============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. PHE 2 1.000 -78.926 60.865 -12.547 -99.200 -91.000 TYR 6 0.840 -80.099 68.649 -19.787 -99.200 -91.000 TYR 32 0.840 -65.793 58.590 -37.734 -99.200 -91.000 HIS 33 0.900 -64.586 57.273 -27.681 -99.200 -91.000 HIS 38 0.900 -71.477 65.874 -19.403 -99.200 -91.000 PHE 42 1.000 -76.958 63.436 -21.120 -99.200 -91.000 TYR 44 0.840 -73.114 59.495 -18.173 -99.200 -91.000 HIS 48 0.900 -79.637 56.209 -17.342 -99.200 -91.000 TYR 55 0.840 -77.554 67.651 -40.507 -99.200 -91.000 TYR 56 0.840 -81.885 72.172 -31.287 -99.200 -91.000 TYR 64 0.840 -76.340 57.718 -31.851 -99.200 -91.000 HIS 82 0.900 -76.459 52.476 -39.233 -99.200 -91.000 TYR 84 0.840 -79.687 55.535 -48.100 -99.200 -91.000 TYR 88 0.840 -72.283 59.053 -45.802 -99.200 -91.000 TYR 90 0.840 -81.855 64.205 -39.953 -99.200 -91.000 PHE 94 1.000 -74.933 66.630 -36.453 -99.200 -91.000 TYR 105 0.840 -77.548 72.507 -29.752 -99.200 -91.000 HIS 110 0.900 -83.697 59.992 -23.947 -99.200 -91.000 TYR 112 0.840 -86.790 53.108 -17.941 -99.200 -91.000 PHE 113 1.000 -78.687 46.851 -21.607 -99.200 -91.000 PHE 126 1.000 -73.429 42.156 -13.505 -99.200 -91.000 PHE 128 1.000 -71.899 42.796 -18.672 -99.200 -91.000 TYR 138 0.840 -73.247 44.563 -22.658 -99.200 -91.000 PHE 141 1.000 -74.060 47.858 -17.824 -99.200 -91.000 PHE 146 1.000 -63.882 44.055 -13.185 -99.200 -91.000 TYR 148 0.840 -60.183 52.600 -17.903 -99.200 -91.000 TYR 154 0.840 -67.943 42.532 -10.282 -99.200 -91.000 TYR 157 0.840 -66.030 34.194 -14.786 -99.200 -91.000 TYR 161 0.840 -71.351 33.913 -24.389 -99.200 -91.000 TYR 162 0.840 -68.261 43.380 -29.424 -99.200 -91.000 TYR 165 0.840 -67.278 41.709 -42.460 -99.200 -91.000 TYR 172 0.840 -65.705 52.068 -26.995 -99.200 -91.000 TYR 178 0.840 -56.778 48.418 -17.993 -99.200 -91.000 PHE 179 1.000 -62.152 47.525 -18.069 -99.200 -91.000 TYR 183 0.840 -59.638 44.214 -12.893 -99.200 -91.000 HIS 190 0.900 -66.165 32.740 -24.439 -99.200 -91.000 TYR 191 0.840 -62.981 39.674 -28.517 -99.200 -91.000 PHE 193 1.000 -63.493 37.862 -34.597 -99.200 -91.000 TYR 195 0.840 -64.590 36.532 -40.790 -99.200 -91.000 PHE 204 1.000 -76.705 30.665 -37.636 -99.200 -91.000 TYR 205 0.840 -71.639 33.407 -38.776 -99.200 -91.000 TYR 211 0.840 -78.730 26.939 -29.541 -99.200 -91.000 PHE 217 1.000 -76.507 31.890 -22.355 -99.200 -91.000 PHE 221 1.000 -80.933 33.318 -17.081 -99.200 -91.000 TYR 224 0.840 -71.840 28.735 -10.870 -99.200 -91.000 TYR 229 0.840 -77.495 43.813 -17.595 -99.200 -91.000 HIS 233 0.900 -80.836 43.752 -36.372 -99.200 -91.000 TYR 238 0.840 -85.606 35.635 -33.240 -99.200 -91.000 HIS 247 0.900 -80.743 23.772 -25.553 -99.200 -91.000 PHE 250 1.000 -86.651 32.145 -19.659 -99.200 -91.000 HIS 259 0.900 -81.584 42.932 -16.130 -99.200 -91.000 TYR 263 0.840 -78.868 49.414 -31.040 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2ok8A1 ASN 5 HA -0.16 -0.01 0.13 -0.75 4.76 3.96 2ok8A1 ASN 5 HB2 -0.24 -0.07 0.12 -0.04 2.88 2.64 2ok8A1 ASN 5 HB3 -0.10 0.04 0.06 -0.04 2.79 2.75 2ok8A1 ASN 5 HD21 -0.01 0.04 -0.08 -0.04 7.03 6.94 2ok8A1 ASN 5 HD22 -0.03 0.10 -0.12 -0.04 7.74 7.65 2ok8A1 PHE 6 H -0.18 0.05 0.07 -0.55 8.34 7.74 2ok8A1 PHE 6 HA -0.14 0.18 0.41 -0.75 4.62 4.31 2ok8A1 PHE 6 HB2 -0.05 -0.05 0.04 -0.04 3.15 3.05 2ok8A1 PHE 6 HB3 -0.16 0.11 0.01 -0.04 3.06 2.98 2ok8A1 PHE 6 HD2 0.04 -0.01 -0.28 -0.04 7.28 6.99 2ok8A1 PHE 6 HE2 -0.02 0.05 -0.14 -0.04 7.38 7.23 2ok8A1 PHE 6 HZ -0.02 0.03 -0.06 -0.04 7.32 7.23 2ok8A1 ILE 7 H -0.02 0.04 -0.15 -0.55 8.25 7.57 2ok8A1 ILE 7 HA -0.21 0.14 0.38 -0.75 4.18 3.73 2ok8A1 ILE 7 HB -0.01 0.03 0.05 -0.04 1.89 1.92 2ok8A1 ILE 7 HG12 -0.03 -0.07 0.01 -0.04 1.49 1.36 2ok8A1 ILE 7 HG13 -0.09 0.01 -0.03 -0.04 1.21 1.06 2ok8A1 ILE 7 HG23 -0.03 -0.01 -0.07 -0.04 0.93 0.79 2ok8A1 ILE 7 HD13 -0.32 -0.01 -0.22 -0.04 0.88 0.29 2ok8A1 ASN 8 H -0.25 0.49 0.27 -0.55 8.53 8.49 2ok8A1 ASN 8 HA -0.14 -0.01 0.29 -0.75 4.76 4.15 2ok8A1 ASN 8 HB2 -0.02 0.15 -0.21 -0.04 2.88 2.76 2ok8A1 ASN 8 HB3 -0.01 -0.04 0.11 -0.04 2.79 2.81 2ok8A1 ASN 8 HD21 0.28 -0.07 0.04 -0.04 7.03 7.24 2ok8A1 ASN 8 HD22 0.11 0.07 0.09 -0.04 7.74 7.97 2ok8A1 LEU 9 H -0.20 0.28 -0.45 -0.55 8.37 7.45 2ok8A1 LEU 9 HA -0.25 0.06 0.53 -0.75 4.35 3.94 2ok8A1 LEU 9 HB2 -0.36 0.09 0.31 -0.04 1.64 1.63 2ok8A1 LEU 9 HB3 -0.79 -0.04 0.03 -0.04 1.64 0.80 2ok8A1 LEU 9 HG -0.10 0.15 0.10 -0.04 1.64 1.75 2ok8A1 LEU 9 HD13 -0.15 -0.03 0.09 -0.04 0.93 0.79 2ok8A1 LEU 9 HD23 -0.15 -0.02 0.06 -0.04 0.89 0.74 2ok8A1 TYR 10 H -0.13 0.37 0.02 -0.55 8.29 8.01 2ok8A1 TYR 10 HA -0.01 0.26 0.84 -0.75 4.56 4.90 2ok8A1 TYR 10 HB2 0.03 -0.19 0.11 -0.04 3.06 2.97 2ok8A1 TYR 10 HB3 0.03 0.11 0.21 -0.04 2.98 3.29 2ok8A1 TYR 10 HD2 -0.12 0.20 0.00 -0.04 7.15 7.19 2ok8A1 TYR 10 HE2 -0.08 0.01 -0.01 -0.04 6.85 6.73 2ok8A1 THR 11 H 0.11 0.24 0.03 -0.55 8.28 8.11 2ok8A1 THR 11 HA 0.12 0.12 0.75 -0.75 4.39 4.63 2ok8A1 THR 11 HB 0.06 -0.06 0.14 -0.04 4.32 4.43 2ok8A1 THR 11 HG23 0.03 0.06 -0.21 -0.04 1.22 1.06 2ok8A1 VAL 12 H 0.06 0.16 0.10 -0.55 8.24 8.01 2ok8A1 VAL 12 HA -0.01 0.11 0.36 -0.75 4.13 3.84 2ok8A1 VAL 12 HB 0.06 0.08 0.13 -0.04 2.12 2.35 2ok8A1 VAL 12 HG13 0.03 -0.01 0.04 -0.04 0.97 0.98 2ok8A1 VAL 12 HG23 0.04 0.01 0.02 -0.04 0.95 0.98 2ok8A1 LYS 13 H 0.05 -0.04 -0.39 -0.55 8.42 7.49 2ok8A1 LYS 13 HA 0.07 0.14 0.58 -0.75 4.32 4.36 2ok8A1 LYS 13 HB2 0.04 -0.07 0.02 -0.04 1.87 1.82 2ok8A1 LYS 13 HB3 0.05 0.07 -0.03 -0.04 1.79 1.84 2ok8A1 LYS 13 HG2 0.04 0.03 0.00 -0.04 1.46 1.49 2ok8A1 LYS 13 HG3 0.05 0.05 0.00 -0.04 1.46 1.52 2ok8A1 LYS 13 HD2 0.03 0.03 -0.03 -0.04 1.69 1.68 2ok8A1 LYS 13 HD3 0.04 -0.12 -0.09 -0.04 1.68 1.48 2ok8A1 LYS 13 HE2 0.03 -0.04 -0.00 -0.04 2.99 2.94 2ok8A1 LYS 13 HE3 0.03 0.01 -0.01 -0.04 2.99 2.99 2ok8A1 ASN 14 H 0.07 -0.00 -0.29 -0.55 8.53 7.76 2ok8A1 ASN 14 HA 0.10 0.16 0.30 -0.75 4.76 4.57 2ok8A1 ASN 14 HB2 0.12 0.04 0.17 -0.04 2.88 3.16 2ok8A1 ASN 14 HB3 0.07 0.03 0.02 -0.04 2.79 2.87 2ok8A1 ASN 14 HD21 -0.11 0.38 0.24 -0.04 7.03 7.51 2ok8A1 ASN 14 HD22 0.09 -0.02 0.12 -0.04 7.74 7.88 2ok8A1 PRO 15 HA 0.09 0.13 0.44 -0.51 4.44 4.59 2ok8A1 PRO 15 HB2 -0.05 -0.07 -0.23 -0.04 2.28 1.89 2ok8A1 PRO 15 HB3 -0.14 -0.07 -0.20 -0.04 2.02 1.57 2ok8A1 PRO 15 HG2 -0.21 -0.03 -0.12 -0.04 2.03 1.63 2ok8A1 PRO 15 HG3 -0.91 0.02 -0.07 -0.04 2.03 1.03 2ok8A1 PRO 15 HD2 0.05 0.08 -0.11 -0.04 3.68 3.66 2ok8A1 PRO 15 HD3 -0.03 0.25 -0.32 -0.04 3.65 3.51 2ok8A1 LEU 16 H -0.10 0.69 0.32 -0.55 8.37 8.73 2ok8A1 LEU 16 HA -0.21 0.14 0.74 -0.75 4.35 4.27 2ok8A1 LEU 16 HB2 -1.27 0.06 0.03 -0.04 1.64 0.43 2ok8A1 LEU 16 HB3 -0.29 -0.12 0.09 -0.04 1.64 1.28 2ok8A1 LEU 16 HG -0.20 0.08 -0.31 -0.04 1.64 1.18 2ok8A1 LEU 16 HD13 -0.25 0.01 0.01 -0.04 0.93 0.65 2ok8A1 LEU 16 HD23 -0.13 0.01 -0.14 -0.04 0.89 0.58 2ok8A1 LYS 17 H -0.12 0.18 0.15 -0.55 8.42 8.08 2ok8A1 LYS 17 HA -0.78 0.09 0.70 -0.75 4.32 3.57 2ok8A1 LYS 17 HB2 -0.11 -0.00 0.09 -0.04 1.87 1.81 2ok8A1 LYS 17 HB3 -0.13 -0.01 0.13 -0.04 1.79 1.74 2ok8A1 LYS 17 HG2 -0.34 0.12 -0.05 -0.04 1.46 1.14 2ok8A1 LYS 17 HG3 -0.63 -0.05 -0.00 -0.04 1.46 0.73 2ok8A1 LYS 17 HD2 0.03 -0.02 -0.00 -0.04 1.69 1.66 2ok8A1 LYS 17 HD3 -0.06 -0.00 -0.05 -0.04 1.68 1.53 2ok8A1 LYS 17 HE2 -0.04 0.03 -0.02 -0.04 2.99 2.91 2ok8A1 LYS 17 HE3 0.09 -0.03 -0.01 -0.04 2.99 3.00 2ok8A1 CYS 18 H -0.39 0.56 0.43 -0.55 8.50 8.55 2ok8A1 CYS 18 HA -0.12 0.21 0.89 -0.75 4.58 4.81 2ok8A1 CYS 18 HB2 -0.17 0.04 -0.07 -0.04 2.97 2.72 2ok8A1 CYS 18 HB3 -0.11 -0.07 -0.06 -0.04 2.97 2.68 2ok8A1 LYS 19 H -0.08 0.42 0.28 -0.55 8.42 8.49 2ok8A1 LYS 19 HA -0.09 0.35 0.94 -0.75 4.32 4.77 2ok8A1 LYS 19 HB2 -0.07 -0.01 -0.16 -0.04 1.87 1.59 2ok8A1 LYS 19 HB3 -0.06 -0.13 0.00 -0.04 1.79 1.56 2ok8A1 LYS 19 HG2 -0.06 0.02 -0.16 -0.04 1.46 1.22 2ok8A1 LYS 19 HG3 -0.05 0.06 -0.15 -0.04 1.46 1.28 2ok8A1 LYS 19 HD2 -0.04 -0.05 -0.06 -0.04 1.69 1.50 2ok8A1 LYS 19 HD3 -0.04 -0.05 -0.08 -0.04 1.68 1.47 2ok8A1 LYS 19 HE2 -0.04 0.15 0.11 -0.04 2.99 3.17 2ok8A1 LYS 19 HE3 -0.03 -0.01 0.00 -0.04 2.99 2.91 2ok8A1 ILE 20 H -0.09 0.84 0.17 -0.55 8.25 8.63 2ok8A1 ILE 20 HA -0.10 0.09 0.75 -0.75 4.18 4.17 2ok8A1 ILE 20 HB -0.11 -0.03 0.24 -0.04 1.89 1.95 2ok8A1 ILE 20 HG12 -0.12 0.15 -0.12 -0.04 1.49 1.35 2ok8A1 ILE 20 HG13 -0.18 0.03 -0.13 -0.04 1.21 0.89 2ok8A1 ILE 20 HG23 -0.12 -0.01 -0.25 -0.04 0.93 0.51 2ok8A1 ILE 20 HD13 -0.14 -0.03 -0.19 -0.04 0.88 0.48 2ok8A1 VAL 21 H -0.06 0.61 0.47 -0.55 8.24 8.71 2ok8A1 VAL 21 HA -0.04 0.13 0.83 -0.75 4.13 4.29 2ok8A1 VAL 21 HB -0.03 0.00 -0.06 -0.04 2.12 1.99 2ok8A1 VAL 21 HG13 -0.01 -0.01 -0.10 -0.04 0.97 0.81 2ok8A1 VAL 21 HG23 -0.03 0.01 -0.04 -0.04 0.95 0.85 2ok8A1 ASP 22 H -0.05 0.36 0.32 -0.55 8.40 8.49 2ok8A1 ASP 22 HA -0.03 0.16 0.54 -0.75 4.63 4.55 2ok8A1 ASP 22 HB2 0.02 0.02 -0.25 -0.04 2.71 2.46 2ok8A1 ASP 22 HB3 0.06 -0.07 -0.07 -0.04 2.70 2.58 2ok8A1 LYS 23 H -0.01 0.23 0.05 -0.55 8.42 8.14 2ok8A1 LYS 23 HA -0.02 0.31 0.84 -0.75 4.32 4.70 2ok8A1 LYS 23 HB2 -0.15 -0.01 -0.28 -0.04 1.87 1.40 2ok8A1 LYS 23 HB3 -0.13 -0.01 0.09 -0.04 1.79 1.69 2ok8A1 LYS 23 HG2 -0.27 -0.06 -0.25 -0.04 1.46 0.84 2ok8A1 LYS 23 HG3 -0.26 -0.02 -0.11 -0.04 1.46 1.03 2ok8A1 LYS 23 HD2 -0.32 0.04 -0.14 -0.04 1.69 1.23 2ok8A1 LYS 23 HD3 -0.38 -0.06 -0.04 -0.04 1.68 1.16 2ok8A1 LYS 23 HE2 -1.61 -0.16 -0.09 -0.04 2.99 1.10 2ok8A1 LYS 23 HE3 -0.65 -0.07 -0.09 -0.04 2.99 2.14 2ok8A1 ILE 24 H 0.14 0.63 0.27 -0.55 8.25 8.75 2ok8A1 ILE 24 HA 0.08 0.17 0.88 -0.75 4.18 4.55 2ok8A1 ILE 24 HB 0.07 -0.10 0.07 -0.04 1.89 1.90 2ok8A1 ILE 24 HG12 0.04 0.07 -0.10 -0.04 1.49 1.45 2ok8A1 ILE 24 HG13 0.10 -0.15 -0.23 -0.04 1.21 0.89 2ok8A1 ILE 24 HG23 -0.01 0.11 -0.02 -0.04 0.93 0.96 2ok8A1 ILE 24 HD13 0.04 -0.00 -0.08 -0.04 0.88 0.80 2ok8A1 ASN 25 H 0.10 0.17 0.20 -0.55 8.53 8.45 2ok8A1 ASN 25 HA -0.21 0.17 0.78 -0.75 4.76 4.75 2ok8A1 ASN 25 HB2 -0.00 0.02 0.21 -0.04 2.88 3.06 2ok8A1 ASN 25 HB3 -0.08 0.10 0.08 -0.04 2.79 2.85 2ok8A1 ASN 25 HD21 -0.18 0.00 0.04 -0.04 7.03 6.84 2ok8A1 ASN 25 HD22 -0.04 0.03 0.05 -0.04 7.74 7.73 2ok8A1 LEU 26 H -0.18 0.57 0.35 -0.55 8.37 8.57 2ok8A1 LEU 26 HA -0.14 0.16 0.79 -0.75 4.35 4.41 2ok8A1 LEU 26 HB2 -0.16 0.03 -0.05 -0.04 1.64 1.41 2ok8A1 LEU 26 HB3 -0.21 -0.09 -0.01 -0.04 1.64 1.30 2ok8A1 LEU 26 HG -0.14 0.05 -0.10 -0.04 1.64 1.40 2ok8A1 LEU 26 HD13 -0.47 -0.03 -0.12 -0.04 0.93 0.26 2ok8A1 LEU 26 HD23 -0.50 -0.04 0.04 -0.04 0.89 0.35 2ok8A1 VAL 27 H -0.14 0.04 0.01 -0.55 8.24 7.59 2ok8A1 VAL 27 HA -0.09 0.29 0.91 -0.75 4.13 4.48 2ok8A1 VAL 27 HB -0.10 0.08 0.15 -0.04 2.12 2.21 2ok8A1 VAL 27 HG13 -0.10 -0.05 -0.14 -0.04 0.97 0.63 2ok8A1 VAL 27 HG23 -0.14 0.06 -0.02 -0.04 0.95 0.81 2ok8A1 ARG 28 H -0.08 0.53 0.32 -0.55 8.46 8.68 2ok8A1 ARG 28 HA -0.06 0.25 0.85 -0.75 4.34 4.63 2ok8A1 ARG 28 HB2 -0.07 -0.05 0.20 -0.04 1.90 1.95 2ok8A1 ARG 28 HB3 -0.05 -0.05 0.12 -0.04 1.80 1.77 2ok8A1 ARG 28 HG2 -0.04 -0.02 0.03 -0.04 1.67 1.60 2ok8A1 ARG 28 HG3 -0.04 0.08 0.03 -0.04 1.67 1.70 2ok8A1 ARG 28 HD2 -0.04 -0.01 -0.04 -0.04 3.22 3.09 2ok8A1 ARG 28 HD3 -0.05 0.06 -0.20 -0.04 3.22 2.99 2ok8A1 PRO 29 HA -0.05 0.14 0.22 -0.51 4.44 4.23 2ok8A1 PRO 29 HB2 -0.03 -0.01 0.05 -0.04 2.28 2.25 2ok8A1 PRO 29 HB3 -0.03 0.07 0.09 -0.04 2.02 2.11 2ok8A1 PRO 29 HG2 -0.03 0.05 0.09 -0.04 2.03 2.10 2ok8A1 PRO 29 HG3 -0.03 0.08 0.10 -0.04 2.03 2.14 2ok8A1 PRO 29 HD2 -0.04 0.07 0.17 -0.04 3.68 3.84 2ok8A1 PRO 29 HD3 -0.04 0.16 0.26 -0.04 3.65 3.98 2ok8A1 ASN 30 H -0.05 0.01 -0.27 -0.55 8.53 7.68 2ok8A1 ASN 30 HA -0.03 0.23 0.62 -0.75 4.76 4.83 2ok8A1 ASN 30 HB2 -0.04 -0.10 0.02 -0.04 2.88 2.72 2ok8A1 ASN 30 HB3 -0.00 -0.03 0.11 -0.04 2.79 2.83 2ok8A1 ASN 30 HD21 -0.01 0.02 -0.05 -0.04 7.03 6.95 2ok8A1 ASN 30 HD22 -0.02 0.09 -0.02 -0.04 7.74 7.75 2ok8A1 SER 31 H -0.08 0.62 -0.23 -0.55 8.46 8.22 2ok8A1 SER 31 HA -0.12 -0.01 0.63 -0.75 4.49 4.24 2ok8A1 SER 31 HB2 -0.09 -0.05 -0.29 -0.04 3.95 3.48 2ok8A1 SER 31 HB3 -0.11 0.22 0.05 -0.04 3.93 4.04 2ok8A1 PRO 32 HA -0.18 0.22 0.60 -0.51 4.44 4.57 2ok8A1 PRO 32 HB2 -0.33 -0.00 0.06 -0.04 2.28 1.96 2ok8A1 PRO 32 HB3 -0.41 0.07 0.09 -0.04 2.02 1.72 2ok8A1 PRO 32 HG2 -0.56 -0.04 -0.02 -0.04 2.03 1.37 2ok8A1 PRO 32 HG3 -1.92 -0.01 0.01 -0.04 2.03 0.06 2ok8A1 PRO 32 HD2 -0.34 -0.09 0.22 -0.04 3.68 3.43 2ok8A1 PRO 32 HD3 -0.50 0.28 0.16 -0.04 3.65 3.55 2ok8A1 ASN 33 H -0.17 -0.02 -0.40 -0.55 8.53 7.40 2ok8A1 ASN 33 HA -0.12 0.20 0.70 -0.75 4.76 4.79 2ok8A1 ASN 33 HB2 -0.11 -0.03 -0.04 -0.04 2.88 2.66 2ok8A1 ASN 33 HB3 -0.11 0.01 -0.05 -0.04 2.79 2.61 2ok8A1 ASN 33 HD21 -0.05 -0.07 0.03 -0.04 7.03 6.90 2ok8A1 ASN 33 HD22 -0.07 0.03 0.03 -0.04 7.74 7.69 2ok8A1 GLU 34 H -0.10 0.25 0.17 -0.55 8.60 8.37 2ok8A1 GLU 34 HA -0.22 0.16 0.75 -0.75 4.29 4.22 2ok8A1 GLU 34 HB2 -0.06 0.09 0.03 -0.04 2.09 2.11 2ok8A1 GLU 34 HB3 -0.04 -0.02 0.22 -0.04 1.99 2.10 2ok8A1 GLU 34 HG2 -0.40 -0.04 -0.14 -0.04 2.34 1.71 2ok8A1 GLU 34 HG3 -0.21 0.04 0.03 -0.04 2.34 2.15 2ok8A1 VAL 35 H -0.34 0.27 0.09 -0.55 8.24 7.70 2ok8A1 VAL 35 HA -0.15 0.29 0.89 -0.75 4.13 4.41 2ok8A1 VAL 35 HB -0.14 -0.07 -0.03 -0.04 2.12 1.83 2ok8A1 VAL 35 HG13 -0.04 -0.01 -0.37 -0.04 0.97 0.51 2ok8A1 VAL 35 HG23 -0.08 -0.01 -0.28 -0.04 0.95 0.54 2ok8A1 TYR 36 H -0.02 0.64 0.23 -0.55 8.29 8.59 2ok8A1 TYR 36 HA -0.04 0.27 1.06 -0.75 4.56 5.09 2ok8A1 TYR 36 HB2 -0.10 -0.01 -0.01 -0.04 3.06 2.90 2ok8A1 TYR 36 HB3 -0.08 0.07 -0.21 -0.04 2.98 2.72 2ok8A1 TYR 36 HD2 -0.06 -0.02 -0.35 -0.04 7.15 6.67 2ok8A1 TYR 36 HE2 -0.05 -0.00 -0.09 -0.04 6.85 6.66 2ok8A1 HIS 37 H 0.15 0.81 0.30 -0.55 8.41 9.12 2ok8A1 HIS 37 HA 0.01 0.22 0.92 -0.75 4.63 5.03 2ok8A1 HIS 37 HB2 -0.11 -0.07 0.05 -0.04 3.26 3.09 2ok8A1 HIS 37 HB3 -0.02 0.06 0.17 -0.04 3.20 3.37 2ok8A1 HIS 37 HD2 0.03 -0.07 -0.28 -0.04 6.97 6.60 2ok8A1 HIS 37 HE1 0.14 -0.01 -0.19 -0.04 7.75 7.65 2ok8A1 LEU 38 H -0.28 0.66 0.32 -0.55 8.37 8.52 2ok8A1 LEU 38 HA -0.14 0.32 1.06 -0.75 4.35 4.84 2ok8A1 LEU 38 HB2 -0.21 -0.09 0.08 -0.04 1.64 1.38 2ok8A1 LEU 38 HB3 -0.18 0.06 -0.08 -0.04 1.64 1.40 2ok8A1 LEU 38 HG -0.15 -0.03 -0.18 -0.04 1.64 1.24 2ok8A1 LEU 38 HD13 -0.21 -0.01 -0.14 -0.04 0.93 0.53 2ok8A1 LEU 38 HD23 -0.18 0.03 -0.13 -0.04 0.89 0.56 2ok8A1 GLU 39 H -0.10 0.52 0.23 -0.55 8.60 8.71 2ok8A1 GLU 39 HA -0.13 0.29 1.00 -0.75 4.29 4.70 2ok8A1 GLU 39 HB2 0.07 -0.01 -0.04 -0.04 2.09 2.07 2ok8A1 GLU 39 HB3 0.00 -0.11 0.09 -0.04 1.99 1.93 2ok8A1 GLU 39 HG2 0.01 -0.02 -0.16 -0.04 2.34 2.13 2ok8A1 GLU 39 HG3 0.05 0.04 -0.12 -0.04 2.34 2.27 2ok8A1 ILE 40 H -0.06 0.74 0.30 -0.55 8.25 8.69 2ok8A1 ILE 40 HA -0.08 0.23 1.00 -0.75 4.18 4.58 2ok8A1 ILE 40 HB -0.14 -0.01 -0.04 -0.04 1.89 1.66 2ok8A1 ILE 40 HG12 -0.14 0.04 -0.29 -0.04 1.49 1.06 2ok8A1 ILE 40 HG13 -0.15 -0.09 -0.63 -0.04 1.21 0.30 2ok8A1 ILE 40 HG23 -0.12 -0.01 -0.38 -0.04 0.93 0.39 2ok8A1 ILE 40 HD13 -0.19 -0.00 -0.26 -0.04 0.88 0.38 2ok8A1 ASN 41 H -0.05 0.71 0.35 -0.55 8.53 8.99 2ok8A1 ASN 41 HA -0.03 0.03 0.77 -0.75 4.76 4.77 2ok8A1 ASN 41 HB2 -0.04 0.01 0.10 -0.04 2.88 2.91 2ok8A1 ASN 41 HB3 -0.05 0.06 0.23 -0.04 2.79 2.98 2ok8A1 ASN 41 HD21 -0.05 0.04 -0.02 -0.04 7.03 6.95 2ok8A1 ASN 41 HD22 -0.04 0.04 -0.01 -0.04 7.74 7.69 2ok8A1 HIS 42 H -0.14 0.21 0.24 -0.55 8.41 8.17 2ok8A1 HIS 42 HA -0.08 0.31 0.89 -0.75 4.63 4.99 2ok8A1 HIS 42 HB2 -0.01 0.01 0.11 -0.04 3.26 3.33 2ok8A1 HIS 42 HB3 -0.10 0.04 -0.13 -0.04 3.20 2.96 2ok8A1 HIS 42 HD2 -0.01 0.01 0.12 -0.04 6.97 7.04 2ok8A1 HIS 42 HE1 0.13 0.25 -0.11 -0.04 7.75 7.98 2ok8A1 ASN 43 H -0.16 0.04 -0.04 -0.55 8.53 7.82 2ok8A1 ASN 43 HA -0.12 0.03 0.29 -0.75 4.76 4.20 2ok8A1 ASN 43 HB2 -0.04 0.15 -0.15 -0.04 2.88 2.80 2ok8A1 ASN 43 HB3 -0.04 0.04 0.20 -0.04 2.79 2.95 2ok8A1 ASN 43 HD21 -0.04 0.00 -0.02 -0.04 7.03 6.94 2ok8A1 ASN 43 HD22 -0.04 0.02 0.03 -0.04 7.74 7.70 2ok8A1 GLY 44 H -0.65 0.00 -0.28 -0.55 8.43 6.96 2ok8A1 GLY 44 HA2 -0.16 0.10 0.26 -0.51 4.01 3.71 2ok8A1 GLY 44 HA3 -0.07 0.10 0.47 -0.51 4.01 4.00 2ok8A1 LEU 45 H 0.13 0.34 -0.31 -0.55 8.37 7.99 2ok8A1 LEU 45 HA 0.12 0.14 0.33 -0.75 4.35 4.18 2ok8A1 LEU 45 HB2 0.09 0.17 0.09 -0.04 1.64 1.94 2ok8A1 LEU 45 HB3 0.14 -0.05 0.00 -0.04 1.64 1.70 2ok8A1 LEU 45 HG 0.03 0.11 -0.12 -0.04 1.64 1.62 2ok8A1 LEU 45 HD13 0.03 -0.01 -0.00 -0.04 0.93 0.90 2ok8A1 LEU 45 HD23 0.07 -0.00 -0.05 -0.04 0.89 0.87 2ok8A1 PHE 46 H 0.85 -0.01 -0.12 -0.55 8.34 8.50 2ok8A1 PHE 46 HA 0.12 0.13 0.60 -0.75 4.62 4.71 2ok8A1 PHE 46 HB2 -0.23 -0.03 -0.02 -0.04 3.15 2.83 2ok8A1 PHE 46 HB3 -0.70 -0.04 -0.01 -0.04 3.06 2.27 2ok8A1 PHE 46 HD2 -0.15 -0.02 -0.32 -0.04 7.28 6.76 2ok8A1 PHE 46 HE2 -0.10 -0.05 -0.40 -0.04 7.38 6.79 2ok8A1 PHE 46 HZ -0.11 -0.01 0.04 -0.04 7.32 7.20 2ok8A1 LYS 47 H -0.41 0.21 0.16 -0.55 8.42 7.83 2ok8A1 LYS 47 HA -0.36 0.17 0.67 -0.75 4.32 4.05 2ok8A1 LYS 47 HB2 -0.72 -0.03 0.11 -0.04 1.87 1.19 2ok8A1 LYS 47 HB3 -1.53 -0.03 -0.01 -0.04 1.79 0.18 2ok8A1 LYS 47 HG2 -0.15 0.14 -0.03 -0.04 1.46 1.39 2ok8A1 LYS 47 HG3 -0.17 -0.01 -0.02 -0.04 1.46 1.22 2ok8A1 LYS 47 HD2 -0.17 -0.06 -0.07 -0.04 1.69 1.35 2ok8A1 LYS 47 HD3 -0.14 0.04 -0.33 -0.04 1.68 1.22 2ok8A1 LYS 47 HE2 0.03 0.09 -0.09 -0.04 2.99 2.98 2ok8A1 LYS 47 HE3 -0.01 -0.06 -0.03 -0.04 2.99 2.85 2ok8A1 TYR 48 H -0.53 0.33 0.18 -0.55 8.29 7.72 2ok8A1 TYR 48 HA 0.10 0.04 0.61 -0.75 4.56 4.55 2ok8A1 TYR 48 HB2 0.27 0.04 0.01 -0.04 3.06 3.34 2ok8A1 TYR 48 HB3 0.15 0.07 -0.31 -0.04 2.98 2.85 2ok8A1 TYR 48 HD2 0.13 0.09 -0.46 -0.04 7.15 6.87 2ok8A1 TYR 48 HE2 0.01 0.09 -0.25 -0.04 6.85 6.66 2ok8A1 LEU 49 H 0.91 0.12 0.11 -0.55 8.37 8.97 2ok8A1 LEU 49 HA 0.09 0.15 0.84 -0.75 4.35 4.67 2ok8A1 LEU 49 HB2 -0.34 0.02 -0.00 -0.04 1.64 1.28 2ok8A1 LEU 49 HB3 -0.02 0.04 0.11 -0.04 1.64 1.72 2ok8A1 LEU 49 HG 0.50 -0.09 -0.08 -0.04 1.64 1.93 2ok8A1 LEU 49 HD13 0.01 0.01 -0.01 -0.04 0.93 0.90 2ok8A1 LEU 49 HD23 0.15 0.03 0.00 -0.04 0.89 1.03 2ok8A1 GLU 50 H 0.05 0.11 0.11 -0.55 8.60 8.33 2ok8A1 GLU 50 HA 0.17 0.09 0.51 -0.75 4.29 4.30 2ok8A1 GLU 50 HB2 0.06 -0.04 0.11 -0.04 2.09 2.18 2ok8A1 GLU 50 HB3 0.30 0.05 -0.15 -0.04 1.99 2.15 2ok8A1 GLU 50 HG2 0.05 0.16 -0.01 -0.04 2.34 2.49 2ok8A1 GLU 50 HG3 0.09 0.04 0.04 -0.04 2.34 2.47 2ok8A1 GLY 51 H 0.02 0.18 0.20 -0.55 8.43 8.29 2ok8A1 GLY 51 HA2 -0.07 -0.08 0.41 -0.51 4.01 3.77 2ok8A1 GLY 51 HA3 0.25 0.42 0.76 -0.51 4.01 4.93 2ok8A1 HIS 52 H 0.14 0.42 -0.14 -0.55 8.41 8.28 2ok8A1 HIS 52 HA 0.10 0.10 0.50 -0.75 4.63 4.58 2ok8A1 HIS 52 HB2 0.21 0.12 0.15 -0.04 3.26 3.70 2ok8A1 HIS 52 HB3 0.12 0.03 0.11 -0.04 3.20 3.43 2ok8A1 HIS 52 HD2 0.02 0.10 -0.21 -0.04 6.97 6.83 2ok8A1 HIS 52 HE1 0.23 -0.02 -0.02 -0.04 7.75 7.89 2ok8A1 THR 53 H 0.16 0.46 0.34 -0.55 8.28 8.69 2ok8A1 THR 53 HA 0.02 0.17 1.05 -0.75 4.39 4.87 2ok8A1 THR 53 HB -0.01 -0.01 -0.04 -0.04 4.32 4.22 2ok8A1 THR 53 HG23 -0.05 -0.01 -0.23 -0.04 1.22 0.89 2ok8A1 CYS 54 H 0.01 0.56 0.32 -0.55 8.50 8.83 2ok8A1 CYS 54 HA 0.24 0.21 0.83 -0.75 4.58 5.11 2ok8A1 CYS 54 HB2 -0.33 0.11 0.11 -0.04 2.97 2.82 2ok8A1 CYS 54 HB3 -0.35 -0.01 -0.05 -0.04 2.97 2.53 2ok8A1 GLY 55 H 0.23 0.64 0.22 -0.55 8.43 8.97 2ok8A1 GLY 55 HA2 0.04 0.33 0.79 -0.51 4.01 4.67 2ok8A1 GLY 55 HA3 0.12 -0.06 0.16 -0.51 4.01 3.72 2ok8A1 ILE 56 H 0.12 0.66 0.24 -0.55 8.25 8.71 2ok8A1 ILE 56 HA 0.04 0.38 0.93 -0.75 4.18 4.77 2ok8A1 ILE 56 HB 0.23 -0.06 0.06 -0.04 1.89 2.08 2ok8A1 ILE 56 HG12 -0.02 0.07 -0.19 -0.04 1.49 1.32 2ok8A1 ILE 56 HG13 0.13 -0.03 -0.41 -0.04 1.21 0.85 2ok8A1 ILE 56 HG23 0.09 -0.02 -0.25 -0.04 0.93 0.72 2ok8A1 ILE 56 HD13 -0.20 -0.02 -0.18 -0.04 0.88 0.45 2ok8A1 ILE 57 H 0.01 0.57 0.10 -0.55 8.25 8.38 2ok8A1 ILE 57 HA 0.01 0.20 0.83 -0.75 4.18 4.46 2ok8A1 ILE 57 HB -0.08 -0.04 -0.02 -0.04 1.89 1.71 2ok8A1 ILE 57 HG12 -0.00 -0.08 -0.37 -0.04 1.49 1.00 2ok8A1 ILE 57 HG13 -0.04 0.02 -0.34 -0.04 1.21 0.81 2ok8A1 ILE 57 HG23 0.13 0.04 -0.47 -0.04 0.93 0.59 2ok8A1 ILE 57 HD13 -0.26 0.01 -0.24 -0.04 0.88 0.34 2ok8A1 PRO 58 HA -1.46 0.02 0.48 -0.51 4.44 2.97 2ok8A1 PRO 58 HB2 -0.75 0.06 -0.01 -0.04 2.28 1.54 2ok8A1 PRO 58 HB3 -0.75 0.04 0.08 -0.04 2.02 1.34 2ok8A1 PRO 58 HG2 -0.23 -0.00 0.04 -0.04 2.03 1.79 2ok8A1 PRO 58 HG3 -0.14 -0.06 0.07 -0.04 2.03 1.85 2ok8A1 PRO 58 HD2 0.08 0.16 0.24 -0.04 3.68 4.12 2ok8A1 PRO 58 HD3 0.00 0.32 0.34 -0.04 3.65 4.27 2ok8A1 TYR 59 H -2.19 0.15 0.20 -0.55 8.29 5.89 2ok8A1 TYR 59 HA -0.22 0.05 0.31 -0.75 4.56 3.95 2ok8A1 TYR 59 HB2 -0.13 0.16 -0.23 -0.04 3.06 2.82 2ok8A1 TYR 59 HB3 -0.07 0.00 0.10 -0.04 2.98 2.98 2ok8A1 TYR 59 HD2 -0.24 0.03 -0.14 -0.04 7.15 6.76 2ok8A1 TYR 59 HE2 -0.14 0.06 -0.01 -0.04 6.85 6.73 2ok8A1 TYR 60 H -0.08 0.19 -0.67 -0.55 8.29 7.17 2ok8A1 TYR 60 HA -0.14 0.03 0.34 -0.75 4.56 4.03 2ok8A1 TYR 60 HB2 -0.17 0.03 -0.07 -0.04 3.06 2.81 2ok8A1 TYR 60 HB3 -0.33 -0.07 -0.06 -0.04 2.98 2.48 2ok8A1 TYR 60 HD2 -1.03 -0.05 -0.21 -0.04 7.15 5.82 2ok8A1 TYR 60 HE2 -0.23 -0.01 -0.09 -0.04 6.85 6.48 2ok8A1 ASN 61 H -0.66 0.26 0.18 -0.55 8.53 7.77 2ok8A1 ASN 61 HA -0.11 0.05 0.51 -0.75 4.76 4.46 2ok8A1 ASN 61 HB2 -0.04 0.11 -0.11 -0.04 2.88 2.80 2ok8A1 ASN 61 HB3 -0.14 -0.02 0.09 -0.04 2.79 2.67 2ok8A1 ASN 61 HD21 0.00 -0.03 -0.03 -0.04 7.03 6.94 2ok8A1 ASN 61 HD22 -0.04 -0.03 -0.04 -0.04 7.74 7.59 2ok8A1 GLU 62 H 0.00 0.12 -0.03 -0.55 8.60 8.15 2ok8A1 GLU 62 HA -0.07 0.12 0.25 -0.75 4.29 3.84 2ok8A1 GLU 62 HB2 0.11 -0.01 0.07 -0.04 2.09 2.22 2ok8A1 GLU 62 HB3 0.08 0.04 0.06 -0.04 1.99 2.12 2ok8A1 GLU 62 HG2 0.24 0.06 0.00 -0.04 2.34 2.60 2ok8A1 GLU 62 HG3 0.39 -0.03 -0.03 -0.04 2.34 2.63 2ok8A1 ARG 98 HA -0.01 -0.01 0.14 -0.75 4.34 3.71 2ok8A1 ARG 98 HB2 -0.05 0.09 0.12 -0.04 1.90 2.02 2ok8A1 ARG 98 HB3 -0.01 -0.34 0.23 -0.04 1.80 1.64 2ok8A1 ARG 98 HG2 -0.02 0.03 0.06 -0.04 1.67 1.71 2ok8A1 ARG 98 HG3 -0.04 0.02 0.06 -0.04 1.67 1.66 2ok8A1 ARG 98 HD2 -0.02 -0.02 0.05 -0.04 3.22 3.19 2ok8A1 ARG 98 HD3 0.00 -0.05 0.06 -0.04 3.22 3.20 2ok8A1 CYS 99 H 0.01 -0.06 0.15 -0.55 8.50 8.06 2ok8A1 CYS 99 HA 0.05 0.25 0.82 -0.75 4.58 4.95 2ok8A1 CYS 99 HB2 0.04 0.03 0.05 -0.04 2.97 3.04 2ok8A1 CYS 99 HB3 0.05 -0.05 0.15 -0.04 2.97 3.08 2ok8A1 ALA 100 H 0.01 -0.07 0.13 -0.55 8.40 7.92 2ok8A1 ALA 100 HA 0.04 0.36 0.66 -0.75 4.34 4.64 2ok8A1 ALA 100 HB3 0.01 -0.04 -0.11 -0.04 1.41 1.23 2ok8A1 ARG 101 H 0.06 0.44 0.32 -0.55 8.46 8.73 2ok8A1 ARG 101 HA -0.13 0.12 0.82 -0.75 4.34 4.39 2ok8A1 ARG 101 HB2 0.19 -0.02 0.10 -0.04 1.90 2.13 2ok8A1 ARG 101 HB3 -0.21 -0.00 0.10 -0.04 1.80 1.64 2ok8A1 ARG 101 HG2 0.11 0.15 0.12 -0.04 1.67 2.01 2ok8A1 ARG 101 HG3 0.14 -0.19 0.09 -0.04 1.67 1.67 2ok8A1 ARG 101 HD2 -0.02 -0.03 0.03 -0.04 3.22 3.16 2ok8A1 ARG 101 HD3 0.03 0.13 -0.27 -0.04 3.22 3.07 2ok8A1 LEU 102 H -0.35 0.11 0.16 -0.55 8.37 7.75 2ok8A1 LEU 102 HA -0.19 0.34 0.75 -0.75 4.35 4.50 2ok8A1 LEU 102 HB2 -0.31 -0.06 0.09 -0.04 1.64 1.32 2ok8A1 LEU 102 HB3 -0.20 -0.01 -0.06 -0.04 1.64 1.33 2ok8A1 LEU 102 HG -0.22 0.05 -0.01 -0.04 1.64 1.42 2ok8A1 LEU 102 HD13 -0.16 -0.01 -0.04 -0.04 0.93 0.68 2ok8A1 LEU 102 HD23 -0.31 -0.01 -0.27 -0.04 0.89 0.26 2ok8A1 TYR 103 H -0.07 0.67 0.31 -0.55 8.29 8.65 2ok8A1 TYR 103 HA -0.14 0.05 0.76 -0.75 4.56 4.48 2ok8A1 TYR 103 HB2 -0.10 0.01 -0.03 -0.04 3.06 2.91 2ok8A1 TYR 103 HB3 -0.08 0.01 -0.02 -0.04 2.98 2.85 2ok8A1 TYR 103 HD2 -0.05 0.05 -0.09 -0.04 7.15 7.01 2ok8A1 TYR 103 HE2 0.01 -0.04 -0.04 -0.04 6.85 6.73 2ok8A1 SER 104 H -0.05 0.10 0.11 -0.55 8.46 8.06 2ok8A1 SER 104 HA -0.04 0.16 0.65 -0.75 4.49 4.50 2ok8A1 SER 104 HB2 -0.05 -0.09 0.07 -0.04 3.95 3.84 2ok8A1 SER 104 HB3 -0.11 0.12 -0.08 -0.04 3.93 3.82 2ok8A1 ILE 105 H -0.06 0.62 0.31 -0.55 8.25 8.56 2ok8A1 ILE 105 HA -0.15 0.18 0.77 -0.75 4.18 4.23 2ok8A1 ILE 105 HB -0.17 0.07 0.14 -0.04 1.89 1.88 2ok8A1 ILE 105 HG12 -0.41 -0.03 -0.10 -0.04 1.49 0.91 2ok8A1 ILE 105 HG13 -0.16 -0.05 -0.07 -0.04 1.21 0.89 2ok8A1 ILE 105 HG23 -0.57 0.01 -0.06 -0.04 0.93 0.27 2ok8A1 ILE 105 HD13 -0.37 0.01 -0.29 -0.04 0.88 0.19 2ok8A1 SER 106 H -0.10 0.54 0.17 -0.55 8.46 8.53 2ok8A1 SER 106 HA -0.18 0.29 0.65 -0.75 4.49 4.49 2ok8A1 SER 106 HB2 -0.52 -0.03 0.02 -0.04 3.95 3.38 2ok8A1 SER 106 HB3 -0.07 -0.06 -0.09 -0.04 3.93 3.67 2ok8A1 SER 107 H -0.06 0.06 -0.06 -0.55 8.46 7.86 2ok8A1 SER 107 HA 0.01 0.15 0.70 -0.75 4.49 4.59 2ok8A1 SER 107 HB2 0.12 0.19 0.03 -0.04 3.95 4.26 2ok8A1 SER 107 HB3 0.06 -0.07 -0.05 -0.04 3.93 3.83 2ok8A1 SER 108 H 0.09 0.11 0.09 -0.55 8.46 8.21 2ok8A1 SER 108 HA 0.12 0.17 0.86 -0.75 4.49 4.89 2ok8A1 SER 108 HB2 0.05 0.04 0.05 -0.04 3.95 4.05 2ok8A1 SER 108 HB3 0.07 0.01 -0.01 -0.04 3.93 3.95 2ok8A1 ASN 109 H -0.02 0.11 0.08 -0.55 8.53 8.15 2ok8A1 ASN 109 HA -0.41 0.11 0.41 -0.75 4.76 4.11 2ok8A1 ASN 109 HB2 -0.06 -0.09 0.13 -0.04 2.88 2.81 2ok8A1 ASN 109 HB3 -0.08 0.07 -0.12 -0.04 2.79 2.62 2ok8A1 ASN 109 HD21 -0.02 0.07 0.18 -0.04 7.03 7.22 2ok8A1 ASN 109 HD22 -0.03 -0.04 0.08 -0.04 7.74 7.71 2ok8A1 ASN 110 H 0.02 -0.00 -0.31 -0.55 8.53 7.69 2ok8A1 ASN 110 HA 0.01 0.23 0.58 -0.75 4.76 4.83 2ok8A1 ASN 110 HB2 0.04 0.02 0.04 -0.04 2.88 2.94 2ok8A1 ASN 110 HB3 0.02 0.02 0.05 -0.04 2.79 2.84 2ok8A1 ASN 110 HD21 0.02 0.01 -0.00 -0.04 7.03 7.01 2ok8A1 ASN 110 HD22 0.01 0.03 -0.03 -0.04 7.74 7.71 2ok8A1 MET 111 H 0.08 0.32 -0.29 -0.55 8.47 8.03 2ok8A1 MET 111 HA 0.08 0.00 0.69 -0.75 4.52 4.53 2ok8A1 MET 111 HB2 0.11 -0.13 0.09 -0.04 2.15 2.18 2ok8A1 MET 111 HB3 0.14 0.22 0.02 -0.04 2.03 2.37 2ok8A1 MET 111 HG2 0.09 -0.08 -0.04 -0.04 2.63 2.56 2ok8A1 MET 111 HG3 0.09 -0.04 0.07 -0.04 2.56 2.64 2ok8A1 MET 111 HE3 0.09 -0.05 -0.33 -0.04 2.10 1.77 2ok8A1 GLU 112 H 0.05 0.02 0.11 -0.55 8.60 8.24 2ok8A1 GLU 112 HA 0.01 0.16 0.45 -0.75 4.29 4.16 2ok8A1 GLU 112 HB2 0.01 -0.08 0.15 -0.04 2.09 2.13 2ok8A1 GLU 112 HB3 -0.02 -0.05 -0.05 -0.04 1.99 1.83 2ok8A1 GLU 112 HG2 -0.00 0.09 -0.00 -0.04 2.34 2.39 2ok8A1 GLU 112 HG3 0.01 0.01 0.04 -0.04 2.34 2.36 2ok8A1 ASN 113 H 0.05 -0.02 -0.01 -0.55 8.53 8.01 2ok8A1 ASN 113 HA 0.09 0.08 0.79 -0.75 4.76 4.97 2ok8A1 ASN 113 HB2 0.05 -0.05 -0.05 -0.04 2.88 2.79 2ok8A1 ASN 113 HB3 0.03 0.03 -0.04 -0.04 2.79 2.78 2ok8A1 ASN 113 HD21 -0.00 0.04 -0.08 -0.04 7.03 6.94 2ok8A1 ASN 113 HD22 0.02 -0.01 -0.11 -0.04 7.74 7.59 2ok8A1 LEU 114 H 0.12 0.53 0.30 -0.55 8.37 8.78 2ok8A1 LEU 114 HA 0.06 0.21 0.80 -0.75 4.35 4.67 2ok8A1 LEU 114 HB2 -0.33 -0.04 0.05 -0.04 1.64 1.28 2ok8A1 LEU 114 HB3 -0.11 0.12 -0.08 -0.04 1.64 1.53 2ok8A1 LEU 114 HG -0.21 -0.00 -0.03 -0.04 1.64 1.35 2ok8A1 LEU 114 HD13 -0.35 -0.01 -0.34 -0.04 0.93 0.19 2ok8A1 LEU 114 HD23 -0.84 0.01 -0.15 -0.04 0.89 -0.12 2ok8A1 SER 115 H -0.10 0.12 0.18 -0.55 8.46 8.11 2ok8A1 SER 115 HA -0.21 0.53 1.09 -0.75 4.49 5.14 2ok8A1 SER 115 HB2 -0.35 0.01 -0.04 -0.04 3.95 3.52 2ok8A1 SER 115 HB3 0.00 0.01 -0.19 -0.04 3.93 3.71 2ok8A1 VAL 116 H -0.28 0.49 0.32 -0.55 8.24 8.22 2ok8A1 VAL 116 HA -0.05 0.22 0.76 -0.75 4.13 4.31 2ok8A1 VAL 116 HB -0.18 -0.02 -0.36 -0.04 2.12 1.52 2ok8A1 VAL 116 HG13 -0.22 -0.01 -0.23 -0.04 0.97 0.47 2ok8A1 VAL 116 HG23 -0.06 0.02 -0.20 -0.04 0.95 0.67 2ok8A1 ALA 117 H 0.06 0.30 0.18 -0.55 8.40 8.40 2ok8A1 ALA 117 HA 0.04 0.28 1.00 -0.75 4.34 4.90 2ok8A1 ALA 117 HB3 0.19 -0.01 0.03 -0.04 1.41 1.57 2ok8A1 ILE 118 H -0.01 0.83 0.25 -0.55 8.25 8.78 2ok8A1 ILE 118 HA 0.05 0.13 1.06 -0.75 4.18 4.67 2ok8A1 ILE 118 HB -0.11 0.03 0.05 -0.04 1.89 1.82 2ok8A1 ILE 118 HG12 -0.83 0.04 -0.26 -0.04 1.49 0.40 2ok8A1 ILE 118 HG13 -0.27 -0.07 -0.45 -0.04 1.21 0.38 2ok8A1 ILE 118 HG23 -0.10 0.02 -0.19 -0.04 0.93 0.62 2ok8A1 ILE 118 HD13 -0.57 0.01 -0.16 -0.04 0.88 0.13 2ok8A1 LYS 119 H 0.13 0.13 0.18 -0.55 8.42 8.30 2ok8A1 LYS 119 HA -0.04 0.16 0.83 -0.75 4.32 4.51 2ok8A1 LYS 119 HB2 0.01 -0.07 0.11 -0.04 1.87 1.88 2ok8A1 LYS 119 HB3 0.04 -0.04 0.15 -0.04 1.79 1.91 2ok8A1 LYS 119 HG2 -0.45 0.04 -0.41 -0.04 1.46 0.60 2ok8A1 LYS 119 HG3 -0.15 0.06 0.02 -0.04 1.46 1.35 2ok8A1 LYS 119 HD2 -0.06 -0.09 0.03 -0.04 1.69 1.53 2ok8A1 LYS 119 HD3 -0.36 -0.04 -0.01 -0.04 1.68 1.23 2ok8A1 LYS 119 HE2 -0.25 0.10 -0.02 -0.04 2.99 2.78 2ok8A1 LYS 119 HE3 -0.12 -0.02 0.01 -0.04 2.99 2.82 2ok8A1 ILE 120 H -0.04 0.86 0.41 -0.55 8.25 8.92 2ok8A1 ILE 120 HA 0.17 0.02 0.85 -0.75 4.18 4.47 2ok8A1 ILE 120 HB 0.09 -0.02 0.21 -0.04 1.89 2.13 2ok8A1 ILE 120 HG12 0.07 0.03 -0.09 -0.04 1.49 1.45 2ok8A1 ILE 120 HG13 0.25 0.03 -0.07 -0.04 1.21 1.38 2ok8A1 ILE 120 HG23 0.29 0.02 -0.14 -0.04 0.93 1.06 2ok8A1 ILE 120 HD13 0.15 0.04 -0.15 -0.04 0.88 0.88 2ok8A1 HIS 121 H 0.37 0.09 0.18 -0.55 8.41 8.50 2ok8A1 HIS 121 HA 0.10 0.13 0.79 -0.75 4.63 4.89 2ok8A1 HIS 121 HB2 0.17 -0.14 0.19 -0.04 3.26 3.43 2ok8A1 HIS 121 HB3 0.13 0.08 0.07 -0.04 3.20 3.44 2ok8A1 HIS 121 HD2 0.15 0.14 0.08 -0.04 6.97 7.30 2ok8A1 HIS 121 HE1 0.14 -0.05 0.04 -0.04 7.75 7.84 2ok8A1 LYS 122 H 0.11 0.21 0.28 -0.55 8.42 8.46 2ok8A1 LYS 122 HA -0.07 0.34 1.01 -0.75 4.32 4.85 2ok8A1 LYS 122 HB2 -0.08 -0.07 0.04 -0.04 1.87 1.72 2ok8A1 LYS 122 HB3 -0.28 0.12 0.09 -0.04 1.79 1.68 2ok8A1 LYS 122 HG2 -0.61 0.08 -0.19 -0.04 1.46 0.70 2ok8A1 LYS 122 HG3 0.01 -0.15 -0.62 -0.04 1.46 0.66 2ok8A1 LYS 122 HD2 -0.06 -0.03 -0.02 -0.04 1.69 1.53 2ok8A1 LYS 122 HD3 -0.08 0.07 -0.07 -0.04 1.68 1.56 2ok8A1 LYS 122 HE2 0.16 -0.04 -0.13 -0.04 2.99 2.94 2ok8A1 LYS 122 HE3 0.00 -0.03 0.04 -0.04 2.99 2.97 2ok8A1 TYR 123 H -0.28 0.73 0.38 -0.55 8.29 8.57 2ok8A1 TYR 123 HA -0.02 0.07 0.57 -0.75 4.56 4.43 2ok8A1 TYR 123 HB2 0.01 -0.12 0.14 -0.04 3.06 3.05 2ok8A1 TYR 123 HB3 0.02 0.07 -0.18 -0.04 2.98 2.84 2ok8A1 TYR 123 HD2 0.02 -0.12 -0.29 -0.04 7.15 6.72 2ok8A1 TYR 123 HE2 0.05 0.09 -0.34 -0.04 6.85 6.62 2ok8A1 GLU 124 H 0.18 0.11 0.11 -0.55 8.60 8.45 2ok8A1 GLU 124 HA -0.11 0.23 0.99 -0.75 4.29 4.64 2ok8A1 GLU 124 HB2 0.03 -0.00 0.09 -0.04 2.09 2.17 2ok8A1 GLU 124 HB3 -0.01 0.05 0.07 -0.04 1.99 2.07 2ok8A1 GLU 124 HG2 -0.04 0.08 -0.21 -0.04 2.34 2.13 2ok8A1 GLU 124 HG3 -0.03 -0.10 -0.40 -0.04 2.34 1.77 2ok8A1 THR 133 HA -0.08 -0.03 0.28 -0.75 4.39 3.81 2ok8A1 THR 133 HB -0.19 0.01 2.25 -0.04 4.32 6.34 2ok8A1 THR 133 HG23 -0.10 -0.01 0.17 -0.04 1.22 1.25 2ok8A1 ASN 134 H -0.40 0.37 -0.19 -0.55 8.53 7.76 2ok8A1 ASN 134 HA -0.17 0.17 0.89 -0.75 4.76 4.90 2ok8A1 ASN 134 HB2 -0.73 0.06 -0.27 -0.04 2.88 1.91 2ok8A1 ASN 134 HB3 -1.48 -0.07 -0.20 -0.04 2.79 1.01 2ok8A1 ASN 134 HD21 -0.05 -0.00 -0.06 -0.04 7.03 6.88 2ok8A1 ASN 134 HD22 -0.18 -0.00 -0.10 -0.04 7.74 7.42 2ok8A1 TYR 135 H 0.17 0.18 0.16 -0.55 8.29 8.26 2ok8A1 TYR 135 HA 0.13 0.27 1.03 -0.75 4.56 5.23 2ok8A1 TYR 135 HB2 0.11 -0.01 0.09 -0.04 3.06 3.22 2ok8A1 TYR 135 HB3 0.13 -0.10 0.04 -0.04 2.98 3.01 2ok8A1 TYR 135 HD2 0.05 -0.02 -0.10 -0.04 7.15 7.04 2ok8A1 TYR 135 HE2 0.02 0.02 -0.10 -0.04 6.85 6.75 2ok8A1 GLY 136 H 0.36 0.46 0.21 -0.55 8.43 8.91 2ok8A1 GLY 136 HA2 0.28 0.12 0.55 -0.51 4.01 4.45 2ok8A1 GLY 136 HA3 0.24 -0.06 0.37 -0.51 4.01 4.05 2ok8A1 TYR 137 H 0.29 0.15 0.17 -0.55 8.29 8.35 2ok8A1 TYR 137 HA 0.20 0.18 0.37 -0.75 4.56 4.55 2ok8A1 TYR 137 HB2 0.10 0.05 0.15 -0.04 3.06 3.32 2ok8A1 TYR 137 HB3 0.10 -0.06 0.19 -0.04 2.98 3.16 2ok8A1 TYR 137 HD2 0.10 0.00 0.03 -0.04 7.15 7.24 2ok8A1 TYR 137 HE2 -0.02 0.05 0.01 -0.04 6.85 6.86 2ok8A1 CYS 138 H 0.19 0.07 0.03 -0.55 8.50 8.25 2ok8A1 CYS 138 HA -0.06 0.16 0.60 -0.75 4.58 4.52 2ok8A1 CYS 138 HB2 0.13 0.07 0.14 -0.04 2.97 3.27 2ok8A1 CYS 138 HB3 0.22 -0.04 0.08 -0.04 2.97 3.19 2ok8A1 SER 139 H 0.20 -0.02 -0.17 -0.55 8.46 7.93 2ok8A1 SER 139 HA 0.14 0.08 0.43 -0.75 4.49 4.39 2ok8A1 SER 139 HB2 0.31 0.05 0.18 -0.04 3.95 4.44 2ok8A1 SER 139 HB3 0.30 0.07 0.14 -0.04 3.93 4.40 2ok8A1 GLY 140 H 0.20 0.65 -0.23 -0.55 8.43 8.50 2ok8A1 GLY 140 HA2 -0.25 0.04 0.43 -0.51 4.01 3.71 2ok8A1 GLY 140 HA3 0.11 0.12 0.25 -0.51 4.01 3.98 2ok8A1 PHE 141 H 0.09 0.26 -0.31 -0.55 8.34 7.84 2ok8A1 PHE 141 HA -0.37 0.07 0.49 -0.75 4.62 4.06 2ok8A1 PHE 141 HB2 -0.96 0.03 0.14 -0.04 3.15 2.32 2ok8A1 PHE 141 HB3 -0.35 0.13 0.23 -0.04 3.06 3.03 2ok8A1 PHE 141 HD2 -0.70 0.04 -0.01 -0.04 7.28 6.58 2ok8A1 PHE 141 HE2 -0.19 0.05 -0.02 -0.04 7.38 7.17 2ok8A1 PHE 141 HZ -0.09 0.16 0.05 -0.04 7.32 7.40 2ok8A1 ILE 142 H -0.09 0.53 -0.05 -0.55 8.25 8.10 2ok8A1 ILE 142 HA -0.49 0.04 0.42 -0.75 4.18 3.39 2ok8A1 ILE 142 HB -0.07 0.03 0.05 -0.04 1.89 1.85 2ok8A1 ILE 142 HG12 -0.01 0.20 -0.02 -0.04 1.49 1.61 2ok8A1 ILE 142 HG13 -0.17 -0.09 -0.12 -0.04 1.21 0.78 2ok8A1 ILE 142 HG23 -0.16 -0.01 -0.16 -0.04 0.93 0.56 2ok8A1 ILE 142 HD13 -0.22 -0.01 -0.12 -0.04 0.88 0.49 2ok8A1 LYS 143 H -0.15 0.55 -0.12 -0.55 8.42 8.15 2ok8A1 LYS 143 HA -0.17 -0.03 0.39 -0.75 4.32 3.76 2ok8A1 LYS 143 HB2 -0.26 0.13 0.16 -0.04 1.87 1.86 2ok8A1 LYS 143 HB3 -0.33 0.09 0.02 -0.04 1.79 1.53 2ok8A1 LYS 143 HG2 0.01 -0.09 0.00 -0.04 1.46 1.35 2ok8A1 LYS 143 HG3 -0.48 -0.03 -0.04 -0.04 1.46 0.87 2ok8A1 LYS 143 HD2 -0.18 0.04 -0.13 -0.04 1.69 1.37 2ok8A1 LYS 143 HD3 -0.09 0.02 0.00 -0.04 1.68 1.58 2ok8A1 LYS 143 HE2 0.10 -0.05 -0.03 -0.04 2.99 2.96 2ok8A1 LYS 143 HE3 0.03 0.02 -0.05 -0.04 2.99 2.95 2ok8A1 ASN 144 H -0.25 0.32 -0.31 -0.55 8.53 7.75 2ok8A1 ASN 144 HA -0.18 0.11 0.51 -0.75 4.76 4.45 2ok8A1 ASN 144 HB2 -0.12 0.05 0.08 -0.04 2.88 2.85 2ok8A1 ASN 144 HB3 -0.09 -0.06 0.12 -0.04 2.79 2.71 2ok8A1 ASN 144 HD21 -0.08 -0.08 0.01 -0.04 7.03 6.84 2ok8A1 ASN 144 HD22 -0.00 0.01 0.02 -0.04 7.74 7.72 2ok8A1 LEU 145 H -0.40 0.18 -0.49 -0.55 8.37 7.11 2ok8A1 LEU 145 HA -0.34 -0.02 0.46 -0.75 4.35 3.69 2ok8A1 LEU 145 HB2 -0.50 0.15 0.15 -0.04 1.64 1.40 2ok8A1 LEU 145 HB3 -0.36 -0.06 -0.17 -0.04 1.64 1.02 2ok8A1 LEU 145 HG -1.36 0.06 -0.05 -0.04 1.64 0.25 2ok8A1 LEU 145 HD13 -0.37 -0.04 -0.10 -0.04 0.93 0.37 2ok8A1 LEU 145 HD23 -0.35 0.01 0.01 -0.04 0.89 0.53 2ok8A1 LYS 146 H -0.18 0.11 0.20 -0.55 8.42 8.00 2ok8A1 LYS 146 HA -0.16 0.18 0.87 -0.75 4.32 4.45 2ok8A1 LYS 146 HB2 -0.09 -0.03 0.05 -0.04 1.87 1.75 2ok8A1 LYS 146 HB3 -0.09 0.01 0.10 -0.04 1.79 1.77 2ok8A1 LYS 146 HG2 -0.12 0.10 -0.18 -0.04 1.46 1.22 2ok8A1 LYS 146 HG3 -0.10 0.08 -0.05 -0.04 1.46 1.35 2ok8A1 LYS 146 HD2 -0.06 -0.02 0.00 -0.04 1.69 1.57 2ok8A1 LYS 146 HD3 -0.07 -0.03 0.02 -0.04 1.68 1.56 2ok8A1 LYS 146 HE2 -0.05 -0.05 0.00 -0.04 2.99 2.85 2ok8A1 LYS 146 HE3 -0.07 0.05 -0.02 -0.04 2.99 2.90 2ok8A1 ILE 147 H -0.10 0.12 0.10 -0.55 8.25 7.82 2ok8A1 ILE 147 HA -0.09 0.01 0.35 -0.75 4.18 3.69 2ok8A1 ILE 147 HB -0.06 -0.01 0.08 -0.04 1.89 1.85 2ok8A1 ILE 147 HG12 -0.05 0.06 -0.06 -0.04 1.49 1.40 2ok8A1 ILE 147 HG13 -0.08 -0.06 -0.17 -0.04 1.21 0.87 2ok8A1 ILE 147 HG23 -0.04 0.02 -0.13 -0.04 0.93 0.73 2ok8A1 ILE 147 HD13 -0.07 0.01 0.06 -0.04 0.88 0.84 2ok8A1 ASN 148 H -0.06 0.88 0.32 -0.55 8.53 9.12 2ok8A1 ASN 148 HA -0.05 0.03 0.38 -0.75 4.76 4.36 2ok8A1 ASN 148 HB2 -0.04 0.25 0.18 -0.04 2.88 3.23 2ok8A1 ASN 148 HB3 -0.03 -0.06 0.16 -0.04 2.79 2.82 2ok8A1 ASN 148 HD21 -0.03 -0.03 -0.06 -0.04 7.03 6.86 2ok8A1 ASN 148 HD22 -0.03 0.05 -0.10 -0.04 7.74 7.61 2ok8A1 ASP 149 H -0.08 0.37 -0.43 -0.55 8.40 7.71 2ok8A1 ASP 149 HA -0.03 0.06 0.65 -0.75 4.63 4.55 2ok8A1 ASP 149 HB2 -0.12 0.19 0.17 -0.04 2.71 2.91 2ok8A1 ASP 149 HB3 -0.07 0.13 0.06 -0.04 2.70 2.78 2ok8A1 ASP 150 H 0.01 0.10 0.21 -0.55 8.40 8.17 2ok8A1 ASP 150 HA -0.08 0.31 0.83 -0.75 4.63 4.94 2ok8A1 ASP 150 HB2 0.11 -0.03 0.15 -0.04 2.71 2.90 2ok8A1 ASP 150 HB3 -0.03 -0.00 0.01 -0.04 2.70 2.63 2ok8A1 ILE 151 H -0.17 0.61 0.20 -0.55 8.25 8.34 2ok8A1 ILE 151 HA 0.18 0.12 0.54 -0.75 4.18 4.26 2ok8A1 ILE 151 HB -0.04 0.06 -0.28 -0.04 1.89 1.60 2ok8A1 ILE 151 HG12 0.01 0.02 -0.19 -0.04 1.49 1.30 2ok8A1 ILE 151 HG13 0.22 0.01 0.02 -0.04 1.21 1.41 2ok8A1 ILE 151 HG23 -0.12 -0.01 -0.35 -0.04 0.93 0.41 2ok8A1 ILE 151 HD13 -0.06 -0.01 -0.16 -0.04 0.88 0.61 2ok8A1 TYR 152 H 0.21 0.18 0.09 -0.55 8.29 8.22 2ok8A1 TYR 152 HA -0.10 0.45 1.05 -0.75 4.56 5.21 2ok8A1 TYR 152 HB2 -0.17 -0.03 0.04 -0.04 3.06 2.87 2ok8A1 TYR 152 HB3 -0.36 0.02 -0.18 -0.04 2.98 2.43 2ok8A1 TYR 152 HD2 -0.04 0.02 -0.32 -0.04 7.15 6.77 2ok8A1 TYR 152 HE2 0.13 0.06 -0.14 -0.04 6.85 6.86 2ok8A1 LEU 153 H -0.08 0.61 0.26 -0.55 8.37 8.62 2ok8A1 LEU 153 HA -0.02 0.41 1.05 -0.75 4.35 5.03 2ok8A1 LEU 153 HB2 -0.14 -0.03 0.00 -0.04 1.64 1.43 2ok8A1 LEU 153 HB3 -0.23 0.05 0.01 -0.04 1.64 1.43 2ok8A1 LEU 153 HG -0.22 0.05 -0.23 -0.04 1.64 1.19 2ok8A1 LEU 153 HD13 -0.68 -0.02 -0.17 -0.04 0.93 0.02 2ok8A1 LEU 153 HD23 -0.14 -0.01 -0.41 -0.04 0.89 0.28 2ok8A1 THR 154 H 0.13 0.40 0.28 -0.55 8.28 8.53 2ok8A1 THR 154 HA 0.23 0.19 0.60 -0.75 4.39 4.66 2ok8A1 THR 154 HB 0.21 0.14 -0.09 -0.04 4.32 4.53 2ok8A1 THR 154 HG23 0.07 0.03 -0.55 -0.04 1.22 0.73 2ok8A1 GLY 155 H -0.01 0.75 0.31 -0.55 8.43 8.94 2ok8A1 GLY 155 HA2 -1.07 0.05 0.19 -0.51 4.01 2.68 2ok8A1 GLY 155 HA3 -0.10 0.15 0.96 -0.51 4.01 4.51 2ok8A1 ALA 156 H -0.37 0.58 0.33 -0.55 8.40 8.40 2ok8A1 ALA 156 HA -0.17 0.16 0.47 -0.75 4.34 4.05 2ok8A1 ALA 156 HB3 -0.46 0.05 0.10 -0.04 1.41 1.06 2ok8A1 HIS 157 H -0.07 0.53 0.35 -0.55 8.41 8.67 2ok8A1 HIS 157 HA -0.15 0.16 0.90 -0.75 4.63 4.78 2ok8A1 HIS 157 HB2 -0.03 -0.05 -0.03 -0.04 3.26 3.11 2ok8A1 HIS 157 HB3 -0.05 -0.01 0.09 -0.04 3.20 3.20 2ok8A1 HIS 157 HD2 0.03 -0.03 -0.46 -0.04 6.97 6.46 2ok8A1 HIS 157 HE1 0.01 0.02 -0.00 -0.04 7.75 7.74 2ok8A1 GLY 158 H -0.19 0.13 0.13 -0.55 8.43 7.95 2ok8A1 GLY 158 HA2 -0.05 0.04 0.37 -0.51 4.01 3.86 2ok8A1 GLY 158 HA3 0.08 0.10 0.39 -0.51 4.01 4.08 2ok8A1 TYR 159 H 0.27 0.14 0.16 -0.55 8.29 8.31 2ok8A1 TYR 159 HA 0.21 0.22 0.77 -0.75 4.56 5.01 2ok8A1 TYR 159 HB2 0.17 0.02 0.08 -0.04 3.06 3.29 2ok8A1 TYR 159 HB3 0.14 0.06 0.17 -0.04 2.98 3.31 2ok8A1 TYR 159 HD2 0.12 0.02 -0.01 -0.04 7.15 7.24 2ok8A1 TYR 159 HE2 0.08 0.01 -0.02 -0.04 6.85 6.87 2ok8A1 PHE 160 H 0.37 0.09 -0.09 -0.55 8.34 8.16 2ok8A1 PHE 160 HA 0.27 0.13 0.46 -0.75 4.62 4.73 2ok8A1 PHE 160 HB2 0.17 -0.12 0.10 -0.04 3.15 3.26 2ok8A1 PHE 160 HB3 0.12 0.23 0.24 -0.04 3.06 3.61 2ok8A1 PHE 160 HD2 0.09 0.01 -0.10 -0.04 7.28 7.23 2ok8A1 PHE 160 HE2 -0.07 0.03 -0.24 -0.04 7.38 7.06 2ok8A1 PHE 160 HZ 0.42 -0.04 -0.29 -0.04 7.32 7.37 2ok8A1 ASN 161 H 0.14 0.44 -0.06 -0.55 8.53 8.50 2ok8A1 ASN 161 HA 0.09 0.26 0.74 -0.75 4.76 5.10 2ok8A1 ASN 161 HB2 0.01 0.04 -0.08 -0.04 2.88 2.80 2ok8A1 ASN 161 HB3 -0.07 -0.01 0.04 -0.04 2.79 2.70 2ok8A1 ASN 161 HD21 0.11 0.05 -0.09 -0.04 7.03 7.05 2ok8A1 ASN 161 HD22 0.12 0.08 -0.09 -0.04 7.74 7.81 2ok8A1 LEU 162 H -0.34 0.10 0.08 -0.55 8.37 7.66 2ok8A1 LEU 162 HA -0.42 0.15 0.59 -0.75 4.35 3.91 2ok8A1 LEU 162 HB2 -0.34 -0.07 0.05 -0.04 1.64 1.24 2ok8A1 LEU 162 HB3 -0.30 0.10 0.06 -0.04 1.64 1.47 2ok8A1 LEU 162 HG -1.75 -0.05 -0.02 -0.04 1.64 -0.22 2ok8A1 LEU 162 HD13 -0.50 -0.02 0.03 -0.04 0.93 0.40 2ok8A1 LEU 162 HD23 -1.38 0.02 -0.05 -0.04 0.89 -0.56 2ok8A1 PRO 163 HA -0.01 0.12 0.72 -0.51 4.44 4.77 2ok8A1 PRO 163 HB2 0.03 -0.16 0.03 -0.04 2.28 2.14 2ok8A1 PRO 163 HB3 0.04 0.13 0.14 -0.04 2.02 2.29 2ok8A1 PRO 163 HG2 0.15 -0.05 0.09 -0.04 2.03 2.18 2ok8A1 PRO 163 HG3 0.13 0.15 0.09 -0.04 2.03 2.36 2ok8A1 PRO 163 HD2 0.17 0.06 0.22 -0.04 3.68 4.08 2ok8A1 PRO 163 HD3 0.18 0.24 0.14 -0.04 3.65 4.17 2ok8A1 ASN 164 H -0.01 0.20 0.15 -0.55 8.53 8.32 2ok8A1 ASN 164 HA -0.03 0.13 0.47 -0.75 4.76 4.57 2ok8A1 ASN 164 HB2 -0.01 0.03 0.02 -0.04 2.88 2.88 2ok8A1 ASN 164 HB3 -0.02 0.04 0.11 -0.04 2.79 2.88 2ok8A1 ASN 164 HD21 -0.00 0.03 0.06 -0.04 7.03 7.07 2ok8A1 ASN 164 HD22 -0.01 0.02 0.05 -0.04 7.74 7.76 2ok8A1 ASP 165 H 0.00 0.06 -0.32 -0.55 8.40 7.60 2ok8A1 ASP 165 HA 0.00 0.11 0.41 -0.75 4.63 4.40 2ok8A1 ASP 165 HB2 0.01 0.06 -0.08 -0.04 2.71 2.66 2ok8A1 ASP 165 HB3 -0.00 0.03 0.06 -0.04 2.70 2.75 2ok8A1 ALA 166 H 0.01 0.44 -0.54 -0.55 8.40 7.76 2ok8A1 ALA 166 HA 0.08 -0.01 0.02 -0.75 4.34 3.67 2ok8A1 ALA 166 HB3 0.08 0.03 0.06 -0.04 1.41 1.55 2ok8A1 ILE 167 H 0.00 0.14 -0.00 -0.55 8.25 7.85 2ok8A1 ILE 167 HA 0.21 0.07 0.47 -0.75 4.18 4.18 2ok8A1 ILE 167 HB 0.00 -0.01 0.09 -0.04 1.89 1.93 2ok8A1 ILE 167 HG12 -0.14 0.06 0.08 -0.04 1.49 1.45 2ok8A1 ILE 167 HG13 -0.10 -0.11 0.04 -0.04 1.21 1.00 2ok8A1 ILE 167 HG23 0.04 0.02 -0.06 -0.04 0.93 0.89 2ok8A1 ILE 167 HD13 -0.08 0.01 -0.03 -0.04 0.88 0.74 2ok8A1 GLN 168 H 0.02 0.12 -0.09 -0.55 8.47 7.98 2ok8A1 GLN 168 HA 0.01 0.14 0.60 -0.75 4.36 4.36 2ok8A1 GLN 168 HB2 0.01 0.03 0.13 -0.04 2.15 2.28 2ok8A1 GLN 168 HB3 0.00 0.00 0.01 -0.04 2.02 2.00 2ok8A1 GLN 168 HG2 0.00 -0.01 0.02 -0.04 2.40 2.37 2ok8A1 GLN 168 HG3 0.01 0.03 -0.00 -0.04 2.39 2.38 2ok8A1 GLN 168 HE21 -0.00 0.02 0.02 -0.04 6.97 6.97 2ok8A1 GLN 168 HE22 0.00 -0.02 0.01 -0.04 7.69 7.64 2ok8A1 LYS 169 H 0.02 0.67 -0.00 -0.55 8.42 8.55 2ok8A1 LYS 169 HA -0.01 0.09 0.49 -0.75 4.32 4.14 2ok8A1 LYS 169 HB2 -0.00 -0.05 -0.16 -0.04 1.87 1.61 2ok8A1 LYS 169 HB3 -0.02 0.02 0.00 -0.04 1.79 1.75 2ok8A1 LYS 169 HG2 -0.00 -0.03 -0.01 -0.04 1.46 1.38 2ok8A1 LYS 169 HG3 -0.00 -0.15 -0.00 -0.04 1.46 1.26 2ok8A1 LYS 169 HD2 -0.02 -0.02 -0.01 -0.04 1.69 1.61 2ok8A1 LYS 169 HD3 -0.02 0.07 0.02 -0.04 1.68 1.71 2ok8A1 LYS 169 HE2 -0.01 -0.06 -0.01 -0.04 2.99 2.87 2ok8A1 LYS 169 HE3 -0.01 -0.01 -0.01 -0.04 2.99 2.92 2ok8A1 ASN 170 H 0.03 0.14 -0.63 -0.55 8.53 7.54 2ok8A1 ASN 170 HA -0.03 -0.04 0.32 -0.75 4.76 4.26 2ok8A1 ASN 170 HB2 -0.09 0.14 -0.04 -0.04 2.88 2.85 2ok8A1 ASN 170 HB3 -0.21 -0.04 -0.02 -0.04 2.79 2.48 2ok8A1 ASN 170 HD21 -0.05 0.04 -0.00 -0.04 7.03 6.98 2ok8A1 ASN 170 HD22 -0.05 -0.01 -0.13 -0.04 7.74 7.51 2ok8A1 THR 171 H 0.10 0.25 -0.05 -0.55 8.28 8.02 2ok8A1 THR 171 HA -0.16 0.11 0.27 -0.75 4.39 3.86 2ok8A1 THR 171 HB -0.31 -0.09 0.04 -0.04 4.32 3.92 2ok8A1 THR 171 HG23 -0.50 0.07 0.01 -0.04 1.22 0.76 2ok8A1 ASN 172 H -0.22 0.19 0.24 -0.55 8.53 8.19 2ok8A1 ASN 172 HA -0.09 0.13 0.90 -0.75 4.76 4.95 2ok8A1 ASN 172 HB2 -0.08 0.02 0.07 -0.04 2.88 2.85 2ok8A1 ASN 172 HB3 -0.02 0.04 0.11 -0.04 2.79 2.88 2ok8A1 ASN 172 HD21 -0.02 -0.01 0.07 -0.04 7.03 7.04 2ok8A1 ASN 172 HD22 0.02 0.15 0.05 -0.04 7.74 7.92 2ok8A1 PHE 173 H -0.01 0.72 0.40 -0.55 8.34 8.89 2ok8A1 PHE 173 HA 0.01 0.27 1.08 -0.75 4.62 5.23 2ok8A1 PHE 173 HB2 -0.63 -0.06 0.02 -0.04 3.15 2.44 2ok8A1 PHE 173 HB3 -0.77 -0.01 -0.12 -0.04 3.06 2.13 2ok8A1 PHE 173 HD2 0.11 0.07 -0.12 -0.04 7.28 7.30 2ok8A1 PHE 173 HE2 -0.04 -0.02 -0.07 -0.04 7.38 7.21 2ok8A1 PHE 173 HZ -0.13 -0.11 -0.02 -0.04 7.32 7.02 2ok8A1 ILE 174 H 0.21 0.67 0.27 -0.55 8.25 8.86 2ok8A1 ILE 174 HA 0.01 0.26 0.92 -0.75 4.18 4.63 2ok8A1 ILE 174 HB 0.21 -0.06 0.14 -0.04 1.89 2.14 2ok8A1 ILE 174 HG12 0.13 0.01 -0.01 -0.04 1.49 1.57 2ok8A1 ILE 174 HG13 0.09 -0.02 -0.27 -0.04 1.21 0.96 2ok8A1 ILE 174 HG23 0.44 -0.02 -0.15 -0.04 0.93 1.16 2ok8A1 ILE 174 HD13 -0.22 -0.02 -0.10 -0.04 0.88 0.50 2ok8A1 PHE 175 H -0.03 0.77 0.29 -0.55 8.34 8.81 2ok8A1 PHE 175 HA -0.09 0.17 1.04 -0.75 4.62 4.98 2ok8A1 PHE 175 HB2 -0.42 -0.05 0.11 -0.04 3.15 2.75 2ok8A1 PHE 175 HB3 -1.72 -0.03 -0.08 -0.04 3.06 1.19 2ok8A1 PHE 175 HD2 -0.17 0.04 -0.14 -0.04 7.28 6.97 2ok8A1 PHE 175 HE2 -0.46 0.03 -0.15 -0.04 7.38 6.76 2ok8A1 PHE 175 HZ -0.85 0.01 -0.15 -0.04 7.32 6.29 2ok8A1 ILE 176 H 0.35 0.96 0.35 -0.55 8.25 9.37 2ok8A1 ILE 176 HA 0.28 0.23 1.14 -0.75 4.18 5.07 2ok8A1 ILE 176 HB 0.22 -0.00 0.21 -0.04 1.89 2.27 2ok8A1 ILE 176 HG12 0.19 -0.01 -0.05 -0.04 1.49 1.58 2ok8A1 ILE 176 HG13 0.32 -0.00 -0.30 -0.04 1.21 1.19 2ok8A1 ILE 176 HG23 0.09 -0.03 -0.08 -0.04 0.93 0.87 2ok8A1 ILE 176 HD13 0.11 -0.00 -0.10 -0.04 0.88 0.84 2ok8A1 ALA 177 H 0.29 0.76 0.43 -0.55 8.40 9.34 2ok8A1 ALA 177 HA 0.28 0.37 0.93 -0.75 4.34 5.17 2ok8A1 ALA 177 HB3 0.33 -0.02 -0.28 -0.04 1.41 1.39 2ok8A1 THR 178 H 0.18 0.42 0.38 -0.55 8.28 8.71 2ok8A1 THR 178 HA 0.24 0.34 0.78 -0.75 4.39 4.99 2ok8A1 THR 178 HB 0.09 0.02 0.15 -0.04 4.32 4.54 2ok8A1 THR 178 HG23 0.09 0.01 -0.10 -0.04 1.22 1.18 2ok8A1 GLY 179 H 0.15 0.54 0.29 -0.55 8.43 8.86 2ok8A1 GLY 179 HA2 0.14 0.08 0.43 -0.51 4.01 4.15 2ok8A1 GLY 179 HA3 0.14 -0.05 0.42 -0.51 4.01 4.01 2ok8A1 THR 180 H 0.19 0.13 0.27 -0.55 8.28 8.33 2ok8A1 THR 180 HA 0.18 0.11 0.53 -0.75 4.39 4.46 2ok8A1 THR 180 HB 0.18 0.09 0.21 -0.04 4.32 4.76 2ok8A1 THR 180 HG23 0.13 -0.03 0.01 -0.04 1.22 1.29 2ok8A1 GLY 181 H 0.18 0.52 -0.16 -0.55 8.43 8.42 2ok8A1 GLY 181 HA2 0.06 0.03 0.33 -0.51 4.01 3.92 2ok8A1 GLY 181 HA3 0.07 0.15 0.23 -0.51 4.01 3.94 2ok8A1 ILE 182 H 0.06 0.18 -0.70 -0.55 8.25 7.25 2ok8A1 ILE 182 HA -0.07 0.15 0.49 -0.75 4.18 4.00 2ok8A1 ILE 182 HB -0.88 0.00 -0.07 -0.04 1.89 0.90 2ok8A1 ILE 182 HG12 -0.25 0.10 -0.12 -0.04 1.49 1.18 2ok8A1 ILE 182 HG13 -0.10 -0.08 -0.07 -0.04 1.21 0.92 2ok8A1 ILE 182 HG23 0.17 0.02 -0.19 -0.04 0.93 0.89 2ok8A1 ILE 182 HD13 -0.40 0.01 -0.13 -0.04 0.88 0.31 2ok8A1 SER 183 H -0.02 0.45 -0.19 -0.55 8.46 8.15 2ok8A1 SER 183 HA -0.14 -0.02 0.12 -0.75 4.49 3.70 2ok8A1 SER 183 HB2 -0.04 0.06 0.05 -0.04 3.95 3.97 2ok8A1 SER 183 HB3 -0.05 0.02 -0.26 -0.04 3.93 3.60 2ok8A1 PRO 184 HA -0.41 0.14 0.46 -0.51 4.44 4.12 2ok8A1 PRO 184 HB2 -0.76 0.08 -0.05 -0.04 2.28 1.51 2ok8A1 PRO 184 HB3 -0.22 0.08 0.11 -0.04 2.02 1.94 2ok8A1 PRO 184 HG2 -0.91 0.14 -0.04 -0.04 2.03 1.18 2ok8A1 PRO 184 HG3 -0.32 0.02 0.03 -0.04 2.03 1.72 2ok8A1 PRO 184 HD2 -0.30 0.06 -0.34 -0.04 3.68 3.07 2ok8A1 PRO 184 HD3 -0.19 0.03 0.03 -0.04 3.65 3.47 2ok8A1 TYR 185 H -0.63 0.36 -0.48 -0.55 8.29 6.99 2ok8A1 TYR 185 HA -0.93 0.05 0.33 -0.75 4.56 3.25 2ok8A1 TYR 185 HB2 -0.29 0.13 0.02 -0.04 3.06 2.89 2ok8A1 TYR 185 HB3 -0.37 -0.02 -0.05 -0.04 2.98 2.50 2ok8A1 TYR 185 HD2 -0.74 -0.04 -0.15 -0.04 7.15 6.17 2ok8A1 TYR 185 HE2 -0.02 0.02 -0.29 -0.04 6.85 6.53 2ok8A1 ILE 186 H -0.24 0.41 -0.15 -0.55 8.25 7.72 2ok8A1 ILE 186 HA -0.14 0.02 0.43 -0.75 4.18 3.73 2ok8A1 ILE 186 HB -0.38 0.17 0.13 -0.04 1.89 1.77 2ok8A1 ILE 186 HG12 -0.19 0.16 -0.21 -0.04 1.49 1.20 2ok8A1 ILE 186 HG13 -0.59 -0.11 -0.12 -0.04 1.21 0.35 2ok8A1 ILE 186 HG23 -0.39 -0.02 -0.08 -0.04 0.93 0.40 2ok8A1 ILE 186 HD13 0.02 -0.01 -0.14 -0.04 0.88 0.71 2ok8A1 SER 187 H -0.26 0.40 -0.23 -0.55 8.46 7.82 2ok8A1 SER 187 HA -0.07 0.00 0.21 -0.75 4.49 3.87 2ok8A1 SER 187 HB2 0.03 0.01 -0.16 -0.04 3.95 3.78 2ok8A1 SER 187 HB3 -0.10 0.04 -0.24 -0.04 3.93 3.60 2ok8A1 PHE 188 H -0.23 0.49 -0.16 -0.55 8.34 7.89 2ok8A1 PHE 188 HA -0.27 -0.02 0.44 -0.75 4.62 4.02 2ok8A1 PHE 188 HB2 -0.45 0.09 0.12 -0.04 3.15 2.87 2ok8A1 PHE 188 HB3 -0.44 -0.00 -0.09 -0.04 3.06 2.49 2ok8A1 PHE 188 HD2 -0.86 -0.08 -0.15 -0.04 7.28 6.15 2ok8A1 PHE 188 HE2 -0.78 0.03 -0.40 -0.04 7.38 6.19 2ok8A1 PHE 188 HZ -0.52 0.27 -0.22 -0.04 7.32 6.81 2ok8A1 LEU 189 H -0.13 0.61 -0.25 -0.55 8.37 8.06 2ok8A1 LEU 189 HA -0.18 0.04 0.35 -0.75 4.35 3.81 2ok8A1 LEU 189 HB2 -0.52 0.07 0.10 -0.04 1.64 1.25 2ok8A1 LEU 189 HB3 -1.32 -0.02 -0.09 -0.04 1.64 0.16 2ok8A1 LEU 189 HG -0.07 0.27 0.01 -0.04 1.64 1.82 2ok8A1 LEU 189 HD13 -0.10 -0.04 -0.14 -0.04 0.93 0.61 2ok8A1 LEU 189 HD23 0.06 -0.01 -0.12 -0.04 0.89 0.77 2ok8A1 LYS 190 H -0.16 0.59 -0.10 -0.55 8.42 8.20 2ok8A1 LYS 190 HA 0.31 0.01 0.36 -0.75 4.32 4.24 2ok8A1 LYS 190 HB2 0.00 0.07 0.06 -0.04 1.87 1.96 2ok8A1 LYS 190 HB3 0.12 -0.08 -0.02 -0.04 1.79 1.76 2ok8A1 LYS 190 HG2 -0.29 -0.06 -0.00 -0.04 1.46 1.06 2ok8A1 LYS 190 HG3 -0.04 0.14 0.03 -0.04 1.46 1.54 2ok8A1 LYS 190 HD2 -0.10 0.14 -0.14 -0.04 1.69 1.56 2ok8A1 LYS 190 HD3 -0.02 -0.16 -0.01 -0.04 1.68 1.45 2ok8A1 LYS 190 HE2 -0.33 -0.05 -0.05 -0.04 2.99 2.52 2ok8A1 LYS 190 HE3 -0.29 -0.01 -0.05 -0.04 2.99 2.59 2ok8A1 LYS 191 H -0.03 0.48 -0.38 -0.55 8.42 7.93 2ok8A1 LYS 191 HA 0.01 0.02 0.64 -0.75 4.32 4.24 2ok8A1 LYS 191 HB2 -0.02 -0.04 0.15 -0.04 1.87 1.92 2ok8A1 LYS 191 HB3 -0.11 0.09 0.19 -0.04 1.79 1.92 2ok8A1 LYS 191 HG2 -0.07 0.04 -0.10 -0.04 1.46 1.29 2ok8A1 LYS 191 HG3 -0.03 -0.08 0.06 -0.04 1.46 1.36 2ok8A1 LYS 191 HD2 -0.09 -0.08 0.04 -0.04 1.69 1.51 2ok8A1 LYS 191 HD3 -0.17 0.04 -0.03 -0.04 1.68 1.48 2ok8A1 LYS 191 HE2 -0.07 0.02 -0.02 -0.04 2.99 2.88 2ok8A1 LYS 191 HE3 -0.05 -0.03 0.02 -0.04 2.99 2.89 2ok8A1 LEU 192 H -0.25 0.69 0.10 -0.55 8.37 8.37 2ok8A1 LEU 192 HA -0.38 -0.05 0.38 -0.75 4.35 3.55 2ok8A1 LEU 192 HB2 -0.71 0.05 0.08 -0.04 1.64 1.02 2ok8A1 LEU 192 HB3 -1.44 -0.01 -0.04 -0.04 1.64 0.11 2ok8A1 LEU 192 HG -0.48 0.03 0.08 -0.04 1.64 1.23 2ok8A1 LEU 192 HD13 -0.65 -0.01 -0.17 -0.04 0.93 0.06 2ok8A1 LEU 192 HD23 -0.66 -0.02 -0.06 -0.04 0.89 0.11 2ok8A1 PHE 193 H -0.05 0.57 -0.30 -0.55 8.34 8.02 2ok8A1 PHE 193 HA -0.06 0.12 0.80 -0.75 4.62 4.73 2ok8A1 PHE 193 HB2 0.08 0.05 -0.04 -0.04 3.15 3.19 2ok8A1 PHE 193 HB3 -0.16 -0.03 0.07 -0.04 3.06 2.90 2ok8A1 PHE 193 HD2 -0.61 0.01 -0.04 -0.04 7.28 6.60 2ok8A1 PHE 193 HE2 -0.13 0.03 -0.10 -0.04 7.38 7.14 2ok8A1 PHE 193 HZ 0.11 0.10 -0.15 -0.04 7.32 7.34 2ok8A1 ALA 194 H 0.08 0.39 -0.47 -0.55 8.40 7.85 2ok8A1 ALA 194 HA 0.14 0.06 0.40 -0.75 4.34 4.18 2ok8A1 ALA 194 HB3 0.11 -0.02 -0.07 -0.04 1.41 1.39 2ok8A1 TYR 195 H 0.37 0.43 0.10 -0.55 8.29 8.64 2ok8A1 TYR 195 HA 0.26 0.11 0.32 -0.75 4.56 4.50 2ok8A1 TYR 195 HB2 0.44 0.01 0.06 -0.04 3.06 3.53 2ok8A1 TYR 195 HB3 0.18 -0.08 0.05 -0.04 2.98 3.09 2ok8A1 TYR 195 HD2 0.05 0.03 -0.12 -0.04 7.15 7.07 2ok8A1 TYR 195 HE2 -0.57 -0.02 -0.05 -0.04 6.85 6.17 2ok8A1 ASP 196 H -0.76 0.22 0.09 -0.55 8.40 7.39 2ok8A1 ASP 196 HA -0.10 0.13 0.41 -0.75 4.63 4.31 2ok8A1 ASP 196 HB2 -0.02 0.18 -0.24 -0.04 2.71 2.59 2ok8A1 ASP 196 HB3 -0.10 0.01 0.09 -0.04 2.70 2.65 2ok8A1 ARG 203 HA 0.26 -0.03 0.23 -0.75 4.34 4.04 2ok8A1 ARG 203 HB2 0.06 -0.03 0.16 -0.04 1.90 2.05 2ok8A1 ARG 203 HB3 0.20 0.03 0.11 -0.04 1.80 2.09 2ok8A1 ARG 203 HG2 -0.33 0.03 0.06 -0.04 1.67 1.39 2ok8A1 ARG 203 HG3 -0.09 -0.06 0.10 -0.04 1.67 1.57 2ok8A1 ARG 203 HD2 -0.04 -0.06 0.07 -0.04 3.22 3.15 2ok8A1 ARG 203 HD3 -0.09 0.05 0.08 -0.04 3.22 3.22 2ok8A1 ASN 204 H 0.21 0.22 0.14 -0.55 8.53 8.56 2ok8A1 ASN 204 HA 0.11 0.08 0.37 -0.75 4.76 4.57 2ok8A1 ASN 204 HB2 0.14 0.12 0.08 -0.04 2.88 3.17 2ok8A1 ASN 204 HB3 0.09 -0.09 0.15 -0.04 2.79 2.89 2ok8A1 ASN 204 HD21 0.06 -0.04 -0.03 -0.04 7.03 6.98 2ok8A1 ASN 204 HD22 0.07 0.02 -0.10 -0.04 7.74 7.69 2ok8A1 SER 205 H 0.29 0.07 -0.66 -0.55 8.46 7.61 2ok8A1 SER 205 HA 0.13 -0.04 0.27 -0.75 4.49 4.10 2ok8A1 SER 205 HB2 0.29 -0.05 0.08 -0.04 3.95 4.23 2ok8A1 SER 205 HB3 0.39 0.03 0.04 -0.04 3.93 4.35 2ok8A1 ASN 206 H 0.07 0.12 0.25 -0.55 8.53 8.42 2ok8A1 ASN 206 HA 0.06 0.18 0.80 -0.75 4.76 5.04 2ok8A1 ASN 206 HB2 0.04 -0.02 -0.00 -0.04 2.88 2.86 2ok8A1 ASN 206 HB3 0.04 -0.02 0.14 -0.04 2.79 2.90 2ok8A1 ASN 206 HD21 0.03 -0.00 0.05 -0.04 7.03 7.07 2ok8A1 ASN 206 HD22 0.03 -0.06 0.04 -0.04 7.74 7.71 2ok8A1 TYR 207 H 0.09 0.05 0.06 -0.55 8.29 7.94 2ok8A1 TYR 207 HA -0.08 0.12 0.63 -0.75 4.56 4.48 2ok8A1 TYR 207 HB2 -0.22 -0.06 0.19 -0.04 3.06 2.93 2ok8A1 TYR 207 HB3 -0.44 0.11 0.15 -0.04 2.98 2.75 2ok8A1 TYR 207 HD2 -0.60 0.02 -0.10 -0.04 7.15 6.43 2ok8A1 TYR 207 HE2 -0.03 0.08 -0.18 -0.04 6.85 6.68 2ok8A1 THR 208 H -0.39 0.13 0.19 -0.55 8.28 7.66 2ok8A1 THR 208 HA -0.16 0.23 0.85 -0.75 4.39 4.56 2ok8A1 THR 208 HB -0.07 -0.03 0.16 -0.04 4.32 4.34 2ok8A1 THR 208 HG23 -0.00 0.02 -0.24 -0.04 1.22 0.96 2ok8A1 GLY 209 H -1.79 -0.06 -0.05 -0.55 8.43 5.98 2ok8A1 GLY 209 HA2 -0.23 0.16 0.54 -0.51 4.01 3.96 2ok8A1 GLY 209 HA3 -0.44 0.14 0.03 -0.51 4.01 3.22 2ok8A1 TYR 210 H 0.05 0.13 0.15 -0.55 8.29 8.06 2ok8A1 TYR 210 HA 0.03 0.35 1.01 -0.75 4.56 5.20 2ok8A1 TYR 210 HB2 -0.10 0.05 -0.02 -0.04 3.06 2.95 2ok8A1 TYR 210 HB3 -0.11 -0.10 0.09 -0.04 2.98 2.82 2ok8A1 TYR 210 HD2 -0.06 0.08 -0.09 -0.04 7.15 7.04 2ok8A1 TYR 210 HE2 -0.04 -0.03 -0.30 -0.04 6.85 6.44 2ok8A1 ILE 211 H -0.45 0.90 0.34 -0.55 8.25 8.49 2ok8A1 ILE 211 HA -0.21 0.24 1.09 -0.75 4.18 4.54 2ok8A1 ILE 211 HB -0.08 0.06 0.13 -0.04 1.89 1.95 2ok8A1 ILE 211 HG12 -0.04 -0.03 -0.14 -0.04 1.49 1.24 2ok8A1 ILE 211 HG13 0.23 0.02 -0.45 -0.04 1.21 0.97 2ok8A1 ILE 211 HG23 -0.46 -0.04 -0.25 -0.04 0.93 0.14 2ok8A1 ILE 211 HD13 0.07 -0.01 -0.16 -0.04 0.88 0.73 2ok8A1 THR 212 H -0.22 0.69 0.37 -0.55 8.28 8.57 2ok8A1 THR 212 HA -0.28 0.29 1.08 -0.75 4.39 4.73 2ok8A1 THR 212 HB 0.05 -0.03 0.17 -0.04 4.32 4.47 2ok8A1 THR 212 HG23 -0.14 -0.02 -0.14 -0.04 1.22 0.88 2ok8A1 ILE 213 H -0.29 0.79 0.38 -0.55 8.25 8.58 2ok8A1 ILE 213 HA -0.03 0.31 1.07 -0.75 4.18 4.78 2ok8A1 ILE 213 HB -0.14 -0.10 0.11 -0.04 1.89 1.72 2ok8A1 ILE 213 HG12 0.03 0.03 -0.22 -0.04 1.49 1.29 2ok8A1 ILE 213 HG13 -0.13 0.05 -0.30 -0.04 1.21 0.80 2ok8A1 ILE 213 HG23 0.02 -0.01 -0.22 -0.04 0.93 0.67 2ok8A1 ILE 213 HD13 0.06 -0.01 -0.16 -0.04 0.88 0.72 2ok8A1 TYR 214 H 0.24 0.63 0.31 -0.55 8.29 8.92 2ok8A1 TYR 214 HA 0.09 0.24 0.93 -0.75 4.56 5.06 2ok8A1 TYR 214 HB2 0.08 -0.05 0.23 -0.04 3.06 3.27 2ok8A1 TYR 214 HB3 0.03 -0.03 0.04 -0.04 2.98 2.97 2ok8A1 TYR 214 HD2 0.06 0.02 -0.12 -0.04 7.15 7.08 2ok8A1 TYR 214 HE2 0.07 0.03 -0.13 -0.04 6.85 6.78 2ok8A1 TYR 215 H 0.17 0.78 0.20 -0.55 8.29 8.88 2ok8A1 TYR 215 HA 0.15 0.23 1.00 -0.75 4.56 5.19 2ok8A1 TYR 215 HB2 0.12 0.03 -0.23 -0.04 3.06 2.94 2ok8A1 TYR 215 HB3 0.16 -0.01 0.00 -0.04 2.98 3.09 2ok8A1 TYR 215 HD2 0.30 0.07 -0.20 -0.04 7.15 7.27 2ok8A1 TYR 215 HE2 0.17 0.01 -0.18 -0.04 6.85 6.82 2ok8A1 GLY 216 H 0.25 0.66 0.33 -0.55 8.43 9.12 2ok8A1 GLY 216 HA2 -0.06 0.29 0.88 -0.51 4.01 4.61 2ok8A1 GLY 216 HA3 0.03 -0.01 0.37 -0.51 4.01 3.89 2ok8A1 VAL 217 H -0.08 0.80 0.41 -0.55 8.24 8.82 2ok8A1 VAL 217 HA -0.05 0.04 0.74 -0.75 4.13 4.09 2ok8A1 VAL 217 HB -0.07 -0.12 0.05 -0.04 2.12 1.93 2ok8A1 VAL 217 HG13 -0.46 -0.02 -0.18 -0.04 0.97 0.27 2ok8A1 VAL 217 HG23 -0.01 0.02 -0.23 -0.04 0.95 0.69 2ok8A1 TYR 218 H 0.06 0.16 0.16 -0.55 8.29 8.12 2ok8A1 TYR 218 HA -0.18 -0.04 0.56 -0.75 4.56 4.14 2ok8A1 TYR 218 HB2 -0.09 0.06 0.09 -0.04 3.06 3.08 2ok8A1 TYR 218 HB3 -0.12 -0.02 0.15 -0.04 2.98 2.95 2ok8A1 TYR 218 HD2 -0.08 0.00 -0.41 -0.04 7.15 6.62 2ok8A1 TYR 218 HE2 0.04 0.02 -0.17 -0.04 6.85 6.71 2ok8A1 ASN 219 H -0.05 0.19 0.05 -0.55 8.53 8.18 2ok8A1 ASN 219 HA -0.80 0.21 0.50 -0.75 4.76 3.92 2ok8A1 ASN 219 HB2 -0.18 -0.02 0.15 -0.04 2.88 2.79 2ok8A1 ASN 219 HB3 -0.15 0.18 -0.10 -0.04 2.79 2.67 2ok8A1 ASN 219 HD21 0.08 0.55 -0.11 -0.04 7.03 7.51 2ok8A1 ASN 219 HD22 0.26 0.06 -0.03 -0.04 7.74 7.98 2ok8A1 GLU 220 H -0.82 0.26 0.11 -0.55 8.60 7.60 2ok8A1 GLU 220 HA -0.68 0.12 0.33 -0.75 4.29 3.30 2ok8A1 GLU 220 HB2 -0.70 0.06 0.11 -0.04 2.09 1.51 2ok8A1 GLU 220 HB3 -0.31 -0.02 0.07 -0.04 1.99 1.69 2ok8A1 GLU 220 HG2 -0.18 0.01 -0.15 -0.04 2.34 1.98 2ok8A1 GLU 220 HG3 -0.17 0.03 0.02 -0.04 2.34 2.18 2ok8A1 ASP 221 H -0.20 0.10 -0.20 -0.55 8.40 7.55 2ok8A1 ASP 221 HA -0.11 0.19 0.54 -0.75 4.63 4.50 2ok8A1 ASP 221 HB2 -0.08 0.03 -0.16 -0.04 2.71 2.45 2ok8A1 ASP 221 HB3 -0.08 0.10 -0.06 -0.04 2.70 2.62 2ok8A1 SER 222 H -0.14 0.29 -0.56 -0.55 8.46 7.50 2ok8A1 SER 222 HA -0.07 0.17 0.64 -0.75 4.49 4.46 2ok8A1 SER 222 HB2 -0.05 -0.01 0.10 -0.04 3.95 3.95 2ok8A1 SER 222 HB3 -0.04 -0.04 0.16 -0.04 3.93 3.97 2ok8A1 ILE 223 H -0.10 0.31 -0.30 -0.55 8.25 7.61 2ok8A1 ILE 223 HA -0.03 -0.02 0.44 -0.75 4.18 3.81 2ok8A1 ILE 223 HB -0.08 0.08 0.11 -0.04 1.89 1.97 2ok8A1 ILE 223 HG12 -0.08 -0.00 -0.06 -0.04 1.49 1.30 2ok8A1 ILE 223 HG13 -0.07 -0.06 0.03 -0.04 1.21 1.06 2ok8A1 ILE 223 HG23 0.20 -0.01 -0.25 -0.04 0.93 0.82 2ok8A1 ILE 223 HD13 -0.47 0.02 -0.00 -0.04 0.88 0.38 2ok8A1 LEU 224 H 0.34 0.12 0.14 -0.55 8.37 8.42 2ok8A1 LEU 224 HA -0.03 0.18 0.56 -0.75 4.35 4.31 2ok8A1 LEU 224 HB2 0.25 0.01 0.00 -0.04 1.64 1.87 2ok8A1 LEU 224 HB3 -0.09 -0.04 -0.03 -0.04 1.64 1.44 2ok8A1 LEU 224 HG 0.14 0.12 -0.01 -0.04 1.64 1.85 2ok8A1 LEU 224 HD13 0.11 0.01 -0.20 -0.04 0.93 0.80 2ok8A1 LEU 224 HD23 -0.06 0.01 -0.24 -0.04 0.89 0.56 2ok8A1 TYR 225 H -0.31 0.20 0.12 -0.55 8.29 7.75 2ok8A1 TYR 225 HA 0.02 0.02 0.29 -0.75 4.56 4.14 2ok8A1 TYR 225 HB2 0.06 0.18 -0.12 -0.04 3.06 3.14 2ok8A1 TYR 225 HB3 0.05 -0.05 0.13 -0.04 2.98 3.07 2ok8A1 TYR 225 HD2 -0.01 -0.01 -0.17 -0.04 7.15 6.93 2ok8A1 TYR 225 HE2 -0.01 0.00 -0.10 -0.04 6.85 6.70 2ok8A1 LEU 226 H 0.07 0.27 -0.31 -0.55 8.37 7.86 2ok8A1 LEU 226 HA 0.16 0.09 0.21 -0.75 4.35 4.06 2ok8A1 LEU 226 HB2 0.02 0.20 -0.00 -0.04 1.64 1.81 2ok8A1 LEU 226 HB3 0.02 -0.03 0.05 -0.04 1.64 1.63 2ok8A1 LEU 226 HG 0.04 -0.02 -0.24 -0.04 1.64 1.38 2ok8A1 LEU 226 HD13 -0.05 -0.00 -0.03 -0.04 0.93 0.81 2ok8A1 LEU 226 HD23 -0.03 0.02 -0.04 -0.04 0.89 0.80 2ok8A1 ASN 227 H 0.06 0.10 -0.19 -0.55 8.53 7.95 2ok8A1 ASN 227 HA 0.07 0.11 0.29 -0.75 4.76 4.48 2ok8A1 ASN 227 HB2 0.04 -0.05 0.01 -0.04 2.88 2.83 2ok8A1 ASN 227 HB3 0.03 0.08 -0.07 -0.04 2.79 2.80 2ok8A1 ASN 227 HD21 -0.01 0.04 -0.02 -0.04 7.03 7.01 2ok8A1 ASN 227 HD22 -0.00 0.01 -0.02 -0.04 7.74 7.68 2ok8A1 GLU 228 H 0.14 0.06 -0.30 -0.55 8.60 7.94 2ok8A1 GLU 228 HA 0.01 0.10 0.50 -0.75 4.29 4.15 2ok8A1 GLU 228 HB2 0.18 0.07 0.08 -0.04 2.09 2.38 2ok8A1 GLU 228 HB3 0.19 0.05 -0.05 -0.04 1.99 2.14 2ok8A1 GLU 228 HG2 -0.10 0.05 -0.03 -0.04 2.34 2.22 2ok8A1 GLU 228 HG3 -0.11 0.04 -0.03 -0.04 2.34 2.20 2ok8A1 LEU 229 H 0.23 0.57 -0.09 -0.55 8.37 8.54 2ok8A1 LEU 229 HA 0.31 0.04 0.40 -0.75 4.35 4.36 2ok8A1 LEU 229 HB2 0.29 0.06 0.06 -0.04 1.64 2.01 2ok8A1 LEU 229 HB3 0.29 -0.03 -0.08 -0.04 1.64 1.78 2ok8A1 LEU 229 HG 0.23 0.05 -0.04 -0.04 1.64 1.84 2ok8A1 LEU 229 HD13 0.37 -0.02 -0.19 -0.04 0.93 1.05 2ok8A1 LEU 229 HD23 0.13 -0.01 -0.12 -0.04 0.89 0.85 2ok8A1 GLU 230 H 0.17 0.66 -0.12 -0.55 8.60 8.76 2ok8A1 GLU 230 HA 0.13 0.03 0.39 -0.75 4.29 4.08 2ok8A1 GLU 230 HB2 0.10 0.04 0.11 -0.04 2.09 2.30 2ok8A1 GLU 230 HB3 0.08 -0.01 -0.03 -0.04 1.99 1.99 2ok8A1 GLU 230 HG2 0.13 -0.02 -0.01 -0.04 2.34 2.39 2ok8A1 GLU 230 HG3 0.12 0.10 -0.01 -0.04 2.34 2.51 2ok8A1 TYR 231 H 0.17 0.40 -0.29 -0.55 8.29 8.02 2ok8A1 TYR 231 HA -0.06 0.02 0.41 -0.75 4.56 4.17 2ok8A1 TYR 231 HB2 -0.07 0.02 0.13 -0.04 3.06 3.11 2ok8A1 TYR 231 HB3 -0.25 0.08 0.21 -0.04 2.98 2.97 2ok8A1 TYR 231 HD2 -0.60 -0.01 -0.07 -0.04 7.15 6.43 2ok8A1 TYR 231 HE2 -0.07 0.02 -0.06 -0.04 6.85 6.70 2ok8A1 PHE 232 H 0.13 0.53 -0.09 -0.55 8.34 8.35 2ok8A1 PHE 232 HA -0.01 0.06 0.35 -0.75 4.62 4.26 2ok8A1 PHE 232 HB2 0.06 0.03 0.05 -0.04 3.15 3.25 2ok8A1 PHE 232 HB3 -0.07 0.02 -0.08 -0.04 3.06 2.88 2ok8A1 PHE 232 HD2 0.11 0.06 -0.12 -0.04 7.28 7.29 2ok8A1 PHE 232 HE2 0.17 -0.01 -0.15 -0.04 7.38 7.35 2ok8A1 PHE 232 HZ -0.10 -0.08 -0.15 -0.04 7.32 6.95 2ok8A1 GLN 233 H 0.12 0.46 -0.26 -0.55 8.47 8.25 2ok8A1 GLN 233 HA 0.01 0.10 0.34 -0.75 4.36 4.05 2ok8A1 GLN 233 HB2 0.04 -0.03 0.02 -0.04 2.15 2.14 2ok8A1 GLN 233 HB3 0.05 0.02 0.06 -0.04 2.02 2.10 2ok8A1 GLN 233 HG2 -0.00 -0.00 -0.13 -0.04 2.40 2.22 2ok8A1 GLN 233 HG3 -0.02 0.14 0.03 -0.04 2.39 2.50 2ok8A1 GLN 233 HE21 -0.01 -0.03 0.00 -0.04 6.97 6.89 2ok8A1 GLN 233 HE22 0.07 0.02 -0.05 -0.04 7.69 7.69 2ok8A1 LYS 234 H -0.05 0.50 -0.13 -0.55 8.42 8.18 2ok8A1 LYS 234 HA -0.07 0.05 0.56 -0.75 4.32 4.11 2ok8A1 LYS 234 HB2 -0.07 -0.06 0.08 -0.04 1.87 1.77 2ok8A1 LYS 234 HB3 -0.04 -0.04 0.11 -0.04 1.79 1.79 2ok8A1 LYS 234 HG2 -0.07 0.02 0.06 -0.04 1.46 1.43 2ok8A1 LYS 234 HG3 -0.25 0.14 0.08 -0.04 1.46 1.39 2ok8A1 LYS 234 HD2 -0.12 0.01 -0.07 -0.04 1.69 1.47 2ok8A1 LYS 234 HD3 -0.06 -0.04 -0.03 -0.04 1.68 1.51 2ok8A1 LYS 234 HE2 0.00 -0.04 -0.02 -0.04 2.99 2.89 2ok8A1 LYS 234 HE3 0.01 -0.05 -0.04 -0.04 2.99 2.87 2ok8A1 MET 235 H -0.35 0.53 -0.09 -0.55 8.47 8.02 2ok8A1 MET 235 HA -0.41 0.02 0.52 -0.75 4.52 3.90 2ok8A1 MET 235 HB2 -0.71 0.06 0.10 -0.04 2.15 1.56 2ok8A1 MET 235 HB3 -1.13 -0.02 -0.00 -0.04 2.03 0.84 2ok8A1 MET 235 HG2 -0.80 -0.01 0.05 -0.04 2.63 1.83 2ok8A1 MET 235 HG3 -1.23 -0.07 -0.02 -0.04 2.56 1.21 2ok8A1 MET 235 HE3 -0.15 -0.02 -0.01 -0.04 2.10 1.88 2ok8A1 TYR 236 H -0.14 0.40 -0.33 -0.55 8.29 7.66 2ok8A1 TYR 236 HA -0.08 0.16 0.88 -0.75 4.56 4.78 2ok8A1 TYR 236 HB2 -0.43 0.09 0.13 -0.04 3.06 2.81 2ok8A1 TYR 236 HB3 -0.21 -0.09 0.14 -0.04 2.98 2.78 2ok8A1 TYR 236 HD2 -0.12 0.03 0.00 -0.04 7.15 7.02 2ok8A1 TYR 236 HE2 0.16 -0.02 -0.06 -0.04 6.85 6.90 2ok8A1 PRO 237 HA 0.00 0.18 0.39 -0.51 4.44 4.50 2ok8A1 PRO 237 HB2 0.00 -0.07 0.05 -0.04 2.28 2.23 2ok8A1 PRO 237 HB3 -0.02 0.08 0.17 -0.04 2.02 2.21 2ok8A1 PRO 237 HG2 -0.01 -0.06 0.00 -0.04 2.03 1.93 2ok8A1 PRO 237 HG3 -0.04 0.04 0.05 -0.04 2.03 2.04 2ok8A1 PRO 237 HD2 -0.06 0.13 -0.09 -0.04 3.68 3.62 2ok8A1 PRO 237 HD3 -0.11 0.32 -0.48 -0.04 3.65 3.34 2ok8A1 ASN 238 H 0.07 0.11 -0.31 -0.55 8.53 7.86 2ok8A1 ASN 238 HA 0.13 0.17 0.88 -0.75 4.76 5.18 2ok8A1 ASN 238 HB2 0.08 0.04 -0.01 -0.04 2.88 2.95 2ok8A1 ASN 238 HB3 0.06 -0.00 0.11 -0.04 2.79 2.92 2ok8A1 ASN 238 HD21 0.02 -0.03 -0.02 -0.04 7.03 6.96 2ok8A1 ASN 238 HD22 0.04 0.04 -0.01 -0.04 7.74 7.77 2ok8A1 ASN 239 H 0.13 0.43 -0.08 -0.55 8.53 8.47 2ok8A1 ASN 239 HA 0.29 0.22 0.98 -0.75 4.76 5.50 2ok8A1 ASN 239 HB2 0.22 0.02 0.06 -0.04 2.88 3.14 2ok8A1 ASN 239 HB3 0.41 0.03 0.08 -0.04 2.79 3.27 2ok8A1 ASN 239 HD21 0.06 -0.06 -0.11 -0.04 7.03 6.88 2ok8A1 ASN 239 HD22 0.08 0.44 -0.18 -0.04 7.74 8.04 2ok8A1 ILE 240 H -0.01 0.31 0.04 -0.55 8.25 8.04 2ok8A1 ILE 240 HA -0.29 0.25 1.04 -0.75 4.18 4.43 2ok8A1 ILE 240 HB -0.05 0.06 -0.05 -0.04 1.89 1.80 2ok8A1 ILE 240 HG12 0.05 -0.01 -0.20 -0.04 1.49 1.29 2ok8A1 ILE 240 HG13 -0.04 -0.03 -0.49 -0.04 1.21 0.61 2ok8A1 ILE 240 HG23 -0.07 -0.05 -0.25 -0.04 0.93 0.51 2ok8A1 ILE 240 HD13 -0.33 0.03 -0.21 -0.04 0.88 0.34 2ok8A1 ASN 241 H -0.38 0.78 0.34 -0.55 8.53 8.72 2ok8A1 ASN 241 HA -0.19 0.14 0.79 -0.75 4.76 4.74 2ok8A1 ASN 241 HB2 -0.03 0.07 -0.10 -0.04 2.88 2.78 2ok8A1 ASN 241 HB3 -0.20 -0.08 0.15 -0.04 2.79 2.62 2ok8A1 ASN 241 HD21 0.12 -0.03 -0.05 -0.04 7.03 7.03 2ok8A1 ASN 241 HD22 0.16 -0.02 -0.06 -0.04 7.74 7.78 2ok8A1 ILE 242 H -0.30 0.24 0.10 -0.55 8.25 7.74 2ok8A1 ILE 242 HA -0.37 0.17 1.07 -0.75 4.18 4.29 2ok8A1 ILE 242 HB -0.31 -0.00 0.03 -0.04 1.89 1.57 2ok8A1 ILE 242 HG12 -0.12 0.01 -0.17 -0.04 1.49 1.17 2ok8A1 ILE 242 HG13 -0.14 -0.01 -0.34 -0.04 1.21 0.68 2ok8A1 ILE 242 HG23 -0.55 -0.03 -0.22 -0.04 0.93 0.08 2ok8A1 ILE 242 HD13 0.05 -0.00 -0.12 -0.04 0.88 0.77 2ok8A1 HIS 243 H -0.35 0.87 0.32 -0.55 8.41 8.71 2ok8A1 HIS 243 HA -0.22 0.14 0.94 -0.75 4.63 4.74 2ok8A1 HIS 243 HB2 -0.28 -0.03 0.23 -0.04 3.26 3.14 2ok8A1 HIS 243 HB3 -0.08 0.01 -0.00 -0.04 3.20 3.08 2ok8A1 HIS 243 HD2 -0.85 0.01 -0.15 -0.04 6.97 5.93 2ok8A1 HIS 243 HE1 -0.03 0.01 -0.06 -0.04 7.75 7.62 2ok8A1 TYR 244 H -0.15 0.19 0.08 -0.55 8.29 7.85 2ok8A1 TYR 244 HA -0.09 0.25 0.82 -0.75 4.56 4.78 2ok8A1 TYR 244 HB2 -0.30 -0.00 0.05 -0.04 3.06 2.77 2ok8A1 TYR 244 HB3 -0.49 -0.04 -0.06 -0.04 2.98 2.34 2ok8A1 TYR 244 HD2 0.08 0.04 -0.04 -0.04 7.15 7.19 2ok8A1 TYR 244 HE2 0.22 0.02 -0.11 -0.04 6.85 6.94 2ok8A1 VAL 245 H -0.17 0.66 0.31 -0.55 8.24 8.49 2ok8A1 VAL 245 HA -0.27 0.18 0.81 -0.75 4.13 4.10 2ok8A1 VAL 245 HB -0.05 -0.15 -0.01 -0.04 2.12 1.87 2ok8A1 VAL 245 HG13 -0.00 0.03 -0.29 -0.04 0.97 0.66 2ok8A1 VAL 245 HG23 0.01 0.04 -0.25 -0.04 0.95 0.70 2ok8A1 PHE 246 H -0.31 0.25 0.07 -0.55 8.34 7.80 2ok8A1 PHE 246 HA -0.35 0.34 0.93 -0.75 4.62 4.78 2ok8A1 PHE 246 HB2 -0.36 0.05 0.07 -0.04 3.15 2.88 2ok8A1 PHE 246 HB3 -0.87 0.05 -0.03 -0.04 3.06 2.16 2ok8A1 PHE 246 HD2 -0.10 0.07 -0.23 -0.04 7.28 6.98 2ok8A1 PHE 246 HE2 -0.10 0.06 -0.15 -0.04 7.38 7.15 2ok8A1 PHE 246 HZ -0.18 0.07 -0.09 -0.04 7.32 7.08 2ok8A1 SER 247 H -0.39 0.44 0.35 -0.55 8.46 8.31 2ok8A1 SER 247 HA -1.36 0.20 0.69 -0.75 4.49 3.27 2ok8A1 SER 247 HB2 -0.54 0.01 -0.05 -0.04 3.95 3.33 2ok8A1 SER 247 HB3 -0.34 0.01 0.00 -0.04 3.93 3.56 2ok8A1 TYR 248 H -0.95 0.63 0.33 -0.55 8.29 7.75 2ok8A1 TYR 248 HA -1.64 -0.03 0.33 -0.75 4.56 2.46 2ok8A1 TYR 248 HB2 -0.26 0.17 0.18 -0.04 3.06 3.11 2ok8A1 TYR 248 HB3 -0.34 -0.04 0.21 -0.04 2.98 2.76 2ok8A1 TYR 248 HD2 -0.22 0.05 -0.16 -0.04 7.15 6.77 2ok8A1 TYR 248 HE2 -0.05 -0.02 -0.00 -0.04 6.85 6.74 2ok8A1 LYS 249 H -0.35 0.07 -0.22 -0.55 8.42 7.36 2ok8A1 LYS 249 HA 0.11 0.15 0.67 -0.75 4.32 4.50 2ok8A1 LYS 249 HB2 0.00 -0.05 -0.08 -0.04 1.87 1.71 2ok8A1 LYS 249 HB3 0.08 -0.15 0.02 -0.04 1.79 1.70 2ok8A1 LYS 249 HG2 0.06 0.12 0.06 -0.04 1.46 1.65 2ok8A1 LYS 249 HG3 0.00 0.28 -0.44 -0.04 1.46 1.26 2ok8A1 LYS 249 HD2 0.28 -0.02 -0.06 -0.04 1.69 1.85 2ok8A1 LYS 249 HD3 0.12 -0.12 -0.00 -0.04 1.68 1.64 2ok8A1 LYS 249 HE2 0.10 0.02 0.02 -0.04 2.99 3.09 2ok8A1 LYS 249 HE3 0.20 0.09 -0.01 -0.04 2.99 3.22 2ok8A1 GLN 250 H 0.22 0.25 0.09 -0.55 8.47 8.48 2ok8A1 GLN 250 HA 0.14 0.06 0.49 -0.75 4.36 4.30 2ok8A1 GLN 250 HB2 0.07 0.03 0.11 -0.04 2.15 2.32 2ok8A1 GLN 250 HB3 0.02 0.03 0.07 -0.04 2.02 2.10 2ok8A1 GLN 250 HG2 -0.14 -0.03 0.01 -0.04 2.40 2.19 2ok8A1 GLN 250 HG3 0.02 -0.01 -0.00 -0.04 2.39 2.35 2ok8A1 GLN 250 HE21 -0.08 0.08 0.02 -0.04 6.97 6.95 2ok8A1 GLN 250 HE22 -0.07 -0.02 0.01 -0.04 7.69 7.57 2ok8A1 ASN 251 H 0.07 0.08 -0.20 -0.55 8.53 7.94 2ok8A1 ASN 251 HA 0.01 0.09 0.59 -0.75 4.76 4.69 2ok8A1 ASN 251 HB2 0.05 0.11 0.10 -0.04 2.88 3.10 2ok8A1 ASN 251 HB3 0.06 -0.01 0.10 -0.04 2.79 2.89 2ok8A1 ASN 251 HD21 0.04 0.09 -0.04 -0.04 7.03 7.08 2ok8A1 ASN 251 HD22 0.05 0.04 -0.04 -0.04 7.74 7.75 2ok8A1 SER 252 H -0.10 0.24 0.25 -0.55 8.46 8.30 2ok8A1 SER 252 HA -0.06 0.11 0.39 -0.75 4.49 4.18 2ok8A1 SER 252 HB2 -0.64 0.03 0.20 -0.04 3.95 3.51 2ok8A1 SER 252 HB3 -0.70 -0.06 0.04 -0.04 3.93 3.17 2ok8A1 ASP 253 H -0.09 0.13 -0.11 -0.55 8.40 7.79 2ok8A1 ASP 253 HA 0.11 0.05 0.47 -0.75 4.63 4.50 2ok8A1 ASP 253 HB2 0.09 -0.01 0.08 -0.04 2.71 2.83 2ok8A1 ASP 253 HB3 0.06 0.03 0.01 -0.04 2.70 2.75 2ok8A1 ALA 254 H 0.07 0.13 -0.38 -0.55 8.40 7.68 2ok8A1 ALA 254 HA 0.20 0.16 0.61 -0.75 4.34 4.56 2ok8A1 ALA 254 HB3 0.16 0.06 0.03 -0.04 1.41 1.62 2ok8A1 THR 255 H 0.09 0.40 -0.07 -0.55 8.28 8.15 2ok8A1 THR 255 HA 0.09 0.07 0.43 -0.75 4.39 4.23 2ok8A1 THR 255 HB 0.04 0.03 0.11 -0.04 4.32 4.45 2ok8A1 THR 255 HG23 0.01 -0.01 -0.19 -0.04 1.22 0.98 2ok8A1 SER 256 H 0.09 0.48 -0.21 -0.55 8.46 8.27 2ok8A1 SER 256 HA 0.03 0.04 0.37 -0.75 4.49 4.18 2ok8A1 SER 256 HB2 0.00 -0.02 -0.13 -0.04 3.95 3.76 2ok8A1 SER 256 HB3 0.08 -0.04 0.02 -0.04 3.93 3.94 2ok8A1 PHE 257 H 0.23 0.28 -0.39 -0.55 8.34 7.91 2ok8A1 PHE 257 HA -0.05 0.05 0.52 -0.75 4.62 4.39 2ok8A1 PHE 257 HB2 -0.01 -0.00 0.09 -0.04 3.15 3.19 2ok8A1 PHE 257 HB3 0.02 0.10 0.15 -0.04 3.06 3.29 2ok8A1 PHE 257 HD2 -0.16 0.03 -0.06 -0.04 7.28 7.05 2ok8A1 PHE 257 HE2 -0.26 0.02 -0.06 -0.04 7.38 7.04 2ok8A1 PHE 257 HZ -0.14 0.03 -0.04 -0.04 7.32 7.13 2ok8A1 TYR 258 H 0.27 0.42 -0.22 -0.55 8.29 8.20 2ok8A1 TYR 258 HA -0.42 0.07 0.48 -0.75 4.56 3.94 2ok8A1 TYR 258 HB2 -0.03 0.11 0.11 -0.04 3.06 3.20 2ok8A1 TYR 258 HB3 -0.08 -0.04 -0.15 -0.04 2.98 2.67 2ok8A1 TYR 258 HD2 0.07 0.18 -0.01 -0.04 7.15 7.36 2ok8A1 TYR 258 HE2 0.12 -0.04 -0.01 -0.04 6.85 6.89 2ok8A1 VAL 259 H -0.00 0.37 -0.24 -0.55 8.24 7.81 2ok8A1 VAL 259 HA -0.06 0.06 0.49 -0.75 4.13 3.87 2ok8A1 VAL 259 HB -0.05 0.06 0.10 -0.04 2.12 2.19 2ok8A1 VAL 259 HG13 -0.04 0.00 -0.14 -0.04 0.97 0.76 2ok8A1 VAL 259 HG23 0.04 0.06 -0.01 -0.04 0.95 1.00 2ok8A1 GLN 260 H -0.19 0.62 -0.05 -0.55 8.47 8.31 2ok8A1 GLN 260 HA -0.41 0.02 0.34 -0.75 4.36 3.56 2ok8A1 GLN 260 HB2 -0.22 -0.03 0.07 -0.04 2.15 1.93 2ok8A1 GLN 260 HB3 -0.22 0.10 0.12 -0.04 2.02 1.98 2ok8A1 GLN 260 HG2 -0.27 -0.02 -0.19 -0.04 2.40 1.88 2ok8A1 GLN 260 HG3 -0.43 0.09 0.00 -0.04 2.39 2.00 2ok8A1 GLN 260 HE21 0.19 -0.03 -0.02 -0.04 6.97 7.07 2ok8A1 GLN 260 HE22 0.11 0.06 -0.02 -0.04 7.69 7.80 2ok8A1 ASP 261 H -0.43 0.39 -0.48 -0.55 8.40 7.32 2ok8A1 ASP 261 HA -0.11 0.03 0.49 -0.75 4.63 4.28 2ok8A1 ASP 261 HB2 -1.01 0.11 0.11 -0.04 2.71 1.87 2ok8A1 ASP 261 HB3 -0.49 0.09 0.13 -0.04 2.70 2.39 2ok8A1 GLU 262 H -0.18 0.55 -0.05 -0.55 8.60 8.38 2ok8A1 GLU 262 HA -0.08 0.04 0.59 -0.75 4.29 4.09 2ok8A1 GLU 262 HB2 -0.07 0.08 0.18 -0.04 2.09 2.24 2ok8A1 GLU 262 HB3 -0.01 -0.02 -0.14 -0.04 1.99 1.79 2ok8A1 GLU 262 HG2 -0.02 0.01 0.03 -0.04 2.34 2.32 2ok8A1 GLU 262 HG3 -0.01 -0.02 -0.08 -0.04 2.34 2.20 2ok8A1 ILE 263 H -0.33 0.53 -0.24 -0.55 8.25 7.66 2ok8A1 ILE 263 HA -0.47 0.03 0.36 -0.75 4.18 3.34 2ok8A1 ILE 263 HB -0.73 0.09 0.07 -0.04 1.89 1.29 2ok8A1 ILE 263 HG12 -1.59 -0.02 -0.06 -0.04 1.49 -0.23 2ok8A1 ILE 263 HG13 -0.61 0.05 -0.03 -0.04 1.21 0.58 2ok8A1 ILE 263 HG23 -1.43 -0.01 -0.16 -0.04 0.93 -0.71 2ok8A1 ILE 263 HD13 -0.61 -0.03 -0.13 -0.04 0.88 0.07 2ok8A1 TYR 264 H -0.36 0.63 -0.06 -0.55 8.29 7.94 2ok8A1 TYR 264 HA -0.24 0.02 0.49 -0.75 4.56 4.07 2ok8A1 TYR 264 HB2 -0.18 0.07 0.19 -0.04 3.06 3.10 2ok8A1 TYR 264 HB3 -0.12 -0.03 -0.02 -0.04 2.98 2.78 2ok8A1 TYR 264 HD2 -0.23 -0.03 -0.02 -0.04 7.15 6.83 2ok8A1 TYR 264 HE2 -0.18 -0.00 -0.03 -0.04 6.85 6.59 2ok8A1 LYS 265 H -0.04 0.45 -0.31 -0.55 8.42 7.96 2ok8A1 LYS 265 HA 0.00 0.01 0.42 -0.75 4.32 4.00 2ok8A1 LYS 265 HB2 -0.04 0.15 0.16 -0.04 1.87 2.09 2ok8A1 LYS 265 HB3 -0.02 -0.07 0.05 -0.04 1.79 1.72 2ok8A1 LYS 265 HG2 -0.01 -0.06 0.05 -0.04 1.46 1.39 2ok8A1 LYS 265 HG3 -0.03 0.21 0.10 -0.04 1.46 1.70 2ok8A1 LYS 265 HD2 -0.03 -0.02 -0.02 -0.04 1.69 1.58 2ok8A1 LYS 265 HD3 -0.01 -0.03 0.02 -0.04 1.68 1.62 2ok8A1 LYS 265 HE2 0.00 -0.04 -0.02 -0.04 2.99 2.90 2ok8A1 LYS 265 HE3 -0.00 -0.02 -0.00 -0.04 2.99 2.92 2ok8A1 ARG 266 H -0.07 0.38 -0.47 -0.55 8.46 7.75 2ok8A1 ARG 266 HA 0.01 0.10 0.83 -0.75 4.34 4.53 2ok8A1 ARG 266 HB2 0.02 0.08 0.12 -0.04 1.90 2.07 2ok8A1 ARG 266 HB3 0.04 -0.14 0.19 -0.04 1.80 1.85 2ok8A1 ARG 266 HG2 -0.07 -0.01 -0.07 -0.04 1.67 1.48 2ok8A1 ARG 266 HG3 -0.07 0.10 -0.11 -0.04 1.67 1.55 2ok8A1 ARG 266 HD2 -0.14 -0.00 -0.08 -0.04 3.22 2.95 2ok8A1 ARG 266 HD3 -0.55 -0.04 -0.03 -0.04 3.22 2.56 2ok8A1 LYS 267 H 0.00 0.40 -0.38 -0.55 8.42 7.89 2ok8A1 LYS 267 HA 0.03 0.04 0.23 -0.75 4.32 3.87 2ok8A1 LYS 267 HB2 -0.06 -0.04 0.06 -0.04 1.87 1.78 2ok8A1 LYS 267 HB3 -0.03 0.12 0.19 -0.04 1.79 2.02 2ok8A1 LYS 267 HG2 0.03 0.07 0.06 -0.04 1.46 1.59 2ok8A1 LYS 267 HG3 0.05 -0.06 -0.15 -0.04 1.46 1.25 2ok8A1 LYS 267 HD2 -0.09 -0.02 -0.01 -0.04 1.69 1.53 2ok8A1 LYS 267 HD3 0.03 0.05 0.06 -0.04 1.68 1.78 2ok8A1 LYS 267 HE2 0.15 -0.02 -0.03 -0.04 2.99 3.05 2ok8A1 LYS 267 HE3 0.18 -0.01 -0.00 -0.04 2.99 3.11 2ok8A1 THR 268 H 0.06 0.14 -0.25 -0.55 8.28 7.68 2ok8A1 THR 268 HA 0.08 0.09 0.47 -0.75 4.39 4.28 2ok8A1 THR 268 HB 0.06 -0.01 0.05 -0.04 4.32 4.38 2ok8A1 THR 268 HG23 0.06 0.01 -0.07 -0.04 1.22 1.18 2ok8A1 GLU 269 H 0.09 0.11 -0.13 -0.55 8.60 8.12 2ok8A1 GLU 269 HA 0.11 0.06 0.52 -0.75 4.29 4.23 2ok8A1 GLU 269 HB2 0.10 -0.03 0.10 -0.04 2.09 2.23 2ok8A1 GLU 269 HB3 0.16 0.16 0.19 -0.04 1.99 2.45 2ok8A1 GLU 269 HG2 0.21 -0.01 -0.26 -0.04 2.34 2.25 2ok8A1 GLU 269 HG3 0.15 0.01 -0.02 -0.04 2.34 2.43 2ok8A1 PHE 270 H 0.27 0.66 -0.00 -0.55 8.34 8.72 2ok8A1 PHE 270 HA 0.15 0.01 0.23 -0.75 4.62 4.26 2ok8A1 PHE 270 HB2 -0.04 -0.01 0.02 -0.04 3.15 3.08 2ok8A1 PHE 270 HB3 -0.08 0.08 0.00 -0.04 3.06 3.03 2ok8A1 PHE 270 HD2 -0.13 0.03 -0.18 -0.04 7.28 6.96 2ok8A1 PHE 270 HE2 -0.19 -0.00 -0.13 -0.04 7.38 7.01 2ok8A1 PHE 270 HZ -0.28 -0.01 -0.10 -0.04 7.32 6.90 2ok8A1 LEU 271 H 0.17 0.55 -0.32 -0.55 8.37 8.23 2ok8A1 LEU 271 HA 0.01 0.04 0.42 -0.75 4.35 4.07 2ok8A1 LEU 271 HB2 0.12 0.15 0.11 -0.04 1.64 1.99 2ok8A1 LEU 271 HB3 0.12 -0.05 -0.00 -0.04 1.64 1.67 2ok8A1 LEU 271 HG 0.27 -0.05 -0.03 -0.04 1.64 1.78 2ok8A1 LEU 271 HD13 0.06 0.00 -0.08 -0.04 0.93 0.87 2ok8A1 LEU 271 HD23 0.14 0.00 -0.12 -0.04 0.89 0.88 2ok8A1 ASN 272 H 0.10 0.51 -0.05 -0.55 8.53 8.55 2ok8A1 ASN 272 HA 0.07 0.03 0.75 -0.75 4.76 4.85 2ok8A1 ASN 272 HB2 0.14 0.23 0.20 -0.04 2.88 3.41 2ok8A1 ASN 272 HB3 0.26 -0.04 -0.03 -0.04 2.79 2.94 2ok8A1 ASN 272 HD21 0.06 -0.08 0.03 -0.04 7.03 7.00 2ok8A1 ASN 272 HD22 0.09 0.48 0.19 -0.04 7.74 8.46 2ok8A1 LEU 273 H 0.10 0.56 -0.20 -0.55 8.37 8.28 2ok8A1 LEU 273 HA 0.18 0.04 0.43 -0.75 4.35 4.24 2ok8A1 LEU 273 HB2 0.01 0.12 0.08 -0.04 1.64 1.82 2ok8A1 LEU 273 HB3 0.06 -0.03 -0.09 -0.04 1.64 1.54 2ok8A1 LEU 273 HG 0.09 0.09 0.01 -0.04 1.64 1.79 2ok8A1 LEU 273 HD13 0.18 -0.02 -0.14 -0.04 0.93 0.90 2ok8A1 LEU 273 HD23 0.02 -0.00 -0.06 -0.04 0.89 0.80 2ok8A1 PHE 274 H -0.00 0.43 -0.19 -0.55 8.34 8.02 2ok8A1 PHE 274 HA -0.08 0.08 0.44 -0.75 4.62 4.31 2ok8A1 PHE 274 HB2 -0.44 0.01 0.05 -0.04 3.15 2.73 2ok8A1 PHE 274 HB3 -0.20 0.03 0.08 -0.04 3.06 2.93 2ok8A1 PHE 274 HD2 -0.02 -0.00 -0.14 -0.04 7.28 7.07 2ok8A1 PHE 274 HE2 0.19 -0.01 -0.09 -0.04 7.38 7.43 2ok8A1 PHE 274 HZ 0.18 0.17 -0.10 -0.04 7.32 7.53 2ok8A1 ASN 275 H 0.07 0.63 0.02 -0.55 8.53 8.71 2ok8A1 ASN 275 HA -0.10 0.13 0.57 -0.75 4.76 4.60 2ok8A1 ASN 275 HB2 0.07 0.18 0.15 -0.04 2.88 3.23 2ok8A1 ASN 275 HB3 0.04 -0.06 0.06 -0.04 2.79 2.79 2ok8A1 ASN 275 HD21 0.19 0.00 -0.02 -0.04 7.03 7.16 2ok8A1 ASN 275 HD22 0.13 0.01 -0.00 -0.04 7.74 7.83 2ok8A1 ASN 276 H -0.03 0.25 -0.12 -0.55 8.53 8.09 2ok8A1 ASN 276 HA -0.15 0.15 0.81 -0.75 4.76 4.82 2ok8A1 ASN 276 HB2 -0.08 -0.07 0.03 -0.04 2.88 2.72 2ok8A1 ASN 276 HB3 -0.11 0.18 0.25 -0.04 2.79 3.07 2ok8A1 ASN 276 HD21 -0.26 -0.03 -0.02 -0.04 7.03 6.67 2ok8A1 ASN 276 HD22 -0.12 -0.04 0.01 -0.04 7.74 7.55 2ok8A1 TYR 277 H 0.05 0.53 0.14 -0.55 8.29 8.47 2ok8A1 TYR 277 HA -0.06 0.12 0.66 -0.75 4.56 4.53 2ok8A1 TYR 277 HB2 -0.04 0.06 0.17 -0.04 3.06 3.21 2ok8A1 TYR 277 HB3 -0.05 -0.02 0.11 -0.04 2.98 2.98 2ok8A1 TYR 277 HD2 -0.04 0.06 -0.14 -0.04 7.15 6.98 2ok8A1 TYR 277 HE2 -0.04 -0.03 -0.06 -0.04 6.85 6.68 2ok8A1 LYS 278 H -0.09 -0.01 -0.50 -0.55 8.42 7.26 2ok8A1 LYS 278 HA -0.26 0.22 0.28 -0.75 4.32 3.80 2ok8A1 LYS 278 HB2 -0.08 0.07 0.08 -0.04 1.87 1.90 2ok8A1 LYS 278 HB3 -0.14 -0.06 0.10 -0.04 1.79 1.65 2ok8A1 LYS 278 HG2 -0.10 0.05 -0.55 -0.04 1.46 0.81 2ok8A1 LYS 278 HG3 -0.09 -0.08 -0.13 -0.04 1.46 1.12 2ok8A1 LYS 278 HD2 -0.14 -0.08 -0.05 -0.04 1.69 1.38 2ok8A1 LYS 278 HD3 -0.17 0.08 -0.23 -0.04 1.68 1.33 2ok8A1 LYS 278 HE2 -0.11 0.09 -0.06 -0.04 2.99 2.87 2ok8A1 LYS 278 HE3 -0.09 -0.12 -0.03 -0.04 2.99 2.71 2ok8A1 CYS 279 H -0.06 0.38 -0.03 -0.55 8.50 8.24 2ok8A1 CYS 279 HA -0.08 0.10 0.40 -0.75 4.58 4.24 2ok8A1 CYS 279 HB2 0.08 -0.08 -0.34 -0.04 2.97 2.59 2ok8A1 CYS 279 HB3 0.09 -0.05 -0.34 -0.04 2.97 2.63 2ok8A1 GLU 280 H -0.09 0.56 0.35 -0.55 8.60 8.88 2ok8A1 GLU 280 HA 0.20 0.22 0.94 -0.75 4.29 4.90 2ok8A1 GLU 280 HB2 0.45 -0.06 0.18 -0.04 2.09 2.62 2ok8A1 GLU 280 HB3 0.51 0.00 0.05 -0.04 1.99 2.52 2ok8A1 GLU 280 HG2 -0.04 0.07 0.10 -0.04 2.34 2.43 2ok8A1 GLU 280 HG3 0.14 -0.11 0.07 -0.04 2.34 2.40 2ok8A1 LEU 281 H 0.28 0.93 0.36 -0.55 8.37 9.40 2ok8A1 LEU 281 HA 0.36 0.17 1.01 -0.75 4.35 5.13 2ok8A1 LEU 281 HB2 0.21 -0.01 -0.05 -0.04 1.64 1.76 2ok8A1 LEU 281 HB3 0.19 0.09 0.17 -0.04 1.64 2.05 2ok8A1 LEU 281 HG 0.11 -0.08 -0.28 -0.04 1.64 1.35 2ok8A1 LEU 281 HD13 0.23 0.01 -0.10 -0.04 0.93 1.03 2ok8A1 LEU 281 HD23 -0.30 -0.02 -0.11 -0.04 0.89 0.43 2ok8A1 TYR 282 H 0.63 0.80 0.43 -0.55 8.29 9.60 2ok8A1 TYR 282 HA 0.45 0.28 1.05 -0.75 4.56 5.60 2ok8A1 TYR 282 HB2 0.57 -0.00 0.20 -0.04 3.06 3.79 2ok8A1 TYR 282 HB3 0.62 -0.04 -0.04 -0.04 2.98 3.48 2ok8A1 TYR 282 HD2 -0.36 0.04 -0.20 -0.04 7.15 6.58 2ok8A1 TYR 282 HE2 -0.03 0.02 -0.23 -0.04 6.85 6.57 2ok8A1 ILE 283 H 0.56 0.73 0.39 -0.55 8.25 9.38 2ok8A1 ILE 283 HA 0.36 0.21 0.97 -0.75 4.18 4.96 2ok8A1 ILE 283 HB 0.19 -0.03 0.08 -0.04 1.89 2.09 2ok8A1 ILE 283 HG12 0.12 -0.02 -0.12 -0.04 1.49 1.42 2ok8A1 ILE 283 HG13 0.22 0.02 -0.62 -0.04 1.21 0.79 2ok8A1 ILE 283 HG23 0.09 -0.04 -0.26 -0.04 0.93 0.68 2ok8A1 ILE 283 HD13 0.06 0.01 -0.16 -0.04 0.88 0.75 2ok8A1 CYS 284 H 0.29 0.61 0.27 -0.55 8.50 9.11 2ok8A1 CYS 284 HA -0.10 0.34 0.93 -0.75 4.58 5.00 2ok8A1 CYS 284 HB2 -0.13 0.01 -0.09 -0.04 2.97 2.72 2ok8A1 CYS 284 HB3 -0.06 0.11 0.18 -0.04 2.97 3.16 2ok8A1 GLY 285 H -0.24 0.52 0.40 -0.55 8.43 8.56 2ok8A1 GLY 285 HA2 -0.45 -0.01 0.40 -0.51 4.01 3.44 2ok8A1 GLY 285 HA3 -0.10 0.06 0.99 -0.51 4.01 4.46 2ok8A1 HIS 286 H -0.03 0.09 0.19 -0.55 8.41 8.11 2ok8A1 HIS 286 HA -0.22 0.29 0.47 -0.75 4.63 4.41 2ok8A1 HIS 286 HB2 -0.04 0.01 0.18 -0.04 3.26 3.38 2ok8A1 HIS 286 HB3 -0.02 -0.02 0.08 -0.04 3.20 3.19 2ok8A1 HIS 286 HD2 0.04 0.04 0.10 -0.04 6.97 7.11 2ok8A1 HIS 286 HE1 0.06 0.07 -0.01 -0.04 7.75 7.82 2ok8A1 LYS 287 H -0.71 0.47 0.22 -0.55 8.42 7.85 2ok8A1 LYS 287 HA -0.11 0.07 0.29 -0.75 4.32 3.82 2ok8A1 LYS 287 HB2 -0.32 -0.01 0.12 -0.04 1.87 1.62 2ok8A1 LYS 287 HB3 -0.07 0.04 0.04 -0.04 1.79 1.76 2ok8A1 LYS 287 HG2 -0.06 0.03 -0.06 -0.04 1.46 1.33 2ok8A1 LYS 287 HG3 -0.15 -0.01 0.01 -0.04 1.46 1.27 2ok8A1 LYS 287 HD2 -0.09 -0.02 0.03 -0.04 1.69 1.57 2ok8A1 LYS 287 HD3 -0.04 0.03 0.00 -0.04 1.68 1.63 2ok8A1 LYS 287 HE2 -0.00 0.06 -0.02 -0.04 2.99 2.98 2ok8A1 LYS 287 HE3 0.00 0.03 -0.11 -0.04 2.99 2.87 2ok8A1 SER 288 H 0.05 0.02 -0.44 -0.55 8.46 7.54 2ok8A1 SER 288 HA 0.25 0.14 0.45 -0.75 4.49 4.58 2ok8A1 SER 288 HB2 0.17 0.09 0.00 -0.04 3.95 4.17 2ok8A1 SER 288 HB3 0.29 0.02 0.03 -0.04 3.93 4.23 2ok8A1 ILE 289 H 0.02 0.34 -0.19 -0.55 8.25 7.88 2ok8A1 ILE 289 HA -0.13 0.10 0.45 -0.75 4.18 3.85 2ok8A1 ILE 289 HB -0.02 0.05 -0.25 -0.04 1.89 1.63 2ok8A1 ILE 289 HG12 0.02 -0.06 -0.04 -0.04 1.49 1.38 2ok8A1 ILE 289 HG13 -0.01 0.05 -0.18 -0.04 1.21 1.03 2ok8A1 ILE 289 HG23 -0.03 -0.01 -0.04 -0.04 0.93 0.82 2ok8A1 ILE 289 HD13 0.05 -0.02 -0.35 -0.04 0.88 0.51 2ok8A1 ARG 290 H -0.01 0.29 -0.43 -0.55 8.46 7.76 2ok8A1 ARG 290 HA 0.00 0.09 0.08 -0.75 4.34 3.75 2ok8A1 ARG 290 HB2 0.03 -0.02 0.01 -0.04 1.90 1.89 2ok8A1 ARG 290 HB3 0.09 0.05 0.10 -0.04 1.80 1.99 2ok8A1 ARG 290 HG2 0.06 -0.01 -0.12 -0.04 1.67 1.55 2ok8A1 ARG 290 HG3 0.06 0.01 -0.07 -0.04 1.67 1.64 2ok8A1 ARG 290 HD2 0.10 -0.02 -0.10 -0.04 3.22 3.16 2ok8A1 ARG 290 HD3 0.07 0.05 -0.09 -0.04 3.22 3.21 2ok8A1 TYR 291 H 0.13 0.20 -0.12 -0.55 8.29 7.94 2ok8A1 TYR 291 HA -0.00 0.09 0.29 -0.75 4.56 4.19 2ok8A1 TYR 291 HB2 0.01 0.04 0.05 -0.04 3.06 3.13 2ok8A1 TYR 291 HB3 0.01 0.01 0.06 -0.04 2.98 3.02 2ok8A1 TYR 291 HD2 0.02 -0.01 -0.09 -0.04 7.15 7.03 2ok8A1 TYR 291 HE2 0.04 -0.05 -0.02 -0.04 6.85 6.78 2ok8A1 LYS 292 H -0.63 0.17 -0.48 -0.55 8.42 6.93 2ok8A1 LYS 292 HA -0.29 0.06 0.48 -0.75 4.32 3.82 2ok8A1 LYS 292 HB2 -0.34 0.05 0.10 -0.04 1.87 1.63 2ok8A1 LYS 292 HB3 -0.26 -0.01 -0.01 -0.04 1.79 1.46 2ok8A1 LYS 292 HG2 -0.26 0.00 -0.01 -0.04 1.46 1.15 2ok8A1 LYS 292 HG3 -1.24 -0.02 -0.01 -0.04 1.46 0.15 2ok8A1 LYS 292 HD2 -0.22 0.02 -0.24 -0.04 1.69 1.21 2ok8A1 LYS 292 HD3 -0.09 0.01 -0.27 -0.04 1.68 1.29 2ok8A1 LYS 292 HE2 0.12 -0.00 -0.06 -0.04 2.99 3.00 2ok8A1 LYS 292 HE3 -0.04 0.01 -0.04 -0.04 2.99 2.88 2ok8A1 VAL 293 H -0.19 0.61 -0.13 -0.55 8.24 7.98 2ok8A1 VAL 293 HA -0.33 0.06 0.60 -0.75 4.13 3.72 2ok8A1 VAL 293 HB -0.09 0.10 0.06 -0.04 2.12 2.14 2ok8A1 VAL 293 HG13 -0.09 0.00 -0.13 -0.04 0.97 0.71 2ok8A1 VAL 293 HG23 -0.17 0.03 -0.05 -0.04 0.95 0.72 2ok8A1 MET 294 H -0.09 0.46 -0.07 -0.55 8.47 8.23 2ok8A1 MET 294 HA -0.25 0.06 0.40 -0.75 4.52 3.98 2ok8A1 MET 294 HB2 0.03 0.02 0.08 -0.04 2.15 2.24 2ok8A1 MET 294 HB3 -0.01 -0.01 -0.00 -0.04 2.03 1.96 2ok8A1 MET 294 HG2 0.01 0.27 0.00 -0.04 2.63 2.86 2ok8A1 MET 294 HG3 0.07 -0.05 -0.06 -0.04 2.56 2.48 2ok8A1 MET 294 HE3 0.19 -0.00 -0.04 -0.04 2.10 2.20 2ok8A1 ASP 295 H -0.05 0.52 -0.24 -0.55 8.40 8.09 2ok8A1 ASP 295 HA 0.03 0.02 0.43 -0.75 4.63 4.35 2ok8A1 ASP 295 HB2 0.00 0.09 0.14 -0.04 2.71 2.91 2ok8A1 ASP 295 HB3 0.10 -0.02 -0.04 -0.04 2.70 2.71 2ok8A1 ILE 296 H -0.18 0.33 -0.30 -0.55 8.25 7.55 2ok8A1 ILE 296 HA 0.06 0.03 0.38 -0.75 4.18 3.89 2ok8A1 ILE 296 HB -0.38 0.16 0.09 -0.04 1.89 1.72 2ok8A1 ILE 296 HG12 -1.79 -0.04 0.02 -0.04 1.49 -0.37 2ok8A1 ILE 296 HG13 -0.54 0.11 0.12 -0.04 1.21 0.86 2ok8A1 ILE 296 HG23 -0.41 -0.01 -0.19 -0.04 0.93 0.28 2ok8A1 ILE 296 HD13 -0.82 -0.04 0.02 -0.04 0.88 -0.01 2ok8A1 LEU 297 H -0.21 0.36 -0.24 -0.55 8.37 7.73 2ok8A1 LEU 297 HA -0.08 0.04 0.45 -0.75 4.35 4.01 2ok8A1 LEU 297 HB2 -0.74 0.07 0.11 -0.04 1.64 1.04 2ok8A1 LEU 297 HB3 -0.85 -0.01 -0.04 -0.04 1.64 0.69 2ok8A1 LEU 297 HG -0.20 0.07 -0.02 -0.04 1.64 1.45 2ok8A1 LEU 297 HD13 -0.65 -0.02 -0.11 -0.04 0.93 0.10 2ok8A1 LEU 297 HD23 -0.27 -0.00 -0.08 -0.04 0.89 0.50 2ok8A1 LYS 298 H -0.18 0.58 -0.08 -0.55 8.42 8.18 2ok8A1 LYS 298 HA 0.06 0.06 0.42 -0.75 4.32 4.11 2ok8A1 LYS 298 HB2 0.00 0.05 0.15 -0.04 1.87 2.03 2ok8A1 LYS 298 HB3 0.07 -0.05 -0.03 -0.04 1.79 1.73 2ok8A1 LYS 298 HG2 0.21 -0.03 0.02 -0.04 1.46 1.61 2ok8A1 LYS 298 HG3 -0.06 -0.01 0.00 -0.04 1.46 1.35 2ok8A1 LYS 298 HD2 0.03 -0.03 -0.20 -0.04 1.69 1.45 2ok8A1 LYS 298 HD3 0.07 -0.03 -0.08 -0.04 1.68 1.59 2ok8A1 LYS 298 HE2 0.17 0.01 -0.03 -0.04 2.99 3.10 2ok8A1 LYS 298 HE3 0.20 -0.03 -0.06 -0.04 2.99 3.07 2ok8A1 SER 299 H 0.10 0.52 -0.18 -0.55 8.46 8.35 2ok8A1 SER 299 HA 0.04 0.08 0.59 -0.75 4.49 4.45 2ok8A1 SER 299 HB2 0.00 -0.08 0.09 -0.04 3.95 3.92 2ok8A1 SER 299 HB3 0.09 -0.09 0.05 -0.04 3.93 3.95 2ok8A1 HIS 300 H 0.19 0.24 -0.36 -0.55 8.41 7.94 2ok8A1 HIS 300 HA 0.05 0.19 1.00 -0.75 4.63 5.12 2ok8A1 HIS 300 HB2 0.08 0.21 0.09 -0.04 3.26 3.60 2ok8A1 HIS 300 HB3 0.08 -0.08 0.03 -0.04 3.20 3.18 2ok8A1 HIS 300 HD2 0.07 -0.04 -0.00 -0.04 6.97 6.95 2ok8A1 HIS 300 HE1 -0.01 -0.06 -0.05 -0.04 7.75 7.58 2ok8A1 ASP 301 H 0.14 0.43 0.05 -0.55 8.40 8.47 2ok8A1 ASP 301 HA 0.09 0.07 0.49 -0.75 4.63 4.52 2ok8A1 ASP 301 HB2 0.14 -0.03 -0.25 -0.04 2.71 2.52 2ok8A1 ASP 301 HB3 0.15 0.13 0.00 -0.04 2.70 2.93 2ok8A1 GLN 302 H 0.09 0.07 0.12 -0.55 8.47 8.21 2ok8A1 GLN 302 HA 0.11 0.05 0.56 -0.75 4.36 4.33 2ok8A1 GLN 302 HB2 0.06 -0.03 0.07 -0.04 2.15 2.20 2ok8A1 GLN 302 HB3 0.06 0.01 0.14 -0.04 2.02 2.18 2ok8A1 GLN 302 HG2 0.04 0.02 0.04 -0.04 2.40 2.47 2ok8A1 GLN 302 HG3 0.09 0.02 0.07 -0.04 2.39 2.53 2ok8A1 GLN 302 HE21 -0.00 -0.05 -0.04 -0.04 6.97 6.84 2ok8A1 GLN 302 HE22 0.01 0.06 -0.01 -0.04 7.69 7.71 2ok8A1 PHE 303 H 0.18 0.19 0.13 -0.55 8.34 8.28 2ok8A1 PHE 303 HA 0.09 0.09 0.75 -0.75 4.62 4.80 2ok8A1 PHE 303 HB2 0.09 0.27 -0.33 -0.04 3.15 3.13 2ok8A1 PHE 303 HB3 0.06 -0.03 0.07 -0.04 3.06 3.12 2ok8A1 PHE 303 HD2 0.13 0.04 -0.05 -0.04 7.28 7.35 2ok8A1 PHE 303 HE2 0.14 0.01 -0.16 -0.04 7.38 7.33 2ok8A1 PHE 303 HZ 0.03 -0.00 -0.12 -0.04 7.32 7.19 2ok8A1 ASP 304 H -0.26 0.14 0.12 -0.55 8.40 7.85 2ok8A1 ASP 304 HA -0.17 0.28 0.89 -0.75 4.63 4.87 2ok8A1 ASP 304 HB2 -0.09 -0.11 0.19 -0.04 2.71 2.66 2ok8A1 ASP 304 HB3 -0.06 0.12 -0.01 -0.04 2.70 2.71 2ok8A1 GLU 305 H -0.12 0.21 0.17 -0.55 8.60 8.32 2ok8A1 GLU 305 HA -0.17 0.11 0.42 -0.75 4.29 3.90 2ok8A1 GLU 305 HB2 -0.07 -0.00 0.12 -0.04 2.09 2.10 2ok8A1 GLU 305 HB3 -0.06 0.07 0.06 -0.04 1.99 2.02 2ok8A1 GLU 305 HG2 -0.07 -0.03 0.07 -0.04 2.34 2.27 2ok8A1 GLU 305 HG3 -0.04 0.04 0.06 -0.04 2.34 2.35 2ok8A1 LYS 306 H -0.10 0.04 -0.19 -0.55 8.42 7.62 2ok8A1 LYS 306 HA -0.06 0.15 0.55 -0.75 4.32 4.21 2ok8A1 LYS 306 HB2 -0.06 -0.03 0.08 -0.04 1.87 1.82 2ok8A1 LYS 306 HB3 -0.07 -0.01 -0.00 -0.04 1.79 1.67 2ok8A1 LYS 306 HG2 -0.06 0.08 -0.09 -0.04 1.46 1.36 2ok8A1 LYS 306 HG3 -0.04 0.01 0.06 -0.04 1.46 1.45 2ok8A1 LYS 306 HD2 -0.04 -0.04 0.00 -0.04 1.69 1.58 2ok8A1 LYS 306 HD3 -0.05 0.01 -0.03 -0.04 1.68 1.57 2ok8A1 LYS 306 HE2 -0.05 0.06 -0.02 -0.04 2.99 2.94 2ok8A1 LYS 306 HE3 -0.03 -0.01 -0.00 -0.04 2.99 2.90 2ok8A1 LYS 307 H -0.16 0.08 -0.23 -0.55 8.42 7.55 2ok8A1 LYS 307 HA -0.04 0.21 0.63 -0.75 4.32 4.37 2ok8A1 LYS 307 HB2 -0.22 -0.05 0.16 -0.04 1.87 1.71 2ok8A1 LYS 307 HB3 0.49 0.07 -0.01 -0.04 1.79 2.31 2ok8A1 LYS 307 HG2 -0.06 0.15 0.03 -0.04 1.46 1.53 2ok8A1 LYS 307 HG3 -0.04 -0.12 -0.02 -0.04 1.46 1.24 2ok8A1 LYS 307 HD2 0.11 -0.27 0.02 -0.04 1.69 1.52 2ok8A1 LYS 307 HD3 0.45 0.08 0.05 -0.04 1.68 2.22 2ok8A1 LYS 307 HE2 0.01 0.09 0.03 -0.04 2.99 3.08 2ok8A1 LYS 307 HE3 0.01 -0.09 -0.01 -0.04 2.99 2.86 2ok8A1 LYS 308 H -0.25 0.26 -0.09 -0.55 8.42 7.78 2ok8A1 LYS 308 HA 0.16 0.06 0.46 -0.75 4.32 4.25 2ok8A1 LYS 308 HB2 -0.16 -0.05 0.15 -0.04 1.87 1.76 2ok8A1 LYS 308 HB3 -0.02 0.04 -0.03 -0.04 1.79 1.73 2ok8A1 LYS 308 HG2 0.21 0.01 0.04 -0.04 1.46 1.67 2ok8A1 LYS 308 HG3 -0.18 0.01 -0.06 -0.04 1.46 1.19 2ok8A1 LYS 308 HD2 -0.01 -0.04 -0.03 -0.04 1.69 1.58 2ok8A1 LYS 308 HD3 0.04 0.02 -0.00 -0.04 1.68 1.70 2ok8A1 LYS 308 HE2 0.20 -0.00 -0.03 -0.04 2.99 3.11 2ok8A1 LYS 308 HE3 0.16 0.00 -0.05 -0.04 2.99 3.06 2ok8A1 LYS 309 H -0.03 0.21 -0.51 -0.55 8.42 7.53 2ok8A1 LYS 309 HA -0.02 0.04 0.50 -0.75 4.32 4.09 2ok8A1 LYS 309 HB2 -0.02 0.19 0.05 -0.04 1.87 2.05 2ok8A1 LYS 309 HB3 0.00 -0.04 0.08 -0.04 1.79 1.79 2ok8A1 LYS 309 HG2 -0.02 -0.04 0.05 -0.04 1.46 1.41 2ok8A1 LYS 309 HG3 -0.03 0.08 0.16 -0.04 1.46 1.62 2ok8A1 LYS 309 HD2 -0.02 -0.02 0.04 -0.04 1.69 1.65 2ok8A1 LYS 309 HD3 -0.00 -0.00 0.04 -0.04 1.68 1.68 2ok8A1 LYS 309 HE2 -0.01 0.00 0.01 -0.04 2.99 2.95 2ok8A1 LYS 309 HE3 -0.02 -0.05 -0.01 -0.04 2.99 2.88 2ok8A1 ARG 310 H 0.04 0.40 -0.50 -0.55 8.46 7.85 2ok8A1 ARG 310 HA -0.03 0.12 0.77 -0.75 4.34 4.44 2ok8A1 ARG 310 HB2 0.04 0.15 0.15 -0.04 1.90 2.20 2ok8A1 ARG 310 HB3 0.07 0.05 0.28 -0.04 1.80 2.17 2ok8A1 ARG 310 HG2 0.00 -0.05 -0.03 -0.04 1.67 1.55 2ok8A1 ARG 310 HG3 -0.05 -0.04 -0.04 -0.04 1.67 1.51 2ok8A1 ARG 310 HD2 -0.16 0.26 -0.13 -0.04 3.22 3.15 2ok8A1 ARG 310 HD3 -0.11 -0.05 -0.03 -0.04 3.22 3.00 2ok8A1 VAL 311 H -0.09 0.39 -0.35 -0.55 8.24 7.64 2ok8A1 VAL 311 HA -0.05 0.24 1.00 -0.75 4.13 4.57 2ok8A1 VAL 311 HB 0.06 0.05 0.17 -0.04 2.12 2.35 2ok8A1 VAL 311 HG13 0.04 -0.04 -0.17 -0.04 0.97 0.76 2ok8A1 VAL 311 HG23 0.17 0.01 -0.09 -0.04 0.95 1.01 2ok8A1 HIS 312 H -0.13 0.95 0.40 -0.55 8.41 9.09 2ok8A1 HIS 312 HA 0.07 0.12 0.91 -0.75 4.63 4.97 2ok8A1 HIS 312 HB2 -0.80 -0.07 0.06 -0.04 3.26 2.41 2ok8A1 HIS 312 HB3 -0.08 -0.03 0.03 -0.04 3.20 3.07 2ok8A1 HIS 312 HD2 -0.78 0.01 -0.27 -0.04 6.97 5.89 2ok8A1 HIS 312 HE1 0.00 0.02 -0.01 -0.04 7.75 7.73 2ok8A1 VAL 313 H 0.31 0.23 0.18 -0.55 8.24 8.40 2ok8A1 VAL 313 HA 0.32 0.27 1.13 -0.75 4.13 5.09 2ok8A1 VAL 313 HB 0.13 -0.01 0.07 -0.04 2.12 2.27 2ok8A1 VAL 313 HG13 0.08 -0.04 -0.13 -0.04 0.97 0.84 2ok8A1 VAL 313 HG23 0.12 0.04 -0.28 -0.04 0.95 0.78 2ok8A1 GLU 314 H -0.12 0.82 0.32 -0.55 8.60 9.07 2ok8A1 GLU 314 HA -0.10 0.11 0.79 -0.75 4.29 4.35 2ok8A1 GLU 314 HB2 -1.18 0.03 0.04 -0.04 2.09 0.93 2ok8A1 GLU 314 HB3 -1.28 0.01 0.29 -0.04 1.99 0.96 2ok8A1 GLU 314 HG2 -0.35 -0.03 0.03 -0.04 2.34 1.95 2ok8A1 GLU 314 HG3 -0.11 -0.00 -0.10 -0.04 2.34 2.09 2ok8A1 VAL 315 H 0.00 0.21 0.07 -0.55 8.24 7.98 2ok8A1 VAL 315 HA -0.16 0.22 1.14 -0.75 4.13 4.57 2ok8A1 VAL 315 HB -0.11 -0.10 -0.08 -0.04 2.12 1.79 2ok8A1 VAL 315 HG13 -0.04 -0.01 -0.32 -0.04 0.97 0.55 2ok8A1 VAL 315 HG23 0.00 0.01 -0.05 -0.04 0.95 0.87 2ok8A1 TYR 316 H -0.32 0.42 0.16 -0.55 8.29 7.99 2ok8A1 TYR 316 HA -0.06 0.19 0.43 -0.75 4.56 4.36 2ok8A1 TYR 316 HB2 -0.04 0.02 0.07 -0.04 3.06 3.06 2ok8A1 TYR 316 HB3 -0.06 0.21 -0.13 -0.04 2.98 2.96 2ok8A1 TYR 316 HD2 -0.02 0.03 -0.22 -0.04 7.15 6.90 2ok8A1 TYR 316 HE2 -0.00 0.02 -0.02 -0.04 6.85 6.80