============================================================================= 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 -39.865 14.427 -70.769 -99.200 -91.000 PHE 9 1.000 -49.919 12.293 -53.142 -99.200 -91.000 HIS 13 0.900 -47.188 9.261 -41.237 -99.200 -91.000 PHE 21 1.000 -49.475 26.610 -41.688 -99.200 -91.000 HIS 25 0.900 -50.797 30.204 -49.200 -99.200 -91.000 TRP 26 1.040 -47.959 26.096 -51.520 -99.200 -91.000 TRP6 26 1.020 -46.121 24.692 -50.985 -99.200 -91.000 PHE 43 1.000 -55.190 14.781 -53.045 -99.200 -91.000 TYR 56 0.840 -53.810 4.907 -37.150 -99.200 -91.000 PHE 65 1.000 -51.658 5.524 -51.032 -99.200 -91.000 TYR 79 0.840 -60.910 8.757 -44.005 -99.200 -91.000 HIS 89 0.900 -59.879 5.461 -58.846 -99.200 -91.000 PHE 91 1.000 -52.811 13.050 -56.903 -99.200 -91.000 TYR 100 0.840 -49.687 13.209 -60.758 -99.200 -91.000 PHE 104 1.000 -40.710 15.823 -54.644 -99.200 -91.000 HIS 107 0.900 -44.796 11.238 -44.124 -99.200 -91.000 PHE 125 1.000 -33.949 11.775 -63.295 -99.200 -91.000 PHE 129 1.000 -33.922 10.439 -53.182 -99.200 -91.000 HIS 130 0.900 -24.316 13.661 -56.417 -99.200 -91.000 TYR 131 0.840 -29.577 19.731 -59.049 -99.200 -91.000 TYR 142 0.840 -27.731 14.046 -42.226 -99.200 -91.000 TYR 144 0.840 -33.984 5.128 -43.366 -99.200 -91.000 HIS 148 0.900 -39.510 -3.003 -47.958 -99.200 -91.000 TYR 153 0.840 -39.909 -0.889 -51.723 -99.200 -91.000 TYR 162 0.840 -39.017 8.412 -63.081 -99.200 -91.000 HIS 188 0.900 -34.874 26.462 -53.807 -99.200 -91.000 PHE 192 1.000 -32.669 16.429 -61.129 -99.200 -91.000 HIS 194 0.900 -39.232 23.794 -66.306 -99.200 -91.000 HIS 195 0.900 -33.934 24.575 -64.392 -99.200 -91.000 PHE 196 1.000 -32.966 14.240 -66.688 -99.200 -91.000 PHE 202 1.000 -27.018 15.517 -63.901 -99.200 -91.000 TYR 210 0.840 -26.142 8.204 -43.333 -99.200 -91.000 TYR 218 0.840 -37.554 2.357 -25.482 -99.200 -91.000 HIS 231 0.900 -26.343 7.164 -21.752 -99.200 -91.000 TRP 239 1.040 -29.352 11.671 -40.192 -99.200 -91.000 TRP6 239 1.020 -30.349 10.291 -41.854 -99.200 -91.000 HIS 243 0.900 -17.478 3.951 -33.105 -99.200 -91.000 PHE 248 1.000 -32.530 0.817 -25.794 -99.200 -91.000 TYR 265 0.840 -22.049 6.549 -39.246 -99.200 -91.000 PHE 268 1.000 -36.817 7.459 -39.327 -99.200 -91.000 TYR 274 0.840 -41.995 5.296 -36.719 -99.200 -91.000 TYR 275 0.840 -41.494 6.307 -27.340 -99.200 -91.000 PHE 281 1.000 -30.901 2.288 -31.894 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2q51A1 GLU 9 HA 0.05 -0.09 0.14 -0.75 4.29 3.63 2q51A1 GLU 9 HB2 0.04 0.18 0.08 -0.04 2.09 2.34 2q51A1 GLU 9 HB3 0.04 -0.08 0.11 -0.04 1.99 2.01 2q51A1 GLU 9 HG2 0.03 -0.03 0.05 -0.04 2.34 2.34 2q51A1 GLU 9 HG3 0.00 0.09 0.02 -0.04 2.34 2.41 2q51A1 HIS 10 H 0.12 0.08 0.05 -0.55 8.41 8.10 2q51A1 HIS 10 HA 0.04 0.18 0.77 -0.75 4.63 4.86 2q51A1 HIS 10 HB2 0.02 -0.00 -0.02 -0.04 3.26 3.22 2q51A1 HIS 10 HB3 0.01 0.09 0.14 -0.04 3.20 3.40 2q51A1 HIS 10 HD2 0.01 0.04 0.04 -0.04 6.97 7.01 2q51A1 HIS 10 HE1 0.10 -0.01 0.02 -0.04 7.75 7.81 2q51A1 ILE 11 H -1.45 0.07 0.14 -0.55 8.25 6.46 2q51A1 ILE 11 HA -0.13 0.16 0.66 -0.75 4.18 4.13 2q51A1 ILE 11 HB -0.54 0.01 0.06 -0.04 1.89 1.37 2q51A1 ILE 11 HG12 -0.12 -0.08 -0.07 -0.04 1.49 1.18 2q51A1 ILE 11 HG13 -0.01 0.04 -0.02 -0.04 1.21 1.18 2q51A1 ILE 11 HG23 -0.09 -0.05 0.10 -0.04 0.93 0.84 2q51A1 ILE 11 HD13 0.13 0.03 -0.08 -0.04 0.88 0.91 2q51A1 GLN 12 H -0.16 0.19 -0.01 -0.55 8.47 7.94 2q51A1 GLN 12 HA -0.13 0.04 0.38 -0.75 4.36 3.89 2q51A1 GLN 12 HB2 -0.14 -0.01 0.17 -0.04 2.15 2.13 2q51A1 GLN 12 HB3 -0.11 0.26 0.25 -0.04 2.02 2.38 2q51A1 GLN 12 HG2 -0.16 -0.07 -0.31 -0.04 2.40 1.82 2q51A1 GLN 12 HG3 -0.23 -0.28 0.09 -0.04 2.39 1.93 2q51A1 GLN 12 HE21 -0.08 0.06 -0.06 -0.04 6.97 6.85 2q51A1 GLN 12 HE22 -0.15 0.01 -0.07 -0.04 7.69 7.45 2q51A1 LYS 13 H -0.28 0.19 0.12 -0.55 8.42 7.89 2q51A1 LYS 13 HA -0.28 0.10 0.61 -0.75 4.32 4.00 2q51A1 LYS 13 HB2 -0.96 -0.00 0.17 -0.04 1.87 1.04 2q51A1 LYS 13 HB3 -1.84 0.04 0.05 -0.04 1.79 -0.01 2q51A1 LYS 13 HG2 -0.28 -0.02 0.02 -0.04 1.46 1.14 2q51A1 LYS 13 HG3 -0.30 0.01 0.08 -0.04 1.46 1.21 2q51A1 LYS 13 HD2 -0.29 0.14 0.05 -0.04 1.69 1.55 2q51A1 LYS 13 HD3 -0.42 0.01 0.04 -0.04 1.68 1.26 2q51A1 LYS 13 HE2 -0.10 -0.05 0.01 -0.04 2.99 2.81 2q51A1 LYS 13 HE3 -0.10 -0.01 0.02 -0.04 2.99 2.85 2q51A1 VAL 14 H 0.00 0.24 0.32 -0.55 8.24 8.25 2q51A1 VAL 14 HA 0.18 0.31 1.23 -0.75 4.13 5.09 2q51A1 VAL 14 HB 0.06 0.36 0.50 -0.04 2.12 2.99 2q51A1 VAL 14 HG13 0.08 -0.03 -0.10 -0.04 0.97 0.88 2q51A1 VAL 14 HG23 -0.02 -0.02 -0.04 -0.04 0.95 0.83 2q51A1 ALA 15 H 0.05 0.67 0.66 -0.55 8.40 9.23 2q51A1 ALA 15 HA 0.12 0.31 1.32 -0.75 4.34 5.34 2q51A1 ALA 15 HB3 -0.54 -0.03 0.01 -0.04 1.41 0.82 2q51A1 ILE 16 H 0.14 1.01 0.46 -0.55 8.25 9.31 2q51A1 ILE 16 HA 0.20 0.07 1.04 -0.75 4.18 4.73 2q51A1 ILE 16 HB 0.25 -0.02 0.11 -0.04 1.89 2.18 2q51A1 ILE 16 HG12 0.27 0.01 0.02 -0.04 1.49 1.76 2q51A1 ILE 16 HG13 0.23 -0.01 -0.34 -0.04 1.21 1.05 2q51A1 ILE 16 HG23 0.31 -0.01 -0.14 -0.04 0.93 1.05 2q51A1 ILE 16 HD13 0.09 0.00 -0.12 -0.04 0.88 0.81 2q51A1 PHE 17 H 0.13 0.98 0.42 -0.55 8.34 9.32 2q51A1 PHE 17 HA -0.02 0.32 0.99 -0.75 4.62 5.14 2q51A1 PHE 17 HB2 -0.06 0.05 0.25 -0.04 3.15 3.35 2q51A1 PHE 17 HB3 -0.09 -0.16 -0.04 -0.04 3.06 2.72 2q51A1 PHE 17 HD2 -0.20 -0.04 -0.27 -0.04 7.28 6.74 2q51A1 PHE 17 HE2 -1.19 0.08 -0.16 -0.04 7.38 6.07 2q51A1 PHE 17 HZ -0.81 0.06 -0.13 -0.04 7.32 6.40 2q51A1 GLY 18 H 0.00 0.67 0.45 -0.55 8.43 9.01 2q51A1 GLY 18 HA2 -0.03 0.16 0.84 -0.51 4.01 4.47 2q51A1 GLY 18 HA3 -0.01 0.18 0.38 -0.51 4.01 4.04 2q51A1 GLY 19 H -0.12 0.22 0.07 -0.55 8.43 8.06 2q51A1 GLY 19 HA2 -0.06 0.14 0.10 -0.51 4.01 3.69 2q51A1 GLY 19 HA3 -0.10 0.18 0.86 -0.51 4.01 4.44 2q51A1 THR 20 H -0.17 0.18 -0.01 -0.55 8.28 7.73 2q51A1 THR 20 HA -0.02 0.06 0.37 -0.75 4.39 4.05 2q51A1 THR 20 HB -0.37 0.08 0.08 -0.04 4.32 4.06 2q51A1 THR 20 HG23 -0.08 -0.01 -0.12 -0.04 1.22 0.97 2q51A1 HIS 21 H -0.09 0.16 -0.14 -0.55 8.41 7.79 2q51A1 HIS 21 HA 0.10 0.31 0.85 -0.75 4.63 5.14 2q51A1 HIS 21 HB2 0.09 0.01 0.20 -0.04 3.26 3.52 2q51A1 HIS 21 HB3 0.08 -0.05 0.07 -0.04 3.20 3.26 2q51A1 HIS 21 HD2 0.19 0.13 -0.05 -0.04 6.97 7.19 2q51A1 HIS 21 HE1 0.07 0.05 -0.03 -0.04 7.75 7.80 2q51A1 GLY 22 H 0.13 0.58 -0.07 -0.55 8.43 8.52 2q51A1 GLY 22 HA2 0.03 0.02 0.01 -0.51 4.01 3.56 2q51A1 GLY 22 HA3 0.04 0.35 -0.11 -0.51 4.01 3.77 2q51A1 ASN 23 H 0.04 0.00 -0.61 -0.55 8.53 7.41 2q51A1 ASN 23 HA -0.00 0.35 0.88 -0.75 4.76 5.23 2q51A1 ASN 23 HB2 -0.03 0.06 0.06 -0.04 2.88 2.94 2q51A1 ASN 23 HB3 -0.03 0.13 -0.91 -0.04 2.79 1.94 2q51A1 ASN 23 HD21 -0.07 -0.03 0.06 -0.04 7.03 6.95 2q51A1 ASN 23 HD22 -0.06 0.22 0.03 -0.04 7.74 7.89 2q51A1 GLU 24 H 0.04 0.45 -0.39 -0.55 8.60 8.16 2q51A1 GLU 24 HA 0.03 0.18 0.68 -0.75 4.29 4.42 2q51A1 GLU 24 HB2 0.12 0.15 0.18 -0.04 2.09 2.49 2q51A1 GLU 24 HB3 0.07 -0.07 0.18 -0.04 1.99 2.13 2q51A1 GLU 24 HG2 0.14 0.03 0.28 -0.04 2.34 2.74 2q51A1 GLU 24 HG3 0.08 0.03 0.10 -0.04 2.34 2.51 2q51A1 LEU 25 H -0.01 0.33 -0.01 -0.55 8.37 8.13 2q51A1 LEU 25 HA 0.01 0.12 0.42 -0.75 4.35 4.14 2q51A1 LEU 25 HB2 -0.06 0.27 -0.00 -0.04 1.64 1.80 2q51A1 LEU 25 HB3 -0.02 -0.04 -0.04 -0.04 1.64 1.50 2q51A1 LEU 25 HG -0.02 -0.10 -0.15 -0.04 1.64 1.33 2q51A1 LEU 25 HD13 -0.04 0.03 -0.32 -0.04 0.93 0.56 2q51A1 LEU 25 HD23 0.01 0.01 -0.16 -0.04 0.89 0.71 2q51A1 THR 26 H -0.02 0.21 -0.01 -0.55 8.28 7.91 2q51A1 THR 26 HA -0.03 0.08 0.38 -0.75 4.39 4.07 2q51A1 THR 26 HB -0.01 0.04 -0.07 -0.04 4.32 4.23 2q51A1 THR 26 HG23 -0.01 0.08 -0.30 -0.04 1.22 0.95 2q51A1 GLY 27 H 0.01 0.02 -0.54 -0.55 8.43 7.37 2q51A1 GLY 27 HA2 0.01 0.20 0.45 -0.51 4.01 4.16 2q51A1 GLY 27 HA3 0.00 -0.00 -0.01 -0.51 4.01 3.50 2q51A1 VAL 28 H 0.01 0.07 -0.35 -0.55 8.24 7.42 2q51A1 VAL 28 HA -0.04 0.08 0.65 -0.75 4.13 4.06 2q51A1 VAL 28 HB 0.01 0.02 0.05 -0.04 2.12 2.16 2q51A1 VAL 28 HG13 -0.01 0.01 -0.27 -0.04 0.97 0.66 2q51A1 VAL 28 HG23 -0.04 0.00 -0.20 -0.04 0.95 0.68 2q51A1 PHE 29 H 0.14 0.65 0.13 -0.55 8.34 8.70 2q51A1 PHE 29 HA -0.11 0.01 0.31 -0.75 4.62 4.07 2q51A1 PHE 29 HB2 -0.10 0.17 0.12 -0.04 3.15 3.30 2q51A1 PHE 29 HB3 -0.16 -0.11 0.10 -0.04 3.06 2.86 2q51A1 PHE 29 HD2 -0.11 0.01 -0.04 -0.04 7.28 7.10 2q51A1 PHE 29 HE2 -0.06 0.02 -0.05 -0.04 7.38 7.24 2q51A1 PHE 29 HZ -0.04 0.01 -0.05 -0.04 7.32 7.20 2q51A1 LEU 30 H -0.10 0.21 -0.14 -0.55 8.37 7.79 2q51A1 LEU 30 HA -0.79 -0.02 0.30 -0.75 4.35 3.09 2q51A1 LEU 30 HB2 -0.59 0.07 -0.15 -0.04 1.64 0.92 2q51A1 LEU 30 HB3 -2.17 0.01 -0.08 -0.04 1.64 -0.64 2q51A1 LEU 30 HG -0.17 -0.06 0.03 -0.04 1.64 1.40 2q51A1 LEU 30 HD13 -0.07 0.04 -0.03 -0.04 0.93 0.83 2q51A1 LEU 30 HD23 -0.25 0.01 0.03 -0.04 0.89 0.63 2q51A1 VAL 31 H -0.27 0.45 -0.48 -0.55 8.24 7.40 2q51A1 VAL 31 HA 0.02 0.06 0.43 -0.75 4.13 3.88 2q51A1 VAL 31 HB -0.07 0.12 0.06 -0.04 2.12 2.19 2q51A1 VAL 31 HG13 0.03 0.00 -0.46 -0.04 0.97 0.50 2q51A1 VAL 31 HG23 0.12 -0.00 -0.08 -0.04 0.95 0.95 2q51A1 LYS 32 H -0.20 0.52 0.02 -0.55 8.42 8.21 2q51A1 LYS 32 HA -0.09 0.02 0.25 -0.75 4.32 3.74 2q51A1 LYS 32 HB2 -0.29 0.12 0.07 -0.04 1.87 1.72 2q51A1 LYS 32 HB3 -0.16 -0.05 -0.03 -0.04 1.79 1.51 2q51A1 LYS 32 HG2 -0.11 0.04 -0.03 -0.04 1.46 1.31 2q51A1 LYS 32 HG3 -0.10 -0.04 -0.04 -0.04 1.46 1.24 2q51A1 LYS 32 HD2 -0.07 -0.00 -0.02 -0.04 1.69 1.56 2q51A1 LYS 32 HD3 -0.08 0.01 -0.05 -0.04 1.68 1.52 2q51A1 LYS 32 HE2 -0.06 -0.02 -0.04 -0.04 2.99 2.83 2q51A1 LYS 32 HE3 -0.06 -0.02 -0.08 -0.04 2.99 2.79 2q51A1 HIS 33 H -0.29 0.27 -0.57 -0.55 8.41 7.26 2q51A1 HIS 33 HA -0.13 0.04 0.52 -0.75 4.63 4.31 2q51A1 HIS 33 HB2 -0.38 -0.03 -0.02 -0.04 3.26 2.79 2q51A1 HIS 33 HB3 -0.57 0.23 0.03 -0.04 3.20 2.84 2q51A1 HIS 33 HD2 0.47 0.04 -0.39 -0.04 6.97 7.05 2q51A1 HIS 33 HE1 0.02 0.01 0.02 -0.04 7.75 7.77 2q51A1 TRP 34 H -0.03 0.49 -0.12 -0.55 7.97 7.76 2q51A1 TRP 34 HA 0.07 -0.07 0.47 -0.75 4.62 4.34 2q51A1 TRP 34 HB2 0.06 0.04 0.19 -0.04 3.23 3.48 2q51A1 TRP 34 HB3 0.08 -0.01 0.18 -0.04 3.23 3.44 2q51A1 TRP 34 HD1 0.30 -0.08 -0.35 -0.04 7.22 7.05 2q51A1 TRP 34 HE1 0.01 -0.02 -0.09 -0.04 10.20 10.06 2q51A1 TRP 34 HE3 0.06 -0.02 -0.13 -0.04 7.59 7.45 2q51A1 TRP 34 HZ2 -0.01 0.03 -0.04 -0.04 7.44 7.39 2q51A1 TRP 34 HZ3 0.02 -0.01 -0.10 -0.04 7.13 6.99 2q51A1 TRP 34 HH2 -0.01 0.04 -0.04 -0.04 7.19 7.14 2q51A1 LEU 35 H 0.06 -0.42 -0.72 -0.55 8.37 6.75 2q51A1 LEU 35 HA 0.10 0.08 0.49 -0.75 4.35 4.26 2q51A1 LEU 35 HB2 0.02 0.15 -0.15 -0.04 1.64 1.61 2q51A1 LEU 35 HB3 0.05 -0.09 0.05 -0.04 1.64 1.62 2q51A1 LEU 35 HG 0.14 0.18 -0.86 -0.04 1.64 1.06 2q51A1 LEU 35 HD13 0.02 -0.09 -0.20 -0.04 0.93 0.63 2q51A1 LEU 35 HD23 0.17 0.05 0.21 -0.04 0.89 1.28 2q51A1 GLU 36 H -0.06 -0.03 -0.11 -0.55 8.60 7.85 2q51A1 GLU 36 HA -0.07 0.11 0.77 -0.75 4.29 4.35 2q51A1 GLU 36 HB2 -0.39 -0.04 0.41 -0.04 2.09 2.03 2q51A1 GLU 36 HB3 -0.20 -0.05 0.16 -0.04 1.99 1.86 2q51A1 GLU 36 HG2 -0.08 -0.04 -0.00 -0.04 2.34 2.18 2q51A1 GLU 36 HG3 -0.11 0.85 0.24 -0.04 2.34 3.28 2q51A1 ASN 37 H -0.50 0.37 0.24 -0.55 8.53 8.09 2q51A1 ASN 37 HA -0.01 0.25 1.01 -0.75 4.76 5.26 2q51A1 ASN 37 HB2 -0.06 0.03 -0.01 -0.04 2.88 2.81 2q51A1 ASN 37 HB3 -0.05 0.00 0.21 -0.04 2.79 2.92 2q51A1 ASN 37 HD21 0.07 0.00 0.03 -0.04 7.03 7.09 2q51A1 ASN 37 HD22 0.06 0.01 0.03 -0.04 7.74 7.80 2q51A1 GLY 38 H 0.08 0.28 -0.22 -0.55 8.43 8.01 2q51A1 GLY 38 HA2 0.26 0.03 0.25 -0.51 4.01 4.04 2q51A1 GLY 38 HA3 0.10 0.14 0.27 -0.51 4.01 4.01 2q51A1 ALA 39 H 0.09 0.22 -0.58 -0.55 8.40 7.59 2q51A1 ALA 39 HA 0.01 0.06 0.39 -0.75 4.34 4.05 2q51A1 ALA 39 HB3 0.05 0.02 0.07 -0.04 1.41 1.51 2q51A1 GLU 40 H 0.10 0.14 -0.51 -0.55 8.60 7.78 2q51A1 GLU 40 HA 0.03 0.09 0.40 -0.75 4.29 4.05 2q51A1 GLU 40 HB2 0.20 -0.02 0.06 -0.04 2.09 2.30 2q51A1 GLU 40 HB3 0.30 -0.01 -0.01 -0.04 1.99 2.23 2q51A1 GLU 40 HG2 0.51 -0.01 -0.15 -0.04 2.34 2.64 2q51A1 GLU 40 HG3 0.04 0.04 0.08 -0.04 2.34 2.46 2q51A1 ILE 41 H -0.20 0.14 -0.30 -0.55 8.25 7.34 2q51A1 ILE 41 HA -0.23 0.16 0.74 -0.75 4.18 4.09 2q51A1 ILE 41 HB -0.55 -0.05 0.02 -0.04 1.89 1.28 2q51A1 ILE 41 HG12 -1.02 -0.10 -0.13 -0.04 1.49 0.20 2q51A1 ILE 41 HG13 -0.37 0.13 -0.08 -0.04 1.21 0.85 2q51A1 ILE 41 HG23 -1.32 -0.03 -0.31 -0.04 0.93 -0.78 2q51A1 ILE 41 HD13 -0.59 -0.01 -0.07 -0.04 0.88 0.17 2q51A1 GLN 42 H -0.11 0.06 0.05 -0.55 8.47 7.92 2q51A1 GLN 42 HA -0.07 0.04 0.69 -0.75 4.36 4.27 2q51A1 GLN 42 HB2 -0.03 -0.02 0.18 -0.04 2.15 2.25 2q51A1 GLN 42 HB3 -0.02 0.06 0.08 -0.04 2.02 2.10 2q51A1 GLN 42 HG2 -0.07 0.09 0.06 -0.04 2.40 2.44 2q51A1 GLN 42 HG3 -0.01 -0.07 -0.04 -0.04 2.39 2.23 2q51A1 GLN 42 HE21 0.03 0.12 0.10 -0.04 6.97 7.18 2q51A1 GLN 42 HE22 0.02 -0.08 0.01 -0.04 7.69 7.60 2q51A1 ARG 43 H -0.05 0.12 0.15 -0.55 8.46 8.12 2q51A1 ARG 43 HA 0.01 0.19 0.64 -0.75 4.34 4.43 2q51A1 ARG 43 HB2 0.01 -0.14 0.05 -0.04 1.90 1.78 2q51A1 ARG 43 HB3 0.06 0.04 0.05 -0.04 1.80 1.91 2q51A1 ARG 43 HG2 -0.06 -0.01 0.08 -0.04 1.67 1.63 2q51A1 ARG 43 HG3 -0.04 0.06 -0.04 -0.04 1.67 1.61 2q51A1 ARG 43 HD2 -0.04 0.04 -0.22 -0.04 3.22 2.97 2q51A1 ARG 43 HD3 -0.02 -0.00 -0.02 -0.04 3.22 3.13 2q51A1 THR 44 H 0.09 0.13 0.06 -0.55 8.28 8.01 2q51A1 THR 44 HA 0.03 0.30 0.96 -0.75 4.39 4.93 2q51A1 THR 44 HB 0.08 -0.01 0.26 -0.04 4.32 4.61 2q51A1 THR 44 HG23 0.04 0.01 0.03 -0.04 1.22 1.25 2q51A1 GLY 45 H -0.02 0.35 -0.29 -0.55 8.43 7.92 2q51A1 GLY 45 HA2 0.10 0.03 0.35 -0.51 4.01 3.98 2q51A1 GLY 45 HA3 0.40 0.07 0.47 -0.51 4.01 4.44 2q51A1 LEU 46 H -0.81 0.02 -0.02 -0.55 8.37 7.01 2q51A1 LEU 46 HA -0.26 0.14 0.50 -0.75 4.35 3.98 2q51A1 LEU 46 HB2 -0.76 0.00 0.05 -0.04 1.64 0.89 2q51A1 LEU 46 HB3 -0.35 -0.09 0.04 -0.04 1.64 1.20 2q51A1 LEU 46 HG -0.09 -0.01 -0.21 -0.04 1.64 1.29 2q51A1 LEU 46 HD13 -0.04 0.03 -0.03 -0.04 0.93 0.85 2q51A1 LEU 46 HD23 -0.00 0.10 -0.03 -0.04 0.89 0.91 2q51A1 GLU 47 H -0.08 0.25 0.18 -0.55 8.60 8.40 2q51A1 GLU 47 HA -0.04 0.15 1.02 -0.75 4.29 4.67 2q51A1 GLU 47 HB2 -0.04 0.03 -0.04 -0.04 2.09 2.00 2q51A1 GLU 47 HB3 -0.04 0.03 0.18 -0.04 1.99 2.11 2q51A1 GLU 47 HG2 0.01 0.02 -0.10 -0.04 2.34 2.24 2q51A1 GLU 47 HG3 -0.01 0.03 0.05 -0.04 2.34 2.36 2q51A1 VAL 48 H -0.00 0.20 0.14 -0.55 8.24 8.03 2q51A1 VAL 48 HA 0.08 0.17 0.96 -0.75 4.13 4.58 2q51A1 VAL 48 HB -0.02 0.01 -0.04 -0.04 2.12 2.03 2q51A1 VAL 48 HG13 0.08 -0.01 -0.25 -0.04 0.97 0.75 2q51A1 VAL 48 HG23 -0.01 0.01 -0.14 -0.04 0.95 0.77 2q51A1 LYS 49 H 0.19 0.90 0.37 -0.55 8.42 9.33 2q51A1 LYS 49 HA 0.17 0.23 1.05 -0.75 4.32 5.02 2q51A1 LYS 49 HB2 0.33 -0.04 0.03 -0.04 1.87 2.14 2q51A1 LYS 49 HB3 0.40 -0.08 0.21 -0.04 1.79 2.28 2q51A1 LYS 49 HG2 0.36 0.02 -0.22 -0.04 1.46 1.57 2q51A1 LYS 49 HG3 0.25 0.02 0.02 -0.04 1.46 1.71 2q51A1 LYS 49 HD2 0.35 0.00 -0.04 -0.04 1.69 1.97 2q51A1 LYS 49 HD3 0.87 -0.05 -0.09 -0.04 1.68 2.37 2q51A1 LYS 49 HE2 0.32 -0.05 -0.10 -0.04 2.99 3.11 2q51A1 LYS 49 HE3 0.19 0.03 -0.04 -0.04 2.99 3.13 2q51A1 PRO 50 HA 0.28 0.16 0.87 -0.51 4.44 5.24 2q51A1 PRO 50 HB2 0.38 0.05 0.11 -0.04 2.28 2.79 2q51A1 PRO 50 HB3 0.33 -0.06 0.09 -0.04 2.02 2.35 2q51A1 PRO 50 HG2 0.23 0.09 0.35 -0.04 2.03 2.66 2q51A1 PRO 50 HG3 0.21 -0.04 0.19 -0.04 2.03 2.34 2q51A1 PRO 50 HD2 0.15 0.11 0.35 -0.04 3.68 4.26 2q51A1 PRO 50 HD3 0.10 0.14 -0.02 -0.04 3.65 3.83 2q51A1 PHE 51 H 0.31 0.81 0.44 -0.55 8.34 9.35 2q51A1 PHE 51 HA 0.10 0.14 0.84 -0.75 4.62 4.95 2q51A1 PHE 51 HB2 0.21 0.07 -0.31 -0.04 3.15 3.08 2q51A1 PHE 51 HB3 -0.08 -0.06 -0.04 -0.04 3.06 2.84 2q51A1 PHE 51 HD2 -0.42 -0.02 -0.10 -0.04 7.28 6.70 2q51A1 PHE 51 HE2 -0.04 -0.04 -0.05 -0.04 7.38 7.21 2q51A1 PHE 51 HZ 0.05 -0.02 -0.02 -0.04 7.32 7.29 2q51A1 ILE 52 H -0.48 0.21 0.11 -0.55 8.25 7.53 2q51A1 ILE 52 HA -0.25 0.40 0.92 -0.75 4.18 4.49 2q51A1 ILE 52 HB -0.27 -0.00 0.14 -0.04 1.89 1.71 2q51A1 ILE 52 HG12 -0.10 0.01 -0.18 -0.04 1.49 1.18 2q51A1 ILE 52 HG13 -0.11 -0.02 -0.09 -0.04 1.21 0.96 2q51A1 ILE 52 HG23 -0.17 -0.02 -0.26 -0.04 0.93 0.44 2q51A1 ILE 52 HD13 -0.10 0.04 -0.07 -0.04 0.88 0.72 2q51A1 THR 53 H -0.34 0.19 -0.06 -0.55 8.28 7.52 2q51A1 THR 53 HA -0.52 0.16 0.34 -0.75 4.39 3.62 2q51A1 THR 53 HB -0.16 0.04 -0.12 -0.04 4.32 4.03 2q51A1 THR 53 HG23 -0.73 0.02 -0.11 -0.04 1.22 0.35 2q51A1 ASN 54 H -0.10 0.15 -0.27 -0.55 8.53 7.76 2q51A1 ASN 54 HA 0.05 0.27 0.98 -0.75 4.76 5.32 2q51A1 ASN 54 HB2 0.08 -0.01 0.05 -0.04 2.88 2.95 2q51A1 ASN 54 HB3 0.06 0.29 0.23 -0.04 2.79 3.33 2q51A1 ASN 54 HD21 0.32 -0.17 0.12 -0.04 7.03 7.27 2q51A1 ASN 54 HD22 0.18 0.09 0.17 -0.04 7.74 8.14 2q51A1 PRO 55 HA -0.04 0.07 0.32 -0.51 4.44 4.28 2q51A1 PRO 55 HB2 0.04 -0.02 0.05 -0.04 2.28 2.31 2q51A1 PRO 55 HB3 -0.02 0.06 0.05 -0.04 2.02 2.07 2q51A1 PRO 55 HG2 -0.02 0.08 0.04 -0.04 2.03 2.09 2q51A1 PRO 55 HG3 -0.13 0.13 -0.02 -0.04 2.03 1.96 2q51A1 PRO 55 HD2 0.10 0.02 0.13 -0.04 3.68 3.89 2q51A1 PRO 55 HD3 -0.08 0.55 -0.42 -0.04 3.65 3.66 2q51A1 ARG 56 H 0.12 0.15 -0.21 -0.55 8.46 7.96 2q51A1 ARG 56 HA -0.06 0.14 0.50 -0.75 4.34 4.17 2q51A1 ARG 56 HB2 -0.41 -0.04 0.04 -0.04 1.90 1.45 2q51A1 ARG 56 HB3 -0.34 0.03 -0.01 -0.04 1.80 1.44 2q51A1 ARG 56 HG2 -0.14 0.05 0.00 -0.04 1.67 1.54 2q51A1 ARG 56 HG3 -0.02 -0.00 -0.00 -0.04 1.67 1.60 2q51A1 ARG 56 HD2 -0.17 0.05 -0.01 -0.04 3.22 3.06 2q51A1 ARG 56 HD3 -0.96 -0.00 -0.01 -0.04 3.22 2.21 2q51A1 ALA 57 H 0.08 0.19 -0.19 -0.55 8.40 7.93 2q51A1 ALA 57 HA 0.00 0.11 0.41 -0.75 4.34 4.11 2q51A1 ALA 57 HB3 0.11 0.05 0.06 -0.04 1.41 1.58 2q51A1 VAL 58 H 0.00 0.26 -0.45 -0.55 8.24 7.50 2q51A1 VAL 58 HA -0.00 0.21 0.65 -0.75 4.13 4.24 2q51A1 VAL 58 HB -0.03 0.09 0.13 -0.04 2.12 2.28 2q51A1 VAL 58 HG13 -0.02 0.01 -0.16 -0.04 0.97 0.75 2q51A1 VAL 58 HG23 -0.03 0.02 -0.09 -0.04 0.95 0.81 2q51A1 LYS 59 H -0.02 0.52 0.07 -0.55 8.42 8.43 2q51A1 LYS 59 HA -0.02 0.03 0.18 -0.75 4.32 3.75 2q51A1 LYS 59 HB2 -0.03 0.05 0.15 -0.04 1.87 2.00 2q51A1 LYS 59 HB3 -0.04 0.00 0.11 -0.04 1.79 1.83 2q51A1 LYS 59 HG2 -0.03 0.02 -0.17 -0.04 1.46 1.24 2q51A1 LYS 59 HG3 -0.02 -0.01 0.02 -0.04 1.46 1.41 2q51A1 LYS 59 HD2 -0.02 -0.01 -0.01 -0.04 1.69 1.61 2q51A1 LYS 59 HD3 -0.03 -0.02 -0.03 -0.04 1.68 1.56 2q51A1 LYS 59 HE2 -0.02 0.01 -0.01 -0.04 2.99 2.93 2q51A1 LYS 59 HE3 -0.02 -0.01 -0.02 -0.04 2.99 2.90 2q51A1 LYS 60 H -0.03 0.32 -0.24 -0.55 8.42 7.92 2q51A1 LYS 60 HA -0.03 0.02 0.37 -0.75 4.32 3.92 2q51A1 LYS 60 HB2 -0.04 -0.02 -0.01 -0.04 1.87 1.76 2q51A1 LYS 60 HB3 -0.04 -0.00 -0.16 -0.04 1.79 1.54 2q51A1 LYS 60 HG2 -0.06 0.01 0.02 -0.04 1.46 1.39 2q51A1 LYS 60 HG3 -0.05 -0.04 -0.02 -0.04 1.46 1.30 2q51A1 LYS 60 HD2 -0.04 0.01 -0.00 -0.04 1.69 1.61 2q51A1 LYS 60 HD3 -0.04 0.02 0.00 -0.04 1.68 1.62 2q51A1 LYS 60 HE2 -0.04 -0.01 -0.01 -0.04 2.99 2.89 2q51A1 LYS 60 HE3 -0.04 -0.01 -0.00 -0.04 2.99 2.90 2q51A1 CYS 61 H -0.02 0.07 -0.65 -0.55 8.50 7.35 2q51A1 CYS 61 HA -0.01 0.23 0.28 -0.75 4.58 4.32 2q51A1 CYS 61 HB2 -0.02 0.07 -0.10 -0.04 2.97 2.89 2q51A1 CYS 61 HB3 -0.03 0.17 0.58 -0.04 2.97 3.65 2q51A1 THR 62 H -0.01 0.69 -0.07 -0.55 8.28 8.34 2q51A1 THR 62 HA -0.06 0.06 0.68 -0.75 4.39 4.32 2q51A1 THR 62 HB -0.06 0.15 -0.60 -0.04 4.32 3.76 2q51A1 THR 62 HG23 -0.05 0.00 -0.10 -0.04 1.22 1.04 2q51A1 ARG 63 H -0.07 0.20 0.06 -0.55 8.46 8.09 2q51A1 ARG 63 HA 0.03 -0.14 0.34 -0.75 4.34 3.81 2q51A1 ARG 63 HB2 -0.12 0.04 0.14 -0.04 1.90 1.92 2q51A1 ARG 63 HB3 -0.24 -0.00 0.10 -0.04 1.80 1.62 2q51A1 ARG 63 HG2 0.01 0.04 -0.03 -0.04 1.67 1.64 2q51A1 ARG 63 HG3 0.19 -0.01 -0.19 -0.04 1.67 1.62 2q51A1 ARG 63 HD2 -0.35 -0.05 0.04 -0.04 3.22 2.83 2q51A1 ARG 63 HD3 -0.22 0.01 0.05 -0.04 3.22 3.02 2q51A1 TYR 64 H -0.40 0.16 -0.09 -0.55 8.29 7.41 2q51A1 TYR 64 HA 0.09 0.20 0.70 -0.75 4.56 4.79 2q51A1 TYR 64 HB2 0.11 -0.15 0.13 -0.04 3.06 3.11 2q51A1 TYR 64 HB3 0.12 0.03 -0.14 -0.04 2.98 2.95 2q51A1 TYR 64 HD2 0.06 -0.09 -0.41 -0.04 7.15 6.67 2q51A1 TYR 64 HE2 0.03 0.10 -0.26 -0.04 6.85 6.68 2q51A1 ILE 65 H 0.34 -0.04 0.21 -0.55 8.25 8.21 2q51A1 ILE 65 HA 0.06 0.35 1.03 -0.75 4.18 4.85 2q51A1 ILE 65 HB 0.10 -0.10 0.02 -0.04 1.89 1.86 2q51A1 ILE 65 HG12 0.08 -0.12 -0.15 -0.04 1.49 1.26 2q51A1 ILE 65 HG13 -0.19 -0.03 -0.18 -0.04 1.21 0.77 2q51A1 ILE 65 HG23 -0.06 0.03 0.02 -0.04 0.93 0.88 2q51A1 ILE 65 HD13 -0.05 0.09 -0.25 -0.04 0.88 0.63 2q51A1 ASP 66 H 0.34 -0.23 0.21 -0.55 8.40 8.17 2q51A1 ASP 66 HA 0.18 0.32 0.88 -0.75 4.63 5.25 2q51A1 ASP 66 HB2 0.13 -0.20 0.06 -0.04 2.71 2.66 2q51A1 ASP 66 HB3 0.09 0.10 0.11 -0.04 2.70 2.96 2q51A1 CYS 67 H 0.01 -0.02 0.24 -0.55 8.50 8.17 2q51A1 CYS 67 HA -0.99 0.15 0.46 -0.75 4.58 3.45 2q51A1 CYS 67 HB2 -0.20 0.05 0.00 -0.04 2.97 2.79 2q51A1 CYS 67 HB3 -0.14 0.20 -0.25 -0.04 2.97 2.74 2q51A1 ASP 68 H -0.43 0.23 0.06 -0.55 8.40 7.70 2q51A1 ASP 68 HA 0.12 0.05 0.36 -0.75 4.63 4.40 2q51A1 ASP 68 HB2 -0.00 0.07 0.11 -0.04 2.71 2.85 2q51A1 ASP 68 HB3 0.05 0.02 0.13 -0.04 2.70 2.87 2q51A1 LEU 69 H 0.17 0.26 0.37 -0.55 8.37 8.62 2q51A1 LEU 69 HA 0.10 0.11 0.34 -0.75 4.35 4.14 2q51A1 LEU 69 HB2 0.14 -0.01 0.26 -0.04 1.64 1.99 2q51A1 LEU 69 HB3 0.16 0.05 0.15 -0.04 1.64 1.96 2q51A1 LEU 69 HG 0.48 -0.03 -0.03 -0.04 1.64 2.02 2q51A1 LEU 69 HD13 0.04 -0.02 0.09 -0.04 0.93 0.99 2q51A1 LEU 69 HD23 0.11 -0.01 -0.11 -0.04 0.89 0.85 2q51A1 ASN 70 H 0.21 0.01 -0.53 -0.55 8.53 7.67 2q51A1 ASN 70 HA 0.21 0.08 0.56 -0.75 4.76 4.85 2q51A1 ASN 70 HB2 0.05 -0.01 -0.00 -0.04 2.88 2.87 2q51A1 ASN 70 HB3 0.28 0.03 -0.06 -0.04 2.79 3.00 2q51A1 ASN 70 HD21 0.02 0.04 0.00 -0.04 7.03 7.05 2q51A1 ASN 70 HD22 0.17 0.01 -0.03 -0.04 7.74 7.84 2q51A1 ARG 71 H 0.15 0.58 -0.35 -0.55 8.46 8.29 2q51A1 ARG 71 HA 0.14 0.13 0.69 -0.75 4.34 4.54 2q51A1 ARG 71 HB2 0.06 0.06 -0.01 -0.04 1.90 1.97 2q51A1 ARG 71 HB3 0.07 0.01 0.08 -0.04 1.80 1.92 2q51A1 ARG 71 HG2 0.13 0.05 -0.30 -0.04 1.67 1.51 2q51A1 ARG 71 HG3 0.13 -0.13 -0.16 -0.04 1.67 1.47 2q51A1 ARG 71 HD2 0.10 -0.07 -0.05 -0.04 3.22 3.16 2q51A1 ARG 71 HD3 0.05 0.03 -0.03 -0.04 3.22 3.23 2q51A1 ILE 72 H 0.20 0.21 -0.29 -0.55 8.25 7.83 2q51A1 ILE 72 HA 0.03 0.17 0.93 -0.75 4.18 4.56 2q51A1 ILE 72 HB -0.10 -0.02 0.11 -0.04 1.89 1.84 2q51A1 ILE 72 HG12 0.04 -0.05 -0.09 -0.04 1.49 1.36 2q51A1 ILE 72 HG13 -0.09 0.19 -0.04 -0.04 1.21 1.22 2q51A1 ILE 72 HG23 -0.02 -0.02 -0.33 -0.04 0.93 0.52 2q51A1 ILE 72 HD13 -0.10 -0.03 -0.21 -0.04 0.88 0.50 2q51A1 PHE 73 H 0.27 1.03 -0.08 -0.55 8.34 9.01 2q51A1 PHE 73 HA 0.07 0.14 0.83 -0.75 4.62 4.90 2q51A1 PHE 73 HB2 0.10 0.10 -0.60 -0.04 3.15 2.72 2q51A1 PHE 73 HB3 0.10 0.02 -0.06 -0.04 3.06 3.08 2q51A1 PHE 73 HD2 0.10 -0.01 -0.13 -0.04 7.28 7.20 2q51A1 PHE 73 HE2 0.09 -0.00 -0.03 -0.04 7.38 7.40 2q51A1 PHE 73 HZ 0.04 -0.02 -0.05 -0.04 7.32 7.25 2q51A1 ASP 74 H 0.01 0.25 -0.20 -0.55 8.40 7.91 2q51A1 ASP 74 HA 0.09 0.19 0.39 -0.75 4.63 4.55 2q51A1 ASP 74 HB2 0.07 -0.01 0.08 -0.04 2.71 2.80 2q51A1 ASP 74 HB3 0.12 0.30 -0.19 -0.04 2.70 2.88 2q51A1 LEU 75 H 0.04 0.26 0.07 -0.55 8.37 8.19 2q51A1 LEU 75 HA 0.02 0.09 0.30 -0.75 4.35 4.01 2q51A1 LEU 75 HB2 0.02 0.09 0.15 -0.04 1.64 1.86 2q51A1 LEU 75 HB3 0.01 -0.21 0.16 -0.04 1.64 1.56 2q51A1 LEU 75 HG 0.01 0.01 -0.08 -0.04 1.64 1.53 2q51A1 LEU 75 HD13 0.02 0.02 0.00 -0.04 0.93 0.93 2q51A1 LEU 75 HD23 0.01 0.01 -0.02 -0.04 0.89 0.85 2q51A1 GLU 76 H 0.00 0.11 -0.09 -0.55 8.60 8.08 2q51A1 GLU 76 HA -0.01 0.04 0.28 -0.75 4.29 3.85 2q51A1 GLU 76 HB2 -0.01 0.03 0.02 -0.04 2.09 2.09 2q51A1 GLU 76 HB3 -0.00 -0.05 -0.03 -0.04 1.99 1.87 2q51A1 GLU 76 HG2 -0.00 -0.08 -0.16 -0.04 2.34 2.05 2q51A1 GLU 76 HG3 -0.01 0.02 -0.22 -0.04 2.34 2.09 2q51A1 ASN 77 H -0.01 0.10 -0.41 -0.55 8.53 7.66 2q51A1 ASN 77 HA -0.03 0.10 0.83 -0.75 4.76 4.90 2q51A1 ASN 77 HB2 -0.07 0.07 0.09 -0.04 2.88 2.92 2q51A1 ASN 77 HB3 -0.07 -0.04 0.02 -0.04 2.79 2.65 2q51A1 ASN 77 HD21 -0.02 0.01 -0.13 -0.04 7.03 6.86 2q51A1 ASN 77 HD22 -0.03 0.08 -0.22 -0.04 7.74 7.54 2q51A1 LEU 78 H -0.04 0.46 0.20 -0.55 8.37 8.44 2q51A1 LEU 78 HA -0.07 -0.03 0.34 -0.75 4.35 3.84 2q51A1 LEU 78 HB2 0.00 -0.05 -0.17 -0.04 1.64 1.38 2q51A1 LEU 78 HB3 0.00 -0.00 -0.07 -0.04 1.64 1.53 2q51A1 LEU 78 HG -0.05 -0.22 0.05 -0.04 1.64 1.37 2q51A1 LEU 78 HD13 0.08 -0.02 -0.18 -0.04 0.93 0.76 2q51A1 LEU 78 HD23 -0.18 0.02 -0.14 -0.04 0.89 0.54 2q51A1 GLY 79 H -0.01 0.70 -0.12 -0.55 8.43 8.46 2q51A1 GLY 79 HA2 0.00 -0.03 0.24 -0.51 4.01 3.71 2q51A1 GLY 79 HA3 -0.00 -0.09 0.12 -0.51 4.01 3.53 2q51A1 LYS 80 H -0.02 0.40 -0.37 -0.55 8.42 7.87 2q51A1 LYS 80 HA -0.01 -0.09 0.42 -0.75 4.32 3.88 2q51A1 LYS 80 HB2 -0.02 0.07 0.08 -0.04 1.87 1.96 2q51A1 LYS 80 HB3 -0.01 -0.07 0.05 -0.04 1.79 1.71 2q51A1 LYS 80 HG2 -0.01 -0.09 0.08 -0.04 1.46 1.39 2q51A1 LYS 80 HG3 -0.02 0.21 0.20 -0.04 1.46 1.81 2q51A1 LYS 80 HD2 -0.02 -0.06 0.05 -0.04 1.69 1.62 2q51A1 LYS 80 HD3 -0.02 -0.07 0.06 -0.04 1.68 1.61 2q51A1 LYS 80 HE2 -0.03 -0.11 0.02 -0.04 2.99 2.83 2q51A1 LYS 80 HE3 -0.03 0.11 0.16 -0.04 2.99 3.19 2q51A1 LYS 81 H -0.00 0.02 0.12 -0.55 8.42 8.01 2q51A1 LYS 81 HA -0.00 0.34 0.82 -0.75 4.32 4.72 2q51A1 LYS 81 HB2 0.00 -0.01 0.10 -0.04 1.87 1.93 2q51A1 LYS 81 HB3 0.00 0.07 0.05 -0.04 1.79 1.87 2q51A1 LYS 81 HG2 -0.00 0.02 0.10 -0.04 1.46 1.54 2q51A1 LYS 81 HG3 -0.00 -0.03 0.14 -0.04 1.46 1.53 2q51A1 LYS 81 HD2 0.00 -0.00 0.03 -0.04 1.69 1.67 2q51A1 LYS 81 HD3 0.00 0.01 0.03 -0.04 1.68 1.68 2q51A1 LYS 81 HE2 -0.00 0.00 0.03 -0.04 2.99 2.99 2q51A1 LYS 81 HE3 -0.00 -0.02 0.03 -0.04 2.99 2.96 2q51A1 SER 83 HA 0.00 -0.06 0.32 -0.75 4.49 4.00 2q51A1 SER 83 HB2 0.00 0.22 0.37 -0.04 3.95 4.50 2q51A1 SER 83 HB3 0.00 -0.26 0.29 -0.04 3.93 3.92 2q51A1 GLU 84 H 0.01 0.15 0.13 -0.55 8.60 8.34 2q51A1 GLU 84 HA 0.02 0.07 0.33 -0.75 4.29 3.95 2q51A1 GLU 84 HB2 0.02 0.02 0.11 -0.04 2.09 2.20 2q51A1 GLU 84 HB3 0.01 0.00 0.14 -0.04 1.99 2.10 2q51A1 GLU 84 HG2 0.01 -0.07 0.03 -0.04 2.34 2.27 2q51A1 GLU 84 HG3 0.01 0.06 -0.32 -0.04 2.34 2.05 2q51A1 ASP 85 H 0.01 -0.27 -1.51 -0.55 8.40 6.09 2q51A1 ASP 85 HA 0.02 0.06 0.57 -0.75 4.63 4.53 2q51A1 ASP 85 HB2 0.01 -0.03 0.07 -0.04 2.71 2.72 2q51A1 ASP 85 HB3 0.01 -0.01 -0.03 -0.04 2.70 2.63 2q51A1 LEU 86 H 0.01 0.18 0.13 -0.55 8.37 8.15 2q51A1 LEU 86 HA 0.01 -0.04 0.30 -0.75 4.35 3.86 2q51A1 LEU 86 HB2 -0.00 0.26 0.01 -0.04 1.64 1.87 2q51A1 LEU 86 HB3 -0.01 -0.08 -0.14 -0.04 1.64 1.37 2q51A1 LEU 86 HG -0.00 -0.02 0.08 -0.04 1.64 1.66 2q51A1 LEU 86 HD13 -0.02 0.00 -0.26 -0.04 0.93 0.61 2q51A1 LEU 86 HD23 -0.01 -0.03 0.04 -0.04 0.89 0.84 2q51A1 PRO 87 HA 0.06 0.06 0.51 -0.51 4.44 4.56 2q51A1 PRO 87 HB2 0.01 -0.16 -0.04 -0.04 2.28 2.04 2q51A1 PRO 87 HB3 0.02 0.10 0.07 -0.04 2.02 2.17 2q51A1 PRO 87 HG2 -0.02 -0.01 0.10 -0.04 2.03 2.06 2q51A1 PRO 87 HG3 -0.01 0.08 0.06 -0.04 2.03 2.12 2q51A1 PRO 87 HD2 -0.00 0.11 0.21 -0.04 3.68 3.96 2q51A1 PRO 87 HD3 0.01 0.16 0.10 -0.04 3.65 3.88 2q51A1 TYR 88 H 0.18 0.19 0.19 -0.55 8.29 8.29 2q51A1 TYR 88 HA 0.01 0.18 0.29 -0.75 4.56 4.29 2q51A1 TYR 88 HB2 0.02 0.14 0.13 -0.04 3.06 3.31 2q51A1 TYR 88 HB3 0.03 -0.19 0.11 -0.04 2.98 2.90 2q51A1 TYR 88 HD2 0.03 -0.04 -0.01 -0.04 7.15 7.08 2q51A1 TYR 88 HE2 0.02 -0.02 -0.02 -0.04 6.85 6.79 2q51A1 GLU 89 H 0.11 -0.04 -0.10 -0.55 8.60 8.02 2q51A1 GLU 89 HA -0.27 0.07 0.39 -0.75 4.29 3.72 2q51A1 GLU 89 HB2 0.01 -0.07 0.07 -0.04 2.09 2.05 2q51A1 GLU 89 HB3 -0.01 0.05 -0.01 -0.04 1.99 1.98 2q51A1 GLU 89 HG2 0.13 0.10 0.29 -0.04 2.34 2.82 2q51A1 GLU 89 HG3 0.12 0.05 0.17 -0.04 2.34 2.64 2q51A1 VAL 90 H -0.07 0.40 -0.33 -0.55 8.24 7.68 2q51A1 VAL 90 HA -0.13 0.05 0.40 -0.75 4.13 3.70 2q51A1 VAL 90 HB -0.06 -0.01 0.08 -0.04 2.12 2.09 2q51A1 VAL 90 HG13 -0.06 0.02 -0.13 -0.04 0.97 0.75 2q51A1 VAL 90 HG23 -0.04 -0.02 0.02 -0.04 0.95 0.87 2q51A1 ARG 91 H -0.09 0.26 -0.08 -0.55 8.46 8.00 2q51A1 ARG 91 HA -0.08 0.06 0.32 -0.75 4.34 3.88 2q51A1 ARG 91 HB2 -0.05 0.05 -0.02 -0.04 1.90 1.84 2q51A1 ARG 91 HB3 -0.10 0.09 -0.02 -0.04 1.80 1.73 2q51A1 ARG 91 HG2 -0.13 0.01 -0.33 -0.04 1.67 1.18 2q51A1 ARG 91 HG3 -0.08 -0.06 -0.09 -0.04 1.67 1.40 2q51A1 ARG 91 HD2 -0.02 -0.04 -0.06 -0.04 3.22 3.07 2q51A1 ARG 91 HD3 -0.02 0.01 -0.07 -0.04 3.22 3.11 2q51A1 ARG 92 H -0.23 0.14 -1.13 -0.55 8.46 6.69 2q51A1 ARG 92 HA -0.13 0.01 0.50 -0.75 4.34 3.96 2q51A1 ARG 92 HB2 -0.52 0.11 0.04 -0.04 1.90 1.49 2q51A1 ARG 92 HB3 -0.21 0.17 0.17 -0.04 1.80 1.89 2q51A1 ARG 92 HG2 -0.13 -0.07 0.03 -0.04 1.67 1.46 2q51A1 ARG 92 HG3 -0.06 0.02 0.07 -0.04 1.67 1.66 2q51A1 ARG 92 HD2 -0.32 0.02 -0.01 -0.04 3.22 2.86 2q51A1 ARG 92 HD3 -0.59 -0.15 -0.00 -0.04 3.22 2.44 2q51A1 ALA 93 H -0.23 0.66 0.28 -0.55 8.40 8.55 2q51A1 ALA 93 HA -0.50 -0.04 0.45 -0.75 4.34 3.51 2q51A1 ALA 93 HB3 -0.87 -0.01 0.15 -0.04 1.41 0.64 2q51A1 GLN 94 H -0.16 0.48 -0.24 -0.55 8.47 8.00 2q51A1 GLN 94 HA -0.03 0.04 0.35 -0.75 4.36 3.97 2q51A1 GLN 94 HB2 -0.07 0.07 0.15 -0.04 2.15 2.26 2q51A1 GLN 94 HB3 -0.01 0.03 0.01 -0.04 2.02 2.02 2q51A1 GLN 94 HG2 -0.10 -0.04 -0.10 -0.04 2.40 2.12 2q51A1 GLN 94 HG3 -0.09 -0.12 -0.35 -0.04 2.39 1.78 2q51A1 GLN 94 HE21 -0.01 0.24 0.08 -0.04 6.97 7.24 2q51A1 GLN 94 HE22 -0.00 -0.06 0.06 -0.04 7.69 7.65 2q51A1 GLU 95 H -0.10 0.55 -0.01 -0.55 8.60 8.50 2q51A1 GLU 95 HA -0.53 0.01 0.43 -0.75 4.29 3.44 2q51A1 GLU 95 HB2 -0.16 0.04 0.16 -0.04 2.09 2.09 2q51A1 GLU 95 HB3 -0.07 0.10 0.20 -0.04 1.99 2.18 2q51A1 GLU 95 HG2 -0.09 -0.05 -0.23 -0.04 2.34 1.93 2q51A1 GLU 95 HG3 -0.21 -0.03 0.02 -0.04 2.34 2.08 2q51A1 ILE 96 H 0.05 0.69 -0.18 -0.55 8.25 8.26 2q51A1 ILE 96 HA 0.19 -0.06 0.35 -0.75 4.18 3.90 2q51A1 ILE 96 HB 0.40 0.12 0.14 -0.04 1.89 2.51 2q51A1 ILE 96 HG12 0.31 -0.09 0.05 -0.04 1.49 1.71 2q51A1 ILE 96 HG13 0.15 0.59 0.19 -0.04 1.21 2.10 2q51A1 ILE 96 HG23 0.42 -0.04 -0.08 -0.04 0.93 1.19 2q51A1 ILE 96 HD13 0.23 -0.02 -0.08 -0.04 0.88 0.97 2q51A1 ASN 97 H 0.17 0.50 -0.70 -0.55 8.53 7.95 2q51A1 ASN 97 HA 0.24 -0.07 0.35 -0.75 4.76 4.52 2q51A1 ASN 97 HB2 0.14 0.32 0.26 -0.04 2.88 3.56 2q51A1 ASN 97 HB3 0.17 -0.02 0.01 -0.04 2.79 2.91 2q51A1 ASN 97 HD21 0.19 -0.09 0.02 -0.04 7.03 7.10 2q51A1 ASN 97 HD22 0.28 0.12 -0.03 -0.04 7.74 8.07 2q51A1 HIS 98 H 0.31 0.80 -0.09 -0.55 8.41 8.88 2q51A1 HIS 98 HA -0.01 0.12 0.48 -0.75 4.63 4.47 2q51A1 HIS 98 HB2 -0.05 -0.01 0.08 -0.04 3.26 3.24 2q51A1 HIS 98 HB3 -0.04 -0.05 -0.01 -0.04 3.20 3.05 2q51A1 HIS 98 HD2 -0.02 -0.03 -0.01 -0.04 6.97 6.87 2q51A1 HIS 98 HE1 -0.01 -0.01 -0.12 -0.04 7.75 7.57 2q51A1 LEU 99 H -0.06 0.23 -0.06 -0.55 8.37 7.93 2q51A1 LEU 99 HA -0.30 0.08 0.49 -0.75 4.35 3.87 2q51A1 LEU 99 HB2 -0.72 0.01 0.06 -0.04 1.64 0.95 2q51A1 LEU 99 HB3 -1.33 -0.01 -0.02 -0.04 1.64 0.24 2q51A1 LEU 99 HG -0.17 0.01 -0.02 -0.04 1.64 1.41 2q51A1 LEU 99 HD13 -0.25 -0.01 -0.05 -0.04 0.93 0.58 2q51A1 LEU 99 HD23 -0.21 0.00 -0.04 -0.04 0.89 0.60 2q51A1 PHE 100 H 0.00 0.34 -0.16 -0.55 8.34 7.97 2q51A1 PHE 100 HA 0.10 0.16 0.82 -0.75 4.62 4.95 2q51A1 PHE 100 HB2 -0.02 0.03 -0.11 -0.04 3.15 3.00 2q51A1 PHE 100 HB3 -0.73 -0.08 -0.01 -0.04 3.06 2.20 2q51A1 PHE 100 HD2 -0.88 0.07 -0.09 -0.04 7.28 6.35 2q51A1 PHE 100 HE2 -0.69 -0.00 -0.11 -0.04 7.38 6.53 2q51A1 PHE 100 HZ -1.00 -0.00 -0.13 -0.04 7.32 6.15 2q51A1 GLY 101 H 0.12 0.04 -0.39 -0.55 8.43 7.66 2q51A1 GLY 101 HA2 0.13 0.23 0.64 -0.51 4.01 4.51 2q51A1 GLY 101 HA3 0.15 -0.24 0.22 -0.51 4.01 3.63 2q51A1 PRO 102 HA 0.10 -0.01 0.40 -0.51 4.44 4.42 2q51A1 PRO 102 HB2 0.01 0.03 -0.01 -0.04 2.28 2.27 2q51A1 PRO 102 HB3 0.02 -0.03 0.09 -0.04 2.02 2.07 2q51A1 PRO 102 HG2 -0.06 -0.04 0.06 -0.04 2.03 1.94 2q51A1 PRO 102 HG3 -0.09 0.03 -0.04 -0.04 2.03 1.89 2q51A1 PRO 102 HD2 -0.01 -0.11 0.16 -0.04 3.68 3.68 2q51A1 PRO 102 HD3 -0.04 0.18 0.48 -0.04 3.65 4.23 2q51A1 LYS 103 H 0.10 0.05 0.13 -0.55 8.42 8.15 2q51A1 LYS 103 HA 0.09 0.32 0.60 -0.75 4.32 4.58 2q51A1 LYS 103 HB2 0.16 -0.01 0.04 -0.04 1.87 2.03 2q51A1 LYS 103 HB3 0.11 -0.13 0.05 -0.04 1.79 1.78 2q51A1 LYS 103 HG2 0.09 -0.07 -0.11 -0.04 1.46 1.33 2q51A1 LYS 103 HG3 0.10 0.29 0.16 -0.04 1.46 1.98 2q51A1 LYS 103 HD2 0.18 0.07 -0.18 -0.04 1.69 1.72 2q51A1 LYS 103 HD3 0.12 -0.26 -0.08 -0.04 1.68 1.43 2q51A1 LYS 103 HE2 0.12 -0.06 0.06 -0.04 2.99 3.07 2q51A1 LYS 103 HE3 0.16 0.03 0.04 -0.04 2.99 3.18 2q51A1 ASP 104 H 0.05 0.34 0.16 -0.55 8.40 8.41 2q51A1 ASP 104 HA 0.04 0.07 0.37 -0.75 4.63 4.35 2q51A1 ASP 104 HB2 0.04 0.14 -0.22 -0.04 2.71 2.63 2q51A1 ASP 104 HB3 0.03 -0.04 0.12 -0.04 2.70 2.77 2q51A1 SER 105 H 0.03 0.15 -1.10 -0.55 8.46 7.00 2q51A1 SER 105 HA 0.01 0.03 0.44 -0.75 4.49 4.22 2q51A1 SER 105 HB2 0.01 -0.03 -0.02 -0.04 3.95 3.87 2q51A1 SER 105 HB3 0.02 0.42 -0.11 -0.04 3.93 4.23 2q51A1 GLU 106 H -0.00 -0.04 0.15 -0.55 8.60 8.16 2q51A1 GLU 106 HA -0.01 0.33 0.89 -0.75 4.29 4.74 2q51A1 GLU 106 HB2 -0.01 -0.07 0.06 -0.04 2.09 2.03 2q51A1 GLU 106 HB3 -0.01 0.04 0.02 -0.04 1.99 2.00 2q51A1 GLU 106 HG2 -0.00 -0.02 -0.02 -0.04 2.34 2.26 2q51A1 GLU 106 HG3 0.00 0.15 -0.18 -0.04 2.34 2.26 2q51A1 ASP 107 H -0.01 -0.03 0.11 -0.55 8.40 7.93 2q51A1 ASP 107 HA -0.03 0.09 0.48 -0.75 4.63 4.42 2q51A1 ASP 107 HB2 -0.01 -0.06 0.11 -0.04 2.71 2.71 2q51A1 ASP 107 HB3 -0.02 0.09 -0.01 -0.04 2.70 2.72 2q51A1 SER 108 H 0.01 -0.12 -0.60 -0.55 8.46 7.21 2q51A1 SER 108 HA 0.14 0.05 0.22 -0.75 4.49 4.14 2q51A1 SER 108 HB2 0.12 0.16 0.07 -0.04 3.95 4.26 2q51A1 SER 108 HB3 0.08 -0.15 -0.20 -0.04 3.93 3.62 2q51A1 TYR 109 H 0.55 0.19 0.15 -0.55 8.29 8.62 2q51A1 TYR 109 HA -0.05 -0.02 0.35 -0.75 4.56 4.08 2q51A1 TYR 109 HB2 0.00 0.05 -0.05 -0.04 3.06 3.02 2q51A1 TYR 109 HB3 -0.08 -0.16 -0.13 -0.04 2.98 2.57 2q51A1 TYR 109 HD2 0.03 0.09 -0.07 -0.04 7.15 7.15 2q51A1 TYR 109 HE2 0.03 0.21 -0.21 -0.04 6.85 6.84 2q51A1 ASP 110 H -0.08 0.20 0.28 -0.55 8.40 8.25 2q51A1 ASP 110 HA -0.34 -0.16 0.99 -0.75 4.63 4.36 2q51A1 ASP 110 HB2 -0.23 -0.03 0.08 -0.04 2.71 2.49 2q51A1 ASP 110 HB3 -0.78 0.00 0.15 -0.04 2.70 2.02 2q51A1 ILE 111 H -0.05 0.16 0.20 -0.55 8.25 8.01 2q51A1 ILE 111 HA -0.20 0.33 0.85 -0.75 4.18 4.41 2q51A1 ILE 111 HB -0.06 -0.02 0.18 -0.04 1.89 1.94 2q51A1 ILE 111 HG12 0.01 0.24 0.05 -0.04 1.49 1.76 2q51A1 ILE 111 HG13 0.03 -0.11 -0.32 -0.04 1.21 0.77 2q51A1 ILE 111 HG23 -0.32 -0.00 -0.11 -0.04 0.93 0.46 2q51A1 ILE 111 HD13 0.04 -0.00 -0.05 -0.04 0.88 0.82 2q51A1 ILE 112 H -0.30 0.29 0.07 -0.55 8.25 7.77 2q51A1 ILE 112 HA -0.32 0.07 1.01 -0.75 4.18 4.19 2q51A1 ILE 112 HB -0.41 0.02 0.00 -0.04 1.89 1.46 2q51A1 ILE 112 HG12 -0.86 -0.01 -0.03 -0.04 1.49 0.55 2q51A1 ILE 112 HG13 -0.25 -0.03 -0.24 -0.04 1.21 0.65 2q51A1 ILE 112 HG23 -1.15 -0.05 -0.33 -0.04 0.93 -0.64 2q51A1 ILE 112 HD13 -0.50 0.01 -0.16 -0.04 0.88 0.19 2q51A1 PHE 113 H -0.16 0.35 0.17 -0.55 8.34 8.15 2q51A1 PHE 113 HA -0.03 0.27 1.01 -0.75 4.62 5.11 2q51A1 PHE 113 HB2 0.01 -0.01 0.29 -0.04 3.15 3.40 2q51A1 PHE 113 HB3 0.05 -0.03 0.08 -0.04 3.06 3.11 2q51A1 PHE 113 HD2 0.05 0.05 -0.03 -0.04 7.28 7.30 2q51A1 PHE 113 HE2 0.08 -0.01 -0.12 -0.04 7.38 7.29 2q51A1 PHE 113 HZ 0.07 0.00 -0.12 -0.04 7.32 7.23 2q51A1 ASP 114 H 0.17 0.40 0.20 -0.55 8.40 8.61 2q51A1 ASP 114 HA 0.17 0.11 0.75 -0.75 4.63 4.90 2q51A1 ASP 114 HB2 0.07 -0.02 0.09 -0.04 2.71 2.81 2q51A1 ASP 114 HB3 0.21 0.01 0.27 -0.04 2.70 3.15 2q51A1 LEU 115 H 0.13 0.55 0.11 -0.55 8.37 8.62 2q51A1 LEU 115 HA 0.14 0.12 0.58 -0.75 4.35 4.43 2q51A1 LEU 115 HB2 0.04 0.08 0.27 -0.04 1.64 2.00 2q51A1 LEU 115 HB3 0.05 -0.02 0.13 -0.04 1.64 1.76 2q51A1 LEU 115 HG 0.13 -0.03 0.02 -0.04 1.64 1.73 2q51A1 LEU 115 HD13 0.13 0.01 -0.02 -0.04 0.93 1.00 2q51A1 LEU 115 HD23 0.04 -0.00 -0.00 -0.04 0.89 0.89 2q51A1 HIS 116 H 0.19 0.62 0.44 -0.55 8.41 9.12 2q51A1 HIS 116 HA 0.09 0.04 0.79 -0.75 4.63 4.80 2q51A1 HIS 116 HB2 0.13 0.13 0.08 -0.04 3.26 3.57 2q51A1 HIS 116 HB3 0.17 -0.12 0.16 -0.04 3.20 3.37 2q51A1 HIS 116 HD2 0.08 0.68 -0.06 -0.04 6.97 7.63 2q51A1 HIS 116 HE1 -1.08 -0.12 -0.05 -0.04 7.75 6.45 2q51A1 ASN 117 H 0.25 0.25 0.25 -0.55 8.53 8.73 2q51A1 ASN 117 HA 0.11 0.13 0.73 -0.75 4.76 4.98 2q51A1 ASN 117 HB2 0.07 -0.24 -0.11 -0.04 2.88 2.55 2q51A1 ASN 117 HB3 0.05 0.13 0.07 -0.04 2.79 3.01 2q51A1 ASN 117 HD21 0.01 0.13 -0.09 -0.04 7.03 7.04 2q51A1 ASN 117 HD22 0.01 -0.44 -0.02 -0.04 7.74 7.24 2q51A1 THR 118 H 0.08 0.52 0.12 -0.55 8.28 8.45 2q51A1 THR 118 HA 0.08 0.14 1.00 -0.75 4.39 4.85 2q51A1 THR 118 HB 0.20 0.03 -0.13 -0.04 4.32 4.38 2q51A1 THR 118 HG23 0.03 0.05 -0.22 -0.04 1.22 1.05 2q51A1 THR 119 H 0.06 -0.02 0.21 -0.55 8.28 7.98 2q51A1 THR 119 HA 0.01 0.14 0.83 -0.75 4.39 4.62 2q51A1 THR 119 HB 0.00 0.12 0.13 -0.04 4.32 4.54 2q51A1 THR 119 HG23 -0.02 -0.00 0.01 -0.04 1.22 1.16 2q51A1 SER 120 H 0.07 -0.21 0.02 -0.55 8.46 7.79 2q51A1 SER 120 HA -0.01 0.35 0.37 -0.75 4.49 4.45 2q51A1 SER 120 HB2 -0.12 -0.07 -0.05 -0.04 3.95 3.67 2q51A1 SER 120 HB3 0.06 0.01 -0.50 -0.04 3.93 3.46 2q51A1 ASN 121 H -0.09 0.12 0.12 -0.55 8.53 8.14 2q51A1 ASN 121 HA -0.03 0.26 0.41 -0.75 4.76 4.65 2q51A1 ASN 121 HB2 -0.04 0.01 0.10 -0.04 2.88 2.91 2q51A1 ASN 121 HB3 -0.08 -0.18 0.12 -0.04 2.79 2.61 2q51A1 ASN 121 HD21 -0.00 0.03 -0.02 -0.04 7.03 7.01 2q51A1 ASN 121 HD22 -0.03 0.08 0.03 -0.04 7.74 7.78 2q51A1 GLY 123 HA2 0.08 0.06 0.29 -0.51 4.01 3.93 2q51A1 GLY 123 HA3 0.15 0.02 0.25 -0.51 4.01 3.93 2q51A1 CYS 124 H 0.07 0.26 0.16 -0.55 8.50 8.43 2q51A1 CYS 124 HA 0.04 0.00 0.42 -0.75 4.58 4.29 2q51A1 CYS 124 HB2 -0.08 -0.09 0.48 -0.04 2.97 3.24 2q51A1 CYS 124 HB3 -0.05 -0.08 0.07 -0.04 2.97 2.87 2q51A1 THR 125 H 0.07 0.33 0.33 -0.55 8.28 8.45 2q51A1 THR 125 HA 0.03 0.26 1.05 -0.75 4.39 4.98 2q51A1 THR 125 HB 0.16 -0.11 0.12 -0.04 4.32 4.44 2q51A1 THR 125 HG23 0.30 -0.05 -0.27 -0.04 1.22 1.16 2q51A1 LEU 126 H -0.10 0.87 0.43 -0.55 8.37 9.03 2q51A1 LEU 126 HA -0.08 0.29 0.96 -0.75 4.35 4.77 2q51A1 LEU 126 HB2 -0.43 -0.01 0.13 -0.04 1.64 1.29 2q51A1 LEU 126 HB3 -0.91 0.02 0.04 -0.04 1.64 0.75 2q51A1 LEU 126 HG -0.09 -0.06 -0.13 -0.04 1.64 1.32 2q51A1 LEU 126 HD13 0.03 0.01 -0.07 -0.04 0.93 0.86 2q51A1 LEU 126 HD23 0.09 0.02 -0.04 -0.04 0.89 0.92 2q51A1 ILE 127 H -0.04 0.52 0.34 -0.55 8.25 8.52 2q51A1 ILE 127 HA 0.06 0.26 1.20 -0.75 4.18 4.94 2q51A1 ILE 127 HB 0.13 -0.17 0.16 -0.04 1.89 1.97 2q51A1 ILE 127 HG12 0.32 0.03 -0.20 -0.04 1.49 1.60 2q51A1 ILE 127 HG13 0.15 0.10 -0.40 -0.04 1.21 1.01 2q51A1 ILE 127 HG23 0.22 0.00 -0.19 -0.04 0.93 0.92 2q51A1 ILE 127 HD13 0.20 -0.04 -0.16 -0.04 0.88 0.84 2q51A1 LEU 128 H -0.01 0.85 0.33 -0.55 8.37 9.00 2q51A1 LEU 128 HA 0.44 0.14 0.79 -0.75 4.35 4.97 2q51A1 LEU 128 HB2 0.20 0.02 -0.10 -0.04 1.64 1.72 2q51A1 LEU 128 HB3 0.08 -0.05 -0.03 -0.04 1.64 1.60 2q51A1 LEU 128 HG 0.11 0.07 -0.39 -0.04 1.64 1.39 2q51A1 LEU 128 HD13 0.27 -0.02 -0.04 -0.04 0.93 1.10 2q51A1 LEU 128 HD23 0.16 -0.00 -0.15 -0.04 0.89 0.85 2q51A1 GLU 129 H 0.07 0.20 0.08 -0.55 8.60 8.40 2q51A1 GLU 129 HA -0.14 0.05 0.68 -0.75 4.29 4.13 2q51A1 GLU 129 HB2 -0.11 0.07 0.09 -0.04 2.09 2.10 2q51A1 GLU 129 HB3 -0.40 -0.01 0.12 -0.04 1.99 1.67 2q51A1 GLU 129 HG2 -1.10 -0.01 -0.02 -0.04 2.34 1.17 2q51A1 GLU 129 HG3 -0.12 -0.05 -0.06 -0.04 2.34 2.07 2q51A1 ASP 130 H -0.13 0.15 0.07 -0.55 8.40 7.94 2q51A1 ASP 130 HA 0.02 0.10 0.62 -0.75 4.63 4.61 2q51A1 ASP 130 HB2 0.02 0.03 0.04 -0.04 2.71 2.76 2q51A1 ASP 130 HB3 -0.03 0.05 0.05 -0.04 2.70 2.73 2q51A1 SER 131 H 0.04 0.10 0.02 -0.55 8.46 8.08 2q51A1 SER 131 HA 0.03 0.16 0.39 -0.75 4.49 4.32 2q51A1 SER 131 HB2 0.02 0.04 -0.03 -0.04 3.95 3.94 2q51A1 SER 131 HB3 0.03 -0.05 0.07 -0.04 3.93 3.94 2q51A1 ARG 132 H 0.03 0.05 -0.08 -0.55 8.46 7.91 2q51A1 ARG 132 HA 0.02 0.10 0.46 -0.75 4.34 4.16 2q51A1 ARG 132 HB2 0.03 -0.01 0.17 -0.04 1.90 2.05 2q51A1 ARG 132 HB3 0.03 0.02 0.11 -0.04 1.80 1.92 2q51A1 ARG 132 HG2 0.02 0.04 0.04 -0.04 1.67 1.73 2q51A1 ARG 132 HG3 0.03 -0.04 0.03 -0.04 1.67 1.64 2q51A1 ARG 132 HD2 0.04 -0.01 0.04 -0.04 3.22 3.25 2q51A1 ARG 132 HD3 0.03 0.02 0.04 -0.04 3.22 3.27 2q51A1 ASN 133 H 0.01 0.48 -0.01 -0.55 8.53 8.47 2q51A1 ASN 133 HA 0.00 0.15 0.58 -0.75 4.76 4.74 2q51A1 ASN 133 HB2 0.00 0.18 -0.20 -0.04 2.88 2.83 2q51A1 ASN 133 HB3 -0.06 -0.13 0.11 -0.04 2.79 2.67 2q51A1 ASN 133 HD21 -0.02 -0.19 -0.02 -0.04 7.03 6.76 2q51A1 ASN 133 HD22 0.01 0.81 -0.27 -0.04 7.74 8.25 2q51A1 ASN 134 H 0.01 0.16 -0.08 -0.55 8.53 8.07 2q51A1 ASN 134 HA 0.02 -0.01 0.38 -0.75 4.76 4.40 2q51A1 ASN 134 HB2 0.02 -0.04 0.10 -0.04 2.88 2.92 2q51A1 ASN 134 HB3 0.06 0.15 0.03 -0.04 2.79 2.99 2q51A1 ASN 134 HD21 0.02 0.01 -0.02 -0.04 7.03 7.00 2q51A1 ASN 134 HD22 0.02 0.01 0.01 -0.04 7.74 7.73 2q51A1 PHE 135 H 0.07 0.09 -0.18 -0.55 8.34 7.77 2q51A1 PHE 135 HA -0.10 0.03 0.28 -0.75 4.62 4.07 2q51A1 PHE 135 HB2 -0.31 0.01 0.09 -0.04 3.15 2.90 2q51A1 PHE 135 HB3 -0.40 -0.09 0.12 -0.04 3.06 2.65 2q51A1 PHE 135 HD2 -0.42 -0.02 -0.02 -0.04 7.28 6.78 2q51A1 PHE 135 HE2 -0.46 0.00 -0.08 -0.04 7.38 6.80 2q51A1 PHE 135 HZ -1.69 -0.00 -0.07 -0.04 7.32 5.51 2q51A1 LEU 136 H -0.13 0.04 -0.04 -0.55 8.37 7.70 2q51A1 LEU 136 HA -0.55 0.01 0.28 -0.75 4.35 3.33 2q51A1 LEU 136 HB2 -0.19 0.02 0.09 -0.04 1.64 1.52 2q51A1 LEU 136 HB3 -0.63 -0.02 0.01 -0.04 1.64 0.97 2q51A1 LEU 136 HG -0.15 -0.09 0.08 -0.04 1.64 1.43 2q51A1 LEU 136 HD13 -0.05 -0.03 0.05 -0.04 0.93 0.86 2q51A1 LEU 136 HD23 -0.35 0.02 -0.04 -0.04 0.89 0.48 2q51A1 ILE 137 H -0.10 0.56 -0.59 -0.55 8.25 7.56 2q51A1 ILE 137 HA 0.01 -0.01 0.40 -0.75 4.18 3.82 2q51A1 ILE 137 HB -0.01 0.12 0.04 -0.04 1.89 1.99 2q51A1 ILE 137 HG12 0.09 -0.04 -0.09 -0.04 1.49 1.41 2q51A1 ILE 137 HG13 0.03 0.02 -0.15 -0.04 1.21 1.07 2q51A1 ILE 137 HG23 -0.02 -0.04 -0.28 -0.04 0.93 0.55 2q51A1 ILE 137 HD13 0.01 -0.03 -0.21 -0.04 0.88 0.62 2q51A1 GLN 138 H -0.08 0.66 0.25 -0.55 8.47 8.75 2q51A1 GLN 138 HA -0.10 -0.05 0.23 -0.75 4.36 3.69 2q51A1 GLN 138 HB2 0.02 0.02 0.09 -0.04 2.15 2.24 2q51A1 GLN 138 HB3 -0.18 0.01 0.09 -0.04 2.02 1.90 2q51A1 GLN 138 HG2 -0.37 0.00 -0.01 -0.04 2.40 1.98 2q51A1 GLN 138 HG3 -0.38 -0.01 0.00 -0.04 2.39 1.96 2q51A1 GLN 138 HE21 -0.94 -0.03 0.00 -0.04 6.97 5.96 2q51A1 GLN 138 HE22 -0.56 0.03 -0.00 -0.04 7.69 7.12 2q51A1 PHE 140 HA -0.07 -0.13 0.25 -0.75 4.62 3.92 2q51A1 PHE 140 HB2 -0.04 0.07 0.04 -0.04 3.15 3.19 2q51A1 PHE 140 HB3 -0.02 -0.11 -0.03 -0.04 3.06 2.86 2q51A1 PHE 140 HD2 -0.00 -0.04 -0.07 -0.04 7.28 7.13 2q51A1 PHE 140 HE2 0.06 -0.08 -0.05 -0.04 7.38 7.27 2q51A1 PHE 140 HZ 0.06 -0.01 0.10 -0.04 7.32 7.43 2q51A1 HIS 141 H 0.00 0.61 -3.21 -0.55 8.41 5.27 2q51A1 HIS 141 HA -0.04 -0.02 0.74 -0.75 4.63 4.56 2q51A1 HIS 141 HB2 -0.06 -0.13 0.03 -0.04 3.26 3.06 2q51A1 HIS 141 HB3 -0.15 0.17 0.23 -0.04 3.20 3.40 2q51A1 HIS 141 HD2 -0.13 0.05 -0.04 -0.04 6.97 6.80 2q51A1 HIS 141 HE1 -0.03 -0.03 0.01 -0.04 7.75 7.66 2q51A1 TYR 142 H -0.23 0.57 0.78 -0.55 8.29 8.86 2q51A1 TYR 142 HA -0.45 0.04 0.56 -0.75 4.56 3.95 2q51A1 TYR 142 HB2 -0.69 0.04 0.11 -0.04 3.06 2.47 2q51A1 TYR 142 HB3 -0.89 0.02 -0.04 -0.04 2.98 2.03 2q51A1 TYR 142 HD2 -0.68 -0.00 0.03 -0.04 7.15 6.46 2q51A1 TYR 142 HE2 0.15 -0.06 0.03 -0.04 6.85 6.93 2q51A1 ILE 143 H -0.14 0.13 -0.54 -0.55 8.25 7.15 2q51A1 ILE 143 HA -0.27 0.18 0.56 -0.75 4.18 3.89 2q51A1 ILE 143 HB -0.01 0.04 -0.03 -0.04 1.89 1.85 2q51A1 ILE 143 HG12 -0.11 0.03 -0.17 -0.04 1.49 1.19 2q51A1 ILE 143 HG13 -0.09 -0.01 -0.21 -0.04 1.21 0.86 2q51A1 ILE 143 HG23 -0.07 0.01 -0.27 -0.04 0.93 0.56 2q51A1 ILE 143 HD13 0.17 0.00 -0.09 -0.04 0.88 0.92 2q51A1 LYS 144 H -0.09 0.28 -0.14 -0.55 8.42 7.92 2q51A1 LYS 144 HA -0.14 0.04 0.28 -0.75 4.32 3.74 2q51A1 LYS 144 HB2 -0.06 0.04 0.11 -0.04 1.87 1.92 2q51A1 LYS 144 HB3 -0.12 -0.00 0.03 -0.04 1.79 1.65 2q51A1 LYS 144 HG2 -0.12 -0.09 -0.06 -0.04 1.46 1.15 2q51A1 LYS 144 HG3 -0.03 0.54 0.22 -0.04 1.46 2.16 2q51A1 LYS 144 HD2 -0.05 -0.05 -0.03 -0.04 1.69 1.51 2q51A1 LYS 144 HD3 -0.02 -0.05 0.04 -0.04 1.68 1.61 2q51A1 LYS 144 HE2 -0.24 0.12 -0.06 -0.04 2.99 2.77 2q51A1 LYS 144 HE3 -0.13 -0.06 0.04 -0.04 2.99 2.80 2q51A1 THR 145 H -0.16 0.30 -0.32 -0.55 8.28 7.56 2q51A1 THR 145 HA -0.09 0.01 0.34 -0.75 4.39 3.91 2q51A1 THR 145 HB -0.14 -0.00 0.08 -0.04 4.32 4.21 2q51A1 THR 145 HG23 -0.03 -0.01 -0.17 -0.04 1.22 0.97 2q51A1 SER 146 H -0.24 0.23 -0.33 -0.55 8.46 7.57 2q51A1 SER 146 HA -0.11 -0.05 0.30 -0.75 4.49 3.89 2q51A1 SER 146 HB2 -0.44 -0.07 0.17 -0.04 3.95 3.57 2q51A1 SER 146 HB3 -0.35 0.07 0.15 -0.04 3.93 3.76 2q51A1 LEU 147 H -0.12 0.22 -1.14 -0.55 8.37 6.78 2q51A1 LEU 147 HA -0.07 0.10 0.89 -0.75 4.35 4.52 2q51A1 LEU 147 HB2 -0.12 0.13 0.09 -0.04 1.64 1.69 2q51A1 LEU 147 HB3 -0.11 0.20 -0.12 -0.04 1.64 1.56 2q51A1 LEU 147 HG -0.10 -0.01 -0.19 -0.04 1.64 1.30 2q51A1 LEU 147 HD13 -0.11 -0.03 -0.19 -0.04 0.93 0.55 2q51A1 LEU 147 HD23 -0.07 -0.01 0.02 -0.04 0.89 0.78 2q51A1 ALA 148 H -0.08 0.23 0.10 -0.55 8.40 8.11 2q51A1 ALA 148 HA -0.07 -0.02 0.10 -0.75 4.34 3.60 2q51A1 ALA 148 HB3 -0.05 -0.02 0.05 -0.04 1.41 1.35 2q51A1 PRO 149 HA -0.04 0.02 0.33 -0.51 4.44 4.24 2q51A1 PRO 149 HB2 -0.02 -0.00 0.06 -0.04 2.28 2.28 2q51A1 PRO 149 HB3 -0.02 -0.02 0.11 -0.04 2.02 2.05 2q51A1 PRO 149 HG2 -0.02 0.04 0.08 -0.04 2.03 2.09 2q51A1 PRO 149 HG3 -0.01 -0.04 0.09 -0.04 2.03 2.03 2q51A1 PRO 149 HD2 -0.02 0.16 0.37 -0.04 3.68 4.16 2q51A1 PRO 149 HD3 -0.02 0.01 0.20 -0.04 3.65 3.81 2q51A1 LEU 150 H -0.04 0.33 0.05 -0.55 8.37 8.17 2q51A1 LEU 150 HA -0.03 -0.00 0.43 -0.75 4.35 3.98 2q51A1 LEU 150 HB2 -0.03 -0.08 0.14 -0.04 1.64 1.63 2q51A1 LEU 150 HB3 -0.05 0.13 0.11 -0.04 1.64 1.79 2q51A1 LEU 150 HG -0.03 0.08 0.01 -0.04 1.64 1.66 2q51A1 LEU 150 HD13 -0.01 -0.04 0.04 -0.04 0.93 0.88 2q51A1 LEU 150 HD23 -0.03 0.00 0.05 -0.04 0.89 0.87 2q51A1 PRO 151 HA -0.24 0.02 0.44 -0.51 4.44 4.15 2q51A1 PRO 151 HB2 -0.00 -0.02 0.04 -0.04 2.28 2.26 2q51A1 PRO 151 HB3 -0.18 0.02 0.09 -0.04 2.02 1.91 2q51A1 PRO 151 HG2 0.02 -0.01 0.12 -0.04 2.03 2.11 2q51A1 PRO 151 HG3 -0.05 0.09 0.16 -0.04 2.03 2.19 2q51A1 PRO 151 HD2 -0.02 0.05 0.24 -0.04 3.68 3.91 2q51A1 PRO 151 HD3 -0.03 0.14 0.35 -0.04 3.65 4.07 2q51A1 CYS 152 H -0.53 0.24 0.23 -0.55 8.50 7.89 2q51A1 CYS 152 HA -0.23 0.14 0.80 -0.75 4.58 4.53 2q51A1 CYS 152 HB2 -0.17 0.13 -0.15 -0.04 2.97 2.73 2q51A1 CYS 152 HB3 -0.25 -0.05 0.02 -0.04 2.97 2.65 2q51A1 TYR 153 H -0.22 0.49 0.16 -0.55 8.29 8.16 2q51A1 TYR 153 HA -0.45 0.18 1.03 -0.75 4.56 4.57 2q51A1 TYR 153 HB2 -1.77 0.02 0.02 -0.04 3.06 1.29 2q51A1 TYR 153 HB3 -2.28 -0.05 -0.01 -0.04 2.98 0.60 2q51A1 TYR 153 HD2 -0.73 0.18 -0.11 -0.04 7.15 6.45 2q51A1 TYR 153 HE2 -0.21 0.01 -0.11 -0.04 6.85 6.50 2q51A1 VAL 154 H -0.03 0.21 0.18 -0.55 8.24 8.05 2q51A1 VAL 154 HA -0.09 0.34 1.19 -0.75 4.13 4.81 2q51A1 VAL 154 HB 0.01 -0.03 0.07 -0.04 2.12 2.13 2q51A1 VAL 154 HG13 -0.08 -0.01 -0.23 -0.04 0.97 0.61 2q51A1 VAL 154 HG23 -0.13 0.01 -0.14 -0.04 0.95 0.65 2q51A1 TYR 155 H 0.19 0.73 0.38 -0.55 8.29 9.04 2q51A1 TYR 155 HA 0.33 0.25 0.90 -0.75 4.56 5.28 2q51A1 TYR 155 HB2 0.41 0.01 -0.05 -0.04 3.06 3.40 2q51A1 TYR 155 HB3 0.17 -0.05 0.10 -0.04 2.98 3.16 2q51A1 TYR 155 HD2 0.20 0.04 -0.08 -0.04 7.15 7.27 2q51A1 TYR 155 HE2 0.10 -0.03 -0.15 -0.04 6.85 6.73 2q51A1 LEU 156 H -0.18 0.46 0.27 -0.55 8.37 8.37 2q51A1 LEU 156 HA -0.10 0.39 1.12 -0.75 4.35 5.01 2q51A1 LEU 156 HB2 -0.00 0.04 -0.19 -0.04 1.64 1.45 2q51A1 LEU 156 HB3 -0.05 -0.02 -0.03 -0.04 1.64 1.51 2q51A1 LEU 156 HG -0.05 -0.15 -0.37 -0.04 1.64 1.03 2q51A1 LEU 156 HD13 0.00 0.03 -0.42 -0.04 0.93 0.50 2q51A1 LEU 156 HD23 0.00 -0.00 -0.16 -0.04 0.89 0.69 2q51A1 ILE 157 H -0.10 0.68 0.19 -0.55 8.25 8.48 2q51A1 ILE 157 HA -0.19 0.09 0.82 -0.75 4.18 4.14 2q51A1 ILE 157 HB -0.02 0.07 0.28 -0.04 1.89 2.18 2q51A1 ILE 157 HG12 -0.04 -0.03 -0.10 -0.04 1.49 1.28 2q51A1 ILE 157 HG13 -0.11 0.05 -0.20 -0.04 1.21 0.91 2q51A1 ILE 157 HG23 -0.31 -0.04 -0.00 -0.04 0.93 0.53 2q51A1 ILE 157 HD13 0.11 -0.02 -0.07 -0.04 0.88 0.86 2q51A1 GLU 158 H -0.06 0.23 -0.14 -0.55 8.60 8.09 2q51A1 GLU 158 HA 0.09 0.18 0.51 -0.75 4.29 4.31 2q51A1 GLU 158 HB2 0.01 0.04 0.11 -0.04 2.09 2.21 2q51A1 GLU 158 HB3 0.05 -0.01 0.06 -0.04 1.99 2.05 2q51A1 GLU 158 HG2 0.03 0.05 -0.16 -0.04 2.34 2.21 2q51A1 GLU 158 HG3 0.01 0.05 -0.07 -0.04 2.34 2.28 2q51A1 HIS 159 H 0.26 0.45 0.19 -0.55 8.41 8.77 2q51A1 HIS 159 HA -0.01 0.10 0.42 -0.75 4.63 4.39 2q51A1 HIS 159 HB2 -0.26 0.08 0.16 -0.04 3.26 3.21 2q51A1 HIS 159 HB3 -0.23 -0.37 0.10 -0.04 3.20 2.66 2q51A1 HIS 159 HD2 -0.05 0.04 -0.04 -0.04 6.97 6.87 2q51A1 HIS 159 HE1 -0.07 -0.08 0.03 -0.04 7.75 7.58 2q51A1 PRO 160 HA 0.06 0.07 0.34 -0.51 4.44 4.40 2q51A1 PRO 160 HB2 0.03 0.03 0.02 -0.04 2.28 2.31 2q51A1 PRO 160 HB3 0.04 0.06 0.14 -0.04 2.02 2.21 2q51A1 PRO 160 HG2 0.02 -0.10 0.12 -0.04 2.03 2.02 2q51A1 PRO 160 HG3 0.03 0.08 0.11 -0.04 2.03 2.21 2q51A1 PRO 160 HD2 0.11 -0.03 0.26 -0.04 3.68 3.98 2q51A1 PRO 160 HD3 0.07 0.37 0.35 -0.04 3.65 4.40 2q51A1 SER 161 H 0.01 0.09 -0.18 -0.55 8.46 7.83 2q51A1 SER 161 HA -0.04 0.03 0.28 -0.75 4.49 4.01 2q51A1 SER 161 HB2 -0.23 -0.11 0.02 -0.04 3.95 3.58 2q51A1 SER 161 HB3 -0.14 0.03 0.02 -0.04 3.93 3.81 2q51A1 LEU 162 H -0.04 -0.10 -0.39 -0.55 8.37 7.29 2q51A1 LEU 162 HA 0.11 0.10 0.27 -0.75 4.35 4.06 2q51A1 LEU 162 HB2 0.02 0.36 0.75 -0.04 1.64 2.73 2q51A1 LEU 162 HB3 0.07 -0.12 0.34 -0.04 1.64 1.90 2q51A1 LEU 162 HG 0.05 0.41 -0.04 -0.04 1.64 2.02 2q51A1 LEU 162 HD13 0.05 -0.05 0.08 -0.04 0.93 0.97 2q51A1 LEU 162 HD23 0.11 0.02 0.03 -0.04 0.89 1.01 2q51A1 LYS 163 H -0.42 0.04 0.03 -0.55 8.42 7.52 2q51A1 LYS 163 HA 0.03 0.14 0.58 -0.75 4.32 4.31 2q51A1 LYS 163 HB2 -0.14 -0.07 -0.21 -0.04 1.87 1.41 2q51A1 LYS 163 HB3 -0.08 -0.04 -0.12 -0.04 1.79 1.51 2q51A1 LYS 163 HG2 0.04 0.00 0.14 -0.04 1.46 1.60 2q51A1 LYS 163 HG3 -0.00 0.29 -0.09 -0.04 1.46 1.62 2q51A1 LYS 163 HD2 -0.03 -0.03 -0.09 -0.04 1.69 1.49 2q51A1 LYS 163 HD3 -0.01 -0.09 -0.05 -0.04 1.68 1.49 2q51A1 LYS 163 HE2 0.02 0.01 0.02 -0.04 2.99 3.00 2q51A1 LYS 163 HE3 0.01 0.07 -0.00 -0.04 2.99 3.03 2q51A1 TYR 164 H 0.31 0.25 0.14 -0.55 8.29 8.44 2q51A1 TYR 164 HA 0.14 0.19 1.08 -0.75 4.56 5.21 2q51A1 TYR 164 HB2 0.11 0.12 0.08 -0.04 3.06 3.33 2q51A1 TYR 164 HB3 0.14 -0.14 0.10 -0.04 2.98 3.04 2q51A1 TYR 164 HD2 0.12 0.01 -0.02 -0.04 7.15 7.21 2q51A1 TYR 164 HE2 -0.05 0.15 -0.04 -0.04 6.85 6.87 2q51A1 ALA 165 H 0.20 0.08 0.13 -0.55 8.40 8.27 2q51A1 ALA 165 HA 0.17 0.44 0.54 -0.75 4.34 4.74 2q51A1 ALA 165 HB3 0.10 -0.01 -0.22 -0.04 1.41 1.23 2q51A1 THR 166 H 0.23 -0.01 0.01 -0.55 8.28 7.97 2q51A1 THR 166 HA 0.18 0.44 0.47 -0.75 4.39 4.72 2q51A1 THR 166 HB 0.08 -0.18 -0.07 -0.04 4.32 4.11 2q51A1 THR 166 HG23 0.13 0.01 0.08 -0.04 1.22 1.41 2q51A1 THR 167 H 0.04 0.11 0.17 -0.55 8.28 8.05 2q51A1 THR 167 HA -1.78 0.17 0.34 -0.75 4.39 2.36 2q51A1 THR 167 HB -0.06 -0.07 0.07 -0.04 4.32 4.23 2q51A1 THR 167 HG23 -0.40 0.01 -0.11 -0.04 1.22 0.69 2q51A1 ARG 168 H -0.02 0.04 -0.12 -0.55 8.46 7.80 2q51A1 ARG 168 HA -0.18 0.11 0.25 -0.75 4.34 3.77 2q51A1 ARG 168 HB2 -0.06 0.05 0.03 -0.04 1.90 1.88 2q51A1 ARG 168 HB3 -0.01 -0.05 0.02 -0.04 1.80 1.73 2q51A1 ARG 168 HG2 0.06 -0.09 -0.04 -0.04 1.67 1.56 2q51A1 ARG 168 HG3 0.03 0.08 -0.26 -0.04 1.67 1.48 2q51A1 ARG 168 HD2 0.06 -0.09 -0.22 -0.04 3.22 2.92 2q51A1 ARG 168 HD3 0.11 0.04 -0.33 -0.04 3.22 2.99 2q51A1 SER 169 H 0.01 0.18 -0.85 -0.55 8.46 7.25 2q51A1 SER 169 HA 0.03 0.13 0.31 -0.75 4.49 4.20 2q51A1 SER 169 HB2 0.14 -0.02 0.04 -0.04 3.95 4.06 2q51A1 SER 169 HB3 0.13 -0.28 -0.06 -0.04 3.93 3.68 2q51A1 ILE 170 H -0.01 0.12 -0.76 -0.55 8.25 7.05 2q51A1 ILE 170 HA 0.11 0.00 0.62 -0.75 4.18 4.16 2q51A1 ILE 170 HB 0.06 -0.01 -0.15 -0.04 1.89 1.74 2q51A1 ILE 170 HG12 0.34 -0.09 -0.12 -0.04 1.49 1.58 2q51A1 ILE 170 HG13 0.12 0.17 -0.07 -0.04 1.21 1.39 2q51A1 ILE 170 HG23 0.16 -0.01 -0.33 -0.04 0.93 0.72 2q51A1 ILE 170 HD13 0.43 -0.03 -0.20 -0.04 0.88 1.04 2q51A1 ALA 171 H -0.05 0.21 -0.15 -0.55 8.40 7.87 2q51A1 ALA 171 HA -0.03 0.50 0.32 -0.75 4.34 4.38 2q51A1 ALA 171 HB3 -0.12 -0.05 -0.34 -0.04 1.41 0.85 2q51A1 LYS 172 H -0.20 0.42 0.42 -0.55 8.42 8.51 2q51A1 LYS 172 HA -0.10 0.03 0.42 -0.75 4.32 3.92 2q51A1 LYS 172 HB2 -0.84 -0.13 0.33 -0.04 1.87 1.19 2q51A1 LYS 172 HB3 -0.94 -0.04 0.03 -0.04 1.79 0.80 2q51A1 LYS 172 HG2 -0.20 0.18 0.10 -0.04 1.46 1.49 2q51A1 LYS 172 HG3 -0.29 -0.00 0.06 -0.04 1.46 1.19 2q51A1 LYS 172 HD2 -0.03 0.00 0.05 -0.04 1.69 1.67 2q51A1 LYS 172 HD3 0.00 -0.08 0.06 -0.04 1.68 1.62 2q51A1 LYS 172 HE2 0.00 -0.09 0.04 -0.04 2.99 2.91 2q51A1 LYS 172 HE3 -0.04 -0.01 0.07 -0.04 2.99 2.97 2q51A1 TYR 173 H -0.40 0.39 0.01 -0.55 8.29 7.75 2q51A1 TYR 173 HA -0.04 0.14 0.90 -0.75 4.56 4.81 2q51A1 TYR 173 HB2 -0.07 0.05 0.29 -0.04 3.06 3.29 2q51A1 TYR 173 HB3 -0.04 -0.10 0.11 -0.04 2.98 2.90 2q51A1 TYR 173 HD2 0.02 0.06 -0.20 -0.04 7.15 7.00 2q51A1 TYR 173 HE2 -0.01 0.00 -0.06 -0.04 6.85 6.75 2q51A1 PRO 174 HA -0.08 0.05 0.47 -0.51 4.44 4.37 2q51A1 PRO 174 HB2 0.00 -0.11 -0.06 -0.04 2.28 2.08 2q51A1 PRO 174 HB3 -0.01 -0.14 -0.18 -0.04 2.02 1.65 2q51A1 PRO 174 HG2 -0.02 -0.09 -0.04 -0.04 2.03 1.85 2q51A1 PRO 174 HG3 -0.03 0.19 -0.05 -0.04 2.03 2.10 2q51A1 PRO 174 HD2 0.01 -0.03 0.16 -0.04 3.68 3.78 2q51A1 PRO 174 HD3 0.00 0.54 -0.64 -0.04 3.65 3.52 2q51A1 VAL 175 H 0.00 0.14 0.17 -0.55 8.24 8.01 2q51A1 VAL 175 HA 0.39 0.21 0.74 -0.75 4.13 4.72 2q51A1 VAL 175 HB 0.16 -0.03 0.14 -0.04 2.12 2.35 2q51A1 VAL 175 HG13 0.75 -0.01 -0.17 -0.04 0.97 1.50 2q51A1 VAL 175 HG23 -0.04 0.05 -0.22 -0.04 0.95 0.70 2q51A1 GLY 176 H 0.24 0.47 0.25 -0.55 8.43 8.85 2q51A1 GLY 176 HA2 0.20 0.07 0.85 -0.51 4.01 4.62 2q51A1 GLY 176 HA3 0.15 -0.01 0.38 -0.51 4.01 4.03 2q51A1 ILE 177 H 0.21 0.20 0.09 -0.55 8.25 8.21 2q51A1 ILE 177 HA 0.09 0.35 1.05 -0.75 4.18 4.91 2q51A1 ILE 177 HB 0.09 -0.11 0.07 -0.04 1.89 1.90 2q51A1 ILE 177 HG12 -0.01 0.08 -0.05 -0.04 1.49 1.47 2q51A1 ILE 177 HG13 0.12 -0.02 -0.31 -0.04 1.21 0.96 2q51A1 ILE 177 HG23 0.03 0.01 -0.22 -0.04 0.93 0.70 2q51A1 ILE 177 HD13 -0.33 -0.00 -0.07 -0.04 0.88 0.44 2q51A1 GLU 178 H 0.10 0.68 0.26 -0.55 8.60 9.09 2q51A1 GLU 178 HA 0.17 0.11 0.83 -0.75 4.29 4.65 2q51A1 GLU 178 HB2 0.17 -0.02 -0.23 -0.04 2.09 1.96 2q51A1 GLU 178 HB3 0.14 0.07 -0.11 -0.04 1.99 2.05 2q51A1 GLU 178 HG2 0.18 -0.06 -0.28 -0.04 2.34 2.14 2q51A1 GLU 178 HG3 0.24 -0.07 -0.18 -0.04 2.34 2.29 2q51A1 VAL 179 H 0.11 0.22 0.10 -0.55 8.24 8.12 2q51A1 VAL 179 HA 0.07 0.38 0.96 -0.75 4.13 4.78 2q51A1 VAL 179 HB 0.04 -0.11 0.06 -0.04 2.12 2.07 2q51A1 VAL 179 HG13 0.03 0.03 -0.09 -0.04 0.97 0.89 2q51A1 VAL 179 HG23 0.04 0.04 -0.30 -0.04 0.95 0.68 2q51A1 GLY 180 H 0.06 0.47 0.13 -0.55 8.43 8.54 2q51A1 GLY 180 HA2 0.03 0.03 1.00 -0.51 4.01 4.56 2q51A1 GLY 180 HA3 0.02 0.13 0.30 -0.51 4.01 3.95 2q51A1 PRO 181 HA 0.01 0.16 0.41 -0.51 4.44 4.52 2q51A1 PRO 181 HB2 -0.00 0.01 -0.05 -0.04 2.28 2.19 2q51A1 PRO 181 HB3 -0.00 0.17 -0.41 -0.04 2.02 1.73 2q51A1 PRO 181 HG2 -0.01 -0.04 0.13 -0.04 2.03 2.08 2q51A1 PRO 181 HG3 -0.01 0.01 -0.03 -0.04 2.03 1.96 2q51A1 PRO 181 HD2 0.00 0.03 0.43 -0.04 3.68 4.10 2q51A1 PRO 181 HD3 0.01 0.17 -0.32 -0.04 3.65 3.46 2q51A1 GLN 182 H 0.01 0.79 0.26 -0.55 8.47 8.98 2q51A1 GLN 182 HA -0.02 0.19 0.94 -0.75 4.36 4.72 2q51A1 GLN 182 HB2 -0.00 0.05 -0.20 -0.04 2.15 1.95 2q51A1 GLN 182 HB3 0.00 -0.09 0.15 -0.04 2.02 2.05 2q51A1 GLN 182 HG2 -0.03 -0.00 -0.05 -0.04 2.40 2.28 2q51A1 GLN 182 HG3 -0.03 0.07 -0.06 -0.04 2.39 2.33 2q51A1 GLN 182 HE21 -0.07 0.19 -0.01 -0.04 6.97 7.04 2q51A1 GLN 182 HE22 -0.07 0.05 0.04 -0.04 7.69 7.68 2q51A1 PRO 183 HA -0.03 -0.09 0.40 -0.51 4.44 4.22 2q51A1 PRO 183 HB2 -0.04 0.15 -0.03 -0.04 2.28 2.32 2q51A1 PRO 183 HB3 -0.03 0.03 0.11 -0.04 2.02 2.08 2q51A1 PRO 183 HG2 -0.03 -0.05 0.01 -0.04 2.03 1.91 2q51A1 PRO 183 HG3 -0.03 0.07 0.05 -0.04 2.03 2.08 2q51A1 PRO 183 HD2 -0.02 0.14 0.20 -0.04 3.68 3.95 2q51A1 PRO 183 HD3 -0.02 0.18 0.03 -0.04 3.65 3.80 2q51A1 GLN 184 H -0.04 -0.03 0.22 -0.55 8.47 8.07 2q51A1 GLN 184 HA -0.02 0.16 0.66 -0.75 4.36 4.40 2q51A1 GLN 184 HB2 -0.06 -0.02 0.16 -0.04 2.15 2.19 2q51A1 GLN 184 HB3 -0.05 0.08 0.22 -0.04 2.02 2.23 2q51A1 GLN 184 HG2 -0.05 0.03 0.12 -0.04 2.40 2.46 2q51A1 GLN 184 HG3 -0.05 -0.08 0.19 -0.04 2.39 2.41 2q51A1 GLN 184 HE21 -0.14 -0.01 0.05 -0.04 6.97 6.83 2q51A1 GLN 184 HE22 -0.14 0.02 0.08 -0.04 7.69 7.61 2q51A1 GLY 185 H -0.03 0.23 0.25 -0.55 8.43 8.33 2q51A1 GLY 185 HA2 -0.03 0.02 0.35 -0.51 4.01 3.83 2q51A1 GLY 185 HA3 -0.04 0.10 0.42 -0.51 4.01 3.98 2q51A1 VAL 186 H -0.04 0.40 -0.19 -0.55 8.24 7.86 2q51A1 VAL 186 HA -0.06 0.21 0.90 -0.75 4.13 4.42 2q51A1 VAL 186 HB -0.05 0.06 -0.09 -0.04 2.12 2.01 2q51A1 VAL 186 HG13 -0.06 -0.03 -0.06 -0.04 0.97 0.78 2q51A1 VAL 186 HG23 -0.04 0.05 -0.20 -0.04 0.95 0.72 2q51A1 LEU 187 H -0.10 0.23 0.04 -0.55 8.37 7.98 2q51A1 LEU 187 HA -0.14 0.07 0.68 -0.75 4.35 4.22 2q51A1 LEU 187 HB2 -0.27 0.02 -0.11 -0.04 1.64 1.24 2q51A1 LEU 187 HB3 -0.26 0.04 0.09 -0.04 1.64 1.47 2q51A1 LEU 187 HG -0.34 -0.05 -0.39 -0.04 1.64 0.81 2q51A1 LEU 187 HD13 -0.34 0.01 -0.21 -0.04 0.93 0.34 2q51A1 LEU 187 HD23 -1.19 0.02 -0.06 -0.04 0.89 -0.38 2q51A1 ARG 188 H -0.09 0.19 -0.01 -0.55 8.46 8.00 2q51A1 ARG 188 HA -0.08 0.18 0.72 -0.75 4.34 4.41 2q51A1 ARG 188 HB2 -0.05 -0.04 0.21 -0.04 1.90 1.99 2q51A1 ARG 188 HB3 -0.04 -0.03 0.07 -0.04 1.80 1.76 2q51A1 ARG 188 HG2 -0.04 0.05 0.01 -0.04 1.67 1.65 2q51A1 ARG 188 HG3 -0.05 -0.05 -0.01 -0.04 1.67 1.52 2q51A1 ARG 188 HD2 -0.03 0.09 0.10 -0.04 3.22 3.34 2q51A1 ARG 188 HD3 -0.03 0.03 0.08 -0.04 3.22 3.27 2q51A1 ALA 189 H -0.08 0.28 0.19 -0.55 8.40 8.24 2q51A1 ALA 189 HA -0.08 0.07 0.22 -0.75 4.34 3.80 2q51A1 ALA 189 HB3 -0.05 0.04 0.08 -0.04 1.41 1.43 2q51A1 ASP 190 H -0.04 -0.06 -0.71 -0.55 8.40 7.04 2q51A1 ASP 190 HA -0.02 0.17 0.48 -0.75 4.63 4.51 2q51A1 ASP 190 HB2 -0.02 0.09 0.03 -0.04 2.71 2.77 2q51A1 ASP 190 HB3 -0.02 -0.06 0.03 -0.04 2.70 2.60 2q51A1 ILE 191 H -0.03 0.20 0.02 -0.55 8.25 7.88 2q51A1 ILE 191 HA -0.01 0.11 0.54 -0.75 4.18 4.07 2q51A1 ILE 191 HB -0.03 -0.04 0.11 -0.04 1.89 1.89 2q51A1 ILE 191 HG12 -0.01 -0.05 -0.07 -0.04 1.49 1.32 2q51A1 ILE 191 HG13 -0.01 0.03 -0.20 -0.04 1.21 0.99 2q51A1 ILE 191 HG23 -0.00 0.00 -0.15 -0.04 0.93 0.74 2q51A1 ILE 191 HD13 0.01 0.04 -0.27 -0.04 0.88 0.62 2q51A1 LEU 192 H -0.04 0.30 -0.37 -0.55 8.37 7.71 2q51A1 LEU 192 HA -0.02 0.09 0.41 -0.75 4.35 4.08 2q51A1 LEU 192 HB2 -0.07 -0.13 -0.07 -0.04 1.64 1.32 2q51A1 LEU 192 HB3 -0.03 0.12 -0.01 -0.04 1.64 1.68 2q51A1 LEU 192 HG -0.00 0.10 0.17 -0.04 1.64 1.87 2q51A1 LEU 192 HD13 0.07 -0.05 -0.01 -0.04 0.93 0.90 2q51A1 LEU 192 HD23 0.02 0.01 0.05 -0.04 0.89 0.93 2q51A1 ASP 193 H -0.01 -0.12 -1.04 -0.55 8.40 6.68 2q51A1 ASP 193 HA -0.01 0.17 0.62 -0.75 4.63 4.65 2q51A1 ASP 193 HB2 -0.01 0.04 -0.04 -0.04 2.71 2.67 2q51A1 ASP 193 HB3 -0.01 -0.04 0.06 -0.04 2.70 2.67 2q51A1 GLN 194 H -0.01 -0.02 0.15 -0.55 8.47 8.05 2q51A1 GLN 194 HA -0.01 0.07 0.29 -0.75 4.36 3.96 2q51A1 GLN 194 HB2 -0.00 0.01 0.03 -0.04 2.15 2.15 2q51A1 GLN 194 HB3 0.00 -0.03 0.16 -0.04 2.02 2.11 2q51A1 GLN 194 HG2 0.01 -0.03 0.06 -0.04 2.40 2.40 2q51A1 GLN 194 HG3 0.00 0.03 0.09 -0.04 2.39 2.47 2q51A1 GLN 194 HE21 0.02 0.03 0.11 -0.04 6.97 7.09 2q51A1 GLN 194 HE22 0.04 -0.08 0.11 -0.04 7.69 7.72 2q51A1 ARG 196 HA -0.01 -0.08 0.20 -0.75 4.34 3.69 2q51A1 ARG 196 HB2 -0.02 0.03 0.12 -0.04 1.90 2.00 2q51A1 ARG 196 HB3 -0.05 -0.04 -0.03 -0.04 1.80 1.65 2q51A1 ARG 196 HG2 0.14 -0.09 0.06 -0.04 1.67 1.74 2q51A1 ARG 196 HG3 0.06 0.06 0.04 -0.04 1.67 1.78 2q51A1 ARG 196 HD2 0.04 0.09 0.13 -0.04 3.22 3.44 2q51A1 ARG 196 HD3 0.09 -0.04 0.04 -0.04 3.22 3.26 2q51A1 LYS 197 H -0.11 0.30 -0.04 -0.55 8.42 8.02 2q51A1 LYS 197 HA -0.52 0.00 0.13 -0.75 4.32 3.18 2q51A1 LYS 197 HB2 -0.09 0.05 0.08 -0.04 1.87 1.87 2q51A1 LYS 197 HB3 -0.07 0.08 0.09 -0.04 1.79 1.86 2q51A1 LYS 197 HG2 -0.09 -0.09 -0.01 -0.04 1.46 1.24 2q51A1 LYS 197 HG3 -0.06 0.12 -0.02 -0.04 1.46 1.46 2q51A1 LYS 197 HD2 -0.03 0.12 0.06 -0.04 1.69 1.80 2q51A1 LYS 197 HD3 0.01 -0.02 0.04 -0.04 1.68 1.67 2q51A1 LYS 197 HE2 -0.01 -0.03 0.02 -0.04 2.99 2.93 2q51A1 LYS 197 HE3 -0.00 -0.08 0.00 -0.04 2.99 2.87 2q51A1 ILE 199 HA -0.25 -0.02 0.28 -0.75 4.18 3.44 2q51A1 ILE 199 HB -0.05 0.06 0.18 -0.04 1.89 2.04 2q51A1 ILE 199 HG12 -0.28 -0.04 0.01 -0.04 1.49 1.14 2q51A1 ILE 199 HG13 -0.14 0.04 0.02 -0.04 1.21 1.09 2q51A1 ILE 199 HG23 -0.06 0.01 -0.11 -0.04 0.93 0.73 2q51A1 ILE 199 HD13 0.10 0.01 -0.02 -0.04 0.88 0.93 2q51A1 LYS 200 H -0.08 0.39 0.10 -0.55 8.42 8.28 2q51A1 LYS 200 HA -0.02 0.04 0.38 -0.75 4.32 3.97 2q51A1 LYS 200 HB2 -0.03 0.06 0.14 -0.04 1.87 2.00 2q51A1 LYS 200 HB3 0.16 0.04 -0.09 -0.04 1.79 1.86 2q51A1 LYS 200 HG2 -0.01 -0.04 0.09 -0.04 1.46 1.46 2q51A1 LYS 200 HG3 -0.13 0.01 0.13 -0.04 1.46 1.42 2q51A1 LYS 200 HD2 -0.01 0.06 0.02 -0.04 1.69 1.71 2q51A1 LYS 200 HD3 0.02 0.02 0.06 -0.04 1.68 1.73 2q51A1 LYS 200 HE2 0.19 0.03 -0.09 -0.04 2.99 3.08 2q51A1 LYS 200 HE3 0.10 -0.05 -0.05 -0.04 2.99 2.94 2q51A1 HIS 201 H 0.03 0.22 -0.80 -0.55 8.41 7.31 2q51A1 HIS 201 HA -0.03 0.12 0.73 -0.75 4.63 4.70 2q51A1 HIS 201 HB2 -0.08 0.19 0.24 -0.04 3.26 3.58 2q51A1 HIS 201 HB3 -0.10 -0.03 0.14 -0.04 3.20 3.18 2q51A1 HIS 201 HD2 -0.06 0.16 0.04 -0.04 6.97 7.07 2q51A1 HIS 201 HE1 -0.01 -0.05 -0.13 -0.04 7.75 7.52 2q51A1 ALA 202 H 0.04 0.61 -0.16 -0.55 8.40 8.35 2q51A1 ALA 202 HA 0.14 0.10 0.69 -0.75 4.34 4.52 2q51A1 ALA 202 HB3 0.05 0.05 0.08 -0.04 1.41 1.54 2q51A1 LEU 203 H 0.07 1.01 0.26 -0.55 8.37 9.16 2q51A1 LEU 203 HA 0.13 0.03 0.21 -0.75 4.35 3.96 2q51A1 LEU 203 HB2 0.04 0.08 -0.01 -0.04 1.64 1.71 2q51A1 LEU 203 HB3 0.02 -0.04 0.03 -0.04 1.64 1.62 2q51A1 LEU 203 HG 0.00 0.22 -0.23 -0.04 1.64 1.59 2q51A1 LEU 203 HD13 -0.12 0.01 -0.04 -0.04 0.93 0.74 2q51A1 LEU 203 HD23 0.11 -0.02 -0.12 -0.04 0.89 0.82 2q51A1 ASP 204 H 0.13 -0.05 -1.74 -0.55 8.40 6.19 2q51A1 ASP 204 HA 0.23 0.04 0.45 -0.75 4.63 4.59 2q51A1 ASP 204 HB2 0.08 0.33 -0.08 -0.04 2.71 3.00 2q51A1 ASP 204 HB3 -0.14 -0.07 -0.05 -0.04 2.70 2.40 2q51A1 PHE 205 H 0.32 0.33 0.03 -0.55 8.34 8.46 2q51A1 PHE 205 HA 0.34 -0.05 0.39 -0.75 4.62 4.54 2q51A1 PHE 205 HB2 0.59 0.07 0.12 -0.04 3.15 3.89 2q51A1 PHE 205 HB3 0.19 0.08 0.08 -0.04 3.06 3.37 2q51A1 PHE 205 HD2 0.03 0.01 -0.08 -0.04 7.28 7.20 2q51A1 PHE 205 HE2 -0.28 0.02 -0.10 -0.04 7.38 6.99 2q51A1 PHE 205 HZ -0.35 -0.00 -0.07 -0.04 7.32 6.86 2q51A1 ILE 206 H 0.18 0.39 -0.83 -0.55 8.25 7.44 2q51A1 ILE 206 HA -0.12 0.14 0.64 -0.75 4.18 4.09 2q51A1 ILE 206 HB 0.11 0.05 -0.11 -0.04 1.89 1.90 2q51A1 ILE 206 HG12 0.05 -0.00 -0.10 -0.04 1.49 1.40 2q51A1 ILE 206 HG13 0.03 -0.02 -0.32 -0.04 1.21 0.85 2q51A1 ILE 206 HG23 0.03 -0.01 0.06 -0.04 0.93 0.97 2q51A1 ILE 206 HD13 0.31 0.15 -0.28 -0.04 0.88 1.03 2q51A1 HIS 207 H 0.27 0.38 -0.32 -0.55 8.41 8.19 2q51A1 HIS 207 HA 0.09 0.14 0.80 -0.75 4.63 4.90 2q51A1 HIS 207 HB2 0.15 0.18 0.03 -0.04 3.26 3.59 2q51A1 HIS 207 HB3 0.34 -0.01 0.19 -0.04 3.20 3.68 2q51A1 HIS 207 HD2 0.04 0.04 -0.00 -0.04 6.97 7.00 2q51A1 HIS 207 HE1 0.01 0.09 -0.36 -0.04 7.75 7.44 2q51A1 HIS 208 H 0.56 0.63 0.22 -0.55 8.41 9.27 2q51A1 HIS 208 HA -0.01 0.04 0.41 -0.75 4.63 4.31 2q51A1 HIS 208 HB2 0.21 0.05 0.04 -0.04 3.26 3.52 2q51A1 HIS 208 HB3 0.11 0.01 -0.03 -0.04 3.20 3.25 2q51A1 HIS 208 HD2 0.06 -0.00 -0.01 -0.04 6.97 6.97 2q51A1 HIS 208 HE1 0.11 -0.00 -0.00 -0.04 7.75 7.81 2q51A1 PHE 209 H 0.23 0.25 -0.28 -0.55 8.34 7.98 2q51A1 PHE 209 HA 0.14 0.05 0.29 -0.75 4.62 4.33 2q51A1 PHE 209 HB2 -0.38 0.17 0.10 -0.04 3.15 2.99 2q51A1 PHE 209 HB3 -0.06 -0.01 -0.07 -0.04 3.06 2.88 2q51A1 PHE 209 HD2 0.35 0.00 -0.16 -0.04 7.28 7.43 2q51A1 PHE 209 HE2 0.12 0.01 -0.16 -0.04 7.38 7.31 2q51A1 PHE 209 HZ -0.25 0.16 -0.18 -0.04 7.32 7.01 2q51A1 ASN 210 H 0.20 0.27 -0.57 -0.55 8.53 7.88 2q51A1 ASN 210 HA 0.10 0.01 0.29 -0.75 4.76 4.40 2q51A1 ASN 210 HB2 0.03 0.08 0.09 -0.04 2.88 3.04 2q51A1 ASN 210 HB3 0.12 -0.07 0.03 -0.04 2.79 2.83 2q51A1 ASN 210 HD21 0.21 0.06 0.09 -0.04 7.03 7.35 2q51A1 ASN 210 HD22 0.25 -0.06 0.04 -0.04 7.74 7.92 2q51A1 GLU 211 H -0.08 0.42 -0.19 -0.55 8.60 8.21 2q51A1 GLU 211 HA -0.11 -0.02 0.31 -0.75 4.29 3.71 2q51A1 GLU 211 HB2 -0.11 0.20 0.17 -0.04 2.09 2.31 2q51A1 GLU 211 HB3 -0.10 -0.06 -0.01 -0.04 1.99 1.77 2q51A1 GLU 211 HG2 -0.10 -0.01 0.08 -0.04 2.34 2.26 2q51A1 GLU 211 HG3 -0.16 -0.01 0.05 -0.04 2.34 2.18 2q51A1 GLY 212 H -0.27 0.76 -0.78 -0.55 8.43 7.59 2q51A1 GLY 212 HA2 -0.46 -0.12 0.39 -0.51 4.01 3.31 2q51A1 GLY 212 HA3 -0.23 0.01 0.58 -0.51 4.01 3.85 2q51A1 LYS 213 H -0.23 0.15 -0.03 -0.55 8.42 7.75 2q51A1 LYS 213 HA -0.21 0.05 0.52 -0.75 4.32 3.93 2q51A1 LYS 213 HB2 -0.09 -0.00 -0.01 -0.04 1.87 1.73 2q51A1 LYS 213 HB3 -0.09 -0.02 -0.02 -0.04 1.79 1.63 2q51A1 LYS 213 HG2 -0.31 0.09 -0.13 -0.04 1.46 1.08 2q51A1 LYS 213 HG3 -0.12 -0.02 0.04 -0.04 1.46 1.31 2q51A1 LYS 213 HD2 0.04 -0.02 -0.11 -0.04 1.69 1.57 2q51A1 LYS 213 HD3 -0.02 0.02 -0.06 -0.04 1.68 1.58 2q51A1 LYS 213 HE2 0.01 -0.00 -0.04 -0.04 2.99 2.92 2q51A1 LYS 213 HE3 0.08 -0.01 -0.05 -0.04 2.99 2.97 2q51A1 GLU 214 H -0.34 0.14 0.21 -0.55 8.60 8.06 2q51A1 GLU 214 HA -0.98 0.34 1.07 -0.75 4.29 3.97 2q51A1 GLU 214 HB2 -0.22 0.01 -0.04 -0.04 2.09 1.80 2q51A1 GLU 214 HB3 -0.21 -0.08 0.05 -0.04 1.99 1.72 2q51A1 GLU 214 HG2 -0.14 0.12 -0.40 -0.04 2.34 1.88 2q51A1 GLU 214 HG3 -0.06 0.02 -0.04 -0.04 2.34 2.22 2q51A1 PHE 215 H -0.36 0.30 0.26 -0.55 8.34 7.99 2q51A1 PHE 215 HA 0.02 0.13 0.80 -0.75 4.62 4.82 2q51A1 PHE 215 HB2 0.07 0.17 -0.02 -0.04 3.15 3.34 2q51A1 PHE 215 HB3 0.02 0.00 0.05 -0.04 3.06 3.09 2q51A1 PHE 215 HD2 0.02 -0.03 0.01 -0.04 7.28 7.23 2q51A1 PHE 215 HE2 0.19 -0.02 -0.06 -0.04 7.38 7.46 2q51A1 PHE 215 HZ 0.64 -0.01 -0.06 -0.04 7.32 7.85 2q51A1 PRO 216 HA 0.08 0.02 0.51 -0.51 4.44 4.53 2q51A1 PRO 216 HB2 0.06 0.07 0.02 -0.04 2.28 2.39 2q51A1 PRO 216 HB3 0.05 -0.03 0.13 -0.04 2.02 2.13 2q51A1 PRO 216 HG2 0.12 0.07 0.12 -0.04 2.03 2.30 2q51A1 PRO 216 HG3 0.07 0.01 0.09 -0.04 2.03 2.16 2q51A1 PRO 216 HD2 0.15 0.11 0.27 -0.04 3.68 4.17 2q51A1 PRO 216 HD3 0.07 0.11 0.12 -0.04 3.65 3.91 2q51A1 PRO 217 HA 0.08 0.08 -0.06 -0.51 4.44 4.03 2q51A1 PRO 217 HB2 0.02 0.07 -0.06 -0.04 2.28 2.27 2q51A1 PRO 217 HB3 0.03 -0.04 0.11 -0.04 2.02 2.07 2q51A1 PRO 217 HG2 0.03 0.10 0.12 -0.04 2.03 2.23 2q51A1 PRO 217 HG3 0.05 -0.29 0.26 -0.04 2.03 2.01 2q51A1 PRO 217 HD2 0.04 0.12 0.16 -0.04 3.68 3.96 2q51A1 PRO 217 HD3 0.05 0.13 0.27 -0.04 3.65 4.06 2q51A1 CYS 218 H 0.00 0.01 0.03 -0.55 8.50 7.99 2q51A1 CYS 218 HA -0.14 0.22 0.89 -0.75 4.58 4.80 2q51A1 CYS 218 HB2 -0.10 0.00 -0.15 -0.04 2.97 2.69 2q51A1 CYS 218 HB3 -0.17 0.14 -0.08 -0.04 2.97 2.81 2q51A1 ALA 219 H -0.22 0.17 0.09 -0.55 8.40 7.89 2q51A1 ALA 219 HA -0.06 0.38 1.11 -0.75 4.34 5.01 2q51A1 ALA 219 HB3 -0.06 -0.03 -0.09 -0.04 1.41 1.19 2q51A1 ILE 220 H -0.12 0.06 0.02 -0.55 8.25 7.66 2q51A1 ILE 220 HA -0.09 -0.04 0.27 -0.75 4.18 3.57 2q51A1 ILE 220 HB -0.02 0.01 -0.15 -0.04 1.89 1.70 2q51A1 ILE 220 HG12 -0.00 -0.01 -0.02 -0.04 1.49 1.42 2q51A1 ILE 220 HG13 -0.01 0.03 0.03 -0.04 1.21 1.21 2q51A1 ILE 220 HG23 0.01 0.02 -0.04 -0.04 0.93 0.88 2q51A1 ILE 220 HD13 0.11 0.01 -0.13 -0.04 0.88 0.82 2q51A1 GLU 221 H -0.10 0.08 0.18 -0.55 8.60 8.22 2q51A1 GLU 221 HA -0.09 -0.13 0.77 -0.75 4.29 4.09 2q51A1 GLU 221 HB2 -0.09 -0.06 0.19 -0.04 2.09 2.08 2q51A1 GLU 221 HB3 -0.16 -0.01 0.22 -0.04 1.99 2.01 2q51A1 GLU 221 HG2 -0.12 0.39 -0.43 -0.04 2.34 2.14 2q51A1 GLU 221 HG3 -0.07 -0.23 0.02 -0.04 2.34 2.02 2q51A1 VAL 222 H -0.08 0.15 0.07 -0.55 8.24 7.83 2q51A1 VAL 222 HA -0.23 0.12 0.72 -0.75 4.13 3.99 2q51A1 VAL 222 HB 0.13 0.17 0.04 -0.04 2.12 2.42 2q51A1 VAL 222 HG13 0.01 0.05 -0.21 -0.04 0.97 0.77 2q51A1 VAL 222 HG23 0.02 -0.03 -0.30 -0.04 0.95 0.60 2q51A1 TYR 223 H 0.39 0.40 0.23 -0.55 8.29 8.76 2q51A1 TYR 223 HA 0.09 0.14 0.67 -0.75 4.56 4.70 2q51A1 TYR 223 HB2 0.45 -0.07 0.13 -0.04 3.06 3.52 2q51A1 TYR 223 HB3 0.25 -0.02 -0.09 -0.04 2.98 3.07 2q51A1 TYR 223 HD2 0.15 0.14 0.05 -0.04 7.15 7.46 2q51A1 TYR 223 HE2 -0.17 0.02 0.06 -0.04 6.85 6.73 2q51A1 LYS 224 H 0.12 0.33 0.20 -0.55 8.42 8.51 2q51A1 LYS 224 HA -0.07 0.15 1.23 -0.75 4.32 4.88 2q51A1 LYS 224 HB2 0.01 0.03 -0.11 -0.04 1.87 1.75 2q51A1 LYS 224 HB3 0.02 -0.03 0.05 -0.04 1.79 1.78 2q51A1 LYS 224 HG2 -0.06 0.17 -0.00 -0.04 1.46 1.53 2q51A1 LYS 224 HG3 -0.08 -0.04 -0.03 -0.04 1.46 1.26 2q51A1 LYS 224 HD2 -0.01 -0.14 -0.02 -0.04 1.69 1.48 2q51A1 LYS 224 HD3 -0.00 0.03 -0.07 -0.04 1.68 1.59 2q51A1 LYS 224 HE2 0.01 -0.04 -0.03 -0.04 2.99 2.90 2q51A1 LYS 224 HE3 0.01 0.13 -0.02 -0.04 2.99 3.07 2q51A1 ILE 225 H -0.28 0.46 0.28 -0.55 8.25 8.17 2q51A1 ILE 225 HA 0.13 -0.01 0.38 -0.75 4.18 3.92 2q51A1 ILE 225 HB 0.08 -0.01 0.07 -0.04 1.89 1.99 2q51A1 ILE 225 HG12 0.07 -0.03 -0.08 -0.04 1.49 1.41 2q51A1 ILE 225 HG13 0.02 0.03 -0.29 -0.04 1.21 0.93 2q51A1 ILE 225 HG23 -0.16 0.16 0.24 -0.04 0.93 1.14 2q51A1 ILE 225 HD13 0.10 -0.04 -0.07 -0.04 0.88 0.82 2q51A1 ILE 226 H 0.05 0.17 0.34 -0.55 8.25 8.26 2q51A1 ILE 226 HA 0.02 0.22 1.01 -0.75 4.18 4.67 2q51A1 ILE 226 HB 0.03 -0.05 0.12 -0.04 1.89 1.95 2q51A1 ILE 226 HG12 0.05 0.26 0.17 -0.04 1.49 1.94 2q51A1 ILE 226 HG13 0.02 -0.00 -0.22 -0.04 1.21 0.97 2q51A1 ILE 226 HG23 0.04 0.12 -0.06 -0.04 0.93 0.99 2q51A1 ILE 226 HD13 0.05 -0.04 -0.08 -0.04 0.88 0.77 2q51A1 GLU 227 H 0.01 0.13 0.19 -0.55 8.60 8.37 2q51A1 GLU 227 HA -0.03 0.02 0.54 -0.75 4.29 4.07 2q51A1 GLU 227 HB2 -0.01 0.24 -0.21 -0.04 2.09 2.06 2q51A1 GLU 227 HB3 -0.03 -0.04 -0.03 -0.04 1.99 1.85 2q51A1 GLU 227 HG2 -0.07 0.08 -0.19 -0.04 2.34 2.11 2q51A1 GLU 227 HG3 -0.04 -0.01 0.08 -0.04 2.34 2.34 2q51A1 LYS 228 H -0.07 0.13 0.14 -0.55 8.42 8.08 2q51A1 LYS 228 HA -0.18 0.05 0.90 -0.75 4.32 4.33 2q51A1 LYS 228 HB2 -0.09 -0.02 0.13 -0.04 1.87 1.85 2q51A1 LYS 228 HB3 -0.13 0.10 -0.02 -0.04 1.79 1.70 2q51A1 LYS 228 HG2 -0.12 0.03 -0.07 -0.04 1.46 1.26 2q51A1 LYS 228 HG3 -0.07 -0.07 -0.04 -0.04 1.46 1.23 2q51A1 LYS 228 HD2 -0.11 0.00 -0.03 -0.04 1.69 1.51 2q51A1 LYS 228 HD3 -0.15 0.04 -0.06 -0.04 1.68 1.46 2q51A1 LYS 228 HE2 -0.33 -0.01 -0.09 -0.04 2.99 2.52 2q51A1 LYS 228 HE3 -0.17 -0.01 -0.07 -0.04 2.99 2.70 2q51A1 VAL 229 H -0.47 0.92 0.49 -0.55 8.24 8.64 2q51A1 VAL 229 HA -0.22 0.12 0.91 -0.75 4.13 4.19 2q51A1 VAL 229 HB -1.51 -0.04 0.13 -0.04 2.12 0.66 2q51A1 VAL 229 HG13 0.13 -0.01 -0.10 -0.04 0.97 0.95 2q51A1 VAL 229 HG23 -0.39 0.00 -0.04 -0.04 0.95 0.48 2q51A1 ASP 230 H -0.10 0.11 0.19 -0.55 8.40 8.05 2q51A1 ASP 230 HA -0.07 0.25 0.64 -0.75 4.63 4.70 2q51A1 ASP 230 HB2 -0.07 -0.04 0.11 -0.04 2.71 2.67 2q51A1 ASP 230 HB3 -0.06 0.07 0.07 -0.04 2.70 2.75 2q51A1 TYR 231 H 0.03 0.29 0.27 -0.55 8.29 8.33 2q51A1 TYR 231 HA -0.27 0.21 0.89 -0.75 4.56 4.64 2q51A1 TYR 231 HB2 -0.05 0.09 0.07 -0.04 3.06 3.13 2q51A1 TYR 231 HB3 -0.07 -0.06 -0.07 -0.04 2.98 2.74 2q51A1 TYR 231 HD2 -0.12 0.11 -0.09 -0.04 7.15 7.00 2q51A1 TYR 231 HE2 -0.09 -0.03 0.07 -0.04 6.85 6.77 2q51A1 PRO 232 HA -0.14 0.05 0.52 -0.51 4.44 4.36 2q51A1 PRO 232 HB2 -0.17 -0.12 0.21 -0.04 2.28 2.16 2q51A1 PRO 232 HB3 -0.14 0.04 0.05 -0.04 2.02 1.92 2q51A1 PRO 232 HG2 -0.80 0.09 0.07 -0.04 2.03 1.34 2q51A1 PRO 232 HG3 -0.44 0.03 0.02 -0.04 2.03 1.59 2q51A1 PRO 232 HD2 -1.86 0.12 0.29 -0.04 3.68 2.19 2q51A1 PRO 232 HD3 -1.17 0.41 0.07 -0.04 3.65 2.92 2q51A1 ARG 233 H -0.04 0.17 0.26 -0.55 8.46 8.29 2q51A1 ARG 233 HA -0.04 -0.09 0.60 -0.75 4.34 4.06 2q51A1 ARG 233 HB2 -0.02 -0.02 0.04 -0.04 1.90 1.86 2q51A1 ARG 233 HB3 -0.02 0.19 -0.12 -0.04 1.80 1.82 2q51A1 ARG 233 HG2 -0.00 -0.11 -0.07 -0.04 1.67 1.44 2q51A1 ARG 233 HG3 0.00 0.21 0.09 -0.04 1.67 1.93 2q51A1 ARG 233 HD2 -0.00 -0.06 0.03 -0.04 3.22 3.15 2q51A1 ARG 233 HD3 -0.01 0.09 0.00 -0.04 3.22 3.26 2q51A1 ASP 234 H -0.03 0.61 -0.10 -0.55 8.40 8.33 2q51A1 ASP 234 HA -0.02 0.01 0.26 -0.75 4.63 4.13 2q51A1 ASP 234 HB2 -0.01 -0.11 0.13 -0.04 2.71 2.68 2q51A1 ASP 234 HB3 -0.02 0.14 0.13 -0.04 2.70 2.91 2q51A1 GLU 235 H -0.01 -0.01 -0.00 -0.55 8.60 8.03 2q51A1 GLU 235 HA -0.01 0.32 0.86 -0.75 4.29 4.70 2q51A1 GLU 235 HB2 -0.01 -0.03 0.10 -0.04 2.09 2.11 2q51A1 GLU 235 HB3 -0.01 -0.14 0.19 -0.04 1.99 2.00 2q51A1 GLU 235 HG2 -0.01 0.04 0.03 -0.04 2.34 2.36 2q51A1 GLU 235 HG3 -0.01 0.09 -0.07 -0.04 2.34 2.32 2q51A1 ASN 236 H -0.01 0.10 0.12 -0.55 8.53 8.20 2q51A1 ASN 236 HA -0.01 0.06 0.32 -0.75 4.76 4.38 2q51A1 ASN 236 HB2 -0.01 -0.07 0.08 -0.04 2.88 2.84 2q51A1 ASN 236 HB3 -0.01 0.04 0.02 -0.04 2.79 2.79 2q51A1 ASN 236 HD21 -0.00 0.02 0.04 -0.04 7.03 7.05 2q51A1 ASN 236 HD22 -0.01 -0.01 0.04 -0.04 7.74 7.73 2q51A1 GLY 237 H -0.01 -0.08 -0.73 -0.55 8.43 7.07 2q51A1 GLY 237 HA2 -0.01 0.11 0.34 -0.51 4.01 3.94 2q51A1 GLY 237 HA3 -0.01 0.03 0.53 -0.51 4.01 4.05 2q51A1 GLU 238 H -0.01 0.02 0.01 -0.55 8.60 8.07 2q51A1 GLU 238 HA -0.03 0.03 0.36 -0.75 4.29 3.90 2q51A1 GLU 238 HB2 -0.02 -0.02 0.11 -0.04 2.09 2.12 2q51A1 GLU 238 HB3 -0.02 -0.01 0.05 -0.04 1.99 1.97 2q51A1 GLU 238 HG2 -0.02 -0.01 0.01 -0.04 2.34 2.29 2q51A1 GLU 238 HG3 -0.03 0.08 -0.02 -0.04 2.34 2.33 2q51A1 ILE 239 H -0.07 0.04 0.13 -0.55 8.25 7.81 2q51A1 ILE 239 HA -0.09 0.16 0.34 -0.75 4.18 3.84 2q51A1 ILE 239 HB -0.14 -0.03 0.02 -0.04 1.89 1.70 2q51A1 ILE 239 HG12 -0.63 0.06 -0.01 -0.04 1.49 0.87 2q51A1 ILE 239 HG13 -0.17 -0.01 0.05 -0.04 1.21 1.05 2q51A1 ILE 239 HG23 -0.29 -0.01 -0.03 -0.04 0.93 0.57 2q51A1 ILE 239 HD13 -0.18 -0.00 0.01 -0.04 0.88 0.67 2q51A1 ALA 240 H -0.05 0.22 0.19 -0.55 8.40 8.21 2q51A1 ALA 240 HA -0.01 0.07 0.80 -0.75 4.34 4.44 2q51A1 ALA 240 HB3 -0.02 0.05 -0.30 -0.04 1.41 1.10 2q51A1 ALA 241 H 0.03 0.41 0.15 -0.55 8.40 8.44 2q51A1 ALA 241 HA 0.11 0.14 0.74 -0.75 4.34 4.58 2q51A1 ALA 241 HB3 0.11 0.01 -0.36 -0.04 1.41 1.13 2q51A1 ILE 242 H 0.18 0.46 0.22 -0.55 8.25 8.56 2q51A1 ILE 242 HA 0.91 0.14 0.79 -0.75 4.18 5.26 2q51A1 ILE 242 HB 0.26 0.00 0.08 -0.04 1.89 2.19 2q51A1 ILE 242 HG12 0.07 -0.07 0.02 -0.04 1.49 1.46 2q51A1 ILE 242 HG13 0.12 0.12 0.08 -0.04 1.21 1.49 2q51A1 ILE 242 HG23 -0.03 -0.03 -0.07 -0.04 0.93 0.76 2q51A1 ILE 242 HD13 0.06 0.02 -0.07 -0.04 0.88 0.85 2q51A1 ILE 243 H 0.35 0.07 0.15 -0.55 8.25 8.27 2q51A1 ILE 243 HA -0.36 0.09 0.40 -0.75 4.18 3.55 2q51A1 ILE 243 HB 0.03 -0.03 0.09 -0.04 1.89 1.94 2q51A1 ILE 243 HG12 0.02 -0.04 0.15 -0.04 1.49 1.58 2q51A1 ILE 243 HG13 -0.07 -0.04 0.05 -0.04 1.21 1.10 2q51A1 ILE 243 HG23 -0.15 0.03 -0.19 -0.04 0.93 0.58 2q51A1 ILE 243 HD13 -0.44 0.02 0.03 -0.04 0.88 0.44 2q51A1 HIS 244 H -0.08 0.19 0.10 -0.55 8.41 8.06 2q51A1 HIS 244 HA -0.01 0.20 0.37 -0.75 4.63 4.43 2q51A1 HIS 244 HB2 -0.04 0.17 -0.44 -0.04 3.26 2.91 2q51A1 HIS 244 HB3 -0.11 -0.03 -0.31 -0.04 3.20 2.71 2q51A1 HIS 244 HD2 0.01 0.05 -0.11 -0.04 6.97 6.87 2q51A1 HIS 244 HE1 -0.02 0.07 -0.16 -0.04 7.75 7.60 2q51A1 PRO 245 HA -0.05 0.10 0.67 -0.51 4.44 4.65 2q51A1 PRO 245 HB2 -0.08 0.04 0.20 -0.04 2.28 2.39 2q51A1 PRO 245 HB3 -0.11 0.02 0.10 -0.04 2.02 1.98 2q51A1 PRO 245 HG2 -0.45 0.04 0.08 -0.04 2.03 1.66 2q51A1 PRO 245 HG3 -0.26 0.03 0.06 -0.04 2.03 1.82 2q51A1 PRO 245 HD2 -1.40 0.10 0.11 -0.04 3.68 2.45 2q51A1 PRO 245 HD3 -0.33 0.17 0.08 -0.04 3.65 3.52 2q51A1 ASN 246 H 0.08 0.12 -0.14 -0.55 8.53 8.04 2q51A1 ASN 246 HA 0.03 0.10 0.41 -0.75 4.76 4.55 2q51A1 ASN 246 HB2 0.10 0.09 -0.12 -0.04 2.88 2.92 2q51A1 ASN 246 HB3 0.04 -0.07 -0.26 -0.04 2.79 2.46 2q51A1 ASN 246 HD21 -0.05 -0.04 0.00 -0.04 7.03 6.91 2q51A1 ASN 246 HD22 -0.02 0.00 0.05 -0.04 7.74 7.73 2q51A1 LEU 247 H -0.02 0.05 0.11 -0.55 8.37 7.96 2q51A1 LEU 247 HA -0.18 0.24 0.63 -0.75 4.35 4.28 2q51A1 LEU 247 HB2 -0.27 0.25 0.06 -0.04 1.64 1.65 2q51A1 LEU 247 HB3 -0.24 -0.11 0.10 -0.04 1.64 1.35 2q51A1 LEU 247 HG -0.40 -0.15 -0.22 -0.04 1.64 0.84 2q51A1 LEU 247 HD13 -0.41 0.03 -0.01 -0.04 0.93 0.50 2q51A1 LEU 247 HD23 -0.95 -0.01 -0.05 -0.04 0.89 -0.16 2q51A1 GLN 248 H -0.07 0.18 0.10 -0.55 8.47 8.13 2q51A1 GLN 248 HA -0.09 -0.10 0.30 -0.75 4.36 3.72 2q51A1 GLN 248 HB2 -0.05 0.06 0.01 -0.04 2.15 2.13 2q51A1 GLN 248 HB3 -0.04 -0.02 0.04 -0.04 2.02 1.97 2q51A1 GLN 248 HG2 -0.02 -0.01 -0.08 -0.04 2.40 2.24 2q51A1 GLN 248 HG3 -0.03 0.06 -0.36 -0.04 2.39 2.02 2q51A1 GLN 248 HE21 -0.02 0.04 0.03 -0.04 6.97 6.98 2q51A1 GLN 248 HE22 -0.03 0.05 -0.09 -0.04 7.69 7.58 2q51A1 ASP 249 H -0.09 0.02 0.18 -0.55 8.40 7.97 2q51A1 ASP 249 HA -0.08 -0.15 0.42 -0.75 4.63 4.06 2q51A1 ASP 249 HB2 -0.04 0.24 0.20 -0.04 2.71 3.08 2q51A1 ASP 249 HB3 -0.03 0.01 0.19 -0.04 2.70 2.82 2q51A1 GLN 250 H -0.15 -0.05 0.04 -0.55 8.47 7.76 2q51A1 GLN 250 HA -0.07 0.20 0.73 -0.75 4.36 4.46 2q51A1 GLN 250 HB2 -0.17 0.10 0.07 -0.04 2.15 2.11 2q51A1 GLN 250 HB3 -0.11 -0.05 0.17 -0.04 2.02 1.99 2q51A1 GLN 250 HG2 -0.08 0.06 -1.20 -0.04 2.40 1.13 2q51A1 GLN 250 HG3 -0.09 0.28 -0.19 -0.04 2.39 2.35 2q51A1 GLN 250 HE21 -0.02 -0.12 -0.01 -0.04 6.97 6.77 2q51A1 GLN 250 HE22 -0.04 0.05 -0.09 -0.04 7.69 7.57 2q51A1 ASP 251 H -0.21 0.02 0.04 -0.55 8.40 7.70 2q51A1 ASP 251 HA -0.39 0.40 0.50 -0.75 4.63 4.39 2q51A1 ASP 251 HB2 -0.73 0.23 -0.05 -0.04 2.71 2.12 2q51A1 ASP 251 HB3 -1.16 -0.15 0.18 -0.04 2.70 1.53 2q51A1 TRP 252 H -0.55 0.34 0.13 -0.55 7.97 7.35 2q51A1 TRP 252 HA -0.34 -0.02 0.24 -0.75 4.62 3.75 2q51A1 TRP 252 HB2 -0.46 0.18 0.02 -0.04 3.23 2.93 2q51A1 TRP 252 HB3 -0.63 -0.05 0.11 -0.04 3.23 2.61 2q51A1 TRP 252 HD1 -0.82 0.17 -0.30 -0.04 7.22 6.23 2q51A1 TRP 252 HE1 -0.57 0.13 -0.33 -0.04 10.20 9.39 2q51A1 TRP 252 HE3 -1.59 0.04 -0.03 -0.04 7.59 5.97 2q51A1 TRP 252 HZ2 -0.29 0.06 -0.19 -0.04 7.44 6.98 2q51A1 TRP 252 HZ3 -0.10 0.05 -0.18 -0.04 7.13 6.86 2q51A1 TRP 252 HH2 -0.14 -0.05 -0.24 -0.04 7.19 6.72 2q51A1 LYS 253 H 0.04 0.34 -0.56 -0.55 8.42 7.68 2q51A1 LYS 253 HA 0.41 0.12 0.88 -0.75 4.32 4.97 2q51A1 LYS 253 HB2 -0.04 0.12 0.04 -0.04 1.87 1.95 2q51A1 LYS 253 HB3 0.02 -0.07 0.10 -0.04 1.79 1.80 2q51A1 LYS 253 HG2 0.11 0.12 -0.29 -0.04 1.46 1.37 2q51A1 LYS 253 HG3 0.02 -0.03 -0.06 -0.04 1.46 1.35 2q51A1 LYS 253 HD2 0.07 -0.06 0.01 -0.04 1.69 1.68 2q51A1 LYS 253 HD3 0.17 -0.01 -0.03 -0.04 1.68 1.77 2q51A1 LYS 253 HE2 0.06 -0.01 -0.01 -0.04 2.99 2.99 2q51A1 LYS 253 HE3 0.10 -0.08 -0.01 -0.04 2.99 2.96 2q51A1 PRO 254 HA -0.91 0.66 0.65 -0.51 4.44 4.34 2q51A1 PRO 254 HB2 -0.69 -0.11 0.06 -0.04 2.28 1.49 2q51A1 PRO 254 HB3 -0.87 -0.02 0.09 -0.04 2.02 1.17 2q51A1 PRO 254 HG2 -0.21 0.02 0.13 -0.04 2.03 1.93 2q51A1 PRO 254 HG3 -0.06 0.00 0.10 -0.04 2.03 2.03 2q51A1 PRO 254 HD2 -0.04 0.12 0.22 -0.04 3.68 3.94 2q51A1 PRO 254 HD3 0.10 0.14 0.23 -0.04 3.65 4.07 2q51A1 LEU 255 H -0.42 -0.02 0.30 -0.55 8.37 7.68 2q51A1 LEU 255 HA -0.30 0.18 0.94 -0.75 4.35 4.42 2q51A1 LEU 255 HB2 -0.23 0.13 -0.11 -0.04 1.64 1.40 2q51A1 LEU 255 HB3 -0.15 -0.11 0.14 -0.04 1.64 1.48 2q51A1 LEU 255 HG -0.10 0.02 0.03 -0.04 1.64 1.55 2q51A1 LEU 255 HD13 -0.20 0.03 -0.10 -0.04 0.93 0.62 2q51A1 LEU 255 HD23 -0.15 -0.03 -0.05 -0.04 0.89 0.62 2q51A1 HIS 256 H -0.86 0.10 -0.03 -0.55 8.41 7.08 2q51A1 HIS 256 HA -0.04 0.10 0.18 -0.75 4.63 4.12 2q51A1 HIS 256 HB2 -0.04 -0.13 0.00 -0.04 3.26 3.06 2q51A1 HIS 256 HB3 -0.03 0.07 0.08 -0.04 3.20 3.28 2q51A1 HIS 256 HD2 -0.05 0.02 0.01 -0.04 6.97 6.90 2q51A1 HIS 256 HE1 -0.05 0.01 0.02 -0.04 7.75 7.69 2q51A1 PRO 257 HA 0.03 0.22 0.35 -0.51 4.44 4.53 2q51A1 PRO 257 HB2 0.03 -0.11 0.05 -0.04 2.28 2.21 2q51A1 PRO 257 HB3 0.02 0.11 0.10 -0.04 2.02 2.21 2q51A1 PRO 257 HG2 0.04 -0.08 0.11 -0.04 2.03 2.05 2q51A1 PRO 257 HG3 0.04 0.21 -0.34 -0.04 2.03 1.89 2q51A1 PRO 257 HD2 0.10 0.04 0.07 -0.04 3.68 3.86 2q51A1 PRO 257 HD3 0.08 0.16 -0.15 -0.04 3.65 3.70 2q51A1 GLY 258 H 0.04 -0.06 -0.41 -0.55 8.43 7.45 2q51A1 GLY 258 HA2 -0.01 0.15 0.74 -0.51 4.01 4.38 2q51A1 GLY 258 HA3 -0.00 -0.08 0.24 -0.51 4.01 3.66 2q51A1 ASP 259 H 0.00 -0.06 -0.10 -0.55 8.40 7.69 2q51A1 ASP 259 HA -0.08 -0.03 0.28 -0.75 4.63 4.05 2q51A1 ASP 259 HB2 -0.09 0.24 -0.13 -0.04 2.71 2.69 2q51A1 ASP 259 HB3 -0.13 0.09 -0.05 -0.04 2.70 2.56 2q51A1 PRO 260 HA -0.15 0.19 0.36 -0.51 4.44 4.33 2q51A1 PRO 260 HB2 -1.05 -0.04 -0.08 -0.04 2.28 1.08 2q51A1 PRO 260 HB3 -0.57 0.02 0.02 -0.04 2.02 1.44 2q51A1 PRO 260 HG2 -0.37 -0.06 -0.09 -0.04 2.03 1.46 2q51A1 PRO 260 HG3 -0.61 0.03 -0.06 -0.04 2.03 1.35 2q51A1 PRO 260 HD2 -0.16 0.04 0.09 -0.04 3.68 3.62 2q51A1 PRO 260 HD3 -0.19 0.13 -0.01 -0.04 3.65 3.54 2q51A1 PHE 262 HA 0.10 -0.07 -0.12 -0.75 4.62 3.78 2q51A1 PHE 262 HB2 0.08 -0.00 -0.00 -0.04 3.15 3.18 2q51A1 PHE 262 HB3 0.12 0.01 -0.38 -0.04 3.06 2.76 2q51A1 PHE 262 HD2 0.15 0.02 0.02 -0.04 7.28 7.43 2q51A1 PHE 262 HE2 -0.41 -0.08 0.03 -0.04 7.38 6.88 2q51A1 PHE 262 HZ -0.17 0.01 -0.02 -0.04 7.32 7.11 2q51A1 LEU 263 H 0.22 1.09 0.07 -0.55 8.37 9.20 2q51A1 LEU 263 HA 0.17 0.33 0.94 -0.75 4.35 5.03 2q51A1 LEU 263 HB2 -0.07 -0.10 -0.02 -0.04 1.64 1.40 2q51A1 LEU 263 HB3 -0.00 0.00 0.02 -0.04 1.64 1.62 2q51A1 LEU 263 HG 0.02 0.09 -0.27 -0.04 1.64 1.44 2q51A1 LEU 263 HD13 0.05 0.08 -0.21 -0.04 0.93 0.81 2q51A1 LEU 263 HD23 -0.15 -0.03 -0.06 -0.04 0.89 0.61 2q51A1 THR 264 H 0.09 0.97 0.26 -0.55 8.28 9.05 2q51A1 THR 264 HA 0.07 0.15 1.01 -0.75 4.39 4.87 2q51A1 THR 264 HB 0.04 0.12 0.10 -0.04 4.32 4.53 2q51A1 THR 264 HG23 0.06 0.07 -0.17 -0.04 1.22 1.14 2q51A1 LEU 265 H 0.03 0.43 0.27 -0.55 8.37 8.54 2q51A1 LEU 265 HA 0.01 0.11 0.35 -0.75 4.35 4.07 2q51A1 LEU 265 HB2 0.00 0.00 0.02 -0.04 1.64 1.63 2q51A1 LEU 265 HB3 0.00 0.00 0.11 -0.04 1.64 1.72 2q51A1 LEU 265 HG 0.01 -0.01 0.04 -0.04 1.64 1.65 2q51A1 LEU 265 HD13 0.00 0.03 0.05 -0.04 0.93 0.97 2q51A1 LEU 265 HD23 -0.01 -0.01 -0.03 -0.04 0.89 0.81 2q51A1 ASP 266 H 0.02 0.06 -0.41 -0.55 8.40 7.52 2q51A1 ASP 266 HA 0.01 0.18 0.68 -0.75 4.63 4.74 2q51A1 ASP 266 HB2 0.01 -0.02 0.04 -0.04 2.71 2.70 2q51A1 ASP 266 HB3 0.01 0.02 0.16 -0.04 2.70 2.85 2q51A1 GLY 267 H 0.02 0.48 -0.50 -0.55 8.43 7.88 2q51A1 GLY 267 HA2 0.02 0.03 0.27 -0.51 4.01 3.82 2q51A1 GLY 267 HA3 0.02 0.12 0.63 -0.51 4.01 4.27 2q51A1 LYS 268 H 0.04 -0.05 -0.15 -0.55 8.42 7.71 2q51A1 LYS 268 HA 0.05 0.29 1.04 -0.75 4.32 4.95 2q51A1 LYS 268 HB2 0.04 0.02 0.14 -0.04 1.87 2.03 2q51A1 LYS 268 HB3 0.03 -0.03 -0.01 -0.04 1.79 1.74 2q51A1 LYS 268 HG2 0.04 -0.12 -0.04 -0.04 1.46 1.30 2q51A1 LYS 268 HG3 0.06 0.12 -0.29 -0.04 1.46 1.31 2q51A1 LYS 268 HD2 0.04 0.20 0.04 -0.04 1.69 1.93 2q51A1 LYS 268 HD3 0.03 -0.06 0.01 -0.04 1.68 1.62 2q51A1 LYS 268 HE2 0.02 -0.02 -0.01 -0.04 2.99 2.94 2q51A1 LYS 268 HE3 0.02 -0.07 -0.04 -0.04 2.99 2.86 2q51A1 THR 269 H 0.07 0.10 0.22 -0.55 8.28 8.12 2q51A1 THR 269 HA 0.17 0.33 1.02 -0.75 4.39 5.16 2q51A1 THR 269 HB 0.05 -0.06 0.11 -0.04 4.32 4.38 2q51A1 THR 269 HG23 -0.02 0.03 -0.02 -0.04 1.22 1.17 2q51A1 ILE 270 H 0.12 0.39 0.17 -0.55 8.25 8.38 2q51A1 ILE 270 HA 0.07 0.05 0.67 -0.75 4.18 4.22 2q51A1 ILE 270 HB 0.27 0.06 0.18 -0.04 1.89 2.37 2q51A1 ILE 270 HG12 0.08 0.09 -0.26 -0.04 1.49 1.36 2q51A1 ILE 270 HG13 0.15 -0.01 -0.79 -0.04 1.21 0.52 2q51A1 ILE 270 HG23 0.08 -0.01 -0.01 -0.04 0.93 0.96 2q51A1 ILE 270 HD13 0.07 -0.04 -0.17 -0.04 0.88 0.70 2q51A1 PRO 271 HA 0.00 0.17 0.48 -0.51 4.44 4.58 2q51A1 PRO 271 HB2 0.01 0.37 0.13 -0.04 2.28 2.75 2q51A1 PRO 271 HB3 -0.01 0.10 0.07 -0.04 2.02 2.14 2q51A1 PRO 271 HG2 0.02 -0.00 -0.03 -0.04 2.03 1.98 2q51A1 PRO 271 HG3 0.01 -0.05 0.05 -0.04 2.03 2.00 2q51A1 PRO 271 HD2 0.04 0.05 0.12 -0.04 3.68 3.85 2q51A1 PRO 271 HD3 0.03 0.04 -0.03 -0.04 3.65 3.64 2q51A1 LEU 272 H 0.01 0.31 -0.03 -0.55 8.37 8.11 2q51A1 LEU 272 HA 0.07 0.06 0.69 -0.75 4.35 4.42 2q51A1 LEU 272 HB2 0.01 0.05 -0.03 -0.04 1.64 1.63 2q51A1 LEU 272 HB3 0.01 -0.01 -0.18 -0.04 1.64 1.42 2q51A1 LEU 272 HG 0.04 0.17 -0.20 -0.04 1.64 1.61 2q51A1 LEU 272 HD13 0.10 -0.16 0.06 -0.04 0.93 0.89 2q51A1 LEU 272 HD23 0.02 0.07 0.00 -0.04 0.89 0.94 2q51A1 GLY 273 H 0.06 0.07 0.14 -0.55 8.43 8.15 2q51A1 GLY 273 HA2 0.03 0.10 0.56 -0.51 4.01 4.19 2q51A1 GLY 273 HA3 0.03 -0.04 0.32 -0.51 4.01 3.81 2q51A1 GLY 274 H 0.02 0.08 0.19 -0.55 8.43 8.17 2q51A1 GLY 274 HA2 0.02 -0.01 0.34 -0.51 4.01 3.84 2q51A1 GLY 274 HA3 0.03 0.08 0.67 -0.51 4.01 4.27 2q51A1 ASP 275 H 0.03 -0.05 0.22 -0.55 8.40 8.06 2q51A1 ASP 275 HA 0.03 0.19 0.57 -0.75 4.63 4.67 2q51A1 ASP 275 HB2 0.02 -0.02 0.16 -0.04 2.71 2.83 2q51A1 ASP 275 HB3 0.02 0.11 -0.02 -0.04 2.70 2.77 2q51A1 CYS 276 H 0.04 0.03 0.19 -0.55 8.50 8.21 2q51A1 CYS 276 HA 0.06 0.14 0.90 -0.75 4.58 4.93 2q51A1 CYS 276 HB2 0.05 0.04 0.09 -0.04 2.97 3.11 2q51A1 CYS 276 HB3 0.04 -0.06 0.06 -0.04 2.97 2.96 2q51A1 THR 277 H 0.09 0.08 0.14 -0.55 8.28 8.05 2q51A1 THR 277 HA 0.01 0.09 0.37 -0.75 4.39 4.11 2q51A1 THR 277 HB 0.12 -0.02 0.12 -0.04 4.32 4.50 2q51A1 THR 277 HG23 -0.20 -0.02 -0.09 -0.04 1.22 0.87 2q51A1 VAL 278 H -0.18 0.02 0.23 -0.55 8.24 7.76 2q51A1 VAL 278 HA 0.17 0.12 0.81 -0.75 4.13 4.47 2q51A1 VAL 278 HB 0.12 0.05 0.07 -0.04 2.12 2.31 2q51A1 VAL 278 HG13 0.06 0.02 -0.35 -0.04 0.97 0.66 2q51A1 VAL 278 HG23 0.03 0.01 -0.09 -0.04 0.95 0.87 2q51A1 TYR 279 H 0.34 0.67 0.14 -0.55 8.29 8.89 2q51A1 TYR 279 HA 0.01 0.76 0.67 -0.75 4.56 5.25 2q51A1 TYR 279 HB2 0.35 -0.11 -0.07 -0.04 3.06 3.18 2q51A1 TYR 279 HB3 0.17 -0.07 -0.47 -0.04 2.98 2.57 2q51A1 TYR 279 HD2 0.17 0.19 -0.24 -0.04 7.15 7.23 2q51A1 TYR 279 HE2 0.10 -0.03 -0.03 -0.04 6.85 6.85 2q51A1 PRO 280 HA 0.10 0.11 0.52 -0.51 4.44 4.66 2q51A1 PRO 280 HB2 -0.39 -0.07 -0.09 -0.04 2.28 1.68 2q51A1 PRO 280 HB3 -0.23 -0.03 0.01 -0.04 2.02 1.73 2q51A1 PRO 280 HG2 -0.27 0.13 0.02 -0.04 2.03 1.87 2q51A1 PRO 280 HG3 -0.38 0.04 -0.01 -0.04 2.03 1.63 2q51A1 PRO 280 HD2 -0.17 0.76 0.22 -0.04 3.68 4.46 2q51A1 PRO 280 HD3 -0.09 -0.03 -0.08 -0.04 3.65 3.40 2q51A1 VAL 281 H -0.03 0.55 0.36 -0.55 8.24 8.56 2q51A1 VAL 281 HA -0.81 0.05 0.77 -0.75 4.13 3.38 2q51A1 VAL 281 HB -0.35 0.02 0.02 -0.04 2.12 1.76 2q51A1 VAL 281 HG13 -1.55 -0.00 -0.09 -0.04 0.97 -0.71 2q51A1 VAL 281 HG23 -0.96 0.10 -0.13 -0.04 0.95 -0.08 2q51A1 PHE 282 H -0.88 0.20 0.07 -0.55 8.34 7.19 2q51A1 PHE 282 HA -0.17 -0.02 0.23 -0.75 4.62 3.91 2q51A1 PHE 282 HB2 -0.17 0.15 -0.14 -0.04 3.15 2.95 2q51A1 PHE 282 HB3 -0.04 -0.04 0.17 -0.04 3.06 3.11 2q51A1 PHE 282 HD2 -0.21 -0.03 -0.11 -0.04 7.28 6.88 2q51A1 PHE 282 HE2 -0.49 0.01 -0.11 -0.04 7.38 6.75 2q51A1 PHE 282 HZ -0.17 0.04 -0.12 -0.04 7.32 7.03 2q51A1 VAL 283 H -0.19 0.05 -0.19 -0.55 8.24 7.35 2q51A1 VAL 283 HA -0.02 0.30 0.50 -0.75 4.13 4.15 2q51A1 VAL 283 HB -0.18 -0.17 0.11 -0.04 2.12 1.84 2q51A1 VAL 283 HG13 -0.20 0.06 -0.27 -0.04 0.97 0.53 2q51A1 VAL 283 HG23 -0.31 0.03 -0.27 -0.04 0.95 0.37 2q51A1 ASN 284 H 0.02 0.62 0.35 -0.55 8.53 8.98 2q51A1 ASN 284 HA 0.12 0.10 0.35 -0.75 4.76 4.58 2q51A1 ASN 284 HB2 0.02 -0.06 -0.26 -0.04 2.88 2.53 2q51A1 ASN 284 HB3 0.07 0.04 0.29 -0.04 2.79 3.15 2q51A1 ASN 284 HD21 0.13 0.01 -0.00 -0.04 7.03 7.13 2q51A1 ASN 284 HD22 0.06 -0.00 -0.00 -0.04 7.74 7.75 2q51A1 GLU 285 H 0.16 0.33 -0.08 -0.55 8.60 8.47 2q51A1 GLU 285 HA 0.11 -0.04 0.59 -0.75 4.29 4.19 2q51A1 GLU 285 HB2 0.27 -0.05 -0.06 -0.04 2.09 2.21 2q51A1 GLU 285 HB3 0.32 0.16 0.02 -0.04 1.99 2.45 2q51A1 GLU 285 HG2 0.07 0.07 -0.04 -0.04 2.34 2.40 2q51A1 GLU 285 HG3 -0.45 -0.12 -0.31 -0.04 2.34 1.42 2q51A1 ALA 286 H 0.03 0.07 0.13 -0.55 8.40 8.08 2q51A1 ALA 286 HA 0.03 0.14 0.26 -0.75 4.34 4.02 2q51A1 ALA 286 HB3 -0.08 -0.00 0.15 -0.04 1.41 1.44 2q51A1 ALA 287 H -0.23 0.04 -0.00 -0.55 8.40 7.67 2q51A1 ALA 287 HA -0.16 0.05 0.37 -0.75 4.34 3.85 2q51A1 ALA 287 HB3 -0.71 -0.01 0.11 -0.04 1.41 0.75 2q51A1 TYR 288 H -0.99 0.07 -0.06 -0.55 8.29 6.75 2q51A1 TYR 288 HA 0.03 -0.02 0.25 -0.75 4.56 4.07 2q51A1 TYR 288 HB2 -0.02 0.19 -0.03 -0.04 3.06 3.16 2q51A1 TYR 288 HB3 -0.03 0.01 0.11 -0.04 2.98 3.02 2q51A1 TYR 288 HD2 -0.06 0.05 -0.03 -0.04 7.15 7.06 2q51A1 TYR 288 HE2 -0.27 -0.01 -0.03 -0.04 6.85 6.50 2q51A1 TYR 289 H 0.25 1.02 -0.15 -0.55 8.29 8.86 2q51A1 TYR 289 HA 0.15 0.12 0.62 -0.75 4.56 4.69 2q51A1 TYR 289 HB2 0.02 0.24 0.27 -0.04 3.06 3.55 2q51A1 TYR 289 HB3 0.04 -0.08 0.03 -0.04 2.98 2.93 2q51A1 TYR 289 HD2 0.04 0.13 -0.01 -0.04 7.15 7.28 2q51A1 TYR 289 HE2 0.05 -0.06 -0.20 -0.04 6.85 6.60 2q51A1 GLU 290 H 0.15 0.33 0.13 -0.55 8.60 8.66 2q51A1 GLU 290 HA 0.10 0.09 0.37 -0.75 4.29 4.09 2q51A1 GLU 290 HB2 0.07 0.01 0.12 -0.04 2.09 2.25 2q51A1 GLU 290 HB3 0.09 -0.04 -0.01 -0.04 1.99 1.99 2q51A1 GLU 290 HG2 0.07 0.03 0.00 -0.04 2.34 2.39 2q51A1 GLU 290 HG3 0.06 0.02 0.10 -0.04 2.34 2.48 2q51A1 LYS 291 H 0.13 0.11 -0.99 -0.55 8.42 7.11 2q51A1 LYS 291 HA 0.06 0.12 0.51 -0.75 4.32 4.25 2q51A1 LYS 291 HB2 0.13 -0.16 0.00 -0.04 1.87 1.79 2q51A1 LYS 291 HB3 0.06 0.07 -0.01 -0.04 1.79 1.87 2q51A1 LYS 291 HG2 0.01 0.04 0.04 -0.04 1.46 1.51 2q51A1 LYS 291 HG3 0.05 -0.00 -0.01 -0.04 1.46 1.45 2q51A1 LYS 291 HD2 0.07 -0.08 -0.03 -0.04 1.69 1.61 2q51A1 LYS 291 HD3 -0.04 0.01 -0.02 -0.04 1.68 1.58 2q51A1 LYS 291 HE2 -0.03 0.03 -0.02 -0.04 2.99 2.93 2q51A1 LYS 291 HE3 0.01 0.00 -0.03 -0.04 2.99 2.93 2q51A1 LYS 292 H 0.10 0.64 -0.26 -0.55 8.42 8.34 2q51A1 LYS 292 HA 0.13 0.03 0.33 -0.75 4.32 4.06 2q51A1 LYS 292 HB2 0.03 0.13 0.31 -0.04 1.87 2.31 2q51A1 LYS 292 HB3 0.07 -0.07 0.24 -0.04 1.79 1.98 2q51A1 LYS 292 HG2 0.04 -0.01 -0.08 -0.04 1.46 1.38 2q51A1 LYS 292 HG3 0.04 -0.03 -0.66 -0.04 1.46 0.77 2q51A1 LYS 292 HD2 0.01 0.01 -0.03 -0.04 1.69 1.65 2q51A1 LYS 292 HD3 0.02 -0.01 0.01 -0.04 1.68 1.65 2q51A1 LYS 292 HE2 0.02 -0.01 -0.03 -0.04 2.99 2.93 2q51A1 LYS 292 HE3 0.02 0.03 -0.06 -0.04 2.99 2.95 2q51A1 GLU 293 H 0.04 0.28 -0.14 -0.55 8.60 8.24 2q51A1 GLU 293 HA -0.07 0.28 1.03 -0.75 4.29 4.78 2q51A1 GLU 293 HB2 -0.05 0.03 -0.09 -0.04 2.09 1.94 2q51A1 GLU 293 HB3 0.03 0.05 0.04 -0.04 1.99 2.07 2q51A1 GLU 293 HG2 -0.05 0.03 -0.75 -0.04 2.34 1.53 2q51A1 GLU 293 HG3 -0.10 -0.02 -0.15 -0.04 2.34 2.03 2q51A1 ALA 294 H -0.16 0.55 0.24 -0.55 8.40 8.49 2q51A1 ALA 294 HA -0.30 0.05 0.75 -0.75 4.34 4.09 2q51A1 ALA 294 HB3 -0.28 0.01 0.03 -0.04 1.41 1.13 2q51A1 PHE 295 H -0.13 0.33 0.27 -0.55 8.34 8.26 2q51A1 PHE 295 HA -0.05 0.17 0.26 -0.75 4.62 4.25 2q51A1 PHE 295 HB2 -0.11 0.09 0.01 -0.04 3.15 3.09 2q51A1 PHE 295 HB3 -0.14 0.12 -0.12 -0.04 3.06 2.87 2q51A1 PHE 295 HD2 -0.17 -0.01 -0.36 -0.04 7.28 6.70 2q51A1 PHE 295 HE2 -0.16 0.04 -0.11 -0.04 7.38 7.11 2q51A1 PHE 295 HZ -0.07 0.08 -0.09 -0.04 7.32 7.19 2q51A1 ALA 296 H 0.16 0.62 0.23 -0.55 8.40 8.87 2q51A1 ALA 296 HA -0.14 0.07 0.90 -0.75 4.34 4.42 2q51A1 ALA 296 HB3 0.09 -0.01 -0.01 -0.04 1.41 1.44 2q51A1 LYS 297 H -0.15 0.63 0.31 -0.55 8.42 8.65 2q51A1 LYS 297 HA 0.22 0.06 0.53 -0.75 4.32 4.38 2q51A1 LYS 297 HB2 -0.16 0.00 0.07 -0.04 1.87 1.75 2q51A1 LYS 297 HB3 -0.01 -0.01 0.10 -0.04 1.79 1.82 2q51A1 LYS 297 HG2 0.09 -0.01 -0.14 -0.04 1.46 1.36 2q51A1 LYS 297 HG3 0.20 0.03 -0.02 -0.04 1.46 1.63 2q51A1 LYS 297 HD2 0.02 -0.04 -0.08 -0.04 1.69 1.55 2q51A1 LYS 297 HD3 0.06 0.09 -0.07 -0.04 1.68 1.72 2q51A1 LYS 297 HE2 0.11 0.05 -0.04 -0.04 2.99 3.07 2q51A1 LYS 297 HE3 -0.10 -0.03 -0.05 -0.04 2.99 2.77 2q51A1 THR 298 H 0.16 0.19 -0.00 -0.55 8.28 8.07 2q51A1 THR 298 HA 0.13 0.23 0.96 -0.75 4.39 4.96 2q51A1 THR 298 HB 0.25 0.04 -0.21 -0.04 4.32 4.35 2q51A1 THR 298 HG23 0.18 0.01 -0.40 -0.04 1.22 0.97 2q51A1 THR 299 H 0.13 0.29 0.24 -0.55 8.28 8.39 2q51A1 THR 299 HA 0.19 0.22 0.79 -0.75 4.39 4.83 2q51A1 THR 299 HB 0.09 0.05 0.06 -0.04 4.32 4.48 2q51A1 THR 299 HG23 0.07 0.03 0.01 -0.04 1.22 1.28 2q51A1 LYS 300 H 0.20 0.17 0.05 -0.55 8.42 8.28 2q51A1 LYS 300 HA -0.15 0.11 0.36 -0.75 4.32 3.89 2q51A1 LYS 300 HB2 -0.43 -0.05 0.05 -0.04 1.87 1.39 2q51A1 LYS 300 HB3 -0.17 -0.05 0.13 -0.04 1.79 1.65 2q51A1 LYS 300 HG2 -0.53 0.10 -0.01 -0.04 1.46 0.98 2q51A1 LYS 300 HG3 -1.12 0.00 -0.10 -0.04 1.46 0.20 2q51A1 LYS 300 HD2 -0.54 0.05 0.01 -0.04 1.69 1.17 2q51A1 LYS 300 HD3 -1.50 -0.00 -0.02 -0.04 1.68 0.12 2q51A1 LYS 300 HE2 -0.22 0.01 0.03 -0.04 2.99 2.76 2q51A1 LYS 300 HE3 -0.17 -0.01 0.02 -0.04 2.99 2.79 2q51A1 LEU 301 H 0.01 0.57 -0.26 -0.55 8.37 8.14 2q51A1 LEU 301 HA -0.02 -0.09 0.30 -0.75 4.35 3.78 2q51A1 LEU 301 HB2 0.00 -0.07 0.09 -0.04 1.64 1.62 2q51A1 LEU 301 HB3 0.02 -0.06 0.09 -0.04 1.64 1.65 2q51A1 LEU 301 HG 0.01 -0.01 -0.06 -0.04 1.64 1.54 2q51A1 LEU 301 HD13 -0.00 0.01 -0.28 -0.04 0.93 0.62 2q51A1 LEU 301 HD23 0.02 -0.02 0.03 -0.04 0.89 0.88 2q51A1 THR 302 H -0.02 -0.01 0.15 -0.55 8.28 7.85 2q51A1 THR 302 HA -0.06 0.19 0.69 -0.75 4.39 4.45 2q51A1 THR 302 HB -0.02 -0.04 0.02 -0.04 4.32 4.23 2q51A1 THR 302 HG23 -0.04 -0.05 0.03 -0.04 1.22 1.11 2q51A1 LEU 303 H -0.04 0.22 -0.10 -0.55 8.37 7.90 2q51A1 LEU 303 HA -0.01 0.03 0.62 -0.75 4.35 4.23 2q51A1 LEU 303 HB2 -0.03 0.68 0.14 -0.04 1.64 2.39 2q51A1 LEU 303 HB3 -0.01 -0.11 -0.05 -0.04 1.64 1.42 2q51A1 LEU 303 HG 0.02 -0.05 -0.12 -0.04 1.64 1.45 2q51A1 LEU 303 HD13 0.01 -0.03 -0.06 -0.04 0.93 0.82 2q51A1 LEU 303 HD23 -0.01 0.13 -0.18 -0.04 0.89 0.79 2q51A1 ASN 304 H -0.01 0.12 0.10 -0.55 8.53 8.19 2q51A1 ASN 304 HA -0.04 0.11 0.98 -0.75 4.76 5.07 2q51A1 ASN 304 HB2 -0.01 -0.01 0.05 -0.04 2.88 2.87 2q51A1 ASN 304 HB3 -0.02 0.02 0.05 -0.04 2.79 2.80 2q51A1 ASN 304 HD21 -0.02 -0.01 -0.04 -0.04 7.03 6.92 2q51A1 ASN 304 HD22 -0.01 0.01 -0.00 -0.04 7.74 7.70 2q51A1 ALA 305 H -0.02 0.98 0.41 -0.55 8.40 9.22 2q51A1 ALA 305 HA 0.01 0.10 0.75 -0.75 4.34 4.44 2q51A1 ALA 305 HB3 0.00 -0.01 0.15 -0.04 1.41 1.51 2q51A1 LYS 306 H 0.03 0.30 0.25 -0.55 8.42 8.45 2q51A1 LYS 306 HA 0.03 -0.01 0.48 -0.75 4.32 4.06 2q51A1 LYS 306 HB2 0.02 0.10 0.16 -0.04 1.87 2.11 2q51A1 LYS 306 HB3 0.04 -0.02 0.02 -0.04 1.79 1.78 2q51A1 LYS 306 HG2 0.05 0.43 -0.16 -0.04 1.46 1.74 2q51A1 LYS 306 HG3 0.04 -0.20 0.17 -0.04 1.46 1.42 2q51A1 LYS 306 HD2 0.02 -0.02 0.03 -0.04 1.69 1.69 2q51A1 LYS 306 HD3 0.03 0.02 -0.00 -0.04 1.68 1.68 2q51A1 LYS 306 HE2 0.02 0.02 -0.01 -0.04 2.99 2.97 2q51A1 LYS 306 HE3 0.02 -0.05 0.03 -0.04 2.99 2.95 2q51A1 SER 307 H 0.06 0.06 0.20 -0.55 8.46 8.23 2q51A1 SER 307 HA 0.17 0.18 0.20 -0.75 4.49 4.29 2q51A1 SER 307 HB2 0.09 0.09 0.08 -0.04 3.95 4.16 2q51A1 SER 307 HB3 0.07 -0.04 0.20 -0.04 3.93 4.12 2q51A1 ILE 308 H 0.27 0.30 0.21 -0.55 8.25 8.48 2q51A1 ILE 308 HA 0.15 0.08 0.68 -0.75 4.18 4.33 2q51A1 ILE 308 HB 0.35 0.07 0.03 -0.04 1.89 2.29 2q51A1 ILE 308 HG12 0.50 -0.01 -0.03 -0.04 1.49 1.91 2q51A1 ILE 308 HG13 1.05 -0.01 0.04 -0.04 1.21 2.25 2q51A1 ILE 308 HG23 0.20 0.02 -0.25 -0.04 0.93 0.86 2q51A1 ILE 308 HD13 0.84 -0.00 -0.07 -0.04 0.88 1.60 2q51A1 ARG 309 H 0.08 0.24 0.18 -0.55 8.46 8.41 2q51A1 ARG 309 HA -0.17 0.25 0.63 -0.75 4.34 4.30 2q51A1 ARG 309 HB2 -0.07 -0.02 -0.10 -0.04 1.90 1.67 2q51A1 ARG 309 HB3 -0.05 -0.02 -0.01 -0.04 1.80 1.69 2q51A1 ARG 309 HG2 -0.16 -0.09 -0.04 -0.04 1.67 1.34 2q51A1 ARG 309 HG3 -0.15 0.14 0.03 -0.04 1.67 1.66 2q51A1 ARG 309 HD2 -0.06 -0.03 -0.05 -0.04 3.22 3.03 2q51A1 ARG 309 HD3 -0.09 0.02 -0.04 -0.04 3.22 3.07 2q51A1 CYS 310 H -0.37 0.17 0.00 -0.55 8.50 7.76 2q51A1 CYS 310 HA -0.22 0.23 0.76 -0.75 4.58 4.59 2q51A1 CYS 310 HB2 -2.07 -0.01 -0.12 -0.04 2.97 0.72 2q51A1 CYS 310 HB3 -0.58 -0.01 0.20 -0.04 2.97 2.55