============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 56 rings ring int. center anis. iso. PHE 16 1.000 22.469 28.085 12.065 -99.200 -91.000 PHE 39 1.000 34.580 25.908 28.718 -99.200 -91.000 PHE 40 1.000 28.508 30.200 23.451 -99.200 -91.000 TYR 41 0.840 26.440 22.692 27.336 -99.200 -91.000 HIS 45 0.900 22.635 21.618 18.007 -99.200 -91.000 PHE 59 1.000 35.844 4.740 13.365 -99.200 -91.000 HIS 60 0.900 34.906 6.111 18.995 -99.200 -91.000 TRP 69 1.040 48.645 -2.387 15.093 -99.200 -91.000 TRP6 69 1.020 49.984 -0.985 16.442 -99.200 -91.000 TYR 76 0.840 49.415 6.083 19.243 -99.200 -91.000 HIS 80 0.900 50.276 4.351 8.513 -99.200 -91.000 TYR 88 0.840 41.394 4.426 16.207 -99.200 -91.000 TYR 89 0.840 45.459 11.398 17.206 -99.200 -91.000 PHE 101 1.000 39.146 8.503 11.606 -99.200 -91.000 TYR 103 0.840 36.176 13.479 10.247 -99.200 -91.000 PHE 108 1.000 42.983 20.762 3.788 -99.200 -91.000 HIS 112 0.900 43.546 22.150 -0.984 -99.200 -91.000 HIS 122 0.900 47.531 23.005 4.555 -99.200 -91.000 TRP 127 1.040 38.253 9.017 4.913 -99.200 -91.000 TRP6 127 1.020 36.891 9.776 6.677 -99.200 -91.000 HIS 133 0.900 34.645 0.398 10.452 -99.200 -91.000 PHE 136 1.000 33.706 6.649 10.426 -99.200 -91.000 PHE 139 1.000 28.558 10.241 11.173 -99.200 -91.000 TYR 143 0.840 29.804 16.242 13.364 -99.200 -91.000 TYR 144 0.840 35.785 19.424 8.143 -99.200 -91.000 TRP 145 1.040 31.717 19.405 3.992 -99.200 -91.000 TRP6 145 1.020 33.430 21.045 4.068 -99.200 -91.000 PHE 148 1.000 32.907 25.802 6.905 -99.200 -91.000 TYR 158 0.840 32.718 33.276 19.973 -99.200 -91.000 PHE 168 1.000 37.533 41.103 12.516 -99.200 -91.000 PHE 169 1.000 36.639 36.701 14.922 -99.200 -91.000 HIS 172 0.900 40.093 36.474 7.472 -99.200 -91.000 PHE 173 1.000 35.149 27.670 9.744 -99.200 -91.000 TYR 187 0.840 38.141 10.882 27.510 -99.200 -91.000 TYR 189 0.840 33.066 -0.310 33.407 -99.200 -91.000 TYR 193 0.840 40.078 4.313 33.630 -99.200 -91.000 PHE 209 1.000 44.405 16.366 27.348 -99.200 -91.000 TRP 211 1.040 47.485 23.131 34.049 -99.200 -91.000 TRP6 211 1.020 48.216 24.937 32.694 -99.200 -91.000 HIS 212 0.900 43.095 21.313 27.582 -99.200 -91.000 TYR 222 0.840 26.769 15.011 21.271 -99.200 -91.000 TYR 237 0.840 41.079 23.874 37.566 -99.200 -91.000 TYR 247 0.840 27.395 20.467 18.282 -99.200 -91.000 TYR 254 0.840 44.836 33.260 15.226 -99.200 -91.000 HIS 257 0.900 47.815 36.780 17.966 -99.200 -91.000 TYR 262 0.840 36.415 42.560 25.778 -99.200 -91.000 TYR 263 0.840 34.868 38.063 23.486 -99.200 -91.000 HIS 268 0.900 39.359 23.650 28.206 -99.200 -91.000 TRP 272 1.040 39.178 7.737 36.121 -99.200 -91.000 TRP6 272 1.020 38.351 6.935 38.185 -99.200 -91.000 PHE 282 1.000 34.619 21.821 12.759 -99.200 -91.000 PHE 283 1.000 40.075 20.571 19.052 -99.200 -91.000 TYR 288 0.840 50.714 27.249 6.364 -99.200 -91.000 PHE 295 1.000 39.799 42.550 17.292 -99.200 -91.000 TYR 311 0.840 44.148 29.209 13.092 -99.200 -91.000 TYR 314 0.840 46.955 29.336 17.431 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1oc1A1 SER 3 HA 0.01 -0.05 0.17 -0.75 4.49 3.87 1oc1A1 SER 3 HB2 0.01 -0.02 0.04 -0.04 3.95 3.93 1oc1A1 SER 3 HB3 0.01 -0.02 0.01 -0.04 3.93 3.89 1oc1A1 VAL 4 H 0.01 0.07 0.07 -0.55 8.24 7.84 1oc1A1 VAL 4 HA 0.02 0.19 0.47 -0.75 4.13 4.06 1oc1A1 VAL 4 HB 0.01 -0.07 0.05 -0.04 2.12 2.08 1oc1A1 VAL 4 HG13 0.04 0.07 -0.11 -0.04 0.97 0.93 1oc1A1 VAL 4 HG23 0.02 -0.00 -0.07 -0.04 0.95 0.86 1oc1A1 SER 5 H 0.02 0.19 0.17 -0.55 8.46 8.29 1oc1A1 SER 5 HA 0.01 0.04 0.36 -0.75 4.49 4.14 1oc1A1 SER 5 HB2 0.01 0.00 -0.01 -0.04 3.95 3.91 1oc1A1 SER 5 HB3 0.01 0.04 0.05 -0.04 3.93 3.98 1oc1A1 LYS 6 H 0.01 0.09 0.19 -0.55 8.42 8.15 1oc1A1 LYS 6 HA 0.00 0.12 0.74 -0.75 4.32 4.42 1oc1A1 LYS 6 HB2 0.00 -0.01 0.12 -0.04 1.87 1.95 1oc1A1 LYS 6 HB3 0.01 -0.06 0.16 -0.04 1.79 1.86 1oc1A1 LYS 6 HG2 0.01 0.05 -0.20 -0.04 1.46 1.28 1oc1A1 LYS 6 HG3 0.01 0.03 0.07 -0.04 1.46 1.53 1oc1A1 LYS 6 HD2 0.01 -0.03 0.02 -0.04 1.69 1.64 1oc1A1 LYS 6 HD3 0.01 -0.03 0.02 -0.04 1.68 1.63 1oc1A1 LYS 6 HE2 0.01 -0.04 -0.00 -0.04 2.99 2.92 1oc1A1 LYS 6 HE3 0.02 0.02 -0.03 -0.04 2.99 2.96 1oc1A1 ALA 7 H -0.01 0.71 0.18 -0.55 8.40 8.73 1oc1A1 ALA 7 HA 0.00 0.05 0.57 -0.75 4.34 4.20 1oc1A1 ALA 7 HB3 -0.03 0.01 -0.16 -0.04 1.41 1.19 1oc1A1 ASN 8 H 0.02 0.13 0.11 -0.55 8.53 8.25 1oc1A1 ASN 8 HA 0.03 0.04 0.57 -0.75 4.76 4.65 1oc1A1 ASN 8 HB2 0.02 -0.03 0.24 -0.04 2.88 3.07 1oc1A1 ASN 8 HB3 0.03 0.01 0.02 -0.04 2.79 2.80 1oc1A1 ASN 8 HD21 0.01 -0.00 0.02 -0.04 7.03 7.02 1oc1A1 ASN 8 HD22 0.01 0.01 0.04 -0.04 7.74 7.76 1oc1A1 VAL 9 H 0.06 0.24 0.06 -0.55 8.24 8.05 1oc1A1 VAL 9 HA 0.10 0.36 0.80 -0.75 4.13 4.64 1oc1A1 VAL 9 HB 0.11 -0.04 0.07 -0.04 2.12 2.22 1oc1A1 VAL 9 HG13 -0.00 -0.00 -0.33 -0.04 0.97 0.59 1oc1A1 VAL 9 HG23 0.00 0.01 -0.37 -0.04 0.95 0.55 1oc1A1 PRO 10 HA 0.09 0.03 0.42 -0.51 4.44 4.47 1oc1A1 PRO 10 HB2 0.04 0.05 -0.08 -0.04 2.28 2.25 1oc1A1 PRO 10 HB3 0.04 0.01 0.06 -0.04 2.02 2.08 1oc1A1 PRO 10 HG2 0.07 0.00 0.06 -0.04 2.03 2.12 1oc1A1 PRO 10 HG3 0.02 0.06 0.05 -0.04 2.03 2.11 1oc1A1 PRO 10 HD2 0.14 0.38 0.32 -0.04 3.68 4.49 1oc1A1 PRO 10 HD3 0.07 0.14 -0.06 -0.04 3.65 3.76 1oc1A1 LYS 11 H 0.10 0.13 0.19 -0.55 8.42 8.29 1oc1A1 LYS 11 HA 0.24 0.24 0.91 -0.75 4.32 4.96 1oc1A1 LYS 11 HB2 0.07 -0.03 0.17 -0.04 1.87 2.04 1oc1A1 LYS 11 HB3 0.10 -0.05 -0.01 -0.04 1.79 1.78 1oc1A1 LYS 11 HG2 0.15 0.05 -0.06 -0.04 1.46 1.56 1oc1A1 LYS 11 HG3 0.10 0.04 0.02 -0.04 1.46 1.58 1oc1A1 LYS 11 HD2 0.01 -0.03 0.01 -0.04 1.69 1.64 1oc1A1 LYS 11 HD3 -0.03 -0.06 -0.04 -0.04 1.68 1.51 1oc1A1 LYS 11 HE2 0.01 0.04 0.00 -0.04 2.99 2.99 1oc1A1 LYS 11 HE3 -0.05 -0.04 -0.00 -0.04 2.99 2.86 1oc1A1 ILE 12 H 0.24 0.92 0.33 -0.55 8.25 9.20 1oc1A1 ILE 12 HA 0.04 0.12 0.90 -0.75 4.18 4.49 1oc1A1 ILE 12 HB 0.08 0.02 0.03 -0.04 1.89 1.98 1oc1A1 ILE 12 HG12 -0.09 0.01 -0.19 -0.04 1.49 1.18 1oc1A1 ILE 12 HG13 0.03 -0.02 -0.47 -0.04 1.21 0.71 1oc1A1 ILE 12 HG23 -0.10 0.00 -0.21 -0.04 0.93 0.58 1oc1A1 ILE 12 HD13 -0.64 0.02 -0.24 -0.04 0.88 -0.03 1oc1A1 ASP 13 H 0.04 0.21 0.11 -0.55 8.40 8.22 1oc1A1 ASP 13 HA 0.08 0.10 0.56 -0.75 4.63 4.62 1oc1A1 ASP 13 HB2 0.04 0.02 0.08 -0.04 2.71 2.82 1oc1A1 ASP 13 HB3 0.03 0.04 0.21 -0.04 2.70 2.93 1oc1A1 VAL 14 H 0.13 0.56 0.28 -0.55 8.24 8.67 1oc1A1 VAL 14 HA 0.04 0.17 0.78 -0.75 4.13 4.36 1oc1A1 VAL 14 HB 0.02 -0.04 0.08 -0.04 2.12 2.15 1oc1A1 VAL 14 HG13 0.15 0.05 -0.06 -0.04 0.97 1.07 1oc1A1 VAL 14 HG23 0.23 0.07 -0.12 -0.04 0.95 1.09 1oc1A1 SER 15 H 0.13 0.05 -0.16 -0.55 8.46 7.93 1oc1A1 SER 15 HA 0.46 0.11 0.36 -0.75 4.49 4.66 1oc1A1 SER 15 HB2 0.13 -0.03 0.05 -0.04 3.95 4.06 1oc1A1 SER 15 HB3 0.12 0.12 0.18 -0.04 3.93 4.31 1oc1A1 PRO 16 HA 0.07 -0.02 0.42 -0.51 4.44 4.40 1oc1A1 PRO 16 HB2 0.01 0.11 -0.17 -0.04 2.28 2.20 1oc1A1 PRO 16 HB3 0.03 -0.07 -0.06 -0.04 2.02 1.87 1oc1A1 PRO 16 HG2 0.02 0.10 -0.01 -0.04 2.03 2.09 1oc1A1 PRO 16 HG3 0.04 -0.02 -0.02 -0.04 2.03 1.98 1oc1A1 PRO 16 HD2 0.04 0.26 -0.21 -0.04 3.68 3.74 1oc1A1 PRO 16 HD3 0.07 -0.02 -0.09 -0.04 3.65 3.56 1oc1A1 LEU 17 H -0.02 0.47 -0.35 -0.55 8.37 7.92 1oc1A1 LEU 17 HA -0.05 0.04 0.39 -0.75 4.35 3.97 1oc1A1 LEU 17 HB2 -0.30 0.14 0.03 -0.04 1.64 1.47 1oc1A1 LEU 17 HB3 -0.20 0.03 0.09 -0.04 1.64 1.52 1oc1A1 LEU 17 HG -0.06 -0.06 0.01 -0.04 1.64 1.50 1oc1A1 LEU 17 HD13 -0.07 0.01 -0.06 -0.04 0.93 0.77 1oc1A1 LEU 17 HD23 -0.04 -0.01 -0.06 -0.04 0.89 0.75 1oc1A1 PHE 18 H 0.13 0.44 -0.33 -0.55 8.34 8.03 1oc1A1 PHE 18 HA 0.04 0.15 0.87 -0.75 4.62 4.93 1oc1A1 PHE 18 HB2 0.04 0.08 0.06 -0.04 3.15 3.29 1oc1A1 PHE 18 HB3 0.04 -0.06 0.08 -0.04 3.06 3.08 1oc1A1 PHE 18 HD2 0.05 0.03 0.05 -0.04 7.28 7.37 1oc1A1 PHE 18 HE2 0.06 -0.03 -0.15 -0.04 7.38 7.23 1oc1A1 PHE 18 HZ 0.06 -0.01 0.01 -0.04 7.32 7.34 1oc1A1 GLY 19 H 0.11 0.34 -0.20 -0.55 8.43 8.14 1oc1A1 GLY 19 HA2 0.09 0.17 0.72 -0.51 4.01 4.47 1oc1A1 GLY 19 HA3 0.08 -0.12 0.33 -0.51 4.01 3.79 1oc1A1 ASP 20 H 0.04 0.07 0.12 -0.55 8.40 8.09 1oc1A1 ASP 20 HA 0.03 0.29 0.78 -0.75 4.63 4.97 1oc1A1 ASP 20 HB2 0.03 -0.02 0.07 -0.04 2.71 2.75 1oc1A1 ASP 20 HB3 0.02 -0.02 0.17 -0.04 2.70 2.84 1oc1A1 ASP 21 H 0.03 0.16 -0.05 -0.55 8.40 7.99 1oc1A1 ASP 21 HA 0.01 0.14 0.78 -0.75 4.63 4.81 1oc1A1 ASP 21 HB2 0.02 0.06 0.10 -0.04 2.71 2.85 1oc1A1 ASP 21 HB3 0.02 0.03 0.20 -0.04 2.70 2.91 1oc1A1 GLN 22 H 0.01 0.27 0.15 -0.55 8.47 8.35 1oc1A1 GLN 22 HA 0.01 0.14 0.21 -0.75 4.36 3.96 1oc1A1 GLN 22 HB2 0.00 -0.04 0.12 -0.04 2.15 2.20 1oc1A1 GLN 22 HB3 0.00 0.06 0.03 -0.04 2.02 2.07 1oc1A1 GLN 22 HG2 0.01 0.05 0.10 -0.04 2.40 2.52 1oc1A1 GLN 22 HG3 0.01 0.03 0.04 -0.04 2.39 2.42 1oc1A1 GLN 22 HE21 0.02 0.02 -0.01 -0.04 6.97 6.96 1oc1A1 GLN 22 HE22 0.01 0.10 0.07 -0.04 7.69 7.83 1oc1A1 ALA 23 H 0.00 0.11 -0.02 -0.55 8.40 7.95 1oc1A1 ALA 23 HA -0.00 0.14 0.45 -0.75 4.34 4.17 1oc1A1 ALA 23 HB3 0.00 0.02 0.07 -0.04 1.41 1.46 1oc1A1 ALA 24 H 0.01 0.05 -0.30 -0.55 8.40 7.62 1oc1A1 ALA 24 HA 0.00 0.05 0.37 -0.75 4.34 4.01 1oc1A1 ALA 24 HB3 0.01 0.04 0.08 -0.04 1.41 1.49 1oc1A1 LYS 25 H 0.00 0.35 -0.33 -0.55 8.42 7.90 1oc1A1 LYS 25 HA -0.01 -0.01 0.31 -0.75 4.32 3.86 1oc1A1 LYS 25 HB2 0.00 0.09 0.10 -0.04 1.87 2.02 1oc1A1 LYS 25 HB3 -0.01 -0.00 -0.08 -0.04 1.79 1.66 1oc1A1 LYS 25 HG2 -0.01 -0.03 -0.19 -0.04 1.46 1.19 1oc1A1 LYS 25 HG3 0.01 -0.04 -0.22 -0.04 1.46 1.17 1oc1A1 LYS 25 HD2 0.02 -0.09 -0.33 -0.04 1.69 1.24 1oc1A1 LYS 25 HD3 0.01 -0.10 -0.14 -0.04 1.68 1.41 1oc1A1 LYS 25 HE2 0.00 -0.07 -0.05 -0.04 2.99 2.84 1oc1A1 LYS 25 HE3 0.01 0.18 -0.04 -0.04 2.99 3.10 1oc1A1 MET 26 H -0.01 0.47 -0.11 -0.55 8.47 8.27 1oc1A1 MET 26 HA -0.01 0.05 0.45 -0.75 4.52 4.26 1oc1A1 MET 26 HB2 -0.01 0.08 0.20 -0.04 2.15 2.38 1oc1A1 MET 26 HB3 -0.01 -0.01 0.03 -0.04 2.03 2.00 1oc1A1 MET 26 HG2 -0.00 0.15 0.06 -0.04 2.63 2.79 1oc1A1 MET 26 HG3 -0.01 -0.06 -0.00 -0.04 2.56 2.45 1oc1A1 MET 26 HE3 -0.01 0.01 -0.01 -0.04 2.10 2.05 1oc1A1 ARG 27 H -0.01 0.47 -0.17 -0.55 8.46 8.19 1oc1A1 ARG 27 HA -0.02 0.04 0.44 -0.75 4.34 4.05 1oc1A1 ARG 27 HB2 -0.01 0.08 0.15 -0.04 1.90 2.08 1oc1A1 ARG 27 HB3 -0.02 -0.03 0.03 -0.04 1.80 1.74 1oc1A1 ARG 27 HG2 -0.01 -0.00 0.02 -0.04 1.67 1.64 1oc1A1 ARG 27 HG3 -0.01 0.09 0.02 -0.04 1.67 1.74 1oc1A1 ARG 27 HD2 -0.01 -0.00 0.00 -0.04 3.22 3.17 1oc1A1 ARG 27 HD3 -0.00 -0.01 -0.02 -0.04 3.22 3.14 1oc1A1 VAL 28 H -0.03 0.44 -0.17 -0.55 8.24 7.92 1oc1A1 VAL 28 HA -0.07 0.01 0.51 -0.75 4.13 3.82 1oc1A1 VAL 28 HB -0.05 0.15 0.15 -0.04 2.12 2.34 1oc1A1 VAL 28 HG13 -0.09 -0.03 -0.12 -0.04 0.97 0.69 1oc1A1 VAL 28 HG23 -0.02 0.03 0.07 -0.04 0.95 1.00 1oc1A1 ALA 29 H -0.05 0.60 -0.07 -0.55 8.40 8.34 1oc1A1 ALA 29 HA -0.11 -0.02 0.38 -0.75 4.34 3.84 1oc1A1 ALA 29 HB3 -0.02 0.03 0.08 -0.04 1.41 1.46 1oc1A1 GLN 30 H -0.04 0.58 -0.21 -0.55 8.47 8.25 1oc1A1 GLN 30 HA -0.02 0.06 0.42 -0.75 4.36 4.07 1oc1A1 GLN 30 HB2 -0.02 0.04 0.11 -0.04 2.15 2.25 1oc1A1 GLN 30 HB3 -0.03 0.10 0.14 -0.04 2.02 2.18 1oc1A1 GLN 30 HG2 -0.01 0.01 0.06 -0.04 2.40 2.43 1oc1A1 GLN 30 HG3 -0.01 -0.03 0.01 -0.04 2.39 2.31 1oc1A1 GLN 30 HE21 -0.03 -0.03 -0.06 -0.04 6.97 6.82 1oc1A1 GLN 30 HE22 -0.01 0.03 -0.01 -0.04 7.69 7.66 1oc1A1 GLN 31 H -0.10 0.40 -0.20 -0.55 8.47 8.03 1oc1A1 GLN 31 HA -0.11 -0.01 0.43 -0.75 4.36 3.92 1oc1A1 GLN 31 HB2 -0.17 0.11 0.13 -0.04 2.15 2.18 1oc1A1 GLN 31 HB3 -0.15 -0.07 0.02 -0.04 2.02 1.77 1oc1A1 GLN 31 HG2 -0.06 -0.05 0.04 -0.04 2.40 2.29 1oc1A1 GLN 31 HG3 -0.07 0.26 0.15 -0.04 2.39 2.69 1oc1A1 GLN 31 HE21 -0.02 -0.05 0.07 -0.04 6.97 6.93 1oc1A1 GLN 31 HE22 -0.04 0.00 -0.00 -0.04 7.69 7.61 1oc1A1 ILE 32 H -0.27 0.54 -0.15 -0.55 8.25 7.82 1oc1A1 ILE 32 HA -0.72 -0.01 0.43 -0.75 4.18 3.13 1oc1A1 ILE 32 HB -0.34 0.15 0.06 -0.04 1.89 1.73 1oc1A1 ILE 32 HG12 -1.04 -0.04 -0.08 -0.04 1.49 0.29 1oc1A1 ILE 32 HG13 -0.50 0.06 -0.05 -0.04 1.21 0.68 1oc1A1 ILE 32 HG23 -0.83 -0.02 -0.21 -0.04 0.93 -0.17 1oc1A1 ILE 32 HD13 -0.29 -0.02 -0.11 -0.04 0.88 0.42 1oc1A1 ASP 33 H -0.13 0.65 -0.11 -0.55 8.40 8.26 1oc1A1 ASP 33 HA -0.10 0.02 0.39 -0.75 4.63 4.19 1oc1A1 ASP 33 HB2 0.13 0.03 0.12 -0.04 2.71 2.95 1oc1A1 ASP 33 HB3 0.01 0.09 0.21 -0.04 2.70 2.98 1oc1A1 ALA 34 H -0.10 0.56 -0.11 -0.55 8.40 8.21 1oc1A1 ALA 34 HA -0.05 0.04 0.31 -0.75 4.34 3.89 1oc1A1 ALA 34 HB3 -0.05 -0.00 0.09 -0.04 1.41 1.41 1oc1A1 ALA 35 H -0.16 0.57 -0.12 -0.55 8.40 8.15 1oc1A1 ALA 35 HA -0.03 -0.04 0.49 -0.75 4.34 4.00 1oc1A1 ALA 35 HB3 -0.05 0.04 0.05 -0.04 1.41 1.40 1oc1A1 SER 36 H -0.25 0.62 -0.28 -0.55 8.46 8.00 1oc1A1 SER 36 HA -0.16 -0.06 0.20 -0.75 4.49 3.73 1oc1A1 SER 36 HB2 -1.00 0.13 0.09 -0.04 3.95 3.14 1oc1A1 SER 36 HB3 -0.93 -0.08 0.03 -0.04 3.93 2.91 1oc1A1 ARG 37 H -0.17 0.35 -0.36 -0.55 8.46 7.73 1oc1A1 ARG 37 HA -0.13 0.17 0.79 -0.75 4.34 4.42 1oc1A1 ARG 37 HB2 -0.10 0.09 0.11 -0.04 1.90 1.96 1oc1A1 ARG 37 HB3 -0.11 -0.10 0.10 -0.04 1.80 1.65 1oc1A1 ARG 37 HG2 -0.40 0.03 0.09 -0.04 1.67 1.35 1oc1A1 ARG 37 HG3 -0.20 -0.01 -0.09 -0.04 1.67 1.34 1oc1A1 ARG 37 HD2 -0.46 -0.03 -0.05 -0.04 3.22 2.64 1oc1A1 ARG 37 HD3 -0.01 0.02 -0.07 -0.04 3.22 3.11 1oc1A1 ASP 38 H -0.07 0.23 -0.28 -0.55 8.40 7.73 1oc1A1 ASP 38 HA -0.03 0.11 0.88 -0.75 4.63 4.84 1oc1A1 ASP 38 HB2 -0.02 0.04 0.12 -0.04 2.71 2.80 1oc1A1 ASP 38 HB3 -0.01 -0.02 0.32 -0.04 2.70 2.95 1oc1A1 THR 39 H 0.03 0.14 0.25 -0.55 8.28 8.15 1oc1A1 THR 39 HA 0.04 0.10 0.59 -0.75 4.39 4.36 1oc1A1 THR 39 HB 0.11 -0.02 0.05 -0.04 4.32 4.43 1oc1A1 THR 39 HG23 0.03 -0.05 0.11 -0.04 1.22 1.27 1oc1A1 GLY 40 H 0.02 0.33 -0.04 -0.55 8.43 8.20 1oc1A1 GLY 40 HA2 -0.07 0.08 0.28 -0.51 4.01 3.79 1oc1A1 GLY 40 HA3 -0.09 0.12 0.60 -0.51 4.01 4.13 1oc1A1 PHE 41 H 0.18 0.08 -0.02 -0.55 8.34 8.02 1oc1A1 PHE 41 HA -0.09 0.43 1.03 -0.75 4.62 5.24 1oc1A1 PHE 41 HB2 -0.06 -0.06 -0.03 -0.04 3.15 2.96 1oc1A1 PHE 41 HB3 -0.16 -0.05 -0.04 -0.04 3.06 2.77 1oc1A1 PHE 41 HD2 -0.15 0.01 -0.24 -0.04 7.28 6.85 1oc1A1 PHE 41 HE2 -0.19 -0.01 -0.18 -0.04 7.38 6.96 1oc1A1 PHE 41 HZ -0.85 -0.01 -0.16 -0.04 7.32 6.26 1oc1A1 PHE 42 H -0.23 0.54 0.33 -0.55 8.34 8.43 1oc1A1 PHE 42 HA 0.01 0.09 0.14 -0.75 4.62 4.11 1oc1A1 PHE 42 HB2 0.02 0.11 0.12 -0.04 3.15 3.37 1oc1A1 PHE 42 HB3 -0.02 0.07 0.11 -0.04 3.06 3.18 1oc1A1 PHE 42 HD2 -0.02 0.06 -0.43 -0.04 7.28 6.85 1oc1A1 PHE 42 HE2 -0.05 -0.01 -0.15 -0.04 7.38 7.13 1oc1A1 PHE 42 HZ -0.11 -0.02 -0.10 -0.04 7.32 7.04 1oc1A1 TYR 43 H 0.32 0.67 0.18 -0.55 8.29 8.91 1oc1A1 TYR 43 HA 0.04 0.34 0.97 -0.75 4.56 5.15 1oc1A1 TYR 43 HB2 0.11 0.03 0.05 -0.04 3.06 3.21 1oc1A1 TYR 43 HB3 0.11 -0.10 -0.15 -0.04 2.98 2.80 1oc1A1 TYR 43 HD2 0.05 0.03 -0.34 -0.04 7.15 6.85 1oc1A1 TYR 43 HE2 -0.03 0.10 -0.14 -0.04 6.85 6.73 1oc1A1 ALA 44 H 0.19 0.68 0.30 -0.55 8.40 9.03 1oc1A1 ALA 44 HA 0.35 0.23 0.88 -0.75 4.34 5.04 1oc1A1 ALA 44 HB3 0.27 -0.01 0.14 -0.04 1.41 1.77 1oc1A1 VAL 45 H 0.21 0.66 0.22 -0.55 8.24 8.78 1oc1A1 VAL 45 HA 0.18 0.17 0.80 -0.75 4.13 4.52 1oc1A1 VAL 45 HB 0.04 -0.08 0.08 -0.04 2.12 2.12 1oc1A1 VAL 45 HG13 0.11 0.03 -0.21 -0.04 0.97 0.86 1oc1A1 VAL 45 HG23 0.08 0.01 -0.31 -0.04 0.95 0.69 1oc1A1 ASN 46 H -0.09 0.18 0.13 -0.55 8.53 8.21 1oc1A1 ASN 46 HA -0.09 0.02 0.35 -0.75 4.76 4.28 1oc1A1 ASN 46 HB2 0.07 0.00 0.16 -0.04 2.88 3.07 1oc1A1 ASN 46 HB3 0.04 0.03 0.25 -0.04 2.79 3.07 1oc1A1 ASN 46 HD21 0.02 0.07 -0.05 -0.04 7.03 7.03 1oc1A1 ASN 46 HD22 0.04 -0.04 -0.20 -0.04 7.74 7.51 1oc1A1 HIS 47 H -0.55 0.10 -0.11 -0.55 8.41 7.31 1oc1A1 HIS 47 HA 0.31 0.19 0.27 -0.75 4.63 4.65 1oc1A1 HIS 47 HB2 0.18 0.04 0.01 -0.04 3.26 3.45 1oc1A1 HIS 47 HB3 0.24 0.07 -0.14 -0.04 3.20 3.32 1oc1A1 HIS 47 HD2 0.34 0.24 0.12 -0.04 6.97 7.62 1oc1A1 HIS 47 HE1 0.17 0.18 0.08 -0.04 7.75 8.13 1oc1A1 GLY 48 H -0.06 -0.01 -0.21 -0.55 8.43 7.60 1oc1A1 GLY 48 HA2 -0.00 -0.00 0.22 -0.51 4.01 3.71 1oc1A1 GLY 48 HA3 -0.07 0.16 0.36 -0.51 4.01 3.95 1oc1A1 ILE 49 H 0.85 0.01 -0.39 -0.55 8.25 8.18 1oc1A1 ILE 49 HA 0.15 0.18 0.68 -0.75 4.18 4.43 1oc1A1 ILE 49 HB 0.23 -0.03 -0.07 -0.04 1.89 1.98 1oc1A1 ILE 49 HG12 0.06 0.04 -0.17 -0.04 1.49 1.38 1oc1A1 ILE 49 HG13 0.14 0.09 -0.21 -0.04 1.21 1.19 1oc1A1 ILE 49 HG23 0.25 -0.01 -0.28 -0.04 0.93 0.85 1oc1A1 ILE 49 HD13 -0.23 0.02 -0.19 -0.04 0.88 0.44 1oc1A1 ASN 50 H 0.13 0.22 0.10 -0.55 8.53 8.43 1oc1A1 ASN 50 HA 0.09 0.09 0.66 -0.75 4.76 4.84 1oc1A1 ASN 50 HB2 0.07 0.11 0.12 -0.04 2.88 3.14 1oc1A1 ASN 50 HB3 0.09 0.03 0.23 -0.04 2.79 3.10 1oc1A1 ASN 50 HD21 0.02 0.03 0.02 -0.04 7.03 7.06 1oc1A1 ASN 50 HD22 0.04 0.08 0.04 -0.04 7.74 7.86 1oc1A1 VAL 51 H 0.09 0.38 0.14 -0.55 8.24 8.31 1oc1A1 VAL 51 HA -0.16 0.12 0.51 -0.75 4.13 3.84 1oc1A1 VAL 51 HB -0.95 0.04 0.01 -0.04 2.12 1.17 1oc1A1 VAL 51 HG13 -0.11 0.05 -0.15 -0.04 0.97 0.71 1oc1A1 VAL 51 HG23 0.08 0.03 -0.03 -0.04 0.95 0.99 1oc1A1 GLN 52 H -0.01 0.10 -0.03 -0.55 8.47 7.98 1oc1A1 GLN 52 HA -0.03 0.16 0.53 -0.75 4.36 4.27 1oc1A1 GLN 52 HB2 -0.00 -0.05 0.03 -0.04 2.15 2.09 1oc1A1 GLN 52 HB3 -0.00 0.06 -0.01 -0.04 2.02 2.02 1oc1A1 GLN 52 HG2 0.02 0.07 0.05 -0.04 2.40 2.49 1oc1A1 GLN 52 HG3 0.02 -0.05 0.09 -0.04 2.39 2.41 1oc1A1 GLN 52 HE21 0.01 0.03 0.01 -0.04 6.97 6.98 1oc1A1 GLN 52 HE22 0.02 -0.02 0.03 -0.04 7.69 7.68 1oc1A1 ARG 53 H -0.01 0.10 -0.30 -0.55 8.46 7.69 1oc1A1 ARG 53 HA -0.07 0.09 0.45 -0.75 4.34 4.07 1oc1A1 ARG 53 HB2 -0.01 0.00 0.06 -0.04 1.90 1.91 1oc1A1 ARG 53 HB3 0.04 0.09 0.09 -0.04 1.80 1.98 1oc1A1 ARG 53 HG2 -0.08 0.01 -0.25 -0.04 1.67 1.31 1oc1A1 ARG 53 HG3 -0.09 0.00 0.01 -0.04 1.67 1.55 1oc1A1 ARG 53 HD2 0.09 -0.01 0.01 -0.04 3.22 3.26 1oc1A1 ARG 53 HD3 0.18 0.02 -0.04 -0.04 3.22 3.34 1oc1A1 LEU 54 H -0.03 0.31 -0.15 -0.55 8.37 7.95 1oc1A1 LEU 54 HA 0.20 0.04 0.36 -0.75 4.35 4.19 1oc1A1 LEU 54 HB2 -0.10 0.01 0.07 -0.04 1.64 1.58 1oc1A1 LEU 54 HB3 -0.25 0.03 0.15 -0.04 1.64 1.52 1oc1A1 LEU 54 HG -0.22 0.03 -0.38 -0.04 1.64 1.02 1oc1A1 LEU 54 HD13 -0.70 -0.00 -0.01 -0.04 0.93 0.18 1oc1A1 LEU 54 HD23 -0.36 0.01 -0.05 -0.04 0.89 0.45 1oc1A1 SER 55 H -0.14 0.41 -0.36 -0.55 8.46 7.82 1oc1A1 SER 55 HA 0.03 0.06 0.35 -0.75 4.49 4.18 1oc1A1 SER 55 HB2 0.08 0.01 0.04 -0.04 3.95 4.04 1oc1A1 SER 55 HB3 -0.01 0.09 0.14 -0.04 3.93 4.10 1oc1A1 GLN 56 H -0.07 0.38 -0.22 -0.55 8.47 8.01 1oc1A1 GLN 56 HA -0.02 0.04 0.39 -0.75 4.36 4.01 1oc1A1 GLN 56 HB2 -0.06 0.23 0.23 -0.04 2.15 2.51 1oc1A1 GLN 56 HB3 -0.10 0.01 0.07 -0.04 2.02 1.96 1oc1A1 GLN 56 HG2 -0.04 -0.01 -0.02 -0.04 2.40 2.30 1oc1A1 GLN 56 HG3 -0.02 -0.01 0.04 -0.04 2.39 2.37 1oc1A1 GLN 56 HE21 -0.02 -0.02 -0.03 -0.04 6.97 6.86 1oc1A1 GLN 56 HE22 -0.02 0.02 -0.02 -0.04 7.69 7.62 1oc1A1 LYS 57 H -0.25 0.63 -0.12 -0.55 8.42 8.13 1oc1A1 LYS 57 HA -0.17 0.04 0.28 -0.75 4.32 3.72 1oc1A1 LYS 57 HB2 -1.04 0.18 0.10 -0.04 1.87 1.06 1oc1A1 LYS 57 HB3 -1.31 -0.01 -0.02 -0.04 1.79 0.41 1oc1A1 LYS 57 HG2 -0.26 0.02 -0.02 -0.04 1.46 1.16 1oc1A1 LYS 57 HG3 -0.24 -0.03 -0.06 -0.04 1.46 1.08 1oc1A1 LYS 57 HD2 -0.34 -0.02 -0.02 -0.04 1.69 1.27 1oc1A1 LYS 57 HD3 -0.48 -0.02 -0.03 -0.04 1.68 1.12 1oc1A1 LYS 57 HE2 -0.10 -0.01 -0.03 -0.04 2.99 2.81 1oc1A1 LYS 57 HE3 -0.06 -0.03 -0.02 -0.04 2.99 2.83 1oc1A1 THR 58 H -0.06 0.37 -0.28 -0.55 8.28 7.75 1oc1A1 THR 58 HA 0.17 0.02 0.42 -0.75 4.39 4.25 1oc1A1 THR 58 HB 0.07 0.08 0.14 -0.04 4.32 4.57 1oc1A1 THR 58 HG23 0.02 -0.01 -0.16 -0.04 1.22 1.04 1oc1A1 LYS 59 H 0.04 0.54 -0.20 -0.55 8.42 8.24 1oc1A1 LYS 59 HA 0.14 0.02 0.45 -0.75 4.32 4.17 1oc1A1 LYS 59 HB2 0.06 0.14 0.15 -0.04 1.87 2.18 1oc1A1 LYS 59 HB3 0.03 0.09 0.13 -0.04 1.79 2.00 1oc1A1 LYS 59 HG2 0.05 -0.01 -0.12 -0.04 1.46 1.34 1oc1A1 LYS 59 HG3 0.09 -0.02 0.00 -0.04 1.46 1.49 1oc1A1 LYS 59 HD2 0.05 -0.02 -0.03 -0.04 1.69 1.64 1oc1A1 LYS 59 HD3 0.03 -0.01 -0.03 -0.04 1.68 1.63 1oc1A1 LYS 59 HE2 0.02 0.01 -0.04 -0.04 2.99 2.94 1oc1A1 LYS 59 HE3 0.04 0.00 -0.04 -0.04 2.99 2.95 1oc1A1 GLU 60 H 0.02 0.49 -0.13 -0.55 8.60 8.43 1oc1A1 GLU 60 HA 0.02 0.01 0.35 -0.75 4.29 3.91 1oc1A1 GLU 60 HB2 0.01 0.10 0.15 -0.04 2.09 2.31 1oc1A1 GLU 60 HB3 0.06 0.01 -0.08 -0.04 1.99 1.94 1oc1A1 GLU 60 HG2 0.00 -0.01 0.00 -0.04 2.34 2.30 1oc1A1 GLU 60 HG3 -0.00 -0.02 0.02 -0.04 2.34 2.30 1oc1A1 PHE 61 H 0.13 0.45 -0.22 -0.55 8.34 8.14 1oc1A1 PHE 61 HA -0.10 -0.01 0.40 -0.75 4.62 4.17 1oc1A1 PHE 61 HB2 -0.55 -0.04 0.08 -0.04 3.15 2.60 1oc1A1 PHE 61 HB3 -0.25 0.16 0.18 -0.04 3.06 3.11 1oc1A1 PHE 61 HD2 -0.85 0.02 -0.05 -0.04 7.28 6.36 1oc1A1 PHE 61 HE2 -0.42 -0.02 -0.07 -0.04 7.38 6.83 1oc1A1 PHE 61 HZ -0.50 0.01 -0.09 -0.04 7.32 6.70 1oc1A1 HIS 62 H 0.03 0.57 -0.05 -0.55 8.41 8.42 1oc1A1 HIS 62 HA -0.28 -0.00 0.28 -0.75 4.63 3.87 1oc1A1 HIS 62 HB2 0.05 0.05 0.14 -0.04 3.26 3.47 1oc1A1 HIS 62 HB3 0.01 -0.02 -0.08 -0.04 3.20 3.06 1oc1A1 HIS 62 HD2 0.14 -0.03 -0.08 -0.04 6.97 6.95 1oc1A1 HIS 62 HE1 0.14 -0.03 -0.54 -0.04 7.75 7.27 1oc1A1 MET 63 H 0.05 0.57 -0.20 -0.55 8.47 8.34 1oc1A1 MET 63 HA 0.00 0.05 0.50 -0.75 4.52 4.32 1oc1A1 MET 63 HB2 0.03 0.19 0.08 -0.04 2.15 2.40 1oc1A1 MET 63 HB3 0.00 -0.06 -0.02 -0.04 2.03 1.91 1oc1A1 MET 63 HG2 0.04 -0.05 -0.02 -0.04 2.63 2.57 1oc1A1 MET 63 HG3 0.02 -0.06 0.02 -0.04 2.56 2.50 1oc1A1 MET 63 HE3 0.08 -0.01 -0.03 -0.04 2.10 2.08 1oc1A1 SER 64 H -0.06 0.29 -0.31 -0.55 8.46 7.83 1oc1A1 SER 64 HA -0.05 0.11 0.85 -0.75 4.49 4.65 1oc1A1 SER 64 HB2 -0.09 -0.10 0.11 -0.04 3.95 3.83 1oc1A1 SER 64 HB3 -0.03 -0.02 0.03 -0.04 3.93 3.86 1oc1A1 ILE 65 H -0.20 0.42 0.01 -0.55 8.25 7.92 1oc1A1 ILE 65 HA -0.02 -0.08 0.49 -0.75 4.18 3.81 1oc1A1 ILE 65 HB -0.80 0.05 0.10 -0.04 1.89 1.21 1oc1A1 ILE 65 HG12 -0.45 0.07 -0.14 -0.04 1.49 0.93 1oc1A1 ILE 65 HG13 -0.22 -0.17 0.09 -0.04 1.21 0.86 1oc1A1 ILE 65 HG23 -0.42 0.04 -0.02 -0.04 0.93 0.49 1oc1A1 ILE 65 HD13 -0.53 -0.01 -0.13 -0.04 0.88 0.17 1oc1A1 THR 66 H -0.10 -0.04 0.22 -0.55 8.28 7.81 1oc1A1 THR 66 HA -0.11 0.31 0.68 -0.75 4.39 4.52 1oc1A1 THR 66 HB -0.05 -0.01 0.18 -0.04 4.32 4.41 1oc1A1 THR 66 HG23 -0.05 0.06 0.04 -0.04 1.22 1.23 1oc1A1 PRO 67 HA -0.30 0.14 0.49 -0.51 4.44 4.25 1oc1A1 PRO 67 HB2 0.01 -0.02 0.08 -0.04 2.28 2.31 1oc1A1 PRO 67 HB3 -0.09 0.10 0.11 -0.04 2.02 2.09 1oc1A1 PRO 67 HG2 -0.03 0.05 0.11 -0.04 2.03 2.12 1oc1A1 PRO 67 HG3 -0.10 0.12 0.11 -0.04 2.03 2.12 1oc1A1 PRO 67 HD2 -0.05 0.06 0.25 -0.04 3.68 3.90 1oc1A1 PRO 67 HD3 -0.09 0.28 0.22 -0.04 3.65 4.02 1oc1A1 GLU 68 H 0.00 0.14 -0.13 -0.55 8.60 8.07 1oc1A1 GLU 68 HA 0.25 0.12 0.45 -0.75 4.29 4.35 1oc1A1 GLU 68 HB2 0.09 0.05 0.09 -0.04 2.09 2.28 1oc1A1 GLU 68 HB3 0.03 -0.03 0.10 -0.04 1.99 2.05 1oc1A1 GLU 68 HG2 0.06 0.00 -0.32 -0.04 2.34 2.05 1oc1A1 GLU 68 HG3 0.09 0.02 -0.03 -0.04 2.34 2.38 1oc1A1 GLU 69 H -0.05 0.11 -0.21 -0.55 8.60 7.91 1oc1A1 GLU 69 HA 0.04 0.06 0.44 -0.75 4.29 4.08 1oc1A1 GLU 69 HB2 -0.11 0.07 0.15 -0.04 2.09 2.16 1oc1A1 GLU 69 HB3 -0.02 0.01 0.07 -0.04 1.99 2.01 1oc1A1 GLU 69 HG2 0.06 -0.01 0.05 -0.04 2.34 2.40 1oc1A1 GLU 69 HG3 0.01 -0.06 0.08 -0.04 2.34 2.32 1oc1A1 LYS 70 H -0.26 0.41 -0.25 -0.55 8.42 7.78 1oc1A1 LYS 70 HA -0.43 0.02 0.27 -0.75 4.32 3.43 1oc1A1 LYS 70 HB2 -0.57 0.11 0.13 -0.04 1.87 1.50 1oc1A1 LYS 70 HB3 -0.57 -0.01 -0.06 -0.04 1.79 1.12 1oc1A1 LYS 70 HG2 -1.62 -0.02 -0.09 -0.04 1.46 -0.31 1oc1A1 LYS 70 HG3 -0.60 0.08 -0.11 -0.04 1.46 0.78 1oc1A1 LYS 70 HD2 -0.41 -0.05 -0.11 -0.04 1.69 1.07 1oc1A1 LYS 70 HD3 -0.40 -0.03 -0.06 -0.04 1.68 1.15 1oc1A1 LYS 70 HE2 -0.38 -0.00 -0.12 -0.04 2.99 2.45 1oc1A1 LYS 70 HE3 -0.31 0.08 -0.35 -0.04 2.99 2.36 1oc1A1 TRP 71 H -0.10 0.44 -0.09 -0.55 7.97 7.67 1oc1A1 TRP 71 HA -0.02 0.07 0.47 -0.75 4.62 4.39 1oc1A1 TRP 71 HB2 -0.02 0.06 0.15 -0.04 3.23 3.39 1oc1A1 TRP 71 HB3 -0.03 -0.03 -0.00 -0.04 3.23 3.12 1oc1A1 TRP 71 HD1 -0.03 -0.09 -0.07 -0.04 7.22 6.98 1oc1A1 TRP 71 HE1 -0.02 -0.06 -0.02 -0.04 10.20 10.06 1oc1A1 TRP 71 HE3 -0.01 -0.01 0.02 -0.04 7.59 7.55 1oc1A1 TRP 71 HZ2 -0.00 -0.03 0.02 -0.04 7.44 7.38 1oc1A1 TRP 71 HZ3 0.08 0.29 0.10 -0.04 7.13 7.56 1oc1A1 TRP 71 HH2 0.04 0.01 0.04 -0.04 7.19 7.24 1oc1A1 ASP 72 H 0.19 0.37 -0.24 -0.55 8.40 8.17 1oc1A1 ASP 72 HA 0.27 0.03 0.43 -0.75 4.63 4.60 1oc1A1 ASP 72 HB2 0.13 0.04 0.17 -0.04 2.71 3.01 1oc1A1 ASP 72 HB3 0.15 -0.05 0.08 -0.04 2.70 2.83 1oc1A1 LEU 73 H 0.16 0.36 -0.35 -0.55 8.37 8.00 1oc1A1 LEU 73 HA 0.22 0.13 0.74 -0.75 4.35 4.68 1oc1A1 LEU 73 HB2 0.23 0.06 0.03 -0.04 1.64 1.91 1oc1A1 LEU 73 HB3 0.35 -0.11 0.08 -0.04 1.64 1.91 1oc1A1 LEU 73 HG 0.12 0.10 -0.11 -0.04 1.64 1.71 1oc1A1 LEU 73 HD13 0.11 -0.04 -0.16 -0.04 0.93 0.81 1oc1A1 LEU 73 HD23 0.17 0.02 -0.38 -0.04 0.89 0.67 1oc1A1 ALA 74 H 0.27 0.35 -0.31 -0.55 8.40 8.17 1oc1A1 ALA 74 HA 0.22 0.04 0.36 -0.75 4.34 4.21 1oc1A1 ALA 74 HB3 0.21 -0.01 0.11 -0.04 1.41 1.68 1oc1A1 ILE 75 H 0.11 0.39 0.23 -0.55 8.25 8.43 1oc1A1 ILE 75 HA 0.09 0.19 0.68 -0.75 4.18 4.38 1oc1A1 ILE 75 HB -0.13 0.05 0.01 -0.04 1.89 1.78 1oc1A1 ILE 75 HG12 -0.38 0.18 -0.10 -0.04 1.49 1.15 1oc1A1 ILE 75 HG13 0.08 -0.23 -0.05 -0.04 1.21 0.96 1oc1A1 ILE 75 HG23 -0.16 0.03 -0.53 -0.04 0.93 0.22 1oc1A1 ILE 75 HD13 -0.61 -0.01 -0.08 -0.04 0.88 0.13 1oc1A1 ARG 76 H 0.01 0.67 0.25 -0.55 8.46 8.84 1oc1A1 ARG 76 HA 0.06 0.32 0.21 -0.75 4.34 4.17 1oc1A1 ARG 76 HB2 0.03 -0.10 -0.15 -0.04 1.90 1.64 1oc1A1 ARG 76 HB3 0.04 0.23 0.03 -0.04 1.80 2.05 1oc1A1 ARG 76 HG2 -0.03 -0.00 -0.05 -0.04 1.67 1.55 1oc1A1 ARG 76 HG3 -0.03 -0.04 -0.39 -0.04 1.67 1.16 1oc1A1 ARG 76 HD2 -0.00 -0.07 -0.08 -0.04 3.22 3.03 1oc1A1 ARG 76 HD3 0.01 0.15 -0.07 -0.04 3.22 3.26 1oc1A1 ALA 77 H -0.10 0.13 -0.23 -0.55 8.40 7.65 1oc1A1 ALA 77 HA -0.15 0.07 0.48 -0.75 4.34 3.98 1oc1A1 ALA 77 HB3 -0.33 0.01 0.01 -0.04 1.41 1.06 1oc1A1 TYR 78 H 0.07 0.42 -0.35 -0.55 8.29 7.88 1oc1A1 TYR 78 HA 0.12 0.15 0.85 -0.75 4.56 4.92 1oc1A1 TYR 78 HB2 0.08 0.12 0.07 -0.04 3.06 3.28 1oc1A1 TYR 78 HB3 0.19 -0.05 0.07 -0.04 2.98 3.15 1oc1A1 TYR 78 HD2 -0.01 0.05 0.02 -0.04 7.15 7.17 1oc1A1 TYR 78 HE2 -0.03 0.01 -0.07 -0.04 6.85 6.72 1oc1A1 ASN 79 H 0.09 0.29 -0.20 -0.55 8.53 8.16 1oc1A1 ASN 79 HA 0.01 0.03 0.77 -0.75 4.76 4.82 1oc1A1 ASN 79 HB2 0.16 0.05 -0.19 -0.04 2.88 2.85 1oc1A1 ASN 79 HB3 -0.14 0.18 -0.00 -0.04 2.79 2.79 1oc1A1 ASN 79 HD21 -0.33 -0.12 -0.04 -0.04 7.03 6.50 1oc1A1 ASN 79 HD22 -0.16 0.43 0.08 -0.04 7.74 8.05 1oc1A1 LYS 80 H -0.04 0.17 0.06 -0.55 8.42 8.06 1oc1A1 LYS 80 HA 0.00 0.20 0.33 -0.75 4.32 4.10 1oc1A1 GLU 81 H -0.05 0.07 -0.31 -0.55 8.60 7.77 1oc1A1 GLU 81 HA 0.05 0.06 0.56 -0.75 4.29 4.21 1oc1A1 GLU 81 HB2 0.02 0.08 -0.03 -0.04 2.09 2.11 1oc1A1 GLU 81 HB3 0.15 -0.00 0.06 -0.04 1.99 2.15 1oc1A1 GLU 81 HG2 0.00 -0.00 0.02 -0.04 2.34 2.32 1oc1A1 GLU 81 HG3 -0.05 -0.05 0.01 -0.04 2.34 2.21 1oc1A1 HIS 82 H 0.12 0.50 -0.41 -0.55 8.41 8.08 1oc1A1 HIS 82 HA 0.03 0.10 0.57 -0.75 4.63 4.58 1oc1A1 HIS 82 HB2 0.06 0.23 0.06 -0.04 3.26 3.57 1oc1A1 HIS 82 HB3 0.05 -0.05 0.17 -0.04 3.20 3.32 1oc1A1 HIS 82 HD2 0.04 -0.13 -0.55 -0.04 6.97 6.29 1oc1A1 HIS 82 HE1 0.12 0.23 -0.12 -0.04 7.75 7.94 1oc1A1 GLN 83 H 0.07 0.31 -0.26 -0.55 8.47 8.05 1oc1A1 GLN 83 HA 0.04 0.09 0.21 -0.75 4.36 3.94 1oc1A1 GLN 83 HB2 0.03 -0.01 0.06 -0.04 2.15 2.19 1oc1A1 GLN 83 HB3 0.01 -0.01 0.03 -0.04 2.02 2.02 1oc1A1 GLN 83 HG2 0.03 0.16 0.01 -0.04 2.40 2.56 1oc1A1 GLN 83 HG3 0.01 -0.05 0.03 -0.04 2.39 2.34 1oc1A1 GLN 83 HE21 0.00 -0.05 0.00 -0.04 6.97 6.88 1oc1A1 GLN 83 HE22 0.02 0.63 0.15 -0.04 7.69 8.45 1oc1A1 ASP 84 H 0.02 0.10 -0.28 -0.55 8.40 7.69 1oc1A1 ASP 84 HA 0.01 0.14 0.56 -0.75 4.63 4.58 1oc1A1 ASP 84 HB2 -0.00 0.03 -0.02 -0.04 2.71 2.67 1oc1A1 ASP 84 HB3 0.00 -0.00 0.15 -0.04 2.70 2.80 1oc1A1 GLN 85 H 0.04 0.53 -0.37 -0.55 8.47 8.12 1oc1A1 GLN 85 HA 0.01 0.06 0.77 -0.75 4.36 4.45 1oc1A1 GLN 85 HB2 0.09 0.13 0.25 -0.04 2.15 2.58 1oc1A1 GLN 85 HB3 0.04 0.10 0.13 -0.04 2.02 2.25 1oc1A1 GLN 85 HG2 -0.00 0.03 -0.00 -0.04 2.40 2.38 1oc1A1 GLN 85 HG3 -0.02 -0.16 -0.10 -0.04 2.39 2.07 1oc1A1 GLN 85 HE21 0.16 0.18 -0.26 -0.04 6.97 7.01 1oc1A1 GLN 85 HE22 0.06 0.47 0.20 -0.04 7.69 8.38 1oc1A1 VAL 86 H 0.00 0.24 -0.02 -0.55 8.24 7.92 1oc1A1 VAL 86 HA -0.02 0.09 0.61 -0.75 4.13 4.06 1oc1A1 VAL 86 HB 0.00 -0.04 0.05 -0.04 2.12 2.09 1oc1A1 VAL 86 HG13 -0.01 -0.00 -0.07 -0.04 0.97 0.84 1oc1A1 VAL 86 HG23 -0.00 0.02 -0.06 -0.04 0.95 0.86 1oc1A1 ARG 87 H 0.01 -0.04 0.02 -0.55 8.46 7.90 1oc1A1 ARG 87 HA 0.09 0.21 0.59 -0.75 4.34 4.48 1oc1A1 ARG 87 HB2 0.03 -0.04 0.02 -0.04 1.90 1.86 1oc1A1 ARG 87 HB3 0.04 0.04 -0.11 -0.04 1.80 1.73 1oc1A1 ARG 87 HG2 0.02 0.04 -0.13 -0.04 1.67 1.55 1oc1A1 ARG 87 HG3 0.01 -0.11 -0.13 -0.04 1.67 1.40 1oc1A1 ARG 87 HD2 0.01 -0.07 -0.00 -0.04 3.22 3.11 1oc1A1 ARG 87 HD3 0.02 0.09 -0.04 -0.04 3.22 3.25 1oc1A1 ALA 88 H 0.01 -0.03 0.03 -0.55 8.40 7.87 1oc1A1 ALA 88 HA -0.05 0.15 0.53 -0.75 4.34 4.21 1oc1A1 ALA 88 HB3 -0.07 -0.02 0.02 -0.04 1.41 1.31 1oc1A1 GLY 89 H -0.15 0.35 0.43 -0.55 8.43 8.51 1oc1A1 GLY 89 HA2 0.03 -0.02 0.32 -0.51 4.01 3.83 1oc1A1 GLY 89 HA3 0.11 0.33 0.85 -0.51 4.01 4.79 1oc1A1 TYR 90 H 0.33 0.63 0.13 -0.55 8.29 8.83 1oc1A1 TYR 90 HA 0.37 0.25 0.79 -0.75 4.56 5.21 1oc1A1 TYR 90 HB2 0.22 -0.05 -0.02 -0.04 3.06 3.17 1oc1A1 TYR 90 HB3 0.05 0.04 -0.06 -0.04 2.98 2.96 1oc1A1 TYR 90 HD2 0.11 -0.07 -0.24 -0.04 7.15 6.91 1oc1A1 TYR 90 HE2 -0.07 -0.04 -0.10 -0.04 6.85 6.60 1oc1A1 TYR 91 H -0.12 0.80 0.36 -0.55 8.29 8.78 1oc1A1 TYR 91 HA -0.02 0.05 0.76 -0.75 4.56 4.59 1oc1A1 TYR 91 HB2 -0.14 -0.07 0.18 -0.04 3.06 3.00 1oc1A1 TYR 91 HB3 0.03 0.02 -0.04 -0.04 2.98 2.95 1oc1A1 TYR 91 HD2 0.01 -0.09 -0.19 -0.04 7.15 6.84 1oc1A1 TYR 91 HE2 -0.03 0.02 -0.05 -0.04 6.85 6.75 1oc1A1 LEU 92 H -1.33 0.11 0.05 -0.55 8.37 6.66 1oc1A1 LEU 92 HA -0.09 -0.03 0.28 -0.75 4.35 3.76 1oc1A1 LEU 92 HB2 -1.11 -0.03 0.07 -0.04 1.64 0.53 1oc1A1 LEU 92 HB3 -0.46 0.26 -0.01 -0.04 1.64 1.39 1oc1A1 LEU 92 HG -0.41 -0.06 -0.07 -0.04 1.64 1.06 1oc1A1 LEU 92 HD13 -0.25 -0.01 -0.17 -0.04 0.93 0.46 1oc1A1 LEU 92 HD23 -1.15 -0.00 -0.04 -0.04 0.89 -0.35 1oc1A1 SER 93 H -0.11 -0.01 0.18 -0.55 8.46 7.98 1oc1A1 SER 93 HA -0.05 0.27 0.58 -0.75 4.49 4.54 1oc1A1 SER 93 HB2 -0.07 0.18 0.05 -0.04 3.95 4.07 1oc1A1 SER 93 HB3 -0.07 0.01 -0.01 -0.04 3.93 3.81 1oc1A1 ILE 94 H -0.02 0.54 0.15 -0.55 8.25 8.38 1oc1A1 ILE 94 HA -0.02 0.17 0.72 -0.75 4.18 4.31 1oc1A1 ILE 94 HB 0.03 -0.17 0.19 -0.04 1.89 1.91 1oc1A1 ILE 94 HG12 0.10 0.09 -0.17 -0.04 1.49 1.46 1oc1A1 ILE 94 HG13 0.09 0.07 -0.39 -0.04 1.21 0.94 1oc1A1 ILE 94 HG23 0.05 0.01 -0.05 -0.04 0.93 0.90 1oc1A1 ILE 94 HD13 0.15 -0.01 -0.06 -0.04 0.88 0.92 1oc1A1 PRO 95 HA -0.06 0.00 0.38 -0.51 4.44 4.26 1oc1A1 PRO 95 HB2 -0.02 0.01 0.08 -0.04 2.28 2.31 1oc1A1 PRO 95 HB3 -0.04 0.03 0.07 -0.04 2.02 2.04 1oc1A1 PRO 95 HG2 -0.04 0.02 0.05 -0.04 2.03 2.02 1oc1A1 PRO 95 HG3 -0.06 0.07 0.03 -0.04 2.03 2.03 1oc1A1 PRO 95 HD2 -0.02 0.09 0.12 -0.04 3.68 3.83 1oc1A1 PRO 95 HD3 -0.06 0.22 -0.15 -0.04 3.65 3.62 1oc1A1 GLY 96 H -0.06 0.14 0.13 -0.55 8.43 8.09 1oc1A1 GLY 96 HA2 -0.04 -0.02 0.34 -0.51 4.01 3.78 1oc1A1 GLY 96 HA3 -0.02 0.15 0.62 -0.51 4.01 4.25 1oc1A1 LYS 97 H -0.02 0.44 -0.10 -0.55 8.42 8.18 1oc1A1 LYS 97 HA -0.00 0.07 0.92 -0.75 4.32 4.55 1oc1A1 LYS 97 HB2 0.02 0.08 0.03 -0.04 1.87 1.96 1oc1A1 LYS 97 HB3 0.02 0.00 -0.06 -0.04 1.79 1.72 1oc1A1 LYS 97 HG2 0.01 -0.01 -0.38 -0.04 1.46 1.04 1oc1A1 LYS 97 HG3 0.02 -0.01 -0.10 -0.04 1.46 1.33 1oc1A1 LYS 97 HD2 0.01 -0.01 -0.01 -0.04 1.69 1.64 1oc1A1 LYS 97 HD3 0.00 0.10 -0.01 -0.04 1.68 1.73 1oc1A1 LYS 97 HE2 0.00 -0.01 -0.06 -0.04 2.99 2.88 1oc1A1 LYS 97 HE3 0.01 -0.02 -0.04 -0.04 2.99 2.90 1oc1A1 LYS 98 H -0.01 0.60 0.21 -0.55 8.42 8.67 1oc1A1 LYS 98 HA 0.04 0.17 0.90 -0.75 4.32 4.68 1oc1A1 LYS 98 HB2 0.06 0.07 -0.14 -0.04 1.87 1.81 1oc1A1 LYS 98 HB3 0.04 -0.11 0.13 -0.04 1.79 1.82 1oc1A1 LYS 98 HG2 0.04 0.07 -0.18 -0.04 1.46 1.35 1oc1A1 LYS 98 HG3 0.08 0.03 0.07 -0.04 1.46 1.60 1oc1A1 LYS 98 HD2 0.13 0.01 -0.02 -0.04 1.69 1.77 1oc1A1 LYS 98 HD3 0.13 0.04 -0.02 -0.04 1.68 1.79 1oc1A1 LYS 98 HE2 0.11 -0.03 0.01 -0.04 2.99 3.03 1oc1A1 LYS 98 HE3 0.20 -0.04 -0.08 -0.04 2.99 3.03 1oc1A1 ALA 99 H 0.05 0.20 0.19 -0.55 8.40 8.29 1oc1A1 ALA 99 HA -0.09 0.04 0.46 -0.75 4.34 4.00 1oc1A1 ALA 99 HB3 -0.06 0.01 0.06 -0.04 1.41 1.39 1oc1A1 VAL 100 H 0.04 -0.00 0.11 -0.55 8.24 7.84 1oc1A1 VAL 100 HA -0.19 0.19 0.49 -0.75 4.13 3.87 1oc1A1 VAL 100 HB -0.12 -0.06 0.14 -0.04 2.12 2.03 1oc1A1 VAL 100 HG13 -0.01 0.02 -0.06 -0.04 0.97 0.88 1oc1A1 VAL 100 HG23 -0.63 0.02 -0.04 -0.04 0.95 0.26 1oc1A1 GLU 101 H -0.22 0.50 0.42 -0.55 8.60 8.75 1oc1A1 GLU 101 HA -0.12 0.30 0.42 -0.75 4.29 4.14 1oc1A1 GLU 101 HB2 -0.00 0.01 0.23 -0.04 2.09 2.29 1oc1A1 GLU 101 HB3 -0.07 -0.02 0.04 -0.04 1.99 1.90 1oc1A1 GLU 101 HG2 -0.14 0.05 0.10 -0.04 2.34 2.31 1oc1A1 GLU 101 HG3 -0.13 -0.05 -0.08 -0.04 2.34 2.04 1oc1A1 SER 102 H -0.31 0.53 0.37 -0.55 8.46 8.50 1oc1A1 SER 102 HA -0.10 0.25 0.85 -0.75 4.49 4.74 1oc1A1 SER 102 HB2 -0.17 -0.07 -0.10 -0.04 3.95 3.57 1oc1A1 SER 102 HB3 -0.22 0.06 -0.32 -0.04 3.93 3.40 1oc1A1 PHE 103 H 0.13 0.45 0.29 -0.55 8.34 8.66 1oc1A1 PHE 103 HA -0.04 0.29 0.85 -0.75 4.62 4.97 1oc1A1 PHE 103 HB2 0.30 0.01 -0.03 -0.04 3.15 3.40 1oc1A1 PHE 103 HB3 0.27 -0.05 0.15 -0.04 3.06 3.39 1oc1A1 PHE 103 HD2 0.27 -0.05 -0.17 -0.04 7.28 7.29 1oc1A1 PHE 103 HE2 -0.21 -0.04 -0.09 -0.04 7.38 7.00 1oc1A1 PHE 103 HZ -0.91 0.22 0.10 -0.04 7.32 6.69 1oc1A1 CYS 104 H -0.30 0.69 0.37 -0.55 8.50 8.70 1oc1A1 CYS 104 HA -0.20 0.28 1.16 -0.75 4.58 5.06 1oc1A1 CYS 104 HB2 -0.23 -0.05 0.05 -0.04 2.97 2.70 1oc1A1 CYS 104 HB3 0.05 0.08 0.28 -0.04 2.97 3.34 1oc1A1 TYR 105 H -0.32 0.63 0.41 -0.55 8.29 8.46 1oc1A1 TYR 105 HA -0.30 0.06 0.60 -0.75 4.56 4.17 1oc1A1 TYR 105 HB2 -0.24 -0.00 0.14 -0.04 3.06 2.93 1oc1A1 TYR 105 HB3 -0.70 0.08 0.03 -0.04 2.98 2.35 1oc1A1 TYR 105 HD2 -0.02 0.09 -0.16 -0.04 7.15 7.02 1oc1A1 TYR 105 HE2 0.15 0.01 -0.06 -0.04 6.85 6.91 1oc1A1 LEU 106 H 0.03 0.09 0.11 -0.55 8.37 8.05 1oc1A1 LEU 106 HA 0.06 0.30 0.87 -0.75 4.35 4.82 1oc1A1 LEU 106 HB2 0.10 0.09 0.05 -0.04 1.64 1.83 1oc1A1 LEU 106 HB3 0.10 -0.02 0.21 -0.04 1.64 1.89 1oc1A1 LEU 106 HG 0.02 -0.12 -0.12 -0.04 1.64 1.38 1oc1A1 LEU 106 HD13 0.11 0.02 0.01 -0.04 0.93 1.02 1oc1A1 LEU 106 HD23 0.03 0.05 -0.25 -0.04 0.89 0.68 1oc1A1 ASN 107 H -0.26 0.25 0.17 -0.55 8.53 8.14 1oc1A1 ASN 107 HA -1.13 0.05 0.46 -0.75 4.76 3.39 1oc1A1 ASN 107 HB2 -0.82 0.35 0.22 -0.04 2.88 2.59 1oc1A1 ASN 107 HB3 -2.37 -0.09 0.15 -0.04 2.79 0.44 1oc1A1 ASN 107 HD21 0.00 0.46 -0.06 -0.04 7.03 7.38 1oc1A1 ASN 107 HD22 -0.28 0.18 -0.07 -0.04 7.74 7.53 1oc1A1 PRO 108 HA -0.01 0.12 0.58 -0.51 4.44 4.62 1oc1A1 PRO 108 HB2 0.15 -0.02 0.01 -0.04 2.28 2.38 1oc1A1 PRO 108 HB3 0.00 -0.01 0.13 -0.04 2.02 2.10 1oc1A1 PRO 108 HG2 -0.58 0.03 0.13 -0.04 2.03 1.57 1oc1A1 PRO 108 HG3 -0.29 0.06 0.13 -0.04 2.03 1.90 1oc1A1 PRO 108 HD2 -1.40 0.03 0.23 -0.04 3.68 2.49 1oc1A1 PRO 108 HD3 -1.81 0.28 0.23 -0.04 3.65 2.30 1oc1A1 ASN 109 H -0.02 0.12 -0.29 -0.55 8.53 7.79 1oc1A1 ASN 109 HA 0.11 0.06 0.53 -0.75 4.76 4.71 1oc1A1 ASN 109 HB2 0.05 0.13 0.00 -0.04 2.88 3.03 1oc1A1 ASN 109 HB3 0.20 -0.04 0.10 -0.04 2.79 3.01 1oc1A1 ASN 109 HD21 -0.25 -0.09 -0.07 -0.04 7.03 6.58 1oc1A1 ASN 109 HD22 0.12 0.47 -0.09 -0.04 7.74 8.19 1oc1A1 PHE 110 H -0.11 0.51 -0.43 -0.55 8.34 7.75 1oc1A1 PHE 110 HA -0.22 -0.02 0.72 -0.75 4.62 4.35 1oc1A1 PHE 110 HB2 -0.04 0.17 0.24 -0.04 3.15 3.47 1oc1A1 PHE 110 HB3 -0.05 -0.06 -0.08 -0.04 3.06 2.83 1oc1A1 PHE 110 HD2 -0.44 0.03 0.00 -0.04 7.28 6.84 1oc1A1 PHE 110 HE2 -0.11 0.04 0.03 -0.04 7.38 7.30 1oc1A1 PHE 110 HZ -0.00 0.09 -0.27 -0.04 7.32 7.10 1oc1A1 THR 111 H 0.22 0.22 0.09 -0.55 8.28 8.25 1oc1A1 THR 111 HA 0.12 0.23 0.74 -0.75 4.39 4.73 1oc1A1 THR 111 HB 0.09 0.01 0.14 -0.04 4.32 4.52 1oc1A1 THR 111 HG23 0.11 0.03 -0.11 -0.04 1.22 1.21 1oc1A1 PRO 112 HA 0.05 0.12 0.40 -0.51 4.44 4.50 1oc1A1 PRO 112 HB2 0.04 0.00 0.03 -0.04 2.28 2.31 1oc1A1 PRO 112 HB3 0.04 0.06 0.09 -0.04 2.02 2.17 1oc1A1 PRO 112 HG2 0.05 0.04 0.08 -0.04 2.03 2.16 1oc1A1 PRO 112 HG3 0.06 0.08 0.07 -0.04 2.03 2.20 1oc1A1 PRO 112 HD2 0.07 0.07 0.20 -0.04 3.68 3.97 1oc1A1 PRO 112 HD3 0.09 0.18 0.22 -0.04 3.65 4.09 1oc1A1 ASP 113 H 0.07 0.03 -0.34 -0.55 8.40 7.62 1oc1A1 ASP 113 HA 0.04 0.19 0.60 -0.75 4.63 4.71 1oc1A1 ASP 113 HB2 0.05 -0.02 0.02 -0.04 2.71 2.71 1oc1A1 ASP 113 HB3 0.03 0.01 0.10 -0.04 2.70 2.79 1oc1A1 HIS 114 H 0.18 0.40 -0.23 -0.55 8.41 8.21 1oc1A1 HIS 114 HA 0.05 0.14 0.67 -0.75 4.63 4.74 1oc1A1 HIS 114 HB2 0.14 0.02 0.31 -0.04 3.26 3.70 1oc1A1 HIS 114 HB3 0.07 -0.02 0.18 -0.04 3.20 3.39 1oc1A1 HIS 114 HD2 0.21 0.10 0.09 -0.04 6.97 7.32 1oc1A1 HIS 114 HE1 0.12 -0.05 0.05 -0.04 7.75 7.84 1oc1A1 PRO 115 HA -0.05 0.11 0.32 -0.51 4.44 4.31 1oc1A1 PRO 115 HB2 -0.09 0.03 -0.02 -0.04 2.28 2.15 1oc1A1 PRO 115 HB3 -0.09 0.06 0.12 -0.04 2.02 2.07 1oc1A1 PRO 115 HG2 -0.33 0.00 0.11 -0.04 2.03 1.77 1oc1A1 PRO 115 HG3 -0.19 0.06 0.11 -0.04 2.03 1.96 1oc1A1 PRO 115 HD2 -0.97 0.11 0.28 -0.04 3.68 3.06 1oc1A1 PRO 115 HD3 -0.22 0.22 0.27 -0.04 3.65 3.88 1oc1A1 ARG 116 H 0.26 0.14 -0.19 -0.55 8.46 8.11 1oc1A1 ARG 116 HA -0.23 0.09 0.56 -0.75 4.34 4.01 1oc1A1 ARG 116 HB2 -0.17 0.02 0.02 -0.04 1.90 1.74 1oc1A1 ARG 116 HB3 -1.15 0.08 -0.03 -0.04 1.80 0.66 1oc1A1 ARG 116 HG2 0.03 -0.04 0.02 -0.04 1.67 1.63 1oc1A1 ARG 116 HG3 -0.10 0.03 0.03 -0.04 1.67 1.60 1oc1A1 ARG 116 HD2 -0.68 0.05 0.04 -0.04 3.22 2.58 1oc1A1 ARG 116 HD3 -0.23 0.02 -0.02 -0.04 3.22 2.95 1oc1A1 ILE 117 H 0.04 0.19 -0.23 -0.55 8.25 7.71 1oc1A1 ILE 117 HA -0.10 0.12 0.50 -0.75 4.18 3.95 1oc1A1 ILE 117 HB 0.04 0.18 0.06 -0.04 1.89 2.13 1oc1A1 ILE 117 HG12 -0.11 -0.14 -0.08 -0.04 1.49 1.12 1oc1A1 ILE 117 HG13 0.03 0.08 -0.28 -0.04 1.21 1.00 1oc1A1 ILE 117 HG23 0.01 -0.01 -0.16 -0.04 0.93 0.73 1oc1A1 ILE 117 HD13 -0.12 0.01 -0.34 -0.04 0.88 0.39 1oc1A1 GLN 118 H -0.01 0.38 -0.12 -0.55 8.47 8.17 1oc1A1 GLN 118 HA -0.02 0.09 0.55 -0.75 4.36 4.24 1oc1A1 GLN 118 HB2 -0.02 0.01 0.05 -0.04 2.15 2.14 1oc1A1 GLN 118 HB3 -0.02 -0.05 0.02 -0.04 2.02 1.93 1oc1A1 GLN 118 HG2 0.01 0.14 0.03 -0.04 2.40 2.54 1oc1A1 GLN 118 HG3 0.01 0.05 -0.24 -0.04 2.39 2.16 1oc1A1 GLN 118 HE21 -0.00 -0.07 -0.01 -0.04 6.97 6.85 1oc1A1 GLN 118 HE22 -0.01 0.02 -0.09 -0.04 7.69 7.58 1oc1A1 ALA 119 H -0.07 0.44 -0.12 -0.55 8.40 8.10 1oc1A1 ALA 119 HA -0.05 0.08 0.63 -0.75 4.34 4.24 1oc1A1 ALA 119 HB3 -0.10 -0.03 0.09 -0.04 1.41 1.33 1oc1A1 LYS 120 H -0.08 0.20 -0.80 -0.55 8.42 7.18 1oc1A1 LYS 120 HA -0.08 0.08 0.29 -0.75 4.32 3.86 1oc1A1 LYS 120 HB2 -0.05 0.07 0.22 -0.04 1.87 2.07 1oc1A1 LYS 120 HB3 -0.04 -0.07 0.15 -0.04 1.79 1.79 1oc1A1 LYS 120 HG2 -0.04 0.04 -0.51 -0.04 1.46 0.90 1oc1A1 LYS 120 HG3 -0.03 -0.08 -0.08 -0.04 1.46 1.23 1oc1A1 LYS 120 HD2 -0.03 -0.03 0.05 -0.04 1.69 1.64 1oc1A1 LYS 120 HD3 -0.03 0.23 0.04 -0.04 1.68 1.89 1oc1A1 LYS 120 HE2 -0.01 -0.06 0.01 -0.04 2.99 2.88 1oc1A1 LYS 120 HE3 -0.01 -0.03 0.01 -0.04 2.99 2.92 1oc1A1 THR 121 H -0.25 0.46 -0.03 -0.55 8.28 7.91 1oc1A1 THR 121 HA -0.22 0.08 0.47 -0.75 4.39 3.97 1oc1A1 THR 121 HB -0.83 -0.06 0.08 -0.04 4.32 3.47 1oc1A1 THR 121 HG23 -0.92 0.01 0.02 -0.04 1.22 0.28 1oc1A1 PRO 122 HA 0.01 0.07 0.50 -0.51 4.44 4.51 1oc1A1 PRO 122 HB2 0.17 -0.03 0.01 -0.04 2.28 2.39 1oc1A1 PRO 122 HB3 0.06 0.01 0.11 -0.04 2.02 2.16 1oc1A1 PRO 122 HG2 0.08 -0.01 0.09 -0.04 2.03 2.15 1oc1A1 PRO 122 HG3 0.02 0.10 0.12 -0.04 2.03 2.23 1oc1A1 PRO 122 HD2 -0.13 -0.00 0.22 -0.04 3.68 3.73 1oc1A1 PRO 122 HD3 -0.07 0.30 0.31 -0.04 3.65 4.14 1oc1A1 THR 123 H 0.04 0.15 0.13 -0.55 8.28 8.05 1oc1A1 THR 123 HA 0.02 -0.01 0.28 -0.75 4.39 3.91 1oc1A1 THR 123 HB 0.02 -0.01 0.13 -0.04 4.32 4.43 1oc1A1 THR 123 HG23 0.11 -0.03 -0.27 -0.04 1.22 1.00 1oc1A1 HIS 124 H 0.10 0.38 -0.43 -0.55 8.41 7.92 1oc1A1 HIS 124 HA -0.20 0.12 0.80 -0.75 4.63 4.59 1oc1A1 HIS 124 HB2 -0.30 0.16 -0.06 -0.04 3.26 3.02 1oc1A1 HIS 124 HB3 -0.74 -0.08 -0.12 -0.04 3.20 2.21 1oc1A1 HIS 124 HD2 -1.05 -0.02 -0.05 -0.04 6.97 5.80 1oc1A1 HIS 124 HE1 -0.30 -0.07 -0.02 -0.04 7.75 7.31 1oc1A1 GLU 125 H 0.06 0.28 0.18 -0.55 8.60 8.58 1oc1A1 GLU 125 HA 0.01 0.17 0.66 -0.75 4.29 4.36 1oc1A1 GLU 125 HB2 0.04 -0.08 -0.16 -0.04 2.09 1.84 1oc1A1 GLU 125 HB3 0.02 0.10 0.07 -0.04 1.99 2.13 1oc1A1 GLU 125 HG2 0.01 0.23 -0.06 -0.04 2.34 2.48 1oc1A1 GLU 125 HG3 0.02 -0.11 -0.71 -0.04 2.34 1.50 1oc1A1 VAL 126 H 0.04 0.17 0.10 -0.55 8.24 8.00 1oc1A1 VAL 126 HA 0.13 0.32 0.66 -0.75 4.13 4.48 1oc1A1 VAL 126 HB 0.05 -0.03 0.10 -0.04 2.12 2.20 1oc1A1 VAL 126 HG13 0.11 0.09 0.02 -0.04 0.97 1.14 1oc1A1 VAL 126 HG23 0.06 -0.01 -0.24 -0.04 0.95 0.72 1oc1A1 ASN 127 H 0.11 0.21 0.18 -0.55 8.53 8.49 1oc1A1 ASN 127 HA -0.12 0.00 0.46 -0.75 4.76 4.35 1oc1A1 ASN 127 HB2 0.31 -0.02 0.07 -0.04 2.88 3.19 1oc1A1 ASN 127 HB3 -0.63 0.09 -0.01 -0.04 2.79 2.20 1oc1A1 ASN 127 HD21 0.11 0.51 -0.12 -0.04 7.03 7.48 1oc1A1 ASN 127 HD22 0.39 -0.07 -0.02 -0.04 7.74 8.00 1oc1A1 VAL 128 H -0.26 0.16 0.18 -0.55 8.24 7.77 1oc1A1 VAL 128 HA -0.00 0.12 0.80 -0.75 4.13 4.29 1oc1A1 VAL 128 HB 0.05 0.01 0.07 -0.04 2.12 2.21 1oc1A1 VAL 128 HG13 -0.02 0.03 -0.07 -0.04 0.97 0.87 1oc1A1 VAL 128 HG23 0.05 0.02 -0.02 -0.04 0.95 0.95 1oc1A1 TRP 129 H 0.21 0.27 0.15 -0.55 7.97 8.05 1oc1A1 TRP 129 HA 0.20 0.17 0.78 -0.75 4.62 5.02 1oc1A1 TRP 129 HB2 0.08 -0.04 -0.01 -0.04 3.23 3.23 1oc1A1 TRP 129 HB3 0.09 0.02 0.01 -0.04 3.23 3.31 1oc1A1 TRP 129 HD1 0.05 0.05 -0.22 -0.04 7.22 7.07 1oc1A1 TRP 129 HE1 -0.01 0.02 -0.12 -0.04 10.20 10.06 1oc1A1 TRP 129 HE3 0.08 0.01 0.01 -0.04 7.59 7.64 1oc1A1 TRP 129 HZ2 -0.24 0.02 -0.04 -0.04 7.44 7.14 1oc1A1 TRP 129 HZ3 -0.72 -0.01 -0.07 -0.04 7.13 6.29 1oc1A1 TRP 129 HH2 -1.33 -0.01 -0.09 -0.04 7.19 5.71 1oc1A1 PRO 130 HA 0.16 0.12 0.57 -0.51 4.44 4.78 1oc1A1 PRO 130 HB2 0.21 0.02 -0.00 -0.04 2.28 2.46 1oc1A1 PRO 130 HB3 -0.01 0.07 0.05 -0.04 2.02 2.09 1oc1A1 PRO 130 HG2 0.21 -0.01 -0.12 -0.04 2.03 2.07 1oc1A1 PRO 130 HG3 -0.21 0.08 -0.02 -0.04 2.03 1.85 1oc1A1 PRO 130 HD2 0.64 0.04 0.16 -0.04 3.68 4.47 1oc1A1 PRO 130 HD3 0.04 0.21 0.09 -0.04 3.65 3.95 1oc1A1 ASP 131 H 0.19 0.12 0.12 -0.55 8.40 8.28 1oc1A1 ASP 131 HA 0.13 0.09 0.38 -0.75 4.63 4.48 1oc1A1 ASP 131 HB2 0.11 0.11 0.13 -0.04 2.71 3.01 1oc1A1 ASP 131 HB3 0.11 -0.02 0.14 -0.04 2.70 2.90 1oc1A1 GLU 132 H 0.10 0.17 0.16 -0.55 8.60 8.49 1oc1A1 GLU 132 HA 0.12 0.13 0.22 -0.75 4.29 4.01 1oc1A1 GLU 132 HB2 0.05 0.06 0.11 -0.04 2.09 2.27 1oc1A1 GLU 132 HB3 0.05 -0.00 0.12 -0.04 1.99 2.11 1oc1A1 GLU 132 HG2 0.02 0.04 -0.02 -0.04 2.34 2.34 1oc1A1 GLU 132 HG3 0.03 0.04 -0.26 -0.04 2.34 2.11 1oc1A1 THR 133 H 0.05 0.07 -0.12 -0.55 8.28 7.72 1oc1A1 THR 133 HA 0.02 0.10 0.44 -0.75 4.39 4.19 1oc1A1 THR 133 HB 0.00 0.07 0.02 -0.04 4.32 4.38 1oc1A1 THR 133 HG23 0.01 -0.00 0.02 -0.04 1.22 1.21 1oc1A1 LYS 134 H 0.03 0.08 -0.40 -0.55 8.42 7.58 1oc1A1 LYS 134 HA -0.12 0.12 0.55 -0.75 4.32 4.12 1oc1A1 LYS 134 HB2 0.03 0.04 0.04 -0.04 1.87 1.94 1oc1A1 LYS 134 HB3 -0.24 0.05 0.04 -0.04 1.79 1.59 1oc1A1 LYS 134 HG2 -0.02 -0.05 -0.10 -0.04 1.46 1.25 1oc1A1 LYS 134 HG3 0.03 -0.08 0.01 -0.04 1.46 1.38 1oc1A1 LYS 134 HD2 -0.06 0.08 0.03 -0.04 1.69 1.69 1oc1A1 LYS 134 HD3 -0.02 -0.00 -0.01 -0.04 1.68 1.61 1oc1A1 LYS 134 HE2 0.05 -0.05 0.03 -0.04 2.99 2.98 1oc1A1 LYS 134 HE3 0.01 -0.00 0.03 -0.04 2.99 2.98 1oc1A1 HIS 135 H 0.09 0.22 -0.34 -0.55 8.41 7.83 1oc1A1 HIS 135 HA 0.04 0.21 0.68 -0.75 4.63 4.81 1oc1A1 HIS 135 HB2 0.12 -0.01 -0.02 -0.04 3.26 3.31 1oc1A1 HIS 135 HB3 0.10 -0.07 0.05 -0.04 3.20 3.23 1oc1A1 HIS 135 HD2 0.04 -0.10 -0.14 -0.04 6.97 6.73 1oc1A1 HIS 135 HE1 -0.24 0.06 -0.18 -0.04 7.75 7.35 1oc1A1 PRO 136 HA 0.06 0.04 0.42 -0.51 4.44 4.45 1oc1A1 PRO 136 HB2 0.03 -0.02 -0.00 -0.04 2.28 2.24 1oc1A1 PRO 136 HB3 0.02 -0.01 0.08 -0.04 2.02 2.07 1oc1A1 PRO 136 HG2 0.00 0.00 0.03 -0.04 2.03 2.02 1oc1A1 PRO 136 HG3 -0.00 0.09 0.03 -0.04 2.03 2.11 1oc1A1 PRO 136 HD2 -0.01 0.14 -0.05 -0.04 3.68 3.72 1oc1A1 PRO 136 HD3 -0.03 0.22 -0.61 -0.04 3.65 3.20 1oc1A1 GLY 137 H 0.05 0.11 0.21 -0.55 8.43 8.24 1oc1A1 GLY 137 HA2 0.02 -0.05 0.37 -0.51 4.01 3.83 1oc1A1 GLY 137 HA3 0.05 0.15 0.40 -0.51 4.01 4.11 1oc1A1 PHE 138 H 0.23 0.63 -0.32 -0.55 8.34 8.33 1oc1A1 PHE 138 HA 0.13 0.07 0.19 -0.75 4.62 4.25 1oc1A1 PHE 138 HB2 0.12 0.07 -0.04 -0.04 3.15 3.25 1oc1A1 PHE 138 HB3 0.10 0.11 0.08 -0.04 3.06 3.31 1oc1A1 PHE 138 HD2 0.05 0.01 -0.10 -0.04 7.28 7.19 1oc1A1 PHE 138 HE2 -0.36 0.03 -0.07 -0.04 7.38 6.94 1oc1A1 PHE 138 HZ -0.91 0.04 -0.06 -0.04 7.32 6.35 1oc1A1 GLN 139 H -0.03 0.16 -0.03 -0.55 8.47 8.02 1oc1A1 GLN 139 HA -1.21 0.14 0.44 -0.75 4.36 2.97 1oc1A1 GLN 139 HB2 -0.59 0.09 0.07 -0.04 2.15 1.68 1oc1A1 GLN 139 HB3 -0.43 -0.06 0.07 -0.04 2.02 1.56 1oc1A1 GLN 139 HG2 -0.91 -0.03 -0.20 -0.04 2.40 1.22 1oc1A1 GLN 139 HG3 -2.82 0.04 0.00 -0.04 2.39 -0.43 1oc1A1 GLN 139 HE21 -0.30 0.03 -0.04 -0.04 6.97 6.62 1oc1A1 GLN 139 HE22 -0.64 0.00 -0.05 -0.04 7.69 6.96 1oc1A1 ASP 140 H -0.20 0.06 -0.32 -0.55 8.40 7.39 1oc1A1 ASP 140 HA -0.22 0.06 0.22 -0.75 4.63 3.93 1oc1A1 ASP 140 HB2 -0.04 0.06 0.08 -0.04 2.71 2.77 1oc1A1 ASP 140 HB3 -0.04 0.02 -0.04 -0.04 2.70 2.59 1oc1A1 PHE 141 H 0.02 0.54 -0.14 -0.55 8.34 8.21 1oc1A1 PHE 141 HA -0.06 -0.01 0.48 -0.75 4.62 4.28 1oc1A1 PHE 141 HB2 -0.04 -0.05 0.08 -0.04 3.15 3.11 1oc1A1 PHE 141 HB3 -0.11 0.20 0.17 -0.04 3.06 3.27 1oc1A1 PHE 141 HD2 -0.13 0.04 -0.03 -0.04 7.28 7.12 1oc1A1 PHE 141 HE2 -0.02 -0.02 -0.13 -0.04 7.38 7.17 1oc1A1 PHE 141 HZ -0.16 0.06 0.02 -0.04 7.32 7.20 1oc1A1 ALA 142 H -0.54 0.64 -0.13 -0.55 8.40 7.83 1oc1A1 ALA 142 HA -0.87 -0.00 0.33 -0.75 4.34 3.04 1oc1A1 ALA 142 HB3 -0.82 0.03 0.08 -0.04 1.41 0.66 1oc1A1 GLU 143 H -0.43 0.59 -0.12 -0.55 8.60 8.10 1oc1A1 GLU 143 HA -0.13 0.08 0.55 -0.75 4.29 4.04 1oc1A1 GLU 143 HB2 -0.20 0.06 0.11 -0.04 2.09 2.02 1oc1A1 GLU 143 HB3 -0.04 -0.05 0.02 -0.04 1.99 1.88 1oc1A1 GLU 143 HG2 -0.13 0.01 0.05 -0.04 2.34 2.22 1oc1A1 GLU 143 HG3 -0.64 0.09 0.05 -0.04 2.34 1.80 1oc1A1 GLN 144 H -0.13 0.51 -0.12 -0.55 8.47 8.19 1oc1A1 GLN 144 HA 0.16 0.02 0.47 -0.75 4.36 4.26 1oc1A1 GLN 144 HB2 0.03 0.05 0.14 -0.04 2.15 2.32 1oc1A1 GLN 144 HB3 0.01 0.09 0.18 -0.04 2.02 2.26 1oc1A1 GLN 144 HG2 0.06 -0.01 0.01 -0.04 2.40 2.42 1oc1A1 GLN 144 HG3 0.07 -0.04 -0.10 -0.04 2.39 2.28 1oc1A1 GLN 144 HE21 0.11 0.02 0.00 -0.04 6.97 7.06 1oc1A1 GLN 144 HE22 0.10 -0.06 0.02 -0.04 7.69 7.71 1oc1A1 TYR 145 H -0.18 0.69 -0.09 -0.55 8.29 8.16 1oc1A1 TYR 145 HA -0.11 -0.07 0.38 -0.75 4.56 4.01 1oc1A1 TYR 145 HB2 -0.57 0.00 0.09 -0.04 3.06 2.54 1oc1A1 TYR 145 HB3 -0.35 0.18 0.14 -0.04 2.98 2.91 1oc1A1 TYR 145 HD2 -0.04 0.02 -0.06 -0.04 7.15 7.03 1oc1A1 TYR 145 HE2 0.02 0.01 -0.09 -0.04 6.85 6.75 1oc1A1 TYR 146 H -0.05 0.47 -0.31 -0.55 8.29 7.86 1oc1A1 TYR 146 HA -0.54 0.00 0.27 -0.75 4.56 3.55 1oc1A1 TYR 146 HB2 -0.12 0.11 0.15 -0.04 3.06 3.15 1oc1A1 TYR 146 HB3 -0.93 0.13 0.12 -0.04 2.98 2.27 1oc1A1 TYR 146 HD2 -1.17 -0.00 -0.20 -0.04 7.15 5.73 1oc1A1 TYR 146 HE2 -0.33 0.04 -0.16 -0.04 6.85 6.35 1oc1A1 TRP 147 H -0.22 0.43 -0.24 -0.55 7.97 7.38 1oc1A1 TRP 147 HA 0.01 0.03 0.56 -0.75 4.62 4.46 1oc1A1 TRP 147 HB2 -0.04 0.08 0.14 -0.04 3.23 3.37 1oc1A1 TRP 147 HB3 -0.05 -0.06 0.07 -0.04 3.23 3.15 1oc1A1 TRP 147 HD1 -0.06 -0.01 -0.03 -0.04 7.22 7.08 1oc1A1 TRP 147 HE1 -0.12 -0.03 -0.02 -0.04 10.20 9.99 1oc1A1 TRP 147 HE3 -0.41 -0.04 0.02 -0.04 7.59 7.12 1oc1A1 TRP 147 HZ2 -0.22 -0.08 0.01 -0.04 7.44 7.11 1oc1A1 TRP 147 HZ3 -0.86 -0.03 -0.00 -0.04 7.13 6.20 1oc1A1 TRP 147 HH2 -0.26 0.18 0.11 -0.04 7.19 7.19 1oc1A1 ASP 148 H -0.04 0.60 -0.01 -0.55 8.40 8.41 1oc1A1 ASP 148 HA 0.04 0.02 0.47 -0.75 4.63 4.41 1oc1A1 ASP 148 HB2 -0.15 0.12 0.17 -0.04 2.71 2.81 1oc1A1 ASP 148 HB3 -0.03 -0.08 -0.01 -0.04 2.70 2.53 1oc1A1 VAL 149 H -0.64 0.70 -0.09 -0.55 8.24 7.67 1oc1A1 VAL 149 HA -0.43 -0.01 0.41 -0.75 4.13 3.35 1oc1A1 VAL 149 HB -1.03 -0.02 0.04 -0.04 2.12 1.07 1oc1A1 VAL 149 HG13 -1.69 0.06 -0.05 -0.04 0.97 -0.75 1oc1A1 VAL 149 HG23 -0.53 -0.01 0.00 -0.04 0.95 0.38 1oc1A1 PHE 150 H -0.35 0.55 -0.17 -0.55 8.34 7.81 1oc1A1 PHE 150 HA 0.16 -0.01 0.48 -0.75 4.62 4.50 1oc1A1 PHE 150 HB2 -0.11 0.10 0.10 -0.04 3.15 3.20 1oc1A1 PHE 150 HB3 0.22 0.11 0.18 -0.04 3.06 3.53 1oc1A1 PHE 150 HD2 0.05 0.04 -0.20 -0.04 7.28 7.12 1oc1A1 PHE 150 HE2 -0.49 -0.03 -0.22 -0.04 7.38 6.60 1oc1A1 PHE 150 HZ -0.31 0.14 -0.17 -0.04 7.32 6.94 1oc1A1 GLY 151 H 0.24 0.56 -0.19 -0.55 8.43 8.49 1oc1A1 GLY 151 HA2 0.28 0.01 0.43 -0.51 4.01 4.21 1oc1A1 GLY 151 HA3 0.23 0.09 0.31 -0.51 4.01 4.13 1oc1A1 LEU 152 H 0.04 0.51 -0.04 -0.55 8.37 8.33 1oc1A1 LEU 152 HA 0.24 0.03 0.49 -0.75 4.35 4.37 1oc1A1 LEU 152 HB2 0.01 0.04 0.11 -0.04 1.64 1.75 1oc1A1 LEU 152 HB3 -0.19 0.12 0.13 -0.04 1.64 1.66 1oc1A1 LEU 152 HG -0.11 -0.00 -0.29 -0.04 1.64 1.20 1oc1A1 LEU 152 HD13 0.18 -0.01 0.02 -0.04 0.93 1.08 1oc1A1 LEU 152 HD23 -0.52 -0.01 -0.05 -0.04 0.89 0.26 1oc1A1 SER 153 H -0.05 0.59 -0.30 -0.55 8.46 8.16 1oc1A1 SER 153 HA -0.07 -0.03 0.32 -0.75 4.49 3.96 1oc1A1 SER 153 HB2 0.07 0.14 0.17 -0.04 3.95 4.29 1oc1A1 SER 153 HB3 -0.21 -0.11 0.02 -0.04 3.93 3.58 1oc1A1 SER 154 H -0.00 0.55 -0.19 -0.55 8.46 8.27 1oc1A1 SER 154 HA 0.02 -0.02 0.34 -0.75 4.49 4.07 1oc1A1 SER 154 HB2 0.07 0.10 0.10 -0.04 3.95 4.18 1oc1A1 SER 154 HB3 0.09 -0.07 -0.00 -0.04 3.93 3.91 1oc1A1 ALA 155 H -0.06 0.52 -0.11 -0.55 8.40 8.21 1oc1A1 ALA 155 HA -0.14 0.09 0.55 -0.75 4.34 4.09 1oc1A1 ALA 155 HB3 -0.64 0.02 0.03 -0.04 1.41 0.78 1oc1A1 LEU 156 H -0.06 0.63 -0.16 -0.55 8.37 8.24 1oc1A1 LEU 156 HA 0.03 -0.03 0.23 -0.75 4.35 3.83 1oc1A1 LEU 156 HB2 0.04 0.14 0.11 -0.04 1.64 1.89 1oc1A1 LEU 156 HB3 0.23 -0.06 -0.04 -0.04 1.64 1.73 1oc1A1 LEU 156 HG 0.00 0.25 0.02 -0.04 1.64 1.88 1oc1A1 LEU 156 HD13 0.02 -0.02 -0.09 -0.04 0.93 0.80 1oc1A1 LEU 156 HD23 0.16 -0.03 -0.03 -0.04 0.89 0.95 1oc1A1 LEU 157 H 0.02 0.53 -0.25 -0.55 8.37 8.11 1oc1A1 LEU 157 HA 0.22 0.00 0.38 -0.75 4.35 4.20 1oc1A1 LEU 157 HB2 0.04 0.17 0.11 -0.04 1.64 1.92 1oc1A1 LEU 157 HB3 0.18 -0.19 -0.01 -0.04 1.64 1.57 1oc1A1 LEU 157 HG -0.23 0.23 0.00 -0.04 1.64 1.60 1oc1A1 LEU 157 HD13 -0.40 -0.02 -0.18 -0.04 0.93 0.28 1oc1A1 LEU 157 HD23 -0.29 -0.03 -0.08 -0.04 0.89 0.44 1oc1A1 LYS 158 H 0.07 0.52 -0.23 -0.55 8.42 8.22 1oc1A1 LYS 158 HA 0.14 0.23 0.81 -0.75 4.32 4.74 1oc1A1 LYS 158 HB2 0.00 0.20 0.21 -0.04 1.87 2.24 1oc1A1 LYS 158 HB3 0.04 -0.13 0.08 -0.04 1.79 1.73 1oc1A1 LYS 158 HG2 0.07 -0.06 -0.01 -0.04 1.46 1.42 1oc1A1 LYS 158 HG3 0.05 0.25 0.13 -0.04 1.46 1.85 1oc1A1 LYS 158 HD2 -0.01 0.15 0.07 -0.04 1.69 1.86 1oc1A1 LYS 158 HD3 0.02 -0.08 0.00 -0.04 1.68 1.59 1oc1A1 LYS 158 HE2 0.05 -0.11 -0.07 -0.04 2.99 2.82 1oc1A1 LYS 158 HE3 0.06 0.01 -0.10 -0.04 2.99 2.92 1oc1A1 GLY 159 H 0.04 0.43 -0.09 -0.55 8.43 8.27 1oc1A1 GLY 159 HA2 -0.01 -0.01 0.49 -0.51 4.01 3.97 1oc1A1 GLY 159 HA3 -0.06 0.05 0.30 -0.51 4.01 3.80 1oc1A1 TYR 160 H 0.26 0.50 -0.08 -0.55 8.29 8.42 1oc1A1 TYR 160 HA 0.20 0.06 0.24 -0.75 4.56 4.30 1oc1A1 TYR 160 HB2 0.14 0.02 0.11 -0.04 3.06 3.29 1oc1A1 TYR 160 HB3 0.25 0.01 -0.08 -0.04 2.98 3.12 1oc1A1 TYR 160 HD2 0.16 0.07 -0.13 -0.04 7.15 7.20 1oc1A1 TYR 160 HE2 0.00 0.01 -0.12 -0.04 6.85 6.70 1oc1A1 ALA 161 H 0.42 0.50 -0.19 -0.55 8.40 8.59 1oc1A1 ALA 161 HA 0.18 0.01 0.33 -0.75 4.34 4.11 1oc1A1 ALA 161 HB3 0.13 0.02 0.07 -0.04 1.41 1.58 1oc1A1 LEU 162 H 0.10 0.52 -0.22 -0.55 8.37 8.22 1oc1A1 LEU 162 HA -0.00 0.18 0.32 -0.75 4.35 4.08 1oc1A1 LEU 162 HB2 0.02 0.12 0.16 -0.04 1.64 1.89 1oc1A1 LEU 162 HB3 0.01 -0.08 0.01 -0.04 1.64 1.53 1oc1A1 LEU 162 HG 0.03 0.18 0.08 -0.04 1.64 1.89 1oc1A1 LEU 162 HD13 0.00 -0.04 -0.11 -0.04 0.93 0.75 1oc1A1 LEU 162 HD23 -0.00 0.02 -0.01 -0.04 0.89 0.86 1oc1A1 ALA 163 H 0.10 0.50 -0.32 -0.55 8.40 8.13 1oc1A1 ALA 163 HA 0.07 -0.05 0.23 -0.75 4.34 3.83 1oc1A1 ALA 163 HB3 0.17 0.02 0.08 -0.04 1.41 1.63 1oc1A1 LEU 164 H 0.12 0.41 -0.32 -0.55 8.37 8.03 1oc1A1 LEU 164 HA 0.03 0.10 0.58 -0.75 4.35 4.31 1oc1A1 LEU 164 HB2 0.04 0.07 0.09 -0.04 1.64 1.80 1oc1A1 LEU 164 HB3 0.03 -0.05 0.10 -0.04 1.64 1.67 1oc1A1 LEU 164 HG 0.22 0.03 -0.08 -0.04 1.64 1.77 1oc1A1 LEU 164 HD13 0.45 -0.03 -0.11 -0.04 0.93 1.20 1oc1A1 LEU 164 HD23 -0.42 0.00 -0.04 -0.04 0.89 0.39 1oc1A1 GLY 165 H -0.03 0.46 -0.39 -0.55 8.43 7.92 1oc1A1 GLY 165 HA2 -0.07 -0.01 0.29 -0.51 4.01 3.72 1oc1A1 GLY 165 HA3 -0.11 0.06 0.52 -0.51 4.01 3.98 1oc1A1 LYS 166 H -0.18 0.46 -0.11 -0.55 8.42 8.04 1oc1A1 LYS 166 HA -0.27 0.15 0.79 -0.75 4.32 4.23 1oc1A1 LYS 166 HB2 -0.43 -0.00 -0.08 -0.04 1.87 1.32 1oc1A1 LYS 166 HB3 -0.58 -0.14 0.09 -0.04 1.79 1.12 1oc1A1 LYS 166 HG2 -0.67 0.09 -0.23 -0.04 1.46 0.61 1oc1A1 LYS 166 HG3 -1.94 -0.06 -0.06 -0.04 1.46 -0.64 1oc1A1 LYS 166 HD2 -0.92 -0.09 -0.03 -0.04 1.69 0.61 1oc1A1 LYS 166 HD3 -0.56 0.10 -0.25 -0.04 1.68 0.93 1oc1A1 LYS 166 HE2 -1.07 0.11 -0.10 -0.04 2.99 1.89 1oc1A1 LYS 166 HE3 -2.15 -0.03 -0.06 -0.04 2.99 0.71 1oc1A1 GLU 167 H -0.09 0.10 0.10 -0.55 8.60 8.16 1oc1A1 GLU 167 HA -0.02 0.13 0.53 -0.75 4.29 4.18 1oc1A1 GLU 167 HB2 0.01 -0.08 0.09 -0.04 2.09 2.07 1oc1A1 GLU 167 HB3 -0.01 0.09 0.09 -0.04 1.99 2.11 1oc1A1 GLU 167 HG2 0.02 0.06 0.01 -0.04 2.34 2.39 1oc1A1 GLU 167 HG3 0.04 0.03 0.08 -0.04 2.34 2.45 1oc1A1 GLU 168 H 0.02 0.13 0.14 -0.55 8.60 8.34 1oc1A1 GLU 168 HA 0.05 0.18 0.10 -0.75 4.29 3.87 1oc1A1 GLU 168 HB2 0.04 0.05 0.12 -0.04 2.09 2.26 1oc1A1 GLU 168 HB3 0.02 0.04 0.11 -0.04 1.99 2.12 1oc1A1 GLU 168 HG2 0.02 -0.06 0.08 -0.04 2.34 2.35 1oc1A1 GLU 168 HG3 0.04 -0.00 -0.11 -0.04 2.34 2.22 1oc1A1 ASN 169 H 0.04 0.07 -0.20 -0.55 8.53 7.90 1oc1A1 ASN 169 HA 0.07 0.13 0.63 -0.75 4.76 4.84 1oc1A1 ASN 169 HB2 0.02 0.02 0.01 -0.04 2.88 2.89 1oc1A1 ASN 169 HB3 0.01 -0.02 0.10 -0.04 2.79 2.84 1oc1A1 ASN 169 HD21 0.05 0.07 -0.08 -0.04 7.03 7.03 1oc1A1 ASN 169 HD22 0.06 -0.05 -0.05 -0.04 7.74 7.66 1oc1A1 PHE 170 H 0.14 0.46 -0.49 -0.55 8.34 7.89 1oc1A1 PHE 170 HA -0.11 0.03 0.16 -0.75 4.62 3.94 1oc1A1 PHE 170 HB2 -0.21 0.08 0.06 -0.04 3.15 3.04 1oc1A1 PHE 170 HB3 -0.38 -0.02 0.05 -0.04 3.06 2.67 1oc1A1 PHE 170 HD2 -0.97 -0.06 -0.13 -0.04 7.28 6.09 1oc1A1 PHE 170 HE2 -0.21 0.02 -0.05 -0.04 7.38 7.10 1oc1A1 PHE 170 HZ -0.24 0.13 -0.03 -0.04 7.32 7.13 1oc1A1 PHE 171 H 0.17 0.14 -0.12 -0.55 8.34 7.98 1oc1A1 PHE 171 HA 0.12 0.19 0.85 -0.75 4.62 5.02 1oc1A1 PHE 171 HB2 0.12 0.05 0.03 -0.04 3.15 3.31 1oc1A1 PHE 171 HB3 0.07 -0.03 -0.07 -0.04 3.06 2.99 1oc1A1 PHE 171 HD2 0.21 0.06 0.01 -0.04 7.28 7.52 1oc1A1 PHE 171 HE2 0.32 0.05 -0.22 -0.04 7.38 7.49 1oc1A1 PHE 171 HZ 0.35 0.09 -0.11 -0.04 7.32 7.60 1oc1A1 ALA 172 H 0.22 0.13 -0.14 -0.55 8.40 8.06 1oc1A1 ALA 172 HA 0.21 0.04 0.29 -0.75 4.34 4.12 1oc1A1 ALA 172 HB3 0.12 0.02 0.06 -0.04 1.41 1.58 1oc1A1 ARG 173 H 0.00 0.55 -0.28 -0.55 8.46 8.17 1oc1A1 ARG 173 HA 0.01 0.08 0.48 -0.75 4.34 4.15 1oc1A1 ARG 173 HB2 -0.12 -0.06 0.07 -0.04 1.90 1.75 1oc1A1 ARG 173 HB3 -0.08 0.01 0.08 -0.04 1.80 1.76 1oc1A1 ARG 173 HG2 -0.39 0.17 -0.16 -0.04 1.67 1.24 1oc1A1 ARG 173 HG3 -0.79 -0.04 -0.56 -0.04 1.67 0.24 1oc1A1 ARG 173 HD2 -0.27 0.04 -0.08 -0.04 3.22 2.87 1oc1A1 ARG 173 HD3 -0.30 -0.05 -0.09 -0.04 3.22 2.73 1oc1A1 HIS 174 H 0.05 0.57 -0.36 -0.55 8.41 8.13 1oc1A1 HIS 174 HA 0.09 0.12 0.82 -0.75 4.63 4.90 1oc1A1 HIS 174 HB2 0.10 0.14 0.06 -0.04 3.26 3.52 1oc1A1 HIS 174 HB3 0.08 -0.20 0.18 -0.04 3.20 3.22 1oc1A1 HIS 174 HD2 0.04 -0.05 0.02 -0.04 6.97 6.94 1oc1A1 HIS 174 HE1 -0.22 0.04 0.00 -0.04 7.75 7.53 1oc1A1 PHE 175 H 0.27 0.44 -0.33 -0.55 8.34 8.16 1oc1A1 PHE 175 HA 0.12 0.01 0.77 -0.75 4.62 4.77 1oc1A1 PHE 175 HB2 0.02 -0.03 -0.09 -0.04 3.15 3.01 1oc1A1 PHE 175 HB3 0.00 0.11 0.21 -0.04 3.06 3.34 1oc1A1 PHE 175 HD2 -0.20 0.04 -0.02 -0.04 7.28 7.06 1oc1A1 PHE 175 HE2 -0.48 0.08 0.01 -0.04 7.38 6.95 1oc1A1 PHE 175 HZ 0.03 -0.00 -0.03 -0.04 7.32 7.27 1oc1A1 LYS 176 H 0.13 0.16 0.04 -0.55 8.42 8.20 1oc1A1 LYS 176 HA 0.18 0.30 0.74 -0.75 4.32 4.78 1oc1A1 LYS 176 HB2 0.12 -0.14 -0.01 -0.04 1.87 1.81 1oc1A1 LYS 176 HB3 0.07 -0.03 -0.00 -0.04 1.79 1.78 1oc1A1 LYS 176 HG2 0.09 0.15 -0.30 -0.04 1.46 1.36 1oc1A1 LYS 176 HG3 0.13 -0.04 -0.48 -0.04 1.46 1.02 1oc1A1 LYS 176 HD2 0.06 -0.08 -0.04 -0.04 1.69 1.60 1oc1A1 LYS 176 HD3 0.05 0.11 -0.02 -0.04 1.68 1.77 1oc1A1 LYS 176 HE2 0.09 -0.04 -0.03 -0.04 2.99 2.97 1oc1A1 LYS 176 HE3 0.09 0.08 0.00 -0.04 2.99 3.12 1oc1A1 PRO 177 HA -0.05 0.10 0.48 -0.51 4.44 4.46 1oc1A1 PRO 177 HB2 -0.35 0.02 0.05 -0.04 2.28 1.96 1oc1A1 PRO 177 HB3 -0.99 0.05 0.10 -0.04 2.02 1.13 1oc1A1 PRO 177 HG2 -0.37 0.05 0.08 -0.04 2.03 1.76 1oc1A1 PRO 177 HG3 -0.82 0.07 0.07 -0.04 2.03 1.32 1oc1A1 PRO 177 HD2 -0.07 0.09 0.21 -0.04 3.68 3.87 1oc1A1 PRO 177 HD3 0.05 0.25 0.23 -0.04 3.65 4.14 1oc1A1 ASP 178 H 0.02 0.08 -0.29 -0.55 8.40 7.66 1oc1A1 ASP 178 HA 0.13 0.12 0.25 -0.75 4.63 4.38 1oc1A1 ASP 178 HB2 0.11 0.03 0.09 -0.04 2.71 2.90 1oc1A1 ASP 178 HB3 0.03 -0.01 0.06 -0.04 2.70 2.74 1oc1A1 ASP 179 H 0.17 0.17 -0.26 -0.55 8.40 7.93 1oc1A1 ASP 179 HA 0.50 0.27 0.93 -0.75 4.63 5.57 1oc1A1 ASP 179 HB2 0.33 -0.06 0.11 -0.04 2.71 3.05 1oc1A1 ASP 179 HB3 0.26 -0.00 -0.27 -0.04 2.70 2.65 1oc1A1 THR 180 H 0.15 0.27 0.07 -0.55 8.28 8.22 1oc1A1 THR 180 HA 0.18 0.03 0.06 -0.75 4.39 3.90 1oc1A1 THR 180 HB 0.14 -0.09 0.12 -0.04 4.32 4.45 1oc1A1 THR 180 HG23 0.24 0.01 0.00 -0.04 1.22 1.44 1oc1A1 LEU 181 H 0.10 0.42 0.04 -0.55 8.37 8.39 1oc1A1 LEU 181 HA 0.18 0.13 0.56 -0.75 4.35 4.47 1oc1A1 LEU 181 HB2 0.08 0.09 0.08 -0.04 1.64 1.85 1oc1A1 LEU 181 HB3 0.10 -0.01 0.14 -0.04 1.64 1.83 1oc1A1 LEU 181 HG 0.15 0.04 0.03 -0.04 1.64 1.82 1oc1A1 LEU 181 HD13 0.25 -0.03 -0.14 -0.04 0.93 0.96 1oc1A1 LEU 181 HD23 -0.40 0.02 -0.07 -0.04 0.89 0.40 1oc1A1 ALA 182 H 0.13 -0.01 -0.45 -0.55 8.40 7.53 1oc1A1 ALA 182 HA -0.11 0.16 0.45 -0.75 4.34 4.08 1oc1A1 ALA 182 HB3 -0.28 -0.02 0.09 -0.04 1.41 1.16 1oc1A1 SER 183 H -0.22 0.27 0.37 -0.55 8.46 8.33 1oc1A1 SER 183 HA 0.05 0.26 1.05 -0.75 4.49 5.10 1oc1A1 SER 183 HB2 -0.00 0.09 0.03 -0.04 3.95 4.02 1oc1A1 SER 183 HB3 0.02 0.05 -0.10 -0.04 3.93 3.87 1oc1A1 VAL 184 H -0.22 0.66 0.39 -0.55 8.24 8.52 1oc1A1 VAL 184 HA 0.02 0.28 0.95 -0.75 4.13 4.62 1oc1A1 VAL 184 HB -1.16 -0.03 0.16 -0.04 2.12 1.04 1oc1A1 VAL 184 HG13 0.11 -0.00 -0.13 -0.04 0.97 0.90 1oc1A1 VAL 184 HG23 -0.03 -0.01 -0.05 -0.04 0.95 0.81 1oc1A1 VAL 185 H -0.02 0.60 0.23 -0.55 8.24 8.50 1oc1A1 VAL 185 HA -0.06 0.24 0.90 -0.75 4.13 4.45 1oc1A1 VAL 185 HB 0.01 -0.01 0.12 -0.04 2.12 2.19 1oc1A1 VAL 185 HG13 -0.18 -0.00 -0.20 -0.04 0.97 0.55 1oc1A1 VAL 185 HG23 0.06 -0.00 -0.16 -0.04 0.95 0.81 1oc1A1 LEU 186 H 0.15 0.82 0.29 -0.55 8.37 9.09 1oc1A1 LEU 186 HA 0.18 0.12 0.98 -0.75 4.35 4.88 1oc1A1 LEU 186 HB2 0.39 -0.04 0.30 -0.04 1.64 2.25 1oc1A1 LEU 186 HB3 0.21 -0.01 0.09 -0.04 1.64 1.90 1oc1A1 LEU 186 HG 0.41 0.06 -0.04 -0.04 1.64 2.02 1oc1A1 LEU 186 HD13 0.37 -0.02 -0.01 -0.04 0.93 1.23 1oc1A1 LEU 186 HD23 0.18 0.01 -0.09 -0.04 0.89 0.95 1oc1A1 ILE 187 H 0.12 0.69 0.30 -0.55 8.25 8.82 1oc1A1 ILE 187 HA -0.05 0.22 1.10 -0.75 4.18 4.70 1oc1A1 ILE 187 HB 0.03 -0.05 0.25 -0.04 1.89 2.08 1oc1A1 ILE 187 HG12 -0.14 0.01 -0.12 -0.04 1.49 1.20 1oc1A1 ILE 187 HG13 -0.02 -0.02 -0.14 -0.04 1.21 0.99 1oc1A1 ILE 187 HG23 -0.38 0.01 -0.19 -0.04 0.93 0.33 1oc1A1 ILE 187 HD13 -0.04 -0.03 -0.07 -0.04 0.88 0.71 1oc1A1 ARG 188 H -0.27 0.72 0.42 -0.55 8.46 8.78 1oc1A1 ARG 188 HA -0.08 0.16 1.03 -0.75 4.34 4.69 1oc1A1 ARG 188 HB2 -1.20 -0.05 0.03 -0.04 1.90 0.64 1oc1A1 ARG 188 HB3 -0.44 0.03 0.18 -0.04 1.80 1.53 1oc1A1 ARG 188 HG2 -0.11 -0.01 -0.41 -0.04 1.67 1.10 1oc1A1 ARG 188 HG3 -0.08 0.01 -0.05 -0.04 1.67 1.50 1oc1A1 ARG 188 HD2 -0.14 -0.03 -0.08 -0.04 3.22 2.93 1oc1A1 ARG 188 HD3 -0.16 0.03 -0.05 -0.04 3.22 3.00 1oc1A1 TYR 189 H 0.13 0.63 0.22 -0.55 8.29 8.73 1oc1A1 TYR 189 HA 0.04 0.16 0.81 -0.75 4.56 4.81 1oc1A1 TYR 189 HB2 0.03 -0.08 0.04 -0.04 3.06 3.01 1oc1A1 TYR 189 HB3 0.06 0.11 0.03 -0.04 2.98 3.14 1oc1A1 TYR 189 HD2 0.08 -0.01 -0.11 -0.04 7.15 7.06 1oc1A1 TYR 189 HE2 0.06 -0.00 -0.08 -0.04 6.85 6.79 1oc1A1 PRO 190 HA 0.10 -0.02 0.51 -0.51 4.44 4.53 1oc1A1 PRO 190 HB2 0.03 0.11 -0.13 -0.04 2.28 2.25 1oc1A1 PRO 190 HB3 0.01 0.03 -0.01 -0.04 2.02 2.01 1oc1A1 PRO 190 HG2 0.00 -0.07 -0.13 -0.04 2.03 1.80 1oc1A1 PRO 190 HG3 -0.04 0.16 0.00 -0.04 2.03 2.11 1oc1A1 PRO 190 HD2 0.17 0.01 0.03 -0.04 3.68 3.84 1oc1A1 PRO 190 HD3 -0.01 0.30 -0.04 -0.04 3.65 3.86 1oc1A1 TYR 191 H 0.21 0.07 0.06 -0.55 8.29 8.09 1oc1A1 TYR 191 HA 0.14 0.10 0.53 -0.75 4.56 4.57 1oc1A1 TYR 191 HB2 0.04 -0.14 0.02 -0.04 3.06 2.93 1oc1A1 TYR 191 HB3 0.04 -0.01 0.10 -0.04 2.98 3.07 1oc1A1 TYR 191 HD2 0.03 0.07 -0.21 -0.04 7.15 7.01 1oc1A1 TYR 191 HE2 0.04 0.01 -0.08 -0.04 6.85 6.78 1oc1A1 LEU 192 H -0.14 0.25 -0.00 -0.55 8.37 7.93 1oc1A1 LEU 192 HA -0.28 0.12 0.61 -0.75 4.35 4.04 1oc1A1 LEU 192 HB2 -0.36 -0.05 -0.08 -0.04 1.64 1.11 1oc1A1 LEU 192 HB3 -0.20 0.09 -0.14 -0.04 1.64 1.35 1oc1A1 LEU 192 HG -0.11 -0.02 -0.78 -0.04 1.64 0.68 1oc1A1 LEU 192 HD13 -0.40 0.01 -0.09 -0.04 0.93 0.40 1oc1A1 LEU 192 HD23 -0.10 0.01 -0.01 -0.04 0.89 0.75 1oc1A1 ASP 193 H -0.19 0.29 -0.07 -0.55 8.40 7.88 1oc1A1 ASP 193 HA -0.01 -0.02 0.60 -0.75 4.63 4.44 1oc1A1 ASP 193 HB2 -0.24 0.01 -0.27 -0.04 2.71 2.17 1oc1A1 ASP 193 HB3 -0.01 0.01 0.06 -0.04 2.70 2.71 1oc1A1 PRO 194 HA 0.04 0.04 0.34 -0.51 4.44 4.35 1oc1A1 PRO 194 HB2 0.02 0.08 -0.12 -0.04 2.28 2.22 1oc1A1 PRO 194 HB3 0.02 0.02 0.06 -0.04 2.02 2.08 1oc1A1 PRO 194 HG2 -0.01 0.02 0.04 -0.04 2.03 2.04 1oc1A1 PRO 194 HG3 0.00 0.03 0.07 -0.04 2.03 2.09 1oc1A1 PRO 194 HD2 -0.01 0.08 0.18 -0.04 3.68 3.89 1oc1A1 PRO 194 HD3 0.01 0.10 0.31 -0.04 3.65 4.03 1oc1A1 TYR 195 H 0.18 0.11 0.08 -0.55 8.29 8.11 1oc1A1 TYR 195 HA 0.02 0.12 0.44 -0.75 4.56 4.37 1oc1A1 TYR 195 HB2 0.19 0.11 0.12 -0.04 3.06 3.44 1oc1A1 TYR 195 HB3 0.10 -0.06 -0.02 -0.04 2.98 2.96 1oc1A1 TYR 195 HD2 0.07 0.02 -0.19 -0.04 7.15 7.01 1oc1A1 TYR 195 HE2 0.18 0.13 -0.09 -0.04 6.85 7.03 1oc1A1 PRO 196 HA -0.01 0.03 0.30 -0.51 4.44 4.25 1oc1A1 PRO 196 HB2 -0.04 0.07 -0.36 -0.04 2.28 1.91 1oc1A1 PRO 196 HB3 -0.07 -0.06 -0.11 -0.04 2.02 1.74 1oc1A1 PRO 196 HG2 -0.21 0.04 -0.05 -0.04 2.03 1.77 1oc1A1 PRO 196 HG3 -0.22 -0.01 -0.15 -0.04 2.03 1.62 1oc1A1 PRO 196 HD2 -1.05 0.11 0.10 -0.04 3.68 2.79 1oc1A1 PRO 196 HD3 -0.28 0.19 0.13 -0.04 3.65 3.65 1oc1A1 GLU 197 H -0.01 0.14 0.21 -0.55 8.60 8.40 1oc1A1 GLU 197 HA -0.08 0.10 0.43 -0.75 4.29 3.98 1oc1A1 GLU 197 HB2 -0.04 -0.02 0.13 -0.04 2.09 2.12 1oc1A1 GLU 197 HB3 -0.07 0.04 0.09 -0.04 1.99 2.01 1oc1A1 GLU 197 HG2 -0.08 0.08 0.05 -0.04 2.34 2.36 1oc1A1 GLU 197 HG3 -0.04 -0.02 0.11 -0.04 2.34 2.35 1oc1A1 ALA 198 H -0.01 0.08 -0.15 -0.55 8.40 7.77 1oc1A1 ALA 198 HA -0.02 0.08 0.46 -0.75 4.34 4.11 1oc1A1 ALA 198 HB3 -0.00 -0.00 0.15 -0.04 1.41 1.51 1oc1A1 ALA 199 H 0.04 0.17 -0.48 -0.55 8.40 7.57 1oc1A1 ALA 199 HA 0.08 0.16 0.78 -0.75 4.34 4.61 1oc1A1 ALA 199 HB3 0.15 -0.01 0.03 -0.04 1.41 1.54 1oc1A1 ILE 200 H -0.02 0.36 -0.31 -0.55 8.25 7.73 1oc1A1 ILE 200 HA -0.03 0.30 1.01 -0.75 4.18 4.70 1oc1A1 ILE 200 HB -0.27 0.05 0.12 -0.04 1.89 1.76 1oc1A1 ILE 200 HG12 -1.12 -0.03 -0.12 -0.04 1.49 0.18 1oc1A1 ILE 200 HG13 -0.19 0.01 -0.28 -0.04 1.21 0.71 1oc1A1 ILE 200 HG23 -0.34 -0.04 -0.16 -0.04 0.93 0.35 1oc1A1 ILE 200 HD13 -1.18 -0.04 -0.14 -0.04 0.88 -0.52 1oc1A1 LYS 201 H -0.00 0.67 0.27 -0.55 8.42 8.81 1oc1A1 LYS 201 HA -0.03 0.13 0.78 -0.75 4.32 4.44 1oc1A1 LYS 201 HB2 0.00 -0.02 -0.10 -0.04 1.87 1.72 1oc1A1 LYS 201 HB3 -0.02 -0.04 -0.10 -0.04 1.79 1.58 1oc1A1 LYS 201 HG2 -0.04 -0.03 -0.07 -0.04 1.46 1.27 1oc1A1 LYS 201 HG3 -0.01 0.12 -0.34 -0.04 1.46 1.19 1oc1A1 LYS 201 HD2 -0.02 -0.09 -0.27 -0.04 1.69 1.28 1oc1A1 LYS 201 HD3 -0.07 -0.02 -0.11 -0.04 1.68 1.44 1oc1A1 LYS 201 HE2 0.01 -0.01 -0.06 -0.04 2.99 2.89 1oc1A1 LYS 201 HE3 0.05 0.02 -0.27 -0.04 2.99 2.74 1oc1A1 THR 202 H -0.03 0.20 0.10 -0.55 8.28 8.01 1oc1A1 THR 202 HA -0.02 0.22 0.85 -0.75 4.39 4.68 1oc1A1 THR 202 HB -0.02 -0.02 0.10 -0.04 4.32 4.33 1oc1A1 THR 202 HG23 -0.02 0.07 -0.17 -0.04 1.22 1.05 1oc1A1 ALA 203 H -0.01 0.67 0.08 -0.55 8.40 8.60 1oc1A1 ALA 203 HA 0.02 0.12 0.51 -0.75 4.34 4.23 1oc1A1 ALA 203 HB3 -0.05 -0.04 0.07 -0.04 1.41 1.35 1oc1A1 ALA 204 H 0.03 0.16 0.14 -0.55 8.40 8.18 1oc1A1 ALA 204 HA 0.02 0.14 0.44 -0.75 4.34 4.18 1oc1A1 ALA 204 HB3 0.03 0.01 0.09 -0.04 1.41 1.50 1oc1A1 ASP 205 H -0.00 -0.02 -0.32 -0.55 8.40 7.51 1oc1A1 ASP 205 HA 0.01 0.26 0.79 -0.75 4.63 4.94 1oc1A1 ASP 205 HB2 0.02 0.07 0.14 -0.04 2.71 2.90 1oc1A1 ASP 205 HB3 0.03 -0.00 0.02 -0.04 2.70 2.71 1oc1A1 GLY 206 H -0.00 0.58 -0.41 -0.55 8.43 8.05 1oc1A1 GLY 206 HA2 -0.00 0.06 0.21 -0.51 4.01 3.76 1oc1A1 GLY 206 HA3 0.00 0.13 0.52 -0.51 4.01 4.15 1oc1A1 THR 207 H -0.01 -0.07 -0.41 -0.55 8.28 7.24 1oc1A1 THR 207 HA 0.02 0.09 0.34 -0.75 4.39 4.08 1oc1A1 THR 207 HB -0.05 -0.12 -0.00 -0.04 4.32 4.11 1oc1A1 THR 207 HG23 0.00 0.05 -0.13 -0.04 1.22 1.10 1oc1A1 LYS 208 H 0.07 0.12 0.23 -0.55 8.42 8.28 1oc1A1 LYS 208 HA -0.00 0.22 0.77 -0.75 4.32 4.56 1oc1A1 LYS 208 HB2 0.26 -0.02 0.18 -0.04 1.87 2.25 1oc1A1 LYS 208 HB3 -0.01 0.03 0.02 -0.04 1.79 1.78 1oc1A1 LYS 208 HG2 -0.10 0.04 -0.01 -0.04 1.46 1.35 1oc1A1 LYS 208 HG3 0.01 0.03 0.10 -0.04 1.46 1.55 1oc1A1 LYS 208 HD2 0.04 -0.03 0.02 -0.04 1.69 1.68 1oc1A1 LYS 208 HD3 -0.55 0.01 -0.03 -0.04 1.68 1.07 1oc1A1 LYS 208 HE2 -0.19 -0.03 -0.01 -0.04 2.99 2.71 1oc1A1 LYS 208 HE3 -0.16 0.02 -0.02 -0.04 2.99 2.78 1oc1A1 LEU 209 H 0.03 0.85 0.42 -0.55 8.37 9.13 1oc1A1 LEU 209 HA 0.12 0.02 1.06 -0.75 4.35 4.80 1oc1A1 LEU 209 HB2 0.04 -0.04 -0.12 -0.04 1.64 1.48 1oc1A1 LEU 209 HB3 0.08 0.12 -0.12 -0.04 1.64 1.68 1oc1A1 LEU 209 HG 0.01 0.11 -0.24 -0.04 1.64 1.48 1oc1A1 LEU 209 HD13 0.00 -0.02 -0.18 -0.04 0.93 0.69 1oc1A1 LEU 209 HD23 0.00 0.01 -0.37 -0.04 0.89 0.49 1oc1A1 SER 210 H 0.17 0.38 -0.06 -0.55 8.46 8.40 1oc1A1 SER 210 HA 0.26 0.31 0.94 -0.75 4.49 5.25 1oc1A1 SER 210 HB2 0.14 0.02 -0.03 -0.04 3.95 4.04 1oc1A1 SER 210 HB3 0.48 -0.01 0.04 -0.04 3.93 4.40 1oc1A1 PHE 211 H 0.25 0.34 0.17 -0.55 8.34 8.54 1oc1A1 PHE 211 HA 0.06 0.17 0.64 -0.75 4.62 4.74 1oc1A1 PHE 211 HB2 0.17 0.01 -0.30 -0.04 3.15 2.99 1oc1A1 PHE 211 HB3 0.13 -0.11 0.05 -0.04 3.06 3.08 1oc1A1 PHE 211 HD2 0.01 0.04 -0.05 -0.04 7.28 7.24 1oc1A1 PHE 211 HE2 -0.52 0.03 -0.09 -0.04 7.38 6.76 1oc1A1 PHE 211 HZ -0.22 -0.02 -0.07 -0.04 7.32 6.98 1oc1A1 GLU 212 H -0.58 0.22 0.07 -0.55 8.60 7.77 1oc1A1 GLU 212 HA 0.00 0.01 0.38 -0.75 4.29 3.92 1oc1A1 GLU 212 HB2 -0.38 0.09 0.06 -0.04 2.09 1.82 1oc1A1 GLU 212 HB3 -0.27 0.01 0.06 -0.04 1.99 1.76 1oc1A1 GLU 212 HG2 -0.01 -0.08 -0.04 -0.04 2.34 2.17 1oc1A1 GLU 212 HG3 -0.07 -0.04 -0.15 -0.04 2.34 2.05 1oc1A1 TRP 213 H 0.23 -0.00 0.10 -0.55 7.97 7.75 1oc1A1 TRP 213 HA 0.09 0.30 0.28 -0.75 4.62 4.54 1oc1A1 TRP 213 HB2 0.15 -0.00 -0.01 -0.04 3.23 3.32 1oc1A1 TRP 213 HB3 0.08 -0.08 0.04 -0.04 3.23 3.23 1oc1A1 TRP 213 HD1 0.01 -0.06 0.03 -0.04 7.22 7.16 1oc1A1 TRP 213 HE1 0.01 0.00 -0.01 -0.04 10.20 10.16 1oc1A1 TRP 213 HE3 0.04 0.03 -0.31 -0.04 7.59 7.31 1oc1A1 TRP 213 HZ2 0.01 -0.00 -0.03 -0.04 7.44 7.38 1oc1A1 TRP 213 HZ3 0.03 -0.02 -0.10 -0.04 7.13 7.00 1oc1A1 TRP 213 HH2 0.02 -0.00 -0.05 -0.04 7.19 7.12 1oc1A1 HIS 214 H 0.04 0.45 0.42 -0.55 8.41 8.77 1oc1A1 HIS 214 HA -0.08 -0.02 0.35 -0.75 4.63 4.14 1oc1A1 HIS 214 HB2 -0.06 0.01 0.10 -0.04 3.26 3.27 1oc1A1 HIS 214 HB3 -0.18 0.20 -0.11 -0.04 3.20 3.06 1oc1A1 HIS 214 HD2 0.06 0.02 -0.62 -0.04 6.97 6.38 1oc1A1 HIS 214 HE1 0.24 -0.09 -0.21 -0.04 7.75 7.64 1oc1A1 GLU 215 H 0.15 0.13 0.13 -0.55 8.60 8.46 1oc1A1 GLU 215 HA 0.08 0.31 0.71 -0.75 4.29 4.64 1oc1A1 GLU 215 HB2 0.14 -0.05 0.03 -0.04 2.09 2.17 1oc1A1 GLU 215 HB3 0.14 -0.02 0.02 -0.04 1.99 2.09 1oc1A1 GLU 215 HG2 0.15 0.28 -0.12 -0.04 2.34 2.61 1oc1A1 GLU 215 HG3 0.23 -0.11 -0.08 -0.04 2.34 2.34 1oc1A1 ASP 216 H 0.24 0.25 0.06 -0.55 8.40 8.40 1oc1A1 ASP 216 HA 0.26 0.13 0.51 -0.75 4.63 4.78 1oc1A1 ASP 216 HB2 0.21 0.04 -0.02 -0.04 2.71 2.89 1oc1A1 ASP 216 HB3 0.26 -0.01 -0.27 -0.04 2.70 2.64 1oc1A1 VAL 217 H -0.02 0.24 0.06 -0.55 8.24 7.97 1oc1A1 VAL 217 HA 0.12 0.04 0.75 -0.75 4.13 4.28 1oc1A1 VAL 217 HB -0.20 0.02 0.14 -0.04 2.12 2.04 1oc1A1 VAL 217 HG13 -0.36 -0.00 -0.09 -0.04 0.97 0.48 1oc1A1 VAL 217 HG23 -0.12 0.05 -0.08 -0.04 0.95 0.76 1oc1A1 SER 218 H 0.29 0.27 0.02 -0.55 8.46 8.50 1oc1A1 SER 218 HA 0.25 0.11 0.17 -0.75 4.49 4.26 1oc1A1 SER 218 HB2 0.11 0.14 0.04 -0.04 3.95 4.19 1oc1A1 SER 218 HB3 0.27 0.18 -0.14 -0.04 3.93 4.20 1oc1A1 LEU 219 H 0.07 0.65 0.26 -0.55 8.37 8.81 1oc1A1 LEU 219 HA 0.06 -0.02 0.76 -0.75 4.35 4.40 1oc1A1 LEU 219 HB2 0.02 -0.06 0.11 -0.04 1.64 1.67 1oc1A1 LEU 219 HB3 -0.19 0.12 0.18 -0.04 1.64 1.71 1oc1A1 LEU 219 HG -0.40 0.03 -0.20 -0.04 1.64 1.03 1oc1A1 LEU 219 HD13 -0.11 -0.01 -0.04 -0.04 0.93 0.73 1oc1A1 LEU 219 HD23 -0.28 -0.01 -0.09 -0.04 0.89 0.47 1oc1A1 ILE 220 H -0.17 0.29 0.28 -0.55 8.25 8.10 1oc1A1 ILE 220 HA -0.15 0.18 0.68 -0.75 4.18 4.13 1oc1A1 ILE 220 HB -0.19 0.13 0.08 -0.04 1.89 1.87 1oc1A1 ILE 220 HG12 -0.29 -0.09 -0.03 -0.04 1.49 1.03 1oc1A1 ILE 220 HG13 -0.18 -0.01 -0.33 -0.04 1.21 0.65 1oc1A1 ILE 220 HG23 -0.64 -0.02 -0.23 -0.04 0.93 0.01 1oc1A1 ILE 220 HD13 -0.09 0.01 -0.12 -0.04 0.88 0.64 1oc1A1 THR 221 H -0.11 0.73 0.35 -0.55 8.28 8.71 1oc1A1 THR 221 HA -0.10 0.18 1.03 -0.75 4.39 4.75 1oc1A1 THR 221 HB -0.04 0.03 0.07 -0.04 4.32 4.33 1oc1A1 THR 221 HG23 -0.17 0.01 -0.18 -0.04 1.22 0.84 1oc1A1 VAL 222 H -0.10 0.64 0.31 -0.55 8.24 8.54 1oc1A1 VAL 222 HA -0.01 0.17 0.84 -0.75 4.13 4.38 1oc1A1 VAL 222 HB 0.08 0.01 0.22 -0.04 2.12 2.38 1oc1A1 VAL 222 HG13 -0.19 -0.01 -0.10 -0.04 0.97 0.63 1oc1A1 VAL 222 HG23 -0.05 -0.01 -0.19 -0.04 0.95 0.66 1oc1A1 LEU 223 H 0.10 0.64 0.25 -0.55 8.37 8.82 1oc1A1 LEU 223 HA 0.13 0.20 0.90 -0.75 4.35 4.81 1oc1A1 LEU 223 HB2 -0.02 -0.04 -0.14 -0.04 1.64 1.40 1oc1A1 LEU 223 HB3 0.02 0.13 0.12 -0.04 1.64 1.87 1oc1A1 LEU 223 HG -0.00 -0.06 -0.54 -0.04 1.64 0.99 1oc1A1 LEU 223 HD13 0.02 0.00 -0.26 -0.04 0.93 0.65 1oc1A1 LEU 223 HD23 0.02 0.00 -0.13 -0.04 0.89 0.74 1oc1A1 TYR 224 H 0.23 0.50 0.25 -0.55 8.29 8.71 1oc1A1 TYR 224 HA -0.22 0.23 0.98 -0.75 4.56 4.79 1oc1A1 TYR 224 HB2 -0.61 -0.03 0.05 -0.04 3.06 2.43 1oc1A1 TYR 224 HB3 -0.05 0.03 0.16 -0.04 2.98 3.08 1oc1A1 TYR 224 HD2 -0.24 0.01 -0.20 -0.04 7.15 6.68 1oc1A1 TYR 224 HE2 -0.04 0.05 -0.16 -0.04 6.85 6.66 1oc1A1 GLN 225 H -0.69 0.33 0.18 -0.55 8.47 7.75 1oc1A1 GLN 225 HA -0.18 0.21 0.87 -0.75 4.36 4.50 1oc1A1 GLN 225 HB2 -0.16 -0.06 0.07 -0.04 2.15 1.96 1oc1A1 GLN 225 HB3 -0.11 0.13 0.14 -0.04 2.02 2.14 1oc1A1 GLN 225 HG2 -0.03 0.01 0.01 -0.04 2.40 2.35 1oc1A1 GLN 225 HG3 -0.06 -0.07 -0.25 -0.04 2.39 1.98 1oc1A1 GLN 225 HE21 0.01 0.01 -0.07 -0.04 6.97 6.87 1oc1A1 GLN 225 HE22 0.05 -0.04 -0.03 -0.04 7.69 7.62 1oc1A1 SER 226 H -0.09 0.34 0.23 -0.55 8.46 8.39 1oc1A1 SER 226 HA -0.06 0.03 0.54 -0.75 4.49 4.25 1oc1A1 SER 226 HB2 -0.03 0.04 -0.07 -0.04 3.95 3.86 1oc1A1 SER 226 HB3 -0.01 0.00 0.01 -0.04 3.93 3.90 1oc1A1 ASN 227 H -0.03 0.14 0.08 -0.55 8.53 8.18 1oc1A1 ASN 227 HA -0.08 0.06 0.30 -0.75 4.76 4.29 1oc1A1 ASN 227 HB2 -0.03 -0.03 0.16 -0.04 2.88 2.94 1oc1A1 ASN 227 HB3 -0.03 0.06 0.23 -0.04 2.79 3.01 1oc1A1 ASN 227 HD21 -0.04 0.01 -0.00 -0.04 7.03 6.96 1oc1A1 ASN 227 HD22 -0.03 0.04 0.11 -0.04 7.74 7.82 1oc1A1 VAL 228 H -0.06 0.55 -0.23 -0.55 8.24 7.94 1oc1A1 VAL 228 HA -0.06 0.11 0.67 -0.75 4.13 4.09 1oc1A1 VAL 228 HB -0.06 -0.00 -0.06 -0.04 2.12 1.95 1oc1A1 VAL 228 HG13 -0.09 0.05 -0.19 -0.04 0.97 0.69 1oc1A1 VAL 228 HG23 -0.04 -0.01 -0.22 -0.04 0.95 0.63 1oc1A1 GLN 229 H -0.06 0.10 0.04 -0.55 8.47 8.01 1oc1A1 GLN 229 HA -0.05 0.04 0.48 -0.75 4.36 4.07 1oc1A1 GLN 229 HB2 -0.04 -0.08 0.12 -0.04 2.15 2.10 1oc1A1 GLN 229 HB3 -0.05 0.03 0.07 -0.04 2.02 2.03 1oc1A1 GLN 229 HG2 -0.03 0.20 0.08 -0.04 2.40 2.61 1oc1A1 GLN 229 HG3 -0.03 -0.06 -0.08 -0.04 2.39 2.19 1oc1A1 GLN 229 HE21 -0.03 0.08 -0.20 -0.04 6.97 6.77 1oc1A1 GLN 229 HE22 -0.04 0.32 0.01 -0.04 7.69 7.95 1oc1A1 ASN 230 H -0.06 -0.01 0.26 -0.55 8.53 8.18 1oc1A1 ASN 230 HA -0.07 0.10 0.44 -0.75 4.76 4.47 1oc1A1 ASN 230 HB2 -0.13 0.08 0.06 -0.04 2.88 2.85 1oc1A1 ASN 230 HB3 -0.13 0.09 -0.26 -0.04 2.79 2.45 1oc1A1 ASN 230 HD21 -0.06 -0.05 0.00 -0.04 7.03 6.87 1oc1A1 ASN 230 HD22 -0.08 0.33 -0.00 -0.04 7.74 7.94 1oc1A1 LEU 231 H -0.05 0.02 0.24 -0.55 8.37 8.02 1oc1A1 LEU 231 HA 0.02 0.26 0.62 -0.75 4.35 4.49 1oc1A1 LEU 231 HB2 -0.11 -0.03 0.15 -0.04 1.64 1.60 1oc1A1 LEU 231 HB3 -0.15 0.07 -0.01 -0.04 1.64 1.51 1oc1A1 LEU 231 HG -0.01 -0.07 -0.05 -0.04 1.64 1.47 1oc1A1 LEU 231 HD13 -0.06 0.00 -0.08 -0.04 0.93 0.76 1oc1A1 LEU 231 HD23 0.15 0.04 -0.13 -0.04 0.89 0.91 1oc1A1 GLN 232 H 0.07 0.64 0.41 -0.55 8.47 9.04 1oc1A1 GLN 232 HA 0.01 0.24 0.87 -0.75 4.36 4.73 1oc1A1 GLN 232 HB2 0.09 -0.05 -0.04 -0.04 2.15 2.11 1oc1A1 GLN 232 HB3 0.22 -0.03 -0.14 -0.04 2.02 2.03 1oc1A1 GLN 232 HG2 0.03 0.01 -0.27 -0.04 2.40 2.13 1oc1A1 GLN 232 HG3 0.02 0.04 -0.41 -0.04 2.39 1.99 1oc1A1 GLN 232 HE21 0.02 -0.02 -0.16 -0.04 6.97 6.77 1oc1A1 GLN 232 HE22 0.02 -0.01 -0.22 -0.04 7.69 7.45 1oc1A1 VAL 233 H 0.03 0.59 0.29 -0.55 8.24 8.60 1oc1A1 VAL 233 HA 0.18 0.27 1.12 -0.75 4.13 4.95 1oc1A1 VAL 233 HB -0.22 -0.04 -0.07 -0.04 2.12 1.76 1oc1A1 VAL 233 HG13 -0.05 -0.03 -0.05 -0.04 0.97 0.81 1oc1A1 VAL 233 HG23 0.22 0.10 -0.07 -0.04 0.95 1.16 1oc1A1 GLU 234 H -0.01 0.67 0.23 -0.55 8.60 8.95 1oc1A1 GLU 234 HA -0.68 -0.00 0.60 -0.75 4.29 3.46 1oc1A1 GLU 234 HB2 -0.62 -0.05 0.01 -0.04 2.09 1.40 1oc1A1 GLU 234 HB3 -0.25 -0.01 0.09 -0.04 1.99 1.78 1oc1A1 GLU 234 HG2 -0.39 0.13 -0.15 -0.04 2.34 1.89 1oc1A1 GLU 234 HG3 -1.09 -0.09 -0.08 -0.04 2.34 1.03 1oc1A1 THR 235 H -0.20 0.53 0.20 -0.55 8.28 8.26 1oc1A1 THR 235 HA -0.07 0.25 0.74 -0.75 4.39 4.56 1oc1A1 THR 235 HB -0.04 -0.07 0.16 -0.04 4.32 4.33 1oc1A1 THR 235 HG23 -0.02 0.05 -0.12 -0.04 1.22 1.09 1oc1A1 ALA 236 H -0.05 0.22 0.14 -0.55 8.40 8.16 1oc1A1 ALA 236 HA -0.06 0.08 0.42 -0.75 4.34 4.02 1oc1A1 ALA 236 HB3 -0.03 0.02 0.11 -0.04 1.41 1.46 1oc1A1 ALA 237 H -0.04 0.04 -0.33 -0.55 8.40 7.51 1oc1A1 ALA 237 HA -0.03 0.17 0.72 -0.75 4.34 4.45 1oc1A1 ALA 237 HB3 -0.02 -0.00 0.04 -0.04 1.41 1.39 1oc1A1 GLY 238 H -0.09 0.55 -0.24 -0.55 8.43 8.11 1oc1A1 GLY 238 HA2 -0.07 -0.00 0.29 -0.51 4.01 3.71 1oc1A1 GLY 238 HA3 -0.00 0.21 0.89 -0.51 4.01 4.59 1oc1A1 TYR 239 H 0.18 0.08 0.12 -0.55 8.29 8.12 1oc1A1 TYR 239 HA 0.00 0.24 0.67 -0.75 4.56 4.71 1oc1A1 TYR 239 HB2 0.01 -0.04 0.07 -0.04 3.06 3.06 1oc1A1 TYR 239 HB3 0.01 0.03 -0.17 -0.04 2.98 2.81 1oc1A1 TYR 239 HD2 0.01 -0.00 -0.24 -0.04 7.15 6.87 1oc1A1 TYR 239 HE2 0.01 0.01 -0.18 -0.04 6.85 6.65 1oc1A1 GLN 240 H 0.06 0.60 0.34 -0.55 8.47 8.93 1oc1A1 GLN 240 HA 0.04 0.22 0.92 -0.75 4.36 4.78 1oc1A1 GLN 240 HB2 -0.00 -0.06 -0.03 -0.04 2.15 2.02 1oc1A1 GLN 240 HB3 0.01 0.05 -0.34 -0.04 2.02 1.70 1oc1A1 GLN 240 HG2 0.01 -0.01 -0.28 -0.04 2.40 2.08 1oc1A1 GLN 240 HG3 -0.01 0.11 -0.39 -0.04 2.39 2.06 1oc1A1 GLN 240 HE21 -0.01 -0.04 -0.06 -0.04 6.97 6.82 1oc1A1 GLN 240 HE22 -0.00 0.02 -0.14 -0.04 7.69 7.52 1oc1A1 ASP 241 H 0.01 0.56 0.19 -0.55 8.40 8.62 1oc1A1 ASP 241 HA -0.01 0.17 0.59 -0.75 4.63 4.63 1oc1A1 ASP 241 HB2 -0.00 0.02 0.05 -0.04 2.71 2.74 1oc1A1 ASP 241 HB3 -0.01 -0.03 -0.18 -0.04 2.70 2.43 1oc1A1 ILE 242 H -0.07 0.79 0.28 -0.55 8.25 8.70 1oc1A1 ILE 242 HA -0.06 0.08 0.90 -0.75 4.18 4.34 1oc1A1 ILE 242 HB -0.19 -0.05 0.05 -0.04 1.89 1.65 1oc1A1 ILE 242 HG12 -0.32 0.01 -0.15 -0.04 1.49 0.99 1oc1A1 ILE 242 HG13 -0.23 -0.01 -0.25 -0.04 1.21 0.68 1oc1A1 ILE 242 HG23 -0.16 0.03 -0.17 -0.04 0.93 0.59 1oc1A1 ILE 242 HD13 -1.00 -0.00 -0.23 -0.04 0.88 -0.40 1oc1A1 GLU 243 H 0.03 0.17 0.10 -0.55 8.60 8.35 1oc1A1 GLU 243 HA 0.00 -0.02 0.42 -0.75 4.29 3.93 1oc1A1 GLU 243 HB2 0.01 0.01 0.09 -0.04 2.09 2.15 1oc1A1 GLU 243 HB3 0.03 0.01 0.12 -0.04 1.99 2.10 1oc1A1 GLU 243 HG2 0.16 -0.04 0.03 -0.04 2.34 2.46 1oc1A1 GLU 243 HG3 0.09 0.08 -0.41 -0.04 2.34 2.06 1oc1A1 ALA 244 H -0.01 0.03 0.13 -0.55 8.40 8.00 1oc1A1 ALA 244 HA 0.04 0.17 0.53 -0.75 4.34 4.32 1oc1A1 ALA 244 HB3 -0.05 0.00 -0.12 -0.04 1.41 1.20 1oc1A1 ASP 245 H -0.11 0.31 -0.09 -0.55 8.40 7.96 1oc1A1 ASP 245 HA -0.18 0.04 0.31 -0.75 4.63 4.04 1oc1A1 ASP 245 HB2 -0.66 0.21 -0.07 -0.04 2.71 2.15 1oc1A1 ASP 245 HB3 -1.20 0.04 0.12 -0.04 2.70 1.62 1oc1A1 ASP 246 H -0.09 0.16 0.02 -0.55 8.40 7.95 1oc1A1 ASP 246 HA -0.21 0.40 0.71 -0.75 4.63 4.78 1oc1A1 ASP 246 HB2 0.01 0.04 0.20 -0.04 2.71 2.92 1oc1A1 ASP 246 HB3 -0.09 -0.04 0.00 -0.04 2.70 2.53 1oc1A1 THR 247 H -0.04 -0.02 -0.41 -0.55 8.28 7.26 1oc1A1 THR 247 HA 0.15 0.18 0.80 -0.75 4.39 4.76 1oc1A1 THR 247 HB 0.05 -0.05 0.13 -0.04 4.32 4.41 1oc1A1 THR 247 HG23 0.01 -0.00 -0.05 -0.04 1.22 1.14 1oc1A1 GLY 248 H -0.03 0.25 -0.03 -0.55 8.43 8.08 1oc1A1 GLY 248 HA2 0.39 0.14 0.98 -0.51 4.01 5.02 1oc1A1 GLY 248 HA3 0.17 -0.01 0.25 -0.51 4.01 3.92 1oc1A1 TYR 249 H 0.48 0.44 0.30 -0.55 8.29 8.95 1oc1A1 TYR 249 HA 0.15 0.34 0.94 -0.75 4.56 5.24 1oc1A1 TYR 249 HB2 0.07 -0.06 0.15 -0.04 3.06 3.18 1oc1A1 TYR 249 HB3 0.01 0.00 -0.08 -0.04 2.98 2.87 1oc1A1 TYR 249 HD2 -0.28 -0.03 -0.31 -0.04 7.15 6.48 1oc1A1 TYR 249 HE2 -0.22 -0.01 -0.13 -0.04 6.85 6.45 1oc1A1 LEU 250 H 0.08 0.66 0.34 -0.55 8.37 8.91 1oc1A1 LEU 250 HA -0.45 0.17 0.81 -0.75 4.35 4.12 1oc1A1 LEU 250 HB2 -0.23 -0.01 0.06 -0.04 1.64 1.42 1oc1A1 LEU 250 HB3 -0.06 -0.05 0.15 -0.04 1.64 1.64 1oc1A1 LEU 250 HG 0.05 0.06 -0.22 -0.04 1.64 1.49 1oc1A1 LEU 250 HD13 -0.63 0.03 -0.10 -0.04 0.93 0.19 1oc1A1 LEU 250 HD23 -0.15 -0.01 -0.11 -0.04 0.89 0.58 1oc1A1 ILE 251 H -0.46 0.78 0.46 -0.55 8.25 8.48 1oc1A1 ILE 251 HA -0.22 0.37 1.07 -0.75 4.18 4.64 1oc1A1 ILE 251 HB -1.65 -0.03 0.07 -0.04 1.89 0.23 1oc1A1 ILE 251 HG12 -0.50 0.10 -0.02 -0.04 1.49 1.03 1oc1A1 ILE 251 HG13 -0.42 -0.06 -0.06 -0.04 1.21 0.64 1oc1A1 ILE 251 HG23 -0.07 -0.00 -0.04 -0.04 0.93 0.77 1oc1A1 ILE 251 HD13 -0.05 0.01 -0.29 -0.04 0.88 0.50 1oc1A1 ASN 252 H -0.22 0.40 0.38 -0.55 8.53 8.54 1oc1A1 ASN 252 HA -0.34 0.24 0.50 -0.75 4.76 4.40 1oc1A1 ASN 252 HB2 -0.82 0.15 0.23 -0.04 2.88 2.40 1oc1A1 ASN 252 HB3 -1.54 0.02 0.07 -0.04 2.79 1.30 1oc1A1 ASN 252 HD21 -0.00 -0.18 -0.20 -0.04 7.03 6.61 1oc1A1 ASN 252 HD22 -0.18 0.52 -0.21 -0.04 7.74 7.83 1oc1A1 CYS 253 H -0.19 0.33 0.26 -0.55 8.50 8.35 1oc1A1 CYS 253 HA -0.18 0.04 0.77 -0.75 4.58 4.47 1oc1A1 CYS 253 HB2 -0.05 0.24 0.11 -0.04 2.97 3.22 1oc1A1 CYS 253 HB3 -0.05 0.04 0.01 -0.04 2.97 2.93 1oc1A1 GLY 254 H -0.04 0.46 -0.02 -0.55 8.43 8.28 1oc1A1 GLY 254 HA2 0.09 0.15 0.77 -0.51 4.01 4.51 1oc1A1 GLY 254 HA3 0.11 -0.05 0.10 -0.51 4.01 3.66 1oc1A1 SER 255 H 0.18 0.62 0.29 -0.55 8.46 9.00 1oc1A1 SER 255 HA 0.08 0.02 0.22 -0.75 4.49 4.07 1oc1A1 SER 255 HB2 0.16 -0.01 0.10 -0.04 3.95 4.16 1oc1A1 SER 255 HB3 0.15 0.05 0.10 -0.04 3.93 4.19 1oc1A1 TYR 256 H 0.09 0.35 -0.08 -0.55 8.29 8.10 1oc1A1 TYR 256 HA -0.39 0.09 0.62 -0.75 4.56 4.12 1oc1A1 TYR 256 HB2 -0.99 -0.02 -0.02 -0.04 3.06 1.99 1oc1A1 TYR 256 HB3 -0.15 -0.01 0.03 -0.04 2.98 2.82 1oc1A1 TYR 256 HD2 -0.76 -0.01 -0.07 -0.04 7.15 6.27 1oc1A1 TYR 256 HE2 -0.06 0.02 -0.07 -0.04 6.85 6.69 1oc1A1 MET 257 H 0.01 0.39 -0.01 -0.55 8.47 8.32 1oc1A1 MET 257 HA -0.05 -0.00 0.48 -0.75 4.52 4.19 1oc1A1 MET 257 HB2 -0.15 0.04 0.19 -0.04 2.15 2.19 1oc1A1 MET 257 HB3 -0.04 0.17 0.12 -0.04 2.03 2.24 1oc1A1 MET 257 HG2 0.02 0.01 -0.05 -0.04 2.63 2.57 1oc1A1 MET 257 HG3 0.07 0.03 -0.14 -0.04 2.56 2.48 1oc1A1 MET 257 HE3 -0.78 -0.01 -0.08 -0.04 2.10 1.18 1oc1A1 ALA 258 H -0.00 0.22 -0.20 -0.55 8.40 7.87 1oc1A1 ALA 258 HA -0.01 0.19 0.49 -0.75 4.34 4.25 1oc1A1 ALA 258 HB3 0.03 -0.00 0.06 -0.04 1.41 1.45 1oc1A1 HIS 259 H -0.02 0.62 -0.06 -0.55 8.41 8.40 1oc1A1 HIS 259 HA -0.13 -0.00 0.57 -0.75 4.63 4.31 1oc1A1 HIS 259 HB2 -0.15 -0.03 0.13 -0.04 3.26 3.16 1oc1A1 HIS 259 HB3 -0.45 0.07 0.23 -0.04 3.20 3.01 1oc1A1 HIS 259 HD2 -0.09 -0.07 0.02 -0.04 6.97 6.78 1oc1A1 HIS 259 HE1 -0.15 -0.11 0.01 -0.04 7.75 7.46 1oc1A1 LEU 260 H -0.32 0.57 -0.08 -0.55 8.37 7.99 1oc1A1 LEU 260 HA -0.48 0.03 0.40 -0.75 4.35 3.55 1oc1A1 LEU 260 HB2 -0.06 0.07 0.08 -0.04 1.64 1.70 1oc1A1 LEU 260 HB3 0.05 -0.04 -0.00 -0.04 1.64 1.61 1oc1A1 LEU 260 HG -0.48 0.22 0.09 -0.04 1.64 1.42 1oc1A1 LEU 260 HD13 0.43 -0.05 -0.06 -0.04 0.93 1.21 1oc1A1 LEU 260 HD23 -0.10 -0.02 -0.12 -0.04 0.89 0.61 1oc1A1 THR 261 H -0.26 0.31 -0.39 -0.55 8.28 7.38 1oc1A1 THR 261 HA -0.84 0.25 0.77 -0.75 4.39 3.81 1oc1A1 THR 261 HB -0.22 -0.05 0.16 -0.04 4.32 4.17 1oc1A1 THR 261 HG23 -0.18 0.05 -0.05 -0.04 1.22 1.00 1oc1A1 ASN 262 H -0.28 0.35 -0.26 -0.55 8.53 7.80 1oc1A1 ASN 262 HA -0.11 0.01 0.35 -0.75 4.76 4.25 1oc1A1 ASN 262 HB2 -0.16 0.09 -0.11 -0.04 2.88 2.66 1oc1A1 ASN 262 HB3 -0.11 0.06 0.06 -0.04 2.79 2.76 1oc1A1 ASN 262 HD21 -0.03 -0.06 0.03 -0.04 7.03 6.93 1oc1A1 ASN 262 HD22 -0.05 0.02 0.01 -0.04 7.74 7.68 1oc1A1 ASN 263 H -0.07 0.56 -0.09 -0.55 8.53 8.39 1oc1A1 ASN 263 HA 0.01 -0.02 0.09 -0.75 4.76 4.10 1oc1A1 ASN 263 HB2 -0.00 -0.07 -0.43 -0.04 2.88 2.34 1oc1A1 ASN 263 HB3 0.01 0.08 0.04 -0.04 2.79 2.88 1oc1A1 ASN 263 HD21 0.01 -0.03 -0.02 -0.04 7.03 6.95 1oc1A1 ASN 263 HD22 0.01 0.02 -0.02 -0.04 7.74 7.71 1oc1A1 TYR 264 H 0.06 0.45 -0.49 -0.55 8.29 7.76 1oc1A1 TYR 264 HA 0.01 0.05 0.53 -0.75 4.56 4.40 1oc1A1 TYR 264 HB2 -0.09 0.01 0.10 -0.04 3.06 3.05 1oc1A1 TYR 264 HB3 -0.18 -0.03 0.11 -0.04 2.98 2.83 1oc1A1 TYR 264 HD2 -0.27 -0.03 -0.08 -0.04 7.15 6.73 1oc1A1 TYR 264 HE2 0.01 -0.01 -0.06 -0.04 6.85 6.75 1oc1A1 TYR 265 H 0.11 0.07 -0.15 -0.55 8.29 7.77 1oc1A1 TYR 265 HA -0.08 0.28 0.75 -0.75 4.56 4.77 1oc1A1 TYR 265 HB2 0.05 -0.07 0.00 -0.04 3.06 3.00 1oc1A1 TYR 265 HB3 0.03 0.04 -0.09 -0.04 2.98 2.92 1oc1A1 TYR 265 HD2 0.00 0.08 -0.22 -0.04 7.15 6.97 1oc1A1 TYR 265 HE2 0.16 -0.00 -0.11 -0.04 6.85 6.86 1oc1A1 LYS 266 H 0.04 0.31 -0.06 -0.55 8.42 8.15 1oc1A1 LYS 266 HA 0.04 -0.05 0.22 -0.75 4.32 3.77 1oc1A1 LYS 266 HB2 0.00 0.07 -0.07 -0.04 1.87 1.83 1oc1A1 LYS 266 HB3 0.02 -0.02 -0.12 -0.04 1.79 1.63 1oc1A1 LYS 266 HG2 0.02 -0.06 -0.03 -0.04 1.46 1.35 1oc1A1 LYS 266 HG3 0.01 0.17 -0.07 -0.04 1.46 1.53 1oc1A1 LYS 266 HD2 -0.01 0.05 -0.01 -0.04 1.69 1.68 1oc1A1 LYS 266 HD3 -0.00 -0.08 -0.03 -0.04 1.68 1.53 1oc1A1 LYS 266 HE2 -0.01 -0.05 0.02 -0.04 2.99 2.90 1oc1A1 LYS 266 HE3 -0.00 -0.09 0.00 -0.04 2.99 2.86 1oc1A1 ALA 267 H 0.04 0.05 0.02 -0.55 8.40 7.97 1oc1A1 ALA 267 HA 0.01 0.29 0.60 -0.75 4.34 4.48 1oc1A1 ALA 267 HB3 0.08 -0.04 -0.13 -0.04 1.41 1.28 1oc1A1 PRO 268 HA 0.07 0.01 0.38 -0.51 4.44 4.39 1oc1A1 PRO 268 HB2 0.26 0.02 -0.01 -0.04 2.28 2.51 1oc1A1 PRO 268 HB3 0.03 0.20 0.16 -0.04 2.02 2.38 1oc1A1 PRO 268 HG2 -0.28 -0.08 0.09 -0.04 2.03 1.71 1oc1A1 PRO 268 HG3 -0.54 0.14 0.12 -0.04 2.03 1.71 1oc1A1 PRO 268 HD2 -0.11 0.30 0.36 -0.04 3.68 4.19 1oc1A1 PRO 268 HD3 -0.10 0.34 0.24 -0.04 3.65 4.09 1oc1A1 ILE 269 H 0.10 0.13 0.24 -0.55 8.25 8.17 1oc1A1 ILE 269 HA 0.17 0.27 0.69 -0.75 4.18 4.55 1oc1A1 ILE 269 HB 0.01 -0.03 0.16 -0.04 1.89 2.00 1oc1A1 ILE 269 HG12 0.26 -0.02 -0.15 -0.04 1.49 1.54 1oc1A1 ILE 269 HG13 0.10 0.10 0.01 -0.04 1.21 1.37 1oc1A1 ILE 269 HG23 0.25 -0.04 -0.13 -0.04 0.93 0.97 1oc1A1 ILE 269 HD13 -0.11 -0.01 -0.04 -0.04 0.88 0.67 1oc1A1 HIS 270 H -0.17 0.60 0.43 -0.55 8.41 8.73 1oc1A1 HIS 270 HA 0.25 0.10 0.86 -0.75 4.63 5.09 1oc1A1 HIS 270 HB2 0.11 0.04 0.16 -0.04 3.26 3.54 1oc1A1 HIS 270 HB3 0.27 0.02 -0.15 -0.04 3.20 3.29 1oc1A1 HIS 270 HD2 0.21 -0.04 -0.23 -0.04 6.97 6.87 1oc1A1 HIS 270 HE1 0.06 -0.17 -0.05 -0.04 7.75 7.54 1oc1A1 ARG 271 H 0.27 0.55 0.35 -0.55 8.46 9.09 1oc1A1 ARG 271 HA 0.32 0.28 0.50 -0.75 4.34 4.69 1oc1A1 ARG 271 HB2 0.13 0.19 0.00 -0.04 1.90 2.18 1oc1A1 ARG 271 HB3 0.21 -0.07 -0.38 -0.04 1.80 1.51 1oc1A1 ARG 271 HG2 0.04 -0.03 -0.16 -0.04 1.67 1.48 1oc1A1 ARG 271 HG3 -0.00 0.02 -0.36 -0.04 1.67 1.28 1oc1A1 ARG 271 HD2 -0.15 0.03 -0.16 -0.04 3.22 2.90 1oc1A1 ARG 271 HD3 -0.55 -0.05 -0.16 -0.04 3.22 2.42 1oc1A1 VAL 272 H 0.23 0.70 0.21 -0.55 8.24 8.82 1oc1A1 VAL 272 HA 0.08 0.16 0.84 -0.75 4.13 4.46 1oc1A1 VAL 272 HB 0.23 -0.12 0.18 -0.04 2.12 2.37 1oc1A1 VAL 272 HG13 -0.16 0.04 -0.15 -0.04 0.97 0.66 1oc1A1 VAL 272 HG23 0.21 0.01 -0.18 -0.04 0.95 0.95 1oc1A1 LYS 273 H 0.01 0.69 0.26 -0.55 8.42 8.82 1oc1A1 LYS 273 HA 0.06 0.10 0.65 -0.75 4.32 4.38 1oc1A1 LYS 273 HB2 -0.04 -0.03 0.05 -0.04 1.87 1.80 1oc1A1 LYS 273 HB3 0.01 0.12 0.02 -0.04 1.79 1.90 1oc1A1 LYS 273 HG2 0.01 -0.06 -0.06 -0.04 1.46 1.30 1oc1A1 LYS 273 HG3 -0.00 0.16 -0.05 -0.04 1.46 1.53 1oc1A1 LYS 273 HD2 0.00 0.02 -0.04 -0.04 1.69 1.63 1oc1A1 LYS 273 HD3 0.00 -0.07 -0.12 -0.04 1.68 1.46 1oc1A1 LYS 273 HE2 -0.02 0.00 -0.26 -0.04 2.99 2.67 1oc1A1 LYS 273 HE3 -0.04 0.06 -0.15 -0.04 2.99 2.81 1oc1A1 TRP 274 H 0.23 0.59 0.19 -0.55 7.97 8.44 1oc1A1 TRP 274 HA -0.09 0.07 0.56 -0.75 4.62 4.41 1oc1A1 TRP 274 HB2 -0.07 0.07 -0.38 -0.04 3.23 2.81 1oc1A1 TRP 274 HB3 -0.09 -0.01 -0.15 -0.04 3.23 2.93 1oc1A1 TRP 274 HD1 -0.29 0.07 -0.13 -0.04 7.22 6.83 1oc1A1 TRP 274 HE1 -2.63 0.00 -0.17 -0.04 10.20 7.36 1oc1A1 TRP 274 HE3 -0.10 0.00 -0.06 -0.04 7.59 7.39 1oc1A1 TRP 274 HZ2 -0.32 -0.00 -0.05 -0.04 7.44 7.02 1oc1A1 TRP 274 HZ3 -0.07 -0.01 -0.03 -0.04 7.13 6.98 1oc1A1 TRP 274 HH2 -0.08 -0.02 -0.02 -0.04 7.19 7.03 1oc1A1 VAL 275 H -0.44 0.31 0.09 -0.55 8.24 7.65 1oc1A1 VAL 275 HA -0.90 0.09 0.48 -0.75 4.13 3.05 1oc1A1 VAL 275 HB -0.28 0.02 -0.01 -0.04 2.12 1.81 1oc1A1 VAL 275 HG13 -0.25 -0.02 -0.16 -0.04 0.97 0.49 1oc1A1 VAL 275 HG23 -0.21 0.08 -0.23 -0.04 0.95 0.55 1oc1A1 ASN 276 H -0.93 0.15 -0.02 -0.55 8.53 7.19 1oc1A1 ASN 276 HA -0.22 0.20 0.65 -0.75 4.76 4.64 1oc1A1 ASN 276 HB2 -0.46 0.00 0.07 -0.04 2.88 2.46 1oc1A1 ASN 276 HB3 -0.12 -0.03 0.22 -0.04 2.79 2.81 1oc1A1 ASN 276 HD21 0.01 0.41 0.05 -0.04 7.03 7.46 1oc1A1 ASN 276 HD22 0.20 -0.07 0.05 -0.04 7.74 7.88 1oc1A1 ALA 277 H 0.00 0.62 -0.00 -0.55 8.40 8.48 1oc1A1 ALA 277 HA 0.12 -0.00 0.60 -0.75 4.34 4.30 1oc1A1 ALA 277 HB3 -0.05 0.03 -0.25 -0.04 1.41 1.09 1oc1A1 GLU 278 H 0.07 0.07 0.10 -0.55 8.60 8.29 1oc1A1 GLU 278 HA 0.12 0.21 0.56 -0.75 4.29 4.42 1oc1A1 GLU 278 HB2 0.10 -0.07 0.17 -0.04 2.09 2.25 1oc1A1 GLU 278 HB3 0.04 -0.02 0.16 -0.04 1.99 2.12 1oc1A1 GLU 278 HG2 0.06 -0.01 0.02 -0.04 2.34 2.36 1oc1A1 GLU 278 HG3 0.07 0.05 -0.05 -0.04 2.34 2.37 1oc1A1 ARG 279 H 0.11 0.66 0.43 -0.55 8.46 9.10 1oc1A1 ARG 279 HA 0.07 -0.02 0.50 -0.75 4.34 4.13 1oc1A1 ARG 279 HB2 0.02 -0.16 0.09 -0.04 1.90 1.81 1oc1A1 ARG 279 HB3 0.02 0.11 -0.64 -0.04 1.80 1.25 1oc1A1 ARG 279 HG2 0.12 0.08 -0.06 -0.04 1.67 1.78 1oc1A1 ARG 279 HG3 0.07 -0.03 -0.20 -0.04 1.67 1.46 1oc1A1 ARG 279 HD2 -0.08 -0.03 -0.14 -0.04 3.22 2.93 1oc1A1 ARG 279 HD3 -0.07 0.02 -0.19 -0.04 3.22 2.93 1oc1A1 GLN 280 H 0.08 0.09 0.24 -0.55 8.47 8.34 1oc1A1 GLN 280 HA 0.17 0.43 1.16 -0.75 4.36 5.36 1oc1A1 GLN 280 HB2 0.16 -0.18 0.05 -0.04 2.15 2.15 1oc1A1 GLN 280 HB3 0.20 0.09 0.01 -0.04 2.02 2.28 1oc1A1 GLN 280 HG2 0.22 0.13 -0.15 -0.04 2.40 2.56 1oc1A1 GLN 280 HG3 0.14 -0.11 -0.23 -0.04 2.39 2.15 1oc1A1 GLN 280 HE21 0.11 0.28 0.10 -0.04 6.97 7.42 1oc1A1 GLN 280 HE22 0.19 0.02 -0.13 -0.04 7.69 7.73 1oc1A1 SER 281 H 0.16 0.68 0.29 -0.55 8.46 9.05 1oc1A1 SER 281 HA 0.07 0.11 0.85 -0.75 4.49 4.77 1oc1A1 SER 281 HB2 0.19 0.01 -0.11 -0.04 3.95 4.00 1oc1A1 SER 281 HB3 0.20 0.01 0.10 -0.04 3.93 4.20 1oc1A1 LEU 282 H 0.10 0.64 0.21 -0.55 8.37 8.78 1oc1A1 LEU 282 HA 0.10 0.49 1.16 -0.75 4.35 5.35 1oc1A1 LEU 282 HB2 0.21 -0.10 0.26 -0.04 1.64 1.97 1oc1A1 LEU 282 HB3 0.11 0.00 0.13 -0.04 1.64 1.85 1oc1A1 LEU 282 HG 0.22 -0.01 -0.24 -0.04 1.64 1.57 1oc1A1 LEU 282 HD13 0.13 -0.02 -0.12 -0.04 0.93 0.88 1oc1A1 LEU 282 HD23 0.19 0.08 -0.21 -0.04 0.89 0.91 1oc1A1 PRO 283 HA -0.07 0.07 0.74 -0.51 4.44 4.67 1oc1A1 PRO 283 HB2 -1.14 0.00 -0.15 -0.04 2.28 0.95 1oc1A1 PRO 283 HB3 -0.29 0.01 -0.02 -0.04 2.02 1.67 1oc1A1 PRO 283 HG2 -0.12 -0.03 0.07 -0.04 2.03 1.92 1oc1A1 PRO 283 HG3 -0.03 0.06 -0.04 -0.04 2.03 1.98 1oc1A1 PRO 283 HD2 0.01 0.44 0.25 -0.04 3.68 4.34 1oc1A1 PRO 283 HD3 0.02 0.00 -0.33 -0.04 3.65 3.30 1oc1A1 PHE 284 H -0.04 0.59 0.32 -0.55 8.34 8.66 1oc1A1 PHE 284 HA -0.23 0.35 0.96 -0.75 4.62 4.95 1oc1A1 PHE 284 HB2 -0.13 -0.00 0.12 -0.04 3.15 3.10 1oc1A1 PHE 284 HB3 -0.17 -0.04 0.28 -0.04 3.06 3.09 1oc1A1 PHE 284 HD2 -0.26 0.01 -0.11 -0.04 7.28 6.87 1oc1A1 PHE 284 HE2 -0.60 -0.01 -0.20 -0.04 7.38 6.53 1oc1A1 PHE 284 HZ -0.25 -0.03 -0.10 -0.04 7.32 6.89 1oc1A1 PHE 285 H -0.30 0.64 0.22 -0.55 8.34 8.35 1oc1A1 PHE 285 HA -0.17 0.10 0.88 -0.75 4.62 4.68 1oc1A1 PHE 285 HB2 -0.16 -0.05 0.20 -0.04 3.15 3.11 1oc1A1 PHE 285 HB3 -0.09 0.08 0.04 -0.04 3.06 3.06 1oc1A1 PHE 285 HD2 -0.05 0.00 -0.10 -0.04 7.28 7.08 1oc1A1 PHE 285 HE2 -0.00 0.01 -0.12 -0.04 7.38 7.22 1oc1A1 PHE 285 HZ -0.02 0.03 -0.10 -0.04 7.32 7.19 1oc1A1 VAL 286 H -0.18 0.62 0.36 -0.55 8.24 8.50 1oc1A1 VAL 286 HA -0.44 0.06 0.51 -0.75 4.13 3.50 1oc1A1 VAL 286 HB -0.29 -0.13 0.29 -0.04 2.12 1.96 1oc1A1 VAL 286 HG13 -0.85 -0.00 -0.15 -0.04 0.97 -0.08 1oc1A1 VAL 286 HG23 -0.22 0.03 -0.06 -0.04 0.95 0.67 1oc1A1 ASN 287 H -0.13 0.25 0.29 -0.55 8.53 8.40 1oc1A1 ASN 287 HA -0.38 0.04 0.82 -0.75 4.76 4.48 1oc1A1 ASN 287 HB2 -0.02 -0.09 -0.42 -0.04 2.88 2.31 1oc1A1 ASN 287 HB3 -0.06 0.05 -0.06 -0.04 2.79 2.68 1oc1A1 ASN 287 HD21 0.05 -0.01 -0.07 -0.04 7.03 6.95 1oc1A1 ASN 287 HD22 0.05 0.55 -0.15 -0.04 7.74 8.14 1oc1A1 LEU 288 H -1.83 0.10 0.09 -0.55 8.37 6.17 1oc1A1 LEU 288 HA 0.03 0.16 0.56 -0.75 4.35 4.35 1oc1A1 LEU 288 HB2 -0.46 0.02 0.14 -0.04 1.64 1.30 1oc1A1 LEU 288 HB3 -0.02 0.02 0.23 -0.04 1.64 1.82 1oc1A1 LEU 288 HG -0.47 -0.09 -0.04 -0.04 1.64 1.00 1oc1A1 LEU 288 HD13 0.10 0.01 -0.01 -0.04 0.93 0.99 1oc1A1 LEU 288 HD23 0.06 0.01 -0.31 -0.04 0.89 0.61 1oc1A1 GLY 289 H 0.09 0.21 0.23 -0.55 8.43 8.42 1oc1A1 GLY 289 HA2 0.20 0.38 0.69 -0.51 4.01 4.76 1oc1A1 GLY 289 HA3 0.19 -0.00 0.33 -0.51 4.01 4.02 1oc1A1 TYR 290 H 0.40 0.25 0.18 -0.55 8.29 8.56 1oc1A1 TYR 290 HA 0.18 0.05 0.20 -0.75 4.56 4.24 1oc1A1 TYR 290 HB2 0.37 0.12 0.14 -0.04 3.06 3.64 1oc1A1 TYR 290 HB3 0.19 -0.04 0.12 -0.04 2.98 3.22 1oc1A1 TYR 290 HD2 0.14 0.02 -0.07 -0.04 7.15 7.19 1oc1A1 TYR 290 HE2 0.07 0.04 -0.06 -0.04 6.85 6.86 1oc1A1 ASP 291 H 0.24 0.06 -0.15 -0.55 8.40 8.00 1oc1A1 ASP 291 HA 0.02 0.19 0.90 -0.75 4.63 4.99 1oc1A1 ASP 291 HB2 0.09 0.04 0.13 -0.04 2.71 2.94 1oc1A1 ASP 291 HB3 0.17 0.02 0.02 -0.04 2.70 2.88 1oc1A1 SER 292 H 0.11 0.33 -0.21 -0.55 8.46 8.14 1oc1A1 SER 292 HA 0.01 0.05 0.44 -0.75 4.49 4.23 1oc1A1 SER 292 HB2 0.04 -0.02 0.16 -0.04 3.95 4.08 1oc1A1 SER 292 HB3 -0.15 0.03 0.07 -0.04 3.93 3.83 1oc1A1 VAL 293 H -0.07 0.16 0.07 -0.55 8.24 7.85 1oc1A1 VAL 293 HA 0.11 0.25 0.80 -0.75 4.13 4.54 1oc1A1 VAL 293 HB 0.04 0.01 0.20 -0.04 2.12 2.33 1oc1A1 VAL 293 HG13 0.06 -0.03 -0.26 -0.04 0.97 0.70 1oc1A1 VAL 293 HG23 0.03 0.04 -0.05 -0.04 0.95 0.93 1oc1A1 ILE 294 H 0.01 0.07 -0.05 -0.55 8.25 7.73 1oc1A1 ILE 294 HA -0.08 0.00 0.55 -0.75 4.18 3.90 1oc1A1 ILE 294 HB 0.16 -0.02 0.04 -0.04 1.89 2.03 1oc1A1 ILE 294 HG12 -0.33 0.08 0.06 -0.04 1.49 1.25 1oc1A1 ILE 294 HG13 -0.44 -0.17 0.05 -0.04 1.21 0.61 1oc1A1 ILE 294 HG23 0.11 0.05 -0.14 -0.04 0.93 0.91 1oc1A1 ILE 294 HD13 0.20 0.00 0.02 -0.04 0.88 1.06 1oc1A1 ASP 295 H 0.05 0.04 0.18 -0.55 8.40 8.12 1oc1A1 ASP 295 HA 0.06 0.10 0.56 -0.75 4.63 4.59 1oc1A1 ASP 295 HB2 0.07 -0.12 0.21 -0.04 2.71 2.83 1oc1A1 ASP 295 HB3 0.11 0.10 0.03 -0.04 2.70 2.89 1oc1A1 PRO 296 HA -0.16 0.08 0.57 -0.51 4.44 4.42 1oc1A1 PRO 296 HB2 -0.15 -0.02 -0.08 -0.04 2.28 2.00 1oc1A1 PRO 296 HB3 -0.42 0.13 0.05 -0.04 2.02 1.73 1oc1A1 PRO 296 HG2 -0.11 0.10 -0.57 -0.04 2.03 1.41 1oc1A1 PRO 296 HG3 -0.40 -0.03 -0.09 -0.04 2.03 1.46 1oc1A1 PRO 296 HD2 0.00 0.12 0.11 -0.04 3.68 3.88 1oc1A1 PRO 296 HD3 0.02 0.10 0.25 -0.04 3.65 3.98 1oc1A1 PHE 297 H -0.57 0.74 0.39 -0.55 8.34 8.35 1oc1A1 PHE 297 HA -0.06 0.07 0.72 -0.75 4.62 4.60 1oc1A1 PHE 297 HB2 -0.09 0.05 0.18 -0.04 3.15 3.25 1oc1A1 PHE 297 HB3 -0.03 0.00 -0.03 -0.04 3.06 2.96 1oc1A1 PHE 297 HD2 -0.05 0.08 -0.09 -0.04 7.28 7.19 1oc1A1 PHE 297 HE2 0.04 -0.05 -0.06 -0.04 7.38 7.28 1oc1A1 PHE 297 HZ -0.00 -0.08 -0.10 -0.04 7.32 7.10 1oc1A1 ASP 298 H 0.12 0.48 -0.10 -0.55 8.40 8.35 1oc1A1 ASP 298 HA -0.18 0.26 0.72 -0.75 4.63 4.67 1oc1A1 ASP 298 HB2 -0.08 -0.00 -0.47 -0.04 2.71 2.12 1oc1A1 ASP 298 HB3 -0.04 0.06 -0.17 -0.04 2.70 2.51 1oc1A1 PRO 299 HA -0.13 0.16 0.51 -0.51 4.44 4.46 1oc1A1 PRO 299 HB2 -0.85 0.02 0.00 -0.04 2.28 1.41 1oc1A1 PRO 299 HB3 -0.25 0.14 0.14 -0.04 2.02 2.02 1oc1A1 PRO 299 HG2 -0.39 0.02 0.04 -0.04 2.03 1.66 1oc1A1 PRO 299 HG3 0.10 0.06 0.02 -0.04 2.03 2.17 1oc1A1 PRO 299 HD2 -0.37 0.13 0.16 -0.04 3.68 3.56 1oc1A1 PRO 299 HD3 -0.28 0.21 0.08 -0.04 3.65 3.62 1oc1A1 ARG 300 H -0.19 0.07 -0.43 -0.55 8.46 7.36 1oc1A1 ARG 300 HA -0.13 0.16 0.68 -0.75 4.34 4.29 1oc1A1 ARG 300 HB2 -0.04 -0.01 -0.14 -0.04 1.90 1.67 1oc1A1 ARG 300 HB3 0.00 -0.03 0.05 -0.04 1.80 1.78 1oc1A1 ARG 300 HG2 0.14 0.02 0.01 -0.04 1.67 1.80 1oc1A1 ARG 300 HG3 -0.04 -0.02 -0.01 -0.04 1.67 1.56 1oc1A1 ARG 300 HD2 -0.00 -0.04 -0.03 -0.04 3.22 3.11 1oc1A1 ARG 300 HD3 0.04 -0.04 -0.01 -0.04 3.22 3.17 1oc1A1 GLU 301 H -0.08 0.33 -0.17 -0.55 8.60 8.14 1oc1A1 GLU 301 HA -0.03 0.17 0.66 -0.75 4.29 4.34 1oc1A1 GLU 301 HB2 -0.03 0.09 0.10 -0.04 2.09 2.20 1oc1A1 GLU 301 HB3 -0.02 -0.13 -0.01 -0.04 1.99 1.78 1oc1A1 GLU 301 HG2 -0.03 -0.04 -0.07 -0.04 2.34 2.15 1oc1A1 GLU 301 HG3 -0.02 0.12 0.01 -0.04 2.34 2.40 1oc1A1 PRO 302 HA -0.03 0.12 0.44 -0.51 4.44 4.46 1oc1A1 PRO 302 HB2 -0.02 -0.07 0.14 -0.04 2.28 2.29 1oc1A1 PRO 302 HB3 -0.02 0.04 0.10 -0.04 2.02 2.10 1oc1A1 PRO 302 HG2 -0.01 0.01 0.11 -0.04 2.03 2.10 1oc1A1 PRO 302 HG3 -0.02 0.07 0.11 -0.04 2.03 2.15 1oc1A1 PRO 302 HD2 -0.02 0.05 0.24 -0.04 3.68 3.91 1oc1A1 PRO 302 HD3 -0.02 0.30 0.25 -0.04 3.65 4.13 1oc1A1 ASN 303 H -0.02 0.07 -0.08 -0.55 8.53 7.95 1oc1A1 ASN 303 HA -0.02 0.15 0.52 -0.75 4.76 4.65 1oc1A1 ASN 303 HB2 -0.01 0.03 0.14 -0.04 2.88 3.00 1oc1A1 ASN 303 HB3 -0.01 -0.02 0.08 -0.04 2.79 2.80 1oc1A1 ASN 303 HD21 -0.01 0.02 -0.02 -0.04 7.03 6.98 1oc1A1 ASN 303 HD22 -0.01 0.00 0.01 -0.04 7.74 7.70 1oc1A1 GLY 304 H -0.03 0.46 -0.57 -0.55 8.43 7.74 1oc1A1 GLY 304 HA2 -0.02 0.32 0.34 -0.51 4.01 4.15 1oc1A1 GLY 304 HA3 -0.02 0.02 0.28 -0.51 4.01 3.78 1oc1A1 LYS 305 H -0.01 -0.07 -0.43 -0.55 8.42 7.35 1oc1A1 LYS 305 HA 0.02 0.19 0.51 -0.75 4.32 4.28 1oc1A1 LYS 305 HB2 -0.00 -0.11 -0.04 -0.04 1.87 1.67 1oc1A1 LYS 305 HB3 0.00 0.02 -0.12 -0.04 1.79 1.65 1oc1A1 LYS 305 HG2 0.01 0.04 -0.02 -0.04 1.46 1.45 1oc1A1 LYS 305 HG3 -0.00 0.21 -0.07 -0.04 1.46 1.56 1oc1A1 LYS 305 HD2 -0.00 -0.07 -0.04 -0.04 1.69 1.54 1oc1A1 LYS 305 HD3 0.00 -0.00 -0.03 -0.04 1.68 1.61 1oc1A1 LYS 305 HE2 -0.00 0.07 0.01 -0.04 2.99 3.02 1oc1A1 LYS 305 HE3 -0.01 -0.05 0.01 -0.04 2.99 2.90 1oc1A1 SER 306 H 0.01 0.32 0.14 -0.55 8.46 8.38 1oc1A1 SER 306 HA -0.03 0.13 0.92 -0.75 4.49 4.75 1oc1A1 SER 306 HB2 -0.08 0.03 -0.56 -0.04 3.95 3.30 1oc1A1 SER 306 HB3 -0.05 0.23 -0.30 -0.04 3.93 3.76 1oc1A1 ASP 307 H -0.02 0.13 0.08 -0.55 8.40 8.04 1oc1A1 ASP 307 HA -0.01 0.07 0.45 -0.75 4.63 4.39 1oc1A1 ASP 307 HB2 -0.01 -0.01 0.12 -0.04 2.71 2.76 1oc1A1 ASP 307 HB3 -0.00 0.00 -0.01 -0.04 2.70 2.64 1oc1A1 ARG 308 H -0.04 -0.00 -0.30 -0.55 8.46 7.56 1oc1A1 ARG 308 HA 0.01 -0.05 0.16 -0.75 4.34 3.71 1oc1A1 ARG 308 HB2 -0.14 0.04 -0.03 -0.04 1.90 1.73 1oc1A1 ARG 308 HB3 -0.00 0.09 -0.04 -0.04 1.80 1.81 1oc1A1 ARG 308 HG2 0.00 -0.04 0.02 -0.04 1.67 1.61 1oc1A1 ARG 308 HG3 -0.06 -0.10 0.04 -0.04 1.67 1.50 1oc1A1 ARG 308 HD2 -0.24 0.22 0.11 -0.04 3.22 3.26 1oc1A1 ARG 308 HD3 0.01 -0.03 0.06 -0.04 3.22 3.22 1oc1A1 GLU 309 H 0.07 0.01 0.16 -0.55 8.60 8.30 1oc1A1 GLU 309 HA 0.04 0.14 0.50 -0.75 4.29 4.21 1oc1A1 GLU 309 HB2 0.04 -0.09 0.16 -0.04 2.09 2.16 1oc1A1 GLU 309 HB3 0.05 0.08 0.05 -0.04 1.99 2.13 1oc1A1 GLU 309 HG2 0.02 -0.08 0.06 -0.04 2.34 2.30 1oc1A1 GLU 309 HG3 0.03 0.03 0.11 -0.04 2.34 2.47 1oc1A1 PRO 310 HA 0.12 0.15 0.55 -0.51 4.44 4.76 1oc1A1 PRO 310 HB2 0.05 -0.08 -0.02 -0.04 2.28 2.20 1oc1A1 PRO 310 HB3 0.06 0.09 -0.03 -0.04 2.02 2.10 1oc1A1 PRO 310 HG2 0.04 -0.03 0.09 -0.04 2.03 2.09 1oc1A1 PRO 310 HG3 0.04 0.08 0.12 -0.04 2.03 2.24 1oc1A1 PRO 310 HD2 0.04 0.01 0.25 -0.04 3.68 3.93 1oc1A1 PRO 310 HD3 0.03 0.27 0.27 -0.04 3.65 4.18 1oc1A1 LEU 311 H 0.18 0.28 0.09 -0.55 8.37 8.37 1oc1A1 LEU 311 HA 0.02 0.06 0.66 -0.75 4.35 4.34 1oc1A1 LEU 311 HB2 -0.16 0.12 -0.12 -0.04 1.64 1.43 1oc1A1 LEU 311 HB3 -0.29 -0.00 0.04 -0.04 1.64 1.35 1oc1A1 LEU 311 HG 0.04 0.06 -0.25 -0.04 1.64 1.45 1oc1A1 LEU 311 HD13 -0.03 -0.03 -0.03 -0.04 0.93 0.80 1oc1A1 LEU 311 HD23 -0.15 -0.01 -0.06 -0.04 0.89 0.63 1oc1A1 SER 312 H 0.01 0.10 0.09 -0.55 8.46 8.11 1oc1A1 SER 312 HA 0.06 0.30 0.47 -0.75 4.49 4.57 1oc1A1 SER 312 HB2 -0.08 0.12 0.15 -0.04 3.95 4.09 1oc1A1 SER 312 HB3 -0.02 0.06 0.07 -0.04 3.93 4.00 1oc1A1 TYR 313 H 0.08 0.60 0.26 -0.55 8.29 8.68 1oc1A1 TYR 313 HA -0.28 0.04 0.38 -0.75 4.56 3.95 1oc1A1 TYR 313 HB2 -0.21 0.05 0.17 -0.04 3.06 3.03 1oc1A1 TYR 313 HB3 -0.08 0.19 -0.05 -0.04 2.98 2.99 1oc1A1 TYR 313 HD2 -0.64 0.10 -0.12 -0.04 7.15 6.44 1oc1A1 TYR 313 HE2 -0.32 0.07 -0.06 -0.04 6.85 6.50 1oc1A1 GLY 314 H -0.16 0.48 -0.05 -0.55 8.43 8.15 1oc1A1 GLY 314 HA2 -0.01 0.05 0.32 -0.51 4.01 3.87 1oc1A1 GLY 314 HA3 -0.91 0.11 0.33 -0.51 4.01 3.03 1oc1A1 ASP 315 H -0.22 0.14 -0.16 -0.55 8.40 7.61 1oc1A1 ASP 315 HA -0.07 0.06 0.55 -0.75 4.63 4.42 1oc1A1 ASP 315 HB2 -0.05 0.08 0.08 -0.04 2.71 2.78 1oc1A1 ASP 315 HB3 -0.04 0.02 -0.00 -0.04 2.70 2.63 1oc1A1 TYR 316 H -0.02 0.59 -0.21 -0.55 8.29 8.09 1oc1A1 TYR 316 HA -0.13 0.03 0.35 -0.75 4.56 4.06 1oc1A1 TYR 316 HB2 -0.10 0.02 -0.00 -0.04 3.06 2.94 1oc1A1 TYR 316 HB3 -0.49 0.12 0.13 -0.04 2.98 2.70 1oc1A1 TYR 316 HD2 -0.64 0.06 -0.08 -0.04 7.15 6.44 1oc1A1 TYR 316 HE2 -0.11 -0.01 -0.18 -0.04 6.85 6.51 1oc1A1 LEU 317 H -0.15 0.46 -0.28 -0.55 8.37 7.85 1oc1A1 LEU 317 HA -0.46 -0.00 0.21 -0.75 4.35 3.34 1oc1A1 LEU 317 HB2 -0.01 0.02 0.04 -0.04 1.64 1.65 1oc1A1 LEU 317 HB3 0.01 0.09 0.10 -0.04 1.64 1.79 1oc1A1 LEU 317 HG -0.02 -0.02 -0.13 -0.04 1.64 1.44 1oc1A1 LEU 317 HD13 0.00 -0.02 -0.04 -0.04 0.93 0.83 1oc1A1 LEU 317 HD23 0.15 0.01 -0.03 -0.04 0.89 0.98 1oc1A1 GLN 318 H -0.08 0.45 -0.14 -0.55 8.47 8.16 1oc1A1 GLN 318 HA -0.04 0.05 0.40 -0.75 4.36 4.01 1oc1A1 GLN 318 HB2 0.05 0.13 0.11 -0.04 2.15 2.40 1oc1A1 GLN 318 HB3 -0.01 0.00 0.11 -0.04 2.02 2.09 1oc1A1 GLN 318 HG2 -0.01 -0.01 -0.08 -0.04 2.40 2.26 1oc1A1 GLN 318 HG3 0.02 -0.04 0.02 -0.04 2.39 2.35 1oc1A1 GLN 318 HE21 0.04 0.02 0.01 -0.04 6.97 6.99 1oc1A1 GLN 318 HE22 0.02 -0.00 -0.01 -0.04 7.69 7.65 1oc1A1 ASN 319 H -0.10 0.46 -0.02 -0.55 8.53 8.33 1oc1A1 ASN 319 HA -0.07 0.02 0.51 -0.75 4.76 4.46 1oc1A1 ASN 319 HB2 -0.12 0.10 0.06 -0.04 2.88 2.88 1oc1A1 ASN 319 HB3 -0.07 -0.04 0.04 -0.04 2.79 2.67 1oc1A1 ASN 319 HD21 -0.03 -0.09 -0.01 -0.04 7.03 6.86 1oc1A1 ASN 319 HD22 -0.05 -0.02 -0.06 -0.04 7.74 7.57 1oc1A1 GLY 320 H -0.29 0.35 -0.46 -0.55 8.43 7.48 1oc1A1 GLY 320 HA2 -0.22 0.01 0.27 -0.51 4.01 3.56 1oc1A1 GLY 320 HA3 -0.43 0.08 0.30 -0.51 4.01 3.44 1oc1A1 LEU 321 H -0.17 0.57 -0.01 -0.55 8.37 8.21 1oc1A1 LEU 321 HA -0.12 0.03 0.45 -0.75 4.35 3.95 1oc1A1 LEU 321 HB2 -0.08 0.06 0.15 -0.04 1.64 1.73 1oc1A1 LEU 321 HB3 -0.06 -0.02 0.00 -0.04 1.64 1.52 1oc1A1 LEU 321 HG -0.14 0.17 0.12 -0.04 1.64 1.76 1oc1A1 LEU 321 HD13 -0.05 -0.01 -0.03 -0.04 0.93 0.80 1oc1A1 LEU 321 HD23 -0.16 -0.01 -0.01 -0.04 0.89 0.66 1oc1A1 VAL 322 H -0.08 0.43 -0.08 -0.55 8.24 7.97 1oc1A1 VAL 322 HA -0.05 0.05 0.56 -0.75 4.13 3.94 1oc1A1 VAL 322 HB -0.05 0.07 0.08 -0.04 2.12 2.18 1oc1A1 VAL 322 HG13 -0.04 -0.02 -0.01 -0.04 0.97 0.87 1oc1A1 VAL 322 HG23 -0.04 0.04 0.06 -0.04 0.95 0.98 1oc1A1 SER 323 H -0.09 0.42 -0.30 -0.55 8.46 7.95 1oc1A1 SER 323 HA -0.06 -0.01 0.39 -0.75 4.49 4.05 1oc1A1 SER 323 HB2 -0.09 0.13 0.16 -0.04 3.95 4.11 1oc1A1 SER 323 HB3 -0.07 -0.07 -0.05 -0.04 3.93 3.71 1oc1A1 LEU 324 H -0.08 0.48 -0.09 -0.55 8.37 8.13 1oc1A1 LEU 324 HA -0.09 0.02 0.52 -0.75 4.35 4.04 1oc1A1 LEU 324 HB2 -0.08 0.06 0.13 -0.04 1.64 1.71 1oc1A1 LEU 324 HB3 -0.06 0.05 0.06 -0.04 1.64 1.64 1oc1A1 LEU 324 HG -0.06 -0.03 0.09 -0.04 1.64 1.61 1oc1A1 LEU 324 HD13 0.01 -0.03 0.01 -0.04 0.93 0.88 1oc1A1 LEU 324 HD23 0.03 0.01 -0.10 -0.04 0.89 0.79 1oc1A1 ILE 325 H -0.05 0.35 -0.25 -0.55 8.25 7.75 1oc1A1 ILE 325 HA -0.01 0.22 0.36 -0.75 4.18 3.99 1oc1A1 ILE 325 HB -0.03 0.12 0.10 -0.04 1.89 2.04 1oc1A1 ILE 325 HG12 0.03 -0.09 -0.01 -0.04 1.49 1.37 1oc1A1 ILE 325 HG13 0.01 -0.01 -0.04 -0.04 1.21 1.12 1oc1A1 ILE 325 HG23 -0.03 -0.03 -0.19 -0.04 0.93 0.64 1oc1A1 ILE 325 HD13 -0.00 0.03 -0.04 -0.04 0.88 0.82 1oc1A1 ASN 326 H -0.06 0.29 -0.23 -0.55 8.53 7.98 1oc1A1 ASN 326 HA -0.06 0.05 0.45 -0.75 4.76 4.45 1oc1A1 ASN 326 HB2 -0.06 0.05 0.08 -0.04 2.88 2.92 1oc1A1 ASN 326 HB3 -0.05 -0.04 0.03 -0.04 2.79 2.68 1oc1A1 ASN 326 HD21 -0.04 -0.06 -0.05 -0.04 7.03 6.84 1oc1A1 ASN 326 HD22 -0.04 -0.04 -0.03 -0.04 7.74 7.58 1oc1A1 LYS 327 H -0.11 0.38 -0.07 -0.55 8.42 8.06 1oc1A1 LYS 327 HA -0.15 0.01 0.53 -0.75 4.32 3.97 1oc1A1 LYS 327 HB2 -0.17 0.15 0.18 -0.04 1.87 1.99 1oc1A1 LYS 327 HB3 -0.28 0.06 0.07 -0.04 1.79 1.61 1oc1A1 LYS 327 HG2 -0.18 -0.05 0.04 -0.04 1.46 1.22 1oc1A1 LYS 327 HG3 -0.37 -0.03 0.01 -0.04 1.46 1.03 1oc1A1 LYS 327 HD2 -0.76 0.05 -0.05 -0.04 1.69 0.88 1oc1A1 LYS 327 HD3 -0.33 0.04 -0.03 -0.04 1.68 1.33 1oc1A1 LYS 327 HE2 -0.10 -0.01 0.02 -0.04 2.99 2.86 1oc1A1 LYS 327 HE3 -0.14 -0.04 -0.01 -0.04 2.99 2.76 1oc1A1 ASN 328 H -0.18 0.39 -0.15 -0.55 8.53 8.05 1oc1A1 ASN 328 HA -0.32 0.09 0.60 -0.75 4.76 4.37 1oc1A1 ASN 328 HB2 -0.33 0.17 0.09 -0.04 2.88 2.77 1oc1A1 ASN 328 HB3 -0.97 -0.04 0.13 -0.04 2.79 1.88 1oc1A1 ASN 328 HD21 -0.45 0.28 -0.48 -0.04 7.03 6.34 1oc1A1 ASN 328 HD22 -1.32 -0.05 -0.09 -0.04 7.74 6.23 1oc1A1 GLY 329 H -0.10 0.15 -0.33 -0.55 8.43 7.60 1oc1A1 GLY 329 HA2 -0.04 -0.04 0.36 -0.51 4.01 3.78 1oc1A1 GLY 329 HA3 -0.03 0.09 0.45 -0.51 4.01 4.01 1oc1A1 GLN 330 H 0.00 0.06 0.11 -0.55 8.47 8.10 1oc1A1 GLN 330 HA 0.06 -0.01 0.57 -0.75 4.36 4.23 1oc1A1 GLN 330 HB2 -0.04 -0.00 0.12 -0.04 2.15 2.18 1oc1A1 GLN 330 HB3 -0.01 0.02 0.11 -0.04 2.02 2.10 1oc1A1 GLN 330 HG2 -0.21 0.00 -0.02 -0.04 2.40 2.13 1oc1A1 GLN 330 HG3 -0.09 0.00 -0.14 -0.04 2.39 2.13 1oc1A1 GLN 330 HE21 0.16 0.05 0.00 -0.04 6.97 7.15 1oc1A1 GLN 330 HE22 0.23 -0.04 -0.08 -0.04 7.69 7.76 1oc1A1 THR 331 H 0.19 0.10 0.03 -0.55 8.28 8.05 1oc1A1 THR 331 HA 0.17 0.23 0.37 -0.75 4.39 4.40 1oc1A1 THR 331 HB -0.01 -0.00 -0.05 -0.04 4.32 4.21 1oc1A1 THR 331 HG23 0.18 0.03 -0.07 -0.04 1.22 1.32