============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 54 rings ring int. center anis. iso. TRP 4 1.040 15.041 61.946 36.060 -99.200 -91.000 TRP6 4 1.020 16.193 63.263 37.635 -99.200 -91.000 TRP 5 1.040 13.683 59.567 41.381 -99.200 -91.000 TRP6 5 1.020 11.999 59.824 39.750 -99.200 -91.000 HIS 6 0.900 14.400 54.948 41.390 -99.200 -91.000 TYR 11 0.840 27.208 69.570 42.992 -99.200 -91.000 PHE 19 1.000 28.626 75.463 41.152 -99.200 -91.000 HIS 22 0.900 35.545 86.523 42.809 -99.200 -91.000 TYR 36 0.840 33.348 70.253 39.377 -99.200 -91.000 HIS 51 0.900 10.771 82.017 43.597 -99.200 -91.000 PHE 70 1.000 19.334 84.300 41.191 -99.200 -91.000 PHE 76 1.000 15.207 77.151 33.622 -99.200 -91.000 TYR 98 0.840 14.616 82.872 46.717 -99.200 -91.000 TRP 104 1.040 6.455 76.615 53.137 -99.200 -91.000 TRP6 104 1.020 5.917 76.110 50.895 -99.200 -91.000 PHE 105 1.000 5.550 84.541 51.041 -99.200 -91.000 PHE 122 1.000 6.174 79.691 32.853 -99.200 -91.000 TRP 123 1.040 8.994 77.584 36.465 -99.200 -91.000 TRP6 123 1.020 10.542 78.773 35.134 -99.200 -91.000 PHE 131 1.000 8.573 71.820 39.266 -99.200 -91.000 PHE 145 1.000 -1.883 73.151 50.606 -99.200 -91.000 TRP 149 1.040 1.497 71.692 45.285 -99.200 -91.000 TRP6 149 1.020 2.575 72.473 47.239 -99.200 -91.000 PHE 156 1.000 4.936 67.923 31.147 -99.200 -91.000 TYR 190 0.840 15.958 58.594 60.903 -99.200 -91.000 HIS 200 0.900 21.376 56.587 67.872 -99.200 -91.000 TYR 208 0.840 13.261 56.428 56.278 -99.200 -91.000 TRP 216 1.040 14.537 55.404 45.080 -99.200 -91.000 TRP6 216 1.020 16.287 53.938 44.480 -99.200 -91.000 TRP 219 1.040 19.586 56.315 52.182 -99.200 -91.000 TRP6 219 1.020 18.666 56.032 54.339 -99.200 -91.000 PHE 230 1.000 23.739 68.838 59.863 -99.200 -91.000 TYR 239 0.840 28.257 59.925 58.991 -99.200 -91.000 PHE 244 1.000 28.482 59.013 46.063 -99.200 -91.000 PHE 252 1.000 26.654 63.324 48.359 -99.200 -91.000 TYR 254 0.840 27.490 75.720 46.743 -99.200 -91.000 TRP 277 1.040 35.027 77.268 41.230 -99.200 -91.000 TRP6 277 1.020 33.996 75.299 40.425 -99.200 -91.000 PHE 282 1.000 37.611 84.033 51.500 -99.200 -91.000 PHE 309 1.000 30.931 63.496 45.402 -99.200 -91.000 HIS 324 0.900 18.067 47.453 39.533 -99.200 -91.000 PHE 327 1.000 20.834 47.788 53.852 -99.200 -91.000 HIS 328 0.900 19.039 41.239 52.253 -99.200 -91.000 PHE 330 1.000 27.236 40.671 56.804 -99.200 -91.000 PHE 337 1.000 24.916 50.441 58.673 -99.200 -91.000 TYR 339 0.840 25.852 49.078 53.885 -99.200 -91.000 HIS 342 0.900 21.196 40.163 46.925 -99.200 -91.000 TRP 343 1.040 18.629 43.848 40.011 -99.200 -91.000 TRP6 343 1.020 16.647 43.976 41.291 -99.200 -91.000 PHE 349 1.000 29.801 46.499 43.922 -99.200 -91.000 PHE 355 1.000 29.591 54.870 61.512 -99.200 -91.000 HIS 405 0.900 38.031 57.953 63.497 -99.200 -91.000 PHE 412 1.000 30.863 39.467 47.670 -99.200 -91.000 TYR 414 0.840 24.219 34.223 41.352 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2dh3A1 ALA 114 HA -0.03 -0.05 0.13 -0.75 4.34 3.64 2dh3A1 ALA 114 HB3 -0.04 -0.01 0.02 -0.04 1.41 1.34 2dh3A1 GLN 115 H -0.10 0.14 0.09 -0.55 8.47 8.05 2dh3A1 GLN 115 HA -0.28 0.12 0.84 -0.75 4.36 4.29 2dh3A1 GLN 115 HB2 -0.17 -0.03 0.06 -0.04 2.15 1.97 2dh3A1 GLN 115 HB3 -0.34 0.14 -0.09 -0.04 2.02 1.69 2dh3A1 GLN 115 HG2 -0.30 -0.02 0.04 -0.04 2.40 2.08 2dh3A1 GLN 115 HG3 -0.14 -0.07 -0.09 -0.04 2.39 2.05 2dh3A1 GLN 115 HE21 -0.32 0.12 -0.07 -0.04 6.97 6.65 2dh3A1 GLN 115 HE22 -0.17 -0.09 -0.05 -0.04 7.69 7.34 2dh3A1 LYS 116 H -0.61 0.12 0.08 -0.55 8.42 7.46 2dh3A1 LYS 116 HA -0.29 0.08 0.56 -0.75 4.32 3.92 2dh3A1 LYS 116 HB2 -1.21 -0.03 0.04 -0.04 1.87 0.63 2dh3A1 LYS 116 HB3 -0.56 0.05 0.06 -0.04 1.79 1.30 2dh3A1 LYS 116 HG2 -1.25 0.00 0.12 -0.04 1.46 0.29 2dh3A1 LYS 116 HG3 -2.02 -0.07 -0.06 -0.04 1.46 -0.73 2dh3A1 LYS 116 HD2 -0.98 0.01 0.00 -0.04 1.69 0.69 2dh3A1 LYS 116 HD3 -1.30 0.04 -0.00 -0.04 1.68 0.38 2dh3A1 LYS 116 HE2 -0.32 0.05 0.01 -0.04 2.99 2.69 2dh3A1 LYS 116 HE3 -0.48 -0.02 0.03 -0.04 2.99 2.49 2dh3A1 TRP 117 H -0.08 0.13 0.13 -0.55 7.97 7.60 2dh3A1 TRP 117 HA -0.12 0.16 -0.05 -0.75 4.62 3.86 2dh3A1 TRP 117 HB2 0.05 0.08 0.02 -0.04 3.23 3.34 2dh3A1 TRP 117 HB3 0.01 0.02 0.11 -0.04 3.23 3.33 2dh3A1 TRP 117 HD1 0.17 0.01 0.08 -0.04 7.22 7.43 2dh3A1 TRP 117 HE1 0.28 0.23 -0.01 -0.04 10.20 10.66 2dh3A1 TRP 117 HE3 0.17 0.05 -0.51 -0.04 7.59 7.25 2dh3A1 TRP 117 HZ2 0.04 0.10 -0.15 -0.04 7.44 7.40 2dh3A1 TRP 117 HZ3 0.16 -0.01 -0.34 -0.04 7.13 6.90 2dh3A1 TRP 117 HH2 0.05 -0.09 -0.26 -0.04 7.19 6.85 2dh3A1 TRP 118 H -1.00 0.05 -0.15 -0.55 7.97 6.33 2dh3A1 TRP 118 HA -0.21 0.15 0.41 -0.75 4.62 4.21 2dh3A1 TRP 118 HB2 -0.39 0.03 0.02 -0.04 3.23 2.85 2dh3A1 TRP 118 HB3 -1.68 -0.05 -0.04 -0.04 3.23 1.41 2dh3A1 TRP 118 HD1 0.06 0.04 -0.23 -0.04 7.22 7.05 2dh3A1 TRP 118 HE1 -0.02 0.03 -0.11 -0.04 10.20 10.06 2dh3A1 TRP 118 HE3 -1.97 -0.02 -0.11 -0.04 7.59 5.44 2dh3A1 TRP 118 HZ2 -0.10 0.04 -0.01 -0.04 7.44 7.33 2dh3A1 TRP 118 HZ3 -0.19 -0.07 -0.32 -0.04 7.13 6.51 2dh3A1 TRP 118 HH2 -0.11 0.26 0.04 -0.04 7.19 7.34 2dh3A1 HIS 119 H -0.52 0.31 -0.34 -0.55 8.41 7.31 2dh3A1 HIS 119 HA 0.04 0.11 0.67 -0.75 4.63 4.70 2dh3A1 HIS 119 HB2 -0.70 0.12 0.04 -0.04 3.26 2.68 2dh3A1 HIS 119 HB3 -0.78 0.16 0.10 -0.04 3.20 2.64 2dh3A1 HIS 119 HD2 -1.51 0.06 0.05 -0.04 6.97 5.52 2dh3A1 HIS 119 HE1 -0.90 -0.02 -0.05 -0.04 7.75 6.73 2dh3A1 THR 120 H 0.05 0.30 -0.29 -0.55 8.28 7.79 2dh3A1 THR 120 HA 0.01 0.25 0.54 -0.75 4.39 4.43 2dh3A1 THR 120 HB 0.03 0.02 0.15 -0.04 4.32 4.47 2dh3A1 THR 120 HG23 -0.08 -0.03 -0.12 -0.04 1.22 0.95 2dh3A1 GLY 121 H 0.18 0.22 -0.22 -0.55 8.43 8.06 2dh3A1 GLY 121 HA2 0.17 0.15 0.31 -0.51 4.01 4.13 2dh3A1 GLY 121 HA3 0.18 0.02 0.45 -0.51 4.01 4.15 2dh3A1 ALA 122 H 0.25 0.21 0.21 -0.55 8.40 8.53 2dh3A1 ALA 122 HA 0.14 0.27 0.65 -0.75 4.34 4.64 2dh3A1 ALA 122 HB3 0.35 -0.01 0.04 -0.04 1.41 1.75 2dh3A1 LEU 123 H 0.13 0.70 0.41 -0.55 8.37 9.06 2dh3A1 LEU 123 HA 0.25 0.31 0.99 -0.75 4.35 5.15 2dh3A1 LEU 123 HB2 0.07 -0.04 0.07 -0.04 1.64 1.71 2dh3A1 LEU 123 HB3 0.13 -0.09 -0.09 -0.04 1.64 1.55 2dh3A1 LEU 123 HG 0.18 0.16 -0.20 -0.04 1.64 1.74 2dh3A1 LEU 123 HD13 0.05 -0.03 -0.16 -0.04 0.93 0.75 2dh3A1 LEU 123 HD23 0.34 0.00 -0.14 -0.04 0.89 1.05 2dh3A1 TYR 124 H 0.28 0.54 0.31 -0.55 8.29 8.87 2dh3A1 TYR 124 HA 0.21 0.13 0.74 -0.75 4.56 4.88 2dh3A1 TYR 124 HB2 0.17 0.09 -0.11 -0.04 3.06 3.17 2dh3A1 TYR 124 HB3 0.08 -0.06 0.11 -0.04 2.98 3.07 2dh3A1 TYR 124 HD2 0.09 0.02 -0.17 -0.04 7.15 7.05 2dh3A1 TYR 124 HE2 -0.05 -0.06 -0.08 -0.04 6.85 6.62 2dh3A1 ARG 125 H -0.10 0.76 0.35 -0.55 8.46 8.91 2dh3A1 ARG 125 HA -0.02 0.13 0.91 -0.75 4.34 4.60 2dh3A1 ARG 125 HB2 -0.05 -0.04 0.26 -0.04 1.90 2.02 2dh3A1 ARG 125 HB3 -0.03 -0.03 -0.00 -0.04 1.80 1.70 2dh3A1 ARG 125 HG2 -0.00 -0.03 -0.12 -0.04 1.67 1.47 2dh3A1 ARG 125 HG3 0.00 0.09 -0.18 -0.04 1.67 1.54 2dh3A1 ARG 125 HD2 -0.02 -0.04 -0.05 -0.04 3.22 3.07 2dh3A1 ARG 125 HD3 -0.01 -0.00 -0.14 -0.04 3.22 3.02 2dh3A1 ILE 126 H -0.07 0.83 0.21 -0.55 8.25 8.67 2dh3A1 ILE 126 HA -0.00 0.04 0.86 -0.75 4.18 4.33 2dh3A1 ILE 126 HB -0.18 0.04 0.07 -0.04 1.89 1.77 2dh3A1 ILE 126 HG12 -0.65 -0.02 -0.13 -0.04 1.49 0.65 2dh3A1 ILE 126 HG13 -0.16 -0.03 -0.52 -0.04 1.21 0.46 2dh3A1 ILE 126 HG23 -0.43 -0.02 -0.20 -0.04 0.93 0.24 2dh3A1 ILE 126 HD13 -0.21 0.01 -0.13 -0.04 0.88 0.50 2dh3A1 GLY 127 H 0.18 0.16 -0.00 -0.55 8.43 8.22 2dh3A1 GLY 127 HA2 -0.03 0.34 0.45 -0.51 4.01 4.26 2dh3A1 GLY 127 HA3 0.06 0.02 0.28 -0.51 4.01 3.85 2dh3A1 ASP 128 H 0.17 0.14 -0.05 -0.55 8.40 8.11 2dh3A1 ASP 128 HA 0.05 0.23 0.88 -0.75 4.63 5.03 2dh3A1 ASP 128 HB2 0.13 0.09 -0.06 -0.04 2.71 2.82 2dh3A1 ASP 128 HB3 0.16 -0.00 0.13 -0.04 2.70 2.96 2dh3A1 LEU 129 H -0.03 0.31 0.03 -0.55 8.37 8.13 2dh3A1 LEU 129 HA 0.04 0.08 0.30 -0.75 4.35 4.02 2dh3A1 LEU 129 HB2 0.02 0.02 0.06 -0.04 1.64 1.70 2dh3A1 LEU 129 HB3 0.14 0.08 -0.22 -0.04 1.64 1.60 2dh3A1 LEU 129 HG -0.11 0.03 -0.06 -0.04 1.64 1.46 2dh3A1 LEU 129 HD13 -0.14 0.01 -0.10 -0.04 0.93 0.66 2dh3A1 LEU 129 HD23 0.07 0.01 -0.09 -0.04 0.89 0.84 2dh3A1 GLN 130 H 0.14 0.07 -0.25 -0.55 8.47 7.89 2dh3A1 GLN 130 HA 0.08 0.14 0.54 -0.75 4.36 4.37 2dh3A1 GLN 130 HB2 0.12 0.05 0.05 -0.04 2.15 2.33 2dh3A1 GLN 130 HB3 0.09 -0.02 0.01 -0.04 2.02 2.06 2dh3A1 GLN 130 HG2 0.03 -0.00 -0.10 -0.04 2.40 2.28 2dh3A1 GLN 130 HG3 0.04 0.08 0.07 -0.04 2.39 2.54 2dh3A1 GLN 130 HE21 0.01 -0.02 -0.02 -0.04 6.97 6.90 2dh3A1 GLN 130 HE22 0.02 0.01 -0.04 -0.04 7.69 7.63 2dh3A1 ALA 131 H 0.09 0.08 -0.17 -0.55 8.40 7.84 2dh3A1 ALA 131 HA 0.05 0.12 0.61 -0.75 4.34 4.37 2dh3A1 ALA 131 HB3 0.17 0.06 -0.17 -0.04 1.41 1.42 2dh3A1 PHE 132 H 0.05 0.27 -0.32 -0.55 8.34 7.79 2dh3A1 PHE 132 HA -0.39 0.05 0.32 -0.75 4.62 3.85 2dh3A1 PHE 132 HB2 -0.82 -0.03 0.01 -0.04 3.15 2.28 2dh3A1 PHE 132 HB3 -0.18 0.05 0.05 -0.04 3.06 2.94 2dh3A1 PHE 132 HD2 -0.15 -0.02 -0.07 -0.04 7.28 7.00 2dh3A1 PHE 132 HE2 0.28 -0.02 -0.06 -0.04 7.38 7.54 2dh3A1 PHE 132 HZ 0.49 0.05 -0.06 -0.04 7.32 7.75 2dh3A1 GLN 133 H 0.08 0.18 -0.14 -0.55 8.47 8.03 2dh3A1 GLN 133 HA 0.20 0.22 0.91 -0.75 4.36 4.93 2dh3A1 GLN 133 HB2 -0.09 -0.07 -0.00 -0.04 2.15 1.94 2dh3A1 GLN 133 HB3 -0.18 0.05 0.01 -0.04 2.02 1.85 2dh3A1 GLN 133 HG2 0.23 0.04 -0.03 -0.04 2.40 2.60 2dh3A1 GLN 133 HG3 0.08 0.02 0.07 -0.04 2.39 2.52 2dh3A1 GLN 133 HE21 0.10 -0.01 -0.04 -0.04 6.97 6.98 2dh3A1 GLN 133 HE22 0.14 0.12 -0.10 -0.04 7.69 7.80 2dh3A1 GLY 134 H 0.01 0.15 -0.11 -0.55 8.43 7.94 2dh3A1 GLY 134 HA2 -0.14 0.16 0.40 -0.51 4.01 3.92 2dh3A1 GLY 134 HA3 -0.19 0.01 0.34 -0.51 4.01 3.67 2dh3A1 HIS 135 H -0.33 0.13 0.24 -0.55 8.41 7.91 2dh3A1 HIS 135 HA 0.00 0.08 0.31 -0.75 4.63 4.27 2dh3A1 HIS 135 HB2 -0.01 0.00 0.02 -0.04 3.26 3.24 2dh3A1 HIS 135 HB3 -0.01 -0.04 0.10 -0.04 3.20 3.21 2dh3A1 HIS 135 HD2 0.03 -0.01 0.06 -0.04 6.97 7.01 2dh3A1 HIS 135 HE1 -0.05 -0.03 0.03 -0.04 7.75 7.65 2dh3A1 GLY 136 H 0.08 0.13 0.06 -0.55 8.43 8.15 2dh3A1 GLY 136 HA2 0.01 -0.00 0.37 -0.51 4.01 3.88 2dh3A1 GLY 136 HA3 -0.00 0.07 0.40 -0.51 4.01 3.96 2dh3A1 ALA 137 H -0.04 0.53 -0.03 -0.55 8.40 8.32 2dh3A1 ALA 137 HA -0.01 0.05 0.39 -0.75 4.34 4.02 2dh3A1 ALA 137 HB3 -0.06 -0.03 0.06 -0.04 1.41 1.35 2dh3A1 GLY 138 H 0.02 0.11 -0.05 -0.55 8.43 7.96 2dh3A1 GLY 138 HA2 0.07 0.05 0.22 -0.51 4.01 3.84 2dh3A1 GLY 138 HA3 0.05 0.13 0.20 -0.51 4.01 3.88 2dh3A1 ASN 139 H 0.06 -0.07 -0.28 -0.55 8.53 7.69 2dh3A1 ASN 139 HA 0.13 0.37 0.87 -0.75 4.76 5.38 2dh3A1 ASN 139 HB2 0.05 0.30 -0.14 -0.04 2.88 3.05 2dh3A1 ASN 139 HB3 0.05 -0.43 0.02 -0.04 2.79 2.39 2dh3A1 ASN 139 HD21 0.07 -0.01 0.10 -0.04 7.03 7.15 2dh3A1 ASN 139 HD22 0.05 -0.23 0.12 -0.04 7.74 7.64 2dh3A1 LEU 140 H 0.12 0.58 0.30 -0.55 8.37 8.83 2dh3A1 LEU 140 HA 0.07 0.14 0.70 -0.75 4.35 4.50 2dh3A1 LEU 140 HB2 0.12 -0.12 0.09 -0.04 1.64 1.69 2dh3A1 LEU 140 HB3 0.10 0.07 -0.13 -0.04 1.64 1.64 2dh3A1 LEU 140 HG 0.16 0.20 0.06 -0.04 1.64 2.02 2dh3A1 LEU 140 HD13 0.22 -0.04 -0.12 -0.04 0.93 0.95 2dh3A1 LEU 140 HD23 0.10 0.00 -0.03 -0.04 0.89 0.92 2dh3A1 ALA 141 H 0.06 0.11 0.02 -0.55 8.40 8.05 2dh3A1 ALA 141 HA 0.02 0.18 0.53 -0.75 4.34 4.32 2dh3A1 ALA 141 HB3 0.03 0.02 0.05 -0.04 1.41 1.47 2dh3A1 GLY 142 H 0.04 -0.02 -0.43 -0.55 8.43 7.47 2dh3A1 GLY 142 HA2 -0.01 0.15 0.45 -0.51 4.01 4.10 2dh3A1 GLY 142 HA3 0.01 -0.07 0.17 -0.51 4.01 3.62 2dh3A1 LEU 143 H 0.06 0.41 -0.25 -0.55 8.37 8.05 2dh3A1 LEU 143 HA 0.15 0.03 0.40 -0.75 4.35 4.18 2dh3A1 LEU 143 HB2 0.10 0.04 0.11 -0.04 1.64 1.85 2dh3A1 LEU 143 HB3 0.05 0.12 0.09 -0.04 1.64 1.85 2dh3A1 LEU 143 HG 0.04 0.05 -0.22 -0.04 1.64 1.46 2dh3A1 LEU 143 HD13 0.14 -0.02 -0.03 -0.04 0.93 0.99 2dh3A1 LEU 143 HD23 -0.02 -0.00 -0.07 -0.04 0.89 0.76 2dh3A1 LYS 144 H 0.02 0.20 -0.63 -0.55 8.42 7.46 2dh3A1 LYS 144 HA -0.00 0.08 0.40 -0.75 4.32 4.04 2dh3A1 LYS 144 HB2 -0.00 0.04 0.11 -0.04 1.87 1.97 2dh3A1 LYS 144 HB3 -0.00 0.15 0.01 -0.04 1.79 1.91 2dh3A1 LYS 144 HG2 -0.01 -0.02 0.00 -0.04 1.46 1.38 2dh3A1 LYS 144 HG3 -0.02 0.03 0.02 -0.04 1.46 1.44 2dh3A1 LYS 144 HD2 -0.01 -0.01 -0.05 -0.04 1.69 1.58 2dh3A1 LYS 144 HD3 -0.01 0.01 -0.04 -0.04 1.68 1.60 2dh3A1 LYS 144 HE2 -0.01 0.00 -0.17 -0.04 2.99 2.78 2dh3A1 LYS 144 HE3 0.00 -0.00 0.04 -0.04 2.99 2.99 2dh3A1 GLY 145 H -0.01 0.32 -0.39 -0.55 8.43 7.81 2dh3A1 GLY 145 HA2 -0.02 0.06 0.44 -0.51 4.01 3.98 2dh3A1 GLY 145 HA3 -0.05 0.03 0.29 -0.51 4.01 3.78 2dh3A1 ARG 146 H 0.04 0.38 -0.46 -0.55 8.46 7.87 2dh3A1 ARG 146 HA 0.00 0.12 0.71 -0.75 4.34 4.41 2dh3A1 ARG 146 HB2 0.25 0.13 0.05 -0.04 1.90 2.29 2dh3A1 ARG 146 HB3 0.28 -0.06 0.14 -0.04 1.80 2.12 2dh3A1 ARG 146 HG2 -0.12 0.04 -0.10 -0.04 1.67 1.45 2dh3A1 ARG 146 HG3 -0.10 -0.02 -0.04 -0.04 1.67 1.46 2dh3A1 ARG 146 HD2 -0.69 -0.02 -0.00 -0.04 3.22 2.46 2dh3A1 ARG 146 HD3 -0.40 0.04 -0.11 -0.04 3.22 2.72 2dh3A1 LEU 147 H 0.04 0.33 -0.42 -0.55 8.37 7.78 2dh3A1 LEU 147 HA 0.06 0.08 0.36 -0.75 4.35 4.10 2dh3A1 LEU 147 HB2 0.01 0.03 0.06 -0.04 1.64 1.70 2dh3A1 LEU 147 HB3 0.00 0.06 -0.04 -0.04 1.64 1.62 2dh3A1 LEU 147 HG 0.02 0.05 0.05 -0.04 1.64 1.72 2dh3A1 LEU 147 HD13 -0.02 0.03 -0.03 -0.04 0.93 0.86 2dh3A1 LEU 147 HD23 -0.01 -0.01 -0.07 -0.04 0.89 0.76 2dh3A1 ASP 148 H 0.04 0.17 -0.11 -0.55 8.40 7.95 2dh3A1 ASP 148 HA 0.02 0.15 0.42 -0.75 4.63 4.47 2dh3A1 ASP 148 HB2 0.04 -0.00 0.04 -0.04 2.71 2.74 2dh3A1 ASP 148 HB3 0.03 0.03 0.01 -0.04 2.70 2.73 2dh3A1 TYR 149 H 0.18 0.10 -0.46 -0.55 8.29 7.55 2dh3A1 TYR 149 HA 0.05 0.08 0.48 -0.75 4.56 4.42 2dh3A1 TYR 149 HB2 0.07 -0.04 0.04 -0.04 3.06 3.10 2dh3A1 TYR 149 HB3 0.12 0.20 0.08 -0.04 2.98 3.34 2dh3A1 TYR 149 HD2 0.25 0.04 -0.07 -0.04 7.15 7.33 2dh3A1 TYR 149 HE2 0.18 -0.02 -0.08 -0.04 6.85 6.89 2dh3A1 LEU 150 H 0.09 0.36 -0.13 -0.55 8.37 8.15 2dh3A1 LEU 150 HA -0.36 -0.01 0.41 -0.75 4.35 3.64 2dh3A1 LEU 150 HB2 -0.02 0.16 0.09 -0.04 1.64 1.83 2dh3A1 LEU 150 HB3 -0.12 0.00 -0.01 -0.04 1.64 1.47 2dh3A1 LEU 150 HG 0.20 0.20 0.06 -0.04 1.64 2.06 2dh3A1 LEU 150 HD13 0.05 -0.02 -0.09 -0.04 0.93 0.83 2dh3A1 LEU 150 HD23 -0.20 -0.03 -0.08 -0.04 0.89 0.54 2dh3A1 SER 151 H -0.02 0.47 -0.21 -0.55 8.46 8.15 2dh3A1 SER 151 HA -0.02 0.14 0.53 -0.75 4.49 4.39 2dh3A1 SER 151 HB2 -0.01 0.05 0.11 -0.04 3.95 4.06 2dh3A1 SER 151 HB3 -0.00 0.09 0.11 -0.04 3.93 4.09 2dh3A1 SER 152 H -0.07 0.30 -0.34 -0.55 8.46 7.80 2dh3A1 SER 152 HA -0.02 0.07 0.49 -0.75 4.49 4.28 2dh3A1 SER 152 HB2 0.01 -0.06 0.12 -0.04 3.95 3.97 2dh3A1 SER 152 HB3 0.01 0.02 0.15 -0.04 3.93 4.07 2dh3A1 LEU 153 H -0.17 0.26 -0.54 -0.55 8.37 7.37 2dh3A1 LEU 153 HA 0.05 0.12 0.78 -0.75 4.35 4.55 2dh3A1 LEU 153 HB2 -0.14 0.09 0.02 -0.04 1.64 1.57 2dh3A1 LEU 153 HB3 0.19 -0.07 0.05 -0.04 1.64 1.77 2dh3A1 LEU 153 HG -0.69 0.15 -0.02 -0.04 1.64 1.04 2dh3A1 LEU 153 HD13 -0.46 -0.05 -0.06 -0.04 0.93 0.31 2dh3A1 LEU 153 HD23 -0.26 -0.01 -0.18 -0.04 0.89 0.40 2dh3A1 LYS 154 H -0.02 0.33 -0.41 -0.55 8.42 7.77 2dh3A1 LYS 154 HA 0.02 0.10 0.29 -0.75 4.32 3.98 2dh3A1 LYS 154 HB2 0.02 0.02 -0.37 -0.04 1.87 1.50 2dh3A1 LYS 154 HB3 0.05 0.02 0.17 -0.04 1.79 1.99 2dh3A1 LYS 154 HG2 0.02 -0.03 0.03 -0.04 1.46 1.44 2dh3A1 LYS 154 HG3 0.01 0.19 0.05 -0.04 1.46 1.66 2dh3A1 LYS 154 HD2 -0.02 0.03 -0.21 -0.04 1.69 1.45 2dh3A1 LYS 154 HD3 -0.01 -0.04 0.00 -0.04 1.68 1.60 2dh3A1 LYS 154 HE2 0.00 -0.05 0.00 -0.04 2.99 2.91 2dh3A1 LYS 154 HE3 -0.00 0.07 -0.03 -0.04 2.99 2.98 2dh3A1 VAL 155 H 0.03 0.20 -0.24 -0.55 8.24 7.68 2dh3A1 VAL 155 HA 0.19 0.13 0.72 -0.75 4.13 4.41 2dh3A1 VAL 155 HB 0.18 0.00 -0.08 -0.04 2.12 2.18 2dh3A1 VAL 155 HG13 0.22 -0.02 -0.20 -0.04 0.97 0.93 2dh3A1 VAL 155 HG23 -0.08 0.02 -0.07 -0.04 0.95 0.78 2dh3A1 LYS 156 H 0.21 0.32 0.14 -0.55 8.42 8.54 2dh3A1 LYS 156 HA 0.10 0.26 0.66 -0.75 4.32 4.58 2dh3A1 LYS 156 HB2 0.37 0.01 -0.10 -0.04 1.87 2.10 2dh3A1 LYS 156 HB3 0.29 -0.06 0.03 -0.04 1.79 2.02 2dh3A1 LYS 156 HG2 0.17 0.04 -0.07 -0.04 1.46 1.55 2dh3A1 LYS 156 HG3 0.19 0.01 -0.37 -0.04 1.46 1.25 2dh3A1 LYS 156 HD2 0.11 -0.07 -0.02 -0.04 1.69 1.66 2dh3A1 LYS 156 HD3 0.09 0.03 -0.17 -0.04 1.68 1.59 2dh3A1 LYS 156 HE2 0.09 0.13 -0.00 -0.04 2.99 3.16 2dh3A1 LYS 156 HE3 0.08 0.04 -0.02 -0.04 2.99 3.04 2dh3A1 GLY 157 H 0.23 0.25 -0.10 -0.55 8.43 8.26 2dh3A1 GLY 157 HA2 -0.00 0.30 0.58 -0.51 4.01 4.38 2dh3A1 GLY 157 HA3 0.38 -0.04 0.17 -0.51 4.01 4.02 2dh3A1 LEU 158 H 0.02 0.51 0.19 -0.55 8.37 8.54 2dh3A1 LEU 158 HA 0.17 0.17 1.02 -0.75 4.35 4.95 2dh3A1 LEU 158 HB2 0.09 -0.02 -0.00 -0.04 1.64 1.67 2dh3A1 LEU 158 HB3 0.08 0.02 -0.03 -0.04 1.64 1.67 2dh3A1 LEU 158 HG -0.03 0.07 0.09 -0.04 1.64 1.72 2dh3A1 LEU 158 HD13 -0.05 -0.03 -0.27 -0.04 0.93 0.54 2dh3A1 LEU 158 HD23 -0.02 0.00 -0.11 -0.04 0.89 0.73 2dh3A1 VAL 159 H 0.07 0.92 0.34 -0.55 8.24 9.01 2dh3A1 VAL 159 HA -0.01 0.18 0.78 -0.75 4.13 4.32 2dh3A1 VAL 159 HB 0.00 -0.10 0.07 -0.04 2.12 2.06 2dh3A1 VAL 159 HG13 -0.02 -0.01 -0.30 -0.04 0.97 0.60 2dh3A1 VAL 159 HG23 0.06 0.01 -0.27 -0.04 0.95 0.71 2dh3A1 LEU 160 H -0.07 0.88 0.34 -0.55 8.37 8.97 2dh3A1 LEU 160 HA -0.11 0.17 0.57 -0.75 4.35 4.22 2dh3A1 LEU 160 HB2 -0.08 -0.00 -0.10 -0.04 1.64 1.42 2dh3A1 LEU 160 HB3 -0.09 0.08 0.05 -0.04 1.64 1.64 2dh3A1 LEU 160 HG -0.14 -0.03 -0.31 -0.04 1.64 1.12 2dh3A1 LEU 160 HD13 -0.10 -0.00 -0.05 -0.04 0.93 0.74 2dh3A1 LEU 160 HD23 0.04 -0.01 -0.11 -0.04 0.89 0.77 2dh3A1 GLY 161 H -0.18 0.34 0.24 -0.55 8.43 8.28 2dh3A1 GLY 161 HA2 -0.34 0.08 0.11 -0.51 4.01 3.35 2dh3A1 GLY 161 HA3 -0.27 -0.01 0.61 -0.51 4.01 3.83 2dh3A1 PRO 162 HA -0.33 0.19 0.53 -0.51 4.44 4.31 2dh3A1 PRO 162 HB2 -2.01 0.01 -0.01 -0.04 2.28 0.23 2dh3A1 PRO 162 HB3 -0.47 0.08 0.06 -0.04 2.02 1.66 2dh3A1 PRO 162 HG2 -0.57 0.04 0.06 -0.04 2.03 1.53 2dh3A1 PRO 162 HG3 -0.30 -0.14 -0.05 -0.04 2.03 1.49 2dh3A1 PRO 162 HD2 -0.28 0.08 0.20 -0.04 3.68 3.65 2dh3A1 PRO 162 HD3 -0.19 0.11 0.46 -0.04 3.65 4.00 2dh3A1 ILE 163 H -0.26 0.20 0.19 -0.55 8.25 7.84 2dh3A1 ILE 163 HA -0.45 0.23 0.94 -0.75 4.18 4.15 2dh3A1 ILE 163 HB -0.11 -0.06 0.17 -0.04 1.89 1.85 2dh3A1 ILE 163 HG12 -0.33 0.01 0.01 -0.04 1.49 1.14 2dh3A1 ILE 163 HG13 -0.23 0.05 -0.15 -0.04 1.21 0.84 2dh3A1 ILE 163 HG23 -0.59 -0.01 -0.13 -0.04 0.93 0.16 2dh3A1 ILE 163 HD13 -0.32 0.00 -0.08 -0.04 0.88 0.44 2dh3A1 HIS 164 H -0.24 0.08 0.04 -0.55 8.41 7.74 2dh3A1 HIS 164 HA 0.11 0.17 0.68 -0.75 4.63 4.83 2dh3A1 HIS 164 HB2 0.09 0.22 0.16 -0.04 3.26 3.69 2dh3A1 HIS 164 HB3 0.01 0.01 0.04 -0.04 3.20 3.21 2dh3A1 HIS 164 HD2 0.12 0.20 -0.35 -0.04 6.97 6.90 2dh3A1 HIS 164 HE1 -0.25 0.11 -0.26 -0.04 7.75 7.30 2dh3A1 LYS 165 H 0.21 0.60 0.25 -0.55 8.42 8.92 2dh3A1 LYS 165 HA 0.09 -0.02 0.45 -0.75 4.32 4.09 2dh3A1 LYS 165 HB2 0.11 -0.02 0.18 -0.04 1.87 2.10 2dh3A1 LYS 165 HB3 0.07 -0.02 -0.04 -0.04 1.79 1.75 2dh3A1 LYS 165 HG2 0.06 -0.06 -0.07 -0.04 1.46 1.34 2dh3A1 LYS 165 HG3 0.09 0.16 -0.25 -0.04 1.46 1.42 2dh3A1 LYS 165 HD2 0.04 -0.04 -0.02 -0.04 1.69 1.63 2dh3A1 LYS 165 HD3 0.03 -0.03 -0.03 -0.04 1.68 1.61 2dh3A1 LYS 165 HE2 0.03 -0.01 0.02 -0.04 2.99 2.99 2dh3A1 LYS 165 HE3 0.04 0.04 -0.03 -0.04 2.99 3.00 2dh3A1 ASN 166 H 0.03 0.14 0.08 -0.55 8.53 8.24 2dh3A1 ASN 166 HA 0.12 0.14 0.79 -0.75 4.76 5.05 2dh3A1 ASN 166 HB2 0.12 0.17 -0.27 -0.04 2.88 2.85 2dh3A1 ASN 166 HB3 -0.19 -0.02 0.05 -0.04 2.79 2.59 2dh3A1 ASN 166 HD21 0.13 -0.22 -0.19 -0.04 7.03 6.70 2dh3A1 ASN 166 HD22 0.14 0.16 -0.06 -0.04 7.74 7.94 2dh3A1 GLN 167 H 0.05 0.65 0.22 -0.55 8.47 8.84 2dh3A1 GLN 167 HA -0.02 0.04 0.76 -0.75 4.36 4.39 2dh3A1 GLN 167 HB2 0.01 0.01 0.15 -0.04 2.15 2.28 2dh3A1 GLN 167 HB3 0.03 -0.00 0.13 -0.04 2.02 2.13 2dh3A1 GLN 167 HG2 0.00 0.07 -0.15 -0.04 2.40 2.28 2dh3A1 GLN 167 HG3 -0.01 -0.02 0.03 -0.04 2.39 2.35 2dh3A1 GLN 167 HE21 -0.00 -0.02 -0.03 -0.04 6.97 6.88 2dh3A1 GLN 167 HE22 -0.00 0.00 -0.02 -0.04 7.69 7.63 2dh3A1 LYS 168 H -0.04 0.16 0.09 -0.55 8.42 8.08 2dh3A1 LYS 168 HA -0.05 -0.12 0.15 -0.75 4.32 3.54 2dh3A1 LYS 168 HB2 -0.06 0.05 0.09 -0.04 1.87 1.90 2dh3A1 LYS 168 HB3 -0.03 0.01 0.09 -0.04 1.79 1.82 2dh3A1 LYS 168 HG2 -0.03 -0.04 -0.25 -0.04 1.46 1.10 2dh3A1 LYS 168 HG3 -0.08 0.02 -0.45 -0.04 1.46 0.91 2dh3A1 LYS 168 HD2 -0.05 0.05 -0.01 -0.04 1.69 1.64 2dh3A1 LYS 168 HD3 -0.03 -0.03 -0.02 -0.04 1.68 1.55 2dh3A1 LYS 168 HE2 -0.03 -0.11 -0.01 -0.04 2.99 2.80 2dh3A1 LYS 168 HE3 -0.05 0.22 0.07 -0.04 2.99 3.20 2dh3A1 ASP 169 H 0.04 0.02 0.10 -0.55 8.40 8.01 2dh3A1 ASP 169 HA 0.21 -0.04 0.34 -0.75 4.63 4.39 2dh3A1 ASP 169 HB2 0.05 0.22 0.05 -0.04 2.71 2.99 2dh3A1 ASP 169 HB3 0.09 -0.01 0.22 -0.04 2.70 2.95 2dh3A1 ASP 170 H 0.31 0.31 -0.08 -0.55 8.40 8.40 2dh3A1 ASP 170 HA 0.01 0.03 0.55 -0.75 4.63 4.47 2dh3A1 ASP 170 HB2 0.04 0.17 -0.32 -0.04 2.71 2.56 2dh3A1 ASP 170 HB3 0.03 0.01 -0.03 -0.04 2.70 2.66 2dh3A1 VAL 171 H -0.25 0.15 0.07 -0.55 8.24 7.66 2dh3A1 VAL 171 HA -0.79 0.12 0.20 -0.75 4.13 2.90 2dh3A1 VAL 171 HB -0.26 -0.05 0.11 -0.04 2.12 1.88 2dh3A1 VAL 171 HG13 -0.26 0.02 -0.13 -0.04 0.97 0.55 2dh3A1 VAL 171 HG23 -0.83 0.01 0.00 -0.04 0.95 0.10 2dh3A1 ALA 172 H -0.11 0.03 -0.01 -0.55 8.40 7.76 2dh3A1 ALA 172 HA -0.06 0.10 0.40 -0.75 4.34 4.03 2dh3A1 ALA 172 HB3 -0.04 0.00 0.06 -0.04 1.41 1.39 2dh3A1 GLN 173 H -0.03 0.02 -0.47 -0.55 8.47 7.44 2dh3A1 GLN 173 HA 0.00 0.15 0.61 -0.75 4.36 4.37 2dh3A1 GLN 173 HB2 0.01 0.01 0.04 -0.04 2.15 2.17 2dh3A1 GLN 173 HB3 0.01 -0.05 0.19 -0.04 2.02 2.12 2dh3A1 GLN 173 HG2 -0.01 -0.06 -0.13 -0.04 2.40 2.15 2dh3A1 GLN 173 HG3 -0.00 0.01 -0.02 -0.04 2.39 2.33 2dh3A1 GLN 173 HE21 -0.00 0.01 -0.04 -0.04 6.97 6.89 2dh3A1 GLN 173 HE22 -0.01 -0.02 -0.11 -0.04 7.69 7.51 2dh3A1 THR 174 H 0.00 0.47 -0.55 -0.55 8.28 7.66 2dh3A1 THR 174 HA 0.12 0.09 0.64 -0.75 4.39 4.49 2dh3A1 THR 174 HB 0.08 0.07 0.11 -0.04 4.32 4.54 2dh3A1 THR 174 HG23 0.32 -0.00 -0.04 -0.04 1.22 1.45 2dh3A1 ASP 175 H 0.15 0.47 0.10 -0.55 8.40 8.58 2dh3A1 ASP 175 HA 0.01 0.13 0.92 -0.75 4.63 4.94 2dh3A1 ASP 175 HB2 0.01 0.07 -0.13 -0.04 2.71 2.62 2dh3A1 ASP 175 HB3 0.03 -0.02 0.17 -0.04 2.70 2.84 2dh3A1 LEU 176 H -0.05 0.21 0.11 -0.55 8.37 8.09 2dh3A1 LEU 176 HA -0.20 0.11 0.42 -0.75 4.35 3.93 2dh3A1 LEU 176 HB2 -0.10 0.01 0.06 -0.04 1.64 1.58 2dh3A1 LEU 176 HB3 -0.10 0.03 0.05 -0.04 1.64 1.58 2dh3A1 LEU 176 HG -0.28 -0.04 -0.04 -0.04 1.64 1.24 2dh3A1 LEU 176 HD13 -0.13 -0.00 -0.10 -0.04 0.93 0.65 2dh3A1 LEU 176 HD23 -0.89 0.01 -0.04 -0.04 0.89 -0.07 2dh3A1 LEU 177 H -0.09 0.01 -0.27 -0.55 8.37 7.47 2dh3A1 LEU 177 HA -0.34 0.18 0.57 -0.75 4.35 4.01 2dh3A1 LEU 177 HB2 -0.34 -0.02 -0.02 -0.04 1.64 1.22 2dh3A1 LEU 177 HB3 -1.01 0.04 0.08 -0.04 1.64 0.70 2dh3A1 LEU 177 HG -0.24 -0.09 -0.01 -0.04 1.64 1.25 2dh3A1 LEU 177 HD13 -0.37 0.01 -0.03 -0.04 0.93 0.50 2dh3A1 LEU 177 HD23 -0.56 0.02 -0.17 -0.04 0.89 0.13 2dh3A1 GLN 178 H 0.05 0.29 -0.31 -0.55 8.47 7.95 2dh3A1 GLN 178 HA 0.04 0.14 0.92 -0.75 4.36 4.70 2dh3A1 GLN 178 HB2 0.05 -0.01 0.12 -0.04 2.15 2.27 2dh3A1 GLN 178 HB3 0.04 0.08 -0.00 -0.04 2.02 2.11 2dh3A1 GLN 178 HG2 -0.05 0.06 -0.10 -0.04 2.40 2.28 2dh3A1 GLN 178 HG3 -0.06 -0.11 -0.15 -0.04 2.39 2.02 2dh3A1 GLN 178 HE21 -0.02 0.01 -0.02 -0.04 6.97 6.89 2dh3A1 GLN 178 HE22 -0.05 -0.00 -0.04 -0.04 7.69 7.55 2dh3A1 ILE 179 H 0.16 0.09 0.08 -0.55 8.25 8.04 2dh3A1 ILE 179 HA 0.18 0.18 0.53 -0.75 4.18 4.32 2dh3A1 ILE 179 HB 0.15 -0.11 -0.08 -0.04 1.89 1.82 2dh3A1 ILE 179 HG12 0.03 0.05 -0.12 -0.04 1.49 1.40 2dh3A1 ILE 179 HG13 0.34 -0.01 -0.11 -0.04 1.21 1.39 2dh3A1 ILE 179 HG23 0.19 0.06 -0.24 -0.04 0.93 0.90 2dh3A1 ILE 179 HD13 0.15 -0.02 -0.17 -0.04 0.88 0.80 2dh3A1 ASP 180 H 0.25 0.67 0.26 -0.55 8.40 9.04 2dh3A1 ASP 180 HA 0.05 0.12 0.65 -0.75 4.63 4.69 2dh3A1 ASP 180 HB2 0.12 0.11 -0.14 -0.04 2.71 2.76 2dh3A1 ASP 180 HB3 -0.01 -0.03 0.10 -0.04 2.70 2.72 2dh3A1 PRO 181 HA 0.02 0.30 0.47 -0.51 4.44 4.72 2dh3A1 PRO 181 HB2 -0.04 0.00 0.01 -0.04 2.28 2.22 2dh3A1 PRO 181 HB3 -0.00 0.03 0.10 -0.04 2.02 2.11 2dh3A1 PRO 181 HG2 -0.01 0.02 0.10 -0.04 2.03 2.10 2dh3A1 PRO 181 HG3 0.01 0.05 0.13 -0.04 2.03 2.18 2dh3A1 PRO 181 HD2 -0.02 0.04 0.24 -0.04 3.68 3.89 2dh3A1 PRO 181 HD3 0.03 0.33 0.33 -0.04 3.65 4.30 2dh3A1 ASN 182 H -0.20 0.05 -0.37 -0.55 8.53 7.47 2dh3A1 ASN 182 HA -0.13 0.08 0.46 -0.75 4.76 4.41 2dh3A1 ASN 182 HB2 -0.67 -0.03 0.04 -0.04 2.88 2.17 2dh3A1 ASN 182 HB3 -0.44 0.05 -0.02 -0.04 2.79 2.33 2dh3A1 ASN 182 HD21 -0.12 0.01 0.01 -0.04 7.03 6.89 2dh3A1 ASN 182 HD22 -0.22 -0.03 0.01 -0.04 7.74 7.46 2dh3A1 PHE 183 H -0.25 0.44 -0.12 -0.55 8.34 7.86 2dh3A1 PHE 183 HA 0.03 0.16 0.60 -0.75 4.62 4.66 2dh3A1 PHE 183 HB2 0.03 0.12 0.05 -0.04 3.15 3.31 2dh3A1 PHE 183 HB3 0.04 -0.09 0.08 -0.04 3.06 3.05 2dh3A1 PHE 183 HD2 0.02 0.10 0.06 -0.04 7.28 7.42 2dh3A1 PHE 183 HE2 0.05 -0.03 -0.01 -0.04 7.38 7.35 2dh3A1 PHE 183 HZ 0.09 0.03 0.03 -0.04 7.32 7.44 2dh3A1 GLY 184 H 0.08 0.34 -0.30 -0.55 8.43 8.00 2dh3A1 GLY 184 HA2 0.07 0.09 0.26 -0.51 4.01 3.91 2dh3A1 GLY 184 HA3 0.12 -0.04 0.93 -0.51 4.01 4.50 2dh3A1 SER 185 H 0.11 0.04 0.16 -0.55 8.46 8.23 2dh3A1 SER 185 HA 0.10 0.32 0.83 -0.75 4.49 4.99 2dh3A1 SER 185 HB2 0.07 0.05 0.19 -0.04 3.95 4.22 2dh3A1 SER 185 HB3 0.07 0.11 -0.05 -0.04 3.93 4.01 2dh3A1 LYS 186 H 0.11 0.22 0.19 -0.55 8.42 8.39 2dh3A1 LYS 186 HA 0.23 0.17 0.52 -0.75 4.32 4.50 2dh3A1 LYS 186 HB2 0.12 0.01 0.18 -0.04 1.87 2.14 2dh3A1 LYS 186 HB3 0.11 0.04 0.06 -0.04 1.79 1.96 2dh3A1 LYS 186 HG2 0.22 0.02 0.09 -0.04 1.46 1.75 2dh3A1 LYS 186 HG3 0.12 0.07 0.06 -0.04 1.46 1.66 2dh3A1 LYS 186 HD2 0.11 -0.00 -0.05 -0.04 1.69 1.70 2dh3A1 LYS 186 HD3 0.23 -0.08 0.07 -0.04 1.68 1.86 2dh3A1 LYS 186 HE2 0.01 0.03 0.02 -0.04 2.99 3.01 2dh3A1 LYS 186 HE3 0.02 0.01 0.02 -0.04 2.99 3.00 2dh3A1 GLU 187 H 0.10 0.07 0.00 -0.55 8.60 8.23 2dh3A1 GLU 187 HA 0.10 0.18 0.50 -0.75 4.29 4.32 2dh3A1 GLU 187 HB2 0.06 -0.05 0.07 -0.04 2.09 2.14 2dh3A1 GLU 187 HB3 0.05 0.09 0.02 -0.04 1.99 2.11 2dh3A1 GLU 187 HG2 0.04 0.07 0.03 -0.04 2.34 2.44 2dh3A1 GLU 187 HG3 0.06 0.08 0.03 -0.04 2.34 2.46 2dh3A1 ASP 188 H 0.11 -0.02 -0.30 -0.55 8.40 7.65 2dh3A1 ASP 188 HA 0.06 0.13 0.47 -0.75 4.63 4.54 2dh3A1 ASP 188 HB2 0.13 0.11 0.10 -0.04 2.71 3.01 2dh3A1 ASP 188 HB3 0.09 -0.02 -0.05 -0.04 2.70 2.68 2dh3A1 PHE 189 H 0.28 0.25 -0.30 -0.55 8.34 8.02 2dh3A1 PHE 189 HA 0.03 0.06 0.46 -0.75 4.62 4.42 2dh3A1 PHE 189 HB2 0.11 0.01 0.10 -0.04 3.15 3.33 2dh3A1 PHE 189 HB3 0.17 0.15 0.16 -0.04 3.06 3.50 2dh3A1 PHE 189 HD2 0.09 0.00 -0.10 -0.04 7.28 7.23 2dh3A1 PHE 189 HE2 -0.02 0.04 -0.11 -0.04 7.38 7.25 2dh3A1 PHE 189 HZ -0.23 0.02 -0.08 -0.04 7.32 6.98 2dh3A1 ASP 190 H 0.24 0.49 -0.02 -0.55 8.40 8.57 2dh3A1 ASP 190 HA 0.05 0.14 0.47 -0.75 4.63 4.54 2dh3A1 ASP 190 HB2 0.09 -0.05 0.21 -0.04 2.71 2.92 2dh3A1 ASP 190 HB3 0.05 0.01 0.04 -0.04 2.70 2.77 2dh3A1 SER 191 H 0.04 0.55 -0.23 -0.55 8.46 8.28 2dh3A1 SER 191 HA -0.01 0.02 0.46 -0.75 4.49 4.20 2dh3A1 SER 191 HB2 0.02 0.03 0.13 -0.04 3.95 4.09 2dh3A1 SER 191 HB3 0.02 0.04 0.14 -0.04 3.93 4.09 2dh3A1 LEU 192 H -0.07 0.37 -0.34 -0.55 8.37 7.79 2dh3A1 LEU 192 HA -0.07 0.00 0.48 -0.75 4.35 4.00 2dh3A1 LEU 192 HB2 -0.07 0.02 0.09 -0.04 1.64 1.64 2dh3A1 LEU 192 HB3 -0.27 0.12 0.16 -0.04 1.64 1.61 2dh3A1 LEU 192 HG -0.17 0.03 -0.22 -0.04 1.64 1.24 2dh3A1 LEU 192 HD13 -0.04 0.02 -0.08 -0.04 0.93 0.79 2dh3A1 LEU 192 HD23 -0.13 -0.02 -0.06 -0.04 0.89 0.64 2dh3A1 LEU 193 H -0.26 0.53 -0.06 -0.55 8.37 8.03 2dh3A1 LEU 193 HA -0.22 0.03 0.43 -0.75 4.35 3.84 2dh3A1 LEU 193 HB2 -0.14 0.08 0.19 -0.04 1.64 1.72 2dh3A1 LEU 193 HB3 -0.14 0.05 0.03 -0.04 1.64 1.55 2dh3A1 LEU 193 HG -0.77 0.05 0.01 -0.04 1.64 0.89 2dh3A1 LEU 193 HD13 0.01 -0.02 -0.09 -0.04 0.93 0.78 2dh3A1 LEU 193 HD23 -0.32 -0.00 -0.04 -0.04 0.89 0.48 2dh3A1 GLN 194 H -0.08 0.45 -0.15 -0.55 8.47 8.15 2dh3A1 GLN 194 HA -0.05 0.05 0.36 -0.75 4.36 3.97 2dh3A1 GLN 194 HB2 -0.03 0.08 0.14 -0.04 2.15 2.30 2dh3A1 GLN 194 HB3 -0.03 0.05 0.12 -0.04 2.02 2.12 2dh3A1 GLN 194 HG2 -0.02 -0.01 -0.10 -0.04 2.40 2.23 2dh3A1 GLN 194 HG3 -0.02 -0.00 0.04 -0.04 2.39 2.37 2dh3A1 GLN 194 HE21 -0.01 -0.04 -0.01 -0.04 6.97 6.86 2dh3A1 GLN 194 HE22 -0.01 0.01 -0.02 -0.04 7.69 7.62 2dh3A1 SER 195 H -0.05 0.40 -0.15 -0.55 8.46 8.11 2dh3A1 SER 195 HA -0.03 0.02 0.47 -0.75 4.49 4.19 2dh3A1 SER 195 HB2 -0.04 0.09 0.13 -0.04 3.95 4.08 2dh3A1 SER 195 HB3 -0.03 -0.04 0.04 -0.04 3.93 3.87 2dh3A1 ALA 196 H -0.08 0.48 -0.18 -0.55 8.40 8.07 2dh3A1 ALA 196 HA -0.06 -0.02 0.38 -0.75 4.34 3.89 2dh3A1 ALA 196 HB3 -0.11 0.06 0.10 -0.04 1.41 1.41 2dh3A1 LYS 197 H -0.08 0.56 -0.09 -0.55 8.42 8.25 2dh3A1 LYS 197 HA -0.09 0.04 0.53 -0.75 4.32 4.04 2dh3A1 LYS 197 HB2 -0.06 0.07 0.12 -0.04 1.87 1.97 2dh3A1 LYS 197 HB3 -0.06 -0.06 0.05 -0.04 1.79 1.68 2dh3A1 LYS 197 HG2 -0.12 -0.01 0.04 -0.04 1.46 1.32 2dh3A1 LYS 197 HG3 -0.09 0.16 0.06 -0.04 1.46 1.55 2dh3A1 LYS 197 HD2 -0.04 -0.05 0.01 -0.04 1.69 1.56 2dh3A1 LYS 197 HD3 -0.06 -0.03 0.02 -0.04 1.68 1.56 2dh3A1 LYS 197 HE2 -0.03 -0.02 0.02 -0.04 2.99 2.92 2dh3A1 LYS 197 HE3 -0.09 0.04 0.06 -0.04 2.99 2.97 2dh3A1 LYS 198 H -0.04 0.35 -0.24 -0.55 8.42 7.94 2dh3A1 LYS 198 HA -0.03 0.03 0.56 -0.75 4.32 4.13 2dh3A1 LYS 198 HB2 -0.03 0.03 0.16 -0.04 1.87 1.99 2dh3A1 LYS 198 HB3 -0.03 0.13 0.11 -0.04 1.79 1.97 2dh3A1 LYS 198 HG2 -0.02 -0.00 0.01 -0.04 1.46 1.41 2dh3A1 LYS 198 HG3 -0.02 -0.03 0.11 -0.04 1.46 1.49 2dh3A1 LYS 198 HD2 -0.01 -0.01 0.02 -0.04 1.69 1.65 2dh3A1 LYS 198 HD3 -0.01 -0.02 0.01 -0.04 1.68 1.61 2dh3A1 LYS 198 HE2 -0.01 0.00 0.02 -0.04 2.99 2.97 2dh3A1 LYS 198 HE3 -0.01 -0.05 0.01 -0.04 2.99 2.90 2dh3A1 LYS 199 H -0.04 0.29 -0.47 -0.55 8.42 7.64 2dh3A1 LYS 199 HA -0.02 0.13 0.77 -0.75 4.32 4.45 2dh3A1 LYS 199 HB2 -0.03 0.06 0.04 -0.04 1.87 1.89 2dh3A1 LYS 199 HB3 -0.02 -0.04 0.09 -0.04 1.79 1.79 2dh3A1 LYS 199 HG2 -0.01 -0.03 -0.09 -0.04 1.46 1.29 2dh3A1 LYS 199 HG3 -0.02 0.11 -0.11 -0.04 1.46 1.39 2dh3A1 LYS 199 HD2 -0.02 0.01 -0.12 -0.04 1.69 1.52 2dh3A1 LYS 199 HD3 -0.01 -0.05 -0.15 -0.04 1.68 1.43 2dh3A1 LYS 199 HE2 -0.01 0.03 -0.05 -0.04 2.99 2.91 2dh3A1 LYS 199 HE3 -0.01 -0.09 -0.05 -0.04 2.99 2.80 2dh3A1 SER 200 H -0.04 0.28 -0.41 -0.55 8.46 7.74 2dh3A1 SER 200 HA -0.06 -0.00 0.30 -0.75 4.49 3.97 2dh3A1 SER 200 HB2 -0.01 0.14 -0.02 -0.04 3.95 4.02 2dh3A1 SER 200 HB3 -0.01 -0.02 0.20 -0.04 3.93 4.05 2dh3A1 ILE 201 H -0.09 0.57 -0.04 -0.55 8.25 8.14 2dh3A1 ILE 201 HA -0.08 0.25 0.78 -0.75 4.18 4.37 2dh3A1 ILE 201 HB -0.07 -0.07 0.04 -0.04 1.89 1.75 2dh3A1 ILE 201 HG12 -0.02 0.17 -0.09 -0.04 1.49 1.51 2dh3A1 ILE 201 HG13 -0.03 0.24 -0.61 -0.04 1.21 0.77 2dh3A1 ILE 201 HG23 -0.06 -0.04 -0.26 -0.04 0.93 0.53 2dh3A1 ILE 201 HD13 -0.02 -0.08 -0.09 -0.04 0.88 0.65 2dh3A1 ARG 202 H -0.28 0.65 0.13 -0.55 8.46 8.40 2dh3A1 ARG 202 HA -0.39 0.10 0.64 -0.75 4.34 3.94 2dh3A1 ARG 202 HB2 -1.33 0.02 0.07 -0.04 1.90 0.62 2dh3A1 ARG 202 HB3 -1.15 -0.09 0.03 -0.04 1.80 0.55 2dh3A1 ARG 202 HG2 -0.74 0.19 0.02 -0.04 1.67 1.10 2dh3A1 ARG 202 HG3 -2.65 -0.06 -0.02 -0.04 1.67 -1.09 2dh3A1 ARG 202 HD2 -0.53 -0.02 -0.01 -0.04 3.22 2.61 2dh3A1 ARG 202 HD3 -0.39 -0.00 -0.20 -0.04 3.22 2.58 2dh3A1 VAL 203 H -0.27 0.18 0.18 -0.55 8.24 7.78 2dh3A1 VAL 203 HA -0.11 0.25 1.03 -0.75 4.13 4.54 2dh3A1 VAL 203 HB -0.19 -0.03 0.14 -0.04 2.12 1.99 2dh3A1 VAL 203 HG13 -0.14 -0.02 -0.18 -0.04 0.97 0.59 2dh3A1 VAL 203 HG23 -0.18 0.03 -0.18 -0.04 0.95 0.57 2dh3A1 ILE 204 H -0.04 0.66 0.20 -0.55 8.25 8.53 2dh3A1 ILE 204 HA -0.15 0.17 0.77 -0.75 4.18 4.22 2dh3A1 ILE 204 HB 0.03 0.01 -0.11 -0.04 1.89 1.78 2dh3A1 ILE 204 HG12 0.15 -0.02 -0.37 -0.04 1.49 1.22 2dh3A1 ILE 204 HG13 0.22 -0.03 -0.46 -0.04 1.21 0.89 2dh3A1 ILE 204 HG23 -0.04 -0.02 -0.64 -0.04 0.93 0.19 2dh3A1 ILE 204 HD13 0.27 0.01 -0.30 -0.04 0.88 0.83 2dh3A1 LEU 205 H -0.35 0.54 0.25 -0.55 8.37 8.26 2dh3A1 LEU 205 HA -0.17 0.24 0.78 -0.75 4.35 4.45 2dh3A1 LEU 205 HB2 -0.31 0.01 0.03 -0.04 1.64 1.33 2dh3A1 LEU 205 HB3 -0.31 0.01 0.12 -0.04 1.64 1.41 2dh3A1 LEU 205 HG -0.33 0.08 -0.15 -0.04 1.64 1.20 2dh3A1 LEU 205 HD13 -0.36 0.01 -0.03 -0.04 0.93 0.51 2dh3A1 LEU 205 HD23 -1.14 -0.01 -0.06 -0.04 0.89 -0.36 2dh3A1 ASP 206 H -0.16 0.65 0.32 -0.55 8.40 8.66 2dh3A1 ASP 206 HA -0.05 0.10 0.83 -0.75 4.63 4.76 2dh3A1 ASP 206 HB2 -0.10 0.11 -0.26 -0.04 2.71 2.41 2dh3A1 ASP 206 HB3 -0.18 -0.10 -0.26 -0.04 2.70 2.12 2dh3A1 LEU 207 H -0.06 0.66 0.29 -0.55 8.37 8.72 2dh3A1 LEU 207 HA -0.16 0.17 0.83 -0.75 4.35 4.43 2dh3A1 LEU 207 HB2 -0.15 0.05 0.07 -0.04 1.64 1.57 2dh3A1 LEU 207 HB3 -0.23 -0.06 0.16 -0.04 1.64 1.48 2dh3A1 LEU 207 HG 0.09 0.05 -0.29 -0.04 1.64 1.46 2dh3A1 LEU 207 HD13 -0.30 -0.00 -0.08 -0.04 0.93 0.51 2dh3A1 LEU 207 HD23 -0.14 0.01 -0.08 -0.04 0.89 0.64 2dh3A1 THR 208 H -0.15 0.09 -0.12 -0.55 8.28 7.55 2dh3A1 THR 208 HA -0.49 0.08 0.49 -0.75 4.39 3.71 2dh3A1 THR 208 HB -0.16 0.05 0.06 -0.04 4.32 4.23 2dh3A1 THR 208 HG23 -0.37 0.02 -0.16 -0.04 1.22 0.68 2dh3A1 PRO 209 HA 0.03 0.05 0.14 -0.51 4.44 4.15 2dh3A1 PRO 209 HB2 -0.18 -0.02 0.15 -0.04 2.28 2.19 2dh3A1 PRO 209 HB3 0.16 -0.01 0.06 -0.04 2.02 2.19 2dh3A1 PRO 209 HG2 -0.25 -0.04 0.11 -0.04 2.03 1.81 2dh3A1 PRO 209 HG3 -0.16 0.08 0.14 -0.04 2.03 2.05 2dh3A1 PRO 209 HD2 -1.67 0.15 0.15 -0.04 3.68 2.26 2dh3A1 PRO 209 HD3 -0.97 0.14 0.33 -0.04 3.65 3.10 2dh3A1 ASN 210 H -0.59 0.61 0.04 -0.55 8.53 8.05 2dh3A1 ASN 210 HA -0.26 0.11 0.67 -0.75 4.76 4.54 2dh3A1 ASN 210 HB2 -2.14 -0.01 -0.03 -0.04 2.88 0.66 2dh3A1 ASN 210 HB3 -0.70 0.08 0.15 -0.04 2.79 2.28 2dh3A1 ASN 210 HD21 -0.12 -0.08 0.10 -0.04 7.03 6.89 2dh3A1 ASN 210 HD22 -0.37 0.32 0.12 -0.04 7.74 7.76 2dh3A1 TYR 211 H 0.19 0.46 -0.19 -0.55 8.29 8.19 2dh3A1 TYR 211 HA -0.18 0.09 0.34 -0.75 4.56 4.06 2dh3A1 TYR 211 HB2 -0.11 -0.03 0.10 -0.04 3.06 2.98 2dh3A1 TYR 211 HB3 -0.15 0.19 -0.02 -0.04 2.98 2.97 2dh3A1 TYR 211 HD2 -0.14 0.09 -0.02 -0.04 7.15 7.05 2dh3A1 TYR 211 HE2 -0.33 0.05 -0.09 -0.04 6.85 6.44 2dh3A1 ARG 212 H -0.32 -0.07 -0.41 -0.55 8.46 7.11 2dh3A1 ARG 212 HA -0.24 0.24 0.87 -0.75 4.34 4.46 2dh3A1 ARG 212 HB2 -0.22 -0.12 -0.05 -0.04 1.90 1.46 2dh3A1 ARG 212 HB3 -0.21 0.00 0.10 -0.04 1.80 1.65 2dh3A1 ARG 212 HG2 -0.98 0.06 -0.28 -0.04 1.67 0.43 2dh3A1 ARG 212 HG3 -0.65 -0.00 -0.07 -0.04 1.67 0.91 2dh3A1 ARG 212 HD2 -0.31 0.12 0.08 -0.04 3.22 3.06 2dh3A1 ARG 212 HD3 -0.21 -0.08 0.06 -0.04 3.22 2.95 2dh3A1 GLY 213 H -0.18 0.09 -0.21 -0.55 8.43 7.58 2dh3A1 GLY 213 HA2 -0.07 0.19 0.71 -0.51 4.01 4.32 2dh3A1 GLY 213 HA3 -0.10 -0.06 0.26 -0.51 4.01 3.60 2dh3A1 GLU 214 H -0.04 0.08 0.10 -0.55 8.60 8.20 2dh3A1 GLU 214 HA -0.04 0.19 0.50 -0.75 4.29 4.19 2dh3A1 GLU 214 HB2 -0.01 -0.03 0.09 -0.04 2.09 2.10 2dh3A1 GLU 214 HB3 -0.01 0.01 0.00 -0.04 1.99 1.95 2dh3A1 GLU 214 HG2 -0.02 0.05 -0.06 -0.04 2.34 2.28 2dh3A1 GLU 214 HG3 -0.02 -0.01 -0.01 -0.04 2.34 2.26 2dh3A1 ASN 215 H -0.04 0.07 -0.00 -0.55 8.53 8.01 2dh3A1 ASN 215 HA 0.01 0.16 0.86 -0.75 4.76 5.04 2dh3A1 ASN 215 HB2 0.03 0.04 0.03 -0.04 2.88 2.93 2dh3A1 ASN 215 HB3 0.01 0.06 0.11 -0.04 2.79 2.93 2dh3A1 ASN 215 HD21 0.13 0.03 -0.39 -0.04 7.03 6.76 2dh3A1 ASN 215 HD22 0.09 0.15 -0.28 -0.04 7.74 7.67 2dh3A1 SER 216 H -0.06 0.22 -0.03 -0.55 8.46 8.05 2dh3A1 SER 216 HA -0.35 0.34 0.18 -0.75 4.49 3.90 2dh3A1 SER 216 HB2 -0.20 0.01 -0.02 -0.04 3.95 3.70 2dh3A1 SER 216 HB3 -0.68 -0.02 -0.12 -0.04 3.93 3.07 2dh3A1 TRP 217 H 0.08 0.06 -0.52 -0.55 7.97 7.05 2dh3A1 TRP 217 HA -0.05 0.19 0.83 -0.75 4.62 4.84 2dh3A1 TRP 217 HB2 0.02 0.10 -0.07 -0.04 3.23 3.24 2dh3A1 TRP 217 HB3 0.05 -0.00 0.13 -0.04 3.23 3.37 2dh3A1 TRP 217 HD1 0.01 -0.04 -0.21 -0.04 7.22 6.93 2dh3A1 TRP 217 HE1 0.03 0.15 -0.39 -0.04 10.20 9.96 2dh3A1 TRP 217 HE3 0.06 -0.04 -0.01 -0.04 7.59 7.55 2dh3A1 TRP 217 HZ2 0.07 -0.02 -0.16 -0.04 7.44 7.29 2dh3A1 TRP 217 HZ3 -0.01 0.01 -0.04 -0.04 7.13 7.06 2dh3A1 TRP 217 HH2 -0.05 0.03 -0.07 -0.04 7.19 7.06 2dh3A1 PHE 218 H -0.31 0.41 -0.30 -0.55 8.34 7.58 2dh3A1 PHE 218 HA 0.04 0.01 0.37 -0.75 4.62 4.29 2dh3A1 PHE 218 HB2 0.09 0.17 0.02 -0.04 3.15 3.39 2dh3A1 PHE 218 HB3 0.05 -0.04 -0.03 -0.04 3.06 3.00 2dh3A1 PHE 218 HD2 0.05 0.02 -0.20 -0.04 7.28 7.11 2dh3A1 PHE 218 HE2 0.01 -0.04 -0.15 -0.04 7.38 7.15 2dh3A1 PHE 218 HZ 0.03 0.14 -0.24 -0.04 7.32 7.21 2dh3A1 SER 219 H 0.29 0.69 0.43 -0.55 8.46 9.32 2dh3A1 SER 219 HA 0.12 0.08 0.24 -0.75 4.49 4.18 2dh3A1 SER 219 HB2 0.08 -0.04 0.24 -0.04 3.95 4.19 2dh3A1 SER 219 HB3 0.12 0.14 -0.08 -0.04 3.93 4.07 2dh3A1 THR 220 H 0.07 0.15 0.14 -0.55 8.28 8.10 2dh3A1 THR 220 HA 0.06 0.13 0.62 -0.75 4.39 4.45 2dh3A1 THR 220 HB 0.04 0.01 0.04 -0.04 4.32 4.37 2dh3A1 THR 220 HG23 0.03 0.00 0.11 -0.04 1.22 1.32 2dh3A1 GLN 221 H 0.07 0.04 -0.26 -0.55 8.47 7.78 2dh3A1 GLN 221 HA 0.05 0.08 0.70 -0.75 4.36 4.43 2dh3A1 GLN 221 HB2 0.05 0.01 0.14 -0.04 2.15 2.31 2dh3A1 GLN 221 HB3 0.04 0.00 0.02 -0.04 2.02 2.04 2dh3A1 GLN 221 HG2 0.04 -0.08 0.01 -0.04 2.40 2.33 2dh3A1 GLN 221 HG3 0.03 0.04 0.03 -0.04 2.39 2.45 2dh3A1 GLN 221 HE21 0.02 0.04 -0.03 -0.04 6.97 6.96 2dh3A1 GLN 221 HE22 0.03 -0.05 -0.10 -0.04 7.69 7.53 2dh3A1 VAL 222 H 0.05 0.19 0.12 -0.55 8.24 8.05 2dh3A1 VAL 222 HA 0.07 0.20 0.40 -0.75 4.13 4.05 2dh3A1 VAL 222 HB 0.06 -0.09 0.18 -0.04 2.12 2.23 2dh3A1 VAL 222 HG13 -0.30 0.01 -0.10 -0.04 0.97 0.53 2dh3A1 VAL 222 HG23 -0.02 0.12 0.02 -0.04 0.95 1.03 2dh3A1 ASP 223 H 0.08 0.15 0.10 -0.55 8.40 8.19 2dh3A1 ASP 223 HA 0.10 0.08 0.39 -0.75 4.63 4.45 2dh3A1 ASP 223 HB2 0.04 -0.07 -0.08 -0.04 2.71 2.56 2dh3A1 ASP 223 HB3 0.04 0.09 0.03 -0.04 2.70 2.82 2dh3A1 THR 224 H 0.03 0.13 0.08 -0.55 8.28 7.96 2dh3A1 THR 224 HA 0.03 0.04 0.37 -0.75 4.39 4.08 2dh3A1 THR 224 HB -0.03 0.04 0.09 -0.04 4.32 4.38 2dh3A1 THR 224 HG23 -0.03 0.01 0.01 -0.04 1.22 1.16 2dh3A1 VAL 225 H 0.06 0.80 0.09 -0.55 8.24 8.64 2dh3A1 VAL 225 HA 0.07 0.07 0.40 -0.75 4.13 3.92 2dh3A1 VAL 225 HB 0.20 -0.01 0.09 -0.04 2.12 2.36 2dh3A1 VAL 225 HG13 0.45 -0.00 -0.03 -0.04 0.97 1.35 2dh3A1 VAL 225 HG23 0.10 0.04 0.09 -0.04 0.95 1.14 2dh3A1 ALA 226 H 0.08 0.20 -0.34 -0.55 8.40 7.79 2dh3A1 ALA 226 HA 0.27 0.09 0.47 -0.75 4.34 4.41 2dh3A1 ALA 226 HB3 0.01 0.03 -0.01 -0.04 1.41 1.40 2dh3A1 THR 227 H 0.11 0.36 -0.25 -0.55 8.28 7.95 2dh3A1 THR 227 HA 0.14 0.06 0.46 -0.75 4.39 4.29 2dh3A1 THR 227 HB 0.05 0.13 0.09 -0.04 4.32 4.54 2dh3A1 THR 227 HG23 0.05 -0.01 -0.03 -0.04 1.22 1.19 2dh3A1 LYS 228 H 0.05 0.36 -0.18 -0.55 8.42 8.09 2dh3A1 LYS 228 HA -0.02 0.02 0.46 -0.75 4.32 4.04 2dh3A1 LYS 228 HB2 0.02 0.20 0.18 -0.04 1.87 2.23 2dh3A1 LYS 228 HB3 -0.03 -0.10 0.07 -0.04 1.79 1.69 2dh3A1 LYS 228 HG2 -0.02 -0.05 0.10 -0.04 1.46 1.45 2dh3A1 LYS 228 HG3 0.00 0.15 0.15 -0.04 1.46 1.72 2dh3A1 LYS 228 HD2 -0.00 -0.06 0.03 -0.04 1.69 1.62 2dh3A1 LYS 228 HD3 -0.00 -0.01 0.05 -0.04 1.68 1.67 2dh3A1 LYS 228 HE2 -0.04 -0.08 -0.02 -0.04 2.99 2.80 2dh3A1 LYS 228 HE3 -0.09 0.00 -0.03 -0.04 2.99 2.83 2dh3A1 VAL 229 H 0.01 0.29 -0.31 -0.55 8.24 7.68 2dh3A1 VAL 229 HA -0.22 0.04 0.39 -0.75 4.13 3.58 2dh3A1 VAL 229 HB -0.30 0.10 0.12 -0.04 2.12 2.00 2dh3A1 VAL 229 HG13 -1.23 -0.01 -0.08 -0.04 0.97 -0.39 2dh3A1 VAL 229 HG23 -0.07 0.07 0.07 -0.04 0.95 0.97 2dh3A1 LYS 230 H 0.06 0.39 -0.16 -0.55 8.42 8.16 2dh3A1 LYS 230 HA 0.02 0.03 0.44 -0.75 4.32 4.05 2dh3A1 LYS 230 HB2 0.12 0.14 0.19 -0.04 1.87 2.29 2dh3A1 LYS 230 HB3 0.10 -0.01 -0.05 -0.04 1.79 1.79 2dh3A1 LYS 230 HG2 0.37 -0.02 0.03 -0.04 1.46 1.79 2dh3A1 LYS 230 HG3 0.43 0.08 0.05 -0.04 1.46 1.97 2dh3A1 LYS 230 HD2 0.19 -0.03 -0.03 -0.04 1.69 1.78 2dh3A1 LYS 230 HD3 0.14 -0.01 -0.00 -0.04 1.68 1.77 2dh3A1 LYS 230 HE2 0.16 0.01 -0.03 -0.04 2.99 3.08 2dh3A1 LYS 230 HE3 0.10 -0.01 -0.03 -0.04 2.99 3.01 2dh3A1 ASP 231 H -0.01 0.40 -0.20 -0.55 8.40 8.04 2dh3A1 ASP 231 HA 0.01 0.06 0.45 -0.75 4.63 4.39 2dh3A1 ASP 231 HB2 -0.04 0.09 0.12 -0.04 2.71 2.85 2dh3A1 ASP 231 HB3 -0.04 -0.04 0.01 -0.04 2.70 2.59 2dh3A1 ALA 232 H -0.07 0.39 -0.21 -0.55 8.40 7.96 2dh3A1 ALA 232 HA -0.01 0.01 0.39 -0.75 4.34 3.97 2dh3A1 ALA 232 HB3 0.05 0.03 0.05 -0.04 1.41 1.49 2dh3A1 LEU 233 H -0.18 0.48 -0.15 -0.55 8.37 7.97 2dh3A1 LEU 233 HA -0.44 0.03 0.37 -0.75 4.35 3.55 2dh3A1 LEU 233 HB2 -0.15 0.10 0.13 -0.04 1.64 1.68 2dh3A1 LEU 233 HB3 -0.21 0.02 -0.06 -0.04 1.64 1.35 2dh3A1 LEU 233 HG -0.57 0.16 0.08 -0.04 1.64 1.27 2dh3A1 LEU 233 HD13 -0.28 -0.01 -0.01 -0.04 0.93 0.58 2dh3A1 LEU 233 HD23 -1.40 -0.01 -0.06 -0.04 0.89 -0.61 2dh3A1 GLU 234 H 0.00 0.35 -0.17 -0.55 8.60 8.23 2dh3A1 GLU 234 HA 0.05 0.06 0.34 -0.75 4.29 3.98 2dh3A1 GLU 234 HB2 0.05 0.07 0.14 -0.04 2.09 2.31 2dh3A1 GLU 234 HB3 0.06 -0.03 0.03 -0.04 1.99 2.02 2dh3A1 GLU 234 HG2 0.08 0.00 0.03 -0.04 2.34 2.41 2dh3A1 GLU 234 HG3 0.05 0.04 0.08 -0.04 2.34 2.47 2dh3A1 PHE 235 H 0.12 0.41 -0.31 -0.55 8.34 8.00 2dh3A1 PHE 235 HA -0.14 0.02 0.45 -0.75 4.62 4.20 2dh3A1 PHE 235 HB2 -0.22 0.00 0.11 -0.04 3.15 3.00 2dh3A1 PHE 235 HB3 -0.37 0.06 0.21 -0.04 3.06 2.92 2dh3A1 PHE 235 HD2 -1.18 0.02 -0.04 -0.04 7.28 6.03 2dh3A1 PHE 235 HE2 -1.19 -0.02 -0.00 -0.04 7.38 6.12 2dh3A1 PHE 235 HZ -0.42 -0.05 0.02 -0.04 7.32 6.83 2dh3A1 TRP 236 H 0.30 0.75 0.07 -0.55 7.97 8.54 2dh3A1 TRP 236 HA -0.06 0.00 0.35 -0.75 4.62 4.15 2dh3A1 TRP 236 HB2 0.40 0.12 0.08 -0.04 3.23 3.79 2dh3A1 TRP 236 HB3 0.13 -0.06 0.03 -0.04 3.23 3.30 2dh3A1 TRP 236 HD1 0.13 0.03 -0.05 -0.04 7.22 7.28 2dh3A1 TRP 236 HE1 -0.04 0.26 0.01 -0.04 10.20 10.39 2dh3A1 TRP 236 HE3 -0.02 -0.00 0.01 -0.04 7.59 7.53 2dh3A1 TRP 236 HZ2 -0.07 0.02 -0.19 -0.04 7.44 7.16 2dh3A1 TRP 236 HZ3 -0.51 -0.03 -0.03 -0.04 7.13 6.52 2dh3A1 TRP 236 HH2 -0.19 -0.10 -0.07 -0.04 7.19 6.78 2dh3A1 LEU 237 H 0.13 0.55 -0.16 -0.55 8.37 8.34 2dh3A1 LEU 237 HA -0.15 0.10 0.67 -0.75 4.35 4.22 2dh3A1 LEU 237 HB2 -0.41 0.08 0.09 -0.04 1.64 1.36 2dh3A1 LEU 237 HB3 -1.59 0.01 -0.01 -0.04 1.64 0.00 2dh3A1 LEU 237 HG 0.29 -0.02 0.02 -0.04 1.64 1.89 2dh3A1 LEU 237 HD13 0.01 -0.03 -0.14 -0.04 0.93 0.74 2dh3A1 LEU 237 HD23 -0.04 0.01 -0.04 -0.04 0.89 0.79 2dh3A1 GLN 238 H -0.16 0.35 -0.13 -0.55 8.47 7.99 2dh3A1 GLN 238 HA 0.11 0.08 0.52 -0.75 4.36 4.32 2dh3A1 GLN 238 HB2 -0.16 0.17 0.18 -0.04 2.15 2.29 2dh3A1 GLN 238 HB3 -0.04 -0.08 0.07 -0.04 2.02 1.93 2dh3A1 GLN 238 HG2 0.22 -0.03 0.07 -0.04 2.40 2.62 2dh3A1 GLN 238 HG3 0.09 0.11 0.11 -0.04 2.39 2.67 2dh3A1 GLN 238 HE21 0.06 -0.09 0.00 -0.04 6.97 6.90 2dh3A1 GLN 238 HE22 0.12 0.05 0.03 -0.04 7.69 7.84 2dh3A1 ALA 239 H -0.12 0.17 -0.34 -0.55 8.40 7.56 2dh3A1 ALA 239 HA -0.03 0.05 0.64 -0.75 4.34 4.24 2dh3A1 ALA 239 HB3 0.07 -0.01 0.09 -0.04 1.41 1.52 2dh3A1 GLY 240 H 0.02 0.24 -0.41 -0.55 8.43 7.74 2dh3A1 GLY 240 HA2 0.05 0.12 0.22 -0.51 4.01 3.88 2dh3A1 GLY 240 HA3 0.03 0.05 0.48 -0.51 4.01 4.06 2dh3A1 VAL 241 H 0.06 0.30 0.21 -0.55 8.24 8.26 2dh3A1 VAL 241 HA -0.07 0.09 0.67 -0.75 4.13 4.07 2dh3A1 VAL 241 HB -0.24 0.04 0.24 -0.04 2.12 2.12 2dh3A1 VAL 241 HG13 0.17 -0.00 -0.01 -0.04 0.97 1.09 2dh3A1 VAL 241 HG23 -0.31 0.02 -0.18 -0.04 0.95 0.43 2dh3A1 ASP 242 H -0.15 0.47 0.35 -0.55 8.40 8.52 2dh3A1 ASP 242 HA 0.05 0.25 0.78 -0.75 4.63 4.95 2dh3A1 ASP 242 HB2 -0.25 -0.08 0.02 -0.04 2.71 2.36 2dh3A1 ASP 242 HB3 -0.12 0.03 0.18 -0.04 2.70 2.75 2dh3A1 GLY 243 H -0.30 0.17 0.04 -0.55 8.43 7.79 2dh3A1 GLY 243 HA2 -0.03 0.14 0.36 -0.51 4.01 3.96 2dh3A1 GLY 243 HA3 0.01 0.05 0.60 -0.51 4.01 4.17 2dh3A1 PHE 244 H 0.07 0.52 0.28 -0.55 8.34 8.66 2dh3A1 PHE 244 HA -0.05 0.26 0.97 -0.75 4.62 5.04 2dh3A1 PHE 244 HB2 -0.03 -0.02 0.02 -0.04 3.15 3.09 2dh3A1 PHE 244 HB3 -0.07 -0.01 0.02 -0.04 3.06 2.96 2dh3A1 PHE 244 HD2 -0.06 0.05 -0.09 -0.04 7.28 7.14 2dh3A1 PHE 244 HE2 -0.00 0.02 -0.10 -0.04 7.38 7.25 2dh3A1 PHE 244 HZ 0.13 -0.01 -0.06 -0.04 7.32 7.34 2dh3A1 GLN 245 H 0.07 0.57 0.27 -0.55 8.47 8.84 2dh3A1 GLN 245 HA 0.05 0.39 0.90 -0.75 4.36 4.95 2dh3A1 GLN 245 HB2 -0.00 0.04 -0.22 -0.04 2.15 1.93 2dh3A1 GLN 245 HB3 -0.01 -0.08 -0.13 -0.04 2.02 1.76 2dh3A1 GLN 245 HG2 0.02 -0.11 -0.33 -0.04 2.40 1.94 2dh3A1 GLN 245 HG3 0.01 0.05 -0.17 -0.04 2.39 2.24 2dh3A1 GLN 245 HE21 -0.02 0.07 -0.18 -0.04 6.97 6.80 2dh3A1 GLN 245 HE22 -0.03 -0.11 -0.25 -0.04 7.69 7.26 2dh3A1 VAL 246 H 0.09 0.57 0.22 -0.55 8.24 8.56 2dh3A1 VAL 246 HA 0.04 -0.01 0.61 -0.75 4.13 4.02 2dh3A1 VAL 246 HB 0.51 0.01 -0.06 -0.04 2.12 2.54 2dh3A1 VAL 246 HG13 0.03 0.01 -0.24 -0.04 0.97 0.73 2dh3A1 VAL 246 HG23 0.27 0.01 -0.02 -0.04 0.95 1.17 2dh3A1 ARG 247 H 0.03 0.13 0.07 -0.55 8.46 8.14 2dh3A1 ARG 247 HA 0.11 0.16 0.89 -0.75 4.34 4.76 2dh3A1 ARG 247 HB2 -0.01 0.03 -0.03 -0.04 1.90 1.85 2dh3A1 ARG 247 HB3 0.04 -0.06 -0.04 -0.04 1.80 1.70 2dh3A1 ARG 247 HG2 0.03 -0.02 -0.14 -0.04 1.67 1.50 2dh3A1 ARG 247 HG3 0.01 -0.01 -0.29 -0.04 1.67 1.34 2dh3A1 ARG 247 HD2 0.01 -0.08 -0.18 -0.04 3.22 2.93 2dh3A1 ARG 247 HD3 0.00 0.21 -0.25 -0.04 3.22 3.14 2dh3A1 ASP 248 H 0.11 0.16 0.07 -0.55 8.40 8.19 2dh3A1 ASP 248 HA 0.13 -0.11 0.39 -0.75 4.63 4.29 2dh3A1 ASP 248 HB2 0.13 0.16 -0.08 -0.04 2.71 2.88 2dh3A1 ASP 248 HB3 0.16 -0.07 0.19 -0.04 2.70 2.94 2dh3A1 ILE 249 H 0.18 0.48 0.01 -0.55 8.25 8.37 2dh3A1 ILE 249 HA 0.09 0.14 0.32 -0.75 4.18 3.99 2dh3A1 ILE 249 HB -0.01 0.00 -0.02 -0.04 1.89 1.83 2dh3A1 ILE 249 HG12 0.08 0.02 -0.04 -0.04 1.49 1.50 2dh3A1 ILE 249 HG13 0.03 -0.03 -0.25 -0.04 1.21 0.92 2dh3A1 ILE 249 HG23 0.17 0.04 -0.09 -0.04 0.93 1.01 2dh3A1 ILE 249 HD13 0.03 0.02 -0.19 -0.04 0.88 0.69 2dh3A1 GLU 250 H 0.08 -0.01 -0.21 -0.55 8.60 7.91 2dh3A1 GLU 250 HA 0.01 0.14 0.47 -0.75 4.29 4.15 2dh3A1 GLU 250 HB2 0.03 0.07 0.08 -0.04 2.09 2.23 2dh3A1 GLU 250 HB3 0.04 -0.06 0.10 -0.04 1.99 2.02 2dh3A1 GLU 250 HG2 0.06 0.12 -0.23 -0.04 2.34 2.26 2dh3A1 GLU 250 HG3 0.05 0.03 -0.03 -0.04 2.34 2.34 2dh3A1 ASN 251 H 0.13 0.30 -0.39 -0.55 8.53 8.03 2dh3A1 ASN 251 HA 0.06 0.15 0.69 -0.75 4.76 4.91 2dh3A1 ASN 251 HB2 0.33 0.13 0.03 -0.04 2.88 3.33 2dh3A1 ASN 251 HB3 0.17 -0.06 0.07 -0.04 2.79 2.94 2dh3A1 ASN 251 HD21 0.07 0.03 0.01 -0.04 7.03 7.11 2dh3A1 ASN 251 HD22 0.12 -0.09 0.07 -0.04 7.74 7.80 2dh3A1 LEU 252 H -0.12 0.50 -0.41 -0.55 8.37 7.80 2dh3A1 LEU 252 HA -0.29 0.11 0.78 -0.75 4.35 4.20 2dh3A1 LEU 252 HB2 -1.40 -0.03 -0.01 -0.04 1.64 0.16 2dh3A1 LEU 252 HB3 -0.45 0.09 0.15 -0.04 1.64 1.39 2dh3A1 LEU 252 HG -0.43 0.16 -0.32 -0.04 1.64 1.01 2dh3A1 LEU 252 HD13 -0.85 -0.03 -0.00 -0.04 0.93 0.01 2dh3A1 LEU 252 HD23 -0.87 -0.02 -0.06 -0.04 0.89 -0.10 2dh3A1 LYS 253 H -0.08 0.18 0.12 -0.55 8.42 8.08 2dh3A1 LYS 253 HA -0.02 0.02 0.52 -0.75 4.32 4.08 2dh3A1 LYS 253 HB2 0.01 0.02 0.18 -0.04 1.87 2.04 2dh3A1 LYS 253 HB3 0.00 0.01 0.20 -0.04 1.79 1.96 2dh3A1 LYS 253 HG2 0.08 -0.03 -0.20 -0.04 1.46 1.27 2dh3A1 LYS 253 HG3 0.02 -0.06 0.04 -0.04 1.46 1.42 2dh3A1 LYS 253 HD2 0.02 -0.01 0.08 -0.04 1.69 1.73 2dh3A1 LYS 253 HD3 0.04 0.22 0.17 -0.04 1.68 2.06 2dh3A1 LYS 253 HE2 0.03 0.00 0.05 -0.04 2.99 3.03 2dh3A1 LYS 253 HE3 0.05 -0.06 0.04 -0.04 2.99 2.98 2dh3A1 ASP 254 H -0.01 0.13 0.19 -0.55 8.40 8.17 2dh3A1 ASP 254 HA -0.04 0.02 0.34 -0.75 4.63 4.19 2dh3A1 ASP 254 HB2 0.14 0.14 -0.10 -0.04 2.71 2.85 2dh3A1 ASP 254 HB3 -0.15 -0.05 0.20 -0.04 2.70 2.66 2dh3A1 ALA 255 H -0.05 0.23 -0.11 -0.55 8.40 7.92 2dh3A1 ALA 255 HA -0.11 0.06 0.14 -0.75 4.34 3.68 2dh3A1 ALA 255 HB3 -0.08 0.06 0.07 -0.04 1.41 1.42 2dh3A1 SER 256 H -0.08 0.09 -0.10 -0.55 8.46 7.83 2dh3A1 SER 256 HA -0.09 0.10 0.30 -0.75 4.49 4.05 2dh3A1 SER 256 HB2 -0.08 0.08 0.03 -0.04 3.95 3.95 2dh3A1 SER 256 HB3 -0.06 0.08 0.11 -0.04 3.93 4.02 2dh3A1 SER 257 H -0.18 0.15 -0.33 -0.55 8.46 7.56 2dh3A1 SER 257 HA -0.24 0.09 0.46 -0.75 4.49 4.05 2dh3A1 SER 257 HB2 -0.54 0.13 0.13 -0.04 3.95 3.64 2dh3A1 SER 257 HB3 -0.43 -0.01 0.04 -0.04 3.93 3.49 2dh3A1 PHE 258 H -0.31 0.44 -0.02 -0.55 8.34 7.90 2dh3A1 PHE 258 HA -0.77 0.03 0.51 -0.75 4.62 3.63 2dh3A1 PHE 258 HB2 -0.83 0.13 0.10 -0.04 3.15 2.51 2dh3A1 PHE 258 HB3 -2.34 -0.04 -0.01 -0.04 3.06 0.62 2dh3A1 PHE 258 HD2 -0.41 0.11 -0.04 -0.04 7.28 6.89 2dh3A1 PHE 258 HE2 -0.09 0.02 -0.03 -0.04 7.38 7.24 2dh3A1 PHE 258 HZ -0.06 -0.10 -0.01 -0.04 7.32 7.11 2dh3A1 LEU 259 H -0.27 0.52 -0.07 -0.55 8.37 8.01 2dh3A1 LEU 259 HA 0.03 0.01 0.40 -0.75 4.35 4.04 2dh3A1 LEU 259 HB2 -0.07 0.08 0.02 -0.04 1.64 1.63 2dh3A1 LEU 259 HB3 0.02 0.05 -0.04 -0.04 1.64 1.63 2dh3A1 LEU 259 HG -0.03 0.00 -0.04 -0.04 1.64 1.53 2dh3A1 LEU 259 HD13 0.00 -0.02 -0.15 -0.04 0.93 0.72 2dh3A1 LEU 259 HD23 0.24 -0.00 -0.09 -0.04 0.89 1.00 2dh3A1 ALA 260 H -0.19 0.33 -0.42 -0.55 8.40 7.57 2dh3A1 ALA 260 HA -0.05 0.07 0.46 -0.75 4.34 4.07 2dh3A1 ALA 260 HB3 -0.12 0.06 0.07 -0.04 1.41 1.39 2dh3A1 GLU 261 H -0.26 0.34 -0.06 -0.55 8.60 8.08 2dh3A1 GLU 261 HA -0.04 0.06 0.37 -0.75 4.29 3.92 2dh3A1 GLU 261 HB2 -0.22 0.05 0.15 -0.04 2.09 2.03 2dh3A1 GLU 261 HB3 -0.34 0.04 0.16 -0.04 1.99 1.81 2dh3A1 GLU 261 HG2 0.08 -0.01 -0.17 -0.04 2.34 2.20 2dh3A1 GLU 261 HG3 -0.02 0.00 0.02 -0.04 2.34 2.31 2dh3A1 TRP 262 H -0.16 0.57 -0.06 -0.55 7.97 7.78 2dh3A1 TRP 262 HA 0.01 0.00 0.37 -0.75 4.62 4.25 2dh3A1 TRP 262 HB2 0.02 0.06 0.02 -0.04 3.23 3.29 2dh3A1 TRP 262 HB3 -0.01 -0.01 -0.04 -0.04 3.23 3.12 2dh3A1 TRP 262 HD1 0.04 -0.02 -0.08 -0.04 7.22 7.11 2dh3A1 TRP 262 HE1 0.11 0.01 -0.01 -0.04 10.20 10.26 2dh3A1 TRP 262 HE3 0.04 0.03 -0.16 -0.04 7.59 7.46 2dh3A1 TRP 262 HZ2 -0.13 -0.07 0.02 -0.04 7.44 7.22 2dh3A1 TRP 262 HZ3 -0.07 -0.02 -0.12 -0.04 7.13 6.87 2dh3A1 TRP 262 HH2 -0.43 -0.04 -0.07 -0.04 7.19 6.61 2dh3A1 GLN 263 H 0.15 0.41 -0.35 -0.55 8.47 8.14 2dh3A1 GLN 263 HA 0.12 0.02 0.49 -0.75 4.36 4.24 2dh3A1 GLN 263 HB2 0.07 0.00 0.11 -0.04 2.15 2.29 2dh3A1 GLN 263 HB3 0.05 0.18 0.19 -0.04 2.02 2.39 2dh3A1 GLN 263 HG2 0.04 -0.06 -0.06 -0.04 2.40 2.28 2dh3A1 GLN 263 HG3 0.05 -0.01 -0.31 -0.04 2.39 2.09 2dh3A1 GLN 263 HE21 0.03 0.23 -0.19 -0.04 6.97 7.00 2dh3A1 GLN 263 HE22 0.04 -0.14 -0.25 -0.04 7.69 7.31 2dh3A1 ASN 264 H 0.07 0.42 -0.25 -0.55 8.53 8.23 2dh3A1 ASN 264 HA 0.07 0.04 0.40 -0.75 4.76 4.52 2dh3A1 ASN 264 HB2 0.05 0.15 0.17 -0.04 2.88 3.20 2dh3A1 ASN 264 HB3 0.05 -0.06 -0.00 -0.04 2.79 2.73 2dh3A1 ASN 264 HD21 -0.01 -0.05 -0.06 -0.04 7.03 6.87 2dh3A1 ASN 264 HD22 -0.00 -0.07 -0.04 -0.04 7.74 7.58 2dh3A1 ILE 265 H 0.13 0.38 -0.13 -0.55 8.25 8.08 2dh3A1 ILE 265 HA 0.12 0.05 0.53 -0.75 4.18 4.12 2dh3A1 ILE 265 HB 0.14 0.09 0.12 -0.04 1.89 2.20 2dh3A1 ILE 265 HG12 0.11 -0.03 0.01 -0.04 1.49 1.55 2dh3A1 ILE 265 HG13 0.14 0.11 0.03 -0.04 1.21 1.45 2dh3A1 ILE 265 HG23 0.10 -0.01 -0.15 -0.04 0.93 0.82 2dh3A1 ILE 265 HD13 0.20 -0.02 -0.02 -0.04 0.88 0.99 2dh3A1 THR 266 H 0.14 0.46 -0.19 -0.55 8.28 8.13 2dh3A1 THR 266 HA 0.18 -0.00 0.31 -0.75 4.39 4.13 2dh3A1 THR 266 HB 0.13 0.10 0.07 -0.04 4.32 4.59 2dh3A1 THR 266 HG23 0.18 0.03 -0.37 -0.04 1.22 1.02 2dh3A1 LYS 267 H 0.12 0.59 -0.06 -0.55 8.42 8.52 2dh3A1 LYS 267 HA 0.15 0.26 0.46 -0.75 4.32 4.44 2dh3A1 LYS 267 HB2 0.09 -0.01 0.02 -0.04 1.87 1.93 2dh3A1 LYS 267 HB3 0.10 -0.08 -0.02 -0.04 1.79 1.75 2dh3A1 LYS 267 HG2 0.09 0.06 0.07 -0.04 1.46 1.64 2dh3A1 LYS 267 HG3 0.08 -0.11 -0.01 -0.04 1.46 1.38 2dh3A1 LYS 267 HD2 0.14 -0.08 0.09 -0.04 1.69 1.80 2dh3A1 LYS 267 HD3 0.15 0.13 0.12 -0.04 1.68 2.04 2dh3A1 LYS 267 HE2 0.01 -0.05 0.09 -0.04 2.99 3.00 2dh3A1 LYS 267 HE3 0.09 -0.08 0.05 -0.04 2.99 3.01 2dh3A1 GLY 268 H 0.13 0.25 -0.56 -0.55 8.43 7.70 2dh3A1 GLY 268 HA2 0.08 -0.04 0.33 -0.51 4.01 3.87 2dh3A1 GLY 268 HA3 0.11 0.02 0.25 -0.51 4.01 3.89 2dh3A1 PHE 269 H 0.29 0.37 -0.24 -0.55 8.34 8.20 2dh3A1 PHE 269 HA 0.07 -0.05 0.42 -0.75 4.62 4.30 2dh3A1 PHE 269 HB2 0.11 0.01 0.10 -0.04 3.15 3.32 2dh3A1 PHE 269 HB3 0.12 0.09 0.08 -0.04 3.06 3.31 2dh3A1 PHE 269 HD2 0.08 0.00 -0.10 -0.04 7.28 7.23 2dh3A1 PHE 269 HE2 0.05 -0.02 -0.06 -0.04 7.38 7.31 2dh3A1 PHE 269 HZ 0.04 -0.00 -0.11 -0.04 7.32 7.20 2dh3A1 SER 270 H 0.29 0.45 -0.12 -0.55 8.46 8.54 2dh3A1 SER 270 HA 0.08 0.08 0.46 -0.75 4.49 4.37 2dh3A1 SER 270 HB2 0.14 0.12 -0.14 -0.04 3.95 4.02 2dh3A1 SER 270 HB3 0.29 0.04 -0.16 -0.04 3.93 4.06 2dh3A1 GLU 271 H 0.10 0.12 0.13 -0.55 8.60 8.40 2dh3A1 GLU 271 HA 0.15 0.16 0.57 -0.75 4.29 4.41 2dh3A1 GLU 271 HB2 0.05 -0.02 0.04 -0.04 2.09 2.13 2dh3A1 GLU 271 HB3 0.07 -0.00 0.14 -0.04 1.99 2.16 2dh3A1 GLU 271 HG2 0.05 -0.01 0.10 -0.04 2.34 2.44 2dh3A1 GLU 271 HG3 0.03 -0.02 0.04 -0.04 2.34 2.35 2dh3A1 ASP 272 H 0.19 0.03 -0.36 -0.55 8.40 7.72 2dh3A1 ASP 272 HA 0.32 0.09 0.66 -0.75 4.63 4.95 2dh3A1 ASP 272 HB2 0.15 -0.04 0.06 -0.04 2.71 2.84 2dh3A1 ASP 272 HB3 0.28 0.05 0.16 -0.04 2.70 3.15 2dh3A1 ARG 273 H 0.37 0.39 -0.57 -0.55 8.46 8.10 2dh3A1 ARG 273 HA 0.41 0.27 0.74 -0.75 4.34 5.01 2dh3A1 ARG 273 HB2 0.22 0.23 -0.05 -0.04 1.90 2.25 2dh3A1 ARG 273 HB3 0.19 -0.10 -0.14 -0.04 1.80 1.70 2dh3A1 ARG 273 HG2 0.31 -0.12 -0.57 -0.04 1.67 1.25 2dh3A1 ARG 273 HG3 0.33 -0.04 -0.07 -0.04 1.67 1.84 2dh3A1 ARG 273 HD2 0.12 -0.09 -0.10 -0.04 3.22 3.11 2dh3A1 ARG 273 HD3 0.23 0.06 0.08 -0.04 3.22 3.54 2dh3A1 LEU 274 H 0.00 0.37 0.30 -0.55 8.37 8.50 2dh3A1 LEU 274 HA -0.70 0.22 0.72 -0.75 4.35 3.83 2dh3A1 LEU 274 HB2 -1.94 0.02 -0.10 -0.04 1.64 -0.42 2dh3A1 LEU 274 HB3 -0.41 -0.01 0.04 -0.04 1.64 1.22 2dh3A1 LEU 274 HG -0.44 -0.08 -0.38 -0.04 1.64 0.71 2dh3A1 LEU 274 HD13 -1.24 -0.01 -0.02 -0.04 0.93 -0.38 2dh3A1 LEU 274 HD23 -0.56 -0.01 -0.17 -0.04 0.89 0.11 2dh3A1 LEU 275 H -0.26 0.28 0.19 -0.55 8.37 8.04 2dh3A1 LEU 275 HA 0.03 0.18 0.78 -0.75 4.35 4.58 2dh3A1 LEU 275 HB2 0.08 0.04 -0.02 -0.04 1.64 1.70 2dh3A1 LEU 275 HB3 0.02 0.00 0.13 -0.04 1.64 1.75 2dh3A1 LEU 275 HG 0.09 0.00 -0.36 -0.04 1.64 1.34 2dh3A1 LEU 275 HD13 0.14 0.02 -0.10 -0.04 0.93 0.95 2dh3A1 LEU 275 HD23 0.21 -0.01 -0.17 -0.04 0.89 0.87 2dh3A1 ILE 276 H -0.00 0.68 0.29 -0.55 8.25 8.67 2dh3A1 ILE 276 HA -0.06 0.27 0.97 -0.75 4.18 4.61 2dh3A1 ILE 276 HB -0.01 -0.11 0.07 -0.04 1.89 1.80 2dh3A1 ILE 276 HG12 -0.12 0.05 -0.15 -0.04 1.49 1.23 2dh3A1 ILE 276 HG13 -0.13 -0.06 -0.25 -0.04 1.21 0.73 2dh3A1 ILE 276 HG23 -0.04 -0.01 -0.21 -0.04 0.93 0.64 2dh3A1 ILE 276 HD13 -0.03 -0.00 -0.22 -0.04 0.88 0.59 2dh3A1 ALA 277 H -0.00 0.78 0.35 -0.55 8.40 8.98 2dh3A1 ALA 277 HA 0.09 0.20 0.95 -0.75 4.34 4.83 2dh3A1 ALA 277 HB3 0.07 -0.01 0.00 -0.04 1.41 1.44 2dh3A1 GLY 278 H 0.10 0.41 0.34 -0.55 8.43 8.73 2dh3A1 GLY 278 HA2 0.01 0.33 1.03 -0.51 4.01 4.87 2dh3A1 GLY 278 HA3 0.04 -0.01 0.28 -0.51 4.01 3.81 2dh3A1 THR 279 H 0.02 0.76 0.33 -0.55 8.28 8.83 2dh3A1 THR 279 HA 0.06 -0.06 0.97 -0.75 4.39 4.62 2dh3A1 THR 279 HB 0.03 0.06 -0.07 -0.04 4.32 4.30 2dh3A1 THR 279 HG23 0.01 0.11 -0.05 -0.04 1.22 1.24 2dh3A1 ASN 280 H 0.05 0.07 0.19 -0.55 8.53 8.30 2dh3A1 ASN 280 HA 0.04 0.17 0.80 -0.75 4.76 5.02 2dh3A1 ASN 280 HB2 0.05 -0.03 0.09 -0.04 2.88 2.95 2dh3A1 ASN 280 HB3 0.05 0.09 0.11 -0.04 2.79 3.00 2dh3A1 ASN 280 HD21 0.05 0.05 -0.01 -0.04 7.03 7.07 2dh3A1 ASN 280 HD22 0.05 -0.00 0.03 -0.04 7.74 7.78 2dh3A1 SER 281 H 0.03 -0.07 -0.06 -0.55 8.46 7.82 2dh3A1 SER 281 HA 0.04 0.12 0.41 -0.75 4.49 4.31 2dh3A1 SER 281 HB2 0.03 0.00 0.08 -0.04 3.95 4.02 2dh3A1 SER 281 HB3 0.03 0.05 -0.02 -0.04 3.93 3.95 2dh3A1 SER 282 H 0.05 0.05 0.16 -0.55 8.46 8.17 2dh3A1 SER 282 HA 0.11 0.12 0.54 -0.75 4.49 4.51 2dh3A1 SER 282 HB2 0.05 0.14 -0.01 -0.04 3.95 4.09 2dh3A1 SER 282 HB3 0.02 0.10 -0.31 -0.04 3.93 3.71 2dh3A1 ASP 283 H 0.06 -0.07 0.08 -0.55 8.40 7.92 2dh3A1 ASP 283 HA 0.09 0.18 0.57 -0.75 4.63 4.72 2dh3A1 ASP 283 HB2 0.04 0.09 0.12 -0.04 2.71 2.92 2dh3A1 ASP 283 HB3 0.04 -0.07 0.11 -0.04 2.70 2.74 2dh3A1 LEU 284 H 0.12 0.21 0.20 -0.55 8.37 8.36 2dh3A1 LEU 284 HA 0.00 0.17 0.33 -0.75 4.35 4.10 2dh3A1 LEU 284 HB2 0.22 0.12 0.13 -0.04 1.64 2.06 2dh3A1 LEU 284 HB3 0.08 -0.07 0.15 -0.04 1.64 1.75 2dh3A1 LEU 284 HG -0.02 -0.04 -0.20 -0.04 1.64 1.34 2dh3A1 LEU 284 HD13 -0.09 0.02 0.00 -0.04 0.93 0.82 2dh3A1 LEU 284 HD23 0.07 0.03 -0.05 -0.04 0.89 0.90 2dh3A1 GLN 285 H 0.03 0.09 -0.05 -0.55 8.47 8.00 2dh3A1 GLN 285 HA -0.02 0.17 0.38 -0.75 4.36 4.14 2dh3A1 GLN 285 HB2 0.01 -0.05 0.05 -0.04 2.15 2.12 2dh3A1 GLN 285 HB3 -0.00 0.05 -0.03 -0.04 2.02 2.00 2dh3A1 GLN 285 HG2 0.00 0.05 0.01 -0.04 2.40 2.42 2dh3A1 GLN 285 HG3 -0.01 0.08 0.01 -0.04 2.39 2.43 2dh3A1 GLN 285 HE21 0.03 0.03 0.01 -0.04 6.97 6.99 2dh3A1 GLN 285 HE22 0.01 0.08 -0.02 -0.04 7.69 7.71 2dh3A1 GLN 286 H 0.01 0.04 -0.33 -0.55 8.47 7.64 2dh3A1 GLN 286 HA -0.01 0.11 0.54 -0.75 4.36 4.25 2dh3A1 GLN 286 HB2 0.01 -0.03 0.05 -0.04 2.15 2.14 2dh3A1 GLN 286 HB3 0.02 0.07 -0.02 -0.04 2.02 2.04 2dh3A1 GLN 286 HG2 0.00 0.02 -0.09 -0.04 2.40 2.29 2dh3A1 GLN 286 HG3 0.00 0.03 0.04 -0.04 2.39 2.42 2dh3A1 GLN 286 HE21 0.02 -0.04 0.01 -0.04 6.97 6.92 2dh3A1 GLN 286 HE22 0.01 0.01 -0.02 -0.04 7.69 7.65 2dh3A1 ILE 287 H -0.01 0.30 -0.41 -0.55 8.25 7.59 2dh3A1 ILE 287 HA -0.02 0.02 0.43 -0.75 4.18 3.85 2dh3A1 ILE 287 HB -0.04 0.14 0.10 -0.04 1.89 2.05 2dh3A1 ILE 287 HG12 -0.02 -0.03 -0.16 -0.04 1.49 1.24 2dh3A1 ILE 287 HG13 0.00 -0.12 -0.20 -0.04 1.21 0.86 2dh3A1 ILE 287 HG23 -0.01 0.02 -0.20 -0.04 0.93 0.70 2dh3A1 ILE 287 HD13 -0.02 0.02 -0.32 -0.04 0.88 0.52 2dh3A1 LEU 288 H -0.05 0.50 0.00 -0.55 8.37 8.29 2dh3A1 LEU 288 HA -0.09 0.13 0.41 -0.75 4.35 4.05 2dh3A1 LEU 288 HB2 -0.06 -0.04 0.10 -0.04 1.64 1.61 2dh3A1 LEU 288 HB3 -0.07 0.03 -0.05 -0.04 1.64 1.51 2dh3A1 LEU 288 HG -0.13 0.04 0.02 -0.04 1.64 1.53 2dh3A1 LEU 288 HD13 -0.08 -0.02 -0.08 -0.04 0.93 0.71 2dh3A1 LEU 288 HD23 -0.22 0.03 -0.09 -0.04 0.89 0.57 2dh3A1 SER 289 H -0.03 0.31 -0.35 -0.55 8.46 7.84 2dh3A1 SER 289 HA -0.04 0.08 0.37 -0.75 4.49 4.15 2dh3A1 SER 289 HB2 -0.03 -0.05 0.02 -0.04 3.95 3.84 2dh3A1 SER 289 HB3 -0.03 0.09 0.10 -0.04 3.93 4.05 2dh3A1 LEU 290 H -0.03 0.29 -0.34 -0.55 8.37 7.74 2dh3A1 LEU 290 HA -0.04 -0.06 0.54 -0.75 4.35 4.03 2dh3A1 LEU 290 HB2 -0.03 0.26 0.08 -0.04 1.64 1.91 2dh3A1 LEU 290 HB3 -0.02 -0.03 -0.07 -0.04 1.64 1.48 2dh3A1 LEU 290 HG -0.02 0.08 0.04 -0.04 1.64 1.70 2dh3A1 LEU 290 HD13 -0.01 -0.03 -0.07 -0.04 0.93 0.78 2dh3A1 LEU 290 HD23 -0.03 -0.04 -0.07 -0.04 0.89 0.71 2dh3A1 LEU 291 H -0.04 0.33 -0.29 -0.55 8.37 7.82 2dh3A1 LEU 291 HA -0.04 0.07 0.34 -0.75 4.35 3.97 2dh3A1 LEU 291 HB2 -0.07 0.03 0.12 -0.04 1.64 1.68 2dh3A1 LEU 291 HB3 -0.06 0.03 -0.02 -0.04 1.64 1.55 2dh3A1 LEU 291 HG -0.04 -0.00 -0.02 -0.04 1.64 1.54 2dh3A1 LEU 291 HD13 -0.08 -0.01 -0.05 -0.04 0.93 0.74 2dh3A1 LEU 291 HD23 -0.03 -0.00 -0.01 -0.04 0.89 0.80 2dh3A1 GLU 292 H -0.05 0.31 -0.30 -0.55 8.60 8.02 2dh3A1 GLU 292 HA -0.04 0.06 0.35 -0.75 4.29 3.90 2dh3A1 GLU 292 HB2 -0.04 0.02 0.07 -0.04 2.09 2.09 2dh3A1 GLU 292 HB3 -0.04 0.04 -0.01 -0.04 1.99 1.94 2dh3A1 GLU 292 HG2 -0.04 -0.09 -0.01 -0.04 2.34 2.17 2dh3A1 GLU 292 HG3 -0.04 0.01 0.04 -0.04 2.34 2.31 2dh3A1 SER 293 H -0.04 0.23 -0.67 -0.55 8.46 7.42 2dh3A1 SER 293 HA -0.05 -0.02 0.47 -0.75 4.49 4.13 2dh3A1 SER 293 HB2 -0.07 -0.17 0.10 -0.04 3.95 3.78 2dh3A1 SER 293 HB3 -0.05 0.22 0.17 -0.04 3.93 4.23 2dh3A1 ASN 294 H -0.03 0.21 -0.03 -0.55 8.53 8.13 2dh3A1 ASN 294 HA -0.01 0.14 0.87 -0.75 4.76 5.01 2dh3A1 ASN 294 HB2 -0.02 -0.05 -0.10 -0.04 2.88 2.66 2dh3A1 ASN 294 HB3 0.00 0.00 0.08 -0.04 2.79 2.83 2dh3A1 ASN 294 HD21 0.02 0.01 -0.04 -0.04 7.03 6.98 2dh3A1 ASN 294 HD22 -0.00 -0.00 0.01 -0.04 7.74 7.70 2dh3A1 LYS 295 H 0.00 0.16 0.09 -0.55 8.42 8.12 2dh3A1 LYS 295 HA -0.01 0.18 0.18 -0.75 4.32 3.92 2dh3A1 LYS 295 HB2 -0.01 0.01 0.09 -0.04 1.87 1.92 2dh3A1 LYS 295 HB3 0.02 -0.02 0.04 -0.04 1.79 1.78 2dh3A1 LYS 295 HG2 -0.01 0.00 0.03 -0.04 1.46 1.45 2dh3A1 LYS 295 HG3 -0.00 0.03 0.14 -0.04 1.46 1.59 2dh3A1 LYS 295 HD2 -0.04 0.04 -0.02 -0.04 1.69 1.62 2dh3A1 LYS 295 HD3 -0.03 -0.02 -0.06 -0.04 1.68 1.53 2dh3A1 LYS 295 HE2 -0.05 0.08 0.03 -0.04 2.99 3.01 2dh3A1 LYS 295 HE3 -0.08 0.00 0.05 -0.04 2.99 2.92 2dh3A1 ASP 296 H 0.04 -0.01 -0.35 -0.55 8.40 7.53 2dh3A1 ASP 296 HA 0.11 0.21 0.65 -0.75 4.63 4.85 2dh3A1 ASP 296 HB2 0.07 -0.06 0.05 -0.04 2.71 2.73 2dh3A1 ASP 296 HB3 0.08 -0.01 0.03 -0.04 2.70 2.76 2dh3A1 LEU 297 H 0.02 0.30 -0.42 -0.55 8.37 7.72 2dh3A1 LEU 297 HA -0.01 0.10 0.70 -0.75 4.35 4.39 2dh3A1 LEU 297 HB2 0.01 -0.08 -0.01 -0.04 1.64 1.52 2dh3A1 LEU 297 HB3 0.00 0.17 0.13 -0.04 1.64 1.90 2dh3A1 LEU 297 HG 0.00 0.15 -0.09 -0.04 1.64 1.66 2dh3A1 LEU 297 HD13 0.04 -0.05 -0.09 -0.04 0.93 0.80 2dh3A1 LEU 297 HD23 -0.00 -0.04 -0.30 -0.04 0.89 0.50 2dh3A1 LEU 298 H -0.08 0.30 0.27 -0.55 8.37 8.32 2dh3A1 LEU 298 HA -0.05 0.13 0.55 -0.75 4.35 4.22 2dh3A1 LEU 298 HB2 -0.13 -0.00 0.13 -0.04 1.64 1.59 2dh3A1 LEU 298 HB3 -0.10 -0.06 -0.10 -0.04 1.64 1.34 2dh3A1 LEU 298 HG -0.03 0.05 -0.08 -0.04 1.64 1.54 2dh3A1 LEU 298 HD13 -0.06 -0.00 -0.14 -0.04 0.93 0.69 2dh3A1 LEU 298 HD23 0.06 0.04 -0.27 -0.04 0.89 0.67 2dh3A1 LEU 299 H -0.12 0.20 0.16 -0.55 8.37 8.07 2dh3A1 LEU 299 HA -0.05 0.28 1.03 -0.75 4.35 4.86 2dh3A1 LEU 299 HB2 -0.04 0.09 -0.20 -0.04 1.64 1.44 2dh3A1 LEU 299 HB3 -0.07 0.01 0.09 -0.04 1.64 1.63 2dh3A1 LEU 299 HG -0.05 0.03 -0.30 -0.04 1.64 1.28 2dh3A1 LEU 299 HD13 -0.00 0.01 -0.20 -0.04 0.93 0.70 2dh3A1 LEU 299 HD23 -0.03 -0.03 -0.10 -0.04 0.89 0.69 2dh3A1 THR 300 H -0.05 0.51 0.30 -0.55 8.28 8.49 2dh3A1 THR 300 HA -0.13 0.18 0.69 -0.75 4.39 4.38 2dh3A1 THR 300 HB -0.06 0.04 -0.15 -0.04 4.32 4.11 2dh3A1 THR 300 HG23 -0.08 0.03 -0.15 -0.04 1.22 0.97 2dh3A1 SER 301 H -0.07 0.30 0.03 -0.55 8.46 8.17 2dh3A1 SER 301 HA -0.02 0.25 0.67 -0.75 4.49 4.64 2dh3A1 SER 301 HB2 0.01 0.12 0.07 -0.04 3.95 4.11 2dh3A1 SER 301 HB3 -0.04 0.06 -0.33 -0.04 3.93 3.58 2dh3A1 SER 302 H -0.00 0.46 -0.03 -0.55 8.46 8.34 2dh3A1 SER 302 HA -0.19 0.39 0.71 -0.75 4.49 4.64 2dh3A1 SER 302 HB2 -0.02 0.06 -0.06 -0.04 3.95 3.89 2dh3A1 SER 302 HB3 -0.16 0.02 0.22 -0.04 3.93 3.97 2dh3A1 TYR 303 H 0.09 0.09 -0.39 -0.55 8.29 7.53 2dh3A1 TYR 303 HA -0.02 0.08 0.38 -0.75 4.56 4.24 2dh3A1 TYR 303 HB2 -0.05 -0.05 -0.01 -0.04 3.06 2.91 2dh3A1 TYR 303 HB3 -0.08 0.04 -0.00 -0.04 2.98 2.90 2dh3A1 TYR 303 HD2 0.01 0.10 -0.08 -0.04 7.15 7.13 2dh3A1 TYR 303 HE2 0.08 0.00 -0.07 -0.04 6.85 6.82 2dh3A1 LEU 304 H 0.00 0.12 -0.22 -0.55 8.37 7.73 2dh3A1 LEU 304 HA -0.17 0.14 0.52 -0.75 4.35 4.09 2dh3A1 LEU 304 HB2 0.01 0.07 0.06 -0.04 1.64 1.74 2dh3A1 LEU 304 HB3 0.08 -0.03 0.03 -0.04 1.64 1.67 2dh3A1 LEU 304 HG 0.22 -0.05 -0.03 -0.04 1.64 1.73 2dh3A1 LEU 304 HD13 0.12 0.04 -0.06 -0.04 0.93 0.99 2dh3A1 LEU 304 HD23 -0.03 0.01 -0.11 -0.04 0.89 0.72 2dh3A1 SER 305 H -0.17 0.26 -0.44 -0.55 8.46 7.56 2dh3A1 SER 305 HA -0.18 -0.03 0.26 -0.75 4.49 3.79 2dh3A1 SER 305 HB2 -0.26 0.09 0.24 -0.04 3.95 3.98 2dh3A1 SER 305 HB3 -0.34 -0.06 0.08 -0.04 3.93 3.57 2dh3A1 ASP 306 H -0.02 0.24 0.15 -0.55 8.40 8.22 2dh3A1 ASP 306 HA -0.01 0.00 0.48 -0.75 4.63 4.35 2dh3A1 ASP 306 HB2 -0.06 0.09 -0.03 -0.04 2.71 2.67 2dh3A1 ASP 306 HB3 -0.04 0.00 0.03 -0.04 2.70 2.64 2dh3A1 SER 307 H 0.03 0.11 0.07 -0.55 8.46 8.12 2dh3A1 SER 307 HA 0.09 0.14 0.46 -0.75 4.49 4.42 2dh3A1 SER 307 HB2 0.04 -0.13 0.22 -0.04 3.95 4.04 2dh3A1 SER 307 HB3 0.01 0.05 0.08 -0.04 3.93 4.02 2dh3A1 GLY 308 H 0.07 0.10 0.11 -0.55 8.43 8.17 2dh3A1 GLY 308 HA2 0.06 -0.01 0.37 -0.51 4.01 3.92 2dh3A1 GLY 308 HA3 0.03 0.01 0.40 -0.51 4.01 3.94 2dh3A1 SER 309 H 0.01 0.16 0.27 -0.55 8.46 8.35 2dh3A1 SER 309 HA 0.02 -0.05 0.62 -0.75 4.49 4.32 2dh3A1 SER 309 HB2 -0.00 -0.05 0.16 -0.04 3.95 4.01 2dh3A1 SER 309 HB3 -0.03 0.07 0.17 -0.04 3.93 4.09 2dh3A1 THR 310 H 0.03 -0.01 0.10 -0.55 8.28 7.85 2dh3A1 THR 310 HA -0.05 0.24 0.89 -0.75 4.39 4.71 2dh3A1 THR 310 HB 0.09 -0.12 0.15 -0.04 4.32 4.40 2dh3A1 THR 310 HG23 -0.10 0.05 -0.01 -0.04 1.22 1.12 2dh3A1 GLY 311 H 0.05 0.12 0.17 -0.55 8.43 8.22 2dh3A1 GLY 311 HA2 0.04 0.01 0.40 -0.51 4.01 3.94 2dh3A1 GLY 311 HA3 0.00 0.07 0.66 -0.51 4.01 4.23 2dh3A1 GLU 312 H -0.02 0.25 0.22 -0.55 8.60 8.50 2dh3A1 GLU 312 HA -0.20 0.14 0.75 -0.75 4.29 4.23 2dh3A1 GLU 312 HB2 -0.05 -0.03 0.16 -0.04 2.09 2.13 2dh3A1 GLU 312 HB3 0.00 0.17 -0.06 -0.04 1.99 2.06 2dh3A1 GLU 312 HG2 -0.00 0.06 0.17 -0.04 2.34 2.53 2dh3A1 GLU 312 HG3 -0.03 -0.07 -0.00 -0.04 2.34 2.20 2dh3A1 HIS 313 H -0.02 0.35 -0.58 -0.55 8.41 7.61 2dh3A1 HIS 313 HA -0.12 0.05 0.62 -0.75 4.63 4.42 2dh3A1 HIS 313 HB2 -0.09 0.10 0.14 -0.04 3.26 3.37 2dh3A1 HIS 313 HB3 -0.14 0.05 0.05 -0.04 3.20 3.12 2dh3A1 HIS 313 HD2 -0.15 0.06 -0.15 -0.04 6.97 6.69 2dh3A1 HIS 313 HE1 -0.05 -0.05 0.01 -0.04 7.75 7.62 2dh3A1 THR 314 H -0.28 0.23 -0.16 -0.55 8.28 7.52 2dh3A1 THR 314 HA -0.28 0.09 0.32 -0.75 4.39 3.76 2dh3A1 THR 314 HB -0.76 0.02 0.03 -0.04 4.32 3.57 2dh3A1 THR 314 HG23 -0.32 0.01 -0.13 -0.04 1.22 0.74 2dh3A1 LYS 315 H -0.51 0.11 -0.26 -0.55 8.42 7.22 2dh3A1 LYS 315 HA -1.56 0.07 0.39 -0.75 4.32 2.47 2dh3A1 LYS 315 HB2 -0.39 0.03 0.14 -0.04 1.87 1.62 2dh3A1 LYS 315 HB3 -0.23 0.10 0.10 -0.04 1.79 1.73 2dh3A1 LYS 315 HG2 -0.05 -0.03 -0.30 -0.04 1.46 1.04 2dh3A1 LYS 315 HG3 0.14 -0.00 0.04 -0.04 1.46 1.60 2dh3A1 LYS 315 HD2 0.24 -0.02 0.09 -0.04 1.69 1.96 2dh3A1 LYS 315 HD3 0.04 -0.00 0.04 -0.04 1.68 1.71 2dh3A1 LYS 315 HE2 0.07 -0.08 -0.05 -0.04 2.99 2.89 2dh3A1 LYS 315 HE3 0.18 0.18 0.03 -0.04 2.99 3.34 2dh3A1 SER 316 H -0.26 0.30 -0.31 -0.55 8.46 7.64 2dh3A1 SER 316 HA -0.08 0.05 0.44 -0.75 4.49 4.15 2dh3A1 SER 316 HB2 -0.09 -0.05 0.06 -0.04 3.95 3.84 2dh3A1 SER 316 HB3 -0.14 0.07 0.13 -0.04 3.93 3.95 2dh3A1 LEU 317 H -0.31 0.50 -0.06 -0.55 8.37 7.95 2dh3A1 LEU 317 HA -0.07 -0.05 0.33 -0.75 4.35 3.81 2dh3A1 LEU 317 HB2 -0.27 0.13 0.14 -0.04 1.64 1.61 2dh3A1 LEU 317 HB3 -0.33 -0.02 -0.05 -0.04 1.64 1.19 2dh3A1 LEU 317 HG -0.59 0.13 0.02 -0.04 1.64 1.16 2dh3A1 LEU 317 HD13 -0.18 0.00 -0.05 -0.04 0.93 0.67 2dh3A1 LEU 317 HD23 -0.39 -0.03 0.02 -0.04 0.89 0.46 2dh3A1 VAL 318 H -0.16 0.43 -0.35 -0.55 8.24 7.61 2dh3A1 VAL 318 HA 0.25 0.04 0.41 -0.75 4.13 4.08 2dh3A1 VAL 318 HB -0.14 0.09 0.07 -0.04 2.12 2.10 2dh3A1 VAL 318 HG13 -0.32 0.01 -0.15 -0.04 0.97 0.47 2dh3A1 VAL 318 HG23 -0.33 0.03 -0.04 -0.04 0.95 0.57 2dh3A1 THR 319 H 0.03 0.46 0.01 -0.55 8.28 8.23 2dh3A1 THR 319 HA 0.18 0.08 0.51 -0.75 4.39 4.40 2dh3A1 THR 319 HB 0.12 -0.05 0.04 -0.04 4.32 4.38 2dh3A1 THR 319 HG23 0.25 0.02 0.06 -0.04 1.22 1.51 2dh3A1 GLN 320 H 0.08 0.83 -0.11 -0.55 8.47 8.73 2dh3A1 GLN 320 HA 0.06 0.01 0.51 -0.75 4.36 4.19 2dh3A1 GLN 320 HB2 0.12 0.15 0.07 -0.04 2.15 2.46 2dh3A1 GLN 320 HB3 0.09 -0.10 -0.02 -0.04 2.02 1.95 2dh3A1 GLN 320 HG2 0.03 -0.06 0.02 -0.04 2.40 2.35 2dh3A1 GLN 320 HG3 0.01 0.09 0.01 -0.04 2.39 2.47 2dh3A1 GLN 320 HE21 0.01 -0.05 -0.03 -0.04 6.97 6.86 2dh3A1 GLN 320 HE22 0.05 -0.02 -0.03 -0.04 7.69 7.65 2dh3A1 TYR 321 H 0.29 0.44 -0.22 -0.55 8.29 8.26 2dh3A1 TYR 321 HA -0.05 -0.04 0.49 -0.75 4.56 4.21 2dh3A1 TYR 321 HB2 -0.00 0.02 0.13 -0.04 3.06 3.16 2dh3A1 TYR 321 HB3 0.20 0.16 0.17 -0.04 2.98 3.48 2dh3A1 TYR 321 HD2 -0.35 0.01 -0.14 -0.04 7.15 6.62 2dh3A1 TYR 321 HE2 -0.39 0.01 -0.07 -0.04 6.85 6.35 2dh3A1 LEU 322 H 0.25 0.62 -0.01 -0.55 8.37 8.69 2dh3A1 LEU 322 HA 0.04 0.05 0.51 -0.75 4.35 4.20 2dh3A1 LEU 322 HB2 0.16 0.03 0.16 -0.04 1.64 1.95 2dh3A1 LEU 322 HB3 0.12 -0.02 0.03 -0.04 1.64 1.73 2dh3A1 LEU 322 HG 0.31 0.04 0.05 -0.04 1.64 1.99 2dh3A1 LEU 322 HD13 -0.12 -0.00 -0.06 -0.04 0.93 0.71 2dh3A1 LEU 322 HD23 0.10 0.02 -0.01 -0.04 0.89 0.96 2dh3A1 ASN 323 H 0.06 0.46 -0.36 -0.55 8.53 8.15 2dh3A1 ASN 323 HA 0.03 0.02 0.42 -0.75 4.76 4.48 2dh3A1 ASN 323 HB2 0.05 0.36 0.28 -0.04 2.88 3.53 2dh3A1 ASN 323 HB3 0.02 -0.01 0.06 -0.04 2.79 2.82 2dh3A1 ASN 323 HD21 0.02 -0.06 0.01 -0.04 7.03 6.97 2dh3A1 ASN 323 HD22 0.01 0.01 -0.05 -0.04 7.74 7.67 2dh3A1 ALA 324 H -0.08 0.43 -0.16 -0.55 8.40 8.05 2dh3A1 ALA 324 HA -0.06 0.03 0.42 -0.75 4.34 3.98 2dh3A1 ALA 324 HB3 -0.13 -0.01 0.09 -0.04 1.41 1.32 2dh3A1 THR 325 H -0.23 0.42 -0.18 -0.55 8.28 7.74 2dh3A1 THR 325 HA -0.18 0.08 0.43 -0.75 4.39 3.97 2dh3A1 THR 325 HB -0.22 -0.00 0.13 -0.04 4.32 4.18 2dh3A1 THR 325 HG23 -0.76 -0.01 0.00 -0.04 1.22 0.42 2dh3A1 GLY 326 H -0.06 0.26 -0.54 -0.55 8.43 7.55 2dh3A1 GLY 326 HA2 -0.00 0.02 0.26 -0.51 4.01 3.78 2dh3A1 GLY 326 HA3 -0.01 0.03 0.48 -0.51 4.01 4.00 2dh3A1 ASN 327 H -0.02 0.30 -0.09 -0.55 8.53 8.18 2dh3A1 ASN 327 HA 0.03 0.02 0.30 -0.75 4.76 4.35 2dh3A1 ASN 327 HB2 0.08 0.08 0.03 -0.04 2.88 3.03 2dh3A1 ASN 327 HB3 0.09 0.03 0.19 -0.04 2.79 3.06 2dh3A1 ASN 327 HD21 0.07 -0.05 -0.11 -0.04 7.03 6.90 2dh3A1 ASN 327 HD22 0.05 -0.12 -0.47 -0.04 7.74 7.16 2dh3A1 ARG 328 H -0.01 0.09 -0.36 -0.55 8.46 7.63 2dh3A1 ARG 328 HA 0.10 0.07 0.69 -0.75 4.34 4.44 2dh3A1 ARG 328 HB2 0.00 0.01 0.02 -0.04 1.90 1.89 2dh3A1 ARG 328 HB3 0.08 -0.03 0.11 -0.04 1.80 1.92 2dh3A1 ARG 328 HG2 0.03 0.03 -0.10 -0.04 1.67 1.58 2dh3A1 ARG 328 HG3 -0.01 0.30 0.09 -0.04 1.67 2.01 2dh3A1 ARG 328 HD2 0.03 0.03 0.01 -0.04 3.22 3.25 2dh3A1 ARG 328 HD3 0.05 -0.06 0.01 -0.04 3.22 3.18 2dh3A1 TRP 329 H 0.29 0.03 0.12 -0.55 7.97 7.87 2dh3A1 TRP 329 HA -0.08 0.11 0.41 -0.75 4.62 4.30 2dh3A1 TRP 329 HB2 -0.02 -0.02 0.12 -0.04 3.23 3.27 2dh3A1 TRP 329 HB3 0.01 -0.04 0.05 -0.04 3.23 3.21 2dh3A1 TRP 329 HD1 0.01 -0.07 -0.25 -0.04 7.22 6.86 2dh3A1 TRP 329 HE1 -0.17 0.00 -0.12 -0.04 10.20 9.87 2dh3A1 TRP 329 HE3 -0.12 -0.07 -0.03 -0.04 7.59 7.33 2dh3A1 TRP 329 HZ2 -0.31 0.13 -0.06 -0.04 7.44 7.16 2dh3A1 TRP 329 HZ3 -0.14 -0.06 -0.19 -0.04 7.13 6.70 2dh3A1 TRP 329 HH2 -0.19 0.37 0.01 -0.04 7.19 7.34 2dh3A1 CYS 330 H -1.00 0.28 0.23 -0.55 8.50 7.46 2dh3A1 CYS 330 HA -0.21 0.05 0.56 -0.75 4.58 4.23 2dh3A1 CYS 330 HB2 -0.37 -0.17 0.17 -0.04 2.97 2.57 2dh3A1 CYS 330 HB3 -0.17 0.15 -0.30 -0.04 2.97 2.60 2dh3A1 SER 331 H -0.53 0.11 0.18 -0.55 8.46 7.67 2dh3A1 SER 331 HA -0.47 0.38 1.02 -0.75 4.49 4.66 2dh3A1 SER 331 HB2 -0.21 0.07 -0.02 -0.04 3.95 3.75 2dh3A1 SER 331 HB3 -0.21 -0.06 -0.10 -0.04 3.93 3.52 2dh3A1 TRP 332 H -0.18 0.64 0.23 -0.55 7.97 8.11 2dh3A1 TRP 332 HA -0.22 0.07 0.86 -0.75 4.62 4.58 2dh3A1 TRP 332 HB2 -0.25 0.12 -0.03 -0.04 3.23 3.03 2dh3A1 TRP 332 HB3 -0.18 -0.08 -0.08 -0.04 3.23 2.86 2dh3A1 TRP 332 HD1 -0.32 0.17 -0.62 -0.04 7.22 6.40 2dh3A1 TRP 332 HE1 -0.39 0.36 -0.44 -0.04 10.20 9.69 2dh3A1 TRP 332 HE3 -0.19 -0.09 0.04 -0.04 7.59 7.32 2dh3A1 TRP 332 HZ2 -0.24 0.05 -0.09 -0.04 7.44 7.11 2dh3A1 TRP 332 HZ3 -0.18 -0.11 -0.06 -0.04 7.13 6.74 2dh3A1 TRP 332 HH2 -0.13 -0.04 -0.00 -0.04 7.19 6.97 2dh3A1 SER 333 H 0.08 0.27 0.19 -0.55 8.46 8.45 2dh3A1 SER 333 HA -0.08 0.18 0.60 -0.75 4.49 4.43 2dh3A1 SER 333 HB2 -0.07 -0.04 0.24 -0.04 3.95 4.04 2dh3A1 SER 333 HB3 -0.12 0.14 -0.04 -0.04 3.93 3.86 2dh3A1 LEU 334 H -0.03 0.19 0.18 -0.55 8.37 8.16 2dh3A1 LEU 334 HA -0.15 0.11 0.88 -0.75 4.35 4.43 2dh3A1 LEU 334 HB2 0.01 0.01 0.04 -0.04 1.64 1.66 2dh3A1 LEU 334 HB3 -0.43 -0.03 0.04 -0.04 1.64 1.19 2dh3A1 LEU 334 HG -0.04 -0.02 -0.04 -0.04 1.64 1.50 2dh3A1 LEU 334 HD13 -0.17 -0.01 -0.15 -0.04 0.93 0.56 2dh3A1 LEU 334 HD23 0.10 0.05 -0.30 -0.04 0.89 0.69 2dh3A1 SER 335 H -0.04 0.21 0.10 -0.55 8.46 8.18 2dh3A1 SER 335 HA -0.06 0.13 0.16 -0.75 4.49 3.97 2dh3A1 SER 335 HB2 0.15 -0.21 0.07 -0.04 3.95 3.93 2dh3A1 SER 335 HB3 0.15 0.23 -0.14 -0.04 3.93 4.13 2dh3A1 GLN 336 H 0.03 0.15 -0.02 -0.55 8.47 8.08 2dh3A1 GLN 336 HA -0.01 0.14 0.38 -0.75 4.36 4.13 2dh3A1 GLN 336 HB2 0.02 -0.00 -0.07 -0.04 2.15 2.06 2dh3A1 GLN 336 HB3 0.02 0.06 -0.05 -0.04 2.02 2.00 2dh3A1 GLN 336 HG2 0.04 0.03 -0.08 -0.04 2.40 2.36 2dh3A1 GLN 336 HG3 0.03 0.04 -0.19 -0.04 2.39 2.23 2dh3A1 GLN 336 HE21 0.05 -0.06 -0.10 -0.04 6.97 6.82 2dh3A1 GLN 336 HE22 0.03 0.09 -0.13 -0.04 7.69 7.64 2dh3A1 ALA 337 H 0.05 -0.13 -0.25 -0.55 8.40 7.52 2dh3A1 ALA 337 HA -0.00 0.23 0.69 -0.75 4.34 4.50 2dh3A1 ALA 337 HB3 0.01 -0.00 -0.18 -0.04 1.41 1.20 2dh3A1 ARG 338 H 0.07 -0.12 0.03 -0.55 8.46 7.89 2dh3A1 ARG 338 HA -0.03 0.17 0.39 -0.75 4.34 4.12 2dh3A1 ARG 338 HB2 0.13 -0.07 0.05 -0.04 1.90 1.96 2dh3A1 ARG 338 HB3 -0.10 0.09 0.02 -0.04 1.80 1.76 2dh3A1 ARG 338 HG2 -0.05 0.09 -0.03 -0.04 1.67 1.64 2dh3A1 ARG 338 HG3 0.00 -0.07 -0.01 -0.04 1.67 1.55 2dh3A1 ARG 338 HD2 -0.21 0.03 -0.02 -0.04 3.22 2.98 2dh3A1 ARG 338 HD3 -0.19 0.02 0.01 -0.04 3.22 3.01 2dh3A1 LEU 339 H -0.08 0.13 0.16 -0.55 8.37 8.03 2dh3A1 LEU 339 HA -0.01 0.12 0.46 -0.75 4.35 4.16 2dh3A1 LEU 339 HB2 -0.10 -0.07 0.09 -0.04 1.64 1.52 2dh3A1 LEU 339 HB3 -0.06 -0.09 0.10 -0.04 1.64 1.55 2dh3A1 LEU 339 HG -0.18 0.05 0.04 -0.04 1.64 1.51 2dh3A1 LEU 339 HD13 -0.15 0.07 -0.07 -0.04 0.93 0.74 2dh3A1 LEU 339 HD23 -0.19 0.06 -0.09 -0.04 0.89 0.64 2dh3A1 LEU 340 H 0.06 0.18 0.17 -0.55 8.37 8.23 2dh3A1 LEU 340 HA 0.18 0.11 0.52 -0.75 4.35 4.41 2dh3A1 LEU 340 HB2 0.08 -0.00 0.14 -0.04 1.64 1.82 2dh3A1 LEU 340 HB3 0.07 0.03 -0.02 -0.04 1.64 1.68 2dh3A1 LEU 340 HG 0.20 -0.04 0.10 -0.04 1.64 1.86 2dh3A1 LEU 340 HD13 0.25 0.03 0.01 -0.04 0.93 1.18 2dh3A1 LEU 340 HD23 0.13 0.01 -0.01 -0.04 0.89 0.98 2dh3A1 THR 341 H -0.02 0.15 -0.10 -0.55 8.28 7.75 2dh3A1 THR 341 HA -0.04 0.17 0.31 -0.75 4.39 4.08 2dh3A1 THR 341 HB -0.07 -0.02 0.02 -0.04 4.32 4.21 2dh3A1 THR 341 HG23 -0.04 0.02 -0.17 -0.04 1.22 0.99 2dh3A1 SER 342 H -0.16 0.14 -0.59 -0.55 8.46 7.31 2dh3A1 SER 342 HA -0.25 0.03 0.48 -0.75 4.49 4.00 2dh3A1 SER 342 HB2 -0.82 0.19 -0.03 -0.04 3.95 3.25 2dh3A1 SER 342 HB3 -0.67 -0.03 0.01 -0.04 3.93 3.19 2dh3A1 PHE 343 H -0.07 0.36 -0.22 -0.55 8.34 7.85 2dh3A1 PHE 343 HA -0.05 0.15 0.80 -0.75 4.62 4.77 2dh3A1 PHE 343 HB2 -0.09 0.06 0.06 -0.04 3.15 3.14 2dh3A1 PHE 343 HB3 -0.07 -0.08 0.00 -0.04 3.06 2.87 2dh3A1 PHE 343 HD2 -0.04 0.03 -0.03 -0.04 7.28 7.21 2dh3A1 PHE 343 HE2 -0.02 -0.03 -0.14 -0.04 7.38 7.15 2dh3A1 PHE 343 HZ -0.01 -0.14 -0.03 -0.04 7.32 7.10 2dh3A1 LEU 344 H 0.02 0.41 0.11 -0.55 8.37 8.36 2dh3A1 LEU 344 HA -0.03 0.12 0.73 -0.75 4.35 4.41 2dh3A1 LEU 344 HB2 -0.06 -0.03 -0.11 -0.04 1.64 1.40 2dh3A1 LEU 344 HB3 -0.09 0.05 -0.07 -0.04 1.64 1.49 2dh3A1 LEU 344 HG -0.15 -0.02 -0.06 -0.04 1.64 1.37 2dh3A1 LEU 344 HD13 -0.42 0.00 -0.12 -0.04 0.93 0.36 2dh3A1 LEU 344 HD23 -0.54 0.02 -0.14 -0.04 0.89 0.18 2dh3A1 PRO 345 HA -0.02 0.15 0.68 -0.51 4.44 4.74 2dh3A1 PRO 345 HB2 -0.03 -0.06 -0.07 -0.04 2.28 2.08 2dh3A1 PRO 345 HB3 -0.01 0.06 0.10 -0.04 2.02 2.13 2dh3A1 PRO 345 HG2 0.02 0.05 0.08 -0.04 2.03 2.15 2dh3A1 PRO 345 HG3 0.01 0.07 0.08 -0.04 2.03 2.15 2dh3A1 PRO 345 HD2 0.01 0.09 0.21 -0.04 3.68 3.94 2dh3A1 PRO 345 HD3 0.01 0.18 0.26 -0.04 3.65 4.05 2dh3A1 ALA 346 H -0.03 0.17 0.14 -0.55 8.40 8.13 2dh3A1 ALA 346 HA -0.02 0.11 0.28 -0.75 4.34 3.96 2dh3A1 ALA 346 HB3 -0.03 0.02 0.12 -0.04 1.41 1.48 2dh3A1 GLN 347 H -0.06 0.07 -0.23 -0.55 8.47 7.70 2dh3A1 GLN 347 HA -0.06 0.13 0.45 -0.75 4.36 4.12 2dh3A1 GLN 347 HB2 -0.26 0.08 0.19 -0.04 2.15 2.11 2dh3A1 GLN 347 HB3 -0.10 0.01 0.07 -0.04 2.02 1.96 2dh3A1 GLN 347 HG2 -0.13 0.03 0.02 -0.04 2.40 2.27 2dh3A1 GLN 347 HG3 -0.09 -0.10 0.02 -0.04 2.39 2.18 2dh3A1 GLN 347 HE21 -0.06 0.03 -0.08 -0.04 6.97 6.83 2dh3A1 GLN 347 HE22 -0.06 -0.08 -0.06 -0.04 7.69 7.45 2dh3A1 LEU 348 H -0.02 0.52 -0.53 -0.55 8.37 7.79 2dh3A1 LEU 348 HA 0.04 0.21 0.74 -0.75 4.35 4.58 2dh3A1 LEU 348 HB2 0.05 0.11 0.05 -0.04 1.64 1.81 2dh3A1 LEU 348 HB3 0.23 -0.05 0.14 -0.04 1.64 1.91 2dh3A1 LEU 348 HG 0.03 0.00 -0.14 -0.04 1.64 1.48 2dh3A1 LEU 348 HD13 0.21 -0.00 0.07 -0.04 0.93 1.16 2dh3A1 LEU 348 HD23 0.23 0.04 0.14 -0.04 0.89 1.26 2dh3A1 LEU 349 H 0.03 0.44 0.13 -0.55 8.37 8.43 2dh3A1 LEU 349 HA 0.11 0.05 0.29 -0.75 4.35 4.04 2dh3A1 LEU 349 HB2 0.04 0.07 0.16 -0.04 1.64 1.87 2dh3A1 LEU 349 HB3 0.07 0.01 0.02 -0.04 1.64 1.70 2dh3A1 LEU 349 HG 0.01 0.10 0.02 -0.04 1.64 1.72 2dh3A1 LEU 349 HD13 0.00 0.00 0.03 -0.04 0.93 0.93 2dh3A1 LEU 349 HD23 0.03 -0.02 -0.15 -0.04 0.89 0.71 2dh3A1 ARG 350 H 0.06 0.13 -0.09 -0.55 8.46 8.01 2dh3A1 ARG 350 HA 0.08 0.12 0.47 -0.75 4.34 4.26 2dh3A1 ARG 350 HB2 0.03 0.00 0.05 -0.04 1.90 1.95 2dh3A1 ARG 350 HB3 0.03 0.04 0.03 -0.04 1.80 1.86 2dh3A1 ARG 350 HG2 0.04 0.03 0.05 -0.04 1.67 1.75 2dh3A1 ARG 350 HG3 0.03 -0.10 0.06 -0.04 1.67 1.62 2dh3A1 ARG 350 HD2 0.02 -0.05 0.01 -0.04 3.22 3.16 2dh3A1 ARG 350 HD3 0.02 0.22 0.12 -0.04 3.22 3.54 2dh3A1 LEU 351 H 0.05 0.11 -0.27 -0.55 8.37 7.71 2dh3A1 LEU 351 HA -0.04 0.05 0.34 -0.75 4.35 3.94 2dh3A1 LEU 351 HB2 -0.05 0.08 0.08 -0.04 1.64 1.71 2dh3A1 LEU 351 HB3 -0.03 0.05 0.06 -0.04 1.64 1.68 2dh3A1 LEU 351 HG -0.53 -0.05 -0.17 -0.04 1.64 0.84 2dh3A1 LEU 351 HD13 -0.19 0.01 -0.16 -0.04 0.93 0.54 2dh3A1 LEU 351 HD23 -0.73 -0.00 -0.15 -0.04 0.89 -0.04 2dh3A1 TYR 352 H 0.31 0.43 -0.13 -0.55 8.29 8.35 2dh3A1 TYR 352 HA 0.11 0.03 0.34 -0.75 4.56 4.29 2dh3A1 TYR 352 HB2 0.10 0.09 0.07 -0.04 3.06 3.28 2dh3A1 TYR 352 HB3 0.12 -0.02 -0.08 -0.04 2.98 2.96 2dh3A1 TYR 352 HD2 0.10 0.11 0.00 -0.04 7.15 7.32 2dh3A1 TYR 352 HE2 0.18 0.01 -0.04 -0.04 6.85 6.96 2dh3A1 GLN 353 H 0.21 0.38 -0.37 -0.55 8.47 8.15 2dh3A1 GLN 353 HA 0.32 0.01 0.43 -0.75 4.36 4.36 2dh3A1 GLN 353 HB2 0.17 0.08 0.18 -0.04 2.15 2.54 2dh3A1 GLN 353 HB3 0.22 0.02 -0.10 -0.04 2.02 2.11 2dh3A1 GLN 353 HG2 0.28 -0.06 -0.01 -0.04 2.40 2.57 2dh3A1 GLN 353 HG3 0.22 0.04 0.03 -0.04 2.39 2.63 2dh3A1 GLN 353 HE21 0.18 0.03 -0.01 -0.04 6.97 7.13 2dh3A1 GLN 353 HE22 0.15 -0.06 0.00 -0.04 7.69 7.74 2dh3A1 LEU 354 H 0.11 0.52 -0.12 -0.55 8.37 8.33 2dh3A1 LEU 354 HA 0.11 0.06 0.38 -0.75 4.35 4.16 2dh3A1 LEU 354 HB2 0.03 -0.03 0.00 -0.04 1.64 1.60 2dh3A1 LEU 354 HB3 0.03 0.11 0.11 -0.04 1.64 1.85 2dh3A1 LEU 354 HG -0.00 0.02 -0.36 -0.04 1.64 1.25 2dh3A1 LEU 354 HD13 -0.00 0.01 -0.14 -0.04 0.93 0.75 2dh3A1 LEU 354 HD23 -0.03 -0.01 -0.23 -0.04 0.89 0.57 2dh3A1 MET 355 H 0.07 0.44 -0.21 -0.55 8.47 8.21 2dh3A1 MET 355 HA 0.12 0.04 0.26 -0.75 4.52 4.18 2dh3A1 MET 355 HB2 0.04 -0.01 -0.00 -0.04 2.15 2.14 2dh3A1 MET 355 HB3 0.01 0.03 0.07 -0.04 2.03 2.10 2dh3A1 MET 355 HG2 -0.11 0.04 -0.34 -0.04 2.63 2.18 2dh3A1 MET 355 HG3 0.15 -0.00 -0.12 -0.04 2.56 2.55 2dh3A1 MET 355 HE3 -0.14 -0.01 -0.09 -0.04 2.10 1.82 2dh3A1 LEU 356 H 0.09 0.59 -0.11 -0.55 8.37 8.39 2dh3A1 LEU 356 HA -0.14 -0.02 0.27 -0.75 4.35 3.71 2dh3A1 LEU 356 HB2 0.11 0.08 0.05 -0.04 1.64 1.84 2dh3A1 LEU 356 HB3 -0.16 -0.01 -0.04 -0.04 1.64 1.39 2dh3A1 LEU 356 HG 0.17 0.21 -0.00 -0.04 1.64 1.98 2dh3A1 LEU 356 HD13 0.03 -0.03 -0.11 -0.04 0.93 0.78 2dh3A1 LEU 356 HD23 0.02 -0.03 -0.18 -0.04 0.89 0.65 2dh3A1 PHE 357 H 0.20 0.34 -0.49 -0.55 8.34 7.84 2dh3A1 PHE 357 HA 0.04 0.10 0.51 -0.75 4.62 4.52 2dh3A1 PHE 357 HB2 -0.01 0.09 0.07 -0.04 3.15 3.26 2dh3A1 PHE 357 HB3 -0.05 -0.00 -0.03 -0.04 3.06 2.94 2dh3A1 PHE 357 HD2 -0.04 0.12 -0.04 -0.04 7.28 7.28 2dh3A1 PHE 357 HE2 -0.61 -0.05 -0.03 -0.04 7.38 6.65 2dh3A1 PHE 357 HZ -0.85 -0.04 -0.05 -0.04 7.32 6.34 2dh3A1 THR 358 H 0.08 0.34 -0.37 -0.55 8.28 7.78 2dh3A1 THR 358 HA 0.07 0.25 0.89 -0.75 4.39 4.85 2dh3A1 THR 358 HB 0.20 -0.09 0.01 -0.04 4.32 4.39 2dh3A1 THR 358 HG23 0.02 -0.02 -0.22 -0.04 1.22 0.97 2dh3A1 LEU 359 H -0.13 0.22 -0.11 -0.55 8.37 7.80 2dh3A1 LEU 359 HA -0.43 0.04 0.56 -0.75 4.35 3.77 2dh3A1 LEU 359 HB2 -0.73 0.03 -0.08 -0.04 1.64 0.82 2dh3A1 LEU 359 HB3 -1.11 0.01 -0.18 -0.04 1.64 0.32 2dh3A1 LEU 359 HG -0.41 0.10 -0.15 -0.04 1.64 1.13 2dh3A1 LEU 359 HD13 -1.14 -0.05 -0.19 -0.04 0.93 -0.49 2dh3A1 LEU 359 HD23 -0.81 -0.01 -0.12 -0.04 0.89 -0.09 2dh3A1 PRO 360 HA -0.12 0.19 0.27 -0.51 4.44 4.27 2dh3A1 PRO 360 HB2 -0.11 0.01 -0.03 -0.04 2.28 2.10 2dh3A1 PRO 360 HB3 -0.02 0.02 -0.09 -0.04 2.02 1.89 2dh3A1 PRO 360 HG2 -0.16 -0.03 0.04 -0.04 2.03 1.84 2dh3A1 PRO 360 HG3 -0.53 -0.02 -0.02 -0.04 2.03 1.42 2dh3A1 PRO 360 HD2 -0.73 -0.03 0.06 -0.04 3.68 2.94 2dh3A1 PRO 360 HD3 -0.65 0.14 0.08 -0.04 3.65 3.19 2dh3A1 GLY 361 H -0.47 0.38 0.17 -0.55 8.43 7.96 2dh3A1 GLY 361 HA2 -2.75 -0.10 0.32 -0.51 4.01 0.98 2dh3A1 GLY 361 HA3 -0.91 0.12 0.70 -0.51 4.01 3.40 2dh3A1 THR 362 H -0.55 0.37 0.29 -0.55 8.28 7.84 2dh3A1 THR 362 HA 0.04 0.35 0.74 -0.75 4.39 4.76 2dh3A1 THR 362 HB 0.04 -0.22 0.11 -0.04 4.32 4.21 2dh3A1 THR 362 HG23 0.13 0.04 -0.04 -0.04 1.22 1.31 2dh3A1 PRO 363 HA -0.19 0.15 0.84 -0.51 4.44 4.73 2dh3A1 PRO 363 HB2 -0.67 -0.14 -0.11 -0.04 2.28 1.33 2dh3A1 PRO 363 HB3 -0.27 0.32 -0.01 -0.04 2.02 2.02 2dh3A1 PRO 363 HG2 -0.14 -0.19 0.08 -0.04 2.03 1.74 2dh3A1 PRO 363 HG3 -0.23 0.16 0.01 -0.04 2.03 1.93 2dh3A1 PRO 363 HD2 0.04 0.14 0.14 -0.04 3.68 3.96 2dh3A1 PRO 363 HD3 -0.01 0.48 0.24 -0.04 3.65 4.32 2dh3A1 VAL 364 H -0.41 0.49 0.29 -0.55 8.24 8.07 2dh3A1 VAL 364 HA -0.14 0.24 1.06 -0.75 4.13 4.53 2dh3A1 VAL 364 HB -0.14 -0.08 0.03 -0.04 2.12 1.88 2dh3A1 VAL 364 HG13 -0.03 -0.02 -0.22 -0.04 0.97 0.65 2dh3A1 VAL 364 HG23 -0.09 0.03 -0.27 -0.04 0.95 0.57 2dh3A1 PHE 365 H 0.12 0.77 0.35 -0.55 8.34 9.03 2dh3A1 PHE 365 HA 0.04 0.11 0.97 -0.75 4.62 4.98 2dh3A1 PHE 365 HB2 0.21 0.01 0.01 -0.04 3.15 3.35 2dh3A1 PHE 365 HB3 0.11 -0.08 0.10 -0.04 3.06 3.15 2dh3A1 PHE 365 HD2 0.19 -0.01 -0.06 -0.04 7.28 7.35 2dh3A1 PHE 365 HE2 -0.28 0.04 -0.12 -0.04 7.38 6.98 2dh3A1 PHE 365 HZ -0.74 0.11 -0.14 -0.04 7.32 6.51 2dh3A1 SER 366 H 0.10 0.07 0.17 -0.55 8.46 8.26 2dh3A1 SER 366 HA -0.11 0.16 0.94 -0.75 4.49 4.73 2dh3A1 SER 366 HB2 -0.10 -0.17 0.00 -0.04 3.95 3.64 2dh3A1 SER 366 HB3 -0.22 0.07 0.09 -0.04 3.93 3.83 2dh3A1 TYR 367 H -0.16 0.60 0.31 -0.55 8.29 8.48 2dh3A1 TYR 367 HA -0.52 -0.02 0.45 -0.75 4.56 3.72 2dh3A1 TYR 367 HB2 0.14 -0.01 0.06 -0.04 3.06 3.21 2dh3A1 TYR 367 HB3 -0.45 0.11 0.13 -0.04 2.98 2.74 2dh3A1 TYR 367 HD2 -0.02 0.04 0.03 -0.04 7.15 7.15 2dh3A1 TYR 367 HE2 0.02 -0.03 -0.05 -0.04 6.85 6.75 2dh3A1 GLY 368 H 0.11 0.11 0.19 -0.55 8.43 8.30 2dh3A1 GLY 368 HA2 -0.04 0.02 0.36 -0.51 4.01 3.85 2dh3A1 GLY 368 HA3 -0.12 0.29 0.74 -0.51 4.01 4.40 2dh3A1 ASP 369 H -0.06 0.57 -0.07 -0.55 8.40 8.30 2dh3A1 ASP 369 HA -0.02 0.01 0.54 -0.75 4.63 4.40 2dh3A1 ASP 369 HB2 0.07 0.14 0.14 -0.04 2.71 3.03 2dh3A1 ASP 369 HB3 0.12 0.07 0.08 -0.04 2.70 2.93 2dh3A1 GLU 370 H -0.20 0.01 -0.21 -0.55 8.60 7.65 2dh3A1 GLU 370 HA -0.52 0.19 0.40 -0.75 4.29 3.60 2dh3A1 GLU 370 HB2 -0.84 0.12 0.05 -0.04 2.09 1.38 2dh3A1 GLU 370 HB3 -1.11 0.03 0.04 -0.04 1.99 0.91 2dh3A1 GLU 370 HG2 -0.11 0.00 -0.23 -0.04 2.34 1.96 2dh3A1 GLU 370 HG3 -0.10 0.10 -0.09 -0.04 2.34 2.21 2dh3A1 ILE 371 H -0.10 0.14 -0.39 -0.55 8.25 7.35 2dh3A1 ILE 371 HA -0.04 0.14 0.80 -0.75 4.18 4.33 2dh3A1 ILE 371 HB -0.05 0.10 -0.00 -0.04 1.89 1.90 2dh3A1 ILE 371 HG12 -0.09 -0.14 0.03 -0.04 1.49 1.25 2dh3A1 ILE 371 HG13 -0.08 0.03 -0.21 -0.04 1.21 0.92 2dh3A1 ILE 371 HG23 -0.05 -0.03 -0.20 -0.04 0.93 0.60 2dh3A1 ILE 371 HD13 -0.15 0.05 0.05 -0.04 0.88 0.79 2dh3A1 GLY 372 H -0.04 0.18 -0.22 -0.55 8.43 7.80 2dh3A1 GLY 372 HA2 -0.01 -0.03 0.30 -0.51 4.01 3.76 2dh3A1 GLY 372 HA3 -0.02 0.05 0.48 -0.51 4.01 4.01 2dh3A1 LEU 373 H -0.07 0.51 0.03 -0.55 8.37 8.30 2dh3A1 LEU 373 HA -0.08 0.10 0.24 -0.75 4.35 3.85 2dh3A1 LEU 373 HB2 -0.09 -0.04 0.12 -0.04 1.64 1.59 2dh3A1 LEU 373 HB3 -0.11 -0.11 0.02 -0.04 1.64 1.40 2dh3A1 LEU 373 HG -0.10 -0.01 -0.34 -0.04 1.64 1.15 2dh3A1 LEU 373 HD13 -0.09 0.01 -0.02 -0.04 0.93 0.80 2dh3A1 LEU 373 HD23 -0.08 0.02 -0.19 -0.04 0.89 0.59 2dh3A1 ASP 374 H -0.08 0.25 0.13 -0.55 8.40 8.15 2dh3A1 ASP 374 HA -0.08 -0.02 0.84 -0.75 4.63 4.63 2dh3A1 ASP 374 HB2 -0.06 0.07 -0.01 -0.04 2.71 2.67 2dh3A1 ASP 374 HB3 -0.08 0.13 0.11 -0.04 2.70 2.82 2dh3A1 ALA 375 H -0.09 0.04 0.07 -0.55 8.40 7.88 2dh3A1 ALA 375 HA -0.06 0.11 0.36 -0.75 4.34 3.99 2dh3A1 ALA 375 HB3 -0.07 -0.00 -0.01 -0.04 1.41 1.29 2dh3A1 ALA 376 H -0.07 0.00 -0.05 -0.55 8.40 7.74 2dh3A1 ALA 376 HA -0.05 0.06 0.55 -0.75 4.34 4.15 2dh3A1 ALA 376 HB3 -0.05 0.00 0.02 -0.04 1.41 1.34 2dh3A1 ALA 377 H -0.06 0.07 0.01 -0.55 8.40 7.88 2dh3A1 ALA 377 HA -0.07 -0.03 0.30 -0.75 4.34 3.78 2dh3A1 ALA 377 HB3 -0.08 0.09 0.19 -0.04 1.41 1.56 2dh3A1 LEU 378 H -0.10 0.19 -0.58 -0.55 8.37 7.34 2dh3A1 LEU 378 HA -0.34 0.14 0.56 -0.75 4.35 3.95 2dh3A1 LEU 378 HB2 -0.12 0.17 0.11 -0.04 1.64 1.76 2dh3A1 LEU 378 HB3 -0.28 -0.06 0.02 -0.04 1.64 1.29 2dh3A1 LEU 378 HG -0.23 0.02 -0.52 -0.04 1.64 0.87 2dh3A1 LEU 378 HD13 -0.12 -0.01 -0.07 -0.04 0.93 0.69 2dh3A1 LEU 378 HD23 -0.80 -0.01 -0.02 -0.04 0.89 0.02 2dh3A1 PRO 379 HA 0.00 -0.12 0.30 -0.51 4.44 4.12 2dh3A1 PRO 379 HB2 0.07 0.05 0.03 -0.04 2.28 2.39 2dh3A1 PRO 379 HB3 0.02 -0.01 0.03 -0.04 2.02 2.03 2dh3A1 PRO 379 HG2 0.02 0.04 0.00 -0.04 2.03 2.05 2dh3A1 PRO 379 HG3 -0.01 -0.02 0.00 -0.04 2.03 1.96 2dh3A1 PRO 379 HD2 -0.06 0.14 0.00 -0.04 3.68 3.72 2dh3A1 PRO 379 HD3 -0.09 0.15 -0.41 -0.04 3.65 3.26 2dh3A1 GLY 380 H 0.02 0.02 0.16 -0.55 8.43 8.07 2dh3A1 GLY 380 HA2 0.02 -0.06 0.35 -0.51 4.01 3.81 2dh3A1 GLY 380 HA3 0.04 0.04 0.40 -0.51 4.01 3.98 2dh3A1 GLN 381 H 0.02 0.14 0.10 -0.55 8.47 8.19 2dh3A1 GLN 381 HA 0.05 0.12 0.66 -0.75 4.36 4.44 2dh3A1 GLN 381 HB2 0.11 0.14 -0.35 -0.04 2.15 2.02 2dh3A1 GLN 381 HB3 0.03 0.09 -0.03 -0.04 2.02 2.07 2dh3A1 GLN 381 HG2 0.06 0.01 0.01 -0.04 2.40 2.44 2dh3A1 GLN 381 HG3 0.09 -0.01 0.15 -0.04 2.39 2.58 2dh3A1 GLN 381 HE21 0.36 -0.01 0.05 -0.04 6.97 7.33 2dh3A1 GLN 381 HE22 0.15 0.02 0.08 -0.04 7.69 7.90 2dh3A1 PRO 382 HA -0.00 0.05 0.34 -0.51 4.44 4.32 2dh3A1 PRO 382 HB2 0.01 -0.33 -0.06 -0.04 2.28 1.87 2dh3A1 PRO 382 HB3 0.01 0.05 0.07 -0.04 2.02 2.11 2dh3A1 PRO 382 HG2 0.04 0.09 0.04 -0.04 2.03 2.16 2dh3A1 PRO 382 HG3 0.02 0.06 0.04 -0.04 2.03 2.12 2dh3A1 PRO 382 HD2 0.05 0.23 0.03 -0.04 3.68 3.94 2dh3A1 PRO 382 HD3 0.04 0.17 0.19 -0.04 3.65 4.02 2dh3A1 MET 383 H -0.02 0.13 0.15 -0.55 8.47 8.18 2dh3A1 MET 383 HA -0.06 0.12 0.49 -0.75 4.52 4.31 2dh3A1 MET 383 HB2 -0.05 -0.02 0.05 -0.04 2.15 2.08 2dh3A1 MET 383 HB3 -0.08 -0.00 0.08 -0.04 2.03 1.98 2dh3A1 MET 383 HG2 -0.07 0.01 0.03 -0.04 2.63 2.55 2dh3A1 MET 383 HG3 -0.05 0.06 0.02 -0.04 2.56 2.55 2dh3A1 MET 383 HE3 -0.02 0.01 0.05 -0.04 2.10 2.09 2dh3A1 GLU 384 H -0.02 -0.04 -0.22 -0.55 8.60 7.78 2dh3A1 GLU 384 HA -0.03 0.08 0.49 -0.75 4.29 4.08 2dh3A1 GLU 384 HB2 -0.00 -0.03 0.03 -0.04 2.09 2.04 2dh3A1 GLU 384 HB3 0.01 -0.06 0.05 -0.04 1.99 1.95 2dh3A1 GLU 384 HG2 0.04 0.03 -0.32 -0.04 2.34 2.05 2dh3A1 GLU 384 HG3 0.01 -0.02 -0.07 -0.04 2.34 2.23 2dh3A1 ALA 385 H 0.02 -0.01 -0.27 -0.55 8.40 7.60 2dh3A1 ALA 385 HA 0.13 0.24 0.77 -0.75 4.34 4.73 2dh3A1 ALA 385 HB3 0.10 -0.03 0.01 -0.04 1.41 1.45 2dh3A1 PRO 386 HA 0.06 0.04 0.63 -0.51 4.44 4.67 2dh3A1 PRO 386 HB2 -0.02 0.10 -0.20 -0.04 2.28 2.13 2dh3A1 PRO 386 HB3 -0.02 0.06 -0.03 -0.04 2.02 1.99 2dh3A1 PRO 386 HG2 -0.13 0.01 -0.13 -0.04 2.03 1.74 2dh3A1 PRO 386 HG3 -0.10 -0.06 -0.13 -0.04 2.03 1.70 2dh3A1 PRO 386 HD2 -0.09 0.19 -0.18 -0.04 3.68 3.56 2dh3A1 PRO 386 HD3 -0.04 0.06 -0.70 -0.04 3.65 2.92 2dh3A1 VAL 387 H 0.11 0.10 0.10 -0.55 8.24 8.00 2dh3A1 VAL 387 HA 0.11 0.07 0.43 -0.75 4.13 3.98 2dh3A1 VAL 387 HB 0.21 -0.05 0.09 -0.04 2.12 2.33 2dh3A1 VAL 387 HG13 0.07 0.06 -0.12 -0.04 0.97 0.94 2dh3A1 VAL 387 HG23 0.08 -0.02 0.10 -0.04 0.95 1.07 2dh3A1 MET 388 H 0.05 0.69 0.24 -0.55 8.47 8.91 2dh3A1 MET 388 HA -0.07 0.01 0.49 -0.75 4.52 4.19 2dh3A1 MET 388 HB2 -0.00 -0.05 0.10 -0.04 2.15 2.16 2dh3A1 MET 388 HB3 -0.32 0.14 0.09 -0.04 2.03 1.90 2dh3A1 MET 388 HG2 -1.21 0.10 0.00 -0.04 2.63 1.48 2dh3A1 MET 388 HG3 -1.46 -0.10 -0.27 -0.04 2.56 0.69 2dh3A1 MET 388 HE3 -0.42 -0.01 -0.04 -0.04 2.10 1.59 2dh3A1 LEU 389 H -0.32 0.14 0.08 -0.55 8.37 7.73 2dh3A1 LEU 389 HA -0.09 0.12 0.70 -0.75 4.35 4.32 2dh3A1 LEU 389 HB2 -0.13 0.08 0.20 -0.04 1.64 1.75 2dh3A1 LEU 389 HB3 -0.06 -0.05 -0.07 -0.04 1.64 1.42 2dh3A1 LEU 389 HG -0.09 0.09 -0.09 -0.04 1.64 1.51 2dh3A1 LEU 389 HD13 -0.09 0.01 -0.04 -0.04 0.93 0.76 2dh3A1 LEU 389 HD23 -0.00 0.01 -0.25 -0.04 0.89 0.62 2dh3A1 TRP 390 H 0.03 0.26 0.12 -0.55 7.97 7.83 2dh3A1 TRP 390 HA -0.11 0.07 0.66 -0.75 4.62 4.49 2dh3A1 TRP 390 HB2 -0.08 -0.04 0.09 -0.04 3.23 3.16 2dh3A1 TRP 390 HB3 -0.12 0.01 0.03 -0.04 3.23 3.11 2dh3A1 TRP 390 HD1 -0.12 0.03 -0.02 -0.04 7.22 7.06 2dh3A1 TRP 390 HE1 -0.35 0.09 0.03 -0.04 10.20 9.93 2dh3A1 TRP 390 HE3 -0.35 -0.07 0.01 -0.04 7.59 7.14 2dh3A1 TRP 390 HZ2 -1.32 0.14 0.03 -0.04 7.44 6.24 2dh3A1 TRP 390 HZ3 -1.42 0.01 -0.03 -0.04 7.13 5.65 2dh3A1 TRP 390 HH2 -0.40 0.00 -0.03 -0.04 7.19 6.72 2dh3A1 ASP 391 H 0.17 0.17 0.11 -0.55 8.40 8.32 2dh3A1 ASP 391 HA 0.07 0.10 0.40 -0.75 4.63 4.45 2dh3A1 ASP 391 HB2 0.06 -0.10 0.19 -0.04 2.71 2.82 2dh3A1 ASP 391 HB3 0.08 0.18 0.03 -0.04 2.70 2.94 2dh3A1 GLU 392 H 0.05 0.18 0.09 -0.55 8.60 8.37 2dh3A1 GLU 392 HA 0.06 0.16 0.31 -0.75 4.29 4.07 2dh3A1 GLU 392 HB2 0.04 -0.06 0.10 -0.04 2.09 2.13 2dh3A1 GLU 392 HB3 0.04 0.08 -0.10 -0.04 1.99 1.97 2dh3A1 GLU 392 HG2 0.03 0.02 -0.01 -0.04 2.34 2.33 2dh3A1 GLU 392 HG3 0.04 0.17 -0.03 -0.04 2.34 2.48 2dh3A1 SER 393 H 0.07 0.01 -0.25 -0.55 8.46 7.74 2dh3A1 SER 393 HA 0.05 0.22 0.42 -0.75 4.49 4.44 2dh3A1 SER 393 HB2 0.02 0.05 0.05 -0.04 3.95 4.03 2dh3A1 SER 393 HB3 0.03 -0.01 0.00 -0.04 3.93 3.91 2dh3A1 SER 394 H 0.14 0.19 -0.45 -0.55 8.46 7.79 2dh3A1 SER 394 HA 0.25 0.06 0.44 -0.75 4.49 4.48 2dh3A1 SER 394 HB2 0.13 0.12 0.09 -0.04 3.95 4.26 2dh3A1 SER 394 HB3 0.15 0.29 0.12 -0.04 3.93 4.44 2dh3A1 PHE 395 H 0.22 0.22 -0.34 -0.55 8.34 7.89 2dh3A1 PHE 395 HA 0.10 0.16 0.82 -0.75 4.62 4.94 2dh3A1 PHE 395 HB2 0.03 -0.00 -0.09 -0.04 3.15 3.04 2dh3A1 PHE 395 HB3 0.03 0.05 0.14 -0.04 3.06 3.23 2dh3A1 PHE 395 HD2 0.02 0.14 -0.06 -0.04 7.28 7.34 2dh3A1 PHE 395 HE2 0.01 -0.01 -0.02 -0.04 7.38 7.32 2dh3A1 PHE 395 HZ 0.01 0.14 -0.11 -0.04 7.32 7.32 2dh3A1 PRO 396 HA -0.00 0.16 0.61 -0.51 4.44 4.69 2dh3A1 PRO 396 HB2 -0.10 0.00 -0.06 -0.04 2.28 2.08 2dh3A1 PRO 396 HB3 -0.08 0.04 0.03 -0.04 2.02 1.96 2dh3A1 PRO 396 HG2 -0.13 -0.02 0.05 -0.04 2.03 1.89 2dh3A1 PRO 396 HG3 -0.21 0.04 0.02 -0.04 2.03 1.84 2dh3A1 PRO 396 HD2 -0.15 0.05 0.15 -0.04 3.68 3.68 2dh3A1 PRO 396 HD3 0.20 0.30 -0.29 -0.04 3.65 3.82 2dh3A1 ASP 397 H -0.46 0.13 -0.06 -0.55 8.40 7.46 2dh3A1 ASP 397 HA -0.14 0.01 0.25 -0.75 4.63 3.99 2dh3A1 ASP 397 HB2 -0.82 -0.02 0.06 -0.04 2.71 1.89 2dh3A1 ASP 397 HB3 -0.17 0.03 -0.02 -0.04 2.70 2.50 2dh3A1 ILE 398 H 0.06 0.14 -0.29 -0.55 8.25 7.61 2dh3A1 ILE 398 HA 0.08 0.19 0.87 -0.75 4.18 4.58 2dh3A1 ILE 398 HB 0.35 -0.01 0.09 -0.04 1.89 2.28 2dh3A1 ILE 398 HG12 0.11 0.05 -0.13 -0.04 1.49 1.48 2dh3A1 ILE 398 HG13 0.24 -0.10 -0.25 -0.04 1.21 1.05 2dh3A1 ILE 398 HG23 0.08 -0.03 -0.04 -0.04 0.93 0.90 2dh3A1 ILE 398 HD13 0.19 0.01 -0.04 -0.04 0.88 1.00 2dh3A1 PRO 399 HA 0.09 0.21 0.23 -0.51 4.44 4.46 2dh3A1 PRO 399 HB2 0.03 0.00 0.08 -0.04 2.28 2.36 2dh3A1 PRO 399 HB3 0.03 0.06 0.11 -0.04 2.02 2.18 2dh3A1 PRO 399 HG2 0.03 -0.10 0.15 -0.04 2.03 2.07 2dh3A1 PRO 399 HG3 0.02 0.05 0.11 -0.04 2.03 2.17 2dh3A1 PRO 399 HD2 0.05 0.04 0.19 -0.04 3.68 3.91 2dh3A1 PRO 399 HD3 0.03 0.31 0.13 -0.04 3.65 4.08 2dh3A1 GLY 400 H 0.04 0.09 0.05 -0.55 8.43 8.06 2dh3A1 GLY 400 HA2 0.03 0.10 0.26 -0.51 4.01 3.89 2dh3A1 GLY 400 HA3 0.02 -0.03 0.30 -0.51 4.01 3.79 2dh3A1 ALA 401 H 0.05 0.15 -0.51 -0.55 8.40 7.55 2dh3A1 ALA 401 HA -0.02 -0.02 0.32 -0.75 4.34 3.86 2dh3A1 ALA 401 HB3 -0.06 0.03 0.05 -0.04 1.41 1.39 2dh3A1 VAL 402 H 0.02 0.31 -0.11 -0.55 8.24 7.91 2dh3A1 VAL 402 HA -0.06 0.09 0.80 -0.75 4.13 4.20 2dh3A1 VAL 402 HB 0.05 0.13 0.13 -0.04 2.12 2.39 2dh3A1 VAL 402 HG13 0.01 -0.04 -0.18 -0.04 0.97 0.71 2dh3A1 VAL 402 HG23 -0.11 -0.01 -0.04 -0.04 0.95 0.75 2dh3A1 SER 403 H -0.02 0.15 0.16 -0.55 8.46 8.20 2dh3A1 SER 403 HA 0.00 0.23 0.76 -0.75 4.49 4.73 2dh3A1 SER 403 HB2 -0.00 -0.11 0.16 -0.04 3.95 3.96 2dh3A1 SER 403 HB3 -0.01 0.20 -0.06 -0.04 3.93 4.01 2dh3A1 ALA 404 H 0.00 0.20 0.15 -0.55 8.40 8.21 2dh3A1 ALA 404 HA 0.01 0.05 0.30 -0.75 4.34 3.95 2dh3A1 ALA 404 HB3 0.01 0.03 0.10 -0.04 1.41 1.51 2dh3A1 ASN 405 H -0.00 0.09 -0.08 -0.55 8.53 7.99 2dh3A1 ASN 405 HA 0.00 0.13 0.46 -0.75 4.76 4.60 2dh3A1 ASN 405 HB2 -0.00 0.06 0.11 -0.04 2.88 3.00 2dh3A1 ASN 405 HB3 -0.00 -0.01 0.07 -0.04 2.79 2.80 2dh3A1 ASN 405 HD21 -0.01 0.02 -0.03 -0.04 7.03 6.98 2dh3A1 ASN 405 HD22 -0.00 0.02 -0.00 -0.04 7.74 7.71 2dh3A1 MET 406 H -0.02 0.13 -0.50 -0.55 8.47 7.55 2dh3A1 MET 406 HA -0.03 0.21 0.74 -0.75 4.52 4.69 2dh3A1 MET 406 HB2 -0.04 0.04 0.07 -0.04 2.15 2.18 2dh3A1 MET 406 HB3 -0.06 0.03 0.11 -0.04 2.03 2.07 2dh3A1 MET 406 HG2 -0.04 0.07 0.02 -0.04 2.63 2.63 2dh3A1 MET 406 HG3 -0.03 -0.15 -0.06 -0.04 2.56 2.28 2dh3A1 MET 406 HE3 -0.10 0.03 0.03 -0.04 2.10 2.02 2dh3A1 THR 407 H -0.01 0.27 -0.28 -0.55 8.28 7.71 2dh3A1 THR 407 HA -0.06 0.33 0.71 -0.75 4.39 4.62 2dh3A1 THR 407 HB 0.02 0.02 -0.39 -0.04 4.32 3.92 2dh3A1 THR 407 HG23 0.01 0.01 -0.32 -0.04 1.22 0.88 2dh3A1 VAL 408 H -0.06 0.52 0.32 -0.55 8.24 8.47 2dh3A1 VAL 408 HA 0.01 0.08 0.52 -0.75 4.13 3.99 2dh3A1 VAL 408 HB 0.09 -0.00 0.29 -0.04 2.12 2.46 2dh3A1 VAL 408 HG13 0.13 0.01 -0.12 -0.04 0.97 0.95 2dh3A1 VAL 408 HG23 -0.29 0.05 0.04 -0.04 0.95 0.71 2dh3A1 LYS 409 H 0.07 0.57 0.16 -0.55 8.42 8.67 2dh3A1 LYS 409 HA 0.06 0.08 0.40 -0.75 4.32 4.11 2dh3A1 LYS 409 HB2 0.07 0.10 0.21 -0.04 1.87 2.21 2dh3A1 LYS 409 HB3 0.05 -0.13 0.23 -0.04 1.79 1.90 2dh3A1 LYS 409 HG2 0.03 -0.04 -0.12 -0.04 1.46 1.29 2dh3A1 LYS 409 HG3 0.04 0.04 0.01 -0.04 1.46 1.51 2dh3A1 LYS 409 HD2 0.03 0.04 0.01 -0.04 1.69 1.74 2dh3A1 LYS 409 HD3 0.04 -0.12 0.04 -0.04 1.68 1.60 2dh3A1 LYS 409 HE2 0.02 0.04 -0.02 -0.04 2.99 3.00 2dh3A1 LYS 409 HE3 0.02 0.01 -0.01 -0.04 2.99 2.97 2dh3A1 GLY 410 H 0.03 0.08 -0.19 -0.55 8.43 7.80 2dh3A1 GLY 410 HA2 0.02 0.01 0.43 -0.51 4.01 3.96 2dh3A1 GLY 410 HA3 0.02 0.24 0.27 -0.51 4.01 4.02 2dh3A1 GLN 411 H 0.02 0.49 -0.18 -0.55 8.47 8.25 2dh3A1 GLN 411 HA 0.02 -0.01 0.63 -0.75 4.36 4.24 2dh3A1 GLN 411 HB2 0.02 0.15 0.15 -0.04 2.15 2.42 2dh3A1 GLN 411 HB3 0.02 -0.20 0.14 -0.04 2.02 1.93 2dh3A1 GLN 411 HG2 0.01 -0.13 0.13 -0.04 2.40 2.36 2dh3A1 GLN 411 HG3 -0.00 0.08 0.01 -0.04 2.39 2.44 2dh3A1 GLN 411 HE21 -0.03 0.21 0.10 -0.04 6.97 7.22 2dh3A1 GLN 411 HE22 -0.02 0.60 0.19 -0.04 7.69 8.42 2dh3A1 SER 412 H 0.04 0.39 -0.33 -0.55 8.46 8.02 2dh3A1 SER 412 HA 0.05 0.07 0.49 -0.75 4.49 4.35 2dh3A1 SER 412 HB2 0.06 0.11 0.10 -0.04 3.95 4.17 2dh3A1 SER 412 HB3 0.06 -0.05 0.03 -0.04 3.93 3.93 2dh3A1 GLU 413 H 0.03 0.19 -0.38 -0.55 8.60 7.89 2dh3A1 GLU 413 HA 0.02 0.10 0.60 -0.75 4.29 4.25 2dh3A1 GLU 413 HB2 0.02 0.04 0.18 -0.04 2.09 2.28 2dh3A1 GLU 413 HB3 0.02 -0.06 0.03 -0.04 1.99 1.93 2dh3A1 GLU 413 HG2 0.03 0.19 0.10 -0.04 2.34 2.61 2dh3A1 GLU 413 HG3 0.02 -0.10 0.04 -0.04 2.34 2.27 2dh3A1 ASP 414 H 0.02 0.23 0.04 -0.55 8.40 8.14 2dh3A1 ASP 414 HA 0.01 0.07 0.43 -0.75 4.63 4.39 2dh3A1 ASP 414 HB2 0.01 0.01 0.14 -0.04 2.71 2.84 2dh3A1 ASP 414 HB3 0.01 0.02 0.21 -0.04 2.70 2.90 2dh3A1 PRO 415 HA 0.02 0.17 0.58 -0.51 4.44 4.70 2dh3A1 PRO 415 HB2 0.01 -0.02 0.01 -0.04 2.28 2.24 2dh3A1 PRO 415 HB3 0.01 0.06 0.13 -0.04 2.02 2.18 2dh3A1 PRO 415 HG2 0.01 -0.02 0.11 -0.04 2.03 2.09 2dh3A1 PRO 415 HG3 0.01 0.13 0.13 -0.04 2.03 2.27 2dh3A1 PRO 415 HD2 0.01 -0.04 0.25 -0.04 3.68 3.86 2dh3A1 PRO 415 HD3 0.01 0.29 0.34 -0.04 3.65 4.25 2dh3A1 GLY 416 H 0.01 0.04 -0.18 -0.55 8.43 7.75 2dh3A1 GLY 416 HA2 0.01 0.15 0.49 -0.51 4.01 4.15 2dh3A1 GLY 416 HA3 0.01 -0.05 0.30 -0.51 4.01 3.76 2dh3A1 SER 417 H 0.02 0.30 -0.51 -0.55 8.46 7.73 2dh3A1 SER 417 HA 0.01 0.06 0.28 -0.75 4.49 4.09 2dh3A1 SER 417 HB2 0.01 -0.11 0.25 -0.04 3.95 4.07 2dh3A1 SER 417 HB3 0.02 0.01 0.18 -0.04 3.93 4.10 2dh3A1 LEU 418 H 0.02 0.16 0.20 -0.55 8.37 8.20 2dh3A1 LEU 418 HA 0.04 0.12 0.60 -0.75 4.35 4.36 2dh3A1 LEU 418 HB2 0.02 -0.00 0.09 -0.04 1.64 1.71 2dh3A1 LEU 418 HB3 0.01 0.04 0.01 -0.04 1.64 1.67 2dh3A1 LEU 418 HG 0.06 0.11 -0.17 -0.04 1.64 1.60 2dh3A1 LEU 418 HD13 0.07 -0.01 -0.02 -0.04 0.93 0.93 2dh3A1 LEU 418 HD23 0.02 -0.02 -0.20 -0.04 0.89 0.65 2dh3A1 LEU 419 H 0.02 0.03 0.04 -0.55 8.37 7.91 2dh3A1 LEU 419 HA 0.03 0.22 0.56 -0.75 4.35 4.40 2dh3A1 LEU 419 HB2 0.01 -0.02 0.04 -0.04 1.64 1.62 2dh3A1 LEU 419 HB3 0.03 0.04 -0.02 -0.04 1.64 1.65 2dh3A1 LEU 419 HG 0.06 0.07 -0.28 -0.04 1.64 1.45 2dh3A1 LEU 419 HD13 0.02 -0.02 -0.04 -0.04 0.93 0.84 2dh3A1 LEU 419 HD23 0.09 -0.02 -0.18 -0.04 0.89 0.74 2dh3A1 SER 420 H 0.04 0.05 -0.40 -0.55 8.46 7.60 2dh3A1 SER 420 HA 0.04 0.07 0.47 -0.75 4.49 4.32 2dh3A1 SER 420 HB2 0.02 0.06 -0.02 -0.04 3.95 3.97 2dh3A1 SER 420 HB3 0.02 0.04 0.01 -0.04 3.93 3.96 2dh3A1 LEU 421 H 0.04 0.34 -0.21 -0.55 8.37 8.00 2dh3A1 LEU 421 HA -0.01 0.04 0.44 -0.75 4.35 4.07 2dh3A1 LEU 421 HB2 0.03 0.11 0.14 -0.04 1.64 1.87 2dh3A1 LEU 421 HB3 0.06 0.09 0.18 -0.04 1.64 1.93 2dh3A1 LEU 421 HG 0.01 -0.01 -0.18 -0.04 1.64 1.42 2dh3A1 LEU 421 HD13 -0.00 0.00 -0.05 -0.04 0.93 0.84 2dh3A1 LEU 421 HD23 0.05 0.01 0.03 -0.04 0.89 0.94 2dh3A1 PHE 422 H 0.17 0.53 -0.14 -0.55 8.34 8.34 2dh3A1 PHE 422 HA -0.11 -0.00 0.29 -0.75 4.62 4.04 2dh3A1 PHE 422 HB2 -0.03 0.08 0.16 -0.04 3.15 3.32 2dh3A1 PHE 422 HB3 -0.04 0.11 0.18 -0.04 3.06 3.27 2dh3A1 PHE 422 HD2 -0.08 0.06 -0.18 -0.04 7.28 7.03 2dh3A1 PHE 422 HE2 -0.60 0.03 -0.09 -0.04 7.38 6.69 2dh3A1 PHE 422 HZ -0.06 -0.01 -0.10 -0.04 7.32 7.11 2dh3A1 ARG 423 H 0.13 0.47 -0.16 -0.55 8.46 8.35 2dh3A1 ARG 423 HA 0.05 0.08 0.41 -0.75 4.34 4.13 2dh3A1 ARG 423 HB2 0.04 0.05 0.16 -0.04 1.90 2.11 2dh3A1 ARG 423 HB3 0.01 -0.02 0.00 -0.04 1.80 1.76 2dh3A1 ARG 423 HG2 0.06 0.14 0.11 -0.04 1.67 1.94 2dh3A1 ARG 423 HG3 0.09 0.04 0.08 -0.04 1.67 1.83 2dh3A1 ARG 423 HD2 0.04 -0.04 -0.02 -0.04 3.22 3.17 2dh3A1 ARG 423 HD3 0.03 0.02 0.04 -0.04 3.22 3.27 2dh3A1 ARG 424 H -0.06 0.46 -0.20 -0.55 8.46 8.11 2dh3A1 ARG 424 HA -0.07 0.03 0.56 -0.75 4.34 4.10 2dh3A1 ARG 424 HB2 -0.07 0.10 0.15 -0.04 1.90 2.04 2dh3A1 ARG 424 HB3 -0.06 -0.07 -0.01 -0.04 1.80 1.63 2dh3A1 ARG 424 HG2 -0.02 -0.07 0.04 -0.04 1.67 1.57 2dh3A1 ARG 424 HG3 -0.02 0.15 0.10 -0.04 1.67 1.86 2dh3A1 ARG 424 HD2 -0.00 -0.04 -0.01 -0.04 3.22 3.12 2dh3A1 ARG 424 HD3 -0.01 0.01 -0.05 -0.04 3.22 3.13 2dh3A1 LEU 425 H -0.26 0.68 -0.00 -0.55 8.37 8.24 2dh3A1 LEU 425 HA -0.27 -0.01 0.47 -0.75 4.35 3.78 2dh3A1 LEU 425 HB2 -0.70 0.08 0.08 -0.04 1.64 1.06 2dh3A1 LEU 425 HB3 -0.70 0.03 -0.07 -0.04 1.64 0.86 2dh3A1 LEU 425 HG -0.14 0.06 -0.02 -0.04 1.64 1.49 2dh3A1 LEU 425 HD13 0.01 -0.01 -0.25 -0.04 0.93 0.63 2dh3A1 LEU 425 HD23 -0.08 -0.01 -0.07 -0.04 0.89 0.69 2dh3A1 SER 426 H -0.73 0.60 -0.15 -0.55 8.46 7.64 2dh3A1 SER 426 HA -0.56 0.04 0.43 -0.75 4.49 3.64 2dh3A1 SER 426 HB2 -0.70 -0.07 0.10 -0.04 3.95 3.24 2dh3A1 SER 426 HB3 -0.22 0.05 0.03 -0.04 3.93 3.76 2dh3A1 ASP 427 H -0.19 0.32 -0.35 -0.55 8.40 7.64 2dh3A1 ASP 427 HA -0.04 0.06 0.47 -0.75 4.63 4.36 2dh3A1 ASP 427 HB2 -0.06 0.20 0.18 -0.04 2.71 2.99 2dh3A1 ASP 427 HB3 -0.06 0.02 0.13 -0.04 2.70 2.75 2dh3A1 GLN 428 H -0.13 0.45 -0.14 -0.55 8.47 8.10 2dh3A1 GLN 428 HA -0.05 -0.08 0.51 -0.75 4.36 3.98 2dh3A1 GLN 428 HB2 -0.18 0.20 0.16 -0.04 2.15 2.30 2dh3A1 GLN 428 HB3 -0.24 -0.06 -0.03 -0.04 2.02 1.65 2dh3A1 GLN 428 HG2 -0.08 0.21 0.09 -0.04 2.40 2.57 2dh3A1 GLN 428 HG3 -0.09 -0.06 -0.01 -0.04 2.39 2.18 2dh3A1 GLN 428 HE21 0.05 -0.06 -0.02 -0.04 6.97 6.89 2dh3A1 GLN 428 HE22 -0.00 0.05 -0.02 -0.04 7.69 7.68 2dh3A1 ARG 429 H -0.13 0.51 -0.07 -0.55 8.46 8.22 2dh3A1 ARG 429 HA -0.02 -0.00 0.27 -0.75 4.34 3.83 2dh3A1 ARG 429 HB2 0.16 0.05 0.14 -0.04 1.90 2.21 2dh3A1 ARG 429 HB3 0.10 0.02 0.15 -0.04 1.80 2.02 2dh3A1 ARG 429 HG2 0.33 -0.15 -0.03 -0.04 1.67 1.78 2dh3A1 ARG 429 HG3 0.15 0.03 -0.29 -0.04 1.67 1.52 2dh3A1 ARG 429 HD2 0.08 -0.04 0.04 -0.04 3.22 3.25 2dh3A1 ARG 429 HD3 0.15 0.31 0.11 -0.04 3.22 3.74 2dh3A1 SER 430 H 0.00 0.24 -0.42 -0.55 8.46 7.73 2dh3A1 SER 430 HA 0.04 0.31 0.73 -0.75 4.49 4.81 2dh3A1 SER 430 HB2 0.03 -0.14 0.07 -0.04 3.95 3.87 2dh3A1 SER 430 HB3 0.06 0.08 0.22 -0.04 3.93 4.25 2dh3A1 LYS 431 H 0.00 0.46 0.09 -0.55 8.42 8.42 2dh3A1 LYS 431 HA 0.02 -0.00 0.35 -0.75 4.32 3.94 2dh3A1 LYS 431 HB2 0.02 0.05 0.20 -0.04 1.87 2.11 2dh3A1 LYS 431 HB3 0.03 -0.15 0.03 -0.04 1.79 1.66 2dh3A1 LYS 431 HG2 0.02 -0.08 0.05 -0.04 1.46 1.41 2dh3A1 LYS 431 HG3 0.01 0.10 0.12 -0.04 1.46 1.65 2dh3A1 LYS 431 HD2 0.00 0.08 -0.01 -0.04 1.69 1.73 2dh3A1 LYS 431 HD3 0.02 -0.10 0.01 -0.04 1.68 1.57 2dh3A1 LYS 431 HE2 0.01 -0.06 0.02 -0.04 2.99 2.91 2dh3A1 LYS 431 HE3 0.01 0.05 0.03 -0.04 2.99 3.04 2dh3A1 GLU 432 H 0.02 0.60 0.02 -0.55 8.60 8.69 2dh3A1 GLU 432 HA 0.11 -0.06 0.41 -0.75 4.29 4.00 2dh3A1 GLU 432 HB2 -0.02 0.21 0.03 -0.04 2.09 2.27 2dh3A1 GLU 432 HB3 0.29 -0.17 -0.01 -0.04 1.99 2.06 2dh3A1 GLU 432 HG2 0.09 0.02 0.06 -0.04 2.34 2.47 2dh3A1 GLU 432 HG3 0.16 -0.00 0.01 -0.04 2.34 2.47 2dh3A1 ARG 433 H 0.16 0.03 0.22 -0.55 8.46 8.31 2dh3A1 ARG 433 HA 0.05 0.26 0.32 -0.75 4.34 4.21 2dh3A1 ARG 433 HB2 0.22 -0.10 0.16 -0.04 1.90 2.14 2dh3A1 ARG 433 HB3 0.30 -0.02 0.01 -0.04 1.80 2.05 2dh3A1 ARG 433 HG2 0.11 0.10 0.03 -0.04 1.67 1.87 2dh3A1 ARG 433 HG3 0.11 0.06 0.11 -0.04 1.67 1.91 2dh3A1 ARG 433 HD2 0.17 -0.08 0.04 -0.04 3.22 3.32 2dh3A1 ARG 433 HD3 0.25 -0.02 0.01 -0.04 3.22 3.41 2dh3A1 SER 434 H 0.27 0.07 -0.06 -0.55 8.46 8.19 2dh3A1 SER 434 HA 0.34 0.00 0.24 -0.75 4.49 4.32 2dh3A1 SER 434 HB2 0.49 0.01 0.01 -0.04 3.95 4.42 2dh3A1 SER 434 HB3 0.37 0.05 -0.32 -0.04 3.93 3.98 2dh3A1 LEU 435 H 0.09 0.07 -0.40 -0.55 8.37 7.59 2dh3A1 LEU 435 HA 0.08 0.16 0.61 -0.75 4.35 4.44 2dh3A1 LEU 435 HB2 -0.06 0.16 -0.07 -0.04 1.64 1.63 2dh3A1 LEU 435 HB3 -0.02 0.13 0.07 -0.04 1.64 1.78 2dh3A1 LEU 435 HG -0.26 -0.21 -0.17 -0.04 1.64 0.96 2dh3A1 LEU 435 HD13 -0.51 0.01 -0.18 -0.04 0.93 0.21 2dh3A1 LEU 435 HD23 -0.04 0.01 -0.10 -0.04 0.89 0.72 2dh3A1 LEU 436 H -0.00 -0.02 -0.40 -0.55 8.37 7.41 2dh3A1 LEU 436 HA -0.02 0.28 0.67 -0.75 4.35 4.53 2dh3A1 LEU 436 HB2 -0.24 -0.09 0.14 -0.04 1.64 1.41 2dh3A1 LEU 436 HB3 -0.40 -0.14 -0.02 -0.04 1.64 1.04 2dh3A1 LEU 436 HG -0.03 0.26 -0.08 -0.04 1.64 1.75 2dh3A1 LEU 436 HD13 -0.04 -0.05 -0.18 -0.04 0.93 0.62 2dh3A1 LEU 436 HD23 -0.04 0.04 0.10 -0.04 0.89 0.94 2dh3A1 HIS 437 H -0.13 0.24 -0.07 -0.55 8.41 7.91 2dh3A1 HIS 437 HA -0.17 0.15 0.80 -0.75 4.63 4.66 2dh3A1 HIS 437 HB2 -0.87 0.03 0.06 -0.04 3.26 2.44 2dh3A1 HIS 437 HB3 -1.17 -0.16 0.13 -0.04 3.20 1.95 2dh3A1 HIS 437 HD2 -0.66 -0.02 0.01 -0.04 6.97 6.26 2dh3A1 HIS 437 HE1 -0.25 -0.05 -0.04 -0.04 7.75 7.37 2dh3A1 GLY 438 H 0.09 0.04 0.06 -0.55 8.43 8.08 2dh3A1 GLY 438 HA2 0.14 0.25 0.38 -0.51 4.01 4.27 2dh3A1 GLY 438 HA3 0.22 -0.01 0.27 -0.51 4.01 3.98 2dh3A1 ASP 439 H 0.22 0.32 -0.16 -0.55 8.40 8.24 2dh3A1 ASP 439 HA 0.15 0.06 0.78 -0.75 4.63 4.87 2dh3A1 ASP 439 HB2 0.39 -0.11 0.13 -0.04 2.71 3.07 2dh3A1 ASP 439 HB3 0.11 0.26 0.33 -0.04 2.70 3.36 2dh3A1 PHE 440 H -0.05 0.20 0.22 -0.55 8.34 8.15 2dh3A1 PHE 440 HA -0.02 0.37 1.03 -0.75 4.62 5.25 2dh3A1 PHE 440 HB2 -0.03 0.13 -0.21 -0.04 3.15 3.00 2dh3A1 PHE 440 HB3 -0.05 0.01 -0.04 -0.04 3.06 2.94 2dh3A1 PHE 440 HD2 -0.11 0.06 -0.11 -0.04 7.28 7.09 2dh3A1 PHE 440 HE2 -0.71 -0.05 -0.14 -0.04 7.38 6.44 2dh3A1 PHE 440 HZ -0.03 -0.07 -0.13 -0.04 7.32 7.04 2dh3A1 HIS 441 H -0.49 0.50 0.34 -0.55 8.41 8.21 2dh3A1 HIS 441 HA -0.37 0.11 0.87 -0.75 4.63 4.49 2dh3A1 HIS 441 HB2 -0.24 -0.04 0.09 -0.04 3.26 3.03 2dh3A1 HIS 441 HB3 -0.22 0.09 0.10 -0.04 3.20 3.13 2dh3A1 HIS 441 HD2 0.04 0.04 -0.18 -0.04 6.97 6.83 2dh3A1 HIS 441 HE1 0.11 -0.03 -0.03 -0.04 7.75 7.75 2dh3A1 ALA 442 H -0.19 0.16 0.22 -0.55 8.40 8.05 2dh3A1 ALA 442 HA -0.09 0.17 1.07 -0.75 4.34 4.74 2dh3A1 ALA 442 HB3 0.19 -0.01 0.10 -0.04 1.41 1.65 2dh3A1 PHE 443 H 0.28 0.47 0.27 -0.55 8.34 8.80 2dh3A1 PHE 443 HA 0.03 0.37 0.64 -0.75 4.62 4.91 2dh3A1 PHE 443 HB2 0.04 -0.13 0.03 -0.04 3.15 3.05 2dh3A1 PHE 443 HB3 0.03 -0.10 -0.05 -0.04 3.06 2.90 2dh3A1 PHE 443 HD2 -0.00 0.09 -0.29 -0.04 7.28 7.03 2dh3A1 PHE 443 HE2 -0.01 -0.02 -0.36 -0.04 7.38 6.96 2dh3A1 PHE 443 HZ -0.00 0.01 -0.19 -0.04 7.32 7.10 2dh3A1 SER 444 H 0.22 0.29 0.07 -0.55 8.46 8.49 2dh3A1 SER 444 HA 0.13 0.15 0.78 -0.75 4.49 4.79 2dh3A1 SER 444 HB2 0.08 -0.03 0.20 -0.04 3.95 4.16 2dh3A1 SER 444 HB3 0.07 -0.01 0.14 -0.04 3.93 4.09 2dh3A1 ALA 445 H 0.14 0.16 -0.24 -0.55 8.40 7.91 2dh3A1 ALA 445 HA 0.04 0.23 0.53 -0.75 4.34 4.39 2dh3A1 ALA 445 HB3 0.03 -0.04 -0.00 -0.04 1.41 1.35 2dh3A1 GLY 446 H 0.03 -0.00 0.11 -0.55 8.43 8.01 2dh3A1 GLY 446 HA2 0.03 0.19 0.59 -0.51 4.01 4.31 2dh3A1 GLY 446 HA3 0.02 -0.02 0.37 -0.51 4.01 3.87 2dh3A1 PRO 447 HA 0.03 0.19 0.22 -0.51 4.44 4.38 2dh3A1 PRO 447 HB2 0.02 -0.01 0.01 -0.04 2.28 2.26 2dh3A1 PRO 447 HB3 0.02 0.06 0.12 -0.04 2.02 2.18 2dh3A1 PRO 447 HG2 0.02 0.03 0.10 -0.04 2.03 2.14 2dh3A1 PRO 447 HG3 0.02 0.10 0.12 -0.04 2.03 2.23 2dh3A1 PRO 447 HD2 0.02 0.05 0.18 -0.04 3.68 3.89 2dh3A1 PRO 447 HD3 0.02 0.16 0.28 -0.04 3.65 4.06 2dh3A1 GLY 448 H 0.05 0.04 -0.25 -0.55 8.43 7.73 2dh3A1 GLY 448 HA2 0.08 0.06 0.76 -0.51 4.01 4.40 2dh3A1 GLY 448 HA3 0.08 -0.07 0.30 -0.51 4.01 3.81 2dh3A1 LEU 449 H 0.09 0.17 -0.18 -0.55 8.37 7.90 2dh3A1 LEU 449 HA 0.20 0.31 0.35 -0.75 4.35 4.46 2dh3A1 LEU 449 HB2 0.09 0.03 0.03 -0.04 1.64 1.75 2dh3A1 LEU 449 HB3 0.09 -0.01 -0.04 -0.04 1.64 1.64 2dh3A1 LEU 449 HG 0.05 -0.13 -0.05 -0.04 1.64 1.46 2dh3A1 LEU 449 HD13 -0.00 -0.04 -0.06 -0.04 0.93 0.79 2dh3A1 LEU 449 HD23 0.03 0.01 -0.24 -0.04 0.89 0.66 2dh3A1 PHE 450 H 0.27 0.22 0.14 -0.55 8.34 8.43 2dh3A1 PHE 450 HA 0.15 0.12 0.58 -0.75 4.62 4.71 2dh3A1 PHE 450 HB2 0.13 0.02 -0.04 -0.04 3.15 3.22 2dh3A1 PHE 450 HB3 0.35 -0.02 0.14 -0.04 3.06 3.49 2dh3A1 PHE 450 HD2 0.21 -0.01 -0.01 -0.04 7.28 7.43 2dh3A1 PHE 450 HE2 0.06 0.03 -0.08 -0.04 7.38 7.36 2dh3A1 PHE 450 HZ -0.06 0.04 -0.09 -0.04 7.32 7.16 2dh3A1 SER 451 H 0.25 0.19 0.14 -0.55 8.46 8.50 2dh3A1 SER 451 HA -0.20 0.34 1.01 -0.75 4.49 4.90 2dh3A1 SER 451 HB2 0.11 -0.10 0.07 -0.04 3.95 3.98 2dh3A1 SER 451 HB3 -0.07 0.18 0.16 -0.04 3.93 4.16 2dh3A1 TYR 452 H -0.24 0.42 0.38 -0.55 8.29 8.31 2dh3A1 TYR 452 HA -0.02 0.11 0.80 -0.75 4.56 4.70 2dh3A1 TYR 452 HB2 -0.42 0.12 0.03 -0.04 3.06 2.75 2dh3A1 TYR 452 HB3 -0.26 -0.02 -0.06 -0.04 2.98 2.60 2dh3A1 TYR 452 HD2 -0.45 0.02 -0.42 -0.04 7.15 6.26 2dh3A1 TYR 452 HE2 -0.35 0.09 -0.22 -0.04 6.85 6.33 2dh3A1 ILE 453 H -0.03 0.64 0.44 -0.55 8.25 8.75 2dh3A1 ILE 453 HA 0.20 0.28 1.07 -0.75 4.18 4.97 2dh3A1 ILE 453 HB 0.05 -0.07 0.11 -0.04 1.89 1.95 2dh3A1 ILE 453 HG12 -0.00 -0.07 -0.11 -0.04 1.49 1.26 2dh3A1 ILE 453 HG13 0.01 0.01 -0.06 -0.04 1.21 1.13 2dh3A1 ILE 453 HG23 0.11 0.02 -0.11 -0.04 0.93 0.91 2dh3A1 ILE 453 HD13 0.43 0.01 -0.11 -0.04 0.88 1.17 2dh3A1 ARG 454 H 0.22 0.55 0.39 -0.55 8.46 9.06 2dh3A1 ARG 454 HA 0.32 0.35 1.01 -0.75 4.34 5.27 2dh3A1 ARG 454 HB2 0.31 -0.17 0.09 -0.04 1.90 2.10 2dh3A1 ARG 454 HB3 0.27 0.20 -0.03 -0.04 1.80 2.20 2dh3A1 ARG 454 HG2 0.39 -0.18 -0.50 -0.04 1.67 1.34 2dh3A1 ARG 454 HG3 0.28 0.03 -0.11 -0.04 1.67 1.83 2dh3A1 ARG 454 HD2 0.33 0.12 0.10 -0.04 3.22 3.73 2dh3A1 ARG 454 HD3 0.47 -0.12 -0.08 -0.04 3.22 3.45 2dh3A1 HIS 455 H 0.40 0.49 0.25 -0.55 8.41 9.00 2dh3A1 HIS 455 HA 0.22 0.11 0.70 -0.75 4.63 4.90 2dh3A1 HIS 455 HB2 0.17 0.00 -0.02 -0.04 3.26 3.37 2dh3A1 HIS 455 HB3 0.15 0.06 -0.26 -0.04 3.20 3.10 2dh3A1 HIS 455 HD2 0.20 0.10 -0.17 -0.04 6.97 7.06 2dh3A1 HIS 455 HE1 0.14 -0.11 -0.08 -0.04 7.75 7.65 2dh3A1 TRP 456 H 0.29 0.23 -0.02 -0.55 7.97 7.92 2dh3A1 TRP 456 HA -0.12 0.06 0.52 -0.75 4.62 4.32 2dh3A1 TRP 456 HB2 0.09 0.21 -0.14 -0.04 3.23 3.34 2dh3A1 TRP 456 HB3 0.09 -0.09 -0.11 -0.04 3.23 3.07 2dh3A1 TRP 456 HD1 -0.04 -0.07 -0.16 -0.04 7.22 6.90 2dh3A1 TRP 456 HE1 -0.39 -0.01 -0.05 -0.04 10.20 9.71 2dh3A1 TRP 456 HE3 -0.07 0.16 0.13 -0.04 7.59 7.78 2dh3A1 TRP 456 HZ2 -0.30 0.00 -0.00 -0.04 7.44 7.09 2dh3A1 TRP 456 HZ3 -0.03 0.02 0.00 -0.04 7.13 7.08 2dh3A1 TRP 456 HH2 -0.09 0.00 0.01 -0.04 7.19 7.08 2dh3A1 ASP 457 H -0.77 0.14 0.08 -0.55 8.40 7.31 2dh3A1 ASP 457 HA -0.42 0.04 0.33 -0.75 4.63 3.82 2dh3A1 ASP 457 HB2 -0.24 0.13 0.02 -0.04 2.71 2.57 2dh3A1 ASP 457 HB3 -0.29 -0.05 0.20 -0.04 2.70 2.52 2dh3A1 GLN 458 H -0.22 0.12 0.16 -0.55 8.47 7.98 2dh3A1 GLN 458 HA -0.65 0.22 0.83 -0.75 4.36 4.01 2dh3A1 GLN 458 HB2 -0.27 -0.01 0.16 -0.04 2.15 1.99 2dh3A1 GLN 458 HB3 -0.52 -0.03 0.21 -0.04 2.02 1.64 2dh3A1 GLN 458 HG2 -1.20 0.08 -0.12 -0.04 2.40 1.12 2dh3A1 GLN 458 HG3 -0.40 -0.07 -0.07 -0.04 2.39 1.81 2dh3A1 GLN 458 HE21 -0.09 -0.01 -0.01 -0.04 6.97 6.81 2dh3A1 GLN 458 HE22 -0.20 -0.00 -0.03 -0.04 7.69 7.42 2dh3A1 ASN 459 H 0.01 0.47 -0.22 -0.55 8.53 8.25 2dh3A1 ASN 459 HA 0.05 0.07 0.70 -0.75 4.76 4.82 2dh3A1 ASN 459 HB2 0.21 0.13 0.09 -0.04 2.88 3.26 2dh3A1 ASN 459 HB3 0.16 -0.14 0.21 -0.04 2.79 2.98 2dh3A1 ASN 459 HD21 0.37 -0.04 -0.04 -0.04 7.03 7.28 2dh3A1 ASN 459 HD22 0.46 0.11 -0.04 -0.04 7.74 8.23 2dh3A1 GLU 460 H 0.06 0.05 0.18 -0.55 8.60 8.35 2dh3A1 GLU 460 HA -0.07 0.04 0.56 -0.75 4.29 4.06 2dh3A1 GLU 460 HB2 -0.04 -0.06 0.13 -0.04 2.09 2.09 2dh3A1 GLU 460 HB3 -0.08 -0.04 0.11 -0.04 1.99 1.94 2dh3A1 GLU 460 HG2 -0.41 -0.02 -0.05 -0.04 2.34 1.82 2dh3A1 GLU 460 HG3 -0.53 0.24 0.01 -0.04 2.34 2.03 2dh3A1 ARG 461 H -0.36 0.61 0.35 -0.55 8.46 8.51 2dh3A1 ARG 461 HA -0.10 0.24 0.85 -0.75 4.34 4.58 2dh3A1 ARG 461 HB2 -0.65 0.07 0.05 -0.04 1.90 1.33 2dh3A1 ARG 461 HB3 -0.52 0.00 0.00 -0.04 1.80 1.25 2dh3A1 ARG 461 HG2 0.10 -0.00 -0.06 -0.04 1.67 1.67 2dh3A1 ARG 461 HG3 0.11 -0.06 -0.10 -0.04 1.67 1.58 2dh3A1 ARG 461 HD2 0.25 -0.05 -0.05 -0.04 3.22 3.33 2dh3A1 ARG 461 HD3 0.09 0.05 -0.20 -0.04 3.22 3.12 2dh3A1 PHE 462 H 0.04 0.58 0.40 -0.55 8.34 8.80 2dh3A1 PHE 462 HA -0.20 0.28 1.10 -0.75 4.62 5.05 2dh3A1 PHE 462 HB2 0.03 0.03 0.05 -0.04 3.15 3.22 2dh3A1 PHE 462 HB3 -0.00 0.00 -0.05 -0.04 3.06 2.97 2dh3A1 PHE 462 HD2 0.00 0.02 -0.18 -0.04 7.28 7.09 2dh3A1 PHE 462 HE2 0.01 -0.09 -0.11 -0.04 7.38 7.16 2dh3A1 PHE 462 HZ 0.01 -0.05 -0.07 -0.04 7.32 7.17 2dh3A1 LEU 463 H 0.16 0.75 0.38 -0.55 8.37 9.11 2dh3A1 LEU 463 HA 0.14 0.32 1.06 -0.75 4.35 5.12 2dh3A1 LEU 463 HB2 0.42 0.03 -0.09 -0.04 1.64 1.96 2dh3A1 LEU 463 HB3 0.30 -0.04 0.06 -0.04 1.64 1.92 2dh3A1 LEU 463 HG 0.02 -0.07 -0.34 -0.04 1.64 1.21 2dh3A1 LEU 463 HD13 0.08 0.01 -0.04 -0.04 0.93 0.94 2dh3A1 LEU 463 HD23 0.01 -0.02 -0.15 -0.04 0.89 0.69 2dh3A1 VAL 464 H -0.19 0.57 0.38 -0.55 8.24 8.46 2dh3A1 VAL 464 HA -0.15 0.31 1.08 -0.75 4.13 4.61 2dh3A1 VAL 464 HB -1.44 -0.06 0.10 -0.04 2.12 0.69 2dh3A1 VAL 464 HG13 -0.34 -0.00 -0.14 -0.04 0.97 0.45 2dh3A1 VAL 464 HG23 -0.16 0.03 -0.18 -0.04 0.95 0.60 2dh3A1 VAL 465 H -0.14 0.54 0.29 -0.55 8.24 8.38 2dh3A1 VAL 465 HA -0.12 0.11 0.73 -0.75 4.13 4.09 2dh3A1 VAL 465 HB -0.07 -0.08 0.10 -0.04 2.12 2.03 2dh3A1 VAL 465 HG13 -0.06 -0.02 -0.16 -0.04 0.97 0.69 2dh3A1 VAL 465 HG23 -0.11 0.03 -0.29 -0.04 0.95 0.54 2dh3A1 LEU 466 H 0.01 0.25 0.08 -0.55 8.37 8.17 2dh3A1 LEU 466 HA -0.10 0.23 1.04 -0.75 4.35 4.76 2dh3A1 LEU 466 HB2 0.27 -0.03 0.15 -0.04 1.64 1.98 2dh3A1 LEU 466 HB3 -0.29 0.02 -0.08 -0.04 1.64 1.25 2dh3A1 LEU 466 HG -0.09 0.01 -0.18 -0.04 1.64 1.34 2dh3A1 LEU 466 HD13 0.21 0.00 -0.10 -0.04 0.93 1.00 2dh3A1 LEU 466 HD23 -0.09 0.02 -0.13 -0.04 0.89 0.66 2dh3A1 ASN 467 H -0.09 0.72 0.18 -0.55 8.53 8.79 2dh3A1 ASN 467 HA 0.07 0.02 0.71 -0.75 4.76 4.81 2dh3A1 ASN 467 HB2 -0.02 -0.03 -0.03 -0.04 2.88 2.76 2dh3A1 ASN 467 HB3 -0.05 0.04 0.15 -0.04 2.79 2.88 2dh3A1 ASN 467 HD21 -0.04 0.40 -0.07 -0.04 7.03 7.27 2dh3A1 ASN 467 HD22 -0.04 0.04 -0.29 -0.04 7.74 7.42 2dh3A1 PHE 468 H 0.27 0.26 0.11 -0.55 8.34 8.44 2dh3A1 PHE 468 HA 0.09 0.19 0.67 -0.75 4.62 4.82 2dh3A1 PHE 468 HB2 0.04 0.15 0.15 -0.04 3.15 3.45 2dh3A1 PHE 468 HB3 0.07 -0.10 0.12 -0.04 3.06 3.11 2dh3A1 PHE 468 HD2 0.09 0.09 -0.01 -0.04 7.28 7.41 2dh3A1 PHE 468 HE2 -0.12 0.00 -0.07 -0.04 7.38 7.14 2dh3A1 PHE 468 HZ -0.18 0.02 -0.12 -0.04 7.32 7.00 2dh3A1 GLY 469 H 0.07 -0.02 0.02 -0.55 8.43 7.95 2dh3A1 GLY 469 HA2 0.05 0.16 0.63 -0.51 4.01 4.34 2dh3A1 GLY 469 HA3 0.01 -0.03 0.37 -0.51 4.01 3.85 2dh3A1 ASP 470 H -0.03 0.13 0.14 -0.55 8.40 8.09 2dh3A1 ASP 470 HA -0.35 0.20 0.69 -0.75 4.63 4.41 2dh3A1 ASP 470 HB2 0.01 -0.02 0.13 -0.04 2.71 2.78 2dh3A1 ASP 470 HB3 0.02 0.02 0.22 -0.04 2.70 2.92 2dh3A1 VAL 471 H -0.08 0.15 -0.42 -0.55 8.24 7.34 2dh3A1 VAL 471 HA -0.03 0.18 0.93 -0.75 4.13 4.46 2dh3A1 VAL 471 HB -0.02 -0.05 -0.04 -0.04 2.12 1.97 2dh3A1 VAL 471 HG13 -0.01 0.08 0.03 -0.04 0.97 1.03 2dh3A1 VAL 471 HG23 -0.01 -0.02 -0.18 -0.04 0.95 0.70 2dh3A1 GLY 472 H -0.02 0.09 0.15 -0.55 8.43 8.11 2dh3A1 GLY 472 HA2 -0.03 0.33 0.62 -0.51 4.01 4.43 2dh3A1 GLY 472 HA3 -0.02 -0.02 0.34 -0.51 4.01 3.81 2dh3A1 LEU 473 H -0.02 0.53 0.37 -0.55 8.37 8.70 2dh3A1 LEU 473 HA -0.01 0.15 0.88 -0.75 4.35 4.61 2dh3A1 LEU 473 HB2 -0.01 0.02 -0.02 -0.04 1.64 1.60 2dh3A1 LEU 473 HB3 -0.01 0.01 -0.12 -0.04 1.64 1.48 2dh3A1 LEU 473 HG -0.01 0.15 -0.44 -0.04 1.64 1.30 2dh3A1 LEU 473 HD13 0.02 -0.04 -0.08 -0.04 0.93 0.79 2dh3A1 LEU 473 HD23 0.00 0.01 0.03 -0.04 0.89 0.90 2dh3A1 SER 474 H -0.01 0.18 0.14 -0.55 8.46 8.23 2dh3A1 SER 474 HA -0.02 0.31 0.89 -0.75 4.49 4.92 2dh3A1 SER 474 HB2 -0.01 -0.05 0.15 -0.04 3.95 4.00 2dh3A1 SER 474 HB3 -0.02 0.09 -0.04 -0.04 3.93 3.93 2dh3A1 ALA 475 H -0.04 0.73 0.14 -0.55 8.40 8.69 2dh3A1 ALA 475 HA -0.04 -0.09 0.54 -0.75 4.34 3.99 2dh3A1 ALA 475 HB3 -0.07 0.01 0.06 -0.04 1.41 1.37 2dh3A1 GLY 476 H -0.03 0.15 0.19 -0.55 8.43 8.19 2dh3A1 GLY 476 HA2 -0.06 0.28 0.71 -0.51 4.01 4.44 2dh3A1 GLY 476 HA3 -0.03 -0.02 0.37 -0.51 4.01 3.81 2dh3A1 LEU 477 H -0.16 0.39 -0.42 -0.55 8.37 7.63 2dh3A1 LEU 477 HA -0.16 -0.02 0.40 -0.75 4.35 3.82 2dh3A1 LEU 477 HB2 -1.36 0.08 -0.11 -0.04 1.64 0.20 2dh3A1 LEU 477 HB3 -0.49 -0.11 -0.04 -0.04 1.64 0.96 2dh3A1 LEU 477 HG -0.30 0.09 0.07 -0.04 1.64 1.46 2dh3A1 LEU 477 HD13 -0.57 0.00 -0.11 -0.04 0.93 0.21 2dh3A1 LEU 477 HD23 -0.21 -0.02 -0.06 -0.04 0.89 0.56 2dh3A1 GLN 478 H 0.06 0.18 0.16 -0.55 8.47 8.33 2dh3A1 GLN 478 HA 0.03 0.15 0.71 -0.75 4.36 4.49 2dh3A1 GLN 478 HB2 0.02 0.12 -0.01 -0.04 2.15 2.24 2dh3A1 GLN 478 HB3 0.07 -0.01 0.05 -0.04 2.02 2.09 2dh3A1 GLN 478 HG2 0.04 -0.16 0.02 -0.04 2.40 2.26 2dh3A1 GLN 478 HG3 0.01 0.03 0.04 -0.04 2.39 2.44 2dh3A1 GLN 478 HE21 0.01 -0.00 0.00 -0.04 6.97 6.93 2dh3A1 GLN 478 HE22 0.01 -0.01 0.00 -0.04 7.69 7.65 2dh3A1 ALA 479 H 0.07 0.12 0.06 -0.55 8.40 8.10 2dh3A1 ALA 479 HA 0.10 0.10 0.24 -0.75 4.34 4.03 2dh3A1 ALA 479 HB3 0.02 -0.02 0.00 -0.04 1.41 1.37 2dh3A1 SER 480 H 0.05 -0.07 -0.41 -0.55 8.46 7.49 2dh3A1 SER 480 HA 0.02 -0.13 0.35 -0.75 4.49 3.98 2dh3A1 SER 480 HB2 0.07 -0.08 0.03 -0.04 3.95 3.92 2dh3A1 SER 480 HB3 0.13 0.07 0.05 -0.04 3.93 4.13 2dh3A1 ASP 481 H -0.01 -0.05 0.10 -0.55 8.40 7.89 2dh3A1 ASP 481 HA -0.04 -0.07 0.42 -0.75 4.63 4.19 2dh3A1 ASP 481 HB2 0.00 -0.13 -0.08 -0.04 2.71 2.46 2dh3A1 ASP 481 HB3 -0.02 0.19 0.16 -0.04 2.70 2.98 2dh3A1 LEU 482 H -0.09 0.10 0.13 -0.55 8.37 7.96 2dh3A1 LEU 482 HA -0.24 0.14 0.54 -0.75 4.35 4.03 2dh3A1 LEU 482 HB2 -0.15 -0.09 -0.06 -0.04 1.64 1.31 2dh3A1 LEU 482 HB3 -0.25 -0.02 0.04 -0.04 1.64 1.37 2dh3A1 LEU 482 HG -0.29 0.32 -0.53 -0.04 1.64 1.09 2dh3A1 LEU 482 HD13 -0.27 -0.07 -0.13 -0.04 0.93 0.42 2dh3A1 LEU 482 HD23 -0.55 -0.01 -0.09 -0.04 0.89 0.20 2dh3A1 PRO 483 HA -0.12 0.14 0.65 -0.51 4.44 4.61 2dh3A1 PRO 483 HB2 -0.11 -0.20 0.00 -0.04 2.28 1.93 2dh3A1 PRO 483 HB3 -0.11 0.06 0.11 -0.04 2.02 2.04 2dh3A1 PRO 483 HG2 -0.53 0.10 -0.06 -0.04 2.03 1.50 2dh3A1 PRO 483 HG3 -0.80 0.10 -0.00 -0.04 2.03 1.28 2dh3A1 PRO 483 HD2 -0.43 0.13 -0.02 -0.04 3.68 3.32 2dh3A1 PRO 483 HD3 -0.82 0.19 0.12 -0.04 3.65 3.09 2dh3A1 ALA 484 H -0.05 0.16 0.12 -0.55 8.40 8.09 2dh3A1 ALA 484 HA -0.04 0.10 0.47 -0.75 4.34 4.12 2dh3A1 ALA 484 HB3 -0.02 0.02 0.09 -0.04 1.41 1.46 2dh3A1 SER 485 H -0.04 0.05 -0.38 -0.55 8.46 7.54 2dh3A1 SER 485 HA -0.03 0.15 0.55 -0.75 4.49 4.40 2dh3A1 SER 485 HB2 0.08 -0.05 -0.01 -0.04 3.95 3.93 2dh3A1 SER 485 HB3 0.03 0.00 -0.01 -0.04 3.93 3.91 2dh3A1 ALA 486 H -0.07 0.17 -0.77 -0.55 8.40 7.18 2dh3A1 ALA 486 HA -0.09 0.15 0.50 -0.75 4.34 4.14 2dh3A1 ALA 486 HB3 -0.08 -0.00 -0.05 -0.04 1.41 1.24 2dh3A1 SER 487 H -0.05 0.07 -0.07 -0.55 8.46 7.87 2dh3A1 SER 487 HA -0.04 -0.07 0.24 -0.75 4.49 3.87 2dh3A1 SER 487 HB2 -0.07 -0.00 0.03 -0.04 3.95 3.86 2dh3A1 SER 487 HB3 -0.05 -0.03 0.10 -0.04 3.93 3.91 2dh3A1 LEU 488 H -0.04 -0.07 -0.07 -0.55 8.37 7.64 2dh3A1 LEU 488 HA -0.18 0.19 0.55 -0.75 4.35 4.15 2dh3A1 LEU 488 HB2 -0.08 -0.11 -0.02 -0.04 1.64 1.38 2dh3A1 LEU 488 HB3 -0.21 0.04 -0.01 -0.04 1.64 1.41 2dh3A1 LEU 488 HG 0.05 -0.05 -0.11 -0.04 1.64 1.49 2dh3A1 LEU 488 HD13 0.15 -0.03 -0.16 -0.04 0.93 0.86 2dh3A1 LEU 488 HD23 0.12 0.03 -0.08 -0.04 0.89 0.92 2dh3A1 PRO 489 HA -0.13 0.04 0.57 -0.51 4.44 4.41 2dh3A1 PRO 489 HB2 -0.22 0.14 -0.01 -0.04 2.28 2.14 2dh3A1 PRO 489 HB3 -0.13 -0.03 0.20 -0.04 2.02 2.01 2dh3A1 PRO 489 HG2 -0.49 0.09 0.06 -0.04 2.03 1.65 2dh3A1 PRO 489 HG3 -0.18 0.01 0.07 -0.04 2.03 1.89 2dh3A1 PRO 489 HD2 -0.89 0.06 0.07 -0.04 3.68 2.88 2dh3A1 PRO 489 HD3 -0.51 0.27 0.19 -0.04 3.65 3.56 2dh3A1 ALA 490 H -0.09 0.13 0.16 -0.55 8.40 8.06 2dh3A1 ALA 490 HA -0.08 0.08 0.63 -0.75 4.34 4.22 2dh3A1 ALA 490 HB3 -0.05 -0.00 0.10 -0.04 1.41 1.42 2dh3A1 LYS 491 H -0.10 0.13 -0.03 -0.55 8.42 7.87 2dh3A1 LYS 491 HA -0.07 0.25 0.95 -0.75 4.32 4.70 2dh3A1 LYS 491 HB2 -0.04 -0.06 0.02 -0.04 1.87 1.75 2dh3A1 LYS 491 HB3 -0.03 0.08 0.01 -0.04 1.79 1.80 2dh3A1 LYS 491 HG2 -0.04 0.11 -0.18 -0.04 1.46 1.31 2dh3A1 LYS 491 HG3 -0.04 -0.18 -0.33 -0.04 1.46 0.87 2dh3A1 LYS 491 HD2 -0.02 -0.03 -0.06 -0.04 1.69 1.54 2dh3A1 LYS 491 HD3 -0.02 0.06 -0.10 -0.04 1.68 1.57 2dh3A1 LYS 491 HE2 -0.03 0.01 -0.09 -0.04 2.99 2.84 2dh3A1 LYS 491 HE3 -0.03 -0.05 -0.07 -0.04 2.99 2.81 2dh3A1 ALA 492 H -0.05 0.32 0.14 -0.55 8.40 8.26 2dh3A1 ALA 492 HA 0.02 0.16 0.70 -0.75 4.34 4.46 2dh3A1 ALA 492 HB3 0.00 0.06 -0.13 -0.04 1.41 1.30 2dh3A1 ASP 493 H 0.08 0.35 0.20 -0.55 8.40 8.49 2dh3A1 ASP 493 HA 0.03 0.03 0.27 -0.75 4.63 4.21 2dh3A1 ASP 493 HB2 0.04 -0.01 0.07 -0.04 2.71 2.78 2dh3A1 ASP 493 HB3 0.03 0.13 -0.16 -0.04 2.70 2.66 2dh3A1 LEU 494 H 0.02 0.46 0.15 -0.55 8.37 8.45 2dh3A1 LEU 494 HA 0.04 0.07 0.64 -0.75 4.35 4.34 2dh3A1 LEU 494 HB2 0.01 0.02 0.11 -0.04 1.64 1.75 2dh3A1 LEU 494 HB3 0.02 0.02 0.19 -0.04 1.64 1.83 2dh3A1 LEU 494 HG 0.02 -0.05 -0.29 -0.04 1.64 1.27 2dh3A1 LEU 494 HD13 0.01 0.01 -0.08 -0.04 0.93 0.83 2dh3A1 LEU 494 HD23 0.01 -0.02 -0.24 -0.04 0.89 0.60 2dh3A1 LEU 495 H 0.06 0.53 0.46 -0.55 8.37 8.88 2dh3A1 LEU 495 HA 0.05 0.07 0.70 -0.75 4.35 4.41 2dh3A1 LEU 495 HB2 0.12 -0.05 0.10 -0.04 1.64 1.76 2dh3A1 LEU 495 HB3 0.09 0.17 0.15 -0.04 1.64 2.00 2dh3A1 LEU 495 HG 0.05 -0.00 -0.12 -0.04 1.64 1.52 2dh3A1 LEU 495 HD13 0.08 -0.01 0.03 -0.04 0.93 0.99 2dh3A1 LEU 495 HD23 0.17 0.00 -0.07 -0.04 0.89 0.95 2dh3A1 LEU 496 H 0.03 0.25 0.17 -0.55 8.37 8.27 2dh3A1 LEU 496 HA 0.01 0.05 0.62 -0.75 4.35 4.27 2dh3A1 LEU 496 HB2 0.00 0.20 -0.26 -0.04 1.64 1.54 2dh3A1 LEU 496 HB3 0.00 -0.03 -0.16 -0.04 1.64 1.41 2dh3A1 LEU 496 HG -0.01 0.05 -0.08 -0.04 1.64 1.56 2dh3A1 LEU 496 HD13 -0.03 0.01 -0.10 -0.04 0.93 0.77 2dh3A1 LEU 496 HD23 -0.01 -0.02 -0.40 -0.04 0.89 0.41 2dh3A1 SER 497 H 0.00 0.25 0.14 -0.55 8.46 8.31 2dh3A1 SER 497 HA -0.00 0.33 1.01 -0.75 4.49 5.07 2dh3A1 SER 497 HB2 -0.00 -0.03 0.01 -0.04 3.95 3.89 2dh3A1 SER 497 HB3 0.00 0.05 0.05 -0.04 3.93 3.99 2dh3A1 THR 498 H -0.01 0.41 0.31 -0.55 8.28 8.44 2dh3A1 THR 498 HA 0.01 0.12 0.41 -0.75 4.39 4.18 2dh3A1 THR 498 HB 0.01 -0.03 0.05 -0.04 4.32 4.31 2dh3A1 THR 498 HG23 -0.00 0.05 -0.05 -0.04 1.22 1.18 2dh3A1 GLN 499 H 0.00 -0.02 -0.19 -0.55 8.47 7.72 2dh3A1 GLN 499 HA 0.01 0.25 0.88 -0.75 4.36 4.75 2dh3A1 GLN 499 HB2 0.01 -0.11 0.07 -0.04 2.15 2.07 2dh3A1 GLN 499 HB3 0.01 0.12 -0.01 -0.04 2.02 2.10 2dh3A1 GLN 499 HG2 0.02 0.07 -0.07 -0.04 2.40 2.39 2dh3A1 GLN 499 HG3 0.02 -0.12 -0.17 -0.04 2.39 2.08 2dh3A1 GLN 499 HE21 0.04 0.11 -0.20 -0.04 6.97 6.88 2dh3A1 GLN 499 HE22 0.05 0.02 -0.24 -0.04 7.69 7.49 2dh3A1 PRO 500 HA 0.01 0.04 0.59 -0.51 4.44 4.57 2dh3A1 PRO 500 HB2 0.01 -0.02 0.01 -0.04 2.28 2.24 2dh3A1 PRO 500 HB3 0.01 0.02 0.09 -0.04 2.02 2.10 2dh3A1 PRO 500 HG2 0.01 -0.01 0.11 -0.04 2.03 2.11 2dh3A1 PRO 500 HG3 0.01 0.11 0.09 -0.04 2.03 2.20 2dh3A1 PRO 500 HD2 0.01 0.03 0.25 -0.04 3.68 3.93 2dh3A1 PRO 500 HD3 0.01 0.37 0.22 -0.04 3.65 4.21 2dh3A1 GLY 501 H 0.01 0.20 0.10 -0.55 8.43 8.18 2dh3A1 GLY 501 HA2 0.00 -0.01 0.34 -0.51 4.01 3.84 2dh3A1 GLY 501 HA3 0.00 0.14 0.66 -0.51 4.01 4.31 2dh3A1 ARG 502 H 0.00 0.18 -0.00 -0.55 8.46 8.09 2dh3A1 ARG 502 HA 0.00 0.06 0.31 -0.75 4.34 3.96 2dh3A1 ARG 502 HB2 0.00 -0.01 -0.07 -0.04 1.90 1.79 2dh3A1 ARG 502 HB3 0.00 0.04 -0.04 -0.04 1.80 1.76 2dh3A1 ARG 502 HG2 0.00 -0.02 -0.02 -0.04 1.67 1.59 2dh3A1 ARG 502 HG3 -0.00 0.02 -0.02 -0.04 1.67 1.63 2dh3A1 ARG 502 HD2 -0.00 0.03 -0.01 -0.04 3.22 3.20 2dh3A1 ARG 502 HD3 -0.00 -0.01 -0.03 -0.04 3.22 3.13 2dh3A1 GLU 503 H 0.00 0.13 0.10 -0.55 8.60 8.29 2dh3A1 GLU 503 HA 0.00 0.16 0.82 -0.75 4.29 4.52 2dh3A1 GLU 503 HB2 0.00 -0.02 0.19 -0.04 2.09 2.22 2dh3A1 GLU 503 HB3 0.00 0.02 0.04 -0.04 1.99 2.01 2dh3A1 GLU 503 HG2 0.00 0.06 0.03 -0.04 2.34 2.39 2dh3A1 GLU 503 HG3 0.00 -0.02 0.03 -0.04 2.34 2.31 2dh3A1 GLU 504 H 0.01 0.24 0.02 -0.55 8.60 8.32 2dh3A1 GLU 504 HA 0.01 0.07 0.49 -0.75 4.29 4.11 2dh3A1 GLU 504 HB2 0.01 -0.02 0.09 -0.04 2.09 2.13 2dh3A1 GLU 504 HB3 0.01 0.20 -0.07 -0.04 1.99 2.10 2dh3A1 GLU 504 HG2 0.01 -0.07 -0.20 -0.04 2.34 2.03 2dh3A1 GLU 504 HG3 0.01 0.00 -0.12 -0.04 2.34 2.19 2dh3A1 GLY 505 H 0.02 0.69 0.25 -0.55 8.43 8.85 2dh3A1 GLY 505 HA2 0.02 0.02 0.37 -0.51 4.01 3.91 2dh3A1 GLY 505 HA3 0.02 0.12 0.79 -0.51 4.01 4.43 2dh3A1 SER 506 H 0.01 0.24 -0.27 -0.55 8.46 7.90 2dh3A1 SER 506 HA 0.01 0.16 0.63 -0.75 4.49 4.54 2dh3A1 SER 506 HB2 0.00 0.04 0.05 -0.04 3.95 4.01 2dh3A1 SER 506 HB3 0.01 -0.04 -0.02 -0.04 3.93 3.83 2dh3A1 PRO 507 HA 0.01 0.09 0.28 -0.51 4.44 4.31 2dh3A1 PRO 507 HB2 -0.01 0.01 -0.04 -0.04 2.28 2.21 2dh3A1 PRO 507 HB3 -0.01 0.01 -0.08 -0.04 2.02 1.90 2dh3A1 PRO 507 HG2 -0.00 0.01 0.06 -0.04 2.03 2.06 2dh3A1 PRO 507 HG3 0.00 0.06 0.05 -0.04 2.03 2.11 2dh3A1 PRO 507 HD2 -0.00 0.07 0.18 -0.04 3.68 3.89 2dh3A1 PRO 507 HD3 0.00 0.13 0.26 -0.04 3.65 4.00 2dh3A1 LEU 508 H -0.01 0.57 0.32 -0.55 8.37 8.70 2dh3A1 LEU 508 HA -0.02 0.16 0.85 -0.75 4.35 4.58 2dh3A1 LEU 508 HB2 -0.02 0.04 0.05 -0.04 1.64 1.67 2dh3A1 LEU 508 HB3 -0.02 -0.06 0.17 -0.04 1.64 1.69 2dh3A1 LEU 508 HG -0.00 0.06 -0.01 -0.04 1.64 1.65 2dh3A1 LEU 508 HD13 -0.01 -0.01 -0.02 -0.04 0.93 0.85 2dh3A1 LEU 508 HD23 -0.01 0.02 -0.02 -0.04 0.89 0.85 2dh3A1 GLU 509 H -0.03 0.25 0.17 -0.55 8.60 8.44 2dh3A1 GLU 509 HA -0.05 0.33 1.05 -0.75 4.29 4.85 2dh3A1 GLU 509 HB2 -0.03 0.01 -0.03 -0.04 2.09 1.99 2dh3A1 GLU 509 HB3 -0.04 0.03 0.19 -0.04 1.99 2.13 2dh3A1 GLU 509 HG2 -0.05 -0.22 0.00 -0.04 2.34 2.03 2dh3A1 GLU 509 HG3 -0.04 0.22 0.11 -0.04 2.34 2.58 2dh3A1 LEU 510 H -0.08 0.40 0.08 -0.55 8.37 8.23 2dh3A1 LEU 510 HA -0.09 0.05 0.04 -0.75 4.35 3.60 2dh3A1 LEU 510 HB2 -0.11 0.05 -0.04 -0.04 1.64 1.49 2dh3A1 LEU 510 HB3 -0.14 0.02 -0.02 -0.04 1.64 1.46 2dh3A1 LEU 510 HG -0.14 -0.01 -0.22 -0.04 1.64 1.24 2dh3A1 LEU 510 HD13 -0.23 0.06 -0.16 -0.04 0.93 0.55 2dh3A1 LEU 510 HD23 -0.10 -0.02 -0.22 -0.04 0.89 0.52 2dh3A1 GLU 511 H -0.06 0.01 -0.26 -0.55 8.60 7.75 2dh3A1 GLU 511 HA -0.06 0.14 0.55 -0.75 4.29 4.16 2dh3A1 GLU 511 HB2 -0.04 -0.08 0.07 -0.04 2.09 2.00 2dh3A1 GLU 511 HB3 -0.04 -0.01 -0.03 -0.04 1.99 1.87 2dh3A1 GLU 511 HG2 -0.04 -0.02 -0.01 -0.04 2.34 2.23 2dh3A1 GLU 511 HG3 -0.05 0.06 -0.04 -0.04 2.34 2.27 2dh3A1 ARG 512 H -0.04 0.05 -0.10 -0.55 8.46 7.82 2dh3A1 ARG 512 HA -0.03 0.07 0.64 -0.75 4.34 4.26 2dh3A1 ARG 512 HB2 -0.03 0.00 0.19 -0.04 1.90 2.03 2dh3A1 ARG 512 HB3 -0.02 -0.02 0.04 -0.04 1.80 1.76 2dh3A1 ARG 512 HG2 -0.02 0.01 -0.03 -0.04 1.67 1.59 2dh3A1 ARG 512 HG3 -0.03 -0.05 -0.11 -0.04 1.67 1.44 2dh3A1 ARG 512 HD2 -0.02 0.00 -0.02 -0.04 3.22 3.14 2dh3A1 ARG 512 HD3 -0.03 -0.01 0.02 -0.04 3.22 3.16 2dh3A1 LEU 513 H -0.04 0.21 -0.02 -0.55 8.37 7.97 2dh3A1 LEU 513 HA -0.03 0.11 0.87 -0.75 4.35 4.54 2dh3A1 LEU 513 HB2 -0.06 0.17 -0.40 -0.04 1.64 1.31 2dh3A1 LEU 513 HB3 -0.06 -0.07 0.09 -0.04 1.64 1.56 2dh3A1 LEU 513 HG -0.04 -0.02 -0.17 -0.04 1.64 1.36 2dh3A1 LEU 513 HD13 -0.04 0.00 -0.06 -0.04 0.93 0.79 2dh3A1 LEU 513 HD23 -0.07 -0.02 -0.11 -0.04 0.89 0.65 2dh3A1 LYS 514 H -0.02 0.16 0.10 -0.55 8.42 8.10 2dh3A1 LYS 514 HA -0.02 0.20 0.71 -0.75 4.32 4.46 2dh3A1 LYS 514 HB2 -0.01 0.00 -0.03 -0.04 1.87 1.78 2dh3A1 LYS 514 HB3 -0.02 -0.01 0.04 -0.04 1.79 1.76 2dh3A1 LYS 514 HG2 -0.01 0.02 0.06 -0.04 1.46 1.48 2dh3A1 LYS 514 HG3 -0.02 -0.01 0.11 -0.04 1.46 1.50 2dh3A1 LYS 514 HD2 -0.01 0.00 -0.05 -0.04 1.69 1.59 2dh3A1 LYS 514 HD3 -0.01 -0.01 -0.11 -0.04 1.68 1.51 2dh3A1 LYS 514 HE2 -0.01 0.02 -0.01 -0.04 2.99 2.94 2dh3A1 LYS 514 HE3 -0.01 0.01 -0.04 -0.04 2.99 2.92 2dh3A1 LEU 515 H -0.02 0.64 0.35 -0.55 8.37 8.79 2dh3A1 LEU 515 HA -0.02 0.15 0.87 -0.75 4.35 4.60 2dh3A1 LEU 515 HB2 -0.02 -0.06 0.05 -0.04 1.64 1.56 2dh3A1 LEU 515 HB3 -0.03 0.06 -0.07 -0.04 1.64 1.57 2dh3A1 LEU 515 HG -0.03 -0.07 -0.19 -0.04 1.64 1.32 2dh3A1 LEU 515 HD13 -0.03 0.03 -0.10 -0.04 0.93 0.78 2dh3A1 LEU 515 HD23 -0.04 0.06 -0.45 -0.04 0.89 0.43 2dh3A1 GLU 516 H -0.01 0.14 0.06 -0.55 8.60 8.24 2dh3A1 GLU 516 HA -0.02 0.06 0.52 -0.75 4.29 4.10 2dh3A1 GLU 516 HB2 0.00 0.02 -0.02 -0.04 2.09 2.06 2dh3A1 GLU 516 HB3 0.00 0.06 0.06 -0.04 1.99 2.08 2dh3A1 GLU 516 HG2 -0.01 -0.03 -0.01 -0.04 2.34 2.25 2dh3A1 GLU 516 HG3 0.00 0.06 -0.02 -0.04 2.34 2.34 2dh3A1 PRO 517 HA -0.17 0.08 0.25 -0.51 4.44 4.09 2dh3A1 PRO 517 HB2 -0.00 0.02 0.01 -0.04 2.28 2.27 2dh3A1 PRO 517 HB3 -0.24 -0.01 -0.07 -0.04 2.02 1.66 2dh3A1 PRO 517 HG2 -0.01 0.06 -0.03 -0.04 2.03 2.00 2dh3A1 PRO 517 HG3 -0.06 -0.05 -0.38 -0.04 2.03 1.50 2dh3A1 PRO 517 HD2 -0.00 0.10 0.12 -0.04 3.68 3.86 2dh3A1 PRO 517 HD3 -0.02 0.05 0.09 -0.04 3.65 3.73 2dh3A1 HIS 518 H -0.25 0.22 0.12 -0.55 8.41 7.95 2dh3A1 HIS 518 HA -0.06 0.29 0.41 -0.75 4.63 4.52 2dh3A1 HIS 518 HB2 -0.01 0.11 0.10 -0.04 3.26 3.43 2dh3A1 HIS 518 HB3 -0.02 -0.02 0.24 -0.04 3.20 3.36 2dh3A1 HIS 518 HD2 0.04 0.05 0.00 -0.04 6.97 7.01 2dh3A1 HIS 518 HE1 0.02 -0.07 -0.05 -0.04 7.75 7.61 2dh3A1 GLU 519 H -0.02 0.34 -0.23 -0.55 8.60 8.14 2dh3A1 GLU 519 HA 0.00 0.03 0.40 -0.75 4.29 3.98 2dh3A1 GLU 519 HB2 -0.00 0.05 -0.03 -0.04 2.09 2.07 2dh3A1 GLU 519 HB3 -0.02 -0.05 0.05 -0.04 1.99 1.93 2dh3A1 GLU 519 HG2 -0.02 0.03 -0.14 -0.04 2.34 2.17 2dh3A1 GLU 519 HG3 -0.00 -0.09 0.08 -0.04 2.34 2.28 2dh3A1 GLY 520 H -0.02 0.04 0.26 -0.55 8.43 8.16 2dh3A1 GLY 520 HA2 -0.06 0.35 1.04 -0.51 4.01 4.82 2dh3A1 GLY 520 HA3 -0.05 0.04 0.36 -0.51 4.01 3.85 2dh3A1 LEU 521 H -0.06 0.60 0.36 -0.55 8.37 8.72 2dh3A1 LEU 521 HA -0.02 0.21 1.11 -0.75 4.35 4.90 2dh3A1 LEU 521 HB2 -0.04 -0.02 0.09 -0.04 1.64 1.63 2dh3A1 LEU 521 HB3 -0.01 0.03 -0.01 -0.04 1.64 1.61 2dh3A1 LEU 521 HG -0.03 -0.09 -0.20 -0.04 1.64 1.29 2dh3A1 LEU 521 HD13 -0.03 0.02 -0.08 -0.04 0.93 0.80 2dh3A1 LEU 521 HD23 -0.01 0.02 -0.04 -0.04 0.89 0.81 2dh3A1 LEU 522 H 0.01 0.52 0.32 -0.55 8.37 8.66 2dh3A1 LEU 522 HA 0.01 0.30 1.02 -0.75 4.35 4.92 2dh3A1 LEU 522 HB2 -0.01 0.01 -0.07 -0.04 1.64 1.53 2dh3A1 LEU 522 HB3 0.02 -0.03 0.19 -0.04 1.64 1.77 2dh3A1 LEU 522 HG 0.12 -0.08 -0.22 -0.04 1.64 1.42 2dh3A1 LEU 522 HD13 0.02 0.04 -0.09 -0.04 0.93 0.86 2dh3A1 LEU 522 HD23 -0.05 0.01 -0.10 -0.04 0.89 0.71 2dh3A1 LEU 523 H 0.09 0.86 0.34 -0.55 8.37 9.12 2dh3A1 LEU 523 HA 0.10 0.07 1.04 -0.75 4.35 4.81 2dh3A1 LEU 523 HB2 0.13 0.01 0.03 -0.04 1.64 1.77 2dh3A1 LEU 523 HB3 0.16 0.06 -0.18 -0.04 1.64 1.64 2dh3A1 LEU 523 HG 0.04 -0.04 -0.23 -0.04 1.64 1.37 2dh3A1 LEU 523 HD13 0.01 -0.04 -0.30 -0.04 0.93 0.55 2dh3A1 LEU 523 HD23 0.01 0.01 -0.22 -0.04 0.89 0.65 2dh3A1 ARG 524 H 0.08 0.53 0.33 -0.55 8.46 8.85 2dh3A1 ARG 524 HA -0.44 0.35 1.00 -0.75 4.34 4.50 2dh3A1 ARG 524 HB2 -0.29 -0.01 0.06 -0.04 1.90 1.62 2dh3A1 ARG 524 HB3 -0.04 -0.00 0.02 -0.04 1.80 1.73 2dh3A1 ARG 524 HG2 0.05 -0.01 0.00 -0.04 1.67 1.67 2dh3A1 ARG 524 HG3 0.03 -0.05 0.11 -0.04 1.67 1.71 2dh3A1 ARG 524 HD2 0.02 -0.03 -0.06 -0.04 3.22 3.11 2dh3A1 ARG 524 HD3 -0.03 -0.02 -0.09 -0.04 3.22 3.05 2dh3A1 PHE 525 H -0.66 0.63 0.33 -0.55 8.34 8.09 2dh3A1 PHE 525 HA -0.07 0.00 0.34 -0.75 4.62 4.14 2dh3A1 PHE 525 HB2 -0.04 0.09 0.13 -0.04 3.15 3.28 2dh3A1 PHE 525 HB3 -0.05 -0.00 0.30 -0.04 3.06 3.27 2dh3A1 PHE 525 HD2 -0.04 0.12 -0.43 -0.04 7.28 6.88 2dh3A1 PHE 525 HE2 -0.00 0.02 -0.20 -0.04 7.38 7.15 2dh3A1 PHE 525 HZ 0.04 0.01 -0.20 -0.04 7.32 7.13 2dh3A1 PRO 526 HA 0.03 0.03 0.52 -0.51 4.44 4.51 2dh3A1 PRO 526 HB2 0.08 0.13 -0.06 -0.04 2.28 2.39 2dh3A1 PRO 526 HB3 0.06 -0.02 0.12 -0.04 2.02 2.13 2dh3A1 PRO 526 HG2 0.05 0.08 0.09 -0.04 2.03 2.21 2dh3A1 PRO 526 HG3 0.04 0.01 0.09 -0.04 2.03 2.12 2dh3A1 PRO 526 HD2 0.13 0.14 0.20 -0.04 3.68 4.11 2dh3A1 PRO 526 HD3 0.09 0.08 0.22 -0.04 3.65 4.00 2dh3A1 TYR 527 H 0.19 0.10 0.07 -0.55 8.29 8.10 2dh3A1 TYR 527 HA 0.06 0.13 0.33 -0.75 4.56 4.33 2dh3A1 TYR 527 HB2 0.03 0.21 0.00 -0.04 3.06 3.26 2dh3A1 TYR 527 HB3 0.02 -0.07 0.14 -0.04 2.98 3.03 2dh3A1 TYR 527 HD2 0.04 0.02 0.00 -0.04 7.15 7.17 2dh3A1 TYR 527 HE2 0.02 -0.03 -0.05 -0.04 6.85 6.74 2dh3A1 ALA 528 H 0.16 0.03 -0.04 -0.55 8.40 8.00 2dh3A1 ALA 528 HA -0.25 0.04 0.57 -0.75 4.34 3.94 2dh3A1 ALA 528 HB3 0.03 -0.01 0.07 -0.04 1.41 1.47 2dh3A1 ALA 529 H -0.12 0.15 0.07 -0.55 8.40 7.95 2dh3A1 ALA 529 HA -0.02 0.22 0.02 -0.75 4.34 3.80 2dh3A1 ALA 529 HB3 -0.08 0.03 -0.02 -0.04 1.41 1.30