 -0.01 -0.02 0.08 -0.04 2.40 2.41 3c4mB1 GLN -192 HG3 0.00 -0.05 0.01 -0.04 2.39 2.31 3c4mB1 GLN -192 HE21 -0.03 0.42 -0.02 -0.04 6.97 7.30 3c4mB1 GLN -192 HE22 -0.04 0.25 -0.36 -0.04 7.69 7.51 3c4mB1 GLU -191 H 0.15 0.11 -0.21 -0.55 8.60 8.10 3c4mB1 GLU -191 HA 0.13 0.32 0.99 -0.75 4.29 4.99 3c4mB1 GLU -191 HB2 0.43 -0.03 0.11 -0.04 2.09 2.57 3c4mB1 GLU -191 HB3 0.29 -0.07 0.04 -0.04 1.99 2.21 3c4mB1 GLU -191 HG2 0.11 -0.04 -0.25 -0.04 2.34 2.12 3c4mB1 GLU -191 HG3 0.17 -0.04 -0.00 -0.04 2.34 2.42 3c4mB1 PRO -190 HA 0.32 0.11 0.21 -0.51 4.44 4.57 3c4mB1 PRO -190 HB2 0.52 0.03 -0.06 -0.04 2.28 2.73 3c4mB1 PRO -190 HB3 0.25 0.13 -0.14 -0.04 2.02 2.22 3c4mB1 PRO -190 HG2 0.24 -0.02 0.04 -0.04 2.03 2.25 3c4mB1 PRO -190 HG3 0.24 0.14 0.08 -0.04 2.03 2.45 3c4mB1 PRO -190 HD2 0.07 0.05 0.23 -0.04 3.68 3.99 3c4mB1 PRO -190 HD3 0.12 0.28 0.18 -0.04 3.65 4.19 3c4mB1 TYR -189 H 0.17 0.06 -0.45 -0.55 8.29 7.52 3c4mB1 TYR -189 HA 0.21 0.08 0.42 -0.75 4.56 4.51 3c4mB1 TYR -189 HB2 -0.43 -0.02 0.06 -0.04 3.06 2.63 3c4mB1 TYR -189 HB3 -0.19 -0.03 0.00 -0.04 2.98 2.72 3c4mB1 TYR -189 HD2 -0.65 -0.01 -0.06 -0.04 7.15 6.39 3c4mB1 TYR -189 HE2 0.11 0.06 -0.05 -0.04 6.85 6.93 3c4mB1 PHE -188 H 0.64 0.41 -0.20 -0.55 8.34 8.64 3c4mB1 PHE -188 HA 0.11 0.10 0.50 -0.75 4.62 4.57 3c4mB1 PHE -188 HB2 0.43 0.32 0.12 -0.04 3.15 3.97 3c4mB1 PHE -188 HB3 0.47 -0.00 0.05 -0.04 3.06 3.53 3c4mB1 PHE -188 HD2 0.30 0.15 0.04 -0.04 7.28 7.73 3c4mB1 PHE -188 HE2 0.39 -0.05 0.05 -0.04 7.38 7.74 3c4mB1 PHE -188 HZ 0.55 -0.03 0.02 -0.04 7.32 7.81 3c4mB1 THR -187 H 0.44 0.15 -0.17 -0.55 8.28 8.15 3c4mB1 THR -187 HA 0.35 0.17 0.68 -0.75 4.39 4.83 3c4mB1 THR -187 HB 0.17 -0.04 0.02 -0.04 4.32 4.43 3c4mB1 THR -187 HG23 0.32 0.03 -0.07 -0.04 1.22 1.46 3c4mB1 TRP -186 H 0.48 0.43 -0.13 -0.55 7.97 8.21 3c4mB1 TRP -186 HA 0.09 -0.05 0.27 -0.75 4.62 4.18 3c4mB1 TRP -186 HB2 0.42 0.06 0.07 -0.04 3.23 3.74 3c4mB1 TRP -186 HB3 0.20 0.09 0.08 -0.04 3.23 3.56 3c4mB1 TRP -186 HD1 -0.18 -0.01 -0.11 -0.04 7.22 6.87 3c4mB1 TRP -186 HE1 -1.02 0.09 -0.10 -0.04 10.20 9.12 3c4mB1 TRP -186 HE3 0.17 -0.01 -0.06 -0.04 7.59 7.65 3c4mB1 TRP -186 HZ2 -0.13 -0.12 -0.34 -0.04 7.44 6.80 3c4mB1 TRP -186 HZ3 0.09 0.00 -0.09 -0.04 7.13 7.08 3c4mB1 TRP -186 HH2 0.09 0.13 -0.45 -0.04 7.19 6.91 3c4mB1 PRO -185 HA -0.11 0.27 0.04 -0.51 4.44 4.12 3c4mB1 PRO -185 HB2 0.08 0.07 -0.17 -0.04 2.28 2.23 3c4mB1 PRO -185 HB3 0.05 0.05 -0.26 -0.04 2.02 1.82 3c4mB1 PRO -185 HG2 0.03 0.08 -0.07 -0.04 2.03 2.03 3c4mB1 PRO -185 HG3 0.05 -0.07 -0.01 -0.04 2.03 1.96 3c4mB1 PRO -185 HD2 0.12 0.23 -0.62 -0.04 3.68 3.37 3c4mB1 PRO -185 HD3 0.19 0.22 -0.13 -0.04 3.65 3.89 3c4mB1 LEU -184 H -0.13 0.35 -0.36 -0.55 8.37 7.69 3c4mB1 LEU -184 HA -0.37 0.10 0.55 -0.75 4.35 3.87 3c4mB1 LEU -184 HB2 -0.78 -0.00 0.03 -0.04 1.64 0.85 3c4mB1 LEU -184 HB3 -0.41 0.16 0.09 -0.04 1.64 1.45 3c4mB1 LEU -184 HG -0.75 -0.01 -0.19 -0.04 1.64 0.64 3c4mB1 LEU -184 HD13 -1.77 -0.01 0.02 -0.04 0.93 -0.87 3c4mB1 LEU -184 HD23 -1.16 -0.01 -0.04 -0.04 0.89 -0.37 3c4mB1 ILE -183 H -0.32 0.38 -0.05 -0.55 8.25 7.71 3c4mB1 ILE -183 HA -0.32 -0.01 0.49 -0.75 4.18 3.58 3c4mB1 ILE -183 HB -0.62 0.06 0.07 -0.04 1.89 1.36 3c4mB1 ILE -183 HG12 -0.12 -0.01 -0.00 -0.04 1.49 1.32 3c4mB1 ILE -183 HG13 -0.15 0.04 -0.09 -0.04 1.21 0.98 3c4mB1 ILE -183 HG23 -0.38 -0.01 -0.03 -0.04 0.93 0.46 3c4mB1 ILE -183 HD13 0.16 -0.02 -0.13 -0.04 0.88 0.85 3c4mB1 ALA -182 H -0.74 0.58 -0.28 -0.55 8.40 7.41 3c4mB1 ALA -182 HA -0.53 0.01 0.42 -0.75 4.34 3.49 3c4mB1 ALA -182 HB3 -0.69 -0.01 0.02 -0.04 1.41 0.70 3c4mB1 ALA -181 H -0.23 0.19 -0.39 -0.55 8.40 7.42 3c4mB1 ALA -181 HA -0.04 0.25 0.33 -0.75 4.34 4.13 3c4mB1 ALA -181 HB3 0.06 0.01 0.10 -0.04 1.41 1.54 3c4mB1 ASP -180 H 0.03 0.14 -0.18 -0.55 8.40 7.85 3c4mB1 ASP -180 HA -0.00 0.24 0.65 -0.75 4.63 4.77 3c4mB1 ASP -180 HB2 0.02 0.01 -0.03 -0.04 2.71 2.68 3c4mB1 ASP -180 HB3 0.12 0.02 0.10 -0.04 2.70 2.90 3c4mB1 GLY -179 H -0.05 0.34 -0.46 -0.55 8.43 7.72 3c4mB1 GLY -179 HA2 0.05 0.11 0.14 -0.51 4.01 3.80 3c4mB1 GLY -179 HA3 0.04 0.04 0.92 -0.51 4.01 4.50 3c4mB1 GLY -178 H -0.14 0.23 -0.05 -0.55 8.43 7.92 3c4mB1 GLY -178 HA2 -0.14 0.10 0.60 -0.51 4.01 4.06 3c4mB1 GLY -178 HA3 -0.34 0.03 0.18 -0.51 4.01 3.37 3c4mB1 TYR -177 H -0.24 0.44 0.28 -0.55 8.29 8.21 3c4mB1 TYR -177 HA 0.35 0.13 0.34 -0.75 4.56 4.62 3c4mB1 TYR -177 HB2 0.15 -0.06 -0.10 -0.04 3.06 3.01 3c4mB1 TYR -177 HB3 0.10 0.19 -0.08 -0.04 2.98 3.16 3c4mB1 TYR -177 HD2 0.07 0.12 -0.47 -0.04 7.15 6.83 3c4mB1 TYR -177 HE2 0.08 0.07 -0.21 -0.04 6.85 6.75 3c4mB1 ALA -176 H 0.27 0.19 0.01 -0.55 8.40 8.33 3c4mB1 ALA -176 HA -0.53 0.07 0.63 -0.75 4.34 3.76 3c4mB1 ALA -176 HB3 -1.02 -0.01 0.12 -0.04 1.41 0.46 3c4mB1 PHE -175 H 0.11 0.17 0.11 -0.55 8.34 8.18 3c4mB1 PHE -175 HA 0.19 0.43 0.93 -0.75 4.62 5.41 3c4mB1 PHE -175 HB2 -0.04 -0.08 0.01 -0.04 3.15 3.00 3c4mB1 PHE -175 HB3 0.13 0.09 -0.16 -0.04 3.06 3.08 3c4mB1 PHE -175 HD2 -0.24 0.08 -0.13 -0.04 7.28 6.95 3c4mB1 PHE -175 HE2 -0.44 0.03 -0.14 -0.04 7.38 6.79 3c4mB1 PHE -175 HZ -0.20 0.06 -0.17 -0.04 7.32 6.96 3c4mB1 LYS -174 H 0.37 0.54 0.25 -0.55 8.42 9.03 3c4mB1 LYS -174 HA 0.03 0.08 0.54 -0.75 4.32 4.21 3c4mB1 LYS -174 HB2 -0.01 0.04 0.08 -0.04 1.87 1.94 3c4mB1 LYS -174 HB3 0.13 -0.07 0.07 -0.04 1.79 1.88 3c4mB1 LYS -174 HG2 -0.04 -0.06 -0.06 -0.04 1.46 1.27 3c4mB1 LYS -174 HG3 -0.01 0.09 -0.11 -0.04 1.46 1.39 3c4mB1 LYS -174 HD2 -0.38 -0.00 0.03 -0.04 1.69 1.30 3c4mB1 LYS -174 HD3 -0.76 -0.01 -0.04 -0.04 1.68 0.84 3c4mB1 LYS -174 HE2 -0.17 0.05 -0.00 -0.04 2.99 2.82 3c4mB1 LYS -174 HE3 -0.12 -0.02 -0.01 -0.04 2.99 2.79 3c4mB1 TYR -173 H 0.18 0.20 0.16 -0.55 8.29 8.28 3c4mB1 TYR -173 HA -0.12 0.22 0.93 -0.75 4.56 4.84 3c4mB1 TYR -173 HB2 -0.19 0.02 -0.00 -0.04 3.06 2.85 3c4mB1 TYR -173 HB3 -0.07 0.02 0.15 -0.04 2.98 3.04 3c4mB1 TYR -173 HD2 -0.93 -0.02 -0.22 -0.04 7.15 5.95 3c4mB1 TYR -173 HE2 -0.23 -0.01 -0.15 -0.04 6.85 6.43 3c4mB1 GLU -172 H -0.33 0.70 0.27 -0.55 8.60 8.69 3c4mB1 GLU -172 HA -0.09 0.13 0.76 -0.75 4.29 4.34 3c4mB1 GLU -172 HB2 -0.05 -0.01 -0.07 -0.04 2.09 1.91 3c4mB1 GLU -172 HB3 -0.06 0.09 -0.01 -0.04 1.99 1.96 3c4mB1 GLU -172 HG2 0.01 -0.11 -0.69 -0.04 2.34 1.50 3c4mB1 GLU -172 HG3 0.04 -0.12 -0.33 -0.04 2.34 1.89 3c4mB1 ASN -171 H -0.11 0.20 0.14 -0.55 8.53 8.21 3c4mB1 ASN -171 HA -0.10 0.05 0.34 -0.75 4.76 4.29 3c4mB1 ASN -171 HB2 -0.19 0.13 -0.09 -0.04 2.88 2.69 3c4mB1 ASN -171 HB3 -0.12 0.00 0.17 -0.04 2.79 2.80 3c4mB1 ASN -171 HD21 -0.15 0.16 -0.03 -0.04 7.03 6.97 3c4mB1 ASN -171 HD22 -0.23 0.01 -0.22 -0.04 7.74 7.27 3c4mB1 GLY -170 H -0.24 0.03 -0.31 -0.55 8.43 7.36 3c4mB1 GLY -170 HA2 -0.08 -0.01 0.20 -0.51 4.01 3.61 3c4mB1 GLY -170 HA3 -0.10 0.08 0.35 -0.51 4.01 3.83 3c4mB1 LYS -169 H -0.80 0.40 -0.26 -0.55 8.42 7.21 3c4mB1 LYS -169 HA -0.44 0.01 0.34 -0.75 4.32 3.48 3c4mB1 LYS -169 HB2 -0.12 -0.11 0.16 -0.04 1.87 1.76 3c4mB1 LYS -169 HB3 -0.16 0.19 -0.12 -0.04 1.79 1.66 3c4mB1 LYS -169 HG2 -0.22 0.10 -0.20 -0.04 1.46 1.09 3c4mB1 LYS -169 HG3 -0.11 0.04 -0.21 -0.04 1.46 1.14 3c4mB1 LYS -169 HD2 -0.13 0.15 -0.13 -0.04 1.69 1.54 3c4mB1 LYS -169 HD3 -0.09 -0.04 -0.08 -0.04 1.68 1.44 3c4mB1 LYS -169 HE2 -0.05 -0.05 -0.01 -0.04 2.99 2.83 3c4mB1 LYS -169 HE3 -0.08 -0.01 -0.01 -0.04 2.99 2.85 3c4mB1 TYR -168 H -0.06 0.09 0.13 -0.55 8.29 7.90 3c4mB1 TYR -168 HA 0.03 0.23 0.73 -0.75 4.56 4.79 3c4mB1 TYR -168 HB2 -0.09 -0.07 0.15 -0.04 3.06 3.00 3c4mB1 TYR -168 HB3 -0.10 0.00 -0.08 -0.04 2.98 2.76 3c4mB1 TYR -168 HD2 0.17 0.06 -0.12 -0.04 7.15 7.22 3c4mB1 TYR -168 HE2 0.19 0.06 -0.01 -0.04 6.85 7.05 3c4mB1 ASP -167 H 0.17 0.83 0.31 -0.55 8.40 9.16 3c4mB1 ASP -167 HA 0.05 0.11 0.66 -0.75 4.63 4.71 3c4mB1 ASP -167 HB2 0.07 0.08 0.07 -0.04 2.71 2.89 3c4mB1 ASP -167 HB3 0.17 -0.00 0.25 -0.04 2.70 3.07 3c4mB1 ILE -166 H 0.06 0.26 0.16 -0.55 8.25 8.18 3c4mB1 ILE -166 HA 0.23 0.07 0.21 -0.75 4.18 3.94 3c4mB1 ILE -166 HB -0.21 -0.00 0.07 -0.04 1.89 1.70 3c4mB1 ILE -166 HG12 0.14 0.02 0.09 -0.04 1.49 1.70 3c4mB1 ILE -166 HG13 0.34 0.05 -0.11 -0.04 1.21 1.46 3c4mB1 ILE -166 HG23 -0.44 0.01 -0.03 -0.04 0.93 0.44 3c4mB1 ILE -166 HD13 0.12 -0.00 0.01 -0.04 0.88 0.97 3c4mB1 LYS -165 H 0.03 0.06 -0.33 -0.55 8.42 7.63 3c4mB1 LYS -165 HA 0.07 0.10 0.56 -0.75 4.32 4.29 3c4mB1 LYS -165 HB2 -0.77 0.02 0.06 -0.04 1.87 1.13 3c4mB1 LYS -165 HB3 -0.08 -0.01 0.04 -0.04 1.79 1.70 3c4mB1 LYS -165 HG2 0.02 0.18 -0.06 -0.04 1.46 1.56 3c4mB1 LYS -165 HG3 -0.00 -0.09 -0.14 -0.04 1.46 1.19 3c4mB1 LYS -165 HD2 0.02 -0.04 0.07 -0.04 1.69 1.70 3c4mB1 LYS -165 HD3 -0.12 -0.03 -0.06 -0.04 1.68 1.43 3c4mB1 LYS -165 HE2 0.23 0.19 0.01 -0.04 2.99 3.38 3c4mB1 LYS -165 HE3 0.01 -0.05 0.03 -0.04 2.99 2.95 3c4mB1 ASP -164 H 0.18 0.39 -0.33 -0.55 8.40 8.09 3c4mB1 ASP -164 HA -0.13 0.16 0.59 -0.75 4.63 4.50 3c4mB1 ASP -164 HB2 0.30 -0.02 0.05 -0.04 2.71 2.99 3c4mB1 ASP -164 HB3 0.27 -0.05 0.29 -0.04 2.70 3.16 3c4mB1 VAL -163 H -0.09 0.33 0.13 -0.55 8.24 8.06 3c4mB1 VAL -163 HA -0.10 0.44 0.91 -0.75 4.13 4.64 3c4mB1 VAL -163 HB -0.03 -0.03 0.14 -0.04 2.12 2.16 3c4mB1 VAL -163 HG13 -0.08 -0.06 0.02 -0.04 0.97 0.81 3c4mB1 VAL -163 HG23 0.17 0.01 -0.16 -0.04 0.95 0.93 3c4mB1 GLY -162 H -0.38 0.61 0.09 -0.55 8.43 8.21 3c4mB1 GLY -162 HA2 -0.54 0.13 0.80 -0.51 4.01 3.89 3c4mB1 GLY -162 HA3 -1.85 0.00 0.37 -0.51 4.01 2.01 3c4mB1 VAL -161 H -0.10 0.17 -0.17 -0.55 8.24 7.59 3c4mB1 VAL -161 HA 0.08 0.21 0.88 -0.75 4.13 4.54 3c4mB1 VAL -161 HB 0.15 -0.02 0.10 -0.04 2.12 2.31 3c4mB1 VAL -161 HG13 0.27 0.02 -0.03 -0.04 0.97 1.19 3c4mB1 VAL -161 HG23 0.02 0.02 -0.11 -0.04 0.95 0.83 3c4mB1 ASP -160 H -0.07 0.13 -0.07 -0.55 8.40 7.85 3c4mB1 ASP -160 HA -0.02 0.24 0.92 -0.75 4.63 5.02 3c4mB1 ASP -160 HB2 -0.01 -0.04 -0.15 -0.04 2.71 2.47 3c4mB1 ASP -160 HB3 -0.02 0.10 -0.27 -0.04 2.70 2.48 3c4mB1 ASN -159 H -0.07 0.11 -0.31 -0.55 8.53 7.71 3c4mB1 ASN -159 HA 0.00 0.22 0.61 -0.75 4.76 4.84 3c4mB1 ASN -159 HB2 0.03 -0.01 0.11 -0.04 2.88 2.97 3c4mB1 ASN -159 HB3 -0.02 0.08 0.03 -0.04 2.79 2.84 3c4mB1 ASN -159 HD21 -0.07 0.45 0.06 -0.04 7.03 7.43 3c4mB1 ASN -159 HD22 -0.04 -0.02 0.02 -0.04 7.74 7.66 3c4mB1 ALA -158 H 0.02 0.22 0.11 -0.55 8.40 8.21 3c4mB1 ALA -158 HA 0.01 0.06 0.30 -0.75 4.34 3.96 3c4mB1 ALA -158 HB3 0.02 0.04 0.08 -0.04 1.41 1.51 3c4mB1 GLY -157 H 0.01 0.11 -0.32 -0.55 8.43 7.68 3c4mB1 GLY -157 HA2 0.02 0.11 0.25 -0.51 4.01 3.88 3c4mB1 GLY -157 HA3 0.00 0.18 -0.21 -0.51 4.01 3.47 3c4mB1 ALA -156 H -0.05 0.12 -0.36 -0.55 8.40 7.56 3c4mB1 ALA -156 HA -0.17 0.24 0.53 -0.75 4.34 4.19 3c4mB1 ALA -156 HB3 -0.08 0.03 0.02 -0.04 1.41 1.33 3c4mB1 LYS -155 H -0.02 0.51 -0.25 -0.55 8.42 8.11 3c4mB1 LYS -155 HA -0.02 -0.02 0.35 -0.75 4.32 3.88 3c4mB1 LYS -155 HB2 0.01 0.14 0.02 -0.04 1.87 1.99 3c4mB1 LYS -155 HB3 0.01 -0.08 -0.07 -0.04 1.79 1.60 3c4mB1 LYS -155 HG2 -0.00 -0.07 -0.12 -0.04 1.46 1.22 3c4mB1 LYS -155 HG3 -0.01 0.15 -0.22 -0.04 1.46 1.34 3c4mB1 LYS -155 HD2 0.01 -0.01 -0.23 -0.04 1.69 1.42 3c4mB1 LYS -155 HD3 0.01 -0.08 -0.09 -0.04 1.68 1.47 3c4mB1 LYS -155 HE2 0.00 -0.11 -0.02 -0.04 2.99 2.81 3c4mB1 LYS -155 HE3 -0.00 0.22 -0.07 -0.04 2.99 3.10 3c4mB1 ALA -154 H 0.03 0.53 -0.23 -0.55 8.40 8.19 3c4mB1 ALA -154 HA 0.12 -0.01 0.38 -0.75 4.34 4.07 3c4mB1 ALA -154 HB3 0.18 0.03 0.08 -0.04 1.41 1.67 3c4mB1 GLY -153 H -0.01 0.50 -0.15 -0.55 8.43 8.22 3c4mB1 GLY -153 HA2 -0.89 -0.00 0.34 -0.51 4.01 2.96 3c4mB1 GLY -153 HA3 -0.35 0.20 0.21 -0.51 4.01 3.56 3c4mB1 LEU -152 H -0.11 0.64 -0.06 -0.55 8.37 8.30 3c4mB1 LEU -152 HA -0.11 0.02 0.40 -0.75 4.35 3.91 3c4mB1 LEU -152 HB2 -0.05 0.04 0.07 -0.04 1.64 1.67 3c4mB1 LEU -152 HB3 -0.04 0.03 0.08 -0.04 1.64 1.68 3c4mB1 LEU -152 HG -0.02 -0.04 -0.13 -0.04 1.64 1.41 3c4mB1 LEU -152 HD13 -0.01 -0.01 0.04 -0.04 0.93 0.91 3c4mB1 LEU -152 HD23 0.00 0.01 -0.08 -0.04 0.89 0.79 3c4mB1 THR -151 H -0.02 0.73 -0.09 -0.55 8.28 8.35 3c4mB1 THR -151 HA -0.01 -0.06 0.47 -0.75 4.39 4.04 3c4mB1 THR -151 HB 0.07 0.17 0.14 -0.04 4.32 4.66 3c4mB1 THR -151 HG23 0.04 -0.02 -0.09 -0.04 1.22 1.11 3c4mB1 PHE -150 H 0.03 0.53 -0.29 -0.55 8.34 8.05 3c4mB1 PHE -150 HA -0.01 0.01 0.42 -0.75 4.62 4.28 3c4mB1 PHE -150 HB2 -0.18 0.07 0.11 -0.04 3.15 3.12 3c4mB1 PHE -150 HB3 -0.59 0.13 0.10 -0.04 3.06 2.65 3c4mB1 PHE -150 HD2 -0.07 0.02 -0.11 -0.04 7.28 7.08 3c4mB1 PHE -150 HE2 0.33 0.02 -0.06 -0.04 7.38 7.63 3c4mB1 PHE -150 HZ 0.23 0.11 -0.19 -0.04 7.32 7.43 3c4mB1 LEU -149 H -0.10 0.44 -0.12 -0.55 8.37 8.03 3c4mB1 LEU -149 HA -0.05 0.02 0.46 -0.75 4.35 4.03 3c4mB1 LEU -149 HB2 -0.12 0.03 0.11 -0.04 1.64 1.62 3c4mB1 LEU -149 HB3 -0.06 0.10 0.17 -0.04 1.64 1.81 3c4mB1 LEU -149 HG -0.01 -0.02 -0.22 -0.04 1.64 1.35 3c4mB1 LEU -149 HD13 0.15 -0.01 -0.04 -0.04 0.93 1.00 3c4mB1 LEU -149 HD23 0.02 -0.01 -0.04 -0.04 0.89 0.83 3c4mB1 VAL -148 H -0.06 0.67 -0.01 -0.55 8.24 8.30 3c4mB1 VAL -148 HA -0.04 0.03 0.43 -0.75 4.13 3.79 3c4mB1 VAL -148 HB -0.04 0.04 0.14 -0.04 2.12 2.23 3c4mB1 VAL -148 HG13 -0.03 0.00 -0.03 -0.04 0.97 0.87 3c4mB1 VAL -148 HG23 -0.03 0.01 -0.12 -0.04 0.95 0.78 3c4mB1 ASP -147 H -0.11 0.56 -0.28 -0.55 8.40 8.02 3c4mB1 ASP -147 HA -0.07 0.00 0.54 -0.75 4.63 4.34 3c4mB1 ASP -147 HB2 -0.22 0.14 0.17 -0.04 2.71 2.76 3c4mB1 ASP -147 HB3 -0.12 -0.05 0.04 -0.04 2.70 2.53 3c4mB1 LEU -146 H -0.20 0.48 -0.15 -0.55 8.37 7.95 3c4mB1 LEU -146 HA 0.04 0.01 0.49 -0.75 4.35 4.13 3c4mB1 LEU -146 HB2 0.00 0.21 0.15 -0.04 1.64 1.96 3c4mB1 LEU -146 HB3 0.11 -0.08 -0.07 -0.04 1.64 1.55 3c4mB1 LEU -146 HG -0.42 0.15 0.05 -0.04 1.64 1.39 3c4mB1 LEU -146 HD13 0.36 -0.02 -0.06 -0.04 0.93 1.17 3c4mB1 LEU -146 HD23 0.13 -0.01 -0.04 -0.04 0.89 0.93 3c4mB1 ILE -145 H -0.05 0.41 -0.26 -0.55 8.25 7.80 3c4mB1 ILE -145 HA -0.04 0.15 0.57 -0.75 4.18 4.10 3c4mB1 ILE -145 HB -0.04 0.14 0.18 -0.04 1.89 2.12 3c4mB1 ILE -145 HG12 -0.04 -0.13 -0.35 -0.04 1.49 0.92 3c4mB1 ILE -145 HG13 -0.03 0.05 -0.09 -0.04 1.21 1.10 3c4mB1 ILE -145 HG23 -0.04 0.01 -0.00 -0.04 0.93 0.86 3c4mB1 ILE -145 HD13 -0.05 -0.02 -0.09 -0.04 0.88 0.68 3c4mB1 LYS -144 H -0.06 0.60 0.08 -0.55 8.42 8.47 3c4mB1 LYS -144 HA -0.05 0.05 0.57 -0.75 4.32 4.13 3c4mB1 LYS -144 HB2 -0.06 0.02 0.20 -0.04 1.87 1.99 3c4mB1 LYS -144 HB3 -0.05 -0.05 0.07 -0.04 1.79 1.72 3c4mB1 LYS -144 HG2 -0.04 -0.01 0.07 -0.04 1.46 1.45 3c4mB1 LYS -144 HG3 -0.04 0.24 0.07 -0.04 1.46 1.68 3c4mB1 LYS -144 HD2 -0.03 -0.04 -0.01 -0.04 1.69 1.58 3c4mB1 LYS -144 HD3 -0.03 -0.03 0.02 -0.04 1.68 1.61 3c4mB1 LYS -144 HE2 -0.02 0.05 0.01 -0.04 2.99 2.99 3c4mB1 LYS -144 HE3 -0.02 -0.03 -0.04 -0.04 2.99 2.86 3c4mB1 ASN -143 H -0.13 0.51 -0.22 -0.55 8.53 8.15 3c4mB1 ASN -143 HA -0.16 0.10 0.55 -0.75 4.76 4.49 3c4mB1 ASN -143 HB2 -0.26 0.03 0.12 -0.04 2.88 2.72 3c4mB1 ASN -143 HB3 -0.30 -0.04 0.17 -0.04 2.79 2.57 3c4mB1 ASN -143 HD21 -0.03 -0.06 -0.04 -0.04 7.03 6.85 3c4mB1 ASN -143 HD22 -0.07 0.08 -0.09 -0.04 7.74 7.61 3c4mB1 LYS -142 H -0.15 0.29 -0.79 -0.55 8.42 7.22 3c4mB1 LYS -142 HA -0.09 0.15 0.35 -0.75 4.32 3.98 3c4mB1 LYS -142 HB2 -0.12 0.08 -0.16 -0.04 1.87 1.63 3c4mB1 LYS -142 HB3 -0.06 -0.07 0.18 -0.04 1.79 1.80 3c4mB1 LYS -142 HG2 -0.05 -0.04 0.06 -0.04 1.46 1.39 3c4mB1 LYS -142 HG3 -0.08 0.17 -0.06 -0.04 1.46 1.45 3c4mB1 LYS -142 HD2 -0.05 0.00 -0.05 -0.04 1.69 1.55 3c4mB1 LYS -142 HD3 -0.04 -0.06 0.01 -0.04 1.68 1.55 3c4mB1 LYS -142 HE2 -0.03 -0.05 0.04 -0.04 2.99 2.90 3c4mB1 LYS -142 HE3 -0.05 0.16 0.04 -0.04 2.99 3.10 3c4mB1 HIS -141 H -0.21 0.46 -0.14 -0.55 8.41 7.98 3c4mB1 HIS -141 HA 0.02 0.12 0.83 -0.75 4.63 4.85 3c4mB1 HIS -141 HB2 0.02 -0.01 0.08 -0.04 3.26 3.30 3c4mB1 HIS -141 HB3 0.05 -0.12 0.13 -0.04 3.20 3.22 3c4mB1 HIS -141 HD2 -0.03 -0.06 0.04 -0.04 6.97 6.87 3c4mB1 HIS -141 HE1 0.01 -0.02 0.03 -0.04 7.75 7.72 3c4mB1 MET -140 H 0.01 0.36 -0.01 -0.55 8.47 8.28 3c4mB1 MET -140 HA 0.03 0.14 0.55 -0.75 4.52 4.49 3c4mB1 MET -140 HB2 0.02 -0.05 -0.27 -0.04 2.15 1.81 3c4mB1 MET -140 HB3 -0.04 -0.02 -0.07 -0.04 2.03 1.86 3c4mB1 MET -140 HG2 0.08 0.18 0.13 -0.04 2.63 2.97 3c4mB1 MET -140 HG3 0.15 -0.01 -0.38 -0.04 2.56 2.28 3c4mB1 MET -140 HE3 0.56 -0.01 -0.16 -0.04 2.10 2.45 3c4mB1 ASN -139 H -0.03 0.17 0.13 -0.55 8.53 8.25 3c4mB1 ASN -139 HA -0.03 0.27 0.95 -0.75 4.76 5.20 3c4mB1 ASN -139 HB2 -0.02 0.12 -0.01 -0.04 2.88 2.93 3c4mB1 ASN -139 HB3 -0.03 -0.12 0.09 -0.04 2.79 2.69 3c4mB1 ASN -139 HD21 -0.01 0.02 0.01 -0.04 7.03 7.01 3c4mB1 ASN -139 HD22 -0.01 0.08 -0.02 -0.04 7.74 7.75 3c4mB1 ALA -138 H -0.04 0.29 0.12 -0.55 8.40 8.23 3c4mB1 ALA -138 HA -0.05 0.08 0.36 -0.75 4.34 3.98 3c4mB1 ALA -138 HB3 -0.03 0.06 -0.04 -0.04 1.41 1.35 3c4mB1 ASP -137 H -0.03 0.04 -0.36 -0.55 8.40 7.50 3c4mB1 ASP -137 HA -0.02 0.11 0.31 -0.75 4.63 4.28 3c4mB1 ASP -137 HB2 -0.02 -0.00 -0.02 -0.04 2.71 2.63 3c4mB1 ASP -137 HB3 -0.01 -0.03 0.02 -0.04 2.70 2.64 3c4mB1 THR -136 H -0.05 0.40 -0.38 -0.55 8.28 7.70 3c4mB1 THR -136 HA -0.04 -0.07 0.33 -0.75 4.39 3.86 3c4mB1 THR -136 HB -0.12 0.12 0.16 -0.04 4.32 4.44 3c4mB1 THR -136 HG23 -0.07 -0.04 -0.15 -0.04 1.22 0.92 3c4mB1 ASP -135 H -0.03 0.06 0.22 -0.55 8.40 8.11 3c4mB1 ASP -135 HA -0.03 0.08 0.91 -0.75 4.63 4.83 3c4mB1 ASP -135 HB2 0.03 -0.12 0.24 -0.04 2.71 2.82 3c4mB1 ASP -135 HB3 0.00 0.25 0.07 -0.04 2.70 2.98 3c4mB1 TYR -134 H 0.10 0.19 0.19 -0.55 8.29 8.22 3c4mB1 TYR -134 HA -0.12 0.09 0.38 -0.75 4.56 4.15 3c4mB1 TYR -134 HB2 -0.08 -0.01 0.18 -0.04 3.06 3.11 3c4mB1 TYR -134 HB3 -0.01 0.00 0.16 -0.04 2.98 3.09 3c4mB1 TYR -134 HD2 -0.06 -0.01 -0.09 -0.04 7.15 6.95 3c4mB1 TYR -134 HE2 0.38 0.04 0.01 -0.04 6.85 7.23 3c4mB1 SER -133 H 0.14 0.09 -0.03 -0.55 8.46 8.12 3c4mB1 SER -133 HA 0.10 0.14 0.41 -0.75 4.49 4.38 3c4mB1 SER -133 HB2 0.07 0.11 0.06 -0.04 3.95 4.15 3c4mB1 SER -133 HB3 0.12 0.00 0.10 -0.04 3.93 4.11 3c4mB1 ILE -132 H 0.01 -0.01 -0.30 -0.55 8.25 7.40 3c4mB1 ILE -132 HA 0.00 0.13 0.30 -0.75 4.18 3.86 3c4mB1 ILE -132 HB -0.02 -0.08 0.10 -0.04 1.89 1.85 3c4mB1 ILE -132 HG12 0.00 -0.15 0.07 -0.04 1.49 1.36 3c4mB1 ILE -132 HG13 -0.01 0.11 -0.01 -0.04 1.21 1.27 3c4mB1 ILE -132 HG23 -0.01 0.04 -0.13 -0.04 0.93 0.79 3c4mB1 ILE -132 HD13 0.01 0.02 -0.06 -0.04 0.88 0.81 3c4mB1 ALA -131 H -0.06 0.40 -0.19 -0.55 8.40 8.00 3c4mB1 ALA -131 HA -0.00 0.08 0.36 -0.75 4.34 4.02 3c4mB1 ALA -131 HB3 -0.08 0.06 -0.18 -0.04 1.41 1.16 3c4mB1 GLU -130 H -0.16 0.44 -0.16 -0.55 8.60 8.17 3c4mB1 GLU -130 HA -0.05 0.05 0.40 -0.75 4.29 3.94 3c4mB1 GLU -130 HB2 -0.36 -0.05 0.09 -0.04 2.09 1.73 3c4mB1 GLU -130 HB3 -0.08 0.01 0.14 -0.04 1.99 2.02 3c4mB1 GLU -130 HG2 0.03 0.06 -0.30 -0.04 2.34 2.09 3c4mB1 GLU -130 HG3 -0.00 -0.01 -0.01 -0.04 2.34 2.28 3c4mB1 ALA -129 H -0.00 0.56 -0.10 -0.55 8.40 8.31 3c4mB1 ALA -129 HA 0.03 0.05 0.42 -0.75 4.34 4.09 3c4mB1 ALA -129 HB3 0.02 0.00 0.07 -0.04 1.41 1.46 3c4mB1 ALA -128 H 0.02 0.46 -0.20 -0.55 8.40 8.14 3c4mB1 ALA -128 HA 0.01 0.06 0.37 -0.75 4.34 4.02 3c4mB1 ALA -128 HB3 0.04 0.01 0.02 -0.04 1.41 1.44 3c4mB1 PHE -127 H 0.16 0.56 -0.10 -0.55 8.34 8.40 3c4mB1 PHE -127 HA -0.00 0.07 0.34 -0.75 4.62 4.27 3c4mB1 PHE -127 HB2 -0.01 0.03 0.02 -0.04 3.15 3.15 3c4mB1 PHE -127 HB3 -0.04 -0.01 0.07 -0.04 3.06 3.04 3c4mB1 PHE -127 HD2 -0.03 0.01 -0.35 -0.04 7.28 6.86 3c4mB1 PHE -127 HE2 -0.06 0.06 -0.31 -0.04 7.38 7.03 3c4mB1 PHE -127 HZ 0.01 0.06 -0.62 -0.04 7.32 6.73 3c4mB1 ASN -126 H 0.12 0.55 -0.16 -0.55 8.53 8.49 3c4mB1 ASN -126 HA -0.03 0.00 0.25 -0.75 4.76 4.23 3c4mB1 ASN -126 HB2 0.04 0.07 0.08 -0.04 2.88 3.03 3c4mB1 ASN -126 HB3 0.02 -0.01 0.06 -0.04 2.79 2.82 3c4mB1 ASN -126 HD21 0.05 -0.14 -0.22 -0.04 7.03 6.69 3c4mB1 ASN -126 HD22 0.05 0.01 -0.15 -0.04 7.74 7.61 3c4mB1 LYS -125 H -0.03 0.37 -0.40 -0.55 8.42 7.81 3c4mB1 LYS -125 HA -0.04 0.13 0.75 -0.75 4.32 4.40 3c4mB1 LYS -125 HB2 -0.02 0.07 0.12 -0.04 1.87 2.00 3c4mB1 LYS -125 HB3 -0.02 -0.05 0.12 -0.04 1.79 1.80 3c4mB1 LYS -125 HG2 -0.01 -0.02 0.04 -0.04 1.46 1.43 3c4mB1 LYS -125 HG3 -0.00 -0.01 -0.02 -0.04 1.46 1.38 3c4mB1 LYS -125 HD2 0.00 -0.09 -0.03 -0.04 1.69 1.53 3c4mB1 LYS -125 HD3 0.00 -0.01 -0.11 -0.04 1.68 1.52 3c4mB1 LYS -125 HE2 -0.00 0.02 -0.01 -0.04 2.99 2.96 3c4mB1 LYS -125 HE3 -0.00 0.02 0.01 -0.04 2.99 2.97 3c4mB1 GLY -124 H -0.18 0.50 -0.30 -0.55 8.43 7.91 3c4mB1 GLY -124 HA2 -0.23 0.02 0.29 -0.51 4.01 3.58 3c4mB1 GLY -124 HA3 -0.11 0.06 0.47 -0.51 4.01 3.92 3c4mB1 GLU -123 H -0.07 0.54 0.03 -0.55 8.60 8.55 3c4mB1 GLU -123 HA -0.02 0.19 0.43 -0.75 4.29 4.13 3c4mB1 GLU -123 HB2 -0.00 -0.05 0.06 -0.04 2.09 2.05 3c4mB1 GLU -123 HB3 0.00 -0.05 0.03 -0.04 1.99 1.93 3c4mB1 GLU -123 HG2 -0.01 0.07 -0.07 -0.04 2.34 2.29 3c4mB1 GLU -123 HG3 -0.02 0.08 -0.22 -0.04 2.34 2.14 3c4mB1 THR -122 H -0.04 0.22 -0.16 -0.55 8.28 7.76 3c4mB1 THR -122 HA 0.05 0.18 0.80 -0.75 4.39 4.66 3c4mB1 THR -122 HB 0.07 -0.01 -0.26 -0.04 4.32 4.08 3c4mB1 THR -122 HG23 0.20 -0.03 -0.22 -0.04 1.22 1.13 3c4mB1 ALA -121 H 0.07 0.72 0.23 -0.55 8.40 8.88 3c4mB1 ALA -121 HA 0.06 0.02 0.51 -0.75 4.34 4.18 3c4mB1 ALA -121 HB3 0.07 0.02 0.11 -0.04 1.41 1.56 3c4mB1 MET -120 H 0.20 0.14 -0.08 -0.55 8.47 8.19 3c4mB1 MET -120 HA 0.29 0.28 1.12 -0.75 4.52 5.46 3c4mB1 MET -120 HB2 0.06 0.01 0.08 -0.04 2.15 2.27 3c4mB1 MET -120 HB3 0.01 -0.03 0.01 -0.04 2.03 1.99 3c4mB1 MET -120 HG2 0.11 0.02 -0.04 -0.04 2.63 2.67 3c4mB1 MET -120 HG3 0.10 -0.01 -0.41 -0.04 2.56 2.20 3c4mB1 MET -120 HE3 -0.02 -0.01 -0.14 -0.04 2.10 1.89 3c4mB1 THR -119 H -0.17 0.88 0.44 -0.55 8.28 8.88 3c4mB1 THR -119 HA 0.06 0.17 0.55 -0.75 4.39 4.42 3c4mB1 THR -119 HB -0.07 0.06 -0.00 -0.04 4.32 4.27 3c4mB1 THR -119 HG23 -0.75 -0.02 -0.15 -0.04 1.22 0.26 3c4mB1 ILE -118 H 0.09 0.20 0.19 -0.55 8.25 8.17 3c4mB1 ILE -118 HA -0.05 0.36 1.05 -0.75 4.18 4.79 3c4mB1 ILE -118 HB -0.22 -0.09 0.12 -0.04 1.89 1.66 3c4mB1 ILE -118 HG12 -0.17 0.09 -0.07 -0.04 1.49 1.31 3c4mB1 ILE -118 HG13 -0.22 -0.07 -0.39 -0.04 1.21 0.48 3c4mB1 ILE -118 HG23 0.01 0.01 -0.10 -0.04 0.93 0.81 3c4mB1 ILE -118 HD13 -0.45 0.00 -0.10 -0.04 0.88 0.30 3c4mB1 ASN -117 H -0.01 0.61 0.30 -0.55 8.53 8.89 3c4mB1 ASN -117 HA 0.31 0.02 0.58 -0.75 4.76 4.92 3c4mB1 ASN -117 HB2 -0.05 0.01 -0.40 -0.04 2.88 2.40 3c4mB1 ASN -117 HB3 -0.15 0.09 -0.08 -0.04 2.79 2.60 3c4mB1 ASN -117 HD21 -0.23 -0.06 0.04 -0.04 7.03 6.74 3c4mB1 ASN -117 HD22 -0.16 0.06 -0.03 -0.04 7.74 7.57 3c4mB1 GLY -116 H -0.76 0.05 0.15 -0.55 8.43 7.32 3c4mB1 GLY -116 HA2 -0.64 0.35 0.76 -0.51 4.01 3.97 3c4mB1 GLY -116 HA3 -2.21 -0.03 0.30 -0.51 4.01 1.56 3c4mB1 PRO -115 HA -3.34 0.08 0.37 -0.51 4.44 1.04 3c4mB1 PRO -115 HB2 -0.53 0.17 -0.30 -0.04 2.28 1.57 3c4mB1 PRO -115 HB3 -1.35 -0.01 -0.04 -0.04 2.02 0.58 3c4mB1 PRO -115 HG2 -0.27 0.03 0.10 -0.04 2.03 1.85 3c4mB1 PRO -115 HG3 -0.52 0.12 0.09 -0.04 2.03 1.68 3c4mB1 PRO -115 HD2 -0.52 0.04 0.17 -0.04 3.68 3.32 3c4mB1 PRO -115 HD3 -0.47 0.39 0.29 -0.04 3.65 3.82 3c4mB1 TRP -114 H -0.59 0.01 -0.33 -0.55 7.97 6.53 3c4mB1 TRP -114 HA -0.19 0.17 0.33 -0.75 4.62 4.17 3c4mB1 TRP -114 HB2 -0.10 0.32 0.06 -0.04 3.23 3.48 3c4mB1 TRP -114 HB3 -0.15 -0.02 0.00 -0.04 3.23 3.03 3c4mB1 TRP -114 HD1 0.06 0.09 -0.21 -0.04 7.22 7.12 3c4mB1 TRP -114 HE1 0.33 -0.01 0.00 -0.04 10.20 10.48 3c4mB1 TRP -114 HE3 -0.17 0.13 -0.06 -0.04 7.59 7.46 3c4mB1 TRP -114 HZ2 0.21 0.01 0.00 -0.04 7.44 7.62 3c4mB1 TRP -114 HZ3 -0.08 0.03 -0.05 -0.04 7.13 6.99 3c4mB1 TRP -114 HH2 0.09 0.05 -0.09 -0.04 7.19 7.20 3c4mB1 ALA -113 H -0.87 0.43 -0.37 -0.55 8.40 7.04 3c4mB1 ALA -113 HA 0.12 0.09 0.49 -0.75 4.34 4.28 3c4mB1 ALA -113 HB3 -0.13 0.02 0.03 -0.04 1.41 1.29 3c4mB1 TRP -112 H -0.28 0.39 -0.18 -0.55 7.97 7.35 3c4mB1 TRP -112 HA -0.21 0.04 0.26 -0.75 4.62 3.96 3c4mB1 TRP -112 HB2 0.03 0.10 0.06 -0.04 3.23 3.38 3c4mB1 TRP -112 HB3 0.15 0.00 0.03 -0.04 3.23 3.37 3c4mB1 TRP -112 HD1 -0.14 -0.03 -0.15 -0.04 7.22 6.87 3c4mB1 TRP -112 HE1 -0.10 0.04 -0.21 -0.04 10.20 9.90 3c4mB1 TRP -112 HE3 0.03 0.05 0.02 -0.04 7.59 7.64 3c4mB1 TRP -112 HZ2 -0.06 0.10 -0.06 -0.04 7.44 7.38 3c4mB1 TRP -112 HZ3 -0.00 -0.01 -0.06 -0.04 7.13 7.02 3c4mB1 TRP -112 HH2 -0.02 0.02 -0.35 -0.04 7.19 6.80 3c4mB1 SER -111 H 0.13 0.22 -0.34 -0.55 8.46 7.93 3c4mB1 SER -111 HA 0.14 0.08 0.46 -0.75 4.49 4.41 3c4mB1 SER -111 HB2 0.09 0.08 0.13 -0.04 3.95 4.21 3c4mB1 SER -111 HB3 0.08 0.04 0.20 -0.04 3.93 4.21 3c4mB1 ASN -110 H 0.07 0.20 -0.05 -0.55 8.53 8.22 3c4mB1 ASN -110 HA 0.05 0.08 0.57 -0.75 4.76 4.70 3c4mB1 ASN -110 HB2 0.07 0.07 0.09 -0.04 2.88 3.06 3c4mB1 ASN -110 HB3 0.05 0.01 0.04 -0.04 2.79 2.85 3c4mB1 ASN -110 HD21 0.10 -0.01 0.02 -0.04 7.03 7.10 3c4mB1 ASN -110 HD22 0.13 -0.04 0.02 -0.04 7.74 7.82 3c4mB1 ILE -109 H 0.00 0.26 -0.32 -0.55 8.25 7.64 3c4mB1 ILE -109 HA -0.01 0.10 0.65 -0.75 4.18 4.16 3c4mB1 ILE -109 HB -0.74 0.07 0.03 -0.04 1.89 1.21 3c4mB1 ILE -109 HG12 -0.02 -0.03 -0.08 -0.04 1.49 1.32 3c4mB1 ILE -109 HG13 -0.09 0.23 -0.01 -0.04 1.21 1.30 3c4mB1 ILE -109 HG23 -0.14 0.01 -0.05 -0.04 0.93 0.71 3c4mB1 ILE -109 HD13 -0.31 -0.03 -0.17 -0.04 0.88 0.33 3c4mB1 ASP -108 H 0.08 0.52 -0.02 -0.55 8.40 8.43 3c4mB1 ASP -108 HA 0.18 0.04 0.55 -0.75 4.63 4.64 3c4mB1 ASP -108 HB2 0.11 0.19 0.22 -0.04 2.71 3.19 3c4mB1 ASP -108 HB3 0.10 -0.05 0.05 -0.04 2.70 2.75 3c4mB1 THR -107 H 0.05 0.29 -0.24 -0.55 8.28 7.83 3c4mB1 THR -107 HA 0.04 0.03 0.43 -0.75 4.39 4.14 3c4mB1 THR -107 HB 0.03 0.11 0.13 -0.04 4.32 4.55 3c4mB1 THR -107 HG23 0.02 -0.02 -0.01 -0.04 1.22 1.17 3c4mB1 SER -106 H 0.03 0.21 -0.41 -0.55 8.46 7.74 3c4mB1 SER -106 HA 0.01 0.06 0.41 -0.75 4.49 4.21 3c4mB1 SER -106 HB2 -0.01 0.25 0.19 -0.04 3.95 4.34 3c4mB1 SER -106 HB3 0.01 -0.03 0.15 -0.04 3.93 4.02 3c4mB1 LYS -105 H 0.04 0.27 -0.35 -0.55 8.42 7.83 3c4mB1 LYS -105 HA 0.04 0.03 0.26 -0.75 4.32 3.89 3c4mB1 LYS -105 HB2 0.01 -0.10 0.16 -0.04 1.87 1.89 3c4mB1 LYS -105 HB3 0.02 0.01 -0.04 -0.04 1.79 1.73 3c4mB1 LYS -105 HG2 0.01 0.01 -0.35 -0.04 1.46 1.08 3c4mB1 LYS -105 HG3 -0.00 0.23 0.16 -0.04 1.46 1.80 3c4mB1 LYS -105 HD2 -0.00 -0.07 0.05 -0.04 1.69 1.63 3c4mB1 LYS -105 HD3 0.00 -0.06 -0.01 -0.04 1.68 1.58 3c4mB1 LYS -105 HE2 -0.00 0.02 0.01 -0.04 2.99 2.97 3c4mB1 LYS -105 HE3 -0.01 0.04 0.03 -0.04 2.99 3.01 3c4mB1 VAL -104 H 0.02 0.13 -0.27 -0.55 8.24 7.57 3c4mB1 VAL -104 HA -0.05 0.09 0.67 -0.75 4.13 4.09 3c4mB1 VAL -104 HB -0.04 -0.04 0.05 -0.04 2.12 2.05 3c4mB1 VAL -104 HG13 -0.24 -0.04 -0.31 -0.04 0.97 0.35 3c4mB1 VAL -104 HG23 -0.19 0.08 -0.03 -0.04 0.95 0.76 3c4mB1 ASN -103 H -0.02 0.15 0.05 -0.55 8.53 8.16 3c4mB1 ASN -103 HA -0.01 0.12 0.68 -0.75 4.76 4.80 3c4mB1 ASN -103 HB2 -0.03 0.07 0.10 -0.04 2.88 2.98 3c4mB1 ASN -103 HB3 -0.04 -0.15 0.20 -0.04 2.79 2.76 3c4mB1 ASN -103 HD21 -0.06 0.01 -0.04 -0.04 7.03 6.90 3c4mB1 ASN -103 HD22 -0.04 -0.00 -0.02 -0.04 7.74 7.63 3c4mB1 TYR -102 H -0.04 0.24 0.18 -0.55 8.29 8.12 3c4mB1 TYR -102 HA -0.16 0.24 1.19 -0.75 4.56 5.07 3c4mB1 TYR -102 HB2 0.10 0.09 -0.01 -0.04 3.06 3.20 3c4mB1 TYR -102 HB3 0.15 -0.02 -0.23 -0.04 2.98 2.84 3c4mB1 TYR -102 HD2 -0.09 0.19 -0.13 -0.04 7.15 7.08 3c4mB1 TYR -102 HE2 -0.30 -0.02 -0.11 -0.04 6.85 6.37 3c4mB1 GLY -101 H -0.64 0.57 0.35 -0.55 8.43 8.16 3c4mB1 GLY -101 HA2 -0.43 0.13 0.85 -0.51 4.01 4.05 3c4mB1 GLY -101 HA3 -0.63 0.06 0.33 -0.51 4.01 3.26 3c4mB1 VAL -100 H -0.17 0.19 0.15 -0.55 8.24 7.87 3c4mB1 VAL -100 HA 0.06 0.31 1.01 -0.75 4.13 4.76 3c4mB1 VAL -100 HB -0.20 -0.07 0.13 -0.04 2.12 1.94 3c4mB1 VAL -100 HG13 0.15 0.01 -0.11 -0.04 0.97 0.99 3c4mB1 VAL -100 HG23 -0.43 -0.01 -0.16 -0.04 0.95 0.31 3c4mB1 THR -99 H 0.09 0.75 0.29 -0.55 8.28 8.86 3c4mB1 THR -99 HA 0.03 0.12 0.92 -0.75 4.39 4.71 3c4mB1 THR -99 HB 0.15 -0.02 -0.32 -0.04 4.32 4.08 3c4mB1 THR -99 HG23 -0.08 0.10 -0.17 -0.04 1.22 1.03 3c4mB1 VAL -98 H -0.02 0.11 0.14 -0.55 8.24 7.92 3c4mB1 VAL -98 HA -0.00 0.01 0.53 -0.75 4.13 3.91 3c4mB1 VAL -98 HB -0.04 0.03 0.04 -0.04 2.12 2.11 3c4mB1 VAL -98 HG13 -0.01 0.07 -0.00 -0.04 0.97 0.98 3c4mB1 VAL -98 HG23 -0.01 -0.02 0.07 -0.04 0.95 0.95 3c4mB1 LEU -97 H -0.01 0.08 0.18 -0.55 8.37 8.07 3c4mB1 LEU -97 HA -0.12 0.04 0.43 -0.75 4.35 3.95 3c4mB1 LEU -97 HB2 0.03 0.03 0.06 -0.04 1.64 1.72 3c4mB1 LEU -97 HB3 0.03 0.06 0.01 -0.04 1.64 1.70 3c4mB1 LEU -97 HG -0.00 -0.04 0.01 -0.04 1.64 1.56 3c4mB1 LEU -97 HD13 0.04 -0.00 -0.14 -0.04 0.93 0.79 3c4mB1 LEU -97 HD23 -0.05 -0.01 -0.23 -0.04 0.89 0.56 3c4mB1 PRO -96 HA -0.15 0.24 0.28 -0.51 4.44 4.30 3c4mB1 PRO -96 HB2 -0.88 -0.08 -0.26 -0.04 2.28 1.02 3c4mB1 PRO -96 HB3 -0.37 -0.06 -0.64 -0.04 2.02 0.91 3c4mB1 PRO -96 HG2 -1.41 -0.03 -0.12 -0.04 2.03 0.43 3c4mB1 PRO -96 HG3 -0.52 0.17 -0.14 -0.04 2.03 1.51 3c4mB1 PRO -96 HD2 -0.55 0.02 0.06 -0.04 3.68 3.18 3c4mB1 PRO -96 HD3 -0.38 0.10 0.12 -0.04 3.65 3.45 3c4mB1 THR -95 H -0.01 0.68 0.34 -0.55 8.28 8.74 3c4mB1 THR -95 HA 0.13 0.20 0.65 -0.75 4.39 4.62 3c4mB1 THR -95 HB 0.03 0.01 -0.43 -0.04 4.32 3.89 3c4mB1 THR -95 HG23 0.00 0.05 -0.15 -0.04 1.22 1.09 3c4mB1 PHE -94 H 0.18 0.95 0.15 -0.55 8.34 9.07 3c4mB1 PHE -94 HA -0.03 -0.07 0.75 -0.75 4.62 4.51 3c4mB1 PHE -94 HB2 -0.16 0.01 -0.06 -0.04 3.15 2.91 3c4mB1 PHE -94 HB3 -0.13 0.12 0.07 -0.04 3.06 3.08 3c4mB1 PHE -94 HD2 -0.37 -0.04 -0.01 -0.04 7.28 6.82 3c4mB1 PHE -94 HE2 -0.30 -0.03 -0.12 -0.04 7.38 6.88 3c4mB1 PHE -94 HZ -0.05 0.07 -0.19 -0.04 7.32 7.10 3c4mB1 LYS -93 H -0.48 0.09 0.08 -0.55 8.42 7.55 3c4mB1 LYS -93 HA -0.31 0.02 0.31 -0.75 4.32 3.58 3c4mB1 LYS -93 HB2 -0.48 0.21 -0.09 -0.04 1.87 1.47 3c4mB1 LYS -93 HB3 -0.29 0.04 0.22 -0.04 1.79 1.73 3c4mB1 LYS -93 HG2 -0.47 0.01 0.04 -0.04 1.46 1.00 3c4mB1 LYS -93 HG3 -1.54 -0.09 -0.07 -0.04 1.46 -0.28 3c4mB1 LYS -93 HD2 -0.46 -0.03 -0.05 -0.04 1.69 1.12 3c4mB1 LYS -93 HD3 -0.42 0.04 -0.05 -0.04 1.68 1.21 3c4mB1 LYS -93 HE2 -0.17 0.05 0.03 -0.04 2.99 2.85 3c4mB1 LYS -93 HE3 -0.18 -0.01 0.01 -0.04 2.99 2.76 3c4mB1 GLY -92 H -0.09 -0.02 -0.29 -0.55 8.43 7.49 3c4mB1 GLY -92 HA2 -0.04 -0.03 0.20 -0.51 4.01 3.63 3c4mB1 GLY -92 HA3 -0.06 0.09 0.35 -0.51 4.01 3.89 3c4mB1 GLN -91 H -0.05 0.32 -0.73 -0.55 8.47 7.47 3c4mB1 GLN -91 HA -0.01 0.17 0.78 -0.75 4.36 4.56 3c4mB1 GLN -91 HB2 -0.02 0.06 0.01 -0.04 2.15 2.16 3c4mB1 GLN -91 HB3 0.00 0.21 0.03 -0.04 2.02 2.22 3c4mB1 GLN -91 HG2 -0.02 -0.02 0.02 -0.04 2.40 2.35 3c4mB1 GLN -91 HG3 -0.03 -0.07 -0.19 -0.04 2.39 2.06 3c4mB1 GLN -91 HE21 -0.09 -0.16 0.08 -0.04 6.97 6.76 3c4mB1 GLN -91 HE22 -0.10 0.47 0.14 -0.04 7.69 8.15 3c4mB1 PRO -90 HA 0.05 -0.04 0.35 -0.51 4.44 4.28 3c4mB1 PRO -90 HB2 0.02 0.27 -0.02 -0.04 2.28 2.51 3c4mB1 PRO -90 HB3 0.02 -0.05 0.11 -0.04 2.02 2.05 3c4mB1 PRO -90 HG2 0.01 0.11 0.08 -0.04 2.03 2.20 3c4mB1 PRO -90 HG3 0.01 0.00 0.11 -0.04 2.03 2.11 3c4mB1 PRO -90 HD2 0.00 0.09 0.24 -0.04 3.68 3.98 3c4mB1 PRO -90 HD3 0.00 0.10 0.21 -0.04 3.65 3.93 3c4mB1 SER -89 H 0.10 0.19 0.08 -0.55 8.46 8.28 3c4mB1 SER -89 HA 0.06 0.12 0.65 -0.75 4.49 4.57 3c4mB1 SER -89 HB2 0.12 -0.07 -0.02 -0.04 3.95 3.95 3c4mB1 SER -89 HB3 0.13 -0.17 -0.16 -0.04 3.93 3.70 3c4mB1 LYS -88 H -0.05 0.31 0.08 -0.55 8.42 8.21 3c4mB1 LYS -88 HA 0.03 0.34 0.69 -0.75 4.32 4.63 3c4mB1 LYS -88 HB2 -0.09 -0.16 0.07 -0.04 1.87 1.65 3c4mB1 LYS -88 HB3 0.01 -0.02 0.03 -0.04 1.79 1.77 3c4mB1 LYS -88 HG2 0.00 0.13 -0.45 -0.04 1.46 1.10 3c4mB1 LYS -88 HG3 -0.04 -0.00 -0.25 -0.04 1.46 1.12 3c4mB1 LYS -88 HD2 0.02 0.26 0.03 -0.04 1.69 1.95 3c4mB1 LYS -88 HD3 0.00 -0.02 -0.03 -0.04 1.68 1.59 3c4mB1 LYS -88 HE2 -0.01 0.02 -0.05 -0.04 2.99 2.90 3c4mB1 LYS -88 HE3 0.03 -0.09 -0.08 -0.04 2.99 2.81 3c4mB1 PRO -87 HA 0.14 -0.04 0.39 -0.51 4.44 4.43 3c4mB1 PRO -87 HB2 0.09 -0.05 -0.06 -0.04 2.28 2.21 3c4mB1 PRO -87 HB3 0.03 -0.03 0.05 -0.04 2.02 2.03 3c4mB1 PRO -87 HG2 0.09 0.05 -0.15 -0.04 2.03 1.98 3c4mB1 PRO -87 HG3 0.05 0.11 -0.03 -0.04 2.03 2.13 3c4mB1 PRO -87 HD2 0.06 0.29 0.07 -0.04 3.68 4.07 3c4mB1 PRO -87 HD3 0.05 0.13 -0.29 -0.04 3.65 3.50 3c4mB1 PHE -86 H 0.42 0.06 0.16 -0.55 8.34 8.43 3c4mB1 PHE -86 HA 0.28 0.29 0.81 -0.75 4.62 5.24 3c4mB1 PHE -86 HB2 0.38 -0.06 0.18 -0.04 3.15 3.61 3c4mB1 PHE -86 HB3 0.41 -0.08 -0.03 -0.04 3.06 3.32 3c4mB1 PHE -86 HD2 -0.05 0.15 0.01 -0.04 7.28 7.35 3c4mB1 PHE -86 HE2 -0.59 0.04 -0.06 -0.04 7.38 6.72 3c4mB1 PHE -86 HZ -0.29 -0.15 0.06 -0.04 7.32 6.89 3c4mB1 VAL -85 H 0.47 0.76 0.26 -0.55 8.24 9.17 3c4mB1 VAL -85 HA 0.29 0.18 0.66 -0.75 4.13 4.51 3c4mB1 VAL -85 HB 0.25 -0.10 -0.11 -0.04 2.12 2.13 3c4mB1 VAL -85 HG13 0.20 -0.00 -0.18 -0.04 0.97 0.94 3c4mB1 VAL -85 HG23 0.18 0.07 -0.13 -0.04 0.95 1.03 3c4mB1 GLY -84 H 0.27 0.58 0.38 -0.55 8.43 9.13 3c4mB1 GLY -84 HA2 0.38 0.11 0.96 -0.51 4.01 4.95 3c4mB1 GLY -84 HA3 0.17 -0.06 0.34 -0.51 4.01 3.96 3c4mB1 VAL -83 H 0.62 0.09 0.20 -0.55 8.24 8.60 3c4mB1 VAL -83 HA 0.03 0.39 1.05 -0.75 4.13 4.84 3c4mB1 VAL -83 HB -0.20 -0.04 0.17 -0.04 2.12 2.02 3c4mB1 VAL -83 HG13 -0.17 0.03 -0.09 -0.04 0.97 0.70 3c4mB1 VAL -83 HG23 -0.16 0.02 -0.12 -0.04 0.95 0.64 3c4mB1 LEU -82 H 0.03 0.53 0.20 -0.55 8.37 8.58 3c4mB1 LEU -82 HA 0.01 -0.04 0.39 -0.75 4.35 3.96 3c4mB1 LEU -82 HB2 -0.02 0.00 0.05 -0.04 1.64 1.64 3c4mB1 LEU -82 HB3 0.05 -0.03 0.15 -0.04 1.64 1.76 3c4mB1 LEU -82 HG 0.24 0.07 -0.29 -0.04 1.64 1.61 3c4mB1 LEU -82 HD13 0.02 -0.02 -0.16 -0.04 0.93 0.73 3c4mB1 LEU -82 HD23 0.05 0.00 -0.10 -0.04 0.89 0.80 3c4mB1 SER -81 H 0.09 0.54 0.32 -0.55 8.46 8.86 3c4mB1 SER -81 HA -0.11 0.22 1.00 -0.75 4.49 4.84 3c4mB1 SER -81 HB2 -0.50 0.02 -0.05 -0.04 3.95 3.38 3c4mB1 SER -81 HB3 -0.44 0.02 -0.16 -0.04 3.93 3.31 3c4mB1 ALA -80 H -0.21 0.65 0.26 -0.55 8.40 8.55 3c4mB1 ALA -80 HA -0.51 0.28 1.03 -0.75 4.34 4.40 3c4mB1 ALA -80 HB3 -0.68 -0.01 -0.00 -0.04 1.41 0.68 3c4mB1 GLY -79 H 0.09 0.64 0.34 -0.55 8.43 8.96 3c4mB1 GLY -79 HA2 0.07 0.17 0.99 -0.51 4.01 4.74 3c4mB1 GLY -79 HA3 0.39 0.07 0.36 -0.51 4.01 4.31 3c4mB1 ILE -78 H 0.09 0.28 0.18 -0.55 8.25 8.25 3c4mB1 ILE -78 HA 0.00 0.29 1.06 -0.75 4.18 4.77 3c4mB1 ILE -78 HB 0.07 0.01 0.07 -0.04 1.89 2.00 3c4mB1 ILE -78 HG12 0.04 0.00 -0.12 -0.04 1.49 1.38 3c4mB1 ILE -78 HG13 0.10 -0.09 -0.25 -0.04 1.21 0.93 3c4mB1 ILE -78 HG23 0.03 0.06 -0.03 -0.04 0.93 0.94 3c4mB1 ILE -78 HD13 0.13 0.02 -0.14 -0.04 0.88 0.86 3c4mB1 ASN -77 H -0.00 0.52 0.19 -0.55 8.53 8.69 3c4mB1 ASN -77 HA 0.21 0.21 0.55 -0.75 4.76 4.97 3c4mB1 ASN -77 HB2 0.07 0.09 0.05 -0.04 2.88 3.05 3c4mB1 ASN -77 HB3 -0.01 -0.10 0.24 -0.04 2.79 2.88 3c4mB1 ASN -77 HD21 -0.16 0.09 -0.09 -0.04 7.03 6.82 3c4mB1 ASN -77 HD22 -0.06 0.39 -0.21 -0.04 7.74 7.82 3c4mB1 ALA -76 H 0.06 0.75 0.11 -0.55 8.40 8.77 3c4mB1 ALA -76 HA 0.02 0.00 0.22 -0.75 4.34 3.83 3c4mB1 ALA -76 HB3 0.01 0.02 -0.32 -0.04 1.41 1.08 3c4mB1 ALA -75 H -0.03 0.01 -0.47 -0.55 8.40 7.37 3c4mB1 ALA -75 HA -0.03 0.16 0.63 -0.75 4.34 4.34 3c4mB1 ALA -75 HB3 -0.08 0.01 0.01 -0.04 1.41 1.31 3c4mB1 SER -74 H -0.02 0.37 -0.29 -0.55 8.46 7.97 3c4mB1 SER -74 HA -0.03 0.18 0.56 -0.75 4.49 4.44 3c4mB1 SER -74 HB2 -0.04 0.05 0.23 -0.04 3.95 4.15 3c4mB1 SER -74 HB3 -0.01 0.22 0.20 -0.04 3.93 4.31 3c4mB1 PRO -73 HA -0.00 0.16 0.69 -0.51 4.44 4.78 3c4mB1 PRO -73 HB2 -0.00 -0.05 0.15 -0.04 2.28 2.33 3c4mB1 PRO -73 HB3 -0.01 0.09 0.15 -0.04 2.02 2.21 3c4mB1 PRO -73 HG2 -0.01 -0.02 0.07 -0.04 2.03 2.03 3c4mB1 PRO -73 HG3 -0.02 0.10 0.12 -0.04 2.03 2.20 3c4mB1 PRO -73 HD2 -0.03 0.03 0.27 -0.04 3.68 3.91 3c4mB1 PRO -73 HD3 -0.03 0.37 0.30 -0.04 3.65 4.26 3c4mB1 ASN -72 H -0.01 0.14 -0.40 -0.55 8.53 7.72 3c4mB1 ASN -72 HA 0.02 0.18 0.81 -0.75 4.76 5.01 3c4mB1 ASN -72 HB2 -0.01 0.04 0.09 -0.04 2.88 2.96 3c4mB1 ASN -72 HB3 0.02 -0.10 0.12 -0.04 2.79 2.78 3c4mB1 ASN -72 HD21 -0.01 0.26 0.13 -0.04 7.03 7.37 3c4mB1 ASN -72 HD22 -0.02 -0.11 0.14 -0.04 7.74 7.71 3c4mB1 LYS -71 H 0.01 0.34 -0.38 -0.55 8.42 7.84 3c4mB1 LYS -71 HA 0.03 0.07 0.23 -0.75 4.32 3.89 3c4mB1 LYS -71 HB2 0.02 0.00 0.05 -0.04 1.87 1.90 3c4mB1 LYS -71 HB3 0.03 0.02 -0.03 -0.04 1.79 1.77 3c4mB1 LYS -71 HG2 0.02 -0.03 0.00 -0.04 1.46 1.42 3c4mB1 LYS -71 HG3 0.01 0.30 0.04 -0.04 1.46 1.77 3c4mB1 LYS -71 HD2 0.01 -0.03 0.02 -0.04 1.69 1.65 3c4mB1 LYS -71 HD3 0.02 -0.06 0.01 -0.04 1.68 1.62 3c4mB1 LYS -71 HE2 0.01 -0.05 0.05 -0.04 2.99 2.96 3c4mB1 LYS -71 HE3 0.02 -0.04 0.02 -0.04 2.99 2.94 3c4mB1 GLU -70 H 0.03 0.14 -0.22 -0.55 8.60 8.01 3c4mB1 GLU -70 HA 0.04 0.12 0.52 -0.75 4.29 4.22 3c4mB1 GLU -70 HB2 0.04 0.01 0.03 -0.04 2.09 2.13 3c4mB1 GLU -70 HB3 0.04 0.03 0.01 -0.04 1.99 2.03 3c4mB1 GLU -70 HG2 0.03 0.05 -0.00 -0.04 2.34 2.37 3c4mB1 GLU -70 HG3 0.03 0.01 -0.05 -0.04 2.34 2.29 3c4mB1 LEU -69 H 0.06 0.11 -0.16 -0.55 8.37 7.84 3c4mB1 LEU -69 HA 0.19 0.07 0.45 -0.75 4.35 4.31 3c4mB1 LEU -69 HB2 0.08 0.08 0.09 -0.04 1.64 1.85 3c4mB1 LEU -69 HB3 0.20 0.01 -0.10 -0.04 1.64 1.71 3c4mB1 LEU -69 HG 0.08 -0.05 0.01 -0.04 1.64 1.65 3c4mB1 LEU -69 HD13 0.06 0.01 -0.08 -0.04 0.93 0.89 3c4mB1 LEU -69 HD23 0.14 0.02 -0.03 -0.04 0.89 0.97 3c4mB1 ALA -68 H 0.03 0.74 -0.13 -0.55 8.40 8.50 3c4mB1 ALA -68 HA -0.03 -0.01 0.33 -0.75 4.34 3.87 3c4mB1 ALA -68 HB3 0.01 0.03 -0.03 -0.04 1.41 1.38 3c4mB1 LYS -67 H 0.04 0.42 -0.29 -0.55 8.42 8.04 3c4mB1 LYS -67 HA -0.03 0.00 0.45 -0.75 4.32 3.98 3c4mB1 LYS -67 HB2 0.07 0.08 0.12 -0.04 1.87 2.10 3c4mB1 LYS -67 HB3 0.04 0.12 0.18 -0.04 1.79 2.09 3c4mB1 LYS -67 HG2 -0.03 -0.01 -0.26 -0.04 1.46 1.11 3c4mB1 LYS -67 HG3 0.06 -0.07 -0.01 -0.04 1.46 1.40 3c4mB1 LYS -67 HD2 0.05 -0.01 -0.03 -0.04 1.69 1.67 3c4mB1 LYS -67 HD3 0.02 0.02 -0.02 -0.04 1.68 1.67 3c4mB1 LYS -67 HE2 -0.01 0.00 -0.05 -0.04 2.99 2.89 3c4mB1 LYS -67 HE3 -0.03 -0.07 -0.09 -0.04 2.99 2.75 3c4mB1 GLU -66 H 0.07 0.60 -0.14 -0.55 8.60 8.59 3c4mB1 GLU -66 HA 0.06 -0.01 0.40 -0.75 4.29 3.98 3c4mB1 GLU -66 HB2 0.15 0.05 0.11 -0.04 2.09 2.37 3c4mB1 GLU -66 HB3 0.31 0.09 0.13 -0.04 1.99 2.49 3c4mB1 GLU -66 HG2 0.55 -0.01 -0.19 -0.04 2.34 2.65 3c4mB1 GLU -66 HG3 0.21 -0.04 0.01 -0.04 2.34 2.47 3c4mB1 PHE -65 H 0.03 0.70 -0.14 -0.55 8.34 8.38 3c4mB1 PHE -65 HA -0.32 0.02 0.32 -0.75 4.62 3.88 3c4mB1 PHE -65 HB2 -1.28 0.04 0.01 -0.04 3.15 1.87 3c4mB1 PHE -65 HB3 -0.36 0.11 0.08 -0.04 3.06 2.85 3c4mB1 PHE -65 HD2 -0.62 0.05 -0.14 -0.04 7.28 6.53 3c4mB1 PHE -65 HE2 0.00 0.01 -0.31 -0.04 7.38 7.04 3c4mB1 PHE -65 HZ -0.01 0.03 -0.15 -0.04 7.32 7.15 3c4mB1 LEU -64 H -0.05 0.58 -0.20 -0.55 8.37 8.16 3c4mB1 LEU -64 HA -0.26 -0.06 0.33 -0.75 4.35 3.60 3c4mB1 LEU -64 HB2 -0.48 0.10 0.13 -0.04 1.64 1.35 3c4mB1 LEU -64 HB3 -0.50 -0.03 -0.01 -0.04 1.64 1.06 3c4mB1 LEU -64 HG 0.11 0.11 0.01 -0.04 1.64 1.83 3c4mB1 LEU -64 HD13 -0.06 -0.00 -0.14 -0.04 0.93 0.68 3c4mB1 LEU -64 HD23 0.08 -0.03 -0.09 -0.04 0.89 0.81 3c4mB1 GLU -63 H -0.27 0.66 -0.04 -0.55 8.60 8.39 3c4mB1 GLU -63 HA -0.14 0.05 0.38 -0.75 4.29 3.82 3c4mB1 GLU -63 HB2 -0.27 0.11 0.10 -0.04 2.09 1.99 3c4mB1 GLU -63 HB3 -0.56 -0.05 -0.02 -0.04 1.99 1.32 3c4mB1 GLU -63 HG2 -1.03 -0.03 -0.01 -0.04 2.34 1.23 3c4mB1 GLU -63 HG3 -0.48 0.09 0.07 -0.04 2.34 1.98 3c4mB1 ASN -62 H -0.06 0.56 -0.10 -0.55 8.53 8.39 3c4mB1 ASN -62 HA -0.09 0.12 0.55 -0.75 4.76 4.59 3c4mB1 ASN -62 HB2 0.05 0.21 0.05 -0.04 2.88 3.15 3c4mB1 ASN -62 HB3 -0.26 -0.05 0.04 -0.04 2.79 2.49 3c4mB1 ASN -62 HD21 0.01 -0.04 -0.02 -0.04 7.03 6.94 3c4mB1 ASN -62 HD22 0.08 0.02 -0.01 -0.04 7.74 7.78 3c4mB1 TYR -61 H -0.09 0.24 -0.25 -0.55 8.29 7.64 3c4mB1 TYR -61 HA -0.08 0.16 0.95 -0.75 4.56 4.83 3c4mB1 TYR -61 HB2 -0.48 0.15 0.15 -0.04 3.06 2.84 3c4mB1 TYR -61 HB3 -0.21 -0.05 -0.04 -0.04 2.98 2.64 3c4mB1 TYR -61 HD2 0.09 0.03 -0.17 -0.04 7.15 7.05 3c4mB1 TYR -61 HE2 0.19 0.00 -0.16 -0.04 6.85 6.84 3c4mB1 LEU -60 H -0.43 0.59 0.19 -0.55 8.37 8.17 3c4mB1 LEU -60 HA -0.18 0.02 0.47 -0.75 4.35 3.91 3c4mB1 LEU -60 HB2 -0.47 -0.02 -0.00 -0.04 1.64 1.10 3c4mB1 LEU -60 HB3 -0.23 0.07 0.16 -0.04 1.64 1.60 3c4mB1 LEU -60 HG 0.01 0.02 -0.31 -0.04 1.64 1.33 3c4mB1 LEU -60 HD13 0.02 -0.02 -0.11 -0.04 0.93 0.78 3c4mB1 LEU -60 HD23 0.35 -0.01 -0.11 -0.04 0.89 1.08 3c4mB1 LEU -59 H -0.08 0.74 0.06 -0.55 8.37 8.54 3c4mB1 LEU -59 HA -0.01 0.03 0.43 -0.75 4.35 4.04 3c4mB1 LEU -59 HB2 0.17 0.18 0.21 -0.04 1.64 2.16 3c4mB1 LEU -59 HB3 0.05 -0.06 0.18 -0.04 1.64 1.77 3c4mB1 LEU -59 HG 0.00 -0.06 -0.02 -0.04 1.64 1.51 3c4mB1 LEU -59 HD13 0.15 -0.00 -0.06 -0.04 0.93 0.97 3c4mB1 LEU -59 HD23 -0.02 -0.01 0.02 -0.04 0.89 0.84 3c4mB1 THR -58 H -0.06 0.58 -0.26 -0.55 8.28 8.00 3c4mB1 THR -58 HA -0.04 0.20 0.67 -0.75 4.39 4.47 3c4mB1 THR -58 HB -0.07 -0.15 0.12 -0.04 4.32 4.18 3c4mB1 THR -58 HG23 -0.07 0.05 -0.29 -0.04 1.22 0.88 3c4mB1 ASP -57 H -0.07 0.22 0.12 -0.55 8.40 8.12 3c4mB1 ASP -57 HA -0.27 0.05 0.47 -0.75 4.63 4.12 3c4mB1 ASP -57 HB2 -0.08 0.00 0.14 -0.04 2.71 2.73 3c4mB1 ASP -57 HB3 -0.16 0.07 0.00 -0.04 2.70 2.58 3c4mB1 GLU -56 H -0.11 0.11 -0.12 -0.55 8.60 7.93 3c4mB1 GLU -56 HA -0.13 0.10 0.36 -0.75 4.29 3.87 3c4mB1 GLU -56 HB2 -0.05 0.05 0.05 -0.04 2.09 2.10 3c4mB1 GLU -56 HB3 -0.04 0.06 0.01 -0.04 1.99 1.98 3c4mB1 GLU -56 HG2 -0.03 0.08 0.01 -0.04 2.34 2.35 3c4mB1 GLU -56 HG3 -0.06 0.00 -0.02 -0.04 2.34 2.23 3c4mB1 GLY -55 H -0.09 0.04 -0.18 -0.55 8.43 7.66 3c4mB1 GLY -55 HA2 -0.03 -0.00 0.44 -0.51 4.01 3.91 3c4mB1 GLY -55 HA3 -0.06 0.41 0.52 -0.51 4.01 4.36 3c4mB1 LEU -54 H -0.11 0.55 -0.03 -0.55 8.37 8.22 3c4mB1 LEU -54 HA 0.01 0.01 0.45 -0.75 4.35 4.06 3c4mB1 LEU -54 HB2 -0.10 0.08 0.12 -0.04 1.64 1.70 3c4mB1 LEU -54 HB3 0.19 -0.10 0.03 -0.04 1.64 1.72 3c4mB1 LEU -54 HG -0.01 0.26 0.18 -0.04 1.64 2.03 3c4mB1 LEU -54 HD13 0.10 -0.04 -0.04 -0.04 0.93 0.91 3c4mB1 LEU -54 HD23 0.05 -0.02 -0.05 -0.04 0.89 0.83 3c4mB1 GLU -53 H -0.30 0.43 -0.21 -0.55 8.60 7.97 3c4mB1 GLU -53 HA 0.05 -0.00 0.50 -0.75 4.29 4.09 3c4mB1 GLU -53 HB2 -0.52 0.14 0.16 -0.04 2.09 1.83 3c4mB1 GLU -53 HB3 -0.15 0.08 0.09 -0.04 1.99 1.97 3c4mB1 GLU -53 HG2 0.03 -0.02 -0.04 -0.04 2.34 2.26 3c4mB1 GLU -53 HG3 0.14 -0.04 0.06 -0.04 2.34 2.46 3c4mB1 ALA -52 H -0.04 0.45 -0.28 -0.55 8.40 7.98 3c4mB1 ALA -52 HA 0.01 0.05 0.46 -0.75 4.34 4.10 3c4mB1 ALA -52 HB3 0.01 0.06 0.07 -0.04 1.41 1.51 3c4mB1 VAL -51 H 0.01 0.36 -0.21 -0.55 8.24 7.85 3c4mB1 VAL -51 HA -0.00 -0.05 0.49 -0.75 4.13 3.81 3c4mB1 VAL -51 HB 0.03 0.12 0.10 -0.04 2.12 2.32 3c4mB1 VAL -51 HG13 -0.03 0.02 -0.08 -0.04 0.97 0.84 3c4mB1 VAL -51 HG23 -0.01 0.04 -0.08 -0.04 0.95 0.87 3c4mB1 ASN -50 H 0.07 0.53 -0.13 -0.55 8.53 8.45 3c4mB1 ASN -50 HA 0.08 0.08 0.21 -0.75 4.76 4.37 3c4mB1 ASN -50 HB2 0.21 0.15 0.13 -0.04 2.88 3.32 3c4mB1 ASN -50 HB3 0.20 0.07 0.08 -0.04 2.79 3.11 3c4mB1 ASN -50 HD21 0.14 -0.02 -0.02 -0.04 7.03 7.08 3c4mB1 ASN -50 HD22 0.17 0.10 -0.18 -0.04 7.74 7.79 3c4mB1 LYS -49 H 0.06 0.55 -0.20 -0.55 8.42 8.28 3c4mB1 LYS -49 HA 0.08 0.06 0.43 -0.75 4.32 4.13 3c4mB1 LYS -49 HB2 0.05 -0.02 0.04 -0.04 1.87 1.89 3c4mB1 LYS -49 HB3 0.06 -0.04 0.06 -0.04 1.79 1.83 3c4mB1 LYS -49 HG2 0.03 -0.09 -0.01 -0.04 1.46 1.35 3c4mB1 LYS -49 HG3 0.04 0.36 0.20 -0.04 1.46 2.02 3c4mB1 LYS -49 HD2 0.02 0.02 0.07 -0.04 1.69 1.75 3c4mB1 LYS -49 HD3 0.02 0.01 -0.24 -0.04 1.68 1.43 3c4mB1 LYS -49 HE2 0.03 0.00 -0.10 -0.04 2.99 2.87 3c4mB1 LYS -49 HE3 0.02 -0.04 -0.04 -0.04 2.99 2.89 3c4mB1 ASP -48 H 0.02 0.18 -0.51 -0.55 8.40 7.55 3c4mB1 ASP -48 HA -0.01 0.08 0.61 -0.75 4.63 4.56 3c4mB1 ASP -48 HB2 -0.03 0.04 0.13 -0.04 2.71 2.81 3c4mB1 ASP -48 HB3 -0.04 0.13 0.26 -0.04 2.70 3.02 3c4mB1 LYS -47 H 0.01 0.52 0.10 -0.55 8.42 8.49 3c4mB1 LYS -47 HA 0.05 0.17 0.60 -0.75 4.32 4.39 3c4mB1 LYS -47 HB2 0.00 -0.30 0.02 -0.04 1.87 1.56 3c4mB1 LYS -47 HB3 0.08 0.12 0.12 -0.04 1.79 2.06 3c4mB1 LYS -47 HG2 0.02 0.10 0.05 -0.04 1.46 1.59 3c4mB1 LYS -47 HG3 -0.06 -0.16 -0.59 -0.04 1.46 0.61 3c4mB1 LYS -47 HD2 -0.05 -0.21 -0.75 -0.04 1.69 0.64 3c4mB1 LYS -47 HD3 0.06 0.19 -0.07 -0.04 1.68 1.83 3c4mB1 LYS -47 HE2 -0.02 -0.01 -0.06 -0.04 2.99 2.85 3c4mB1 LYS -47 HE3 -0.17 -0.10 -0.15 -0.04 2.99 2.53 3c4mB1 PRO -46 HA 0.07 0.01 0.46 -0.51 4.44 4.46 3c4mB1 PRO -46 HB2 -0.34 0.02 -0.05 -0.04 2.28 1.86 3c4mB1 PRO -46 HB3 0.15 -0.02 0.07 -0.04 2.02 2.17 3c4mB1 PRO -46 HG2 0.39 -0.03 0.07 -0.04 2.03 2.42 3c4mB1 PRO -46 HG3 0.24 0.12 0.05 -0.04 2.03 2.39 3c4mB1 PRO -46 HD2 0.04 0.05 0.20 -0.04 3.68 3.92 3c4mB1 PRO -46 HD3 0.11 0.23 0.08 -0.04 3.65 4.02 3c4mB1 LEU -45 H 0.05 0.15 0.16 -0.55 8.37 8.18 3c4mB1 LEU -45 HA 0.05 0.08 0.38 -0.75 4.35 4.10 3c4mB1 LEU -45 HB2 0.07 0.04 -0.00 -0.04 1.64 1.70 3c4mB1 LEU -45 HB3 0.06 -0.07 -0.17 -0.04 1.64 1.41 3c4mB1 LEU -45 HG 0.06 0.10 -0.09 -0.04 1.64 1.67 3c4mB1 LEU -45 HD13 0.10 0.01 -0.04 -0.04 0.93 0.96 3c4mB1 LEU -45 HD23 0.03 -0.02 -0.10 -0.04 0.89 0.76 3c4mB1 GLY -44 H -0.03 0.09 -0.14 -0.55 8.43 7.81 3c4mB1 GLY -44 HA2 -0.07 0.02 0.27 -0.51 4.01 3.72 3c4mB1 GLY -44 HA3 0.00 0.29 0.81 -0.51 4.01 4.61 3c4mB1 ALA -43 H 0.06 0.57 0.21 -0.55 8.40 8.69 3c4mB1 ALA -43 HA 0.04 0.12 0.80 -0.75 4.34 4.55 3c4mB1 ALA -43 HB3 0.06 0.03 0.09 -0.04 1.41 1.55 3c4mB1 VAL -42 H 0.02 0.16 0.04 -0.55 8.24 7.91 3c4mB1 VAL -42 HA 0.04 0.04 0.46 -0.75 4.13 3.91 3c4mB1 VAL -42 HB 0.09 -0.00 0.08 -0.04 2.12 2.25 3c4mB1 VAL -42 HG13 0.11 0.02 -0.08 -0.04 0.97 0.98 3c4mB1 VAL -42 HG23 0.08 0.03 -0.11 -0.04 0.95 0.91 3c4mB1 ALA -41 H -0.03 0.72 0.13 -0.55 8.40 8.68 3c4mB1 ALA -41 HA 0.00 0.04 0.32 -0.75 4.34 3.94 3c4mB1 ALA -41 HB3 -0.25 0.00 -0.20 -0.04 1.41 0.92 3c4mB1 LEU -40 H -0.04 0.08 -0.11 -0.55 8.37 7.74 3c4mB1 LEU -40 HA -0.19 0.26 0.51 -0.75 4.35 4.18 3c4mB1 LEU -40 HB2 -0.06 0.08 0.02 -0.04 1.64 1.64 3c4mB1 LEU -40 HB3 0.04 -0.12 0.02 -0.04 1.64 1.53 3c4mB1 LEU -40 HG -0.06 -0.10 -0.08 -0.04 1.64 1.36 3c4mB1 LEU -40 HD13 -0.11 0.07 -0.05 -0.04 0.93 0.79 3c4mB1 LEU -40 HD23 0.00 -0.04 -0.25 -0.04 0.89 0.56 3c4mB1 LYS -39 H -0.29 0.70 0.39 -0.55 8.42 8.67 3c4mB1 LYS -39 HA -0.44 0.06 0.28 -0.75 4.32 3.47 3c4mB1 LYS -39 HB2 -0.25 0.12 0.18 -0.04 1.87 1.89 3c4mB1 LYS -39 HB3 -0.19 -0.02 -0.02 -0.04 1.79 1.51 3c4mB1 LYS -39 HG2 -1.12 -0.05 0.00 -0.04 1.46 0.25 3c4mB1 LYS -39 HG3 -1.02 0.01 -0.07 -0.04 1.46 0.35 3c4mB1 LYS -39 HD2 -0.16 -0.01 -0.02 -0.04 1.69 1.45 3c4mB1 LYS -39 HD3 -0.16 -0.05 -0.04 -0.04 1.68 1.38 3c4mB1 LYS -39 HE2 -0.26 -0.10 -0.57 -0.04 2.99 2.01 3c4mB1 LYS -39 HE3 -0.16 0.15 -0.26 -0.04 2.99 2.68 3c4mB1 SER -38 H -0.07 0.18 -0.04 -0.55 8.46 7.99 3c4mB1 SER -38 HA 0.01 0.08 0.33 -0.75 4.49 4.16 3c4mB1 SER -38 HB2 0.03 0.03 0.03 -0.04 3.95 3.99 3c4mB1 SER -38 HB3 -0.01 0.06 0.12 -0.04 3.93 4.06 3c4mB1 TYR -37 H 0.13 0.13 -0.26 -0.55 8.29 7.74 3c4mB1 TYR -37 HA 0.01 0.09 0.49 -0.75 4.56 4.40 3c4mB1 TYR -37 HB2 -0.00 -0.09 0.05 -0.04 3.06 2.98 3c4mB1 TYR -37 HB3 0.00 0.07 0.01 -0.04 2.98 3.02 3c4mB1 TYR -37 HD2 0.02 -0.01 0.02 -0.04 7.15 7.14 3c4mB1 TYR -37 HE2 0.03 0.02 -0.10 -0.04 6.85 6.76 3c4mB1 GLU -36 H 0.06 0.49 -0.16 -0.55 8.60 8.45 3c4mB1 GLU -36 HA -0.09 -0.05 0.49 -0.75 4.29 3.89 3c4mB1 GLU -36 HB2 0.14 0.12 -0.01 -0.04 2.09 2.30 3c4mB1 GLU -36 HB3 0.24 0.09 0.03 -0.04 1.99 2.31 3c4mB1 GLU -36 HG2 0.24 0.07 -0.11 -0.04 2.34 2.50 3c4mB1 GLU -36 HG3 0.15 0.00 -0.27 -0.04 2.34 2.18 3c4mB1 GLU -35 H 0.06 0.55 -0.09 -0.55 8.60 8.58 3c4mB1 GLU -35 HA 0.06 0.04 0.41 -0.75 4.29 4.04 3c4mB1 GLU -35 HB2 0.06 0.02 0.09 -0.04 2.09 2.22 3c4mB1 GLU -35 HB3 0.04 0.12 0.09 -0.04 1.99 2.20 3c4mB1 GLU -35 HG2 0.03 -0.00 -0.15 -0.04 2.34 2.17 3c4mB1 GLU -35 HG3 0.04 -0.02 0.01 -0.04 2.34 2.34 3c4mB1 GLU -34 H 0.01 0.24 -0.31 -0.55 8.60 8.00 3c4mB1 GLU -34 HA 0.01 0.09 0.52 -0.75 4.29 4.15 3c4mB1 GLU -34 HB2 -0.01 0.04 0.02 -0.04 2.09 2.10 3c4mB1 GLU -34 HB3 0.04 -0.02 0.08 -0.04 1.99 2.05 3c4mB1 GLU -34 HG2 0.07 -0.02 0.06 -0.04 2.34 2.40 3c4mB1 GLU -34 HG3 0.06 0.06 0.15 -0.04 2.34 2.57 3c4mB1 LEU -33 H -0.15 0.35 -0.04 -0.55 8.37 7.99 3c4mB1 LEU -33 HA -0.09 0.01 0.34 -0.75 4.35 3.86 3c4mB1 LEU -33 HB2 -0.39 0.18 0.24 -0.04 1.64 1.63 3c4mB1 LEU -33 HB3 -0.12 0.02 0.08 -0.04 1.64 1.58 3c4mB1 LEU -33 HG -0.06 -0.04 0.12 -0.04 1.64 1.62 3c4mB1 LEU -33 HD13 -0.43 0.00 0.02 -0.04 0.93 0.49 3c4mB1 LEU -33 HD23 -0.20 -0.01 0.08 -0.04 0.89 0.72 3c4mB1 ALA -32 H -0.02 0.35 -0.60 -0.55 8.40 7.58 3c4mB1 ALA -32 HA 0.01 -0.02 0.30 -0.75 4.34 3.87 3c4mB1 ALA -32 HB3 0.01 0.04 0.03 -0.04 1.41 1.45 3c4mB1 LYS -31 H -0.01 0.41 -0.30 -0.55 8.42 7.96 3c4mB1 LYS -31 HA -0.01 0.08 0.48 -0.75 4.32 4.11 3c4mB1 LYS -31 HB2 -0.01 0.07 0.06 -0.04 1.87 1.95 3c4mB1 LYS -31 HB3 -0.01 -0.05 0.13 -0.04 1.79 1.81 3c4mB1 LYS -31 HG2 -0.00 0.09 0.08 -0.04 1.46 1.59 3c4mB1 LYS -31 HG3 -0.00 -0.04 0.07 -0.04 1.46 1.45 3c4mB1 LYS -31 HD2 -0.01 -0.03 0.03 -0.04 1.69 1.65 3c4mB1 LYS -31 HD3 -0.00 0.01 -0.04 -0.04 1.68 1.61 3c4mB1 LYS -31 HE2 0.00 -0.03 -0.01 -0.04 2.99 2.92 3c4mB1 LYS -31 HE3 0.01 0.07 0.01 -0.04 2.99 3.03 3c4mB1 ASP -30 H -0.02 0.38 -0.38 -0.55 8.40 7.83 3c4mB1 ASP -30 HA -0.06 0.14 0.65 -0.75 4.63 4.61 3c4mB1 ASP -30 HB2 -0.01 0.07 0.16 -0.04 2.71 2.89 3c4mB1 ASP -30 HB3 0.01 -0.01 0.22 -0.04 2.70 2.88 3c4mB1 PRO -29 HA -0.06 0.10 0.40 -0.51 4.44 4.37 3c4mB1 PRO -29 HB2 -0.15 0.02 0.04 -0.04 2.28 2.15 3c4mB1 PRO -29 HB3 -0.08 0.06 0.15 -0.04 2.02 2.10 3c4mB1 PRO -29 HG2 -0.12 0.05 0.14 -0.04 2.03 2.06 3c4mB1 PRO -29 HG3 -0.07 0.11 0.16 -0.04 2.03 2.18 3c4mB1 PRO -29 HD2 -0.14 0.03 0.27 -0.04 3.68 3.80 3c4mB1 PRO -29 HD3 -0.08 0.34 0.42 -0.04 3.65 4.29 3c4mB1 ARG -28 H -0.25 0.13 -0.24 -0.55 8.46 7.55 3c4mB1 ARG -28 HA -0.29 0.15 0.53 -0.75 4.34 3.98 3c4mB1 ARG -28 HB2 -1.04 0.00 0.00 -0.04 1.90 0.83 3c4mB1 ARG -28 HB3 -1.83 0.01 0.04 -0.04 1.80 -0.02 3c4mB1 ARG -28 HG2 -0.69 0.02 0.01 -0.04 1.67 0.98 3c4mB1 ARG -28 HG3 -0.49 -0.04 0.06 -0.04 1.67 1.17 3c4mB1 ARG -28 HD2 -1.27 -0.01 -0.02 -0.04 3.22 1.88 3c4mB1 ARG -28 HD3 -0.61 0.08 0.01 -0.04 3.22 2.66 3c4mB1 ILE -27 H -0.02 0.28 -0.26 -0.55 8.25 7.70 3c4mB1 ILE -27 HA 0.28 0.02 0.63 -0.75 4.18 4.36 3c4mB1 ILE -27 HB 0.07 0.25 0.14 -0.04 1.89 2.31 3c4mB1 ILE -27 HG12 0.24 -0.09 -0.14 -0.04 1.49 1.47 3c4mB1 ILE -27 HG13 0.48 -0.12 -0.12 -0.04 1.21 1.41 3c4mB1 ILE -27 HG23 0.07 -0.02 -0.19 -0.04 0.93 0.75 3c4mB1 ILE -27 HD13 0.13 -0.01 0.05 -0.04 0.88 1.01 3c4mB1 ALA -26 H 0.00 0.52 -0.02 -0.55 8.40 8.36 3c4mB1 ALA -26 HA 0.01 0.05 0.53 -0.75 4.34 4.17 3c4mB1 ALA -26 HB3 -0.01 0.06 0.08 -0.04 1.41 1.50 3c4mB1 ALA -25 H 0.00 0.51 -0.23 -0.55 8.40 8.13 3c4mB1 ALA -25 HA 0.02 0.02 0.42 -0.75 4.34 4.03 3c4mB1 ALA -25 HB3 0.02 0.06 -0.08 -0.04 1.41 1.36 3c4mB1 THR -24 H 0.13 0.33 -0.34 -0.55 8.28 7.86 3c4mB1 THR -24 HA 0.10 0.06 0.30 -0.75 4.39 4.10 3c4mB1 THR -24 HB 0.15 0.15 0.16 -0.04 4.32 4.74 3c4mB1 THR -24 HG23 0.07 -0.01 0.01 -0.04 1.22 1.25 3c4mB1 MET -23 H 0.06 0.49 -0.33 -0.55 8.47 8.13 3c4mB1 MET -23 HA 0.03 -0.02 0.36 -0.75 4.52 4.14 3c4mB1 MET -23 HB2 0.01 0.16 0.16 -0.04 2.15 2.44 3c4mB1 MET -23 HB3 -0.01 -0.04 -0.01 -0.04 2.03 1.93 3c4mB1 MET -23 HG2 0.04 0.16 0.04 -0.04 2.63 2.83 3c4mB1 MET -23 HG3 0.00 -0.02 -0.02 -0.04 2.56 2.48 3c4mB1 MET -23 HE3 0.08 -0.00 -0.17 -0.04 2.10 1.97 3c4mB1 GLU -22 H 0.02 0.50 -0.16 -0.55 8.60 8.41 3c4mB1 GLU -22 HA -0.00 0.03 0.50 -0.75 4.29 4.07 3c4mB1 GLU -22 HB2 0.00 0.06 0.12 -0.04 2.09 2.24 3c4mB1 GLU -22 HB3 0.01 0.07 0.14 -0.04 1.99 2.17 3c4mB1 GLU -22 HG2 -0.00 -0.00 -0.08 -0.04 2.34 2.22 3c4mB1 GLU -22 HG3 -0.00 -0.01 0.06 -0.04 2.34 2.34 3c4mB1 ASN -21 H 0.03 0.63 -0.10 -0.55 8.53 8.54 3c4mB1 ASN -21 HA 0.03 0.06 0.57 -0.75 4.76 4.67 3c4mB1 ASN -21 HB2 0.05 0.06 0.12 -0.04 2.88 3.07 3c4mB1 ASN -21 HB3 0.05 0.03 0.06 -0.04 2.79 2.89 3c4mB1 ASN -21 HD21 0.02 0.08 0.19 -0.04 7.03 7.28 3c4mB1 ASN -21 HD22 0.04 0.02 -0.06 -0.04 7.74 7.71 3c4mB1 ALA -20 H 0.05 0.58 -0.17 -0.55 8.40 8.31 3c4mB1 ALA -20 HA 0.09 -0.02 0.28 -0.75 4.34 3.93 3c4mB1 ALA -20 HB3 0.06 -0.01 -0.01 -0.04 1.41 1.41 3c4mB1 GLN -19 H 0.01 0.55 -0.22 -0.55 8.47 8.27 3c4mB1 GLN -19 HA -0.03 -0.04 0.31 -0.75 4.36 3.85 3c4mB1 GLN -19 HB2 -0.03 0.21 0.19 -0.04 2.15 2.48 3c4mB1 GLN -19 HB3 -0.01 0.06 0.02 -0.04 2.02 2.05 3c4mB1 GLN -19 HG2 -0.03 -0.01 0.00 -0.04 2.40 2.32 3c4mB1 GLN -19 HG3 -0.06 -0.05 0.06 -0.04 2.39 2.30 3c4mB1 GLN -19 HE21 -0.05 -0.05 -0.02 -0.04 6.97 6.81 3c4mB1 GLN -19 HE22 -0.04 -0.00 -0.01 -0.04 7.69 7.60 3c4mB1 LYS -18 H 0.02 0.28 -0.39 -0.55 8.42 7.78 3c4mB1 LYS -18 HA 0.01 0.03 0.67 -0.75 4.32 4.27 3c4mB1 LYS -18 HB2 0.02 0.07 0.19 -0.04 1.87 2.12 3c4mB1 LYS -18 HB3 0.02 0.02 0.10 -0.04 1.79 1.90 3c4mB1 LYS -18 HG2 0.01 -0.05 0.06 -0.04 1.46 1.43 3c4mB1 LYS -18 HG3 0.00 -0.04 -0.02 -0.04 1.46 1.36 3c4mB1 LYS -18 HD2 0.01 0.01 -0.05 -0.04 1.69 1.62 3c4mB1 LYS -18 HD3 0.01 -0.02 0.03 -0.04 1.68 1.65 3c4mB1 LYS -18 HE2 -0.00 -0.00 0.02 -0.04 2.99 2.96 3c4mB1 LYS -18 HE3 -0.00 -0.04 0.00 -0.04 2.99 2.91 3c4mB1 GLY -17 H 0.06 0.18 -0.35 -0.55 8.43 7.77 3c4mB1 GLY -17 HA2 0.07 -0.02 0.60 -0.51 4.01 4.15 3c4mB1 GLY -17 HA3 0.11 0.13 0.34 -0.51 4.01 4.09 3c4mB1 GLU -16 H 0.22 0.33 0.17 -0.55 8.60 8.78 3c4mB1 GLU -16 HA 0.15 0.16 0.61 -0.75 4.29 4.46 3c4mB1 GLU -16 HB2 0.19 -0.05 0.12 -0.04 2.09 2.31 3c4mB1 GLU -16 HB3 0.14 0.12 -0.22 -0.04 1.99 1.99 3c4mB1 GLU -16 HG2 0.21 -0.03 -0.06 -0.04 2.34 2.42 3c4mB1 GLU -16 HG3 0.54 0.10 -0.26 -0.04 2.34 2.68 3c4mB1 ILE -15 H 0.19 0.15 0.10 -0.55 8.25 8.14 3c4mB1 ILE -15 HA 0.28 0.05 0.59 -0.75 4.18 4.34 3c4mB1 ILE -15 HB 0.17 -0.01 0.09 -0.04 1.89 2.10 3c4mB1 ILE -15 HG12 0.09 -0.02 -0.04 -0.04 1.49 1.48 3c4mB1 ILE -15 HG13 0.25 0.18 0.03 -0.04 1.21 1.63 3c4mB1 ILE -15 HG23 0.18 -0.00 -0.05 -0.04 0.93 1.02 3c4mB1 ILE -15 HD13 0.06 -0.03 -0.07 -0.04 0.88 0.80 3c4mB1 MET -14 H 0.30 0.45 0.33 -0.55 8.47 9.00 3c4mB1 MET -14 HA -0.62 0.05 0.56 -0.75 4.52 3.76 3c4mB1 MET -14 HB2 -0.19 -0.10 0.14 -0.04 2.15 1.96 3c4mB1 MET -14 HB3 -0.39 0.12 0.06 -0.04 2.03 1.79 3c4mB1 MET -14 HG2 -1.36 0.00 0.04 -0.04 2.63 1.26 3c4mB1 MET -14 HG3 0.02 0.07 -0.13 -0.04 2.56 2.49 3c4mB1 MET -14 HE3 0.10 -0.03 -0.15 -0.04 2.10 1.97 3c4mB1 PRO -13 HA -0.11 0.13 0.58 -0.51 4.44 4.53 3c4mB1 PRO -13 HB2 -0.41 -0.05 -0.00 -0.04 2.28 1.78 3c4mB1 PRO -13 HB3 -0.93 -0.01 0.14 -0.04 2.02 1.19 3c4mB1 PRO -13 HG2 -0.36 -0.05 0.09 -0.04 2.03 1.67 3c4mB1 PRO -13 HG3 -1.05 0.14 0.10 -0.04 2.03 1.19 3c4mB1 PRO -13 HD2 -0.64 0.01 0.24 -0.04 3.68 3.24 3c4mB1 PRO -13 HD3 -0.29 0.24 0.25 -0.04 3.65 3.81 3c4mB1 ASN -12 H 0.07 0.15 0.17 -0.55 8.53 8.38 3c4mB1 ASN -12 HA -0.07 0.23 0.91 -0.75 4.76 5.08 3c4mB1 ASN -12 HB2 0.10 -0.07 0.14 -0.04 2.88 3.01 3c4mB1 ASN -12 HB3 0.25 0.10 -0.08 -0.04 2.79 3.02 3c4mB1 ASN -12 HD21 0.26 0.33 -0.21 -0.04 7.03 7.37 3c4mB1 ASN -12 HD22 0.22 0.12 -0.07 -0.04 7.74 7.98 3c4mB1 ILE -11 H -0.10 -0.02 0.01 -0.55 8.25 7.59 3c4mB1 ILE -11 HA 0.10 0.16 0.35 -0.75 4.18 4.04 3c4mB1 ILE -11 HB -0.14 0.06 0.12 -0.04 1.89 1.90 3c4mB1 ILE -11 HG12 -0.40 -0.02 0.01 -0.04 1.49 1.04 3c4mB1 ILE -11 HG13 -0.41 -0.24 -0.17 -0.04 1.21 0.35 3c4mB1 ILE -11 HG23 0.05 0.02 0.11 -0.04 0.93 1.06 3c4mB1 ILE -11 HD13 -1.02 0.04 -0.07 -0.04 0.88 -0.21 3c4mB1 PRO -10 HA -0.11 0.04 0.35 -0.51 4.44 4.21 3c4mB1 PRO -10 HB2 -0.02 0.04 -0.01 -0.04 2.28 2.25 3c4mB1 PRO -10 HB3 -0.04 0.08 0.11 -0.04 2.02 2.13 3c4mB1 PRO -10 HG2 0.07 0.10 0.06 -0.04 2.03 2.22 3c4mB1 PRO -10 HG3 -0.08 0.20 -0.07 -0.04 2.03 2.04 3c4mB1 PRO -10 HD2 0.00 0.10 0.18 -0.04 3.68 3.92 3c4mB1 PRO -10 HD3 0.18 0.14 0.19 -0.04 3.65 4.12 3c4mB1 GLN -9 H -0.20 0.09 -0.49 -0.55 8.47 7.32 3c4mB1 GLN -9 HA 0.07 0.13 0.36 -0.75 4.36 4.16 3c4mB1 GLN -9 HB2 -0.69 -0.01 -0.05 -0.04 2.15 1.37 3c4mB1 GLN -9 HB3 -0.62 0.02 0.03 -0.04 2.02 1.41 3c4mB1 GLN -9 HG2 -0.82 0.07 -0.00 -0.04 2.40 1.61 3c4mB1 GLN -9 HG3 -0.15 0.05 -0.04 -0.04 2.39 2.21 3c4mB1 GLN -9 HE21 -0.07 0.03 0.01 -0.04 6.97 6.90 3c4mB1 GLN -9 HE22 -0.07 0.07 -0.01 -0.04 7.69 7.64 3c4mB1 MET -8 H -0.07 0.49 -0.46 -0.55 8.47 7.88 3c4mB1 MET -8 HA 0.12 0.02 0.34 -0.75 4.52 4.25 3c4mB1 MET -8 HB2 -0.01 0.24 -0.02 -0.04 2.15 2.31 3c4mB1 MET -8 HB3 0.07 -0.08 -0.10 -0.04 2.03 1.88 3c4mB1 MET -8 HG2 -0.19 -0.09 -0.13 -0.04 2.63 2.17 3c4mB1 MET -8 HG3 -0.17 0.28 -0.16 -0.04 2.56 2.47 3c4mB1 MET -8 HE3 -0.66 0.00 0.02 -0.04 2.10 1.41 3c4mB1 SER -7 H 0.10 0.32 -0.20 -0.55 8.46 8.14 3c4mB1 SER -7 HA 0.32 0.03 0.43 -0.75 4.49 4.52 3c4mB1 SER -7 HB2 0.09 -0.01 0.04 -0.04 3.95 4.04 3c4mB1 SER -7 HB3 0.05 0.03 0.07 -0.04 3.93 4.04 3c4mB1 ALA -6 H 0.22 0.20 -0.21 -0.55 8.40 8.06 3c4mB1 ALA -6 HA 0.18 0.06 0.54 -0.75 4.34 4.36 3c4mB1 ALA -6 HB3 0.30 0.06 0.09 -0.04 1.41 1.81 3c4mB1 PHE -5 H 0.42 0.45 -0.14 -0.55 8.34 8.51 3c4mB1 PHE -5 HA 0.04 0.05 0.45 -0.75 4.62 4.41 3c4mB1 PHE -5 HB2 -0.09 0.02 0.04 -0.04 3.15 3.08 3c4mB1 PHE -5 HB3 -0.14 0.08 0.17 -0.04 3.06 3.13 3c4mB1 PHE -5 HD2 -0.94 0.05 -0.02 -0.04 7.28 6.33 3c4mB1 PHE -5 HE2 -1.50 0.03 -0.09 -0.04 7.38 5.78 3c4mB1 PHE -5 HZ -2.37 0.03 -0.12 -0.04 7.32 4.82 3c4mB1 TRP -4 H 0.19 0.60 -0.11 -0.55 7.97 8.11 3c4mB1 TRP -4 HA -0.43 -0.01 0.35 -0.75 4.62 3.78 3c4mB1 TRP -4 HB2 0.07 0.11 0.18 -0.04 3.23 3.54 3c4mB1 TRP -4 HB3 0.02 -0.07 -0.01 -0.04 3.23 3.13 3c4mB1 TRP -4 HD1 0.08 -0.01 -0.18 -0.04 7.22 7.07 3c4mB1 TRP -4 HE1 -0.01 -0.01 -0.06 -0.04 10.20 10.08 3c4mB1 TRP -4 HE3 -0.17 -0.04 0.00 -0.04 7.59 7.34 3c4mB1 TRP -4 HZ2 0.02 0.03 -0.03 -0.04 7.44 7.42 3c4mB1 TRP -4 HZ3 0.06 0.02 -0.27 -0.04 7.13 6.90 3c4mB1 TRP -4 HH2 0.30 0.06 -0.04 -0.04 7.19 7.47 3c4mB1 TYR -3 H 0.31 0.65 -0.07 -0.55 8.29 8.63 3c4mB1 TYR -3 HA 0.08 -0.02 0.44 -0.75 4.56 4.30 3c4mB1 TYR -3 HB2 0.07 0.01 0.13 -0.04 3.06 3.23 3c4mB1 TYR -3 HB3 0.06 0.09 0.15 -0.04 2.98 3.23 3c4mB1 TYR -3 HD2 0.02 0.01 -0.09 -0.04 7.15 7.05 3c4mB1 TYR -3 HE2 0.01 0.01 -0.03 -0.04 6.85 6.79 3c4mB1 ALA -2 H 0.11 0.57 -0.20 -0.55 8.40 8.33 3c4mB1 ALA -2 HA -0.03 0.01 0.43 -0.75 4.34 4.00 3c4mB1 ALA -2 HB3 -0.01 0.02 0.15 -0.04 1.41 1.54 3c4mB1 VAL -1 H -0.22 0.56 -0.09 -0.55 8.24 7.94 3c4mB1 VAL -1 HA -0.05 0.01 0.41 -0.75 4.13 3.75 3c4mB1 VAL -1 HB -0.27 0.05 0.13 -0.04 2.12 1.99 3c4mB1 VAL -1 HG13 0.20 -0.02 -0.09 -0.04 0.97 1.01 3c4mB1 VAL -1 HG23 -0.59 0.04 0.02 -0.04 0.95 0.38 3c4mB1 ARG 0 H 0.01 0.79 0.02 -0.55 8.46 8.72 3c4mB1 ARG 0 HA 0.05 -0.05 0.49 -0.75 4.34 4.08 3c4mB1 ARG 0 HB2 0.05 0.00 0.17 -0.04 1.90 2.08 3c4mB1 ARG 0 HB3 -0.15 0.13 0.20 -0.04 1.80 1.93 3c4mB1 ARG 0 HG2 -0.05 -0.00 -0.09 -0.04 1.67 1.49 3c4mB1 ARG 0 HG3 0.03 0.07 0.15 -0.04 1.67 1.87 3c4mB1 ARG 0 HD2 -0.01 0.01 0.03 -0.04 3.22 3.21 3c4mB1 ARG 0 HD3 0.01 -0.01 0.04 -0.04 3.22 3.22 3c4mB1 THR 1 H -0.24 0.60 -0.15 -0.55 8.28 7.94 3c4mB1 THR 1 HA -0.14 -0.02 0.37 -0.75 4.39 3.86 3c4mB1 THR 1 HB -0.17 0.13 0.16 -0.04 4.32 4.39 3c4mB1 THR 1 HG23 -0.08 -0.02 -0.05 -0.04 1.22 1.03 3c4mB1 ALA 2 H -0.06 0.52 -0.11 -0.55 8.40 8.20 3c4mB1 ALA 2 HA -0.02 -0.02 0.31 -0.75 4.34 3.85 3c4mB1 ALA 2 HB3 -0.00 0.01 -0.01 -0.04 1.41 1.36 3c4mB1 VAL 3 H 0.02 0.66 -0.07 -0.55 8.24 8.31 3c4mB1 VAL 3 HA 0.02 -0.03 0.35 -0.75 4.13 3.72 3c4mB1 VAL 3 HB 0.07 0.09 0.10 -0.04 2.12 2.35 3c4mB1 VAL 3 HG13 0.07 -0.01 -0.09 -0.04 0.97 0.90 3c4mB1 VAL 3 HG23 0.12 0.01 0.01 -0.04 0.95 1.04 3c4mB1 ILE 4 H -0.00 0.56 -0.06 -0.55 8.25 8.20 3c4mB1 ILE 4 HA -0.01 0.07 0.52 -0.75 4.18 4.00 3c4mB1 ILE 4 HB -0.03 0.10 0.17 -0.04 1.89 2.09 3c4mB1 ILE 4 HG12 -0.00 -0.02 0.07 -0.04 1.49 1.50 3c4mB1 ILE 4 HG13 0.01 0.01 0.10 -0.04 1.21 1.29 3c4mB1 ILE 4 HG23 -0.02 -0.02 -0.10 -0.04 0.93 0.76 3c4mB1 ILE 4 HD13 -0.01 0.01 0.05 -0.04 0.88 0.89 3c4mB1 ASN 5 H -0.02 0.65 -0.06 -0.55 8.53 8.55 3c4mB1 ASN 5 HA -0.02 -0.02 0.44 -0.75 4.76 4.41 3c4mB1 ASN 5 HB2 -0.02 0.13 0.11 -0.04 2.88 3.07 3c4mB1 ASN 5 HB3 -0.01 -0.13 -0.04 -0.04 2.79 2.57 3c4mB1 ASN 5 HD21 -0.02 -0.03 -0.04 -0.04 7.03 6.89 3c4mB1 ASN 5 HD22 -0.02 -0.03 -0.08 -0.04 7.74 7.56 3c4mB1 ALA 6 H -0.01 0.57 -0.17 -0.55 8.40 8.25 3c4mB1 ALA 6 HA -0.01 0.30 0.47 -0.75 4.34 4.34 3c4mB1 ALA 6 HB3 -0.01 -0.03 0.01 -0.04 1.41 1.34 3c4mB1 ALA 7 H -0.01 0.71 0.04 -0.55 8.40 8.59 3c4mB1 ALA 7 HA -0.03 -0.01 0.48 -0.75 4.34 4.03 3c4mB1 ALA 7 HB3 -0.02 -0.02 0.14 -0.04 1.41 1.47 3c4mB1 SER 8 H -0.02 0.61 -0.13 -0.55 8.46 8.38 3c4mB1 SER 8 HA -0.02 0.02 0.45 -0.75 4.49 4.19 3c4mB1 SER 8 HB2 -0.01 -0.06 0.09 -0.04 3.95 3.92 3c4mB1 SER 8 HB3 -0.02 0.05 0.10 -0.04 3.93 4.03 3c4mB1 GLY 9 H -0.02 0.32 -0.44 -0.55 8.43 7.75 3c4mB1 GLY 9 HA2 -0.01 0.06 0.28 -0.51 4.01 3.83 3c4mB1 GLY 9 HA3 -0.01 0.07 0.58 -0.51 4.01 4.14 3c4mB1 ARG 10 H -0.01 0.13 -0.13 -0.55 8.46 7.89 3c4mB1 ARG 10 HA -0.01 0.07 0.57 -0.75 4.34 4.22 3c4mB1 ARG 10 HB2 -0.01 0.00 0.17 -0.04 1.90 2.02 3c4mB1 ARG 10 HB3 -0.01 -0.05 -0.06 -0.04 1.80 1.64 3c4mB1 ARG 10 HG2 -0.01 -0.01 0.04 -0.04 1.67 1.66 3c4mB1 ARG 10 HG3 -0.01 0.04 -0.02 -0.04 1.67 1.64 3c4mB1 ARG 10 HD2 -0.01 -0.03 -0.02 -0.04 3.22 3.13 3c4mB1 ARG 10 HD3 -0.01 -0.01 -0.01 -0.04 3.22 3.14 3c4mB1 GLN 11 H -0.01 0.50 -0.10 -0.55 8.47 8.31 3c4mB1 GLN 11 HA -0.01 0.14 0.69 -0.75 4.36 4.43 3c4mB1 GLN 11 HB2 -0.01 -0.05 -0.18 -0.04 2.15 1.87 3c4mB1 GLN 11 HB3 -0.01 -0.04 -0.08 -0.04 2.02 1.85 3c4mB1 GLN 11 HG2 -0.00 0.01 -0.04 -0.04 2.40 2.32 3c4mB1 GLN 11 HG3 -0.01 0.03 -0.37 -0.04 2.39 2.00 3c4mB1 GLN 11 HE21 -0.00 0.02 -0.12 -0.04 6.97 6.82 3c4mB1 GLN 11 HE22 -0.00 -0.00 -0.11 -0.04 7.69 7.54 3c4mB1 THR 12 H -0.00 0.08 0.09 -0.55 8.28 7.89 3c4mB1 THR 12 HA -0.01 0.25 0.63 -0.75 4.39 4.52 3c4mB1 THR 12 HB -0.00 -0.03 0.15 -0.04 4.32 4.40 3c4mB1 THR 12 HG23 -0.00 0.06 0.04 -0.04 1.22 1.28 3c4mB1 VAL 13 H -0.01 0.22 0.14 -0.55 8.24 8.05 3c4mB1 VAL 13 HA -0.01 0.12 0.35 -0.75 4.13 3.84 3c4mB1 VAL 13 HB -0.00 -0.02 0.13 -0.04 2.12 2.19 3c4mB1 VAL 13 HG13 -0.01 0.02 -0.07 -0.04 0.97 0.88 3c4mB1 VAL 13 HG23 -0.01 0.03 -0.04 -0.04 0.95 0.89 3c4mB1 ASP 14 H 0.00 0.09 -0.17 -0.55 8.40 7.77 3c4mB1 ASP 14 HA 0.00 0.11 0.30 -0.75 4.63 4.28 3c4mB1 ASP 14 HB2 0.00 -0.04 0.08 -0.04 2.71 2.71 3c4mB1 ASP 14 HB3 0.00 0.08 -0.05 -0.04 2.70 2.69 3c4mB1 GLU 15 H -0.00 0.04 -0.17 -0.55 8.60 7.93 3c4mB1 GLU 15 HA -0.00 0.07 0.38 -0.75 4.29 3.99 3c4mB1 GLU 15 HB2 -0.00 -0.02 0.10 -0.04 2.09 2.13 3c4mB1 GLU 15 HB3 -0.00 0.07 -0.01 -0.04 1.99 2.00 3c4mB1 GLU 15 HG2 0.00 0.06 0.04 -0.04 2.34 2.40 3c4mB1 GLU 15 HG3 0.00 -0.07 0.06 -0.04 2.34 2.28 3c4mB1 ALA 16 H -0.00 0.55 -0.35 -0.55 8.40 8.05 3c4mB1 ALA 16 HA -0.01 0.02 0.28 -0.75 4.34 3.87 3c4mB1 ALA 16 HB3 -0.01 0.02 0.03 -0.04 1.41 1.41 3c4mB1 LEU 17 H -0.00 0.59 0.01 -0.55 8.37 8.41 3c4mB1 LEU 17 HA 0.00 0.00 0.49 -0.75 4.35 4.09 3c4mB1 LEU 17 HB2 -0.00 0.06 0.12 -0.04 1.64 1.77 3c4mB1 LEU 17 HB3 -0.00 0.05 0.01 -0.04 1.64 1.66 3c4mB1 LEU 17 HG 0.00 -0.01 0.03 -0.04 1.64 1.62 3c4mB1 LEU 17 HD13 -0.01 0.00 -0.14 -0.04 0.93 0.74 3c4mB1 LEU 17 HD23 0.03 0.04 0.01 -0.04 0.89 0.93 3c4mB1 LYS 18 H -0.00 0.65 -0.12 -0.55 8.42 8.39 3c4mB1 LYS 18 HA -0.01 -0.02 0.46 -0.75 4.32 4.01 3c4mB1 LYS 18 HB2 -0.00 0.08 0.12 -0.04 1.87 2.02 3c4mB1 LYS 18 HB3 -0.00 0.07 0.13 -0.04 1.79 1.94 3c4mB1 LYS 18 HG2 -0.00 -0.02 -0.13 -0.04 1.46 1.27 3c4mB1 LYS 18 HG3 0.00 -0.02 0.04 -0.04 1.46 1.45 3c4mB1 LYS 18 HD2 0.00 -0.02 -0.04 -0.04 1.69 1.59 3c4mB1 LYS 18 HD3 0.00 -0.01 -0.04 -0.04 1.68 1.59 3c4mB1 LYS 18 HE2 0.01 -0.00 -0.03 -0.04 2.99 2.92 3c4mB1 LYS 18 HE3 0.01 0.01 -0.01 -0.04 2.99 2.96 3c4mB1 ASP 19 H -0.01 0.61 -0.17 -0.55 8.40 8.29 3c4mB1 ASP 19 HA -0.01 0.01 0.43 -0.75 4.63 4.31 3c4mB1 ASP 19 HB2 -0.01 0.13 0.16 -0.04 2.71 2.96 3c4mB1 ASP 19 HB3 -0.00 -0.05 -0.02 -0.04 2.70 2.58 3c4mB1 ALA 20 H -0.01 0.58 -0.06 -0.55 8.40 8.36 3c4mB1 ALA 20 HA -0.02 -0.01 0.46 -0.75 4.34 4.03 3c4mB1 ALA 20 HB3 -0.02 0.01 0.03 -0.04 1.41 1.39 3c4mB1 GLN 21 H -0.01 0.68 -0.10 -0.55 8.47 8.49 3c4mB1 GLN 21 HA -0.02 -0.05 0.45 -0.75 4.36 3.99 3c4mB1 GLN 21 HB2 -0.02 -0.11 0.07 -0.04 2.15 2.04 3c4mB1 GLN 21 HB3 -0.02 0.16 0.17 -0.04 2.02 2.29 3c4mB1 GLN 21 HG2 -0.04 0.05 -0.02 -0.04 2.40 2.35 3c4mB1 GLN 21 HG3 -0.04 -0.01 -0.12 -0.04 2.39 2.18 3c4mB1 GLN 21 HE21 -0.14 0.62 0.23 -0.04 6.97 7.65 3c4mB1 GLN 21 HE22 -0.12 0.03 0.07 -0.04 7.69 7.62 3c4mB1 THR 22 H -0.02 0.64 -0.06 -0.55 8.28 8.29 3c4mB1 THR 22 HA -0.02 -0.01 0.36 -0.75 4.39 3.96 3c4mB1 THR 22 HB -0.01 0.08 0.16 -0.04 4.32 4.50 3c4mB1 THR 22 HG23 -0.01 -0.02 -0.05 -0.04 1.22 1.10 3c4mB1 ASN 23 H -0.03 0.63 -0.20 -0.55 8.53 8.38 3c4mB1 ASN 23 HA -0.04 0.02 0.43 -0.75 4.76 4.41 3c4mB1 ASN 23 HB2 -0.01 0.08 0.19 -0.04 2.88 3.10 3c4mB1 ASN 23 HB3 0.00 -0.07 0.01 -0.04 2.79 2.69 3c4mB1 ASN 23 HD21 0.02 -0.06 -0.04 -0.04 7.03 6.90 3c4mB1 ASN 23 HD22 0.03 -0.04 -0.07 -0.04 7.74 7.61 3c4mB1 ALA 24 H -0.09 0.60 0.04 -0.55 8.40 8.41 3c4mB1 ALA 24 HA -0.44 -0.02 0.51 -0.75 4.34 3.63 3c4mB1 ALA 24 HB3 -0.15 0.01 0.10 -0.04 1.41 1.33 3c4mB1 ALA 25 H -0.14 0.81 0.04 -0.55 8.40 8.56 3c4mB1 ALA 25 HA 0.01 -0.01 0.41 -0.75 4.34 4.00 3c4mB1 ALA 25 HB3 -0.00 0.01 0.09 -0.04 1.41 1.47 3c4mB1 ALA 26 H -0.09 0.60 -0.24 -0.55 8.40 8.12 3c4mB1 ALA 26 HA -0.00 -0.01 0.42 -0.75 4.34 4.00 3c4mB1 ALA 26 HB3 -0.03 0.03 0.11 -0.04 1.41 1.48 3c4mB1 GLU 27 H -0.20 0.41 -0.22 -0.55 8.60 8.05 3c4mB1 GLU 27 HA -0.01 0.05 0.57 -0.75 4.29 4.14 3c4mB1 GLU 27 HB2 -0.12 0.03 0.15 -0.04 2.09 2.11 3c4mB1 GLU 27 HB3 -0.37 0.12 0.22 -0.04 1.99 1.92 3c4mB1 GLU 27 HG2 0.15 -0.03 -0.14 -0.04 2.34 2.28 3c4mB1 GLU 27 HG3 0.03 -0.01 0.05 -0.04 2.34 2.37 3c4mB1 PHE 28 H -0.25 0.55 0.05 -0.55 8.34 8.13 3c4mB1 PHE 28 HA 0.09 -0.01 0.32 -0.75 4.62 4.26 3c4mB1 PHE 28 HB2 0.18 0.10 0.07 -0.04 3.15 3.46 3c4mB1 PHE 28 HB3 0.21 -0.09 -0.00 -0.04 3.06 3.14 3c4mB1 PHE 28 HD2 0.16 0.07 -0.08 -0.04 7.28 7.39 3c4mB1 PHE 28 HE2 0.17 -0.06 -0.03 -0.04 7.38 7.42 3c4mB1 PHE 28 HZ 0.29 -0.06 -0.04 -0.04 7.32 7.47 3c4mB1 ASP 29 H 0.16 0.67 -0.17 -0.55 8.40 8.52 3c4mB1 ASP 29 HA 0.24 0.01 0.38 -0.75 4.63 4.50 3c4mB1 ASP 29 HB2 0.12 0.13 0.05 -0.04 2.71 2.97 3c4mB1 ASP 29 HB3 0.18 -0.08 0.09 -0.04 2.70 2.85 3c4mB1 ASP 30 H 0.07 0.33 -0.56 -0.55 8.40 7.69 3c4mB1 ASP 30 HA 0.01 0.10 0.55 -0.75 4.63 4.54 3c4mB1 ASP 30 HB2 0.02 0.17 0.11 -0.04 2.71 2.96 3c4mB1 ASP 30 HB3 0.02 0.10 0.08 -0.04 2.70 2.86 3c4mB1 VAL 31 H -0.02 0.25 -0.25 -0.55 8.24 7.67 3c4mB1 VAL 31 HA -0.02 0.07 0.29 -0.75 4.13 3.71 3c4mB1 VAL 31 HB -0.07 0.04 0.12 -0.04 2.12 2.18 3c4mB1 VAL 31 HG13 -0.03 -0.03 -0.07 -0.04 0.97 0.80 3c4mB1 VAL 31 HG23 0.04 0.02 0.03 -0.04 0.95 1.00 3c4mB1 MET 32 H -0.23 0.15 -0.13 -0.55 8.47 7.72 3c4mB1 MET 32 HA -0.08 0.03 0.54 -0.75 4.52 4.25 3c4mB1 MET 32 HB2 -0.30 -0.00 0.06 -0.04 2.15 1.87 3c4mB1 MET 32 HB3 -0.28 0.03 0.08 -0.04 2.03 1.82 3c4mB1 MET 32 HG2 -0.03 0.15 -0.18 -0.04 2.63 2.53 3c4mB1 MET 32 HG3 -0.04 -0.03 -0.00 -0.04 2.56 2.44 3c4mB1 MET 32 HE3 0.03 0.02 -0.01 -0.04 2.10 2.10 3c4mB1 THR 33 H -0.03 0.11 0.25 -0.55 8.28 8.06 3c4mB1 THR 33 HA -0.01 0.22 0.54 -0.75 4.39 4.38 3c4mB1 THR 33 HB -0.01 -0.06 0.19 -0.04 4.32 4.40 3c4mB1 THR 33 HG23 -0.02 0.08 0.12 -0.04 1.22 1.36 3c4mB1 LYS 34 H 0.01 0.23 0.19 -0.55 8.42 8.29 3c4mB1 LYS 34 HA 0.02 0.12 0.57 -0.75 4.32 4.28 3c4mB1 LYS 34 HB2 0.02 0.09 0.17 -0.04 1.87 2.10 3c4mB1 LYS 34 HB3 0.01 -0.04 0.14 -0.04 1.79 1.86 3c4mB1 LYS 34 HG2 0.02 -0.03 -0.18 -0.04 1.46 1.23 3c4mB1 LYS 34 HG3 0.02 0.03 0.05 -0.04 1.46 1.52 3c4mB1 LYS 34 HD2 0.01 0.03 -0.00 -0.04 1.69 1.69 3c4mB1 LYS 34 HD3 0.01 0.03 0.03 -0.04 1.68 1.70 3c4mB1 LYS 34 HE2 0.01 -0.03 -0.02 -0.04 2.99 2.91 3c4mB1 LYS 34 HE3 0.01 -0.01 -0.06 -0.04 2.99 2.89 3c4mB1 GLU 35 H 0.01 0.11 -0.10 -0.55 8.60 8.08 3c4mB1 GLU 35 HA 0.03 0.10 0.39 -0.75 4.29 4.05 3c4mB1 GLU 35 HB2 0.00 0.02 0.12 -0.04 2.09 2.20 3c4mB1 GLU 35 HB3 -0.00 -0.01 0.07 -0.04 1.99 2.02 3c4mB1 GLU 35 HG2 0.01 0.00 -0.08 -0.04 2.34 2.24 3c4mB1 GLU 35 HG3 0.01 0.02 0.05 -0.04 2.34 2.38 3c4mB1 GLU 36 H 0.01 0.06 -0.20 -0.55 8.60 7.92 3c4mB1 GLU 36 HA 0.06 0.05 0.45 -0.75 4.29 4.10 3c4mB1 GLU 36 HB2 0.01 0.08 0.14 -0.04 2.09 2.28 3c4mB1 GLU 36 HB3 0.03 0.05 0.02 -0.04 1.99 2.04 3c4mB1 GLU 36 HG2 -0.03 0.05 0.06 -0.04 2.34 2.38 3c4mB1 GLU 36 HG3 -0.02 -0.09 0.07 -0.04 2.34 2.27 3c4mB1 GLN 37 H 0.05 0.52 -0.15 -0.55 8.47 8.34 3c4mB1 GLN 37 HA 0.10 0.04 0.51 -0.75 4.36 4.25 3c4mB1 GLN 37 HB2 0.05 0.05 0.11 -0.04 2.15 2.32 3c4mB1 GLN 37 HB3 0.05 0.09 0.19 -0.04 2.02 2.31 3c4mB1 GLN 37 HG2 0.04 -0.01 0.03 -0.04 2.40 2.42 3c4mB1 GLN 37 HG3 0.05 0.01 -0.11 -0.04 2.39 2.30 3c4mB1 GLN 37 HE21 0.15 0.61 0.35 -0.04 6.97 8.03 3c4mB1 GLN 37 HE22 0.11 -0.12 0.25 -0.04 7.69 7.89 3c4mB1 ILE 38 H 0.07 0.62 -0.09 -0.55 8.25 8.30 3c4mB1 ILE 38 HA 0.07 0.02 0.48 -0.75 4.18 4.00 3c4mB1 ILE 38 HB 0.06 0.12 0.18 -0.04 1.89 2.21 3c4mB1 ILE 38 HG12 0.05 -0.03 0.04 -0.04 1.49 1.51 3c4mB1 ILE 38 HG13 0.04 0.15 0.09 -0.04 1.21 1.45 3c4mB1 ILE 38 HG23 0.05 -0.02 -0.05 -0.04 0.93 0.87 3c4mB1 ILE 38 HD13 0.03 -0.03 -0.05 -0.04 0.88 0.79 3c4mB1 PHE 39 H 0.19 0.46 -0.13 -0.55 8.34 8.31 3c4mB1 PHE 39 HA 0.01 0.01 0.50 -0.75 4.62 4.38 3c4mB1 PHE 39 HB2 -0.03 -0.01 0.12 -0.04 3.15 3.19 3c4mB1 PHE 39 HB3 -0.00 0.13 0.18 -0.04 3.06 3.32 3c4mB1 PHE 39 HD2 -0.04 0.03 -0.11 -0.04 7.28 7.11 3c4mB1 PHE 39 HE2 -0.02 0.01 -0.03 -0.04 7.38 7.30 3c4mB1 PHE 39 HZ -0.01 0.01 -0.02 -0.04 7.32 7.27 3c4mB1 LEU 40 H 0.19 0.62 0.02 -0.55 8.37 8.65 3c4mB1 LEU 40 HA 0.01 -0.01 0.50 -0.75 4.35 4.09 3c4mB1 LEU 40 HB2 0.13 0.12 0.23 -0.04 1.64 2.08 3c4mB1 LEU 40 HB3 0.13 -0.01 0.09 -0.04 1.64 1.81 3c4mB1 LEU 40 HG 0.19 0.13 0.08 -0.04 1.64 2.00 3c4mB1 LEU 40 HD13 0.12 -0.02 0.01 -0.04 0.93 1.01 3c4mB1 LEU 40 HD23 0.18 -0.02 0.03 -0.04 0.89 1.03 3c4mB1 LEU 41 H 0.05 0.55 -0.18 -0.55 8.37 8.24 3c4mB1 LEU 41 HA -0.04 0.02 0.52 -0.75 4.35 4.10 3c4mB1 LEU 41 HB2 0.14 0.02 0.12 -0.04 1.64 1.89 3c4mB1 LEU 41 HB3 0.10 0.12 0.18 -0.04 1.64 2.00 3c4mB1 LEU 41 HG 0.32 -0.06 -0.15 -0.04 1.64 1.70 3c4mB1 LEU 41 HD13 0.35 -0.03 0.08 -0.04 0.93 1.29 3c4mB1 LEU 41 HD23 0.15 0.05 0.06 -0.04 0.89 1.10 3c4mB1 HIS 42 H -0.00 0.61 -0.02 -0.55 8.41 8.45 3c4mB1 HIS 42 HA -0.18 -0.02 0.50 -0.75 4.63 4.18 3c4mB1 HIS 42 HB2 -0.12 0.09 0.17 -0.04 3.26 3.36 3c4mB1 HIS 42 HB3 -0.41 0.12 0.19 -0.04 3.20 3.06 3c4mB1 HIS 42 HD2 -0.06 0.00 0.03 -0.04 6.97 6.90 3c4mB1 HIS 42 HE1 -0.09 -0.00 -0.02 -0.04 7.75 7.59 3c4mB1 ARG 43 H -0.41 0.57 -0.23 -0.55 8.46 7.83 3c4mB1 ARG 43 HA -0.33 0.01 0.43 -0.75 4.34 3.69 3c4mB1 ARG 43 HB2 -0.61 0.06 0.13 -0.04 1.90 1.44 3c4mB1 ARG 43 HB3 -0.27 0.13 0.14 -0.04 1.80 1.77 3c4mB1 ARG 43 HG2 -0.15 -0.03 -0.07 -0.04 1.67 1.37 3c4mB1 ARG 43 HG3 -0.15 -0.04 0.05 -0.04 1.67 1.50 3c4mB1 ARG 43 HD2 0.02 -0.02 -0.01 -0.04 3.22 3.17 3c4mB1 ARG 43 HD3 0.11 -0.00 0.00 -0.04 3.22 3.28 3c4mB1 ALA 44 H -0.40 0.49 -0.14 -0.55 8.40 7.81 3c4mB1 ALA 44 HA -0.36 -0.00 0.47 -0.75 4.34 3.70 3c4mB1 ALA 44 HB3 -0.82 0.05 0.13 -0.04 1.41 0.73 3c4mB1 GLN 45 H -0.58 0.53 -0.25 -0.55 8.47 7.61 3c4mB1 GLN 45 HA -2.25 -0.04 0.36 -0.75 4.36 1.67 3c4mB1 GLN 45 HB2 -0.95 0.05 0.04 -0.04 2.15 1.24 3c4mB1 GLN 45 HB3 -0.74 0.16 0.15 -0.04 2.02 1.55 3c4mB1 GLN 45 HG2 -0.78 -0.01 -0.18 -0.04 2.40 1.39 3c4mB1 GLN 45 HG3 -1.94 -0.09 -0.01 -0.04 2.39 0.31 3c4mB1 GLN 45 HE21 0.01 0.01 -0.03 -0.04 6.97 6.91 3c4mB1 GLN 45 HE22 -0.24 -0.02 -0.04 -0.04 7.69 7.35 3c4mB1 ALA 46 H -0.55 0.61 -0.09 -0.55 8.40 7.82 3c4mB1 ALA 46 HA -0.34 -0.01 0.48 -0.75 4.34 3.72 3c4mB1 ALA 46 HB3 -0.26 0.04 0.11 -0.04 1.41 1.26 3c4mB1 GLN 47 H -0.30 0.50 -0.22 -0.55 8.47 7.91 3c4mB1 GLN 47 HA -0.12 0.01 0.50 -0.75 4.36 3.99 3c4mB1 GLN 47 HB2 -0.15 0.10 0.15 -0.04 2.15 2.21 3c4mB1 GLN 47 HB3 -0.08 -0.04 0.04 -0.04 2.02 1.89 3c4mB1 GLN 47 HG2 -0.09 -0.05 0.02 -0.04 2.40 2.24 3c4mB1 GLN 47 HG3 -0.16 0.22 0.09 -0.04 2.39 2.49 3c4mB1 GLN 47 HE21 -0.05 -0.02 -0.05 -0.04 6.97 6.81 3c4mB1 GLN 47 HE22 -0.07 -0.01 -0.03 -0.04 7.69 7.53 3c4mB1 CYS 48 H -0.29 0.60 -0.10 -0.55 8.50 8.16 3c4mB1 CYS 48 HA -0.02 0.02 0.45 -0.75 4.58 4.28 3c4mB1 CYS 48 HB2 -0.02 0.04 0.08 -0.04 2.97 3.03 3c4mB1 CYS 48 HB3 -0.39 0.12 0.10 -0.04 2.97 2.76 3c4mB1 GLU 49 H -0.29 0.62 -0.13 -0.55 8.60 8.25 3c4mB1 GLU 49 HA -0.10 -0.02 0.41 -0.75 4.29 3.83 3c4mB1 GLU 49 HB2 -0.17 0.20 0.17 -0.04 2.09 2.24 3c4mB1 GLU 49 HB3 -0.11 -0.06 0.00 -0.04 1.99 1.78 3c4mB1 GLU 49 HG2 -0.19 -0.06 0.03 -0.04 2.34 2.08 3c4mB1 GLU 49 HG3 -0.36 0.28 0.07 -0.04 2.34 2.29 3c4mB1 LYS 50 H -0.11 0.52 -0.18 -0.55 8.42 8.09 3c4mB1 LYS 50 HA -0.04 -0.01 0.40 -0.75 4.32 3.91 3c4mB1 LYS 50 HB2 -0.07 0.06 0.15 -0.04 1.87 1.97 3c4mB1 LYS 50 HB3 -0.06 0.10 0.15 -0.04 1.79 1.95 3c4mB1 LYS 50 HG2 -0.03 -0.04 0.03 -0.04 1.46 1.39 3c4mB1 LYS 50 HG3 -0.04 -0.03 0.03 -0.04 1.46 1.38 3c4mB1 LYS 50 HD2 -0.04 -0.01 -0.00 -0.04 1.69 1.61 3c4mB1 LYS 50 HD3 -0.02 0.02 -0.10 -0.04 1.68 1.53 3c4mB1 LYS 50 HE2 -0.02 -0.01 -0.02 -0.04 2.99 2.90 3c4mB1 LYS 50 HE3 -0.02 -0.02 -0.01 -0.04 2.99 2.90 3c4mB1 ARG 51 H -0.04 0.62 -0.09 -0.55 8.46 8.39 3c4mB1 ARG 51 HA 0.00 -0.01 0.42 -0.75 4.34 4.00 3c4mB1 ARG 51 HB2 0.01 -0.02 0.09 -0.04 1.90 1.94 3c4mB1 ARG 51 HB3 0.01 0.10 0.18 -0.04 1.80 2.05 3c4mB1 ARG 51 HG2 0.05 -0.00 -0.31 -0.04 1.67 1.37 3c4mB1 ARG 51 HG3 0.04 -0.04 0.02 -0.04 1.67 1.64 3c4mB1 ARG 51 HD2 0.07 -0.01 -0.06 -0.04 3.22 3.18 3c4mB1 ARG 51 HD3 0.08 0.00 -0.08 -0.04 3.22 3.18 3c4mB1 LEU 52 H 0.00 0.66 -0.15 -0.55 8.37 8.34 3c4mB1 LEU 52 HA 0.05 0.02 0.34 -0.75 4.35 4.01 3c4mB1 LEU 52 HB2 0.01 0.08 0.16 -0.04 1.64 1.85 3c4mB1 LEU 52 HB3 0.05 -0.03 0.00 -0.04 1.64 1.62 3c4mB1 LEU 52 HG 0.05 0.24 -0.08 -0.04 1.64 1.80 3c4mB1 LEU 52 HD13 0.09 -0.05 -0.05 -0.04 0.93 0.88 3c4mB1 LEU 52 HD23 0.12 -0.01 -0.25 -0.04 0.89 0.71 3c4mB1 LYS 53 H -0.00 0.56 -0.07 -0.55 8.42 8.35 3c4mB1 LYS 53 HA 0.01 -0.01 0.38 -0.75 4.32 3.95 3c4mB1 LYS 53 HB2 -0.01 0.11 0.11 -0.04 1.87 2.04 3c4mB1 LYS 53 HB3 -0.00 -0.07 0.07 -0.04 1.79 1.74 3c4mB1 LYS 53 HG2 -0.01 -0.06 0.06 -0.04 1.46 1.41 3c4mB1 LYS 53 HG3 -0.02 0.10 0.03 -0.04 1.46 1.53 3c4mB1 LYS 53 HD2 -0.01 -0.02 0.00 -0.04 1.69 1.62 3c4mB1 LYS 53 HD3 -0.00 -0.03 0.03 -0.04 1.68 1.63 3c4mB1 LYS 53 HE2 -0.01 0.00 -0.00 -0.04 2.99 2.94 3c4mB1 LYS 53 HE3 -0.02 -0.02 -0.02 -0.04 2.99 2.89 3c4mB1 GLU 54 H 0.01 0.37 -0.34 -0.55 8.60 8.09 3c4mB1 GLU 54 HA 0.01 0.04 0.51 -0.75 4.29 4.09 3c4mB1 GLU 54 HB2 0.01 0.07 0.15 -0.04 2.09 2.27 3c4mB1 GLU 54 HB3 0.01 -0.05 0.02 -0.04 1.99 1.93 3c4mB1 GLU 54 HG2 -0.00 -0.05 -0.02 -0.04 2.34 2.23 3c4mB1 GLU 54 HG3 -0.01 0.10 0.03 -0.04 2.34 2.42 3c4mB1 VAL 55 H 0.03 0.69 0.12 -0.55 8.24 8.53 3c4mB1 VAL 55 HA 0.03 0.04 0.50 -0.75 4.13 3.95 3c4mB1 VAL 55 HB 0.05 0.05 0.11 -0.04 2.12 2.29 3c4mB1 VAL 55 HG13 0.05 -0.02 -0.03 -0.04 0.97 0.93 3c4mB1 VAL 55 HG23 0.04 -0.01 0.06 -0.04 0.95 1.00 3c4mB1 LEU 56 H 0.03 0.39 -0.12 -0.55 8.37 8.12 3c4mB1 LEU 56 HA 0.03 0.12 0.55 -0.75 4.35 4.29 3c4mB1 LEU 56 HB2 0.04 0.10 0.08 -0.04 1.64 1.82 3c4mB1 LEU 56 HB3 0.04 -0.07 0.02 -0.04 1.64 1.59 3c4mB1 LEU 56 HG 0.06 -0.03 0.06 -0.04 1.64 1.69 3c4mB1 LEU 56 HD13 0.08 0.00 0.01 -0.04 0.93 0.98 3c4mB1 LEU 56 HD23 0.07 -0.00 -0.04 -0.04 0.89 0.88 3c4mB1 GLN 57 H 0.02 0.25 -0.17 -0.55 8.47 8.02 3c4mB1 GLN 57 HA 0.01 0.15 0.65 -0.75 4.36 4.41 3c4mB1 GLN 57 HB2 0.01 0.25 0.18 -0.04 2.15 2.55 3c4mB1 GLN 57 HB3 0.01 -0.08 0.09 -0.04 2.02 2.00 3c4mB1 GLN 57 HG2 0.02 -0.01 -0.10 -0.04 2.40 2.26 3c4mB1 GLN 57 HG3 0.02 0.03 0.04 -0.04 2.39 2.43 3c4mB1 GLN 57 HE21 0.01 -0.05 0.00 -0.04 6.97 6.89 3c4mB1 GLN 57 HE22 0.01 0.00 -0.01 -0.04 7.69 7.65 3c4mB1 GLY 105 HA2 -0.04 0.02 0.19 -0.51 4.01 3.68 3c4mB1 GLY 105 HA3 -0.03 -0.07 0.20 -0.51 4.01 3.60 3c4mB1 ARG 106 H -0.04 0.10 0.05 -0.55 8.46 8.02 3c4mB1 ARG 106 HA -0.03 0.14 0.77 -0.75 4.34 4.46 3c4mB1 ARG 106 HB2 -0.05 0.03 0.08 -0.04 1.90 1.91 3c4mB1 ARG 106 HB3 -0.04 0.06 0.16 -0.04 1.80 1.94 3c4mB1 ARG 106 HG2 -0.03 -0.03 0.04 -0.04 1.67 1.62 3c4mB1 ARG 106 HG3 -0.03 -0.03 0.05 -0.04 1.67 1.63 3c4mB1 ARG 106 HD2 -0.02 -0.03 0.02 -0.04 3.22 3.15 3c4mB1 ARG 106 HD3 -0.02 0.07 0.15 -0.04 3.22 3.38 3c4mB1 PRO 107 HA -0.12 0.08 0.71 -0.51 4.44 4.60 3c4mB1 PRO 107 HB2 -0.05 0.06 -0.06 -0.04 2.28 2.19 3c4mB1 PRO 107 HB3 -0.04 -0.04 0.03 -0.04 2.02 1.92 3c4mB1 PRO 107 HG2 -0.02 0.02 -0.03 -0.04 2.03 1.95 3c4mB1 PRO 107 HG3 -0.01 -0.01 -0.01 -0.04 2.03 1.96 3c4mB1 PRO 107 HD2 -0.03 0.05 0.16 -0.04 3.68 3.82 3c4mB1 PRO 107 HD3 -0.03 0.17 0.15 -0.04 3.65 3.90 3c4mB1 CYS 108 H -0.35 0.26 0.13 -0.55 8.50 8.00 3c4mB1 CYS 108 HA -0.43 0.26 0.55 -0.75 4.58 4.21 3c4mB1 CYS 108 HB2 -1.44 -0.07 0.01 -0.04 2.97 1.43 3c4mB1 CYS 108 HB3 -2.47 0.04 -0.10 -0.04 2.97 0.40 3c4mB1 LEU 109 H -0.06 0.09 0.13 -0.55 8.37 7.98 3c4mB1 LEU 109 HA 0.11 0.14 0.50 -0.75 4.35 4.35 3c4mB1 LEU 109 HB2 0.14 -0.07 0.08 -0.04 1.64 1.74 3c4mB1 LEU 109 HB3 0.12 0.07 0.05 -0.04 1.64 1.83 3c4mB1 LEU 109 HG -0.00 0.05 0.05 -0.04 1.64 1.70 3c4mB1 LEU 109 HD13 0.04 -0.02 0.04 -0.04 0.93 0.95 3c4mB1 LEU 109 HD23 0.02 0.01 -0.08 -0.04 0.89 0.80 3c4mB1 PRO 110 HA 0.41 0.23 0.24 -0.51 4.44 4.82 3c4mB1 PRO 110 HB2 0.18 -0.07 -0.09 -0.04 2.28 2.26 3c4mB1 PRO 110 HB3 0.20 0.02 0.10 -0.04 2.02 2.30 3c4mB1 PRO 110 HG2 0.13 0.00 0.02 -0.04 2.03 2.14 3c4mB1 PRO 110 HG3 0.12 0.00 0.01 -0.04 2.03 2.12 3c4mB1 PRO 110 HD2 0.13 0.10 0.15 -0.04 3.68 4.02 3c4mB1 PRO 110 HD3 0.17 0.08 0.05 -0.04 3.65 3.91 3c4mB1 GLU 111 H 0.29 0.29 0.27 -0.55 8.60 8.90 3c4mB1 GLU 111 HA 0.20 0.05 0.44 -0.75 4.29 4.22 3c4mB1 GLU 111 HB2 0.14 -0.04 0.11 -0.04 2.09 2.26 3c4mB1 GLU 111 HB3 0.22 0.22 -0.18 -0.04 1.99 2.21 3c4mB1 GLU 111 HG2 -0.04 0.06 -0.11 -0.04 2.34 2.21 3c4mB1 GLU 111 HG3 -0.01 -0.07 -0.33 -0.04 2.34 1.89 3c4mB1 TRP 112 H 0.30 0.18 0.15 -0.55 7.97 8.06 3c4mB1 TRP 112 HA 0.04 0.23 0.77 -0.75 4.62 4.90 3c4mB1 TRP 112 HB2 -0.02 0.03 0.03 -0.04 3.23 3.24 3c4mB1 TRP 112 HB3 -0.04 0.04 0.11 -0.04 3.23 3.30 3c4mB1 TRP 112 HD1 -0.07 0.07 -0.12 -0.04 7.22 7.06 3c4mB1 TRP 112 HE1 0.07 0.10 -0.07 -0.04 10.20 10.26 3c4mB1 TRP 112 HE3 -0.03 0.02 -0.33 -0.04 7.59 7.22 3c4mB1 TRP 112 HZ2 -0.01 0.14 -0.23 -0.04 7.44 7.30 3c4mB1 TRP 112 HZ3 -0.04 -0.02 -0.35 -0.04 7.13 6.68 3c4mB1 TRP 112 HH2 -0.11 0.10 -0.23 -0.04 7.19 6.90 3c4mB1 ASP 113 H -0.65 0.33 0.24 -0.55 8.40 7.78 3c4mB1 ASP 113 HA -0.32 0.28 0.89 -0.75 4.63 4.72 3c4mB1 ASP 113 HB2 -0.10 0.04 0.14 -0.04 2.71 2.75 3c4mB1 ASP 113 HB3 0.03 0.09 -0.07 -0.04 2.70 2.70 3c4mB1 HIS 114 H -1.78 0.10 -0.18 -0.55 8.41 6.01 3c4mB1 HIS 114 HA -0.25 0.04 0.26 -0.75 4.63 3.92 3c4mB1 HIS 114 HB2 -0.18 0.20 0.42 -0.04 3.26 3.66 3c4mB1 HIS 114 HB3 -0.06 -0.02 0.12 -0.04 3.20 3.20 3c4mB1 HIS 114 HD2 -0.06 0.06 -0.04 -0.04 6.97 6.88 3c4mB1 HIS 114 HE1 0.10 -0.00 -0.05 -0.04 7.75 7.76 3c4mB1 ILE 115 H -0.63 -0.03 -0.29 -0.55 8.25 6.75 3c4mB1 ILE 115 HA -0.18 0.25 0.84 -0.75 4.18 4.34 3c4mB1 ILE 115 HB -0.12 -0.01 -0.03 -0.04 1.89 1.68 3c4mB1 ILE 115 HG12 -0.02 0.05 0.03 -0.04 1.49 1.51 3c4mB1 ILE 115 HG13 -0.10 0.00 -0.34 -0.04 1.21 0.73 3c4mB1 ILE 115 HG23 0.18 -0.00 -0.20 -0.04 0.93 0.87 3c4mB1 ILE 115 HD13 -0.07 -0.01 -0.06 -0.04 0.88 0.70 3c4mB1 LEU 116 H -0.52 0.00 0.12 -0.55 8.37 7.42 3c4mB1 LEU 116 HA -0.06 0.22 0.87 -0.75 4.35 4.62 3c4mB1 LEU 116 HB2 -0.32 -0.09 -0.02 -0.04 1.64 1.17 3c4mB1 LEU 116 HB3 -1.00 0.11 -0.30 -0.04 1.64 0.41 3c4mB1 LEU 116 HG -0.15 -0.04 -0.14 -0.04 1.64 1.26 3c4mB1 LEU 116 HD13 -0.91 0.02 -0.13 -0.04 0.93 -0.13 3c4mB1 LEU 116 HD23 -0.28 0.06 0.00 -0.04 0.89 0.64 3c4mB1 CYS 117 H 0.13 0.20 0.08 -0.55 8.50 8.36 3c4mB1 CYS 117 HA 0.27 0.14 0.70 -0.75 4.58 4.94 3c4mB1 CYS 117 HB2 0.32 -0.04 0.06 -0.04 2.97 3.27 3c4mB1 CYS 117 HB3 0.11 0.02 0.08 -0.04 2.97 3.14 3c4mB1 TRP 118 H 0.24 0.70 0.23 -0.55 7.97 8.59 3c4mB1 TRP 118 HA -0.05 0.09 0.49 -0.75 4.62 4.39 3c4mB1 TRP 118 HB2 -0.31 -0.03 0.12 -0.04 3.23 2.97 3c4mB1 TRP 118 HB3 -0.41 0.11 -0.04 -0.04 3.23 2.85 3c4mB1 TRP 118 HD1 -0.27 0.15 -0.02 -0.04 7.22 7.04 3c4mB1 TRP 118 HE1 -0.19 -0.10 -0.08 -0.04 10.20 9.79 3c4mB1 TRP 118 HE3 -0.17 0.10 -0.14 -0.04 7.59 7.34 3c4mB1 TRP 118 HZ2 -0.36 -0.07 -0.17 -0.04 7.44 6.80 3c4mB1 TRP 118 HZ3 -0.12 0.15 -0.21 -0.04 7.13 6.92 3c4mB1 TRP 118 HH2 -0.39 -0.14 -0.65 -0.04 7.19 5.97 3c4mB1 PRO 119 HA 0.20 0.07 0.59 -0.51 4.44 4.79 3c4mB1 PRO 119 HB2 0.16 0.07 0.10 -0.04 2.28 2.56 3c4mB1 PRO 119 HB3 0.11 -0.02 0.09 -0.04 2.02 2.16 3c4mB1 PRO 119 HG2 0.30 0.16 -0.13 -0.04 2.03 2.32 3c4mB1 PRO 119 HG3 0.14 0.02 0.02 -0.04 2.03 2.17 3c4mB1 PRO 119 HD2 0.42 0.01 0.07 -0.04 3.68 4.13 3c4mB1 PRO 119 HD3 0.02 0.15 0.15 -0.04 3.65 3.92 3c4mB1 LEU 120 H 0.17 0.04 0.09 -0.55 8.37 8.12 3c4mB1 LEU 120 HA 0.17 0.32 0.47 -0.75 4.35 4.56 3c4mB1 LEU 120 HB2 0.10 -0.10 0.06 -0.04 1.64 1.66 3c4mB1 LEU 120 HB3 0.06 0.04 -0.09 -0.04 1.64 1.61 3c4mB1 LEU 120 HG 0.09 -0.07 0.07 -0.04 1.64 1.70 3c4mB1 LEU 120 HD13 0.05 -0.00 -0.01 -0.04 0.93 0.92 3c4mB1 LEU 120 HD23 0.05 0.04 -0.02 -0.04 0.89 0.92 3c4mB1 GLY 121 H -0.07 0.53 0.18 -0.55 8.43 8.52 3c4mB1 GLY 121 HA2 0.13 0.13 0.76 -0.51 4.01 4.51 3c4mB1 GLY 121 HA3 -0.18 -0.04 0.22 -0.51 4.01 3.50 3c4mB1 ALA 122 H 0.03 0.11 0.02 -0.55 8.40 8.02 3c4mB1 ALA 122 HA -0.04 0.18 0.61 -0.75 4.34 4.34 3c4mB1 ALA 122 HB3 0.00 0.01 0.02 -0.04 1.41 1.40 3c4mB1 PRO 123 HA -0.12 0.06 0.32 -0.51 4.44 4.19 3c4mB1 PRO 123 HB2 -0.05 -0.01 -0.00 -0.04 2.28 2.17 3c4mB1 PRO 123 HB3 -0.08 0.14 -0.02 -0.04 2.02 2.02 3c4mB1 PRO 123 HG2 -0.04 -0.03 0.01 -0.04 2.03 1.93 3c4mB1 PRO 123 HG3 -0.05 0.10 -0.28 -0.04 2.03 1.76 3c4mB1 PRO 123 HD2 -0.04 0.02 0.13 -0.04 3.68 3.75 3c4mB1 PRO 123 HD3 -0.08 0.19 -0.07 -0.04 3.65 3.65 3c4mB1 GLY 124 H -0.08 0.41 -0.15 -0.55 8.43 8.06 3c4mB1 GLY 124 HA2 -0.04 -0.12 0.30 -0.51 4.01 3.64 3c4mB1 GLY 124 HA3 -0.04 0.06 0.49 -0.51 4.01 4.01 3c4mB1 GLU 125 H -0.02 0.54 -0.17 -0.55 8.60 8.40 3c4mB1 GLU 125 HA 0.01 0.11 0.68 -0.75 4.29 4.34 3c4mB1 GLU 125 HB2 0.05 0.03 0.02 -0.04 2.09 2.14 3c4mB1 GLU 125 HB3 0.02 0.02 -0.08 -0.04 1.99 1.91 3c4mB1 GLU 125 HG2 0.02 0.20 0.08 -0.04 2.34 2.60 3c4mB1 GLU 125 HG3 0.10 -0.11 -0.34 -0.04 2.34 1.95 3c4mB1 VAL 126 H 0.05 0.15 0.19 -0.55 8.24 8.07 3c4mB1 VAL 126 HA 0.16 0.15 0.95 -0.75 4.13 4.63 3c4mB1 VAL 126 HB 0.06 -0.03 0.17 -0.04 2.12 2.29 3c4mB1 VAL 126 HG13 0.17 0.01 -0.12 -0.04 0.97 0.98 3c4mB1 VAL 126 HG23 -0.01 -0.00 0.03 -0.04 0.95 0.93 3c4mB1 VAL 127 H 0.31 0.58 0.21 -0.55 8.24 8.78 3c4mB1 VAL 127 HA 0.24 0.11 0.65 -0.75 4.13 4.37 3c4mB1 VAL 127 HB 0.50 -0.12 0.03 -0.04 2.12 2.48 3c4mB1 VAL 127 HG13 0.51 0.03 -0.23 -0.04 0.97 1.23 3c4mB1 VAL 127 HG23 0.38 0.02 -0.12 -0.04 0.95 1.19 3c4mB1 ALA 128 H 0.19 0.21 0.18 -0.55 8.40 8.43 3c4mB1 ALA 128 HA 0.07 0.29 0.93 -0.75 4.34 4.88 3c4mB1 ALA 128 HB3 0.02 -0.01 0.00 -0.04 1.41 1.38 3c4mB1 VAL 129 H -0.12 0.71 0.30 -0.55 8.24 8.58 3c4mB1 VAL 129 HA -0.04 0.21 0.88 -0.75 4.13 4.43 3c4mB1 VAL 129 HB -0.75 -0.10 0.03 -0.04 2.12 1.25 3c4mB1 VAL 129 HG13 -0.41 0.06 -0.11 -0.04 0.97 0.47 3c4mB1 VAL 129 HG23 -0.20 -0.00 -0.19 -0.04 0.95 0.52 3c4mB1 PRO 130 HA -0.56 0.20 0.54 -0.51 4.44 4.11 3c4mB1 PRO 130 HB2 -0.17 -0.05 0.01 -0.04 2.28 2.04 3c4mB1 PRO 130 HB3 -0.25 0.12 0.09 -0.04 2.02 1.94 3c4mB1 PRO 130 HG2 -0.07 -0.00 0.08 -0.04 2.03 2.00 3c4mB1 PRO 130 HG3 -0.08 0.05 0.06 -0.04 2.03 2.02 3c4mB1 PRO 130 HD2 -0.10 0.07 0.19 -0.04 3.68 3.81 3c4mB1 PRO 130 HD3 0.03 0.19 0.18 -0.04 3.65 4.00 3c4mB1 CYS 131 H -0.33 0.58 0.11 -0.55 8.50 8.31 3c4mB1 CYS 131 HA -0.26 -0.01 0.38 -0.75 4.58 3.93 3c4mB1 CYS 131 HB2 -0.19 0.10 0.00 -0.04 2.97 2.84 3c4mB1 CYS 131 HB3 -0.27 -0.04 -0.09 -0.04 2.97 2.53 3c4mB1 PRO 132 HA -0.25 0.06 0.35 -0.51 4.44 4.09 3c4mB1 PRO 132 HB2 -1.56 -0.13 -0.02 -0.04 2.28 0.53 3c4mB1 PRO 132 HB3 -0.54 0.07 0.10 -0.04 2.02 1.61 3c4mB1 PRO 132 HG2 0.00 -0.03 0.06 -0.04 2.03 2.02 3c4mB1 PRO 132 HG3 -0.05 0.06 -0.02 -0.04 2.03 1.98 3c4mB1 PRO 132 HD2 0.17 0.01 0.15 -0.04 3.68 3.96 3c4mB1 PRO 132 HD3 -0.16 0.20 0.15 -0.04 3.65 3.80 3c4mB1 ASP 133 H -0.25 0.16 0.15 -0.55 8.40 7.92 3c4mB1 ASP 133 HA -0.98 0.14 0.26 -0.75 4.63 3.30 3c4mB1 ASP 133 HB2 -0.33 0.03 0.05 -0.04 2.71 2.42 3c4mB1 ASP 133 HB3 -0.27 0.03 0.10 -0.04 2.70 2.52 3c4mB1 TYR 134 H -0.55 0.01 -0.40 -0.55 8.29 6.81 3c4mB1 TYR 134 HA 0.01 0.14 0.44 -0.75 4.56 4.40 3c4mB1 TYR 134 HB2 0.03 -0.01 0.00 -0.04 3.06 3.04 3c4mB1 TYR 134 HB3 0.00 0.00 0.01 -0.04 2.98 2.96 3c4mB1 TYR 134 HD2 0.02 -0.01 -0.20 -0.04 7.15 6.92 3c4mB1 TYR 134 HE2 0.07 0.06 0.04 -0.04 6.85 6.98 3c4mB1 ILE 135 H -0.21 0.45 -0.42 -0.55 8.25 7.52 3c4mB1 ILE 135 HA -0.02 0.07 0.81 -0.75 4.18 4.29 3c4mB1 ILE 135 HB -0.52 0.16 0.11 -0.04 1.89 1.59 3c4mB1 ILE 135 HG12 -0.27 -0.04 -0.11 -0.04 1.49 1.03 3c4mB1 ILE 135 HG13 -0.48 -0.01 -0.02 -0.04 1.21 0.65 3c4mB1 ILE 135 HG23 -1.06 -0.06 -0.12 -0.04 0.93 -0.35 3c4mB1 ILE 135 HD13 -0.01 0.02 -0.02 -0.04 0.88 0.84 3c4mB1 TYR 136 H 0.17 0.16 0.03 -0.55 8.29 8.10 3c4mB1 TYR 136 HA 0.16 0.14 0.19 -0.75 4.56 4.28 3c4mB1 TYR 136 HB2 0.07 0.02 0.07 -0.04 3.06 3.18 3c4mB1 TYR 136 HB3 0.06 -0.04 0.09 -0.04 2.98 3.05 3c4mB1 TYR 136 HD2 0.09 0.01 -0.08 -0.04 7.15 7.12 3c4mB1 TYR 136 HE2 0.10 -0.02 -0.04 -0.04 6.85 6.84 3c4mB1 ASP 137 H 0.06 0.00 -0.23 -0.55 8.40 7.69 3c4mB1 ASP 137 HA -0.00 0.16 0.36 -0.75 4.63 4.40 3c4mB1 ASP 137 HB2 0.08 -0.04 -0.03 -0.04 2.71 2.68 3c4mB1 ASP 137 HB3 0.15 0.02 0.05 -0.04 2.70 2.88 3c4mB1 PHE 138 H -0.01 0.27 -0.50 -0.55 8.34 7.55 3c4mB1 PHE 138 HA -0.21 0.18 0.54 -0.75 4.62 4.37 3c4mB1 PHE 138 HB2 -0.23 0.28 -0.05 -0.04 3.15 3.11 3c4mB1 PHE 138 HB3 -0.41 -0.01 -0.23 -0.04 3.06 2.36 3c4mB1 PHE 138 HD2 -0.09 0.06 -0.13 -0.04 7.28 7.08 3c4mB1 PHE 138 HE2 0.01 -0.02 -0.09 -0.04 7.38 7.24 3c4mB1 PHE 138 HZ -0.04 -0.03 -0.07 -0.04 7.32 7.14 3c4mB1 ASN 139 H -0.48 0.53 0.28 -0.55 8.53 8.31 3c4mB1 ASN 139 HA -0.53 0.08 0.74 -0.75 4.76 4.30 3c4mB1 ASN 139 HB2 -1.64 -0.01 0.10 -0.04 2.88 1.30 3c4mB1 ASN 139 HB3 -0.60 0.22 0.27 -0.04 2.79 2.64 3c4mB1 ASN 139 HD21 -0.13 -0.01 -0.11 -0.04 7.03 6.74 3c4mB1 ASN 139 HD22 -0.27 0.28 0.06 -0.04 7.74 7.78 3c4mB1 HIS 140 H -0.09 0.19 0.07 -0.55 8.41 8.03 3c4mB1 HIS 140 HA -0.13 0.22 0.36 -0.75 4.63 4.32 3c4mB1 HIS 140 HB2 -0.02 -0.06 -0.00 -0.04 3.26 3.14 3c4mB1 HIS 140 HB3 -0.08 0.00 0.02 -0.04 3.20 3.10 3c4mB1 HIS 140 HD2 -0.05 0.11 -0.76 -0.04 6.97 6.22 3c4mB1 HIS 140 HE1 -0.06 0.04 -0.01 -0.04 7.75 7.67 3c4mB1 LYS 141 H -0.05 0.01 -0.24 -0.55 8.42 7.59 3c4mB1 LYS 141 HA -0.05 0.14 0.67 -0.75 4.32 4.33 3c4mB1 LYS 141 HB2 -0.02 -0.01 -0.08 -0.04 1.87 1.72 3c4mB1 LYS 141 HB3 -0.01 0.04 0.06 -0.04 1.79 1.84 3c4mB1 LYS 141 HG2 0.01 0.04 -0.04 -0.04 1.46 1.42 3c4mB1 LYS 141 HG3 0.07 -0.10 -0.01 -0.04 1.46 1.38 3c4mB1 LYS 141 HD2 -0.00 0.04 -0.02 -0.04 1.69 1.67 3c4mB1 LYS 141 HD3 -0.04 -0.01 -0.04 -0.04 1.68 1.55 3c4mB1 LYS 141 HE2 0.07 0.01 -0.05 -0.04 2.99 2.98 3c4mB1 LYS 141 HE3 0.17 0.02 -0.04 -0.04 2.99 3.09 3c4mB1 GLY 142 H -0.19 0.20 -0.41 -0.55 8.43 7.48 3c4mB1 GLY 142 HA2 -0.07 0.07 0.42 -0.51 4.01 3.92 3c4mB1 GLY 142 HA3 -0.20 0.01 0.15 -0.51 4.01 3.46 3c4mB1 HIS 143 H -0.06 0.15 0.15 -0.55 8.41 8.11 3c4mB1 HIS 143 HA -0.32 0.20 0.69 -0.75 4.63 4.45 3c4mB1 HIS 143 HB2 -0.44 -0.07 -0.01 -0.04 3.26 2.70 3c4mB1 HIS 143 HB3 -0.54 0.07 -0.08 -0.04 3.20 2.60 3c4mB1 HIS 143 HD2 -0.12 -0.02 -0.47 -0.04 6.97 6.31 3c4mB1 HIS 143 HE1 -0.01 0.02 -0.08 -0.04 7.75 7.63 3c4mB1 ALA 144 H -0.44 0.75 0.22 -0.55 8.40 8.39 3c4mB1 ALA 144 HA -0.47 0.18 0.99 -0.75 4.34 4.29 3c4mB1 ALA 144 HB3 -0.83 -0.01 0.05 -0.04 1.41 0.58 3c4mB1 TYR 145 H -0.07 0.40 0.33 -0.55 8.29 8.40 3c4mB1 TYR 145 HA 0.24 0.47 1.20 -0.75 4.56 5.71 3c4mB1 TYR 145 HB2 0.06 -0.13 0.10 -0.04 3.06 3.05 3c4mB1 TYR 145 HB3 0.24 0.09 -0.02 -0.04 2.98 3.26 3c4mB1 TYR 145 HD2 0.06 0.02 -0.11 -0.04 7.15 7.08 3c4mB1 TYR 145 HE2 -0.01 -0.03 -0.06 -0.04 6.85 6.71 3c4mB1 ARG 146 H 0.21 0.60 0.33 -0.55 8.46 9.05 3c4mB1 ARG 146 HA 0.12 0.17 0.57 -0.75 4.34 4.45 3c4mB1 ARG 146 HB2 -0.77 0.01 0.03 -0.04 1.90 1.13 3c4mB1 ARG 146 HB3 -0.15 -0.01 0.07 -0.04 1.80 1.67 3c4mB1 ARG 146 HG2 -0.80 0.38 0.25 -0.04 1.67 1.46 3c4mB1 ARG 146 HG3 -2.25 -0.10 -0.12 -0.04 1.67 -0.84 3c4mB1 ARG 146 HD2 -3.25 -0.01 -0.08 -0.04 3.22 -0.17 3c4mB1 ARG 146 HD3 -1.90 -0.01 -0.03 -0.04 3.22 1.25 3c4mB1 ARG 147 H 0.41 0.28 0.20 -0.55 8.46 8.79 3c4mB1 ARG 147 HA 0.21 0.25 0.98 -0.75 4.34 5.03 3c4mB1 ARG 147 HB2 -0.02 0.03 -0.06 -0.04 1.90 1.81 3c4mB1 ARG 147 HB3 -0.04 -0.05 0.05 -0.04 1.80 1.73 3c4mB1 ARG 147 HG2 -0.14 -0.02 -0.11 -0.04 1.67 1.35 3c4mB1 ARG 147 HG3 -0.03 -0.11 -0.31 -0.04 1.67 1.18 3c4mB1 ARG 147 HD2 -0.04 0.01 -0.36 -0.04 3.22 2.79 3c4mB1 ARG 147 HD3 0.03 0.18 -0.24 -0.04 3.22 3.15 3c4mB1 CYS 148 H 0.09 0.79 0.19 -0.55 8.50 9.03 3c4mB1 CYS 148 HA -0.21 0.05 0.73 -0.75 4.58 4.39 3c4mB1 CYS 148 HB2 -0.42 -0.04 -0.06 -0.04 2.97 2.41 3c4mB1 CYS 148 HB3 -0.13 0.17 0.10 -0.04 2.97 3.07 3c4mB1 ASP 149 H -0.10 0.69 0.18 -0.55 8.40 8.62 3c4mB1 ASP 149 HA -0.06 0.15 0.52 -0.75 4.63 4.49 3c4mB1 ASP 149 HB2 -0.05 -0.05 0.17 -0.04 2.71 2.74 3c4mB1 ASP 149 HB3 -0.03 0.07 0.08 -0.04 2.70 2.78 3c4mB1 ARG 150 H -0.05 0.17 0.17 -0.55 8.46 8.19 3c4mB1 ARG 150 HA -0.06 0.11 0.28 -0.75 4.34 3.92 3c4mB1 ARG 150 HB2 -0.04 -0.03 0.09 -0.04 1.90 1.88 3c4mB1 ARG 150 HB3 -0.04 0.08 0.07 -0.04 1.80 1.86 3c4mB1 ARG 150 HG2 -0.04 -0.07 0.10 -0.04 1.67 1.62 3c4mB1 ARG 150 HG3 -0.04 0.01 0.05 -0.04 1.67 1.65 3c4mB1 ARG 150 HD2 -0.03 0.01 -0.01 -0.04 3.22 3.15 3c4mB1 ARG 150 HD3 -0.04 0.05 -0.13 -0.04 3.22 3.06 3c4mB1 ASN 151 H -0.06 -0.04 -0.33 -0.55 8.53 7.56 3c4mB1 ASN 151 HA -0.05 0.25 0.76 -0.75 4.76 4.97 3c4mB1 ASN 151 HB2 -0.04 -0.07 0.01 -0.04 2.88 2.73 3c4mB1 ASN 151 HB3 -0.04 0.06 0.11 -0.04 2.79 2.88 3c4mB1 ASN 151 HD21 -0.03 0.01 -0.03 -0.04 7.03 6.95 3c4mB1 ASN 151 HD22 -0.03 -0.02 -0.01 -0.04 7.74 7.64 3c4mB1 GLY 152 H -0.11 0.35 -0.37 -0.55 8.43 7.76 3c4mB1 GLY 152 HA2 -0.21 -0.01 0.11 -0.51 4.01 3.39 3c4mB1 GLY 152 HA3 -0.13 0.26 0.34 -0.51 4.01 3.98 3c4mB1 SER 153 H -0.13 -0.01 -0.13 -0.55 8.46 7.64 3c4mB1 SER 153 HA -0.16 0.20 0.80 -0.75 4.49 4.57 3c4mB1 SER 153 HB2 -0.04 -0.12 -0.03 -0.04 3.95 3.71 3c4mB1 SER 153 HB3 0.00 0.12 -0.07 -0.04 3.93 3.94 3c4mB1 TRP 154 H -0.07 0.16 0.09 -0.55 7.97 7.61 3c4mB1 TRP 154 HA -0.03 0.09 0.61 -0.75 4.62 4.55 3c4mB1 TRP 154 HB2 -0.04 -0.03 0.08 -0.04 3.23 3.19 3c4mB1 TRP 154 HB3 -0.09 0.07 0.07 -0.04 3.23 3.24 3c4mB1 TRP 154 HD1 -0.01 -0.03 0.02 -0.04 7.22 7.17 3c4mB1 TRP 154 HE1 0.05 0.60 -0.05 -0.04 10.20 10.75 3c4mB1 TRP 154 HE3 -0.09 0.07 -0.22 -0.04 7.59 7.31 3c4mB1 TRP 154 HZ2 0.15 0.28 -0.44 -0.04 7.44 7.39 3c4mB1 TRP 154 HZ3 0.00 -0.08 -0.26 -0.04 7.13 6.75 3c4mB1 TRP 154 HH2 0.17 0.11 -0.28 -0.04 7.19 7.15 3c4mB1 GLU 155 H 0.26 0.76 0.44 -0.55 8.60 9.51 3c4mB1 GLU 155 HA 0.06 -0.01 0.46 -0.75 4.29 4.04 3c4mB1 GLU 155 HB2 0.04 0.02 0.08 -0.04 2.09 2.19 3c4mB1 GLU 155 HB3 0.08 -0.07 0.12 -0.04 1.99 2.08 3c4mB1 GLU 155 HG2 -0.20 -0.02 -0.02 -0.04 2.34 2.05 3c4mB1 GLU 155 HG3 -0.05 0.11 0.06 -0.04 2.34 2.43 3c4mB1 LEU 156 H 0.06 0.08 0.18 -0.55 8.37 8.15 3c4mB1 LEU 156 HA 0.14 0.09 0.83 -0.75 4.35 4.65 3c4mB1 LEU 156 HB2 0.06 -0.09 0.03 -0.04 1.64 1.60 3c4mB1 LEU 156 HB3 0.09 0.21 0.06 -0.04 1.64 1.96 3c4mB1 LEU 156 HG 0.07 0.01 -0.04 -0.04 1.64 1.65 3c4mB1 LEU 156 HD13 0.05 -0.01 -0.02 -0.04 0.93 0.91 3c4mB1 LEU 156 HD23 0.09 -0.02 -0.36 -0.04 0.89 0.55 3c4mB1 VAL 157 H 0.16 0.60 0.17 -0.55 8.24 8.63 3c4mB1 VAL 157 HA 0.21 0.08 0.58 -0.75 4.13 4.24 3c4mB1 VAL 157 HB 0.20 -0.12 0.05 -0.04 2.12 2.21 3c4mB1 VAL 157 HG13 0.23 0.03 -0.10 -0.04 0.97 1.10 3c4mB1 VAL 157 HG23 0.23 0.01 -0.15 -0.04 0.95 1.00 3c4mB1 PRO 158 HA -0.00 -0.01 0.43 -0.51 4.44 4.35 3c4mB1 PRO 158 HB2 0.02 0.01 0.11 -0.04 2.28 2.38 3c4mB1 PRO 158 HB3 -0.02 0.02 0.09 -0.04 2.02 2.07 3c4mB1 PRO 158 HG2 -0.04 0.01 0.10 -0.04 2.03 2.07 3c4mB1 PRO 158 HG3 -0.06 0.06 0.12 -0.04 2.03 2.10 3c4mB1 PRO 158 HD2 0.09 0.05 0.22 -0.04 3.68 3.99 3c4mB1 PRO 158 HD3 -0.02 0.26 0.31 -0.04 3.65 4.17 3c4mB1 GLY 159 H -0.04 0.13 0.19 -0.55 8.43 8.16 3c4mB1 GLY 159 HA2 -0.13 -0.02 0.36 -0.51 4.01 3.70 3c4mB1 GLY 159 HA3 -0.27 0.10 0.56 -0.51 4.01 3.89 3c4mB1 HIS 160 H 0.03 0.66 -0.16 -0.55 8.41 8.39 3c4mB1 HIS 160 HA 0.03 0.17 0.93 -0.75 4.63 4.99 3c4mB1 HIS 160 HB2 0.05 0.05 -0.05 -0.04 3.26 3.27 3c4mB1 HIS 160 HB3 0.04 -0.14 0.07 -0.04 3.20 3.13 3c4mB1 HIS 160 HD2 0.04 0.10 -0.17 -0.04 6.97 6.90 3c4mB1 HIS 160 HE1 0.02 -0.03 -0.03 -0.04 7.75 7.66 3c4mB1 ASN 161 H 0.15 0.14 0.11 -0.55 8.53 8.38 3c4mB1 ASN 161 HA 0.07 0.22 0.75 -0.75 4.76 5.05 3c4mB1 ASN 161 HB2 0.07 -0.02 0.09 -0.04 2.88 2.97 3c4mB1 ASN 161 HB3 0.06 0.01 0.17 -0.04 2.79 2.98 3c4mB1 ASN 161 HD21 0.04 -0.01 0.01 -0.04 7.03 7.03 3c4mB1 ASN 161 HD22 0.05 0.03 0.07 -0.04 7.74 7.84 3c4mB1 ARG 162 H 0.11 0.12 -0.26 -0.55 8.46 7.88 3c4mB1 ARG 162 HA 0.05 0.21 0.93 -0.75 4.34 4.77 3c4mB1 ARG 162 HB2 0.02 0.09 0.04 -0.04 1.90 2.01 3c4mB1 ARG 162 HB3 0.03 0.01 -0.01 -0.04 1.80 1.78 3c4mB1 ARG 162 HG2 0.08 -0.12 -0.00 -0.04 1.67 1.58 3c4mB1 ARG 162 HG3 0.07 0.00 -0.17 -0.04 1.67 1.53 3c4mB1 ARG 162 HD2 -0.03 0.05 -0.03 -0.04 3.22 3.17 3c4mB1 ARG 162 HD3 -0.07 -0.02 -0.03 -0.04 3.22 3.06 3c4mB1 THR 163 H 0.02 0.14 0.12 -0.55 8.28 8.01 3c4mB1 THR 163 HA 0.09 0.14 0.55 -0.75 4.39 4.41 3c4mB1 THR 163 HB -0.10 -0.04 0.05 -0.04 4.32 4.19 3c4mB1 THR 163 HG23 -0.13 0.07 -0.11 -0.04 1.22 1.01 3c4mB1 TRP 164 H 0.26 0.64 0.33 -0.55 7.97 8.65 3c4mB1 TRP 164 HA -0.02 0.02 0.57 -0.75 4.62 4.43 3c4mB1 TRP 164 HB2 0.00 -0.01 -0.29 -0.04 3.23 2.90 3c4mB1 TRP 164 HB3 -0.02 0.04 -0.02 -0.04 3.23 3.20 3c4mB1 TRP 164 HD1 0.01 -0.02 -0.01 -0.04 7.22 7.16 3c4mB1 TRP 164 HE1 0.01 -0.02 -0.05 -0.04 10.20 10.10 3c4mB1 TRP 164 HE3 -0.04 -0.10 -0.19 -0.04 7.59 7.21 3c4mB1 TRP 164 HZ2 0.00 -0.02 -0.10 -0.04 7.44 7.28 3c4mB1 TRP 164 HZ3 0.03 -0.05 -0.51 -0.04 7.13 6.55 3c4mB1 TRP 164 HH2 -0.00 -0.01 -0.15 -0.04 7.19 6.99 3c4mB1 ALA 165 H -0.70 0.25 0.26 -0.55 8.40 7.66 3c4mB1 ALA 165 HA -0.89 0.29 0.55 -0.75 4.34 3.54 3c4mB1 ALA 165 HB3 -0.20 -0.00 -0.00 -0.04 1.41 1.17 3c4mB1 ASN 166 H -0.56 0.71 0.31 -0.55 8.53 8.45 3c4mB1 ASN 166 HA -0.29 0.15 0.99 -0.75 4.76 4.86 3c4mB1 ASN 166 HB2 -0.43 0.08 -0.03 -0.04 2.88 2.46 3c4mB1 ASN 166 HB3 0.01 0.01 0.23 -0.04 2.79 2.99 3c4mB1 ASN 166 HD21 0.11 0.01 0.01 -0.04 7.03 7.13 3c4mB1 ASN 166 HD22 0.27 0.06 -0.00 -0.04 7.74 8.02 3c4mB1 TYR 167 H 0.07 0.27 0.07 -0.55 8.29 8.15 3c4mB1 TYR 167 HA -0.17 0.21 0.99 -0.75 4.56 4.84 3c4mB1 TYR 167 HB2 -0.13 0.07 0.06 -0.04 3.06 3.02 3c4mB1 TYR 167 HB3 -0.24 -0.02 0.18 -0.04 2.98 2.86 3c4mB1 TYR 167 HD2 -0.24 -0.03 -0.13 -0.04 7.15 6.71 3c4mB1 TYR 167 HE2 0.07 0.04 -0.09 -0.04 6.85 6.83 3c4mB1 SER 168 H 0.01 0.13 -0.17 -0.55 8.46 7.88 3c4mB1 SER 168 HA -0.02 0.10 0.28 -0.75 4.49 4.10 3c4mB1 SER 168 HB2 0.01 0.08 0.02 -0.04 3.95 4.01 3c4mB1 SER 168 HB3 0.02 0.02 0.09 -0.04 3.93 4.02 3c4mB1 GLU 169 H -0.03 0.16 -0.13 -0.55 8.60 8.05 3c4mB1 GLU 169 HA -0.09 0.10 0.49 -0.75 4.29 4.04 3c4mB1 GLU 169 HB2 -0.12 0.24 0.12 -0.04 2.09 2.28 3c4mB1 GLU 169 HB3 -0.10 -0.05 0.08 -0.04 1.99 1.88 3c4mB1 GLU 169 HG2 0.05 0.01 0.04 -0.04 2.34 2.40 3c4mB1 GLU 169 HG3 0.14 -0.05 0.07 -0.04 2.34 2.47 3c4mB1 CYS 170 H -0.29 0.14 -0.31 -0.55 8.50 7.49 3c4mB1 CYS 170 HA -0.53 0.15 0.44 -0.75 4.58 3.88 3c4mB1 CYS 170 HB2 -0.71 0.11 0.07 -0.04 2.97 2.40 3c4mB1 CYS 170 HB3 -2.04 -0.02 0.03 -0.04 2.97 0.90 3c4mB1 VAL 171 H -0.21 0.34 -0.34 -0.55 8.24 7.47 3c4mB1 VAL 171 HA -0.05 0.11 0.50 -0.75 4.13 3.94 3c4mB1 VAL 171 HB 0.01 -0.00 0.13 -0.04 2.12 2.22 3c4mB1 VAL 171 HG13 0.00 0.00 -0.06 -0.04 0.97 0.88 3c4mB1 VAL 171 HG23 -0.04 0.03 -0.03 -0.04 0.95 0.87 3c4mB1 LYS 172 H -0.23 0.28 -0.39 -0.55 8.42 7.52 3c4mB1 LYS 172 HA -0.03 0.06 0.32 -0.75 4.32 3.91 3c4mB1 LYS 172 HB2 -0.17 0.10 0.17 -0.04 1.87 1.93 3c4mB1 LYS 172 HB3 -0.43 -0.04 0.06 -0.04 1.79 1.35 3c4mB1 LYS 172 HG2 0.09 0.00 -0.09 -0.04 1.46 1.43 3c4mB1 LYS 172 HG3 0.01 -0.01 0.06 -0.04 1.46 1.47 3c4mB1 LYS 172 HD2 -0.04 -0.01 0.03 -0.04 1.69 1.63 3c4mB1 LYS 172 HD3 -0.04 -0.02 -0.01 -0.04 1.68 1.56 3c4mB1 LYS 172 HE2 0.14 -0.00 -0.03 -0.04 2.99 3.05 3c4mB1 LYS 172 HE3 0.06 -0.01 -0.00 -0.04 2.99 3.00 3c4mB1 PHE 173 H -0.18 0.10 -0.36 -0.55 8.34 7.35 3c4mB1 PHE 173 HA 0.02 0.09 0.47 -0.75 4.62 4.44 3c4mB1 PHE 173 HB2 0.02 0.21 -0.02 -0.04 3.15 3.33 3c4mB1 PHE 173 HB3 0.03 -0.03 0.09 -0.04 3.06 3.11 3c4mB1 PHE 173 HD2 -0.01 0.13 -0.27 -0.04 7.28 7.08 3c4mB1 PHE 173 HE2 0.01 -0.03 -0.09 -0.04 7.38 7.23 3c4mB1 PHE 173 HZ 0.06 -0.08 -0.03 -0.04 7.32 7.23 3c4mB1 LEU 174 H 0.10 0.57 -0.25 -0.55 8.37 8.24 3c4mB1 LEU 174 HA 0.11 0.01 0.71 -0.75 4.35 4.42 3c4mB1 LEU 174 HB2 0.06 0.07 0.19 -0.04 1.64 1.92 3c4mB1 LEU 174 HB3 0.07 -0.07 0.05 -0.04 1.64 1.65 3c4mB1 LEU 174 HG 0.11 -0.00 0.06 -0.04 1.64 1.77 3c4mB1 LEU 174 HD13 0.11 -0.02 -0.02 -0.04 0.93 0.96 3c4mB1 LEU 174 HD23 0.14 -0.01 -0.15 -0.04 0.89 0.84 3c4mB1 THR 175 H 0.07 0.12 0.05 -0.55 8.28 7.98 3c4mB1 THR 175 HA 0.05 0.25 0.64 -0.75 4.39 4.58 3c4mB1 THR 175 HB 0.05 -0.05 0.01 -0.04 4.32 4.29 3c4mB1 THR 175 HG23 0.09 0.00 -0.27 -0.04 1.22 1.00