============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. HIS 2 0.900 -40.926 15.671 -70.975 -99.200 -91.000 PHE 9 1.000 -49.827 12.458 -53.177 -99.200 -91.000 HIS 13 0.900 -48.651 9.400 -41.237 -99.200 -91.000 PHE 21 1.000 -47.752 27.854 -43.017 -99.200 -91.000 HIS 25 0.900 -50.617 28.601 -45.596 -99.200 -91.000 TRP 26 1.040 -47.343 25.632 -51.670 -99.200 -91.000 TRP6 26 1.020 -45.962 23.814 -51.069 -99.200 -91.000 PHE 43 1.000 -55.208 14.513 -53.048 -99.200 -91.000 TYR 56 0.840 -53.107 5.275 -37.567 -99.200 -91.000 PHE 65 1.000 -51.885 4.572 -51.595 -99.200 -91.000 TYR 79 0.840 -60.930 8.902 -44.007 -99.200 -91.000 HIS 89 0.900 -59.818 5.208 -58.331 -99.200 -91.000 PHE 91 1.000 -52.854 13.001 -56.967 -99.200 -91.000 TYR 100 0.840 -50.575 13.691 -61.379 -99.200 -91.000 PHE 104 1.000 -40.623 16.370 -55.235 -99.200 -91.000 HIS 107 0.900 -44.692 11.160 -44.297 -99.200 -91.000 PHE 125 1.000 -35.148 11.462 -62.908 -99.200 -91.000 PHE 129 1.000 -33.379 11.232 -53.241 -99.200 -91.000 HIS 130 0.900 -24.328 15.481 -56.737 -99.200 -91.000 TYR 131 0.840 -30.320 21.428 -58.212 -99.200 -91.000 TYR 142 0.840 -26.769 13.034 -42.407 -99.200 -91.000 TYR 144 0.840 -34.101 5.251 -43.483 -99.200 -91.000 HIS 148 0.900 -39.664 -2.895 -48.485 -99.200 -91.000 TYR 153 0.840 -40.021 -0.646 -51.866 -99.200 -91.000 TYR 162 0.840 -39.727 7.312 -62.440 -99.200 -91.000 HIS 188 0.900 -31.648 23.922 -53.585 -99.200 -91.000 PHE 192 1.000 -33.637 17.995 -60.964 -99.200 -91.000 HIS 194 0.900 -38.769 26.725 -64.762 -99.200 -91.000 HIS 195 0.900 -33.146 25.768 -64.770 -99.200 -91.000 PHE 196 1.000 -34.836 15.620 -66.743 -99.200 -91.000 PHE 202 1.000 -28.782 18.062 -63.952 -99.200 -91.000 TYR 210 0.840 -26.235 7.464 -43.308 -99.200 -91.000 TYR 218 0.840 -37.645 2.154 -25.524 -99.200 -91.000 HIS 231 0.900 -26.302 7.431 -21.937 -99.200 -91.000 TRP 239 1.040 -29.048 11.541 -40.063 -99.200 -91.000 TRP6 239 1.020 -29.838 9.741 -41.379 -99.200 -91.000 HIS 243 0.900 -17.490 3.768 -32.773 -99.200 -91.000 PHE 248 1.000 -31.684 0.569 -25.557 -99.200 -91.000 TYR 265 0.840 -22.062 6.237 -39.282 -99.200 -91.000 PHE 268 1.000 -37.236 7.733 -39.107 -99.200 -91.000 TYR 274 0.840 -41.518 5.320 -36.552 -99.200 -91.000 TYR 275 0.840 -41.372 6.422 -27.074 -99.200 -91.000 PHE 281 1.000 -30.579 3.009 -31.746 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2q51A3 GLU 9 HA -0.02 -0.03 0.23 -0.75 4.29 3.71 2q51A3 GLU 9 HB2 -0.05 -0.02 0.15 -0.04 2.09 2.14 2q51A3 GLU 9 HB3 0.01 -0.01 0.06 -0.04 1.99 2.01 2q51A3 GLU 9 HG2 -0.02 -0.02 0.06 -0.04 2.34 2.32 2q51A3 GLU 9 HG3 -0.00 -0.01 0.04 -0.04 2.34 2.32 2q51A3 HIS 10 H 0.03 0.21 0.15 -0.55 8.41 8.25 2q51A3 HIS 10 HA 0.03 0.14 0.54 -0.75 4.63 4.58 2q51A3 HIS 10 HB2 -0.03 0.03 -0.30 -0.04 3.26 2.91 2q51A3 HIS 10 HB3 -0.03 -0.05 -0.07 -0.04 3.20 3.01 2q51A3 HIS 10 HD2 -0.03 -0.04 -0.04 -0.04 6.97 6.82 2q51A3 HIS 10 HE1 -0.05 0.08 0.10 -0.04 7.75 7.84 2q51A3 ILE 11 H -0.19 0.23 0.03 -0.55 8.25 7.77 2q51A3 ILE 11 HA -0.11 0.13 0.76 -0.75 4.18 4.22 2q51A3 ILE 11 HB 0.27 -0.03 0.04 -0.04 1.89 2.13 2q51A3 ILE 11 HG12 -0.05 -0.02 -0.40 -0.04 1.49 0.98 2q51A3 ILE 11 HG13 -0.08 -0.02 -0.11 -0.04 1.21 0.95 2q51A3 ILE 11 HG23 -0.01 -0.00 -0.12 -0.04 0.93 0.76 2q51A3 ILE 11 HD13 -0.28 0.05 0.03 -0.04 0.88 0.64 2q51A3 GLN 12 H -0.15 0.14 -0.03 -0.55 8.47 7.88 2q51A3 GLN 12 HA -0.19 0.21 0.81 -0.75 4.36 4.43 2q51A3 GLN 12 HB2 -0.24 0.02 0.03 -0.04 2.15 1.92 2q51A3 GLN 12 HB3 -0.14 0.06 0.20 -0.04 2.02 2.11 2q51A3 GLN 12 HG2 -0.14 -0.11 0.21 -0.04 2.40 2.32 2q51A3 GLN 12 HG3 -0.12 0.07 0.11 -0.04 2.39 2.41 2q51A3 GLN 12 HE21 -0.03 -0.00 0.03 -0.04 6.97 6.92 2q51A3 GLN 12 HE22 -0.05 0.02 0.04 -0.04 7.69 7.67 2q51A3 LYS 13 H -0.16 0.13 0.16 -0.55 8.42 7.99 2q51A3 LYS 13 HA -0.16 0.04 0.44 -0.75 4.32 3.89 2q51A3 LYS 13 HB2 -0.30 -0.02 0.22 -0.04 1.87 1.73 2q51A3 LYS 13 HB3 -1.43 0.04 0.11 -0.04 1.79 0.47 2q51A3 LYS 13 HG2 -0.43 -0.01 0.13 -0.04 1.46 1.11 2q51A3 LYS 13 HG3 -0.29 -0.00 0.12 -0.04 1.46 1.24 2q51A3 LYS 13 HD2 -1.58 -0.00 0.01 -0.04 1.69 0.08 2q51A3 LYS 13 HD3 -0.50 -0.02 0.01 -0.04 1.68 1.13 2q51A3 LYS 13 HE2 -0.17 -0.05 -0.05 -0.04 2.99 2.67 2q51A3 LYS 13 HE3 -0.20 0.24 -0.20 -0.04 2.99 2.80 2q51A3 VAL 14 H 0.16 0.26 0.27 -0.55 8.24 8.38 2q51A3 VAL 14 HA 0.18 0.22 1.13 -0.75 4.13 4.91 2q51A3 VAL 14 HB 0.10 -0.01 0.10 -0.04 2.12 2.27 2q51A3 VAL 14 HG13 0.22 -0.02 -0.19 -0.04 0.97 0.94 2q51A3 VAL 14 HG23 0.06 0.11 -0.08 -0.04 0.95 0.99 2q51A3 ALA 15 H 0.06 0.46 0.28 -0.55 8.40 8.65 2q51A3 ALA 15 HA 0.09 0.23 1.12 -0.75 4.34 5.02 2q51A3 ALA 15 HB3 -0.41 -0.01 0.01 -0.04 1.41 0.96 2q51A3 ILE 16 H 0.12 0.58 0.16 -0.55 8.25 8.55 2q51A3 ILE 16 HA 0.17 0.24 1.05 -0.75 4.18 4.88 2q51A3 ILE 16 HB 0.16 -0.04 0.07 -0.04 1.89 2.03 2q51A3 ILE 16 HG12 0.08 0.04 -0.01 -0.04 1.49 1.55 2q51A3 ILE 16 HG13 0.10 -0.04 -0.37 -0.04 1.21 0.87 2q51A3 ILE 16 HG23 0.37 -0.01 -0.18 -0.04 0.93 1.06 2q51A3 ILE 16 HD13 -0.29 0.01 -0.14 -0.04 0.88 0.42 2q51A3 PHE 17 H 0.13 0.54 0.25 -0.55 8.34 8.70 2q51A3 PHE 17 HA 0.08 0.29 0.95 -0.75 4.62 5.18 2q51A3 PHE 17 HB2 0.04 -0.07 0.17 -0.04 3.15 3.25 2q51A3 PHE 17 HB3 0.04 -0.13 -0.02 -0.04 3.06 2.91 2q51A3 PHE 17 HD2 -0.09 -0.03 -0.23 -0.04 7.28 6.89 2q51A3 PHE 17 HE2 -1.02 0.05 -0.17 -0.04 7.38 6.20 2q51A3 PHE 17 HZ -1.05 0.07 -0.11 -0.04 7.32 6.19 2q51A3 GLY 18 H 0.14 0.72 0.41 -0.55 8.43 9.16 2q51A3 GLY 18 HA2 0.08 0.08 0.90 -0.51 4.01 4.55 2q51A3 GLY 18 HA3 0.09 0.19 0.23 -0.51 4.01 4.01 2q51A3 GLY 19 H -0.01 0.20 0.13 -0.55 8.43 8.20 2q51A3 GLY 19 HA2 0.01 0.20 0.16 -0.51 4.01 3.87 2q51A3 GLY 19 HA3 -0.02 0.20 0.57 -0.51 4.01 4.25 2q51A3 THR 20 H -0.01 0.20 -0.02 -0.55 8.28 7.90 2q51A3 THR 20 HA -0.00 0.02 0.41 -0.75 4.39 4.07 2q51A3 THR 20 HB 0.05 0.09 0.11 -0.04 4.32 4.53 2q51A3 THR 20 HG23 0.24 -0.01 -0.01 -0.04 1.22 1.40 2q51A3 HIS 21 H 0.14 0.08 -0.47 -0.55 8.41 7.61 2q51A3 HIS 21 HA 0.09 0.44 0.88 -0.75 4.63 5.29 2q51A3 HIS 21 HB2 0.05 -0.08 0.20 -0.04 3.26 3.40 2q51A3 HIS 21 HB3 0.06 -0.06 0.20 -0.04 3.20 3.35 2q51A3 HIS 21 HD2 0.11 -0.12 -0.25 -0.04 6.97 6.67 2q51A3 HIS 21 HE1 0.22 -0.06 -0.01 -0.04 7.75 7.87 2q51A3 GLY 22 H 0.04 0.20 -0.00 -0.55 8.43 8.12 2q51A3 GLY 22 HA2 0.01 -0.01 0.19 -0.51 4.01 3.70 2q51A3 GLY 22 HA3 0.01 0.26 -0.48 -0.51 4.01 3.29 2q51A3 ASN 23 H 0.05 0.01 -0.67 -0.55 8.53 7.38 2q51A3 ASN 23 HA 0.00 0.32 0.81 -0.75 4.76 5.14 2q51A3 ASN 23 HB2 -0.02 -0.02 -0.03 -0.04 2.88 2.77 2q51A3 ASN 23 HB3 -0.02 0.13 -0.51 -0.04 2.79 2.35 2q51A3 ASN 23 HD21 -0.04 -0.05 -0.08 -0.04 7.03 6.82 2q51A3 ASN 23 HD22 -0.04 0.12 -0.09 -0.04 7.74 7.69 2q51A3 GLU 24 H 0.05 0.36 -0.03 -0.55 8.60 8.43 2q51A3 GLU 24 HA 0.01 0.06 0.62 -0.75 4.29 4.23 2q51A3 GLU 24 HB2 0.05 0.11 0.26 -0.04 2.09 2.47 2q51A3 GLU 24 HB3 0.02 -0.05 0.05 -0.04 1.99 1.97 2q51A3 GLU 24 HG2 0.03 0.02 0.12 -0.04 2.34 2.47 2q51A3 GLU 24 HG3 0.01 -0.03 0.03 -0.04 2.34 2.30 2q51A3 LEU 25 H 0.00 0.27 0.17 -0.55 8.37 8.26 2q51A3 LEU 25 HA 0.02 0.28 0.75 -0.75 4.35 4.64 2q51A3 LEU 25 HB2 -0.00 0.14 0.05 -0.04 1.64 1.78 2q51A3 LEU 25 HB3 0.03 -0.07 -0.02 -0.04 1.64 1.54 2q51A3 LEU 25 HG 0.00 0.08 -0.14 -0.04 1.64 1.54 2q51A3 LEU 25 HD13 0.01 -0.01 -0.38 -0.04 0.93 0.50 2q51A3 LEU 25 HD23 0.01 -0.02 -0.45 -0.04 0.89 0.40 2q51A3 THR 26 H -0.01 0.11 -0.06 -0.55 8.28 7.78 2q51A3 THR 26 HA -0.06 0.07 0.24 -0.75 4.39 3.88 2q51A3 THR 26 HB -0.00 -0.00 -0.02 -0.04 4.32 4.25 2q51A3 THR 26 HG23 -0.07 0.04 -0.14 -0.04 1.22 1.01 2q51A3 GLY 27 H 0.01 0.07 -0.23 -0.55 8.43 7.73 2q51A3 GLY 27 HA2 -0.01 0.14 0.27 -0.51 4.01 3.90 2q51A3 GLY 27 HA3 0.02 -0.06 0.26 -0.51 4.01 3.72 2q51A3 VAL 28 H 0.01 0.19 -0.47 -0.55 8.24 7.42 2q51A3 VAL 28 HA -0.01 0.00 0.34 -0.75 4.13 3.71 2q51A3 VAL 28 HB 0.04 0.02 0.16 -0.04 2.12 2.29 2q51A3 VAL 28 HG13 -0.01 0.01 -0.06 -0.04 0.97 0.87 2q51A3 VAL 28 HG23 0.01 0.01 -0.02 -0.04 0.95 0.91 2q51A3 PHE 29 H 0.14 0.37 0.03 -0.55 8.34 8.33 2q51A3 PHE 29 HA 0.08 -0.01 0.32 -0.75 4.62 4.26 2q51A3 PHE 29 HB2 -0.05 -0.01 0.10 -0.04 3.15 3.15 2q51A3 PHE 29 HB3 -0.13 0.12 0.16 -0.04 3.06 3.17 2q51A3 PHE 29 HD2 -0.21 -0.00 -0.07 -0.04 7.28 6.96 2q51A3 PHE 29 HE2 -0.28 0.01 -0.05 -0.04 7.38 7.01 2q51A3 PHE 29 HZ -0.29 -0.00 -0.04 -0.04 7.32 6.95 2q51A3 LEU 30 H 0.10 0.32 -0.06 -0.55 8.37 8.19 2q51A3 LEU 30 HA -0.62 -0.01 0.38 -0.75 4.35 3.35 2q51A3 LEU 30 HB2 -0.57 0.04 0.01 -0.04 1.64 1.08 2q51A3 LEU 30 HB3 -2.07 0.02 -0.04 -0.04 1.64 -0.48 2q51A3 LEU 30 HG -0.11 -0.05 0.04 -0.04 1.64 1.49 2q51A3 LEU 30 HD13 -0.08 0.03 -0.02 -0.04 0.93 0.82 2q51A3 LEU 30 HD23 -0.16 -0.01 -0.01 -0.04 0.89 0.67 2q51A3 VAL 31 H -0.21 0.54 -0.27 -0.55 8.24 7.75 2q51A3 VAL 31 HA 0.17 0.02 0.51 -0.75 4.13 4.07 2q51A3 VAL 31 HB 0.02 0.25 0.21 -0.04 2.12 2.55 2q51A3 VAL 31 HG13 0.10 -0.03 -0.31 -0.04 0.97 0.69 2q51A3 VAL 31 HG23 0.28 -0.05 -0.05 -0.04 0.95 1.09 2q51A3 LYS 32 H -0.06 0.91 0.11 -0.55 8.42 8.82 2q51A3 LYS 32 HA -0.04 -0.03 0.40 -0.75 4.32 3.89 2q51A3 LYS 32 HB2 -0.12 0.14 0.03 -0.04 1.87 1.88 2q51A3 LYS 32 HB3 -0.19 -0.04 -0.08 -0.04 1.79 1.44 2q51A3 LYS 32 HG2 -0.07 -0.03 0.01 -0.04 1.46 1.33 2q51A3 LYS 32 HG3 -0.06 -0.04 -0.02 -0.04 1.46 1.30 2q51A3 LYS 32 HD2 -0.07 -0.02 -0.09 -0.04 1.69 1.47 2q51A3 LYS 32 HD3 -0.11 -0.00 -0.05 -0.04 1.68 1.48 2q51A3 LYS 32 HE2 -0.06 -0.02 -0.03 -0.04 2.99 2.84 2q51A3 LYS 32 HE3 -0.05 -0.03 -0.04 -0.04 2.99 2.84 2q51A3 HIS 33 H -0.09 0.73 -0.18 -0.55 8.41 8.33 2q51A3 HIS 33 HA -0.16 -0.03 0.38 -0.75 4.63 4.07 2q51A3 HIS 33 HB2 -0.49 0.12 0.14 -0.04 3.26 2.99 2q51A3 HIS 33 HB3 -0.21 -0.05 -0.01 -0.04 3.20 2.88 2q51A3 HIS 33 HD2 -0.24 -0.02 -0.01 -0.04 6.97 6.65 2q51A3 HIS 33 HE1 -1.27 -0.07 -0.03 -0.04 7.75 6.34 2q51A3 TRP 34 H -0.05 0.69 -0.07 -0.55 7.97 7.99 2q51A3 TRP 34 HA 0.06 0.14 0.17 -0.75 4.62 4.23 2q51A3 TRP 34 HB2 0.07 0.04 0.19 -0.04 3.23 3.49 2q51A3 TRP 34 HB3 0.06 -0.06 -0.02 -0.04 3.23 3.17 2q51A3 TRP 34 HD1 0.06 0.11 0.02 -0.04 7.22 7.36 2q51A3 TRP 34 HE1 0.04 -0.03 -0.08 -0.04 10.20 10.09 2q51A3 TRP 34 HE3 0.07 -0.05 -0.11 -0.04 7.59 7.46 2q51A3 TRP 34 HZ2 0.02 0.05 -0.07 -0.04 7.44 7.40 2q51A3 TRP 34 HZ3 0.05 -0.05 -0.13 -0.04 7.13 6.95 2q51A3 TRP 34 HH2 0.01 0.04 -0.08 -0.04 7.19 7.11 2q51A3 LEU 35 H 0.19 0.63 -0.18 -0.55 8.37 8.46 2q51A3 LEU 35 HA 0.15 -0.01 0.34 -0.75 4.35 4.08 2q51A3 LEU 35 HB2 0.04 0.21 0.11 -0.04 1.64 1.96 2q51A3 LEU 35 HB3 0.06 -0.09 0.00 -0.04 1.64 1.57 2q51A3 LEU 35 HG 0.13 0.13 -0.02 -0.04 1.64 1.84 2q51A3 LEU 35 HD13 0.01 -0.06 -0.04 -0.04 0.93 0.79 2q51A3 LEU 35 HD23 0.15 0.03 0.01 -0.04 0.89 1.04 2q51A3 GLU 36 H 0.06 0.35 -0.62 -0.55 8.60 7.85 2q51A3 GLU 36 HA 0.03 0.02 0.67 -0.75 4.29 4.25 2q51A3 GLU 36 HB2 -0.02 0.21 0.23 -0.04 2.09 2.47 2q51A3 GLU 36 HB3 -0.00 -0.11 0.01 -0.04 1.99 1.85 2q51A3 GLU 36 HG2 -0.02 -0.05 0.02 -0.04 2.34 2.25 2q51A3 GLU 36 HG3 -0.05 0.08 -0.01 -0.04 2.34 2.31 2q51A3 ASN 37 H 0.14 0.70 0.14 -0.55 8.53 8.96 2q51A3 ASN 37 HA 0.08 0.10 0.88 -0.75 4.76 5.07 2q51A3 ASN 37 HB2 0.08 0.02 -0.04 -0.04 2.88 2.90 2q51A3 ASN 37 HB3 0.14 -0.02 0.21 -0.04 2.79 3.08 2q51A3 ASN 37 HD21 0.05 -0.02 0.02 -0.04 7.03 7.05 2q51A3 ASN 37 HD22 0.06 0.02 0.01 -0.04 7.74 7.78 2q51A3 GLY 38 H 0.09 0.23 0.06 -0.55 8.43 8.26 2q51A3 GLY 38 HA2 0.09 0.12 0.59 -0.51 4.01 4.31 2q51A3 GLY 38 HA3 0.03 0.11 0.36 -0.51 4.01 4.00 2q51A3 ALA 39 H 0.08 0.03 -0.58 -0.55 8.40 7.39 2q51A3 ALA 39 HA 0.01 0.07 0.41 -0.75 4.34 4.07 2q51A3 ALA 39 HB3 0.05 0.01 0.04 -0.04 1.41 1.47 2q51A3 GLU 40 H 0.13 0.17 -0.18 -0.55 8.60 8.16 2q51A3 GLU 40 HA 0.06 0.04 0.24 -0.75 4.29 3.88 2q51A3 GLU 40 HB2 0.23 -0.06 0.08 -0.04 2.09 2.31 2q51A3 GLU 40 HB3 0.45 0.05 -0.01 -0.04 1.99 2.45 2q51A3 GLU 40 HG2 0.38 0.05 -0.03 -0.04 2.34 2.69 2q51A3 GLU 40 HG3 0.17 0.00 0.13 -0.04 2.34 2.60 2q51A3 ILE 41 H -0.15 0.24 -0.86 -0.55 8.25 6.93 2q51A3 ILE 41 HA -0.21 0.16 0.87 -0.75 4.18 4.25 2q51A3 ILE 41 HB -0.62 -0.04 -0.07 -0.04 1.89 1.12 2q51A3 ILE 41 HG12 -0.68 -0.13 -0.06 -0.04 1.49 0.58 2q51A3 ILE 41 HG13 -0.35 0.12 -0.00 -0.04 1.21 0.93 2q51A3 ILE 41 HG23 -1.28 -0.04 -0.41 -0.04 0.93 -0.84 2q51A3 ILE 41 HD13 -0.81 -0.02 -0.10 -0.04 0.88 -0.10 2q51A3 GLN 42 H -0.14 0.43 0.26 -0.55 8.47 8.48 2q51A3 GLN 42 HA -0.10 -0.06 0.53 -0.75 4.36 3.97 2q51A3 GLN 42 HB2 -0.06 -0.01 0.13 -0.04 2.15 2.16 2q51A3 GLN 42 HB3 -0.06 -0.02 0.08 -0.04 2.02 1.97 2q51A3 GLN 42 HG2 -0.06 0.29 0.11 -0.04 2.40 2.70 2q51A3 GLN 42 HG3 -0.02 -0.11 -0.02 -0.04 2.39 2.20 2q51A3 GLN 42 HE21 0.02 0.08 0.05 -0.04 6.97 7.08 2q51A3 GLN 42 HE22 0.01 -0.08 0.08 -0.04 7.69 7.66 2q51A3 ARG 43 H -0.11 0.86 0.42 -0.55 8.46 9.08 2q51A3 ARG 43 HA -0.22 0.21 1.06 -0.75 4.34 4.64 2q51A3 ARG 43 HB2 -0.15 -0.03 0.11 -0.04 1.90 1.79 2q51A3 ARG 43 HB3 -0.45 -0.02 0.03 -0.04 1.80 1.32 2q51A3 ARG 43 HG2 -0.09 0.21 -0.23 -0.04 1.67 1.53 2q51A3 ARG 43 HG3 -0.02 -0.09 0.05 -0.04 1.67 1.57 2q51A3 ARG 43 HD2 -0.03 -0.15 0.09 -0.04 3.22 3.09 2q51A3 ARG 43 HD3 -0.07 0.27 0.04 -0.04 3.22 3.42 2q51A3 THR 44 H -0.64 0.18 0.12 -0.55 8.28 7.38 2q51A3 THR 44 HA -0.15 -0.02 0.38 -0.75 4.39 3.84 2q51A3 THR 44 HB -0.23 0.02 0.16 -0.04 4.32 4.23 2q51A3 THR 44 HG23 0.03 0.00 -0.10 -0.04 1.22 1.12 2q51A3 GLY 45 H -0.09 0.07 0.25 -0.55 8.43 8.11 2q51A3 GLY 45 HA2 -0.04 -0.05 0.37 -0.51 4.01 3.77 2q51A3 GLY 45 HA3 -0.04 0.09 0.50 -0.51 4.01 4.05 2q51A3 LEU 46 H -0.15 1.15 -0.37 -0.55 8.37 8.45 2q51A3 LEU 46 HA -0.05 0.13 0.90 -0.75 4.35 4.58 2q51A3 LEU 46 HB2 -0.07 0.10 -0.17 -0.04 1.64 1.45 2q51A3 LEU 46 HB3 -0.15 -0.14 0.01 -0.04 1.64 1.31 2q51A3 LEU 46 HG -0.04 -0.04 -0.40 -0.04 1.64 1.12 2q51A3 LEU 46 HD13 -0.02 0.01 -0.05 -0.04 0.93 0.83 2q51A3 LEU 46 HD23 -0.01 0.00 -0.14 -0.04 0.89 0.71 2q51A3 GLU 47 H -0.03 0.20 0.07 -0.55 8.60 8.30 2q51A3 GLU 47 HA -0.02 0.08 0.74 -0.75 4.29 4.33 2q51A3 GLU 47 HB2 -0.01 -0.01 0.04 -0.04 2.09 2.07 2q51A3 GLU 47 HB3 0.01 -0.02 0.17 -0.04 1.99 2.11 2q51A3 GLU 47 HG2 0.05 -0.01 -0.07 -0.04 2.34 2.27 2q51A3 GLU 47 HG3 0.04 0.07 -0.10 -0.04 2.34 2.31 2q51A3 VAL 48 H -0.02 0.17 0.20 -0.55 8.24 8.04 2q51A3 VAL 48 HA 0.07 0.33 0.99 -0.75 4.13 4.76 2q51A3 VAL 48 HB -0.12 -0.04 -0.05 -0.04 2.12 1.86 2q51A3 VAL 48 HG13 -0.02 -0.01 -0.24 -0.04 0.97 0.66 2q51A3 VAL 48 HG23 -0.06 0.03 -0.16 -0.04 0.95 0.71 2q51A3 LYS 49 H 0.18 0.57 0.31 -0.55 8.42 8.93 2q51A3 LYS 49 HA 0.15 0.23 0.95 -0.75 4.32 4.90 2q51A3 LYS 49 HB2 0.26 -0.03 -0.03 -0.04 1.87 2.03 2q51A3 LYS 49 HB3 0.33 -0.03 0.14 -0.04 1.79 2.20 2q51A3 LYS 49 HG2 0.38 -0.03 -0.30 -0.04 1.46 1.47 2q51A3 LYS 49 HG3 0.26 0.08 -0.01 -0.04 1.46 1.75 2q51A3 LYS 49 HD2 0.33 -0.01 -0.05 -0.04 1.69 1.93 2q51A3 LYS 49 HD3 0.26 -0.02 -0.05 -0.04 1.68 1.83 2q51A3 LYS 49 HE2 0.17 0.02 -0.02 -0.04 2.99 3.13 2q51A3 LYS 49 HE3 0.23 -0.02 -0.04 -0.04 2.99 3.12 2q51A3 PRO 50 HA 0.29 0.26 0.73 -0.51 4.44 5.21 2q51A3 PRO 50 HB2 0.33 0.01 0.01 -0.04 2.28 2.59 2q51A3 PRO 50 HB3 0.43 0.02 0.06 -0.04 2.02 2.49 2q51A3 PRO 50 HG2 0.22 -0.00 0.06 -0.04 2.03 2.27 2q51A3 PRO 50 HG3 0.26 0.03 -0.21 -0.04 2.03 2.07 2q51A3 PRO 50 HD2 0.15 0.09 0.30 -0.04 3.68 4.18 2q51A3 PRO 50 HD3 0.08 0.21 0.06 -0.04 3.65 3.95 2q51A3 PHE 51 H 0.33 0.43 0.33 -0.55 8.34 8.87 2q51A3 PHE 51 HA 0.10 0.12 0.70 -0.75 4.62 4.79 2q51A3 PHE 51 HB2 0.15 0.13 -0.36 -0.04 3.15 3.03 2q51A3 PHE 51 HB3 -0.11 -0.10 -0.02 -0.04 3.06 2.79 2q51A3 PHE 51 HD2 -0.33 -0.02 -0.13 -0.04 7.28 6.77 2q51A3 PHE 51 HE2 -0.02 -0.02 -0.06 -0.04 7.38 7.23 2q51A3 PHE 51 HZ 0.05 -0.02 -0.05 -0.04 7.32 7.26 2q51A3 ILE 52 H -0.52 0.22 0.06 -0.55 8.25 7.46 2q51A3 ILE 52 HA -0.15 0.47 0.86 -0.75 4.18 4.61 2q51A3 ILE 52 HB -0.25 0.00 0.14 -0.04 1.89 1.74 2q51A3 ILE 52 HG12 -0.07 -0.01 -0.13 -0.04 1.49 1.24 2q51A3 ILE 52 HG13 -0.08 0.01 -0.05 -0.04 1.21 1.04 2q51A3 ILE 52 HG23 -0.12 -0.02 -0.25 -0.04 0.93 0.49 2q51A3 ILE 52 HD13 -0.04 0.05 -0.12 -0.04 0.88 0.74 2q51A3 THR 53 H -0.18 0.19 -0.05 -0.55 8.28 7.69 2q51A3 THR 53 HA -0.16 0.13 0.28 -0.75 4.39 3.89 2q51A3 THR 53 HB -0.07 0.01 -0.06 -0.04 4.32 4.16 2q51A3 THR 53 HG23 -0.49 0.03 -0.07 -0.04 1.22 0.65 2q51A3 ASN 54 H -0.05 0.26 -0.27 -0.55 8.53 7.92 2q51A3 ASN 54 HA 0.07 0.26 1.01 -0.75 4.76 5.35 2q51A3 ASN 54 HB2 0.04 0.01 0.05 -0.04 2.88 2.94 2q51A3 ASN 54 HB3 0.02 0.18 0.15 -0.04 2.79 3.10 2q51A3 ASN 54 HD21 0.22 -0.18 0.09 -0.04 7.03 7.12 2q51A3 ASN 54 HD22 0.09 0.12 0.16 -0.04 7.74 8.07 2q51A3 PRO 55 HA -0.03 0.11 0.32 -0.51 4.44 4.33 2q51A3 PRO 55 HB2 0.06 -0.02 0.05 -0.04 2.28 2.33 2q51A3 PRO 55 HB3 -0.02 0.08 0.05 -0.04 2.02 2.09 2q51A3 PRO 55 HG2 -0.00 0.06 0.06 -0.04 2.03 2.11 2q51A3 PRO 55 HG3 -0.11 0.22 -0.00 -0.04 2.03 2.10 2q51A3 PRO 55 HD2 0.20 -0.04 0.17 -0.04 3.68 3.97 2q51A3 PRO 55 HD3 -0.00 0.59 -0.03 -0.04 3.65 4.17 2q51A3 ARG 56 H 0.13 0.18 -0.08 -0.55 8.46 8.14 2q51A3 ARG 56 HA -0.08 0.18 0.51 -0.75 4.34 4.19 2q51A3 ARG 56 HB2 -0.72 -0.02 0.08 -0.04 1.90 1.19 2q51A3 ARG 56 HB3 -0.38 0.02 -0.04 -0.04 1.80 1.36 2q51A3 ARG 56 HG2 -0.17 0.05 0.05 -0.04 1.67 1.55 2q51A3 ARG 56 HG3 -0.12 0.03 0.03 -0.04 1.67 1.56 2q51A3 ARG 56 HD2 -0.19 0.06 0.02 -0.04 3.22 3.06 2q51A3 ARG 56 HD3 -1.21 -0.03 0.02 -0.04 3.22 1.97 2q51A3 ALA 57 H 0.02 0.20 -0.26 -0.55 8.40 7.81 2q51A3 ALA 57 HA -0.03 0.09 0.29 -0.75 4.34 3.93 2q51A3 ALA 57 HB3 0.04 0.05 -0.05 -0.04 1.41 1.40 2q51A3 VAL 58 H -0.01 0.22 -0.56 -0.55 8.24 7.34 2q51A3 VAL 58 HA -0.01 0.20 0.77 -0.75 4.13 4.34 2q51A3 VAL 58 HB -0.03 0.14 0.09 -0.04 2.12 2.29 2q51A3 VAL 58 HG13 -0.02 0.01 0.04 -0.04 0.97 0.96 2q51A3 VAL 58 HG23 -0.02 0.06 -0.04 -0.04 0.95 0.91 2q51A3 LYS 59 H -0.04 0.01 -0.19 -0.55 8.42 7.64 2q51A3 LYS 59 HA -0.03 0.15 0.71 -0.75 4.32 4.40 2q51A3 LYS 59 HB2 -0.04 0.01 0.10 -0.04 1.87 1.90 2q51A3 LYS 59 HB3 -0.06 -0.04 0.26 -0.04 1.79 1.91 2q51A3 LYS 59 HG2 -0.04 0.01 -0.23 -0.04 1.46 1.16 2q51A3 LYS 59 HG3 -0.03 0.02 0.03 -0.04 1.46 1.43 2q51A3 LYS 59 HD2 -0.03 -0.00 -0.01 -0.04 1.69 1.60 2q51A3 LYS 59 HD3 -0.05 -0.05 -0.01 -0.04 1.68 1.54 2q51A3 LYS 59 HE2 -0.03 0.00 -0.04 -0.04 2.99 2.88 2q51A3 LYS 59 HE3 -0.03 0.02 -0.01 -0.04 2.99 2.92 2q51A3 LYS 60 H -0.06 0.65 0.15 -0.55 8.42 8.61 2q51A3 LYS 60 HA -0.04 0.07 0.42 -0.75 4.32 4.02 2q51A3 LYS 60 HB2 -0.06 -0.07 -0.09 -0.04 1.87 1.62 2q51A3 LYS 60 HB3 -0.05 0.00 0.00 -0.04 1.79 1.71 2q51A3 LYS 60 HG2 -0.08 0.01 0.05 -0.04 1.46 1.39 2q51A3 LYS 60 HG3 -0.07 -0.04 -0.01 -0.04 1.46 1.29 2q51A3 LYS 60 HD2 -0.04 -0.00 0.01 -0.04 1.69 1.61 2q51A3 LYS 60 HD3 -0.05 0.07 -0.04 -0.04 1.68 1.62 2q51A3 LYS 60 HE2 -0.06 -0.01 -0.03 -0.04 2.99 2.84 2q51A3 LYS 60 HE3 -0.07 -0.03 -0.01 -0.04 2.99 2.84 2q51A3 CYS 61 H -0.03 -0.08 -0.97 -0.55 8.50 6.86 2q51A3 CYS 61 HA -0.02 0.21 0.13 -0.75 4.58 4.15 2q51A3 CYS 61 HB2 -0.02 0.10 -0.24 -0.04 2.97 2.76 2q51A3 CYS 61 HB3 -0.03 0.22 -0.12 -0.04 2.97 3.00 2q51A3 THR 62 H -0.02 0.59 0.09 -0.55 8.28 8.39 2q51A3 THR 62 HA -0.05 0.16 0.45 -0.75 4.39 4.19 2q51A3 THR 62 HB -0.08 0.25 -0.14 -0.04 4.32 4.31 2q51A3 THR 62 HG23 -0.07 -0.04 -0.21 -0.04 1.22 0.86 2q51A3 ARG 63 H -0.15 0.22 0.13 -0.55 8.46 8.11 2q51A3 ARG 63 HA 0.17 -0.02 0.49 -0.75 4.34 4.23 2q51A3 ARG 63 HB2 -0.12 0.06 0.16 -0.04 1.90 1.96 2q51A3 ARG 63 HB3 -0.43 -0.01 0.07 -0.04 1.80 1.39 2q51A3 ARG 63 HG2 0.83 -0.04 0.06 -0.04 1.67 2.48 2q51A3 ARG 63 HG3 0.18 -0.01 0.08 -0.04 1.67 1.88 2q51A3 ARG 63 HD2 0.03 0.03 0.06 -0.04 3.22 3.30 2q51A3 ARG 63 HD3 0.22 -0.00 0.01 -0.04 3.22 3.41 2q51A3 TYR 64 H -0.45 0.20 -0.01 -0.55 8.29 7.49 2q51A3 TYR 64 HA -0.00 0.14 0.36 -0.75 4.56 4.30 2q51A3 TYR 64 HB2 0.03 -0.18 0.20 -0.04 3.06 3.07 2q51A3 TYR 64 HB3 -0.03 0.20 -0.07 -0.04 2.98 3.04 2q51A3 TYR 64 HD2 0.07 -0.02 -0.33 -0.04 7.15 6.82 2q51A3 TYR 64 HE2 0.07 0.14 -0.24 -0.04 6.85 6.77 2q51A3 ILE 65 H 0.28 0.09 0.16 -0.55 8.25 8.24 2q51A3 ILE 65 HA 0.06 0.31 0.93 -0.75 4.18 4.72 2q51A3 ILE 65 HB 0.09 -0.08 0.04 -0.04 1.89 1.90 2q51A3 ILE 65 HG12 -0.08 -0.14 -0.23 -0.04 1.49 0.99 2q51A3 ILE 65 HG13 -0.44 0.02 -0.08 -0.04 1.21 0.67 2q51A3 ILE 65 HG23 -0.04 0.03 0.02 -0.04 0.93 0.90 2q51A3 ILE 65 HD13 -0.10 0.08 -0.15 -0.04 0.88 0.67 2q51A3 ASP 66 H 0.37 -0.26 0.11 -0.55 8.40 8.07 2q51A3 ASP 66 HA 0.19 0.17 0.33 -0.75 4.63 4.56 2q51A3 ASP 66 HB2 0.07 -0.17 -0.13 -0.04 2.71 2.44 2q51A3 ASP 66 HB3 0.04 0.05 0.07 -0.04 2.70 2.81 2q51A3 CYS 67 H -0.46 -0.12 0.16 -0.55 8.50 7.53 2q51A3 CYS 67 HA -1.10 0.09 0.39 -0.75 4.58 3.20 2q51A3 CYS 67 HB2 -0.22 0.06 -0.12 -0.04 2.97 2.65 2q51A3 CYS 67 HB3 -0.18 0.28 0.14 -0.04 2.97 3.17 2q51A3 ASP 68 H -0.48 0.22 0.06 -0.55 8.40 7.65 2q51A3 ASP 68 HA -0.02 0.01 0.37 -0.75 4.63 4.24 2q51A3 ASP 68 HB2 0.26 0.06 0.07 -0.04 2.71 3.06 2q51A3 ASP 68 HB3 0.07 0.08 0.08 -0.04 2.70 2.89 2q51A3 LEU 69 H -0.03 0.25 0.30 -0.55 8.37 8.35 2q51A3 LEU 69 HA 0.08 0.10 0.42 -0.75 4.35 4.19 2q51A3 LEU 69 HB2 0.03 0.02 0.26 -0.04 1.64 1.91 2q51A3 LEU 69 HB3 0.03 0.01 0.16 -0.04 1.64 1.80 2q51A3 LEU 69 HG 0.28 -0.02 -0.03 -0.04 1.64 1.84 2q51A3 LEU 69 HD13 0.09 -0.02 0.07 -0.04 0.93 1.03 2q51A3 LEU 69 HD23 0.07 0.00 -0.08 -0.04 0.89 0.85 2q51A3 ASN 70 H 0.13 0.05 -0.31 -0.55 8.53 7.86 2q51A3 ASN 70 HA 0.18 -0.07 0.44 -0.75 4.76 4.56 2q51A3 ASN 70 HB2 0.44 -0.01 0.07 -0.04 2.88 3.34 2q51A3 ASN 70 HB3 0.28 0.07 -0.02 -0.04 2.79 3.08 2q51A3 ASN 70 HD21 0.00 0.06 -0.01 -0.04 7.03 7.04 2q51A3 ASN 70 HD22 0.10 0.03 -0.01 -0.04 7.74 7.82 2q51A3 ARG 71 H 0.13 0.36 -0.68 -0.55 8.46 7.72 2q51A3 ARG 71 HA 0.12 0.14 0.72 -0.75 4.34 4.58 2q51A3 ARG 71 HB2 0.05 0.11 -0.03 -0.04 1.90 1.99 2q51A3 ARG 71 HB3 0.05 0.01 0.03 -0.04 1.80 1.85 2q51A3 ARG 71 HG2 0.10 0.09 -0.14 -0.04 1.67 1.67 2q51A3 ARG 71 HG3 0.13 -0.14 -0.35 -0.04 1.67 1.27 2q51A3 ARG 71 HD2 0.08 -0.09 -0.06 -0.04 3.22 3.12 2q51A3 ARG 71 HD3 0.05 0.04 -0.05 -0.04 3.22 3.22 2q51A3 ILE 72 H 0.18 0.25 0.03 -0.55 8.25 8.16 2q51A3 ILE 72 HA 0.05 0.20 0.94 -0.75 4.18 4.62 2q51A3 ILE 72 HB -0.03 -0.05 0.10 -0.04 1.89 1.87 2q51A3 ILE 72 HG12 0.11 0.06 0.11 -0.04 1.49 1.73 2q51A3 ILE 72 HG13 0.02 0.09 -0.17 -0.04 1.21 1.11 2q51A3 ILE 72 HG23 -0.00 0.00 -0.22 -0.04 0.93 0.67 2q51A3 ILE 72 HD13 -0.03 -0.01 -0.20 -0.04 0.88 0.59 2q51A3 PHE 73 H 0.38 0.79 0.03 -0.55 8.34 8.99 2q51A3 PHE 73 HA 0.05 0.06 0.64 -0.75 4.62 4.62 2q51A3 PHE 73 HB2 0.09 0.20 -0.36 -0.04 3.15 3.04 2q51A3 PHE 73 HB3 0.08 0.05 0.01 -0.04 3.06 3.16 2q51A3 PHE 73 HD2 0.08 0.03 -0.04 -0.04 7.28 7.31 2q51A3 PHE 73 HE2 0.07 -0.03 -0.02 -0.04 7.38 7.36 2q51A3 PHE 73 HZ 0.05 0.00 0.06 -0.04 7.32 7.40 2q51A3 ASP 74 H 0.02 0.52 0.05 -0.55 8.40 8.44 2q51A3 ASP 74 HA 0.07 0.26 0.59 -0.75 4.63 4.80 2q51A3 ASP 74 HB2 0.02 -0.11 0.08 -0.04 2.71 2.65 2q51A3 ASP 74 HB3 0.05 0.14 -0.23 -0.04 2.70 2.63 2q51A3 LEU 75 H 0.01 0.17 0.06 -0.55 8.37 8.07 2q51A3 LEU 75 HA -0.01 0.15 0.43 -0.75 4.35 4.17 2q51A3 LEU 75 HB2 0.01 0.04 0.02 -0.04 1.64 1.67 2q51A3 LEU 75 HB3 -0.00 -0.03 0.00 -0.04 1.64 1.57 2q51A3 LEU 75 HG 0.00 0.07 -0.05 -0.04 1.64 1.61 2q51A3 LEU 75 HD13 0.00 -0.00 -0.05 -0.04 0.93 0.84 2q51A3 LEU 75 HD23 -0.01 0.00 -0.19 -0.04 0.89 0.66 2q51A3 GLU 76 H -0.01 0.08 -0.07 -0.55 8.60 8.06 2q51A3 GLU 76 HA -0.01 0.07 0.32 -0.75 4.29 3.91 2q51A3 GLU 76 HB2 -0.01 -0.01 0.09 -0.04 2.09 2.12 2q51A3 GLU 76 HB3 -0.01 -0.04 0.06 -0.04 1.99 1.96 2q51A3 GLU 76 HG2 -0.02 0.02 -0.12 -0.04 2.34 2.19 2q51A3 GLU 76 HG3 -0.01 0.02 0.06 -0.04 2.34 2.36 2q51A3 ASN 77 H -0.03 -0.04 -0.53 -0.55 8.53 7.39 2q51A3 ASN 77 HA -0.05 0.21 0.74 -0.75 4.76 4.91 2q51A3 ASN 77 HB2 -0.09 0.26 0.26 -0.04 2.88 3.26 2q51A3 ASN 77 HB3 -0.10 -0.03 -0.00 -0.04 2.79 2.61 2q51A3 ASN 77 HD21 -0.01 -0.03 -0.01 -0.04 7.03 6.93 2q51A3 ASN 77 HD22 -0.02 0.32 0.23 -0.04 7.74 8.23 2q51A3 LEU 78 H -0.09 0.54 0.32 -0.55 8.37 8.59 2q51A3 LEU 78 HA -0.17 -0.02 0.31 -0.75 4.35 3.73 2q51A3 LEU 78 HB2 -0.03 0.16 -0.06 -0.04 1.64 1.67 2q51A3 LEU 78 HB3 -0.03 -0.00 0.02 -0.04 1.64 1.58 2q51A3 LEU 78 HG -0.32 -0.04 0.17 -0.04 1.64 1.41 2q51A3 LEU 78 HD13 0.16 0.01 -0.21 -0.04 0.93 0.85 2q51A3 LEU 78 HD23 -0.63 -0.01 -0.09 -0.04 0.89 0.12 2q51A3 GLY 79 H -0.03 0.07 -1.20 -0.55 8.43 6.71 2q51A3 GLY 79 HA2 -0.00 0.11 0.57 -0.51 4.01 4.18 2q51A3 GLY 79 HA3 -0.00 -0.07 0.27 -0.51 4.01 3.69 2q51A3 LYS 80 H -0.03 0.42 0.19 -0.55 8.42 8.45 2q51A3 LYS 80 HA -0.01 0.08 0.89 -0.75 4.32 4.52 2q51A3 LYS 80 HB2 -0.01 -0.14 0.15 -0.04 1.87 1.82 2q51A3 LYS 80 HB3 -0.02 0.36 0.23 -0.04 1.79 2.32 2q51A3 LYS 80 HG2 -0.04 0.14 0.29 -0.04 1.46 1.81 2q51A3 LYS 80 HG3 -0.02 0.01 -0.05 -0.04 1.46 1.36 2q51A3 LYS 80 HD2 -0.03 -0.13 -0.00 -0.04 1.69 1.49 2q51A3 LYS 80 HD3 -0.02 -0.06 0.00 -0.04 1.68 1.57 2q51A3 LYS 80 HE2 -0.02 -0.09 0.07 -0.04 2.99 2.91 2q51A3 LYS 80 HE3 -0.02 0.75 -0.03 -0.04 2.99 3.64 2q51A3 LYS 81 H -0.01 0.06 0.10 -0.55 8.42 8.01 2q51A3 LYS 81 HA -0.00 0.09 0.04 -0.75 4.32 3.69 2q51A3 LYS 81 HB2 -0.00 -0.03 0.12 -0.04 1.87 1.92 2q51A3 LYS 81 HB3 -0.00 -0.02 0.08 -0.04 1.79 1.80 2q51A3 LYS 81 HG2 0.00 0.02 0.01 -0.04 1.46 1.45 2q51A3 LYS 81 HG3 0.00 0.03 0.02 -0.04 1.46 1.47 2q51A3 LYS 81 HD2 -0.00 -0.01 0.01 -0.04 1.69 1.65 2q51A3 LYS 81 HD3 0.00 -0.04 -0.00 -0.04 1.68 1.60 2q51A3 LYS 81 HE2 0.00 -0.03 -0.00 -0.04 2.99 2.91 2q51A3 LYS 81 HE3 0.00 0.01 -0.01 -0.04 2.99 2.96 2q51A3 SER 83 HA -0.00 -0.13 -0.05 -0.75 4.49 3.55 2q51A3 SER 83 HB2 -0.00 0.10 0.18 -0.04 3.95 4.18 2q51A3 SER 83 HB3 -0.01 -0.02 0.14 -0.04 3.93 4.00 2q51A3 GLU 84 H 0.00 0.09 0.07 -0.55 8.60 8.22 2q51A3 GLU 84 HA 0.00 0.11 0.44 -0.75 4.29 4.08 2q51A3 GLU 84 HB2 0.01 -0.14 0.22 -0.04 2.09 2.13 2q51A3 GLU 84 HB3 0.01 0.04 0.06 -0.04 1.99 2.06 2q51A3 GLU 84 HG2 0.01 0.04 0.06 -0.04 2.34 2.41 2q51A3 GLU 84 HG3 0.01 0.00 0.08 -0.04 2.34 2.38 2q51A3 ASP 85 H 0.01 0.02 -0.02 -0.55 8.40 7.86 2q51A3 ASP 85 HA 0.02 0.03 0.23 -0.75 4.63 4.15 2q51A3 ASP 85 HB2 0.01 -0.02 -0.04 -0.04 2.71 2.61 2q51A3 ASP 85 HB3 0.01 0.01 -0.03 -0.04 2.70 2.65 2q51A3 LEU 86 H 0.00 0.11 -1.17 -0.55 8.37 6.76 2q51A3 LEU 86 HA -0.00 -0.04 0.22 -0.75 4.35 3.77 2q51A3 LEU 86 HB2 -0.02 0.29 0.01 -0.04 1.64 1.88 2q51A3 LEU 86 HB3 -0.03 -0.17 -0.18 -0.04 1.64 1.22 2q51A3 LEU 86 HG -0.01 0.26 -0.01 -0.04 1.64 1.84 2q51A3 LEU 86 HD13 -0.04 -0.04 -0.22 -0.04 0.93 0.60 2q51A3 LEU 86 HD23 -0.02 -0.05 -0.07 -0.04 0.89 0.71 2q51A3 PRO 87 HA 0.05 0.10 0.61 -0.51 4.44 4.69 2q51A3 PRO 87 HB2 0.02 -0.16 0.05 -0.04 2.28 2.14 2q51A3 PRO 87 HB3 0.02 0.09 0.11 -0.04 2.02 2.20 2q51A3 PRO 87 HG2 -0.02 -0.05 0.11 -0.04 2.03 2.04 2q51A3 PRO 87 HG3 -0.00 0.08 0.06 -0.04 2.03 2.12 2q51A3 PRO 87 HD2 -0.01 0.14 0.16 -0.04 3.68 3.93 2q51A3 PRO 87 HD3 0.00 0.16 0.06 -0.04 3.65 3.83 2q51A3 TYR 88 H 0.15 0.22 0.22 -0.55 8.29 8.33 2q51A3 TYR 88 HA -0.00 0.15 0.34 -0.75 4.56 4.29 2q51A3 TYR 88 HB2 0.01 0.11 0.15 -0.04 3.06 3.29 2q51A3 TYR 88 HB3 0.01 -0.13 0.07 -0.04 2.98 2.89 2q51A3 TYR 88 HD2 0.01 -0.00 -0.04 -0.04 7.15 7.07 2q51A3 TYR 88 HE2 0.00 0.00 0.01 -0.04 6.85 6.82 2q51A3 GLU 89 H 0.13 0.01 -0.32 -0.55 8.60 7.87 2q51A3 GLU 89 HA -0.07 -0.00 0.47 -0.75 4.29 3.93 2q51A3 GLU 89 HB2 0.01 0.01 0.02 -0.04 2.09 2.08 2q51A3 GLU 89 HB3 -0.01 0.05 -0.07 -0.04 1.99 1.92 2q51A3 GLU 89 HG2 -0.01 0.42 0.13 -0.04 2.34 2.84 2q51A3 GLU 89 HG3 0.13 -0.03 0.12 -0.04 2.34 2.52 2q51A3 VAL 90 H -0.05 0.31 -0.03 -0.55 8.24 7.92 2q51A3 VAL 90 HA -0.12 -0.01 0.34 -0.75 4.13 3.59 2q51A3 VAL 90 HB -0.06 0.07 -0.04 -0.04 2.12 2.05 2q51A3 VAL 90 HG13 -0.07 0.00 -0.06 -0.04 0.97 0.80 2q51A3 VAL 90 HG23 -0.04 -0.02 0.05 -0.04 0.95 0.90 2q51A3 ARG 91 H -0.13 0.27 -0.44 -0.55 8.46 7.62 2q51A3 ARG 91 HA -0.11 0.11 0.36 -0.75 4.34 3.96 2q51A3 ARG 91 HB2 -0.23 0.07 0.13 -0.04 1.90 1.83 2q51A3 ARG 91 HB3 -0.13 -0.04 -0.02 -0.04 1.80 1.58 2q51A3 ARG 91 HG2 -0.05 0.10 -0.03 -0.04 1.67 1.64 2q51A3 ARG 91 HG3 -0.06 0.02 -0.23 -0.04 1.67 1.36 2q51A3 ARG 91 HD2 -0.05 -0.09 -0.00 -0.04 3.22 3.04 2q51A3 ARG 91 HD3 -0.02 0.15 0.04 -0.04 3.22 3.35 2q51A3 ARG 92 H -0.31 0.41 0.03 -0.55 8.46 8.04 2q51A3 ARG 92 HA -0.11 -0.00 0.36 -0.75 4.34 3.84 2q51A3 ARG 92 HB2 -0.40 -0.01 0.19 -0.04 1.90 1.63 2q51A3 ARG 92 HB3 -0.16 0.00 0.14 -0.04 1.80 1.74 2q51A3 ARG 92 HG2 -0.03 0.15 0.23 -0.04 1.67 1.97 2q51A3 ARG 92 HG3 0.05 -0.07 0.05 -0.04 1.67 1.66 2q51A3 ARG 92 HD2 0.04 -0.08 0.09 -0.04 3.22 3.23 2q51A3 ARG 92 HD3 -0.04 -0.08 0.09 -0.04 3.22 3.15 2q51A3 ALA 93 H -0.13 0.50 -0.27 -0.55 8.40 7.95 2q51A3 ALA 93 HA 0.10 -0.04 0.37 -0.75 4.34 4.01 2q51A3 ALA 93 HB3 -0.65 0.04 0.04 -0.04 1.41 0.79 2q51A3 GLN 94 H -0.21 0.53 -0.08 -0.55 8.47 8.16 2q51A3 GLN 94 HA -0.13 0.06 0.42 -0.75 4.36 3.96 2q51A3 GLN 94 HB2 -0.14 0.25 0.30 -0.04 2.15 2.52 2q51A3 GLN 94 HB3 -0.10 -0.06 -0.01 -0.04 2.02 1.81 2q51A3 GLN 94 HG2 -0.11 -0.07 0.01 -0.04 2.40 2.18 2q51A3 GLN 94 HG3 -0.11 0.22 0.04 -0.04 2.39 2.49 2q51A3 GLN 94 HE21 -0.01 0.12 0.02 -0.04 6.97 7.06 2q51A3 GLN 94 HE22 -0.05 0.11 0.02 -0.04 7.69 7.73 2q51A3 GLU 95 H -0.19 0.81 0.02 -0.55 8.60 8.70 2q51A3 GLU 95 HA -0.44 0.01 0.37 -0.75 4.29 3.46 2q51A3 GLU 95 HB2 -0.10 -0.04 0.13 -0.04 2.09 2.04 2q51A3 GLU 95 HB3 -0.03 -0.01 -0.02 -0.04 1.99 1.89 2q51A3 GLU 95 HG2 -0.06 -0.02 -0.00 -0.04 2.34 2.21 2q51A3 GLU 95 HG3 -0.14 0.02 -0.01 -0.04 2.34 2.16 2q51A3 ILE 96 H 0.02 1.26 0.04 -0.55 8.25 9.03 2q51A3 ILE 96 HA 0.06 -0.05 0.46 -0.75 4.18 3.90 2q51A3 ILE 96 HB 0.33 0.16 0.22 -0.04 1.89 2.56 2q51A3 ILE 96 HG12 0.20 -0.08 0.00 -0.04 1.49 1.57 2q51A3 ILE 96 HG13 0.25 -0.00 0.07 -0.04 1.21 1.49 2q51A3 ILE 96 HG23 0.24 -0.04 -0.13 -0.04 0.93 0.96 2q51A3 ILE 96 HD13 0.14 -0.02 -0.10 -0.04 0.88 0.86 2q51A3 ASN 97 H 0.05 0.49 -0.45 -0.55 8.53 8.08 2q51A3 ASN 97 HA 0.27 -0.07 0.55 -0.75 4.76 4.76 2q51A3 ASN 97 HB2 0.07 0.21 0.19 -0.04 2.88 3.31 2q51A3 ASN 97 HB3 0.15 0.13 0.17 -0.04 2.79 3.20 2q51A3 ASN 97 HD21 0.12 -0.03 0.15 -0.04 7.03 7.23 2q51A3 ASN 97 HD22 0.10 0.19 0.13 -0.04 7.74 8.12 2q51A3 HIS 98 H 0.01 0.41 -0.49 -0.55 8.41 7.79 2q51A3 HIS 98 HA 0.00 0.21 0.81 -0.75 4.63 4.89 2q51A3 HIS 98 HB2 -0.03 0.04 0.12 -0.04 3.26 3.35 2q51A3 HIS 98 HB3 -0.03 -0.06 0.01 -0.04 3.20 3.08 2q51A3 HIS 98 HD2 -0.01 -0.07 -0.02 -0.04 6.97 6.82 2q51A3 HIS 98 HE1 -0.02 -0.02 -0.09 -0.04 7.75 7.58 2q51A3 LEU 99 H -0.10 0.29 0.11 -0.55 8.37 8.13 2q51A3 LEU 99 HA -0.26 0.07 0.48 -0.75 4.35 3.88 2q51A3 LEU 99 HB2 -0.90 0.00 0.12 -0.04 1.64 0.82 2q51A3 LEU 99 HB3 -1.11 -0.02 0.04 -0.04 1.64 0.51 2q51A3 LEU 99 HG -0.15 0.12 0.10 -0.04 1.64 1.67 2q51A3 LEU 99 HD13 -0.14 -0.03 -0.04 -0.04 0.93 0.69 2q51A3 LEU 99 HD23 -0.13 -0.01 -0.01 -0.04 0.89 0.70 2q51A3 PHE 100 H -0.03 0.31 -0.01 -0.55 8.34 8.05 2q51A3 PHE 100 HA 0.02 0.14 0.85 -0.75 4.62 4.87 2q51A3 PHE 100 HB2 0.06 0.02 -0.06 -0.04 3.15 3.12 2q51A3 PHE 100 HB3 -0.19 -0.06 0.02 -0.04 3.06 2.80 2q51A3 PHE 100 HD2 -0.89 0.07 -0.01 -0.04 7.28 6.41 2q51A3 PHE 100 HE2 -1.16 -0.01 -0.08 -0.04 7.38 6.09 2q51A3 PHE 100 HZ -0.63 0.01 -0.12 -0.04 7.32 6.54 2q51A3 GLY 101 H 0.15 -0.14 -0.32 -0.55 8.43 7.57 2q51A3 GLY 101 HA2 0.18 0.13 0.48 -0.51 4.01 4.29 2q51A3 GLY 101 HA3 0.20 -0.05 0.42 -0.51 4.01 4.07 2q51A3 PRO 102 HA 0.14 0.03 0.56 -0.51 4.44 4.66 2q51A3 PRO 102 HB2 0.04 -0.05 0.14 -0.04 2.28 2.37 2q51A3 PRO 102 HB3 0.06 0.02 0.13 -0.04 2.02 2.19 2q51A3 PRO 102 HG2 -0.02 -0.07 0.12 -0.04 2.03 2.02 2q51A3 PRO 102 HG3 0.03 0.14 0.13 -0.04 2.03 2.28 2q51A3 PRO 102 HD2 0.04 -0.08 0.30 -0.04 3.68 3.90 2q51A3 PRO 102 HD3 0.04 0.20 0.34 -0.04 3.65 4.19 2q51A3 LYS 103 H 0.17 0.06 0.20 -0.55 8.42 8.30 2q51A3 LYS 103 HA 0.12 0.24 0.47 -0.75 4.32 4.40 2q51A3 LYS 103 HB2 0.22 -0.06 0.16 -0.04 1.87 2.15 2q51A3 LYS 103 HB3 0.14 -0.08 0.10 -0.04 1.79 1.90 2q51A3 LYS 103 HG2 0.09 -0.09 -0.16 -0.04 1.46 1.26 2q51A3 LYS 103 HG3 0.09 0.26 0.13 -0.04 1.46 1.90 2q51A3 LYS 103 HD2 0.20 -0.06 -0.24 -0.04 1.69 1.55 2q51A3 LYS 103 HD3 0.17 -0.09 -0.07 -0.04 1.68 1.65 2q51A3 LYS 103 HE2 0.11 -0.11 0.01 -0.04 2.99 2.96 2q51A3 LYS 103 HE3 0.11 0.22 0.03 -0.04 2.99 3.31 2q51A3 ASP 104 H 0.06 0.29 0.18 -0.55 8.40 8.38 2q51A3 ASP 104 HA 0.03 0.02 0.36 -0.75 4.63 4.29 2q51A3 ASP 104 HB2 0.04 0.38 0.44 -0.04 2.71 3.53 2q51A3 ASP 104 HB3 0.03 -0.10 0.08 -0.04 2.70 2.67 2q51A3 SER 105 H 0.05 0.64 -0.14 -0.55 8.46 8.46 2q51A3 SER 105 HA 0.03 -0.01 0.46 -0.75 4.49 4.21 2q51A3 SER 105 HB2 0.03 0.09 0.12 -0.04 3.95 4.14 2q51A3 SER 105 HB3 0.05 -0.01 0.05 -0.04 3.93 3.98 2q51A3 GLU 106 H 0.02 0.09 0.15 -0.55 8.60 8.32 2q51A3 GLU 106 HA 0.04 0.16 0.41 -0.75 4.29 4.14 2q51A3 GLU 106 HB2 0.02 -0.05 0.18 -0.04 2.09 2.20 2q51A3 GLU 106 HB3 0.03 0.01 0.21 -0.04 1.99 2.20 2q51A3 GLU 106 HG2 0.02 0.07 0.07 -0.04 2.34 2.46 2q51A3 GLU 106 HG3 0.02 -0.01 0.14 -0.04 2.34 2.46 2q51A3 ASP 107 H 0.04 0.53 -0.75 -0.55 8.40 7.68 2q51A3 ASP 107 HA 0.02 0.13 0.70 -0.75 4.63 4.72 2q51A3 ASP 107 HB2 0.02 -0.10 -0.21 -0.04 2.71 2.38 2q51A3 ASP 107 HB3 0.02 0.03 -0.19 -0.04 2.70 2.52 2q51A3 SER 108 H 0.07 0.02 -0.03 -0.55 8.46 7.98 2q51A3 SER 108 HA 0.18 0.03 0.20 -0.75 4.49 4.15 2q51A3 SER 108 HB2 0.11 -0.05 -0.02 -0.04 3.95 3.95 2q51A3 SER 108 HB3 0.18 0.15 0.01 -0.04 3.93 4.23 2q51A3 TYR 109 H 0.62 0.12 0.12 -0.55 8.29 8.60 2q51A3 TYR 109 HA 0.06 -0.10 0.41 -0.75 4.56 4.18 2q51A3 TYR 109 HB2 0.12 -0.04 -0.00 -0.04 3.06 3.09 2q51A3 TYR 109 HB3 0.06 0.12 -0.15 -0.04 2.98 2.97 2q51A3 TYR 109 HD2 0.13 -0.02 -0.12 -0.04 7.15 7.10 2q51A3 TYR 109 HE2 0.04 0.13 0.05 -0.04 6.85 7.03 2q51A3 ASP 110 H 0.06 0.38 0.25 -0.55 8.40 8.54 2q51A3 ASP 110 HA 0.17 0.08 0.44 -0.75 4.63 4.57 2q51A3 ASP 110 HB2 0.01 0.21 0.06 -0.04 2.71 2.96 2q51A3 ASP 110 HB3 -0.01 -0.01 -0.04 -0.04 2.70 2.60 2q51A3 ILE 111 H 0.06 0.25 0.20 -0.55 8.25 8.21 2q51A3 ILE 111 HA 0.05 0.38 0.99 -0.75 4.18 4.84 2q51A3 ILE 111 HB -0.11 -0.05 0.06 -0.04 1.89 1.74 2q51A3 ILE 111 HG12 0.05 0.04 -0.09 -0.04 1.49 1.45 2q51A3 ILE 111 HG13 0.04 -0.13 -0.31 -0.04 1.21 0.77 2q51A3 ILE 111 HG23 -0.53 0.01 -0.08 -0.04 0.93 0.28 2q51A3 ILE 111 HD13 0.04 0.01 -0.06 -0.04 0.88 0.83 2q51A3 ILE 112 H -0.21 0.56 0.34 -0.55 8.25 8.39 2q51A3 ILE 112 HA -0.28 0.22 0.93 -0.75 4.18 4.29 2q51A3 ILE 112 HB -0.21 0.05 0.14 -0.04 1.89 1.83 2q51A3 ILE 112 HG12 -0.54 -0.02 0.04 -0.04 1.49 0.93 2q51A3 ILE 112 HG13 -0.14 0.11 -0.38 -0.04 1.21 0.76 2q51A3 ILE 112 HG23 -0.58 -0.06 -0.18 -0.04 0.93 0.08 2q51A3 ILE 112 HD13 -0.24 -0.05 -0.09 -0.04 0.88 0.46 2q51A3 PHE 113 H -0.03 0.68 0.32 -0.55 8.34 8.75 2q51A3 PHE 113 HA 0.03 0.65 1.08 -0.75 4.62 5.63 2q51A3 PHE 113 HB2 0.01 -0.04 0.33 -0.04 3.15 3.41 2q51A3 PHE 113 HB3 0.07 -0.04 0.04 -0.04 3.06 3.09 2q51A3 PHE 113 HD2 0.04 0.03 -0.09 -0.04 7.28 7.21 2q51A3 PHE 113 HE2 0.08 0.01 -0.07 -0.04 7.38 7.35 2q51A3 PHE 113 HZ 0.11 0.07 0.01 -0.04 7.32 7.47 2q51A3 ASP 114 H 0.14 0.54 0.39 -0.55 8.40 8.92 2q51A3 ASP 114 HA 0.22 0.18 1.04 -0.75 4.63 5.31 2q51A3 ASP 114 HB2 0.14 -0.04 0.02 -0.04 2.71 2.80 2q51A3 ASP 114 HB3 0.25 -0.02 0.16 -0.04 2.70 3.04 2q51A3 LEU 115 H 0.17 0.65 0.36 -0.55 8.37 9.01 2q51A3 LEU 115 HA 0.18 0.22 0.92 -0.75 4.35 4.91 2q51A3 LEU 115 HB2 0.08 -0.20 0.25 -0.04 1.64 1.74 2q51A3 LEU 115 HB3 0.10 0.03 0.09 -0.04 1.64 1.81 2q51A3 LEU 115 HG 0.21 0.11 0.04 -0.04 1.64 1.96 2q51A3 LEU 115 HD13 0.24 -0.01 -0.08 -0.04 0.93 1.04 2q51A3 LEU 115 HD23 0.16 0.02 -0.12 -0.04 0.89 0.92 2q51A3 HIS 116 H 0.21 0.86 0.48 -0.55 8.41 9.42 2q51A3 HIS 116 HA 0.08 0.01 0.82 -0.75 4.63 4.78 2q51A3 HIS 116 HB2 0.11 0.15 0.01 -0.04 3.26 3.50 2q51A3 HIS 116 HB3 0.07 -0.03 0.12 -0.04 3.20 3.31 2q51A3 HIS 116 HD2 0.15 0.17 -0.49 -0.04 6.97 6.75 2q51A3 HIS 116 HE1 0.36 -0.09 -0.03 -0.04 7.75 7.94 2q51A3 ASN 117 H 0.15 0.16 0.27 -0.55 8.53 8.56 2q51A3 ASN 117 HA 0.08 0.71 1.11 -0.75 4.76 5.90 2q51A3 ASN 117 HB2 0.04 -0.17 0.12 -0.04 2.88 2.83 2q51A3 ASN 117 HB3 0.03 0.08 0.01 -0.04 2.79 2.87 2q51A3 ASN 117 HD21 0.01 -0.11 -0.01 -0.04 7.03 6.89 2q51A3 ASN 117 HD22 0.04 0.63 0.31 -0.04 7.74 8.68 2q51A3 THR 118 H 0.06 0.62 0.29 -0.55 8.28 8.70 2q51A3 THR 118 HA 0.08 0.03 0.95 -0.75 4.39 4.69 2q51A3 THR 118 HB 0.30 0.04 -0.15 -0.04 4.32 4.46 2q51A3 THR 118 HG23 0.01 0.12 -0.16 -0.04 1.22 1.15 2q51A3 THR 119 H 0.02 0.01 0.23 -0.55 8.28 7.99 2q51A3 THR 119 HA 0.01 0.17 0.52 -0.75 4.39 4.33 2q51A3 THR 119 HB 0.00 0.09 0.17 -0.04 4.32 4.54 2q51A3 THR 119 HG23 -0.03 0.01 0.21 -0.04 1.22 1.38 2q51A3 SER 120 H 0.07 -0.17 -0.49 -0.55 8.46 7.32 2q51A3 SER 120 HA 0.00 0.19 0.51 -0.75 4.49 4.44 2q51A3 SER 120 HB2 -0.01 -0.03 -0.12 -0.04 3.95 3.75 2q51A3 SER 120 HB3 -0.06 -0.04 -0.09 -0.04 3.93 3.69 2q51A3 ASN 121 H -0.08 0.07 0.03 -0.55 8.53 8.01 2q51A3 ASN 121 HA -0.03 0.29 0.43 -0.75 4.76 4.69 2q51A3 ASN 121 HB2 -0.04 -0.05 0.11 -0.04 2.88 2.86 2q51A3 ASN 121 HB3 -0.08 -0.07 0.12 -0.04 2.79 2.72 2q51A3 ASN 121 HD21 -0.01 -0.05 0.10 -0.04 7.03 7.03 2q51A3 ASN 121 HD22 -0.03 0.39 0.27 -0.04 7.74 8.33 2q51A3 GLY 123 HA2 0.04 -0.02 0.28 -0.51 4.01 3.80 2q51A3 GLY 123 HA3 0.09 -0.10 0.38 -0.51 4.01 3.87 2q51A3 CYS 124 H 0.06 0.13 0.10 -0.55 8.50 8.24 2q51A3 CYS 124 HA 0.04 0.20 0.98 -0.75 4.58 5.04 2q51A3 CYS 124 HB2 -0.01 0.05 0.18 -0.04 2.97 3.16 2q51A3 CYS 124 HB3 -0.01 0.02 -0.00 -0.04 2.97 2.94 2q51A3 THR 125 H 0.05 0.72 0.35 -0.55 8.28 8.85 2q51A3 THR 125 HA 0.00 0.50 1.05 -0.75 4.39 5.19 2q51A3 THR 125 HB 0.10 -0.10 -0.00 -0.04 4.32 4.27 2q51A3 THR 125 HG23 0.20 -0.02 -0.28 -0.04 1.22 1.07 2q51A3 LEU 126 H -0.10 0.62 0.40 -0.55 8.37 8.74 2q51A3 LEU 126 HA -0.15 0.19 0.95 -0.75 4.35 4.59 2q51A3 LEU 126 HB2 -0.63 0.00 0.12 -0.04 1.64 1.09 2q51A3 LEU 126 HB3 -1.40 0.01 0.01 -0.04 1.64 0.22 2q51A3 LEU 126 HG -0.24 -0.02 -0.23 -0.04 1.64 1.11 2q51A3 LEU 126 HD13 -0.44 0.03 -0.07 -0.04 0.93 0.40 2q51A3 LEU 126 HD23 -0.21 0.01 -0.03 -0.04 0.89 0.62 2q51A3 ILE 127 H 0.04 0.57 0.29 -0.55 8.25 8.60 2q51A3 ILE 127 HA 0.20 0.33 1.20 -0.75 4.18 5.16 2q51A3 ILE 127 HB 0.14 -0.10 0.14 -0.04 1.89 2.03 2q51A3 ILE 127 HG12 0.33 0.05 -0.19 -0.04 1.49 1.63 2q51A3 ILE 127 HG13 0.16 0.04 -0.36 -0.04 1.21 1.01 2q51A3 ILE 127 HG23 0.20 -0.00 -0.20 -0.04 0.93 0.89 2q51A3 ILE 127 HD13 0.21 -0.03 -0.17 -0.04 0.88 0.84 2q51A3 LEU 128 H 0.20 0.70 0.28 -0.55 8.37 9.00 2q51A3 LEU 128 HA 0.17 0.14 0.82 -0.75 4.35 4.73 2q51A3 LEU 128 HB2 0.69 0.02 -0.11 -0.04 1.64 2.21 2q51A3 LEU 128 HB3 0.17 -0.02 0.03 -0.04 1.64 1.78 2q51A3 LEU 128 HG -0.05 0.17 -0.25 -0.04 1.64 1.47 2q51A3 LEU 128 HD13 -0.34 -0.02 -0.04 -0.04 0.93 0.49 2q51A3 LEU 128 HD23 -0.03 -0.01 -0.15 -0.04 0.89 0.65 2q51A3 GLU 129 H -0.08 0.17 0.19 -0.55 8.60 8.33 2q51A3 GLU 129 HA -0.15 0.16 1.08 -0.75 4.29 4.62 2q51A3 GLU 129 HB2 -0.32 0.05 0.05 -0.04 2.09 1.83 2q51A3 GLU 129 HB3 -1.01 0.01 -0.02 -0.04 1.99 0.93 2q51A3 GLU 129 HG2 -0.11 -0.02 -0.04 -0.04 2.34 2.14 2q51A3 GLU 129 HG3 -0.06 -0.00 -0.33 -0.04 2.34 1.91 2q51A3 ASP 130 H -0.15 0.06 0.11 -0.55 8.40 7.87 2q51A3 ASP 130 HA -0.10 0.11 0.69 -0.75 4.63 4.58 2q51A3 ASP 130 HB2 -0.11 0.01 0.11 -0.04 2.71 2.68 2q51A3 ASP 130 HB3 -0.07 -0.02 -0.12 -0.04 2.70 2.46 2q51A3 SER 131 H -0.01 0.08 0.07 -0.55 8.46 8.05 2q51A3 SER 131 HA -0.03 0.15 0.48 -0.75 4.49 4.33 2q51A3 SER 131 HB2 0.00 0.05 -0.06 -0.04 3.95 3.91 2q51A3 SER 131 HB3 0.01 -0.09 0.09 -0.04 3.93 3.90 2q51A3 ARG 132 H -0.00 0.08 0.07 -0.55 8.46 8.05 2q51A3 ARG 132 HA -0.01 0.09 0.52 -0.75 4.34 4.18 2q51A3 ARG 132 HB2 0.01 0.01 0.19 -0.04 1.90 2.06 2q51A3 ARG 132 HB3 0.00 0.02 0.06 -0.04 1.80 1.84 2q51A3 ARG 132 HG2 0.00 0.05 0.00 -0.04 1.67 1.68 2q51A3 ARG 132 HG3 0.00 -0.08 0.01 -0.04 1.67 1.57 2q51A3 ARG 132 HD2 0.01 0.01 0.01 -0.04 3.22 3.21 2q51A3 ARG 132 HD3 0.01 0.01 0.05 -0.04 3.22 3.25 2q51A3 ASN 133 H -0.03 0.19 -0.06 -0.55 8.53 8.09 2q51A3 ASN 133 HA 0.01 0.03 0.37 -0.75 4.76 4.42 2q51A3 ASN 133 HB2 -0.03 0.20 -0.63 -0.04 2.88 2.38 2q51A3 ASN 133 HB3 -0.08 0.05 -0.17 -0.04 2.79 2.55 2q51A3 ASN 133 HD21 0.09 0.10 0.06 -0.04 7.03 7.24 2q51A3 ASN 133 HD22 -0.00 0.08 0.08 -0.04 7.74 7.86 2q51A3 ASN 134 H 0.01 0.19 0.07 -0.55 8.53 8.26 2q51A3 ASN 134 HA -0.04 0.08 0.32 -0.75 4.76 4.37 2q51A3 ASN 134 HB2 0.01 0.01 0.11 -0.04 2.88 2.97 2q51A3 ASN 134 HB3 0.04 0.06 0.01 -0.04 2.79 2.86 2q51A3 ASN 134 HD21 0.02 0.04 -0.34 -0.04 7.03 6.71 2q51A3 ASN 134 HD22 0.05 0.07 -0.20 -0.04 7.74 7.61 2q51A3 PHE 135 H 0.13 0.08 -0.23 -0.55 8.34 7.76 2q51A3 PHE 135 HA -0.14 0.14 0.40 -0.75 4.62 4.27 2q51A3 PHE 135 HB2 -0.10 0.01 0.03 -0.04 3.15 3.05 2q51A3 PHE 135 HB3 -0.09 -0.03 0.04 -0.04 3.06 2.94 2q51A3 PHE 135 HD2 -0.26 -0.02 -0.08 -0.04 7.28 6.88 2q51A3 PHE 135 HE2 -0.57 0.01 -0.12 -0.04 7.38 6.67 2q51A3 PHE 135 HZ -0.56 -0.01 -0.12 -0.04 7.32 6.60 2q51A3 LEU 136 H -0.07 0.06 -0.11 -0.55 8.37 7.71 2q51A3 LEU 136 HA -0.55 0.10 0.38 -0.75 4.35 3.53 2q51A3 LEU 136 HB2 -0.26 -0.00 0.06 -0.04 1.64 1.40 2q51A3 LEU 136 HB3 -0.63 0.03 -0.03 -0.04 1.64 0.97 2q51A3 LEU 136 HG 0.02 -0.07 0.02 -0.04 1.64 1.58 2q51A3 LEU 136 HD13 -0.07 -0.01 0.06 -0.04 0.93 0.86 2q51A3 LEU 136 HD23 -0.15 0.02 -0.07 -0.04 0.89 0.65 2q51A3 ILE 137 H -0.24 0.48 -0.28 -0.55 8.25 7.66 2q51A3 ILE 137 HA -0.32 0.04 0.19 -0.75 4.18 3.33 2q51A3 ILE 137 HB -0.11 -0.03 -0.06 -0.04 1.89 1.65 2q51A3 ILE 137 HG12 -0.11 -0.01 -0.11 -0.04 1.49 1.22 2q51A3 ILE 137 HG13 -0.18 0.03 -0.11 -0.04 1.21 0.91 2q51A3 ILE 137 HG23 -0.06 -0.02 -0.25 -0.04 0.93 0.56 2q51A3 ILE 137 HD13 -0.06 -0.05 -0.11 -0.04 0.88 0.62 2q51A3 GLN 138 H -0.24 0.13 -0.67 -0.55 8.47 7.14 2q51A3 GLN 138 HA -0.17 -0.08 0.21 -0.75 4.36 3.56 2q51A3 GLN 138 HB2 -0.12 0.05 0.25 -0.04 2.15 2.29 2q51A3 GLN 138 HB3 -0.45 0.19 0.18 -0.04 2.02 1.91 2q51A3 GLN 138 HG2 -0.12 -0.01 0.02 -0.04 2.40 2.25 2q51A3 GLN 138 HG3 -0.07 -0.06 -0.02 -0.04 2.39 2.20 2q51A3 GLN 138 HE21 -0.80 -0.05 0.02 -0.04 6.97 6.10 2q51A3 GLN 138 HE22 -0.25 0.04 0.04 -0.04 7.69 7.48 2q51A3 PHE 140 HA -0.08 -0.13 0.22 -0.75 4.62 3.88 2q51A3 PHE 140 HB2 -0.08 0.07 -0.13 -0.04 3.15 2.97 2q51A3 PHE 140 HB3 -0.08 -0.05 -0.07 -0.04 3.06 2.83 2q51A3 PHE 140 HD2 -0.04 -0.03 -0.04 -0.04 7.28 7.13 2q51A3 PHE 140 HE2 -0.01 -0.05 -0.14 -0.04 7.38 7.15 2q51A3 PHE 140 HZ -0.01 0.05 -0.18 -0.04 7.32 7.14 2q51A3 HIS 141 H 0.04 0.75 0.18 -0.55 8.41 8.83 2q51A3 HIS 141 HA -0.05 0.00 0.55 -0.75 4.63 4.37 2q51A3 HIS 141 HB2 -0.07 -0.02 0.10 -0.04 3.26 3.23 2q51A3 HIS 141 HB3 -0.11 0.10 0.31 -0.04 3.20 3.46 2q51A3 HIS 141 HD2 0.02 -0.01 -0.19 -0.04 6.97 6.74 2q51A3 HIS 141 HE1 -0.03 -0.05 0.04 -0.04 7.75 7.67 2q51A3 TYR 142 H 0.01 0.31 0.03 -0.55 8.29 8.08 2q51A3 TYR 142 HA -0.06 0.02 0.31 -0.75 4.56 4.07 2q51A3 TYR 142 HB2 -0.33 0.02 0.06 -0.04 3.06 2.76 2q51A3 TYR 142 HB3 -0.51 -0.04 -0.01 -0.04 2.98 2.37 2q51A3 TYR 142 HD2 0.02 -0.04 -0.10 -0.04 7.15 6.99 2q51A3 TYR 142 HE2 0.23 0.05 -0.03 -0.04 6.85 7.07 2q51A3 ILE 143 H 0.03 0.12 -0.28 -0.55 8.25 7.57 2q51A3 ILE 143 HA -0.20 -0.03 0.16 -0.75 4.18 3.35 2q51A3 ILE 143 HB -0.01 0.02 -0.05 -0.04 1.89 1.81 2q51A3 ILE 143 HG12 0.28 -0.15 -0.39 -0.04 1.49 1.18 2q51A3 ILE 143 HG13 0.21 -0.01 -0.18 -0.04 1.21 1.19 2q51A3 ILE 143 HG23 0.04 0.01 -0.24 -0.04 0.93 0.70 2q51A3 ILE 143 HD13 0.23 0.02 -0.09 -0.04 0.88 0.99 2q51A3 LYS 144 H -0.16 0.30 -0.29 -0.55 8.42 7.72 2q51A3 LYS 144 HA -0.20 0.02 0.36 -0.75 4.32 3.75 2q51A3 LYS 144 HB2 -0.19 0.03 0.13 -0.04 1.87 1.79 2q51A3 LYS 144 HB3 -0.19 0.39 0.26 -0.04 1.79 2.22 2q51A3 LYS 144 HG2 -0.27 -0.05 -0.05 -0.04 1.46 1.05 2q51A3 LYS 144 HG3 -0.23 -0.03 -0.32 -0.04 1.46 0.84 2q51A3 LYS 144 HD2 -0.26 0.49 0.10 -0.04 1.69 1.98 2q51A3 LYS 144 HD3 -0.21 -0.10 0.07 -0.04 1.68 1.41 2q51A3 LYS 144 HE2 -0.31 -0.12 -0.03 -0.04 2.99 2.50 2q51A3 LYS 144 HE3 -0.23 -0.05 -0.03 -0.04 2.99 2.64 2q51A3 THR 145 H -0.35 0.62 0.09 -0.55 8.28 8.09 2q51A3 THR 145 HA -0.27 -0.08 0.29 -0.75 4.39 3.57 2q51A3 THR 145 HB -0.40 0.03 0.09 -0.04 4.32 4.00 2q51A3 THR 145 HG23 -0.19 -0.05 -0.00 -0.04 1.22 0.94 2q51A3 SER 146 H -0.48 0.53 -0.20 -0.55 8.46 7.76 2q51A3 SER 146 HA -0.22 -0.02 0.47 -0.75 4.49 3.96 2q51A3 SER 146 HB2 -0.65 -0.03 0.03 -0.04 3.95 3.27 2q51A3 SER 146 HB3 -0.42 -0.10 0.08 -0.04 3.93 3.45 2q51A3 LEU 147 H -0.38 0.29 0.07 -0.55 8.37 7.80 2q51A3 LEU 147 HA -0.07 -0.03 0.57 -0.75 4.35 4.06 2q51A3 LEU 147 HB2 -0.10 0.17 0.01 -0.04 1.64 1.68 2q51A3 LEU 147 HB3 -0.03 -0.11 0.18 -0.04 1.64 1.64 2q51A3 LEU 147 HG 0.26 -0.05 0.09 -0.04 1.64 1.90 2q51A3 LEU 147 HD13 0.07 0.05 0.06 -0.04 0.93 1.07 2q51A3 LEU 147 HD23 0.11 -0.04 0.06 -0.04 0.89 0.99 2q51A3 ALA 148 H -0.19 0.15 -0.55 -0.55 8.40 7.26 2q51A3 ALA 148 HA -0.13 0.34 0.44 -0.75 4.34 4.23 2q51A3 ALA 148 HB3 -0.16 0.04 -0.01 -0.04 1.41 1.23 2q51A3 PRO 149 HA -0.09 0.03 0.24 -0.51 4.44 4.11 2q51A3 PRO 149 HB2 -0.05 -0.03 -0.04 -0.04 2.28 2.12 2q51A3 PRO 149 HB3 -0.05 -0.02 0.07 -0.04 2.02 1.97 2q51A3 PRO 149 HG2 -0.04 0.03 -0.07 -0.04 2.03 1.91 2q51A3 PRO 149 HG3 -0.03 -0.05 0.02 -0.04 2.03 1.93 2q51A3 PRO 149 HD2 -0.05 0.17 0.15 -0.04 3.68 3.91 2q51A3 PRO 149 HD3 -0.05 0.01 0.24 -0.04 3.65 3.81 2q51A3 LEU 150 H -0.06 0.27 -0.00 -0.55 8.37 8.03 2q51A3 LEU 150 HA -0.03 -0.07 0.53 -0.75 4.35 4.02 2q51A3 LEU 150 HB2 -0.03 -0.10 0.18 -0.04 1.64 1.65 2q51A3 LEU 150 HB3 -0.05 0.23 0.16 -0.04 1.64 1.93 2q51A3 LEU 150 HG -0.02 0.15 0.03 -0.04 1.64 1.76 2q51A3 LEU 150 HD13 -0.01 -0.04 0.11 -0.04 0.93 0.95 2q51A3 LEU 150 HD23 -0.01 -0.03 0.03 -0.04 0.89 0.84 2q51A3 PRO 151 HA -0.26 0.02 0.31 -0.51 4.44 4.00 2q51A3 PRO 151 HB2 0.14 -0.02 0.03 -0.04 2.28 2.39 2q51A3 PRO 151 HB3 0.10 -0.02 0.14 -0.04 2.02 2.19 2q51A3 PRO 151 HG2 0.10 0.01 0.12 -0.04 2.03 2.22 2q51A3 PRO 151 HG3 0.03 0.06 0.17 -0.04 2.03 2.25 2q51A3 PRO 151 HD2 0.01 0.07 0.18 -0.04 3.68 3.89 2q51A3 PRO 151 HD3 -0.01 0.05 0.34 -0.04 3.65 4.00 2q51A3 CYS 152 H -0.42 0.05 -0.15 -0.55 8.50 7.43 2q51A3 CYS 152 HA -0.09 0.19 0.48 -0.75 4.58 4.41 2q51A3 CYS 152 HB2 -0.14 0.31 -0.26 -0.04 2.97 2.84 2q51A3 CYS 152 HB3 -0.20 -0.10 0.12 -0.04 2.97 2.75 2q51A3 TYR 153 H -0.05 0.25 0.23 -0.55 8.29 8.17 2q51A3 TYR 153 HA -0.41 0.07 0.52 -0.75 4.56 3.99 2q51A3 TYR 153 HB2 -1.13 0.03 0.02 -0.04 3.06 1.94 2q51A3 TYR 153 HB3 -1.70 -0.02 -0.06 -0.04 2.98 1.17 2q51A3 TYR 153 HD2 -0.88 0.02 0.02 -0.04 7.15 6.26 2q51A3 TYR 153 HE2 -0.21 0.04 0.02 -0.04 6.85 6.66 2q51A3 VAL 154 H -0.09 0.21 0.22 -0.55 8.24 8.03 2q51A3 VAL 154 HA -0.05 0.13 1.10 -0.75 4.13 4.56 2q51A3 VAL 154 HB 0.06 0.06 0.28 -0.04 2.12 2.48 2q51A3 VAL 154 HG13 0.25 -0.02 -0.18 -0.04 0.97 0.98 2q51A3 VAL 154 HG23 -0.10 0.02 -0.06 -0.04 0.95 0.77 2q51A3 TYR 155 H 0.25 0.76 0.32 -0.55 8.29 9.07 2q51A3 TYR 155 HA 0.31 0.11 0.88 -0.75 4.56 5.11 2q51A3 TYR 155 HB2 0.31 -0.03 -0.03 -0.04 3.06 3.26 2q51A3 TYR 155 HB3 0.18 -0.05 0.09 -0.04 2.98 3.17 2q51A3 TYR 155 HD2 0.32 -0.02 -0.08 -0.04 7.15 7.33 2q51A3 TYR 155 HE2 0.19 -0.05 -0.19 -0.04 6.85 6.76 2q51A3 LEU 156 H -0.07 0.95 0.35 -0.55 8.37 9.06 2q51A3 LEU 156 HA -0.04 0.34 1.07 -0.75 4.35 4.96 2q51A3 LEU 156 HB2 0.02 -0.01 -0.15 -0.04 1.64 1.46 2q51A3 LEU 156 HB3 -0.03 -0.09 -0.25 -0.04 1.64 1.24 2q51A3 LEU 156 HG -0.06 -0.04 -0.62 -0.04 1.64 0.88 2q51A3 LEU 156 HD13 -0.02 0.08 -0.28 -0.04 0.93 0.67 2q51A3 LEU 156 HD23 -0.02 -0.03 -0.21 -0.04 0.89 0.59 2q51A3 ILE 157 H -0.09 0.60 0.24 -0.55 8.25 8.45 2q51A3 ILE 157 HA -0.16 0.09 0.99 -0.75 4.18 4.34 2q51A3 ILE 157 HB -0.03 0.04 0.14 -0.04 1.89 1.99 2q51A3 ILE 157 HG12 -0.15 0.01 -0.16 -0.04 1.49 1.15 2q51A3 ILE 157 HG13 -0.14 0.05 -0.31 -0.04 1.21 0.77 2q51A3 ILE 157 HG23 -0.23 -0.03 -0.17 -0.04 0.93 0.46 2q51A3 ILE 157 HD13 0.11 -0.02 -0.12 -0.04 0.88 0.82 2q51A3 GLU 158 H -0.05 0.16 0.08 -0.55 8.60 8.25 2q51A3 GLU 158 HA 0.05 0.27 0.94 -0.75 4.29 4.79 2q51A3 GLU 158 HB2 0.02 0.01 0.19 -0.04 2.09 2.27 2q51A3 GLU 158 HB3 0.04 0.01 -0.03 -0.04 1.99 1.96 2q51A3 GLU 158 HG2 0.01 0.03 -0.19 -0.04 2.34 2.15 2q51A3 GLU 158 HG3 -0.01 -0.03 -0.14 -0.04 2.34 2.12 2q51A3 HIS 159 H 0.27 0.31 0.04 -0.55 8.41 8.49 2q51A3 HIS 159 HA -0.04 0.25 0.87 -0.75 4.63 4.95 2q51A3 HIS 159 HB2 -0.44 0.10 0.05 -0.04 3.26 2.93 2q51A3 HIS 159 HB3 -0.31 -0.23 0.00 -0.04 3.20 2.63 2q51A3 HIS 159 HD2 -0.07 0.06 -0.06 -0.04 6.97 6.86 2q51A3 HIS 159 HE1 -0.10 -0.12 0.01 -0.04 7.75 7.50 2q51A3 PRO 160 HA 0.04 0.10 0.45 -0.51 4.44 4.52 2q51A3 PRO 160 HB2 0.01 0.03 0.03 -0.04 2.28 2.31 2q51A3 PRO 160 HB3 0.03 0.05 0.13 -0.04 2.02 2.18 2q51A3 PRO 160 HG2 0.00 -0.07 0.15 -0.04 2.03 2.07 2q51A3 PRO 160 HG3 0.03 0.07 0.12 -0.04 2.03 2.21 2q51A3 PRO 160 HD2 0.13 0.09 0.38 -0.04 3.68 4.23 2q51A3 PRO 160 HD3 0.07 0.24 0.21 -0.04 3.65 4.12 2q51A3 SER 161 H -0.04 0.10 -0.20 -0.55 8.46 7.77 2q51A3 SER 161 HA -0.03 0.09 0.35 -0.75 4.49 4.14 2q51A3 SER 161 HB2 -0.09 0.03 0.10 -0.04 3.95 3.95 2q51A3 SER 161 HB3 -0.13 -0.01 0.08 -0.04 3.93 3.83 2q51A3 LEU 162 H 0.03 0.55 -0.75 -0.55 8.37 7.65 2q51A3 LEU 162 HA 0.16 0.06 0.30 -0.75 4.35 4.12 2q51A3 LEU 162 HB2 0.04 0.20 -0.03 -0.04 1.64 1.81 2q51A3 LEU 162 HB3 0.09 -0.06 0.19 -0.04 1.64 1.82 2q51A3 LEU 162 HG 0.04 0.27 -0.12 -0.04 1.64 1.79 2q51A3 LEU 162 HD13 0.03 -0.03 -0.02 -0.04 0.93 0.88 2q51A3 LEU 162 HD23 0.08 -0.02 0.06 -0.04 0.89 0.97 2q51A3 LYS 163 H -0.20 -0.08 -0.61 -0.55 8.42 6.98 2q51A3 LYS 163 HA 0.07 0.25 0.89 -0.75 4.32 4.78 2q51A3 LYS 163 HB2 -0.16 -0.09 -0.06 -0.04 1.87 1.52 2q51A3 LYS 163 HB3 -0.09 -0.01 -0.13 -0.04 1.79 1.52 2q51A3 LYS 163 HG2 0.02 0.04 -0.02 -0.04 1.46 1.46 2q51A3 LYS 163 HG3 -0.01 0.15 -0.17 -0.04 1.46 1.39 2q51A3 LYS 163 HD2 -0.01 0.00 -0.02 -0.04 1.69 1.62 2q51A3 LYS 163 HD3 -0.05 -0.01 -0.02 -0.04 1.68 1.56 2q51A3 LYS 163 HE2 -0.06 -0.03 -0.09 -0.04 2.99 2.77 2q51A3 LYS 163 HE3 -0.01 0.02 -0.03 -0.04 2.99 2.93 2q51A3 TYR 164 H 0.20 0.34 0.18 -0.55 8.29 8.46 2q51A3 TYR 164 HA 0.16 0.10 0.77 -0.75 4.56 4.84 2q51A3 TYR 164 HB2 0.08 0.11 0.01 -0.04 3.06 3.22 2q51A3 TYR 164 HB3 0.12 -0.16 0.05 -0.04 2.98 2.96 2q51A3 TYR 164 HD2 0.08 -0.01 -0.15 -0.04 7.15 7.03 2q51A3 TYR 164 HE2 -0.14 0.05 -0.19 -0.04 6.85 6.53 2q51A3 ALA 165 H 0.19 0.09 0.05 -0.55 8.40 8.19 2q51A3 ALA 165 HA 0.19 0.58 0.64 -0.75 4.34 4.99 2q51A3 ALA 165 HB3 0.11 -0.05 -0.33 -0.04 1.41 1.10 2q51A3 THR 166 H 0.20 0.02 -0.07 -0.55 8.28 7.89 2q51A3 THR 166 HA 0.14 0.22 0.32 -0.75 4.39 4.31 2q51A3 THR 166 HB 0.07 -0.13 -0.15 -0.04 4.32 4.07 2q51A3 THR 166 HG23 0.13 0.01 0.05 -0.04 1.22 1.37 2q51A3 THR 167 H 0.03 0.05 0.11 -0.55 8.28 7.93 2q51A3 THR 167 HA -1.32 0.16 0.33 -0.75 4.39 2.81 2q51A3 THR 167 HB 0.09 -0.12 0.12 -0.04 4.32 4.37 2q51A3 THR 167 HG23 -0.04 0.02 -0.11 -0.04 1.22 1.06 2q51A3 ARG 168 H 0.04 0.05 -0.09 -0.55 8.46 7.91 2q51A3 ARG 168 HA -0.09 0.07 0.20 -0.75 4.34 3.77 2q51A3 ARG 168 HB2 -0.09 0.07 0.03 -0.04 1.90 1.87 2q51A3 ARG 168 HB3 0.02 -0.05 -0.01 -0.04 1.80 1.71 2q51A3 ARG 168 HG2 0.05 -0.14 -0.13 -0.04 1.67 1.41 2q51A3 ARG 168 HG3 -0.01 0.11 -0.33 -0.04 1.67 1.40 2q51A3 ARG 168 HD2 0.02 0.03 -0.38 -0.04 3.22 2.84 2q51A3 ARG 168 HD3 0.10 -0.06 -0.17 -0.04 3.22 3.05 2q51A3 SER 169 H -0.06 0.24 -1.09 -0.55 8.46 7.01 2q51A3 SER 169 HA -0.02 0.10 0.31 -0.75 4.49 4.13 2q51A3 SER 169 HB2 0.08 -0.01 0.01 -0.04 3.95 3.99 2q51A3 SER 169 HB3 0.07 -0.27 -0.10 -0.04 3.93 3.60 2q51A3 ILE 170 H -0.06 0.26 -0.52 -0.55 8.25 7.38 2q51A3 ILE 170 HA 0.16 -0.07 0.44 -0.75 4.18 3.96 2q51A3 ILE 170 HB 0.07 -0.07 -0.07 -0.04 1.89 1.78 2q51A3 ILE 170 HG12 0.36 -0.09 -0.01 -0.04 1.49 1.71 2q51A3 ILE 170 HG13 0.02 0.12 -0.01 -0.04 1.21 1.31 2q51A3 ILE 170 HG23 0.20 -0.07 -0.49 -0.04 0.93 0.53 2q51A3 ILE 170 HD13 0.38 -0.05 -0.29 -0.04 0.88 0.89 2q51A3 ALA 171 H -0.03 0.27 -0.21 -0.55 8.40 7.88 2q51A3 ALA 171 HA 0.04 0.19 0.25 -0.75 4.34 4.07 2q51A3 ALA 171 HB3 -0.04 0.01 -0.25 -0.04 1.41 1.10 2q51A3 LYS 172 H -0.03 0.41 0.12 -0.55 8.42 8.36 2q51A3 LYS 172 HA -0.28 0.08 0.61 -0.75 4.32 3.98 2q51A3 LYS 172 HB2 -0.11 0.12 0.10 -0.04 1.87 1.94 2q51A3 LYS 172 HB3 -0.59 -0.08 0.15 -0.04 1.79 1.24 2q51A3 LYS 172 HG2 -0.09 -0.03 0.03 -0.04 1.46 1.32 2q51A3 LYS 172 HG3 -0.02 0.07 -0.03 -0.04 1.46 1.43 2q51A3 LYS 172 HD2 -0.02 -0.07 0.02 -0.04 1.69 1.58 2q51A3 LYS 172 HD3 0.00 0.02 -0.06 -0.04 1.68 1.60 2q51A3 LYS 172 HE2 0.16 0.02 -0.04 -0.04 2.99 3.09 2q51A3 LYS 172 HE3 0.07 -0.09 -0.04 -0.04 2.99 2.89 2q51A3 TYR 173 H -0.12 -0.03 -0.48 -0.55 8.29 7.12 2q51A3 TYR 173 HA -0.04 0.07 0.61 -0.75 4.56 4.45 2q51A3 TYR 173 HB2 -0.01 0.38 0.31 -0.04 3.06 3.70 2q51A3 TYR 173 HB3 0.01 -0.10 0.06 -0.04 2.98 2.91 2q51A3 TYR 173 HD2 0.06 0.12 0.04 -0.04 7.15 7.32 2q51A3 TYR 173 HE2 0.01 -0.08 0.00 -0.04 6.85 6.74 2q51A3 PRO 174 HA -0.09 0.05 0.63 -0.51 4.44 4.51 2q51A3 PRO 174 HB2 -0.07 -0.07 -0.01 -0.04 2.28 2.09 2q51A3 PRO 174 HB3 -0.05 -0.13 -0.29 -0.04 2.02 1.51 2q51A3 PRO 174 HG2 -0.12 -0.03 -0.06 -0.04 2.03 1.78 2q51A3 PRO 174 HG3 -0.08 0.27 -0.10 -0.04 2.03 2.07 2q51A3 PRO 174 HD2 -0.13 -0.00 0.05 -0.04 3.68 3.55 2q51A3 PRO 174 HD3 -0.19 0.22 -0.49 -0.04 3.65 3.15 2q51A3 VAL 175 H -0.12 0.89 0.47 -0.55 8.24 8.93 2q51A3 VAL 175 HA 0.12 0.19 0.90 -0.75 4.13 4.58 2q51A3 VAL 175 HB -0.55 0.01 0.07 -0.04 2.12 1.61 2q51A3 VAL 175 HG13 0.30 -0.02 -0.12 -0.04 0.97 1.09 2q51A3 VAL 175 HG23 -0.04 0.01 -0.22 -0.04 0.95 0.66 2q51A3 GLY 176 H 0.13 0.42 0.25 -0.55 8.43 8.69 2q51A3 GLY 176 HA2 0.19 -0.01 1.13 -0.51 4.01 4.80 2q51A3 GLY 176 HA3 0.15 -0.06 0.39 -0.51 4.01 3.98 2q51A3 ILE 177 H 0.23 0.72 0.29 -0.55 8.25 8.93 2q51A3 ILE 177 HA 0.10 0.27 1.13 -0.75 4.18 4.93 2q51A3 ILE 177 HB 0.16 -0.12 0.08 -0.04 1.89 1.96 2q51A3 ILE 177 HG12 0.09 0.11 -0.08 -0.04 1.49 1.56 2q51A3 ILE 177 HG13 0.20 -0.04 -0.38 -0.04 1.21 0.95 2q51A3 ILE 177 HG23 0.08 0.02 -0.18 -0.04 0.93 0.80 2q51A3 ILE 177 HD13 0.14 -0.00 -0.12 -0.04 0.88 0.86 2q51A3 GLU 178 H 0.08 0.94 0.33 -0.55 8.60 9.42 2q51A3 GLU 178 HA 0.16 0.01 0.87 -0.75 4.29 4.57 2q51A3 GLU 178 HB2 0.14 -0.06 -0.14 -0.04 2.09 1.99 2q51A3 GLU 178 HB3 0.09 0.02 0.11 -0.04 1.99 2.17 2q51A3 GLU 178 HG2 0.12 -0.06 -0.18 -0.04 2.34 2.17 2q51A3 GLU 178 HG3 0.07 0.07 -0.32 -0.04 2.34 2.12 2q51A3 VAL 179 H 0.11 0.50 0.21 -0.55 8.24 8.51 2q51A3 VAL 179 HA 0.05 0.49 1.30 -0.75 4.13 5.22 2q51A3 VAL 179 HB 0.04 -0.13 0.16 -0.04 2.12 2.14 2q51A3 VAL 179 HG13 0.02 0.03 -0.04 -0.04 0.97 0.93 2q51A3 VAL 179 HG23 0.05 0.02 -0.22 -0.04 0.95 0.76 2q51A3 GLY 180 H 0.03 0.86 0.36 -0.55 8.43 9.14 2q51A3 GLY 180 HA2 0.02 -0.12 0.50 -0.51 4.01 3.90 2q51A3 GLY 180 HA3 0.02 0.07 0.48 -0.51 4.01 4.08 2q51A3 PRO 181 HA 0.00 0.33 0.47 -0.51 4.44 4.73 2q51A3 PRO 181 HB2 -0.01 -0.05 -0.14 -0.04 2.28 2.04 2q51A3 PRO 181 HB3 -0.01 -0.00 -0.44 -0.04 2.02 1.52 2q51A3 PRO 181 HG2 -0.01 -0.07 0.08 -0.04 2.03 2.00 2q51A3 PRO 181 HG3 -0.01 0.02 0.03 -0.04 2.03 2.03 2q51A3 PRO 181 HD2 0.00 0.06 0.11 -0.04 3.68 3.82 2q51A3 PRO 181 HD3 -0.01 0.01 0.37 -0.04 3.65 3.98 2q51A3 GLN 182 H 0.00 0.40 0.17 -0.55 8.47 8.49 2q51A3 GLN 182 HA -0.01 0.10 0.51 -0.75 4.36 4.20 2q51A3 GLN 182 HB2 -0.01 0.08 -0.02 -0.04 2.15 2.16 2q51A3 GLN 182 HB3 -0.00 -0.06 -0.00 -0.04 2.02 1.91 2q51A3 GLN 182 HG2 -0.02 0.31 -0.18 -0.04 2.40 2.48 2q51A3 GLN 182 HG3 -0.02 -0.08 0.03 -0.04 2.39 2.28 2q51A3 GLN 182 HE21 -0.02 -0.29 0.14 -0.04 6.97 6.76 2q51A3 GLN 182 HE22 -0.01 0.04 0.04 -0.04 7.69 7.72 2q51A3 PRO 183 HA -0.02 0.01 0.65 -0.51 4.44 4.57 2q51A3 PRO 183 HB2 -0.03 0.15 0.05 -0.04 2.28 2.42 2q51A3 PRO 183 HB3 -0.02 0.04 0.12 -0.04 2.02 2.11 2q51A3 PRO 183 HG2 -0.02 -0.01 0.00 -0.04 2.03 1.96 2q51A3 PRO 183 HG3 -0.02 0.06 0.04 -0.04 2.03 2.07 2q51A3 PRO 183 HD2 -0.02 0.03 0.17 -0.04 3.68 3.82 2q51A3 PRO 183 HD3 -0.02 0.17 0.09 -0.04 3.65 3.85 2q51A3 GLN 184 H -0.03 0.04 0.20 -0.55 8.47 8.13 2q51A3 GLN 184 HA -0.02 0.07 0.51 -0.75 4.36 4.17 2q51A3 GLN 184 HB2 -0.04 0.02 0.09 -0.04 2.15 2.18 2q51A3 GLN 184 HB3 -0.03 0.02 0.01 -0.04 2.02 1.98 2q51A3 GLN 184 HG2 -0.04 0.01 0.00 -0.04 2.40 2.34 2q51A3 GLN 184 HG3 -0.04 -0.06 0.13 -0.04 2.39 2.38 2q51A3 GLN 184 HE21 -0.11 0.02 -0.00 -0.04 6.97 6.84 2q51A3 GLN 184 HE22 -0.10 -0.02 0.06 -0.04 7.69 7.60 2q51A3 GLY 185 H -0.01 0.53 0.29 -0.55 8.43 8.69 2q51A3 GLY 185 HA2 -0.01 0.06 0.38 -0.51 4.01 3.92 2q51A3 GLY 185 HA3 -0.02 0.08 0.48 -0.51 4.01 4.03 2q51A3 VAL 186 H -0.02 0.25 -0.27 -0.55 8.24 7.66 2q51A3 VAL 186 HA -0.01 0.21 0.87 -0.75 4.13 4.44 2q51A3 VAL 186 HB -0.02 0.09 -0.02 -0.04 2.12 2.12 2q51A3 VAL 186 HG13 -0.02 -0.02 -0.02 -0.04 0.97 0.86 2q51A3 VAL 186 HG23 -0.02 0.04 -0.19 -0.04 0.95 0.73 2q51A3 LEU 187 H -0.02 0.20 0.05 -0.55 8.37 8.05 2q51A3 LEU 187 HA -0.05 0.06 0.67 -0.75 4.35 4.28 2q51A3 LEU 187 HB2 -0.00 0.04 -0.17 -0.04 1.64 1.46 2q51A3 LEU 187 HB3 -0.03 0.02 0.15 -0.04 1.64 1.73 2q51A3 LEU 187 HG -0.01 0.01 -0.16 -0.04 1.64 1.44 2q51A3 LEU 187 HD13 -0.15 0.00 -0.05 -0.04 0.93 0.69 2q51A3 LEU 187 HD23 -0.20 -0.00 -0.22 -0.04 0.89 0.42 2q51A3 ARG 188 H -0.06 0.15 0.06 -0.55 8.46 8.06 2q51A3 ARG 188 HA -0.06 0.16 0.66 -0.75 4.34 4.34 2q51A3 ARG 188 HB2 -0.05 -0.01 0.12 -0.04 1.90 1.92 2q51A3 ARG 188 HB3 -0.05 -0.07 0.08 -0.04 1.80 1.72 2q51A3 ARG 188 HG2 -0.03 0.04 0.04 -0.04 1.67 1.68 2q51A3 ARG 188 HG3 -0.03 -0.06 0.03 -0.04 1.67 1.56 2q51A3 ARG 188 HD2 -0.02 0.03 0.07 -0.04 3.22 3.25 2q51A3 ARG 188 HD3 -0.02 0.09 0.14 -0.04 3.22 3.38 2q51A3 ALA 189 H -0.07 0.18 0.20 -0.55 8.40 8.16 2q51A3 ALA 189 HA -0.16 0.13 0.38 -0.75 4.34 3.93 2q51A3 ALA 189 HB3 -0.08 0.03 0.09 -0.04 1.41 1.42 2q51A3 ASP 190 H -0.05 0.05 -0.07 -0.55 8.40 7.78 2q51A3 ASP 190 HA -0.04 0.12 0.42 -0.75 4.63 4.39 2q51A3 ASP 190 HB2 -0.02 0.11 0.03 -0.04 2.71 2.79 2q51A3 ASP 190 HB3 -0.03 -0.02 0.09 -0.04 2.70 2.71 2q51A3 ILE 191 H -0.05 -0.01 -0.29 -0.55 8.25 7.35 2q51A3 ILE 191 HA -0.02 0.12 0.29 -0.75 4.18 3.81 2q51A3 ILE 191 HB -0.06 0.06 0.09 -0.04 1.89 1.93 2q51A3 ILE 191 HG12 -0.03 -0.13 0.04 -0.04 1.49 1.32 2q51A3 ILE 191 HG13 -0.02 -0.06 -0.02 -0.04 1.21 1.07 2q51A3 ILE 191 HG23 -0.02 0.00 -0.14 -0.04 0.93 0.73 2q51A3 ILE 191 HD13 -0.01 0.10 -0.15 -0.04 0.88 0.78 2q51A3 LEU 192 H -0.12 0.30 -0.19 -0.55 8.37 7.81 2q51A3 LEU 192 HA -0.10 0.00 0.27 -0.75 4.35 3.76 2q51A3 LEU 192 HB2 -0.29 -0.05 0.08 -0.04 1.64 1.34 2q51A3 LEU 192 HB3 -0.20 0.07 0.07 -0.04 1.64 1.54 2q51A3 LEU 192 HG -0.14 0.12 0.01 -0.04 1.64 1.59 2q51A3 LEU 192 HD13 -0.30 -0.04 0.01 -0.04 0.93 0.55 2q51A3 LEU 192 HD23 -0.40 -0.01 -0.04 -0.04 0.89 0.39 2q51A3 ASP 193 H -0.06 0.37 -0.18 -0.55 8.40 7.97 2q51A3 ASP 193 HA -0.02 -0.02 0.40 -0.75 4.63 4.24 2q51A3 ASP 193 HB2 -0.03 -0.08 0.12 -0.04 2.71 2.67 2q51A3 ASP 193 HB3 -0.03 0.09 0.12 -0.04 2.70 2.85 2q51A3 GLN 194 H -0.02 0.34 -0.36 -0.55 8.47 7.88 2q51A3 GLN 194 HA 0.00 -0.01 0.29 -0.75 4.36 3.90 2q51A3 GLN 194 HB2 -0.00 0.08 0.18 -0.04 2.15 2.37 2q51A3 GLN 194 HB3 0.01 -0.05 0.07 -0.04 2.02 2.00 2q51A3 GLN 194 HG2 -0.01 -0.05 -0.03 -0.04 2.40 2.28 2q51A3 GLN 194 HG3 -0.01 -0.08 -0.13 -0.04 2.39 2.13 2q51A3 GLN 194 HE21 0.01 0.03 -0.09 -0.04 6.97 6.88 2q51A3 GLN 194 HE22 0.00 -0.08 -0.15 -0.04 7.69 7.43 2q51A3 ARG 196 HA 0.11 -0.13 0.37 -0.75 4.34 3.93 2q51A3 ARG 196 HB2 0.02 0.07 0.15 -0.04 1.90 2.11 2q51A3 ARG 196 HB3 0.05 -0.07 -0.02 -0.04 1.80 1.72 2q51A3 ARG 196 HG2 0.20 -0.03 0.04 -0.04 1.67 1.84 2q51A3 ARG 196 HG3 0.08 -0.01 0.09 -0.04 1.67 1.79 2q51A3 ARG 196 HD2 0.06 -0.07 -0.02 -0.04 3.22 3.15 2q51A3 ARG 196 HD3 -0.01 -0.01 -0.09 -0.04 3.22 3.07 2q51A3 LYS 197 H 0.01 0.79 -0.21 -0.55 8.42 8.46 2q51A3 LYS 197 HA -0.03 -0.09 0.24 -0.75 4.32 3.69 2q51A3 LYS 197 HB2 0.02 0.15 0.12 -0.04 1.87 2.12 2q51A3 LYS 197 HB3 0.07 -0.03 0.13 -0.04 1.79 1.91 2q51A3 LYS 197 HG2 0.03 -0.09 0.05 -0.04 1.46 1.41 2q51A3 LYS 197 HG3 0.01 0.03 0.07 -0.04 1.46 1.52 2q51A3 LYS 197 HD2 0.01 0.05 -0.11 -0.04 1.69 1.59 2q51A3 LYS 197 HD3 0.02 0.02 0.02 -0.04 1.68 1.69 2q51A3 LYS 197 HE2 0.01 -0.03 0.00 -0.04 2.99 2.93 2q51A3 LYS 197 HE3 0.00 -0.04 -0.03 -0.04 2.99 2.89 2q51A3 ILE 199 HA -0.21 -0.10 0.24 -0.75 4.18 3.36 2q51A3 ILE 199 HB 0.05 0.08 0.08 -0.04 1.89 2.06 2q51A3 ILE 199 HG12 -0.10 -0.06 -0.02 -0.04 1.49 1.27 2q51A3 ILE 199 HG13 0.05 0.05 0.02 -0.04 1.21 1.28 2q51A3 ILE 199 HG23 -0.22 -0.02 -0.15 -0.04 0.93 0.50 2q51A3 ILE 199 HD13 0.35 -0.01 -0.06 -0.04 0.88 1.13 2q51A3 LYS 200 H -0.02 0.97 -0.31 -0.55 8.42 8.51 2q51A3 LYS 200 HA -0.05 -0.03 0.29 -0.75 4.32 3.77 2q51A3 LYS 200 HB2 -0.08 0.10 -0.03 -0.04 1.87 1.82 2q51A3 LYS 200 HB3 -0.28 0.18 0.13 -0.04 1.79 1.78 2q51A3 LYS 200 HG2 -0.30 -0.05 -0.23 -0.04 1.46 0.84 2q51A3 LYS 200 HG3 -0.09 -0.05 -0.02 -0.04 1.46 1.26 2q51A3 LYS 200 HD2 -0.10 0.01 -0.06 -0.04 1.69 1.49 2q51A3 LYS 200 HD3 -0.33 0.04 -0.03 -0.04 1.68 1.32 2q51A3 LYS 200 HE2 -0.05 -0.01 -0.03 -0.04 2.99 2.86 2q51A3 LYS 200 HE3 -0.05 -0.03 -0.03 -0.04 2.99 2.83 2q51A3 HIS 201 H -0.06 0.51 0.04 -0.55 8.41 8.36 2q51A3 HIS 201 HA 0.28 0.05 0.46 -0.75 4.63 4.66 2q51A3 HIS 201 HB2 0.02 0.06 0.08 -0.04 3.26 3.38 2q51A3 HIS 201 HB3 -0.01 -0.09 -0.06 -0.04 3.20 3.00 2q51A3 HIS 201 HD2 -0.06 0.22 0.12 -0.04 6.97 7.20 2q51A3 HIS 201 HE1 -0.06 -0.04 -0.02 -0.04 7.75 7.58 2q51A3 ALA 202 H 0.12 0.31 -0.23 -0.55 8.40 8.05 2q51A3 ALA 202 HA 0.47 0.03 0.47 -0.75 4.34 4.56 2q51A3 ALA 202 HB3 0.06 0.02 0.08 -0.04 1.41 1.52 2q51A3 LEU 203 H 0.13 0.31 -0.56 -0.55 8.37 7.71 2q51A3 LEU 203 HA 0.07 0.02 0.90 -0.75 4.35 4.58 2q51A3 LEU 203 HB2 -0.03 0.12 -0.04 -0.04 1.64 1.66 2q51A3 LEU 203 HB3 -0.03 -0.00 0.06 -0.04 1.64 1.63 2q51A3 LEU 203 HG -0.20 0.09 -0.32 -0.04 1.64 1.17 2q51A3 LEU 203 HD13 -0.21 0.02 -0.08 -0.04 0.93 0.61 2q51A3 LEU 203 HD23 -0.05 0.09 -0.15 -0.04 0.89 0.73 2q51A3 ASP 204 H 0.18 0.65 0.17 -0.55 8.40 8.86 2q51A3 ASP 204 HA 0.18 0.05 0.62 -0.75 4.63 4.72 2q51A3 ASP 204 HB2 0.13 0.27 0.12 -0.04 2.71 3.18 2q51A3 ASP 204 HB3 0.28 -0.04 0.21 -0.04 2.70 3.11 2q51A3 PHE 205 H 0.23 -0.25 -1.36 -0.55 8.34 6.41 2q51A3 PHE 205 HA -0.03 0.13 0.49 -0.75 4.62 4.45 2q51A3 PHE 205 HB2 -0.56 0.03 0.03 -0.04 3.15 2.61 2q51A3 PHE 205 HB3 0.15 0.26 0.06 -0.04 3.06 3.48 2q51A3 PHE 205 HD2 -0.00 0.01 -0.07 -0.04 7.28 7.18 2q51A3 PHE 205 HE2 -0.23 0.02 -0.12 -0.04 7.38 7.01 2q51A3 PHE 205 HZ -0.44 0.01 -0.11 -0.04 7.32 6.73 2q51A3 ILE 206 H -0.02 0.21 -0.24 -0.55 8.25 7.64 2q51A3 ILE 206 HA -0.58 0.07 0.34 -0.75 4.18 3.25 2q51A3 ILE 206 HB 0.00 0.01 0.18 -0.04 1.89 2.05 2q51A3 ILE 206 HG12 -0.14 -0.06 0.01 -0.04 1.49 1.26 2q51A3 ILE 206 HG13 -0.08 0.01 0.05 -0.04 1.21 1.16 2q51A3 ILE 206 HG23 -0.00 0.00 -0.15 -0.04 0.93 0.74 2q51A3 ILE 206 HD13 0.26 0.02 0.06 -0.04 0.88 1.18 2q51A3 HIS 207 H 0.09 0.39 -0.04 -0.55 8.41 8.31 2q51A3 HIS 207 HA -0.06 0.06 0.30 -0.75 4.63 4.18 2q51A3 HIS 207 HB2 -0.06 0.07 0.15 -0.04 3.26 3.39 2q51A3 HIS 207 HB3 -0.09 -0.01 0.09 -0.04 3.20 3.14 2q51A3 HIS 207 HD2 -0.11 0.03 -0.03 -0.04 6.97 6.82 2q51A3 HIS 207 HE1 -0.08 -0.03 0.04 -0.04 7.75 7.64 2q51A3 HIS 208 H 0.05 0.07 -0.63 -0.55 8.41 7.36 2q51A3 HIS 208 HA -0.07 0.05 0.37 -0.75 4.63 4.22 2q51A3 HIS 208 HB2 0.07 0.11 -0.08 -0.04 3.26 3.32 2q51A3 HIS 208 HB3 0.09 -0.03 -0.10 -0.04 3.20 3.11 2q51A3 HIS 208 HD2 0.03 0.12 -0.18 -0.04 6.97 6.89 2q51A3 HIS 208 HE1 -0.08 -0.03 -0.03 -0.04 7.75 7.56 2q51A3 PHE 209 H 0.06 0.48 -0.07 -0.55 8.34 8.25 2q51A3 PHE 209 HA 0.14 -0.04 0.54 -0.75 4.62 4.51 2q51A3 PHE 209 HB2 -0.35 0.03 0.03 -0.04 3.15 2.82 2q51A3 PHE 209 HB3 -0.21 0.08 0.11 -0.04 3.06 3.00 2q51A3 PHE 209 HD2 0.19 0.04 -0.13 -0.04 7.28 7.33 2q51A3 PHE 209 HE2 0.07 -0.02 -0.32 -0.04 7.38 7.07 2q51A3 PHE 209 HZ -0.07 0.11 -0.33 -0.04 7.32 6.99 2q51A3 ASN 210 H 0.09 0.65 -0.07 -0.55 8.53 8.65 2q51A3 ASN 210 HA 0.05 -0.01 0.50 -0.75 4.76 4.54 2q51A3 ASN 210 HB2 0.07 0.20 0.09 -0.04 2.88 3.19 2q51A3 ASN 210 HB3 0.07 -0.06 0.09 -0.04 2.79 2.86 2q51A3 ASN 210 HD21 -0.07 0.06 0.15 -0.04 7.03 7.13 2q51A3 ASN 210 HD22 -0.00 0.01 0.04 -0.04 7.74 7.75 2q51A3 GLU 211 H 0.01 0.18 -1.10 -0.55 8.60 7.13 2q51A3 GLU 211 HA -0.02 0.05 0.56 -0.75 4.29 4.13 2q51A3 GLU 211 HB2 0.06 0.21 0.10 -0.04 2.09 2.42 2q51A3 GLU 211 HB3 0.01 -0.11 0.12 -0.04 1.99 1.97 2q51A3 GLU 211 HG2 0.00 0.49 0.10 -0.04 2.34 2.89 2q51A3 GLU 211 HG3 -0.24 -0.15 -0.08 -0.04 2.34 1.83 2q51A3 GLY 212 H -0.20 0.54 -0.57 -0.55 8.43 7.65 2q51A3 GLY 212 HA2 -0.38 -0.02 0.43 -0.51 4.01 3.53 2q51A3 GLY 212 HA3 -0.17 -0.08 0.35 -0.51 4.01 3.60 2q51A3 LYS 213 H 0.03 0.17 0.00 -0.55 8.42 8.07 2q51A3 LYS 213 HA -0.07 0.06 0.54 -0.75 4.32 4.10 2q51A3 LYS 213 HB2 0.01 0.02 0.00 -0.04 1.87 1.86 2q51A3 LYS 213 HB3 0.14 -0.03 -0.08 -0.04 1.79 1.78 2q51A3 LYS 213 HG2 -0.60 0.21 -0.00 -0.04 1.46 1.02 2q51A3 LYS 213 HG3 -0.24 -0.08 0.10 -0.04 1.46 1.20 2q51A3 LYS 213 HD2 -0.21 -0.04 -0.03 -0.04 1.69 1.37 2q51A3 LYS 213 HD3 -0.24 -0.01 -0.09 -0.04 1.68 1.30 2q51A3 LYS 213 HE2 -0.19 -0.03 0.01 -0.04 2.99 2.73 2q51A3 LYS 213 HE3 -0.71 0.20 0.06 -0.04 2.99 2.49 2q51A3 GLU 214 H -0.23 0.07 0.17 -0.55 8.60 8.06 2q51A3 GLU 214 HA 0.03 0.35 1.00 -0.75 4.29 4.92 2q51A3 GLU 214 HB2 -0.05 0.02 -0.01 -0.04 2.09 2.01 2q51A3 GLU 214 HB3 -0.12 -0.05 0.07 -0.04 1.99 1.85 2q51A3 GLU 214 HG2 -0.03 -0.05 -0.10 -0.04 2.34 2.12 2q51A3 GLU 214 HG3 -0.03 0.01 -0.29 -0.04 2.34 1.98 2q51A3 PHE 215 H 0.17 0.30 0.16 -0.55 8.34 8.41 2q51A3 PHE 215 HA 0.02 0.15 0.77 -0.75 4.62 4.80 2q51A3 PHE 215 HB2 0.07 -0.14 0.19 -0.04 3.15 3.22 2q51A3 PHE 215 HB3 -0.00 0.06 0.05 -0.04 3.06 3.13 2q51A3 PHE 215 HD2 0.13 0.09 -0.10 -0.04 7.28 7.36 2q51A3 PHE 215 HE2 0.20 -0.02 -0.13 -0.04 7.38 7.39 2q51A3 PHE 215 HZ 0.25 -0.03 -0.12 -0.04 7.32 7.38 2q51A3 PRO 216 HA 0.03 0.00 0.34 -0.51 4.44 4.31 2q51A3 PRO 216 HB2 -0.00 0.15 0.10 -0.04 2.28 2.49 2q51A3 PRO 216 HB3 0.00 -0.06 0.09 -0.04 2.02 2.02 2q51A3 PRO 216 HG2 0.00 0.13 -0.13 -0.04 2.03 1.99 2q51A3 PRO 216 HG3 0.00 0.01 0.02 -0.04 2.03 2.02 2q51A3 PRO 216 HD2 0.08 0.14 0.19 -0.04 3.68 4.05 2q51A3 PRO 216 HD3 -0.01 0.10 0.06 -0.04 3.65 3.76 2q51A3 PRO 217 HA -0.01 -0.10 0.09 -0.51 4.44 3.91 2q51A3 PRO 217 HB2 -0.02 -0.02 0.09 -0.04 2.28 2.30 2q51A3 PRO 217 HB3 -0.02 0.16 0.11 -0.04 2.02 2.24 2q51A3 PRO 217 HG2 -0.00 0.01 0.09 -0.04 2.03 2.08 2q51A3 PRO 217 HG3 0.00 -0.04 0.08 -0.04 2.03 2.03 2q51A3 PRO 217 HD2 -0.00 0.08 0.19 -0.04 3.68 3.90 2q51A3 PRO 217 HD3 0.01 0.06 0.12 -0.04 3.65 3.79 2q51A3 CYS 218 H -0.06 0.15 -0.08 -0.55 8.50 7.96 2q51A3 CYS 218 HA -0.26 0.14 0.62 -0.75 4.58 4.32 2q51A3 CYS 218 HB2 -0.17 0.00 0.04 -0.04 2.97 2.81 2q51A3 CYS 218 HB3 -0.64 -0.05 0.14 -0.04 2.97 2.38 2q51A3 ALA 219 H -0.15 0.37 0.15 -0.55 8.40 8.22 2q51A3 ALA 219 HA -0.01 -0.05 0.28 -0.75 4.34 3.80 2q51A3 ALA 219 HB3 -0.01 0.06 -0.04 -0.04 1.41 1.38 2q51A3 ILE 220 H 0.01 0.16 0.05 -0.55 8.25 7.92 2q51A3 ILE 220 HA 0.02 0.18 0.65 -0.75 4.18 4.26 2q51A3 ILE 220 HB -0.00 0.10 0.00 -0.04 1.89 1.95 2q51A3 ILE 220 HG12 0.01 -0.13 -0.12 -0.04 1.49 1.22 2q51A3 ILE 220 HG13 0.03 -0.05 -0.54 -0.04 1.21 0.60 2q51A3 ILE 220 HG23 0.09 -0.00 -0.39 -0.04 0.93 0.58 2q51A3 ILE 220 HD13 0.19 0.04 -0.20 -0.04 0.88 0.87 2q51A3 GLU 221 H -0.09 0.21 0.15 -0.55 8.60 8.32 2q51A3 GLU 221 HA -0.09 0.03 0.88 -0.75 4.29 4.36 2q51A3 GLU 221 HB2 -0.12 -0.02 0.06 -0.04 2.09 1.97 2q51A3 GLU 221 HB3 -0.16 0.03 0.10 -0.04 1.99 1.92 2q51A3 GLU 221 HG2 -0.28 0.12 -0.04 -0.04 2.34 2.09 2q51A3 GLU 221 HG3 -0.19 -0.04 0.08 -0.04 2.34 2.15 2q51A3 VAL 222 H -0.13 0.27 0.30 -0.55 8.24 8.13 2q51A3 VAL 222 HA 0.06 0.20 0.86 -0.75 4.13 4.50 2q51A3 VAL 222 HB 0.08 -0.05 -0.04 -0.04 2.12 2.07 2q51A3 VAL 222 HG13 0.06 0.02 -0.39 -0.04 0.97 0.61 2q51A3 VAL 222 HG23 -0.02 -0.02 -0.19 -0.04 0.95 0.68 2q51A3 TYR 223 H 0.26 0.42 0.37 -0.55 8.29 8.80 2q51A3 TYR 223 HA 0.12 0.14 1.03 -0.75 4.56 5.09 2q51A3 TYR 223 HB2 0.56 -0.02 0.16 -0.04 3.06 3.71 2q51A3 TYR 223 HB3 0.47 0.01 -0.03 -0.04 2.98 3.39 2q51A3 TYR 223 HD2 0.13 0.00 -0.18 -0.04 7.15 7.06 2q51A3 TYR 223 HE2 -0.11 -0.02 -0.10 -0.04 6.85 6.58 2q51A3 LYS 224 H 0.10 0.33 0.33 -0.55 8.42 8.63 2q51A3 LYS 224 HA -0.07 0.47 0.82 -0.75 4.32 4.79 2q51A3 LYS 224 HB2 -0.01 0.00 0.02 -0.04 1.87 1.84 2q51A3 LYS 224 HB3 0.02 -0.02 0.10 -0.04 1.79 1.84 2q51A3 LYS 224 HG2 0.06 -0.09 -0.30 -0.04 1.46 1.09 2q51A3 LYS 224 HG3 0.03 0.07 -0.07 -0.04 1.46 1.44 2q51A3 LYS 224 HD2 0.01 -0.00 -0.06 -0.04 1.69 1.60 2q51A3 LYS 224 HD3 0.03 -0.03 -0.10 -0.04 1.68 1.54 2q51A3 LYS 224 HE2 0.03 0.03 -0.09 -0.04 2.99 2.92 2q51A3 LYS 224 HE3 0.02 0.00 -0.04 -0.04 2.99 2.93 2q51A3 ILE 225 H -0.00 0.19 0.23 -0.55 8.25 8.12 2q51A3 ILE 225 HA 0.18 0.07 0.93 -0.75 4.18 4.60 2q51A3 ILE 225 HB 0.32 0.00 -0.12 -0.04 1.89 2.06 2q51A3 ILE 225 HG12 0.09 0.02 -0.56 -0.04 1.49 1.01 2q51A3 ILE 225 HG13 0.14 0.12 -0.22 -0.04 1.21 1.20 2q51A3 ILE 225 HG23 0.05 0.03 0.05 -0.04 0.93 1.01 2q51A3 ILE 225 HD13 0.12 -0.03 -0.23 -0.04 0.88 0.71 2q51A3 ILE 226 H 0.11 0.55 0.37 -0.55 8.25 8.72 2q51A3 ILE 226 HA 0.05 0.19 1.00 -0.75 4.18 4.67 2q51A3 ILE 226 HB 0.05 -0.02 0.02 -0.04 1.89 1.90 2q51A3 ILE 226 HG12 0.06 0.01 0.04 -0.04 1.49 1.55 2q51A3 ILE 226 HG13 0.04 -0.04 -0.27 -0.04 1.21 0.90 2q51A3 ILE 226 HG23 0.09 0.02 -0.17 -0.04 0.93 0.82 2q51A3 ILE 226 HD13 0.05 -0.00 -0.12 -0.04 0.88 0.76 2q51A3 GLU 227 H 0.06 0.49 0.27 -0.55 8.60 8.87 2q51A3 GLU 227 HA 0.02 0.09 0.65 -0.75 4.29 4.29 2q51A3 GLU 227 HB2 0.01 0.08 -0.08 -0.04 2.09 2.06 2q51A3 GLU 227 HB3 0.01 -0.04 -0.02 -0.04 1.99 1.90 2q51A3 GLU 227 HG2 -0.02 0.03 0.09 -0.04 2.34 2.39 2q51A3 GLU 227 HG3 -0.01 -0.06 0.03 -0.04 2.34 2.27 2q51A3 LYS 228 H -0.02 0.13 0.13 -0.55 8.42 8.11 2q51A3 LYS 228 HA -0.06 0.02 0.74 -0.75 4.32 4.25 2q51A3 LYS 228 HB2 -0.05 -0.02 0.08 -0.04 1.87 1.84 2q51A3 LYS 228 HB3 -0.09 0.08 -0.10 -0.04 1.79 1.64 2q51A3 LYS 228 HG2 -0.09 0.03 -0.08 -0.04 1.46 1.28 2q51A3 LYS 228 HG3 -0.03 -0.04 -0.09 -0.04 1.46 1.25 2q51A3 LYS 228 HD2 -0.07 -0.00 -0.07 -0.04 1.69 1.51 2q51A3 LYS 228 HD3 -0.11 0.04 -0.10 -0.04 1.68 1.47 2q51A3 LYS 228 HE2 -0.31 0.01 -0.12 -0.04 2.99 2.53 2q51A3 LYS 228 HE3 -0.13 -0.01 -0.11 -0.04 2.99 2.70 2q51A3 VAL 229 H -0.26 0.46 0.24 -0.55 8.24 8.13 2q51A3 VAL 229 HA -0.15 0.13 0.91 -0.75 4.13 4.27 2q51A3 VAL 229 HB -0.79 0.05 0.20 -0.04 2.12 1.54 2q51A3 VAL 229 HG13 -0.24 -0.02 -0.01 -0.04 0.97 0.66 2q51A3 VAL 229 HG23 -0.27 0.01 -0.04 -0.04 0.95 0.61 2q51A3 ASP 230 H -0.07 0.11 0.12 -0.55 8.40 8.01 2q51A3 ASP 230 HA -0.10 0.17 0.56 -0.75 4.63 4.50 2q51A3 ASP 230 HB2 -0.03 -0.05 0.10 -0.04 2.71 2.68 2q51A3 ASP 230 HB3 -0.02 -0.04 0.04 -0.04 2.70 2.64 2q51A3 TYR 231 H 0.01 0.31 0.32 -0.55 8.29 8.39 2q51A3 TYR 231 HA -0.32 0.11 0.83 -0.75 4.56 4.42 2q51A3 TYR 231 HB2 -0.15 0.12 0.20 -0.04 3.06 3.19 2q51A3 TYR 231 HB3 -0.14 0.03 0.06 -0.04 2.98 2.89 2q51A3 TYR 231 HD2 -0.36 -0.03 -0.01 -0.04 7.15 6.72 2q51A3 TYR 231 HE2 -0.62 -0.06 -0.01 -0.04 6.85 6.13 2q51A3 PRO 232 HA 0.06 0.09 0.50 -0.51 4.44 4.58 2q51A3 PRO 232 HB2 0.04 -0.21 0.07 -0.04 2.28 2.14 2q51A3 PRO 232 HB3 0.10 0.05 0.05 -0.04 2.02 2.18 2q51A3 PRO 232 HG2 0.25 0.04 0.02 -0.04 2.03 2.30 2q51A3 PRO 232 HG3 0.27 0.11 -0.01 -0.04 2.03 2.37 2q51A3 PRO 232 HD2 -0.33 0.04 0.20 -0.04 3.68 3.56 2q51A3 PRO 232 HD3 -0.17 0.39 0.05 -0.04 3.65 3.88 2q51A3 ARG 233 H 0.03 0.19 0.15 -0.55 8.46 8.28 2q51A3 ARG 233 HA -0.01 0.18 1.03 -0.75 4.34 4.78 2q51A3 ARG 233 HB2 0.01 -0.07 0.03 -0.04 1.90 1.83 2q51A3 ARG 233 HB3 -0.00 0.13 0.08 -0.04 1.80 1.96 2q51A3 ARG 233 HG2 0.02 0.10 -0.53 -0.04 1.67 1.22 2q51A3 ARG 233 HG3 0.02 -0.01 -0.11 -0.04 1.67 1.53 2q51A3 ARG 233 HD2 0.01 -0.06 -0.09 -0.04 3.22 3.03 2q51A3 ARG 233 HD3 0.00 -0.00 -0.21 -0.04 3.22 2.97 2q51A3 ASP 234 H -0.02 0.23 -0.01 -0.55 8.40 8.06 2q51A3 ASP 234 HA 0.00 0.24 0.89 -0.75 4.63 5.01 2q51A3 ASP 234 HB2 -0.00 -0.07 0.17 -0.04 2.71 2.76 2q51A3 ASP 234 HB3 -0.00 0.03 0.05 -0.04 2.70 2.74 2q51A3 GLU 235 H 0.00 0.15 0.12 -0.55 8.60 8.32 2q51A3 GLU 235 HA 0.00 0.14 0.29 -0.75 4.29 3.96 2q51A3 GLU 235 HB2 0.00 0.04 0.17 -0.04 2.09 2.26 2q51A3 GLU 235 HB3 0.00 -0.01 0.16 -0.04 1.99 2.09 2q51A3 GLU 235 HG2 -0.00 -0.05 -0.01 -0.04 2.34 2.24 2q51A3 GLU 235 HG3 -0.00 0.05 -0.10 -0.04 2.34 2.25 2q51A3 ASN 236 H -0.01 0.18 -0.69 -0.55 8.53 7.47 2q51A3 ASN 236 HA -0.01 0.20 0.83 -0.75 4.76 5.03 2q51A3 ASN 236 HB2 -0.01 -0.06 -0.04 -0.04 2.88 2.73 2q51A3 ASN 236 HB3 -0.01 -0.02 -0.06 -0.04 2.79 2.65 2q51A3 ASN 236 HD21 -0.01 -0.01 -0.03 -0.04 7.03 6.94 2q51A3 ASN 236 HD22 -0.01 0.01 -0.13 -0.04 7.74 7.56 2q51A3 GLY 237 H -0.01 0.20 0.20 -0.55 8.43 8.27 2q51A3 GLY 237 HA2 -0.00 0.03 0.28 -0.51 4.01 3.81 2q51A3 GLY 237 HA3 -0.00 0.20 0.92 -0.51 4.01 4.62 2q51A3 GLU 238 H -0.02 -0.09 0.17 -0.55 8.60 8.11 2q51A3 GLU 238 HA -0.02 0.22 0.75 -0.75 4.29 4.49 2q51A3 GLU 238 HB2 -0.02 -0.06 -0.16 -0.04 2.09 1.81 2q51A3 GLU 238 HB3 -0.04 0.13 0.08 -0.04 1.99 2.12 2q51A3 GLU 238 HG2 -0.03 -0.00 -0.00 -0.04 2.34 2.27 2q51A3 GLU 238 HG3 -0.04 -0.09 0.13 -0.04 2.34 2.30 2q51A3 ILE 239 H -0.09 0.09 0.16 -0.55 8.25 7.87 2q51A3 ILE 239 HA -0.14 0.28 0.60 -0.75 4.18 4.17 2q51A3 ILE 239 HB -0.23 -0.05 0.13 -0.04 1.89 1.70 2q51A3 ILE 239 HG12 -0.54 0.07 0.09 -0.04 1.49 1.08 2q51A3 ILE 239 HG13 -0.17 -0.05 0.04 -0.04 1.21 0.99 2q51A3 ILE 239 HG23 -0.54 -0.02 -0.00 -0.04 0.93 0.33 2q51A3 ILE 239 HD13 -0.46 -0.01 0.05 -0.04 0.88 0.42 2q51A3 ALA 240 H -0.12 0.29 0.25 -0.55 8.40 8.29 2q51A3 ALA 240 HA -0.04 0.15 0.94 -0.75 4.34 4.63 2q51A3 ALA 240 HB3 -0.01 -0.06 -0.18 -0.04 1.41 1.12 2q51A3 ALA 241 H -0.05 0.15 0.20 -0.55 8.40 8.15 2q51A3 ALA 241 HA 0.00 0.10 0.91 -0.75 4.34 4.61 2q51A3 ALA 241 HB3 0.08 0.05 -0.03 -0.04 1.41 1.47 2q51A3 ILE 242 H 0.07 0.59 0.24 -0.55 8.25 8.59 2q51A3 ILE 242 HA 0.18 0.13 0.86 -0.75 4.18 4.60 2q51A3 ILE 242 HB 0.09 0.02 0.03 -0.04 1.89 1.98 2q51A3 ILE 242 HG12 0.02 -0.05 -0.05 -0.04 1.49 1.35 2q51A3 ILE 242 HG13 0.05 0.04 -0.09 -0.04 1.21 1.17 2q51A3 ILE 242 HG23 -0.08 -0.02 -0.33 -0.04 0.93 0.45 2q51A3 ILE 242 HD13 0.01 0.01 -0.10 -0.04 0.88 0.76 2q51A3 ILE 243 H 0.22 0.10 0.12 -0.55 8.25 8.13 2q51A3 ILE 243 HA 0.40 0.05 0.37 -0.75 4.18 4.25 2q51A3 ILE 243 HB 0.15 0.00 0.03 -0.04 1.89 2.03 2q51A3 ILE 243 HG12 0.08 -0.00 0.11 -0.04 1.49 1.63 2q51A3 ILE 243 HG13 0.13 -0.03 -0.01 -0.04 1.21 1.25 2q51A3 ILE 243 HG23 0.15 0.04 -0.27 -0.04 0.93 0.82 2q51A3 ILE 243 HD13 0.30 -0.00 0.04 -0.04 0.88 1.18 2q51A3 HIS 244 H 0.36 0.18 0.16 -0.55 8.41 8.56 2q51A3 HIS 244 HA 0.11 0.11 0.37 -0.75 4.63 4.46 2q51A3 HIS 244 HB2 0.10 0.18 -0.39 -0.04 3.26 3.11 2q51A3 HIS 244 HB3 0.05 -0.07 -0.07 -0.04 3.20 3.07 2q51A3 HIS 244 HD2 0.05 0.07 -0.15 -0.04 6.97 6.90 2q51A3 HIS 244 HE1 0.01 0.05 -0.02 -0.04 7.75 7.75 2q51A3 PRO 245 HA -0.02 0.08 0.35 -0.51 4.44 4.35 2q51A3 PRO 245 HB2 -0.06 0.05 -0.02 -0.04 2.28 2.21 2q51A3 PRO 245 HB3 -0.10 0.02 0.11 -0.04 2.02 2.01 2q51A3 PRO 245 HG2 -0.52 -0.03 0.02 -0.04 2.03 1.47 2q51A3 PRO 245 HG3 -0.32 0.06 0.05 -0.04 2.03 1.78 2q51A3 PRO 245 HD2 -1.37 0.03 0.18 -0.04 3.68 2.48 2q51A3 PRO 245 HD3 -0.30 0.16 0.15 -0.04 3.65 3.63 2q51A3 ASN 246 H 0.62 -0.06 -0.59 -0.55 8.53 7.96 2q51A3 ASN 246 HA 0.10 0.11 0.39 -0.75 4.76 4.61 2q51A3 ASN 246 HB2 0.27 -0.10 0.08 -0.04 2.88 3.08 2q51A3 ASN 246 HB3 0.04 0.10 -0.04 -0.04 2.79 2.84 2q51A3 ASN 246 HD21 0.02 -0.01 -0.00 -0.04 7.03 6.99 2q51A3 ASN 246 HD22 -0.08 0.03 0.01 -0.04 7.74 7.65 2q51A3 LEU 247 H 0.09 0.04 -0.00 -0.55 8.37 7.95 2q51A3 LEU 247 HA -0.08 0.08 0.30 -0.75 4.35 3.90 2q51A3 LEU 247 HB2 -0.08 0.14 0.10 -0.04 1.64 1.76 2q51A3 LEU 247 HB3 0.05 -0.07 0.05 -0.04 1.64 1.63 2q51A3 LEU 247 HG -0.13 -0.12 -0.28 -0.04 1.64 1.07 2q51A3 LEU 247 HD13 -0.36 -0.00 -0.03 -0.04 0.93 0.50 2q51A3 LEU 247 HD23 -0.27 -0.01 0.01 -0.04 0.89 0.58 2q51A3 GLN 248 H 0.06 0.32 -0.78 -0.55 8.47 7.52 2q51A3 GLN 248 HA 0.01 -0.21 0.25 -0.75 4.36 3.66 2q51A3 GLN 248 HB2 0.05 -0.03 -0.15 -0.04 2.15 1.98 2q51A3 GLN 248 HB3 0.03 0.43 -0.09 -0.04 2.02 2.35 2q51A3 GLN 248 HG2 0.02 -0.04 -0.08 -0.04 2.40 2.26 2q51A3 GLN 248 HG3 0.01 0.04 -0.35 -0.04 2.39 2.05 2q51A3 GLN 248 HE21 0.06 -0.00 -0.07 -0.04 6.97 6.91 2q51A3 GLN 248 HE22 0.06 0.04 -0.10 -0.04 7.69 7.64 2q51A3 ASP 249 H -0.03 -0.01 0.14 -0.55 8.40 7.96 2q51A3 ASP 249 HA -0.05 -0.16 0.37 -0.75 4.63 4.04 2q51A3 ASP 249 HB2 -0.02 0.34 0.11 -0.04 2.71 3.11 2q51A3 ASP 249 HB3 -0.02 -0.01 0.27 -0.04 2.70 2.90 2q51A3 GLN 250 H -0.10 0.48 -0.16 -0.55 8.47 8.14 2q51A3 GLN 250 HA -0.07 0.24 1.02 -0.75 4.36 4.79 2q51A3 GLN 250 HB2 -0.08 0.18 0.07 -0.04 2.15 2.28 2q51A3 GLN 250 HB3 -0.08 -0.11 0.15 -0.04 2.02 1.94 2q51A3 GLN 250 HG2 -0.03 0.20 -0.20 -0.04 2.40 2.33 2q51A3 GLN 250 HG3 -0.03 -0.12 -0.05 -0.04 2.39 2.15 2q51A3 GLN 250 HE21 -0.01 -0.06 0.06 -0.04 6.97 6.92 2q51A3 GLN 250 HE22 -0.01 0.01 -0.12 -0.04 7.69 7.52 2q51A3 ASP 251 H -0.21 0.17 -0.16 -0.55 8.40 7.64 2q51A3 ASP 251 HA -0.45 0.23 0.50 -0.75 4.63 4.17 2q51A3 ASP 251 HB2 -0.66 0.23 -0.05 -0.04 2.71 2.20 2q51A3 ASP 251 HB3 -1.19 -0.09 0.10 -0.04 2.70 1.48 2q51A3 TRP 252 H -0.63 0.53 0.13 -0.55 7.97 7.46 2q51A3 TRP 252 HA -0.37 -0.01 0.24 -0.75 4.62 3.72 2q51A3 TRP 252 HB2 -0.56 0.27 0.13 -0.04 3.23 3.03 2q51A3 TRP 252 HB3 -0.78 -0.06 0.10 -0.04 3.23 2.45 2q51A3 TRP 252 HD1 -0.69 0.16 -0.19 -0.04 7.22 6.45 2q51A3 TRP 252 HE1 -0.42 0.10 -0.28 -0.04 10.20 9.56 2q51A3 TRP 252 HE3 -1.27 0.06 -0.03 -0.04 7.59 6.30 2q51A3 TRP 252 HZ2 -0.30 0.02 -0.21 -0.04 7.44 6.91 2q51A3 TRP 252 HZ3 -0.40 -0.01 -0.09 -0.04 7.13 6.59 2q51A3 TRP 252 HH2 -0.07 -0.03 -0.18 -0.04 7.19 6.86 2q51A3 LYS 253 H -0.01 0.22 -0.74 -0.55 8.42 7.34 2q51A3 LYS 253 HA 0.30 0.12 0.69 -0.75 4.32 4.68 2q51A3 LYS 253 HB2 -0.05 0.09 -0.03 -0.04 1.87 1.83 2q51A3 LYS 253 HB3 0.02 -0.04 0.04 -0.04 1.79 1.77 2q51A3 LYS 253 HG2 0.01 0.17 -0.26 -0.04 1.46 1.33 2q51A3 LYS 253 HG3 0.01 -0.05 -0.05 -0.04 1.46 1.33 2q51A3 LYS 253 HD2 0.09 -0.07 -0.02 -0.04 1.69 1.65 2q51A3 LYS 253 HD3 0.17 0.04 -0.21 -0.04 1.68 1.63 2q51A3 LYS 253 HE2 0.06 -0.04 -0.02 -0.04 2.99 2.95 2q51A3 LYS 253 HE3 0.13 -0.05 -0.04 -0.04 2.99 2.98 2q51A3 PRO 254 HA -0.90 0.61 0.79 -0.51 4.44 4.43 2q51A3 PRO 254 HB2 -0.60 -0.08 -0.00 -0.04 2.28 1.56 2q51A3 PRO 254 HB3 -1.04 -0.00 0.03 -0.04 2.02 0.96 2q51A3 PRO 254 HG2 -0.18 -0.02 0.17 -0.04 2.03 1.96 2q51A3 PRO 254 HG3 0.05 0.01 0.09 -0.04 2.03 2.14 2q51A3 PRO 254 HD2 0.06 0.08 0.20 -0.04 3.68 3.98 2q51A3 PRO 254 HD3 0.44 0.17 0.21 -0.04 3.65 4.42 2q51A3 LEU 255 H -0.41 0.78 0.42 -0.55 8.37 8.62 2q51A3 LEU 255 HA -0.30 0.11 0.90 -0.75 4.35 4.30 2q51A3 LEU 255 HB2 -0.28 0.06 0.06 -0.04 1.64 1.44 2q51A3 LEU 255 HB3 -0.18 -0.08 0.18 -0.04 1.64 1.52 2q51A3 LEU 255 HG -0.10 0.06 -0.16 -0.04 1.64 1.39 2q51A3 LEU 255 HD13 -0.18 0.01 -0.02 -0.04 0.93 0.70 2q51A3 LEU 255 HD23 -0.12 -0.02 -0.03 -0.04 0.89 0.67 2q51A3 HIS 256 H -0.30 0.16 0.15 -0.55 8.41 7.87 2q51A3 HIS 256 HA -0.07 0.16 0.55 -0.75 4.63 4.51 2q51A3 HIS 256 HB2 -0.06 -0.09 0.06 -0.04 3.26 3.13 2q51A3 HIS 256 HB3 -0.05 0.00 0.09 -0.04 3.20 3.20 2q51A3 HIS 256 HD2 -0.05 -0.00 0.04 -0.04 6.97 6.91 2q51A3 HIS 256 HE1 -0.05 -0.01 -0.04 -0.04 7.75 7.62 2q51A3 PRO 257 HA -0.01 0.02 0.44 -0.51 4.44 4.38 2q51A3 PRO 257 HB2 0.00 -0.08 0.10 -0.04 2.28 2.26 2q51A3 PRO 257 HB3 -0.00 0.05 0.03 -0.04 2.02 2.06 2q51A3 PRO 257 HG2 0.01 -0.04 0.08 -0.04 2.03 2.04 2q51A3 PRO 257 HG3 0.01 0.18 -0.17 -0.04 2.03 2.01 2q51A3 PRO 257 HD2 0.06 0.03 0.14 -0.04 3.68 3.88 2q51A3 PRO 257 HD3 0.08 0.22 0.10 -0.04 3.65 4.01 2q51A3 GLY 258 H 0.01 0.07 -0.13 -0.55 8.43 7.83 2q51A3 GLY 258 HA2 -0.03 0.17 0.66 -0.51 4.01 4.30 2q51A3 GLY 258 HA3 -0.02 -0.03 0.29 -0.51 4.01 3.74 2q51A3 ASP 259 H -0.01 0.21 -0.29 -0.55 8.40 7.76 2q51A3 ASP 259 HA -0.06 0.02 0.38 -0.75 4.63 4.22 2q51A3 ASP 259 HB2 -0.07 0.17 0.10 -0.04 2.71 2.86 2q51A3 ASP 259 HB3 -0.09 0.08 0.07 -0.04 2.70 2.71 2q51A3 PRO 260 HA -0.16 0.19 0.21 -0.51 4.44 4.17 2q51A3 PRO 260 HB2 -1.21 -0.06 -0.02 -0.04 2.28 0.95 2q51A3 PRO 260 HB3 -0.60 0.04 0.06 -0.04 2.02 1.48 2q51A3 PRO 260 HG2 -0.32 -0.03 0.06 -0.04 2.03 1.71 2q51A3 PRO 260 HG3 -0.45 0.02 0.06 -0.04 2.03 1.62 2q51A3 PRO 260 HD2 -0.13 0.06 0.19 -0.04 3.68 3.76 2q51A3 PRO 260 HD3 -0.16 0.14 0.16 -0.04 3.65 3.75 2q51A3 PHE 262 HA 0.14 -0.11 0.23 -0.75 4.62 4.13 2q51A3 PHE 262 HB2 0.08 -0.05 0.05 -0.04 3.15 3.19 2q51A3 PHE 262 HB3 0.11 -0.04 -0.15 -0.04 3.06 2.95 2q51A3 PHE 262 HD2 0.08 -0.10 0.01 -0.04 7.28 7.22 2q51A3 PHE 262 HE2 -0.05 -0.03 -0.00 -0.04 7.38 7.26 2q51A3 PHE 262 HZ -0.29 0.06 0.00 -0.04 7.32 7.06 2q51A3 LEU 263 H 0.23 0.56 0.14 -0.55 8.37 8.76 2q51A3 LEU 263 HA 0.19 0.15 0.72 -0.75 4.35 4.66 2q51A3 LEU 263 HB2 -0.24 -0.10 0.08 -0.04 1.64 1.34 2q51A3 LEU 263 HB3 -0.02 0.06 0.06 -0.04 1.64 1.70 2q51A3 LEU 263 HG 0.00 0.08 -0.33 -0.04 1.64 1.35 2q51A3 LEU 263 HD13 0.01 -0.00 -0.10 -0.04 0.93 0.80 2q51A3 LEU 263 HD23 -0.13 -0.01 -0.05 -0.04 0.89 0.66 2q51A3 THR 264 H 0.08 0.54 0.12 -0.55 8.28 8.48 2q51A3 THR 264 HA 0.06 0.19 1.10 -0.75 4.39 4.99 2q51A3 THR 264 HB 0.04 -0.05 0.12 -0.04 4.32 4.39 2q51A3 THR 264 HG23 0.09 0.09 -0.10 -0.04 1.22 1.26 2q51A3 LEU 265 H 0.02 0.26 0.21 -0.55 8.37 8.31 2q51A3 LEU 265 HA 0.00 0.09 0.30 -0.75 4.35 3.99 2q51A3 LEU 265 HB2 0.00 -0.07 0.08 -0.04 1.64 1.62 2q51A3 LEU 265 HB3 -0.00 0.02 0.06 -0.04 1.64 1.67 2q51A3 LEU 265 HG -0.00 -0.05 0.25 -0.04 1.64 1.79 2q51A3 LEU 265 HD13 -0.02 -0.02 0.12 -0.04 0.93 0.97 2q51A3 LEU 265 HD23 -0.02 -0.01 -0.02 -0.04 0.89 0.81 2q51A3 ASP 266 H 0.02 -0.07 -0.39 -0.55 8.40 7.40 2q51A3 ASP 266 HA 0.01 0.11 0.57 -0.75 4.63 4.57 2q51A3 ASP 266 HB2 0.02 -0.12 0.11 -0.04 2.71 2.68 2q51A3 ASP 266 HB3 0.02 0.03 -0.00 -0.04 2.70 2.71 2q51A3 GLY 267 H 0.03 -0.28 0.03 -0.55 8.43 7.67 2q51A3 GLY 267 HA2 0.02 0.12 0.29 -0.51 4.01 3.93 2q51A3 GLY 267 HA3 0.02 0.11 0.59 -0.51 4.01 4.22 2q51A3 LYS 268 H 0.04 -0.13 0.18 -0.55 8.42 7.95 2q51A3 LYS 268 HA 0.05 0.19 0.69 -0.75 4.32 4.50 2q51A3 LYS 268 HB2 0.04 0.12 0.06 -0.04 1.87 2.05 2q51A3 LYS 268 HB3 0.04 -0.01 0.08 -0.04 1.79 1.85 2q51A3 LYS 268 HG2 0.04 -0.15 0.08 -0.04 1.46 1.39 2q51A3 LYS 268 HG3 0.06 0.05 -0.14 -0.04 1.46 1.39 2q51A3 LYS 268 HD2 0.04 0.10 -0.06 -0.04 1.69 1.73 2q51A3 LYS 268 HD3 0.03 -0.01 -0.00 -0.04 1.68 1.66 2q51A3 LYS 268 HE2 0.03 -0.07 -0.01 -0.04 2.99 2.90 2q51A3 LYS 268 HE3 0.04 0.03 -0.05 -0.04 2.99 2.97 2q51A3 THR 269 H 0.06 0.14 0.23 -0.55 8.28 8.16 2q51A3 THR 269 HA 0.17 0.28 1.07 -0.75 4.39 5.16 2q51A3 THR 269 HB 0.04 -0.05 0.21 -0.04 4.32 4.48 2q51A3 THR 269 HG23 -0.04 0.02 -0.16 -0.04 1.22 1.00 2q51A3 ILE 270 H 0.14 1.12 0.36 -0.55 8.25 9.32 2q51A3 ILE 270 HA 0.03 0.05 0.71 -0.75 4.18 4.21 2q51A3 ILE 270 HB 0.13 0.04 0.22 -0.04 1.89 2.24 2q51A3 ILE 270 HG12 0.11 -0.06 -0.11 -0.04 1.49 1.39 2q51A3 ILE 270 HG13 0.16 0.10 -0.10 -0.04 1.21 1.33 2q51A3 ILE 270 HG23 0.06 0.00 -0.06 -0.04 0.93 0.89 2q51A3 ILE 270 HD13 0.25 -0.04 -0.09 -0.04 0.88 0.96 2q51A3 PRO 271 HA -0.10 0.17 0.51 -0.51 4.44 4.51 2q51A3 PRO 271 HB2 -0.04 0.07 0.08 -0.04 2.28 2.34 2q51A3 PRO 271 HB3 -0.05 0.13 -0.06 -0.04 2.02 2.00 2q51A3 PRO 271 HG2 -0.03 -0.05 0.06 -0.04 2.03 1.98 2q51A3 PRO 271 HG3 -0.02 -0.03 0.09 -0.04 2.03 2.03 2q51A3 PRO 271 HD2 -0.01 -0.04 0.28 -0.04 3.68 3.86 2q51A3 PRO 271 HD3 -0.00 0.62 0.34 -0.04 3.65 4.57 2q51A3 LEU 272 H -0.09 0.28 0.11 -0.55 8.37 8.13 2q51A3 LEU 272 HA -0.11 -0.02 0.34 -0.75 4.35 3.80 2q51A3 LEU 272 HB2 -0.06 -0.01 0.03 -0.04 1.64 1.56 2q51A3 LEU 272 HB3 -0.04 -0.00 0.21 -0.04 1.64 1.76 2q51A3 LEU 272 HG -0.02 0.21 -0.17 -0.04 1.64 1.62 2q51A3 LEU 272 HD13 0.01 -0.04 -0.12 -0.04 0.93 0.74 2q51A3 LEU 272 HD23 -0.03 -0.11 -0.36 -0.04 0.89 0.35 2q51A3 GLY 273 H -0.02 0.14 0.19 -0.55 8.43 8.20 2q51A3 GLY 273 HA2 -0.02 -0.07 0.36 -0.51 4.01 3.78 2q51A3 GLY 273 HA3 -0.02 0.23 0.94 -0.51 4.01 4.65 2q51A3 GLY 274 H -0.00 0.06 0.14 -0.55 8.43 8.08 2q51A3 GLY 274 HA2 0.00 -0.01 0.34 -0.51 4.01 3.84 2q51A3 GLY 274 HA3 0.01 0.18 0.57 -0.51 4.01 4.25 2q51A3 ASP 275 H 0.01 0.16 0.03 -0.55 8.40 8.05 2q51A3 ASP 275 HA 0.01 0.19 0.88 -0.75 4.63 4.95 2q51A3 ASP 275 HB2 0.00 0.01 0.18 -0.04 2.71 2.86 2q51A3 ASP 275 HB3 0.00 0.03 0.01 -0.04 2.70 2.69 2q51A3 CYS 276 H 0.02 0.37 -0.07 -0.55 8.50 8.28 2q51A3 CYS 276 HA 0.03 0.01 0.43 -0.75 4.58 4.30 2q51A3 CYS 276 HB2 0.04 0.02 0.12 -0.04 2.97 3.11 2q51A3 CYS 276 HB3 0.03 0.13 -0.06 -0.04 2.97 3.03 2q51A3 THR 277 H 0.05 0.08 0.13 -0.55 8.28 8.00 2q51A3 THR 277 HA -0.01 0.17 0.51 -0.75 4.39 4.30 2q51A3 THR 277 HB 0.06 -0.03 0.11 -0.04 4.32 4.42 2q51A3 THR 277 HG23 -0.31 -0.01 -0.16 -0.04 1.22 0.69 2q51A3 VAL 278 H -0.26 0.24 0.24 -0.55 8.24 7.91 2q51A3 VAL 278 HA 0.05 0.12 0.71 -0.75 4.13 4.26 2q51A3 VAL 278 HB 0.08 0.23 0.18 -0.04 2.12 2.57 2q51A3 VAL 278 HG13 0.03 0.02 -0.26 -0.04 0.97 0.73 2q51A3 VAL 278 HG23 -0.03 0.04 -0.04 -0.04 0.95 0.89 2q51A3 TYR 279 H 0.27 0.32 0.01 -0.55 8.29 8.34 2q51A3 TYR 279 HA -0.03 0.57 0.81 -0.75 4.56 5.15 2q51A3 TYR 279 HB2 0.39 -0.09 -0.04 -0.04 3.06 3.28 2q51A3 TYR 279 HB3 0.15 -0.01 -0.31 -0.04 2.98 2.77 2q51A3 TYR 279 HD2 0.18 0.07 -0.37 -0.04 7.15 6.99 2q51A3 TYR 279 HE2 0.09 -0.02 -0.06 -0.04 6.85 6.83 2q51A3 PRO 280 HA -0.07 0.09 0.52 -0.51 4.44 4.47 2q51A3 PRO 280 HB2 -0.93 -0.08 -0.06 -0.04 2.28 1.17 2q51A3 PRO 280 HB3 -1.29 0.00 0.04 -0.04 2.02 0.73 2q51A3 PRO 280 HG2 -0.42 0.14 0.09 -0.04 2.03 1.80 2q51A3 PRO 280 HG3 -0.61 0.02 0.03 -0.04 2.03 1.44 2q51A3 PRO 280 HD2 -0.24 0.64 0.29 -0.04 3.68 4.34 2q51A3 PRO 280 HD3 -0.24 0.01 0.02 -0.04 3.65 3.40 2q51A3 VAL 281 H -0.08 0.60 0.37 -0.55 8.24 8.58 2q51A3 VAL 281 HA -0.89 0.07 0.78 -0.75 4.13 3.33 2q51A3 VAL 281 HB -0.31 0.01 0.01 -0.04 2.12 1.79 2q51A3 VAL 281 HG13 -1.30 0.01 -0.07 -0.04 0.97 -0.43 2q51A3 VAL 281 HG23 -0.83 0.10 -0.13 -0.04 0.95 0.04 2q51A3 PHE 282 H -0.76 0.22 0.05 -0.55 8.34 7.30 2q51A3 PHE 282 HA -0.14 0.02 0.22 -0.75 4.62 3.97 2q51A3 PHE 282 HB2 -0.15 0.05 -0.26 -0.04 3.15 2.76 2q51A3 PHE 282 HB3 0.04 0.02 0.18 -0.04 3.06 3.26 2q51A3 PHE 282 HD2 -0.16 -0.02 -0.09 -0.04 7.28 6.97 2q51A3 PHE 282 HE2 -0.18 0.01 -0.10 -0.04 7.38 7.06 2q51A3 PHE 282 HZ -0.04 0.03 -0.13 -0.04 7.32 7.14 2q51A3 VAL 283 H -0.15 0.02 -0.44 -0.55 8.24 7.12 2q51A3 VAL 283 HA 0.19 -0.02 0.12 -0.75 4.13 3.67 2q51A3 VAL 283 HB -0.09 -0.09 -0.06 -0.04 2.12 1.84 2q51A3 VAL 283 HG13 0.01 0.02 -0.25 -0.04 0.97 0.70 2q51A3 VAL 283 HG23 -0.31 0.02 -0.26 -0.04 0.95 0.35 2q51A3 ASN 284 H 0.13 0.01 -0.20 -0.55 8.53 7.92 2q51A3 ASN 284 HA -0.01 0.16 0.38 -0.75 4.76 4.54 2q51A3 ASN 284 HB2 0.10 -0.07 0.00 -0.04 2.88 2.87 2q51A3 ASN 284 HB3 0.11 0.01 -0.14 -0.04 2.79 2.73 2q51A3 ASN 284 HD21 0.41 0.00 -0.01 -0.04 7.03 7.39 2q51A3 ASN 284 HD22 0.20 -0.08 0.02 -0.04 7.74 7.84 2q51A3 GLU 285 H 0.15 0.36 -0.01 -0.55 8.60 8.56 2q51A3 GLU 285 HA 0.10 0.05 0.59 -0.75 4.29 4.28 2q51A3 GLU 285 HB2 0.25 -0.01 0.00 -0.04 2.09 2.29 2q51A3 GLU 285 HB3 0.28 0.19 0.08 -0.04 1.99 2.50 2q51A3 GLU 285 HG2 -0.54 0.11 -0.01 -0.04 2.34 1.86 2q51A3 GLU 285 HG3 -0.62 -0.25 -0.30 -0.04 2.34 1.12 2q51A3 ALA 286 H 0.00 0.08 0.19 -0.55 8.40 8.13 2q51A3 ALA 286 HA 0.07 0.15 0.38 -0.75 4.34 4.20 2q51A3 ALA 286 HB3 -0.07 0.01 0.16 -0.04 1.41 1.47 2q51A3 ALA 287 H -0.27 0.05 0.01 -0.55 8.40 7.64 2q51A3 ALA 287 HA -0.19 0.02 0.36 -0.75 4.34 3.78 2q51A3 ALA 287 HB3 -0.76 0.01 0.06 -0.04 1.41 0.68 2q51A3 TYR 288 H -0.38 0.23 -0.65 -0.55 8.29 6.94 2q51A3 TYR 288 HA 0.02 0.15 0.97 -0.75 4.56 4.94 2q51A3 TYR 288 HB2 -0.06 0.24 0.08 -0.04 3.06 3.29 2q51A3 TYR 288 HB3 -0.06 -0.03 0.10 -0.04 2.98 2.96 2q51A3 TYR 288 HD2 -0.11 0.12 -0.14 -0.04 7.15 6.98 2q51A3 TYR 288 HE2 -0.58 -0.00 -0.08 -0.04 6.85 6.14 2q51A3 TYR 289 H 0.24 0.59 -0.02 -0.55 8.29 8.55 2q51A3 TYR 289 HA 0.11 0.13 0.65 -0.75 4.56 4.71 2q51A3 TYR 289 HB2 0.00 0.09 0.18 -0.04 3.06 3.29 2q51A3 TYR 289 HB3 0.02 -0.03 -0.01 -0.04 2.98 2.92 2q51A3 TYR 289 HD2 -0.00 0.08 0.00 -0.04 7.15 7.19 2q51A3 TYR 289 HE2 -0.01 0.01 -0.17 -0.04 6.85 6.64 2q51A3 GLU 290 H 0.14 0.19 -0.07 -0.55 8.60 8.31 2q51A3 GLU 290 HA 0.09 0.05 0.31 -0.75 4.29 3.98 2q51A3 GLU 290 HB2 0.08 -0.01 0.12 -0.04 2.09 2.23 2q51A3 GLU 290 HB3 0.11 0.03 0.01 -0.04 1.99 2.09 2q51A3 GLU 290 HG2 0.08 0.05 -0.09 -0.04 2.34 2.33 2q51A3 GLU 290 HG3 0.07 -0.00 0.08 -0.04 2.34 2.44 2q51A3 LYS 291 H 0.11 0.10 -0.83 -0.55 8.42 7.25 2q51A3 LYS 291 HA 0.05 0.20 0.81 -0.75 4.32 4.64 2q51A3 LYS 291 HB2 0.06 0.03 -0.06 -0.04 1.87 1.85 2q51A3 LYS 291 HB3 0.03 0.01 0.08 -0.04 1.79 1.87 2q51A3 LYS 291 HG2 0.06 0.04 -0.11 -0.04 1.46 1.40 2q51A3 LYS 291 HG3 0.09 -0.14 -0.37 -0.04 1.46 1.00 2q51A3 LYS 291 HD2 0.10 0.01 -0.06 -0.04 1.69 1.69 2q51A3 LYS 291 HD3 0.04 0.01 -0.06 -0.04 1.68 1.64 2q51A3 LYS 291 HE2 0.10 -0.03 -0.05 -0.04 2.99 2.97 2q51A3 LYS 291 HE3 0.07 0.01 -0.06 -0.04 2.99 2.97 2q51A3 LYS 292 H 0.10 0.93 -0.10 -0.55 8.42 8.79 2q51A3 LYS 292 HA 0.16 0.00 0.38 -0.75 4.32 4.10 2q51A3 LYS 292 HB2 0.06 0.11 -0.01 -0.04 1.87 1.98 2q51A3 LYS 292 HB3 0.15 -0.08 0.18 -0.04 1.79 2.00 2q51A3 LYS 292 HG2 0.04 -0.01 0.02 -0.04 1.46 1.47 2q51A3 LYS 292 HG3 0.05 0.03 -0.24 -0.04 1.46 1.26 2q51A3 LYS 292 HD2 0.03 0.02 -0.11 -0.04 1.69 1.59 2q51A3 LYS 292 HD3 0.00 -0.07 -0.13 -0.04 1.68 1.43 2q51A3 LYS 292 HE2 0.01 -0.05 -0.01 -0.04 2.99 2.90 2q51A3 LYS 292 HE3 0.02 0.03 -0.06 -0.04 2.99 2.94 2q51A3 GLU 293 H 0.00 0.43 -0.03 -0.55 8.60 8.45 2q51A3 GLU 293 HA -0.16 0.20 0.78 -0.75 4.29 4.36 2q51A3 GLU 293 HB2 -0.04 -0.00 -0.13 -0.04 2.09 1.87 2q51A3 GLU 293 HB3 0.01 0.05 0.09 -0.04 1.99 2.10 2q51A3 GLU 293 HG2 -0.15 0.09 -0.20 -0.04 2.34 2.04 2q51A3 GLU 293 HG3 -0.11 -0.09 -0.14 -0.04 2.34 1.96 2q51A3 ALA 294 H -0.43 0.63 0.10 -0.55 8.40 8.15 2q51A3 ALA 294 HA -0.48 0.01 0.54 -0.75 4.34 3.65 2q51A3 ALA 294 HB3 -0.59 -0.00 0.15 -0.04 1.41 0.93 2q51A3 PHE 295 H -0.59 0.17 0.16 -0.55 8.34 7.54 2q51A3 PHE 295 HA -0.02 0.38 0.72 -0.75 4.62 4.94 2q51A3 PHE 295 HB2 -0.08 0.21 -0.08 -0.04 3.15 3.16 2q51A3 PHE 295 HB3 -0.05 -0.23 -0.12 -0.04 3.06 2.62 2q51A3 PHE 295 HD2 -0.02 0.01 -0.32 -0.04 7.28 6.91 2q51A3 PHE 295 HE2 -0.01 0.03 -0.06 -0.04 7.38 7.29 2q51A3 PHE 295 HZ -0.11 0.09 -0.05 -0.04 7.32 7.21 2q51A3 ALA 296 H 0.20 0.73 0.21 -0.55 8.40 9.00 2q51A3 ALA 296 HA 0.01 0.04 0.78 -0.75 4.34 4.42 2q51A3 ALA 296 HB3 0.11 -0.00 -0.07 -0.04 1.41 1.41 2q51A3 LYS 297 H 0.06 0.57 0.29 -0.55 8.42 8.79 2q51A3 LYS 297 HA 0.26 0.04 0.59 -0.75 4.32 4.45 2q51A3 LYS 297 HB2 0.10 -0.01 0.04 -0.04 1.87 1.95 2q51A3 LYS 297 HB3 0.05 0.37 0.31 -0.04 1.79 2.48 2q51A3 LYS 297 HG2 0.09 -0.08 -0.19 -0.04 1.46 1.24 2q51A3 LYS 297 HG3 0.12 0.05 -0.04 -0.04 1.46 1.54 2q51A3 LYS 297 HD2 0.03 -0.05 -0.04 -0.04 1.69 1.59 2q51A3 LYS 297 HD3 0.04 -0.01 -0.08 -0.04 1.68 1.59 2q51A3 LYS 297 HE2 0.03 0.07 -0.08 -0.04 2.99 2.98 2q51A3 LYS 297 HE3 0.02 -0.02 -0.07 -0.04 2.99 2.88 2q51A3 THR 298 H 0.18 0.20 0.09 -0.55 8.28 8.20 2q51A3 THR 298 HA 0.19 -0.07 1.07 -0.75 4.39 4.82 2q51A3 THR 298 HB 0.37 0.35 0.05 -0.04 4.32 5.05 2q51A3 THR 298 HG23 0.30 -0.01 -0.22 -0.04 1.22 1.25 2q51A3 THR 299 H 0.19 0.65 0.32 -0.55 8.28 8.89 2q51A3 THR 299 HA 0.20 0.16 0.88 -0.75 4.39 4.87 2q51A3 THR 299 HB 0.10 -0.00 -0.07 -0.04 4.32 4.30 2q51A3 THR 299 HG23 0.07 -0.01 -0.16 -0.04 1.22 1.08 2q51A3 LYS 300 H 0.17 0.18 0.11 -0.55 8.42 8.32 2q51A3 LYS 300 HA -0.21 0.19 0.90 -0.75 4.32 4.45 2q51A3 LYS 300 HB2 -0.00 -0.02 0.02 -0.04 1.87 1.83 2q51A3 LYS 300 HB3 0.02 -0.03 0.16 -0.04 1.79 1.90 2q51A3 LYS 300 HG2 -0.25 -0.04 -0.14 -0.04 1.46 0.98 2q51A3 LYS 300 HG3 -0.71 0.14 0.02 -0.04 1.46 0.86 2q51A3 LYS 300 HD2 -0.39 0.02 -0.04 -0.04 1.69 1.23 2q51A3 LYS 300 HD3 -0.71 0.03 -0.05 -0.04 1.68 0.90 2q51A3 LYS 300 HE2 -0.14 -0.04 -0.04 -0.04 2.99 2.74 2q51A3 LYS 300 HE3 -0.10 -0.03 -0.03 -0.04 2.99 2.78 2q51A3 LEU 301 H -0.11 0.27 0.26 -0.55 8.37 8.25 2q51A3 LEU 301 HA -0.04 0.12 0.87 -0.75 4.35 4.55 2q51A3 LEU 301 HB2 -0.02 0.01 0.04 -0.04 1.64 1.64 2q51A3 LEU 301 HB3 -0.01 -0.05 -0.06 -0.04 1.64 1.48 2q51A3 LEU 301 HG -0.03 -0.04 -0.05 -0.04 1.64 1.47 2q51A3 LEU 301 HD13 -0.03 0.01 -0.57 -0.04 0.93 0.29 2q51A3 LEU 301 HD23 -0.00 -0.01 -0.09 -0.04 0.89 0.75 2q51A3 THR 302 H -0.05 0.12 0.15 -0.55 8.28 7.95 2q51A3 THR 302 HA -0.09 0.12 0.90 -0.75 4.39 4.56 2q51A3 THR 302 HB -0.04 -0.01 0.09 -0.04 4.32 4.31 2q51A3 THR 302 HG23 -0.05 0.09 -0.01 -0.04 1.22 1.20 2q51A3 LEU 303 H -0.05 0.16 0.19 -0.55 8.37 8.13 2q51A3 LEU 303 HA -0.03 0.16 0.74 -0.75 4.35 4.46 2q51A3 LEU 303 HB2 -0.03 0.28 0.20 -0.04 1.64 2.05 2q51A3 LEU 303 HB3 -0.03 -0.16 0.17 -0.04 1.64 1.58 2q51A3 LEU 303 HG -0.04 -0.06 -0.03 -0.04 1.64 1.47 2q51A3 LEU 303 HD13 -0.02 0.03 -0.10 -0.04 0.93 0.79 2q51A3 LEU 303 HD23 -0.03 0.01 -0.13 -0.04 0.89 0.70 2q51A3 ASN 304 H -0.02 0.26 0.10 -0.55 8.53 8.32 2q51A3 ASN 304 HA -0.02 0.02 0.42 -0.75 4.76 4.43 2q51A3 ASN 304 HB2 -0.02 -0.07 -0.16 -0.04 2.88 2.59 2q51A3 ASN 304 HB3 -0.02 0.04 0.05 -0.04 2.79 2.82 2q51A3 ASN 304 HD21 -0.02 -0.07 0.01 -0.04 7.03 6.91 2q51A3 ASN 304 HD22 -0.01 -0.07 -0.05 -0.04 7.74 7.56 2q51A3 ALA 305 H -0.03 0.59 0.32 -0.55 8.40 8.74 2q51A3 ALA 305 HA -0.02 0.16 0.98 -0.75 4.34 4.71 2q51A3 ALA 305 HB3 -0.04 -0.06 -0.11 -0.04 1.41 1.15 2q51A3 LYS 306 H -0.01 0.13 0.13 -0.55 8.42 8.12 2q51A3 LYS 306 HA -0.00 0.17 0.87 -0.75 4.32 4.61 2q51A3 LYS 306 HB2 0.02 0.01 -0.03 -0.04 1.87 1.82 2q51A3 LYS 306 HB3 0.02 -0.02 0.17 -0.04 1.79 1.91 2q51A3 LYS 306 HG2 0.01 0.03 -0.02 -0.04 1.46 1.44 2q51A3 LYS 306 HG3 0.00 -0.07 -0.24 -0.04 1.46 1.11 2q51A3 LYS 306 HD2 0.02 -0.02 -0.02 -0.04 1.69 1.63 2q51A3 LYS 306 HD3 0.01 0.04 0.00 -0.04 1.68 1.69 2q51A3 LYS 306 HE2 0.01 0.02 -0.02 -0.04 2.99 2.95 2q51A3 LYS 306 HE3 0.00 -0.01 -0.04 -0.04 2.99 2.90 2q51A3 SER 307 H 0.03 0.09 0.11 -0.55 8.46 8.14 2q51A3 SER 307 HA 0.08 0.52 0.67 -0.75 4.49 5.01 2q51A3 SER 307 HB2 0.05 -0.09 0.04 -0.04 3.95 3.91 2q51A3 SER 307 HB3 0.06 0.13 0.08 -0.04 3.93 4.17 2q51A3 ILE 308 H 0.22 0.36 0.30 -0.55 8.25 8.58 2q51A3 ILE 308 HA 0.14 0.18 1.05 -0.75 4.18 4.79 2q51A3 ILE 308 HB 0.21 0.03 -0.01 -0.04 1.89 2.08 2q51A3 ILE 308 HG12 0.14 0.00 -0.01 -0.04 1.49 1.58 2q51A3 ILE 308 HG13 0.47 0.04 -0.30 -0.04 1.21 1.37 2q51A3 ILE 308 HG23 0.11 0.00 -0.31 -0.04 0.93 0.70 2q51A3 ILE 308 HD13 0.25 -0.00 -0.14 -0.04 0.88 0.95 2q51A3 ARG 309 H 0.17 0.27 0.18 -0.55 8.46 8.53 2q51A3 ARG 309 HA 0.22 0.28 0.70 -0.75 4.34 4.79 2q51A3 ARG 309 HB2 0.07 -0.02 -0.16 -0.04 1.90 1.75 2q51A3 ARG 309 HB3 0.05 -0.04 -0.04 -0.04 1.80 1.72 2q51A3 ARG 309 HG2 -0.04 0.02 -0.21 -0.04 1.67 1.39 2q51A3 ARG 309 HG3 -0.03 0.09 -0.05 -0.04 1.67 1.63 2q51A3 ARG 309 HD2 -0.02 0.02 -0.08 -0.04 3.22 3.10 2q51A3 ARG 309 HD3 -0.00 -0.07 -0.08 -0.04 3.22 3.03 2q51A3 CYS 310 H -0.23 0.16 0.03 -0.55 8.50 7.91 2q51A3 CYS 310 HA -0.08 0.32 0.74 -0.75 4.58 4.79 2q51A3 CYS 310 HB2 -1.86 -0.05 -0.10 -0.04 2.97 0.92 2q51A3 CYS 310 HB3 -0.80 0.06 0.16 -0.04 2.97 2.35