============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. TYR 29 0.840 60.844 71.630 61.665 -99.200 -91.000 TYR 62 0.840 54.415 93.622 84.743 -99.200 -91.000 TYR 73 0.840 42.943 91.890 79.662 -99.200 -91.000 TYR 76 0.840 56.437 92.926 76.959 -99.200 -91.000 TRP 86 1.040 54.469 103.767 76.872 -99.200 -91.000 TRP6 86 1.020 52.785 105.103 75.862 -99.200 -91.000 PHE 99 1.000 49.392 90.474 64.047 -99.200 -91.000 TRP 103 1.040 33.862 90.463 64.191 -99.200 -91.000 TRP6 103 1.020 34.135 92.717 63.533 -99.200 -91.000 TYR 106 0.840 42.554 91.026 63.473 -99.200 -91.000 PHE 110 1.000 45.336 87.881 65.759 -99.200 -91.000 TYR 122 0.840 61.995 87.814 84.074 -99.200 -91.000 TYR 129 0.840 50.251 91.023 72.601 -99.200 -91.000 TRP 130 1.040 43.967 92.795 67.483 -99.200 -91.000 TRP6 130 1.020 44.723 94.884 66.679 -99.200 -91.000 TRP 154 1.040 62.652 94.755 57.032 -99.200 -91.000 TRP6 154 1.020 62.836 92.507 57.727 -99.200 -91.000 HIS 162 0.900 52.997 109.751 72.043 -99.200 -91.000 TYR 163 0.840 47.738 109.072 65.810 -99.200 -91.000 PHE 166 1.000 43.399 103.586 70.125 -99.200 -91.000 TYR 175 0.840 35.333 95.493 68.044 -99.200 -91.000 TYR 182 0.840 51.215 112.872 63.745 -99.200 -91.000 HIS 207 0.900 43.809 103.714 57.923 -99.200 -91.000 PHE 211 1.000 31.558 102.157 61.137 -99.200 -91.000 PHE 212 1.000 39.732 95.520 63.452 -99.200 -91.000 TYR 215 0.840 39.521 85.838 56.136 -99.200 -91.000 TRP 222 1.040 36.367 99.679 47.241 -99.200 -91.000 TRP6 222 1.020 37.952 97.983 46.811 -99.200 -91.000 TRP 239 1.040 44.435 99.317 59.839 -99.200 -91.000 TRP6 239 1.020 45.451 99.515 61.962 -99.200 -91.000 TRP 240 1.040 39.804 100.484 63.760 -99.200 -91.000 TRP6 240 1.020 41.767 99.977 64.971 -99.200 -91.000 TYR 241 0.840 42.169 97.107 55.957 -99.200 -91.000 HIS 245 0.900 47.127 100.302 53.361 -99.200 -91.000 TYR 253 0.840 57.910 90.635 59.912 -99.200 -91.000 TYR 254 0.840 54.641 91.143 51.467 -99.200 -91.000 TRP 255 1.040 63.591 88.299 56.166 -99.200 -91.000 TRP6 255 1.020 63.232 87.954 58.476 -99.200 -91.000 TYR 259 0.840 54.974 94.994 50.082 -99.200 -91.000 TRP 261 1.040 53.293 94.451 40.337 -99.200 -91.000 TRP6 261 1.020 52.222 92.804 39.006 -99.200 -91.000 HIS 266 0.900 44.092 88.680 47.669 -99.200 -91.000 TRP 274 1.040 52.980 105.392 59.301 -99.200 -91.000 TRP6 274 1.020 51.414 104.926 61.029 -99.200 -91.000 TRP 277 1.040 59.730 106.650 58.109 -99.200 -91.000 TRP6 277 1.020 60.599 104.627 58.977 -99.200 -91.000 TRP 281 1.040 54.240 99.247 46.070 -99.200 -91.000 TRP6 281 1.020 52.849 97.331 46.035 -99.200 -91.000 TYR 282 0.840 60.911 99.144 53.971 -99.200 -91.000 PHE 294 1.000 46.599 113.481 77.179 -99.200 -91.000 PHE 295 1.000 48.899 116.550 81.978 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2q9iE1 ASN 164 HA -0.00 -0.00 0.21 -0.75 4.76 4.21 2q9iE1 ASN 164 HB2 -0.00 0.04 0.05 -0.04 2.88 2.93 2q9iE1 ASN 164 HB3 -0.00 -0.07 0.10 -0.04 2.79 2.77 2q9iE1 ASN 164 HD21 -0.00 0.01 -0.03 -0.04 7.03 6.97 2q9iE1 ASN 164 HD22 -0.00 0.03 0.00 -0.04 7.74 7.73 2q9iE1 LEU 165 H -0.00 0.20 0.07 -0.55 8.37 8.09 2q9iE1 LEU 165 HA -0.00 0.01 0.68 -0.75 4.35 4.28 2q9iE1 LEU 165 HB2 -0.00 0.07 0.20 -0.04 1.64 1.87 2q9iE1 LEU 165 HB3 -0.00 -0.02 0.20 -0.04 1.64 1.79 2q9iE1 LEU 165 HG -0.00 -0.11 0.06 -0.04 1.64 1.54 2q9iE1 LEU 165 HD13 -0.00 0.02 -0.03 -0.04 0.93 0.88 2q9iE1 LEU 165 HD23 -0.00 0.01 0.02 -0.04 0.89 0.88 2q9iE1 ARG 166 H -0.00 0.47 0.35 -0.55 8.46 8.72 2q9iE1 ARG 166 HA -0.00 0.16 0.73 -0.75 4.34 4.48 2q9iE1 ARG 166 HB2 -0.00 0.11 -0.07 -0.04 1.90 1.90 2q9iE1 ARG 166 HB3 -0.00 0.06 0.04 -0.04 1.80 1.86 2q9iE1 ARG 166 HG2 -0.00 0.05 0.01 -0.04 1.67 1.68 2q9iE1 ARG 166 HG3 -0.00 -0.15 0.13 -0.04 1.67 1.61 2q9iE1 ARG 166 HD2 -0.00 0.06 -0.03 -0.04 3.22 3.21 2q9iE1 ARG 166 HD3 -0.00 0.02 0.00 -0.04 3.22 3.20 2q9iE1 VAL 167 H -0.00 0.14 0.07 -0.55 8.24 7.89 2q9iE1 VAL 167 HA -0.01 0.15 0.50 -0.75 4.13 4.02 2q9iE1 VAL 167 HB -0.01 0.05 0.09 -0.04 2.12 2.21 2q9iE1 VAL 167 HG13 -0.00 0.03 0.07 -0.04 0.97 1.02 2q9iE1 VAL 167 HG23 -0.00 0.01 -0.07 -0.04 0.95 0.84 2q9iE1 LEU 168 H -0.00 0.14 -0.44 -0.55 8.37 7.52 2q9iE1 LEU 168 HA -0.01 0.14 0.60 -0.75 4.35 4.33 2q9iE1 LEU 168 HB2 -0.00 0.08 0.01 -0.04 1.64 1.68 2q9iE1 LEU 168 HB3 -0.00 0.07 -0.00 -0.04 1.64 1.66 2q9iE1 LEU 168 HG -0.00 0.02 0.01 -0.04 1.64 1.63 2q9iE1 LEU 168 HD13 -0.00 -0.02 -0.10 -0.04 0.93 0.77 2q9iE1 LEU 168 HD23 -0.00 0.03 0.00 -0.04 0.89 0.88 2q9iE1 ARG 169 H -0.00 0.22 -0.33 -0.55 8.46 7.79 2q9iE1 ARG 169 HA -0.00 0.18 0.70 -0.75 4.34 4.46 2q9iE1 ARG 169 HB2 -0.00 -0.03 0.08 -0.04 1.90 1.90 2q9iE1 ARG 169 HB3 -0.00 0.09 0.01 -0.04 1.80 1.86 2q9iE1 ARG 169 HG2 -0.00 0.00 0.11 -0.04 1.67 1.74 2q9iE1 ARG 169 HG3 -0.00 0.01 0.03 -0.04 1.67 1.66 2q9iE1 ARG 169 HD2 -0.00 0.01 0.01 -0.04 3.22 3.20 2q9iE1 ARG 169 HD3 -0.00 0.00 0.00 -0.04 3.22 3.18 2q9iE1 SER 170 H -0.01 0.09 -0.29 -0.55 8.46 7.71 2q9iE1 SER 170 HA -0.01 0.19 0.76 -0.75 4.49 4.69 2q9iE1 SER 170 HB2 -0.01 -0.00 0.07 -0.04 3.95 3.97 2q9iE1 SER 170 HB3 -0.01 0.05 0.05 -0.04 3.93 3.98 2q9iE1 ILE 171 H -0.01 0.23 -0.18 -0.55 8.25 7.74 2q9iE1 ILE 171 HA -0.01 0.09 0.56 -0.75 4.18 4.07 2q9iE1 ILE 171 HB -0.01 0.15 0.20 -0.04 1.89 2.18 2q9iE1 ILE 171 HG12 -0.01 -0.06 -0.15 -0.04 1.49 1.23 2q9iE1 ILE 171 HG13 -0.01 -0.02 0.07 -0.04 1.21 1.21 2q9iE1 ILE 171 HG23 -0.01 -0.03 0.11 -0.04 0.93 0.96 2q9iE1 ILE 171 HD13 -0.01 0.01 -0.01 -0.04 0.88 0.83 2q9iE1 LEU 172 H -0.01 0.28 -0.25 -0.55 8.37 7.85 2q9iE1 LEU 172 HA -0.01 0.03 0.24 -0.75 4.35 3.86 2q9iE1 LEU 172 HB2 -0.01 0.04 0.01 -0.04 1.64 1.64 2q9iE1 LEU 172 HB3 -0.01 0.03 -0.05 -0.04 1.64 1.57 2q9iE1 LEU 172 HG -0.00 0.03 0.08 -0.04 1.64 1.70 2q9iE1 LEU 172 HD13 -0.01 0.00 0.04 -0.04 0.93 0.93 2q9iE1 LEU 172 HD23 -0.01 0.05 0.07 -0.04 0.89 0.96 2q9iE1 GLU 173 H -0.01 0.11 -1.20 -0.55 8.60 6.96 2q9iE1 GLU 173 HA -0.01 0.08 0.32 -0.75 4.29 3.93 2q9iE1 GLU 173 HB2 -0.01 0.05 0.08 -0.04 2.09 2.18 2q9iE1 GLU 173 HB3 -0.01 -0.04 0.02 -0.04 1.99 1.93 2q9iE1 GLU 173 HG2 -0.01 -0.13 -0.10 -0.04 2.34 2.07 2q9iE1 GLU 173 HG3 -0.01 -0.02 0.11 -0.04 2.34 2.39 2q9iE1 ASN 174 H -0.01 0.39 -0.04 -0.55 8.53 8.33 2q9iE1 ASN 174 HA -0.01 -0.02 0.47 -0.75 4.76 4.45 2q9iE1 ASN 174 HB2 -0.01 0.12 0.16 -0.04 2.88 3.10 2q9iE1 ASN 174 HB3 -0.02 -0.04 0.07 -0.04 2.79 2.77 2q9iE1 ASN 174 HD21 -0.01 0.02 0.04 -0.04 7.03 7.04 2q9iE1 ASN 174 HD22 -0.01 -0.02 0.04 -0.04 7.74 7.71 2q9iE1 LEU 175 H -0.01 0.45 -0.16 -0.55 8.37 8.10 2q9iE1 LEU 175 HA -0.01 0.04 0.51 -0.75 4.35 4.13 2q9iE1 LEU 175 HB2 -0.01 0.00 0.08 -0.04 1.64 1.67 2q9iE1 LEU 175 HB3 -0.01 0.02 0.17 -0.04 1.64 1.78 2q9iE1 LEU 175 HG -0.01 0.02 -0.05 -0.04 1.64 1.55 2q9iE1 LEU 175 HD13 -0.01 -0.00 -0.03 -0.04 0.93 0.85 2q9iE1 LEU 175 HD23 -0.02 0.00 -0.04 -0.04 0.89 0.79 2q9iE1 ARG 176 H -0.01 0.24 -1.07 -0.55 8.46 7.06 2q9iE1 ARG 176 HA -0.01 0.01 0.47 -0.75 4.34 4.06 2q9iE1 ARG 176 HB2 -0.01 0.30 -0.18 -0.04 1.90 1.97 2q9iE1 ARG 176 HB3 -0.01 0.12 0.10 -0.04 1.80 1.97 2q9iE1 ARG 176 HG2 -0.01 -0.08 -0.02 -0.04 1.67 1.52 2q9iE1 ARG 176 HG3 -0.01 -0.02 0.10 -0.04 1.67 1.71 2q9iE1 ARG 176 HD2 -0.01 -0.05 -0.01 -0.04 3.22 3.12 2q9iE1 ARG 176 HD3 -0.01 0.04 -0.03 -0.04 3.22 3.18 2q9iE1 SER 177 H -0.01 1.06 0.44 -0.55 8.46 9.40 2q9iE1 SER 177 HA -0.01 0.08 0.47 -0.75 4.49 4.28 2q9iE1 SER 177 HB2 -0.01 -0.00 0.05 -0.04 3.95 3.95 2q9iE1 SER 177 HB3 -0.01 0.08 0.07 -0.04 3.93 4.03 2q9iE1 LYS 178 H -0.01 0.53 0.15 -0.55 8.42 8.54 2q9iE1 LYS 178 HA -0.02 0.09 0.47 -0.75 4.32 4.11 2q9iE1 LYS 178 HB2 -0.02 0.11 0.21 -0.04 1.87 2.13 2q9iE1 LYS 178 HB3 -0.02 -0.03 0.01 -0.04 1.79 1.71 2q9iE1 LYS 178 HG2 -0.02 -0.01 0.05 -0.04 1.46 1.44 2q9iE1 LYS 178 HG3 -0.02 -0.03 0.16 -0.04 1.46 1.53 2q9iE1 LYS 178 HD2 -0.02 -0.02 -0.11 -0.04 1.69 1.50 2q9iE1 LYS 178 HD3 -0.02 -0.00 -0.02 -0.04 1.68 1.60 2q9iE1 LYS 178 HE2 -0.02 0.01 -0.02 -0.04 2.99 2.92 2q9iE1 LYS 178 HE3 -0.02 0.01 -0.00 -0.04 2.99 2.94 2q9iE1 ILE 179 H -0.01 0.15 -0.24 -0.55 8.25 7.60 2q9iE1 ILE 179 HA -0.02 0.03 0.47 -0.75 4.18 3.91 2q9iE1 ILE 179 HB -0.01 0.17 0.06 -0.04 1.89 2.07 2q9iE1 ILE 179 HG12 -0.02 -0.02 0.00 -0.04 1.49 1.42 2q9iE1 ILE 179 HG13 -0.01 -0.07 -0.11 -0.04 1.21 0.97 2q9iE1 ILE 179 HG23 -0.01 -0.00 -0.03 -0.04 0.93 0.85 2q9iE1 ILE 179 HD13 -0.01 0.03 -0.03 -0.04 0.88 0.83 2q9iE1 GLN 180 H -0.01 0.54 -0.34 -0.55 8.47 8.10 2q9iE1 GLN 180 HA -0.01 0.01 0.40 -0.75 4.36 4.00 2q9iE1 GLN 180 HB2 -0.01 0.10 0.14 -0.04 2.15 2.34 2q9iE1 GLN 180 HB3 -0.01 -0.05 0.19 -0.04 2.02 2.11 2q9iE1 GLN 180 HG2 -0.01 0.46 0.12 -0.04 2.40 2.93 2q9iE1 GLN 180 HG3 -0.01 -0.06 0.03 -0.04 2.39 2.31 2q9iE1 GLN 180 HE21 -0.01 -0.02 -0.10 -0.04 6.97 6.80 2q9iE1 GLN 180 HE22 -0.01 0.11 0.03 -0.04 7.69 7.77 2q9iE1 LYS 181 H -0.02 0.07 -1.21 -0.55 8.42 6.70 2q9iE1 LYS 181 HA -0.02 0.13 0.78 -0.75 4.32 4.46 2q9iE1 LYS 181 HB2 -0.02 0.04 0.04 -0.04 1.87 1.89 2q9iE1 LYS 181 HB3 -0.02 0.13 0.24 -0.04 1.79 2.10 2q9iE1 LYS 181 HG2 -0.02 -0.01 -0.26 -0.04 1.46 1.12 2q9iE1 LYS 181 HG3 -0.02 -0.04 0.01 -0.04 1.46 1.37 2q9iE1 LYS 181 HD2 -0.02 -0.00 -0.00 -0.04 1.69 1.62 2q9iE1 LYS 181 HD3 -0.02 -0.03 0.03 -0.04 1.68 1.62 2q9iE1 LYS 181 HE2 -0.02 -0.02 -0.01 -0.04 2.99 2.91 2q9iE1 LYS 181 HE3 -0.02 -0.01 -0.02 -0.04 2.99 2.90 2q9iE1 LEU 182 H -0.02 0.54 0.24 -0.55 8.37 8.58 2q9iE1 LEU 182 HA -0.02 0.06 0.48 -0.75 4.35 4.10 2q9iE1 LEU 182 HB2 -0.02 0.03 0.33 -0.04 1.64 1.95 2q9iE1 LEU 182 HB3 -0.02 -0.01 0.08 -0.04 1.64 1.65 2q9iE1 LEU 182 HG -0.02 0.21 -0.01 -0.04 1.64 1.77 2q9iE1 LEU 182 HD13 -0.02 -0.01 -0.00 -0.04 0.93 0.86 2q9iE1 LEU 182 HD23 -0.02 -0.01 0.03 -0.04 0.89 0.84 2q9iE1 GLU 183 H -0.02 0.52 0.14 -0.55 8.60 8.70 2q9iE1 GLU 183 HA -0.02 0.01 0.41 -0.75 4.29 3.93 2q9iE1 GLU 183 HB2 -0.02 0.01 0.03 -0.04 2.09 2.07 2q9iE1 GLU 183 HB3 -0.02 0.01 0.12 -0.04 1.99 2.06 2q9iE1 GLU 183 HG2 -0.02 0.27 0.17 -0.04 2.34 2.73 2q9iE1 GLU 183 HG3 -0.02 0.02 -0.16 -0.04 2.34 2.15 2q9iE1 SER 184 H -0.02 0.10 -0.97 -0.55 8.46 7.03 2q9iE1 SER 184 HA -0.03 0.04 0.40 -0.75 4.49 4.15 2q9iE1 SER 184 HB2 -0.02 0.07 0.01 -0.04 3.95 3.96 2q9iE1 SER 184 HB3 -0.02 0.36 0.15 -0.04 3.93 4.37 2q9iE1 ASP 185 H -0.03 0.50 0.02 -0.55 8.40 8.35 2q9iE1 ASP 185 HA -0.04 0.02 0.55 -0.75 4.63 4.41 2q9iE1 ASP 185 HB2 -0.03 0.12 0.31 -0.04 2.71 3.08 2q9iE1 ASP 185 HB3 -0.02 -0.06 0.05 -0.04 2.70 2.62 2q9iE1 VAL 186 H -0.03 0.82 0.15 -0.55 8.24 8.63 2q9iE1 VAL 186 HA -0.03 0.02 0.41 -0.75 4.13 3.78 2q9iE1 VAL 186 HB -0.03 -0.04 0.14 -0.04 2.12 2.14 2q9iE1 VAL 186 HG13 -0.03 0.01 -0.14 -0.04 0.97 0.77 2q9iE1 VAL 186 HG23 -0.02 0.01 -0.02 -0.04 0.95 0.88 2q9iE1 SER 187 H -0.05 0.77 -0.10 -0.55 8.46 8.54 2q9iE1 SER 187 HA -0.06 -0.01 0.34 -0.75 4.49 4.02 2q9iE1 SER 187 HB2 -0.04 -0.02 0.13 -0.04 3.95 3.97 2q9iE1 SER 187 HB3 -0.05 0.10 0.12 -0.04 3.93 4.05 2q9iE1 ALA 188 H -0.09 0.31 -0.56 -0.55 8.40 7.51 2q9iE1 ALA 188 HA -0.24 0.01 0.45 -0.75 4.34 3.80 2q9iE1 ALA 188 HB3 -0.15 0.07 0.20 -0.04 1.41 1.49 2q9iE1 GLN 189 H -0.11 0.64 0.10 -0.55 8.47 8.56 2q9iE1 GLN 189 HA -0.03 -0.04 0.40 -0.75 4.36 3.94 2q9iE1 GLN 189 HB2 0.02 -0.00 0.15 -0.04 2.15 2.28 2q9iE1 GLN 189 HB3 -0.02 0.09 0.15 -0.04 2.02 2.19 2q9iE1 GLN 189 HG2 0.03 -0.02 -0.01 -0.04 2.40 2.36 2q9iE1 GLN 189 HG3 0.03 0.01 -0.21 -0.04 2.39 2.19 2q9iE1 GLN 189 HE21 0.13 -0.00 0.01 -0.04 6.97 7.07 2q9iE1 GLN 189 HE22 0.08 0.01 -0.01 -0.04 7.69 7.73 2q9iE1 MET 190 H -0.08 0.61 -0.31 -0.55 8.47 8.13 2q9iE1 MET 190 HA -0.03 -0.03 0.33 -0.75 4.52 4.04 2q9iE1 MET 190 HB2 -0.05 0.08 0.07 -0.04 2.15 2.21 2q9iE1 MET 190 HB3 -0.06 0.19 0.05 -0.04 2.03 2.17 2q9iE1 MET 190 HG2 -0.03 -0.05 -0.03 -0.04 2.63 2.48 2q9iE1 MET 190 HG3 -0.03 0.02 0.00 -0.04 2.56 2.52 2q9iE1 MET 190 HE3 -0.02 -0.02 -0.03 -0.04 2.10 1.99 2q9iE1 GLU 191 H -0.19 0.50 -0.42 -0.55 8.60 7.93 2q9iE1 GLU 191 HA -0.07 -0.01 0.45 -0.75 4.29 3.91 2q9iE1 GLU 191 HB2 -0.16 0.01 0.19 -0.04 2.09 2.08 2q9iE1 GLU 191 HB3 -0.41 0.21 0.30 -0.04 1.99 2.04 2q9iE1 GLU 191 HG2 -0.12 -0.07 0.01 -0.04 2.34 2.13 2q9iE1 GLU 191 HG3 -0.06 -0.02 -0.18 -0.04 2.34 2.03 2q9iE1 TYR 192 H -0.42 0.32 0.05 -0.55 8.29 7.68 2q9iE1 TYR 192 HA -0.01 -0.03 0.38 -0.75 4.56 4.15 2q9iE1 TYR 192 HB2 -0.01 0.12 0.14 -0.04 3.06 3.27 2q9iE1 TYR 192 HB3 -0.01 -0.04 0.08 -0.04 2.98 2.97 2q9iE1 TYR 192 HD2 -0.01 -0.01 0.04 -0.04 7.15 7.13 2q9iE1 TYR 192 HE2 -0.02 -0.03 -0.02 -0.04 6.85 6.74 2q9iE1 CYS 193 H 0.06 0.44 -0.47 -0.55 8.50 7.99 2q9iE1 CYS 193 HA 0.06 0.07 0.43 -0.75 4.58 4.39 2q9iE1 CYS 193 HB2 0.02 0.12 0.11 -0.04 2.97 3.17 2q9iE1 CYS 193 HB3 0.02 -0.08 0.17 -0.04 2.97 3.04 2q9iE1 ARG 194 H 0.05 0.36 -0.64 -0.55 8.46 7.68 2q9iE1 ARG 194 HA 0.01 0.09 0.80 -0.75 4.34 4.49 2q9iE1 ARG 194 HB2 0.03 0.09 0.10 -0.04 1.90 2.08 2q9iE1 ARG 194 HB3 0.02 -0.13 0.07 -0.04 1.80 1.72 2q9iE1 ARG 194 HG2 0.00 -0.08 0.04 -0.04 1.67 1.59 2q9iE1 ARG 194 HG3 -0.00 0.26 0.02 -0.04 1.67 1.91 2q9iE1 ARG 194 HD2 -0.01 -0.00 0.06 -0.04 3.22 3.23 2q9iE1 ARG 194 HD3 0.00 -0.08 0.03 -0.04 3.22 3.13 2q9iE1 THR 195 H 0.04 0.41 0.21 -0.55 8.28 8.39 2q9iE1 THR 195 HA 0.02 0.15 0.86 -0.75 4.39 4.66 2q9iE1 THR 195 HB 0.02 0.02 0.05 -0.04 4.32 4.37 2q9iE1 THR 195 HG23 0.02 -0.02 -0.14 -0.04 1.22 1.04 2q9iE1 PRO 196 HA 0.02 0.02 0.53 -0.51 4.44 4.50 2q9iE1 PRO 196 HB2 0.01 0.12 0.05 -0.04 2.28 2.42 2q9iE1 PRO 196 HB3 0.01 -0.01 0.07 -0.04 2.02 2.05 2q9iE1 PRO 196 HG2 0.01 0.03 -0.01 -0.04 2.03 2.02 2q9iE1 PRO 196 HG3 0.01 -0.00 0.05 -0.04 2.03 2.05 2q9iE1 PRO 196 HD2 0.01 0.06 0.21 -0.04 3.68 3.91 2q9iE1 PRO 196 HD3 0.01 0.18 0.10 -0.04 3.65 3.90 2q9iE1 CYS 197 H 0.01 0.04 0.18 -0.55 8.50 8.18 2q9iE1 CYS 197 HA -0.01 0.08 0.50 -0.75 4.58 4.40 2q9iE1 CYS 197 HB2 -0.01 0.01 0.08 -0.04 2.97 3.01 2q9iE1 CYS 197 HB3 -0.01 0.02 0.13 -0.04 2.97 3.08 2q9iE1 THR 198 H -0.01 0.21 0.22 -0.55 8.28 8.16 2q9iE1 THR 198 HA -0.00 0.16 0.85 -0.75 4.39 4.65 2q9iE1 THR 198 HB -0.00 0.04 0.08 -0.04 4.32 4.40 2q9iE1 THR 198 HG23 0.00 0.05 -0.23 -0.04 1.22 1.01 2q9iE1 VAL 199 H -0.01 0.25 0.20 -0.55 8.24 8.13 2q9iE1 VAL 199 HA -0.01 0.17 0.77 -0.75 4.13 4.29 2q9iE1 VAL 199 HB -0.01 -0.12 0.08 -0.04 2.12 2.03 2q9iE1 VAL 199 HG13 -0.01 0.03 -0.14 -0.04 0.97 0.82 2q9iE1 VAL 199 HG23 -0.01 0.01 -0.08 -0.04 0.95 0.83 2q9iE1 SER 200 H -0.02 0.14 -0.07 -0.55 8.46 7.97 2q9iE1 SER 200 HA -0.01 0.12 0.60 -0.75 4.49 4.45 2q9iE1 SER 200 HB2 -0.01 0.04 0.12 -0.04 3.95 4.06 2q9iE1 SER 200 HB3 -0.01 0.01 0.08 -0.04 3.93 3.98 2q9iE1 CYS 201 H -0.01 0.17 -0.07 -0.55 8.50 8.05 2q9iE1 CYS 201 HA -0.00 0.10 0.77 -0.75 4.58 4.70 2q9iE1 CYS 201 HB2 -0.01 0.02 0.10 -0.04 2.97 3.04 2q9iE1 CYS 201 HB3 -0.01 0.07 -0.02 -0.04 2.97 2.96 2q9iE1 ASN 202 H 0.02 0.44 0.24 -0.55 8.53 8.68 2q9iE1 ASN 202 HA -0.00 0.00 0.40 -0.75 4.76 4.41 2q9iE1 ASN 202 HB2 0.03 -0.04 0.00 -0.04 2.88 2.83 2q9iE1 ASN 202 HB3 0.00 0.01 -0.06 -0.04 2.79 2.71 2q9iE1 ASN 202 HD21 0.00 -0.01 -0.03 -0.04 7.03 6.96 2q9iE1 ASN 202 HD22 0.00 -0.01 -0.02 -0.04 7.74 7.67 2q9iE1 ILE 203 H -0.01 0.07 0.12 -0.55 8.25 7.88 2q9iE1 ILE 203 HA -0.05 0.18 0.48 -0.75 4.18 4.03 2q9iE1 ILE 203 HB -0.02 -0.05 0.06 -0.04 1.89 1.84 2q9iE1 ILE 203 HG12 -0.02 0.06 -0.08 -0.04 1.49 1.41 2q9iE1 ILE 203 HG13 -0.01 -0.07 0.10 -0.04 1.21 1.19 2q9iE1 ILE 203 HG23 -0.02 0.06 -0.14 -0.04 0.93 0.79 2q9iE1 ILE 203 HD13 -0.01 -0.01 -0.03 -0.04 0.88 0.79 2q9iE1 PRO 204 HA -0.09 -0.06 0.41 -0.51 4.44 4.19 2q9iE1 PRO 204 HB2 -0.07 0.10 0.03 -0.04 2.28 2.30 2q9iE1 PRO 204 HB3 -0.16 -0.07 0.06 -0.04 2.02 1.81 2q9iE1 PRO 204 HG2 -0.68 0.28 0.15 -0.04 2.03 1.73 2q9iE1 PRO 204 HG3 -0.28 -0.06 0.06 -0.04 2.03 1.71 2q9iE1 PRO 204 HD2 -0.15 0.00 0.18 -0.04 3.68 3.67 2q9iE1 PRO 204 HD3 -0.13 0.24 0.27 -0.04 3.65 3.99 2q9iE1 VAL 205 H -0.03 0.03 0.14 -0.55 8.24 7.84 2q9iE1 VAL 205 HA -0.01 0.11 0.30 -0.75 4.13 3.77 2q9iE1 VAL 205 HB -0.01 -0.07 0.14 -0.04 2.12 2.13 2q9iE1 VAL 205 HG13 -0.01 0.00 -0.11 -0.04 0.97 0.81 2q9iE1 VAL 205 HG23 -0.02 -0.00 0.06 -0.04 0.95 0.95 2q9iE1 VAL 206 H 0.02 -0.03 -0.08 -0.55 8.24 7.60 2q9iE1 VAL 206 HA 0.00 0.03 0.43 -0.75 4.13 3.84 2q9iE1 VAL 206 HB 0.00 0.01 0.07 -0.04 2.12 2.15 2q9iE1 VAL 206 HG13 0.11 -0.04 -0.06 -0.04 0.97 0.93 2q9iE1 VAL 206 HG23 -0.04 0.01 -0.11 -0.04 0.95 0.77 2q9iE1 SER 207 H -0.01 0.15 0.23 -0.55 8.46 8.28 2q9iE1 SER 207 HA 0.00 0.16 0.78 -0.75 4.49 4.68 2q9iE1 SER 207 HB2 0.00 0.10 -0.09 -0.04 3.95 3.92 2q9iE1 SER 207 HB3 -0.02 -0.06 0.03 -0.04 3.93 3.84 2q9iE1 GLY 208 H -0.06 0.31 0.18 -0.55 8.43 8.32 2q9iE1 GLY 208 HA2 -0.05 0.15 0.42 -0.51 4.01 4.03 2q9iE1 GLY 208 HA3 -0.08 -0.05 0.32 -0.51 4.01 3.69 2q9iE1 LYS 209 H -0.06 0.09 0.15 -0.55 8.42 8.05 2q9iE1 LYS 209 HA -0.05 0.28 0.42 -0.75 4.32 4.22 2q9iE1 LYS 209 HB2 -0.03 -0.04 -0.01 -0.04 1.87 1.75 2q9iE1 LYS 209 HB3 -0.02 0.20 0.13 -0.04 1.79 2.06 2q9iE1 LYS 209 HG2 -0.03 0.06 -0.12 -0.04 1.46 1.33 2q9iE1 LYS 209 HG3 -0.04 -0.09 0.06 -0.04 1.46 1.34 2q9iE1 LYS 209 HD2 -0.03 -0.03 0.01 -0.04 1.69 1.61 2q9iE1 LYS 209 HD3 -0.02 0.03 0.03 -0.04 1.68 1.67 2q9iE1 LYS 209 HE2 -0.02 -0.04 -0.01 -0.04 2.99 2.88 2q9iE1 LYS 209 HE3 -0.01 -0.02 0.03 -0.04 2.99 2.95 2q9iE1 GLU 210 H -0.08 0.11 0.12 -0.55 8.60 8.21 2q9iE1 GLU 210 HA -0.07 0.15 0.28 -0.75 4.29 3.89 2q9iE1 GLU 210 HB2 -0.03 -0.05 0.06 -0.04 2.09 2.04 2q9iE1 GLU 210 HB3 -0.01 0.22 0.12 -0.04 1.99 2.28 2q9iE1 GLU 210 HG2 -0.02 0.17 -0.12 -0.04 2.34 2.33 2q9iE1 GLU 210 HG3 -0.04 -0.14 -0.53 -0.04 2.34 1.60 2q9iE1 CYS 211 H -0.04 0.23 -0.01 -0.55 8.50 8.13 2q9iE1 CYS 211 HA -0.19 0.06 0.21 -0.75 4.58 3.91 2q9iE1 CYS 211 HB2 -0.02 0.13 -0.43 -0.04 2.97 2.60 2q9iE1 CYS 211 HB3 -0.08 -0.05 -0.37 -0.04 2.97 2.43 2q9iE1 GLU 212 H -0.11 0.19 -0.12 -0.55 8.60 8.01 2q9iE1 GLU 212 HA -0.18 0.06 0.48 -0.75 4.29 3.89 2q9iE1 GLU 212 HB2 -0.20 0.19 0.22 -0.04 2.09 2.26 2q9iE1 GLU 212 HB3 -0.12 -0.12 0.15 -0.04 1.99 1.87 2q9iE1 GLU 212 HG2 -0.12 0.06 -0.00 -0.04 2.34 2.23 2q9iE1 GLU 212 HG3 -0.11 -0.06 -0.27 -0.04 2.34 1.85 2q9iE1 GLU 213 H -0.10 0.07 -0.15 -0.55 8.60 7.87 2q9iE1 GLU 213 HA -0.09 0.09 0.32 -0.75 4.29 3.85 2q9iE1 GLU 213 HB2 -0.07 0.04 0.11 -0.04 2.09 2.13 2q9iE1 GLU 213 HB3 -0.09 -0.12 0.15 -0.04 1.99 1.90 2q9iE1 GLU 213 HG2 -0.08 0.09 -0.26 -0.04 2.34 2.05 2q9iE1 GLU 213 HG3 -0.07 0.05 0.01 -0.04 2.34 2.29 2q9iE1 ILE 214 H -0.15 0.30 -0.29 -0.55 8.25 7.56 2q9iE1 ILE 214 HA -0.14 0.07 0.24 -0.75 4.18 3.59 2q9iE1 ILE 214 HB -0.34 0.12 0.03 -0.04 1.89 1.66 2q9iE1 ILE 214 HG12 -0.14 0.05 -0.49 -0.04 1.49 0.86 2q9iE1 ILE 214 HG13 -0.16 -0.03 -0.22 -0.04 1.21 0.76 2q9iE1 ILE 214 HG23 -0.61 0.01 -0.27 -0.04 0.93 0.02 2q9iE1 ILE 214 HD13 -0.20 0.00 -0.27 -0.04 0.88 0.37 2q9iE1 ILE 215 H -0.19 0.59 -0.07 -0.55 8.25 8.03 2q9iE1 ILE 215 HA -0.14 0.14 0.35 -0.75 4.18 3.78 2q9iE1 ILE 215 HB -0.14 -0.12 0.09 -0.04 1.89 1.67 2q9iE1 ILE 215 HG12 -0.08 -0.04 -0.11 -0.04 1.49 1.22 2q9iE1 ILE 215 HG13 -0.07 0.16 0.01 -0.04 1.21 1.26 2q9iE1 ILE 215 HG23 -0.13 0.19 -0.04 -0.04 0.93 0.91 2q9iE1 ILE 215 HD13 -0.05 -0.00 -0.03 -0.04 0.88 0.76 2q9iE1 ARG 216 H -0.11 0.41 -0.38 -0.55 8.46 7.83 2q9iE1 ARG 216 HA -0.08 0.04 0.47 -0.75 4.34 4.02 2q9iE1 ARG 216 HB2 -0.09 0.16 0.15 -0.04 1.90 2.08 2q9iE1 ARG 216 HB3 -0.07 -0.08 0.12 -0.04 1.80 1.72 2q9iE1 ARG 216 HG2 -0.09 -0.03 -0.01 -0.04 1.67 1.51 2q9iE1 ARG 216 HG3 -0.11 0.12 -0.03 -0.04 1.67 1.61 2q9iE1 ARG 216 HD2 -0.08 -0.04 -0.00 -0.04 3.22 3.05 2q9iE1 ARG 216 HD3 -0.11 0.00 -0.05 -0.04 3.22 3.03 2q9iE1 LYS 217 H -0.09 0.51 -0.56 -0.55 8.42 7.72 2q9iE1 LYS 217 HA -0.05 0.15 0.87 -0.75 4.32 4.54 2q9iE1 LYS 217 HB2 -0.07 0.03 0.12 -0.04 1.87 1.91 2q9iE1 LYS 217 HB3 -0.05 -0.09 0.21 -0.04 1.79 1.82 2q9iE1 LYS 217 HG2 -0.05 -0.04 -0.03 -0.04 1.46 1.30 2q9iE1 LYS 217 HG3 -0.07 0.10 -0.23 -0.04 1.46 1.23 2q9iE1 LYS 217 HD2 -0.06 -0.11 -0.09 -0.04 1.69 1.39 2q9iE1 LYS 217 HD3 -0.07 0.04 -0.07 -0.04 1.68 1.53 2q9iE1 LYS 217 HE2 -0.04 -0.03 0.07 -0.04 2.99 2.95 2q9iE1 LYS 217 HE3 -0.04 -0.04 0.01 -0.04 2.99 2.88 2q9iE1 GLY 218 H -0.06 0.41 -0.35 -0.55 8.43 7.88 2q9iE1 GLY 218 HA2 -0.04 -0.00 0.28 -0.51 4.01 3.74 2q9iE1 GLY 218 HA3 -0.03 0.13 0.77 -0.51 4.01 4.36 2q9iE1 GLY 219 H -0.09 0.46 -0.23 -0.55 8.43 8.03 2q9iE1 GLY 219 HA2 0.03 -0.04 0.35 -0.51 4.01 3.84 2q9iE1 GLY 219 HA3 -0.17 0.01 0.14 -0.51 4.01 3.48 2q9iE1 GLU 220 H 0.00 0.30 0.39 -0.55 8.60 8.75 2q9iE1 GLU 220 HA -0.01 0.14 0.47 -0.75 4.29 4.13 2q9iE1 GLU 220 HB2 -0.00 -0.08 0.11 -0.04 2.09 2.08 2q9iE1 GLU 220 HB3 -0.00 -0.05 0.03 -0.04 1.99 1.93 2q9iE1 GLU 220 HG2 -0.02 -0.00 -0.01 -0.04 2.34 2.27 2q9iE1 GLU 220 HG3 -0.02 0.33 0.12 -0.04 2.34 2.73 2q9iE1 THR 221 H 0.05 0.03 -0.07 -0.55 8.28 7.75 2q9iE1 THR 221 HA 0.05 0.17 0.76 -0.75 4.39 4.62 2q9iE1 THR 221 HB 0.04 0.05 -0.03 -0.04 4.32 4.33 2q9iE1 THR 221 HG23 -0.02 -0.01 -0.05 -0.04 1.22 1.10 2q9iE1 SER 222 H 0.08 0.12 0.13 -0.55 8.46 8.25 2q9iE1 SER 222 HA 0.05 0.19 0.76 -0.75 4.49 4.73 2q9iE1 SER 222 HB2 0.16 0.04 0.25 -0.04 3.95 4.36 2q9iE1 SER 222 HB3 0.21 0.12 0.20 -0.04 3.93 4.42 2q9iE1 GLU 223 H -0.12 0.33 0.27 -0.55 8.60 8.53 2q9iE1 GLU 223 HA -0.34 0.13 0.44 -0.75 4.29 3.77 2q9iE1 GLU 223 HB2 -0.06 0.02 0.06 -0.04 2.09 2.07 2q9iE1 GLU 223 HB3 0.07 0.03 -0.13 -0.04 1.99 1.92 2q9iE1 GLU 223 HG2 -0.17 -0.08 -0.55 -0.04 2.34 1.50 2q9iE1 GLU 223 HG3 -0.85 0.09 -0.36 -0.04 2.34 1.17 2q9iE1 MET 224 H -0.15 0.36 0.19 -0.55 8.47 8.33 2q9iE1 MET 224 HA -0.10 0.13 0.81 -0.75 4.52 4.60 2q9iE1 MET 224 HB2 0.03 -0.03 -0.04 -0.04 2.15 2.06 2q9iE1 MET 224 HB3 -0.06 -0.05 0.10 -0.04 2.03 1.97 2q9iE1 MET 224 HG2 -0.03 0.26 0.08 -0.04 2.63 2.90 2q9iE1 MET 224 HG3 -0.02 -0.12 -0.13 -0.04 2.56 2.25 2q9iE1 MET 224 HE3 -0.02 -0.03 -0.08 -0.04 2.10 1.93 2q9iE1 TYR 225 H 0.06 0.55 0.41 -0.55 8.29 8.76 2q9iE1 TYR 225 HA -0.06 0.21 0.81 -0.75 4.56 4.76 2q9iE1 TYR 225 HB2 -0.08 -0.08 -0.11 -0.04 3.06 2.75 2q9iE1 TYR 225 HB3 -0.08 0.04 -0.01 -0.04 2.98 2.89 2q9iE1 TYR 225 HD2 -0.11 0.12 -0.03 -0.04 7.15 7.09 2q9iE1 TYR 225 HE2 -0.12 -0.08 -0.02 -0.04 6.85 6.59 2q9iE1 LEU 226 H 0.10 0.34 0.12 -0.55 8.37 8.38 2q9iE1 LEU 226 HA -0.05 0.26 0.83 -0.75 4.35 4.64 2q9iE1 LEU 226 HB2 -0.01 -0.03 -0.14 -0.04 1.64 1.42 2q9iE1 LEU 226 HB3 -0.01 0.03 0.06 -0.04 1.64 1.68 2q9iE1 LEU 226 HG -0.04 -0.00 -0.28 -0.04 1.64 1.28 2q9iE1 LEU 226 HD13 -0.02 0.12 -0.43 -0.04 0.93 0.56 2q9iE1 LEU 226 HD23 -0.01 -0.00 -0.12 -0.04 0.89 0.72 2q9iE1 ILE 227 H -0.25 0.66 0.23 -0.55 8.25 8.34 2q9iE1 ILE 227 HA -0.11 0.08 0.87 -0.75 4.18 4.27 2q9iE1 ILE 227 HB -0.16 -0.03 -0.59 -0.04 1.89 1.07 2q9iE1 ILE 227 HG12 -0.54 0.10 -0.08 -0.04 1.49 0.93 2q9iE1 ILE 227 HG13 -0.70 0.03 -0.35 -0.04 1.21 0.15 2q9iE1 ILE 227 HG23 -0.10 -0.05 -0.45 -0.04 0.93 0.29 2q9iE1 ILE 227 HD13 -0.17 0.01 -0.12 -0.04 0.88 0.57 2q9iE1 GLN 228 H -0.10 0.64 0.10 -0.55 8.47 8.57 2q9iE1 GLN 228 HA -0.05 0.13 0.67 -0.75 4.36 4.36 2q9iE1 GLN 228 HB2 -0.03 -0.02 -0.09 -0.04 2.15 1.97 2q9iE1 GLN 228 HB3 -0.03 -0.01 0.10 -0.04 2.02 2.04 2q9iE1 GLN 228 HG2 0.01 -0.16 -0.29 -0.04 2.40 1.92 2q9iE1 GLN 228 HG3 0.03 0.21 -0.09 -0.04 2.39 2.50 2q9iE1 GLN 228 HE21 0.02 -0.14 0.03 -0.04 6.97 6.83 2q9iE1 GLN 228 HE22 0.03 0.72 0.06 -0.04 7.69 8.46 2q9iE1 PRO 229 HA 0.00 0.08 0.54 -0.51 4.44 4.55 2q9iE1 PRO 229 HB2 0.10 -0.06 0.01 -0.04 2.28 2.29 2q9iE1 PRO 229 HB3 0.06 0.04 0.07 -0.04 2.02 2.15 2q9iE1 PRO 229 HG2 0.32 0.01 0.01 -0.04 2.03 2.32 2q9iE1 PRO 229 HG3 0.02 0.14 0.09 -0.04 2.03 2.24 2q9iE1 PRO 229 HD2 0.20 0.10 0.05 -0.04 3.68 3.98 2q9iE1 PRO 229 HD3 -0.24 0.11 -0.30 -0.04 3.65 3.18 2q9iE1 ASP 230 H 0.06 0.18 -0.31 -0.55 8.40 7.78 2q9iE1 ASP 230 HA 0.02 0.19 0.86 -0.75 4.63 4.94 2q9iE1 ASP 230 HB2 0.03 0.16 -0.15 -0.04 2.71 2.72 2q9iE1 ASP 230 HB3 0.05 -0.05 -0.01 -0.04 2.70 2.65 2q9iE1 SER 231 H 0.01 0.16 0.13 -0.55 8.46 8.22 2q9iE1 SER 231 HA 0.01 0.14 0.36 -0.75 4.49 4.25 2q9iE1 SER 231 HB2 0.01 -0.06 0.10 -0.04 3.95 3.96 2q9iE1 SER 231 HB3 0.01 0.03 0.02 -0.04 3.93 3.95 2q9iE1 SER 232 H 0.02 -0.03 -0.31 -0.55 8.46 7.60 2q9iE1 SER 232 HA 0.02 0.11 0.48 -0.75 4.49 4.35 2q9iE1 SER 232 HB2 0.02 0.00 0.04 -0.04 3.95 3.97 2q9iE1 SER 232 HB3 0.02 -0.04 0.04 -0.04 3.93 3.90 2q9iE1 VAL 233 H 0.04 0.09 -0.31 -0.55 8.24 7.51 2q9iE1 VAL 233 HA 0.05 0.00 0.50 -0.75 4.13 3.93 2q9iE1 VAL 233 HB 0.11 0.03 0.02 -0.04 2.12 2.23 2q9iE1 VAL 233 HG13 0.06 -0.04 -0.03 -0.04 0.97 0.92 2q9iE1 VAL 233 HG23 0.13 0.17 -0.17 -0.04 0.95 1.04 2q9iE1 LYS 234 H 0.06 0.04 0.15 -0.55 8.42 8.12 2q9iE1 LYS 234 HA 0.05 0.11 0.51 -0.75 4.32 4.24 2q9iE1 LYS 234 HB2 0.04 -0.03 0.13 -0.04 1.87 1.97 2q9iE1 LYS 234 HB3 0.06 -0.08 0.15 -0.04 1.79 1.89 2q9iE1 LYS 234 HG2 0.07 0.28 -0.21 -0.04 1.46 1.56 2q9iE1 LYS 234 HG3 0.04 -0.04 0.04 -0.04 1.46 1.46 2q9iE1 LYS 234 HD2 0.03 -0.06 0.03 -0.04 1.69 1.64 2q9iE1 LYS 234 HD3 0.05 -0.03 -0.01 -0.04 1.68 1.65 2q9iE1 LYS 234 HE2 0.03 -0.06 0.01 -0.04 2.99 2.93 2q9iE1 LYS 234 HE3 0.04 0.09 0.00 -0.04 2.99 3.09 2q9iE1 PRO 235 HA 0.01 0.14 0.52 -0.51 4.44 4.60 2q9iE1 PRO 235 HB2 0.01 -0.05 -0.02 -0.04 2.28 2.17 2q9iE1 PRO 235 HB3 -0.03 0.01 -0.15 -0.04 2.02 1.81 2q9iE1 PRO 235 HG2 0.01 -0.02 0.03 -0.04 2.03 2.01 2q9iE1 PRO 235 HG3 0.01 0.06 0.04 -0.04 2.03 2.11 2q9iE1 PRO 235 HD2 0.03 0.01 0.18 -0.04 3.68 3.87 2q9iE1 PRO 235 HD3 0.03 0.21 0.27 -0.04 3.65 4.13 2q9iE1 TYR 236 H -0.28 0.50 0.38 -0.55 8.29 8.34 2q9iE1 TYR 236 HA 0.00 0.16 0.97 -0.75 4.56 4.94 2q9iE1 TYR 236 HB2 -0.00 -0.02 0.16 -0.04 3.06 3.15 2q9iE1 TYR 236 HB3 0.00 0.07 -0.03 -0.04 2.98 2.99 2q9iE1 TYR 236 HD2 0.01 0.25 -0.07 -0.04 7.15 7.30 2q9iE1 TYR 236 HE2 0.01 -0.05 -0.07 -0.04 6.85 6.70 2q9iE1 ARG 237 H 0.14 0.12 0.18 -0.55 8.46 8.34 2q9iE1 ARG 237 HA -0.01 0.28 0.81 -0.75 4.34 4.67 2q9iE1 ARG 237 HB2 0.02 -0.04 0.10 -0.04 1.90 1.94 2q9iE1 ARG 237 HB3 -0.01 -0.01 0.01 -0.04 1.80 1.75 2q9iE1 ARG 237 HG2 -0.00 0.07 -0.06 -0.04 1.67 1.63 2q9iE1 ARG 237 HG3 0.02 -0.02 0.02 -0.04 1.67 1.65 2q9iE1 ARG 237 HD2 -0.00 -0.02 0.01 -0.04 3.22 3.17 2q9iE1 ARG 237 HD3 -0.02 -0.04 -0.04 -0.04 3.22 3.09 2q9iE1 VAL 238 H 0.02 0.60 0.38 -0.55 8.24 8.69 2q9iE1 VAL 238 HA 0.08 0.12 0.61 -0.75 4.13 4.19 2q9iE1 VAL 238 HB 0.12 0.10 -0.25 -0.04 2.12 2.05 2q9iE1 VAL 238 HG13 0.01 -0.02 -0.27 -0.04 0.97 0.65 2q9iE1 VAL 238 HG23 0.22 0.03 0.03 -0.04 0.95 1.18 2q9iE1 TYR 239 H 0.35 0.23 0.16 -0.55 8.29 8.48 2q9iE1 TYR 239 HA 0.11 0.19 0.88 -0.75 4.56 5.00 2q9iE1 TYR 239 HB2 0.09 0.19 0.01 -0.04 3.06 3.30 2q9iE1 TYR 239 HB3 0.25 -0.07 0.10 -0.04 2.98 3.22 2q9iE1 TYR 239 HD2 0.10 -0.05 -0.42 -0.04 7.15 6.74 2q9iE1 TYR 239 HE2 0.08 -0.07 -0.56 -0.04 6.85 6.25 2q9iE1 CYS 240 H -0.22 0.72 0.29 -0.55 8.50 8.74 2q9iE1 CYS 240 HA 0.15 0.26 1.08 -0.75 4.58 5.31 2q9iE1 CYS 240 HB2 0.12 0.08 0.13 -0.04 2.97 3.26 2q9iE1 CYS 240 HB3 -0.06 -0.04 -0.12 -0.04 2.97 2.71 2q9iE1 ASP 241 H 0.26 0.72 0.24 -0.55 8.40 9.07 2q9iE1 ASP 241 HA 0.27 0.14 0.85 -0.75 4.63 5.13 2q9iE1 ASP 241 HB2 0.27 0.07 0.00 -0.04 2.71 3.01 2q9iE1 ASP 241 HB3 0.33 0.02 0.18 -0.04 2.70 3.19 2q9iE1 MET 242 H 0.12 0.26 -0.02 -0.55 8.47 8.28 2q9iE1 MET 242 HA 0.07 -0.08 0.78 -0.75 4.52 4.55 2q9iE1 MET 242 HB2 0.05 0.10 -0.24 -0.04 2.15 2.02 2q9iE1 MET 242 HB3 -0.00 0.11 0.06 -0.04 2.03 2.16 2q9iE1 MET 242 HG2 0.04 -0.04 -0.34 -0.04 2.63 2.26 2q9iE1 MET 242 HG3 -0.03 0.27 -0.35 -0.04 2.56 2.42 2q9iE1 MET 242 HE3 -0.40 0.12 -0.07 -0.04 2.10 1.71 2q9iE1 ASN 243 H 0.16 -0.07 -0.37 -0.55 8.53 7.70 2q9iE1 ASN 243 HA 0.08 0.31 0.91 -0.75 4.76 5.30 2q9iE1 ASN 243 HB2 0.09 -0.10 0.09 -0.04 2.88 2.92 2q9iE1 ASN 243 HB3 0.06 0.01 -0.04 -0.04 2.79 2.78 2q9iE1 ASN 243 HD21 0.05 0.03 -0.04 -0.04 7.03 7.03 2q9iE1 ASN 243 HD22 0.05 0.01 0.02 -0.04 7.74 7.78 2q9iE1 THR 244 H 0.12 0.01 0.00 -0.55 8.28 7.86 2q9iE1 THR 244 HA 0.04 0.00 0.32 -0.75 4.39 4.01 2q9iE1 THR 244 HB -0.06 0.02 0.04 -0.04 4.32 4.28 2q9iE1 THR 244 HG23 -0.20 0.02 -0.15 -0.04 1.22 0.84 2q9iE1 GLU 245 H 0.09 0.07 0.17 -0.55 8.60 8.37 2q9iE1 GLU 245 HA 0.13 -0.00 0.38 -0.75 4.29 4.05 2q9iE1 GLU 245 HB2 0.46 0.08 -0.09 -0.04 2.09 2.50 2q9iE1 GLU 245 HB3 0.26 0.05 0.07 -0.04 1.99 2.32 2q9iE1 GLU 245 HG2 0.07 0.02 0.03 -0.04 2.34 2.42 2q9iE1 GLU 245 HG3 0.03 -0.11 -0.09 -0.04 2.34 2.12 2q9iE1 ASN 246 H 0.10 0.13 -0.07 -0.55 8.53 8.15 2q9iE1 ASN 246 HA 0.03 -0.04 0.26 -0.75 4.76 4.26 2q9iE1 ASN 246 HB2 0.03 0.41 0.20 -0.04 2.88 3.48 2q9iE1 ASN 246 HB3 -0.05 -0.00 0.12 -0.04 2.79 2.82 2q9iE1 ASN 246 HD21 -0.00 -0.07 -0.06 -0.04 7.03 6.86 2q9iE1 ASN 246 HD22 -0.03 0.07 -0.04 -0.04 7.74 7.70 2q9iE1 GLY 247 H 0.24 0.28 -0.85 -0.55 8.43 7.55 2q9iE1 GLY 247 HA2 0.23 0.07 0.21 -0.51 4.01 4.00 2q9iE1 GLY 247 HA3 0.02 0.07 0.19 -0.51 4.01 3.78 2q9iE1 GLY 248 H -0.05 0.10 0.02 -0.55 8.43 7.96 2q9iE1 GLY 248 HA2 -0.16 0.01 -0.15 -0.51 4.01 3.19 2q9iE1 GLY 248 HA3 -0.28 0.19 0.54 -0.51 4.01 3.95 2q9iE1 TRP 249 H 0.10 0.29 -0.15 -0.55 7.97 7.66 2q9iE1 TRP 249 HA 0.03 0.30 0.63 -0.75 4.62 4.82 2q9iE1 TRP 249 HB2 0.04 -0.01 0.17 -0.04 3.23 3.39 2q9iE1 TRP 249 HB3 0.03 -0.07 -0.10 -0.04 3.23 3.05 2q9iE1 TRP 249 HD1 0.02 -0.05 -0.08 -0.04 7.22 7.07 2q9iE1 TRP 249 HE1 0.03 0.26 -0.10 -0.04 10.20 10.35 2q9iE1 TRP 249 HE3 0.02 -0.03 -0.39 -0.04 7.59 7.14 2q9iE1 TRP 249 HZ2 0.13 0.02 -0.12 -0.04 7.44 7.43 2q9iE1 TRP 249 HZ3 0.04 0.01 -0.36 -0.04 7.13 6.77 2q9iE1 TRP 249 HH2 0.18 -0.04 -0.23 -0.04 7.19 7.05 2q9iE1 THR 250 H 0.26 0.79 0.39 -0.55 8.28 9.18 2q9iE1 THR 250 HA 0.16 0.15 0.84 -0.75 4.39 4.79 2q9iE1 THR 250 HB 0.14 -0.01 0.22 -0.04 4.32 4.63 2q9iE1 THR 250 HG23 0.10 0.03 -0.07 -0.04 1.22 1.25 2q9iE1 VAL 251 H 0.25 0.56 0.27 -0.55 8.24 8.78 2q9iE1 VAL 251 HA 0.08 0.01 0.65 -0.75 4.13 4.12 2q9iE1 VAL 251 HB 0.32 0.03 0.17 -0.04 2.12 2.59 2q9iE1 VAL 251 HG13 -0.13 0.01 -0.18 -0.04 0.97 0.63 2q9iE1 VAL 251 HG23 0.16 -0.01 -0.07 -0.04 0.95 0.98 2q9iE1 ILE 252 H -0.05 0.81 0.62 -0.55 8.25 9.07 2q9iE1 ILE 252 HA -0.15 0.09 0.78 -0.75 4.18 4.15 2q9iE1 ILE 252 HB -0.05 0.10 0.05 -0.04 1.89 1.95 2q9iE1 ILE 252 HG12 0.08 -0.01 -0.08 -0.04 1.49 1.45 2q9iE1 ILE 252 HG13 -0.11 -0.06 -0.01 -0.04 1.21 0.99 2q9iE1 ILE 252 HG23 -0.33 -0.04 -0.18 -0.04 0.93 0.34 2q9iE1 ILE 252 HD13 0.07 0.08 -0.25 -0.04 0.88 0.74 2q9iE1 GLN 253 H -0.17 0.40 0.43 -0.55 8.47 8.58 2q9iE1 GLN 253 HA -0.18 0.38 0.95 -0.75 4.36 4.76 2q9iE1 GLN 253 HB2 0.01 0.01 -0.09 -0.04 2.15 2.05 2q9iE1 GLN 253 HB3 0.14 -0.13 0.08 -0.04 2.02 2.07 2q9iE1 GLN 253 HG2 0.53 0.09 0.10 -0.04 2.40 3.08 2q9iE1 GLN 253 HG3 0.96 -0.03 -0.07 -0.04 2.39 3.22 2q9iE1 GLN 253 HE21 -0.06 -0.02 -0.19 -0.04 6.97 6.67 2q9iE1 GLN 253 HE22 -0.02 0.07 -0.32 -0.04 7.69 7.37 2q9iE1 ASN 254 H 0.04 0.45 0.33 -0.55 8.53 8.80 2q9iE1 ASN 254 HA -0.08 0.14 0.77 -0.75 4.76 4.84 2q9iE1 ASN 254 HB2 -0.16 0.03 -0.11 -0.04 2.88 2.60 2q9iE1 ASN 254 HB3 -0.07 0.09 0.11 -0.04 2.79 2.88 2q9iE1 ASN 254 HD21 -0.07 -0.05 -0.30 -0.04 7.03 6.56 2q9iE1 ASN 254 HD22 0.00 0.49 -0.26 -0.04 7.74 7.93 2q9iE1 ARG 255 H -0.07 0.65 0.40 -0.55 8.46 8.88 2q9iE1 ARG 255 HA -0.07 0.01 0.89 -0.75 4.34 4.41 2q9iE1 ARG 255 HB2 -0.03 -0.06 0.05 -0.04 1.90 1.81 2q9iE1 ARG 255 HB3 0.01 -0.05 0.03 -0.04 1.80 1.74 2q9iE1 ARG 255 HG2 -0.22 -0.02 -0.20 -0.04 1.67 1.19 2q9iE1 ARG 255 HG3 -0.24 0.14 -0.02 -0.04 1.67 1.51 2q9iE1 ARG 255 HD2 -0.59 0.19 -0.07 -0.04 3.22 2.71 2q9iE1 ARG 255 HD3 -1.62 0.03 -0.09 -0.04 3.22 1.50 2q9iE1 GLN 256 H -0.13 -0.27 0.24 -0.55 8.47 7.76 2q9iE1 GLN 256 HA -0.04 0.31 0.71 -0.75 4.36 4.58 2q9iE1 GLN 256 HB2 -0.07 0.03 0.05 -0.04 2.15 2.12 2q9iE1 GLN 256 HB3 -0.07 0.11 -0.17 -0.04 2.02 1.84 2q9iE1 GLN 256 HG2 -0.05 -0.20 -0.19 -0.04 2.40 1.92 2q9iE1 GLN 256 HG3 -0.05 0.03 -0.21 -0.04 2.39 2.12 2q9iE1 GLN 256 HE21 -0.04 0.51 -0.23 -0.04 6.97 7.17 2q9iE1 GLN 256 HE22 -0.01 -0.17 -0.19 -0.04 7.69 7.28 2q9iE1 ASP 257 H -0.23 -0.24 0.25 -0.55 8.40 7.64 2q9iE1 ASP 257 HA -0.06 0.30 0.82 -0.75 4.63 4.94 2q9iE1 ASP 257 HB2 0.06 0.06 0.15 -0.04 2.71 2.93 2q9iE1 ASP 257 HB3 0.02 0.12 -0.10 -0.04 2.70 2.70 2q9iE1 GLY 258 H -0.81 -0.07 0.18 -0.55 8.43 7.18 2q9iE1 GLY 258 HA2 -0.33 0.04 0.38 -0.51 4.01 3.59 2q9iE1 GLY 258 HA3 -0.39 0.17 0.40 -0.51 4.01 3.67 2q9iE1 SER 259 H -0.07 -0.10 -0.26 -0.55 8.46 7.48 2q9iE1 SER 259 HA 0.02 0.20 0.50 -0.75 4.49 4.45 2q9iE1 SER 259 HB2 0.02 0.05 0.09 -0.04 3.95 4.07 2q9iE1 SER 259 HB3 0.01 0.05 0.00 -0.04 3.93 3.94 2q9iE1 VAL 260 H 0.12 -0.01 -0.21 -0.55 8.24 7.59 2q9iE1 VAL 260 HA 0.09 0.23 1.00 -0.75 4.13 4.71 2q9iE1 VAL 260 HB 0.41 -0.08 -0.06 -0.04 2.12 2.35 2q9iE1 VAL 260 HG13 0.11 0.02 -0.27 -0.04 0.97 0.79 2q9iE1 VAL 260 HG23 0.14 0.07 -0.08 -0.04 0.95 1.05 2q9iE1 ASP 261 H 0.03 0.17 0.08 -0.55 8.40 8.13 2q9iE1 ASP 261 HA 0.10 0.07 0.51 -0.75 4.63 4.56 2q9iE1 ASP 261 HB2 -0.01 0.05 0.09 -0.04 2.71 2.80 2q9iE1 ASP 261 HB3 -0.11 -0.01 0.12 -0.04 2.70 2.66 2q9iE1 PHE 262 H 0.30 0.21 0.16 -0.55 8.34 8.45 2q9iE1 PHE 262 HA 0.05 0.17 0.84 -0.75 4.62 4.93 2q9iE1 PHE 262 HB2 0.12 0.11 0.05 -0.04 3.15 3.40 2q9iE1 PHE 262 HB3 0.18 0.15 0.13 -0.04 3.06 3.48 2q9iE1 PHE 262 HD2 0.21 0.09 -0.12 -0.04 7.28 7.41 2q9iE1 PHE 262 HE2 0.28 -0.08 -0.14 -0.04 7.38 7.40 2q9iE1 PHE 262 HZ 0.12 0.02 -0.13 -0.04 7.32 7.30 2q9iE1 GLY 263 H 0.07 0.03 -0.21 -0.55 8.43 7.77 2q9iE1 GLY 263 HA2 0.22 0.08 0.91 -0.51 4.01 4.71 2q9iE1 GLY 263 HA3 0.15 0.13 0.40 -0.51 4.01 4.18 2q9iE1 ARG 264 H 0.09 0.27 -0.03 -0.55 8.46 8.23 2q9iE1 ARG 264 HA 0.01 0.20 0.88 -0.75 4.34 4.66 2q9iE1 ARG 264 HB2 -0.65 0.03 -0.10 -0.04 1.90 1.14 2q9iE1 ARG 264 HB3 -0.32 -0.10 0.04 -0.04 1.80 1.38 2q9iE1 ARG 264 HG2 -0.37 0.04 -0.37 -0.04 1.67 0.94 2q9iE1 ARG 264 HG3 -0.99 0.06 -0.37 -0.04 1.67 0.34 2q9iE1 ARG 264 HD2 -1.61 -0.01 -0.11 -0.04 3.22 1.45 2q9iE1 ARG 264 HD3 -0.47 -0.05 -0.05 -0.04 3.22 2.61 2q9iE1 LYS 265 H -0.11 0.13 0.10 -0.55 8.42 7.99 2q9iE1 LYS 265 HA -0.42 0.02 0.39 -0.75 4.32 3.56 2q9iE1 LYS 265 HB2 -0.03 0.02 0.09 -0.04 1.87 1.91 2q9iE1 LYS 265 HB3 -0.04 -0.15 0.20 -0.04 1.79 1.75 2q9iE1 LYS 265 HG2 -0.65 0.02 -0.02 -0.04 1.46 0.77 2q9iE1 LYS 265 HG3 -0.05 0.06 0.07 -0.04 1.46 1.50 2q9iE1 LYS 265 HD2 0.03 0.03 0.04 -0.04 1.69 1.74 2q9iE1 LYS 265 HD3 -0.02 -0.02 0.05 -0.04 1.68 1.65 2q9iE1 LYS 265 HE2 0.33 0.01 -0.03 -0.04 2.99 3.26 2q9iE1 LYS 265 HE3 0.18 0.04 0.01 -0.04 2.99 3.18 2q9iE1 TRP 266 H 0.20 0.15 0.10 -0.55 7.97 7.88 2q9iE1 TRP 266 HA 0.15 0.14 0.42 -0.75 4.62 4.58 2q9iE1 TRP 266 HB2 0.03 -0.00 0.01 -0.04 3.23 3.22 2q9iE1 TRP 266 HB3 0.03 0.02 0.09 -0.04 3.23 3.32 2q9iE1 TRP 266 HD1 0.09 -0.01 -0.26 -0.04 7.22 7.00 2q9iE1 TRP 266 HE1 0.13 -0.00 -0.06 -0.04 10.20 10.22 2q9iE1 TRP 266 HE3 0.10 -0.13 -0.05 -0.04 7.59 7.46 2q9iE1 TRP 266 HZ2 -0.01 -0.03 -0.02 -0.04 7.44 7.34 2q9iE1 TRP 266 HZ3 0.21 0.46 -0.06 -0.04 7.13 7.70 2q9iE1 TRP 266 HH2 0.22 0.06 -0.05 -0.04 7.19 7.38 2q9iE1 ASP 267 H 0.24 0.09 -0.02 -0.55 8.40 8.16 2q9iE1 ASP 267 HA 0.18 0.08 0.41 -0.75 4.63 4.55 2q9iE1 ASP 267 HB2 0.17 0.01 0.11 -0.04 2.71 2.95 2q9iE1 ASP 267 HB3 0.09 0.04 0.05 -0.04 2.70 2.84 2q9iE1 PRO 268 HA 0.06 0.17 0.38 -0.51 4.44 4.53 2q9iE1 PRO 268 HB2 -0.18 0.08 -0.14 -0.04 2.28 2.00 2q9iE1 PRO 268 HB3 -0.14 0.10 -0.02 -0.04 2.02 1.92 2q9iE1 PRO 268 HG2 -0.06 -0.06 0.01 -0.04 2.03 1.87 2q9iE1 PRO 268 HG3 -0.01 0.11 -0.02 -0.04 2.03 2.07 2q9iE1 PRO 268 HD2 0.04 0.01 -0.59 -0.04 3.68 3.11 2q9iE1 PRO 268 HD3 0.06 0.05 0.01 -0.04 3.65 3.73 2q9iE1 TYR 269 H 0.10 0.31 -0.43 -0.55 8.29 7.73 2q9iE1 TYR 269 HA 0.18 0.11 0.54 -0.75 4.56 4.64 2q9iE1 TYR 269 HB2 -0.12 0.12 0.09 -0.04 3.06 3.11 2q9iE1 TYR 269 HB3 -0.25 -0.04 -0.09 -0.04 2.98 2.56 2q9iE1 TYR 269 HD2 -0.69 0.11 -0.02 -0.04 7.15 6.51 2q9iE1 TYR 269 HE2 -0.80 -0.06 0.13 -0.04 6.85 6.08 2q9iE1 LYS 270 H -0.11 0.41 -0.16 -0.55 8.42 8.01 2q9iE1 LYS 270 HA -0.24 -0.09 0.52 -0.75 4.32 3.76 2q9iE1 LYS 270 HB2 -0.23 -0.01 0.09 -0.04 1.87 1.68 2q9iE1 LYS 270 HB3 -0.03 0.14 0.26 -0.04 1.79 2.12 2q9iE1 LYS 270 HG2 0.06 0.08 -0.31 -0.04 1.46 1.26 2q9iE1 LYS 270 HG3 0.16 -0.11 -0.01 -0.04 1.46 1.46 2q9iE1 LYS 270 HD2 0.33 -0.03 -0.02 -0.04 1.69 1.92 2q9iE1 LYS 270 HD3 0.19 0.00 0.02 -0.04 1.68 1.84 2q9iE1 LYS 270 HE2 0.15 0.00 -0.02 -0.04 2.99 3.09 2q9iE1 LYS 270 HE3 0.10 0.05 -0.04 -0.04 2.99 3.07 2q9iE1 GLN 271 H 0.03 0.62 0.05 -0.55 8.47 8.62 2q9iE1 GLN 271 HA -0.01 -0.01 0.53 -0.75 4.36 4.12 2q9iE1 GLN 271 HB2 0.05 0.07 0.11 -0.04 2.15 2.33 2q9iE1 GLN 271 HB3 0.02 0.02 0.09 -0.04 2.02 2.11 2q9iE1 GLN 271 HG2 0.05 0.18 0.10 -0.04 2.40 2.70 2q9iE1 GLN 271 HG3 0.04 -0.05 0.00 -0.04 2.39 2.34 2q9iE1 GLN 271 HE21 0.06 -0.02 -0.02 -0.04 6.97 6.95 2q9iE1 GLN 271 HE22 0.08 -0.04 0.01 -0.04 7.69 7.70 2q9iE1 GLY 272 H 0.09 0.13 -0.42 -0.55 8.43 7.69 2q9iE1 GLY 272 HA2 0.08 -0.07 0.28 -0.51 4.01 3.78 2q9iE1 GLY 272 HA3 -0.03 0.37 0.46 -0.51 4.01 4.30 2q9iE1 PHE 273 H -0.48 0.37 0.31 -0.55 8.34 7.99 2q9iE1 PHE 273 HA -0.02 0.18 0.70 -0.75 4.62 4.73 2q9iE1 PHE 273 HB2 -0.12 -0.08 0.11 -0.04 3.15 3.02 2q9iE1 PHE 273 HB3 -0.12 0.08 -0.16 -0.04 3.06 2.81 2q9iE1 PHE 273 HD2 -0.33 0.14 -0.37 -0.04 7.28 6.67 2q9iE1 PHE 273 HE2 -1.95 -0.04 -0.17 -0.04 7.38 5.18 2q9iE1 PHE 273 HZ -1.01 0.05 0.01 -0.04 7.32 6.32 2q9iE1 GLY 274 H 0.18 0.14 0.16 -0.55 8.43 8.36 2q9iE1 GLY 274 HA2 0.16 -0.00 0.33 -0.51 4.01 3.99 2q9iE1 GLY 274 HA3 0.16 0.16 0.94 -0.51 4.01 4.77 2q9iE1 ASN 275 H 0.14 0.57 0.13 -0.55 8.53 8.82 2q9iE1 ASN 275 HA -0.02 0.17 0.86 -0.75 4.76 5.02 2q9iE1 ASN 275 HB2 0.06 -0.08 0.07 -0.04 2.88 2.89 2q9iE1 ASN 275 HB3 0.01 0.03 -0.13 -0.04 2.79 2.66 2q9iE1 ASN 275 HD21 0.03 0.05 -0.07 -0.04 7.03 6.99 2q9iE1 ASN 275 HD22 0.04 -0.06 -0.05 -0.04 7.74 7.63 2q9iE1 VAL 276 H -0.18 0.22 -0.02 -0.55 8.24 7.71 2q9iE1 VAL 276 HA -1.25 0.07 0.18 -0.75 4.13 2.38 2q9iE1 VAL 276 HB -0.16 -0.01 -0.06 -0.04 2.12 1.85 2q9iE1 VAL 276 HG13 -0.20 -0.01 -0.33 -0.04 0.97 0.40 2q9iE1 VAL 276 HG23 -0.35 0.04 -0.14 -0.04 0.95 0.46 2q9iE1 ALA 277 H -0.05 0.16 -0.19 -0.55 8.40 7.77 2q9iE1 ALA 277 HA 0.04 0.06 0.25 -0.75 4.34 3.93 2q9iE1 ALA 277 HB3 0.16 0.05 -0.12 -0.04 1.41 1.46 2q9iE1 THR 278 H 0.04 0.60 0.05 -0.55 8.28 8.43 2q9iE1 THR 278 HA -0.01 0.10 0.73 -0.75 4.39 4.46 2q9iE1 THR 278 HB -0.01 0.02 0.04 -0.04 4.32 4.33 2q9iE1 THR 278 HG23 0.00 -0.01 -0.34 -0.04 1.22 0.83 2q9iE1 ASN 279 H -0.03 0.12 0.09 -0.55 8.53 8.17 2q9iE1 ASN 279 HA -0.10 0.06 0.47 -0.75 4.76 4.43 2q9iE1 ASN 279 HB2 -0.05 -0.02 -0.00 -0.04 2.88 2.77 2q9iE1 ASN 279 HB3 -0.09 0.34 -0.11 -0.04 2.79 2.89 2q9iE1 ASN 279 HD21 -0.03 0.15 -0.08 -0.04 7.03 7.03 2q9iE1 ASN 279 HD22 -0.06 0.19 -0.23 -0.04 7.74 7.59 2q9iE1 THR 280 H -0.24 0.35 0.19 -0.55 8.28 8.03 2q9iE1 THR 280 HA -0.07 0.09 0.64 -0.75 4.39 4.29 2q9iE1 THR 280 HB -0.19 -0.05 0.11 -0.04 4.32 4.15 2q9iE1 THR 280 HG23 -0.04 0.01 -0.04 -0.04 1.22 1.11 2q9iE1 ASP 281 H -0.05 0.16 0.08 -0.55 8.40 8.05 2q9iE1 ASP 281 HA -0.03 0.04 0.28 -0.75 4.63 4.17 2q9iE1 ASP 281 HB2 -0.02 -0.03 0.18 -0.04 2.71 2.80 2q9iE1 ASP 281 HB3 -0.02 0.03 0.08 -0.04 2.70 2.74 2q9iE1 GLY 282 H -0.03 -0.01 0.16 -0.55 8.43 8.00 2q9iE1 GLY 282 HA2 -0.02 0.03 0.39 -0.51 4.01 3.89 2q9iE1 GLY 282 HA3 -0.02 -0.09 0.40 -0.51 4.01 3.79 2q9iE1 LYS 283 H -0.05 -0.04 0.08 -0.55 8.42 7.86 2q9iE1 LYS 283 HA 0.01 -0.08 0.38 -0.75 4.32 3.87 2q9iE1 LYS 283 HB2 -0.32 0.21 0.10 -0.04 1.87 1.82 2q9iE1 LYS 283 HB3 -0.59 -0.14 0.06 -0.04 1.79 1.08 2q9iE1 LYS 283 HG2 0.09 0.00 0.06 -0.04 1.46 1.58 2q9iE1 LYS 283 HG3 0.20 -0.02 0.11 -0.04 1.46 1.71 2q9iE1 LYS 283 HD2 0.01 -0.06 0.12 -0.04 1.69 1.72 2q9iE1 LYS 283 HD3 -0.04 0.05 0.07 -0.04 1.68 1.72 2q9iE1 LYS 283 HE2 0.04 -0.01 0.03 -0.04 2.99 3.00 2q9iE1 LYS 283 HE3 0.09 0.01 0.03 -0.04 2.99 3.08 2q9iE1 ASN 284 H 0.09 0.03 0.18 -0.55 8.53 8.28 2q9iE1 ASN 284 HA -0.01 0.27 0.70 -0.75 4.76 4.96 2q9iE1 ASN 284 HB2 0.04 0.00 0.14 -0.04 2.88 3.02 2q9iE1 ASN 284 HB3 0.03 0.02 0.10 -0.04 2.79 2.90 2q9iE1 ASN 284 HD21 0.06 -0.01 0.02 -0.04 7.03 7.07 2q9iE1 ASN 284 HD22 0.04 0.03 0.03 -0.04 7.74 7.80 2q9iE1 TYR 285 H -0.08 -0.00 -0.11 -0.55 8.29 7.54 2q9iE1 TYR 285 HA -0.04 0.18 0.97 -0.75 4.56 4.92 2q9iE1 TYR 285 HB2 -0.09 0.09 -0.01 -0.04 3.06 3.01 2q9iE1 TYR 285 HB3 -0.06 0.03 -0.03 -0.04 2.98 2.87 2q9iE1 TYR 285 HD2 -0.05 -0.01 -0.15 -0.04 7.15 6.89 2q9iE1 TYR 285 HE2 -0.02 0.02 -0.02 -0.04 6.85 6.79 2q9iE1 CYS 286 H 0.04 0.21 0.05 -0.55 8.50 8.25 2q9iE1 CYS 286 HA -0.08 0.09 0.52 -0.75 4.58 4.36 2q9iE1 CYS 286 HB2 0.02 -0.01 0.04 -0.04 2.97 2.98 2q9iE1 CYS 286 HB3 0.03 0.05 -0.31 -0.04 2.97 2.70 2q9iE1 GLY 287 H -0.15 0.14 0.18 -0.55 8.43 8.05 2q9iE1 GLY 287 HA2 0.16 0.12 0.75 -0.51 4.01 4.53 2q9iE1 GLY 287 HA3 0.07 -0.03 0.32 -0.51 4.01 3.87 2q9iE1 LEU 288 H 0.07 0.31 -0.04 -0.55 8.37 8.16 2q9iE1 LEU 288 HA 0.08 0.18 0.82 -0.75 4.35 4.68 2q9iE1 LEU 288 HB2 0.01 -0.02 -0.06 -0.04 1.64 1.53 2q9iE1 LEU 288 HB3 -0.01 0.10 -0.00 -0.04 1.64 1.69 2q9iE1 LEU 288 HG -0.00 -0.13 -0.19 -0.04 1.64 1.28 2q9iE1 LEU 288 HD13 -0.01 0.02 -0.07 -0.04 0.93 0.83 2q9iE1 LEU 288 HD23 0.02 0.02 -0.03 -0.04 0.89 0.86 2q9iE1 PRO 289 HA -0.19 0.24 0.66 -0.51 4.44 4.64 2q9iE1 PRO 289 HB2 -0.31 0.12 -0.02 -0.04 2.28 2.03 2q9iE1 PRO 289 HB3 -1.59 -0.01 -0.02 -0.04 2.02 0.36 2q9iE1 PRO 289 HG2 -0.18 -0.00 -0.10 -0.04 2.03 1.71 2q9iE1 PRO 289 HG3 -0.32 -0.01 -0.03 -0.04 2.03 1.63 2q9iE1 PRO 289 HD2 -0.10 0.04 0.18 -0.04 3.68 3.76 2q9iE1 PRO 289 HD3 -0.26 0.18 0.10 -0.04 3.65 3.63 2q9iE1 GLY 290 H 0.07 0.38 -0.12 -0.55 8.43 8.20 2q9iE1 GLY 290 HA2 0.03 0.10 0.69 -0.51 4.01 4.33 2q9iE1 GLY 290 HA3 0.07 0.10 0.10 -0.51 4.01 3.76 2q9iE1 GLU 291 H 0.12 0.05 0.09 -0.55 8.60 8.32 2q9iE1 GLU 291 HA 0.17 0.25 0.66 -0.75 4.29 4.62 2q9iE1 GLU 291 HB2 0.22 -0.08 0.14 -0.04 2.09 2.33 2q9iE1 GLU 291 HB3 0.42 0.16 0.13 -0.04 1.99 2.65 2q9iE1 GLU 291 HG2 0.02 0.08 -0.03 -0.04 2.34 2.37 2q9iE1 GLU 291 HG3 0.03 -0.00 0.06 -0.04 2.34 2.39 2q9iE1 TYR 292 H 0.23 0.31 0.30 -0.55 8.29 8.58 2q9iE1 TYR 292 HA -0.00 0.06 0.47 -0.75 4.56 4.34 2q9iE1 TYR 292 HB2 -0.05 0.22 -0.10 -0.04 3.06 3.09 2q9iE1 TYR 292 HB3 0.04 0.01 -0.71 -0.04 2.98 2.28 2q9iE1 TYR 292 HD2 -0.02 0.11 -0.49 -0.04 7.15 6.71 2q9iE1 TYR 292 HE2 0.00 0.03 -0.06 -0.04 6.85 6.78 2q9iE1 TRP 293 H -0.21 0.88 0.24 -0.55 7.97 8.33 2q9iE1 TRP 293 HA -0.20 0.19 0.97 -0.75 4.62 4.83 2q9iE1 TRP 293 HB2 -0.65 0.02 -0.01 -0.04 3.23 2.54 2q9iE1 TRP 293 HB3 -1.71 -0.07 0.23 -0.04 3.23 1.65 2q9iE1 TRP 293 HD1 -0.29 0.01 0.07 -0.04 7.22 6.97 2q9iE1 TRP 293 HE1 -0.22 0.01 -0.00 -0.04 10.20 9.94 2q9iE1 TRP 293 HE3 0.31 0.01 0.07 -0.04 7.59 7.94 2q9iE1 TRP 293 HZ2 -0.44 -0.01 -0.09 -0.04 7.44 6.86 2q9iE1 TRP 293 HZ3 0.40 -0.05 -0.08 -0.04 7.13 7.36 2q9iE1 TRP 293 HH2 0.33 -0.03 -0.09 -0.04 7.19 7.36 2q9iE1 LEU 294 H -0.47 0.67 0.19 -0.55 8.37 8.21 2q9iE1 LEU 294 HA 0.10 0.04 0.33 -0.75 4.35 4.07 2q9iE1 LEU 294 HB2 -0.05 0.09 0.23 -0.04 1.64 1.87 2q9iE1 LEU 294 HB3 -0.34 -0.09 0.12 -0.04 1.64 1.29 2q9iE1 LEU 294 HG -0.11 -0.02 -0.19 -0.04 1.64 1.27 2q9iE1 LEU 294 HD13 0.24 0.01 0.08 -0.04 0.93 1.21 2q9iE1 LEU 294 HD23 0.10 -0.00 -0.11 -0.04 0.89 0.84 2q9iE1 GLY 295 H -0.74 -0.00 -0.31 -0.55 8.43 6.83 2q9iE1 GLY 295 HA2 0.02 0.10 0.11 -0.51 4.01 3.73 2q9iE1 GLY 295 HA3 -0.13 0.34 0.61 -0.51 4.01 4.31 2q9iE1 ASN 296 H -0.06 0.76 0.32 -0.55 8.53 9.01 2q9iE1 ASN 296 HA -0.34 -0.01 0.32 -0.75 4.76 3.98 2q9iE1 ASN 296 HB2 -0.76 -0.04 0.12 -0.04 2.88 2.16 2q9iE1 ASN 296 HB3 -2.40 -0.03 -0.03 -0.04 2.79 0.29 2q9iE1 ASN 296 HD21 -1.57 -0.03 -0.17 -0.04 7.03 5.22 2q9iE1 ASN 296 HD22 -1.06 -0.04 -0.21 -0.04 7.74 6.39 2q9iE1 ASP 297 H -0.12 0.43 -0.20 -0.55 8.40 7.96 2q9iE1 ASP 297 HA 0.10 0.01 0.55 -0.75 4.63 4.53 2q9iE1 ASP 297 HB2 -0.03 0.13 0.12 -0.04 2.71 2.89 2q9iE1 ASP 297 HB3 0.02 0.01 -0.03 -0.04 2.70 2.65 2q9iE1 LYS 298 H -0.15 0.22 -0.08 -0.55 8.42 7.86 2q9iE1 LYS 298 HA -0.11 0.01 0.31 -0.75 4.32 3.78 2q9iE1 LYS 298 HB2 -0.23 0.08 -0.04 -0.04 1.87 1.65 2q9iE1 LYS 298 HB3 -0.30 -0.01 -0.04 -0.04 1.79 1.40 2q9iE1 LYS 298 HG2 -0.57 -0.05 0.03 -0.04 1.46 0.83 2q9iE1 LYS 298 HG3 -0.30 -0.03 0.09 -0.04 1.46 1.18 2q9iE1 LYS 298 HD2 -0.41 0.24 0.06 -0.04 1.69 1.54 2q9iE1 LYS 298 HD3 -1.89 -0.05 0.01 -0.04 1.68 -0.30 2q9iE1 LYS 298 HE2 -0.64 -0.04 0.05 -0.04 2.99 2.32 2q9iE1 LYS 298 HE3 -0.32 -0.06 0.09 -0.04 2.99 2.66 2q9iE1 ILE 299 H -0.14 0.63 -0.30 -0.55 8.25 7.89 2q9iE1 ILE 299 HA -0.03 0.01 0.26 -0.75 4.18 3.67 2q9iE1 ILE 299 HB -0.13 0.05 0.01 -0.04 1.89 1.79 2q9iE1 ILE 299 HG12 -0.24 -0.02 -0.04 -0.04 1.49 1.15 2q9iE1 ILE 299 HG13 -0.30 0.30 -0.11 -0.04 1.21 1.07 2q9iE1 ILE 299 HG23 0.05 -0.02 -0.20 -0.04 0.93 0.73 2q9iE1 ILE 299 HD13 -0.72 -0.03 -0.17 -0.04 0.88 -0.08 2q9iE1 SER 300 H -0.04 0.51 -0.14 -0.55 8.46 8.23 2q9iE1 SER 300 HA -0.04 0.00 0.40 -0.75 4.49 4.10 2q9iE1 SER 300 HB2 0.15 0.08 0.04 -0.04 3.95 4.18 2q9iE1 SER 300 HB3 0.09 -0.03 0.20 -0.04 3.93 4.14 2q9iE1 GLN 301 H 0.02 0.55 -0.05 -0.55 8.47 8.44 2q9iE1 GLN 301 HA 0.02 -0.05 0.26 -0.75 4.36 3.84 2q9iE1 GLN 301 HB2 0.03 -0.07 0.07 -0.04 2.15 2.13 2q9iE1 GLN 301 HB3 0.03 0.15 0.06 -0.04 2.02 2.22 2q9iE1 GLN 301 HG2 0.03 -0.03 0.00 -0.04 2.40 2.37 2q9iE1 GLN 301 HG3 0.04 -0.08 -0.05 -0.04 2.39 2.26 2q9iE1 GLN 301 HE21 0.05 0.00 -0.17 -0.04 6.97 6.81 2q9iE1 GLN 301 HE22 0.04 -0.02 -0.13 -0.04 7.69 7.54 2q9iE1 LEU 302 H 0.02 0.43 -0.58 -0.55 8.37 7.69 2q9iE1 LEU 302 HA 0.04 0.01 0.50 -0.75 4.35 4.15 2q9iE1 LEU 302 HB2 0.04 0.18 0.22 -0.04 1.64 2.04 2q9iE1 LEU 302 HB3 0.06 -0.11 -0.01 -0.04 1.64 1.53 2q9iE1 LEU 302 HG 0.11 0.33 0.03 -0.04 1.64 2.07 2q9iE1 LEU 302 HD13 0.12 -0.05 -0.09 -0.04 0.93 0.86 2q9iE1 LEU 302 HD23 0.10 -0.04 0.01 -0.04 0.89 0.92 2q9iE1 THR 303 H -0.05 0.56 0.19 -0.55 8.28 8.44 2q9iE1 THR 303 HA -0.02 0.01 0.46 -0.75 4.39 4.09 2q9iE1 THR 303 HB -0.30 0.19 0.15 -0.04 4.32 4.31 2q9iE1 THR 303 HG23 -0.41 0.01 -0.04 -0.04 1.22 0.74 2q9iE1 ARG 304 H -0.03 0.48 -0.43 -0.55 8.46 7.93 2q9iE1 ARG 304 HA -0.02 0.07 0.55 -0.75 4.34 4.18 2q9iE1 ARG 304 HB2 0.00 0.06 -0.07 -0.04 1.90 1.84 2q9iE1 ARG 304 HB3 0.00 -0.09 0.07 -0.04 1.80 1.73 2q9iE1 ARG 304 HG2 -0.05 -0.06 -0.14 -0.04 1.67 1.38 2q9iE1 ARG 304 HG3 -0.01 0.01 -0.20 -0.04 1.67 1.43 2q9iE1 ARG 304 HD2 -0.01 0.00 -0.06 -0.04 3.22 3.11 2q9iE1 ARG 304 HD3 -0.00 -0.06 -0.11 -0.04 3.22 3.01 2q9iE1 MET 305 H 0.01 0.49 -0.36 -0.55 8.47 8.06 2q9iE1 MET 305 HA 0.01 -0.01 0.53 -0.75 4.52 4.30 2q9iE1 MET 305 HB2 0.02 0.05 0.10 -0.04 2.15 2.28 2q9iE1 MET 305 HB3 0.01 -0.11 0.07 -0.04 2.03 1.96 2q9iE1 MET 305 HG2 0.02 -0.03 0.09 -0.04 2.63 2.67 2q9iE1 MET 305 HG3 0.02 0.15 0.36 -0.04 2.56 3.05 2q9iE1 MET 305 HE3 0.01 0.00 -0.01 -0.04 2.10 2.06 2q9iE1 GLY 306 H 0.02 0.41 -0.11 -0.55 8.43 8.21 2q9iE1 GLY 306 HA2 0.03 0.02 0.27 -0.51 4.01 3.81 2q9iE1 GLY 306 HA3 0.03 0.04 0.36 -0.51 4.01 3.93 2q9iE1 PRO 307 HA 0.07 0.01 0.51 -0.51 4.44 4.52 2q9iE1 PRO 307 HB2 0.22 -0.03 0.19 -0.04 2.28 2.62 2q9iE1 PRO 307 HB3 0.23 -0.00 0.15 -0.04 2.02 2.36 2q9iE1 PRO 307 HG2 0.13 0.07 0.11 -0.04 2.03 2.29 2q9iE1 PRO 307 HG3 0.09 0.00 0.12 -0.04 2.03 2.20 2q9iE1 PRO 307 HD2 0.07 0.14 0.17 -0.04 3.68 4.02 2q9iE1 PRO 307 HD3 0.05 0.10 0.20 -0.04 3.65 3.96 2q9iE1 THR 308 H 0.06 0.18 0.42 -0.55 8.28 8.39 2q9iE1 THR 308 HA 0.14 0.13 1.13 -0.75 4.39 5.04 2q9iE1 THR 308 HB 0.07 0.09 0.30 -0.04 4.32 4.74 2q9iE1 THR 308 HG23 0.19 -0.03 -0.11 -0.04 1.22 1.23 2q9iE1 GLU 309 H 0.23 0.78 0.33 -0.55 8.60 9.40 2q9iE1 GLU 309 HA 0.19 0.21 0.69 -0.75 4.29 4.63 2q9iE1 GLU 309 HB2 0.39 -0.12 -0.02 -0.04 2.09 2.30 2q9iE1 GLU 309 HB3 0.38 0.06 0.05 -0.04 1.99 2.44 2q9iE1 GLU 309 HG2 0.25 0.28 -0.09 -0.04 2.34 2.73 2q9iE1 GLU 309 HG3 0.52 -0.13 -0.27 -0.04 2.34 2.43 2q9iE1 LEU 310 H 0.27 0.58 0.18 -0.55 8.37 8.85 2q9iE1 LEU 310 HA 0.17 0.29 1.13 -0.75 4.35 5.19 2q9iE1 LEU 310 HB2 -0.34 0.03 -0.07 -0.04 1.64 1.21 2q9iE1 LEU 310 HB3 -0.01 0.03 0.13 -0.04 1.64 1.75 2q9iE1 LEU 310 HG -0.06 -0.07 -0.41 -0.04 1.64 1.06 2q9iE1 LEU 310 HD13 -0.26 0.06 -0.07 -0.04 0.93 0.63 2q9iE1 LEU 310 HD23 -0.83 -0.02 -0.08 -0.04 0.89 -0.09 2q9iE1 LEU 311 H -0.12 0.66 0.26 -0.55 8.37 8.62 2q9iE1 LEU 311 HA -0.51 0.18 1.16 -0.75 4.35 4.43 2q9iE1 LEU 311 HB2 -1.17 0.03 -0.08 -0.04 1.64 0.38 2q9iE1 LEU 311 HB3 -1.37 -0.01 0.07 -0.04 1.64 0.29 2q9iE1 LEU 311 HG -0.66 -0.06 -0.39 -0.04 1.64 0.49 2q9iE1 LEU 311 HD13 -0.55 0.01 -0.09 -0.04 0.93 0.27 2q9iE1 LEU 311 HD23 -0.98 -0.00 -0.14 -0.04 0.89 -0.28 2q9iE1 ILE 312 H -0.23 0.85 0.45 -0.55 8.25 8.78 2q9iE1 ILE 312 HA -0.19 0.36 1.24 -0.75 4.18 4.84 2q9iE1 ILE 312 HB -0.12 -0.04 0.24 -0.04 1.89 1.92 2q9iE1 ILE 312 HG12 0.00 0.02 -0.04 -0.04 1.49 1.43 2q9iE1 ILE 312 HG13 0.03 0.03 -0.15 -0.04 1.21 1.08 2q9iE1 ILE 312 HG23 -0.21 -0.01 -0.09 -0.04 0.93 0.59 2q9iE1 ILE 312 HD13 0.33 -0.03 -0.06 -0.04 0.88 1.08 2q9iE1 GLU 313 H -0.23 0.69 0.47 -0.55 8.60 8.99 2q9iE1 GLU 313 HA -0.36 0.19 1.13 -0.75 4.29 4.49 2q9iE1 GLU 313 HB2 -0.23 -0.03 0.03 -0.04 2.09 1.81 2q9iE1 GLU 313 HB3 -0.24 0.03 0.04 -0.04 1.99 1.78 2q9iE1 GLU 313 HG2 -0.29 -0.01 -0.10 -0.04 2.34 1.91 2q9iE1 GLU 313 HG3 -0.35 -0.02 -0.69 -0.04 2.34 1.25 2q9iE1 MET 314 H -0.34 0.52 0.40 -0.55 8.47 8.50 2q9iE1 MET 314 HA -0.14 0.29 0.65 -0.75 4.52 4.56 2q9iE1 MET 314 HB2 -0.02 0.02 0.15 -0.04 2.15 2.26 2q9iE1 MET 314 HB3 -0.21 0.01 -0.08 -0.04 2.03 1.71 2q9iE1 MET 314 HG2 -0.57 0.19 0.10 -0.04 2.63 2.31 2q9iE1 MET 314 HG3 -0.42 -0.07 -0.15 -0.04 2.56 1.88 2q9iE1 MET 314 HE3 -1.34 0.01 -0.22 -0.04 2.10 0.50 2q9iE1 GLU 315 H -0.04 0.50 0.38 -0.55 8.60 8.89 2q9iE1 GLU 315 HA 0.04 0.20 1.00 -0.75 4.29 4.77 2q9iE1 GLU 315 HB2 -0.10 -0.04 -0.18 -0.04 2.09 1.73 2q9iE1 GLU 315 HB3 -0.13 -0.07 0.08 -0.04 1.99 1.83 2q9iE1 GLU 315 HG2 -0.01 0.10 -0.06 -0.04 2.34 2.33 2q9iE1 GLU 315 HG3 -0.05 0.00 -0.14 -0.04 2.34 2.12 2q9iE1 ASP 316 H 0.32 0.51 0.22 -0.55 8.40 8.91 2q9iE1 ASP 316 HA 0.28 0.09 0.65 -0.75 4.63 4.90 2q9iE1 ASP 316 HB2 0.16 -0.01 0.13 -0.04 2.71 2.95 2q9iE1 ASP 316 HB3 -0.07 0.07 0.04 -0.04 2.70 2.69 2q9iE1 TRP 317 H 0.65 0.21 0.09 -0.55 7.97 8.37 2q9iE1 TRP 317 HA -0.05 0.19 0.54 -0.75 4.62 4.55 2q9iE1 TRP 317 HB2 0.01 0.05 0.03 -0.04 3.23 3.28 2q9iE1 TRP 317 HB3 -0.11 0.04 0.16 -0.04 3.23 3.29 2q9iE1 TRP 317 HD1 -0.13 -0.10 -0.06 -0.04 7.22 6.89 2q9iE1 TRP 317 HE1 -0.44 0.65 -0.15 -0.04 10.20 10.22 2q9iE1 TRP 317 HE3 -0.40 0.05 0.06 -0.04 7.59 7.26 2q9iE1 TRP 317 HZ2 -0.92 0.28 0.01 -0.04 7.44 6.77 2q9iE1 TRP 317 HZ3 -1.96 0.07 0.04 -0.04 7.13 5.24 2q9iE1 TRP 317 HH2 -1.85 0.08 0.01 -0.04 7.19 5.39 2q9iE1 LYS 318 H 0.13 -0.07 -0.67 -0.55 8.42 7.25 2q9iE1 LYS 318 HA 0.10 0.27 0.83 -0.75 4.32 4.76 2q9iE1 LYS 318 HB2 0.08 0.02 -0.05 -0.04 1.87 1.88 2q9iE1 LYS 318 HB3 0.05 -0.10 0.01 -0.04 1.79 1.71 2q9iE1 LYS 318 HG2 0.04 -0.00 0.06 -0.04 1.46 1.52 2q9iE1 LYS 318 HG3 0.04 0.06 0.09 -0.04 1.46 1.62 2q9iE1 LYS 318 HD2 -0.00 0.02 0.00 -0.04 1.69 1.67 2q9iE1 LYS 318 HD3 -0.01 -0.04 -0.01 -0.04 1.68 1.57 2q9iE1 LYS 318 HE2 -0.00 0.01 0.00 -0.04 2.99 2.96 2q9iE1 LYS 318 HE3 0.02 -0.01 -0.00 -0.04 2.99 2.96 2q9iE1 GLY 319 H 0.04 0.26 -0.13 -0.55 8.43 8.05 2q9iE1 GLY 319 HA2 -0.00 0.06 0.30 -0.51 4.01 3.85 2q9iE1 GLY 319 HA3 0.03 0.21 0.77 -0.51 4.01 4.51 2q9iE1 ASP 320 H 0.09 -0.04 -0.29 -0.55 8.40 7.61 2q9iE1 ASP 320 HA 0.08 0.13 0.48 -0.75 4.63 4.57 2q9iE1 ASP 320 HB2 0.25 -0.12 0.01 -0.04 2.71 2.81 2q9iE1 ASP 320 HB3 0.30 0.08 0.04 -0.04 2.70 3.08 2q9iE1 LYS 321 H 0.03 0.27 0.27 -0.55 8.42 8.44 2q9iE1 LYS 321 HA -0.15 0.08 0.89 -0.75 4.32 4.39 2q9iE1 LYS 321 HB2 -0.21 0.08 0.18 -0.04 1.87 1.88 2q9iE1 LYS 321 HB3 -0.09 0.03 0.02 -0.04 1.79 1.71 2q9iE1 LYS 321 HG2 -0.09 -0.06 0.10 -0.04 1.46 1.36 2q9iE1 LYS 321 HG3 -0.12 -0.02 -0.05 -0.04 1.46 1.23 2q9iE1 LYS 321 HD2 -0.03 0.18 -0.09 -0.04 1.69 1.70 2q9iE1 LYS 321 HD3 -0.04 -0.02 0.02 -0.04 1.68 1.60 2q9iE1 LYS 321 HE2 -0.08 -0.01 -0.06 -0.04 2.99 2.79 2q9iE1 LYS 321 HE3 -0.05 0.04 -0.03 -0.04 2.99 2.91 2q9iE1 VAL 322 H -0.68 0.51 0.34 -0.55 8.24 7.86 2q9iE1 VAL 322 HA -0.44 0.15 0.71 -0.75 4.13 3.79 2q9iE1 VAL 322 HB -0.74 -0.09 -0.24 -0.04 2.12 1.01 2q9iE1 VAL 322 HG13 -0.94 0.02 -0.22 -0.04 0.97 -0.21 2q9iE1 VAL 322 HG23 -1.94 -0.02 -0.14 -0.04 0.95 -1.19 2q9iE1 LYS 323 H -0.35 0.05 0.29 -0.55 8.42 7.87 2q9iE1 LYS 323 HA -0.43 0.32 1.17 -0.75 4.32 4.62 2q9iE1 LYS 323 HB2 -0.30 0.15 0.17 -0.04 1.87 1.85 2q9iE1 LYS 323 HB3 -0.28 -0.00 -0.03 -0.04 1.79 1.44 2q9iE1 LYS 323 HG2 -0.19 -0.03 0.05 -0.04 1.46 1.25 2q9iE1 LYS 323 HG3 -0.20 -0.11 -0.10 -0.04 1.46 1.01 2q9iE1 LYS 323 HD2 -0.15 0.05 -0.09 -0.04 1.69 1.45 2q9iE1 LYS 323 HD3 -0.13 0.02 -0.06 -0.04 1.68 1.47 2q9iE1 LYS 323 HE2 -0.05 -0.01 -0.05 -0.04 2.99 2.84 2q9iE1 LYS 323 HE3 -0.05 -0.02 -0.07 -0.04 2.99 2.80 2q9iE1 ALA 324 H -0.31 0.77 0.37 -0.55 8.40 8.68 2q9iE1 ALA 324 HA -0.11 0.09 0.78 -0.75 4.34 4.35 2q9iE1 ALA 324 HB3 0.06 -0.01 0.02 -0.04 1.41 1.44 2q9iE1 HIS 325 H -0.32 0.56 0.37 -0.55 8.41 8.47 2q9iE1 HIS 325 HA -0.09 0.23 1.04 -0.75 4.63 5.05 2q9iE1 HIS 325 HB2 -0.24 0.03 0.17 -0.04 3.26 3.19 2q9iE1 HIS 325 HB3 -0.22 0.00 0.08 -0.04 3.20 3.02 2q9iE1 HIS 325 HD2 0.09 -0.06 -0.15 -0.04 6.97 6.81 2q9iE1 HIS 325 HE1 0.25 0.05 -0.09 -0.04 7.75 7.91 2q9iE1 TYR 326 H 0.26 0.53 0.22 -0.55 8.29 8.75 2q9iE1 TYR 326 HA 0.11 0.20 0.70 -0.75 4.56 4.81 2q9iE1 TYR 326 HB2 0.03 -0.01 0.22 -0.04 3.06 3.25 2q9iE1 TYR 326 HB3 0.08 0.10 0.19 -0.04 2.98 3.30 2q9iE1 TYR 326 HD2 0.09 0.08 -0.19 -0.04 7.15 7.10 2q9iE1 TYR 326 HE2 0.26 -0.06 -0.11 -0.04 6.85 6.90 2q9iE1 GLY 327 H 0.03 0.60 0.21 -0.55 8.43 8.72 2q9iE1 GLY 327 HA2 0.05 -0.01 0.37 -0.51 4.01 3.92 2q9iE1 GLY 327 HA3 -0.22 0.01 0.36 -0.51 4.01 3.65 2q9iE1 GLY 328 H 0.07 0.24 -0.61 -0.55 8.43 7.57 2q9iE1 GLY 328 HA2 -0.06 0.32 0.97 -0.51 4.01 4.73 2q9iE1 GLY 328 HA3 -0.05 -0.11 0.21 -0.51 4.01 3.54 2q9iE1 PHE 329 H 0.12 0.64 0.37 -0.55 8.34 8.92 2q9iE1 PHE 329 HA -0.07 0.18 1.08 -0.75 4.62 5.05 2q9iE1 PHE 329 HB2 0.03 -0.04 -0.12 -0.04 3.15 2.98 2q9iE1 PHE 329 HB3 0.03 0.08 -0.15 -0.04 3.06 2.98 2q9iE1 PHE 329 HD2 -0.10 0.07 -0.05 -0.04 7.28 7.17 2q9iE1 PHE 329 HE2 -0.30 -0.02 -0.14 -0.04 7.38 6.88 2q9iE1 PHE 329 HZ -0.06 -0.03 -0.14 -0.04 7.32 7.05 2q9iE1 THR 330 H -0.25 0.52 0.32 -0.55 8.28 8.32 2q9iE1 THR 330 HA -0.46 0.09 0.71 -0.75 4.39 3.97 2q9iE1 THR 330 HB -0.12 -0.05 -0.11 -0.04 4.32 4.00 2q9iE1 THR 330 HG23 -0.10 -0.01 -0.29 -0.04 1.22 0.79 2q9iE1 VAL 331 H -0.37 0.24 0.07 -0.55 8.24 7.63 2q9iE1 VAL 331 HA -0.10 0.29 0.69 -0.75 4.13 4.26 2q9iE1 VAL 331 HB -0.12 -0.04 0.02 -0.04 2.12 1.94 2q9iE1 VAL 331 HG13 0.28 0.09 -0.14 -0.04 0.97 1.16 2q9iE1 VAL 331 HG23 -0.33 -0.02 -0.21 -0.04 0.95 0.34 2q9iE1 GLN 332 H 0.09 0.40 -0.11 -0.55 8.47 8.30 2q9iE1 GLN 332 HA 0.05 0.11 0.47 -0.75 4.36 4.23 2q9iE1 GLN 332 HB2 0.14 -0.12 0.05 -0.04 2.15 2.18 2q9iE1 GLN 332 HB3 0.07 -0.13 0.13 -0.04 2.02 2.05 2q9iE1 GLN 332 HG2 0.04 0.27 0.01 -0.04 2.40 2.68 2q9iE1 GLN 332 HG3 0.06 0.00 0.03 -0.04 2.39 2.44 2q9iE1 GLN 332 HE21 0.01 0.04 -0.04 -0.04 6.97 6.94 2q9iE1 GLN 332 HE22 0.04 -0.12 0.05 -0.04 7.69 7.61 2q9iE1 ASN 333 H 0.06 0.12 0.12 -0.55 8.53 8.28 2q9iE1 ASN 333 HA 0.16 0.22 0.46 -0.75 4.76 4.85 2q9iE1 ASN 333 HB2 0.03 -0.09 0.12 -0.04 2.88 2.91 2q9iE1 ASN 333 HB3 0.06 0.15 0.11 -0.04 2.79 3.06 2q9iE1 ASN 333 HD21 0.03 0.06 0.02 -0.04 7.03 7.10 2q9iE1 ASN 333 HD22 0.03 0.10 0.04 -0.04 7.74 7.87 2q9iE1 GLU 334 H -0.04 0.22 0.12 -0.55 8.60 8.36 2q9iE1 GLU 334 HA -1.06 0.08 0.29 -0.75 4.29 2.84 2q9iE1 GLU 334 HB2 0.01 0.04 0.09 -0.04 2.09 2.19 2q9iE1 GLU 334 HB3 0.02 -0.01 0.08 -0.04 1.99 2.05 2q9iE1 GLU 334 HG2 0.07 0.04 -0.24 -0.04 2.34 2.17 2q9iE1 GLU 334 HG3 0.38 0.02 0.03 -0.04 2.34 2.73 2q9iE1 ALA 335 H -0.04 0.04 -0.33 -0.55 8.40 7.53 2q9iE1 ALA 335 HA -0.04 0.11 0.42 -0.75 4.34 4.07 2q9iE1 ALA 335 HB3 -0.01 0.01 0.03 -0.04 1.41 1.40 2q9iE1 ASN 336 H -0.02 0.24 -0.33 -0.55 8.53 7.87 2q9iE1 ASN 336 HA 0.03 0.20 0.66 -0.75 4.76 4.90 2q9iE1 ASN 336 HB2 0.07 -0.08 0.07 -0.04 2.88 2.89 2q9iE1 ASN 336 HB3 0.14 0.02 0.17 -0.04 2.79 3.07 2q9iE1 ASN 336 HD21 0.03 0.05 -0.03 -0.04 7.03 7.05 2q9iE1 ASN 336 HD22 0.04 -0.15 0.03 -0.04 7.74 7.61 2q9iE1 LYS 337 H -0.06 0.44 -0.76 -0.55 8.42 7.49 2q9iE1 LYS 337 HA 0.11 0.06 0.27 -0.75 4.32 4.00 2q9iE1 LYS 337 HB2 0.09 0.11 -0.03 -0.04 1.87 2.00 2q9iE1 LYS 337 HB3 0.18 -0.02 0.17 -0.04 1.79 2.08 2q9iE1 LYS 337 HG2 -0.20 0.01 0.00 -0.04 1.46 1.23 2q9iE1 LYS 337 HG3 -0.23 0.02 -0.24 -0.04 1.46 0.97 2q9iE1 LYS 337 HD2 -1.83 0.02 -0.07 -0.04 1.69 -0.23 2q9iE1 LYS 337 HD3 -0.53 0.00 -0.00 -0.04 1.68 1.11 2q9iE1 LYS 337 HE2 -0.32 -0.02 -0.00 -0.04 2.99 2.60 2q9iE1 LYS 337 HE3 -0.40 0.02 -0.03 -0.04 2.99 2.54 2q9iE1 TYR 338 H -0.09 0.30 -0.67 -0.55 8.29 7.28 2q9iE1 TYR 338 HA 0.19 0.49 0.06 -0.75 4.56 4.54 2q9iE1 TYR 338 HB2 0.31 0.05 -0.07 -0.04 3.06 3.32 2q9iE1 TYR 338 HB3 0.26 -0.03 0.07 -0.04 2.98 3.24 2q9iE1 TYR 338 HD2 -0.01 0.24 -0.15 -0.04 7.15 7.19 2q9iE1 TYR 338 HE2 -0.35 -0.02 -0.13 -0.04 6.85 6.31 2q9iE1 GLN 339 H 0.30 0.19 -0.26 -0.55 8.47 8.16 2q9iE1 GLN 339 HA 0.32 0.26 0.50 -0.75 4.36 4.69 2q9iE1 GLN 339 HB2 0.37 0.16 0.10 -0.04 2.15 2.73 2q9iE1 GLN 339 HB3 0.12 -0.20 0.12 -0.04 2.02 2.02 2q9iE1 GLN 339 HG2 -0.08 -0.03 -0.26 -0.04 2.40 1.99 2q9iE1 GLN 339 HG3 -0.26 0.25 -0.19 -0.04 2.39 2.15 2q9iE1 GLN 339 HE21 -0.10 -0.15 0.02 -0.04 6.97 6.70 2q9iE1 GLN 339 HE22 -0.23 0.35 0.13 -0.04 7.69 7.90 2q9iE1 ILE 340 H -0.09 0.41 0.29 -0.55 8.25 8.31 2q9iE1 ILE 340 HA -0.36 0.19 0.65 -0.75 4.18 3.90 2q9iE1 ILE 340 HB -2.53 0.01 0.08 -0.04 1.89 -0.59 2q9iE1 ILE 340 HG12 -0.46 -0.10 -0.31 -0.04 1.49 0.58 2q9iE1 ILE 340 HG13 -0.50 0.01 -0.05 -0.04 1.21 0.63 2q9iE1 ILE 340 HG23 -0.51 -0.02 0.04 -0.04 0.93 0.39 2q9iE1 ILE 340 HD13 -1.44 -0.02 -0.10 -0.04 0.88 -0.73 2q9iE1 SER 341 H -0.24 0.53 0.37 -0.55 8.46 8.57 2q9iE1 SER 341 HA -0.11 0.02 0.90 -0.75 4.49 4.55 2q9iE1 SER 341 HB2 -0.08 0.08 -0.12 -0.04 3.95 3.79 2q9iE1 SER 341 HB3 -0.10 0.01 0.13 -0.04 3.93 3.92 2q9iE1 VAL 342 H -0.06 0.22 0.20 -0.55 8.24 8.05 2q9iE1 VAL 342 HA 0.07 0.46 0.97 -0.75 4.13 4.88 2q9iE1 VAL 342 HB -0.18 0.03 0.10 -0.04 2.12 2.03 2q9iE1 VAL 342 HG13 -0.19 -0.01 -0.12 -0.04 0.97 0.61 2q9iE1 VAL 342 HG23 -0.22 -0.05 -0.12 -0.04 0.95 0.53 2q9iE1 ASN 343 H 0.18 0.63 0.33 -0.55 8.53 9.12 2q9iE1 ASN 343 HA 0.16 0.05 0.47 -0.75 4.76 4.69 2q9iE1 ASN 343 HB2 0.04 -0.11 0.19 -0.04 2.88 2.96 2q9iE1 ASN 343 HB3 0.04 0.16 -0.10 -0.04 2.79 2.85 2q9iE1 ASN 343 HD21 -0.02 0.04 -0.16 -0.04 7.03 6.84 2q9iE1 ASN 343 HD22 0.00 0.04 -0.26 -0.04 7.74 7.48 2q9iE1 LYS 344 H 0.06 0.17 0.16 -0.55 8.42 8.25 2q9iE1 LYS 344 HA 0.02 0.08 0.39 -0.75 4.32 4.06 2q9iE1 LYS 344 HB2 -0.06 -0.04 0.07 -0.04 1.87 1.80 2q9iE1 LYS 344 HB3 -0.06 0.06 0.22 -0.04 1.79 1.97 2q9iE1 LYS 344 HG2 -0.04 0.04 0.03 -0.04 1.46 1.45 2q9iE1 LYS 344 HG3 -0.06 -0.04 -0.15 -0.04 1.46 1.16 2q9iE1 LYS 344 HD2 -0.42 -0.02 -0.19 -0.04 1.69 1.02 2q9iE1 LYS 344 HD3 -0.14 0.03 -0.02 -0.04 1.68 1.50 2q9iE1 LYS 344 HE2 -0.19 0.03 -0.05 -0.04 2.99 2.74 2q9iE1 LYS 344 HE3 -0.07 -0.01 -0.04 -0.04 2.99 2.83 2q9iE1 TYR 345 H 0.16 -0.02 -0.01 -0.55 8.29 7.87 2q9iE1 TYR 345 HA -0.39 0.52 0.70 -0.75 4.56 4.64 2q9iE1 TYR 345 HB2 -0.19 -0.04 0.06 -0.04 3.06 2.85 2q9iE1 TYR 345 HB3 -0.03 -0.04 0.09 -0.04 2.98 2.95 2q9iE1 TYR 345 HD2 -0.40 0.03 -0.11 -0.04 7.15 6.63 2q9iE1 TYR 345 HE2 0.02 0.05 -0.11 -0.04 6.85 6.76 2q9iE1 ARG 346 H -1.53 0.28 0.27 -0.55 8.46 6.93 2q9iE1 ARG 346 HA -0.64 0.02 0.41 -0.75 4.34 3.38 2q9iE1 ARG 346 HB2 -0.23 -0.02 0.14 -0.04 1.90 1.76 2q9iE1 ARG 346 HB3 -0.24 0.29 0.01 -0.04 1.80 1.82 2q9iE1 ARG 346 HG2 -0.26 0.01 -0.10 -0.04 1.67 1.28 2q9iE1 ARG 346 HG3 -0.24 -0.06 -0.18 -0.04 1.67 1.15 2q9iE1 ARG 346 HD2 -0.15 -0.00 -0.03 -0.04 3.22 2.99 2q9iE1 ARG 346 HD3 -0.17 0.04 -0.06 -0.04 3.22 2.99 2q9iE1 GLY 347 H -0.31 0.29 0.22 -0.55 8.43 8.08 2q9iE1 GLY 347 HA2 -0.19 0.03 0.30 -0.51 4.01 3.64 2q9iE1 GLY 347 HA3 -0.26 0.10 0.71 -0.51 4.01 4.05 2q9iE1 THR 348 H -0.18 0.24 0.39 -0.55 8.28 8.18 2q9iE1 THR 348 HA -0.04 0.23 1.02 -0.75 4.39 4.84 2q9iE1 THR 348 HB -0.18 0.05 0.17 -0.04 4.32 4.32 2q9iE1 THR 348 HG23 -0.09 0.01 -0.03 -0.04 1.22 1.07 2q9iE1 ALA 349 H -0.22 0.51 0.31 -0.55 8.40 8.45 2q9iE1 ALA 349 HA -0.31 0.09 0.57 -0.75 4.34 3.94 2q9iE1 ALA 349 HB3 -0.69 -0.02 -0.13 -0.04 1.41 0.52 2q9iE1 GLY 350 H 0.54 0.06 -0.15 -0.55 8.43 8.33 2q9iE1 GLY 350 HA2 0.22 0.17 0.32 -0.51 4.01 4.22 2q9iE1 GLY 350 HA3 0.29 -0.00 0.27 -0.51 4.01 4.06 2q9iE1 ASN 351 H -0.10 0.23 0.03 -0.55 8.53 8.15 2q9iE1 ASN 351 HA -0.30 0.14 0.55 -0.75 4.76 4.40 2q9iE1 ASN 351 HB2 -1.45 0.10 0.07 -0.04 2.88 1.56 2q9iE1 ASN 351 HB3 -0.35 0.06 0.17 -0.04 2.79 2.64 2q9iE1 ASN 351 HD21 -0.01 0.01 0.00 -0.04 7.03 6.99 2q9iE1 ASN 351 HD22 -0.29 0.10 0.00 -0.04 7.74 7.51 2q9iE1 ALA 352 H 0.16 0.59 -0.42 -0.55 8.40 8.19 2q9iE1 ALA 352 HA -0.15 0.10 0.16 -0.75 4.34 3.70 2q9iE1 ALA 352 HB3 -0.96 -0.02 -0.16 -0.04 1.41 0.23 2q9iE1 LEU 353 H 0.13 0.13 -0.20 -0.55 8.37 7.88 2q9iE1 LEU 353 HA 0.15 0.09 0.43 -0.75 4.35 4.26 2q9iE1 LEU 353 HB2 -0.02 -0.02 0.02 -0.04 1.64 1.58 2q9iE1 LEU 353 HB3 -0.18 0.07 -0.06 -0.04 1.64 1.42 2q9iE1 LEU 353 HG 0.33 -0.04 -0.01 -0.04 1.64 1.88 2q9iE1 LEU 353 HD13 -0.38 0.03 -0.07 -0.04 0.93 0.47 2q9iE1 LEU 353 HD23 0.10 -0.01 -0.09 -0.04 0.89 0.85 2q9iE1 MET 354 H 0.12 0.05 -0.18 -0.55 8.47 7.91 2q9iE1 MET 354 HA 0.01 0.15 0.74 -0.75 4.52 4.67 2q9iE1 MET 354 HB2 0.08 -0.05 0.05 -0.04 2.15 2.19 2q9iE1 MET 354 HB3 0.05 0.07 0.02 -0.04 2.03 2.12 2q9iE1 MET 354 HG2 0.09 0.15 -0.02 -0.04 2.63 2.81 2q9iE1 MET 354 HG3 0.20 -0.12 -0.15 -0.04 2.56 2.45 2q9iE1 MET 354 HE3 0.10 0.02 0.05 -0.04 2.10 2.23 2q9iE1 ASP 355 H -0.03 0.33 -0.04 -0.55 8.40 8.11 2q9iE1 ASP 355 HA -0.04 0.24 1.00 -0.75 4.63 5.08 2q9iE1 ASP 355 HB2 -0.07 0.06 0.04 -0.04 2.71 2.70 2q9iE1 ASP 355 HB3 -0.04 0.02 -0.06 -0.04 2.70 2.57 2q9iE1 GLY 356 H -0.06 0.10 -0.02 -0.55 8.43 7.90 2q9iE1 GLY 356 HA2 -0.10 0.18 0.13 -0.51 4.01 3.71 2q9iE1 GLY 356 HA3 -0.08 0.30 0.40 -0.51 4.01 4.12 2q9iE1 ALA 357 H -0.10 0.21 0.09 -0.55 8.40 8.05 2q9iE1 ALA 357 HA -0.07 -0.11 0.36 -0.75 4.34 3.76 2q9iE1 ALA 357 HB3 -0.09 0.00 0.13 -0.04 1.41 1.40 2q9iE1 SER 358 H -0.01 0.04 0.14 -0.55 8.46 8.09 2q9iE1 SER 358 HA -0.01 0.17 0.32 -0.75 4.49 4.22 2q9iE1 SER 358 HB2 0.02 0.06 0.02 -0.04 3.95 4.01 2q9iE1 SER 358 HB3 0.02 -0.01 0.10 -0.04 3.93 4.01 2q9iE1 GLN 359 H -0.01 -0.09 -0.32 -0.55 8.47 7.50 2q9iE1 GLN 359 HA -0.00 0.07 0.34 -0.75 4.36 4.01 2q9iE1 GLN 359 HB2 -0.03 -0.11 -0.00 -0.04 2.15 1.97 2q9iE1 GLN 359 HB3 -0.01 0.03 -0.08 -0.04 2.02 1.92 2q9iE1 GLN 359 HG2 -0.00 -0.07 0.00 -0.04 2.40 2.30 2q9iE1 GLN 359 HG3 0.01 0.07 0.00 -0.04 2.39 2.43 2q9iE1 GLN 359 HE21 0.04 0.08 -0.09 -0.04 6.97 6.95 2q9iE1 GLN 359 HE22 0.02 0.06 -0.07 -0.04 7.69 7.66 2q9iE1 LEU 360 H -0.04 0.03 -0.36 -0.55 8.37 7.45 2q9iE1 LEU 360 HA -0.03 0.03 0.40 -0.75 4.35 3.99 2q9iE1 LEU 360 HB2 -0.06 0.17 -0.06 -0.04 1.64 1.65 2q9iE1 LEU 360 HB3 -0.06 -0.09 -0.19 -0.04 1.64 1.27 2q9iE1 LEU 360 HG -0.07 -0.16 -0.04 -0.04 1.64 1.33 2q9iE1 LEU 360 HD13 -0.11 0.03 -0.05 -0.04 0.93 0.76 2q9iE1 LEU 360 HD23 -0.05 0.00 -0.06 -0.04 0.89 0.74 2q9iE1 MET 361 H -0.03 0.08 0.14 -0.55 8.47 8.11 2q9iE1 MET 361 HA -0.02 0.29 0.81 -0.75 4.52 4.84 2q9iE1 MET 361 HB2 -0.02 -0.05 0.01 -0.04 2.15 2.05 2q9iE1 MET 361 HB3 -0.02 -0.08 0.16 -0.04 2.03 2.05 2q9iE1 MET 361 HG2 -0.02 0.06 -0.41 -0.04 2.63 2.22 2q9iE1 MET 361 HG3 -0.01 -0.03 -0.04 -0.04 2.56 2.44 2q9iE1 MET 361 HE3 -0.01 -0.02 0.00 -0.04 2.10 2.04 2q9iE1 GLY 362 H -0.02 0.19 0.15 -0.55 8.43 8.20 2q9iE1 GLY 362 HA2 -0.02 0.11 0.36 -0.51 4.01 3.95 2q9iE1 GLY 362 HA3 -0.02 0.01 0.42 -0.51 4.01 3.91 2q9iE1 GLU 363 H -0.02 0.16 0.21 -0.55 8.60 8.40 2q9iE1 GLU 363 HA -0.03 0.11 0.53 -0.75 4.29 4.15 2q9iE1 GLU 363 HB2 -0.02 0.07 0.09 -0.04 2.09 2.18 2q9iE1 GLU 363 HB3 -0.02 0.01 0.11 -0.04 1.99 2.05 2q9iE1 GLU 363 HG2 -0.03 -0.04 -0.04 -0.04 2.34 2.19 2q9iE1 GLU 363 HG3 -0.02 0.07 -0.08 -0.04 2.34 2.26 2q9iE1 ASN 364 H -0.04 0.16 -0.07 -0.55 8.53 8.03 2q9iE1 ASN 364 HA -0.07 0.07 0.36 -0.75 4.76 4.37 2q9iE1 ASN 364 HB2 -0.04 0.28 0.21 -0.04 2.88 3.28 2q9iE1 ASN 364 HB3 -0.06 -0.05 -0.00 -0.04 2.79 2.64 2q9iE1 ASN 364 HD21 -0.04 0.01 0.01 -0.04 7.03 6.98 2q9iE1 ASN 364 HD22 -0.04 -0.05 0.03 -0.04 7.74 7.64 2q9iE1 ARG 365 H -0.05 0.38 -0.53 -0.55 8.46 7.71 2q9iE1 ARG 365 HA -0.07 -0.01 0.29 -0.75 4.34 3.79 2q9iE1 ARG 365 HB2 -0.04 0.08 -0.44 -0.04 1.90 1.45 2q9iE1 ARG 365 HB3 -0.04 0.08 -0.15 -0.04 1.80 1.66 2q9iE1 ARG 365 HG2 -0.04 -0.05 -0.18 -0.04 1.67 1.36 2q9iE1 ARG 365 HG3 -0.05 0.05 -0.47 -0.04 1.67 1.16 2q9iE1 ARG 365 HD2 -0.04 -0.01 -0.47 -0.04 3.22 2.67 2q9iE1 ARG 365 HD3 -0.05 0.07 -0.56 -0.04 3.22 2.64 2q9iE1 THR 366 H -0.04 0.23 -0.11 -0.55 8.28 7.80 2q9iE1 THR 366 HA -0.06 0.13 0.25 -0.75 4.39 3.96 2q9iE1 THR 366 HB -0.04 0.02 0.06 -0.04 4.32 4.32 2q9iE1 THR 366 HG23 -0.03 0.02 0.03 -0.04 1.22 1.19 2q9iE1 MET 367 H -0.07 0.37 -0.74 -0.55 8.47 7.49 2q9iE1 MET 367 HA -0.06 0.14 0.60 -0.75 4.52 4.44 2q9iE1 MET 367 HB2 -0.07 -0.06 0.14 -0.04 2.15 2.12 2q9iE1 MET 367 HB3 -0.06 -0.01 0.05 -0.04 2.03 1.97 2q9iE1 MET 367 HG2 -0.09 0.15 0.09 -0.04 2.63 2.74 2q9iE1 MET 367 HG3 -0.12 0.00 -0.19 -0.04 2.56 2.20 2q9iE1 MET 367 HE3 -0.06 0.01 -0.16 -0.04 2.10 1.85 2q9iE1 THR 368 H -0.11 0.69 -0.42 -0.55 8.28 7.89 2q9iE1 THR 368 HA -0.15 -0.01 0.50 -0.75 4.39 3.98 2q9iE1 THR 368 HB -0.14 -0.02 -0.27 -0.04 4.32 3.84 2q9iE1 THR 368 HG23 -0.14 0.02 -0.02 -0.04 1.22 1.04 2q9iE1 ILE 369 H -0.15 0.32 -0.40 -0.55 8.25 7.48 2q9iE1 ILE 369 HA -0.16 0.02 0.43 -0.75 4.18 3.73 2q9iE1 ILE 369 HB -0.09 0.14 0.05 -0.04 1.89 1.94 2q9iE1 ILE 369 HG12 -0.07 -0.19 -0.79 -0.04 1.49 0.40 2q9iE1 ILE 369 HG13 -0.08 -0.06 -0.21 -0.04 1.21 0.82 2q9iE1 ILE 369 HG23 -0.06 -0.00 -0.13 -0.04 0.93 0.70 2q9iE1 ILE 369 HD13 -0.04 0.04 0.00 -0.04 0.88 0.83 2q9iE1 HIS 370 H -0.03 0.38 0.32 -0.55 8.41 8.53 2q9iE1 HIS 370 HA 0.01 0.25 0.81 -0.75 4.63 4.95 2q9iE1 HIS 370 HB2 -0.03 -0.12 0.14 -0.04 3.26 3.22 2q9iE1 HIS 370 HB3 -0.06 -0.01 0.09 -0.04 3.20 3.18 2q9iE1 HIS 370 HD2 0.01 0.01 -0.07 -0.04 6.97 6.87 2q9iE1 HIS 370 HE1 0.50 0.04 0.19 -0.04 7.75 8.43 2q9iE1 ASN 371 H -0.02 0.39 0.18 -0.55 8.53 8.53 2q9iE1 ASN 371 HA -0.13 -0.06 0.38 -0.75 4.76 4.19 2q9iE1 ASN 371 HB2 -0.04 -0.09 0.05 -0.04 2.88 2.77 2q9iE1 ASN 371 HB3 -0.04 0.05 0.15 -0.04 2.79 2.91 2q9iE1 ASN 371 HD21 -0.02 0.01 0.07 -0.04 7.03 7.06 2q9iE1 ASN 371 HD22 -0.01 -0.00 0.06 -0.04 7.74 7.74 2q9iE1 GLY 372 H -0.15 0.45 0.33 -0.55 8.43 8.51 2q9iE1 GLY 372 HA2 -0.13 0.04 0.43 -0.51 4.01 3.84 2q9iE1 GLY 372 HA3 -0.12 0.00 0.52 -0.51 4.01 3.91 2q9iE1 MET 373 H -0.09 0.46 -0.34 -0.55 8.47 7.96 2q9iE1 MET 373 HA -0.19 0.04 0.45 -0.75 4.52 4.06 2q9iE1 MET 373 HB2 0.14 -0.01 0.01 -0.04 2.15 2.25 2q9iE1 MET 373 HB3 0.15 0.07 -0.00 -0.04 2.03 2.21 2q9iE1 MET 373 HG2 -0.01 0.04 -0.13 -0.04 2.63 2.48 2q9iE1 MET 373 HG3 0.07 -0.06 -0.23 -0.04 2.56 2.31 2q9iE1 MET 373 HE3 0.08 0.06 0.21 -0.04 2.10 2.42 2q9iE1 PHE 374 H 0.18 0.21 0.20 -0.55 8.34 8.37 2q9iE1 PHE 374 HA 0.34 0.19 0.73 -0.75 4.62 5.13 2q9iE1 PHE 374 HB2 0.17 0.20 0.12 -0.04 3.15 3.59 2q9iE1 PHE 374 HB3 0.23 -0.00 0.08 -0.04 3.06 3.33 2q9iE1 PHE 374 HD2 0.14 0.11 0.02 -0.04 7.28 7.51 2q9iE1 PHE 374 HE2 0.06 -0.03 -0.03 -0.04 7.38 7.34 2q9iE1 PHE 374 HZ 0.05 -0.06 -0.02 -0.04 7.32 7.24 2q9iE1 PHE 375 H 0.68 0.63 0.18 -0.55 8.34 9.28 2q9iE1 PHE 375 HA -0.27 0.05 0.55 -0.75 4.62 4.19 2q9iE1 PHE 375 HB2 0.03 0.16 0.03 -0.04 3.15 3.33 2q9iE1 PHE 375 HB3 0.25 -0.05 -0.03 -0.04 3.06 3.19 2q9iE1 PHE 375 HD2 -1.67 -0.00 -0.25 -0.04 7.28 5.32 2q9iE1 PHE 375 HE2 -1.21 -0.03 -0.16 -0.04 7.38 5.94 2q9iE1 PHE 375 HZ -1.62 0.06 -0.25 -0.04 7.32 5.46 2q9iE1 SER 376 H -0.61 0.53 0.36 -0.55 8.46 8.19 2q9iE1 SER 376 HA 0.25 0.30 1.05 -0.75 4.49 5.33 2q9iE1 SER 376 HB2 0.23 -0.09 0.11 -0.04 3.95 4.16 2q9iE1 SER 376 HB3 0.14 -0.01 0.23 -0.04 3.93 4.25 2q9iE1 THR 377 H 0.22 0.47 0.28 -0.55 8.28 8.71 2q9iE1 THR 377 HA -0.04 0.22 0.65 -0.75 4.39 4.47 2q9iE1 THR 377 HB 0.04 0.12 -0.04 -0.04 4.32 4.40 2q9iE1 THR 377 HG23 0.12 0.02 -0.25 -0.04 1.22 1.07 2q9iE1 TYR 378 H 0.04 0.31 -0.09 -0.55 8.29 8.01 2q9iE1 TYR 378 HA 0.05 0.01 0.19 -0.75 4.56 4.06 2q9iE1 TYR 378 HB2 0.04 0.04 0.02 -0.04 3.06 3.13 2q9iE1 TYR 378 HB3 0.07 0.12 -0.19 -0.04 2.98 2.93 2q9iE1 TYR 378 HD2 0.06 0.06 -0.35 -0.04 7.15 6.88 2q9iE1 TYR 378 HE2 0.04 0.10 -0.17 -0.04 6.85 6.78 2q9iE1 ASP 379 H -0.15 -0.03 -0.52 -0.55 8.40 7.16 2q9iE1 ASP 379 HA 0.09 0.30 0.86 -0.75 4.63 5.12 2q9iE1 ASP 379 HB2 0.02 0.08 0.17 -0.04 2.71 2.93 2q9iE1 ASP 379 HB3 -0.08 0.03 -0.04 -0.04 2.70 2.56 2q9iE1 ARG 380 H 0.05 0.51 -0.33 -0.55 8.46 8.14 2q9iE1 ARG 380 HA -0.10 0.14 0.59 -0.75 4.34 4.21 2q9iE1 ARG 380 HB2 -0.12 -0.02 -0.21 -0.04 1.90 1.51 2q9iE1 ARG 380 HB3 0.20 -0.17 0.14 -0.04 1.80 1.93 2q9iE1 ARG 380 HG2 -1.57 -0.02 -0.01 -0.04 1.67 0.03 2q9iE1 ARG 380 HG3 -0.39 0.10 -0.19 -0.04 1.67 1.15 2q9iE1 ARG 380 HD2 -0.55 0.04 0.00 -0.04 3.22 2.67 2q9iE1 ARG 380 HD3 -0.30 0.04 0.10 -0.04 3.22 3.03 2q9iE1 ASP 381 H -0.04 0.18 0.05 -0.55 8.40 8.05 2q9iE1 ASP 381 HA 0.06 -0.06 0.59 -0.75 4.63 4.46 2q9iE1 ASP 381 HB2 -0.01 0.02 0.06 -0.04 2.71 2.74 2q9iE1 ASP 381 HB3 -0.03 0.05 0.14 -0.04 2.70 2.82 2q9iE1 ASN 382 H 0.13 -0.08 0.27 -0.55 8.53 8.30 2q9iE1 ASN 382 HA 0.07 0.18 0.63 -0.75 4.76 4.88 2q9iE1 ASN 382 HB2 0.20 0.06 -0.25 -0.04 2.88 2.85 2q9iE1 ASN 382 HB3 0.25 -0.03 0.02 -0.04 2.79 2.99 2q9iE1 ASN 382 HD21 -0.30 -0.08 -0.11 -0.04 7.03 6.50 2q9iE1 ASN 382 HD22 0.06 0.15 -0.10 -0.04 7.74 7.82 2q9iE1 ASP 383 H 0.17 -0.19 0.19 -0.55 8.40 8.02 2q9iE1 ASP 383 HA 0.25 0.46 0.62 -0.75 4.63 5.21 2q9iE1 ASP 383 HB2 0.27 0.37 0.04 -0.04 2.71 3.35 2q9iE1 ASP 383 HB3 0.28 -0.11 0.12 -0.04 2.70 2.95 2q9iE1 GLY 384 H 0.19 0.34 0.26 -0.55 8.43 8.67 2q9iE1 GLY 384 HA2 0.16 0.09 0.46 -0.51 4.01 4.21 2q9iE1 GLY 384 HA3 0.12 0.01 0.36 -0.51 4.01 4.00 2q9iE1 TRP 385 H 0.31 0.14 -0.95 -0.55 7.97 6.93 2q9iE1 TRP 385 HA 0.02 0.16 0.74 -0.75 4.62 4.79 2q9iE1 TRP 385 HB2 0.03 -0.02 0.05 -0.04 3.23 3.24 2q9iE1 TRP 385 HB3 0.02 -0.06 0.14 -0.04 3.23 3.29 2q9iE1 TRP 385 HD1 0.01 0.09 -0.19 -0.04 7.22 7.09 2q9iE1 TRP 385 HE1 0.00 -0.02 -0.10 -0.04 10.20 10.05 2q9iE1 TRP 385 HE3 -0.02 -0.20 -0.29 -0.04 7.59 7.04 2q9iE1 TRP 385 HZ2 -0.00 -0.00 -0.08 -0.04 7.44 7.31 2q9iE1 TRP 385 HZ3 -0.04 0.04 -0.35 -0.04 7.13 6.75 2q9iE1 TRP 385 HH2 -0.01 0.02 -0.11 -0.04 7.19 7.05 2q9iE1 LEU 386 H 0.21 0.28 -0.26 -0.55 8.37 8.06 2q9iE1 LEU 386 HA 0.03 0.06 0.38 -0.75 4.35 4.07 2q9iE1 LEU 386 HB2 0.09 -0.03 0.14 -0.04 1.64 1.80 2q9iE1 LEU 386 HB3 0.04 -0.01 0.00 -0.04 1.64 1.64 2q9iE1 LEU 386 HG 0.13 0.08 -0.09 -0.04 1.64 1.71 2q9iE1 LEU 386 HD13 0.07 -0.01 0.00 -0.04 0.93 0.95 2q9iE1 LEU 386 HD23 0.08 0.01 -0.08 -0.04 0.89 0.86 2q9iE1 THR 387 H -0.13 0.38 0.33 -0.55 8.28 8.31 2q9iE1 THR 387 HA -0.10 0.07 0.70 -0.75 4.39 4.31 2q9iE1 THR 387 HB -0.42 0.06 -0.16 -0.04 4.32 3.76 2q9iE1 THR 387 HG23 -0.68 0.07 0.04 -0.04 1.22 0.61 2q9iE1 SER 388 H -0.09 0.12 0.15 -0.55 8.46 8.09 2q9iE1 SER 388 HA -0.08 0.18 0.59 -0.75 4.49 4.43 2q9iE1 SER 388 HB2 -0.05 0.02 0.06 -0.04 3.95 3.94 2q9iE1 SER 388 HB3 -0.05 0.03 0.06 -0.04 3.93 3.93 2q9iE1 ASP 389 H -0.16 -0.01 -0.09 -0.55 8.40 7.59 2q9iE1 ASP 389 HA -0.10 0.13 0.47 -0.75 4.63 4.38 2q9iE1 ASP 389 HB2 -0.12 0.03 0.11 -0.04 2.71 2.70 2q9iE1 ASP 389 HB3 -0.25 0.04 0.13 -0.04 2.70 2.57 2q9iE1 PRO 390 HA -0.10 0.14 0.39 -0.51 4.44 4.37 2q9iE1 PRO 390 HB2 -0.04 0.02 0.02 -0.04 2.28 2.24 2q9iE1 PRO 390 HB3 -0.05 0.06 0.11 -0.04 2.02 2.10 2q9iE1 PRO 390 HG2 -0.05 -0.01 0.02 -0.04 2.03 1.95 2q9iE1 PRO 390 HG3 -0.04 0.05 0.07 -0.04 2.03 2.07 2q9iE1 PRO 390 HD2 -0.07 -0.01 0.26 -0.04 3.68 3.83 2q9iE1 PRO 390 HD3 -0.06 0.31 0.28 -0.04 3.65 4.14 2q9iE1 ARG 391 H -0.11 -0.01 -0.37 -0.55 8.46 7.42 2q9iE1 ARG 391 HA -0.08 0.17 0.58 -0.75 4.34 4.25 2q9iE1 ARG 391 HB2 -0.08 -0.05 -0.01 -0.04 1.90 1.72 2q9iE1 ARG 391 HB3 -0.06 0.03 -0.03 -0.04 1.80 1.70 2q9iE1 ARG 391 HG2 -0.03 0.05 -0.03 -0.04 1.67 1.62 2q9iE1 ARG 391 HG3 -0.05 -0.05 -0.05 -0.04 1.67 1.48 2q9iE1 ARG 391 HD2 -0.02 -0.02 -0.01 -0.04 3.22 3.13 2q9iE1 ARG 391 HD3 -0.02 0.01 -0.03 -0.04 3.22 3.14 2q9iE1 LYS 392 H -0.28 0.07 -0.31 -0.55 8.42 7.35 2q9iE1 LYS 392 HA -0.37 0.13 0.68 -0.75 4.32 4.01 2q9iE1 LYS 392 HB2 -0.70 -0.00 0.13 -0.04 1.87 1.25 2q9iE1 LYS 392 HB3 -1.90 0.02 0.02 -0.04 1.79 -0.12 2q9iE1 LYS 392 HG2 -0.03 0.06 -0.11 -0.04 1.46 1.34 2q9iE1 LYS 392 HG3 -0.17 -0.11 -0.10 -0.04 1.46 1.03 2q9iE1 LYS 392 HD2 -0.13 -0.05 0.00 -0.04 1.69 1.47 2q9iE1 LYS 392 HD3 0.09 0.03 -0.03 -0.04 1.68 1.73 2q9iE1 LYS 392 HE2 0.12 0.03 -0.05 -0.04 2.99 3.05 2q9iE1 LYS 392 HE3 0.01 -0.02 -0.04 -0.04 2.99 2.89 2q9iE1 GLN 393 H -0.12 0.49 0.03 -0.55 8.47 8.33 2q9iE1 GLN 393 HA -0.04 0.17 0.69 -0.75 4.36 4.42 2q9iE1 GLN 393 HB2 -0.02 -0.07 -0.10 -0.04 2.15 1.93 2q9iE1 GLN 393 HB3 0.01 -0.11 -0.02 -0.04 2.02 1.86 2q9iE1 GLN 393 HG2 -0.16 0.19 -0.32 -0.04 2.40 2.06 2q9iE1 GLN 393 HG3 -0.14 0.04 -0.64 -0.04 2.39 1.61 2q9iE1 GLN 393 HE21 -0.04 -0.05 -0.03 -0.04 6.97 6.81 2q9iE1 GLN 393 HE22 -0.08 0.09 -0.07 -0.04 7.69 7.60 2q9iE1 CYS 394 H 0.27 0.18 0.06 -0.55 8.50 8.47 2q9iE1 CYS 394 HA 0.08 0.08 0.34 -0.75 4.58 4.32 2q9iE1 CYS 394 HB2 -0.11 -0.05 0.11 -0.04 2.97 2.87 2q9iE1 CYS 394 HB3 -0.66 0.05 -0.08 -0.04 2.97 2.23 2q9iE1 SER 395 H -0.11 0.08 -0.13 -0.55 8.46 7.75 2q9iE1 SER 395 HA -0.12 0.18 0.11 -0.75 4.49 3.91 2q9iE1 SER 395 HB2 0.20 0.04 -0.30 -0.04 3.95 3.84 2q9iE1 SER 395 HB3 0.11 -0.04 -0.44 -0.04 3.93 3.52 2q9iE1 LYS 396 H 0.05 0.04 -0.44 -0.55 8.42 7.51 2q9iE1 LYS 396 HA 0.10 -0.00 0.26 -0.75 4.32 3.93 2q9iE1 LYS 396 HB2 -0.02 0.05 0.03 -0.04 1.87 1.88 2q9iE1 LYS 396 HB3 -0.09 0.05 -0.05 -0.04 1.79 1.65 2q9iE1 LYS 396 HG2 0.11 -0.04 0.06 -0.04 1.46 1.55 2q9iE1 LYS 396 HG3 0.09 -0.09 0.02 -0.04 1.46 1.44 2q9iE1 LYS 396 HD2 -0.03 0.10 0.03 -0.04 1.69 1.74 2q9iE1 LYS 396 HD3 -0.04 -0.04 0.03 -0.04 1.68 1.59 2q9iE1 LYS 396 HE2 0.08 -0.06 0.05 -0.04 2.99 3.02 2q9iE1 LYS 396 HE3 0.06 0.02 0.07 -0.04 2.99 3.10 2q9iE1 GLU 397 H -0.01 0.32 -0.22 -0.55 8.60 8.13 2q9iE1 GLU 397 HA -0.10 0.07 0.57 -0.75 4.29 4.07 2q9iE1 GLU 397 HB2 0.09 0.09 0.16 -0.04 2.09 2.38 2q9iE1 GLU 397 HB3 0.11 -0.11 -0.09 -0.04 1.99 1.85 2q9iE1 GLU 397 HG2 -0.05 -0.02 0.04 -0.04 2.34 2.26 2q9iE1 GLU 397 HG3 -0.09 0.09 0.05 -0.04 2.34 2.34 2q9iE1 ASP 398 H -0.06 0.75 0.02 -0.55 8.40 8.56 2q9iE1 ASP 398 HA 0.10 0.02 0.45 -0.75 4.63 4.44 2q9iE1 ASP 398 HB2 -0.31 0.03 -0.12 -0.04 2.71 2.27 2q9iE1 ASP 398 HB3 -0.07 0.01 0.05 -0.04 2.70 2.65 2q9iE1 GLY 399 H 0.12 0.33 -0.54 -0.55 8.43 7.80 2q9iE1 GLY 399 HA2 0.13 -0.07 0.27 -0.51 4.01 3.83 2q9iE1 GLY 399 HA3 0.11 0.20 1.02 -0.51 4.01 4.84 2q9iE1 GLY 400 H 0.19 0.20 -0.12 -0.55 8.43 8.16 2q9iE1 GLY 400 HA2 0.23 0.01 0.62 -0.51 4.01 4.36 2q9iE1 GLY 400 HA3 0.24 0.28 0.42 -0.51 4.01 4.44 2q9iE1 GLY 401 H 0.06 0.18 0.27 -0.55 8.43 8.39 2q9iE1 GLY 401 HA2 -0.53 0.38 0.70 -0.51 4.01 4.04 2q9iE1 GLY 401 HA3 -1.44 -0.05 0.36 -0.51 4.01 2.37 2q9iE1 TRP 402 H -1.30 0.47 0.40 -0.55 7.97 6.99 2q9iE1 TRP 402 HA -0.90 0.03 0.41 -0.75 4.62 3.41 2q9iE1 TRP 402 HB2 -0.62 0.28 -0.30 -0.04 3.23 2.55 2q9iE1 TRP 402 HB3 -1.72 -0.02 -0.25 -0.04 3.23 1.21 2q9iE1 TRP 402 HD1 -0.65 -0.00 -0.25 -0.04 7.22 6.27 2q9iE1 TRP 402 HE1 -0.92 -0.00 -0.03 -0.04 10.20 9.20 2q9iE1 TRP 402 HE3 -0.24 0.15 0.05 -0.04 7.59 7.51 2q9iE1 TRP 402 HZ2 -0.04 -0.06 -0.08 -0.04 7.44 7.22 2q9iE1 TRP 402 HZ3 0.60 0.02 -0.07 -0.04 7.13 7.64 2q9iE1 TRP 402 HH2 0.36 -0.01 -0.07 -0.04 7.19 7.43 2q9iE1 TRP 403 H -1.64 0.13 0.05 -0.55 7.97 5.97 2q9iE1 TRP 403 HA -0.18 0.38 0.55 -0.75 4.62 4.61 2q9iE1 TRP 403 HB2 -0.74 -0.11 0.17 -0.04 3.23 2.50 2q9iE1 TRP 403 HB3 -0.18 0.13 0.01 -0.04 3.23 3.15 2q9iE1 TRP 403 HD1 0.14 0.08 -0.43 -0.04 7.22 6.97 2q9iE1 TRP 403 HE1 0.17 0.50 0.11 -0.04 10.20 10.94 2q9iE1 TRP 403 HE3 -2.16 -0.05 0.01 -0.04 7.59 5.35 2q9iE1 TRP 403 HZ2 0.01 0.02 -0.07 -0.04 7.44 7.36 2q9iE1 TRP 403 HZ3 -0.20 -0.03 -0.06 -0.04 7.13 6.79 2q9iE1 TRP 403 HH2 0.33 -0.01 -0.09 -0.04 7.19 7.37 2q9iE1 TYR 404 H -0.02 0.34 0.20 -0.55 8.29 8.25 2q9iE1 TYR 404 HA 0.37 0.14 0.54 -0.75 4.56 4.85 2q9iE1 TYR 404 HB2 0.12 -0.07 0.15 -0.04 3.06 3.22 2q9iE1 TYR 404 HB3 0.19 -0.05 -0.03 -0.04 2.98 3.05 2q9iE1 TYR 404 HD2 0.18 0.06 -0.07 -0.04 7.15 7.27 2q9iE1 TYR 404 HE2 -0.04 0.21 -0.09 -0.04 6.85 6.89 2q9iE1 ASN 405 H 0.28 0.59 0.20 -0.55 8.53 9.05 2q9iE1 ASN 405 HA 0.11 0.08 0.84 -0.75 4.76 5.04 2q9iE1 ASN 405 HB2 -0.08 0.27 -0.00 -0.04 2.88 3.02 2q9iE1 ASN 405 HB3 -0.05 -0.16 0.10 -0.04 2.79 2.63 2q9iE1 ASN 405 HD21 -0.05 -0.08 0.02 -0.04 7.03 6.88 2q9iE1 ASN 405 HD22 -0.09 0.80 0.09 -0.04 7.74 8.50 2q9iE1 ARG 406 H -0.02 0.52 0.08 -0.55 8.46 8.49 2q9iE1 ARG 406 HA -0.06 -0.05 0.47 -0.75 4.34 3.94 2q9iE1 ARG 406 HB2 0.04 0.09 -0.47 -0.04 1.90 1.52 2q9iE1 ARG 406 HB3 -0.08 0.06 0.05 -0.04 1.80 1.80 2q9iE1 ARG 406 HG2 -0.44 -0.03 0.06 -0.04 1.67 1.22 2q9iE1 ARG 406 HG3 -0.82 -0.07 -0.02 -0.04 1.67 0.73 2q9iE1 ARG 406 HD2 0.13 0.02 0.10 -0.04 3.22 3.43 2q9iE1 ARG 406 HD3 -0.05 0.02 0.04 -0.04 3.22 3.19 2q9iE1 CYS 407 H -0.14 0.02 0.12 -0.55 8.50 7.95 2q9iE1 CYS 407 HA 0.07 0.05 0.11 -0.75 4.58 4.06 2q9iE1 CYS 407 HB2 -0.01 0.04 0.07 -0.04 2.97 3.03 2q9iE1 CYS 407 HB3 0.12 0.03 -0.11 -0.04 2.97 2.97 2q9iE1 HIS 408 H -0.05 0.17 0.21 -0.55 8.41 8.19 2q9iE1 HIS 408 HA 0.16 0.24 0.60 -0.75 4.63 4.87 2q9iE1 HIS 408 HB2 0.49 0.15 0.17 -0.04 3.26 4.03 2q9iE1 HIS 408 HB3 0.61 0.04 -0.35 -0.04 3.20 3.46 2q9iE1 HIS 408 HD2 0.09 -0.12 -0.14 -0.04 6.97 6.76 2q9iE1 HIS 408 HE1 -0.06 -0.02 -0.15 -0.04 7.75 7.47 2q9iE1 ALA 409 H 0.82 -0.06 0.27 -0.55 8.40 8.88 2q9iE1 ALA 409 HA -0.15 0.06 0.76 -0.75 4.34 4.26 2q9iE1 ALA 409 HB3 -0.08 0.02 0.04 -0.04 1.41 1.36 2q9iE1 ALA 410 H 0.34 0.08 0.25 -0.55 8.40 8.51 2q9iE1 ALA 410 HA -0.12 0.13 0.66 -0.75 4.34 4.24 2q9iE1 ALA 410 HB3 -0.69 0.01 -0.01 -0.04 1.41 0.67 2q9iE1 ASN 411 H -0.12 0.80 0.09 -0.55 8.53 8.75 2q9iE1 ASN 411 HA -1.16 0.13 0.61 -0.75 4.76 3.58 2q9iE1 ASN 411 HB2 -0.81 -0.04 -0.30 -0.04 2.88 1.69 2q9iE1 ASN 411 HB3 -0.31 -0.01 0.15 -0.04 2.79 2.58 2q9iE1 ASN 411 HD21 -0.04 0.51 0.12 -0.04 7.03 7.58 2q9iE1 ASN 411 HD22 -0.24 -0.01 0.06 -0.04 7.74 7.52 2q9iE1 PRO 412 HA -0.19 0.05 0.32 -0.51 4.44 4.12 2q9iE1 PRO 412 HB2 -0.50 0.05 -0.05 -0.04 2.28 1.74 2q9iE1 PRO 412 HB3 -0.07 0.03 -0.04 -0.04 2.02 1.89 2q9iE1 PRO 412 HG2 -0.01 0.04 -0.04 -0.04 2.03 1.98 2q9iE1 PRO 412 HG3 0.10 0.03 -0.02 -0.04 2.03 2.10 2q9iE1 PRO 412 HD2 -2.76 0.15 -0.03 -0.04 3.68 1.00 2q9iE1 PRO 412 HD3 -0.54 -0.03 -0.18 -0.04 3.65 2.86 2q9iE1 ASN 413 H -0.62 0.07 -0.51 -0.55 8.53 6.93 2q9iE1 ASN 413 HA -0.21 0.21 0.88 -0.75 4.76 4.88 2q9iE1 ASN 413 HB2 -0.04 0.17 0.03 -0.04 2.88 3.00 2q9iE1 ASN 413 HB3 0.40 0.02 0.19 -0.04 2.79 3.36 2q9iE1 ASN 413 HD21 -0.50 -0.09 -0.06 -0.04 7.03 6.33 2q9iE1 ASN 413 HD22 -0.08 0.41 0.06 -0.04 7.74 8.08 2q9iE1 GLY 414 H -0.16 0.28 -0.39 -0.55 8.43 7.61 2q9iE1 GLY 414 HA2 0.03 0.04 0.37 -0.51 4.01 3.93 2q9iE1 GLY 414 HA3 -0.03 0.25 0.11 -0.51 4.01 3.83 2q9iE1 ARG 415 H 0.07 0.85 0.33 -0.55 8.46 9.16 2q9iE1 ARG 415 HA 0.04 0.06 0.59 -0.75 4.34 4.27 2q9iE1 ARG 415 HB2 -0.02 -0.10 -0.07 -0.04 1.90 1.68 2q9iE1 ARG 415 HB3 -0.29 -0.01 -0.07 -0.04 1.80 1.39 2q9iE1 ARG 415 HG2 0.08 0.04 -0.03 -0.04 1.67 1.72 2q9iE1 ARG 415 HG3 0.11 -0.08 -0.03 -0.04 1.67 1.62 2q9iE1 ARG 415 HD2 0.00 -0.02 0.00 -0.04 3.22 3.16 2q9iE1 ARG 415 HD3 0.04 0.07 0.01 -0.04 3.22 3.30 2q9iE1 TYR 416 H 0.12 0.18 0.07 -0.55 8.29 8.10 2q9iE1 TYR 416 HA 0.04 0.11 0.56 -0.75 4.56 4.51 2q9iE1 TYR 416 HB2 0.05 0.01 0.08 -0.04 3.06 3.15 2q9iE1 TYR 416 HB3 0.09 0.04 0.20 -0.04 2.98 3.27 2q9iE1 TYR 416 HD2 0.20 -0.00 -0.17 -0.04 7.15 7.14 2q9iE1 TYR 416 HE2 0.19 0.04 -0.25 -0.04 6.85 6.78 2q9iE1 TYR 417 H -0.02 0.21 0.13 -0.55 8.29 8.06 2q9iE1 TYR 417 HA -0.04 0.05 0.50 -0.75 4.56 4.31 2q9iE1 TYR 417 HB2 -0.43 -0.05 0.09 -0.04 3.06 2.62 2q9iE1 TYR 417 HB3 -0.25 0.13 -0.16 -0.04 2.98 2.66 2q9iE1 TYR 417 HD2 -0.28 0.06 -0.03 -0.04 7.15 6.87 2q9iE1 TYR 417 HE2 -0.06 0.02 -0.28 -0.04 6.85 6.49 2q9iE1 TRP 418 H 0.17 0.14 0.15 -0.55 7.97 7.88 2q9iE1 TRP 418 HA -0.43 0.10 0.57 -0.75 4.62 4.11 2q9iE1 TRP 418 HB2 0.03 0.07 0.09 -0.04 3.23 3.38 2q9iE1 TRP 418 HB3 -0.14 -0.01 0.08 -0.04 3.23 3.12 2q9iE1 TRP 418 HD1 -0.20 -0.01 -0.18 -0.04 7.22 6.79 2q9iE1 TRP 418 HE1 0.09 -0.00 -0.00 -0.04 10.20 10.24 2q9iE1 TRP 418 HE3 0.52 0.03 -0.07 -0.04 7.59 8.03 2q9iE1 TRP 418 HZ2 0.28 -0.01 0.02 -0.04 7.44 7.69 2q9iE1 TRP 418 HZ3 0.31 0.07 -0.02 -0.04 7.13 7.46 2q9iE1 TRP 418 HH2 0.21 0.01 0.03 -0.04 7.19 7.40 2q9iE1 GLY 419 H -4.00 0.18 0.14 -0.55 8.43 4.20 2q9iE1 GLY 419 HA2 -1.23 0.01 0.37 -0.51 4.01 2.65 2q9iE1 GLY 419 HA3 -0.63 0.18 0.62 -0.51 4.01 3.67 2q9iE1 GLY 420 H -1.41 0.26 -0.60 -0.55 8.43 6.13 2q9iE1 GLY 420 HA2 -0.61 0.47 0.37 -0.51 4.01 3.73 2q9iE1 GLY 420 HA3 -1.13 -0.05 0.45 -0.51 4.01 2.77 2q9iE1 GLN 421 H -0.37 0.44 0.06 -0.55 8.47 8.05 2q9iE1 GLN 421 HA 0.03 0.14 0.51 -0.75 4.36 4.29 2q9iE1 GLN 421 HB2 0.03 -0.01 0.16 -0.04 2.15 2.29 2q9iE1 GLN 421 HB3 -0.06 -0.01 0.07 -0.04 2.02 1.98 2q9iE1 GLN 421 HG2 0.02 -0.05 -0.00 -0.04 2.40 2.33 2q9iE1 GLN 421 HG3 0.01 0.02 -0.10 -0.04 2.39 2.28 2q9iE1 GLN 421 HE21 0.15 -0.10 0.05 -0.04 6.97 7.03 2q9iE1 GLN 421 HE22 0.06 0.04 0.11 -0.04 7.69 7.86 2q9iE1 TYR 422 H 0.13 0.47 0.23 -0.55 8.29 8.57 2q9iE1 TYR 422 HA -0.09 0.15 0.61 -0.75 4.56 4.48 2q9iE1 TYR 422 HB2 -0.32 -0.07 0.07 -0.04 3.06 2.70 2q9iE1 TYR 422 HB3 -0.26 0.11 -0.25 -0.04 2.98 2.54 2q9iE1 TYR 422 HD2 -0.36 0.13 -0.22 -0.04 7.15 6.65 2q9iE1 TYR 422 HE2 -0.10 -0.06 -0.27 -0.04 6.85 6.37 2q9iE1 THR 423 H -0.02 0.21 0.14 -0.55 8.28 8.05 2q9iE1 THR 423 HA -0.58 0.25 0.92 -0.75 4.39 4.23 2q9iE1 THR 423 HB -0.47 -0.07 0.11 -0.04 4.32 3.84 2q9iE1 THR 423 HG23 -0.20 0.04 -0.24 -0.04 1.22 0.78 2q9iE1 TRP 424 H -0.68 0.21 0.14 -0.55 7.97 7.09 2q9iE1 TRP 424 HA 0.02 0.11 0.33 -0.75 4.62 4.33 2q9iE1 TRP 424 HB2 -0.06 0.20 0.12 -0.04 3.23 3.45 2q9iE1 TRP 424 HB3 -0.72 0.01 0.12 -0.04 3.23 2.60 2q9iE1 TRP 424 HD1 -0.54 -0.01 0.09 -0.04 7.22 6.72 2q9iE1 TRP 424 HE1 -0.19 0.03 0.01 -0.04 10.20 10.01 2q9iE1 TRP 424 HE3 -0.01 0.01 -0.21 -0.04 7.59 7.34 2q9iE1 TRP 424 HZ2 -0.07 0.00 -0.01 -0.04 7.44 7.32 2q9iE1 TRP 424 HZ3 -0.00 0.04 -0.07 -0.04 7.13 7.06 2q9iE1 TRP 424 HH2 -0.03 0.02 -0.02 -0.04 7.19 7.11 2q9iE1 ASP 425 H -1.63 0.06 -0.17 -0.55 8.40 6.12 2q9iE1 ASP 425 HA -1.03 0.19 0.46 -0.75 4.63 3.49 2q9iE1 ASP 425 HB2 -0.76 0.06 0.12 -0.04 2.71 2.08 2q9iE1 ASP 425 HB3 -2.28 0.00 0.06 -0.04 2.70 0.44 2q9iE1 MET 426 H -0.23 0.13 -0.76 -0.55 8.47 7.06 2q9iE1 MET 426 HA -0.06 0.17 0.74 -0.75 4.52 4.61 2q9iE1 MET 426 HB2 0.09 0.16 0.12 -0.04 2.15 2.48 2q9iE1 MET 426 HB3 0.16 0.00 0.01 -0.04 2.03 2.16 2q9iE1 MET 426 HG2 -0.07 0.08 -0.09 -0.04 2.63 2.51 2q9iE1 MET 426 HG3 -0.17 -0.14 -0.15 -0.04 2.56 2.06 2q9iE1 MET 426 HE3 -0.08 0.00 -0.09 -0.04 2.10 1.89 2q9iE1 ALA 427 H 0.12 0.09 0.03 -0.55 8.40 8.11 2q9iE1 ALA 427 HA 0.36 0.02 0.49 -0.75 4.34 4.45 2q9iE1 ALA 427 HB3 0.41 -0.01 0.11 -0.04 1.41 1.87 2q9iE1 LYS 428 H 0.12 0.14 0.20 -0.55 8.42 8.32 2q9iE1 LYS 428 HA -0.05 0.11 0.37 -0.75 4.32 3.99 2q9iE1 LYS 428 HB2 -0.09 0.02 0.16 -0.04 1.87 1.92 2q9iE1 LYS 428 HB3 -0.14 -0.02 0.15 -0.04 1.79 1.74 2q9iE1 LYS 428 HG2 -1.24 0.03 -0.23 -0.04 1.46 -0.01 2q9iE1 LYS 428 HG3 -0.30 -0.01 0.06 -0.04 1.46 1.17 2q9iE1 LYS 428 HD2 -0.15 0.04 0.03 -0.04 1.69 1.57 2q9iE1 LYS 428 HD3 -0.18 -0.00 0.01 -0.04 1.68 1.47 2q9iE1 LYS 428 HE2 -0.09 -0.01 0.04 -0.04 2.99 2.89 2q9iE1 LYS 428 HE3 -0.08 -0.02 0.05 -0.04 2.99 2.91 2q9iE1 HIS 429 H 0.15 -0.00 -0.25 -0.55 8.41 7.76 2q9iE1 HIS 429 HA 0.13 0.26 0.89 -0.75 4.63 5.16 2q9iE1 HIS 429 HB2 0.14 0.02 0.10 -0.04 3.26 3.49 2q9iE1 HIS 429 HB3 0.13 -0.02 0.19 -0.04 3.20 3.45 2q9iE1 HIS 429 HD2 0.07 0.01 0.02 -0.04 6.97 7.02 2q9iE1 HIS 429 HE1 -0.00 0.04 0.01 -0.04 7.75 7.74 2q9iE1 GLY 430 H 0.26 0.54 -0.24 -0.55 8.43 8.44 2q9iE1 GLY 430 HA2 0.47 0.23 0.42 -0.51 4.01 4.61 2q9iE1 GLY 430 HA3 0.38 0.03 0.32 -0.51 4.01 4.23 2q9iE1 THR 431 H 0.34 -0.03 -0.77 -0.55 8.28 7.27 2q9iE1 THR 431 HA 0.32 0.17 0.70 -0.75 4.39 4.83 2q9iE1 THR 431 HB 0.14 -0.09 -0.08 -0.04 4.32 4.25 2q9iE1 THR 431 HG23 0.17 0.08 -0.11 -0.04 1.22 1.32 2q9iE1 ASP 432 H -0.04 0.16 -0.00 -0.55 8.40 7.97 2q9iE1 ASP 432 HA -0.25 0.11 0.64 -0.75 4.63 4.38 2q9iE1 ASP 432 HB2 -0.47 0.23 0.16 -0.04 2.71 2.59 2q9iE1 ASP 432 HB3 -1.68 -0.04 -0.01 -0.04 2.70 0.93 2q9iE1 ASP 433 H 0.28 0.34 -0.13 -0.55 8.40 8.34 2q9iE1 ASP 433 HA 0.07 0.32 0.69 -0.75 4.63 4.96 2q9iE1 ASP 433 HB2 0.15 0.03 -0.30 -0.04 2.71 2.55 2q9iE1 ASP 433 HB3 0.18 0.13 -0.01 -0.04 2.70 2.96 2q9iE1 GLY 434 H 0.10 0.01 -0.50 -0.55 8.43 7.50 2q9iE1 GLY 434 HA2 0.14 0.23 0.50 -0.51 4.01 4.37 2q9iE1 GLY 434 HA3 -0.39 -0.02 0.20 -0.51 4.01 3.29 2q9iE1 VAL 435 H -0.03 0.17 0.08 -0.55 8.24 7.92 2q9iE1 VAL 435 HA -0.06 0.26 0.54 -0.75 4.13 4.13 2q9iE1 VAL 435 HB -0.01 -0.04 0.11 -0.04 2.12 2.13 2q9iE1 VAL 435 HG13 -0.01 0.00 -0.12 -0.04 0.97 0.81 2q9iE1 VAL 435 HG23 0.03 0.07 -0.33 -0.04 0.95 0.67 2q9iE1 VAL 436 H -0.01 0.51 -0.11 -0.55 8.24 8.08 2q9iE1 VAL 436 HA 0.21 0.29 0.70 -0.75 4.13 4.57 2q9iE1 VAL 436 HB 0.16 0.01 -0.10 -0.04 2.12 2.14 2q9iE1 VAL 436 HG13 0.11 -0.04 -0.03 -0.04 0.97 0.97 2q9iE1 VAL 436 HG23 0.12 0.07 -0.30 -0.04 0.95 0.80 2q9iE1 TRP 437 H 0.32 0.31 -0.08 -0.55 7.97 7.98 2q9iE1 TRP 437 HA 0.12 0.09 0.63 -0.75 4.62 4.71 2q9iE1 TRP 437 HB2 0.12 0.13 -0.12 -0.04 3.23 3.32 2q9iE1 TRP 437 HB3 0.25 -0.03 0.13 -0.04 3.23 3.54 2q9iE1 TRP 437 HD1 0.22 -0.16 -0.10 -0.04 7.22 7.14 2q9iE1 TRP 437 HE1 0.11 0.22 -0.08 -0.04 10.20 10.41 2q9iE1 TRP 437 HE3 0.03 0.08 -0.01 -0.04 7.59 7.65 2q9iE1 TRP 437 HZ2 0.22 0.10 0.03 -0.04 7.44 7.75 2q9iE1 TRP 437 HZ3 0.12 0.06 -0.06 -0.04 7.13 7.21 2q9iE1 TRP 437 HH2 0.25 0.03 -0.04 -0.04 7.19 7.38 2q9iE1 MET 438 H 0.02 0.44 0.07 -0.55 8.47 8.46 2q9iE1 MET 438 HA 0.06 0.23 0.15 -0.75 4.52 4.20 2q9iE1 MET 438 HB2 -0.10 0.01 0.17 -0.04 2.15 2.19 2q9iE1 MET 438 HB3 -0.05 -0.09 -0.04 -0.04 2.03 1.81 2q9iE1 MET 438 HG2 -0.11 -0.05 -0.20 -0.04 2.63 2.23 2q9iE1 MET 438 HG3 -0.09 0.12 -0.05 -0.04 2.56 2.50 2q9iE1 MET 438 HE3 -0.11 -0.03 -0.01 -0.04 2.10 1.90 2q9iE1 ASN 439 H -0.07 0.15 -0.28 -0.55 8.53 7.78 2q9iE1 ASN 439 HA 0.11 -0.01 0.34 -0.75 4.76 4.45 2q9iE1 ASN 439 HB2 0.24 0.03 -0.06 -0.04 2.88 3.05 2q9iE1 ASN 439 HB3 0.25 -0.01 0.13 -0.04 2.79 3.12 2q9iE1 ASN 439 HD21 -0.03 0.56 -0.12 -0.04 7.03 7.40 2q9iE1 ASN 439 HD22 0.05 0.03 -0.01 -0.04 7.74 7.77 2q9iE1 TRP 440 H 0.50 0.59 -0.46 -0.55 7.97 8.04 2q9iE1 TRP 440 HA 0.12 0.25 1.11 -0.75 4.62 5.34 2q9iE1 TRP 440 HB2 0.20 -0.19 -0.01 -0.04 3.23 3.19 2q9iE1 TRP 440 HB3 0.18 0.03 0.08 -0.04 3.23 3.48 2q9iE1 TRP 440 HD1 0.03 0.08 0.14 -0.04 7.22 7.43 2q9iE1 TRP 440 HE1 -0.02 0.03 -0.04 -0.04 10.20 10.13 2q9iE1 TRP 440 HE3 -0.00 0.01 -0.13 -0.04 7.59 7.43 2q9iE1 TRP 440 HZ2 -0.05 0.01 -0.21 -0.04 7.44 7.15 2q9iE1 TRP 440 HZ3 -0.03 -0.05 -0.23 -0.04 7.13 6.78 2q9iE1 TRP 440 HH2 -0.06 0.00 -0.30 -0.04 7.19 6.79 2q9iE1 LYS 441 H 0.22 0.22 0.05 -0.55 8.42 8.35 2q9iE1 LYS 441 HA -0.31 0.27 1.01 -0.75 4.32 4.53 2q9iE1 LYS 441 HB2 -0.07 0.03 -0.00 -0.04 1.87 1.79 2q9iE1 LYS 441 HB3 -0.62 -0.01 0.09 -0.04 1.79 1.21 2q9iE1 LYS 441 HG2 -1.44 0.17 -0.44 -0.04 1.46 -0.29 2q9iE1 LYS 441 HG3 -0.61 -0.05 -0.21 -0.04 1.46 0.55 2q9iE1 LYS 441 HD2 -1.27 -0.07 -0.10 -0.04 1.69 0.20 2q9iE1 LYS 441 HD3 -1.73 -0.02 -0.10 -0.04 1.68 -0.20 2q9iE1 LYS 441 HE2 -0.94 -0.05 -0.04 -0.04 2.99 1.92 2q9iE1 LYS 441 HE3 -0.88 0.06 -0.03 -0.04 2.99 2.10 2q9iE1 GLY 442 H 0.03 0.38 -0.01 -0.55 8.43 8.28 2q9iE1 GLY 442 HA2 0.01 0.03 0.36 -0.51 4.01 3.90 2q9iE1 GLY 442 HA3 0.03 0.07 0.40 -0.51 4.01 3.99 2q9iE1 SER 443 H -0.10 0.15 0.15 -0.55 8.46 8.11 2q9iE1 SER 443 HA -0.14 0.16 0.76 -0.75 4.49 4.51 2q9iE1 SER 443 HB2 -0.74 0.03 0.07 -0.04 3.95 3.26 2q9iE1 SER 443 HB3 -0.29 0.00 0.05 -0.04 3.93 3.65 2q9iE1 TRP 444 H -0.03 0.10 -0.11 -0.55 7.97 7.37 2q9iE1 TRP 444 HA -0.75 0.17 0.79 -0.75 4.62 4.08 2q9iE1 TRP 444 HB2 -0.14 -0.01 0.16 -0.04 3.23 3.20 2q9iE1 TRP 444 HB3 -0.41 0.35 0.27 -0.04 3.23 3.40 2q9iE1 TRP 444 HD1 -0.07 -0.00 0.01 -0.04 7.22 7.12 2q9iE1 TRP 444 HE1 -0.05 0.03 -0.04 -0.04 10.20 10.10 2q9iE1 TRP 444 HE3 -1.34 0.06 -0.32 -0.04 7.59 5.94 2q9iE1 TRP 444 HZ2 0.01 0.05 -0.06 -0.04 7.44 7.39 2q9iE1 TRP 444 HZ3 -0.08 0.08 -0.43 -0.04 7.13 6.66 2q9iE1 TRP 444 HH2 0.12 0.22 -0.42 -0.04 7.19 7.07 2q9iE1 TYR 445 H 0.28 0.25 -0.67 -0.55 8.29 7.60 2q9iE1 TYR 445 HA 0.23 0.20 0.45 -0.75 4.56 4.69 2q9iE1 TYR 445 HB2 0.05 0.05 -0.28 -0.04 3.06 2.85 2q9iE1 TYR 445 HB3 0.06 0.03 -0.07 -0.04 2.98 2.96 2q9iE1 TYR 445 HD2 0.06 0.00 -0.28 -0.04 7.15 6.89 2q9iE1 TYR 445 HE2 0.09 -0.03 -0.07 -0.04 6.85 6.80 2q9iE1 SER 446 H -0.25 0.68 0.04 -0.55 8.46 8.39 2q9iE1 SER 446 HA 0.04 0.12 0.56 -0.75 4.49 4.46 2q9iE1 SER 446 HB2 -0.34 -0.10 0.07 -0.04 3.95 3.53 2q9iE1 SER 446 HB3 -0.18 0.15 0.22 -0.04 3.93 4.08 2q9iE1 MET 447 H 0.16 0.60 0.17 -0.55 8.47 8.85 2q9iE1 MET 447 HA 0.30 -0.09 0.28 -0.75 4.52 4.25 2q9iE1 MET 447 HB2 0.06 0.01 -0.07 -0.04 2.15 2.10 2q9iE1 MET 447 HB3 0.08 0.00 0.13 -0.04 2.03 2.21 2q9iE1 MET 447 HG2 0.25 0.31 0.10 -0.04 2.63 3.25 2q9iE1 MET 447 HG3 0.18 -0.04 -0.03 -0.04 2.56 2.63 2q9iE1 MET 447 HE3 0.46 0.01 -0.09 -0.04 2.10 2.44 2q9iE1 ARG 448 H -0.25 0.57 0.38 -0.55 8.46 8.61 2q9iE1 ARG 448 HA -0.86 0.17 0.77 -0.75 4.34 3.66 2q9iE1 ARG 448 HB2 -2.96 -0.12 -0.08 -0.04 1.90 -1.30 2q9iE1 ARG 448 HB3 -0.82 0.12 -0.10 -0.04 1.80 0.96 2q9iE1 ARG 448 HG2 -0.63 0.01 -0.16 -0.04 1.67 0.86 2q9iE1 ARG 448 HG3 -1.06 0.03 0.08 -0.04 1.67 0.68 2q9iE1 ARG 448 HD2 -0.77 0.02 0.01 -0.04 3.22 2.44 2q9iE1 ARG 448 HD3 -2.88 -0.07 0.01 -0.04 3.22 0.24 2q9iE1 LYS 449 H -0.17 0.26 0.31 -0.55 8.42 8.27 2q9iE1 LYS 449 HA -0.07 0.30 0.77 -0.75 4.32 4.57 2q9iE1 LYS 449 HB2 -0.13 -0.12 0.11 -0.04 1.87 1.69 2q9iE1 LYS 449 HB3 -0.11 0.01 -0.03 -0.04 1.79 1.61 2q9iE1 LYS 449 HG2 -0.12 0.09 0.11 -0.04 1.46 1.51 2q9iE1 LYS 449 HG3 -0.20 -0.00 -0.24 -0.04 1.46 0.98 2q9iE1 LYS 449 HD2 -0.12 -0.03 -0.06 -0.04 1.69 1.44 2q9iE1 LYS 449 HD3 -0.10 -0.02 -0.05 -0.04 1.68 1.46 2q9iE1 LYS 449 HE2 -0.08 -0.02 -0.03 -0.04 2.99 2.81 2q9iE1 LYS 449 HE3 -0.09 0.02 -0.01 -0.04 2.99 2.86 2q9iE1 MET 450 H -0.06 0.60 0.19 -0.55 8.47 8.65 2q9iE1 MET 450 HA -0.10 0.29 0.89 -0.75 4.52 4.84 2q9iE1 MET 450 HB2 -0.02 0.02 -0.16 -0.04 2.15 1.95 2q9iE1 MET 450 HB3 -0.05 -0.03 0.01 -0.04 2.03 1.92 2q9iE1 MET 450 HG2 -0.05 0.00 -0.02 -0.04 2.63 2.52 2q9iE1 MET 450 HG3 -0.04 -0.02 -0.23 -0.04 2.56 2.23 2q9iE1 MET 450 HE3 0.19 -0.03 -0.16 -0.04 2.10 2.05 2q9iE1 SER 451 H -0.13 0.72 0.41 -0.55 8.46 8.91 2q9iE1 SER 451 HA -0.07 0.17 0.83 -0.75 4.49 4.68 2q9iE1 SER 451 HB2 -0.11 0.11 0.16 -0.04 3.95 4.06 2q9iE1 SER 451 HB3 -0.11 -0.01 -0.08 -0.04 3.93 3.69 2q9iE1 MET 452 H -0.06 0.60 0.33 -0.55 8.47 8.79 2q9iE1 MET 452 HA -0.09 0.24 1.01 -0.75 4.52 4.93 2q9iE1 MET 452 HB2 0.02 -0.11 0.19 -0.04 2.15 2.21 2q9iE1 MET 452 HB3 0.00 0.07 -0.01 -0.04 2.03 2.05 2q9iE1 MET 452 HG2 0.14 0.04 -0.13 -0.04 2.63 2.64 2q9iE1 MET 452 HG3 0.15 -0.06 -0.26 -0.04 2.56 2.35 2q9iE1 MET 452 HE3 0.19 0.01 -0.09 -0.04 2.10 2.17 2q9iE1 LYS 453 H -0.16 0.66 0.35 -0.55 8.42 8.71 2q9iE1 LYS 453 HA 0.08 0.19 1.01 -0.75 4.32 4.85 2q9iE1 LYS 453 HB2 -0.39 0.01 0.03 -0.04 1.87 1.47 2q9iE1 LYS 453 HB3 0.24 -0.03 -0.12 -0.04 1.79 1.85 2q9iE1 LYS 453 HG2 -0.02 0.00 -0.20 -0.04 1.46 1.20 2q9iE1 LYS 453 HG3 -0.19 -0.05 -0.26 -0.04 1.46 0.92 2q9iE1 LYS 453 HD2 -0.62 0.03 -0.10 -0.04 1.69 0.96 2q9iE1 LYS 453 HD3 -0.12 -0.01 -0.10 -0.04 1.68 1.41 2q9iE1 LYS 453 HE2 -0.08 0.02 -0.10 -0.04 2.99 2.79 2q9iE1 LYS 453 HE3 -0.21 -0.02 -0.12 -0.04 2.99 2.60 2q9iE1 ILE 454 H 0.29 0.53 0.37 -0.55 8.25 8.90 2q9iE1 ILE 454 HA 0.40 0.29 1.13 -0.75 4.18 5.25 2q9iE1 ILE 454 HB 0.26 0.08 0.10 -0.04 1.89 2.30 2q9iE1 ILE 454 HG12 0.17 0.12 0.13 -0.04 1.49 1.87 2q9iE1 ILE 454 HG13 0.15 -0.05 -0.19 -0.04 1.21 1.09 2q9iE1 ILE 454 HG23 0.27 -0.03 -0.19 -0.04 0.93 0.94 2q9iE1 ILE 454 HD13 0.13 -0.00 -0.08 -0.04 0.88 0.89 2q9iE1 ARG 455 H 0.23 0.57 0.32 -0.55 8.46 9.02 2q9iE1 ARG 455 HA -0.06 0.04 0.66 -0.75 4.34 4.23 2q9iE1 ARG 455 HB2 -0.75 -0.02 -0.33 -0.04 1.90 0.76 2q9iE1 ARG 455 HB3 -0.65 -0.06 -0.14 -0.04 1.80 0.90 2q9iE1 ARG 455 HG2 -0.32 0.26 -0.01 -0.04 1.67 1.56 2q9iE1 ARG 455 HG3 -0.38 -0.02 0.17 -0.04 1.67 1.40 2q9iE1 ARG 455 HD2 -0.59 0.03 -0.01 -0.04 3.22 2.61 2q9iE1 ARG 455 HD3 -1.60 -0.09 -0.32 -0.04 3.22 1.16 2q9iE1 PRO 456 HA 0.07 0.27 0.63 -0.51 4.44 4.89 2q9iE1 PRO 456 HB2 -0.06 0.02 0.04 -0.04 2.28 2.24 2q9iE1 PRO 456 HB3 -0.00 0.07 0.04 -0.04 2.02 2.09 2q9iE1 PRO 456 HG2 -0.06 -0.07 0.06 -0.04 2.03 1.92 2q9iE1 PRO 456 HG3 -0.01 0.09 0.05 -0.04 2.03 2.11 2q9iE1 PRO 456 HD2 -0.14 0.11 0.26 -0.04 3.68 3.87 2q9iE1 PRO 456 HD3 -0.05 0.02 0.21 -0.04 3.65 3.79 2q9iE1 PHE 457 H 0.23 0.66 0.18 -0.55 8.34 8.86 2q9iE1 PHE 457 HA 0.06 0.07 0.43 -0.75 4.62 4.43 2q9iE1 PHE 457 HB2 0.09 0.03 -0.15 -0.04 3.15 3.08 2q9iE1 PHE 457 HB3 0.08 -0.07 0.12 -0.04 3.06 3.15 2q9iE1 PHE 457 HD2 0.10 -0.02 0.04 -0.04 7.28 7.35 2q9iE1 PHE 457 HE2 -0.01 -0.06 -0.00 -0.04 7.38 7.27 2q9iE1 PHE 457 HZ -0.09 -0.05 -0.02 -0.04 7.32 7.12 2q9iE1 PHE 458 H 0.06 0.12 0.04 -0.55 8.34 8.01 2q9iE1 PHE 458 HA -0.32 0.14 0.66 -0.75 4.62 4.35 2q9iE1 PHE 458 HB2 -1.21 0.07 -0.29 -0.04 3.15 1.68 2q9iE1 PHE 458 HB3 -1.16 -0.03 0.05 -0.04 3.06 1.88 2q9iE1 PHE 458 HD2 -0.25 0.03 -0.26 -0.04 7.28 6.75 2q9iE1 PHE 458 HE2 -0.10 -0.03 -0.05 -0.04 7.38 7.16 2q9iE1 PHE 458 HZ -0.08 -0.03 -0.03 -0.04 7.32 7.14 2q9iE1 PRO 459 HA 0.15 0.21 0.48 -0.51 4.44 4.77 2q9iE1 PRO 459 HB2 0.15 0.02 0.11 -0.04 2.28 2.52 2q9iE1 PRO 459 HB3 0.12 0.04 0.07 -0.04 2.02 2.22 2q9iE1 PRO 459 HG2 0.12 0.04 0.04 -0.04 2.03 2.19 2q9iE1 PRO 459 HG3 0.14 0.06 -0.04 -0.04 2.03 2.16 2q9iE1 PRO 459 HD2 0.44 0.09 0.17 -0.04 3.68 4.35 2q9iE1 PRO 459 HD3 -0.19 0.13 0.13 -0.04 3.65 3.68