============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 82 rings ring int. center anis. iso. TYR 7 0.840 46.673 39.373 -19.357 -99.200 -91.000 PHE 14 1.000 60.673 51.786 -5.694 -99.200 -91.000 HIS 28 0.900 61.798 47.212 7.670 -99.200 -91.000 PHE 33 1.000 43.244 40.382 3.844 -99.200 -91.000 PHE 39 1.000 36.949 39.579 18.913 -99.200 -91.000 TYR 42 0.840 40.326 31.625 14.197 -99.200 -91.000 PHE 43 1.000 41.752 36.231 19.209 -99.200 -91.000 TYR 46 0.840 42.261 36.688 24.884 -99.200 -91.000 PHE 58 1.000 45.192 31.328 26.732 -99.200 -91.000 TYR 85 0.840 28.679 23.816 17.868 -99.200 -91.000 PHE 91 1.000 34.941 20.105 13.161 -99.200 -91.000 HIS 98 0.900 32.719 32.660 2.491 -99.200 -91.000 TYR 100 0.840 26.761 43.351 -0.606 -99.200 -91.000 HIS 101 0.900 22.464 41.164 -1.835 -99.200 -91.000 PHE 107 1.000 25.845 41.339 10.671 -99.200 -91.000 PHE 115 1.000 25.040 35.683 12.391 -99.200 -91.000 HIS 118 0.900 19.011 34.047 5.520 -99.200 -91.000 HIS 121 0.900 27.683 27.351 1.574 -99.200 -91.000 TYR 126 0.840 26.730 23.947 5.650 -99.200 -91.000 TYR 137 0.840 32.489 28.584 21.969 -99.200 -91.000 TYR 138 0.840 37.908 26.148 15.618 -99.200 -91.000 TRP 147 1.040 42.275 32.365 22.091 -99.200 -91.000 TRP6 147 1.020 40.974 31.590 23.914 -99.200 -91.000 TYR 149 0.840 51.534 34.893 17.523 -99.200 -91.000 PHE 153 1.000 53.953 40.101 20.688 -99.200 -91.000 PHE 160 1.000 32.791 46.195 13.640 -99.200 -91.000 PHE 164 1.000 26.796 43.470 6.204 -99.200 -91.000 TYR 196 0.840 31.285 50.947 -5.983 -99.200 -91.000 TYR 204 0.840 40.761 41.553 -18.503 -99.200 -91.000 TYR 205 0.840 44.337 43.912 -16.571 -99.200 -91.000 TYR 210 0.840 41.985 34.703 -17.682 -99.200 -91.000 TYR 229 0.840 45.765 56.617 -9.271 -99.200 -91.000 HIS 233 0.900 47.298 52.354 -8.641 -99.200 -91.000 TYR 234 0.840 48.194 57.521 -4.119 -99.200 -91.000 TRP 242 1.040 54.754 48.661 -3.563 -99.200 -91.000 TRP6 242 1.020 52.887 47.369 -4.266 -99.200 -91.000 TRP 244 1.040 49.379 39.571 -2.584 -99.200 -91.000 TRP6 244 1.020 47.722 40.275 -1.040 -99.200 -91.000 PHE 245 1.000 56.898 40.030 -0.566 -99.200 -91.000 PHE 249 1.000 52.550 36.151 -8.319 -99.200 -91.000 TYR 254 0.840 55.916 31.305 -16.922 -99.200 -91.000 PHE 269 1.000 41.447 17.948 10.424 -99.200 -91.000 TYR 276 0.840 47.928 32.963 -7.447 -99.200 -91.000 HIS 279 0.900 38.576 33.963 -4.664 -99.200 -91.000 HIS 280 0.900 41.490 34.174 -1.253 -99.200 -91.000 PHE 283 1.000 48.512 45.530 -4.006 -99.200 -91.000 TYR 285 0.840 40.435 41.174 -8.419 -99.200 -91.000 TRP 286 1.040 43.326 49.301 -9.156 -99.200 -91.000 TRP6 286 1.020 42.673 48.141 -7.201 -99.200 -91.000 HIS 293 0.900 51.945 37.390 -19.392 -99.200 -91.000 HIS 294 0.900 51.054 34.347 -11.243 -99.200 -91.000 TYR 302 0.840 66.450 46.157 -9.606 -99.200 -91.000 HIS 311 0.900 56.649 47.380 -6.460 -99.200 -91.000 TYR 313 0.840 57.918 40.991 -5.369 -99.200 -91.000 PHE 318 1.000 58.567 38.901 4.492 -99.200 -91.000 TRP 319 1.040 59.961 33.355 3.937 -99.200 -91.000 TRP6 319 1.020 59.445 34.378 6.013 -99.200 -91.000 TYR 332 0.840 49.477 44.815 1.599 -99.200 -91.000 TYR 338 0.840 49.555 23.652 3.251 -99.200 -91.000 HIS 342 0.900 37.605 29.453 2.671 -99.200 -91.000 TYR 345 0.840 40.797 26.840 1.096 -99.200 -91.000 TRP 354 1.040 50.571 31.693 7.184 -99.200 -91.000 TRP6 354 1.020 52.169 32.252 5.527 -99.200 -91.000 TRP 368 1.040 61.336 41.782 17.151 -99.200 -91.000 TRP6 368 1.020 58.989 41.538 16.950 -99.200 -91.000 TYR 377 0.840 41.800 35.755 10.561 -99.200 -91.000 TYR 384 0.840 26.576 34.573 17.084 -99.200 -91.000 HIS 386 0.900 29.068 39.861 20.629 -99.200 -91.000 TYR 388 0.840 22.416 46.040 13.214 -99.200 -91.000 PHE 394 1.000 32.730 55.373 0.613 -99.200 -91.000 TYR 403 0.840 32.989 50.425 8.793 -99.200 -91.000 TYR 415 0.840 59.101 50.667 18.672 -99.200 -91.000 TYR 420 0.840 45.723 48.652 25.233 -99.200 -91.000 HIS 423 0.900 38.050 47.418 24.444 -99.200 -91.000 PHE 434 1.000 51.224 52.007 11.067 -99.200 -91.000 TYR 437 0.840 50.256 58.759 11.901 -99.200 -91.000 TRP 439 1.040 56.676 54.022 5.096 -99.200 -91.000 TRP6 439 1.020 55.518 52.327 6.268 -99.200 -91.000 TYR 447 0.840 35.846 55.970 -7.330 -99.200 -91.000 TYR 452 0.840 34.608 59.185 4.787 -99.200 -91.000 PHE 460 1.000 52.047 50.092 16.335 -99.200 -91.000 PHE 462 1.000 54.699 53.924 17.701 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2d1gA1 ASN 5 HA 0.09 -0.04 0.17 -0.75 4.76 4.23 2d1gA1 ASN 5 HB2 -0.00 0.24 0.12 -0.04 2.88 3.19 2d1gA1 ASN 5 HB3 0.11 -0.07 0.12 -0.04 2.79 2.91 2d1gA1 ASN 5 HD21 -0.01 -0.30 0.10 -0.04 7.03 6.78 2d1gA1 ASN 5 HD22 -0.04 0.58 0.08 -0.04 7.74 8.32 2d1gA1 SER 6 H 0.02 0.21 0.14 -0.55 8.46 8.28 2d1gA1 SER 6 HA 0.03 -0.04 0.52 -0.75 4.49 4.23 2d1gA1 SER 6 HB2 -0.00 0.00 0.07 -0.04 3.95 3.98 2d1gA1 SER 6 HB3 -0.00 0.01 0.14 -0.04 3.93 4.04 2d1gA1 LYS 7 H -0.02 0.15 -0.19 -0.55 8.42 7.80 2d1gA1 LYS 7 HA -0.06 0.16 0.86 -0.75 4.32 4.53 2d1gA1 LYS 7 HB2 -0.13 0.01 -0.06 -0.04 1.87 1.65 2d1gA1 LYS 7 HB3 -0.12 0.06 0.06 -0.04 1.79 1.74 2d1gA1 LYS 7 HG2 -0.04 -0.13 -0.23 -0.04 1.46 1.01 2d1gA1 LYS 7 HG3 -0.06 -0.00 -0.07 -0.04 1.46 1.29 2d1gA1 LYS 7 HD2 -0.05 0.00 -0.03 -0.04 1.69 1.57 2d1gA1 LYS 7 HD3 -0.03 0.19 -0.18 -0.04 1.68 1.62 2d1gA1 LYS 7 HE2 -0.02 -0.05 -0.15 -0.04 2.99 2.73 2d1gA1 LYS 7 HE3 -0.03 -0.02 -0.07 -0.04 2.99 2.82 2d1gA1 PRO 8 HA -2.39 0.04 0.46 -0.51 4.44 2.04 2d1gA1 PRO 8 HB2 -0.37 -0.00 0.05 -0.04 2.28 1.92 2d1gA1 PRO 8 HB3 -0.39 0.05 0.10 -0.04 2.02 1.73 2d1gA1 PRO 8 HG2 -0.08 -0.01 0.12 -0.04 2.03 2.02 2d1gA1 PRO 8 HG3 -0.08 0.14 0.16 -0.04 2.03 2.21 2d1gA1 PRO 8 HD2 -0.17 0.07 0.19 -0.04 3.68 3.73 2d1gA1 PRO 8 HD3 -0.10 0.10 0.21 -0.04 3.65 3.82 2d1gA1 ASN 9 H -1.29 0.12 0.16 -0.55 8.53 6.98 2d1gA1 ASN 9 HA -0.36 0.04 0.56 -0.75 4.76 4.25 2d1gA1 ASN 9 HB2 -0.77 0.05 0.07 -0.04 2.88 2.19 2d1gA1 ASN 9 HB3 -0.32 0.12 0.01 -0.04 2.79 2.55 2d1gA1 ASN 9 HD21 -0.09 -0.04 0.04 -0.04 7.03 6.90 2d1gA1 ASN 9 HD22 -0.54 0.05 0.05 -0.04 7.74 7.27 2d1gA1 ASP 10 H -0.18 0.09 0.13 -0.55 8.40 7.89 2d1gA1 ASP 10 HA -0.30 0.12 0.73 -0.75 4.63 4.43 2d1gA1 ASP 10 HB2 -0.09 0.05 0.12 -0.04 2.71 2.75 2d1gA1 ASP 10 HB3 -0.03 -0.00 0.12 -0.04 2.70 2.75 2d1gA1 TYR 11 H -0.09 0.16 0.06 -0.55 8.29 7.88 2d1gA1 TYR 11 HA 0.33 0.16 0.46 -0.75 4.56 4.76 2d1gA1 TYR 11 HB2 0.16 0.02 -0.02 -0.04 3.06 3.17 2d1gA1 TYR 11 HB3 0.33 0.03 0.06 -0.04 2.98 3.35 2d1gA1 TYR 11 HD2 0.09 0.00 -0.15 -0.04 7.15 7.05 2d1gA1 TYR 11 HE2 -0.13 0.12 -0.05 -0.04 6.85 6.76 2d1gA1 GLY 12 H 0.13 -0.05 -0.34 -0.55 8.43 7.62 2d1gA1 GLY 12 HA2 0.09 -0.02 0.19 -0.51 4.01 3.77 2d1gA1 GLY 12 HA3 0.14 0.08 0.27 -0.51 4.01 3.98 2d1gA1 THR 13 H 0.08 0.10 0.13 -0.55 8.28 8.04 2d1gA1 THR 13 HA 0.06 -0.04 0.30 -0.75 4.39 3.95 2d1gA1 LEU 14 H 0.06 0.08 0.11 -0.55 8.37 8.08 2d1gA1 LEU 14 HA 0.08 0.21 0.41 -0.75 4.35 4.30 2d1gA1 GLN 19 HA -0.04 0.08 0.18 -0.75 4.36 3.83 2d1gA1 GLN 19 HB2 -0.11 -0.09 0.09 -0.04 2.15 2.00 2d1gA1 GLN 19 HB3 -0.05 -0.02 0.09 -0.04 2.02 2.01 2d1gA1 GLN 19 HG2 -0.11 -0.01 -0.14 -0.04 2.40 2.10 2d1gA1 GLN 19 HG3 -0.38 0.10 0.07 -0.04 2.39 2.14 2d1gA1 GLN 19 HE21 -0.21 -0.01 -0.01 -0.04 6.97 6.71 2d1gA1 GLN 19 HE22 -0.14 0.03 -0.03 -0.04 7.69 7.50 2d1gA1 LYS 20 H 0.10 0.56 0.21 -0.55 8.42 8.74 2d1gA1 LYS 20 HA 0.14 0.05 0.76 -0.75 4.32 4.51 2d1gA1 LYS 20 HB2 0.11 0.09 -0.22 -0.04 1.87 1.82 2d1gA1 LYS 20 HB3 0.17 -0.06 0.04 -0.04 1.79 1.89 2d1gA1 LYS 20 HG2 0.25 0.06 -0.30 -0.04 1.46 1.43 2d1gA1 LYS 20 HG3 0.13 -0.01 0.03 -0.04 1.46 1.56 2d1gA1 LYS 20 HD2 0.21 -0.02 -0.05 -0.04 1.69 1.79 2d1gA1 LYS 20 HD3 0.20 0.04 -0.07 -0.04 1.68 1.81 2d1gA1 LYS 20 HE2 0.08 -0.01 -0.01 -0.04 2.99 3.01 2d1gA1 LYS 20 HE3 0.09 0.01 -0.01 -0.04 2.99 3.03 2d1gA1 LEU 21 H 0.07 0.15 0.12 -0.55 8.37 8.16 2d1gA1 LEU 21 HA -0.36 0.02 0.60 -0.75 4.35 3.85 2d1gA1 LEU 21 HB2 -0.34 -0.07 0.05 -0.04 1.64 1.24 2d1gA1 LEU 21 HB3 -0.08 -0.01 0.13 -0.04 1.64 1.63 2d1gA1 LEU 21 HG -0.17 0.24 -0.12 -0.04 1.64 1.55 2d1gA1 LEU 21 HD13 -0.76 -0.02 -0.06 -0.04 0.93 0.05 2d1gA1 LEU 21 HD23 -0.15 -0.03 -0.04 -0.04 0.89 0.63 2d1gA1 PHE 22 H -0.11 0.06 0.20 -0.55 8.34 7.94 2d1gA1 PHE 22 HA 0.00 0.11 0.64 -0.75 4.62 4.62 2d1gA1 PHE 22 HB2 0.01 -0.05 -0.02 -0.04 3.15 3.05 2d1gA1 PHE 22 HB3 0.03 0.26 0.06 -0.04 3.06 3.38 2d1gA1 PHE 22 HD2 0.08 0.00 -0.43 -0.04 7.28 6.90 2d1gA1 PHE 22 HE2 0.20 0.04 -0.08 -0.04 7.38 7.49 2d1gA1 PHE 22 HZ 0.18 -0.03 0.04 -0.04 7.32 7.47 2d1gA1 ASN 23 H 0.10 0.19 0.19 -0.55 8.53 8.46 2d1gA1 ASN 23 HA 0.04 0.04 0.54 -0.75 4.76 4.63 2d1gA1 ASN 23 HB2 0.03 0.08 0.08 -0.04 2.88 3.02 2d1gA1 ASN 23 HB3 0.03 -0.01 0.07 -0.04 2.79 2.84 2d1gA1 ASN 23 HD21 0.01 -0.04 0.03 -0.04 7.03 6.99 2d1gA1 ASN 23 HD22 0.00 0.05 0.02 -0.04 7.74 7.78 2d1gA1 ASN 24 H 0.03 0.07 0.15 -0.55 8.53 8.24 2d1gA1 ASN 24 HA 0.06 0.12 0.46 -0.75 4.76 4.65 2d1gA1 ASN 24 HB2 0.03 0.04 0.17 -0.04 2.88 3.09 2d1gA1 ASN 24 HB3 0.04 -0.06 0.11 -0.04 2.79 2.84 2d1gA1 ASN 24 HD21 0.04 0.45 0.25 -0.04 7.03 7.73 2d1gA1 ASN 24 HD22 0.02 -0.05 0.12 -0.04 7.74 7.79 2d1gA1 ALA 25 H 0.10 0.24 0.17 -0.55 8.40 8.36 2d1gA1 ALA 25 HA 0.08 0.06 0.41 -0.75 4.34 4.14 2d1gA1 ALA 25 HB3 0.06 0.04 0.08 -0.04 1.41 1.56 2d1gA1 ASN 26 H 0.08 0.01 -0.38 -0.55 8.53 7.70 2d1gA1 ASN 26 HA -0.00 0.16 0.39 -0.75 4.76 4.55 2d1gA1 ASN 26 HB2 0.07 -0.05 -0.01 -0.04 2.88 2.84 2d1gA1 ASN 26 HB3 0.05 0.02 0.05 -0.04 2.79 2.86 2d1gA1 ASN 26 HD21 0.19 -0.03 -0.05 -0.04 7.03 7.09 2d1gA1 ASN 26 HD22 0.11 0.01 -0.01 -0.04 7.74 7.81 2d1gA1 THR 27 H 0.03 0.56 -0.33 -0.55 8.28 7.99 2d1gA1 THR 27 HA -0.00 0.10 0.63 -0.75 4.39 4.36 2d1gA1 THR 27 HB 0.00 -0.06 0.09 -0.04 4.32 4.31 2d1gA1 THR 27 HG23 0.02 -0.04 -0.01 -0.04 1.22 1.15 2d1gA1 LEU 28 H 0.03 0.27 -0.25 -0.55 8.37 7.87 2d1gA1 LEU 28 HA 0.01 -0.06 0.41 -0.75 4.35 3.96 2d1gA1 LEU 28 HB2 0.12 0.31 0.19 -0.04 1.64 2.22 2d1gA1 LEU 28 HB3 0.15 0.10 -0.10 -0.04 1.64 1.75 2d1gA1 LEU 28 HG 0.11 0.03 0.05 -0.04 1.64 1.78 2d1gA1 LEU 28 HD13 0.03 0.02 -0.07 -0.04 0.93 0.87 2d1gA1 LEU 28 HD23 0.18 -0.03 0.11 -0.04 0.89 1.10 2d1gA1 LYS 29 H -0.03 0.05 0.18 -0.55 8.42 8.07 2d1gA1 LYS 29 HA -0.12 0.08 0.70 -0.75 4.32 4.23 2d1gA1 LYS 29 HB2 -0.07 -0.04 0.13 -0.04 1.87 1.85 2d1gA1 LYS 29 HB3 -0.07 -0.03 0.17 -0.04 1.79 1.82 2d1gA1 LYS 29 HG2 -0.15 0.08 -0.34 -0.04 1.46 1.01 2d1gA1 LYS 29 HG3 -0.12 -0.00 0.00 -0.04 1.46 1.30 2d1gA1 LYS 29 HD2 -0.08 -0.06 -0.00 -0.04 1.69 1.52 2d1gA1 LYS 29 HD3 -0.08 0.00 -0.03 -0.04 1.68 1.53 2d1gA1 LYS 29 HE2 -0.09 -0.07 -0.04 -0.04 2.99 2.75 2d1gA1 LYS 29 HE3 -0.13 0.04 -0.12 -0.04 2.99 2.74 2d1gA1 THR 30 H -0.24 0.20 0.19 -0.55 8.28 7.88 2d1gA1 THR 30 HA -0.49 0.36 0.93 -0.75 4.39 4.44 2d1gA1 THR 30 HB -0.78 -0.18 0.12 -0.04 4.32 3.43 2d1gA1 THR 30 HG23 -0.81 0.02 -0.23 -0.04 1.22 0.15 2d1gA1 THR 31 H -0.59 0.40 0.36 -0.55 8.28 7.90 2d1gA1 THR 31 HA -0.37 0.05 0.51 -0.75 4.39 3.83 2d1gA1 THR 31 HB -0.75 -0.10 0.07 -0.04 4.32 3.49 2d1gA1 THR 31 HG23 -0.62 -0.04 0.01 -0.04 1.22 0.53 2d1gA1 THR 32 H -0.55 0.12 -0.00 -0.55 8.28 7.30 2d1gA1 THR 32 HA -0.66 0.20 0.76 -0.75 4.39 3.93 2d1gA1 THR 32 HB -1.73 0.02 0.09 -0.04 4.32 2.66 2d1gA1 THR 32 HG23 -0.13 -0.01 -0.12 -0.04 1.22 0.91 2d1gA1 PRO 33 HA -0.34 0.14 0.45 -0.51 4.44 4.17 2d1gA1 PRO 33 HB2 -1.05 0.01 -0.06 -0.04 2.28 1.15 2d1gA1 PRO 33 HB3 -0.33 0.05 0.10 -0.04 2.02 1.80 2d1gA1 PRO 33 HG2 -0.79 0.05 0.08 -0.04 2.03 1.33 2d1gA1 PRO 33 HG3 -0.44 0.07 0.06 -0.04 2.03 1.68 2d1gA1 PRO 33 HD2 -2.12 0.03 0.15 -0.04 3.68 1.70 2d1gA1 PRO 33 HD3 -1.00 0.13 0.18 -0.04 3.65 2.93 2d1gA1 ILE 34 H -0.51 -0.07 -0.53 -0.55 8.25 6.59 2d1gA1 ILE 34 HA -0.06 0.19 0.40 -0.75 4.18 3.96 2d1gA1 ILE 34 HB -0.14 -0.06 -0.02 -0.04 1.89 1.63 2d1gA1 ILE 34 HG12 -0.31 -0.08 -0.10 -0.04 1.49 0.96 2d1gA1 ILE 34 HG13 -0.14 -0.06 -0.12 -0.04 1.21 0.84 2d1gA1 ILE 34 HG23 0.21 0.00 -0.25 -0.04 0.93 0.85 2d1gA1 ILE 34 HD13 0.07 0.01 -0.36 -0.04 0.88 0.57 2d1gA1 LYS 35 H 0.00 0.48 0.37 -0.55 8.42 8.73 2d1gA1 LYS 35 HA -0.12 0.19 0.81 -0.75 4.32 4.44 2d1gA1 LYS 35 HB2 -0.12 -0.05 0.03 -0.04 1.87 1.68 2d1gA1 LYS 35 HB3 -0.28 -0.03 -0.05 -0.04 1.79 1.39 2d1gA1 LYS 35 HG2 -0.09 0.14 -0.07 -0.04 1.46 1.40 2d1gA1 LYS 35 HG3 -0.04 -0.08 0.01 -0.04 1.46 1.31 2d1gA1 LYS 35 HD2 -0.09 0.09 0.00 -0.04 1.69 1.65 2d1gA1 LYS 35 HD3 -0.21 0.04 -0.18 -0.04 1.68 1.29 2d1gA1 LYS 35 HE2 -0.16 -0.05 -0.10 -0.04 2.99 2.65 2d1gA1 LYS 35 HE3 -0.09 -0.03 -0.02 -0.04 2.99 2.82 2d1gA1 HIS 36 H 0.21 0.32 0.15 -0.55 8.41 8.54 2d1gA1 HIS 36 HA 0.33 0.37 0.87 -0.75 4.63 5.45 2d1gA1 HIS 36 HB2 0.15 -0.12 -0.03 -0.04 3.26 3.23 2d1gA1 HIS 36 HB3 0.16 0.03 -0.10 -0.04 3.20 3.25 2d1gA1 HIS 36 HD2 0.09 0.02 -0.26 -0.04 6.97 6.77 2d1gA1 HIS 36 HE1 0.07 -0.08 -0.17 -0.04 7.75 7.53 2d1gA1 VAL 37 H 0.36 0.74 0.30 -0.55 8.24 9.09 2d1gA1 VAL 37 HA 0.27 0.27 1.05 -0.75 4.13 4.96 2d1gA1 VAL 37 HB 0.66 -0.00 -0.01 -0.04 2.12 2.73 2d1gA1 VAL 37 HG13 0.20 0.01 0.04 -0.04 0.97 1.18 2d1gA1 VAL 37 HG23 0.23 -0.02 -0.07 -0.04 0.95 1.06 2d1gA1 VAL 38 H 0.10 0.72 0.38 -0.55 8.24 8.89 2d1gA1 VAL 38 HA -0.05 0.26 1.02 -0.75 4.13 4.60 2d1gA1 VAL 38 HB 0.01 -0.05 0.15 -0.04 2.12 2.19 2d1gA1 VAL 38 HG13 -0.27 -0.03 -0.18 -0.04 0.97 0.45 2d1gA1 VAL 38 HG23 0.13 0.01 -0.23 -0.04 0.95 0.82 2d1gA1 ILE 39 H -0.16 0.86 0.40 -0.55 8.25 8.80 2d1gA1 ILE 39 HA -0.01 0.20 1.01 -0.75 4.18 4.63 2d1gA1 ILE 39 HB -0.23 -0.03 0.22 -0.04 1.89 1.80 2d1gA1 ILE 39 HG12 0.01 -0.02 -0.07 -0.04 1.49 1.37 2d1gA1 ILE 39 HG13 -0.05 -0.05 -0.36 -0.04 1.21 0.71 2d1gA1 ILE 39 HG23 0.10 -0.01 -0.14 -0.04 0.93 0.84 2d1gA1 ILE 39 HD13 -0.37 0.02 -0.12 -0.04 0.88 0.36 2d1gA1 ILE 40 H 0.01 0.81 0.37 -0.55 8.25 8.90 2d1gA1 ILE 40 HA 0.08 0.14 0.83 -0.75 4.18 4.48 2d1gA1 ILE 40 HB 0.01 -0.00 0.22 -0.04 1.89 2.08 2d1gA1 ILE 40 HG12 -0.09 -0.03 -0.11 -0.04 1.49 1.22 2d1gA1 ILE 40 HG13 -0.08 0.06 -0.13 -0.04 1.21 1.02 2d1gA1 ILE 40 HG23 0.22 -0.02 -0.10 -0.04 0.93 0.99 2d1gA1 ILE 40 HD13 -0.20 -0.01 -0.09 -0.04 0.88 0.54 2d1gA1 PHE 41 H 0.18 0.58 0.34 -0.55 8.34 8.89 2d1gA1 PHE 41 HA -0.03 0.27 0.75 -0.75 4.62 4.86 2d1gA1 PHE 41 HB2 0.10 -0.01 0.03 -0.04 3.15 3.23 2d1gA1 PHE 41 HB3 0.03 -0.03 0.25 -0.04 3.06 3.28 2d1gA1 PHE 41 HD2 0.21 0.05 -0.06 -0.04 7.28 7.44 2d1gA1 PHE 41 HE2 0.11 0.03 -0.24 -0.04 7.38 7.24 2d1gA1 PHE 41 HZ 0.08 0.00 -0.26 -0.04 7.32 7.11 2d1gA1 GLN 42 H -0.36 0.44 0.31 -0.55 8.47 8.32 2d1gA1 GLN 42 HA -0.22 0.11 0.63 -0.75 4.36 4.13 2d1gA1 GLN 42 HB2 -1.73 -0.03 -0.06 -0.04 2.15 0.30 2d1gA1 GLN 42 HB3 -0.41 0.03 0.09 -0.04 2.02 1.68 2d1gA1 GLN 42 HG2 -0.10 0.06 -0.12 -0.04 2.40 2.19 2d1gA1 GLN 42 HG3 -0.03 -0.04 -0.08 -0.04 2.39 2.21 2d1gA1 GLN 42 HE21 0.09 0.12 0.01 -0.04 6.97 7.15 2d1gA1 GLN 42 HE22 0.14 -0.04 -0.13 -0.04 7.69 7.62 2d1gA1 GLU 43 H -0.09 0.62 0.31 -0.55 8.60 8.90 2d1gA1 GLU 43 HA -0.18 -0.02 0.88 -0.75 4.29 4.22 2d1gA1 GLU 43 HB2 0.03 -0.01 -0.10 -0.04 2.09 1.97 2d1gA1 GLU 43 HB3 0.04 -0.06 -0.12 -0.04 1.99 1.81 2d1gA1 GLU 43 HG2 -0.18 0.09 -0.16 -0.04 2.34 2.05 2d1gA1 GLU 43 HG3 0.09 -0.03 -0.04 -0.04 2.34 2.32 2d1gA1 ASN 44 H -0.02 0.05 0.20 -0.55 8.53 8.21 2d1gA1 ASN 44 HA -0.17 -0.09 0.02 -0.75 4.76 3.77 2d1gA1 ASN 44 HB2 -0.30 0.08 -0.60 -0.04 2.88 2.02 2d1gA1 ASN 44 HB3 -0.42 0.01 0.02 -0.04 2.79 2.35 2d1gA1 ASN 44 HD21 -0.96 0.00 -0.04 -0.04 7.03 5.99 2d1gA1 ASN 44 HD22 -1.01 0.05 -0.01 -0.04 7.74 6.73 2d1gA1 ASN 45 H -0.15 0.31 0.14 -0.55 8.53 8.28 2d1gA1 ASN 45 HA -0.28 0.14 0.56 -0.75 4.76 4.43 2d1gA1 ASN 45 HB2 -1.15 -0.06 -0.06 -0.04 2.88 1.57 2d1gA1 ASN 45 HB3 -1.16 0.01 -0.01 -0.04 2.79 1.59 2d1gA1 ASN 45 HD21 -0.07 0.22 -0.09 -0.04 7.03 7.05 2d1gA1 ASN 45 HD22 -0.09 -0.03 -0.31 -0.04 7.74 7.26 2d1gA1 SER 46 H -0.13 0.17 0.16 -0.55 8.46 8.12 2d1gA1 SER 46 HA -0.04 0.23 0.70 -0.75 4.49 4.63 2d1gA1 SER 46 HB2 0.03 -0.04 0.13 -0.04 3.95 4.03 2d1gA1 SER 46 HB3 0.04 0.08 0.04 -0.04 3.93 4.05 2d1gA1 PHE 47 H 0.10 0.59 0.02 -0.55 8.34 8.50 2d1gA1 PHE 47 HA 0.03 0.08 0.28 -0.75 4.62 4.25 2d1gA1 PHE 47 HB2 -0.13 0.08 -0.31 -0.04 3.15 2.75 2d1gA1 PHE 47 HB3 -0.11 -0.05 -0.00 -0.04 3.06 2.86 2d1gA1 PHE 47 HD2 -0.06 0.03 -0.25 -0.04 7.28 6.95 2d1gA1 PHE 47 HE2 -0.14 0.07 -0.26 -0.04 7.38 7.02 2d1gA1 PHE 47 HZ -0.12 0.04 -0.16 -0.04 7.32 7.03 2d1gA1 ASP 48 H 0.12 0.16 -0.03 -0.55 8.40 8.10 2d1gA1 ASP 48 HA 0.18 0.00 0.31 -0.75 4.63 4.36 2d1gA1 ASP 48 HB2 -0.06 0.14 0.17 -0.04 2.71 2.93 2d1gA1 ASP 48 HB3 0.08 0.11 -0.02 -0.04 2.70 2.82 2d1gA1 ARG 49 H 0.02 0.09 -0.42 -0.55 8.46 7.60 2d1gA1 ARG 49 HA 0.13 0.17 0.44 -0.75 4.34 4.33 2d1gA1 ARG 49 HB2 0.02 0.07 0.15 -0.04 1.90 2.10 2d1gA1 ARG 49 HB3 -0.08 -0.01 0.14 -0.04 1.80 1.82 2d1gA1 ARG 49 HG2 0.23 -0.06 -0.14 -0.04 1.67 1.66 2d1gA1 ARG 49 HG3 0.02 0.08 0.09 -0.04 1.67 1.82 2d1gA1 ARG 49 HD2 0.00 0.08 0.08 -0.04 3.22 3.35 2d1gA1 ARG 49 HD3 -0.09 -0.10 0.11 -0.04 3.22 3.10 2d1gA1 TYR 50 H 0.07 0.36 -0.17 -0.55 8.29 7.99 2d1gA1 TYR 50 HA -0.04 0.09 0.74 -0.75 4.56 4.60 2d1gA1 TYR 50 HB2 -0.12 0.12 0.05 -0.04 3.06 3.07 2d1gA1 TYR 50 HB3 -0.31 -0.02 -0.08 -0.04 2.98 2.53 2d1gA1 TYR 50 HD2 -0.01 0.03 -0.20 -0.04 7.15 6.92 2d1gA1 TYR 50 HE2 0.09 -0.00 -0.07 -0.04 6.85 6.82 2d1gA1 PHE 51 H -0.10 0.66 0.11 -0.55 8.34 8.47 2d1gA1 PHE 51 HA 0.08 0.16 0.90 -0.75 4.62 5.00 2d1gA1 PHE 51 HB2 -1.65 0.04 -0.03 -0.04 3.15 1.47 2d1gA1 PHE 51 HB3 -0.68 0.00 0.01 -0.04 3.06 2.35 2d1gA1 PHE 51 HD2 -0.67 -0.02 -0.09 -0.04 7.28 6.45 2d1gA1 PHE 51 HE2 -0.20 0.00 -0.14 -0.04 7.38 6.99 2d1gA1 PHE 51 HZ 0.07 0.05 -0.22 -0.04 7.32 7.18 2d1gA1 GLY 52 H 0.04 0.35 0.09 -0.55 8.43 8.37 2d1gA1 GLY 52 HA2 0.23 -0.02 0.47 -0.51 4.01 4.18 2d1gA1 GLY 52 HA3 0.08 0.12 0.42 -0.51 4.01 4.13 2d1gA1 MET 53 H 0.15 0.17 -0.29 -0.55 8.47 7.95 2d1gA1 MET 53 HA -0.01 0.18 0.66 -0.75 4.52 4.60 2d1gA1 MET 53 HB2 -0.30 -0.02 -0.04 -0.04 2.15 1.75 2d1gA1 MET 53 HB3 0.36 0.02 -0.01 -0.04 2.03 2.35 2d1gA1 MET 53 HG2 0.17 -0.09 0.00 -0.04 2.63 2.67 2d1gA1 MET 53 HG3 0.22 0.20 0.19 -0.04 2.56 3.13 2d1gA1 MET 53 HE3 -0.53 0.01 -0.12 -0.04 2.10 1.42 2d1gA1 TYR 54 H 0.07 0.23 -0.41 -0.55 8.29 7.63 2d1gA1 TYR 54 HA -1.51 -0.11 0.41 -0.75 4.56 2.60 2d1gA1 TYR 54 HB2 -0.89 -0.07 0.11 -0.04 3.06 2.17 2d1gA1 TYR 54 HB3 -0.23 0.16 0.07 -0.04 2.98 2.94 2d1gA1 TYR 54 HD2 -1.33 -0.06 -0.15 -0.04 7.15 5.58 2d1gA1 TYR 54 HE2 -0.11 0.12 -0.08 -0.04 6.85 6.74 2d1gA1 PRO 55 HA -1.48 -0.03 0.28 -0.51 4.44 2.71 2d1gA1 PRO 55 HB2 -0.19 -0.07 0.19 -0.04 2.28 2.17 2d1gA1 PRO 55 HB3 -1.38 0.07 0.05 -0.04 2.02 0.72 2d1gA1 PRO 55 HG2 -0.16 -0.03 -0.02 -0.04 2.03 1.79 2d1gA1 PRO 55 HG3 -0.27 0.12 -0.00 -0.04 2.03 1.84 2d1gA1 PRO 55 HD2 -0.15 0.06 0.14 -0.04 3.68 3.69 2d1gA1 PRO 55 HD3 -0.21 0.18 0.23 -0.04 3.65 3.81 2d1gA1 ASN 56 H -0.00 0.74 0.24 -0.55 8.53 8.95 2d1gA1 ASN 56 HA 0.20 0.12 0.92 -0.75 4.76 5.26 2d1gA1 ASN 56 HB2 0.11 0.09 0.16 -0.04 2.88 3.20 2d1gA1 ASN 56 HB3 0.11 -0.01 -0.00 -0.04 2.79 2.84 2d1gA1 ASN 56 HD21 0.00 -0.00 -0.10 -0.04 7.03 6.89 2d1gA1 ASN 56 HD22 0.06 0.03 -0.08 -0.04 7.74 7.71 2d1gA1 ALA 57 H 0.34 0.29 0.18 -0.55 8.40 8.67 2d1gA1 ALA 57 HA 0.10 0.09 0.90 -0.75 4.34 4.68 2d1gA1 ALA 57 HB3 0.09 0.01 0.05 -0.04 1.41 1.52 2d1gA1 LYS 58 H 0.03 0.04 0.14 -0.55 8.42 8.07 2d1gA1 LYS 58 HA 0.06 0.15 0.43 -0.75 4.32 4.21 2d1gA1 LYS 58 HB2 0.05 0.02 0.08 -0.04 1.87 1.98 2d1gA1 LYS 58 HB3 0.02 -0.06 0.09 -0.04 1.79 1.80 2d1gA1 LYS 58 HG2 0.03 0.01 -0.21 -0.04 1.46 1.25 2d1gA1 LYS 58 HG3 0.04 0.03 0.01 -0.04 1.46 1.50 2d1gA1 LYS 58 HD2 0.03 0.01 -0.01 -0.04 1.69 1.68 2d1gA1 LYS 58 HD3 0.02 -0.03 -0.02 -0.04 1.68 1.60 2d1gA1 LYS 58 HE2 0.02 -0.02 -0.04 -0.04 2.99 2.91 2d1gA1 LYS 58 HE3 0.02 0.02 -0.02 -0.04 2.99 2.97 2d1gA1 ASN 59 H 0.03 -0.08 -0.11 -0.55 8.53 7.81 2d1gA1 ASN 59 HA 0.02 0.05 0.21 -0.75 4.76 4.29 2d1gA1 ASN 59 HB2 0.04 0.17 -0.10 -0.04 2.88 2.95 2d1gA1 ASN 59 HB3 0.03 -0.03 0.08 -0.04 2.79 2.83 2d1gA1 ASN 59 HD21 0.10 0.43 -0.16 -0.04 7.03 7.36 2d1gA1 ASN 59 HD22 0.05 -0.01 -0.11 -0.04 7.74 7.64 2d1gA1 PRO 60 HA 0.01 0.11 0.60 -0.51 4.44 4.65 2d1gA1 PRO 60 HB2 0.01 0.10 -0.03 -0.04 2.28 2.32 2d1gA1 PRO 60 HB3 0.01 0.03 0.05 -0.04 2.02 2.07 2d1gA1 PRO 60 HG2 0.00 0.04 -0.00 -0.04 2.03 2.03 2d1gA1 PRO 60 HG3 0.01 0.02 0.00 -0.04 2.03 2.02 2d1gA1 PRO 60 HD2 0.00 0.01 0.09 -0.04 3.68 3.74 2d1gA1 PRO 60 HD3 0.01 0.00 -0.16 -0.04 3.65 3.47 2d1gA1 GLU 61 H 0.01 0.08 0.14 -0.55 8.60 8.28 2d1gA1 GLU 61 HA 0.01 0.05 0.31 -0.75 4.29 3.90 2d1gA1 GLY 62 H 0.00 0.13 0.13 -0.55 8.43 8.15 2d1gA1 GLY 62 HA2 0.00 -0.03 0.33 -0.51 4.01 3.80 2d1gA1 GLY 62 HA3 0.00 0.09 0.41 -0.51 4.01 4.00 2d1gA1 GLU 63 H 0.00 0.41 -0.42 -0.55 8.60 8.05 2d1gA1 GLU 63 HA -0.01 0.14 0.71 -0.75 4.29 4.38 2d1gA1 GLU 63 HB2 -0.01 0.02 0.00 -0.04 2.09 2.06 2d1gA1 GLU 63 HB3 -0.02 0.09 0.12 -0.04 1.99 2.13 2d1gA1 GLU 63 HG2 0.00 0.01 -0.04 -0.04 2.34 2.26 2d1gA1 GLU 63 HG3 0.00 0.09 -0.14 -0.04 2.34 2.25 2d1gA1 PRO 64 HA -0.01 -0.04 0.39 -0.51 4.44 4.28 2d1gA1 PRO 64 HB2 -0.03 0.05 0.09 -0.04 2.28 2.35 2d1gA1 PRO 64 HB3 -0.02 -0.03 0.08 -0.04 2.02 2.01 2d1gA1 PRO 64 HG2 -0.05 0.09 0.18 -0.04 2.03 2.21 2d1gA1 PRO 64 HG3 -0.03 -0.03 0.15 -0.04 2.03 2.08 2d1gA1 PRO 64 HD2 -0.04 0.26 0.31 -0.04 3.68 4.16 2d1gA1 PRO 64 HD3 -0.02 0.11 0.29 -0.04 3.65 3.99 2d1gA1 LYS 65 H 0.01 0.05 0.15 -0.55 8.42 8.08 2d1gA1 LYS 65 HA 0.05 0.04 0.42 -0.75 4.32 4.08 2d1gA1 LYS 65 HB2 0.01 0.05 0.06 -0.04 1.87 1.96 2d1gA1 LYS 65 HB3 0.01 -0.03 0.07 -0.04 1.79 1.79 2d1gA1 LYS 65 HG2 0.02 -0.07 -0.28 -0.04 1.46 1.08 2d1gA1 LYS 65 HG3 0.02 0.05 -0.07 -0.04 1.46 1.42 2d1gA1 LYS 65 HD2 0.00 0.01 -0.04 -0.04 1.69 1.61 2d1gA1 LYS 65 HD3 -0.01 -0.02 -0.06 -0.04 1.68 1.55 2d1gA1 LYS 65 HE2 -0.02 -0.04 -0.10 -0.04 2.99 2.79 2d1gA1 LYS 65 HE3 0.00 0.05 -0.08 -0.04 2.99 2.92 2d1gA1 PHE 66 H 0.16 0.19 0.04 -0.55 8.34 8.18 2d1gA1 PHE 66 HA 0.06 0.19 0.57 -0.75 4.62 4.68 2d1gA1 PHE 66 HB2 0.04 0.16 -0.17 -0.04 3.15 3.14 2d1gA1 PHE 66 HB3 0.08 -0.18 0.03 -0.04 3.06 2.96 2d1gA1 PHE 66 HD2 0.22 0.00 -0.15 -0.04 7.28 7.30 2d1gA1 PHE 66 HE2 0.11 0.12 -0.19 -0.04 7.38 7.38 2d1gA1 PHE 66 HZ 0.03 0.05 -0.10 -0.04 7.32 7.26 2d1gA1 VAL 67 H -0.15 0.12 -0.05 -0.55 8.24 7.62 2d1gA1 VAL 67 HA -0.13 0.08 -0.00 -0.75 4.13 3.32 2d1gA1 VAL 67 HB -0.14 0.01 -0.01 -0.04 2.12 1.94 2d1gA1 VAL 67 HG13 -0.06 0.06 -0.01 -0.04 0.97 0.92 2d1gA1 VAL 67 HG23 -0.04 -0.00 -0.03 -0.04 0.95 0.84 2d1gA1 ALA 68 H -0.10 0.15 0.07 -0.55 8.40 7.98 2d1gA1 ALA 68 HA -0.27 0.01 0.39 -0.75 4.34 3.72 2d1gA1 ALA 68 HB3 -0.04 0.05 0.11 -0.04 1.41 1.50 2d1gA1 LYS 69 H -0.09 0.12 0.19 -0.55 8.42 8.08 2d1gA1 LYS 69 HA -0.07 0.02 0.61 -0.75 4.32 4.13 2d1gA1 LYS 69 HB2 -0.02 0.04 0.10 -0.04 1.87 1.96 2d1gA1 LYS 69 HB3 -0.03 0.08 0.10 -0.04 1.79 1.90 2d1gA1 LYS 69 HG2 -0.05 -0.05 0.08 -0.04 1.46 1.40 2d1gA1 LYS 69 HG3 -0.07 -0.04 0.11 -0.04 1.46 1.41 2d1gA1 LYS 69 HD2 0.01 0.14 0.12 -0.04 1.69 1.91 2d1gA1 LYS 69 HD3 -0.02 -0.01 0.06 -0.04 1.68 1.66 2d1gA1 LYS 69 HE2 -0.01 -0.08 -0.01 -0.04 2.99 2.85 2d1gA1 LYS 69 HE3 -0.02 0.15 -0.04 -0.04 2.99 3.04 2d1gA1 GLU 70 H -0.03 0.07 0.15 -0.55 8.60 8.25 2d1gA1 GLU 70 HA -0.02 0.00 0.56 -0.75 4.29 4.07 2d1gA1 GLU 70 HB2 -0.02 -0.01 0.15 -0.04 2.09 2.17 2d1gA1 GLU 70 HB3 -0.02 0.02 0.10 -0.04 1.99 2.05 2d1gA1 GLU 70 HG2 -0.01 0.06 -0.18 -0.04 2.34 2.17 2d1gA1 GLU 70 HG3 -0.01 -0.04 0.06 -0.04 2.34 2.31 2d1gA1 ASN 71 H -0.01 0.08 0.15 -0.55 8.53 8.20 2d1gA1 ASN 71 HA -0.00 -0.02 0.28 -0.75 4.76 4.26 2d1gA1 ASN 71 HB2 0.00 0.20 -0.14 -0.04 2.88 2.90 2d1gA1 ASN 71 HB3 0.01 0.02 0.17 -0.04 2.79 2.94 2d1gA1 ASN 71 HD21 0.00 -0.05 -0.04 -0.04 7.03 6.90 2d1gA1 ASN 71 HD22 0.00 0.06 -0.07 -0.04 7.74 7.69 2d1gA1 THR 72 H -0.02 0.16 -0.29 -0.55 8.28 7.59 2d1gA1 THR 72 HA 0.02 0.22 0.65 -0.75 4.39 4.52 2d1gA1 THR 72 HB -0.06 -0.10 0.09 -0.04 4.32 4.21 2d1gA1 THR 72 HG23 -0.06 0.04 -0.10 -0.04 1.22 1.06 2d1gA1 PRO 73 HA -0.00 -0.02 0.45 -0.51 4.44 4.36 2d1gA1 PRO 73 HB2 -0.06 -0.01 -0.06 -0.04 2.28 2.12 2d1gA1 PRO 73 HB3 -0.08 -0.03 0.14 -0.04 2.02 2.02 2d1gA1 PRO 73 HG2 -0.10 -0.12 0.19 -0.04 2.03 1.95 2d1gA1 PRO 73 HG3 -0.04 0.06 0.18 -0.04 2.03 2.19 2d1gA1 PRO 73 HD2 0.06 -0.02 0.08 -0.04 3.68 3.76 2d1gA1 PRO 73 HD3 0.03 0.37 0.41 -0.04 3.65 4.42 2d1gA1 ASN 74 H 0.03 0.04 0.14 -0.55 8.53 8.19 2d1gA1 ASN 74 HA 0.05 0.18 0.73 -0.75 4.76 4.96 2d1gA1 ASN 74 HB2 0.02 -0.07 0.10 -0.04 2.88 2.88 2d1gA1 ASN 74 HB3 0.02 0.08 0.03 -0.04 2.79 2.88 2d1gA1 ASN 74 HD21 -0.00 -0.01 -0.00 -0.04 7.03 6.97 2d1gA1 ASN 74 HD22 -0.00 -0.04 0.02 -0.04 7.74 7.68 2d1gA1 VAL 75 H 0.11 0.24 0.13 -0.55 8.24 8.16 2d1gA1 VAL 75 HA 0.13 0.14 0.74 -0.75 4.13 4.38 2d1gA1 VAL 75 HB 0.26 -0.05 -0.08 -0.04 2.12 2.20 2d1gA1 VAL 75 HG13 0.12 0.02 -0.20 -0.04 0.97 0.87 2d1gA1 VAL 75 HG23 0.24 0.05 -0.12 -0.04 0.95 1.08 2d1gA1 ASN 76 H -0.03 0.16 0.04 -0.55 8.53 8.15 2d1gA1 ASN 76 HA 0.02 0.08 0.66 -0.75 4.76 4.77 2d1gA1 ASN 76 HB2 -0.09 0.00 0.11 -0.04 2.88 2.86 2d1gA1 ASN 76 HB3 -0.17 0.08 0.24 -0.04 2.79 2.90 2d1gA1 ASN 76 HD21 0.01 -0.04 0.00 -0.04 7.03 6.96 2d1gA1 ASN 76 HD22 -0.09 0.07 0.07 -0.04 7.74 7.75 2d1gA1 GLY 77 H 0.08 0.33 -0.04 -0.55 8.43 8.25 2d1gA1 GLY 77 HA2 0.33 0.06 0.76 -0.51 4.01 4.65 2d1gA1 GLY 77 HA3 0.18 0.24 0.31 -0.51 4.01 4.22 2d1gA1 LEU 78 H 0.02 0.71 0.24 -0.55 8.37 8.80 2d1gA1 LEU 78 HA -0.12 -0.02 0.52 -0.75 4.35 3.97 2d1gA1 LEU 78 HB2 -0.12 0.08 0.01 -0.04 1.64 1.56 2d1gA1 LEU 78 HB3 -0.07 0.04 -0.10 -0.04 1.64 1.47 2d1gA1 LEU 78 HG 0.04 -0.13 0.01 -0.04 1.64 1.52 2d1gA1 LEU 78 HD13 -0.19 0.02 -0.13 -0.04 0.93 0.58 2d1gA1 LEU 78 HD23 0.16 0.01 -0.10 -0.04 0.89 0.92 2d1gA1 THR 79 H -0.12 0.10 0.23 -0.55 8.28 7.95 2d1gA1 THR 79 HA -0.04 0.20 0.44 -0.75 4.39 4.23 2d1gA1 THR 79 HB -0.03 -0.06 0.15 -0.04 4.32 4.33 2d1gA1 THR 79 HG23 -0.07 0.09 0.04 -0.04 1.22 1.23 2d1gA1 LYS 80 H -0.01 0.20 0.16 -0.55 8.42 8.20 2d1gA1 LYS 80 HA 0.00 0.14 0.45 -0.75 4.32 4.15 2d1gA1 LYS 80 HB2 -0.00 0.06 0.14 -0.04 1.87 2.04 2d1gA1 LYS 80 HB3 -0.00 -0.05 0.13 -0.04 1.79 1.83 2d1gA1 LYS 80 HG2 0.00 0.00 -0.22 -0.04 1.46 1.20 2d1gA1 LYS 80 HG3 0.01 0.04 0.03 -0.04 1.46 1.49 2d1gA1 LYS 80 HD2 0.00 0.02 0.01 -0.04 1.69 1.68 2d1gA1 LYS 80 HD3 0.00 -0.01 -0.02 -0.04 1.68 1.60 2d1gA1 LYS 80 HE2 0.00 0.00 -0.02 -0.04 2.99 2.94 2d1gA1 LYS 80 HE3 0.00 0.01 -0.04 -0.04 2.99 2.92 2d1gA1 GLN 81 H -0.01 0.07 -0.20 -0.55 8.47 7.77 2d1gA1 GLN 81 HA -0.00 0.10 0.34 -0.75 4.36 4.05 2d1gA1 GLN 81 HB2 -0.02 -0.04 0.03 -0.04 2.15 2.09 2d1gA1 GLN 81 HB3 -0.00 0.12 -0.03 -0.04 2.02 2.06 2d1gA1 GLN 81 HG2 -0.00 0.07 0.00 -0.04 2.40 2.43 2d1gA1 GLN 81 HG3 -0.00 0.01 -0.02 -0.04 2.39 2.33 2d1gA1 GLN 81 HE21 -0.01 0.01 0.02 -0.04 6.97 6.95 2d1gA1 GLN 81 HE22 -0.01 0.04 0.01 -0.04 7.69 7.69 2d1gA1 LEU 82 H -0.03 0.01 -0.18 -0.55 8.37 7.62 2d1gA1 LEU 82 HA 0.01 0.14 0.45 -0.75 4.35 4.20 2d1gA1 LEU 82 HB2 -0.06 -0.09 0.13 -0.04 1.64 1.58 2d1gA1 LEU 82 HB3 0.04 0.04 0.04 -0.04 1.64 1.72 2d1gA1 LEU 82 HG -0.07 -0.07 0.04 -0.04 1.64 1.51 2d1gA1 LEU 82 HD13 -0.44 -0.04 0.09 -0.04 0.93 0.49 2d1gA1 LEU 82 HD23 0.07 0.03 0.05 -0.04 0.89 1.00 2d1gA1 LEU 83 H -0.00 0.45 -0.35 -0.55 8.37 7.92 2d1gA1 LEU 83 HA 0.05 0.09 0.50 -0.75 4.35 4.24 2d1gA1 LEU 83 HB2 0.02 0.04 0.06 -0.04 1.64 1.71 2d1gA1 LEU 83 HB3 0.05 -0.02 -0.06 -0.04 1.64 1.58 2d1gA1 LEU 83 HG -0.03 -0.03 -0.26 -0.04 1.64 1.28 2d1gA1 LEU 83 HD13 -0.02 -0.02 -0.18 -0.04 0.93 0.67 2d1gA1 LEU 83 HD23 -0.02 -0.01 -0.13 -0.04 0.89 0.69 2d1gA1 GLU 84 H 0.01 0.27 -0.13 -0.55 8.60 8.21 2d1gA1 GLU 84 HA 0.02 0.19 0.77 -0.75 4.29 4.51 2d1gA1 GLU 84 HB2 0.01 0.01 0.03 -0.04 2.09 2.10 2d1gA1 GLU 84 HB3 0.01 -0.05 0.04 -0.04 1.99 1.95 2d1gA1 GLU 84 HG2 0.02 0.01 -0.07 -0.04 2.34 2.25 2d1gA1 GLU 84 HG3 0.02 0.08 0.00 -0.04 2.34 2.40 2d1gA1 ASN 85 H 0.01 0.43 -0.10 -0.55 8.53 8.32 2d1gA1 ASN 85 HA 0.00 0.16 0.75 -0.75 4.76 4.91 2d1gA1 ASN 85 HB2 0.00 -0.00 0.13 -0.04 2.88 2.97 2d1gA1 ASN 85 HB3 0.00 -0.02 0.14 -0.04 2.79 2.88 2d1gA1 ASN 85 HD21 0.00 -0.06 -0.04 -0.04 7.03 6.90 2d1gA1 ASN 85 HD22 0.00 0.03 0.03 -0.04 7.74 7.76 2d1gA1 ASN 86 H -0.01 0.10 -0.22 -0.55 8.53 7.86 2d1gA1 ASN 86 HA 0.00 0.05 0.54 -0.75 4.76 4.59 2d1gA1 ASN 86 HB2 -0.04 0.24 0.18 -0.04 2.88 3.21 2d1gA1 ASN 86 HB3 -0.06 -0.00 -0.02 -0.04 2.79 2.66 2d1gA1 ASN 86 HD21 -0.08 -0.12 0.08 -0.04 7.03 6.87 2d1gA1 ASN 86 HD22 -0.00 0.37 0.22 -0.04 7.74 8.28 2d1gA1 PRO 87 HA 0.02 0.08 0.50 -0.51 4.44 4.53 2d1gA1 PRO 87 HB2 0.07 0.02 -0.09 -0.04 2.28 2.25 2d1gA1 PRO 87 HB3 0.04 -0.01 0.12 -0.04 2.02 2.12 2d1gA1 PRO 87 HG2 0.08 0.11 0.11 -0.04 2.03 2.29 2d1gA1 PRO 87 HG3 0.04 0.00 0.12 -0.04 2.03 2.15 2d1gA1 PRO 87 HD2 0.04 0.05 0.26 -0.04 3.68 3.98 2d1gA1 PRO 87 HD3 0.03 0.12 0.28 -0.04 3.65 4.04 2d1gA1 ASN 88 H -0.04 0.04 -0.26 -0.55 8.53 7.72 2d1gA1 ASN 88 HA 0.05 0.23 0.64 -0.75 4.76 4.92 2d1gA1 ASN 88 HB2 -0.14 0.22 0.06 -0.04 2.88 2.98 2d1gA1 ASN 88 HB3 0.01 -0.25 0.10 -0.04 2.79 2.62 2d1gA1 ASN 88 HD21 0.15 0.28 0.13 -0.04 7.03 7.55 2d1gA1 ASN 88 HD22 -0.30 0.02 0.09 -0.04 7.74 7.51 2d1gA1 THR 89 H 0.03 -0.01 0.15 -0.55 8.28 7.90 2d1gA1 THR 89 HA 0.00 0.19 0.42 -0.75 4.39 4.25 2d1gA1 THR 89 HB 0.00 0.02 0.12 -0.04 4.32 4.42 2d1gA1 THR 89 HG23 0.02 0.01 0.07 -0.04 1.22 1.28 2d1gA1 LYS 90 H -0.01 0.03 -0.37 -0.55 8.42 7.52 2d1gA1 LYS 90 HA -0.03 0.16 0.71 -0.75 4.32 4.41 2d1gA1 LYS 90 HB2 -0.01 -0.08 -0.13 -0.04 1.87 1.61 2d1gA1 LYS 90 HB3 0.01 -0.10 -0.04 -0.04 1.79 1.62 2d1gA1 LYS 90 HG2 -0.04 0.32 -0.10 -0.04 1.46 1.60 2d1gA1 LYS 90 HG3 -0.09 -0.01 0.04 -0.04 1.46 1.36 2d1gA1 LYS 90 HD2 -0.06 -0.14 -0.02 -0.04 1.69 1.43 2d1gA1 LYS 90 HD3 0.01 0.04 -0.03 -0.04 1.68 1.66 2d1gA1 LYS 90 HE2 -0.48 -0.01 -0.04 -0.04 2.99 2.41 2d1gA1 LYS 90 HE3 -0.58 0.09 -0.06 -0.04 2.99 2.40 2d1gA1 ASN 91 H -0.01 0.10 0.04 -0.55 8.53 8.11 2d1gA1 ASN 91 HA -0.04 0.07 0.59 -0.75 4.76 4.63 2d1gA1 ASN 91 HB2 0.02 -0.12 0.09 -0.04 2.88 2.84 2d1gA1 ASN 91 HB3 0.05 0.35 0.11 -0.04 2.79 3.25 2d1gA1 ASN 91 HD21 0.00 0.13 -0.04 -0.04 7.03 7.08 2d1gA1 ASN 91 HD22 0.01 -0.07 0.05 -0.04 7.74 7.70 2d1gA1 PRO 92 HA 0.16 0.29 0.56 -0.51 4.44 4.95 2d1gA1 PRO 92 HB2 0.23 -0.04 -0.02 -0.04 2.28 2.41 2d1gA1 PRO 92 HB3 0.31 0.02 0.04 -0.04 2.02 2.36 2d1gA1 PRO 92 HG2 0.10 -0.01 -0.05 -0.04 2.03 2.03 2d1gA1 PRO 92 HG3 -0.03 -0.03 0.07 -0.04 2.03 1.99 2d1gA1 PRO 92 HD2 0.02 0.22 0.32 -0.04 3.68 4.20 2d1gA1 PRO 92 HD3 -0.12 0.05 0.26 -0.04 3.65 3.80 2d1gA1 TYR 93 H -0.08 0.41 0.21 -0.55 8.29 8.28 2d1gA1 TYR 93 HA -0.03 0.09 0.59 -0.75 4.56 4.46 2d1gA1 TYR 93 HB2 -0.11 -0.05 0.05 -0.04 3.06 2.91 2d1gA1 TYR 93 HB3 -0.05 0.17 -0.24 -0.04 2.98 2.82 2d1gA1 TYR 93 HD2 -0.11 0.12 -0.20 -0.04 7.15 6.92 2d1gA1 TYR 93 HE2 -0.12 0.08 -0.15 -0.04 6.85 6.62 2d1gA1 ARG 94 H -0.22 0.13 0.12 -0.55 8.46 7.94 2d1gA1 ARG 94 HA -1.31 0.23 0.63 -0.75 4.34 3.13 2d1gA1 ARG 94 HB2 -0.16 -0.00 0.07 -0.04 1.90 1.77 2d1gA1 ARG 94 HB3 -0.13 -0.04 0.13 -0.04 1.80 1.72 2d1gA1 ARG 94 HG2 -0.13 0.19 -0.23 -0.04 1.67 1.45 2d1gA1 ARG 94 HG3 -0.09 -0.02 0.02 -0.04 1.67 1.54 2d1gA1 ARG 94 HD2 0.06 0.01 -0.00 -0.04 3.22 3.25 2d1gA1 ARG 94 HD3 -0.01 0.00 -0.03 -0.04 3.22 3.14 2d1gA1 LEU 95 H -0.60 0.75 0.43 -0.55 8.37 8.41 2d1gA1 LEU 95 HA -0.22 0.07 0.70 -0.75 4.35 4.14 2d1gA1 LEU 95 HB2 -0.90 -0.01 -0.06 -0.04 1.64 0.62 2d1gA1 LEU 95 HB3 -0.09 0.06 -0.00 -0.04 1.64 1.57 2d1gA1 LEU 95 HG -0.71 -0.02 0.06 -0.04 1.64 0.92 2d1gA1 LEU 95 HD13 -0.59 0.01 -0.12 -0.04 0.93 0.20 2d1gA1 LEU 95 HD23 -0.13 0.01 -0.00 -0.04 0.89 0.72 2d1gA1 ASP 96 H 0.09 0.15 0.16 -0.55 8.40 8.25 2d1gA1 ASP 96 HA 0.09 0.11 0.66 -0.75 4.63 4.74 2d1gA1 ASP 96 HB2 0.03 0.10 0.08 -0.04 2.71 2.88 2d1gA1 ASP 96 HB3 0.18 -0.02 0.04 -0.04 2.70 2.85 2d1gA1 ARG 97 H 0.11 0.18 0.16 -0.55 8.46 8.35 2d1gA1 ARG 97 HA 0.09 0.05 0.51 -0.75 4.34 4.23 2d1gA1 ARG 97 HB2 0.04 -0.01 0.18 -0.04 1.90 2.06 2d1gA1 ARG 97 HB3 0.07 0.03 0.02 -0.04 1.80 1.88 2d1gA1 ARG 97 HG2 0.01 -0.03 0.07 -0.04 1.67 1.67 2d1gA1 ARG 97 HG3 -0.04 -0.04 0.20 -0.04 1.67 1.75 2d1gA1 ARG 97 HD2 -0.03 0.05 0.13 -0.04 3.22 3.34 2d1gA1 ARG 97 HD3 -0.00 -0.05 0.07 -0.04 3.22 3.20 2d1gA1 ASN 98 H 0.23 -0.01 -0.40 -0.55 8.53 7.81 2d1gA1 ASN 98 HA 0.28 0.15 0.05 -0.75 4.76 4.49 2d1gA1 ASN 98 HB2 0.16 0.04 0.11 -0.04 2.88 3.14 2d1gA1 ASN 98 HB3 0.12 -0.03 0.02 -0.04 2.79 2.87 2d1gA1 ASN 98 HD21 0.06 0.01 -0.03 -0.04 7.03 7.03 2d1gA1 ASN 98 HD22 0.08 0.02 -0.00 -0.04 7.74 7.79 2d1gA1 PHE 99 H 0.25 0.31 -0.24 -0.55 8.34 8.12 2d1gA1 PHE 99 HA -0.24 0.17 0.88 -0.75 4.62 4.67 2d1gA1 PHE 99 HB2 -0.12 0.04 0.05 -0.04 3.15 3.08 2d1gA1 PHE 99 HB3 -0.03 -0.07 -0.18 -0.04 3.06 2.74 2d1gA1 PHE 99 HD2 -0.05 0.01 -0.09 -0.04 7.28 7.11 2d1gA1 PHE 99 HE2 -0.04 -0.03 -0.01 -0.04 7.38 7.26 2d1gA1 PHE 99 HZ -0.07 -0.02 -0.01 -0.04 7.32 7.18 2d1gA1 GLN 100 H -0.73 0.14 0.11 -0.55 8.47 7.45 2d1gA1 GLN 100 HA -0.99 0.09 0.60 -0.75 4.36 3.31 2d1gA1 GLN 100 HB2 -0.66 -0.06 0.09 -0.04 2.15 1.48 2d1gA1 GLN 100 HB3 -0.32 -0.03 0.18 -0.04 2.02 1.81 2d1gA1 GLN 100 HG2 -0.04 -0.01 0.00 -0.04 2.40 2.30 2d1gA1 GLN 100 HG3 -0.13 0.01 -0.23 -0.04 2.39 2.00 2d1gA1 GLN 100 HE21 -0.01 0.50 -0.09 -0.04 6.97 7.32 2d1gA1 GLN 100 HE22 -0.09 0.31 -0.03 -0.04 7.69 7.84 2d1gA1 PRO 101 HA -0.39 0.03 0.43 -0.51 4.44 3.99 2d1gA1 PRO 101 HB2 -0.02 0.11 0.04 -0.04 2.28 2.37 2d1gA1 PRO 101 HB3 -0.12 0.02 0.13 -0.04 2.02 2.02 2d1gA1 PRO 101 HG2 -0.08 0.04 0.15 -0.04 2.03 2.10 2d1gA1 PRO 101 HG3 -0.03 -0.04 0.15 -0.04 2.03 2.07 2d1gA1 PRO 101 HD2 -0.28 0.02 0.32 -0.04 3.68 3.70 2d1gA1 PRO 101 HD3 -0.48 0.30 0.34 -0.04 3.65 3.78 2d1gA1 CYS 102 H 0.10 0.11 0.19 -0.55 8.50 8.35 2d1gA1 CYS 102 HA 0.07 0.10 0.69 -0.75 4.58 4.69 2d1gA1 CYS 102 HB2 0.10 -0.02 0.01 -0.04 2.97 3.01 2d1gA1 CYS 102 HB3 0.17 0.03 -0.01 -0.04 2.97 3.13 2d1gA1 SER 103 H 0.21 0.15 0.03 -0.55 8.46 8.31 2d1gA1 SER 103 HA 0.15 0.11 0.87 -0.75 4.49 4.88 2d1gA1 SER 103 HB2 0.32 0.08 -0.23 -0.04 3.95 4.08 2d1gA1 SER 103 HB3 0.33 -0.03 0.01 -0.04 3.93 4.20 2d1gA1 GLN 104 H 0.21 0.10 0.06 -0.55 8.47 8.30 2d1gA1 GLN 104 HA 0.24 0.02 0.49 -0.75 4.36 4.36 2d1gA1 GLN 104 HB2 0.17 -0.07 -0.07 -0.04 2.15 2.14 2d1gA1 GLN 104 HB3 0.15 0.18 0.01 -0.04 2.02 2.32 2d1gA1 GLN 104 HG2 0.20 -0.05 -0.17 -0.04 2.40 2.34 2d1gA1 GLN 104 HG3 0.26 0.01 -0.12 -0.04 2.39 2.50 2d1gA1 GLN 104 HE21 0.14 0.08 -0.16 -0.04 6.97 6.99 2d1gA1 GLN 104 HE22 0.13 0.03 -0.14 -0.04 7.69 7.68 2d1gA1 ASN 105 H -0.18 0.82 0.17 -0.55 8.53 8.80 2d1gA1 ASN 105 HA -0.18 -0.04 0.64 -0.75 4.76 4.43 2d1gA1 ASN 105 HB2 -0.82 0.10 -0.14 -0.04 2.88 1.97 2d1gA1 ASN 105 HB3 -0.21 0.21 0.14 -0.04 2.79 2.89 2d1gA1 ASN 105 HD21 -0.02 -0.10 0.03 -0.04 7.03 6.90 2d1gA1 ASN 105 HD22 -0.22 0.09 0.05 -0.04 7.74 7.62 2d1gA1 HIS 106 H -0.48 0.15 0.05 -0.55 8.41 7.59 2d1gA1 HIS 106 HA 0.07 0.22 0.60 -0.75 4.63 4.75 2d1gA1 HIS 106 HB2 0.09 -0.01 -0.07 -0.04 3.26 3.23 2d1gA1 HIS 106 HB3 0.07 -0.24 -0.53 -0.04 3.20 2.46 2d1gA1 HIS 106 HD2 0.15 -0.16 -0.02 -0.04 6.97 6.89 2d1gA1 HIS 106 HE1 0.19 0.07 -0.02 -0.04 7.75 7.95 2d1gA1 GLU 107 H -0.04 0.12 -0.24 -0.55 8.60 7.90 2d1gA1 GLU 107 HA 0.05 0.13 0.57 -0.75 4.29 4.29 2d1gA1 GLU 107 HB2 0.02 0.00 0.07 -0.04 2.09 2.15 2d1gA1 GLU 107 HB3 0.07 -0.05 0.07 -0.04 1.99 2.03 2d1gA1 GLU 107 HG2 0.02 0.05 0.08 -0.04 2.34 2.45 2d1gA1 GLU 107 HG3 -0.03 -0.03 0.05 -0.04 2.34 2.28 2d1gA1 TYR 108 H 0.16 0.30 0.24 -0.55 8.29 8.45 2d1gA1 TYR 108 HA -0.00 0.04 0.31 -0.75 4.56 4.15 2d1gA1 TYR 108 HB2 -0.06 0.36 0.23 -0.04 3.06 3.55 2d1gA1 TYR 108 HB3 -0.20 -0.13 0.17 -0.04 2.98 2.78 2d1gA1 TYR 108 HD2 -0.63 0.10 -0.14 -0.04 7.15 6.43 2d1gA1 TYR 108 HE2 -0.15 0.06 -0.10 -0.04 6.85 6.62 2d1gA1 HIS 109 H 0.11 0.13 -0.07 -0.55 8.41 8.04 2d1gA1 HIS 109 HA -0.20 0.11 0.42 -0.75 4.63 4.20 2d1gA1 HIS 109 HB2 0.02 -0.01 0.06 -0.04 3.26 3.30 2d1gA1 HIS 109 HB3 -0.05 0.05 -0.01 -0.04 3.20 3.15 2d1gA1 HIS 109 HD2 0.09 0.03 0.01 -0.04 6.97 7.05 2d1gA1 HIS 109 HE1 0.14 0.00 -0.03 -0.04 7.75 7.83 2d1gA1 GLN 110 H 0.03 0.04 -0.31 -0.55 8.47 7.69 2d1gA1 GLN 110 HA -0.06 0.06 0.40 -0.75 4.36 4.00 2d1gA1 GLN 110 HB2 0.00 -0.07 0.05 -0.04 2.15 2.09 2d1gA1 GLN 110 HB3 0.02 0.35 0.08 -0.04 2.02 2.43 2d1gA1 GLN 110 HG2 0.05 -0.14 0.02 -0.04 2.40 2.28 2d1gA1 GLN 110 HG3 0.01 0.03 0.05 -0.04 2.39 2.44 2d1gA1 GLN 110 HE21 0.11 0.03 -0.01 -0.04 6.97 7.07 2d1gA1 GLN 110 HE22 0.05 -0.06 -0.01 -0.04 7.69 7.63 2d1gA1 GLU 111 H -0.06 0.54 -0.22 -0.55 8.60 8.31 2d1gA1 GLU 111 HA -0.08 0.08 0.42 -0.75 4.29 3.95 2d1gA1 GLU 111 HB2 -0.01 0.13 0.12 -0.04 2.09 2.29 2d1gA1 GLU 111 HB3 0.07 -0.04 -0.01 -0.04 1.99 1.96 2d1gA1 GLU 111 HG2 0.10 0.04 0.05 -0.04 2.34 2.49 2d1gA1 GLU 111 HG3 0.08 0.12 -0.14 -0.04 2.34 2.35 2d1gA1 ILE 112 H -0.45 0.39 -0.19 -0.55 8.25 7.44 2d1gA1 ILE 112 HA -0.86 0.04 0.48 -0.75 4.18 3.08 2d1gA1 ILE 112 HB -0.44 0.10 0.13 -0.04 1.89 1.64 2d1gA1 ILE 112 HG12 -2.08 -0.00 -0.01 -0.04 1.49 -0.65 2d1gA1 ILE 112 HG13 -1.40 0.09 0.07 -0.04 1.21 -0.07 2d1gA1 ILE 112 HG23 -0.36 -0.01 -0.09 -0.04 0.93 0.42 2d1gA1 ILE 112 HD13 -0.90 -0.03 -0.08 -0.04 0.88 -0.17 2d1gA1 SER 113 H -0.29 0.48 -0.21 -0.55 8.46 7.90 2d1gA1 SER 113 HA -0.27 -0.02 0.46 -0.75 4.49 3.91 2d1gA1 SER 113 HB2 -0.67 0.14 0.17 -0.04 3.95 3.54 2d1gA1 SER 113 HB3 -1.38 -0.03 0.02 -0.04 3.93 2.50 2d1gA1 SER 114 H -0.22 0.51 -0.19 -0.55 8.46 8.01 2d1gA1 SER 114 HA -0.12 -0.02 0.19 -0.75 4.49 3.79 2d1gA1 SER 114 HB2 -0.44 0.19 0.06 -0.04 3.95 3.73 2d1gA1 SER 114 HB3 -1.75 -0.10 -0.19 -0.04 3.93 1.84 2d1gA1 PHE 115 H 0.12 0.48 -0.23 -0.55 8.34 8.16 2d1gA1 PHE 115 HA 0.11 0.04 0.39 -0.75 4.62 4.40 2d1gA1 PHE 115 HB2 0.04 0.19 0.16 -0.04 3.15 3.49 2d1gA1 PHE 115 HB3 0.26 -0.12 -0.01 -0.04 3.06 3.14 2d1gA1 PHE 115 HD2 0.23 -0.05 -0.05 -0.04 7.28 7.38 2d1gA1 PHE 115 HE2 0.29 -0.02 -0.01 -0.04 7.38 7.60 2d1gA1 PHE 115 HZ 0.18 -0.11 -0.03 -0.04 7.32 7.33 2d1gA1 ASN 116 H 0.02 0.41 -0.36 -0.55 8.53 8.05 2d1gA1 ASN 116 HA -0.02 0.07 0.31 -0.75 4.76 4.37 2d1gA1 ASN 116 HB2 0.02 0.21 -0.10 -0.04 2.88 2.97 2d1gA1 ASN 116 HB3 0.03 -0.14 -0.13 -0.04 2.79 2.50 2d1gA1 ASN 116 HD21 0.02 0.02 -0.01 -0.04 7.03 7.02 2d1gA1 ASN 116 HD22 0.03 -0.05 -0.04 -0.04 7.74 7.64 2d1gA1 GLY 117 H 0.06 0.15 -0.12 -0.55 8.43 7.97 2d1gA1 GLY 117 HA2 0.07 0.02 0.27 -0.51 4.01 3.86 2d1gA1 GLY 117 HA3 -0.01 0.06 0.29 -0.51 4.01 3.84 2d1gA1 GLY 118 H -0.26 0.29 -0.41 -0.55 8.43 7.51 2d1gA1 GLY 118 HA2 -2.00 -0.03 0.30 -0.51 4.01 1.77 2d1gA1 GLY 118 HA3 -0.90 0.18 0.76 -0.51 4.01 3.53 2d1gA1 LEU 119 H -0.14 0.40 -0.16 -0.55 8.37 7.92 2d1gA1 LEU 119 HA -0.06 0.09 0.61 -0.75 4.35 4.24 2d1gA1 LEU 119 HB2 -0.01 0.03 0.10 -0.04 1.64 1.72 2d1gA1 LEU 119 HB3 0.01 -0.03 0.04 -0.04 1.64 1.62 2d1gA1 LEU 119 HG -0.05 0.08 0.03 -0.04 1.64 1.67 2d1gA1 LEU 119 HD13 -0.00 -0.02 0.01 -0.04 0.93 0.88 2d1gA1 LEU 119 HD23 -0.03 -0.00 -0.02 -0.04 0.89 0.80 2d1gA1 MET 120 H -0.02 0.54 -0.10 -0.55 8.47 8.34 2d1gA1 MET 120 HA 0.24 -0.03 0.28 -0.75 4.52 4.26 2d1gA1 MET 120 HB2 0.12 0.16 -0.13 -0.04 2.15 2.26 2d1gA1 MET 120 HB3 0.25 -0.05 0.13 -0.04 2.03 2.31 2d1gA1 MET 120 HG2 -0.13 0.11 -0.33 -0.04 2.63 2.24 2d1gA1 MET 120 HG3 -0.02 0.14 -0.09 -0.04 2.56 2.54 2d1gA1 MET 120 HE3 -0.48 -0.00 -0.32 -0.04 2.10 1.26 2d1gA1 ASN 121 H 0.15 0.10 -0.21 -0.55 8.53 8.02 2d1gA1 ASN 121 HA 0.21 0.14 0.65 -0.75 4.76 5.00 2d1gA1 ASN 121 HB2 0.07 0.24 -0.10 -0.04 2.88 3.06 2d1gA1 ASN 121 HB3 0.08 0.25 -0.29 -0.04 2.79 2.79 2d1gA1 ASN 121 HD21 0.03 -0.05 -0.04 -0.04 7.03 6.92 2d1gA1 ASN 121 HD22 0.04 0.10 -0.01 -0.04 7.74 7.83 2d1gA1 LYS 122 H 0.17 0.49 0.05 -0.55 8.42 8.57 2d1gA1 LYS 122 HA 0.13 0.16 0.93 -0.75 4.32 4.78 2d1gA1 LYS 122 HB2 0.11 0.25 0.14 -0.04 1.87 2.33 2d1gA1 LYS 122 HB3 0.29 -0.10 0.14 -0.04 1.79 2.08 2d1gA1 LYS 122 HG2 0.08 -0.07 -0.31 -0.04 1.46 1.12 2d1gA1 LYS 122 HG3 0.09 0.04 -0.03 -0.04 1.46 1.52 2d1gA1 LYS 122 HD2 0.09 -0.08 0.02 -0.04 1.69 1.68 2d1gA1 LYS 122 HD3 0.07 0.17 -0.03 -0.04 1.68 1.86 2d1gA1 LYS 122 HE2 0.05 0.05 -0.06 -0.04 2.99 2.98 2d1gA1 LYS 122 HE3 0.06 -0.02 -0.03 -0.04 2.99 2.96 2d1gA1 PHE 123 H 0.47 0.25 -0.15 -0.55 8.34 8.36 2d1gA1 PHE 123 HA 0.18 0.11 0.43 -0.75 4.62 4.60 2d1gA1 PHE 123 HB2 0.13 0.03 0.01 -0.04 3.15 3.27 2d1gA1 PHE 123 HB3 0.19 0.04 -0.10 -0.04 3.06 3.14 2d1gA1 PHE 123 HD2 0.25 0.08 -0.19 -0.04 7.28 7.37 2d1gA1 PHE 123 HE2 0.27 0.08 -0.17 -0.04 7.38 7.52 2d1gA1 PHE 123 HZ 0.21 0.07 -0.03 -0.04 7.32 7.53 2d1gA1 VAL 124 H 0.18 0.14 -0.11 -0.55 8.24 7.90 2d1gA1 VAL 124 HA 0.13 0.05 0.45 -0.75 4.13 4.01 2d1gA1 VAL 124 HB 0.06 -0.00 0.05 -0.04 2.12 2.19 2d1gA1 VAL 124 HG13 0.05 0.01 -0.09 -0.04 0.97 0.90 2d1gA1 VAL 124 HG23 0.07 0.01 -0.01 -0.04 0.95 0.98 2d1gA1 GLU 125 H 0.04 0.05 -0.40 -0.55 8.60 7.75 2d1gA1 GLU 125 HA -0.11 0.07 0.33 -0.75 4.29 3.83 2d1gA1 GLU 125 HB2 -0.10 0.09 0.09 -0.04 2.09 2.13 2d1gA1 GLU 125 HB3 -0.45 0.01 -0.01 -0.04 1.99 1.50 2d1gA1 GLU 125 HG2 -0.05 0.04 0.02 -0.04 2.34 2.30 2d1gA1 GLU 125 HG3 -0.06 -0.00 -0.02 -0.04 2.34 2.22 2d1gA1 HIS 126 H 0.04 0.27 -0.14 -0.55 8.41 8.03 2d1gA1 HIS 126 HA -0.05 0.20 0.91 -0.75 4.63 4.93 2d1gA1 HIS 126 HB2 -0.09 0.03 -0.02 -0.04 3.26 3.15 2d1gA1 HIS 126 HB3 -0.07 -0.02 0.12 -0.04 3.20 3.18 2d1gA1 HIS 126 HD2 -0.03 0.10 -0.13 -0.04 6.97 6.86 2d1gA1 HIS 126 HE1 -0.03 -0.02 -0.05 -0.04 7.75 7.61 2d1gA1 GLY 127 H 0.08 0.51 0.07 -0.55 8.43 8.54 2d1gA1 GLY 127 HA2 0.06 0.18 0.69 -0.51 4.01 4.43 2d1gA1 GLY 127 HA3 0.18 0.07 0.38 -0.51 4.01 4.12 2d1gA1 GLY 128 H -0.04 0.16 -0.26 -0.55 8.43 7.74 2d1gA1 GLY 128 HA2 -0.37 0.05 0.59 -0.51 4.01 3.77 2d1gA1 GLY 128 HA3 -0.17 0.06 0.24 -0.51 4.01 3.63 2d1gA1 HIS 129 H -1.63 0.15 0.10 -0.55 8.41 6.48 2d1gA1 HIS 129 HA -0.22 0.20 0.82 -0.75 4.63 4.68 2d1gA1 HIS 129 HB2 -0.43 -0.07 0.05 -0.04 3.26 2.77 2d1gA1 HIS 129 HB3 -0.11 -0.01 -0.07 -0.04 3.20 2.96 2d1gA1 HIS 129 HD2 -0.11 0.08 -0.04 -0.04 6.97 6.85 2d1gA1 HIS 129 HE1 -0.06 -0.09 -0.08 -0.04 7.75 7.48 2d1gA1 ASP 130 H 0.00 0.20 0.05 -0.55 8.40 8.10 2d1gA1 ASP 130 HA 0.03 0.10 0.62 -0.75 4.63 4.61 2d1gA1 ASP 130 HB2 0.01 -0.01 0.21 -0.04 2.71 2.88 2d1gA1 ASP 130 HB3 0.01 0.02 0.06 -0.04 2.70 2.75 2d1gA1 ASN 131 H 0.09 0.35 0.22 -0.55 8.53 8.64 2d1gA1 ASN 131 HA 0.06 0.14 0.60 -0.75 4.76 4.81 2d1gA1 ASN 131 HB2 0.08 0.04 -0.72 -0.04 2.88 2.24 2d1gA1 ASN 131 HB3 0.20 -0.03 -0.17 -0.04 2.79 2.75 2d1gA1 ASN 131 HD21 0.02 0.05 -0.04 -0.04 7.03 7.01 2d1gA1 ASN 131 HD22 0.02 0.07 -0.11 -0.04 7.74 7.68 2d1gA1 ASP 132 H 0.06 0.20 0.16 -0.55 8.40 8.27 2d1gA1 ASP 132 HA 0.06 0.11 0.11 -0.75 4.63 4.15 2d1gA1 THR 133 H 0.04 0.21 0.07 -0.55 8.28 8.04 2d1gA1 THR 133 HA 0.04 0.17 0.29 -0.75 4.39 4.14 2d1gA1 TYR 134 H 0.20 0.07 -0.53 -0.55 8.29 7.47 2d1gA1 TYR 134 HA 0.07 0.13 0.59 -0.75 4.56 4.59 2d1gA1 TYR 134 HB2 0.10 -0.03 0.01 -0.04 3.06 3.10 2d1gA1 TYR 134 HB3 0.10 0.24 0.11 -0.04 2.98 3.39 2d1gA1 TYR 134 HD2 0.14 0.10 -0.14 -0.04 7.15 7.20 2d1gA1 TYR 134 HE2 0.16 0.09 -0.13 -0.04 6.85 6.93 2d1gA1 LYS 135 H 0.20 0.63 -0.01 -0.55 8.42 8.69 2d1gA1 LYS 135 HA 0.13 -0.02 0.43 -0.75 4.32 4.11 2d1gA1 GLN 136 H 0.03 0.05 -0.10 -0.55 8.47 7.89 2d1gA1 GLN 136 HA -0.01 0.17 0.55 -0.75 4.36 4.31 2d1gA1 GLN 136 HB2 -0.00 0.05 0.09 -0.04 2.15 2.24 2d1gA1 GLN 136 HB3 0.01 0.02 0.06 -0.04 2.02 2.07 2d1gA1 ASN 137 H -0.05 0.20 -0.21 -0.55 8.53 7.93 2d1gA1 ASN 137 HA -0.04 0.19 0.83 -0.75 4.76 4.99 2d1gA1 ASN 137 HB2 -0.04 0.08 0.15 -0.04 2.88 3.02 2d1gA1 ASN 137 HB3 -0.02 -0.01 0.09 -0.04 2.79 2.82 2d1gA1 ASN 137 HD21 0.02 -0.08 0.03 -0.04 7.03 6.96 2d1gA1 ASN 137 HD22 0.02 0.00 0.03 -0.04 7.74 7.75 2d1gA1 CYS 138 H -0.24 0.42 0.01 -0.55 8.50 8.14 2d1gA1 CYS 138 HA -0.15 0.23 0.87 -0.75 4.58 4.79 2d1gA1 CYS 138 HB2 -1.86 0.05 0.02 -0.04 2.97 1.13 2d1gA1 CYS 138 HB3 -0.60 -0.10 0.05 -0.04 2.97 2.28 2d1gA1 ASP 139 H -0.14 0.21 -0.02 -0.55 8.40 7.90 2d1gA1 ASP 139 HA 0.03 -0.11 0.28 -0.75 4.63 4.07 2d1gA1 ASP 139 HB2 -0.03 0.37 0.24 -0.04 2.71 3.25 2d1gA1 ASP 139 HB3 -0.05 0.01 0.07 -0.04 2.70 2.69 2d1gA1 GLY 140 H 0.12 0.06 0.16 -0.55 8.43 8.22 2d1gA1 GLY 140 HA2 0.08 -0.04 0.34 -0.51 4.01 3.88 2d1gA1 GLY 140 HA3 -0.00 0.21 0.42 -0.51 4.01 4.12 2d1gA1 GLN 141 H 0.11 0.56 -0.14 -0.55 8.47 8.45 2d1gA1 GLN 141 HA 0.21 0.08 0.24 -0.75 4.36 4.14 2d1gA1 GLN 141 HB2 0.12 0.04 0.08 -0.04 2.15 2.35 2d1gA1 GLN 141 HB3 0.14 -0.02 0.07 -0.04 2.02 2.16 2d1gA1 GLN 141 HG2 0.17 -0.04 0.01 -0.04 2.40 2.50 2d1gA1 GLN 141 HG3 0.08 0.20 -0.07 -0.04 2.39 2.56 2d1gA1 GLN 141 HE21 0.27 0.07 0.11 -0.04 6.97 7.38 2d1gA1 GLN 141 HE22 0.02 0.08 0.03 -0.04 7.69 7.78 2d1gA1 VAL 142 H 0.21 0.02 -0.41 -0.55 8.24 7.52 2d1gA1 VAL 142 HA 0.18 0.08 0.41 -0.75 4.13 4.04 2d1gA1 VAL 142 HB 0.22 0.00 -0.12 -0.04 2.12 2.18 2d1gA1 VAL 142 HG13 0.19 0.01 -0.32 -0.04 0.97 0.81 2d1gA1 VAL 142 HG23 0.34 0.01 -0.02 -0.04 0.95 1.25 2d1gA1 MET 143 H 0.19 0.46 -0.31 -0.55 8.47 8.26 2d1gA1 MET 143 HA 0.08 0.07 0.62 -0.75 4.52 4.54 2d1gA1 MET 143 HB2 0.25 0.14 -0.06 -0.04 2.15 2.43 2d1gA1 MET 143 HB3 0.08 0.02 -0.18 -0.04 2.03 1.90 2d1gA1 MET 143 HG2 0.08 -0.16 -0.13 -0.04 2.63 2.39 2d1gA1 MET 143 HG3 0.00 0.15 -0.19 -0.04 2.56 2.48 2d1gA1 MET 143 HE3 -0.73 0.06 -0.03 -0.04 2.10 1.36 2d1gA1 GLY 144 H -0.03 0.28 -0.31 -0.55 8.43 7.83 2d1gA1 GLY 144 HA2 -1.02 0.18 0.50 -0.51 4.01 3.16 2d1gA1 GLY 144 HA3 -0.51 -0.03 0.31 -0.51 4.01 3.27 2d1gA1 TYR 145 H -0.78 0.57 0.46 -0.55 8.29 7.98 2d1gA1 TYR 145 HA -0.13 0.15 0.86 -0.75 4.56 4.68 2d1gA1 TYR 145 HB2 0.03 0.13 0.15 -0.04 3.06 3.33 2d1gA1 TYR 145 HB3 0.00 0.01 -0.05 -0.04 2.98 2.91 2d1gA1 TYR 145 HD2 -0.00 0.08 -0.32 -0.04 7.15 6.87 2d1gA1 TYR 145 HE2 0.03 0.03 -0.32 -0.04 6.85 6.54 2d1gA1 TYR 146 H 0.21 0.78 0.38 -0.55 8.29 9.10 2d1gA1 TYR 146 HA -0.09 0.14 0.97 -0.75 4.56 4.82 2d1gA1 TYR 146 HB2 -0.05 0.12 0.19 -0.04 3.06 3.28 2d1gA1 TYR 146 HB3 -0.25 -0.10 0.15 -0.04 2.98 2.73 2d1gA1 TYR 146 HD2 0.09 0.03 -0.05 -0.04 7.15 7.17 2d1gA1 TYR 146 HE2 0.04 0.12 -0.13 -0.04 6.85 6.84 2d1gA1 ASP 147 H -0.11 0.09 0.20 -0.55 8.40 8.03 2d1gA1 ASP 147 HA -0.68 0.36 0.66 -0.75 4.63 4.21 2d1gA1 ASP 147 HB2 -0.41 0.01 0.17 -0.04 2.71 2.43 2d1gA1 ASP 147 HB3 0.06 0.18 -0.01 -0.04 2.70 2.89 2d1gA1 GLY 148 H -2.07 0.24 0.00 -0.55 8.43 6.06 2d1gA1 GLY 148 HA2 -1.47 0.13 0.01 -0.51 4.01 2.18 2d1gA1 GLY 148 HA3 -0.99 0.12 0.20 -0.51 4.01 2.82 2d1gA1 ASN 149 H -0.39 -0.06 -0.50 -0.55 8.53 7.02 2d1gA1 ASN 149 HA -0.12 0.45 0.64 -0.75 4.76 4.98 2d1gA1 ASN 149 HB2 -0.11 -0.07 -0.00 -0.04 2.88 2.66 2d1gA1 ASN 149 HB3 -0.06 0.05 0.08 -0.04 2.79 2.82 2d1gA1 ASN 149 HD21 0.03 -0.12 -0.02 -0.04 7.03 6.87 2d1gA1 ASN 149 HD22 -0.02 0.72 -0.02 -0.04 7.74 8.39 2d1gA1 THR 150 H -0.40 0.41 -0.12 -0.55 8.28 7.62 2d1gA1 THR 150 HA -0.18 0.24 0.98 -0.75 4.39 4.67 2d1gA1 THR 150 HB -0.25 -0.01 0.17 -0.04 4.32 4.18 2d1gA1 THR 150 HG23 -0.46 0.01 -0.04 -0.04 1.22 0.68 2d1gA1 VAL 151 H -0.59 0.45 0.09 -0.55 8.24 7.64 2d1gA1 VAL 151 HA -0.41 0.13 0.62 -0.75 4.13 3.71 2d1gA1 VAL 151 HB -0.64 -0.09 0.11 -0.04 2.12 1.46 2d1gA1 VAL 151 HG13 -1.14 0.00 -0.02 -0.04 0.97 -0.22 2d1gA1 VAL 151 HG23 -0.89 0.05 -0.05 -0.04 0.95 0.01 2d1gA1 THR 152 H -0.24 0.46 -0.50 -0.55 8.28 7.45 2d1gA1 THR 152 HA -0.19 0.12 0.20 -0.75 4.39 3.76 2d1gA1 THR 152 HB -0.08 -0.02 0.09 -0.04 4.32 4.27 2d1gA1 THR 152 HG23 0.03 0.03 -0.22 -0.04 1.22 1.02 2d1gA1 ALA 153 H -0.10 0.11 -0.05 -0.55 8.40 7.81 2d1gA1 ALA 153 HA -0.20 0.24 0.47 -0.75 4.34 4.10 2d1gA1 ALA 153 HB3 -0.07 -0.01 0.03 -0.04 1.41 1.31 2d1gA1 LEU 154 H -0.02 0.07 -0.34 -0.55 8.37 7.54 2d1gA1 LEU 154 HA 0.44 0.04 0.30 -0.75 4.35 4.37 2d1gA1 LEU 154 HB2 -0.11 0.06 0.02 -0.04 1.64 1.58 2d1gA1 LEU 154 HB3 0.28 0.03 -0.09 -0.04 1.64 1.83 2d1gA1 LEU 154 HG 0.17 -0.07 -0.07 -0.04 1.64 1.64 2d1gA1 LEU 154 HD13 -0.00 0.00 -0.07 -0.04 0.93 0.82 2d1gA1 LEU 154 HD23 0.41 0.01 -0.09 -0.04 0.89 1.18 2d1gA1 TRP 155 H 0.18 0.50 -0.21 -0.55 7.97 7.90 2d1gA1 TRP 155 HA 0.19 0.02 0.42 -0.75 4.62 4.49 2d1gA1 TRP 155 HB2 -0.34 0.14 0.09 -0.04 3.23 3.09 2d1gA1 TRP 155 HB3 -0.69 -0.02 -0.06 -0.04 3.23 2.42 2d1gA1 TRP 155 HD1 -0.80 -0.10 -0.17 -0.04 7.22 6.11 2d1gA1 TRP 155 HE1 -0.74 0.68 0.16 -0.04 10.20 10.26 2d1gA1 TRP 155 HE3 -2.08 0.11 -0.13 -0.04 7.59 5.44 2d1gA1 TRP 155 HZ2 -0.09 0.07 -0.13 -0.04 7.44 7.25 2d1gA1 TRP 155 HZ3 -0.20 0.05 -0.66 -0.04 7.13 6.27 2d1gA1 TRP 155 HH2 -0.06 0.36 -0.44 -0.04 7.19 7.00 2d1gA1 ASN 156 H 0.21 0.59 -0.13 -0.55 8.53 8.65 2d1gA1 ASN 156 HA 0.35 0.02 0.53 -0.75 4.76 4.91 2d1gA1 ASN 156 HB2 -0.03 0.11 0.14 -0.04 2.88 3.07 2d1gA1 ASN 156 HB3 0.03 -0.06 -0.02 -0.04 2.79 2.70 2d1gA1 ASN 156 HD21 0.14 -0.08 -0.02 -0.04 7.03 7.03 2d1gA1 ASN 156 HD22 0.04 0.39 0.03 -0.04 7.74 8.16 2d1gA1 TYR 157 H 0.03 0.63 -0.10 -0.55 8.29 8.31 2d1gA1 TYR 157 HA 0.41 0.05 0.49 -0.75 4.56 4.75 2d1gA1 TYR 157 HB2 0.21 0.07 0.08 -0.04 3.06 3.37 2d1gA1 TYR 157 HB3 0.18 -0.04 -0.07 -0.04 2.98 3.01 2d1gA1 TYR 157 HD2 0.19 -0.03 -0.14 -0.04 7.15 7.14 2d1gA1 TYR 157 HE2 0.03 -0.01 -0.15 -0.04 6.85 6.68 2d1gA1 ALA 158 H 0.35 0.51 -0.18 -0.55 8.40 8.52 2d1gA1 ALA 158 HA 0.11 0.03 0.24 -0.75 4.34 3.97 2d1gA1 ALA 158 HB3 -0.11 0.02 0.02 -0.04 1.41 1.29 2d1gA1 GLN 159 H 0.33 0.40 -0.27 -0.55 8.47 8.38 2d1gA1 GLN 159 HA 0.21 0.03 0.46 -0.75 4.36 4.31 2d1gA1 GLN 159 HB2 0.24 0.11 0.14 -0.04 2.15 2.60 2d1gA1 GLN 159 HB3 0.12 -0.07 0.07 -0.04 2.02 2.10 2d1gA1 GLN 159 HG2 0.56 0.08 0.04 -0.04 2.40 3.04 2d1gA1 GLN 159 HG3 0.54 -0.06 -0.05 -0.04 2.39 2.78 2d1gA1 GLN 159 HE21 0.02 -0.02 0.08 -0.04 6.97 7.01 2d1gA1 GLN 159 HE22 0.27 0.05 -0.03 -0.04 7.69 7.94 2d1gA1 ASN 160 H 0.16 0.30 -0.50 -0.55 8.53 7.95 2d1gA1 ASN 160 HA -0.15 0.15 0.93 -0.75 4.76 4.94 2d1gA1 ASN 160 HB2 -0.05 0.05 0.05 -0.04 2.88 2.89 2d1gA1 ASN 160 HB3 -0.51 -0.01 0.07 -0.04 2.79 2.30 2d1gA1 ASN 160 HD21 0.04 -0.12 -0.08 -0.04 7.03 6.83 2d1gA1 ASN 160 HD22 0.10 0.54 0.01 -0.04 7.74 8.34 2d1gA1 PHE 161 H 0.16 0.27 0.04 -0.55 8.34 8.25 2d1gA1 PHE 161 HA 0.07 0.21 0.77 -0.75 4.62 4.91 2d1gA1 PHE 161 HB2 0.11 0.04 0.12 -0.04 3.15 3.38 2d1gA1 PHE 161 HB3 0.05 0.13 0.46 -0.04 3.06 3.66 2d1gA1 PHE 161 HD2 0.21 0.06 0.10 -0.04 7.28 7.62 2d1gA1 PHE 161 HE2 0.34 0.01 -0.12 -0.04 7.38 7.56 2d1gA1 PHE 161 HZ 0.17 -0.08 -0.02 -0.04 7.32 7.35 2d1gA1 ALA 162 H 0.18 0.42 0.40 -0.55 8.40 8.86 2d1gA1 ALA 162 HA 0.07 0.31 1.15 -0.75 4.34 5.12 2d1gA1 ALA 162 HB3 -0.04 -0.01 0.18 -0.04 1.41 1.50 2d1gA1 LEU 163 H -0.06 0.71 0.50 -0.55 8.37 8.97 2d1gA1 LEU 163 HA -0.15 0.19 1.09 -0.75 4.35 4.72 2d1gA1 LEU 163 HB2 -0.31 -0.01 -0.04 -0.04 1.64 1.24 2d1gA1 LEU 163 HB3 -0.24 0.06 0.10 -0.04 1.64 1.52 2d1gA1 LEU 163 HG -0.23 -0.04 -0.33 -0.04 1.64 0.99 2d1gA1 LEU 163 HD13 -0.81 0.05 0.03 -0.04 0.93 0.15 2d1gA1 LEU 163 HD23 -0.70 -0.01 -0.13 -0.04 0.89 0.02 2d1gA1 ASN 164 H -0.12 0.71 0.37 -0.55 8.53 8.94 2d1gA1 ASN 164 HA -0.15 0.40 1.11 -0.75 4.76 5.37 2d1gA1 ASN 164 HB2 -0.10 -0.02 -0.06 -0.04 2.88 2.67 2d1gA1 ASN 164 HB3 -0.09 -0.06 0.08 -0.04 2.79 2.68 2d1gA1 ASN 164 HD21 -0.05 0.43 -0.21 -0.04 7.03 7.17 2d1gA1 ASN 164 HD22 -0.07 -0.11 -0.16 -0.04 7.74 7.36 2d1gA1 ASP 165 H -0.16 0.47 0.15 -0.55 8.40 8.31 2d1gA1 ASP 165 HA -0.74 0.17 0.84 -0.75 4.63 4.14 2d1gA1 ASP 165 HB2 -0.81 0.01 0.16 -0.04 2.71 2.03 2d1gA1 ASP 165 HB3 -0.19 0.04 -0.03 -0.04 2.70 2.48 2d1gA1 ASN 166 H -0.23 0.13 -0.29 -0.55 8.53 7.59 2d1gA1 ASN 166 HA -0.34 0.14 0.68 -0.75 4.76 4.49 2d1gA1 ASN 166 HB2 -0.04 -0.06 -0.21 -0.04 2.88 2.53 2d1gA1 ASN 166 HB3 -0.01 0.28 -0.20 -0.04 2.79 2.81 2d1gA1 ASN 166 HD21 0.09 -0.07 0.02 -0.04 7.03 7.03 2d1gA1 ASN 166 HD22 0.06 0.26 -0.15 -0.04 7.74 7.87 2d1gA1 THR 167 H -0.46 0.20 -0.06 -0.55 8.28 7.41 2d1gA1 THR 167 HA -0.15 0.28 0.91 -0.75 4.39 4.67 2d1gA1 THR 167 HB -0.14 0.16 0.02 -0.04 4.32 4.32 2d1gA1 THR 167 HG23 -0.03 -0.02 -0.37 -0.04 1.22 0.75 2d1gA1 PHE 168 H -0.01 0.42 0.15 -0.55 8.34 8.35 2d1gA1 PHE 168 HA -0.04 0.13 0.89 -0.75 4.62 4.85 2d1gA1 PHE 168 HB2 -0.32 -0.05 -0.04 -0.04 3.15 2.70 2d1gA1 PHE 168 HB3 -0.06 0.29 -0.13 -0.04 3.06 3.12 2d1gA1 PHE 168 HD2 -0.09 0.19 -0.12 -0.04 7.28 7.22 2d1gA1 PHE 168 HE2 -0.06 0.02 -0.12 -0.04 7.38 7.18 2d1gA1 PHE 168 HZ -0.09 0.01 -0.09 -0.04 7.32 7.11 2d1gA1 GLY 169 H 0.10 0.61 -0.01 -0.55 8.43 8.58 2d1gA1 GLY 169 HA2 0.09 0.00 0.54 -0.51 4.01 4.13 2d1gA1 GLY 169 HA3 0.06 0.15 0.27 -0.51 4.01 3.98 2d1gA1 THR 170 H 0.10 0.12 0.20 -0.55 8.28 8.16 2d1gA1 THR 170 HA 0.28 0.04 0.40 -0.75 4.39 4.35 2d1gA1 THR 170 HB 0.11 0.06 0.09 -0.04 4.32 4.54 2d1gA1 THR 170 HG23 0.16 0.02 -0.06 -0.04 1.22 1.30 2d1gA1 THR 171 H 0.10 0.10 -0.12 -0.55 8.28 7.82 2d1gA1 THR 171 HA 0.09 0.25 0.80 -0.75 4.39 4.77 2d1gA1 THR 171 HB 0.26 0.07 0.07 -0.04 4.32 4.68 2d1gA1 THR 171 HG23 0.07 -0.01 -0.21 -0.04 1.22 1.04 2d1gA1 PHE 172 H 0.20 0.46 0.07 -0.55 8.34 8.51 2d1gA1 PHE 172 HA -0.06 0.00 0.72 -0.75 4.62 4.52 2d1gA1 PHE 172 HB2 -0.58 -0.01 0.02 -0.04 3.15 2.55 2d1gA1 PHE 172 HB3 -0.34 -0.01 0.11 -0.04 3.06 2.78 2d1gA1 PHE 172 HD2 -0.34 -0.00 -0.27 -0.04 7.28 6.63 2d1gA1 PHE 172 HE2 -1.01 0.02 -0.18 -0.04 7.38 6.17 2d1gA1 PHE 172 HZ -0.24 0.02 -0.06 -0.04 7.32 6.99 2d1gA1 GLY 173 H 0.17 0.05 0.11 -0.55 8.43 8.21 2d1gA1 GLY 173 HA2 0.19 -0.03 0.12 -0.51 4.01 3.78 2d1gA1 GLY 173 HA3 0.26 0.23 0.58 -0.51 4.01 4.58 2d1gA1 PRO 174 HA 0.28 0.03 0.39 -0.51 4.44 4.63 2d1gA1 PRO 174 HB2 0.33 -0.25 0.14 -0.04 2.28 2.47 2d1gA1 PRO 174 HB3 0.31 0.02 -0.03 -0.04 2.02 2.28 2d1gA1 PRO 174 HG2 0.14 0.03 -0.13 -0.04 2.03 2.03 2d1gA1 PRO 174 HG3 0.10 -0.06 0.10 -0.04 2.03 2.14 2d1gA1 PRO 174 HD2 0.14 0.30 0.14 -0.04 3.68 4.22 2d1gA1 PRO 174 HD3 0.15 -0.08 0.37 -0.04 3.65 4.06 2d1gA1 SER 175 H 0.32 0.10 0.07 -0.55 8.46 8.41 2d1gA1 SER 175 HA 0.11 0.05 0.12 -0.75 4.49 4.02 2d1gA1 SER 175 HB2 0.53 0.02 0.03 -0.04 3.95 4.48 2d1gA1 SER 175 HB3 0.14 0.09 -0.07 -0.04 3.93 4.05 2d1gA1 THR 176 H 0.25 0.04 -0.09 -0.55 8.28 7.93 2d1gA1 THR 176 HA 0.10 0.14 0.52 -0.75 4.39 4.39 2d1gA1 THR 176 HB 0.07 0.26 0.17 -0.04 4.32 4.77 2d1gA1 THR 176 HG23 -0.28 0.00 -0.10 -0.04 1.22 0.80 2d1gA1 PRO 177 HA -0.01 0.03 0.51 -0.51 4.44 4.47 2d1gA1 PRO 177 HB2 0.10 0.10 -0.07 -0.04 2.28 2.37 2d1gA1 PRO 177 HB3 0.06 0.06 0.08 -0.04 2.02 2.18 2d1gA1 PRO 177 HG2 0.08 0.02 -0.12 -0.04 2.03 1.97 2d1gA1 PRO 177 HG3 0.00 0.24 -0.16 -0.04 2.03 2.08 2d1gA1 PRO 177 HD2 0.12 0.02 -0.51 -0.04 3.68 3.27 2d1gA1 PRO 177 HD3 0.06 0.31 -0.07 -0.04 3.65 3.91 2d1gA1 GLY 178 H 0.13 0.40 -0.33 -0.55 8.43 8.07 2d1gA1 GLY 178 HA2 0.17 -0.11 0.38 -0.51 4.01 3.94 2d1gA1 GLY 178 HA3 0.21 0.22 0.37 -0.51 4.01 4.30 2d1gA1 ALA 179 H 0.18 0.65 -0.02 -0.55 8.40 8.67 2d1gA1 ALA 179 HA 0.20 0.00 0.47 -0.75 4.34 4.25 2d1gA1 ALA 179 HB3 0.10 0.02 0.08 -0.04 1.41 1.57 2d1gA1 LEU 180 H -0.04 0.73 -0.04 -0.55 8.37 8.47 2d1gA1 LEU 180 HA 0.01 -0.05 0.41 -0.75 4.35 3.96 2d1gA1 LEU 180 HB2 -0.06 0.07 0.15 -0.04 1.64 1.76 2d1gA1 LEU 180 HB3 0.00 0.09 0.12 -0.04 1.64 1.81 2d1gA1 LEU 180 HG -0.35 0.13 0.03 -0.04 1.64 1.42 2d1gA1 LEU 180 HD13 -0.35 -0.02 -0.12 -0.04 0.93 0.40 2d1gA1 LEU 180 HD23 -0.42 -0.03 -0.05 -0.04 0.89 0.34 2d1gA1 ASN 181 H 0.04 0.82 -0.12 -0.55 8.53 8.71 2d1gA1 ASN 181 HA 0.05 -0.17 0.45 -0.75 4.76 4.33 2d1gA1 ASN 181 HB2 0.09 0.21 0.14 -0.04 2.88 3.27 2d1gA1 ASN 181 HB3 0.08 -0.21 0.01 -0.04 2.79 2.63 2d1gA1 ASN 181 HD21 0.06 0.05 -0.15 -0.04 7.03 6.95 2d1gA1 ASN 181 HD22 0.09 -0.05 -0.18 -0.04 7.74 7.56 2d1gA1 LEU 182 H -0.01 0.58 -0.26 -0.55 8.37 8.14 2d1gA1 LEU 182 HA -0.00 -0.02 0.34 -0.75 4.35 3.92 2d1gA1 LEU 182 HB2 -0.31 0.08 0.12 -0.04 1.64 1.49 2d1gA1 LEU 182 HB3 -0.29 0.16 0.18 -0.04 1.64 1.66 2d1gA1 LEU 182 HG 0.02 -0.04 -0.16 -0.04 1.64 1.42 2d1gA1 LEU 182 HD13 -0.05 0.01 0.02 -0.04 0.93 0.86 2d1gA1 LEU 182 HD23 -0.88 0.00 -0.04 -0.04 0.89 -0.07 2d1gA1 VAL 183 H -0.13 0.42 -0.14 -0.55 8.24 7.83 2d1gA1 VAL 183 HA -0.06 0.16 0.61 -0.75 4.13 4.09 2d1gA1 VAL 183 HB -0.55 -0.16 0.12 -0.04 2.12 1.49 2d1gA1 VAL 183 HG13 -0.67 0.04 -0.03 -0.04 0.97 0.27 2d1gA1 VAL 183 HG23 -0.56 0.04 -0.05 -0.04 0.95 0.35 2d1gA1 ALA 184 H -0.01 0.35 0.02 -0.55 8.40 8.21 2d1gA1 ALA 184 HA 0.00 0.09 0.98 -0.75 4.34 4.65 2d1gA1 ALA 184 HB3 0.18 0.06 0.02 -0.04 1.41 1.63 2d1gA1 GLY 185 H 0.04 0.38 0.07 -0.55 8.43 8.38 2d1gA1 GLY 185 HA2 0.06 0.13 0.44 -0.51 4.01 4.12 2d1gA1 GLY 185 HA3 0.06 -0.18 0.64 -0.51 4.01 4.01 2d1gA1 ALA 186 H 0.08 0.30 -0.27 -0.55 8.40 7.95 2d1gA1 ALA 186 HA -0.08 0.12 0.58 -0.75 4.34 4.20 2d1gA1 ALA 186 HB3 0.08 0.07 -0.22 -0.04 1.41 1.30 2d1gA1 ASN 187 H 0.02 0.21 0.03 -0.55 8.53 8.24 2d1gA1 ASN 187 HA -0.03 0.18 0.81 -0.75 4.76 4.97 2d1gA1 ASN 187 HB2 -0.01 0.09 0.26 -0.04 2.88 3.19 2d1gA1 ASN 187 HB3 0.01 -0.01 0.03 -0.04 2.79 2.78 2d1gA1 ASN 187 HD21 0.00 0.46 0.04 -0.04 7.03 7.49 2d1gA1 ASN 187 HD22 -0.00 0.48 0.04 -0.04 7.74 8.22 2d1gA1 GLY 188 H 0.03 0.32 -0.19 -0.55 8.43 8.04 2d1gA1 GLY 188 HA2 -0.28 0.10 0.04 -0.51 4.01 3.36 2d1gA1 GLY 188 HA3 -0.35 0.17 0.50 -0.51 4.01 3.82 2d1gA1 PRO 189 HA -0.80 0.38 0.48 -0.51 4.44 3.99 2d1gA1 PRO 189 HB2 -0.32 -0.10 0.00 -0.04 2.28 1.82 2d1gA1 PRO 189 HB3 -0.38 0.06 0.09 -0.04 2.02 1.74 2d1gA1 PRO 189 HG2 -0.48 -0.02 0.05 -0.04 2.03 1.54 2d1gA1 PRO 189 HG3 -0.56 0.06 0.05 -0.04 2.03 1.53 2d1gA1 PRO 189 HD2 -0.73 0.22 0.22 -0.04 3.68 3.35 2d1gA1 PRO 189 HD3 -1.69 0.11 0.40 -0.04 3.65 2.42 2d1gA1 ALA 190 H -0.37 0.59 0.41 -0.55 8.40 8.48 2d1gA1 ALA 190 HA -0.23 0.20 1.16 -0.75 4.34 4.71 2d1gA1 ALA 190 HB3 -0.20 -0.01 -0.13 -0.04 1.41 1.03 2d1gA1 MET 191 H -0.12 0.59 0.35 -0.55 8.47 8.75 2d1gA1 MET 191 HA -0.08 0.08 0.71 -0.75 4.52 4.47 2d1gA1 MET 191 HB2 -0.06 -0.00 0.07 -0.04 2.15 2.11 2d1gA1 MET 191 HB3 -0.09 0.00 -0.14 -0.04 2.03 1.76 2d1gA1 MET 191 HG2 -0.08 0.02 -0.09 -0.04 2.63 2.44 2d1gA1 MET 191 HG3 -0.09 -0.02 -0.01 -0.04 2.56 2.40 2d1gA1 MET 191 HE3 -0.09 -0.00 -0.13 -0.04 2.10 1.83 2d1gA1 SER 192 H -0.03 0.17 0.12 -0.55 8.46 8.16 2d1gA1 SER 192 HA 0.03 0.29 0.96 -0.75 4.49 5.01 2d1gA1 SER 192 HB2 0.00 0.04 -0.01 -0.04 3.95 3.94 2d1gA1 SER 192 HB3 -0.01 0.07 0.04 -0.04 3.93 3.99 2d1gA1 PRO 193 HA 0.03 0.07 0.47 -0.51 4.44 4.51 2d1gA1 PRO 193 HB2 0.05 0.05 0.03 -0.04 2.28 2.37 2d1gA1 PRO 193 HB3 0.07 0.03 0.12 -0.04 2.02 2.20 2d1gA1 PRO 193 HG2 0.20 0.07 0.07 -0.04 2.03 2.32 2d1gA1 PRO 193 HG3 0.22 0.03 0.05 -0.04 2.03 2.29 2d1gA1 PRO 193 HD2 0.09 0.23 0.24 -0.04 3.68 4.20 2d1gA1 PRO 193 HD3 0.13 0.14 0.10 -0.04 3.65 3.99 2d1gA1 SER 194 H 0.02 0.11 -0.35 -0.55 8.46 7.69 2d1gA1 SER 194 HA 0.00 0.15 0.57 -0.75 4.49 4.45 2d1gA1 SER 194 HB2 -0.00 0.05 -0.00 -0.04 3.95 3.95 2d1gA1 SER 194 HB3 -0.00 -0.03 0.10 -0.04 3.93 3.95 2d1gA1 GLY 195 H -0.00 0.50 -0.38 -0.55 8.43 8.00 2d1gA1 GLY 195 HA2 -0.02 0.05 0.32 -0.51 4.01 3.86 2d1gA1 GLY 195 HA3 -0.01 0.07 0.64 -0.51 4.01 4.20 2d1gA1 ASN 196 H -0.02 0.14 0.16 -0.55 8.53 8.26 2d1gA1 ASN 196 HA -0.03 -0.02 0.25 -0.75 4.76 4.21 2d1gA1 ASN 196 HB2 -0.01 -0.04 0.20 -0.04 2.88 2.99 2d1gA1 ASN 196 HB3 -0.02 0.26 0.06 -0.04 2.79 3.05 2d1gA1 ASN 196 HD21 -0.01 -0.13 0.04 -0.04 7.03 6.89 2d1gA1 ASN 196 HD22 -0.01 0.06 0.09 -0.04 7.74 7.84 2d1gA1 LEU 197 H -0.01 0.10 -0.17 -0.55 8.37 7.74 2d1gA1 LEU 197 HA -0.01 0.07 0.27 -0.75 4.35 3.93 2d1gA1 LEU 197 HB2 -0.01 0.04 0.17 -0.04 1.64 1.80 2d1gA1 LEU 197 HB3 -0.01 -0.05 0.21 -0.04 1.64 1.75 2d1gA1 LEU 197 HG -0.01 0.13 -0.28 -0.04 1.64 1.44 2d1gA1 LEU 197 HD13 -0.01 0.00 -0.01 -0.04 0.93 0.88 2d1gA1 LEU 197 HD23 -0.01 0.00 0.05 -0.04 0.89 0.90 2d1gA1 GLU 198 H -0.01 0.15 0.16 -0.55 8.60 8.35 2d1gA1 GLU 198 HA 0.01 0.23 0.82 -0.75 4.29 4.59 2d1gA1 GLU 198 HB2 0.01 0.00 0.10 -0.04 2.09 2.16 2d1gA1 GLU 198 HB3 0.03 -0.03 0.18 -0.04 1.99 2.12 2d1gA1 GLU 198 HG2 0.00 -0.05 -0.15 -0.04 2.34 2.10 2d1gA1 GLU 198 HG3 0.01 0.01 0.00 -0.04 2.34 2.32 2d1gA1 ASN 199 H -0.02 0.58 -0.02 -0.55 8.53 8.52 2d1gA1 ASN 199 HA -0.02 0.02 0.74 -0.75 4.76 4.74 2d1gA1 ASN 199 HB2 -0.02 0.23 0.04 -0.04 2.88 3.10 2d1gA1 ASN 199 HB3 -0.02 -0.00 -0.10 -0.04 2.79 2.63 2d1gA1 ASN 199 HD21 -0.02 -0.03 -0.01 -0.04 7.03 6.92 2d1gA1 ASN 199 HD22 -0.01 0.11 -0.06 -0.04 7.74 7.74 2d1gA1 ILE 200 H -0.03 0.42 0.04 -0.55 8.25 8.13 2d1gA1 ILE 200 HA -0.08 0.27 0.93 -0.75 4.18 4.54 2d1gA1 ILE 200 HB -0.05 -0.05 -0.01 -0.04 1.89 1.74 2d1gA1 ILE 200 HG12 -0.07 0.07 -0.36 -0.04 1.49 1.08 2d1gA1 ILE 200 HG13 -0.04 -0.09 -0.61 -0.04 1.21 0.43 2d1gA1 ILE 200 HG23 -0.08 -0.00 -0.33 -0.04 0.93 0.47 2d1gA1 ILE 200 HD13 -0.05 0.04 -0.35 -0.04 0.88 0.47 2d1gA1 GLU 201 H -0.07 0.74 0.24 -0.55 8.60 8.97 2d1gA1 GLU 201 HA -0.01 0.10 0.57 -0.75 4.29 4.19 2d1gA1 GLU 201 HB2 -0.08 0.01 0.05 -0.04 2.09 2.03 2d1gA1 GLU 201 HB3 0.02 -0.02 -0.07 -0.04 1.99 1.88 2d1gA1 GLU 201 HG2 0.03 0.06 0.06 -0.04 2.34 2.45 2d1gA1 GLU 201 HG3 -0.03 -0.00 -0.33 -0.04 2.34 1.93 2d1gA1 ASN 202 H 0.00 0.16 0.07 -0.55 8.53 8.21 2d1gA1 ASN 202 HA 0.01 0.03 0.32 -0.75 4.76 4.36 2d1gA1 ASN 202 HB2 0.07 -0.09 -0.08 -0.04 2.88 2.74 2d1gA1 ASN 202 HB3 0.16 0.37 -0.25 -0.04 2.79 3.02 2d1gA1 ASN 202 HD21 0.19 -0.05 0.05 -0.04 7.03 7.18 2d1gA1 ASN 202 HD22 0.19 0.35 0.09 -0.04 7.74 8.33 2d1gA1 ASN 203 H -0.08 -0.01 -0.30 -0.55 8.53 7.60 2d1gA1 ASN 203 HA -0.18 0.06 0.21 -0.75 4.76 4.09 2d1gA1 ASN 203 HB2 -0.29 0.16 -0.01 -0.04 2.88 2.69 2d1gA1 ASN 203 HB3 -0.33 -0.16 0.31 -0.04 2.79 2.57 2d1gA1 ASN 203 HD21 -0.09 -0.08 0.03 -0.04 7.03 6.85 2d1gA1 ASN 203 HD22 -0.15 0.37 0.12 -0.04 7.74 8.04 2d1gA1 TYR 204 H -0.03 0.53 -0.40 -0.55 8.29 7.84 2d1gA1 TYR 204 HA -0.13 0.17 0.84 -0.75 4.56 4.69 2d1gA1 TYR 204 HB2 -0.08 0.03 0.06 -0.04 3.06 3.03 2d1gA1 TYR 204 HB3 -0.09 0.11 -0.12 -0.04 2.98 2.84 2d1gA1 TYR 204 HD2 -0.07 0.05 -0.26 -0.04 7.15 6.83 2d1gA1 TYR 204 HE2 -0.07 0.01 -0.21 -0.04 6.85 6.54 2d1gA1 ILE 205 H -0.04 0.76 0.25 -0.55 8.25 8.67 2d1gA1 ILE 205 HA -0.08 0.04 0.70 -0.75 4.18 4.09 2d1gA1 ILE 205 HB -0.11 0.04 0.16 -0.04 1.89 1.94 2d1gA1 ILE 205 HG12 -0.07 -0.04 -0.15 -0.04 1.49 1.19 2d1gA1 ILE 205 HG13 -0.12 -0.04 -0.10 -0.04 1.21 0.90 2d1gA1 ILE 205 HG23 -0.06 -0.02 -0.14 -0.04 0.93 0.67 2d1gA1 ILE 205 HD13 -0.16 0.00 -0.19 -0.04 0.88 0.49 2d1gA1 ILE 206 H -0.12 0.46 0.37 -0.55 8.25 8.41 2d1gA1 ILE 206 HA -0.16 0.26 0.96 -0.75 4.18 4.48 2d1gA1 ILE 206 HB -0.94 -0.14 0.11 -0.04 1.89 0.88 2d1gA1 ILE 206 HG12 -0.19 -0.03 -0.36 -0.04 1.49 0.87 2d1gA1 ILE 206 HG13 -0.14 0.11 -0.31 -0.04 1.21 0.82 2d1gA1 ILE 206 HG23 -0.64 0.06 -0.09 -0.04 0.93 0.22 2d1gA1 ILE 206 HD13 -0.19 -0.05 -0.13 -0.04 0.88 0.47 2d1gA1 ASP 207 H -0.05 0.36 0.18 -0.55 8.40 8.35 2d1gA1 ASP 207 HA 0.04 0.11 0.78 -0.75 4.63 4.80 2d1gA1 ASP 207 HB2 -0.00 0.14 0.06 -0.04 2.71 2.87 2d1gA1 ASP 207 HB3 -0.01 -0.04 0.16 -0.04 2.70 2.77 2d1gA1 ASP 208 H -0.02 0.10 0.06 -0.55 8.40 8.00 2d1gA1 ASP 208 HA 0.05 0.27 0.85 -0.75 4.63 5.05 2d1gA1 ASP 208 HB2 -0.17 -0.01 0.14 -0.04 2.71 2.62 2d1gA1 ASP 208 HB3 -0.54 0.07 0.11 -0.04 2.70 2.30 2d1gA1 PRO 209 HA -0.01 0.12 0.60 -0.51 4.44 4.64 2d1gA1 PRO 209 HB2 0.06 0.08 -0.36 -0.04 2.28 2.02 2d1gA1 PRO 209 HB3 0.01 -0.08 -0.15 -0.04 2.02 1.76 2d1gA1 PRO 209 HG2 0.13 0.07 -0.12 -0.04 2.03 2.06 2d1gA1 PRO 209 HG3 0.02 -0.01 -0.18 -0.04 2.03 1.82 2d1gA1 PRO 209 HD2 0.02 0.34 -0.24 -0.04 3.68 3.76 2d1gA1 PRO 209 HD3 -0.00 -0.07 -0.19 -0.04 3.65 3.35 2d1gA1 ASN 210 H -0.05 0.46 0.22 -0.55 8.53 8.62 2d1gA1 ASN 210 HA 0.07 0.01 0.47 -0.75 4.76 4.56 2d1gA1 ASN 210 HB2 -0.18 0.10 0.03 -0.04 2.88 2.78 2d1gA1 ASN 210 HB3 -0.20 0.07 -0.02 -0.04 2.79 2.59 2d1gA1 ASN 210 HD21 -0.08 -0.03 0.08 -0.04 7.03 6.97 2d1gA1 ASN 210 HD22 -0.17 0.21 0.11 -0.04 7.74 7.85 2d1gA1 PRO 211 HA -1.14 0.14 0.49 -0.51 4.44 3.43 2d1gA1 PRO 211 HB2 -0.30 0.07 -0.38 -0.04 2.28 1.63 2d1gA1 PRO 211 HB3 -1.08 0.04 -0.22 -0.04 2.02 0.72 2d1gA1 PRO 211 HG2 -0.14 -0.06 -0.07 -0.04 2.03 1.72 2d1gA1 PRO 211 HG3 -0.11 0.16 -0.02 -0.04 2.03 2.01 2d1gA1 PRO 211 HD2 -0.11 -0.02 -0.07 -0.04 3.68 3.43 2d1gA1 PRO 211 HD3 -0.09 0.17 -0.20 -0.04 3.65 3.48 2d1gA1 TYR 212 H -0.11 0.54 0.28 -0.55 8.29 8.45 2d1gA1 TYR 212 HA -0.12 0.02 0.42 -0.75 4.56 4.13 2d1gA1 TYR 212 HB2 -0.18 0.00 -0.19 -0.04 3.06 2.65 2d1gA1 TYR 212 HB3 -0.47 0.01 0.03 -0.04 2.98 2.51 2d1gA1 TYR 212 HD2 -0.81 0.00 -0.27 -0.04 7.15 6.03 2d1gA1 TYR 212 HE2 -0.05 0.02 -0.09 -0.04 6.85 6.69 2d1gA1 TYR 213 H 0.12 0.37 -0.13 -0.55 8.29 8.10 2d1gA1 TYR 213 HA -0.18 0.08 0.44 -0.75 4.56 4.14 2d1gA1 TYR 213 HB2 -0.01 0.20 0.09 -0.04 3.06 3.31 2d1gA1 TYR 213 HB3 -0.19 -0.04 0.09 -0.04 2.98 2.80 2d1gA1 TYR 213 HD2 -0.02 0.06 -0.14 -0.04 7.15 7.01 2d1gA1 TYR 213 HE2 0.07 0.06 -0.02 -0.04 6.85 6.92 2d1gA1 ASP 214 H 0.12 0.52 -0.26 -0.55 8.40 8.23 2d1gA1 ASP 214 HA 0.09 0.10 0.70 -0.75 4.63 4.77 2d1gA1 ASP 214 HB2 0.05 0.07 -0.38 -0.04 2.71 2.41 2d1gA1 ASP 214 HB3 0.01 0.06 -0.02 -0.04 2.70 2.71 2d1gA1 ASP 215 H 0.10 0.85 0.34 -0.55 8.40 9.15 2d1gA1 ASP 215 HA 0.29 0.02 0.50 -0.75 4.63 4.69 2d1gA1 ASP 215 HB2 -0.05 0.07 0.29 -0.04 2.71 2.97 2d1gA1 ASP 215 HB3 0.01 0.14 0.14 -0.04 2.70 2.94 2d1gA1 CYS 216 H -0.01 0.10 -0.33 -0.55 8.50 7.71 2d1gA1 CYS 216 HA -0.04 0.09 0.33 -0.75 4.58 4.21 2d1gA1 CYS 216 HB2 0.04 0.03 -0.03 -0.04 2.97 2.97 2d1gA1 CYS 216 HB3 0.07 -0.01 0.05 -0.04 2.97 3.05 2d1gA1 SER 217 H 0.00 0.42 -0.44 -0.55 8.46 7.89 2d1gA1 SER 217 HA -0.13 0.02 0.59 -0.75 4.49 4.22 2d1gA1 SER 217 HB2 -0.73 0.18 0.04 -0.04 3.95 3.41 2d1gA1 SER 217 HB3 -0.60 -0.05 -0.06 -0.04 3.93 3.17 2d1gA1 TYR 218 H 0.09 0.33 -0.18 -0.55 8.29 7.98 2d1gA1 TYR 218 HA -0.05 0.31 0.41 -0.75 4.56 4.48 2d1gA1 TYR 218 HB2 -0.05 0.03 0.00 -0.04 3.06 3.00 2d1gA1 TYR 218 HB3 -0.06 -0.00 -0.35 -0.04 2.98 2.52 2d1gA1 TYR 218 HD2 -0.06 0.15 -0.02 -0.04 7.15 7.19 2d1gA1 TYR 218 HE2 -0.11 0.01 -0.00 -0.04 6.85 6.70 2d1gA1 GLY 219 H 0.11 0.51 0.11 -0.55 8.43 8.60 2d1gA1 GLY 219 HA2 0.01 0.04 0.02 -0.51 4.01 3.57 2d1gA1 GLY 219 HA3 0.02 -0.07 0.32 -0.51 4.01 3.76 2d1gA1 THR 220 H 0.05 0.06 -0.48 -0.55 8.28 7.36 2d1gA1 THR 220 HA -0.01 0.03 0.52 -0.75 4.39 4.18 2d1gA1 THR 220 HB -0.02 -0.05 0.01 -0.04 4.32 4.21 2d1gA1 THR 220 HG23 -0.02 0.04 0.10 -0.04 1.22 1.30 2d1gA1 SER 221 H 0.01 0.59 -0.16 -0.55 8.46 8.35 2d1gA1 SER 221 HA -0.04 0.08 0.85 -0.75 4.49 4.62 2d1gA1 SER 221 HB2 -0.02 0.30 0.10 -0.04 3.95 4.29 2d1gA1 SER 221 HB3 -0.03 -0.13 0.07 -0.04 3.93 3.79 2d1gA1 LYS 222 H -0.02 0.07 0.04 -0.55 8.42 7.96 2d1gA1 LYS 222 HA -0.02 0.19 0.57 -0.75 4.32 4.31 2d1gA1 LYS 222 HB2 -0.01 -0.03 0.10 -0.04 1.87 1.89 2d1gA1 LYS 222 HB3 -0.02 0.01 0.11 -0.04 1.79 1.85 2d1gA1 LYS 222 HG2 -0.01 0.07 -0.03 -0.04 1.46 1.44 2d1gA1 LYS 222 HG3 -0.02 -0.05 0.04 -0.04 1.46 1.39 2d1gA1 LYS 222 HD2 -0.01 0.01 0.02 -0.04 1.69 1.66 2d1gA1 LYS 222 HD3 -0.01 0.00 0.02 -0.04 1.68 1.65 2d1gA1 LYS 222 HE2 -0.01 -0.01 -0.00 -0.04 2.99 2.92 2d1gA1 LYS 222 HE3 -0.01 -0.02 -0.00 -0.04 2.99 2.92 2d1gA1 SER 223 H -0.00 -0.01 -0.16 -0.55 8.46 7.75 2d1gA1 SER 223 HA -0.02 0.04 0.69 -0.75 4.49 4.46 2d1gA1 SER 223 HB2 0.09 0.04 0.09 -0.04 3.95 4.13 2d1gA1 SER 223 HB3 0.09 0.03 0.22 -0.04 3.93 4.23 2d1gA1 GLY 224 H -0.01 0.11 -0.56 -0.55 8.43 7.42 2d1gA1 GLY 224 HA2 -0.05 0.07 0.53 -0.51 4.01 4.05 2d1gA1 GLY 224 HA3 -0.03 0.17 -0.20 -0.51 4.01 3.44 2d1gA1 ASP 225 H -0.07 0.59 0.03 -0.55 8.40 8.40 2d1gA1 ASP 225 HA -0.03 0.08 0.60 -0.75 4.63 4.53 2d1gA1 ASP 225 HB2 -0.04 0.18 -0.18 -0.04 2.71 2.63 2d1gA1 ASP 225 HB3 -0.06 0.00 0.03 -0.04 2.70 2.64 2d1gA1 THR 226 H -0.01 0.18 0.07 -0.55 8.28 7.97 2d1gA1 THR 226 HA 0.01 0.14 0.06 -0.75 4.39 3.84 2d1gA1 THR 226 HB -0.01 -0.03 0.08 -0.04 4.32 4.32 2d1gA1 THR 226 HG23 -0.00 -0.02 -0.08 -0.04 1.22 1.08 2d1gA1 ASN 227 H -0.02 0.02 -0.27 -0.55 8.53 7.71 2d1gA1 ASN 227 HA -0.01 0.20 0.49 -0.75 4.76 4.68 2d1gA1 ASN 227 HB2 -0.02 -0.00 0.01 -0.04 2.88 2.82 2d1gA1 ASN 227 HB3 -0.02 -0.01 0.12 -0.04 2.79 2.84 2d1gA1 ASN 227 HD21 -0.01 0.01 -0.02 -0.04 7.03 6.97 2d1gA1 ASN 227 HD22 -0.01 0.01 -0.00 -0.04 7.74 7.70 2d1gA1 THR 228 H -0.04 0.38 -0.47 -0.55 8.28 7.60 2d1gA1 THR 228 HA -0.04 0.02 0.86 -0.75 4.39 4.47 2d1gA1 THR 228 HB -0.08 0.16 0.13 -0.04 4.32 4.49 2d1gA1 THR 228 HG23 -0.08 0.03 0.01 -0.04 1.22 1.14 2d1gA1 ALA 229 H -0.04 0.03 0.13 -0.55 8.40 7.97 2d1gA1 ALA 229 HA -0.03 0.11 0.47 -0.75 4.34 4.14 2d1gA1 ALA 229 HB3 -0.01 -0.02 0.07 -0.04 1.41 1.41 2d1gA1 VAL 230 H -0.02 0.06 0.20 -0.55 8.24 7.94 2d1gA1 VAL 230 HA -0.08 0.33 0.84 -0.75 4.13 4.46 2d1gA1 VAL 230 HB -0.10 0.01 -0.19 -0.04 2.12 1.79 2d1gA1 VAL 230 HG13 -0.44 0.02 -0.20 -0.04 0.97 0.32 2d1gA1 VAL 230 HG23 -0.02 -0.03 0.01 -0.04 0.95 0.86 2d1gA1 ALA 231 H 0.01 0.60 0.21 -0.55 8.40 8.67 2d1gA1 ALA 231 HA 0.05 0.20 0.83 -0.75 4.34 4.66 2d1gA1 ALA 231 HB3 0.08 -0.00 -0.19 -0.04 1.41 1.26 2d1gA1 LYS 232 H -0.03 0.56 0.37 -0.55 8.42 8.78 2d1gA1 LYS 232 HA 0.05 0.22 0.93 -0.75 4.32 4.76 2d1gA1 LYS 232 HB2 0.09 0.11 0.16 -0.04 1.87 2.18 2d1gA1 LYS 232 HB3 -0.05 -0.06 0.01 -0.04 1.79 1.64 2d1gA1 LYS 232 HG2 -0.15 0.01 0.04 -0.04 1.46 1.32 2d1gA1 LYS 232 HG3 -0.11 -0.04 -0.21 -0.04 1.46 1.06 2d1gA1 LYS 232 HD2 -0.01 0.03 -0.05 -0.04 1.69 1.62 2d1gA1 LYS 232 HD3 -0.60 -0.01 -0.06 -0.04 1.68 0.96 2d1gA1 ILE 233 H -0.34 0.67 0.26 -0.55 8.25 8.29 2d1gA1 ILE 233 HA -0.40 0.18 0.95 -0.75 4.18 4.15 2d1gA1 ILE 233 HB -1.89 -0.06 0.00 -0.04 1.89 -0.10 2d1gA1 ILE 233 HG12 -0.84 -0.05 -0.15 -0.04 1.49 0.42 2d1gA1 ILE 233 HG13 -2.42 -0.01 -0.16 -0.04 1.21 -1.42 2d1gA1 ILE 233 HG23 -0.46 0.00 -0.18 -0.04 0.93 0.25 2d1gA1 ILE 233 HD13 -0.47 0.00 -0.27 -0.04 0.88 0.10 2d1gA1 THR 234 H -0.25 0.60 0.29 -0.55 8.28 8.38 2d1gA1 THR 234 HA -0.09 0.14 0.58 -0.75 4.39 4.27 2d1gA1 THR 234 HB -0.08 -0.03 0.02 -0.04 4.32 4.19 2d1gA1 THR 234 HG23 -0.12 0.00 -0.14 -0.04 1.22 0.93 2d1gA1 ASP 235 H -0.17 0.33 0.11 -0.55 8.40 8.12 2d1gA1 ASP 235 HA -0.00 0.09 0.50 -0.75 4.63 4.46 2d1gA1 ASP 235 HB2 -0.02 0.05 -0.17 -0.04 2.71 2.54 2d1gA1 ASP 235 HB3 -0.06 -0.01 -0.00 -0.04 2.70 2.59 2d1gA1 GLY 236 H -0.04 0.07 0.07 -0.55 8.43 7.99 2d1gA1 GLY 236 HA2 0.01 -0.07 0.42 -0.51 4.01 3.86 2d1gA1 GLY 236 HA3 0.31 0.15 0.48 -0.51 4.01 4.44 2d1gA1 TYR 237 H 0.06 0.16 0.14 -0.55 8.29 8.10 2d1gA1 TYR 237 HA -0.44 0.13 0.74 -0.75 4.56 4.23 2d1gA1 TYR 237 HB2 0.10 0.25 0.13 -0.04 3.06 3.50 2d1gA1 TYR 237 HB3 -0.32 0.02 0.14 -0.04 2.98 2.78 2d1gA1 TYR 237 HD2 -0.67 0.09 0.01 -0.04 7.15 6.54 2d1gA1 TYR 237 HE2 -0.12 0.02 -0.02 -0.04 6.85 6.68 2d1gA1 ASN 238 H 0.18 0.04 0.18 -0.55 8.53 8.38 2d1gA1 ASN 238 HA -0.14 0.29 0.89 -0.75 4.76 5.05 2d1gA1 ASN 238 HB2 -0.51 0.11 0.07 -0.04 2.88 2.51 2d1gA1 ASN 238 HB3 -1.58 0.09 -0.04 -0.04 2.79 1.23 2d1gA1 ASN 238 HD21 -0.52 0.06 0.03 -0.04 7.03 6.55 2d1gA1 ASN 238 HD22 -2.79 0.09 -0.04 -0.04 7.74 4.96 2d1gA1 ILE 239 H -0.10 0.74 0.32 -0.55 8.25 8.66 2d1gA1 ILE 239 HA 0.01 0.08 0.37 -0.75 4.18 3.89 2d1gA1 ILE 239 HB -0.03 0.07 0.15 -0.04 1.89 2.05 2d1gA1 ILE 239 HG12 -0.04 0.04 -0.02 -0.04 1.49 1.43 2d1gA1 ILE 239 HG13 -0.21 -0.03 -0.06 -0.04 1.21 0.87 2d1gA1 ILE 239 HG23 -0.01 0.02 0.02 -0.04 0.93 0.93 2d1gA1 ILE 239 HD13 -0.09 0.00 -0.03 -0.04 0.88 0.72 2d1gA1 GLY 240 H -0.24 0.09 -0.23 -0.55 8.43 7.51 2d1gA1 GLY 240 HA2 -2.04 0.14 0.36 -0.51 4.01 1.97 2d1gA1 GLY 240 HA3 -1.12 0.12 0.24 -0.51 4.01 2.74 2d1gA1 HIS 241 H -0.29 0.12 -0.22 -0.55 8.41 7.48 2d1gA1 HIS 241 HA -0.27 0.00 0.36 -0.75 4.63 3.96 2d1gA1 HIS 241 HB2 -0.45 0.23 0.14 -0.04 3.26 3.14 2d1gA1 HIS 241 HB3 -0.88 0.00 -0.01 -0.04 3.20 2.27 2d1gA1 HIS 241 HD2 -0.22 0.06 -0.00 -0.04 6.97 6.76 2d1gA1 HIS 241 HE1 -1.03 0.09 0.05 -0.04 7.75 6.82 2d1gA1 TYR 242 H -0.04 0.27 -0.35 -0.55 8.29 7.63 2d1gA1 TYR 242 HA -0.16 0.05 0.43 -0.75 4.56 4.13 2d1gA1 TYR 242 HB2 -0.17 0.11 0.07 -0.04 3.06 3.02 2d1gA1 TYR 242 HB3 -0.13 0.05 -0.05 -0.04 2.98 2.81 2d1gA1 TYR 242 HD2 -0.09 0.07 -0.02 -0.04 7.15 7.06 2d1gA1 TYR 242 HE2 0.04 -0.00 -0.01 -0.04 6.85 6.83 2d1gA1 LEU 243 H -0.35 0.47 0.00 -0.55 8.37 7.95 2d1gA1 LEU 243 HA -0.22 0.08 0.47 -0.75 4.35 3.93 2d1gA1 LEU 243 HB2 -1.27 -0.04 0.13 -0.04 1.64 0.42 2d1gA1 LEU 243 HB3 -0.40 0.19 0.00 -0.04 1.64 1.39 2d1gA1 LEU 243 HG -0.41 0.08 -0.01 -0.04 1.64 1.26 2d1gA1 LEU 243 HD13 -0.60 -0.03 -0.13 -0.04 0.93 0.12 2d1gA1 LEU 243 HD23 -0.37 0.01 -0.08 -0.04 0.89 0.41 2d1gA1 THR 244 H -0.19 0.60 -0.08 -0.55 8.28 8.05 2d1gA1 THR 244 HA 0.37 0.10 0.40 -0.75 4.39 4.50 2d1gA1 THR 244 HB 0.02 0.04 0.12 -0.04 4.32 4.45 2d1gA1 THR 244 HG23 0.21 -0.01 -0.15 -0.04 1.22 1.23 2d1gA1 GLN 245 H -0.11 0.42 -0.13 -0.55 8.47 8.11 2d1gA1 GLN 245 HA -0.05 0.00 0.39 -0.75 4.36 3.94 2d1gA1 GLN 245 HB2 -0.18 0.00 0.16 -0.04 2.15 2.08 2d1gA1 GLN 245 HB3 -0.13 0.08 0.15 -0.04 2.02 2.08 2d1gA1 GLN 245 HG2 -0.07 0.00 -0.18 -0.04 2.40 2.12 2d1gA1 GLN 245 HG3 -0.08 0.00 0.04 -0.04 2.39 2.31 2d1gA1 GLN 245 HE21 -0.14 -0.06 -0.01 -0.04 6.97 6.72 2d1gA1 GLN 245 HE22 -0.11 -0.01 0.00 -0.04 7.69 7.54 2d1gA1 LYS 246 H -0.12 0.38 -0.44 -0.55 8.42 7.68 2d1gA1 LYS 246 HA -0.10 0.06 0.52 -0.75 4.32 4.04 2d1gA1 LYS 246 HB2 -0.05 -0.02 0.08 -0.04 1.87 1.83 2d1gA1 LYS 246 HB3 -0.11 0.03 0.10 -0.04 1.79 1.77 2d1gA1 LYS 246 HG2 -0.06 0.00 0.00 -0.04 1.46 1.37 2d1gA1 LYS 246 HG3 -0.06 -0.05 0.13 -0.04 1.46 1.44 2d1gA1 LYS 246 HD2 -0.01 -0.09 -0.01 -0.04 1.69 1.54 2d1gA1 LYS 246 HD3 -0.00 0.05 -0.06 -0.04 1.68 1.63 2d1gA1 LYS 246 HE2 -0.01 -0.03 0.06 -0.04 2.99 2.97 2d1gA1 LYS 246 HE3 -0.02 -0.12 0.05 -0.04 2.99 2.86 2d1gA1 GLY 247 H -0.39 0.31 -0.32 -0.55 8.43 7.48 2d1gA1 GLY 247 HA2 -2.23 0.00 0.28 -0.51 4.01 1.56 2d1gA1 GLY 247 HA3 -0.68 -0.01 0.46 -0.51 4.01 3.27 2d1gA1 ILE 248 H -0.29 0.52 -0.00 -0.55 8.25 7.93 2d1gA1 ILE 248 HA -0.08 0.13 0.84 -0.75 4.18 4.32 2d1gA1 ILE 248 HB -0.19 -0.09 0.12 -0.04 1.89 1.69 2d1gA1 ILE 248 HG12 -0.04 0.05 -0.03 -0.04 1.49 1.43 2d1gA1 ILE 248 HG13 -0.13 0.02 -0.28 -0.04 1.21 0.78 2d1gA1 ILE 248 HG23 -0.48 0.01 -0.10 -0.04 0.93 0.33 2d1gA1 ILE 248 HD13 -0.10 0.01 -0.02 -0.04 0.88 0.73 2d1gA1 THR 249 H 0.15 0.16 0.14 -0.55 8.28 8.19 2d1gA1 THR 249 HA 0.50 0.35 0.40 -0.75 4.39 4.89 2d1gA1 THR 249 HB 0.17 0.01 0.04 -0.04 4.32 4.50 2d1gA1 THR 249 HG23 0.20 0.04 -0.12 -0.04 1.22 1.30 2d1gA1 TRP 250 H 0.25 0.60 0.48 -0.55 7.97 8.75 2d1gA1 TRP 250 HA 0.10 0.23 0.83 -0.75 4.62 5.04 2d1gA1 TRP 250 HB2 -0.01 -0.03 0.15 -0.04 3.23 3.30 2d1gA1 TRP 250 HB3 -0.09 0.08 -0.27 -0.04 3.23 2.90 2d1gA1 TRP 250 HD1 -0.06 0.43 -0.04 -0.04 7.22 7.51 2d1gA1 TRP 250 HE1 -0.82 -0.04 -0.04 -0.04 10.20 9.27 2d1gA1 TRP 250 HE3 -0.07 0.06 -0.18 -0.04 7.59 7.36 2d1gA1 TRP 250 HZ2 -0.55 0.02 -0.08 -0.04 7.44 6.79 2d1gA1 TRP 250 HZ3 -1.78 -0.06 -0.07 -0.04 7.13 5.18 2d1gA1 TRP 250 HH2 -1.03 0.03 0.01 -0.04 7.19 6.16 2d1gA1 GLY 251 H 0.45 0.54 0.45 -0.55 8.43 9.32 2d1gA1 GLY 251 HA2 -0.58 0.24 0.52 -0.51 4.01 3.69 2d1gA1 GLY 251 HA3 -0.28 -0.05 0.45 -0.51 4.01 3.63 2d1gA1 TRP 252 H -0.24 0.70 0.41 -0.55 7.97 8.30 2d1gA1 TRP 252 HA 0.27 0.10 0.94 -0.75 4.62 5.17 2d1gA1 TRP 252 HB2 0.27 -0.02 0.15 -0.04 3.23 3.59 2d1gA1 TRP 252 HB3 -0.09 0.02 0.28 -0.04 3.23 3.40 2d1gA1 TRP 252 HD1 -0.03 -0.04 -0.19 -0.04 7.22 6.92 2d1gA1 TRP 252 HE1 0.21 -0.01 -0.13 -0.04 10.20 10.23 2d1gA1 TRP 252 HE3 -0.04 -0.01 0.06 -0.04 7.59 7.55 2d1gA1 TRP 252 HZ2 0.20 0.12 0.07 -0.04 7.44 7.79 2d1gA1 TRP 252 HZ3 -0.32 -0.01 0.02 -0.04 7.13 6.78 2d1gA1 TRP 252 HH2 0.25 0.01 0.06 -0.04 7.19 7.47 2d1gA1 PHE 253 H -0.15 0.85 0.29 -0.55 8.34 8.77 2d1gA1 PHE 253 HA 0.02 0.24 0.79 -0.75 4.62 4.91 2d1gA1 PHE 253 HB2 -0.21 0.07 0.19 -0.04 3.15 3.16 2d1gA1 PHE 253 HB3 -0.05 -0.13 -0.10 -0.04 3.06 2.73 2d1gA1 PHE 253 HD2 -0.02 0.09 -0.14 -0.04 7.28 7.16 2d1gA1 PHE 253 HE2 -0.13 0.02 -0.20 -0.04 7.38 7.03 2d1gA1 PHE 253 HZ -0.08 0.07 -0.21 -0.04 7.32 7.06 2d1gA1 GLN 254 H 0.16 0.59 0.25 -0.55 8.47 8.92 2d1gA1 GLN 254 HA 0.08 0.37 1.13 -0.75 4.36 5.18 2d1gA1 GLN 254 HB2 0.43 -0.00 -0.20 -0.04 2.15 2.33 2d1gA1 GLN 254 HB3 0.56 -0.03 -0.01 -0.04 2.02 2.50 2d1gA1 GLN 254 HG2 0.42 0.21 -0.19 -0.04 2.40 2.80 2d1gA1 GLN 254 HG3 0.25 0.07 -0.02 -0.04 2.39 2.65 2d1gA1 GLN 254 HE21 0.00 0.21 -0.06 -0.04 6.97 7.08 2d1gA1 GLN 254 HE22 0.14 0.06 0.02 -0.04 7.69 7.86 2d1gA1 GLY 255 H 0.07 0.71 0.12 -0.55 8.43 8.78 2d1gA1 GLY 255 HA2 0.21 -0.13 0.58 -0.51 4.01 4.15 2d1gA1 GLY 255 HA3 0.11 0.07 0.29 -0.51 4.01 3.97 2d1gA1 GLY 256 H 0.21 0.08 0.20 -0.55 8.43 8.37 2d1gA1 GLY 256 HA2 0.15 0.04 0.30 -0.51 4.01 3.99 2d1gA1 GLY 256 HA3 0.23 0.05 0.22 -0.51 4.01 4.00 2d1gA1 PHE 257 H 0.37 0.27 -0.44 -0.55 8.34 7.98 2d1gA1 PHE 257 HA -0.43 0.08 0.31 -0.75 4.62 3.83 2d1gA1 PHE 257 HB2 0.18 0.06 -0.03 -0.04 3.15 3.32 2d1gA1 PHE 257 HB3 0.11 -0.18 -0.06 -0.04 3.06 2.88 2d1gA1 PHE 257 HD2 0.05 -0.07 -0.25 -0.04 7.28 6.97 2d1gA1 PHE 257 HE2 -0.21 0.06 -0.11 -0.04 7.38 7.07 2d1gA1 PHE 257 HZ -0.39 0.09 0.01 -0.04 7.32 6.99 2d1gA1 LYS 258 H 0.23 -0.15 -0.14 -0.55 8.42 7.80 2d1gA1 LYS 258 HA 0.16 0.19 0.51 -0.75 4.32 4.42 2d1gA1 LYS 258 HB2 0.19 -0.14 0.11 -0.04 1.87 1.99 2d1gA1 LYS 258 HB3 0.13 -0.11 0.09 -0.04 1.79 1.86 2d1gA1 LYS 258 HG2 0.09 0.28 -0.19 -0.04 1.46 1.60 2d1gA1 LYS 258 HG3 0.14 0.03 0.04 -0.04 1.46 1.63 2d1gA1 LYS 258 HD2 0.13 -0.09 0.00 -0.04 1.69 1.69 2d1gA1 LYS 258 HD3 0.10 -0.07 -0.02 -0.04 1.68 1.66 2d1gA1 LYS 258 HE2 0.08 0.10 -0.02 -0.04 2.99 3.11 2d1gA1 LYS 258 HE3 0.10 0.02 -0.01 -0.04 2.99 3.06 2d1gA1 PRO 259 HA -0.21 -0.01 0.48 -0.51 4.44 4.19 2d1gA1 PRO 259 HB2 -0.25 -0.02 0.01 -0.04 2.28 1.97 2d1gA1 PRO 259 HB3 -0.51 -0.07 0.13 -0.04 2.02 1.54 2d1gA1 PRO 259 HG2 -0.23 0.11 0.09 -0.04 2.03 1.96 2d1gA1 PRO 259 HG3 -0.41 0.02 0.05 -0.04 2.03 1.65 2d1gA1 PRO 259 HD2 0.10 0.01 0.23 -0.04 3.68 3.98 2d1gA1 PRO 259 HD3 0.02 0.28 0.37 -0.04 3.65 4.27 2d1gA1 THR 260 H -0.10 0.29 0.52 -0.55 8.28 8.44 2d1gA1 THR 260 HA 0.00 0.15 0.78 -0.75 4.39 4.57 2d1gA1 THR 260 HB -0.01 0.04 0.09 -0.04 4.32 4.40 2d1gA1 THR 260 HG23 0.00 0.01 0.02 -0.04 1.22 1.22 2d1gA1 SER 261 H -0.12 0.38 0.21 -0.55 8.46 8.38 2d1gA1 SER 261 HA 0.06 0.11 0.34 -0.75 4.49 4.25 2d1gA1 SER 261 HB2 0.02 0.03 0.11 -0.04 3.95 4.06 2d1gA1 SER 261 HB3 0.00 0.14 0.04 -0.04 3.93 4.08 2d1gA1 TYR 262 H 0.15 0.23 0.15 -0.55 8.29 8.27 2d1gA1 TYR 262 HA -0.03 0.24 0.82 -0.75 4.56 4.83 2d1gA1 TYR 262 HB2 -0.02 -0.09 0.06 -0.04 3.06 2.96 2d1gA1 TYR 262 HB3 -0.03 0.25 -0.16 -0.04 2.98 2.99 2d1gA1 TYR 262 HD2 -0.03 -0.05 -0.46 -0.04 7.15 6.58 2d1gA1 TYR 262 HE2 0.02 0.04 -0.05 -0.04 6.85 6.81 2d1gA1 SER 263 H 0.02 0.63 0.03 -0.55 8.46 8.59 2d1gA1 SER 263 HA 0.03 0.09 0.82 -0.75 4.49 4.68 2d1gA1 SER 263 HB2 -0.01 0.02 0.01 -0.04 3.95 3.93 2d1gA1 SER 263 HB3 -0.01 0.02 0.14 -0.04 3.93 4.05 2d1gA1 GLY 264 H 0.03 0.18 0.00 -0.55 8.43 8.09 2d1gA1 GLY 264 HA2 -0.00 0.05 0.30 -0.51 4.01 3.84 2d1gA1 GLY 264 HA3 -0.00 0.02 0.61 -0.51 4.01 4.13 2d1gA1 LYS 265 H -0.02 0.13 0.17 -0.55 8.42 8.14 2d1gA1 LYS 265 HA -0.03 0.18 0.62 -0.75 4.32 4.35 2d1gA1 THR 266 H 0.05 0.37 -0.23 -0.55 8.28 7.92 2d1gA1 THR 266 HA 0.15 0.06 0.66 -0.75 4.39 4.51 2d1gA1 THR 266 HB 0.00 0.08 0.17 -0.04 4.32 4.53 2d1gA1 THR 266 HG23 -0.01 0.02 -0.07 -0.04 1.22 1.12 2d1gA1 ALA 267 H 0.00 0.11 0.21 -0.55 8.40 8.18 2d1gA1 ALA 267 HA -1.09 0.13 0.66 -0.75 4.34 3.29 2d1gA1 ALA 267 HB3 -0.51 0.06 0.01 -0.04 1.41 0.93 2d1gA1 ILE 268 H -0.45 0.73 0.36 -0.55 8.25 8.34 2d1gA1 ILE 268 HA -0.17 0.17 0.81 -0.75 4.18 4.23 2d1gA1 ILE 268 HB -0.12 -0.07 0.05 -0.04 1.89 1.71 2d1gA1 ILE 268 HG12 -0.12 -0.00 -0.39 -0.04 1.49 0.93 2d1gA1 ILE 268 HG13 -0.06 -0.03 -0.20 -0.04 1.21 0.88 2d1gA1 ILE 268 HG23 -0.07 -0.01 -0.07 -0.04 0.93 0.74 2d1gA1 ILE 268 HD13 -0.06 0.13 -0.21 -0.04 0.88 0.70 2d1gA1 CYS 269 H -0.16 0.22 0.05 -0.55 8.50 8.06 2d1gA1 CYS 269 HA -0.16 0.09 0.99 -0.75 4.58 4.76 2d1gA1 CYS 269 HB2 -0.05 -0.01 0.22 -0.04 2.97 3.08 2d1gA1 CYS 269 HB3 -0.09 0.11 0.12 -0.04 2.97 3.07 2d1gA1 ASP 270 H -0.06 0.17 0.07 -0.55 8.40 8.04 2d1gA1 ASP 270 HA -0.01 0.18 0.72 -0.75 4.63 4.77 2d1gA1 ASP 270 HB2 -0.03 0.02 0.04 -0.04 2.71 2.71 2d1gA1 ASP 270 HB3 -0.02 0.06 0.14 -0.04 2.70 2.84 2d1gA1 ALA 271 H 0.00 0.06 -0.07 -0.55 8.40 7.84 2d1gA1 ALA 271 HA 0.01 0.07 0.48 -0.75 4.34 4.15 2d1gA1 ALA 271 HB3 0.05 0.01 0.12 -0.04 1.41 1.55 2d1gA1 MET 272 H -0.00 0.23 0.30 -0.55 8.47 8.46 2d1gA1 MET 272 HA -0.01 0.16 0.99 -0.75 4.52 4.91 2d1gA1 MET 272 HB2 -0.02 -0.05 0.03 -0.04 2.15 2.07 2d1gA1 MET 272 HB3 -0.03 0.03 -0.01 -0.04 2.03 1.98 2d1gA1 MET 272 HG2 -0.01 0.14 -0.61 -0.04 2.63 2.11 2d1gA1 MET 272 HG3 -0.01 -0.00 -0.08 -0.04 2.56 2.43 2d1gA1 MET 272 HE3 -0.01 -0.01 -0.12 -0.04 2.10 1.92 2d1gA1 SER 273 H -0.07 0.59 0.31 -0.55 8.46 8.76 2d1gA1 SER 273 HA -0.20 0.16 0.71 -0.75 4.49 4.41 2d1gA1 SER 273 HB2 -0.58 -0.07 -0.07 -0.04 3.95 3.19 2d1gA1 SER 273 HB3 -1.15 0.06 0.01 -0.04 3.93 2.82 2d1gA1 THR 274 H -0.25 0.20 0.13 -0.55 8.28 7.82 2d1gA1 THR 274 HA -0.03 0.25 0.79 -0.75 4.39 4.65 2d1gA1 THR 274 HB -0.05 -0.02 0.08 -0.04 4.32 4.29 2d1gA1 THR 274 HG23 0.01 0.07 -0.27 -0.04 1.22 1.00 2d1gA1 ASN 275 H 0.10 0.68 0.15 -0.55 8.53 8.91 2d1gA1 ASN 275 HA 0.29 0.12 0.56 -0.75 4.76 4.98 2d1gA1 ASN 275 HB2 0.23 -0.09 0.19 -0.04 2.88 3.16 2d1gA1 ASN 275 HB3 0.28 0.23 0.18 -0.04 2.79 3.43 2d1gA1 ASN 275 HD21 0.21 0.04 -0.19 -0.04 7.03 7.04 2d1gA1 ASN 275 HD22 0.20 0.27 -0.42 -0.04 7.74 7.76 2d1gA1 LYS 276 H 0.06 0.13 0.13 -0.55 8.42 8.18 2d1gA1 LYS 276 HA -0.07 0.15 0.29 -0.75 4.32 3.94 2d1gA1 LYS 276 HB2 -0.28 -0.07 0.08 -0.04 1.87 1.56 2d1gA1 LYS 276 HB3 -0.36 0.08 0.05 -0.04 1.79 1.52 2d1gA1 LYS 276 HG2 -0.06 0.06 0.02 -0.04 1.46 1.43 2d1gA1 LYS 276 HG3 0.01 -0.04 0.02 -0.04 1.46 1.41 2d1gA1 LYS 276 HD2 -0.07 -0.17 -0.10 -0.04 1.69 1.31 2d1gA1 LYS 276 HD3 -0.11 0.07 -0.03 -0.04 1.68 1.57 2d1gA1 LYS 276 HE2 0.02 -0.05 -0.12 -0.04 2.99 2.80 2d1gA1 LYS 276 HE3 -0.02 0.11 -0.12 -0.04 2.99 2.91 2d1gA1 PHE 277 H 0.13 0.01 -0.38 -0.55 8.34 7.54 2d1gA1 PHE 277 HA 0.03 0.26 0.78 -0.75 4.62 4.93 2d1gA1 PHE 277 HB2 0.03 -0.01 -0.00 -0.04 3.15 3.13 2d1gA1 PHE 277 HB3 0.03 0.04 0.15 -0.04 3.06 3.24 2d1gA1 PHE 277 HD2 0.01 0.00 -0.07 -0.04 7.28 7.19 2d1gA1 PHE 277 HE2 -0.01 0.10 -0.23 -0.04 7.38 7.21 2d1gA1 PHE 277 HZ -0.02 0.21 -0.20 -0.04 7.32 7.27 2d1gA1 GLY 278 H 0.07 0.45 -0.42 -0.55 8.43 7.98 2d1gA1 GLY 278 HA2 0.05 0.04 0.20 -0.51 4.01 3.80 2d1gA1 GLY 278 HA3 0.07 0.11 0.45 -0.51 4.01 4.13 2d1gA1 VAL 279 H 0.15 -0.03 -0.36 -0.55 8.24 7.44 2d1gA1 VAL 279 HA 0.08 0.11 0.57 -0.75 4.13 4.14 2d1gA1 VAL 279 HB 0.16 -0.06 0.11 -0.04 2.12 2.29 2d1gA1 VAL 279 HG13 0.12 0.06 -0.07 -0.04 0.97 1.04 2d1gA1 VAL 279 HG23 0.12 0.04 -0.04 -0.04 0.95 1.03 2d1gA1 LYS 280 H 0.05 0.17 0.25 -0.55 8.42 8.33 2d1gA1 LYS 280 HA 0.01 0.27 0.91 -0.75 4.32 4.76 2d1gA1 LYS 280 HB2 0.01 0.02 0.05 -0.04 1.87 1.91 2d1gA1 LYS 280 HB3 0.01 -0.02 0.10 -0.04 1.79 1.84 2d1gA1 SER 281 H 0.00 0.54 0.37 -0.55 8.46 8.83 2d1gA1 SER 281 HA -0.04 0.11 0.50 -0.75 4.49 4.31 2d1gA1 SER 281 HB2 -0.21 0.01 0.09 -0.04 3.95 3.79 2d1gA1 SER 281 HB3 0.00 0.09 -0.15 -0.04 3.93 3.83 2d1gA1 ARG 282 H -0.08 0.18 0.12 -0.55 8.46 8.12 2d1gA1 ARG 282 HA -0.01 0.21 0.66 -0.75 4.34 4.45 2d1gA1 ARG 282 HB2 -0.01 0.08 0.08 -0.04 1.90 2.01 2d1gA1 ARG 282 HB3 -0.04 0.07 0.08 -0.04 1.80 1.87 2d1gA1 ARG 282 HG2 -0.17 -0.12 0.13 -0.04 1.67 1.47 2d1gA1 ARG 282 HG3 -0.16 -0.08 -0.09 -0.04 1.67 1.30 2d1gA1 ARG 282 HD2 -0.10 0.28 0.25 -0.04 3.22 3.61 2d1gA1 ARG 282 HD3 -0.08 0.11 0.17 -0.04 3.22 3.39 2d1gA1 ASP 283 H 0.05 0.59 0.17 -0.55 8.40 8.66 2d1gA1 ASP 283 HA 0.11 -0.17 0.50 -0.75 4.63 4.32 2d1gA1 ASP 283 HB2 0.12 0.07 0.02 -0.04 2.71 2.87 2d1gA1 ASP 283 HB3 0.16 -0.10 -0.29 -0.04 2.70 2.43 2d1gA1 TYR 284 H 0.17 0.14 -0.07 -0.55 8.29 7.98 2d1gA1 TYR 284 HA 0.10 0.26 0.56 -0.75 4.56 4.72 2d1gA1 TYR 284 HB2 0.08 0.05 -0.13 -0.04 3.06 3.03 2d1gA1 TYR 284 HB3 0.02 0.02 0.03 -0.04 2.98 3.00 2d1gA1 TYR 284 HD2 0.14 0.06 -0.24 -0.04 7.15 7.07 2d1gA1 TYR 284 HE2 0.33 -0.04 -0.17 -0.04 6.85 6.93 2d1gA1 ILE 285 H -0.41 0.22 0.00 -0.55 8.25 7.51 2d1gA1 ILE 285 HA -0.32 0.31 0.85 -0.75 4.18 4.26 2d1gA1 ILE 285 HB -0.44 -0.02 0.09 -0.04 1.89 1.49 2d1gA1 ILE 285 HG12 -0.29 0.14 -0.18 -0.04 1.49 1.12 2d1gA1 ILE 285 HG13 -0.17 0.03 -0.44 -0.04 1.21 0.60 2d1gA1 ILE 285 HG23 -1.01 -0.04 -0.11 -0.04 0.93 -0.27 2d1gA1 ILE 285 HD13 -0.23 -0.02 -0.06 -0.04 0.88 0.53 2d1gA1 PRO 286 HA -0.34 0.04 0.32 -0.51 4.44 3.95 2d1gA1 PRO 286 HB2 -0.05 0.03 0.02 -0.04 2.28 2.25 2d1gA1 PRO 286 HB3 0.02 -0.01 -0.08 -0.04 2.02 1.91 2d1gA1 PRO 286 HG2 -0.02 0.28 -0.16 -0.04 2.03 2.10 2d1gA1 PRO 286 HG3 0.16 -0.07 -0.31 -0.04 2.03 1.76 2d1gA1 PRO 286 HD2 -0.13 0.22 0.17 -0.04 3.68 3.90 2d1gA1 PRO 286 HD3 -0.20 0.21 -0.16 -0.04 3.65 3.46 2d1gA1 HIS 287 H -0.03 0.18 -0.20 -0.55 8.41 7.81 2d1gA1 HIS 287 HA 0.20 0.16 0.37 -0.75 4.63 4.60 2d1gA1 HIS 287 HB2 0.16 0.08 -0.04 -0.04 3.26 3.43 2d1gA1 HIS 287 HB3 0.03 0.04 -0.08 -0.04 3.20 3.15 2d1gA1 HIS 287 HD2 -0.12 0.06 -0.03 -0.04 6.97 6.83 2d1gA1 HIS 287 HE1 0.24 -0.09 -0.07 -0.04 7.75 7.79 2d1gA1 HIS 288 H -0.20 0.39 -0.71 -0.55 8.41 7.36 2d1gA1 HIS 288 HA 0.04 0.12 0.72 -0.75 4.63 4.76 2d1gA1 HIS 288 HB2 -0.04 0.21 0.05 -0.04 3.26 3.45 2d1gA1 HIS 288 HB3 0.21 -0.02 0.12 -0.04 3.20 3.46 2d1gA1 HIS 288 HD2 0.00 0.05 -0.02 -0.04 6.97 6.96 2d1gA1 HIS 288 HE1 0.16 -0.08 -0.08 -0.04 7.75 7.69 2d1gA1 GLU 289 H 0.09 0.58 -0.16 -0.55 8.60 8.55 2d1gA1 GLU 289 HA -0.52 0.15 0.72 -0.75 4.29 3.89 2d1gA1 GLU 289 HB2 0.11 0.05 0.08 -0.04 2.09 2.30 2d1gA1 GLU 289 HB3 0.07 -0.05 0.19 -0.04 1.99 2.15 2d1gA1 GLU 289 HG2 0.25 0.02 -0.05 -0.04 2.34 2.52 2d1gA1 GLU 289 HG3 0.48 0.01 -0.04 -0.04 2.34 2.75 2d1gA1 PRO 290 HA 0.09 0.13 0.18 -0.51 4.44 4.33 2d1gA1 PRO 290 HB2 -0.38 -0.00 -0.16 -0.04 2.28 1.70 2d1gA1 PRO 290 HB3 -0.26 -0.02 -0.31 -0.04 2.02 1.39 2d1gA1 PRO 290 HG2 -1.36 -0.05 0.05 -0.04 2.03 0.63 2d1gA1 PRO 290 HG3 -0.78 0.11 0.03 -0.04 2.03 1.35 2d1gA1 PRO 290 HD2 -2.44 0.06 0.23 -0.04 3.68 1.49 2d1gA1 PRO 290 HD3 -0.75 0.36 0.04 -0.04 3.65 3.25 2d1gA1 PHE 291 H -0.42 0.17 -0.14 -0.55 8.34 7.40 2d1gA1 PHE 291 HA 0.15 0.00 0.38 -0.75 4.62 4.40 2d1gA1 PHE 291 HB2 -0.11 0.02 0.05 -0.04 3.15 3.07 2d1gA1 PHE 291 HB3 0.05 0.28 0.09 -0.04 3.06 3.43 2d1gA1 PHE 291 HD2 -0.24 -0.02 0.05 -0.04 7.28 7.03 2d1gA1 PHE 291 HE2 -0.23 -0.15 0.02 -0.04 7.38 6.98 2d1gA1 PHE 291 HZ -0.28 0.02 -0.02 -0.04 7.32 7.00 2d1gA1 ASN 292 H 0.12 0.22 -0.46 -0.55 8.53 7.86 2d1gA1 ASN 292 HA 0.16 0.15 0.47 -0.75 4.76 4.79 2d1gA1 ASN 292 HB2 0.05 0.13 0.00 -0.04 2.88 3.02 2d1gA1 ASN 292 HB3 0.04 0.00 -0.11 -0.04 2.79 2.69 2d1gA1 ASN 292 HD21 0.22 0.03 0.00 -0.04 7.03 7.24 2d1gA1 ASN 292 HD22 0.21 -0.02 -0.01 -0.04 7.74 7.89 2d1gA1 TYR 293 H 0.45 0.46 -0.46 -0.55 8.29 8.19 2d1gA1 TYR 293 HA 0.10 0.05 0.75 -0.75 4.56 4.70 2d1gA1 TYR 293 HB2 -0.13 0.20 0.06 -0.04 3.06 3.15 2d1gA1 TYR 293 HB3 -0.33 -0.15 0.01 -0.04 2.98 2.47 2d1gA1 TYR 293 HD2 -0.05 0.01 -0.11 -0.04 7.15 6.97 2d1gA1 TYR 293 HE2 -0.01 0.03 -0.32 -0.04 6.85 6.51 2d1gA1 TRP 294 H 0.60 0.38 -0.23 -0.55 7.97 8.17 2d1gA1 TRP 294 HA 0.11 0.20 0.97 -0.75 4.62 5.14 2d1gA1 TRP 294 HB2 0.12 0.11 0.14 -0.04 3.23 3.55 2d1gA1 TRP 294 HB3 0.14 -0.15 -0.03 -0.04 3.23 3.15 2d1gA1 TRP 294 HD1 0.22 -0.02 -0.03 -0.04 7.22 7.35 2d1gA1 TRP 294 HE1 0.08 0.58 -0.11 -0.04 10.20 10.71 2d1gA1 TRP 294 HE3 0.07 0.06 -0.01 -0.04 7.59 7.66 2d1gA1 TRP 294 HZ2 0.02 0.09 -0.26 -0.04 7.44 7.25 2d1gA1 TRP 294 HZ3 -0.18 0.04 -0.12 -0.04 7.13 6.83 2d1gA1 TRP 294 HH2 -0.09 0.05 -0.07 -0.04 7.19 7.04 2d1gA1 LYS 295 H -0.08 0.22 0.10 -0.55 8.42 8.10 2d1gA1 LYS 295 HA -1.03 0.09 0.37 -0.75 4.32 3.00 2d1gA1 LYS 295 HB2 -0.68 0.01 0.12 -0.04 1.87 1.28 2d1gA1 LYS 295 HB3 -0.17 -0.05 0.11 -0.04 1.79 1.64 2d1gA1 LYS 295 HG2 -0.21 0.03 -0.14 -0.04 1.46 1.10 2d1gA1 LYS 295 HG3 -0.66 0.01 0.05 -0.04 1.46 0.82 2d1gA1 LYS 295 HD2 -0.02 -0.04 0.01 -0.04 1.69 1.60 2d1gA1 LYS 295 HD3 -0.04 -0.06 0.00 -0.04 1.68 1.53 2d1gA1 LYS 295 HE2 0.01 0.01 0.02 -0.04 2.99 2.99 2d1gA1 LYS 295 HE3 0.07 0.08 0.02 -0.04 2.99 3.11 2d1gA1 GLU 296 H 0.14 0.02 -0.18 -0.55 8.60 8.03 2d1gA1 GLU 296 HA 0.02 0.09 0.27 -0.75 4.29 3.92 2d1gA1 GLU 296 HB2 0.23 -0.01 0.08 -0.04 2.09 2.34 2d1gA1 GLU 296 HB3 0.27 -0.07 0.02 -0.04 1.99 2.17 2d1gA1 GLU 296 HG2 -0.05 0.08 -0.15 -0.04 2.34 2.17 2d1gA1 GLU 296 HG3 0.08 0.02 0.02 -0.04 2.34 2.43 2d1gA1 THR 297 H 0.10 0.14 -0.31 -0.55 8.28 7.66 2d1gA1 THR 297 HA -0.01 0.21 0.76 -0.75 4.39 4.60 2d1gA1 THR 297 HB 0.15 -0.00 0.17 -0.04 4.32 4.59 2d1gA1 THR 297 HG23 -0.52 -0.06 -0.12 -0.04 1.22 0.47 2d1gA1 SER 298 H -0.01 0.36 -0.24 -0.55 8.46 8.03 2d1gA1 SER 298 HA 0.07 0.01 0.42 -0.75 4.49 4.24 2d1gA1 SER 298 HB2 0.06 0.05 0.13 -0.04 3.95 4.15 2d1gA1 SER 298 HB3 0.05 0.15 0.04 -0.04 3.93 4.13 2d1gA1 ASN 299 H 0.03 0.11 0.03 -0.55 8.53 8.16 2d1gA1 ASN 299 HA -0.02 0.21 0.70 -0.75 4.76 4.89 2d1gA1 ASN 299 HB2 -0.08 0.34 0.01 -0.04 2.88 3.11 2d1gA1 ASN 299 HB3 0.11 -0.11 0.21 -0.04 2.79 2.97 2d1gA1 ASN 299 HD21 0.15 0.23 0.04 -0.04 7.03 7.42 2d1gA1 ASN 299 HD22 -0.02 0.25 0.18 -0.04 7.74 8.12 2d1gA1 PRO 300 HA -0.06 0.13 0.20 -0.51 4.44 4.20 2d1gA1 PRO 300 HB2 -0.89 -0.01 -0.10 -0.04 2.28 1.23 2d1gA1 PRO 300 HB3 -0.66 -0.00 -0.20 -0.04 2.02 1.11 2d1gA1 PRO 300 HG2 -0.57 -0.02 0.03 -0.04 2.03 1.43 2d1gA1 PRO 300 HG3 -0.46 0.09 -0.01 -0.04 2.03 1.61 2d1gA1 PRO 300 HD2 -0.11 0.19 0.04 -0.04 3.68 3.75 2d1gA1 PRO 300 HD3 -0.13 0.19 -0.17 -0.04 3.65 3.50 2d1gA1 HIS 301 H -0.08 0.18 -0.18 -0.55 8.41 7.79 2d1gA1 HIS 301 HA 0.11 0.06 0.78 -0.75 4.63 4.84 2d1gA1 HIS 301 HB2 0.14 -0.01 0.03 -0.04 3.26 3.38 2d1gA1 HIS 301 HB3 0.25 0.11 0.18 -0.04 3.20 3.69 2d1gA1 HIS 301 HD2 0.10 0.03 0.01 -0.04 6.97 7.07 2d1gA1 HIS 301 HE1 0.27 -0.02 -0.07 -0.04 7.75 7.90 2d1gA1 HIS 302 H 0.18 0.41 -0.40 -0.55 8.41 8.05 2d1gA1 HIS 302 HA -0.00 0.13 0.29 -0.75 4.63 4.29 2d1gA1 HIS 302 HB2 -0.25 0.04 -0.20 -0.04 3.26 2.81 2d1gA1 HIS 302 HB3 -0.40 0.03 0.23 -0.04 3.20 3.02 2d1gA1 HIS 302 HD2 -0.24 0.07 -0.14 -0.04 6.97 6.61 2d1gA1 HIS 302 HE1 -1.57 -0.06 -0.06 -0.04 7.75 6.01 2d1gA1 LEU 303 H 0.18 -0.02 -0.27 -0.55 8.37 7.72 2d1gA1 LEU 303 HA 0.18 0.05 0.42 -0.75 4.35 4.25 2d1gA1 LEU 303 HB2 0.07 0.07 -0.16 -0.04 1.64 1.59 2d1gA1 LEU 303 HB3 0.06 0.01 -0.05 -0.04 1.64 1.62 2d1gA1 LEU 303 HG 0.20 -0.13 -0.13 -0.04 1.64 1.54 2d1gA1 LEU 303 HD13 0.08 0.02 -0.01 -0.04 0.93 0.98 2d1gA1 LEU 303 HD23 0.07 0.02 -0.05 -0.04 0.89 0.90 2d1gA1 ALA 304 H 0.10 0.07 0.12 -0.55 8.40 8.14 2d1gA1 ALA 304 HA 0.16 0.09 0.47 -0.75 4.34 4.31 2d1gA1 ALA 304 HB3 0.09 0.00 0.06 -0.04 1.41 1.52 2d1gA1 PRO 305 HA 0.05 -0.04 0.49 -0.51 4.44 4.42 2d1gA1 PRO 305 HB2 0.03 -0.03 -0.24 -0.04 2.28 2.00 2d1gA1 PRO 305 HB3 0.05 0.07 -0.10 -0.04 2.02 2.00 2d1gA1 PRO 305 HG2 0.01 0.01 -0.02 -0.04 2.03 1.99 2d1gA1 PRO 305 HG3 0.24 0.07 -0.01 -0.04 2.03 2.29 2d1gA1 PRO 305 HD2 0.11 0.06 0.13 -0.04 3.68 3.95 2d1gA1 PRO 305 HD3 0.23 0.18 0.16 -0.04 3.65 4.17 2d1gA1 SER 306 H -0.08 0.07 0.11 -0.55 8.46 8.02 2d1gA1 SER 306 HA -0.08 0.12 0.43 -0.75 4.49 4.21 2d1gA1 SER 306 HB2 -0.24 0.05 0.09 -0.04 3.95 3.81 2d1gA1 SER 306 HB3 -0.23 -0.08 0.16 -0.04 3.93 3.74 2d1gA1 ASP 307 H 0.02 0.17 -0.23 -0.55 8.40 7.80 2d1gA1 ASP 307 HA 0.02 0.18 0.31 -0.75 4.63 4.39 2d1gA1 ASP 307 HB2 0.04 0.21 -0.14 -0.04 2.71 2.78 2d1gA1 ASP 307 HB3 0.20 -0.09 -0.13 -0.04 2.70 2.64 2d1gA1 ASP 308 H 0.03 0.22 0.07 -0.55 8.40 8.17 2d1gA1 ASP 308 HA -0.01 0.06 0.35 -0.75 4.63 4.29 2d1gA1 ASP 308 HB2 0.01 0.00 0.06 -0.04 2.71 2.74 2d1gA1 ASP 308 HB3 -0.01 0.10 -0.07 -0.04 2.70 2.68 2d1gA1 LYS 309 H 0.04 0.04 -0.28 -0.55 8.42 7.66 2d1gA1 LYS 309 HA -0.04 0.17 0.29 -0.75 4.32 3.98 2d1gA1 LYS 309 HB2 0.06 -0.08 -0.03 -0.04 1.87 1.78 2d1gA1 LYS 309 HB3 -0.09 0.08 -0.02 -0.04 1.79 1.71 2d1gA1 LYS 309 HG2 -0.02 0.10 0.01 -0.04 1.46 1.51 2d1gA1 LYS 309 HG3 0.01 -0.09 0.00 -0.04 1.46 1.34 2d1gA1 LYS 309 HD2 0.02 -0.04 -0.02 -0.04 1.69 1.61 2d1gA1 LYS 309 HD3 -0.02 0.04 -0.02 -0.04 1.68 1.64 2d1gA1 LYS 309 HE2 0.01 -0.01 -0.01 -0.04 2.99 2.93 2d1gA1 LYS 309 HE3 -0.01 0.05 -0.01 -0.04 2.99 2.99 2d1gA1 TYR 310 H 0.15 0.25 -0.62 -0.55 8.29 7.52 2d1gA1 TYR 310 HA -0.11 0.20 0.55 -0.75 4.56 4.45 2d1gA1 TYR 310 HB2 -0.07 -0.07 0.02 -0.04 3.06 2.89 2d1gA1 TYR 310 HB3 -0.12 -0.07 -0.05 -0.04 2.98 2.69 2d1gA1 TYR 310 HD2 -0.11 -0.03 -0.20 -0.04 7.15 6.77 2d1gA1 TYR 310 HE2 -0.06 -0.01 -0.21 -0.04 6.85 6.53 2d1gA1 ILE 311 H -0.05 0.48 -0.27 -0.55 8.25 7.86 2d1gA1 ILE 311 HA -0.28 -0.08 0.41 -0.75 4.18 3.47 2d1gA1 ILE 311 HB -0.13 0.14 0.09 -0.04 1.89 1.95 2d1gA1 ILE 311 HG12 -0.30 -0.09 -0.01 -0.04 1.49 1.05 2d1gA1 ILE 311 HG13 -0.10 0.00 0.09 -0.04 1.21 1.16 2d1gA1 ILE 311 HG23 -0.39 0.01 -0.20 -0.04 0.93 0.30 2d1gA1 ILE 311 HD13 -0.08 0.04 0.04 -0.04 0.88 0.84 2d1gA1 GLY 312 H -0.09 0.08 0.17 -0.55 8.43 8.04 2d1gA1 GLY 312 HA2 0.04 0.22 0.39 -0.51 4.01 4.15 2d1gA1 GLY 312 HA3 0.04 0.13 0.65 -0.51 4.01 4.32 2d1gA1 SER 313 H -0.21 0.41 -0.48 -0.55 8.46 7.63 2d1gA1 SER 313 HA -1.07 0.16 0.73 -0.75 4.49 3.55 2d1gA1 SER 313 HB2 -0.29 0.03 0.07 -0.04 3.95 3.73 2d1gA1 SER 313 HB3 -0.56 0.17 0.38 -0.04 3.93 3.89 2d1gA1 ASN 314 H -0.66 0.54 0.29 -0.55 8.53 8.15 2d1gA1 ASN 314 HA -0.31 0.09 0.77 -0.75 4.76 4.55 2d1gA1 ASN 314 HB2 -0.12 0.13 0.25 -0.04 2.88 3.10 2d1gA1 ASN 314 HB3 -0.01 -0.02 0.05 -0.04 2.79 2.77 2d1gA1 ASN 314 HD21 0.18 -0.02 -0.04 -0.04 7.03 7.11 2d1gA1 ASN 314 HD22 0.13 0.00 -0.03 -0.04 7.74 7.80 2d1gA1 ASP 315 H -0.23 0.28 0.27 -0.55 8.40 8.18 2d1gA1 ASP 315 HA -0.12 0.20 0.29 -0.75 4.63 4.25 2d1gA1 ASP 315 HB2 -0.24 -0.06 0.27 -0.04 2.71 2.63 2d1gA1 ASP 315 HB3 -0.26 0.25 0.15 -0.04 2.70 2.80 2d1gA1 GLN 316 H -0.11 0.15 0.16 -0.55 8.47 8.12 2d1gA1 GLN 316 HA -0.05 0.13 0.31 -0.75 4.36 3.99 2d1gA1 GLN 316 HB2 -0.01 0.02 0.07 -0.04 2.15 2.19 2d1gA1 GLN 316 HB3 -0.05 0.00 0.15 -0.04 2.02 2.08 2d1gA1 GLN 316 HG2 -0.06 -0.20 0.06 -0.04 2.40 2.16 2d1gA1 GLN 316 HG3 -0.02 0.17 -0.25 -0.04 2.39 2.26 2d1gA1 GLN 316 HE21 -0.02 -0.06 -0.07 -0.04 6.97 6.78 2d1gA1 GLN 316 HE22 -0.00 0.48 -0.17 -0.04 7.69 7.96 2d1gA1 ALA 317 H -0.10 -0.07 -0.40 -0.55 8.40 7.28 2d1gA1 ALA 317 HA -0.07 0.21 0.28 -0.75 4.34 4.01 2d1gA1 ALA 317 HB3 -0.15 0.00 -0.16 -0.04 1.41 1.06 2d1gA1 ASN 318 H -0.21 0.41 -0.25 -0.55 8.53 7.93 2d1gA1 ASN 318 HA -0.18 0.00 0.31 -0.75 4.76 4.13 2d1gA1 ASN 318 HB2 -0.08 0.02 -0.05 -0.04 2.88 2.73 2d1gA1 ASN 318 HB3 -0.12 0.13 -0.09 -0.04 2.79 2.68 2d1gA1 ASN 318 HD21 -0.01 0.34 0.24 -0.04 7.03 7.55 2d1gA1 ASN 318 HD22 -0.04 0.43 -0.12 -0.04 7.74 7.97 2d1gA1 HIS 319 H -0.75 -0.00 -0.28 -0.55 8.41 6.84 2d1gA1 HIS 319 HA -0.98 -0.03 0.31 -0.75 4.63 3.17 2d1gA1 HIS 319 HB2 -1.59 0.18 -0.03 -0.04 3.26 1.78 2d1gA1 HIS 319 HB3 -2.31 -0.06 0.12 -0.04 3.20 0.91 2d1gA1 HIS 319 HD2 -0.28 -0.02 -0.30 -0.04 6.97 6.33 2d1gA1 HIS 319 HE1 -0.14 0.12 -0.10 -0.04 7.75 7.58 2d1gA1 GLN 320 H -0.78 0.52 -0.51 -0.55 8.47 7.16 2d1gA1 GLN 320 HA -0.63 0.09 1.06 -0.75 4.36 4.13 2d1gA1 GLN 320 HB2 -0.30 0.06 0.13 -0.04 2.15 2.00 2d1gA1 GLN 320 HB3 -0.46 -0.10 0.05 -0.04 2.02 1.46 2d1gA1 GLN 320 HG2 -0.24 0.32 -0.13 -0.04 2.40 2.31 2d1gA1 GLN 320 HG3 -0.06 -0.19 -0.01 -0.04 2.39 2.10 2d1gA1 GLN 320 HE21 0.16 -0.12 0.05 -0.04 6.97 7.02 2d1gA1 GLN 320 HE22 -0.06 -0.05 0.04 -0.04 7.69 7.57 2d1gA1 TYR 321 H -0.63 0.65 0.35 -0.55 8.29 8.11 2d1gA1 TYR 321 HA -0.36 0.19 0.91 -0.75 4.56 4.55 2d1gA1 TYR 321 HB2 -0.61 0.01 -0.08 -0.04 3.06 2.35 2d1gA1 TYR 321 HB3 -0.06 -0.04 -0.00 -0.04 2.98 2.85 2d1gA1 TYR 321 HD2 -0.83 0.02 -0.16 -0.04 7.15 6.15 2d1gA1 TYR 321 HE2 -0.36 0.08 -0.00 -0.04 6.85 6.53 2d1gA1 ASP 322 H 0.25 0.19 0.12 -0.55 8.40 8.41 2d1gA1 ASP 322 HA 0.32 0.23 0.81 -0.75 4.63 5.24 2d1gA1 ASP 322 HB2 0.32 0.14 0.11 -0.04 2.71 3.25 2d1gA1 ASP 322 HB3 0.24 -0.01 0.07 -0.04 2.70 2.95 2d1gA1 ILE 323 H 0.26 0.37 -0.06 -0.55 8.25 8.27 2d1gA1 ILE 323 HA 0.25 0.10 0.15 -0.75 4.18 3.93 2d1gA1 ILE 323 HB 0.25 0.06 -0.29 -0.04 1.89 1.86 2d1gA1 ILE 323 HG12 0.66 0.03 -0.11 -0.04 1.49 2.03 2d1gA1 ILE 323 HG13 0.41 -0.02 -0.21 -0.04 1.21 1.34 2d1gA1 ILE 323 HG23 0.32 -0.01 -0.06 -0.04 0.93 1.14 2d1gA1 ILE 323 HD13 0.09 0.03 -0.07 -0.04 0.88 0.89 2d1gA1 SER 324 H 0.26 0.04 -0.33 -0.55 8.46 7.89 2d1gA1 SER 324 HA 0.42 0.07 0.30 -0.75 4.49 4.53 2d1gA1 SER 324 HB2 0.20 0.06 -0.00 -0.04 3.95 4.17 2d1gA1 SER 324 HB3 0.23 0.01 0.05 -0.04 3.93 4.17 2d1gA1 GLU 325 H 0.21 0.47 -0.44 -0.55 8.60 8.30 2d1gA1 GLU 325 HA 0.05 0.04 0.39 -0.75 4.29 4.02 2d1gA1 GLU 325 HB2 0.18 0.08 -0.06 -0.04 2.09 2.25 2d1gA1 GLU 325 HB3 -0.10 -0.00 0.02 -0.04 1.99 1.87 2d1gA1 GLU 325 HG2 0.20 -0.01 0.06 -0.04 2.34 2.55 2d1gA1 GLU 325 HG3 0.20 -0.00 0.06 -0.04 2.34 2.55 2d1gA1 PHE 326 H -0.02 0.31 -0.20 -0.55 8.34 7.88 2d1gA1 PHE 326 HA -0.92 0.09 0.42 -0.75 4.62 3.45 2d1gA1 PHE 326 HB2 -1.56 -0.01 0.03 -0.04 3.15 1.57 2d1gA1 PHE 326 HB3 -1.22 0.09 0.07 -0.04 3.06 1.96 2d1gA1 PHE 326 HD2 -2.12 -0.01 -0.13 -0.04 7.28 4.99 2d1gA1 PHE 326 HE2 -0.53 0.06 -0.12 -0.04 7.38 6.75 2d1gA1 PHE 326 HZ -0.25 0.05 -0.12 -0.04 7.32 6.96 2d1gA1 TRP 327 H -0.46 0.24 -0.21 -0.55 7.97 6.99 2d1gA1 TRP 327 HA -0.28 0.06 0.30 -0.75 4.62 3.94 2d1gA1 TRP 327 HB2 -0.00 0.07 0.03 -0.04 3.23 3.29 2d1gA1 TRP 327 HB3 -0.04 0.02 -0.00 -0.04 3.23 3.16 2d1gA1 TRP 327 HD1 0.11 -0.05 -0.07 -0.04 7.22 7.17 2d1gA1 TRP 327 HE1 0.17 -0.06 -0.13 -0.04 10.20 10.14 2d1gA1 TRP 327 HE3 -0.11 -0.01 -0.09 -0.04 7.59 7.35 2d1gA1 TRP 327 HZ2 -0.12 -0.04 -0.07 -0.04 7.44 7.17 2d1gA1 TRP 327 HZ3 0.09 0.04 -0.18 -0.04 7.13 7.04 2d1gA1 TRP 327 HH2 -0.05 0.10 0.02 -0.04 7.19 7.22 2d1gA1 LYS 328 H 0.04 0.29 -0.30 -0.55 8.42 7.90 2d1gA1 LYS 328 HA 0.03 0.03 0.41 -0.75 4.32 4.03 2d1gA1 LYS 328 HB2 -0.02 0.13 0.12 -0.04 1.87 2.06 2d1gA1 LYS 328 HB3 -0.01 -0.04 -0.04 -0.04 1.79 1.67 2d1gA1 LYS 328 HG2 0.06 -0.02 -0.00 -0.04 1.46 1.45 2d1gA1 LYS 328 HG3 0.09 0.17 0.05 -0.04 1.46 1.73 2d1gA1 LYS 328 HD2 0.04 -0.02 -0.03 -0.04 1.69 1.64 2d1gA1 LYS 328 HD3 0.04 -0.04 -0.03 -0.04 1.68 1.61 2d1gA1 LYS 328 HE2 0.08 0.00 -0.06 -0.04 2.99 2.97 2d1gA1 LYS 328 HE3 0.11 0.01 -0.20 -0.04 2.99 2.86 2d1gA1 ALA 329 H -0.18 0.51 -0.15 -0.55 8.40 8.03 2d1gA1 ALA 329 HA -0.11 0.05 0.27 -0.75 4.34 3.80 2d1gA1 ALA 329 HB3 -0.23 0.09 -0.05 -0.04 1.41 1.19 2d1gA1 LEU 330 H -0.44 0.61 -0.20 -0.55 8.37 7.79 2d1gA1 LEU 330 HA -0.26 -0.03 0.38 -0.75 4.35 3.69 2d1gA1 LEU 330 HB2 -0.78 0.08 0.02 -0.04 1.64 0.92 2d1gA1 LEU 330 HB3 -0.11 0.08 0.10 -0.04 1.64 1.67 2d1gA1 LEU 330 HG -0.05 -0.05 -0.10 -0.04 1.64 1.40 2d1gA1 LEU 330 HD13 -0.23 -0.01 -0.03 -0.04 0.93 0.63 2d1gA1 LEU 330 HD23 0.19 0.01 -0.11 -0.04 0.89 0.94 2d1gA1 ASP 331 H -0.05 0.72 -0.05 -0.55 8.40 8.47 2d1gA1 ASP 331 HA -0.02 0.00 0.35 -0.75 4.63 4.22 2d1gA1 ASP 331 HB2 0.01 0.07 0.10 -0.04 2.71 2.85 2d1gA1 ASP 331 HB3 0.00 -0.06 0.06 -0.04 2.70 2.66 2d1gA1 GLN 332 H -0.06 0.34 -0.58 -0.55 8.47 7.62 2d1gA1 GLN 332 HA -0.02 0.14 0.80 -0.75 4.36 4.53 2d1gA1 GLN 332 HB2 -0.04 0.06 0.01 -0.04 2.15 2.14 2d1gA1 GLN 332 HB3 -0.02 -0.07 0.11 -0.04 2.02 2.00 2d1gA1 GLN 332 HG2 -0.01 -0.04 -0.09 -0.04 2.40 2.23 2d1gA1 GLN 332 HG3 -0.02 0.07 -0.11 -0.04 2.39 2.29 2d1gA1 GLN 332 HE21 0.00 -0.13 -0.06 -0.04 6.97 6.75 2d1gA1 GLN 332 HE22 0.00 0.01 -0.02 -0.04 7.69 7.64 2d1gA1 ASN 333 H -0.04 0.40 -0.31 -0.55 8.53 8.04 2d1gA1 ASN 333 HA -0.03 -0.01 0.34 -0.75 4.76 4.30 2d1gA1 ASN 333 HB2 -0.01 0.14 -0.11 -0.04 2.88 2.87 2d1gA1 ASN 333 HB3 0.00 -0.05 0.18 -0.04 2.79 2.89 2d1gA1 ASN 333 HD21 -0.00 -0.03 0.02 -0.04 7.03 6.98 2d1gA1 ASN 333 HD22 -0.01 -0.01 0.07 -0.04 7.74 7.74 2d1gA1 ASN 334 H -0.06 0.64 -0.21 -0.55 8.53 8.35 2d1gA1 ASN 334 HA 0.01 0.12 0.77 -0.75 4.76 4.91 2d1gA1 ASN 334 HB2 -0.05 -0.04 -0.01 -0.04 2.88 2.74 2d1gA1 ASN 334 HB3 -0.04 0.03 0.13 -0.04 2.79 2.87 2d1gA1 ASN 334 HD21 -0.03 -0.09 -0.04 -0.04 7.03 6.84 2d1gA1 ASN 334 HD22 -0.04 -0.08 -0.11 -0.04 7.74 7.48 2d1gA1 MET 335 H -0.06 0.03 -0.22 -0.55 8.47 7.66 2d1gA1 MET 335 HA -0.18 -0.02 0.20 -0.75 4.52 3.77 2d1gA1 MET 335 HB2 -0.22 -0.08 0.01 -0.04 2.15 1.81 2d1gA1 MET 335 HB3 -0.28 0.01 -0.07 -0.04 2.03 1.65 2d1gA1 MET 335 HG2 0.04 0.29 -0.21 -0.04 2.63 2.70 2d1gA1 MET 335 HG3 -0.23 -0.10 -0.08 -0.04 2.56 2.12 2d1gA1 MET 335 HE3 0.16 -0.00 -0.19 -0.04 2.10 2.02 2d1gA1 PRO 336 HA 0.16 0.05 0.40 -0.51 4.44 4.54 2d1gA1 PRO 336 HB2 0.25 -0.00 -0.42 -0.04 2.28 2.07 2d1gA1 PRO 336 HB3 0.25 -0.01 -0.29 -0.04 2.02 1.93 2d1gA1 PRO 336 HG2 0.37 -0.06 -0.12 -0.04 2.03 2.17 2d1gA1 PRO 336 HG3 0.22 0.06 -0.16 -0.04 2.03 2.11 2d1gA1 PRO 336 HD2 0.04 0.02 0.03 -0.04 3.68 3.73 2d1gA1 PRO 336 HD3 -0.10 0.12 0.07 -0.04 3.65 3.69 2d1gA1 ALA 337 H 0.10 0.15 0.21 -0.55 8.40 8.31 2d1gA1 ALA 337 HA 0.09 0.32 0.76 -0.75 4.34 4.75 2d1gA1 ALA 337 HB3 -0.25 0.02 0.17 -0.04 1.41 1.30 2d1gA1 VAL 338 H 0.02 0.46 0.12 -0.55 8.24 8.30 2d1gA1 VAL 338 HA -0.09 0.22 1.00 -0.75 4.13 4.51 2d1gA1 VAL 338 HB -0.04 -0.02 0.15 -0.04 2.12 2.17 2d1gA1 VAL 338 HG13 -0.14 -0.03 -0.15 -0.04 0.97 0.61 2d1gA1 VAL 338 HG23 -0.81 0.00 -0.18 -0.04 0.95 -0.08 2d1gA1 SER 339 H -0.00 0.68 0.29 -0.55 8.46 8.88 2d1gA1 SER 339 HA 0.37 0.20 1.09 -0.75 4.49 5.40 2d1gA1 SER 339 HB2 -0.02 0.00 0.11 -0.04 3.95 4.01 2d1gA1 SER 339 HB3 -0.13 -0.05 -0.09 -0.04 3.93 3.61 2d1gA1 TYR 340 H 0.44 0.66 0.42 -0.55 8.29 9.26 2d1gA1 TYR 340 HA -0.05 0.22 1.08 -0.75 4.56 5.06 2d1gA1 TYR 340 HB2 0.10 -0.10 0.35 -0.04 3.06 3.37 2d1gA1 TYR 340 HB3 -0.53 0.04 0.10 -0.04 2.98 2.56 2d1gA1 TYR 340 HD2 0.31 0.11 -0.00 -0.04 7.15 7.52 2d1gA1 TYR 340 HE2 0.18 0.00 -0.11 -0.04 6.85 6.89 2d1gA1 LEU 341 H -0.10 0.68 0.29 -0.55 8.37 8.69 2d1gA1 LEU 341 HA -0.13 0.29 1.09 -0.75 4.35 4.84 2d1gA1 LEU 341 HB2 -0.11 -0.00 0.02 -0.04 1.64 1.51 2d1gA1 LEU 341 HB3 0.25 -0.04 -0.09 -0.04 1.64 1.72 2d1gA1 LEU 341 HG -0.39 -0.03 -0.05 -0.04 1.64 1.13 2d1gA1 LEU 341 HD13 -1.16 0.03 -0.27 -0.04 0.93 -0.51 2d1gA1 LEU 341 HD23 -0.70 -0.00 -0.14 -0.04 0.89 0.01 2d1gA1 LYS 342 H -0.12 0.71 0.39 -0.55 8.42 8.84 2d1gA1 LYS 342 HA -0.04 0.16 0.92 -0.75 4.32 4.61 2d1gA1 LYS 342 HB2 -0.34 0.01 -0.05 -0.04 1.87 1.45 2d1gA1 LYS 342 HB3 0.02 -0.12 0.12 -0.04 1.79 1.77 2d1gA1 LYS 342 HG2 0.38 -0.03 -0.01 -0.04 1.46 1.76 2d1gA1 LYS 342 HG3 0.07 0.11 -0.04 -0.04 1.46 1.56 2d1gA1 LYS 342 HD2 0.08 0.19 0.26 -0.04 1.69 2.18 2d1gA1 LYS 342 HD3 0.46 -0.02 0.09 -0.04 1.68 2.17 2d1gA1 LYS 342 HE2 0.09 -0.07 0.04 -0.04 2.99 3.01 2d1gA1 LYS 342 HE3 0.01 -0.07 0.05 -0.04 2.99 2.94 2d1gA1 ALA 343 H -0.42 0.18 0.07 -0.55 8.40 7.68 2d1gA1 ALA 343 HA -1.71 0.02 0.32 -0.75 4.34 2.22 2d1gA1 ALA 343 HB3 -1.49 -0.00 -0.11 -0.04 1.41 -0.24 2d1gA1 PRO 344 HA 0.06 0.35 0.62 -0.51 4.44 4.96 2d1gA1 PRO 344 HB2 0.31 -0.01 -0.03 -0.04 2.28 2.50 2d1gA1 PRO 344 HB3 0.16 -0.05 0.08 -0.04 2.02 2.17 2d1gA1 PRO 344 HG2 -0.14 -0.00 0.04 -0.04 2.03 1.88 2d1gA1 PRO 344 HG3 0.18 0.07 0.06 -0.04 2.03 2.29 2d1gA1 PRO 344 HD2 -0.73 0.12 0.21 -0.04 3.68 3.23 2d1gA1 PRO 344 HD3 -0.11 0.06 0.18 -0.04 3.65 3.74 2d1gA1 GLY 345 H 0.08 0.50 0.26 -0.55 8.43 8.72 2d1gA1 GLY 345 HA2 0.16 0.03 0.22 -0.51 4.01 3.90 2d1gA1 GLY 345 HA3 0.03 0.23 0.26 -0.51 4.01 4.01 2d1gA1 TYR 346 H 0.42 0.07 -0.37 -0.55 8.29 7.86 2d1gA1 TYR 346 HA 0.24 0.26 0.11 -0.75 4.56 4.41 2d1gA1 TYR 346 HB2 0.10 0.02 0.01 -0.04 3.06 3.15 2d1gA1 TYR 346 HB3 0.09 0.03 -0.09 -0.04 2.98 2.97 2d1gA1 TYR 346 HD2 0.05 -0.09 -0.19 -0.04 7.15 6.89 2d1gA1 TYR 346 HE2 0.06 -0.01 -0.07 -0.04 6.85 6.79 2d1gA1 GLN 347 H -0.26 0.56 -0.57 -0.55 8.47 7.66 2d1gA1 GLN 347 HA -0.20 0.05 0.67 -0.75 4.36 4.12 2d1gA1 GLN 347 HB2 -0.53 0.06 -0.01 -0.04 2.15 1.62 2d1gA1 GLN 347 HB3 -0.15 -0.00 0.11 -0.04 2.02 1.93 2d1gA1 GLN 347 HG2 -0.47 0.05 -0.11 -0.04 2.40 1.84 2d1gA1 GLN 347 HG3 -1.93 -0.09 -0.26 -0.04 2.39 0.06 2d1gA1 GLN 347 HE21 0.16 0.01 -0.07 -0.04 6.97 7.03 2d1gA1 GLN 347 HE22 -0.02 0.03 -0.00 -0.04 7.69 7.66 2d1gA1 ASP 348 H -0.03 0.65 -0.09 -0.55 8.40 8.38 2d1gA1 ASP 348 HA -0.22 0.12 0.44 -0.75 4.63 4.22 2d1gA1 ASP 348 HB2 -0.05 -0.00 0.14 -0.04 2.71 2.76 2d1gA1 ASP 348 HB3 -0.06 0.12 -0.10 -0.04 2.70 2.62 2d1gA1 GLY 349 H -0.01 0.09 -0.36 -0.55 8.43 7.61 2d1gA1 GLY 349 HA2 0.09 -0.03 0.14 -0.51 4.01 3.70 2d1gA1 GLY 349 HA3 0.14 0.16 0.60 -0.51 4.01 4.39 2d1gA1 HIS 350 H 0.00 -0.01 -0.39 -0.55 8.41 7.46 2d1gA1 HIS 350 HA -0.12 0.09 0.27 -0.75 4.63 4.11 2d1gA1 HIS 350 HB2 -0.08 -0.04 -0.04 -0.04 3.26 3.07 2d1gA1 HIS 350 HB3 -0.96 -0.03 -0.01 -0.04 3.20 2.16 2d1gA1 HIS 350 HD2 0.22 -0.04 -0.06 -0.04 6.97 7.04 2d1gA1 HIS 350 HE1 0.26 -0.02 -0.05 -0.04 7.75 7.90 2d1gA1 GLY 351 H -0.16 0.12 0.10 -0.55 8.43 7.95 2d1gA1 GLY 351 HA2 -0.01 0.18 0.24 -0.51 4.01 3.91 2d1gA1 GLY 351 HA3 0.04 0.11 0.00 -0.51 4.01 3.65 2d1gA1 GLY 352 H 0.02 0.87 0.09 -0.55 8.43 8.87 2d1gA1 GLY 352 HA2 0.08 0.02 0.41 -0.51 4.01 4.00 2d1gA1 GLY 352 HA3 0.15 -0.01 0.41 -0.51 4.01 4.05 2d1gA1 TYR 353 H -0.17 0.44 -0.12 -0.55 8.29 7.89 2d1gA1 TYR 353 HA 0.08 0.18 0.93 -0.75 4.56 5.00 2d1gA1 TYR 353 HB2 0.05 -0.04 -0.07 -0.04 3.06 2.96 2d1gA1 TYR 353 HB3 0.03 -0.01 -0.08 -0.04 2.98 2.87 2d1gA1 TYR 353 HD2 -0.02 -0.04 -0.35 -0.04 7.15 6.70 2d1gA1 TYR 353 HE2 -0.45 0.02 -0.05 -0.04 6.85 6.34 2d1gA1 SER 354 H -0.32 0.47 -0.11 -0.55 8.46 7.95 2d1gA1 SER 354 HA 0.10 0.19 0.64 -0.75 4.49 4.66 2d1gA1 SER 354 HB2 -0.03 0.13 -0.11 -0.04 3.95 3.90 2d1gA1 SER 354 HB3 -0.13 0.08 -0.15 -0.04 3.93 3.69 2d1gA1 ASN 355 H 0.03 0.21 0.15 -0.55 8.53 8.38 2d1gA1 ASN 355 HA 0.01 0.24 0.46 -0.75 4.76 4.71 2d1gA1 ASN 355 HB2 0.11 0.11 0.15 -0.04 2.88 3.20 2d1gA1 ASN 355 HB3 0.11 0.25 -0.14 -0.04 2.79 2.97 2d1gA1 ASN 355 HD21 0.16 -0.19 -0.01 -0.04 7.03 6.95 2d1gA1 ASN 355 HD22 0.27 0.21 -0.35 -0.04 7.74 7.82 2d1gA1 PRO 356 HA -0.03 0.07 0.42 -0.51 4.44 4.39 2d1gA1 PRO 356 HB2 -0.36 0.10 -0.05 -0.04 2.28 1.94 2d1gA1 PRO 356 HB3 -0.47 0.00 0.00 -0.04 2.02 1.52 2d1gA1 PRO 356 HG2 -1.25 0.08 0.05 -0.04 2.03 0.87 2d1gA1 PRO 356 HG3 -0.49 0.08 0.05 -0.04 2.03 1.63 2d1gA1 PRO 356 HD2 -0.13 0.18 0.23 -0.04 3.68 3.92 2d1gA1 PRO 356 HD3 -0.08 0.20 0.22 -0.04 3.65 3.95 2d1gA1 LEU 357 H -0.02 0.13 -0.22 -0.55 8.37 7.71 2d1gA1 LEU 357 HA -0.06 0.19 0.50 -0.75 4.35 4.23 2d1gA1 LEU 357 HB2 -0.04 -0.08 0.08 -0.04 1.64 1.56 2d1gA1 LEU 357 HB3 -0.05 0.08 0.05 -0.04 1.64 1.67 2d1gA1 LEU 357 HG -0.03 -0.03 0.09 -0.04 1.64 1.63 2d1gA1 LEU 357 HD13 -0.05 0.02 0.03 -0.04 0.93 0.89 2d1gA1 LEU 357 HD23 -0.09 0.02 0.03 -0.04 0.89 0.82 2d1gA1 ASP 358 H 0.02 0.08 -0.01 -0.55 8.40 7.94 2d1gA1 ASP 358 HA 0.02 0.10 0.66 -0.75 4.63 4.65 2d1gA1 ASP 358 HB2 0.03 -0.00 0.22 -0.04 2.71 2.92 2d1gA1 ASP 358 HB3 -0.10 0.08 0.02 -0.04 2.70 2.66 2d1gA1 GLU 359 H 0.03 0.42 -0.12 -0.55 8.60 8.38 2d1gA1 GLU 359 HA 0.11 0.31 0.51 -0.75 4.29 4.47 2d1gA1 GLU 359 HB2 0.09 -0.09 -0.01 -0.04 2.09 2.04 2d1gA1 GLU 359 HB3 0.09 0.03 0.10 -0.04 1.99 2.17 2d1gA1 GLU 359 HG2 0.22 -0.06 -0.36 -0.04 2.34 2.10 2d1gA1 GLU 359 HG3 0.23 0.08 -0.08 -0.04 2.34 2.53 2d1gA1 GLN 360 H 0.03 0.49 -0.23 -0.55 8.47 8.21 2d1gA1 GLN 360 HA 0.08 -0.07 0.40 -0.75 4.36 4.01 2d1gA1 GLN 360 HB2 -0.05 -0.03 0.16 -0.04 2.15 2.19 2d1gA1 GLN 360 HB3 -0.03 0.14 0.26 -0.04 2.02 2.36 2d1gA1 GLN 360 HG2 -0.02 0.22 -0.26 -0.04 2.40 2.30 2d1gA1 GLN 360 HG3 -0.02 -0.17 -0.01 -0.04 2.39 2.16 2d1gA1 GLN 360 HE21 -0.08 0.14 -0.28 -0.04 6.97 6.70 2d1gA1 GLN 360 HE22 -0.05 0.13 -0.36 -0.04 7.69 7.37 2d1gA1 GLU 361 H 0.05 0.42 -0.22 -0.55 8.60 8.29 2d1gA1 GLU 361 HA 0.03 0.07 0.55 -0.75 4.29 4.18 2d1gA1 GLU 361 HB2 0.03 0.14 0.18 -0.04 2.09 2.41 2d1gA1 GLU 361 HB3 0.07 0.04 0.16 -0.04 1.99 2.22 2d1gA1 GLU 361 HG2 0.07 -0.04 -0.10 -0.04 2.34 2.23 2d1gA1 GLU 361 HG3 0.03 -0.09 0.02 -0.04 2.34 2.26 2d1gA1 TRP 362 H 0.23 0.52 -0.09 -0.55 7.97 8.08 2d1gA1 TRP 362 HA 0.01 -0.04 0.47 -0.75 4.62 4.32 2d1gA1 TRP 362 HB2 -0.06 -0.10 0.12 -0.04 3.23 3.15 2d1gA1 TRP 362 HB3 -0.04 0.23 0.27 -0.04 3.23 3.65 2d1gA1 TRP 362 HD1 0.01 0.10 -0.02 -0.04 7.22 7.26 2d1gA1 TRP 362 HE1 -0.02 0.00 -0.14 -0.04 10.20 10.01 2d1gA1 TRP 362 HE3 0.08 0.00 0.01 -0.04 7.59 7.64 2d1gA1 TRP 362 HZ2 -0.05 0.03 -0.30 -0.04 7.44 7.08 2d1gA1 TRP 362 HZ3 0.22 -0.04 -0.07 -0.04 7.13 7.21 2d1gA1 TRP 362 HH2 0.02 0.01 -0.19 -0.04 7.19 6.99 2d1gA1 LEU 363 H 0.15 0.67 -0.08 -0.55 8.37 8.56 2d1gA1 LEU 363 HA -0.41 -0.01 0.26 -0.75 4.35 3.44 2d1gA1 LEU 363 HB2 0.13 0.04 0.12 -0.04 1.64 1.88 2d1gA1 LEU 363 HB3 0.12 -0.04 -0.07 -0.04 1.64 1.62 2d1gA1 LEU 363 HG 0.30 0.21 -0.02 -0.04 1.64 2.09 2d1gA1 LEU 363 HD13 0.22 -0.02 -0.11 -0.04 0.93 0.97 2d1gA1 LEU 363 HD23 0.07 -0.02 -0.07 -0.04 0.89 0.84 2d1gA1 VAL 364 H 0.03 0.72 -0.10 -0.55 8.24 8.34 2d1gA1 VAL 364 HA 0.10 0.01 0.34 -0.75 4.13 3.83 2d1gA1 VAL 364 HB 0.00 0.09 0.12 -0.04 2.12 2.29 2d1gA1 VAL 364 HG13 -0.01 -0.06 -0.41 -0.04 0.97 0.44 2d1gA1 VAL 364 HG23 0.02 0.02 -0.05 -0.04 0.95 0.89 2d1gA1 ASN 365 H -0.05 0.63 -0.04 -0.55 8.53 8.52 2d1gA1 ASN 365 HA -0.11 0.02 0.45 -0.75 4.76 4.36 2d1gA1 ASN 365 HB2 -0.06 0.13 0.17 -0.04 2.88 3.08 2d1gA1 ASN 365 HB3 -0.14 -0.06 0.02 -0.04 2.79 2.57 2d1gA1 ASN 365 HD21 0.00 -0.08 0.01 -0.04 7.03 6.92 2d1gA1 ASN 365 HD22 0.03 0.01 -0.05 -0.04 7.74 7.69 2d1gA1 THR 366 H -0.29 0.56 -0.24 -0.55 8.28 7.77 2d1gA1 THR 366 HA -0.02 -0.02 0.37 -0.75 4.39 3.97 2d1gA1 THR 366 HB -0.63 0.11 0.13 -0.04 4.32 3.89 2d1gA1 THR 366 HG23 -0.25 -0.03 -0.14 -0.04 1.22 0.77 2d1gA1 ILE 367 H -0.15 0.69 -0.01 -0.55 8.25 8.23 2d1gA1 ILE 367 HA -0.08 -0.00 0.36 -0.75 4.18 3.71 2d1gA1 ILE 367 HB -0.06 0.10 0.10 -0.04 1.89 1.99 2d1gA1 ILE 367 HG12 -0.23 -0.02 -0.04 -0.04 1.49 1.16 2d1gA1 ILE 367 HG13 -0.22 -0.06 0.00 -0.04 1.21 0.88 2d1gA1 ILE 367 HG23 -0.27 0.00 -0.10 -0.04 0.93 0.52 2d1gA1 ILE 367 HD13 -0.43 -0.01 -0.07 -0.04 0.88 0.32 2d1gA1 ASN 368 H -0.06 0.71 0.02 -0.55 8.53 8.65 2d1gA1 ASN 368 HA -0.11 0.00 0.48 -0.75 4.76 4.38 2d1gA1 ASN 368 HB2 -0.10 0.14 0.18 -0.04 2.88 3.06 2d1gA1 ASN 368 HB3 -0.10 -0.06 -0.02 -0.04 2.79 2.57 2d1gA1 ASN 368 HD21 -0.04 0.43 0.13 -0.04 7.03 7.51 2d1gA1 ASN 368 HD22 -0.06 -0.06 -0.00 -0.04 7.74 7.57 2d1gA1 ARG 369 H -0.12 0.45 -0.37 -0.55 8.46 7.87 2d1gA1 ARG 369 HA -0.12 -0.01 0.22 -0.75 4.34 3.69 2d1gA1 ARG 369 HB2 -0.37 0.16 0.14 -0.04 1.90 1.79 2d1gA1 ARG 369 HB3 -0.25 0.08 0.09 -0.04 1.80 1.68 2d1gA1 ARG 369 HG2 -0.14 -0.03 -0.13 -0.04 1.67 1.34 2d1gA1 ARG 369 HG3 -0.26 -0.03 0.01 -0.04 1.67 1.36 2d1gA1 ARG 369 HD2 -0.80 0.00 -0.03 -0.04 3.22 2.35 2d1gA1 ARG 369 HD3 -2.43 -0.03 -0.06 -0.04 3.22 0.66 2d1gA1 ILE 370 H 0.12 0.53 -0.04 -0.55 8.25 8.31 2d1gA1 ILE 370 HA 0.21 -0.01 0.54 -0.75 4.18 4.16 2d1gA1 ILE 370 HB 0.10 0.07 0.08 -0.04 1.89 2.10 2d1gA1 ILE 370 HG12 0.39 -0.05 -0.05 -0.04 1.49 1.73 2d1gA1 ILE 370 HG13 0.48 0.08 0.02 -0.04 1.21 1.74 2d1gA1 ILE 370 HG23 0.27 -0.01 -0.19 -0.04 0.93 0.97 2d1gA1 ILE 370 HD13 0.02 -0.03 -0.14 -0.04 0.88 0.69 2d1gA1 GLN 371 H -0.17 0.62 -0.13 -0.55 8.47 8.25 2d1gA1 GLN 371 HA -0.72 0.01 0.43 -0.75 4.36 3.32 2d1gA1 GLN 371 HB2 -0.39 0.16 0.15 -0.04 2.15 2.03 2d1gA1 GLN 371 HB3 -0.82 -0.10 -0.01 -0.04 2.02 1.06 2d1gA1 GLN 371 HG2 -2.18 -0.02 -0.01 -0.04 2.40 0.15 2d1gA1 GLN 371 HG3 -0.55 0.15 0.05 -0.04 2.39 1.99 2d1gA1 GLN 371 HE21 -0.03 0.45 -0.06 -0.04 6.97 7.29 2d1gA1 GLN 371 HE22 -0.18 0.09 -0.37 -0.04 7.69 7.18 2d1gA1 GLN 372 H -0.12 0.36 -0.32 -0.55 8.47 7.84 2d1gA1 GLN 372 HA -0.09 0.04 0.51 -0.75 4.36 4.07 2d1gA1 GLN 372 HB2 -0.08 0.10 0.09 -0.04 2.15 2.21 2d1gA1 GLN 372 HB3 -0.05 -0.06 -0.04 -0.04 2.02 1.83 2d1gA1 GLN 372 HG2 -0.06 -0.07 -0.00 -0.04 2.40 2.22 2d1gA1 GLN 372 HG3 -0.07 -0.01 0.03 -0.04 2.39 2.30 2d1gA1 GLN 372 HE21 -0.09 -0.07 -0.09 -0.04 6.97 6.68 2d1gA1 GLN 372 HE22 -0.08 -0.04 -0.07 -0.04 7.69 7.45 2d1gA1 SER 373 H 0.04 0.32 -0.47 -0.55 8.46 7.80 2d1gA1 SER 373 HA 0.02 0.09 0.50 -0.75 4.49 4.35 2d1gA1 SER 373 HB2 0.02 -0.10 0.10 -0.04 3.95 3.93 2d1gA1 SER 373 HB3 0.06 0.13 0.11 -0.04 3.93 4.19 2d1gA1 LYS 374 H 0.02 0.17 0.16 -0.55 8.42 8.22 2d1gA1 LYS 374 HA 0.06 0.13 0.31 -0.75 4.32 4.07 2d1gA1 LYS 374 HB2 0.01 0.00 0.12 -0.04 1.87 1.97 2d1gA1 LYS 374 HB3 0.03 0.02 0.08 -0.04 1.79 1.89 2d1gA1 LYS 374 HG2 0.03 0.04 0.06 -0.04 1.46 1.54 2d1gA1 LYS 374 HG3 0.01 0.01 0.10 -0.04 1.46 1.54 2d1gA1 LYS 374 HD2 0.01 0.02 0.04 -0.04 1.69 1.71 2d1gA1 LYS 374 HD3 0.02 -0.00 0.04 -0.04 1.68 1.70 2d1gA1 LYS 374 HE2 0.01 -0.02 0.02 -0.04 2.99 2.96 2d1gA1 LYS 374 HE3 0.01 -0.00 0.03 -0.04 2.99 2.99 2d1gA1 ASP 375 H 0.04 0.06 -0.38 -0.55 8.40 7.57 2d1gA1 ASP 375 HA 0.05 0.20 0.65 -0.75 4.63 4.78 2d1gA1 ASP 375 HB2 -0.18 -0.00 -0.04 -0.04 2.71 2.45 2d1gA1 ASP 375 HB3 -0.38 0.05 0.01 -0.04 2.70 2.34 2d1gA1 TRP 376 H 0.27 0.41 -0.26 -0.55 7.97 7.84 2d1gA1 TRP 376 HA 0.04 0.01 0.38 -0.75 4.62 4.30 2d1gA1 TRP 376 HB2 0.03 0.14 0.15 -0.04 3.23 3.50 2d1gA1 TRP 376 HB3 0.02 0.16 0.10 -0.04 3.23 3.47 2d1gA1 TRP 376 HD1 0.03 -0.01 -0.08 -0.04 7.22 7.12 2d1gA1 TRP 376 HE1 0.05 0.02 -0.07 -0.04 10.20 10.16 2d1gA1 TRP 376 HE3 0.02 -0.01 -0.12 -0.04 7.59 7.44 2d1gA1 TRP 376 HZ2 0.21 0.18 -0.33 -0.04 7.44 7.45 2d1gA1 TRP 376 HZ3 -0.09 -0.00 -0.19 -0.04 7.13 6.80 2d1gA1 TRP 376 HH2 -0.14 -0.07 -0.30 -0.04 7.19 6.65 2d1gA1 ASP 377 H 0.10 0.15 -0.31 -0.55 8.40 7.79 2d1gA1 ASP 377 HA -0.33 0.07 0.36 -0.75 4.63 3.98 2d1gA1 ASP 377 HB2 0.03 0.03 -0.02 -0.04 2.71 2.71 2d1gA1 ASP 377 HB3 -0.02 0.00 0.08 -0.04 2.70 2.72 2d1gA1 SER 378 H 0.05 0.30 -0.42 -0.55 8.46 7.84 2d1gA1 SER 378 HA 0.14 0.25 0.90 -0.75 4.49 5.03 2d1gA1 SER 378 HB2 0.08 -0.02 0.30 -0.04 3.95 4.27 2d1gA1 SER 378 HB3 0.10 -0.00 0.01 -0.04 3.93 4.00 2d1gA1 THR 379 H -0.12 0.48 -0.16 -0.55 8.28 7.93 2d1gA1 THR 379 HA 0.20 0.29 0.98 -0.75 4.39 5.11 2d1gA1 THR 379 HB 0.09 0.02 0.10 -0.04 4.32 4.50 2d1gA1 THR 379 HG23 0.20 -0.04 -0.26 -0.04 1.22 1.07 2d1gA1 ALA 380 H 0.20 0.70 0.40 -0.55 8.40 9.15 2d1gA1 ALA 380 HA 0.11 0.17 0.66 -0.75 4.34 4.53 2d1gA1 ALA 380 HB3 0.28 -0.02 0.02 -0.04 1.41 1.65 2d1gA1 ILE 381 H 0.06 0.91 0.31 -0.55 8.25 8.98 2d1gA1 ILE 381 HA 0.03 0.22 1.14 -0.75 4.18 4.82 2d1gA1 ILE 381 HB -0.06 -0.03 0.19 -0.04 1.89 1.96 2d1gA1 ILE 381 HG12 0.07 -0.03 -0.06 -0.04 1.49 1.44 2d1gA1 ILE 381 HG13 0.18 0.01 -0.14 -0.04 1.21 1.23 2d1gA1 ILE 381 HG23 -0.09 -0.02 -0.13 -0.04 0.93 0.65 2d1gA1 ILE 381 HD13 0.09 -0.02 -0.06 -0.04 0.88 0.85 2d1gA1 ILE 382 H -0.00 0.71 0.41 -0.55 8.25 8.82 2d1gA1 ILE 382 HA -0.04 0.38 1.15 -0.75 4.18 4.91 2d1gA1 ILE 382 HB 0.02 -0.07 0.15 -0.04 1.89 1.95 2d1gA1 ILE 382 HG12 -0.07 0.03 -0.06 -0.04 1.49 1.34 2d1gA1 ILE 382 HG13 0.00 -0.03 -0.28 -0.04 1.21 0.86 2d1gA1 ILE 382 HG23 0.03 -0.02 -0.22 -0.04 0.93 0.69 2d1gA1 ILE 382 HD13 0.02 -0.02 -0.08 -0.04 0.88 0.77 2d1gA1 ILE 383 H -0.01 0.54 0.27 -0.55 8.25 8.50 2d1gA1 ILE 383 HA 0.03 0.29 1.05 -0.75 4.18 4.81 2d1gA1 ILE 383 HB 0.08 -0.09 0.12 -0.04 1.89 1.96 2d1gA1 ILE 383 HG12 -0.04 0.03 -0.02 -0.04 1.49 1.41 2d1gA1 ILE 383 HG13 -0.09 -0.01 -0.20 -0.04 1.21 0.87 2d1gA1 ILE 383 HG23 0.14 -0.00 -0.12 -0.04 0.93 0.91 2d1gA1 ILE 383 HD13 -0.07 -0.01 -0.09 -0.04 0.88 0.67 2d1gA1 ILE 384 H 0.10 0.61 0.28 -0.55 8.25 8.69 2d1gA1 ILE 384 HA 0.23 0.26 0.62 -0.75 4.18 4.54 2d1gA1 ILE 384 HB 0.13 -0.01 -0.11 -0.04 1.89 1.86 2d1gA1 ILE 384 HG12 0.27 0.16 -0.04 -0.04 1.49 1.84 2d1gA1 ILE 384 HG13 0.17 0.10 0.10 -0.04 1.21 1.53 2d1gA1 ILE 384 HG23 0.30 -0.00 -0.16 -0.04 0.93 1.03 2d1gA1 ILE 384 HD13 0.11 -0.03 -0.11 -0.04 0.88 0.81 2d1gA1 TYR 385 H 0.33 0.26 0.11 -0.55 8.29 8.44 2d1gA1 TYR 385 HA -0.16 0.34 0.78 -0.75 4.56 4.77 2d1gA1 TYR 385 HB2 -0.01 0.04 0.03 -0.04 3.06 3.09 2d1gA1 TYR 385 HB3 -0.10 -0.13 0.01 -0.04 2.98 2.71 2d1gA1 TYR 385 HD2 -0.02 -0.03 -0.48 -0.04 7.15 6.57 2d1gA1 TYR 385 HE2 0.11 0.05 -0.21 -0.04 6.85 6.76 2d1gA1 ASP 386 H -0.35 0.31 0.31 -0.55 8.40 8.12 2d1gA1 ASP 386 HA 0.08 0.14 0.56 -0.75 4.63 4.65 2d1gA1 ASP 386 HB2 -0.08 0.01 0.07 -0.04 2.71 2.67 2d1gA1 ASP 386 HB3 -1.06 0.13 0.06 -0.04 2.70 1.79 2d1gA1 ASP 387 H -0.02 0.13 0.16 -0.55 8.40 8.12 2d1gA1 ASP 387 HA 0.05 0.23 0.49 -0.75 4.63 4.65 2d1gA1 ASP 387 HB2 0.07 0.12 0.18 -0.04 2.71 3.04 2d1gA1 ASP 387 HB3 0.07 0.31 -0.30 -0.04 2.70 2.73 2d1gA1 SER 388 H 0.04 0.24 0.08 -0.55 8.46 8.28 2d1gA1 SER 388 HA -0.05 0.25 0.13 -0.75 4.49 4.07 2d1gA1 SER 388 HB2 0.07 0.07 0.03 -0.04 3.95 4.09 2d1gA1 SER 388 HB3 0.07 0.14 -0.09 -0.04 3.93 4.01 2d1gA1 ASP 389 H -0.13 0.08 -0.32 -0.55 8.40 7.48 2d1gA1 ASP 389 HA -0.45 0.02 0.18 -0.75 4.63 3.62 2d1gA1 ASP 389 HB2 -0.17 0.20 -0.33 -0.04 2.71 2.37 2d1gA1 ASP 389 HB3 -0.01 0.10 0.15 -0.04 2.70 2.89 2d1gA1 GLY 390 H 0.13 -0.08 -0.58 -0.55 8.43 7.35 2d1gA1 GLY 390 HA2 0.21 -0.04 0.23 -0.51 4.01 3.90 2d1gA1 GLY 390 HA3 0.18 0.44 0.56 -0.51 4.01 4.69 2d1gA1 ASP 391 H 0.13 0.31 -0.23 -0.55 8.40 8.06 2d1gA1 ASP 391 HA 0.22 0.06 0.45 -0.75 4.63 4.60 2d1gA1 ASP 391 HB2 0.05 -0.07 0.17 -0.04 2.71 2.82 2d1gA1 ASP 391 HB3 0.08 0.13 0.13 -0.04 2.70 3.00 2d1gA1 TYR 392 H 0.21 0.71 0.30 -0.55 8.29 8.96 2d1gA1 TYR 392 HA -0.83 -0.02 0.40 -0.75 4.56 3.36 2d1gA1 TYR 392 HB2 -0.19 -0.03 0.04 -0.04 3.06 2.83 2d1gA1 TYR 392 HB3 -0.09 0.08 0.16 -0.04 2.98 3.09 2d1gA1 TYR 392 HD2 -0.98 -0.01 -0.07 -0.04 7.15 6.05 2d1gA1 TYR 392 HE2 -0.13 0.10 -0.05 -0.04 6.85 6.72 2d1gA1 ASP 393 H -0.66 0.33 0.25 -0.55 8.40 7.77 2d1gA1 ASP 393 HA -0.51 0.04 0.28 -0.75 4.63 3.69 2d1gA1 ASP 393 HB2 -0.05 0.04 0.17 -0.04 2.71 2.83 2d1gA1 ASP 393 HB3 -0.02 0.05 0.16 -0.04 2.70 2.85 2d1gA1 HIS 394 H -0.31 0.13 0.10 -0.55 8.41 7.78 2d1gA1 HIS 394 HA -0.25 0.19 0.40 -0.75 4.63 4.20 2d1gA1 HIS 394 HB2 0.01 0.06 0.11 -0.04 3.26 3.40 2d1gA1 HIS 394 HB3 -0.07 -0.02 0.05 -0.04 3.20 3.12 2d1gA1 HIS 394 HD2 -0.01 -0.01 -0.15 -0.04 6.97 6.75 2d1gA1 HIS 394 HE1 0.00 0.28 -0.15 -0.04 7.75 7.83 2d1gA1 VAL 395 H -0.41 -0.05 -0.22 -0.55 8.24 7.00 2d1gA1 VAL 395 HA -0.11 0.14 0.51 -0.75 4.13 3.91 2d1gA1 VAL 395 HB -0.05 -0.10 0.08 -0.04 2.12 2.01 2d1gA1 VAL 395 HG13 0.17 0.02 -0.28 -0.04 0.97 0.84 2d1gA1 VAL 395 HG23 -0.55 0.00 -0.00 -0.04 0.95 0.36 2d1gA1 TYR 396 H 0.09 0.22 0.17 -0.55 8.29 8.22 2d1gA1 TYR 396 HA -0.29 -0.00 0.56 -0.75 4.56 4.07 2d1gA1 TYR 396 HB2 -0.07 0.10 0.14 -0.04 3.06 3.19 2d1gA1 TYR 396 HB3 -0.02 -0.02 0.22 -0.04 2.98 3.11 2d1gA1 TYR 396 HD2 0.03 -0.02 0.02 -0.04 7.15 7.14 2d1gA1 TYR 396 HE2 0.14 -0.06 -0.09 -0.04 6.85 6.80 2d1gA1 SER 397 H 0.21 0.11 0.08 -0.55 8.46 8.32 2d1gA1 SER 397 HA -0.37 -0.00 0.05 -0.75 4.49 3.42 2d1gA1 SER 397 HB2 -0.07 0.15 -0.10 -0.04 3.95 3.89 2d1gA1 SER 397 HB3 -0.54 -0.01 -0.09 -0.04 3.93 3.25 2d1gA1 PRO 398 HA -0.24 0.10 0.58 -0.51 4.44 4.37 2d1gA1 PRO 398 HB2 -0.12 0.06 0.09 -0.04 2.28 2.26 2d1gA1 PRO 398 HB3 -0.13 0.02 0.13 -0.04 2.02 1.99 2d1gA1 PRO 398 HG2 -0.11 0.01 -0.03 -0.04 2.03 1.86 2d1gA1 PRO 398 HG3 -0.17 0.02 0.05 -0.04 2.03 1.90 2d1gA1 PRO 398 HD2 -1.33 0.05 0.11 -0.04 3.68 2.47 2d1gA1 PRO 398 HD3 -0.45 0.13 0.10 -0.04 3.65 3.39 2d1gA1 LYS 399 H -0.19 0.07 0.19 -0.55 8.42 7.94 2d1gA1 LYS 399 HA -0.26 0.26 0.78 -0.75 4.32 4.35 2d1gA1 LYS 399 HB2 -0.17 -0.05 0.12 -0.04 1.87 1.73 2d1gA1 LYS 399 HB3 -0.18 0.05 0.13 -0.04 1.79 1.75 2d1gA1 LYS 399 HG2 -0.11 0.05 0.05 -0.04 1.46 1.40 2d1gA1 LYS 399 HG3 -0.15 -0.01 0.08 -0.04 1.46 1.34 2d1gA1 LYS 399 HD2 -0.09 -0.01 0.03 -0.04 1.69 1.58 2d1gA1 LYS 399 HD3 -0.09 -0.03 0.01 -0.04 1.68 1.52 2d1gA1 LYS 399 HE2 -0.05 0.03 -0.01 -0.04 2.99 2.92 2d1gA1 LYS 399 HE3 -0.04 -0.02 -0.01 -0.04 2.99 2.89 2d1gA1 SER 400 H -0.43 0.39 -0.03 -0.55 8.46 7.84 2d1gA1 SER 400 HA -0.67 0.23 0.78 -0.75 4.49 4.08 2d1gA1 SER 400 HB2 -0.20 -0.03 0.12 -0.04 3.95 3.80 2d1gA1 SER 400 HB3 -0.88 0.13 -0.04 -0.04 3.93 3.10 2d1gA1 GLN 401 H -0.24 0.21 0.12 -0.55 8.47 8.02 2d1gA1 GLN 401 HA -0.37 0.14 0.45 -0.75 4.36 3.83 2d1gA1 GLN 401 HB2 -1.03 0.01 0.07 -0.04 2.15 1.16 2d1gA1 GLN 401 HB3 -0.91 0.03 0.10 -0.04 2.02 1.20 2d1gA1 GLN 401 HG2 -0.53 0.01 0.07 -0.04 2.40 1.90 2d1gA1 GLN 401 HG3 -1.41 0.04 0.03 -0.04 2.39 1.01 2d1gA1 GLN 401 HE21 -0.15 0.00 -0.04 -0.04 6.97 6.74 2d1gA1 GLN 401 HE22 -0.17 0.05 -0.01 -0.04 7.69 7.52 2d1gA1 PHE 402 H 0.01 0.06 -0.40 -0.55 8.34 7.46 2d1gA1 PHE 402 HA -0.09 0.21 0.78 -0.75 4.62 4.76 2d1gA1 PHE 402 HB2 -0.07 0.08 0.01 -0.04 3.15 3.12 2d1gA1 PHE 402 HB3 -0.10 -0.01 0.11 -0.04 3.06 3.01 2d1gA1 PHE 402 HD2 -0.01 -0.08 -0.03 -0.04 7.28 7.13 2d1gA1 PHE 402 HE2 0.21 -0.03 -0.12 -0.04 7.38 7.41 2d1gA1 PHE 402 HZ 0.21 0.10 -0.34 -0.04 7.32 7.25 2d1gA1 SER 403 H -0.10 0.43 -0.31 -0.55 8.46 7.93 2d1gA1 SER 403 HA 0.01 0.00 0.08 -0.75 4.49 3.82 2d1gA1 SER 403 HB2 -0.05 0.00 0.19 -0.04 3.95 4.05 2d1gA1 SER 403 HB3 -0.12 0.00 0.28 -0.04 3.93 4.05 2d1gA1 ASP 404 H -0.05 0.17 -0.40 -0.55 8.40 7.56 2d1gA1 ASP 404 HA -0.01 0.16 0.63 -0.75 4.63 4.65 2d1gA1 ASP 404 HB2 -0.05 0.04 -0.03 -0.04 2.71 2.64 2d1gA1 ASP 404 HB3 -0.02 -0.01 0.10 -0.04 2.70 2.74 2d1gA1 ILE 405 H 0.02 0.56 -0.36 -0.55 8.25 7.93 2d1gA1 ILE 405 HA 0.04 0.00 0.80 -0.75 4.18 4.27 2d1gA1 ILE 405 HB 0.03 0.00 0.08 -0.04 1.89 1.97 2d1gA1 ILE 405 HG12 0.07 0.00 -0.06 -0.04 1.49 1.45 2d1gA1 ILE 405 HG13 0.03 0.00 -0.18 -0.04 1.21 1.02 2d1gA1 ILE 405 HG23 0.01 -0.02 -0.14 -0.04 0.93 0.74 2d1gA1 ILE 405 HD13 0.23 0.00 -0.02 -0.04 0.88 1.05 2d1gA1 LYS 406 H 0.06 0.17 0.10 -0.55 8.42 8.20 2d1gA1 LYS 406 HA 0.08 0.01 0.38 -0.75 4.32 4.04 2d1gA1 LYS 406 HB2 0.06 0.05 0.10 -0.04 1.87 2.04 2d1gA1 LYS 406 HB3 0.08 0.01 0.07 -0.04 1.79 1.91 2d1gA1 LYS 406 HG2 0.07 -0.03 -0.28 -0.04 1.46 1.18 2d1gA1 LYS 406 HG3 0.10 -0.05 0.01 -0.04 1.46 1.48 2d1gA1 LYS 406 HD2 0.06 0.04 0.00 -0.04 1.69 1.75 2d1gA1 LYS 406 HD3 0.05 -0.02 -0.01 -0.04 1.68 1.66 2d1gA1 LYS 406 HE2 0.06 -0.04 -0.02 -0.04 2.99 2.95 2d1gA1 LYS 406 HE3 0.09 0.01 -0.01 -0.04 2.99 3.04 2d1gA1 GLY 407 H 0.12 0.07 0.15 -0.55 8.43 8.22 2d1gA1 GLY 407 HA2 -0.21 -0.05 0.30 -0.51 4.01 3.53 2d1gA1 GLY 407 HA3 0.04 0.29 0.60 -0.51 4.01 4.43 2d1gA1 ARG 408 H 0.05 0.44 -0.20 -0.55 8.46 8.19 2d1gA1 ARG 408 HA 0.02 0.22 0.84 -0.75 4.34 4.67 2d1gA1 ARG 408 HB2 -0.07 0.16 -0.02 -0.04 1.90 1.93 2d1gA1 ARG 408 HB3 -0.07 -0.10 0.05 -0.04 1.80 1.64 2d1gA1 ARG 408 HG2 -0.51 0.02 -0.24 -0.04 1.67 0.90 2d1gA1 ARG 408 HG3 -0.74 0.06 -0.43 -0.04 1.67 0.52 2d1gA1 ARG 408 HD2 -1.44 -0.00 -0.12 -0.04 3.22 1.62 2d1gA1 ARG 408 HD3 -0.31 -0.02 -0.06 -0.04 3.22 2.79 2d1gA1 GLN 409 H 0.29 -0.07 -0.06 -0.55 8.47 8.08 2d1gA1 GLN 409 HA 0.07 0.07 0.47 -0.75 4.36 4.21 2d1gA1 GLN 409 HB2 0.02 -0.04 0.10 -0.04 2.15 2.20 2d1gA1 GLN 409 HB3 -0.21 -0.07 0.04 -0.04 2.02 1.74 2d1gA1 GLN 409 HG2 -0.28 -0.05 -0.02 -0.04 2.40 2.01 2d1gA1 GLN 409 HG3 0.11 0.05 -0.16 -0.04 2.39 2.35 2d1gA1 GLN 409 HE21 -0.02 0.05 0.03 -0.04 6.97 6.99 2d1gA1 GLN 409 HE22 -0.04 -0.10 0.01 -0.04 7.69 7.52 2d1gA1 GLY 410 H 0.05 0.26 0.31 -0.55 8.43 8.49 2d1gA1 GLY 410 HA2 -0.11 0.05 -0.15 -0.51 4.01 3.28 2d1gA1 GLY 410 HA3 0.00 0.27 0.39 -0.51 4.01 4.16 2d1gA1 TYR 411 H -0.38 0.47 0.20 -0.55 8.29 8.03 2d1gA1 TYR 411 HA -0.11 0.19 0.25 -0.75 4.56 4.13 2d1gA1 TYR 411 HB2 -0.37 0.09 0.00 -0.04 3.06 2.74 2d1gA1 TYR 411 HB3 -0.06 0.11 -0.04 -0.04 2.98 2.95 2d1gA1 TYR 411 HD2 -0.16 0.14 0.00 -0.04 7.15 7.09 2d1gA1 TYR 411 HE2 0.02 -0.03 -0.05 -0.04 6.85 6.74 2d1gA1 GLY 412 H -0.06 0.55 -0.27 -0.55 8.43 8.10 2d1gA1 GLY 412 HA2 -1.86 0.03 0.46 -0.51 4.01 2.12 2d1gA1 GLY 412 HA3 -0.48 0.17 0.07 -0.51 4.01 3.26 2d1gA1 PRO 413 HA 0.44 0.11 0.40 -0.51 4.44 4.88 2d1gA1 PRO 413 HB2 0.13 -0.07 -0.02 -0.04 2.28 2.27 2d1gA1 PRO 413 HB3 0.30 0.09 0.10 -0.04 2.02 2.46 2d1gA1 PRO 413 HG2 0.12 -0.07 0.08 -0.04 2.03 2.12 2d1gA1 PRO 413 HG3 0.13 0.12 0.07 -0.04 2.03 2.31 2d1gA1 PRO 413 HD2 -0.10 0.11 0.24 -0.04 3.68 3.89 2d1gA1 PRO 413 HD3 -0.56 0.09 0.21 -0.04 3.65 3.35 2d1gA1 ARG 414 H 0.17 0.08 0.21 -0.55 8.46 8.36 2d1gA1 ARG 414 HA -0.36 0.24 0.51 -0.75 4.34 3.97 2d1gA1 ARG 414 HB2 -0.19 0.05 0.10 -0.04 1.90 1.82 2d1gA1 ARG 414 HB3 -0.13 -0.20 0.14 -0.04 1.80 1.57 2d1gA1 ARG 414 HG2 -0.39 0.00 -0.06 -0.04 1.67 1.17 2d1gA1 ARG 414 HG3 -1.15 0.10 -0.08 -0.04 1.67 0.50 2d1gA1 ARG 414 HD2 -0.69 0.28 -0.12 -0.04 3.22 2.65 2d1gA1 ARG 414 HD3 -0.48 -0.00 -0.02 -0.04 3.22 2.68 2d1gA1 LEU 415 H -0.18 0.84 0.36 -0.55 8.37 8.84 2d1gA1 LEU 415 HA 0.01 0.10 0.84 -0.75 4.35 4.54 2d1gA1 LEU 415 HB2 0.04 -0.00 -0.18 -0.04 1.64 1.46 2d1gA1 LEU 415 HB3 0.12 0.02 -0.05 -0.04 1.64 1.69 2d1gA1 LEU 415 HG 0.03 0.07 -0.36 -0.04 1.64 1.34 2d1gA1 LEU 415 HD13 0.11 0.05 -0.34 -0.04 0.93 0.71 2d1gA1 LEU 415 HD23 0.04 -0.03 -0.42 -0.04 0.89 0.44 2d1gA1 PRO 416 HA 0.15 0.12 0.62 -0.51 4.44 4.82 2d1gA1 PRO 416 HB2 0.24 -0.01 -0.12 -0.04 2.28 2.35 2d1gA1 PRO 416 HB3 0.27 0.05 -0.02 -0.04 2.02 2.28 2d1gA1 PRO 416 HG2 -0.53 0.03 -0.11 -0.04 2.03 1.38 2d1gA1 PRO 416 HG3 -0.02 0.03 -0.13 -0.04 2.03 1.87 2d1gA1 PRO 416 HD2 -0.32 0.05 0.09 -0.04 3.68 3.46 2d1gA1 PRO 416 HD3 -0.18 0.13 -0.16 -0.04 3.65 3.41 2d1gA1 MET 417 H -0.01 0.29 0.24 -0.55 8.47 8.44 2d1gA1 MET 417 HA 0.09 0.00 0.80 -0.75 4.52 4.66 2d1gA1 MET 417 HB2 0.03 0.00 -0.20 -0.04 2.15 1.93 2d1gA1 MET 417 HB3 -0.04 0.00 0.14 -0.04 2.03 2.09 2d1gA1 MET 417 HG2 0.04 0.00 0.06 -0.04 2.63 2.69 2d1gA1 MET 417 HG3 0.00 -0.07 -0.08 -0.04 2.56 2.36 2d1gA1 MET 417 HE3 -0.06 0.00 -0.15 -0.04 2.10 1.86 2d1gA1 LEU 418 H 0.03 0.74 0.39 -0.55 8.37 8.98 2d1gA1 LEU 418 HA -0.07 0.29 1.08 -0.75 4.35 4.89 2d1gA1 LEU 418 HB2 0.03 -0.12 0.07 -0.04 1.64 1.57 2d1gA1 LEU 418 HB3 -0.00 0.11 -0.01 -0.04 1.64 1.70 2d1gA1 LEU 418 HG -0.12 0.10 0.01 -0.04 1.64 1.58 2d1gA1 LEU 418 HD13 0.11 -0.07 -0.25 -0.04 0.93 0.67 2d1gA1 LEU 418 HD23 0.19 0.02 -0.15 -0.04 0.89 0.91 2d1gA1 VAL 419 H -0.07 0.67 0.31 -0.55 8.24 8.59 2d1gA1 VAL 419 HA -0.12 0.30 1.06 -0.75 4.13 4.61 2d1gA1 VAL 419 HB -0.30 0.01 0.13 -0.04 2.12 1.91 2d1gA1 VAL 419 HG13 -0.53 -0.01 -0.22 -0.04 0.97 0.17 2d1gA1 VAL 419 HG23 -0.28 -0.02 -0.17 -0.04 0.95 0.43 2d1gA1 ILE 420 H -0.11 0.86 0.34 -0.55 8.25 8.79 2d1gA1 ILE 420 HA -0.38 0.17 0.92 -0.75 4.18 4.14 2d1gA1 ILE 420 HB -0.28 -0.04 0.13 -0.04 1.89 1.66 2d1gA1 ILE 420 HG12 -0.47 0.09 -0.08 -0.04 1.49 0.99 2d1gA1 ILE 420 HG13 -0.20 -0.09 -0.43 -0.04 1.21 0.44 2d1gA1 ILE 420 HG23 -1.01 0.02 -0.11 -0.04 0.93 -0.21 2d1gA1 ILE 420 HD13 -0.65 -0.02 -0.11 -0.04 0.88 0.05 2d1gA1 SER 421 H 0.16 0.41 0.23 -0.55 8.46 8.72 2d1gA1 SER 421 HA -0.40 0.28 0.77 -0.75 4.49 4.39 2d1gA1 SER 421 HB2 0.13 -0.03 -0.26 -0.04 3.95 3.76 2d1gA1 SER 421 HB3 0.19 -0.11 -0.09 -0.04 3.93 3.87 2d1gA1 PRO 422 HA 0.05 0.29 0.72 -0.51 4.44 4.98 2d1gA1 PRO 422 HB2 -0.52 -0.02 0.10 -0.04 2.28 1.80 2d1gA1 PRO 422 HB3 -0.28 0.06 0.13 -0.04 2.02 1.89 2d1gA1 PRO 422 HG2 -0.63 0.12 0.09 -0.04 2.03 1.57 2d1gA1 PRO 422 HG3 -1.22 0.06 0.06 -0.04 2.03 0.88 2d1gA1 PRO 422 HD2 -0.66 0.36 0.35 -0.04 3.68 3.69 2d1gA1 PRO 422 HD3 -2.71 0.08 0.19 -0.04 3.65 1.17 2d1gA1 TYR 423 H 0.05 0.03 -0.35 -0.55 8.29 7.46 2d1gA1 TYR 423 HA 0.03 0.27 0.75 -0.75 4.56 4.86 2d1gA1 TYR 423 HB2 0.17 -0.01 -0.07 -0.04 3.06 3.10 2d1gA1 TYR 423 HB3 -0.01 -0.11 -0.05 -0.04 2.98 2.77 2d1gA1 TYR 423 HD2 0.06 0.05 -0.07 -0.04 7.15 7.15 2d1gA1 TYR 423 HE2 0.00 0.13 0.01 -0.04 6.85 6.95 2d1gA1 ALA 424 H 0.17 0.18 -0.26 -0.55 8.40 7.94 2d1gA1 ALA 424 HA -0.10 0.12 0.62 -0.75 4.34 4.23 2d1gA1 ALA 424 HB3 0.14 0.00 0.11 -0.04 1.41 1.62 2d1gA1 LYS 425 H -0.17 0.40 0.17 -0.55 8.42 8.27 2d1gA1 LYS 425 HA -0.10 0.01 0.50 -0.75 4.32 3.98 2d1gA1 LYS 425 HB2 -0.31 -0.01 -0.01 -0.04 1.87 1.49 2d1gA1 LYS 425 HB3 -0.32 0.02 -0.11 -0.04 1.79 1.33 2d1gA1 LYS 425 HG2 -0.30 -0.05 -0.12 -0.04 1.46 0.95 2d1gA1 LYS 425 HG3 -0.34 -0.04 -0.48 -0.04 1.46 0.55 2d1gA1 LYS 425 HD2 -1.51 0.09 -0.06 -0.04 1.69 0.17 2d1gA1 LYS 425 HD3 -1.23 -0.06 -0.07 -0.04 1.68 0.28 2d1gA1 LYS 425 HE2 -0.32 -0.11 -0.08 -0.04 2.99 2.44 2d1gA1 LYS 425 HE3 -0.34 0.21 -0.29 -0.04 2.99 2.52 2d1gA1 ALA 426 H -0.02 0.06 0.08 -0.55 8.40 7.98 2d1gA1 ALA 426 HA -0.02 0.16 0.36 -0.75 4.34 4.08 2d1gA1 ALA 426 HB3 -0.06 -0.00 0.04 -0.04 1.41 1.34 2d1gA1 ASN 427 H 0.03 0.21 -0.11 -0.55 8.53 8.12 2d1gA1 ASN 427 HA 0.09 0.24 0.37 -0.75 4.76 4.70 2d1gA1 ASN 427 HB2 0.03 0.17 -0.06 -0.04 2.88 2.98 2d1gA1 ASN 427 HB3 0.04 0.06 0.18 -0.04 2.79 3.03 2d1gA1 ASN 427 HD21 0.03 -0.14 -0.07 -0.04 7.03 6.80 2d1gA1 ASN 427 HD22 0.02 0.03 -0.04 -0.04 7.74 7.71 2d1gA1 TYR 428 H 0.13 0.52 0.02 -0.55 8.29 8.41 2d1gA1 TYR 428 HA -0.04 0.13 0.81 -0.75 4.56 4.70 2d1gA1 TYR 428 HB2 -0.04 0.04 -0.43 -0.04 3.06 2.59 2d1gA1 TYR 428 HB3 -0.06 0.03 -0.13 -0.04 2.98 2.77 2d1gA1 TYR 428 HD2 -0.08 -0.02 -0.18 -0.04 7.15 6.83 2d1gA1 TYR 428 HE2 -0.08 -0.10 -0.07 -0.04 6.85 6.56 2d1gA1 VAL 429 H -0.56 0.20 0.10 -0.55 8.24 7.43 2d1gA1 VAL 429 HA -0.25 0.31 1.12 -0.75 4.13 4.55 2d1gA1 VAL 429 HB -0.32 -0.00 0.07 -0.04 2.12 1.82 2d1gA1 VAL 429 HG13 -0.23 -0.03 -0.19 -0.04 0.97 0.47 2d1gA1 VAL 429 HG23 -0.06 0.02 -0.29 -0.04 0.95 0.58 2d1gA1 ASP 430 H -0.18 0.61 0.26 -0.55 8.40 8.54 2d1gA1 ASP 430 HA -0.21 0.09 0.74 -0.75 4.63 4.49 2d1gA1 ASP 430 HB2 0.12 0.13 -0.11 -0.04 2.71 2.81 2d1gA1 ASP 430 HB3 -0.07 0.02 0.05 -0.04 2.70 2.66 2d1gA1 HIS 431 H -0.17 0.18 0.14 -0.55 8.41 8.02 2d1gA1 HIS 431 HA -0.10 0.09 0.75 -0.75 4.63 4.61 2d1gA1 HIS 431 HB2 -0.05 -0.00 0.04 -0.04 3.26 3.21 2d1gA1 HIS 431 HB3 -0.06 0.00 0.10 -0.04 3.20 3.21 2d1gA1 HIS 431 HD2 -0.08 -0.03 0.02 -0.04 6.97 6.83 2d1gA1 HIS 431 HE1 -0.10 0.14 -0.00 -0.04 7.75 7.75 2d1gA1 SER 432 H -0.00 -0.02 -0.16 -0.55 8.46 7.73 2d1gA1 SER 432 HA 0.04 0.03 0.41 -0.75 4.49 4.22 2d1gA1 SER 432 HB2 -0.00 -0.02 -0.08 -0.04 3.95 3.81 2d1gA1 SER 432 HB3 0.02 0.10 -0.05 -0.04 3.93 3.95 2d1gA1 LEU 433 H 0.05 0.06 0.18 -0.55 8.37 8.10 2d1gA1 LEU 433 HA 0.10 0.28 0.66 -0.75 4.35 4.63 2d1gA1 LEU 433 HB2 0.08 0.01 0.17 -0.04 1.64 1.85 2d1gA1 LEU 433 HB3 0.07 -0.08 0.23 -0.04 1.64 1.81 2d1gA1 LEU 433 HG 0.08 -0.06 -0.22 -0.04 1.64 1.40 2d1gA1 LEU 433 HD13 0.16 0.06 0.04 -0.04 0.93 1.14 2d1gA1 LEU 433 HD23 0.10 -0.01 0.01 -0.04 0.89 0.95 2d1gA1 LEU 434 H 0.03 0.72 0.41 -0.55 8.37 8.98 2d1gA1 LEU 434 HA 0.00 0.15 0.93 -0.75 4.35 4.68 2d1gA1 LEU 434 HB2 -0.04 -0.09 -0.04 -0.04 1.64 1.43 2d1gA1 LEU 434 HB3 -0.01 -0.00 0.06 -0.04 1.64 1.64 2d1gA1 LEU 434 HG -0.02 0.17 -0.37 -0.04 1.64 1.38 2d1gA1 LEU 434 HD13 -0.04 -0.03 -0.16 -0.04 0.93 0.65 2d1gA1 LEU 434 HD23 0.01 0.04 -0.32 -0.04 0.89 0.58 2d1gA1 ASN 435 H -0.03 0.15 0.18 -0.55 8.53 8.28 2d1gA1 ASN 435 HA -0.10 0.23 0.38 -0.75 4.76 4.52 2d1gA1 ASN 435 HB2 -0.28 0.05 0.06 -0.04 2.88 2.66 2d1gA1 ASN 435 HB3 -0.87 0.14 -0.00 -0.04 2.79 2.02 2d1gA1 ASN 435 HD21 0.11 0.05 -0.13 -0.04 7.03 7.03 2d1gA1 ASN 435 HD22 -0.07 0.04 -0.14 -0.04 7.74 7.53 2d1gA1 GLN 436 H 0.02 0.26 0.18 -0.55 8.47 8.38 2d1gA1 GLN 436 HA 0.08 0.12 0.35 -0.75 4.36 4.16 2d1gA1 GLN 436 HB2 0.09 -0.12 0.11 -0.04 2.15 2.20 2d1gA1 GLN 436 HB3 0.09 0.06 0.00 -0.04 2.02 2.14 2d1gA1 GLN 436 HG2 0.22 0.11 0.01 -0.04 2.40 2.70 2d1gA1 GLN 436 HG3 0.11 0.05 0.01 -0.04 2.39 2.52 2d1gA1 GLN 436 HE21 0.21 0.38 0.18 -0.04 6.97 7.71 2d1gA1 GLN 436 HE22 0.31 0.38 0.18 -0.04 7.69 8.52 2d1gA1 ALA 437 H 0.07 0.07 -0.21 -0.55 8.40 7.78 2d1gA1 ALA 437 HA 0.07 0.17 0.50 -0.75 4.34 4.33 2d1gA1 ALA 437 HB3 0.10 0.01 -0.00 -0.04 1.41 1.48 2d1gA1 SER 438 H 0.05 0.52 -0.48 -0.55 8.46 8.00 2d1gA1 SER 438 HA 0.08 0.16 0.54 -0.75 4.49 4.52 2d1gA1 SER 438 HB2 0.04 0.12 0.09 -0.04 3.95 4.16 2d1gA1 SER 438 HB3 0.05 0.02 -0.01 -0.04 3.93 3.94 2d1gA1 VAL 439 H 0.09 0.45 -0.12 -0.55 8.24 8.11 2d1gA1 VAL 439 HA 0.16 0.04 0.45 -0.75 4.13 4.03 2d1gA1 VAL 439 HB 0.11 0.14 0.16 -0.04 2.12 2.50 2d1gA1 VAL 439 HG13 0.13 -0.01 -0.09 -0.04 0.97 0.96 2d1gA1 VAL 439 HG23 0.08 0.00 0.01 -0.04 0.95 1.00 2d1gA1 LEU 440 H 0.11 0.18 -0.10 -0.55 8.37 8.00 2d1gA1 LEU 440 HA 0.11 0.04 0.47 -0.75 4.35 4.22 2d1gA1 LEU 440 HB2 0.07 0.21 0.12 -0.04 1.64 2.00 2d1gA1 LEU 440 HB3 0.07 0.13 0.14 -0.04 1.64 1.94 2d1gA1 LEU 440 HG 0.02 -0.02 -0.16 -0.04 1.64 1.44 2d1gA1 LEU 440 HD13 0.02 0.00 -0.01 -0.04 0.93 0.91 2d1gA1 LEU 440 HD23 0.03 -0.02 -0.32 -0.04 0.89 0.54 2d1gA1 LYS 441 H 0.10 0.55 -0.18 -0.55 8.42 8.34 2d1gA1 LYS 441 HA 0.07 0.00 0.35 -0.75 4.32 3.99 2d1gA1 LYS 441 HB2 0.07 0.06 0.08 -0.04 1.87 2.05 2d1gA1 LYS 441 HB3 0.10 0.12 0.09 -0.04 1.79 2.05 2d1gA1 LYS 441 HG2 0.04 0.06 -0.36 -0.04 1.46 1.16 2d1gA1 LYS 441 HG3 0.06 -0.13 -0.25 -0.04 1.46 1.10 2d1gA1 LYS 441 HD2 0.05 -0.10 0.01 -0.04 1.69 1.60 2d1gA1 LYS 441 HD3 0.03 0.21 0.01 -0.04 1.68 1.90 2d1gA1 LYS 441 HE2 0.02 0.09 -0.01 -0.04 2.99 3.05 2d1gA1 LYS 441 HE3 0.02 -0.10 -0.03 -0.04 2.99 2.84 2d1gA1 PHE 442 H 0.27 0.51 -0.26 -0.55 8.34 8.31 2d1gA1 PHE 442 HA 0.12 -0.04 0.42 -0.75 4.62 4.37 2d1gA1 PHE 442 HB2 0.12 -0.10 0.12 -0.04 3.15 3.24 2d1gA1 PHE 442 HB3 0.15 0.16 0.12 -0.04 3.06 3.46 2d1gA1 PHE 442 HD2 0.19 -0.04 -0.08 -0.04 7.28 7.30 2d1gA1 PHE 442 HE2 0.13 0.02 -0.10 -0.04 7.38 7.39 2d1gA1 PHE 442 HZ -0.18 0.02 -0.09 -0.04 7.32 7.03 2d1gA1 ILE 443 H 0.24 0.46 -0.14 -0.55 8.25 8.27 2d1gA1 ILE 443 HA 0.40 0.04 0.41 -0.75 4.18 4.28 2d1gA1 ILE 443 HB 0.10 0.10 0.14 -0.04 1.89 2.19 2d1gA1 ILE 443 HG12 0.16 0.00 -0.01 -0.04 1.49 1.59 2d1gA1 ILE 443 HG13 0.29 0.08 0.05 -0.04 1.21 1.59 2d1gA1 ILE 443 HG23 -0.06 -0.01 -0.14 -0.04 0.93 0.67 2d1gA1 ILE 443 HD13 0.08 -0.03 -0.09 -0.04 0.88 0.80 2d1gA1 GLU 444 H 0.07 0.52 -0.15 -0.55 8.60 8.49 2d1gA1 GLU 444 HA 0.00 -0.06 0.34 -0.75 4.29 3.82 2d1gA1 GLU 444 HB2 0.03 0.02 0.11 -0.04 2.09 2.21 2d1gA1 GLU 444 HB3 -0.03 0.26 -0.06 -0.04 1.99 2.12 2d1gA1 GLU 444 HG2 -0.11 0.03 -0.14 -0.04 2.34 2.08 2d1gA1 GLU 444 HG3 -0.02 0.01 -0.01 -0.04 2.34 2.28 2d1gA1 TYR 445 H 0.11 0.62 -0.06 -0.55 8.29 8.41 2d1gA1 TYR 445 HA -0.09 0.02 0.44 -0.75 4.56 4.17 2d1gA1 TYR 445 HB2 -0.04 -0.02 0.11 -0.04 3.06 3.07 2d1gA1 TYR 445 HB3 -0.15 0.08 0.20 -0.04 2.98 3.07 2d1gA1 TYR 445 HD2 -0.15 0.03 -0.05 -0.04 7.15 6.93 2d1gA1 TYR 445 HE2 -0.05 -0.01 -0.06 -0.04 6.85 6.68 2d1gA1 ASN 446 H -0.25 0.60 -0.14 -0.55 8.53 8.19 2d1gA1 ASN 446 HA -0.65 -0.11 0.42 -0.75 4.76 3.67 2d1gA1 ASN 446 HB2 -1.27 0.02 0.11 -0.04 2.88 1.70 2d1gA1 ASN 446 HB3 -1.04 0.07 0.09 -0.04 2.79 1.87 2d1gA1 ASN 446 HD21 -1.16 0.67 0.03 -0.04 7.03 6.52 2d1gA1 ASN 446 HD22 -3.14 -0.05 -0.13 -0.04 7.74 4.38 2d1gA1 TRP 447 H 0.10 0.56 -0.02 -0.55 7.97 8.07 2d1gA1 TRP 447 HA -0.18 0.30 0.92 -0.75 4.62 4.91 2d1gA1 TRP 447 HB2 -0.14 0.05 0.07 -0.04 3.23 3.17 2d1gA1 TRP 447 HB3 -0.12 -0.03 0.10 -0.04 3.23 3.15 2d1gA1 TRP 447 HD1 -0.11 0.03 0.02 -0.04 7.22 7.12 2d1gA1 TRP 447 HE1 -0.11 0.08 -0.00 -0.04 10.20 10.13 2d1gA1 TRP 447 HE3 -0.19 0.21 0.13 -0.04 7.59 7.70 2d1gA1 TRP 447 HZ2 -0.08 0.18 -0.38 -0.04 7.44 7.12 2d1gA1 TRP 447 HZ3 -0.06 -0.11 -0.09 -0.04 7.13 6.82 2d1gA1 TRP 447 HH2 0.08 -0.11 -0.21 -0.04 7.19 6.91 2d1gA1 GLY 448 H -0.10 0.26 -0.31 -0.55 8.43 7.74 2d1gA1 GLY 448 HA2 -0.11 -0.00 0.25 -0.51 4.01 3.65 2d1gA1 GLY 448 HA3 -0.07 0.04 0.36 -0.51 4.01 3.83 2d1gA1 ILE 449 H -0.03 0.62 0.21 -0.55 8.25 8.50 2d1gA1 ILE 449 HA -0.06 0.10 0.82 -0.75 4.18 4.28 2d1gA1 ILE 449 HB -0.07 -0.07 0.01 -0.04 1.89 1.71 2d1gA1 ILE 449 HG12 -0.01 -0.00 -0.15 -0.04 1.49 1.29 2d1gA1 ILE 449 HG13 0.00 0.11 -0.61 -0.04 1.21 0.68 2d1gA1 ILE 449 HG23 -0.30 0.05 -0.10 -0.04 0.93 0.53 2d1gA1 ILE 449 HD13 -0.05 -0.02 -0.22 -0.04 0.88 0.56 2d1gA1 GLY 450 H -0.14 0.09 0.03 -0.55 8.43 7.85 2d1gA1 GLY 450 HA2 -0.08 0.16 0.58 -0.51 4.01 4.16 2d1gA1 GLY 450 HA3 -0.09 -0.01 0.32 -0.51 4.01 3.71 2d1gA1 SER 451 H -0.09 0.09 0.06 -0.55 8.46 7.98 2d1gA1 SER 451 HA -0.10 0.04 0.45 -0.75 4.49 4.13 2d1gA1 SER 451 HB2 -0.07 0.04 0.06 -0.04 3.95 3.94 2d1gA1 SER 451 HB3 -0.06 0.02 0.03 -0.04 3.93 3.88 2d1gA1 VAL 452 H -0.07 0.08 0.12 -0.55 8.24 7.82 2d1gA1 VAL 452 HA -0.36 0.16 0.35 -0.75 4.13 3.53 2d1gA1 VAL 452 HB 0.22 -0.01 -0.22 -0.04 2.12 2.07 2d1gA1 VAL 452 HG13 -0.16 0.00 -0.14 -0.04 0.97 0.63 2d1gA1 VAL 452 HG23 0.06 -0.04 0.05 -0.04 0.95 0.97 2d1gA1 SER 453 H 0.05 0.17 -0.01 -0.55 8.46 8.11 2d1gA1 SER 453 HA 0.07 0.16 0.50 -0.75 4.49 4.47 2d1gA1 SER 453 HB2 0.13 -0.04 0.22 -0.04 3.95 4.22 2d1gA1 SER 453 HB3 0.18 0.10 -0.18 -0.04 3.93 3.98 2d1gA1 LYS 454 H -0.13 0.19 0.15 -0.55 8.42 8.08 2d1gA1 LYS 454 HA -0.03 0.14 0.48 -0.75 4.32 4.15 2d1gA1 LYS 454 HB2 -0.13 0.05 0.12 -0.04 1.87 1.86 2d1gA1 LYS 454 HB3 -0.14 0.01 0.12 -0.04 1.79 1.74 2d1gA1 LYS 454 HG2 -0.69 -0.10 0.06 -0.04 1.46 0.69 2d1gA1 LYS 454 HG3 -0.89 0.06 -0.22 -0.04 1.46 0.36 2d1gA1 LYS 454 HD2 -0.17 0.02 0.00 -0.04 1.69 1.50 2d1gA1 LYS 454 HD3 -0.19 -0.01 0.02 -0.04 1.68 1.46 2d1gA1 LYS 454 HE2 -0.33 -0.02 -0.02 -0.04 2.99 2.58 2d1gA1 LYS 454 HE3 -0.28 0.02 -0.05 -0.04 2.99 2.64 2d1gA1 TYR 455 H 0.03 -0.04 -0.43 -0.55 8.29 7.30 2d1gA1 TYR 455 HA 0.16 0.17 0.57 -0.75 4.56 4.71 2d1gA1 TYR 455 HB2 0.08 0.03 -0.05 -0.04 3.06 3.07 2d1gA1 TYR 455 HB3 0.06 0.02 0.04 -0.04 2.98 3.06 2d1gA1 TYR 455 HD2 0.13 -0.01 -0.04 -0.04 7.15 7.19 2d1gA1 TYR 455 HE2 0.05 -0.05 -0.12 -0.04 6.85 6.69 2d1gA1 SER 456 H 0.13 0.26 -0.30 -0.55 8.46 8.01 2d1gA1 SER 456 HA 0.03 0.25 0.16 -0.75 4.49 4.17 2d1gA1 SER 456 HB2 0.10 0.02 0.12 -0.04 3.95 4.15 2d1gA1 SER 456 HB3 0.06 -0.07 0.13 -0.04 3.93 4.02 2d1gA1 ASN 457 H 0.05 0.60 0.39 -0.55 8.53 9.02 2d1gA1 ASN 457 HA 0.60 0.15 0.71 -0.75 4.76 5.46 2d1gA1 ASN 457 HB2 0.17 0.17 0.20 -0.04 2.88 3.38 2d1gA1 ASN 457 HB3 0.20 -0.08 0.07 -0.04 2.79 2.94 2d1gA1 ASN 457 HD21 0.54 0.06 -0.04 -0.04 7.03 7.55 2d1gA1 ASN 457 HD22 0.30 -0.10 -0.04 -0.04 7.74 7.87 2d1gA1 ASP 458 H 0.08 0.11 -0.21 -0.55 8.40 7.84 2d1gA1 ASP 458 HA 0.08 0.11 0.43 -0.75 4.63 4.49 2d1gA1 ASP 458 HB2 0.02 0.10 -0.06 -0.04 2.71 2.73 2d1gA1 ASP 458 HB3 0.04 0.01 0.02 -0.04 2.70 2.73 2d1gA1 LYS 459 H -0.06 0.16 -0.32 -0.55 8.42 7.64 2d1gA1 LYS 459 HA -0.12 0.12 0.33 -0.75 4.32 3.90 2d1gA1 LYS 459 HB2 -0.33 0.03 0.08 -0.04 1.87 1.61 2d1gA1 LYS 459 HB3 -0.17 -0.07 0.06 -0.04 1.79 1.56 2d1gA1 LYS 459 HG2 -0.22 0.14 0.03 -0.04 1.46 1.37 2d1gA1 LYS 459 HG3 -1.37 0.01 -0.13 -0.04 1.46 -0.08 2d1gA1 LYS 459 HD2 -0.11 0.07 -0.01 -0.04 1.69 1.60 2d1gA1 LYS 459 HD3 -0.31 -0.02 -0.03 -0.04 1.68 1.28 2d1gA1 LYS 459 HE2 -0.08 -0.01 -0.02 -0.04 2.99 2.84 2d1gA1 LYS 459 HE3 -0.12 -0.06 0.00 -0.04 2.99 2.78 2d1gA1 TYR 460 H 0.04 0.35 -0.49 -0.55 8.29 7.63 2d1gA1 TYR 460 HA 0.05 0.20 0.83 -0.75 4.56 4.88 2d1gA1 TYR 460 HB2 0.14 -0.00 0.07 -0.04 3.06 3.23 2d1gA1 TYR 460 HB3 0.07 -0.03 0.15 -0.04 2.98 3.13 2d1gA1 TYR 460 HD2 0.13 0.01 0.00 -0.04 7.15 7.25 2d1gA1 TYR 460 HE2 -0.04 0.04 -0.06 -0.04 6.85 6.75 2d1gA1 SER 461 H 0.10 0.42 -0.18 -0.55 8.46 8.25 2d1gA1 SER 461 HA 0.14 0.03 0.48 -0.75 4.49 4.38 2d1gA1 SER 461 HB2 0.09 0.13 0.01 -0.04 3.95 4.14 2d1gA1 SER 461 HB3 0.08 -0.02 -0.17 -0.04 3.93 3.77 2d1gA1 ASN 462 H 0.07 0.14 0.21 -0.55 8.53 8.41 2d1gA1 ASN 462 HA 0.04 0.06 0.66 -0.75 4.76 4.77 2d1gA1 ASN 462 HB2 0.04 0.23 0.18 -0.04 2.88 3.28 2d1gA1 ASN 462 HB3 0.02 -0.04 0.12 -0.04 2.79 2.85 2d1gA1 ASN 462 HD21 0.06 -0.07 0.09 -0.04 7.03 7.07 2d1gA1 ASN 462 HD22 0.05 0.45 0.23 -0.04 7.74 8.43 2d1gA1 ASN 463 H -0.00 0.07 0.15 -0.55 8.53 8.20 2d1gA1 ASN 463 HA 0.06 0.19 0.56 -0.75 4.76 4.82 2d1gA1 ASN 463 HB2 -0.09 0.10 0.10 -0.04 2.88 2.95 2d1gA1 ASN 463 HB3 -0.08 -0.12 0.03 -0.04 2.79 2.58 2d1gA1 ASN 463 HD21 -0.58 0.07 -0.01 -0.04 7.03 6.46 2d1gA1 ASN 463 HD22 -0.74 0.03 -0.01 -0.04 7.74 6.98 2d1gA1 ILE 464 H 0.12 0.20 0.07 -0.55 8.25 8.09 2d1gA1 ILE 464 HA -0.03 0.22 0.68 -0.75 4.18 4.30 2d1gA1 ILE 464 HB -0.16 -0.00 0.06 -0.04 1.89 1.76 2d1gA1 ILE 464 HG12 0.02 -0.00 0.01 -0.04 1.49 1.47 2d1gA1 ILE 464 HG13 -0.04 0.01 -0.23 -0.04 1.21 0.91 2d1gA1 ILE 464 HG23 -0.00 0.03 -0.20 -0.04 0.93 0.72 2d1gA1 ILE 464 HD13 -0.46 0.02 -0.09 -0.04 0.88 0.30 2d1gA1 LEU 465 H 0.03 0.12 -0.30 -0.55 8.37 7.67 2d1gA1 LEU 465 HA 0.29 0.12 0.16 -0.75 4.35 4.17 2d1gA1 LEU 465 HB2 0.01 0.01 0.01 -0.04 1.64 1.63 2d1gA1 LEU 465 HB3 0.13 0.08 0.06 -0.04 1.64 1.87 2d1gA1 LEU 465 HG -0.04 -0.17 0.02 -0.04 1.64 1.41 2d1gA1 LEU 465 HD13 -0.43 0.03 -0.02 -0.04 0.93 0.47 2d1gA1 LEU 465 HD23 0.36 0.03 -0.07 -0.04 0.89 1.17 2d1gA1 ASN 466 H -0.02 0.06 -0.33 -0.55 8.53 7.70 2d1gA1 ASN 466 HA -0.06 0.19 0.54 -0.75 4.76 4.67 2d1gA1 ASN 466 HB2 0.01 -0.03 0.05 -0.04 2.88 2.86 2d1gA1 ASN 466 HB3 0.02 -0.04 -0.05 -0.04 2.79 2.67 2d1gA1 ASN 466 HD21 0.23 0.05 0.04 -0.04 7.03 7.31 2d1gA1 ASN 466 HD22 0.12 -0.15 0.02 -0.04 7.74 7.69 2d1gA1 MET 467 H -0.17 0.42 -0.38 -0.55 8.47 7.79 2d1gA1 MET 467 HA -0.19 0.15 0.73 -0.75 4.52 4.46 2d1gA1 MET 467 HB2 -0.49 0.13 0.02 -0.04 2.15 1.78 2d1gA1 MET 467 HB3 -0.34 -0.02 0.08 -0.04 2.03 1.71 2d1gA1 MET 467 HG2 -0.07 0.02 -0.13 -0.04 2.63 2.41 2d1gA1 MET 467 HG3 -0.11 -0.12 -0.17 -0.04 2.56 2.11 2d1gA1 MET 467 HE3 -0.12 -0.00 -0.36 -0.04 2.10 1.57 2d1gA1 PHE 468 H -0.18 0.34 -0.24 -0.55 8.34 7.70 2d1gA1 PHE 468 HA -0.31 0.22 0.88 -0.75 4.62 4.66 2d1gA1 PHE 468 HB2 -0.64 0.03 0.06 -0.04 3.15 2.55 2d1gA1 PHE 468 HB3 -1.52 0.01 -0.13 -0.04 3.06 1.38 2d1gA1 PHE 468 HD2 -0.15 -0.00 -0.29 -0.04 7.28 6.79 2d1gA1 PHE 468 HE2 -0.34 -0.04 -0.18 -0.04 7.38 6.79 2d1gA1 PHE 468 HZ -0.29 -0.01 -0.14 -0.04 7.32 6.84 2d1gA1 ASP 469 H -0.13 0.78 0.13 -0.55 8.40 8.64 2d1gA1 ASP 469 HA -0.15 0.09 0.71 -0.75 4.63 4.53 2d1gA1 ASP 469 HB2 -0.15 0.06 -0.01 -0.04 2.71 2.57 2d1gA1 ASP 469 HB3 -0.06 0.12 0.15 -0.04 2.70 2.86 2d1gA1 PHE 470 H -0.10 0.18 -0.00 -0.55 8.34 7.86 2d1gA1 PHE 470 HA 0.08 0.21 0.59 -0.75 4.62 4.75 2d1gA1 PHE 470 HB2 -0.07 -0.02 0.05 -0.04 3.15 3.06 2d1gA1 PHE 470 HB3 -0.17 0.06 0.14 -0.04 3.06 3.05 2d1gA1 PHE 470 HD2 -0.44 0.05 -0.02 -0.04 7.28 6.84 2d1gA1 PHE 470 HE2 -0.46 -0.01 -0.08 -0.04 7.38 6.80 2d1gA1 PHE 470 HZ -1.17 -0.02 -0.09 -0.04 7.32 6.00 2d1gA1 ASN 471 H 0.07 -0.07 -0.31 -0.55 8.53 7.68 2d1gA1 ASN 471 HA 0.08 0.24 0.73 -0.75 4.76 5.05 2d1gA1 ASN 471 HB2 0.03 -0.03 -0.01 -0.04 2.88 2.83 2d1gA1 ASN 471 HB3 0.03 0.00 0.01 -0.04 2.79 2.80 2d1gA1 ASN 471 HD21 0.05 0.01 -0.02 -0.04 7.03 7.03 2d1gA1 ASN 471 HD22 0.03 0.00 -0.01 -0.04 7.74 7.73 2d1gA1 LYS 472 H 0.05 0.06 -0.17 -0.55 8.42 7.81 2d1gA1 LYS 472 HA 0.02 -0.02 0.38 -0.75 4.32 3.96 2d1gA1 LYS 472 HB2 0.01 -0.07 0.09 -0.04 1.87 1.85 2d1gA1 LYS 472 HB3 0.00 -0.06 0.08 -0.04 1.79 1.77 2d1gA1 LYS 472 HG2 0.04 0.13 0.03 -0.04 1.46 1.62 2d1gA1 LYS 472 HG3 0.02 0.16 -0.17 -0.04 1.46 1.43 2d1gA1 LYS 472 HD2 -0.01 -0.09 0.02 -0.04 1.69 1.57 2d1gA1 LYS 472 HD3 -0.03 -0.09 0.01 -0.04 1.68 1.54 2d1gA1 LYS 472 HE2 -0.01 0.03 -0.00 -0.04 2.99 2.97 2d1gA1 LYS 472 HE3 -0.01 0.04 -0.07 -0.04 2.99 2.91 2d1gA1 GLU 473 H 0.02 0.03 0.17 -0.55 8.60 8.27 2d1gA1 GLU 473 HA 0.03 0.17 0.35 -0.75 4.29 4.09 2d1gA1 GLN 474 H 0.01 0.03 -0.09 -0.55 8.47 7.87 2d1gA1 GLN 474 HA 0.00 0.14 0.93 -0.75 4.36 4.68 2d1gA1 GLN 474 HB2 0.00 -0.05 0.09 -0.04 2.15 2.15 2d1gA1 GLN 474 HB3 0.00 0.12 0.00 -0.04 2.02 2.10 2d1gA1 LYS 475 H -0.01 0.06 0.12 -0.55 8.42 8.03 2d1gA1 LYS 475 HA -0.08 0.19 0.50 -0.75 4.32 4.18 2d1gA1 LYS 475 HB2 -0.01 -0.10 0.04 -0.04 1.87 1.76 2d1gA1 LYS 475 HB3 -0.11 0.10 0.11 -0.04 1.79 1.85 2d1gA1 LYS 475 HG2 -0.06 -0.05 0.05 -0.04 1.46 1.37 2d1gA1 LYS 475 HG3 -0.09 -0.05 0.04 -0.04 1.46 1.33 2d1gA1 LYS 475 HD2 -0.56 0.02 -0.01 -0.04 1.69 1.10 2d1gA1 LYS 475 HD3 -0.26 0.07 -0.07 -0.04 1.68 1.37 2d1gA1 LYS 475 HE2 -0.25 0.03 -0.02 -0.04 2.99 2.70 2d1gA1 LYS 475 HE3 -0.03 0.00 -0.03 -0.04 2.99 2.89 2d1gA1 THR 476 H -0.03 0.65 0.34 -0.55 8.28 8.69 2d1gA1 THR 476 HA 0.02 -0.03 0.60 -0.75 4.39 4.22 2d1gA1 THR 476 HB 0.17 -0.08 0.24 -0.04 4.32 4.61 2d1gA1 THR 476 HG23 -0.01 -0.01 0.05 -0.04 1.22 1.21 2d1gA1 LEU 477 H 0.02 0.08 0.19 -0.55 8.37 8.12 2d1gA1 LEU 477 HA 0.17 0.02 0.35 -0.75 4.35 4.13 2d1gA1 LEU 477 HB2 0.00 0.02 0.07 -0.04 1.64 1.69 2d1gA1 LEU 477 HB3 0.05 0.00 0.09 -0.04 1.64 1.74 2d1gA1 LEU 477 HG 0.02 0.04 0.12 -0.04 1.64 1.77 2d1gA1 LEU 477 HD13 0.00 -0.02 0.04 -0.04 0.93 0.91 2d1gA1 LEU 477 HD23 0.05 -0.00 -0.01 -0.04 0.89 0.88 2d1gA1 LYS 478 H 0.14 0.05 0.13 -0.55 8.42 8.18 2d1gA1 LYS 478 HA 0.08 0.10 0.47 -0.75 4.32 4.22 2d1gA1 LYS 478 HB2 -0.07 -0.06 -0.01 -0.04 1.87 1.70 2d1gA1 LYS 478 HB3 -0.26 -0.03 -0.06 -0.04 1.79 1.40 2d1gA1 LYS 478 HG2 -0.87 0.05 0.01 -0.04 1.46 0.61 2d1gA1 LYS 478 HG3 0.02 -0.03 0.06 -0.04 1.46 1.47 2d1gA1 LYS 478 HD2 -0.14 -0.09 -0.06 -0.04 1.69 1.36 2d1gA1 LYS 478 HD3 -0.41 0.02 -0.15 -0.04 1.68 1.10 2d1gA1 LYS 478 HE2 -0.14 0.16 0.05 -0.04 2.99 3.01 2d1gA1 LYS 478 HE3 0.04 -0.08 0.00 -0.04 2.99 2.91 2d1gA1 LEU 479 H 0.12 0.19 0.01 -0.55 8.37 8.15 2d1gA1 LEU 479 HA 0.07 0.17 0.81 -0.75 4.35 4.64 2d1gA1 LEU 479 HB2 0.27 0.14 -0.14 -0.04 1.64 1.87 2d1gA1 LEU 479 HB3 0.49 -0.05 0.06 -0.04 1.64 2.10 2d1gA1 LEU 479 HG 0.06 -0.07 -0.39 -0.04 1.64 1.19 2d1gA1 LEU 479 HD13 0.03 0.01 -0.06 -0.04 0.93 0.86 2d1gA1 LEU 479 HD23 0.11 0.00 -0.25 -0.04 0.89 0.71 2d1gA1 ILE 480 H 0.00 0.22 -0.02 -0.55 8.25 7.90 2d1gA1 ILE 480 HA -0.02 0.12 0.75 -0.75 4.18 4.27 2d1gA1 ILE 480 HB -0.03 0.00 0.09 -0.04 1.89 1.91 2d1gA1 ILE 480 HG12 -0.06 -0.02 -0.16 -0.04 1.49 1.21 2d1gA1 ILE 480 HG13 -0.07 0.03 -0.06 -0.04 1.21 1.08 2d1gA1 ILE 480 HG23 -0.05 -0.00 -0.10 -0.04 0.93 0.74 2d1gA1 ILE 480 HD13 -0.13 0.03 -0.17 -0.04 0.88 0.57 2d1gA1 LEU 481 H -0.01 0.20 0.12 -0.55 8.37 8.13 2d1gA1 LEU 481 HA -0.03 0.20 0.84 -0.75 4.35 4.61 2d1gA1 LEU 481 HB2 -0.04 -0.06 -0.17 -0.04 1.64 1.33 2d1gA1 LEU 481 HB3 -0.06 -0.03 -0.30 -0.04 1.64 1.21 2d1gA1 LEU 481 HG -0.06 0.05 -0.42 -0.04 1.64 1.17 2d1gA1 LEU 481 HD13 -0.41 0.01 -0.12 -0.04 0.93 0.37 2d1gA1 LEU 481 HD23 -0.06 0.04 -0.51 -0.04 0.89 0.33 2d1gA1 ASP 482 H -0.03 0.75 0.09 -0.55 8.40 8.66 2d1gA1 ASP 482 HA -0.03 0.19 0.64 -0.75 4.63 4.68 2d1gA1 ASP 482 HB2 -0.02 0.14 0.01 -0.04 2.71 2.80 2d1gA1 ASP 482 HB3 -0.02 -0.18 0.17 -0.04 2.70 2.62 2d1gA1 PRO 483 HA -0.01 0.10 0.31 -0.51 4.44 4.33 2d1gA1 PRO 483 HB2 -0.00 0.03 0.03 -0.04 2.28 2.29 2d1gA1 PRO 483 HB3 -0.01 0.06 0.13 -0.04 2.02 2.15 2d1gA1 PRO 483 HG2 -0.02 0.01 0.07 -0.04 2.03 2.04 2d1gA1 PRO 483 HG3 -0.03 0.08 0.07 -0.04 2.03 2.12 2d1gA1 PRO 483 HD2 -0.02 0.06 0.25 -0.04 3.68 3.92 2d1gA1 PRO 483 HD3 -0.03 0.32 0.21 -0.04 3.65 4.11 2d1gA1 LYS 484 H -0.02 0.05 -0.39 -0.55 8.42 7.50 2d1gA1 LYS 484 HA -0.02 0.15 0.52 -0.75 4.32 4.22 2d1gA1 LYS 484 HB2 -0.02 -0.03 -0.01 -0.04 1.87 1.78 2d1gA1 LYS 484 HB3 -0.02 0.05 0.03 -0.04 1.79 1.82 2d1gA1 LYS 484 HG2 -0.01 -0.06 -0.01 -0.04 1.46 1.33 2d1gA1 LYS 484 HG3 -0.01 0.03 -0.00 -0.04 1.46 1.43 2d1gA1 LYS 484 HD2 -0.01 0.03 0.02 -0.04 1.69 1.68 2d1gA1 LYS 484 HD3 -0.00 0.00 -0.10 -0.04 1.68 1.53 2d1gA1 LYS 484 HE2 -0.00 -0.01 -0.02 -0.04 2.99 2.92 2d1gA1 LYS 484 HE3 -0.01 0.02 -0.01 -0.04 2.99 2.95 2d1gA1 THR 485 H -0.03 0.13 -0.16 -0.55 8.28 7.68 2d1gA1 THR 485 HA -0.04 0.31 0.98 -0.75 4.39 4.88 2d1gA1 THR 485 HB -0.02 0.05 0.06 -0.04 4.32 4.37 2d1gA1 THR 485 HG23 -0.02 0.01 -0.15 -0.04 1.22 1.02 2d1gA1 GLY 486 H -0.04 0.55 0.11 -0.55 8.43 8.51 2d1gA1 GLY 486 HA2 -0.06 0.04 0.23 -0.51 4.01 3.71 2d1gA1 GLY 486 HA3 -0.06 -0.12 0.46 -0.51 4.01 3.77 2d1gA1 LEU 487 H -0.03 -0.06 -0.36 -0.55 8.37 7.38 2d1gA1 LEU 487 HA 0.00 0.21 0.59 -0.75 4.35 4.40 2d1gA1 LEU 487 HB2 -0.01 -0.09 -0.04 -0.04 1.64 1.45 2d1gA1 LEU 487 HB3 -0.01 0.08 0.02 -0.04 1.64 1.70 2d1gA1 LEU 487 HG -0.01 0.04 -0.17 -0.04 1.64 1.46 2d1gA1 LEU 487 HD13 -0.01 -0.03 0.00 -0.04 0.93 0.85 2d1gA1 LEU 487 HD23 0.02 -0.00 -0.08 -0.04 0.89 0.79 2d1gA1 VAL 488 H -0.01 0.15 0.10 -0.55 8.24 7.93 2d1gA1 VAL 488 HA -0.02 0.15 0.39 -0.75 4.13 3.90 2d1gA1 VAL 488 HB -0.01 -0.04 0.09 -0.04 2.12 2.11 2d1gA1 VAL 488 HG13 -0.01 0.04 -0.04 -0.04 0.97 0.92 2d1gA1 VAL 488 HG23 -0.01 0.01 0.03 -0.04 0.95 0.94 2d1gA1 MET 489 H -0.02 0.71 0.22 -0.55 8.47 8.83 2d1gA1 MET 489 HA -0.02 0.06 0.10 -0.75 4.52 3.91 2d1gA1 MET 489 HB2 -0.03 -0.05 -0.44 -0.04 2.15 1.60 2d1gA1 MET 489 HB3 -0.03 0.04 -0.10 -0.04 2.03 1.90 2d1gA1 MET 489 HG2 -0.03 0.01 -0.09 -0.04 2.63 2.48 2d1gA1 MET 489 HG3 -0.02 0.00 -0.04 -0.04 2.56 2.46 2d1gA1 MET 489 HE3 -0.02 0.00 -0.03 -0.04 2.10 2.01