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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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3317 |
1dip ![]() ![]() |
cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ACE 0 HA1 ACE 0 0.089 -3.704 -3.704 2 2H ACE 0 HA2 ACE 0 1.565 -4.534 -4.534 3 3H ACE 0 HA3 ACE 0 0.784 -3.397 -3.397 4 H MET 1 HN MET 1 2.397 -3.579 -3.579 5 HA MET 1 HA MET 1 3.890 -1.145 -1.145 6 1HB MET 1 HB2 MET 1 2.885 -0.231 -0.231 7 2HB MET 1 HB1 MET 1 2.215 0.222 0.222 8 1HG MET 1 HG2 MET 1 0.360 -0.475 -0.475 9 2HG MET 1 HG1 MET 1 0.666 -1.788 -1.788 10 1HE MET 1 HE1 MET 1 0.597 -3.766 -3.766 11 2HE MET 1 HE3 MET 1 1.005 -4.726 -4.726 12 3HE MET 1 HE2 MET 1 -0.524 -3.853 -3.853 13 H ASP 2 HN ASP 2 5.749 -1.101 -1.101 14 HA ASP 2 HA ASP 2 5.879 -2.933 -2.933 15 1HB ASP 2 HB2 ASP 2 6.904 -3.717 -3.717 16 2HB ASP 2 HB1 ASP 2 8.275 -2.790 -2.790 17 H LEU 3 HN LEU 3 6.128 0.147 0.147 18 HA LEU 3 HA LEU 3 8.607 0.783 0.783 19 1HB LEU 3 HB2 LEU 3 8.198 3.110 3.110 20 2HB LEU 3 HB1 LEU 3 8.316 1.947 1.947 21 HG LEU 3 HG LEU 3 5.607 1.933 1.933 22 1HD1 LEU 3 HD13 LEU 3 6.150 4.038 4.038 23 2HD1 LEU 3 HD12 LEU 3 6.567 4.796 4.796 24 3HD1 LEU 3 HD11 LEU 3 4.919 4.237 4.237 25 1HD2 LEU 3 HD23 LEU 3 6.864 1.898 1.898 26 2HD2 LEU 3 HD22 LEU 3 5.304 2.721 2.721 27 3HD2 LEU 3 HD21 LEU 3 6.798 3.658 3.658 28 H VAL 4 HN VAL 4 5.097 1.193 1.193 29 HA VAL 4 HA VAL 4 5.069 3.001 3.001 30 HB VAL 4 HB VAL 4 3.030 0.828 0.828 31 1HG1 VAL 4 HG13 VAL 4 3.162 3.373 3.373 32 2HG1 VAL 4 HG12 VAL 4 1.655 3.051 3.051 33 3HG1 VAL 4 HG11 VAL 4 2.251 1.901 1.901 34 1HG2 VAL 4 HG23 VAL 4 3.772 3.218 3.218 35 2HG2 VAL 4 HG22 VAL 4 2.972 1.731 1.731 36 3HG2 VAL 4 HG21 VAL 4 2.047 2.999 2.999 37 H LYS 5 HN LYS 5 5.231 -0.538 -0.538 38 HA LYS 5 HA LYS 5 5.312 -0.775 -0.775 39 1HB LYS 5 HB2 LYS 5 4.912 -2.586 -2.586 40 2HB LYS 5 HB1 LYS 5 5.978 -3.255 -3.255 41 1HG LYS 5 HG2 LYS 5 4.080 -3.826 -3.826 42 2HG LYS 5 HG1 LYS 5 3.957 -2.115 -2.115 43 1HD LYS 5 HD2 LYS 5 1.888 -2.445 -2.445 44 2HD LYS 5 HD1 LYS 5 2.832 -1.967 -1.967 45 1HE LYS 5 HE2 LYS 5 2.784 -4.864 -4.864 46 2HE LYS 5 HE1 LYS 5 1.342 -4.177 -4.177 47 1HZ LYS 5 HZ3 LYS 5 3.114 -3.171 -3.171 48 2HZ LYS 5 HZ2 LYS 5 4.036 -4.501 -4.501 49 3HZ LYS 5 HZ1 LYS 5 2.526 -4.747 -4.747 50 H ASN 6 HN ASN 6 7.422 0.759 0.759 51 HA ASN 6 HA ASN 6 9.774 -0.886 -0.886 52 1HB ASN 6 HB2 ASN 6 9.126 0.184 0.184 53 2HB ASN 6 HB1 ASN 6 10.668 0.798 0.798 54 1HD2 ASN 6 HD22 ASN 6 12.281 -2.396 -2.396 55 2HD2 ASN 6 HD21 ASN 6 12.346 -0.842 -0.842 56 H HIS 7 HN HIS 7 8.675 2.362 2.362 57 HA HIS 7 HA HIS 7 10.784 3.621 3.621 58 1HB HIS 7 HB2 HIS 7 9.783 5.715 5.715 59 2HB HIS 7 HB1 HIS 7 9.911 4.629 4.629 60 HD1 HIS 7 HD1 HIS 7 7.813 6.659 6.659 61 HD2 HIS 7 HD2 HIS 7 7.020 3.166 3.166 62 HE1 HIS 7 HE1 HIS 7 5.300 6.343 6.343 63 H LEU 8 HN LEU 8 9.186 1.897 1.897 64 HA LEU 8 HA LEU 8 7.081 3.405 3.405 65 1HB LEU 8 HB2 LEU 8 8.607 0.861 0.861 66 2HB LEU 8 HB1 LEU 8 7.425 1.541 1.541 67 HG LEU 8 HG LEU 8 5.660 1.358 1.358 68 1HD1 LEU 8 HD12 LEU 8 7.864 0.701 0.701 69 2HD1 LEU 8 HD11 LEU 8 6.150 0.528 0.528 70 3HD1 LEU 8 HD13 LEU 8 6.816 2.118 2.118 71 1HD2 LEU 8 HD21 LEU 8 7.449 -1.089 -1.089 72 2HD2 LEU 8 HD23 LEU 8 6.101 -0.766 -0.766 73 3HD2 LEU 8 HD22 LEU 8 5.797 -1.093 -1.093 74 H MET 9 HN MET 9 10.452 3.505 3.505 75 HA MET 9 HA MET 9 10.682 4.427 4.427 76 1HB MET 9 HB2 MET 9 12.546 4.296 4.296 77 2HB MET 9 HB1 MET 9 12.973 5.310 5.310 78 1HG MET 9 HG2 MET 9 12.414 3.190 3.190 79 2HG MET 9 HG1 MET 9 12.607 2.325 2.325 80 1HE MET 9 HE2 MET 9 14.533 3.784 3.784 81 2HE MET 9 HE1 MET 9 16.150 3.245 3.245 82 3HE MET 9 HE3 MET 9 14.838 2.071 2.071 83 H TYR 10 HN TYR 10 9.562 5.650 5.650 84 HA TYR 10 HA TYR 10 10.090 8.493 8.493 85 1HB TYR 10 HB2 TYR 10 9.630 8.794 8.794 86 2HB TYR 10 HB1 TYR 10 9.866 7.057 7.057 87 HD1 TYR 10 HD1 TYR 10 7.257 6.055 6.055 88 HD2 TYR 10 HD2 TYR 10 8.008 9.227 9.227 89 HE1 TYR 10 HE1 TYR 10 4.967 5.830 5.830 90 HE2 TYR 10 HE2 TYR 10 5.706 8.999 8.999 91 HH TYR 10 HH TYR 10 3.722 8.034 8.034 92 H ALA 11 HN ALA 11 7.884 6.113 6.113 93 HA ALA 11 HA ALA 11 6.052 7.847 7.847 94 1HB ALA 11 HB3 ALA 11 5.725 8.112 8.112 95 2HB ALA 11 HB2 ALA 11 4.730 6.679 6.679 96 3HB ALA 11 HB1 ALA 11 4.363 8.173 8.173 97 H VAL 12 HN VAL 12 6.795 4.794 4.794 98 HA VAL 12 HA VAL 12 5.964 2.671 2.671 99 HB VAL 12 HB VAL 12 7.156 3.135 3.135 100 1HG1 VAL 12 HG13 VAL 12 4.348 3.940 3.940 101 2HG1 VAL 12 HG12 VAL 12 5.455 3.318 3.318 102 3HG1 VAL 12 HG11 VAL 12 5.861 4.784 4.784 103 1HG2 VAL 12 HG21 VAL 12 5.731 0.977 0.977 104 2HG2 VAL 12 HG23 VAL 12 6.566 1.059 1.059 105 3HG2 VAL 12 HG22 VAL 12 4.838 1.403 1.403 106 H ARG 13 HN ARG 13 4.145 4.657 4.657 107 HA ARG 13 HA ARG 13 1.671 4.850 4.850 108 1HB ARG 13 HB2 ARG 13 0.763 5.236 5.236 109 2HB ARG 13 HB1 ARG 13 2.421 5.835 5.835 110 1HG ARG 13 HG2 ARG 13 2.942 3.348 3.348 111 2HG ARG 13 HG1 ARG 13 1.258 3.402 3.402 112 1HD ARG 13 HD2 ARG 13 2.802 5.807 5.807 113 2HD ARG 13 HD1 ARG 13 3.384 4.333 4.333 114 HE ARG 13 HE ARG 13 0.689 4.176 4.176 115 1HH1 ARG 13 HH11 ARG 13 0.094 6.950 6.950 116 2HH1 ARG 13 HH12 ARG 13 0.563 7.589 7.589 117 1HH2 ARG 13 HH21 ARG 13 2.563 4.877 4.877 118 2HH2 ARG 13 HH22 ARG 13 1.958 6.415 6.415 119 H GLU 14 HN GLU 14 0.594 3.208 3.208 120 HA GLU 14 HA GLU 14 -0.649 1.111 1.111 121 1HB GLU 14 HB2 GLU 14 1.968 0.481 0.481 122 2HB GLU 14 HB1 GLU 14 1.496 -0.156 -0.156 123 1HG GLU 14 HG2 GLU 14 -0.524 -0.934 -0.934 124 2HG GLU 14 HG1 GLU 14 1.026 -1.291 -1.291 125 H GLU 15 HN GLU 15 0.765 2.252 2.252 126 HA GLU 15 HA GLU 15 -1.382 0.856 0.856 127 1HB GLU 15 HB2 GLU 15 1.208 2.173 2.173 128 2HB GLU 15 HB1 GLU 15 0.000 1.575 1.575 129 1HG GLU 15 HG2 GLU 15 0.486 -0.456 -0.456 130 2HG GLU 15 HG1 GLU 15 2.037 0.087 0.087 131 H VAL 16 HN VAL 16 0.253 3.861 3.861 132 HA VAL 16 HA VAL 16 -2.183 5.429 5.429 133 HB VAL 16 HB VAL 16 -1.141 5.775 5.775 134 1HG1 VAL 16 HG11 VAL 16 -3.811 5.843 5.843 135 2HG1 VAL 16 HG13 VAL 16 -3.687 5.919 5.919 136 3HG1 VAL 16 HG12 VAL 16 -2.945 7.175 7.175 137 1HG2 VAL 16 HG21 VAL 16 -1.291 3.266 3.266 138 2HG2 VAL 16 HG23 VAL 16 -2.358 3.898 3.898 139 3HG2 VAL 16 HG22 VAL 16 -3.010 3.485 3.485 140 H GLU 17 HN GLU 17 -1.512 7.372 7.372 141 HA GLU 17 HA GLU 17 1.257 8.081 8.081 142 1HB GLU 17 HB2 GLU 17 -1.273 9.679 9.679 143 2HB GLU 17 HB1 GLU 17 0.339 10.344 10.344 144 1HG GLU 17 HG2 GLU 17 -0.037 9.522 9.522 145 2HG GLU 17 HG1 GLU 17 0.613 8.056 8.056 146 H ILE 18 HN ILE 18 -1.316 8.912 8.912 147 HA ILE 18 HA ILE 18 0.146 11.018 11.018 148 HB ILE 18 HB ILE 18 -2.046 9.259 9.259 149 1HG1 ILE 18 HG12 ILE 18 -2.308 11.891 11.891 150 2HG1 ILE 18 HG11 ILE 18 -2.640 10.316 10.316 151 1HG2 ILE 18 HG21 ILE 18 -0.524 11.020 11.020 152 2HG2 ILE 18 HG23 ILE 18 -1.697 12.147 12.147 153 3HG2 ILE 18 HG22 ILE 18 -2.243 10.819 10.819 154 1HD1 ILE 18 HD13 ILE 18 -4.314 9.903 9.903 155 2HD1 ILE 18 HD12 ILE 18 -4.059 11.561 11.561 156 3HD1 ILE 18 HD11 ILE 18 -4.740 11.254 11.254 157 H LEU 19 HN LEU 19 -0.356 7.550 7.550 158 HA LEU 19 HA LEU 19 1.316 7.591 7.591 159 1HB LEU 19 HB2 LEU 19 -0.309 5.688 5.688 160 2HB LEU 19 HB1 LEU 19 1.300 4.986 4.986 161 HG LEU 19 HG LEU 19 1.256 5.617 5.617 162 1HD1 LEU 19 HD11 LEU 19 -0.914 7.177 7.177 163 2HD1 LEU 19 HD13 LEU 19 -1.648 5.863 5.863 164 3HD1 LEU 19 HD12 LEU 19 -0.413 6.877 6.877 165 1HD2 LEU 19 HD22 LEU 19 -0.411 3.610 3.610 166 2HD2 LEU 19 HD21 LEU 19 0.678 3.423 3.423 167 3HD2 LEU 19 HD23 LEU 19 -0.971 3.993 3.993 168 H LYS 20 HN LYS 20 1.955 7.375 7.375 169 HA LYS 20 HA LYS 20 4.618 6.226 6.226 170 1HB LYS 20 HB2 LYS 20 3.548 6.002 6.002 171 2HB LYS 20 HB1 LYS 20 3.222 7.733 7.733 172 1HG LYS 20 HG2 LYS 20 6.056 7.221 7.221 173 2HG LYS 20 HG1 LYS 20 5.463 6.411 6.411 174 1HD LYS 20 HD2 LYS 20 5.525 8.384 8.384 175 2HD LYS 20 HD1 LYS 20 4.273 8.979 8.979 176 1HE LYS 20 HE2 LYS 20 5.743 10.327 10.327 177 2HE LYS 20 HE1 LYS 20 6.837 8.975 8.975 178 1HZ LYS 20 HZ2 LYS 20 6.651 10.249 10.249 179 2HZ LYS 20 HZ1 LYS 20 7.664 10.883 10.883 180 3HZ LYS 20 HZ3 LYS 20 7.910 9.304 9.304 181 H GLU 21 HN GLU 21 3.261 9.479 9.479 182 HA GLU 21 HA GLU 21 5.855 10.782 10.782 183 1HB GLU 21 HB2 GLU 21 3.200 11.558 11.558 184 2HB GLU 21 HB1 GLU 21 3.687 12.526 12.526 185 1HG GLU 21 HG2 GLU 21 5.058 13.773 13.773 186 2HG GLU 21 HG1 GLU 21 5.871 12.331 12.331 187 H GLN 22 HN GLN 22 3.583 9.484 9.484 188 HA GLN 22 HA GLN 22 4.387 11.137 11.137 189 1HB GLN 22 HB2 GLN 22 2.352 9.213 9.213 190 2HB GLN 22 HB1 GLN 22 3.289 8.615 8.615 191 1HG GLN 22 HG2 GLN 22 3.079 11.020 11.020 192 2HG GLN 22 HG1 GLN 22 1.789 11.219 11.219 193 1HE2 GLN 22 HE22 GLN 22 0.896 9.404 9.404 194 2HE2 GLN 22 HE21 GLN 22 2.244 10.409 10.409 195 H ILE 23 HN ILE 23 5.155 7.924 7.924 196 HA ILE 23 HA ILE 23 7.020 7.294 7.294 197 HB ILE 23 HB ILE 23 6.179 6.036 6.036 198 1HG1 ILE 23 HG12 ILE 23 5.755 4.151 4.151 199 2HG1 ILE 23 HG11 ILE 23 6.793 4.778 4.778 200 1HG2 ILE 23 HG22 ILE 23 8.810 5.454 5.454 201 2HG2 ILE 23 HG21 ILE 23 8.038 4.342 4.342 202 3HG2 ILE 23 HG23 ILE 23 8.576 5.928 5.928 203 1HD1 ILE 23 HD13 ILE 23 4.452 6.428 6.428 204 2HD1 ILE 23 HD12 ILE 23 4.162 5.035 5.035 205 3HD1 ILE 23 HD11 ILE 23 5.224 6.335 6.335 206 H ARG 24 HN ARG 24 7.124 8.852 8.852 207 HA ARG 24 HA ARG 24 10.019 8.888 8.888 208 1HB ARG 24 HB2 ARG 24 7.887 9.510 9.510 209 2HB ARG 24 HB1 ARG 24 8.587 11.088 11.088 210 1HG ARG 24 HG2 ARG 24 10.461 8.865 8.865 211 2HG ARG 24 HG1 ARG 24 9.523 9.577 9.577 212 1HD ARG 24 HD2 ARG 24 11.027 11.306 11.306 213 2HD ARG 24 HD1 ARG 24 11.819 10.640 10.640 214 HE ARG 24 HE ARG 24 9.360 11.944 11.944 215 1HH1 ARG 24 HH11 ARG 24 11.598 12.371 12.371 216 2HH1 ARG 24 HH12 ARG 24 12.181 13.948 13.948 217 1HH2 ARG 24 HH21 ARG 24 10.545 14.044 14.044 218 2HH2 ARG 24 HH22 ARG 24 11.586 14.895 14.895 219 H GLU 25 HN GLU 25 7.531 10.989 10.989 220 HA GLU 25 HA GLU 25 9.429 13.114 13.114 221 1HB GLU 25 HB2 GLU 25 6.552 12.783 12.783 222 2HB GLU 25 HB1 GLU 25 7.079 13.422 13.422 223 1HG GLU 25 HG2 GLU 25 6.704 15.310 15.310 224 2HG GLU 25 HG1 GLU 25 8.451 15.126 15.126 225 H LEU 26 HN LEU 26 8.259 10.185 10.185 226 HA LEU 26 HA LEU 26 8.959 10.929 10.929 227 1HB LEU 26 HB2 LEU 26 7.609 8.724 8.724 228 2HB LEU 26 HB1 LEU 26 8.854 8.116 8.116 229 HG LEU 26 HG LEU 26 6.641 8.436 8.436 230 1HD1 LEU 26 HD11 LEU 26 9.218 9.258 9.258 231 2HD1 LEU 26 HD13 LEU 26 8.082 10.467 10.467 232 3HD1 LEU 26 HD12 LEU 26 7.860 8.766 8.766 233 1HD2 LEU 26 HD23 LEU 26 6.502 10.733 10.733 234 2HD2 LEU 26 HD22 LEU 26 5.515 10.418 10.418 235 3HD2 LEU 26 HD21 LEU 26 6.993 11.370 11.370 236 H VAL 27 HN VAL 27 10.384 9.328 9.328 237 HA VAL 27 HA VAL 27 12.758 8.450 8.450 238 HB VAL 27 HB VAL 27 12.153 8.535 8.535 239 1HG1 VAL 27 HG11 VAL 27 14.601 8.611 8.611 240 2HG1 VAL 27 HG13 VAL 27 14.370 7.058 7.058 241 3HG1 VAL 27 HG12 VAL 27 14.133 7.195 7.195 242 1HG2 VAL 27 HG21 VAL 27 11.256 6.814 6.814 243 2HG2 VAL 27 HG23 VAL 27 11.039 6.606 6.606 244 3HG2 VAL 27 HG22 VAL 27 12.447 5.910 5.910 245 H GLU 28 HN GLU 28 11.696 11.152 11.152 246 HA GLU 28 HA GLU 28 14.380 12.295 12.295 247 1HB GLU 28 HB2 GLU 28 12.376 12.679 12.679 248 2HB GLU 28 HB1 GLU 28 11.766 13.775 13.775 249 1HG GLU 28 HG2 GLU 28 13.003 15.297 15.297 250 2HG GLU 28 HG1 GLU 28 14.291 14.689 14.689 251 H LYS 29 HN LYS 29 11.612 12.577 12.577 252 HA LYS 29 HA LYS 29 12.678 14.874 14.874 253 1HB LYS 29 HB2 LYS 29 10.362 12.980 12.980 254 2HB LYS 29 HB1 LYS 29 10.841 14.103 14.103 255 1HG LYS 29 HG2 LYS 29 10.577 15.255 15.255 256 2HG LYS 29 HG1 LYS 29 9.077 14.755 14.755 257 1HD LYS 29 HD2 LYS 29 9.520 16.156 16.156 258 2HD LYS 29 HD1 LYS 29 11.145 16.523 16.523 259 1HE LYS 29 HE2 LYS 29 9.310 17.160 17.160 260 2HE LYS 29 HE1 LYS 29 8.702 17.887 17.887 261 1HZ LYS 29 HZ2 LYS 29 11.440 18.290 18.290 262 2HZ LYS 29 HZ1 LYS 29 10.909 18.668 18.668 263 3HZ LYS 29 HZ3 LYS 29 10.225 19.456 19.456 264 H ASN 30 HN ASN 30 12.705 11.373 11.373 265 HA ASN 30 HA ASN 30 13.873 11.310 11.310 266 1HB ASN 30 HB2 ASN 30 12.627 9.378 9.378 267 2HB ASN 30 HB1 ASN 30 13.838 9.195 9.195 268 1HD2 ASN 30 HD22 ASN 30 14.529 7.523 7.523 269 2HD2 ASN 30 HD21 ASN 30 13.013 8.124 8.124 270 H SER 31 HN SER 31 15.089 11.242 11.242 271 HA SER 31 HA SER 31 17.850 10.788 10.788 272 1HB SER 31 HB2 SER 31 16.469 10.776 10.776 273 2HB SER 31 HB1 SER 31 17.360 12.292 12.292 274 HG SER 31 HG SER 31 18.248 9.758 9.758 275 H GLN 32 HN GLN 32 15.841 13.640 13.640 276 HA GLN 32 HA GLN 32 18.026 15.526 15.526 277 1HB GLN 32 HB2 GLN 32 15.500 15.753 15.753 278 2HB GLN 32 HB1 GLN 32 15.263 16.389 16.389 279 1HG GLN 32 HG2 GLN 32 16.910 18.090 18.090 280 2HG GLN 32 HG1 GLN 32 17.507 17.332 17.332 281 1HE2 GLN 32 HE22 GLN 32 15.292 19.184 19.184 282 2HE2 GLN 32 HE21 GLN 32 16.780 18.380 18.380 283 H LEU 33 HN LEU 33 15.795 13.936 13.936 284 HA LEU 33 HA LEU 33 16.590 15.611 15.611 285 1HB LEU 33 HB2 LEU 33 14.526 13.640 13.640 286 2HB LEU 33 HB1 LEU 33 15.350 13.283 13.283 287 HG LEU 33 HG LEU 33 15.071 15.828 15.828 288 1HD1 LEU 33 HD12 LEU 33 14.031 15.814 15.814 289 2HD1 LEU 33 HD11 LEU 33 12.571 15.731 15.731 290 3HD1 LEU 33 HD13 LEU 33 13.710 17.060 17.060 291 1HD2 LEU 33 HD21 LEU 33 13.813 13.740 13.740 292 2HD2 LEU 33 HD23 LEU 33 13.136 15.347 15.347 293 3HD2 LEU 33 HD22 LEU 33 12.472 14.308 14.308 294 H GLU 34 HN GLU 34 17.670 12.789 12.789 295 HA GLU 34 HA GLU 34 19.127 11.680 11.680 296 1HB GLU 34 HB2 GLU 34 18.298 10.615 10.615 297 2HB GLU 34 HB1 GLU 34 20.001 10.924 10.924 298 1HG GLU 34 HG2 GLU 34 19.930 9.832 9.832 299 2HG GLU 34 HG1 GLU 34 18.804 8.858 8.858 300 H ARG 35 HN ARG 35 19.708 13.778 13.778 301 HA ARG 35 HA ARG 35 22.586 13.976 13.976 302 1HB ARG 35 HB2 ARG 35 21.314 14.288 14.288 303 2HB ARG 35 HB1 ARG 35 21.049 15.930 15.930 304 1HG ARG 35 HG2 ARG 35 23.807 15.057 15.057 305 2HG ARG 35 HG1 ARG 35 23.333 15.014 15.014 306 1HD ARG 35 HD2 ARG 35 22.308 17.416 17.416 307 2HD ARG 35 HD1 ARG 35 24.040 17.291 17.291 308 HE ARG 35 HE ARG 35 23.650 16.687 16.687 309 1HH1 ARG 35 HH21 ARG 35 21.958 19.141 19.141 310 2HH1 ARG 35 HH22 ARG 35 22.748 20.439 20.439 311 1HH2 ARG 35 HH11 ARG 35 25.232 18.425 18.425 312 2HH2 ARG 35 HH12 ARG 35 24.603 20.035 20.035 313 H GLU 36 HN GLU 36 19.631 15.741 15.741 314 HA GLU 36 HA GLU 36 20.951 18.090 18.090 315 1HB GLU 36 HB2 GLU 36 18.215 17.108 17.108 316 2HB GLU 36 HB1 GLU 36 18.445 17.909 17.909 317 1HG GLU 36 HG2 GLU 36 19.586 19.792 19.792 318 2HG GLU 36 HG1 GLU 36 18.913 19.035 19.035 319 H ASN 37 HN ASN 37 19.688 15.054 15.054 320 HA ASN 37 HA ASN 37 20.191 15.722 15.722 321 1HB ASN 37 HB2 ASN 37 18.515 14.033 14.033 322 2HB ASN 37 HB1 ASN 37 19.726 13.056 13.056 323 1HD2 ASN 37 HD22 ASN 37 20.794 11.492 11.492 324 2HD2 ASN 37 HD21 ASN 37 20.779 11.508 11.508 325 H THR 38 HN THR 38 21.940 14.022 14.022 326 HA THR 38 HA THR 38 24.109 13.163 13.163 327 HB THR 38 HB THR 38 23.941 13.495 13.495 328 HG1 THR 38 HG1 THR 38 23.543 11.394 11.394 329 1HG2 THR 38 HG22 THR 38 26.234 13.248 13.248 330 2HG2 THR 38 HG21 THR 38 25.939 11.635 11.635 331 3HG2 THR 38 HG23 THR 38 26.132 13.006 13.006 332 H LEU 39 HN LEU 39 23.308 16.043 16.043 333 HA LEU 39 HA LEU 39 25.964 17.217 17.217 334 1HB LEU 39 HB2 LEU 39 24.027 17.829 17.829 335 2HB LEU 39 HB1 LEU 39 23.372 18.751 18.751 336 HG LEU 39 HG LEU 39 25.824 19.726 19.726 337 1HD1 LEU 39 HD11 LEU 39 25.942 18.085 18.085 338 2HD1 LEU 39 HD13 LEU 39 26.009 19.764 19.764 339 3HD1 LEU 39 HD12 LEU 39 27.189 19.162 19.162 340 1HD2 LEU 39 HD23 LEU 39 23.563 20.831 20.831 341 2HD2 LEU 39 HD22 LEU 39 25.048 21.620 21.620 342 3HD2 LEU 39 HD21 LEU 39 24.115 20.642 20.642 343 H LEU 40 HN LEU 40 22.998 17.434 17.434 344 HA LEU 40 HA LEU 40 24.192 19.359 19.359 345 1HB LEU 40 HB2 LEU 40 21.624 17.764 17.764 346 2HB LEU 40 HB1 LEU 40 22.110 18.722 18.722 347 HG LEU 40 HG LEU 40 21.610 19.721 19.721 348 1HD1 LEU 40 HD11 LEU 40 20.143 19.745 19.745 349 2HD1 LEU 40 HD13 LEU 40 20.166 21.279 21.279 350 3HD1 LEU 40 HD12 LEU 40 19.525 19.833 19.833 351 1HD2 LEU 40 HD23 LEU 40 22.894 21.036 21.036 352 2HD2 LEU 40 HD22 LEU 40 23.487 20.971 20.971 353 3HD2 LEU 40 HD21 LEU 40 22.101 21.983 21.983 354 H LYS 41 HN LYS 41 24.117 15.931 15.931 355 HA LYS 41 HA LYS 41 24.716 15.268 15.268 356 1HB LYS 41 HB2 LYS 41 23.904 13.777 13.777 357 2HB LYS 41 HB1 LYS 41 25.632 13.434 13.434 358 1HG LYS 41 HG2 LYS 41 24.881 13.297 13.297 359 2HG LYS 41 HG1 LYS 41 23.589 12.477 12.477 360 1HD LYS 41 HD2 LYS 41 26.555 11.870 11.870 361 2HD LYS 41 HD1 LYS 41 25.282 10.833 10.833 362 1HE LYS 41 HE2 LYS 41 25.678 11.659 11.659 363 2HE LYS 41 HE1 LYS 41 25.810 10.035 10.035 364 1HZ LYS 41 HZ2 LYS 41 23.381 10.524 10.524 365 2HZ LYS 41 HZ1 LYS 41 23.413 11.643 11.643 366 3HZ LYS 41 HZ3 LYS 41 23.698 9.999 9.999 367 H THR 42 HN THR 42 26.544 15.771 15.771 368 HA THR 42 HA THR 42 29.120 15.250 15.250 369 HB THR 42 HB THR 42 29.786 16.631 16.631 370 HG1 THR 42 HG1 THR 42 28.200 16.740 16.740 371 1HG2 THR 42 HG21 THR 42 28.916 13.787 13.787 372 2HG2 THR 42 HG23 THR 42 29.379 14.332 14.332 373 3HG2 THR 42 HG22 THR 42 30.534 14.428 14.428 374 H LEU 43 HN LEU 43 27.125 18.087 18.087 375 HA LEU 43 HA LEU 43 29.152 20.031 20.031 376 1HB LEU 43 HB2 LEU 43 26.255 20.032 20.032 377 2HB LEU 43 HB1 LEU 43 26.778 21.283 21.283 378 HG LEU 43 HG LEU 43 28.507 22.010 22.010 379 1HD1 LEU 43 HD11 LEU 43 28.625 19.655 19.655 380 2HD1 LEU 43 HD13 LEU 43 27.226 20.145 20.145 381 3HD1 LEU 43 HD12 LEU 43 28.745 21.028 21.028 382 1HD2 LEU 43 HD22 LEU 43 25.617 21.885 21.885 383 2HD2 LEU 43 HD21 LEU 43 26.540 23.267 23.267 384 3HD2 LEU 43 HD23 LEU 43 26.804 22.663 22.663 385 H ALA 44 HN ALA 44 26.693 18.289 18.289 386 HA ALA 44 HA ALA 44 27.515 19.715 19.715 387 1HB ALA 44 HB1 ALA 44 25.073 18.713 18.713 388 2HB ALA 44 HB3 ALA 44 25.600 17.525 17.525 389 3HB ALA 44 HB2 ALA 44 25.445 19.222 19.222 390 H SER 45 HN SER 45 28.860 17.345 17.345 391 HA SER 45 HA SER 45 29.135 15.282 15.282 392 1HB SER 45 HB2 SER 45 29.554 15.391 15.391 393 2HB SER 45 HB1 SER 45 31.183 15.285 15.285 394 HG SER 45 HG SER 45 30.570 13.221 13.221 395 HA PRO 46 HA PRO 46 33.512 17.162 17.162 396 1HB PRO 46 HB2 PRO 46 34.011 19.514 19.514 397 2HB PRO 46 HB1 PRO 46 34.292 17.907 17.907 398 1HG PRO 46 HG2 PRO 46 32.106 19.845 19.845 399 2HG PRO 46 HG1 PRO 46 32.796 18.582 18.582 400 1HD PRO 46 HD2 PRO 46 30.350 18.420 18.420 401 2HD PRO 46 HD1 PRO 46 31.210 17.063 17.063 402 H GLU 47 HN GLU 47 32.564 20.464 20.464 403 HA GLU 47 HA GLU 47 31.771 20.818 20.818 404 1HB GLU 47 HB2 GLU 47 34.159 21.925 21.925 405 2HB GLU 47 HB1 GLU 47 33.249 23.059 23.059 406 1HG GLU 47 HG2 GLU 47 33.513 21.719 21.719 407 2HG GLU 47 HG1 GLU 47 34.045 20.325 20.325 408 H GLN 48 HN GLN 48 29.772 21.678 21.678 409 HA GLN 48 HA GLN 48 29.335 24.204 24.204 410 1HB GLN 48 HB2 GLN 48 29.055 22.091 22.091 411 2HB GLN 48 HB1 GLN 48 27.440 22.122 22.122 412 1HG GLN 48 HG2 GLN 48 26.950 23.751 23.751 413 2HG GLN 48 HG1 GLN 48 27.987 24.805 24.805 414 1HE2 GLN 48 HE22 GLN 48 29.139 24.449 24.449 415 2HE2 GLN 48 HE21 GLN 48 27.573 24.627 24.627 416 H LEU 49 HN LEU 49 29.123 22.784 22.784 417 HA LEU 49 HA LEU 49 26.266 23.342 23.342 418 1HB LEU 49 HB2 LEU 49 28.083 21.266 21.266 419 2HB LEU 49 HB1 LEU 49 26.533 21.640 21.640 420 HG LEU 49 HG LEU 49 26.366 21.159 21.159 421 1HD1 LEU 49 HD11 LEU 49 28.211 19.555 19.555 422 2HD1 LEU 49 HD13 LEU 49 26.974 18.797 18.797 423 3HD1 LEU 49 HD12 LEU 49 26.803 18.802 18.802 424 1HD2 LEU 49 HD23 LEU 49 25.009 20.132 20.132 425 2HD2 LEU 49 HD22 LEU 49 24.389 21.337 21.337 426 3HD2 LEU 49 HD21 LEU 49 24.526 19.651 19.651 427 H GLU 50 HN GLU 50 26.837 22.971 22.971 428 HA GLU 50 HA GLU 50 28.676 25.271 25.271 429 1HB GLU 50 HB2 GLU 50 27.089 25.674 25.674 430 2HB GLU 50 HB1 GLU 50 26.521 26.179 26.179 431 1HG GLU 50 HG2 GLU 50 25.075 24.332 24.332 432 2HG GLU 50 HG1 GLU 50 25.918 23.417 23.417 433 H LYS 51 HN LYS 51 29.408 22.578 22.578 434 HA LYS 51 HA LYS 51 30.374 20.859 20.859 435 1HB LYS 51 HB2 LYS 51 30.764 22.645 22.645 436 2HB LYS 51 HB1 LYS 51 31.871 21.503 21.503 437 1HG LYS 51 HG2 LYS 51 31.030 24.197 24.197 438 2HG LYS 51 HG1 LYS 51 32.630 23.775 23.775 439 1HD LYS 51 HD2 LYS 51 33.209 22.713 22.713 440 2HD LYS 51 HD1 LYS 51 31.629 21.943 21.943 441 1HE LYS 51 HE2 LYS 51 30.708 24.178 24.178 442 2HE LYS 51 HE1 LYS 51 32.366 24.777 24.777 443 1HZ LYS 51 HZ2 LYS 51 32.920 23.037 23.037 444 2HZ LYS 51 HZ1 LYS 51 31.320 22.467 22.467 445 3HZ LYS 51 HZ3 LYS 51 31.657 24.006 24.006 446 H PHE 52 HN PHE 52 29.681 19.203 19.203 447 HA PHE 52 HA PHE 52 27.874 19.578 19.578 448 1HB PHE 52 HB2 PHE 52 26.129 18.185 18.185 449 2HB PHE 52 HB1 PHE 52 26.071 19.948 19.948 450 HD1 PHE 52 HD1 PHE 52 27.319 17.174 17.174 451 HD2 PHE 52 HD2 PHE 52 27.015 21.424 21.424 452 HE1 PHE 52 HE1 PHE 52 28.348 17.496 17.496 453 HE2 PHE 52 HE2 PHE 52 28.036 21.705 21.705 454 HZ PHE 52 HZ PHE 52 28.678 19.794 19.794 455 H GLN 53 HN GLN 53 29.114 17.564 17.564 456 HA GLN 53 HA GLN 53 28.615 15.053 15.053 457 1HB GLN 53 HB2 GLN 53 29.537 15.981 15.981 458 2HB GLN 53 HB1 GLN 53 30.159 14.417 14.417 459 1HG GLN 53 HG2 GLN 53 28.106 13.418 13.418 460 2HG GLN 53 HG1 GLN 53 27.263 14.866 14.866 461 1HE2 GLN 53 HE22 GLN 53 28.407 15.389 15.389 462 2HE2 GLN 53 HE21 GLN 53 29.556 15.164 15.164 463 H SER 54 HN SER 54 30.926 13.660 13.660 464 HA SER 54 HA SER 54 32.815 14.697 14.697 465 1HB SER 54 HB2 SER 54 32.459 12.024 12.024 466 2HB SER 54 HB1 SER 54 33.909 12.396 12.396 467 HG SER 54 HG SER 54 31.979 11.396 11.396 468 H ARG 55 HN ARG 55 32.403 14.826 14.826 469 HA ARG 55 HA ARG 55 35.263 14.696 14.696 470 1HB ARG 55 HB2 ARG 55 34.227 15.789 15.789 471 2HB ARG 55 HB1 ARG 55 34.130 14.060 14.060 472 1HG ARG 55 HG2 ARG 55 31.871 14.191 14.191 473 2HG ARG 55 HG1 ARG 55 31.954 15.936 15.936 474 1HD ARG 55 HD2 ARG 55 30.752 15.459 15.459 475 2HD ARG 55 HD1 ARG 55 32.285 16.250 16.250 476 HE ARG 55 HE ARG 55 33.164 14.054 14.054 477 1HH1 ARG 55 HH21 ARG 55 32.044 11.794 11.794 478 2HH1 ARG 55 HH22 ARG 55 30.635 11.472 11.472 479 1HH2 ARG 55 HH11 ARG 55 30.372 14.723 14.723 480 2HH2 ARG 55 HH12 ARG 55 29.688 13.132 13.132 481 H LEU 56 HN LEU 56 32.752 17.246 17.246 482 HA LEU 56 HA LEU 56 34.862 19.302 19.302 483 1HB LEU 56 HB2 LEU 56 32.224 20.338 20.338 484 2HB LEU 56 HB1 LEU 56 33.233 20.652 20.652 485 HG LEU 56 HG LEU 56 32.430 18.268 18.268 486 1HD1 LEU 56 HD12 LEU 56 31.199 18.166 18.166 487 2HD1 LEU 56 HD11 LEU 56 29.949 19.035 19.035 488 3HD1 LEU 56 HD13 LEU 56 30.471 17.443 17.443 489 1HD2 LEU 56 HD22 LEU 56 31.906 20.599 20.599 490 2HD2 LEU 56 HD21 LEU 56 30.717 19.339 19.339 491 3HD2 LEU 56 HD23 LEU 56 30.418 20.519 20.519 492 H SER 57 HN SER 57 32.001 19.244 19.244 493 HA SER 57 HA SER 57 33.824 19.617 19.617 494 1HB SER 57 HB2 SER 57 32.975 21.817 21.817 495 2HB SER 57 HB1 SER 57 31.329 21.189 21.189 496 HG SER 57 HG SER 57 32.979 21.100 21.100 497 HA PRO 58 HA PRO 58 31.113 16.455 16.455 498 1HB PRO 58 HB2 PRO 58 32.241 16.273 16.273 499 2HB PRO 58 HB1 PRO 58 32.922 15.537 15.537 500 1HG PRO 58 HG2 PRO 58 33.840 17.958 17.958 501 2HG PRO 58 HG1 PRO 58 34.775 16.851 16.851 502 1HD PRO 58 HD2 PRO 58 33.823 19.409 19.409 503 2HD PRO 58 HD1 PRO 58 34.474 18.165 18.165 504 H GLU 59 HN GLU 59 29.107 17.167 17.167 505 HA GLU 59 HA GLU 59 28.488 18.345 18.345 506 1HB GLU 59 HB2 GLU 59 28.655 20.006 20.006 507 2HB GLU 59 HB1 GLU 59 27.103 20.129 20.129 508 1HG GLU 59 HG2 GLU 59 28.066 20.932 20.932 509 2HG GLU 59 HG1 GLU 59 29.651 20.260 20.260 510 H GLU 60 HN GLU 60 25.874 19.182 19.182 511 HA GLU 60 HA GLU 60 23.730 18.232 18.232 512 1HB GLU 60 HB2 GLU 60 25.194 17.539 17.539 513 2HB GLU 60 HB1 GLU 60 23.727 16.613 16.613 514 1HG GLU 60 HG2 GLU 60 23.309 18.696 18.696 515 2HG GLU 60 HG1 GLU 60 22.418 18.652 18.652 516 HA PRO 61 HA PRO 61 25.335 14.259 14.259 517 1HB PRO 61 HB2 PRO 61 24.650 14.825 14.825 518 2HB PRO 61 HB1 PRO 61 26.220 15.238 15.238 519 1HG PRO 61 HG2 PRO 61 23.928 17.028 17.028 520 2HG PRO 61 HG1 PRO 61 25.653 17.412 17.412 521 1HD PRO 61 HD2 PRO 61 23.679 17.958 17.958 522 2HD PRO 61 HD1 PRO 61 25.440 18.065 18.065 523 H ALA 62 HN ALA 62 23.970 12.496 12.496 524 HA ALA 62 HA ALA 62 21.956 11.300 11.300 525 1HB ALA 62 HB2 ALA 62 21.962 12.592 12.592 526 2HB ALA 62 HB1 ALA 62 20.831 13.699 13.699 527 3HB ALA 62 HB3 ALA 62 20.403 12.000 12.000 528 HA PRO 63 HA PRO 63 19.460 12.837 12.837 529 1HB PRO 63 HB2 PRO 63 17.291 11.183 11.183 530 2HB PRO 63 HB1 PRO 63 18.839 10.644 10.644 531 1HG PRO 63 HG2 PRO 63 17.675 10.105 10.105 532 2HG PRO 63 HG1 PRO 63 18.836 9.146 9.146 533 1HD PRO 63 HD2 PRO 63 19.459 10.851 10.851 534 2HD PRO 63 HD1 PRO 63 20.623 10.144 10.144 535 H GLU 64 HN GLU 64 16.706 13.002 13.002 536 HA GLU 64 HA GLU 64 16.165 15.361 15.361 537 1HB GLU 64 HB2 GLU 64 15.164 15.140 15.140 538 2HB GLU 64 HB1 GLU 64 14.360 13.643 13.643 539 1HG GLU 64 HG2 GLU 64 13.571 15.432 15.432 540 2HG GLU 64 HG1 GLU 64 13.572 16.419 16.419 541 H THR 65 HN THR 65 16.459 14.480 14.480 542 HA THR 65 HA THR 65 13.970 13.237 13.237 543 HB THR 65 HB THR 65 15.366 11.301 11.301 544 HG1 THR 65 HG1 THR 65 15.843 12.019 12.019 545 1HG2 THR 65 HG22 THR 65 17.508 12.999 12.999 546 2HG2 THR 65 HG21 THR 65 17.665 11.259 11.259 547 3HG2 THR 65 HG23 THR 65 17.511 12.332 12.332 548 HA PRO 66 HA PRO 66 14.686 16.142 16.142 549 1HB PRO 66 HB2 PRO 66 13.041 15.032 15.032 550 2HB PRO 66 HB1 PRO 66 12.444 15.932 15.932 551 1HG PRO 66 HG2 PRO 66 12.430 12.988 12.988 552 2HG PRO 66 HG1 PRO 66 11.333 13.965 13.965 553 1HD PRO 66 HD2 PRO 66 13.451 12.371 12.371 554 2HD PRO 66 HD1 PRO 66 12.588 13.624 13.624 555 H GLU 67 HN GLU 67 14.957 15.872 15.872 556 HA GLU 67 HA GLU 67 17.060 13.772 13.772 557 1HB GLU 67 HB2 GLU 67 16.885 16.628 16.628 558 2HB GLU 67 HB1 GLU 67 17.857 15.463 15.463 559 1HG GLU 67 HG2 GLU 67 18.950 14.862 14.862 560 2HG GLU 67 HG1 GLU 67 18.175 16.307 16.307 561 H ALA 68 HN ALA 68 14.593 12.871 12.871 562 HA ALA 68 HA ALA 68 14.683 12.281 12.281 563 1HB ALA 68 HB2 ALA 68 13.718 14.564 14.564 564 2HB ALA 68 HB1 ALA 68 12.406 14.052 14.052 565 3HB ALA 68 HB3 ALA 68 12.569 13.344 13.344 566 HA PRO 69 HA PRO 69 12.411 8.922 8.922 567 1HB PRO 69 HB2 PRO 69 11.902 7.610 7.610 568 2HB PRO 69 HB1 PRO 69 13.478 7.593 7.593 569 1HG PRO 69 HG2 PRO 69 12.646 9.069 9.069 570 2HG PRO 69 HG1 PRO 69 14.260 8.531 8.531 571 1HD PRO 69 HD2 PRO 69 13.246 11.171 11.171 572 2HD PRO 69 HD1 PRO 69 14.730 10.551 10.551 573 H GLU 70 HN GLU 70 10.384 9.550 9.550 574 HA GLU 70 HA GLU 70 8.217 9.710 9.710 575 1HB GLU 70 HB2 GLU 70 9.008 12.006 12.006 576 2HB GLU 70 HB1 GLU 70 8.240 11.520 11.520 577 1HG GLU 70 HG2 GLU 70 6.399 10.907 10.907 578 2HG GLU 70 HG1 GLU 70 7.005 12.527 12.527 579 H ALA 71 HN ALA 71 9.002 7.504 7.504 580 HA ALA 71 HA ALA 71 6.911 7.471 7.471 581 1HB ALA 71 HB2 ALA 71 9.433 6.038 6.038 582 2HB ALA 71 HB1 ALA 71 8.125 4.996 4.996 583 3HB ALA 71 HB3 ALA 71 8.621 6.384 6.384 584 HA PRO 72 HA PRO 72 4.219 5.152 5.152 585 1HB PRO 72 HB2 PRO 72 2.499 4.286 4.286 586 2HB PRO 72 HB1 PRO 72 2.499 5.940 5.940 587 1HG PRO 72 HG2 PRO 72 3.523 4.937 4.937 588 2HG PRO 72 HG1 PRO 72 2.922 6.548 6.548 589 1HD PRO 72 HD2 PRO 72 5.642 5.810 5.810 590 2HD PRO 72 HD1 PRO 72 5.031 7.304 7.304 591 H GLY 73 HN GLY 73 3.819 2.932 2.932 592 1HA GLY 73 HA2 GLY 73 3.800 0.585 0.585 593 2HA GLY 73 HA1 GLY 73 5.471 0.992 0.992 594 H GLY 74 HN GLY 74 3.289 0.791 0.791 595 1HA GLY 74 HA2 GLY 74 5.201 0.805 0.805 596 2HA GLY 74 HA1 GLY 74 3.703 -0.122 -0.122 597 H SER 75 HN SER 75 3.848 -2.196 -2.196 598 HA SER 75 HA SER 75 6.563 -3.406 -3.406 599 1HB SER 75 HB2 SER 75 4.840 -4.012 -4.012 600 2HB SER 75 HB1 SER 75 4.115 -5.027 -5.027 601 HG SER 75 HG SER 75 6.586 -5.217 -5.217 602 H ALA 76 HN ALA 76 6.159 -2.676 -2.676 603 HA ALA 76 HA ALA 76 4.440 -4.514 -4.514 604 1HB ALA 76 HB2 ALA 76 6.287 -2.246 -2.246 605 2HB ALA 76 HB1 ALA 76 5.506 -3.271 -3.271 606 3HB ALA 76 HB3 ALA 76 4.528 -2.297 -2.297 607 H VAL 77 HN VAL 77 7.853 -4.087 -4.087 608 HA VAL 77 HA VAL 77 8.750 -6.062 -6.062 609 HB VAL 77 HB VAL 77 10.917 -5.883 -5.883 610 1HG1 VAL 77 HG13 VAL 77 9.468 -3.744 -3.744 611 2HG1 VAL 77 HG12 VAL 77 10.789 -3.160 -3.160 612 3HG1 VAL 77 HG11 VAL 77 11.106 -4.347 -4.347 613 1HG2 VAL 77 HG23 VAL 77 9.564 -5.259 -5.259 614 2HG2 VAL 77 HG22 VAL 77 11.098 -4.439 -4.439 615 3HG2 VAL 77 HG21 VAL 77 9.579 -3.623 -3.623 616 1H ACE 0 HA1 ACE 0 10.634 -6.038 -6.038 617 2H ACE 0 HA2 ACE 0 10.561 -4.366 -4.366 618 3H ACE 0 HA3 ACE 0 11.982 -5.349 -5.349 619 H MET 1 HN MET 1 12.696 -6.451 -6.451 620 HA MET 1 HA MET 1 13.002 -4.110 -4.110 621 1HB MET 1 HB2 MET 1 15.192 -5.249 -5.249 622 2HB MET 1 HB1 MET 1 15.144 -4.547 -4.547 623 1HG MET 1 HG2 MET 1 15.210 -6.586 -6.586 624 2HG MET 1 HG1 MET 1 14.219 -7.357 -7.357 625 1HE MET 1 HE3 MET 1 17.462 -5.927 -5.927 626 2HE MET 1 HE2 MET 1 18.707 -6.530 -6.530 627 3HE MET 1 HE1 MET 1 17.636 -5.236 -5.236 628 H ASP 2 HN ASP 2 10.977 -5.046 -5.046 629 HA ASP 2 HA ASP 2 9.928 -6.286 -6.286 630 1HB ASP 2 HB2 ASP 2 12.759 -6.861 -6.861 631 2HB ASP 2 HB1 ASP 2 11.296 -6.867 -6.867 632 H LEU 3 HN LEU 3 10.802 -7.614 -7.614 633 HA LEU 3 HA LEU 3 10.954 -10.416 -10.416 634 1HB LEU 3 HB2 LEU 3 12.987 -10.051 -10.051 635 2HB LEU 3 HB1 LEU 3 12.173 -9.161 -9.161 636 HG LEU 3 HG LEU 3 11.045 -11.819 -11.819 637 1HD1 LEU 3 HD13 LEU 3 13.796 -11.735 -11.735 638 2HD1 LEU 3 HD12 LEU 3 13.680 -12.202 -12.202 639 3HD1 LEU 3 HD11 LEU 3 12.861 -13.157 -13.157 640 1HD2 LEU 3 HD22 LEU 3 11.004 -10.133 -10.133 641 2HD2 LEU 3 HD21 LEU 3 11.286 -11.824 -11.824 642 3HD2 LEU 3 HD23 LEU 3 12.638 -10.692 -10.692 643 H VAL 4 HN VAL 4 9.396 -8.161 -8.161 644 HA VAL 4 HA VAL 4 7.887 -10.102 -10.102 645 HB VAL 4 HB VAL 4 6.648 -8.255 -8.255 646 1HG1 VAL 4 HG12 VAL 4 9.223 -8.260 -8.260 647 2HG1 VAL 4 HG11 VAL 4 9.220 -6.921 -6.921 648 3HG1 VAL 4 HG13 VAL 4 8.354 -6.774 -6.774 649 1HG2 VAL 4 HG21 VAL 4 7.514 -6.770 -6.770 650 2HG2 VAL 4 HG23 VAL 4 5.886 -7.353 -7.353 651 3HG2 VAL 4 HG22 VAL 4 6.590 -6.063 -6.063 652 H LYS 5 HN LYS 5 7.423 -8.561 -8.561 653 HA LYS 5 HA LYS 5 4.672 -9.601 -9.601 654 1HB LYS 5 HB2 LYS 5 5.835 -7.404 -7.404 655 2HB LYS 5 HB1 LYS 5 6.118 -8.539 -8.539 656 1HG LYS 5 HG2 LYS 5 3.771 -9.010 -9.010 657 2HG LYS 5 HG1 LYS 5 3.406 -8.145 -8.145 658 1HD LYS 5 HD2 LYS 5 3.594 -6.078 -6.078 659 2HD LYS 5 HD1 LYS 5 4.824 -6.617 -6.617 660 1HE LYS 5 HE2 LYS 5 2.616 -6.107 -6.107 661 2HE LYS 5 HE1 LYS 5 3.154 -7.768 -7.768 662 1HZ LYS 5 HZ3 LYS 5 1.629 -7.445 -7.445 663 2HZ LYS 5 HZ2 LYS 5 0.749 -7.017 -7.017 664 3HZ LYS 5 HZ1 LYS 5 1.438 -8.565 -8.565 665 H ASN 6 HN ASN 6 7.110 -11.380 -11.380 666 HA ASN 6 HA ASN 6 6.893 -12.876 -12.876 667 1HB ASN 6 HB2 ASN 6 9.079 -12.319 -12.319 668 2HB ASN 6 HB1 ASN 6 8.960 -14.016 -14.016 669 1HD2 ASN 6 HD22 ASN 6 10.225 -13.458 -13.458 670 2HD2 ASN 6 HD21 ASN 6 9.740 -14.583 -14.583 671 H HIS 7 HN HIS 7 7.336 -13.471 -13.471 672 HA HIS 7 HA HIS 7 6.156 -16.142 -16.142 673 1HB HIS 7 HB2 HIS 7 6.410 -16.111 -16.111 674 2HB HIS 7 HB1 HIS 7 7.889 -16.085 -16.085 675 HD1 HIS 7 HD1 HIS 7 9.103 -14.884 -14.884 676 HD2 HIS 7 HD2 HIS 7 5.982 -12.713 -12.713 677 HE1 HIS 7 HE1 HIS 7 9.328 -12.515 -12.515 678 H LEU 8 HN LEU 8 4.975 -13.005 -13.005 679 HA LEU 8 HA LEU 8 2.940 -12.825 -12.825 680 1HB LEU 8 HB2 LEU 8 1.449 -12.257 -12.257 681 2HB LEU 8 HB1 LEU 8 2.623 -11.157 -11.157 682 HG LEU 8 HG LEU 8 4.338 -11.862 -11.862 683 1HD1 LEU 8 HD11 LEU 8 2.395 -14.073 -14.073 684 2HD1 LEU 8 HD13 LEU 8 3.428 -13.576 -13.576 685 3HD1 LEU 8 HD12 LEU 8 4.145 -14.143 -14.143 686 1HD2 LEU 8 HD22 LEU 8 1.660 -11.101 -11.101 687 2HD2 LEU 8 HD21 LEU 8 3.205 -10.264 -10.264 688 3HD2 LEU 8 HD23 LEU 8 2.849 -11.643 -11.643 689 H MET 9 HN MET 9 2.872 -15.472 -15.472 690 HA MET 9 HA MET 9 0.090 -16.054 -16.054 691 1HB MET 9 HB2 MET 9 1.937 -17.135 -17.135 692 2HB MET 9 HB1 MET 9 1.839 -18.393 -18.393 693 1HG MET 9 HG2 MET 9 -0.600 -17.164 -17.164 694 2HG MET 9 HG1 MET 9 0.176 -18.636 -18.636 695 1HE MET 9 HE2 MET 9 0.425 -20.510 -20.510 696 2HE MET 9 HE1 MET 9 0.384 -20.979 -20.979 697 3HE MET 9 HE3 MET 9 -1.009 -21.295 -21.295 698 H TYR 10 HN TYR 10 3.146 -17.336 -17.336 699 HA TYR 10 HA TYR 10 2.441 -19.034 -19.034 700 1HB TYR 10 HB2 TYR 10 4.563 -18.583 -18.583 701 2HB TYR 10 HB1 TYR 10 4.757 -18.189 -18.189 702 HD1 TYR 10 HD1 TYR 10 3.072 -15.491 -15.491 703 HD2 TYR 10 HD2 TYR 10 6.447 -17.151 -17.151 704 HE1 TYR 10 HE1 TYR 10 3.797 -13.216 -13.216 705 HE2 TYR 10 HE2 TYR 10 7.192 -14.862 -14.862 706 HH TYR 10 HH TYR 10 5.727 -12.460 -12.460 707 H ALA 11 HN ALA 11 1.559 -15.698 -15.698 708 HA ALA 11 HA ALA 11 0.263 -15.858 -15.858 709 1HB ALA 11 HB3 ALA 11 2.884 -15.315 -15.315 710 2HB ALA 11 HB2 ALA 11 2.320 -13.694 -13.694 711 3HB ALA 11 HB1 ALA 11 1.700 -14.506 -14.506 712 H VAL 12 HN VAL 12 1.617 -13.805 -13.805 713 HA VAL 12 HA VAL 12 0.525 -12.341 -12.341 714 HB VAL 12 HB VAL 12 -1.667 -13.553 -13.553 715 1HG1 VAL 12 HG12 VAL 12 -1.422 -11.755 -11.755 716 2HG1 VAL 12 HG11 VAL 12 -2.352 -10.780 -10.780 717 3HG1 VAL 12 HG13 VAL 12 -2.992 -12.322 -12.322 718 1HG2 VAL 12 HG21 VAL 12 -1.074 -11.851 -11.851 719 2HG2 VAL 12 HG23 VAL 12 -2.698 -12.471 -12.471 720 3HG2 VAL 12 HG22 VAL 12 -2.240 -10.874 -10.874 721 H ARG 13 HN ARG 13 2.232 -11.852 -11.852 722 HA ARG 13 HA ARG 13 1.672 -9.744 -9.744 723 1HB ARG 13 HB2 ARG 13 3.944 -11.032 -11.032 724 2HB ARG 13 HB1 ARG 13 4.214 -9.486 -9.486 725 1HG ARG 13 HG2 ARG 13 4.330 -8.322 -8.322 726 2HG ARG 13 HG1 ARG 13 3.238 -9.418 -9.418 727 1HD ARG 13 HD2 ARG 13 4.928 -10.870 -10.870 728 2HD ARG 13 HD1 ARG 13 5.850 -10.536 -10.536 729 HE ARG 13 HE ARG 13 6.819 -8.619 -8.619 730 1HH1 ARG 13 HH11 ARG 13 4.278 -7.906 -7.906 731 2HH1 ARG 13 HH12 ARG 13 4.807 -8.182 -8.182 732 1HH2 ARG 13 HH21 ARG 13 7.604 -10.002 -10.002 733 2HH2 ARG 13 HH22 ARG 13 6.686 -9.368 -9.368 734 H GLU 14 HN GLU 14 2.438 -7.396 -7.396 735 HA GLU 14 HA GLU 14 2.698 -5.458 -5.458 736 1HB GLU 14 HB2 GLU 14 2.620 -6.988 -6.988 737 2HB GLU 14 HB1 GLU 14 0.864 -6.823 -6.823 738 1HG GLU 14 HG2 GLU 14 1.331 -5.042 -5.042 739 2HG GLU 14 HG1 GLU 14 1.505 -4.229 -4.229 740 H GLU 15 HN GLU 15 0.177 -7.014 -7.014 741 HA GLU 15 HA GLU 15 -2.089 -5.421 -5.421 742 1HB GLU 15 HB2 GLU 15 -1.317 -6.724 -6.724 743 2HB GLU 15 HB1 GLU 15 -2.907 -6.042 -6.042 744 1HG GLU 15 HG2 GLU 15 -2.935 -7.580 -7.580 745 2HG GLU 15 HG1 GLU 15 -1.568 -8.408 -8.408 746 H VAL 16 HN VAL 16 -2.951 -4.107 -4.107 747 HA VAL 16 HA VAL 16 -1.408 -1.659 -1.659 748 HB VAL 16 HB VAL 16 -3.552 -2.364 -2.364 749 1HG1 VAL 16 HG12 VAL 16 -2.130 -0.248 -0.248 750 2HG1 VAL 16 HG11 VAL 16 -2.882 0.297 0.297 751 3HG1 VAL 16 HG13 VAL 16 -3.874 0.001 0.001 752 1HG2 VAL 16 HG22 VAL 16 -3.752 -2.271 -2.271 753 2HG2 VAL 16 HG21 VAL 16 -5.053 -2.459 -2.459 754 3HG2 VAL 16 HG23 VAL 16 -4.565 -0.847 -0.847 755 H GLU 17 HN GLU 17 -0.863 -4.515 -4.515 756 HA GLU 17 HA GLU 17 0.030 -3.439 -3.439 757 1HB GLU 17 HB2 GLU 17 0.082 -6.078 -6.078 758 2HB GLU 17 HB1 GLU 17 1.311 -5.805 -5.805 759 1HG GLU 17 HG2 GLU 17 -0.234 -5.661 -5.661 760 2HG GLU 17 HG1 GLU 17 -1.500 -5.036 -5.036 761 H ILE 18 HN ILE 18 1.513 -4.107 -4.107 762 HA ILE 18 HA ILE 18 4.236 -3.758 -3.758 763 HB ILE 18 HB ILE 18 4.812 -3.647 -3.647 764 1HG1 ILE 18 HG12 ILE 18 1.972 -4.026 -4.026 765 2HG1 ILE 18 HG11 ILE 18 2.448 -2.390 -2.390 766 1HG2 ILE 18 HG22 ILE 18 4.149 -5.828 -5.828 767 2HG2 ILE 18 HG21 ILE 18 2.637 -5.716 -5.716 768 3HG2 ILE 18 HG23 ILE 18 4.169 -5.860 -5.860 769 1HD1 ILE 18 HD12 ILE 18 4.028 -4.061 -4.061 770 2HD1 ILE 18 HD11 ILE 18 2.734 -2.973 -2.973 771 3HD1 ILE 18 HD13 ILE 18 4.167 -2.329 -2.329 772 H LEU 19 HN LEU 19 1.677 -1.626 -1.626 773 HA LEU 19 HA LEU 19 3.519 0.665 0.665 774 1HB LEU 19 HB2 LEU 19 0.823 0.032 0.032 775 2HB LEU 19 HB1 LEU 19 0.844 1.568 1.568 776 HG LEU 19 HG LEU 19 2.655 0.835 0.835 777 1HD1 LEU 19 HD13 LEU 19 -0.025 1.899 1.899 778 2HD1 LEU 19 HD12 LEU 19 1.067 3.116 3.116 779 3HD1 LEU 19 HD11 LEU 19 0.948 1.529 1.529 780 1HD2 LEU 19 HD22 LEU 19 2.801 2.867 2.867 781 2HD2 LEU 19 HD21 LEU 19 3.954 2.511 2.511 782 3HD2 LEU 19 HD23 LEU 19 2.611 3.615 3.615 783 H LYS 20 HN LYS 20 1.211 -0.668 -0.668 784 HA LYS 20 HA LYS 20 1.205 1.673 1.673 785 1HB LYS 20 HB2 LYS 20 -0.060 -0.970 -0.970 786 2HB LYS 20 HB1 LYS 20 0.456 -0.504 -0.504 787 1HG LYS 20 HG2 LYS 20 -0.762 1.750 1.750 788 2HG LYS 20 HG1 LYS 20 -1.856 0.365 0.365 789 1HD LYS 20 HD2 LYS 20 -0.443 1.411 1.411 790 2HD LYS 20 HD1 LYS 20 -2.113 1.785 1.785 791 1HE LYS 20 HE2 LYS 20 -2.505 -0.742 -0.742 792 2HE LYS 20 HE1 LYS 20 -0.937 -0.911 -0.911 793 1HZ LYS 20 HZ1 LYS 20 -2.197 0.998 0.998 794 2HZ LYS 20 HZ3 LYS 20 -3.450 -0.085 -0.085 795 3HZ LYS 20 HZ2 LYS 20 -2.052 -0.641 -0.641 796 H GLU 21 HN GLU 21 3.063 -1.272 -1.272 797 HA GLU 21 HA GLU 21 4.437 -0.955 -0.955 798 1HB GLU 21 HB2 GLU 21 4.067 -3.100 -3.100 799 2HB GLU 21 HB1 GLU 21 5.672 -2.596 -2.596 800 1HG GLU 21 HG2 GLU 21 6.357 -3.859 -3.859 801 2HG GLU 21 HG1 GLU 21 5.980 -2.396 -2.396 802 H GLN 22 HN GLN 22 4.858 0.057 0.057 803 HA GLN 22 HA GLN 22 7.652 0.830 0.830 804 1HB GLN 22 HB2 GLN 22 5.661 0.800 0.800 805 2HB GLN 22 HB1 GLN 22 6.502 2.350 2.350 806 1HG GLN 22 HG2 GLN 22 7.948 1.117 1.117 807 2HG GLN 22 HG1 GLN 22 8.645 0.820 0.820 808 1HE2 GLN 22 HE22 GLN 22 7.123 -2.273 -2.273 809 2HE2 GLN 22 HE21 GLN 22 7.254 -0.713 -0.713 810 H ILE 23 HN ILE 23 4.501 2.449 2.449 811 HA ILE 23 HA ILE 23 5.657 5.064 5.064 812 HB ILE 23 HB ILE 23 3.439 4.846 4.846 813 1HG1 ILE 23 HG12 ILE 23 3.139 6.018 6.018 814 2HG1 ILE 23 HG11 ILE 23 4.051 6.812 6.812 815 1HG2 ILE 23 HG23 ILE 23 2.849 2.751 2.751 816 2HG2 ILE 23 HG22 ILE 23 2.468 3.813 3.813 817 3HG2 ILE 23 HG21 ILE 23 1.554 3.937 3.937 818 1HD1 ILE 23 HD13 ILE 23 1.710 6.208 6.208 819 2HD1 ILE 23 HD12 ILE 23 1.134 6.541 6.541 820 3HD1 ILE 23 HD11 ILE 23 2.056 7.762 7.762 821 H ARG 24 HN ARG 24 4.609 2.289 2.289 822 HA ARG 24 HA ARG 24 4.488 3.704 3.704 823 1HB ARG 24 HB2 ARG 24 3.174 1.677 1.677 824 2HB ARG 24 HB1 ARG 24 4.617 0.752 0.752 825 1HG ARG 24 HG2 ARG 24 5.537 1.066 1.066 826 2HG ARG 24 HG1 ARG 24 4.232 2.172 2.172 827 1HD ARG 24 HD2 ARG 24 3.440 -0.532 -0.532 828 2HD ARG 24 HD1 ARG 24 4.162 -0.438 -0.438 829 HE ARG 24 HE ARG 24 1.860 1.331 1.331 830 1HH1 ARG 24 HH21 ARG 24 3.648 -0.018 -0.018 831 2HH1 ARG 24 HH22 ARG 24 2.295 -0.563 -0.563 832 1HH2 ARG 24 HH11 ARG 24 -0.030 0.121 0.121 833 2HH2 ARG 24 HH12 ARG 24 0.212 -0.484 -0.484 834 H GLU 25 HN GLU 25 6.862 1.769 1.769 835 HA GLU 25 HA GLU 25 8.811 1.840 1.840 836 1HB GLU 25 HB2 GLU 25 8.589 0.121 0.121 837 2HB GLU 25 HB1 GLU 25 9.532 1.318 1.318 838 1HG GLU 25 HG2 GLU 25 11.167 1.281 1.281 839 2HG GLU 25 HG1 GLU 25 10.313 -0.161 -0.161 840 H LEU 26 HN LEU 26 7.966 3.735 3.735 841 HA LEU 26 HA LEU 26 10.405 5.339 5.339 842 1HB LEU 26 HB2 LEU 26 7.853 5.251 5.251 843 2HB LEU 26 HB1 LEU 26 8.579 6.849 6.849 844 HG LEU 26 HG LEU 26 10.654 6.081 6.081 845 1HD1 LEU 26 HD11 LEU 26 9.991 3.617 3.617 846 2HD1 LEU 26 HD13 LEU 26 9.705 3.377 3.377 847 3HD1 LEU 26 HD12 LEU 26 11.290 3.900 3.900 848 1HD2 LEU 26 HD21 LEU 26 8.726 6.633 6.633 849 2HD2 LEU 26 HD23 LEU 26 9.895 5.520 5.520 850 3HD2 LEU 26 HD22 LEU 26 8.364 4.910 4.910 851 H VAL 27 HN VAL 27 7.200 5.477 5.477 852 HA VAL 27 HA VAL 27 7.574 8.209 8.209 853 HB VAL 27 HB VAL 27 5.426 6.118 6.118 854 1HG1 VAL 27 HG12 VAL 27 6.116 8.371 8.371 855 2HG1 VAL 27 HG11 VAL 27 4.623 8.762 8.762 856 3HG1 VAL 27 HG13 VAL 27 4.710 7.317 7.317 857 1HG2 VAL 27 HG22 VAL 27 5.871 7.703 7.703 858 2HG2 VAL 27 HG21 VAL 27 4.275 7.144 7.144 859 3HG2 VAL 27 HG23 VAL 27 4.833 8.751 8.751 860 H GLU 28 HN GLU 28 8.050 4.926 4.926 861 HA GLU 28 HA GLU 28 8.317 5.609 5.609 862 1HB GLU 28 HB2 GLU 28 7.649 3.329 3.329 863 2HB GLU 28 HB1 GLU 28 9.178 3.129 3.129 864 1HG GLU 28 HG2 GLU 28 10.322 3.641 3.641 865 2HG GLU 28 HG1 GLU 28 8.737 3.416 3.416 866 H LYS 29 HN LYS 29 10.420 5.138 5.138 867 HA LYS 29 HA LYS 29 12.885 5.440 5.440 868 1HB LYS 29 HB2 LYS 29 12.114 4.921 4.921 869 2HB LYS 29 HB1 LYS 29 13.388 6.138 6.138 870 1HG LYS 29 HG2 LYS 29 14.863 4.464 4.464 871 2HG LYS 29 HG1 LYS 29 14.116 4.183 4.183 872 1HD LYS 29 HD2 LYS 29 12.492 2.646 2.646 873 2HD LYS 29 HD1 LYS 29 13.216 2.936 2.936 874 1HE LYS 29 HE2 LYS 29 15.408 2.112 2.112 875 2HE LYS 29 HE1 LYS 29 14.527 1.632 1.632 876 1HZ LYS 29 HZ1 LYS 29 13.009 0.410 0.410 877 2HZ LYS 29 HZ3 LYS 29 14.297 0.569 0.569 878 3HZ LYS 29 HZ2 LYS 29 14.521 -0.273 -0.273 879 H ASN 30 HN ASN 30 10.803 7.539 7.539 880 HA ASN 30 HA ASN 30 12.455 9.892 9.892 881 1HB ASN 30 HB2 ASN 30 10.577 9.554 9.554 882 2HB ASN 30 HB1 ASN 30 9.445 9.821 9.821 883 1HD2 ASN 30 HD22 ASN 30 11.881 13.007 13.007 884 2HD2 ASN 30 HD21 ASN 30 12.533 11.440 11.440 885 H SER 31 HN SER 31 9.971 8.356 8.356 886 HA SER 31 HA SER 31 9.534 10.548 10.548 887 1HB SER 31 HB2 SER 31 8.061 8.470 8.470 888 2HB SER 31 HB1 SER 31 9.261 7.607 7.607 889 HG SER 31 HG SER 31 7.440 9.579 9.579 890 H GLN 32 HN GLN 32 11.705 7.726 7.726 891 HA GLN 32 HA GLN 32 12.872 8.318 8.318 892 1HB GLN 32 HB2 GLN 32 13.029 6.086 6.086 893 2HB GLN 32 HB1 GLN 32 14.133 6.821 6.821 894 1HG GLN 32 HG2 GLN 32 15.585 5.878 5.878 895 2HG GLN 32 HG1 GLN 32 15.486 7.568 7.568 896 1HE2 GLN 32 HE22 GLN 32 13.318 4.858 4.858 897 2HE2 GLN 32 HE21 GLN 32 13.472 4.609 4.609 898 H LEU 33 HN LEU 33 13.388 9.394 9.394 899 HA LEU 33 HA LEU 33 15.946 10.690 10.690 900 1HB LEU 33 HB2 LEU 33 14.438 10.023 10.023 901 2HB LEU 33 HB1 LEU 33 14.558 11.783 11.783 902 HG LEU 33 HG LEU 33 16.476 10.834 10.834 903 1HD1 LEU 33 HD12 LEU 33 16.734 12.859 12.859 904 2HD1 LEU 33 HD11 LEU 33 17.366 11.777 11.777 905 3HD1 LEU 33 HD13 LEU 33 18.226 11.966 11.966 906 1HD2 LEU 33 HD22 LEU 33 16.396 8.986 8.986 907 2HD2 LEU 33 HD21 LEU 33 17.154 8.786 8.786 908 3HD2 LEU 33 HD23 LEU 33 18.017 9.619 9.619 909 H GLU 34 HN GLU 34 12.577 11.465 11.465 910 HA GLU 34 HA GLU 34 13.022 14.363 14.363 911 1HB GLU 34 HB2 GLU 34 10.837 12.887 12.887 912 2HB GLU 34 HB1 GLU 34 10.512 13.205 13.205 913 1HG GLU 34 HG2 GLU 34 9.806 15.266 15.266 914 2HG GLU 34 HG1 GLU 34 11.445 15.641 15.641 915 H ARG 35 HN ARG 35 12.599 11.687 11.687 916 HA ARG 35 HA ARG 35 12.484 13.431 13.431 917 1HB ARG 35 HB2 ARG 35 11.432 11.167 11.167 918 2HB ARG 35 HB1 ARG 35 13.039 10.452 10.452 919 1HG ARG 35 HG2 ARG 35 12.844 12.390 12.390 920 2HG ARG 35 HG1 ARG 35 11.752 11.019 11.019 921 1HD ARG 35 HD2 ARG 35 14.401 10.209 10.209 922 2HD ARG 35 HD1 ARG 35 14.459 11.031 11.031 923 HE ARG 35 HE ARG 35 13.438 8.383 8.383 924 1HH1 ARG 35 HH11 ARG 35 13.441 11.155 11.155 925 2HH1 ARG 35 HH12 ARG 35 12.375 10.481 10.481 926 1HH2 ARG 35 HH21 ARG 35 11.795 7.570 7.570 927 2HH2 ARG 35 HH22 ARG 35 11.440 8.454 8.454 928 H GLU 36 HN GLU 36 14.924 11.665 11.665 929 HA GLU 36 HA GLU 36 17.016 12.168 12.168 930 1HB GLU 36 HB2 GLU 36 17.236 10.166 10.166 931 2HB GLU 36 HB1 GLU 36 17.094 11.093 11.093 932 1HG GLU 36 HG2 GLU 36 19.271 11.724 11.724 933 2HG GLU 36 HG1 GLU 36 19.221 12.062 12.062 934 H ASN 37 HN ASN 37 15.936 13.536 13.536 935 HA ASN 37 HA ASN 37 18.146 15.414 15.414 936 1HB ASN 37 HB2 ASN 37 16.821 14.645 14.645 937 2HB ASN 37 HB1 ASN 37 15.428 15.523 15.523 938 1HD2 ASN 37 HD22 ASN 37 17.065 17.872 17.872 939 2HD2 ASN 37 HD21 ASN 37 16.185 16.424 16.424 940 H THR 38 HN THR 38 14.911 15.445 15.445 941 HA THR 38 HA THR 38 14.880 18.310 18.310 942 HB THR 38 HB THR 38 13.287 16.081 16.081 943 HG1 THR 38 HG1 THR 38 12.366 17.868 17.868 944 1HG2 THR 38 HG21 THR 38 13.478 18.919 18.919 945 2HG2 THR 38 HG23 THR 38 11.858 18.508 18.508 946 3HG2 THR 38 HG22 THR 38 12.531 17.700 17.700 947 H LEU 39 HN LEU 39 15.792 15.422 15.422 948 HA LEU 39 HA LEU 39 16.335 16.847 16.847 949 1HB LEU 39 HB2 LEU 39 16.081 14.207 14.207 950 2HB LEU 39 HB1 LEU 39 17.837 14.351 14.351 951 HG LEU 39 HG LEU 39 16.340 15.686 15.686 952 1HD1 LEU 39 HD11 LEU 39 16.459 12.667 12.667 953 2HD1 LEU 39 HD13 LEU 39 16.025 13.524 13.524 954 3HD1 LEU 39 HD12 LEU 39 15.000 13.656 13.656 955 1HD2 LEU 39 HD22 LEU 39 18.956 14.945 14.945 956 2HD2 LEU 39 HD21 LEU 39 18.334 15.415 15.415 957 3HD2 LEU 39 HD23 LEU 39 18.425 13.710 13.710 958 H LEU 40 HN LEU 40 18.183 15.989 15.989 959 HA LEU 40 HA LEU 40 20.737 16.857 16.857 960 1HB LEU 40 HB2 LEU 40 19.808 15.537 15.537 961 2HB LEU 40 HB1 LEU 40 20.834 16.900 16.900 962 HG LEU 40 HG LEU 40 22.636 16.090 16.090 963 1HD1 LEU 40 HD11 LEU 40 20.451 14.447 14.447 964 2HD1 LEU 40 HD13 LEU 40 22.012 13.640 13.640 965 3HD1 LEU 40 HD12 LEU 40 21.875 15.131 15.131 966 1HD2 LEU 40 HD21 LEU 40 21.304 14.005 14.005 967 2HD2 LEU 40 HD23 LEU 40 22.689 15.027 15.027 968 3HD2 LEU 40 HD22 LEU 40 22.862 13.704 13.704 969 H LYS 41 HN LYS 41 18.093 18.300 18.300 970 HA LYS 41 HA LYS 41 19.562 20.687 20.687 971 1HB LYS 41 HB2 LYS 41 17.368 19.693 19.693 972 2HB LYS 41 HB1 LYS 41 16.566 20.564 20.564 973 1HG LYS 41 HG2 LYS 41 17.779 22.644 22.644 974 2HG LYS 41 HG1 LYS 41 18.357 21.740 21.740 975 1HD LYS 41 HD2 LYS 41 15.996 21.260 21.260 976 2HD LYS 41 HD1 LYS 41 15.458 22.258 22.258 977 1HE LYS 41 HE2 LYS 41 15.414 23.694 23.694 978 2HE LYS 41 HE1 LYS 41 16.869 24.137 24.137 979 1HZ LYS 41 HZ2 LYS 41 16.846 22.193 22.193 980 2HZ LYS 41 HZ1 LYS 41 17.195 23.845 23.845 981 3HZ LYS 41 HZ3 LYS 41 18.204 22.872 22.872 982 H THR 42 HN THR 42 17.528 19.693 19.693 983 HA THR 42 HA THR 42 17.511 22.379 22.379 984 HB THR 42 HB THR 42 16.633 19.680 19.680 985 HG1 THR 42 HG1 THR 42 14.662 20.358 20.358 986 1HG2 THR 42 HG23 THR 42 17.156 22.184 22.184 987 2HG2 THR 42 HG22 THR 42 15.450 21.753 21.753 988 3HG2 THR 42 HG21 THR 42 16.684 20.626 20.626 989 H LEU 43 HN LEU 43 19.360 19.405 19.405 990 HA LEU 43 HA LEU 43 20.734 20.143 20.143 991 1HB LEU 43 HB2 LEU 43 20.665 17.890 17.890 992 2HB LEU 43 HB1 LEU 43 22.337 18.445 18.445 993 HG LEU 43 HG LEU 43 21.187 18.532 18.532 994 1HD1 LEU 43 HD12 LEU 43 20.184 16.425 16.425 995 2HD1 LEU 43 HD11 LEU 43 21.587 15.714 15.714 996 3HD1 LEU 43 HD13 LEU 43 20.310 16.460 16.460 997 1HD2 LEU 43 HD21 LEU 43 23.573 17.371 17.371 998 2HD2 LEU 43 HD23 LEU 43 23.518 18.560 18.560 999 3HD2 LEU 43 HD22 LEU 43 23.213 16.857 16.857 1000 H ALA 44 HN ALA 44 21.798 20.108 20.108 1001 HA ALA 44 HA ALA 44 24.185 21.649 21.649 1002 1HB ALA 44 HB3 ALA 44 23.850 20.057 20.057 1003 2HB ALA 44 HB2 ALA 44 22.866 21.321 21.321 1004 3HB ALA 44 HB1 ALA 44 24.570 21.617 21.617 1005 H SER 45 HN SER 45 20.942 22.394 22.394 1006 HA SER 45 HA SER 45 21.615 25.295 25.295 1007 1HB SER 45 HB2 SER 45 19.946 23.883 23.883 1008 2HB SER 45 HB1 SER 45 19.754 25.603 25.603 1009 HG SER 45 HG SER 45 22.318 24.530 24.530 1010 HA PRO 46 HA PRO 46 18.213 24.288 24.288 1011 1HB PRO 46 HB2 PRO 46 19.215 25.863 25.863 1012 2HB PRO 46 HB1 PRO 46 19.673 24.167 24.167 1013 1HG PRO 46 HG2 PRO 46 21.232 26.640 26.640 1014 2HG PRO 46 HG1 PRO 46 21.816 25.016 25.016 1015 1HD PRO 46 HD2 PRO 46 21.721 26.127 26.127 1016 2HD PRO 46 HD1 PRO 46 21.930 24.404 24.404 1017 H GLU 47 HN GLU 47 19.610 27.209 27.209 1018 HA GLU 47 HA GLU 47 17.502 28.974 28.974 1019 1HB GLU 47 HB2 GLU 47 19.866 29.266 29.266 1020 2HB GLU 47 HB1 GLU 47 18.604 30.498 30.498 1021 1HG GLU 47 HG2 GLU 47 18.972 30.151 30.151 1022 2HG GLU 47 HG1 GLU 47 20.608 29.910 29.910 1023 H GLN 48 HN GLN 48 15.756 27.467 27.467 1024 HA GLN 48 HA GLN 48 14.621 28.639 28.639 1025 1HB GLN 48 HB2 GLN 48 16.555 26.930 26.930 1026 2HB GLN 48 HB1 GLN 48 15.262 25.762 25.762 1027 1HG GLN 48 HG2 GLN 48 15.182 26.519 26.519 1028 2HG GLN 48 HG1 GLN 48 13.768 27.130 27.130 1029 1HE2 GLN 48 HE22 GLN 48 16.753 29.908 29.908 1030 2HE2 GLN 48 HE21 GLN 48 17.158 28.352 28.352 1031 H LEU 49 HN LEU 49 13.537 28.512 28.512 1032 HA LEU 49 HA LEU 49 11.206 26.982 26.982 1033 1HB LEU 49 HB2 LEU 49 12.285 24.928 24.928 1034 2HB LEU 49 HB1 LEU 49 13.569 25.547 25.547 1035 HG LEU 49 HG LEU 49 10.770 25.576 25.576 1036 1HD1 LEU 49 HD11 LEU 49 11.099 23.304 23.304 1037 2HD1 LEU 49 HD13 LEU 49 12.600 23.178 23.178 1038 3HD1 LEU 49 HD12 LEU 49 11.065 23.292 23.292 1039 1HD2 LEU 49 HD22 LEU 49 13.365 26.096 26.096 1040 2HD2 LEU 49 HD21 LEU 49 11.817 26.229 26.229 1041 3HD2 LEU 49 HD23 LEU 49 12.707 24.707 24.707 1042 H GLU 50 HN GLU 50 13.668 28.599 28.599 1043 HA GLU 50 HA GLU 50 12.697 28.713 28.713 1044 1HB GLU 50 HB2 GLU 50 13.311 31.241 31.241 1045 2HB GLU 50 HB1 GLU 50 13.506 30.982 30.982 1046 1HG GLU 50 HG2 GLU 50 15.047 28.968 28.968 1047 2HG GLU 50 HG1 GLU 50 15.226 30.083 30.083 1048 H LYS 51 HN LYS 51 11.280 29.971 29.971 1049 HA LYS 51 HA LYS 51 9.314 31.669 31.669 1050 1HB LYS 51 HB2 LYS 51 9.494 30.074 30.074 1051 2HB LYS 51 HB1 LYS 51 8.797 28.817 28.817 1052 1HG LYS 51 HG2 LYS 51 6.752 30.219 30.219 1053 2HG LYS 51 HG1 LYS 51 7.441 31.393 31.393 1054 1HD LYS 51 HD2 LYS 51 5.820 29.592 29.592 1055 2HD LYS 51 HD1 LYS 51 7.319 29.909 29.909 1056 1HE LYS 51 HE2 LYS 51 7.293 27.795 27.795 1057 2HE LYS 51 HE1 LYS 51 6.618 27.418 27.418 1058 1HZ LYS 51 HZ3 LYS 51 9.099 28.775 28.775 1059 2HZ LYS 51 HZ2 LYS 51 9.277 27.393 27.393 1060 3HZ LYS 51 HZ1 LYS 51 8.646 27.253 27.253 1061 H PHE 52 HN PHE 52 8.984 28.362 28.362 1062 HA PHE 52 HA PHE 52 6.941 29.379 29.379 1063 1HB PHE 52 HB2 PHE 52 6.030 27.016 27.016 1064 2HB PHE 52 HB1 PHE 52 5.897 27.919 27.919 1065 HD1 PHE 52 HD1 PHE 52 8.633 25.813 25.813 1066 HD2 PHE 52 HD2 PHE 52 6.346 26.713 26.713 1067 HE1 PHE 52 HE1 PHE 52 9.862 24.127 24.127 1068 HE2 PHE 52 HE2 PHE 52 7.592 25.010 25.010 1069 HZ PHE 52 HZ PHE 52 9.351 23.699 23.699 1070 H GLN 53 HN GLN 53 6.810 26.870 26.870 1071 HA GLN 53 HA GLN 53 8.197 26.901 26.901 1072 1HB GLN 53 HB2 GLN 53 7.915 24.488 24.488 1073 2HB GLN 53 HB1 GLN 53 8.426 24.379 24.379 1074 1HG GLN 53 HG2 GLN 53 6.221 24.215 24.215 1075 2HG GLN 53 HG1 GLN 53 6.159 25.947 25.947 1076 1HE2 GLN 53 HE22 GLN 53 5.248 24.790 24.790 1077 2HE2 GLN 53 HE21 GLN 53 6.764 25.250 25.250 1078 H SER 54 HN SER 54 9.723 24.555 24.555 1079 HA SER 54 HA SER 54 12.034 25.360 25.360 1080 1HB SER 54 HB2 SER 54 13.667 25.346 25.346 1081 2HB SER 54 HB1 SER 54 12.735 26.813 26.813 1082 HG SER 54 HG SER 54 12.424 24.821 24.821 1083 H ARG 55 HN ARG 55 10.695 23.055 23.055 1084 HA ARG 55 HA ARG 55 12.573 20.970 20.970 1085 1HB ARG 55 HB2 ARG 55 11.342 19.831 19.831 1086 2HB ARG 55 HB1 ARG 55 12.397 21.189 21.189 1087 1HG ARG 55 HG2 ARG 55 10.520 21.915 21.915 1088 2HG ARG 55 HG1 ARG 55 10.093 22.553 22.553 1089 1HD ARG 55 HD2 ARG 55 8.171 21.370 21.370 1090 2HD ARG 55 HD1 ARG 55 9.132 20.047 20.047 1091 HE ARG 55 HE ARG 55 8.332 20.375 20.375 1092 1HH1 ARG 55 HH21 ARG 55 9.025 18.075 18.075 1093 2HH1 ARG 55 HH22 ARG 55 10.095 17.134 17.134 1094 1HH2 ARG 55 HH11 ARG 55 10.359 19.547 19.547 1095 2HH2 ARG 55 HH12 ARG 55 10.852 17.969 17.969 1096 H LEU 56 HN LEU 56 10.094 21.852 21.852 1097 HA LEU 56 HA LEU 56 8.878 19.124 19.124 1098 1HB LEU 56 HB2 LEU 56 6.749 20.485 20.485 1099 2HB LEU 56 HB1 LEU 56 7.078 20.246 20.246 1100 HG LEU 56 HG LEU 56 8.126 22.643 22.643 1101 1HD1 LEU 56 HD12 LEU 56 5.497 22.259 22.259 1102 2HD1 LEU 56 HD11 LEU 56 5.717 22.844 22.844 1103 3HD1 LEU 56 HD13 LEU 56 6.202 23.851 23.851 1104 1HD2 LEU 56 HD22 LEU 56 8.651 21.654 21.654 1105 2HD2 LEU 56 HD21 LEU 56 8.865 23.333 23.333 1106 3HD2 LEU 56 HD23 LEU 56 7.381 22.828 22.828 1107 H SER 57 HN SER 57 8.585 22.001 22.001 1108 HA SER 57 HA SER 57 9.585 20.325 20.325 1109 1HB SER 57 HB2 SER 57 7.381 19.708 19.708 1110 2HB SER 57 HB1 SER 57 6.771 21.181 21.181 1111 HG SER 57 HG SER 57 8.029 21.015 21.015 1112 HA PRO 58 HA PRO 58 10.873 24.547 24.547 1113 1HB PRO 58 HB2 PRO 58 12.834 23.820 23.820 1114 2HB PRO 58 HB1 PRO 58 13.040 23.840 23.840 1115 1HG PRO 58 HG2 PRO 58 12.728 21.503 21.503 1116 2HG PRO 58 HG1 PRO 58 13.513 21.587 21.587 1117 1HD PRO 58 HD2 PRO 58 10.922 20.550 20.550 1118 2HD PRO 58 HD1 PRO 58 11.605 20.901 20.901 1119 H GLU 59 HN GLU 59 9.262 25.393 25.393 1120 HA GLU 59 HA GLU 59 9.368 25.837 25.837 1121 1HB GLU 59 HB2 GLU 59 9.333 23.493 23.493 1122 2HB GLU 59 HB1 GLU 59 7.944 23.205 23.205 1123 1HG GLU 59 HG2 GLU 59 6.617 23.584 23.584 1124 2HG GLU 59 HG1 GLU 59 7.162 25.260 25.260 1125 H GLU 60 HN GLU 60 6.312 24.329 24.329 1126 HA GLU 60 HA GLU 60 4.196 25.357 25.357 1127 1HB GLU 60 HB2 GLU 60 5.132 27.112 27.112 1128 2HB GLU 60 HB1 GLU 60 3.779 25.986 25.986 1129 1HG GLU 60 HG2 GLU 60 5.506 24.106 24.106 1130 2HG GLU 60 HG1 GLU 60 6.705 25.342 25.342 1131 HA PRO 61 HA PRO 61 5.213 29.170 29.170 1132 1HB PRO 61 HB2 PRO 61 3.142 28.875 28.875 1133 2HB PRO 61 HB1 PRO 61 4.733 28.121 28.121 1134 1HG PRO 61 HG2 PRO 61 2.154 26.870 26.870 1135 2HG PRO 61 HG1 PRO 61 3.537 26.141 26.141 1136 1HD PRO 61 HD2 PRO 61 2.939 25.853 25.853 1137 2HD PRO 61 HD1 PRO 61 4.496 25.468 25.468 1138 H ALA 62 HN ALA 62 3.451 30.964 30.964 1139 HA ALA 62 HA ALA 62 1.102 31.031 31.031 1140 1HB ALA 62 HB2 ALA 62 3.446 32.908 32.908 1141 2HB ALA 62 HB1 ALA 62 1.839 33.216 33.216 1142 3HB ALA 62 HB3 ALA 62 2.755 31.806 31.806 1143 HA PRO 63 HA PRO 63 0.086 33.357 33.357 1144 1HB PRO 63 HB2 PRO 63 -2.626 33.272 33.272 1145 2HB PRO 63 HB1 PRO 63 -1.707 31.937 31.937 1146 1HG PRO 63 HG2 PRO 63 -2.849 32.168 32.168 1147 2HG PRO 63 HG1 PRO 63 -2.502 30.716 30.716 1148 1HD PRO 63 HD2 PRO 63 -0.913 31.732 31.732 1149 2HD PRO 63 HD1 PRO 63 -0.424 30.489 30.489 1150 H GLU 64 HN GLU 64 -2.076 35.089 35.089 1151 HA GLU 64 HA GLU 64 -1.061 37.362 37.362 1152 1HB GLU 64 HB2 GLU 64 -2.440 37.340 37.340 1153 2HB GLU 64 HB1 GLU 64 -3.850 37.163 37.163 1154 1HG GLU 64 HG2 GLU 64 -3.835 39.412 39.412 1155 2HG GLU 64 HG1 GLU 64 -2.391 39.214 39.214 1156 H THR 65 HN THR 65 -1.077 36.596 36.596 1157 HA THR 65 HA THR 65 -3.785 36.274 36.274 1158 HB THR 65 HB THR 65 -2.804 35.049 35.049 1159 HG1 THR 65 HG1 THR 65 -1.049 35.709 35.709 1160 1HG2 THR 65 HG23 THR 65 -2.019 34.388 34.388 1161 2HG2 THR 65 HG22 THR 65 -0.475 34.453 34.453 1162 3HG2 THR 65 HG21 THR 65 -1.755 33.382 33.382 1163 HA PRO 66 HA PRO 66 -3.506 40.220 40.220 1164 1HB PRO 66 HB2 PRO 66 -5.044 39.750 39.750 1165 2HB PRO 66 HB1 PRO 66 -5.714 39.946 39.946 1166 1HG PRO 66 HG2 PRO 66 -5.386 37.456 37.456 1167 2HG PRO 66 HG1 PRO 66 -6.555 37.819 37.819 1168 1HD PRO 66 HD2 PRO 66 -4.217 36.250 36.250 1169 2HD PRO 66 HD1 PRO 66 -5.210 36.897 36.897 1170 H GLU 67 HN GLU 67 -2.221 41.292 41.292 1171 HA GLU 67 HA GLU 67 -0.841 39.543 39.543 1172 1HB GLU 67 HB2 GLU 67 0.328 42.080 42.080 1173 2HB GLU 67 HB1 GLU 67 1.165 40.759 40.759 1174 1HG GLU 67 HG2 GLU 67 0.789 39.271 39.271 1175 2HG GLU 67 HG1 GLU 67 -0.272 40.441 40.441 1176 H ALA 68 HN ALA 68 0.222 41.175 41.175 1177 HA ALA 68 HA ALA 68 -2.068 42.456 42.456 1178 1HB ALA 68 HB2 ALA 68 0.376 41.362 41.362 1179 2HB ALA 68 HB1 ALA 68 0.472 43.083 43.083 1180 3HB ALA 68 HB3 ALA 68 -0.863 42.116 42.116 1181 HA PRO 69 HA PRO 69 -1.255 46.494 46.494 1182 1HB PRO 69 HB2 PRO 69 -2.864 47.870 47.870 1183 2HB PRO 69 HB1 PRO 69 -3.488 46.929 46.929 1184 1HG PRO 69 HG2 PRO 69 -3.535 46.274 46.274 1185 2HG PRO 69 HG1 PRO 69 -4.619 45.729 45.729 1186 1HD PRO 69 HD2 PRO 69 -2.503 44.226 44.226 1187 2HD PRO 69 HD1 PRO 69 -3.399 43.819 43.819 1188 H GLU 70 HN GLU 70 0.931 46.924 46.924 1189 HA GLU 70 HA GLU 70 1.343 48.733 48.733 1190 1HB GLU 70 HB2 GLU 70 1.995 45.858 45.858 1191 2HB GLU 70 HB1 GLU 70 3.269 46.978 46.978 1192 1HG GLU 70 HG2 GLU 70 1.256 48.223 48.223 1193 2HG GLU 70 HG1 GLU 70 0.530 46.616 46.616 1194 H ALA 71 HN ALA 71 3.148 46.399 46.399 1195 HA ALA 71 HA ALA 71 4.329 48.191 48.191 1196 1HB ALA 71 HB3 ALA 71 5.399 48.491 48.491 1197 2HB ALA 71 HB2 ALA 71 6.661 48.102 48.102 1198 3HB ALA 71 HB1 ALA 71 5.634 49.515 49.515 1199 HA PRO 72 HA PRO 72 7.168 44.369 44.369 1200 1HB PRO 72 HB2 PRO 72 6.861 42.754 42.754 1201 2HB PRO 72 HB1 PRO 72 7.982 44.125 44.125 1202 1HG PRO 72 HG2 PRO 72 5.368 43.906 43.906 1203 2HG PRO 72 HG1 PRO 72 6.762 44.934 44.934 1204 1HD PRO 72 HD2 PRO 72 4.381 45.761 45.761 1205 2HD PRO 72 HD1 PRO 72 5.893 46.688 46.688 1206 H GLY 73 HN GLY 73 6.731 41.753 41.753 1207 1HA GLY 73 HA2 GLY 73 3.979 41.388 41.388 1208 2HA GLY 73 HA1 GLY 73 5.352 40.342 40.342 1209 H GLY 74 HN GLY 74 3.912 41.527 41.527 1210 1HA GLY 74 HA2 GLY 74 2.830 40.215 40.215 1211 2HA GLY 74 HA1 GLY 74 3.202 38.765 38.765 1212 H SER 75 HN SER 75 5.074 37.625 37.625 1213 HA SER 75 HA SER 75 6.637 38.646 38.646 1214 1HB SER 75 HB2 SER 75 5.674 36.006 36.006 1215 2HB SER 75 HB1 SER 75 7.376 36.004 36.004 1216 HG SER 75 HG SER 75 6.377 35.792 35.792 1217 H ALA 76 HN ALA 76 8.249 39.885 39.885 1218 HA ALA 76 HA ALA 76 10.510 38.525 38.525 1219 1HB ALA 76 HB2 ALA 76 8.435 39.070 39.070 1220 2HB ALA 76 HB1 ALA 76 9.858 40.040 40.040 1221 3HB ALA 76 HB3 ALA 76 9.995 38.287 38.287 1222 H VAL 77 HN VAL 77 11.585 40.537 40.537 1223 HA VAL 77 HA VAL 77 12.617 42.630 42.630 1224 HB VAL 77 HB VAL 77 9.954 43.106 43.106 1225 1HG1 VAL 77 HG12 VAL 77 11.803 44.390 44.390 1226 2HG1 VAL 77 HG11 VAL 77 10.143 44.905 44.905 1227 3HG1 VAL 77 HG13 VAL 77 10.466 43.294 43.294 1228 1HG2 VAL 77 HG23 VAL 77 12.298 44.938 44.938 1229 2HG2 VAL 77 HG22 VAL 77 11.094 44.355 44.355 1230 3HG2 VAL 77 HG21 VAL 77 10.637 45.520 45.520 Start of MODEL 2 1 1H ACE 0 HA1 ACE 0 8.037 -3.072 -3.072 2 2H ACE 0 HA2 ACE 0 7.206 -1.559 -1.559 3 3H ACE 0 HA3 ACE 0 6.284 -2.964 -2.964 4 H MET 1 HN MET 1 5.865 -3.117 -3.117 5 HA MET 1 HA MET 1 5.990 -2.686 -2.686 6 1HB MET 1 HB2 MET 1 8.735 -2.556 -2.556 7 2HB MET 1 HB1 MET 1 8.471 -1.451 -1.451 8 1HG MET 1 HG2 MET 1 8.940 -3.395 -3.395 9 2HG MET 1 HG1 MET 1 7.188 -3.542 -3.542 10 1HE MET 1 HE2 MET 1 6.259 -5.332 -5.332 11 2HE MET 1 HE1 MET 1 6.015 -5.346 -5.346 12 3HE MET 1 HE3 MET 1 6.673 -6.771 -6.771 13 H ASP 2 HN ASP 2 5.624 -0.915 -0.915 14 HA ASP 2 HA ASP 2 5.478 1.363 1.363 15 1HB ASP 2 HB2 ASP 2 6.553 3.005 3.005 16 2HB ASP 2 HB1 ASP 2 7.306 1.632 1.632 17 H LEU 3 HN LEU 3 3.402 -0.375 -0.375 18 HA LEU 3 HA LEU 3 1.503 1.587 1.587 19 1HB LEU 3 HB2 LEU 3 0.682 -1.254 -1.254 20 2HB LEU 3 HB1 LEU 3 0.507 -0.054 -0.054 21 HG LEU 3 HG LEU 3 2.005 -1.683 -1.683 22 1HD1 LEU 3 HD13 LEU 3 2.855 0.969 0.969 23 2HD1 LEU 3 HD12 LEU 3 4.258 -0.070 -0.070 24 3HD1 LEU 3 HD11 LEU 3 3.399 -0.105 -0.105 25 1HD2 LEU 3 HD21 LEU 3 2.596 -2.170 -2.170 26 2HD2 LEU 3 HD23 LEU 3 3.350 -2.958 -2.958 27 3HD2 LEU 3 HD22 LEU 3 4.108 -1.542 -1.542 28 H VAL 4 HN VAL 4 1.214 -1.413 -1.413 29 HA VAL 4 HA VAL 4 -1.089 -0.655 -0.655 30 HB VAL 4 HB VAL 4 -0.530 -2.355 -2.355 31 1HG1 VAL 4 HG13 VAL 4 -0.492 -2.822 -2.822 32 2HG1 VAL 4 HG12 VAL 4 1.050 -3.521 -3.521 33 3HG1 VAL 4 HG11 VAL 4 -0.449 -4.091 -4.091 34 1HG2 VAL 4 HG21 VAL 4 1.719 -1.456 -1.456 35 2HG2 VAL 4 HG23 VAL 4 1.756 -3.197 -3.197 36 3HG2 VAL 4 HG22 VAL 4 2.338 -2.094 -2.094 37 H LYS 5 HN LYS 5 2.226 0.331 0.331 38 HA LYS 5 HA LYS 5 1.570 1.823 1.823 39 1HB LYS 5 HB2 LYS 5 3.986 2.140 2.140 40 2HB LYS 5 HB1 LYS 5 3.645 0.430 0.430 41 1HG LYS 5 HG2 LYS 5 3.911 1.163 1.163 42 2HG LYS 5 HG1 LYS 5 4.908 2.426 2.426 43 1HD LYS 5 HD2 LYS 5 5.287 -0.436 -0.436 44 2HD LYS 5 HD1 LYS 5 6.022 0.147 0.147 45 1HE LYS 5 HE2 LYS 5 6.669 2.163 2.163 46 2HE LYS 5 HE1 LYS 5 6.719 0.756 0.756 47 1HZ LYS 5 HZ2 LYS 5 8.030 0.730 0.730 48 2HZ LYS 5 HZ1 LYS 5 8.822 1.352 1.352 49 3HZ LYS 5 HZ3 LYS 5 8.327 -0.269 -0.269 50 H ASN 6 HN ASN 6 0.394 2.744 2.744 51 HA ASN 6 HA ASN 6 1.759 5.381 5.381 52 1HB ASN 6 HB2 ASN 6 1.634 3.345 3.345 53 2HB ASN 6 HB1 ASN 6 0.600 4.680 4.680 54 1HD2 ASN 6 HD22 ASN 6 3.857 5.732 5.732 55 2HD2 ASN 6 HD21 ASN 6 2.578 4.697 4.697 56 H HIS 7 HN HIS 7 -1.124 3.488 3.488 57 HA HIS 7 HA HIS 7 -2.782 5.867 5.867 58 1HB HIS 7 HB2 HIS 7 -4.623 4.198 4.198 59 2HB HIS 7 HB1 HIS 7 -3.269 3.898 3.898 60 HD1 HIS 7 HD1 HIS 7 -4.583 1.392 1.392 61 HD2 HIS 7 HD2 HIS 7 -2.108 2.729 2.729 62 HE1 HIS 7 HE1 HIS 7 -3.971 -0.652 -0.652 63 H LEU 8 HN LEU 8 -1.472 4.878 4.878 64 HA LEU 8 HA LEU 8 -3.397 4.153 4.153 65 1HB LEU 8 HB2 LEU 8 -1.084 6.094 6.094 66 2HB LEU 8 HB1 LEU 8 -2.139 5.796 5.796 67 HG LEU 8 HG LEU 8 -1.689 3.402 3.402 68 1HD1 LEU 8 HD13 LEU 8 -0.048 4.192 4.192 69 2HD1 LEU 8 HD12 LEU 8 0.006 2.600 2.600 70 3HD1 LEU 8 HD11 LEU 8 -1.487 3.174 3.174 71 1HD2 LEU 8 HD21 LEU 8 -0.091 4.816 4.816 72 2HD2 LEU 8 HD23 LEU 8 0.713 3.419 3.419 73 3HD2 LEU 8 HD22 LEU 8 0.883 5.010 5.010 74 H MET 9 HN MET 9 -3.288 7.031 7.031 75 HA MET 9 HA MET 9 -5.253 8.396 8.396 76 1HB MET 9 HB2 MET 9 -5.281 10.133 10.133 77 2HB MET 9 HB1 MET 9 -3.616 9.746 9.746 78 1HG MET 9 HG2 MET 9 -3.240 9.334 9.334 79 2HG MET 9 HG1 MET 9 -4.274 7.913 7.913 80 1HE MET 9 HE2 MET 9 -4.102 8.762 8.762 81 2HE MET 9 HE1 MET 9 -5.042 10.117 10.117 82 3HE MET 9 HE3 MET 9 -3.595 10.411 10.411 83 H TYR 10 HN TYR 10 -5.788 5.783 5.783 84 HA TYR 10 HA TYR 10 -8.293 6.156 6.156 85 1HB TYR 10 HB2 TYR 10 -7.721 4.523 4.523 86 2HB TYR 10 HB1 TYR 10 -6.082 4.987 4.987 87 HD1 TYR 10 HD2 TYR 10 -4.967 3.598 3.598 88 HD2 TYR 10 HD1 TYR 10 -8.410 2.323 2.323 89 HE1 TYR 10 HE2 TYR 10 -4.555 1.273 1.273 90 HE2 TYR 10 HE1 TYR 10 -7.990 -0.011 -0.011 91 HH TYR 10 HH TYR 10 -6.555 -0.996 -0.996 92 H ALA 11 HN ALA 11 -6.311 4.249 4.249 93 HA ALA 11 HA ALA 11 -8.678 3.367 3.367 94 1HB ALA 11 HB2 ALA 11 -7.663 1.658 1.658 95 2HB ALA 11 HB1 ALA 11 -6.345 1.549 1.549 96 3HB ALA 11 HB3 ALA 11 -7.986 1.123 1.123 97 H VAL 12 HN VAL 12 -5.339 4.335 4.335 98 HA VAL 12 HA VAL 12 -3.671 4.531 4.531 99 HB VAL 12 HB VAL 12 -4.993 6.482 6.482 100 1HG1 VAL 12 HG11 VAL 12 -6.656 4.527 4.527 101 2HG1 VAL 12 HG13 VAL 12 -6.810 6.283 6.283 102 3HG1 VAL 12 HG12 VAL 12 -7.188 5.439 5.439 103 1HG2 VAL 12 HG22 VAL 12 -3.260 5.231 5.231 104 2HG2 VAL 12 HG21 VAL 12 -3.990 6.797 6.797 105 3HG2 VAL 12 HG23 VAL 12 -4.687 5.328 5.328 106 H ARG 13 HN ARG 13 -4.881 1.980 1.980 107 HA ARG 13 HA ARG 13 -5.302 0.855 0.855 108 1HB ARG 13 HB2 ARG 13 -6.337 -0.790 -0.790 109 2HB ARG 13 HB1 ARG 13 -6.107 0.222 0.222 110 1HG ARG 13 HG2 ARG 13 -3.672 -1.072 -1.072 111 2HG ARG 13 HG1 ARG 13 -4.790 -2.307 -2.307 112 1HD ARG 13 HD2 ARG 13 -6.042 -2.243 -2.243 113 2HD ARG 13 HD1 ARG 13 -5.316 -0.714 -0.714 114 HE ARG 13 HE ARG 13 -4.282 -3.149 -3.149 115 1HH1 ARG 13 HH21 ARG 13 -3.099 -0.169 -0.169 116 2HH1 ARG 13 HH22 ARG 13 -1.478 -0.556 -0.556 117 1HH2 ARG 13 HH11 ARG 13 -2.222 -3.833 -3.833 118 2HH2 ARG 13 HH12 ARG 13 -0.982 -2.628 -2.628 119 H GLU 14 HN GLU 14 -4.008 -1.118 -1.118 120 HA GLU 14 HA GLU 14 -1.900 -1.829 -1.829 121 1HB GLU 14 HB2 GLU 14 -2.349 -2.683 -2.683 122 2HB GLU 14 HB1 GLU 14 -0.893 -1.733 -1.733 123 1HG GLU 14 HG2 GLU 14 -0.041 -3.860 -3.860 124 2HG GLU 14 HG1 GLU 14 0.073 -2.987 -2.987 125 H GLU 15 HN GLU 15 -2.197 1.184 1.184 126 HA GLU 15 HA GLU 15 0.449 1.925 1.925 127 1HB GLU 15 HB2 GLU 15 0.628 1.347 1.347 128 2HB GLU 15 HB1 GLU 15 -0.123 2.929 2.929 129 1HG GLU 15 HG2 GLU 15 2.167 3.445 3.445 130 2HG GLU 15 HG1 GLU 15 1.708 3.752 3.752 131 H VAL 16 HN VAL 16 0.013 3.666 3.666 132 HA VAL 16 HA VAL 16 -2.213 5.473 5.473 133 HB VAL 16 HB VAL 16 -0.986 5.793 5.793 134 1HG1 VAL 16 HG12 VAL 16 -3.259 6.663 6.663 135 2HG1 VAL 16 HG11 VAL 16 -3.875 5.330 5.330 136 3HG1 VAL 16 HG13 VAL 16 -3.027 6.669 6.669 137 1HG2 VAL 16 HG21 VAL 16 -0.999 3.313 3.313 138 2HG2 VAL 16 HG23 VAL 16 -2.142 3.847 3.847 139 3HG2 VAL 16 HG22 VAL 16 -2.722 3.391 3.391 140 H GLU 17 HN GLU 17 -1.649 7.485 7.485 141 HA GLU 17 HA GLU 17 1.094 8.239 8.239 142 1HB GLU 17 HB2 GLU 17 -1.421 9.198 9.198 143 2HB GLU 17 HB1 GLU 17 -0.659 10.537 10.537 144 1HG GLU 17 HG2 GLU 17 0.769 8.910 8.910 145 2HG GLU 17 HG1 GLU 17 -0.104 10.401 10.401 146 H ILE 18 HN ILE 18 -1.367 9.184 9.184 147 HA ILE 18 HA ILE 18 0.283 11.128 11.128 148 HB ILE 18 HB ILE 18 -2.199 11.006 11.006 149 1HG1 ILE 18 HG12 ILE 18 -1.882 10.834 10.834 150 2HG1 ILE 18 HG11 ILE 18 -0.253 11.221 11.221 151 1HG2 ILE 18 HG21 ILE 18 -2.286 8.504 8.504 152 2HG2 ILE 18 HG23 ILE 18 -1.604 8.605 8.605 153 3HG2 ILE 18 HG22 ILE 18 -3.191 9.297 9.297 154 1HD1 ILE 18 HD11 ILE 18 -2.621 12.735 12.735 155 2HD1 ILE 18 HD13 ILE 18 -1.908 13.182 13.182 156 3HD1 ILE 18 HD12 ILE 18 -0.932 13.236 13.236 157 H LEU 19 HN LEU 19 -0.375 7.672 7.672 158 HA LEU 19 HA LEU 19 1.273 7.591 7.591 159 1HB LEU 19 HB2 LEU 19 -0.467 5.839 5.839 160 2HB LEU 19 HB1 LEU 19 1.105 5.064 5.064 161 HG LEU 19 HG LEU 19 1.523 5.198 5.198 162 1HD1 LEU 19 HD12 LEU 19 -0.725 7.080 7.080 163 2HD1 LEU 19 HD11 LEU 19 -0.872 5.936 5.936 164 3HD1 LEU 19 HD13 LEU 19 0.555 6.964 6.964 165 1HD2 LEU 19 HD23 LEU 19 -0.215 3.490 3.490 166 2HD2 LEU 19 HD22 LEU 19 0.181 3.411 3.411 167 3HD2 LEU 19 HD21 LEU 19 -1.290 4.227 4.227 168 H LYS 20 HN LYS 20 1.959 7.314 7.314 169 HA LYS 20 HA LYS 20 4.609 6.167 6.167 170 1HB LYS 20 HB2 LYS 20 3.297 6.013 6.013 171 2HB LYS 20 HB1 LYS 20 3.529 7.749 7.749 172 1HG LYS 20 HG2 LYS 20 5.456 7.223 7.223 173 2HG LYS 20 HG1 LYS 20 6.091 6.813 6.813 174 1HD LYS 20 HD2 LYS 20 4.777 4.525 4.525 175 2HD LYS 20 HD1 LYS 20 5.145 5.022 5.022 176 1HE LYS 20 HE2 LYS 20 7.345 5.208 5.208 177 2HE LYS 20 HE1 LYS 20 6.881 3.596 3.596 178 1HZ LYS 20 HZ3 LYS 20 7.059 5.448 5.448 179 2HZ LYS 20 HZ2 LYS 20 8.527 5.339 5.339 180 3HZ LYS 20 HZ1 LYS 20 7.815 3.942 3.942 181 H GLU 21 HN GLU 21 3.314 9.439 9.439 182 HA GLU 21 HA GLU 21 5.943 10.675 10.675 183 1HB GLU 21 HB2 GLU 21 4.768 12.773 12.773 184 2HB GLU 21 HB1 GLU 21 3.927 11.674 11.674 185 1HG GLU 21 HG2 GLU 21 2.026 11.961 11.961 186 2HG GLU 21 HG1 GLU 21 2.817 11.341 11.341 187 H GLN 22 HN GLN 22 3.636 9.483 9.483 188 HA GLN 22 HA GLN 22 4.441 11.188 11.188 189 1HB GLN 22 HB2 GLN 22 2.179 9.972 9.972 190 2HB GLN 22 HB1 GLN 22 3.045 8.515 8.515 191 1HG GLN 22 HG2 GLN 22 2.981 9.132 9.132 192 2HG GLN 22 HG1 GLN 22 3.704 10.694 10.694 193 1HE2 GLN 22 HE22 GLN 22 0.565 12.405 12.405 194 2HE2 GLN 22 HE21 GLN 22 2.187 12.464 12.464 195 H ILE 23 HN ILE 23 5.170 7.951 7.951 196 HA ILE 23 HA ILE 23 6.970 7.323 7.323 197 HB ILE 23 HB ILE 23 7.408 5.283 5.283 198 1HG1 ILE 23 HG12 ILE 23 6.299 5.364 5.364 199 2HG1 ILE 23 HG11 ILE 23 7.040 6.957 6.957 200 1HG2 ILE 23 HG22 ILE 23 4.689 6.327 6.327 201 2HG2 ILE 23 HG21 ILE 23 4.900 5.096 5.096 202 3HG2 ILE 23 HG23 ILE 23 5.274 4.721 4.721 203 1HD1 ILE 23 HD11 ILE 23 9.023 5.435 5.435 204 2HD1 ILE 23 HD13 ILE 23 8.317 4.280 4.280 205 3HD1 ILE 23 HD12 ILE 23 8.915 5.833 5.833 206 H ARG 24 HN ARG 24 7.182 8.801 8.801 207 HA ARG 24 HA ARG 24 10.100 8.735 8.735 208 1HB ARG 24 HB2 ARG 24 8.847 8.910 8.910 209 2HB ARG 24 HB1 ARG 24 8.041 10.372 10.372 210 1HG ARG 24 HG2 ARG 24 9.761 11.654 11.654 211 2HG ARG 24 HG1 ARG 24 10.909 10.665 10.665 212 1HD ARG 24 HD2 ARG 24 11.694 9.934 9.934 213 2HD ARG 24 HD1 ARG 24 10.170 9.070 9.070 214 HE ARG 24 HE ARG 24 9.451 11.480 11.480 215 1HH1 ARG 24 HH21 ARG 24 12.093 9.366 9.366 216 2HH1 ARG 24 HH22 ARG 24 12.555 10.135 10.135 217 1HH2 ARG 24 HH11 ARG 24 10.154 12.625 12.625 218 2HH2 ARG 24 HH12 ARG 24 11.461 11.981 11.981 219 H GLU 25 HN GLU 25 7.580 10.881 10.881 220 HA GLU 25 HA GLU 25 9.432 13.068 13.068 221 1HB GLU 25 HB2 GLU 25 6.887 13.241 13.241 222 2HB GLU 25 HB1 GLU 25 6.652 12.779 12.779 223 1HG GLU 25 HG2 GLU 25 8.603 14.965 14.965 224 2HG GLU 25 HG1 GLU 25 6.884 15.337 15.337 225 H LEU 26 HN LEU 26 8.242 10.195 10.195 226 HA LEU 26 HA LEU 26 8.914 11.031 11.031 227 1HB LEU 26 HB2 LEU 26 7.684 8.698 8.698 228 2HB LEU 26 HB1 LEU 26 8.764 8.270 8.270 229 HG LEU 26 HG LEU 26 6.382 8.673 8.673 230 1HD1 LEU 26 HD11 LEU 26 8.468 10.591 10.591 231 2HD1 LEU 26 HD13 LEU 26 6.995 10.102 10.102 232 3HD1 LEU 26 HD12 LEU 26 8.253 8.913 8.913 233 1HD2 LEU 26 HD21 LEU 26 6.872 11.096 11.096 234 2HD2 LEU 26 HD23 LEU 26 5.347 10.468 10.468 235 3HD2 LEU 26 HD22 LEU 26 6.367 11.484 11.484 236 H VAL 27 HN VAL 27 10.356 9.258 9.258 237 HA VAL 27 HA VAL 27 12.698 8.442 8.442 238 HB VAL 27 HB VAL 27 11.892 7.095 7.095 239 1HG1 VAL 27 HG12 VAL 27 11.150 9.044 9.044 240 2HG1 VAL 27 HG11 VAL 27 12.841 9.462 9.462 241 3HG1 VAL 27 HG13 VAL 27 12.194 7.944 7.944 242 1HG2 VAL 27 HG23 VAL 27 14.565 7.953 7.953 243 2HG2 VAL 27 HG22 VAL 27 14.036 6.411 6.411 244 3HG2 VAL 27 HG21 VAL 27 14.407 7.760 7.760 245 H GLU 28 HN GLU 28 11.683 11.093 11.093 246 HA GLU 28 HA GLU 28 14.373 12.203 12.203 247 1HB GLU 28 HB2 GLU 28 12.443 12.611 12.611 248 2HB GLU 28 HB1 GLU 28 11.732 13.643 13.643 249 1HG GLU 28 HG2 GLU 28 13.121 14.898 14.898 250 2HG GLU 28 HG1 GLU 28 13.662 15.105 15.105 251 H LYS 29 HN LYS 29 11.596 12.622 12.622 252 HA LYS 29 HA LYS 29 12.754 14.886 14.886 253 1HB LYS 29 HB2 LYS 29 10.240 14.273 14.273 254 2HB LYS 29 HB1 LYS 29 10.569 13.079 13.079 255 1HG LYS 29 HG2 LYS 29 11.204 14.744 14.744 256 2HG LYS 29 HG1 LYS 29 11.344 15.981 15.981 257 1HD LYS 29 HD2 LYS 29 8.930 15.930 15.930 258 2HD LYS 29 HD1 LYS 29 8.752 14.614 14.614 259 1HE LYS 29 HE2 LYS 29 8.448 16.197 16.197 260 2HE LYS 29 HE1 LYS 29 10.161 16.576 16.576 261 1HZ LYS 29 HZ1 LYS 29 9.026 17.855 17.855 262 2HZ LYS 29 HZ3 LYS 29 7.860 18.052 18.052 263 3HZ LYS 29 HZ2 LYS 29 9.453 18.579 18.579 264 H ASN 30 HN ASN 30 12.752 11.407 11.407 265 HA ASN 30 HA ASN 30 13.849 11.280 11.280 266 1HB ASN 30 HB2 ASN 30 12.574 9.390 9.390 267 2HB ASN 30 HB1 ASN 30 13.817 9.200 9.200 268 1HD2 ASN 30 HD22 ASN 30 14.382 7.544 7.544 269 2HD2 ASN 30 HD21 ASN 30 12.911 8.260 8.260 270 H SER 31 HN SER 31 15.086 11.344 11.344 271 HA SER 31 HA SER 31 17.847 10.824 10.824 272 1HB SER 31 HB2 SER 31 16.744 10.501 10.501 273 2HB SER 31 HB1 SER 31 16.996 12.233 12.233 274 HG SER 31 HG SER 31 19.226 11.832 11.832 275 H GLN 32 HN GLN 32 15.795 13.632 13.632 276 HA GLN 32 HA GLN 32 17.959 15.565 15.565 277 1HB GLN 32 HB2 GLN 32 15.985 16.285 16.285 278 2HB GLN 32 HB1 GLN 32 14.942 15.788 15.788 279 1HG GLN 32 HG2 GLN 32 15.393 17.660 17.660 280 2HG GLN 32 HG1 GLN 32 17.072 17.733 17.733 281 1HE2 GLN 32 HE22 GLN 32 14.211 19.804 19.804 282 2HE2 GLN 32 HE21 GLN 32 13.786 18.769 18.769 283 H LEU 33 HN LEU 33 15.757 13.924 13.924 284 HA LEU 33 HA LEU 33 16.483 15.595 15.595 285 1HB LEU 33 HB2 LEU 33 14.528 13.516 13.516 286 2HB LEU 33 HB1 LEU 33 15.348 13.211 13.211 287 HG LEU 33 HG LEU 33 13.304 14.652 14.652 288 1HD1 LEU 33 HD12 LEU 33 15.691 14.827 14.827 289 2HD1 LEU 33 HD11 LEU 33 15.538 16.477 16.477 290 3HD1 LEU 33 HD13 LEU 33 14.283 15.794 15.794 291 1HD2 LEU 33 HD21 LEU 33 14.250 15.871 15.871 292 2HD2 LEU 33 HD23 LEU 33 13.025 16.555 16.555 293 3HD2 LEU 33 HD22 LEU 33 14.716 17.024 17.024 294 H GLU 34 HN GLU 34 17.577 12.712 12.712 295 HA GLU 34 HA GLU 34 19.159 11.743 11.743 296 1HB GLU 34 HB2 GLU 34 18.674 10.941 10.941 297 2HB GLU 34 HB1 GLU 34 20.275 10.556 10.556 298 1HG GLU 34 HG2 GLU 34 17.879 9.926 9.926 299 2HG GLU 34 HG1 GLU 34 18.271 8.863 8.863 300 H ARG 35 HN ARG 35 19.564 13.818 13.818 301 HA ARG 35 HA ARG 35 22.461 14.042 14.042 302 1HB ARG 35 HB2 ARG 35 20.340 15.311 15.311 303 2HB ARG 35 HB1 ARG 35 21.867 16.173 16.173 304 1HG ARG 35 HG2 ARG 35 23.022 13.976 13.976 305 2HG ARG 35 HG1 ARG 35 21.431 13.396 13.396 306 1HD ARG 35 HD2 ARG 35 21.505 14.579 14.579 307 2HD ARG 35 HD1 ARG 35 21.981 16.049 16.049 308 HE ARG 35 HE ARG 35 23.825 14.064 14.064 309 1HH1 ARG 35 HH11 ARG 35 25.674 14.415 14.415 310 2HH1 ARG 35 HH12 ARG 35 26.254 16.047 16.047 311 1HH2 ARG 35 HH21 ARG 35 23.540 17.237 17.237 312 2HH2 ARG 35 HH22 ARG 35 25.045 17.643 17.643 313 H GLU 36 HN GLU 36 19.618 15.956 15.956 314 HA GLU 36 HA GLU 36 21.191 18.099 18.099 315 1HB GLU 36 HB2 GLU 36 18.307 17.377 17.377 316 2HB GLU 36 HB1 GLU 36 18.783 18.386 18.386 317 1HG GLU 36 HG2 GLU 36 20.137 19.446 19.446 318 2HG GLU 36 HG1 GLU 36 18.491 19.123 19.123 319 H ASN 37 HN ASN 37 19.863 15.051 15.051 320 HA ASN 37 HA ASN 37 20.219 15.576 15.576 321 1HB ASN 37 HB2 ASN 37 18.551 13.935 13.935 322 2HB ASN 37 HB1 ASN 37 19.811 12.979 12.979 323 1HD2 ASN 37 HD22 ASN 37 20.274 11.170 11.170 324 2HD2 ASN 37 HD21 ASN 37 20.087 11.142 11.142 325 H THR 38 HN THR 38 22.067 14.079 14.079 326 HA THR 38 HA THR 38 24.168 13.117 13.117 327 HB THR 38 HB THR 38 23.639 12.134 12.134 328 HG1 THR 38 HG1 THR 38 26.290 12.965 12.965 329 1HG2 THR 38 HG22 THR 38 24.969 14.716 14.716 330 2HG2 THR 38 HG21 THR 38 24.756 13.327 13.327 331 3HG2 THR 38 HG23 THR 38 23.348 14.166 14.166 332 H LEU 39 HN LEU 39 23.421 16.021 16.021 333 HA LEU 39 HA LEU 39 26.088 17.177 17.177 334 1HB LEU 39 HB2 LEU 39 23.797 17.769 17.769 335 2HB LEU 39 HB1 LEU 39 23.924 19.101 19.101 336 HG LEU 39 HG LEU 39 25.201 19.600 19.600 337 1HD1 LEU 39 HD13 LEU 39 26.829 19.018 19.018 338 2HD1 LEU 39 HD12 LEU 39 27.447 19.941 19.941 339 3HD1 LEU 39 HD11 LEU 39 26.071 20.546 20.546 340 1HD2 LEU 39 HD23 LEU 39 25.925 16.841 16.841 341 2HD2 LEU 39 HD22 LEU 39 26.305 17.945 17.945 342 3HD2 LEU 39 HD21 LEU 39 27.399 17.807 17.807 343 H LEU 40 HN LEU 40 23.055 17.233 17.233 344 HA LEU 40 HA LEU 40 23.989 19.308 19.308 345 1HB LEU 40 HB2 LEU 40 21.501 18.005 18.005 346 2HB LEU 40 HB1 LEU 40 21.851 17.794 17.794 347 HG LEU 40 HG LEU 40 22.172 20.197 20.197 348 1HD1 LEU 40 HD11 LEU 40 22.809 20.178 20.178 349 2HD1 LEU 40 HD13 LEU 40 21.207 20.915 20.915 350 3HD1 LEU 40 HD12 LEU 40 22.499 21.635 21.635 351 1HD2 LEU 40 HD21 LEU 40 19.832 19.157 19.157 352 2HD2 LEU 40 HD23 LEU 40 19.902 20.899 20.899 353 3HD2 LEU 40 HD22 LEU 40 19.658 19.807 19.807 354 H LYS 41 HN LYS 41 23.960 15.819 15.819 355 HA LYS 41 HA LYS 41 24.698 15.353 15.353 356 1HB LYS 41 HB2 LYS 41 23.661 13.542 13.542 357 2HB LYS 41 HB1 LYS 41 24.887 13.638 13.638 358 1HG LYS 41 HG2 LYS 41 25.880 13.222 13.222 359 2HG LYS 41 HG1 LYS 41 25.031 11.865 11.865 360 1HD LYS 41 HD2 LYS 41 26.998 13.224 13.224 361 2HD LYS 41 HD1 LYS 41 27.686 12.368 12.368 362 1HE LYS 41 HE2 LYS 41 26.453 10.329 10.329 363 2HE LYS 41 HE1 LYS 41 25.772 11.184 11.184 364 1HZ LYS 41 HZ3 LYS 41 28.567 11.512 11.512 365 2HZ LYS 41 HZ2 LYS 41 28.209 9.855 9.855 366 3HZ LYS 41 HZ1 LYS 41 27.597 10.763 10.763 367 H THR 42 HN THR 42 26.412 15.771 15.771 368 HA THR 42 HA THR 42 29.028 15.207 15.207 369 HB THR 42 HB THR 42 29.892 16.052 16.052 370 HG1 THR 42 HG1 THR 42 28.228 16.717 16.717 371 1HG2 THR 42 HG22 THR 42 27.724 14.047 14.047 372 2HG2 THR 42 HG21 THR 42 28.098 14.595 14.595 373 3HG2 THR 42 HG23 THR 42 29.361 13.877 13.877 374 H LEU 43 HN LEU 43 27.134 18.117 18.117 375 HA LEU 43 HA LEU 43 29.209 19.988 19.988 376 1HB LEU 43 HB2 LEU 43 27.259 20.690 20.690 377 2HB LEU 43 HB1 LEU 43 26.189 20.307 20.307 378 HG LEU 43 HG LEU 43 27.422 21.978 21.978 379 1HD1 LEU 43 HD11 LEU 43 28.968 22.192 22.192 380 2HD1 LEU 43 HD13 LEU 43 28.743 23.650 23.650 381 3HD1 LEU 43 HD12 LEU 43 29.545 22.243 22.243 382 1HD2 LEU 43 HD21 LEU 43 26.273 23.013 23.013 383 2HD2 LEU 43 HD23 LEU 43 25.357 22.638 22.638 384 3HD2 LEU 43 HD22 LEU 43 26.502 23.979 23.979 385 H ALA 44 HN ALA 44 26.721 18.285 18.285 386 HA ALA 44 HA ALA 44 27.564 19.684 19.684 387 1HB ALA 44 HB1 ALA 44 25.088 19.146 19.146 388 2HB ALA 44 HB3 ALA 44 25.470 17.526 17.526 389 3HB ALA 44 HB2 ALA 44 25.584 18.907 18.907 390 H SER 45 HN SER 45 28.945 17.417 17.417 391 HA SER 45 HA SER 45 29.098 15.178 15.178 392 1HB SER 45 HB2 SER 45 29.959 15.741 15.741 393 2HB SER 45 HB1 SER 45 31.407 15.355 15.355 394 HG SER 45 HG SER 45 29.022 13.815 13.815 395 HA PRO 46 HA PRO 46 33.235 17.214 17.214 396 1HB PRO 46 HB2 PRO 46 33.793 19.701 19.701 397 2HB PRO 46 HB1 PRO 46 34.263 18.191 18.191 398 1HG PRO 46 HG2 PRO 46 32.097 20.099 20.099 399 2HG PRO 46 HG1 PRO 46 32.975 18.956 18.956 400 1HD PRO 46 HD2 PRO 46 30.356 18.602 18.602 401 2HD PRO 46 HD1 PRO 46 31.346 17.361 17.361 402 H GLU 47 HN GLU 47 30.437 17.842 17.842 403 HA GLU 47 HA GLU 47 29.869 20.378 20.378 404 1HB GLU 47 HB2 GLU 47 29.844 18.106 18.106 405 2HB GLU 47 HB1 GLU 47 28.739 19.474 19.474 406 1HG GLU 47 HG2 GLU 47 28.090 18.583 18.583 407 2HG GLU 47 HG1 GLU 47 28.945 17.106 17.106 408 H GLN 48 HN GLN 48 31.656 18.304 18.304 409 HA GLN 48 HA GLN 48 33.427 18.822 18.822 410 1HB GLN 48 HB2 GLN 48 33.896 21.029 21.029 411 2HB GLN 48 HB1 GLN 48 35.016 20.585 20.585 412 1HG GLN 48 HG2 GLN 48 34.117 18.293 18.293 413 2HG GLN 48 HG1 GLN 48 35.007 19.493 19.493 414 1HE2 GLN 48 HE22 GLN 48 36.989 17.869 17.869 415 2HE2 GLN 48 HE21 GLN 48 35.328 18.199 18.199 416 H LEU 49 HN LEU 49 31.571 19.446 19.446 417 HA LEU 49 HA LEU 49 31.485 22.373 22.373 418 1HB LEU 49 HB2 LEU 49 29.645 21.065 21.065 419 2HB LEU 49 HB1 LEU 49 29.293 22.175 22.175 420 HG LEU 49 HG LEU 49 29.915 19.334 19.334 421 1HD1 LEU 49 HD13 LEU 49 27.857 19.959 19.959 422 2HD1 LEU 49 HD12 LEU 49 27.069 19.819 19.819 423 3HD1 LEU 49 HD11 LEU 49 28.011 18.476 18.476 424 1HD2 LEU 49 HD22 LEU 49 28.784 21.673 21.673 425 2HD2 LEU 49 HD21 LEU 49 29.488 20.224 20.224 426 3HD2 LEU 49 HD23 LEU 49 27.798 20.227 20.227 427 H GLU 50 HN GLU 50 32.680 19.435 19.435 428 HA GLU 50 HA GLU 50 34.572 19.728 19.728 429 1HB GLU 50 HB2 GLU 50 32.317 21.129 21.129 430 2HB GLU 50 HB1 GLU 50 33.733 20.493 20.493 431 1HG GLU 50 HG2 GLU 50 34.525 21.923 21.923 432 2HG GLU 50 HG1 GLU 50 33.530 22.948 22.948 433 H LYS 51 HN LYS 51 31.289 19.172 19.172 434 HA LYS 51 HA LYS 51 31.752 16.294 16.294 435 1HB LYS 51 HB2 LYS 51 31.885 15.986 15.986 436 2HB LYS 51 HB1 LYS 51 33.052 17.224 17.224 437 1HG LYS 51 HG2 LYS 51 30.284 17.819 17.819 438 2HG LYS 51 HG1 LYS 51 31.718 17.745 17.745 439 1HD LYS 51 HD2 LYS 51 32.078 19.909 19.909 440 2HD LYS 51 HD1 LYS 51 32.450 19.411 19.411 441 1HE LYS 51 HE2 LYS 51 30.113 19.683 19.683 442 2HE LYS 51 HE1 LYS 51 29.657 20.029 20.029 443 1HZ LYS 51 HZ3 LYS 51 31.768 21.720 21.720 444 2HZ LYS 51 HZ2 LYS 51 30.448 21.829 21.829 445 3HZ LYS 51 HZ1 LYS 51 30.233 22.139 22.139 446 H PHE 52 HN PHE 52 29.831 15.283 15.283 447 HA PHE 52 HA PHE 52 27.393 15.969 15.969 448 1HB PHE 52 HB2 PHE 52 26.447 16.682 16.682 449 2HB PHE 52 HB1 PHE 52 26.948 17.839 17.839 450 HD1 PHE 52 HD2 PHE 52 28.374 15.706 15.706 451 HD2 PHE 52 HD1 PHE 52 28.778 19.294 19.294 452 HE1 PHE 52 HE2 PHE 52 30.422 16.245 16.245 453 HE2 PHE 52 HE1 PHE 52 30.799 19.798 19.798 454 HZ PHE 52 HZ PHE 52 31.647 18.282 18.282 455 H GLN 53 HN GLN 53 28.946 14.543 14.543 456 HA GLN 53 HA GLN 53 26.726 12.599 12.599 457 1HB GLN 53 HB2 GLN 53 28.915 13.439 13.439 458 2HB GLN 53 HB1 GLN 53 27.683 12.226 12.226 459 1HG GLN 53 HG2 GLN 53 26.102 13.789 13.789 460 2HG GLN 53 HG1 GLN 53 26.561 14.733 14.733 461 1HE2 GLN 53 HE22 GLN 53 29.163 15.492 15.492 462 2HE2 GLN 53 HE21 GLN 53 28.995 13.921 13.921 463 H SER 54 HN SER 54 28.673 10.882 10.882 464 HA SER 54 HA SER 54 30.018 9.678 9.678 465 1HB SER 54 HB2 SER 54 29.461 8.237 8.237 466 2HB SER 54 HB1 SER 54 29.761 7.550 7.550 467 HG SER 54 HG SER 54 27.458 7.930 7.930 468 H ARG 55 HN ARG 55 30.562 11.118 11.118 469 HA ARG 55 HA ARG 55 33.065 9.876 9.876 470 1HB ARG 55 HB2 ARG 55 33.483 11.845 11.845 471 2HB ARG 55 HB1 ARG 55 31.869 11.181 11.181 472 1HG ARG 55 HG2 ARG 55 30.954 13.162 13.162 473 2HG ARG 55 HG1 ARG 55 31.748 13.143 13.143 474 1HD ARG 55 HD2 ARG 55 32.369 15.127 15.127 475 2HD ARG 55 HD1 ARG 55 33.753 14.141 14.141 476 HE ARG 55 HE ARG 55 33.582 13.105 13.105 477 1HH1 ARG 55 HH11 ARG 55 30.985 14.770 14.770 478 2HH1 ARG 55 HH12 ARG 55 31.588 15.975 15.975 479 1HH2 ARG 55 HH21 ARG 55 34.922 15.263 15.263 480 2HH2 ARG 55 HH22 ARG 55 33.819 16.256 16.256 481 H LEU 56 HN LEU 56 32.223 12.634 12.634 482 HA LEU 56 HA LEU 56 35.109 12.874 12.874 483 1HB LEU 56 HB2 LEU 56 33.414 14.814 14.814 484 2HB LEU 56 HB1 LEU 56 34.729 15.092 15.092 485 HG LEU 56 HG LEU 56 32.944 14.345 14.345 486 1HD1 LEU 56 HD12 LEU 56 31.302 13.843 13.843 487 2HD1 LEU 56 HD11 LEU 56 31.088 15.589 15.589 488 3HD1 LEU 56 HD13 LEU 56 30.682 14.693 14.693 489 1HD2 LEU 56 HD23 LEU 56 34.035 16.589 16.589 490 2HD2 LEU 56 HD22 LEU 56 32.389 16.663 16.663 491 3HD2 LEU 56 HD21 LEU 56 32.704 17.027 17.027 492 H SER 57 HN SER 57 32.092 13.419 13.419 493 HA SER 57 HA SER 57 32.967 11.433 11.433 494 1HB SER 57 HB2 SER 57 33.677 13.594 13.594 495 2HB SER 57 HB1 SER 57 32.111 14.298 14.298 496 HG SER 57 HG SER 57 31.166 13.060 13.060 497 HA PRO 58 HA PRO 58 28.628 10.561 10.561 498 1HB PRO 58 HB2 PRO 58 28.572 8.316 8.316 499 2HB PRO 58 HB1 PRO 58 29.152 8.344 8.344 500 1HG PRO 58 HG2 PRO 58 30.726 8.177 8.177 501 2HG PRO 58 HG1 PRO 58 31.144 7.592 7.592 502 1HD PRO 58 HD2 PRO 58 32.120 9.961 9.961 503 2HD PRO 58 HD1 PRO 58 32.252 9.536 9.536 504 H GLU 59 HN GLU 59 27.332 11.929 11.929 505 HA GLU 59 HA GLU 59 26.828 11.477 11.477 506 1HB GLU 59 HB2 GLU 59 28.361 13.780 13.780 507 2HB GLU 59 HB1 GLU 59 27.047 14.201 14.201 508 1HG GLU 59 HG2 GLU 59 29.121 12.079 12.079 509 2HG GLU 59 HG1 GLU 59 29.243 13.753 13.753 510 H GLU 60 HN GLU 60 26.131 14.552 14.552 511 HA GLU 60 HA GLU 60 24.028 15.553 15.553 512 1HB GLU 60 HB2 GLU 60 24.500 13.627 13.627 513 2HB GLU 60 HB1 GLU 60 22.926 13.135 13.135 514 1HG GLU 60 HG2 GLU 60 23.658 15.879 15.879 515 2HG GLU 60 HG1 GLU 60 22.592 14.705 14.705 516 HA PRO 61 HA PRO 61 22.066 12.991 12.991 517 1HB PRO 61 HB2 PRO 61 22.416 14.831 14.831 518 2HB PRO 61 HB1 PRO 61 23.575 13.544 13.544 519 1HG PRO 61 HG2 PRO 61 23.759 16.462 16.462 520 2HG PRO 61 HG1 PRO 61 25.058 15.286 15.286 521 1HD PRO 61 HD2 PRO 61 24.190 16.266 16.266 522 2HD PRO 61 HD1 PRO 61 25.223 14.844 14.844 523 H ALA 62 HN ALA 62 19.891 13.189 13.189 524 HA ALA 62 HA ALA 62 18.235 15.158 15.158 525 1HB ALA 62 HB1 ALA 62 19.487 15.998 15.998 526 2HB ALA 62 HB3 ALA 62 17.732 16.162 16.162 527 3HB ALA 62 HB2 ALA 62 18.724 16.972 16.972 528 HA PRO 63 HA PRO 63 16.332 11.543 11.543 529 1HB PRO 63 HB2 PRO 63 15.399 10.367 10.367 530 2HB PRO 63 HB1 PRO 63 17.005 10.049 10.049 531 1HG PRO 63 HG2 PRO 63 16.268 11.668 11.668 532 2HG PRO 63 HG1 PRO 63 17.791 10.840 10.840 533 1HD PRO 63 HD2 PRO 63 17.284 13.624 13.624 534 2HD PRO 63 HD1 PRO 63 18.698 12.746 12.746 535 H GLU 64 HN GLU 64 13.915 10.676 10.676 536 HA GLU 64 HA GLU 64 12.243 13.097 13.097 537 1HB GLU 64 HB2 GLU 64 10.392 11.496 11.496 538 2HB GLU 64 HB1 GLU 64 11.733 11.155 11.155 539 1HG GLU 64 HG2 GLU 64 12.090 9.763 9.763 540 2HG GLU 64 HG1 GLU 64 10.535 9.355 9.355 541 H THR 65 HN THR 65 13.428 13.192 13.192 542 HA THR 65 HA THR 65 12.311 11.771 11.771 543 HB THR 65 HB THR 65 12.978 13.694 13.694 544 HG1 THR 65 HG1 THR 65 13.082 14.925 14.925 545 1HG2 THR 65 HG23 THR 65 14.766 12.718 12.718 546 2HG2 THR 65 HG22 THR 65 15.362 13.939 13.939 547 3HG2 THR 65 HG21 THR 65 14.834 12.367 12.367 548 HA PRO 66 HA PRO 66 8.140 13.351 13.351 549 1HB PRO 66 HB2 PRO 66 7.189 11.837 11.837 550 2HB PRO 66 HB1 PRO 66 7.429 11.205 11.205 551 1HG PRO 66 HG2 PRO 66 9.066 10.742 10.742 552 2HG PRO 66 HG1 PRO 66 8.867 9.712 9.712 553 1HD PRO 66 HD2 PRO 66 11.094 11.378 11.378 554 2HD PRO 66 HD1 PRO 66 10.722 10.600 10.600 555 H GLU 67 HN GLU 67 6.538 13.837 13.837 556 HA GLU 67 HA GLU 67 8.160 15.494 15.494 557 1HB GLU 67 HB2 GLU 67 5.910 16.300 16.300 558 2HB GLU 67 HB1 GLU 67 5.952 17.004 17.004 559 1HG GLU 67 HG2 GLU 67 8.238 17.800 17.800 560 2HG GLU 67 HG1 GLU 67 8.261 17.040 17.040 561 H ALA 68 HN ALA 68 7.627 13.254 13.254 562 HA ALA 68 HA ALA 68 5.484 13.785 13.785 563 1HB ALA 68 HB2 ALA 68 5.215 11.675 11.675 564 2HB ALA 68 HB1 ALA 68 4.549 11.373 11.373 565 3HB ALA 68 HB3 ALA 68 3.986 12.753 12.753 566 HA PRO 69 HA PRO 69 8.128 11.344 11.344 567 1HB PRO 69 HB2 PRO 69 6.323 10.390 10.390 568 2HB PRO 69 HB1 PRO 69 6.893 12.068 12.068 569 1HG PRO 69 HG2 PRO 69 4.258 10.964 10.964 570 2HG PRO 69 HG1 PRO 69 4.657 12.587 12.587 571 1HD PRO 69 HD2 PRO 69 4.248 11.864 11.864 572 2HD PRO 69 HD1 PRO 69 4.984 13.375 13.375 573 H GLU 70 HN GLU 70 7.751 9.002 9.002 574 HA GLU 70 HA GLU 70 6.590 7.022 7.022 575 1HB GLU 70 HB2 GLU 70 9.389 7.606 7.606 576 2HB GLU 70 HB1 GLU 70 9.136 6.006 6.006 577 1HG GLU 70 HG2 GLU 70 7.528 6.448 6.448 578 2HG GLU 70 HG1 GLU 70 9.260 6.574 6.574 579 H ALA 71 HN ALA 71 6.934 4.724 4.724 580 HA ALA 71 HA ALA 71 5.865 4.898 4.898 581 1HB ALA 71 HB3 ALA 71 5.363 3.132 3.132 582 2HB ALA 71 HB2 ALA 71 6.823 2.342 2.342 583 3HB ALA 71 HB1 ALA 71 5.453 2.595 2.595 584 HA PRO 72 HA PRO 72 9.762 4.590 4.590 585 1HB PRO 72 HB2 PRO 72 8.768 4.010 4.010 586 2HB PRO 72 HB1 PRO 72 8.736 5.632 5.632 587 1HG PRO 72 HG2 PRO 72 6.495 3.699 3.699 588 2HG PRO 72 HG1 PRO 72 6.447 5.467 5.467 589 1HD PRO 72 HD2 PRO 72 5.790 3.651 3.651 590 2HD PRO 72 HD1 PRO 72 6.050 5.400 5.400 591 H GLY 73 HN GLY 73 10.690 2.916 2.916 592 1HA GLY 73 HA2 GLY 73 11.397 0.712 0.712 593 2HA GLY 73 HA1 GLY 73 9.730 0.237 0.237 594 H GLY 74 HN GLY 74 12.357 1.630 1.630 595 1HA GLY 74 HA2 GLY 74 13.039 1.033 1.033 596 2HA GLY 74 HA1 GLY 74 12.968 -0.614 -0.614 597 H SER 75 HN SER 75 12.113 -1.510 -1.510 598 HA SER 75 HA SER 75 9.320 -0.640 -0.640 599 1HB SER 75 HB2 SER 75 11.455 -0.582 -0.582 600 2HB SER 75 HB1 SER 75 10.785 -2.176 -2.176 601 HG SER 75 HG SER 75 9.203 0.169 0.169 602 H ALA 76 HN ALA 76 7.768 -2.267 -2.267 603 HA ALA 76 HA ALA 76 8.217 -4.692 -4.692 604 1HB ALA 76 HB3 ALA 76 6.019 -3.403 -3.403 605 2HB ALA 76 HB2 ALA 76 6.077 -5.068 -5.068 606 3HB ALA 76 HB1 ALA 76 5.970 -4.737 -4.737 607 H VAL 77 HN VAL 77 8.863 -6.723 -6.723 608 HA VAL 77 HA VAL 77 9.304 -7.119 -7.119 609 HB VAL 77 HB VAL 77 11.412 -8.360 -8.360 610 1HG1 VAL 77 HG12 VAL 77 10.996 -5.418 -5.418 611 2HG1 VAL 77 HG11 VAL 77 12.580 -6.096 -6.096 612 3HG1 VAL 77 HG13 VAL 77 11.912 -6.271 -6.271 613 1HG2 VAL 77 HG21 VAL 77 10.426 -8.279 -8.279 614 2HG2 VAL 77 HG23 VAL 77 12.138 -8.490 -8.490 615 3HG2 VAL 77 HG22 VAL 77 11.515 -6.892 -6.892 616 1H ACE 0 HA1 ACE 0 20.272 -2.541 -2.541 617 2H ACE 0 HA2 ACE 0 21.263 -2.768 -2.768 618 3H ACE 0 HA3 ACE 0 20.230 -1.347 -1.347 619 H MET 1 HN MET 1 17.809 -1.946 -1.946 620 HA MET 1 HA MET 1 17.162 -4.220 -4.220 621 1HB MET 1 HB2 MET 1 15.932 -1.495 -1.495 622 2HB MET 1 HB1 MET 1 14.973 -2.822 -2.822 623 1HG MET 1 HG2 MET 1 16.597 -3.163 -3.163 624 2HG MET 1 HG1 MET 1 17.642 -1.915 -1.915 625 1HE MET 1 HE1 MET 1 16.851 0.108 0.108 626 2HE MET 1 HE3 MET 1 15.360 0.960 0.960 627 3HE MET 1 HE2 MET 1 16.795 1.131 1.131 628 H ASP 2 HN ASP 2 16.640 -5.873 -5.873 629 HA ASP 2 HA ASP 2 14.354 -5.338 -5.338 630 1HB ASP 2 HB2 ASP 2 17.003 -5.668 -5.668 631 2HB ASP 2 HB1 ASP 2 16.200 -7.205 -7.205 632 H LEU 3 HN LEU 3 14.804 -6.817 -6.817 633 HA LEU 3 HA LEU 3 14.029 -9.543 -9.543 634 1HB LEU 3 HB2 LEU 3 14.830 -10.434 -10.434 635 2HB LEU 3 HB1 LEU 3 16.074 -9.331 -9.331 636 HG LEU 3 HG LEU 3 13.973 -8.179 -8.179 637 1HD1 LEU 3 HD11 LEU 3 14.574 -10.367 -10.367 638 2HD1 LEU 3 HD13 LEU 3 16.263 -9.863 -9.863 639 3HD1 LEU 3 HD12 LEU 3 15.082 -8.979 -8.979 640 1HD2 LEU 3 HD22 LEU 3 16.298 -7.265 -7.265 641 2HD2 LEU 3 HD21 LEU 3 15.559 -6.576 -6.576 642 3HD2 LEU 3 HD23 LEU 3 16.858 -7.759 -7.759 643 H VAL 4 HN VAL 4 12.927 -6.721 -6.721 644 HA VAL 4 HA VAL 4 10.740 -8.065 -8.065 645 HB VAL 4 HB VAL 4 10.116 -5.883 -5.883 646 1HG1 VAL 4 HG11 VAL 4 13.024 -6.503 -6.503 647 2HG1 VAL 4 HG13 VAL 4 12.589 -4.880 -4.880 648 3HG1 VAL 4 HG12 VAL 4 12.003 -6.288 -6.288 649 1HG2 VAL 4 HG22 VAL 4 11.665 -4.988 -4.988 650 2HG2 VAL 4 HG21 VAL 4 10.024 -4.561 -4.561 651 3HG2 VAL 4 HG23 VAL 4 11.402 -3.882 -3.882 652 H LYS 5 HN LYS 5 11.246 -6.432 -6.432 653 HA LYS 5 HA LYS 5 8.337 -6.706 -6.706 654 1HB LYS 5 HB2 LYS 5 9.978 -4.556 -4.556 655 2HB LYS 5 HB1 LYS 5 10.107 -5.369 -5.369 656 1HG LYS 5 HG2 LYS 5 8.027 -4.729 -4.729 657 2HG LYS 5 HG1 LYS 5 7.357 -5.340 -5.340 658 1HD LYS 5 HD2 LYS 5 7.544 -3.302 -3.302 659 2HD LYS 5 HD1 LYS 5 8.933 -2.804 -2.804 660 1HE LYS 5 HE2 LYS 5 7.600 -2.163 -2.163 661 2HE LYS 5 HE1 LYS 5 6.239 -3.153 -3.153 662 1HZ LYS 5 HZ1 LYS 5 6.884 -1.277 -1.277 663 2HZ LYS 5 HZ3 LYS 5 6.680 -0.465 -0.465 664 3HZ LYS 5 HZ2 LYS 5 5.435 -1.450 -1.450 665 H ASN 6 HN ASN 6 10.092 -9.000 -9.000 666 HA ASN 6 HA ASN 6 9.908 -9.829 -9.829 667 1HB ASN 6 HB2 ASN 6 12.301 -9.265 -9.265 668 2HB ASN 6 HB1 ASN 6 12.161 -11.022 -11.022 669 1HD2 ASN 6 HD22 ASN 6 13.262 -11.302 -11.302 670 2HD2 ASN 6 HD21 ASN 6 13.257 -11.924 -11.924 671 H HIS 7 HN HIS 7 10.624 -10.977 -10.977 672 HA HIS 7 HA HIS 7 9.546 -13.626 -13.626 673 1HB HIS 7 HB2 HIS 7 10.054 -14.123 -14.123 674 2HB HIS 7 HB1 HIS 7 11.449 -13.409 -13.409 675 HD1 HIS 7 HD1 HIS 7 11.842 -12.870 -12.870 676 HD2 HIS 7 HD2 HIS 7 9.089 -10.568 -10.568 677 HE1 HIS 7 HE1 HIS 7 11.495 -10.751 -10.751 678 H LEU 8 HN LEU 8 7.606 -11.602 -11.602 679 HA LEU 8 HA LEU 8 5.931 -11.347 -11.347 680 1HB LEU 8 HB2 LEU 8 5.529 -10.804 -10.804 681 2HB LEU 8 HB1 LEU 8 4.207 -10.625 -10.625 682 HG LEU 8 HG LEU 8 5.413 -8.968 -8.968 683 1HD1 LEU 8 HD12 LEU 8 7.741 -9.763 -9.763 684 2HD1 LEU 8 HD11 LEU 8 7.746 -8.346 -8.346 685 3HD1 LEU 8 HD13 LEU 8 7.599 -9.951 -9.951 686 1HD2 LEU 8 HD23 LEU 8 4.448 -8.421 -8.421 687 2HD2 LEU 8 HD22 LEU 8 5.432 -7.219 -7.219 688 3HD2 LEU 8 HD21 LEU 8 6.147 -8.222 -8.222 689 H MET 9 HN MET 9 6.599 -13.820 -13.820 690 HA MET 9 HA MET 9 3.936 -15.047 -15.047 691 1HB MET 9 HB2 MET 9 6.385 -15.669 -15.669 692 2HB MET 9 HB1 MET 9 5.541 -17.085 -17.085 693 1HG MET 9 HG2 MET 9 3.583 -15.274 -15.274 694 2HG MET 9 HG1 MET 9 4.837 -15.473 -15.473 695 1HE MET 9 HE1 MET 9 4.925 -17.231 -17.231 696 2HE MET 9 HE3 MET 9 5.928 -18.013 -18.013 697 3HE MET 9 HE2 MET 9 4.705 -18.939 -18.939 698 H TYR 10 HN TYR 10 6.792 -14.712 -14.712 699 HA TYR 10 HA TYR 10 6.627 -17.207 -17.207 700 1HB TYR 10 HB2 TYR 10 8.695 -16.602 -16.602 701 2HB TYR 10 HB1 TYR 10 8.684 -15.537 -15.537 702 HD1 TYR 10 HD1 TYR 10 6.652 -13.404 -13.404 703 HD2 TYR 10 HD2 TYR 10 10.089 -15.360 -15.360 704 HE1 TYR 10 HE1 TYR 10 7.009 -11.495 -11.495 705 HE2 TYR 10 HE2 TYR 10 10.438 -13.444 -13.444 706 HH TYR 10 HH TYR 10 8.465 -11.449 -11.449 707 H ALA 11 HN ALA 11 5.028 -14.301 -14.301 708 HA ALA 11 HA ALA 11 3.539 -14.665 -14.665 709 1HB ALA 11 HB1 ALA 11 5.985 -13.838 -13.838 710 2HB ALA 11 HB3 ALA 11 5.371 -12.284 -12.284 711 3HB ALA 11 HB2 ALA 11 4.587 -13.106 -13.106 712 H VAL 12 HN VAL 12 4.909 -12.514 -12.514 713 HA VAL 12 HA VAL 12 3.861 -11.121 -11.121 714 HB VAL 12 HB VAL 12 1.716 -12.552 -12.552 715 1HG1 VAL 12 HG12 VAL 12 1.520 -10.689 -10.689 716 2HG1 VAL 12 HG11 VAL 12 0.708 -9.802 -9.802 717 3HG1 VAL 12 HG13 VAL 12 0.087 -11.367 -11.367 718 1HG2 VAL 12 HG23 VAL 12 2.318 -11.106 -11.106 719 2HG2 VAL 12 HG22 VAL 12 0.644 -11.572 -11.572 720 3HG2 VAL 12 HG21 VAL 12 1.197 -9.948 -9.948 721 H ARG 13 HN ARG 13 3.313 -10.701 -10.701 722 HA ARG 13 HA ARG 13 3.347 -8.723 -8.723 723 1HB ARG 13 HB2 ARG 13 5.785 -9.224 -9.224 724 2HB ARG 13 HB1 ARG 13 5.580 -7.486 -7.486 725 1HG ARG 13 HG2 ARG 13 5.766 -7.610 -7.610 726 2HG ARG 13 HG1 ARG 13 4.999 -9.197 -9.197 727 1HD ARG 13 HD2 ARG 13 6.973 -10.329 -10.329 728 2HD ARG 13 HD1 ARG 13 7.665 -8.994 -8.994 729 HE ARG 13 HE ARG 13 8.734 -8.466 -8.466 730 1HH1 ARG 13 HH21 ARG 13 6.526 -10.677 -10.677 731 2HH1 ARG 13 HH22 ARG 13 6.103 -9.886 -9.886 732 1HH2 ARG 13 HH11 ARG 13 7.753 -6.941 -6.941 733 2HH2 ARG 13 HH12 ARG 13 6.798 -7.772 -7.772 734 H GLU 14 HN GLU 14 1.477 -7.559 -7.559 735 HA GLU 14 HA GLU 14 1.816 -4.970 -4.970 736 1HB GLU 14 HB2 GLU 14 0.791 -5.259 -5.259 737 2HB GLU 14 HB1 GLU 14 2.445 -5.844 -5.844 738 1HG GLU 14 HG2 GLU 14 1.838 -8.035 -8.035 739 2HG GLU 14 HG1 GLU 14 0.317 -7.813 -7.813 740 H GLU 15 HN GLU 15 0.242 -6.321 -6.321 741 HA GLU 15 HA GLU 15 -2.514 -5.826 -5.826 742 1HB GLU 15 HB2 GLU 15 -1.469 -7.809 -7.809 743 2HB GLU 15 HB1 GLU 15 -3.159 -7.307 -7.307 744 1HG GLU 15 HG2 GLU 15 -2.501 -7.839 -7.839 745 2HG GLU 15 HG1 GLU 15 -1.909 -9.195 -9.195 746 H VAL 16 HN VAL 16 -1.208 -3.574 -3.574 747 HA VAL 16 HA VAL 16 -1.687 -1.712 -1.712 748 HB VAL 16 HB VAL 16 -3.838 -3.553 -3.553 749 1HG1 VAL 16 HG11 VAL 16 -2.877 -1.784 -1.784 750 2HG1 VAL 16 HG13 VAL 16 -4.489 -2.494 -2.494 751 3HG1 VAL 16 HG12 VAL 16 -3.073 -3.536 -3.536 752 1HG2 VAL 16 HG23 VAL 16 -3.616 -1.179 -1.179 753 2HG2 VAL 16 HG22 VAL 16 -5.108 -1.665 -1.665 754 3HG2 VAL 16 HG21 VAL 16 -3.965 -0.607 -0.607 755 H GLU 17 HN GLU 17 -0.867 -4.759 -4.759 756 HA GLU 17 HA GLU 17 0.034 -3.508 -3.508 757 1HB GLU 17 HB2 GLU 17 0.907 -5.630 -5.630 758 2HB GLU 17 HB1 GLU 17 -0.501 -5.999 -5.999 759 1HG GLU 17 HG2 GLU 17 1.187 -6.001 -6.001 760 2HG GLU 17 HG1 GLU 17 2.414 -6.175 -6.175 761 H ILE 18 HN ILE 18 1.608 -4.288 -4.288 762 HA ILE 18 HA ILE 18 4.282 -3.693 -3.693 763 HB ILE 18 HB ILE 18 3.691 -4.963 -4.963 764 1HG1 ILE 18 HG12 ILE 18 5.380 -2.656 -2.656 765 2HG1 ILE 18 HG11 ILE 18 5.896 -3.536 -3.536 766 1HG2 ILE 18 HG21 ILE 18 1.913 -3.422 -3.422 767 2HG2 ILE 18 HG23 ILE 18 3.120 -2.161 -2.161 768 3HG2 ILE 18 HG22 ILE 18 3.158 -3.626 -3.626 769 1HD1 ILE 18 HD13 ILE 18 5.267 -5.596 -5.596 770 2HD1 ILE 18 HD12 ILE 18 5.887 -4.392 -4.392 771 3HD1 ILE 18 HD11 ILE 18 6.891 -4.943 -4.943 772 H LEU 19 HN LEU 19 1.586 -1.727 -1.727 773 HA LEU 19 HA LEU 19 3.240 0.662 0.662 774 1HB LEU 19 HB2 LEU 19 0.228 0.386 0.386 775 2HB LEU 19 HB1 LEU 19 1.099 1.795 1.795 776 HG LEU 19 HG LEU 19 1.358 -0.956 -0.956 777 1HD1 LEU 19 HD13 LEU 19 -0.985 0.353 0.353 778 2HD1 LEU 19 HD12 LEU 19 -0.201 1.209 1.209 779 3HD1 LEU 19 HD11 LEU 19 -0.411 -0.540 -0.540 780 1HD2 LEU 19 HD22 LEU 19 2.575 1.668 1.668 781 2HD2 LEU 19 HD21 LEU 19 3.061 0.101 0.101 782 3HD2 LEU 19 HD23 LEU 19 1.830 1.054 1.054 783 H LYS 20 HN LYS 20 0.889 -0.459 -0.459 784 HA LYS 20 HA LYS 20 1.292 1.849 1.849 785 1HB LYS 20 HB2 LYS 20 -0.393 -0.483 -0.483 786 2HB LYS 20 HB1 LYS 20 0.386 -0.355 -0.355 787 1HG LYS 20 HG2 LYS 20 -0.290 2.114 2.114 788 2HG LYS 20 HG1 LYS 20 -1.325 1.707 1.707 789 1HD LYS 20 HD2 LYS 20 -1.442 0.284 0.284 790 2HD LYS 20 HD1 LYS 20 -2.498 1.626 1.626 791 1HE LYS 20 HE2 LYS 20 -2.312 -0.616 -0.616 792 2HE LYS 20 HE1 LYS 20 -3.173 -0.944 -0.944 793 1HZ LYS 20 HZ3 LYS 20 -3.722 1.466 1.466 794 2HZ LYS 20 HZ2 LYS 20 -4.519 -0.009 -0.009 795 3HZ LYS 20 HZ1 LYS 20 -4.681 0.776 0.776 796 H GLU 21 HN GLU 21 3.011 -1.061 -1.061 797 HA GLU 21 HA GLU 21 4.368 -1.134 -1.134 798 1HB GLU 21 HB2 GLU 21 4.031 -3.193 -3.193 799 2HB GLU 21 HB1 GLU 21 5.100 -2.517 -2.517 800 1HG GLU 21 HG2 GLU 21 6.606 -2.220 -2.220 801 2HG GLU 21 HG1 GLU 21 5.764 -3.736 -3.736 802 H GLN 22 HN GLN 22 5.072 -0.004 -0.004 803 HA GLN 22 HA GLN 22 7.760 0.878 0.878 804 1HB GLN 22 HB2 GLN 22 7.853 1.798 1.798 805 2HB GLN 22 HB1 GLN 22 6.979 0.271 0.271 806 1HG GLN 22 HG2 GLN 22 4.833 1.504 1.504 807 2HG GLN 22 HG1 GLN 22 5.722 3.025 3.025 808 1HE2 GLN 22 HE22 GLN 22 5.069 2.774 2.774 809 2HE2 GLN 22 HE21 GLN 22 4.322 3.282 3.282 810 H ILE 23 HN ILE 23 4.537 2.227 2.227 811 HA ILE 23 HA ILE 23 5.438 4.982 4.982 812 HB ILE 23 HB ILE 23 2.897 3.570 3.570 813 1HG1 ILE 23 HG12 ILE 23 2.438 6.216 6.216 814 2HG1 ILE 23 HG11 ILE 23 4.189 6.129 6.129 815 1HG2 ILE 23 HG21 ILE 23 3.141 5.642 5.642 816 2HG2 ILE 23 HG23 ILE 23 1.640 5.453 5.453 817 3HG2 ILE 23 HG22 ILE 23 2.278 4.104 4.104 818 1HD1 ILE 23 HD12 ILE 23 3.884 4.188 4.188 819 2HD1 ILE 23 HD11 ILE 23 2.136 4.388 4.388 820 3HD1 ILE 23 HD13 ILE 23 3.113 5.655 5.655 821 H ARG 24 HN ARG 24 4.386 2.339 2.339 822 HA ARG 24 HA ARG 24 4.597 3.963 3.963 823 1HB ARG 24 HB2 ARG 24 3.778 1.256 1.256 824 2HB ARG 24 HB1 ARG 24 4.833 1.264 1.264 825 1HG ARG 24 HG2 ARG 24 3.376 3.158 3.158 826 2HG ARG 24 HG1 ARG 24 2.235 2.760 2.760 827 1HD ARG 24 HD2 ARG 24 1.449 1.008 1.008 828 2HD ARG 24 HD1 ARG 24 3.075 0.347 0.347 829 HE ARG 24 HE ARG 24 3.162 1.269 1.269 830 1HH1 ARG 24 HH11 ARG 24 0.741 2.791 2.791 831 2HH1 ARG 24 HH12 ARG 24 -0.011 3.591 3.591 832 1HH2 ARG 24 HH21 ARG 24 2.142 2.242 2.242 833 2HH2 ARG 24 HH22 ARG 24 0.782 3.281 3.281 834 H GLU 25 HN GLU 25 6.711 1.939 1.939 835 HA GLU 25 HA GLU 25 8.790 1.701 1.701 836 1HB GLU 25 HB2 GLU 25 8.532 0.120 0.120 837 2HB GLU 25 HB1 GLU 25 9.019 1.426 1.426 838 1HG GLU 25 HG2 GLU 25 11.177 1.605 1.605 839 2HG GLU 25 HG1 GLU 25 10.694 0.354 0.354 840 H LEU 26 HN LEU 26 8.127 3.851 3.851 841 HA LEU 26 HA LEU 26 10.592 5.372 5.372 842 1HB LEU 26 HB2 LEU 26 8.212 5.562 5.562 843 2HB LEU 26 HB1 LEU 26 9.165 7.020 7.020 844 HG LEU 26 HG LEU 26 10.795 4.627 4.627 845 1HD1 LEU 26 HD12 LEU 26 8.569 4.593 4.593 846 2HD1 LEU 26 HD11 LEU 26 9.501 5.752 5.752 847 3HD1 LEU 26 HD13 LEU 26 10.138 4.134 4.134 848 1HD2 LEU 26 HD21 LEU 26 10.631 7.444 7.444 849 2HD2 LEU 26 HD23 LEU 26 11.795 6.827 6.827 850 3HD2 LEU 26 HD22 LEU 26 11.849 6.271 6.271 851 H VAL 27 HN VAL 27 7.316 5.448 5.448 852 HA VAL 27 HA VAL 27 7.528 8.192 8.192 853 HB VAL 27 HB VAL 27 5.478 5.988 5.988 854 1HG1 VAL 27 HG13 VAL 27 6.008 8.234 8.234 855 2HG1 VAL 27 HG12 VAL 27 4.506 8.545 8.545 856 3HG1 VAL 27 HG11 VAL 27 4.677 7.083 7.083 857 1HG2 VAL 27 HG23 VAL 27 5.926 7.863 7.863 858 2HG2 VAL 27 HG22 VAL 27 4.458 6.918 6.918 859 3HG2 VAL 27 HG21 VAL 27 4.598 8.534 8.534 860 H GLU 28 HN GLU 28 8.160 4.944 4.944 861 HA GLU 28 HA GLU 28 8.363 5.629 5.629 862 1HB GLU 28 HB2 GLU 28 8.964 3.178 3.178 863 2HB GLU 28 HB1 GLU 28 9.524 3.291 3.291 864 1HG GLU 28 HG2 GLU 28 7.228 3.666 3.666 865 2HG GLU 28 HG1 GLU 28 6.644 3.625 3.625 866 H LYS 29 HN LYS 29 10.510 5.149 5.149 867 HA LYS 29 HA LYS 29 12.956 5.510 5.510 868 1HB LYS 29 HB2 LYS 29 12.376 4.585 4.585 869 2HB LYS 29 HB1 LYS 29 13.061 6.176 6.176 870 1HG LYS 29 HG2 LYS 29 15.089 5.214 5.214 871 2HG LYS 29 HG1 LYS 29 14.732 5.128 5.128 872 1HD LYS 29 HD2 LYS 29 13.361 2.952 2.952 873 2HD LYS 29 HD1 LYS 29 14.791 2.981 2.981 874 1HE LYS 29 HE2 LYS 29 15.276 3.427 3.427 875 2HE LYS 29 HE1 LYS 29 14.751 1.805 1.805 876 1HZ LYS 29 HZ1 LYS 29 16.838 3.060 3.060 877 2HZ LYS 29 HZ3 LYS 29 17.270 2.513 2.513 878 3HZ LYS 29 HZ2 LYS 29 16.619 1.427 1.427 879 H ASN 30 HN ASN 30 10.780 7.535 7.535 880 HA ASN 30 HA ASN 30 12.416 9.918 9.918 881 1HB ASN 30 HB2 ASN 30 10.577 9.597 9.597 882 2HB ASN 30 HB1 ASN 30 9.406 9.674 9.674 883 1HD2 ASN 30 HD22 ASN 30 11.176 13.106 13.106 884 2HD2 ASN 30 HD21 ASN 30 11.729 11.594 11.594 885 H SER 31 HN SER 31 9.862 8.497 8.497 886 HA SER 31 HA SER 31 9.607 10.718 10.718 887 1HB SER 31 HB2 SER 31 8.372 9.172 9.172 888 2HB SER 31 HB1 SER 31 7.932 8.838 8.838 889 HG SER 31 HG SER 31 9.679 7.417 7.417 890 H GLN 32 HN GLN 32 11.674 7.886 7.886 891 HA GLN 32 HA GLN 32 12.864 8.138 8.138 892 1HB GLN 32 HB2 GLN 32 13.031 6.335 6.335 893 2HB GLN 32 HB1 GLN 32 14.657 6.985 6.985 894 1HG GLN 32 HG2 GLN 32 14.760 6.283 6.283 895 2HG GLN 32 HG1 GLN 32 13.025 5.975 5.975 896 1HE2 GLN 32 HE22 GLN 32 14.020 2.583 2.583 897 2HE2 GLN 32 HE21 GLN 32 13.514 3.704 3.704 898 H LEU 33 HN LEU 33 13.499 9.479 9.479 899 HA LEU 33 HA LEU 33 16.013 10.732 10.732 900 1HB LEU 33 HB2 LEU 33 14.437 10.516 10.516 901 2HB LEU 33 HB1 LEU 33 15.386 11.992 11.992 902 HG LEU 33 HG LEU 33 16.646 10.133 10.133 903 1HD1 LEU 33 HD12 LEU 33 17.439 11.759 11.759 904 2HD1 LEU 33 HD11 LEU 33 18.344 10.247 10.247 905 3HD1 LEU 33 HD13 LEU 33 18.385 11.291 11.291 906 1HD2 LEU 33 HD22 LEU 33 15.456 8.530 8.530 907 2HD2 LEU 33 HD21 LEU 33 16.905 8.080 8.080 908 3HD2 LEU 33 HD23 LEU 33 17.048 8.756 8.756 909 H GLU 34 HN GLU 34 12.654 11.440 11.440 910 HA GLU 34 HA GLU 34 13.003 14.352 14.352 911 1HB GLU 34 HB2 GLU 34 10.897 13.509 13.509 912 2HB GLU 34 HB1 GLU 34 10.637 12.548 12.548 913 1HG GLU 34 HG2 GLU 34 9.921 14.341 14.341 914 2HG GLU 34 HG1 GLU 34 11.109 15.425 15.425 915 H ARG 35 HN ARG 35 12.649 11.640 11.640 916 HA ARG 35 HA ARG 35 12.468 13.325 13.325 917 1HB ARG 35 HB2 ARG 35 11.790 10.744 10.744 918 2HB ARG 35 HB1 ARG 35 13.372 10.507 10.507 919 1HG ARG 35 HG2 ARG 35 12.209 10.635 10.635 920 2HG ARG 35 HG1 ARG 35 12.290 12.374 12.374 921 1HD ARG 35 HD2 ARG 35 10.027 12.317 12.317 922 2HD ARG 35 HD1 ARG 35 10.128 11.628 11.628 923 HE ARG 35 HE ARG 35 9.197 9.707 9.707 924 1HH1 ARG 35 HH21 ARG 35 9.976 11.581 11.581 925 2HH1 ARG 35 HH22 ARG 35 10.416 10.277 10.277 926 1HH2 ARG 35 HH11 ARG 35 10.353 7.882 7.882 927 2HH2 ARG 35 HH12 ARG 35 10.628 8.186 8.186 928 H GLU 36 HN GLU 36 15.002 11.587 11.587 929 HA GLU 36 HA GLU 36 17.025 12.223 12.223 930 1HB GLU 36 HB2 GLU 36 16.972 10.770 10.770 931 2HB GLU 36 HB1 GLU 36 18.517 11.435 11.435 932 1HG GLU 36 HG2 GLU 36 18.601 10.082 10.082 933 2HG GLU 36 HG1 GLU 36 16.850 9.881 9.881 934 H ASN 37 HN ASN 37 15.919 13.500 13.500 935 HA ASN 37 HA ASN 37 18.126 15.371 15.371 936 1HB ASN 37 HB2 ASN 37 16.760 14.572 14.572 937 2HB ASN 37 HB1 ASN 37 15.368 15.428 15.428 938 1HD2 ASN 37 HD22 ASN 37 16.335 18.328 18.328 939 2HD2 ASN 37 HD21 ASN 37 15.093 17.257 17.257 940 H THR 38 HN THR 38 14.879 15.462 15.462 941 HA THR 38 HA THR 38 14.893 18.320 18.320 942 HB THR 38 HB THR 38 12.809 16.938 16.938 943 HG1 THR 38 HG1 THR 38 13.059 18.957 18.957 944 1HG2 THR 38 HG23 THR 38 14.009 15.077 15.077 945 2HG2 THR 38 HG22 THR 38 13.417 15.993 15.993 946 3HG2 THR 38 HG21 THR 38 12.277 15.335 15.335 947 H LEU 39 HN LEU 39 15.868 15.450 15.450 948 HA LEU 39 HA LEU 39 16.369 16.917 16.917 949 1HB LEU 39 HB2 LEU 39 16.526 14.157 14.157 950 2HB LEU 39 HB1 LEU 39 17.933 14.596 14.596 951 HG LEU 39 HG LEU 39 16.211 13.783 13.783 952 1HD1 LEU 39 HD13 LEU 39 17.459 16.226 16.226 953 2HD1 LEU 39 HD12 LEU 39 15.767 16.649 16.649 954 3HD1 LEU 39 HD11 LEU 39 16.543 15.438 15.438 955 1HD2 LEU 39 HD22 LEU 39 14.499 15.565 15.565 956 2HD2 LEU 39 HD21 LEU 39 14.146 13.968 13.968 957 3HD2 LEU 39 HD23 LEU 39 14.069 15.388 15.388 958 H LEU 40 HN LEU 40 18.253 15.986 15.986 959 HA LEU 40 HA LEU 40 20.779 16.883 16.883 960 1HB LEU 40 HB2 LEU 40 19.993 16.135 16.135 961 2HB LEU 40 HB1 LEU 40 21.631 16.574 16.574 962 HG LEU 40 HG LEU 40 20.067 14.344 14.344 963 1HD1 LEU 40 HD13 LEU 40 21.527 14.433 14.433 964 2HD1 LEU 40 HD12 LEU 40 22.058 13.149 13.149 965 3HD1 LEU 40 HD11 LEU 40 20.368 13.243 13.243 966 1HD2 LEU 40 HD23 LEU 40 22.067 15.524 15.524 967 2HD2 LEU 40 HD22 LEU 40 22.142 13.767 13.767 968 3HD2 LEU 40 HD21 LEU 40 23.057 14.773 14.773 969 H LYS 41 HN LYS 41 18.154 18.260 18.260 970 HA LYS 41 HA LYS 41 19.651 20.608 20.608 971 1HB LYS 41 HB2 LYS 41 17.636 19.707 19.707 972 2HB LYS 41 HB1 LYS 41 16.648 20.214 20.214 973 1HG LYS 41 HG2 LYS 41 17.543 22.549 22.549 974 2HG LYS 41 HG1 LYS 41 18.310 21.990 21.990 975 1HD LYS 41 HD2 LYS 41 15.400 21.418 21.418 976 2HD LYS 41 HD1 LYS 41 15.875 23.061 23.061 977 1HE LYS 41 HE2 LYS 41 16.080 22.414 22.414 978 2HE LYS 41 HE1 LYS 41 17.377 21.321 21.321 979 1HZ LYS 41 HZ3 LYS 41 14.527 20.591 20.591 980 2HZ LYS 41 HZ2 LYS 41 15.383 20.301 20.301 981 3HZ LYS 41 HZ1 LYS 41 15.881 19.570 19.570 982 H THR 42 HN THR 42 17.490 19.746 19.746 983 HA THR 42 HA THR 42 17.494 22.481 22.481 984 HB THR 42 HB THR 42 16.171 21.534 21.534 985 HG1 THR 42 HG1 THR 42 15.921 19.020 19.020 986 1HG2 THR 42 HG23 THR 42 15.476 20.578 20.578 987 2HG2 THR 42 HG22 THR 42 14.373 20.387 20.387 988 3HG2 THR 42 HG21 THR 42 14.864 22.000 22.000 989 H LEU 43 HN LEU 43 19.224 19.475 19.475 990 HA LEU 43 HA LEU 43 20.495 20.254 20.254 991 1HB LEU 43 HB2 LEU 43 20.274 17.883 17.883 992 2HB LEU 43 HB1 LEU 43 21.309 18.175 18.175 993 HG LEU 43 HG LEU 43 22.605 19.173 19.173 994 1HD1 LEU 43 HD12 LEU 43 20.971 17.196 17.196 995 2HD1 LEU 43 HD11 LEU 43 22.308 16.214 16.214 996 3HD1 LEU 43 HD13 LEU 43 22.587 17.405 17.405 997 1HD2 LEU 43 HD22 LEU 43 23.102 17.167 17.167 998 2HD2 LEU 43 HD21 LEU 43 24.010 18.625 18.625 999 3HD2 LEU 43 HD23 LEU 43 24.174 17.180 17.180 1000 H ALA 44 HN ALA 44 21.488 20.217 20.217 1001 HA ALA 44 HA ALA 44 24.045 21.500 21.500 1002 1HB ALA 44 HB1 ALA 44 23.477 19.938 19.938 1003 2HB ALA 44 HB3 ALA 44 22.749 21.369 21.369 1004 3HB ALA 44 HB2 ALA 44 24.467 21.360 21.360 1005 H SER 45 HN SER 45 20.820 22.501 22.501 1006 HA SER 45 HA SER 45 21.707 25.332 25.332 1007 1HB SER 45 HB2 SER 45 21.520 25.315 25.315 1008 2HB SER 45 HB1 SER 45 20.284 24.060 24.060 1009 HG SER 45 HG SER 45 19.756 26.465 26.465 1010 HA PRO 46 HA PRO 46 17.973 24.394 24.394 1011 1HB PRO 46 HB2 PRO 46 19.003 25.445 25.445 1012 2HB PRO 46 HB1 PRO 46 19.219 23.757 23.757 1013 1HG PRO 46 HG2 PRO 46 21.189 25.996 25.996 1014 2HG PRO 46 HG1 PRO 46 21.474 24.253 24.253 1015 1HD PRO 46 HD2 PRO 46 21.781 25.800 25.800 1016 2HD PRO 46 HD1 PRO 46 21.732 24.026 24.026 1017 H GLU 47 HN GLU 47 20.056 27.294 27.294 1018 HA GLU 47 HA GLU 47 19.513 29.571 29.571 1019 1HB GLU 47 HB2 GLU 47 16.803 28.619 28.619 1020 2HB GLU 47 HB1 GLU 47 17.521 30.210 30.210 1021 1HG GLU 47 HG2 GLU 47 19.198 29.339 29.339 1022 2HG GLU 47 HG1 GLU 47 18.827 27.675 27.675 1023 H GLN 48 HN GLN 48 16.971 30.791 30.791 1024 HA GLN 48 HA GLN 48 15.838 29.831 29.831 1025 1HB GLN 48 HB2 GLN 48 18.290 31.197 31.197 1026 2HB GLN 48 HB1 GLN 48 17.048 32.381 32.381 1027 1HG GLN 48 HG2 GLN 48 16.543 31.328 31.328 1028 2HG GLN 48 HG1 GLN 48 16.498 29.749 29.749 1029 1HE2 GLN 48 HE22 GLN 48 19.904 28.980 28.980 1030 2HE2 GLN 48 HE21 GLN 48 18.604 28.604 28.604 1031 H LEU 49 HN LEU 49 14.152 30.293 30.293 1032 HA LEU 49 HA LEU 49 13.580 33.137 33.137 1033 1HB LEU 49 HB2 LEU 49 12.724 30.598 30.598 1034 2HB LEU 49 HB1 LEU 49 11.578 31.926 31.926 1035 HG LEU 49 HG LEU 49 14.280 32.609 32.609 1036 1HD1 LEU 49 HD13 LEU 49 12.698 30.412 30.412 1037 2HD1 LEU 49 HD12 LEU 49 13.678 31.485 31.485 1038 3HD1 LEU 49 HD11 LEU 49 14.439 30.509 30.509 1039 1HD2 LEU 49 HD21 LEU 49 11.874 33.748 33.748 1040 2HD2 LEU 49 HD23 LEU 49 13.106 34.006 34.006 1041 3HD2 LEU 49 HD22 LEU 49 11.830 32.817 32.817 1042 H GLU 50 HN GLU 50 11.941 30.312 30.312 1043 HA GLU 50 HA GLU 50 10.812 30.789 30.789 1044 1HB GLU 50 HB2 GLU 50 8.874 32.316 32.316 1045 2HB GLU 50 HB1 GLU 50 10.371 33.176 33.176 1046 1HG GLU 50 HG2 GLU 50 9.450 33.838 33.838 1047 2HG GLU 50 HG1 GLU 50 9.503 32.156 32.156 1048 H LYS 51 HN LYS 51 10.748 29.098 29.098 1049 HA LYS 51 HA LYS 51 9.460 27.302 27.302 1050 1HB LYS 51 HB2 LYS 51 7.448 28.087 28.087 1051 2HB LYS 51 HB1 LYS 51 7.749 26.501 26.501 1052 1HG LYS 51 HG2 LYS 51 9.430 28.018 28.018 1053 2HG LYS 51 HG1 LYS 51 8.725 26.414 26.414 1054 1HD LYS 51 HD2 LYS 51 10.669 25.550 25.550 1055 2HD LYS 51 HD1 LYS 51 10.339 26.270 26.270 1056 1HE LYS 51 HE2 LYS 51 11.262 28.444 28.444 1057 2HE LYS 51 HE1 LYS 51 12.188 27.161 27.161 1058 1HZ LYS 51 HZ2 LYS 51 12.135 26.704 26.704 1059 2HZ LYS 51 HZ1 LYS 51 12.627 28.307 28.307 1060 3HZ LYS 51 HZ3 LYS 51 13.474 27.028 27.028 1061 H PHE 52 HN PHE 52 8.132 27.211 27.211 1062 HA PHE 52 HA PHE 52 5.604 28.514 28.514 1063 1HB PHE 52 HB2 PHE 52 6.806 30.189 30.189 1064 2HB PHE 52 HB1 PHE 52 6.624 30.686 30.686 1065 HD1 PHE 52 HD2 PHE 52 8.849 28.740 28.740 1066 HD2 PHE 52 HD1 PHE 52 8.574 31.048 31.048 1067 HE1 PHE 52 HE2 PHE 52 11.189 28.278 28.278 1068 HE2 PHE 52 HE1 PHE 52 10.873 30.537 30.537 1069 HZ PHE 52 HZ PHE 52 12.216 29.166 29.166 1070 H GLN 53 HN GLN 53 5.634 28.886 28.886 1071 HA GLN 53 HA GLN 53 5.837 27.824 27.824 1072 1HB GLN 53 HB2 GLN 53 8.091 28.485 28.485 1073 2HB GLN 53 HB1 GLN 53 8.471 27.298 27.298 1074 1HG GLN 53 HG2 GLN 53 8.203 25.482 25.482 1075 2HG GLN 53 HG1 GLN 53 7.702 26.623 26.623 1076 1HE2 GLN 53 HE22 GLN 53 11.503 27.462 27.462 1077 2HE2 GLN 53 HE21 GLN 53 10.204 27.541 27.541 1078 H SER 54 HN SER 54 5.638 25.919 25.919 1079 HA SER 54 HA SER 54 4.782 23.774 23.774 1080 1HB SER 54 HB2 SER 54 3.407 23.015 23.015 1081 2HB SER 54 HB1 SER 54 3.729 24.591 24.591 1082 HG SER 54 HG SER 54 4.183 22.344 22.344 1083 H ARG 55 HN ARG 55 7.823 24.311 24.311 1084 HA ARG 55 HA ARG 55 8.287 21.408 21.408 1085 1HB ARG 55 HB2 ARG 55 10.465 22.042 22.042 1086 2HB ARG 55 HB1 ARG 55 9.020 22.498 22.498 1087 1HG ARG 55 HG2 ARG 55 9.842 24.578 24.578 1088 2HG ARG 55 HG1 ARG 55 9.558 24.694 24.694 1089 1HD ARG 55 HD2 ARG 55 11.811 23.665 23.665 1090 2HD ARG 55 HD1 ARG 55 12.083 23.694 23.694 1091 HE ARG 55 HE ARG 55 11.527 26.244 26.244 1092 1HH1 ARG 55 HH21 ARG 55 12.681 25.061 25.061 1093 2HH1 ARG 55 HH22 ARG 55 14.203 25.887 25.887 1094 1HH2 ARG 55 HH11 ARG 55 13.862 26.942 26.942 1095 2HH2 ARG 55 HH12 ARG 55 14.871 26.953 26.953 1096 H LEU 56 HN LEU 56 10.399 24.128 24.128 1097 HA LEU 56 HA LEU 56 12.029 22.596 22.596 1098 1HB LEU 56 HB2 LEU 56 11.093 25.008 25.008 1099 2HB LEU 56 HB1 LEU 56 12.724 24.546 24.546 1100 HG LEU 56 HG LEU 56 11.983 25.163 25.163 1101 1HD1 LEU 56 HD13 LEU 56 9.521 25.368 25.368 1102 2HD1 LEU 56 HD12 LEU 56 10.022 26.917 26.917 1103 3HD1 LEU 56 HD11 LEU 56 10.131 26.631 26.631 1104 1HD2 LEU 56 HD22 LEU 56 13.570 26.411 26.411 1105 2HD2 LEU 56 HD21 LEU 56 12.681 27.457 27.457 1106 3HD2 LEU 56 HD23 LEU 56 12.198 27.346 27.346 1107 H SER 57 HN SER 57 9.330 24.437 24.437 1108 HA SER 57 HA SER 57 8.932 22.216 22.216 1109 1HB SER 57 HB2 SER 57 9.067 23.966 23.966 1110 2HB SER 57 HB1 SER 57 8.867 25.140 25.140 1111 HG SER 57 HG SER 57 6.674 24.926 24.926 1112 HA PRO 58 HA PRO 58 5.067 21.434 21.434 1113 1HB PRO 58 HB2 PRO 58 3.958 19.915 19.915 1114 2HB PRO 58 HB1 PRO 58 5.188 19.336 19.336 1115 1HG PRO 58 HG2 PRO 58 5.479 20.060 20.060 1116 2HG PRO 58 HG1 PRO 58 6.448 18.940 18.940 1117 1HD PRO 58 HD2 PRO 58 7.170 21.592 21.592 1118 2HD PRO 58 HD1 PRO 58 7.985 20.573 20.573 1119 H GLU 59 HN GLU 59 3.884 23.269 23.269 1120 HA GLU 59 HA GLU 59 1.634 23.724 23.724 1121 1HB GLU 59 HB2 GLU 59 4.092 24.673 24.673 1122 2HB GLU 59 HB1 GLU 59 2.890 25.950 25.950 1123 1HG GLU 59 HG2 GLU 59 1.593 23.521 23.521 1124 2HG GLU 59 HG1 GLU 59 2.918 23.909 23.909 1125 H GLU 60 HN GLU 60 0.844 24.340 24.340 1126 HA GLU 60 HA GLU 60 0.860 27.093 27.093 1127 1HB GLU 60 HB2 GLU 60 3.170 25.653 25.653 1128 2HB GLU 60 HB1 GLU 60 2.200 26.230 26.230 1129 1HG GLU 60 HG2 GLU 60 2.722 28.100 28.100 1130 2HG GLU 60 HG1 GLU 60 4.016 27.803 27.803 1131 HA PRO 61 HA PRO 61 -2.438 24.938 24.938 1132 1HB PRO 61 HB2 PRO 61 -4.052 27.152 27.152 1133 2HB PRO 61 HB1 PRO 61 -3.941 26.160 26.160 1134 1HG PRO 61 HG2 PRO 61 -2.796 28.863 28.863 1135 2HG PRO 61 HG1 PRO 61 -3.256 28.119 28.119 1136 1HD PRO 61 HD2 PRO 61 -0.617 28.365 28.365 1137 2HD PRO 61 HD1 PRO 61 -1.126 27.349 27.349 1138 H ALA 62 HN ALA 62 -3.782 25.722 25.722 1139 HA ALA 62 HA ALA 62 -3.732 26.393 26.393 1140 1HB ALA 62 HB3 ALA 62 -3.096 28.616 28.616 1141 2HB ALA 62 HB2 ALA 62 -1.410 28.170 28.170 1142 3HB ALA 62 HB1 ALA 62 -2.501 28.374 28.374 1143 HA PRO 63 HA PRO 63 -0.550 23.713 23.713 1144 1HB PRO 63 HB2 PRO 63 -1.166 23.922 23.922 1145 2HB PRO 63 HB1 PRO 63 -2.110 22.956 22.956 1146 1HG PRO 63 HG2 PRO 63 -2.784 25.581 25.581 1147 2HG PRO 63 HG1 PRO 63 -3.866 24.326 24.326 1148 1HD PRO 63 HD2 PRO 63 -3.163 26.737 26.737 1149 2HD PRO 63 HD1 PRO 63 -3.997 25.347 25.347 1150 H GLU 64 HN GLU 64 1.080 23.858 23.858 1151 HA GLU 64 HA GLU 64 2.586 26.330 26.330 1152 1HB GLU 64 HB2 GLU 64 3.209 23.708 23.708 1153 2HB GLU 64 HB1 GLU 64 3.524 24.701 24.701 1154 1HG GLU 64 HG2 GLU 64 5.191 25.910 25.910 1155 2HG GLU 64 HG1 GLU 64 4.468 25.736 25.736 1156 H THR 65 HN THR 65 0.864 27.765 27.765 1157 HA THR 65 HA THR 65 1.215 28.088 28.088 1158 HB THR 65 HB THR 65 -0.840 26.896 26.896 1159 HG1 THR 65 HG1 THR 65 -2.377 28.579 28.579 1160 1HG2 THR 65 HG21 THR 65 -1.188 26.951 26.951 1161 2HG2 THR 65 HG23 THR 65 -1.673 28.642 28.642 1162 3HG2 THR 65 HG22 THR 65 -2.663 27.391 27.391 1163 HA PRO 66 HA PRO 66 1.433 32.318 32.318 1164 1HB PRO 66 HB2 PRO 66 0.911 33.439 33.439 1165 2HB PRO 66 HB1 PRO 66 2.458 32.689 32.689 1166 1HG PRO 66 HG2 PRO 66 0.273 31.632 31.632 1167 2HG PRO 66 HG1 PRO 66 2.010 31.287 31.287 1168 1HD PRO 66 HD2 PRO 66 0.031 29.600 29.600 1169 2HD PRO 66 HD1 PRO 66 1.783 29.459 29.459 1170 H GLU 67 HN GLU 67 -0.037 33.834 33.834 1171 HA GLU 67 HA GLU 67 -2.684 34.155 34.155 1172 1HB GLU 67 HB2 GLU 67 -2.367 32.223 32.223 1173 2HB GLU 67 HB1 GLU 67 -3.085 33.617 33.617 1174 1HG GLU 67 HG2 GLU 67 -4.919 32.329 32.329 1175 2HG GLU 67 HG1 GLU 67 -4.760 33.699 33.699 1176 H ALA 68 HN ALA 68 -4.017 35.650 35.650 1177 HA ALA 68 HA ALA 68 -2.512 38.081 38.081 1178 1HB ALA 68 HB2 ALA 68 -5.209 37.355 37.355 1179 2HB ALA 68 HB1 ALA 68 -4.851 37.950 37.950 1180 3HB ALA 68 HB3 ALA 68 -4.561 38.980 38.980 1181 HA PRO 69 HA PRO 69 -0.915 37.833 37.833 1182 1HB PRO 69 HB2 PRO 69 -1.632 40.238 40.238 1183 2HB PRO 69 HB1 PRO 69 -0.375 40.073 40.073 1184 1HG PRO 69 HG2 PRO 69 -3.143 41.145 41.145 1185 2HG PRO 69 HG1 PRO 69 -1.701 41.504 41.504 1186 1HD PRO 69 HD2 PRO 69 -3.821 39.781 39.781 1187 2HD PRO 69 HD1 PRO 69 -2.241 39.909 39.909 1188 H GLU 70 HN GLU 70 -2.256 36.124 36.124 1189 HA GLU 70 HA GLU 70 -4.879 36.535 36.535 1190 1HB GLU 70 HB2 GLU 70 -3.299 34.347 34.347 1191 2HB GLU 70 HB1 GLU 70 -3.201 34.495 34.495 1192 1HG GLU 70 HG2 GLU 70 -5.715 34.270 34.270 1193 2HG GLU 70 HG1 GLU 70 -5.104 33.096 33.096 1194 H ALA 71 HN ALA 71 -1.653 36.653 36.653 1195 HA ALA 71 HA ALA 71 -2.180 38.675 38.675 1196 1HB ALA 71 HB3 ALA 71 -3.505 36.187 36.187 1197 2HB ALA 71 HB2 ALA 71 -2.380 36.719 36.719 1198 3HB ALA 71 HB1 ALA 71 -3.670 37.793 37.793 1199 HA PRO 72 HA PRO 72 1.496 36.086 36.086 1200 1HB PRO 72 HB2 PRO 72 1.806 33.546 33.546 1201 2HB PRO 72 HB1 PRO 72 0.867 33.914 33.914 1202 1HG PRO 72 HG2 PRO 72 -0.104 33.210 33.210 1203 2HG PRO 72 HG1 PRO 72 -0.890 32.966 32.966 1204 1HD PRO 72 HD2 PRO 72 -1.498 35.012 35.012 1205 2HD PRO 72 HD1 PRO 72 -2.017 34.954 34.954 1206 H GLY 73 HN GLY 73 3.561 34.868 34.868 1207 1HA GLY 73 HA2 GLY 73 4.626 34.604 34.604 1208 2HA GLY 73 HA1 GLY 73 3.715 36.024 36.024 1209 H GLY 74 HN GLY 74 5.128 37.691 37.691 1210 1HA GLY 74 HA2 GLY 74 7.120 38.150 38.150 1211 2HA GLY 74 HA1 GLY 74 7.554 38.363 38.363 1212 H SER 75 HN SER 75 4.586 39.324 39.324 1213 HA SER 75 HA SER 75 5.116 42.114 42.114 1214 1HB SER 75 HB2 SER 75 2.810 42.433 42.433 1215 2HB SER 75 HB1 SER 75 2.993 40.750 40.750 1216 HG SER 75 HG SER 75 1.311 41.046 41.046 1217 H ALA 76 HN ALA 76 6.142 43.073 43.073 1218 HA ALA 76 HA ALA 76 4.751 42.873 42.873 1219 1HB ALA 76 HB3 ALA 76 7.680 42.973 42.973 1220 2HB ALA 76 HB2 ALA 76 7.116 43.523 43.523 1221 3HB ALA 76 HB1 ALA 76 6.838 41.856 41.856 1222 H VAL 77 HN VAL 77 4.199 44.792 44.792 1223 HA VAL 77 HA VAL 77 5.022 47.286 47.286 1224 HB VAL 77 HB VAL 77 4.460 47.234 47.234 1225 1HG1 VAL 77 HG11 VAL 77 4.682 49.335 49.335 1226 2HG1 VAL 77 HG13 VAL 77 6.407 48.966 48.966 1227 3HG1 VAL 77 HG12 VAL 77 5.560 49.309 49.309 1228 1HG2 VAL 77 HG22 VAL 77 7.047 46.553 46.553 1229 2HG2 VAL 77 HG21 VAL 77 6.203 45.596 45.596 1230 3HG2 VAL 77 HG23 VAL 77 6.997 47.104 47.104 Start of MODEL 3 1 1H ACE 0 HA1 ACE 0 0.010 -3.377 -3.377 2 2H ACE 0 HA2 ACE 0 0.676 -1.779 -1.779 3 3H ACE 0 HA3 ACE 0 0.242 -2.223 -2.223 4 H MET 1 HN MET 1 2.805 -1.301 -1.301 5 HA MET 1 HA MET 1 4.445 -3.317 -3.317 6 1HB MET 1 HB2 MET 1 4.006 -3.998 -3.998 7 2HB MET 1 HB1 MET 1 5.407 -2.946 -2.946 8 1HG MET 1 HG2 MET 1 5.673 -4.799 -4.799 9 2HG MET 1 HG1 MET 1 5.518 -5.614 -5.614 10 1HE MET 1 HE3 MET 1 7.457 -6.670 -6.670 11 2HE MET 1 HE2 MET 1 9.051 -6.072 -6.072 12 3HE MET 1 HE1 MET 1 8.530 -5.990 -5.990 13 H ASP 2 HN ASP 2 5.736 -1.959 -1.959 14 HA ASP 2 HA ASP 2 7.399 -0.324 -0.324 15 1HB ASP 2 HB2 ASP 2 7.612 -0.891 -0.891 16 2HB ASP 2 HB1 ASP 2 7.497 0.866 0.866 17 H LEU 3 HN LEU 3 4.269 0.124 0.124 18 HA LEU 3 HA LEU 3 4.450 3.090 3.090 19 1HB LEU 3 HB2 LEU 3 3.470 2.557 2.557 20 2HB LEU 3 HB1 LEU 3 2.392 1.368 1.368 21 HG LEU 3 HG LEU 3 1.951 3.781 3.781 22 1HD1 LEU 3 HD13 LEU 3 3.096 4.864 4.864 23 2HD1 LEU 3 HD12 LEU 3 1.822 4.209 4.209 24 3HD1 LEU 3 HD11 LEU 3 1.424 5.377 5.377 25 1HD2 LEU 3 HD21 LEU 3 0.452 1.778 1.778 26 2HD2 LEU 3 HD23 LEU 3 -0.252 3.355 3.355 27 3HD2 LEU 3 HD22 LEU 3 0.155 2.926 2.926 28 H VAL 4 HN VAL 4 2.393 0.269 0.269 29 HA VAL 4 HA VAL 4 0.747 1.593 1.593 30 HB VAL 4 HB VAL 4 0.153 -0.596 -0.596 31 1HG1 VAL 4 HG11 VAL 4 0.485 -0.040 -0.040 32 2HG1 VAL 4 HG13 VAL 4 0.608 -1.773 -1.773 33 3HG1 VAL 4 HG12 VAL 4 -0.829 -0.889 -0.889 34 1HG2 VAL 4 HG22 VAL 4 2.956 -1.148 -1.148 35 2HG2 VAL 4 HG21 VAL 4 1.880 -1.974 -1.974 36 3HG2 VAL 4 HG23 VAL 4 1.874 -2.414 -2.414 37 H LYS 5 HN LYS 5 4.009 0.390 0.390 38 HA LYS 5 HA LYS 5 4.089 1.117 1.117 39 1HB LYS 5 HB2 LYS 5 5.086 -1.161 -1.161 40 2HB LYS 5 HB1 LYS 5 6.452 -0.270 -0.270 41 1HG LYS 5 HG2 LYS 5 5.220 -0.235 -0.235 42 2HG LYS 5 HG1 LYS 5 4.058 -1.355 -1.355 43 1HD LYS 5 HD2 LYS 5 6.694 -2.317 -2.317 44 2HD LYS 5 HD1 LYS 5 6.588 -1.966 -1.966 45 1HE LYS 5 HE2 LYS 5 4.466 -3.283 -3.283 46 2HE LYS 5 HE1 LYS 5 4.695 -3.711 -3.711 47 1HZ LYS 5 HZ2 LYS 5 6.949 -4.559 -4.559 48 2HZ LYS 5 HZ1 LYS 5 6.382 -4.441 -4.441 49 3HZ LYS 5 HZ3 LYS 5 5.605 -5.471 -5.471 50 H ASN 6 HN ASN 6 4.162 3.203 3.203 51 HA ASN 6 HA ASN 6 6.895 4.247 4.247 52 1HB ASN 6 HB2 ASN 6 6.073 3.148 3.148 53 2HB ASN 6 HB1 ASN 6 6.043 4.900 4.900 54 1HD2 ASN 6 HD22 ASN 6 9.531 4.796 4.796 55 2HD2 ASN 6 HD21 ASN 6 8.007 5.271 5.271 56 H HIS 7 HN HIS 7 3.759 4.849 4.849 57 HA HIS 7 HA HIS 7 3.951 7.718 7.718 58 1HB HIS 7 HB2 HIS 7 1.702 7.815 7.815 59 2HB HIS 7 HB1 HIS 7 2.814 6.920 6.920 60 HD1 HIS 7 HD1 HIS 7 0.150 6.052 6.052 61 HD2 HIS 7 HD2 HIS 7 2.004 4.537 4.537 62 HE1 HIS 7 HE1 HIS 7 -1.057 3.899 3.899 63 H LEU 8 HN LEU 8 4.112 6.064 6.064 64 HA LEU 8 HA LEU 8 1.504 5.899 5.899 65 1HB LEU 8 HB2 LEU 8 4.368 5.746 5.746 66 2HB LEU 8 HB1 LEU 8 3.012 5.699 5.699 67 HG LEU 8 HG LEU 8 2.131 3.714 3.714 68 1HD1 LEU 8 HD11 LEU 8 4.130 4.222 4.222 69 2HD1 LEU 8 HD13 LEU 8 3.144 2.765 2.765 70 3HD1 LEU 8 HD12 LEU 8 2.376 4.333 4.333 71 1HD2 LEU 8 HD22 LEU 8 4.302 3.524 3.524 72 2HD2 LEU 8 HD21 LEU 8 3.886 2.142 2.142 73 3HD2 LEU 8 HD23 LEU 8 5.121 3.284 3.284 74 H MET 9 HN MET 9 3.506 8.446 8.446 75 HA MET 9 HA MET 9 2.701 10.124 10.124 76 1HB MET 9 HB2 MET 9 4.520 10.403 10.403 77 2HB MET 9 HB1 MET 9 3.644 11.880 11.880 78 1HG MET 9 HG2 MET 9 5.302 12.180 12.180 79 2HG MET 9 HG1 MET 9 4.396 11.003 11.003 80 1HE MET 9 HE2 MET 9 6.331 10.988 10.988 81 2HE MET 9 HE1 MET 9 6.800 9.290 9.290 82 3HE MET 9 HE3 MET 9 7.952 10.516 10.516 83 H TYR 10 HN TYR 10 1.526 9.159 9.159 84 HA TYR 10 HA TYR 10 -0.291 11.413 11.413 85 1HB TYR 10 HB2 TYR 10 -0.653 10.430 10.430 86 2HB TYR 10 HB1 TYR 10 0.825 9.569 9.569 87 HD1 TYR 10 HD2 TYR 10 -0.387 7.621 7.621 88 HD2 TYR 10 HD1 TYR 10 -1.693 8.835 8.835 89 HE1 TYR 10 HE2 TYR 10 -1.628 5.502 5.502 90 HE2 TYR 10 HE1 TYR 10 -2.933 6.711 6.711 91 HH TYR 10 HH TYR 10 -3.274 4.674 4.674 92 H ALA 11 HN ALA 11 -0.191 8.800 8.800 93 HA ALA 11 HA ALA 11 -2.910 9.081 9.081 94 1HB ALA 11 HB3 ALA 11 -2.965 7.790 7.790 95 2HB ALA 11 HB2 ALA 11 -2.344 6.450 6.450 96 3HB ALA 11 HB1 ALA 11 -3.905 7.169 7.169 97 H VAL 12 HN VAL 12 -0.086 7.086 7.086 98 HA VAL 12 HA VAL 12 1.257 6.028 6.028 99 HB VAL 12 HB VAL 12 0.165 7.876 7.876 100 1HG1 VAL 12 HG12 VAL 12 -1.634 5.863 5.863 101 2HG1 VAL 12 HG11 VAL 12 -0.455 5.508 5.508 102 3HG1 VAL 12 HG13 VAL 12 -1.243 7.086 7.086 103 1HG2 VAL 12 HG23 VAL 12 2.199 5.850 5.850 104 2HG2 VAL 12 HG22 VAL 12 2.175 7.450 7.450 105 3HG2 VAL 12 HG21 VAL 12 1.472 6.074 6.074 106 H ARG 13 HN ARG 13 -1.042 4.878 4.878 107 HA ARG 13 HA ARG 13 -2.522 2.980 2.980 108 1HB ARG 13 HB2 ARG 13 -1.569 3.309 3.309 109 2HB ARG 13 HB1 ARG 13 -1.611 1.606 1.606 110 1HG ARG 13 HG2 ARG 13 -3.865 1.568 1.568 111 2HG ARG 13 HG1 ARG 13 -3.973 3.009 3.009 112 1HD ARG 13 HD2 ARG 13 -4.360 4.342 4.342 113 2HD ARG 13 HD1 ARG 13 -3.030 3.628 3.628 114 HE ARG 13 HE ARG 13 -5.276 1.822 1.822 115 1HH1 ARG 13 HH11 ARG 13 -5.345 5.002 5.002 116 2HH1 ARG 13 HH12 ARG 13 -5.691 4.690 4.690 117 1HH2 ARG 13 HH21 ARG 13 -5.170 1.269 1.269 118 2HH2 ARG 13 HH22 ARG 13 -5.593 2.573 2.573 119 H GLU 14 HN GLU 14 -1.482 2.028 2.028 120 HA GLU 14 HA GLU 14 -0.100 -0.361 -0.361 121 1HB GLU 14 HB2 GLU 14 1.609 1.864 1.864 122 2HB GLU 14 HB1 GLU 14 2.216 1.083 1.083 123 1HG GLU 14 HG2 GLU 14 1.573 -1.091 -1.091 124 2HG GLU 14 HG1 GLU 14 2.080 0.058 0.058 125 H GLU 15 HN GLU 15 0.368 2.719 2.719 126 HA GLU 15 HA GLU 15 -0.444 1.356 1.356 127 1HB GLU 15 HB2 GLU 15 2.213 2.396 2.396 128 2HB GLU 15 HB1 GLU 15 1.526 3.170 3.170 129 1HG GLU 15 HG2 GLU 15 1.242 1.092 1.092 130 2HG GLU 15 HG1 GLU 15 1.496 0.171 0.171 131 H VAL 16 HN VAL 16 -0.103 3.588 3.588 132 HA VAL 16 HA VAL 16 -2.131 5.419 5.419 133 HB VAL 16 HB VAL 16 -1.825 6.264 6.264 134 1HG1 VAL 16 HG11 VAL 16 -3.765 5.022 5.022 135 2HG1 VAL 16 HG13 VAL 16 -3.695 4.053 4.053 136 3HG1 VAL 16 HG12 VAL 16 -4.022 5.783 5.783 137 1HG2 VAL 16 HG21 VAL 16 -1.396 3.260 3.260 138 2HG2 VAL 16 HG23 VAL 16 -0.284 4.461 4.461 139 3HG2 VAL 16 HG22 VAL 16 -1.833 4.166 4.166 140 H GLU 17 HN GLU 17 -1.300 7.206 7.206 141 HA GLU 17 HA GLU 17 1.370 8.062 8.062 142 1HB GLU 17 HB2 GLU 17 -0.668 8.824 8.824 143 2HB GLU 17 HB1 GLU 17 -0.794 10.111 10.111 144 1HG GLU 17 HG2 GLU 17 1.970 9.735 9.735 145 2HG GLU 17 HG1 GLU 17 0.995 9.980 9.980 146 H ILE 18 HN ILE 18 -1.319 8.790 8.790 147 HA ILE 18 HA ILE 18 -0.045 10.956 10.956 148 HB ILE 18 HB ILE 18 -2.181 8.999 8.999 149 1HG1 ILE 18 HG12 ILE 18 -2.770 10.409 10.409 150 2HG1 ILE 18 HG11 ILE 18 -3.719 10.836 10.836 151 1HG2 ILE 18 HG22 ILE 18 -0.824 11.288 11.288 152 2HG2 ILE 18 HG21 ILE 18 -2.579 11.226 11.226 153 3HG2 ILE 18 HG23 ILE 18 -1.596 9.871 9.871 154 1HD1 ILE 18 HD11 ILE 18 -1.328 12.369 12.369 155 2HD1 ILE 18 HD13 ILE 18 -1.965 12.509 12.509 156 3HD1 ILE 18 HD12 ILE 18 -2.973 12.951 12.951 157 H LEU 19 HN LEU 19 -0.342 7.470 7.470 158 HA LEU 19 HA LEU 19 1.410 7.722 7.722 159 1HB LEU 19 HB2 LEU 19 -0.282 5.718 5.718 160 2HB LEU 19 HB1 LEU 19 1.339 5.027 5.027 161 HG LEU 19 HG LEU 19 0.719 6.596 6.596 162 1HD1 LEU 19 HD11 LEU 19 -1.150 4.356 4.356 163 2HD1 LEU 19 HD13 LEU 19 -0.917 4.835 4.835 164 3HD1 LEU 19 HD12 LEU 19 -1.572 5.988 5.988 165 1HD2 LEU 19 HD23 LEU 19 1.576 3.775 3.775 166 2HD2 LEU 19 HD22 LEU 19 2.528 5.068 5.068 167 3HD2 LEU 19 HD21 LEU 19 1.257 4.277 4.277 168 H LYS 20 HN LYS 20 1.962 7.536 7.536 169 HA LYS 20 HA LYS 20 4.577 6.240 6.240 170 1HB LYS 20 HB2 LYS 20 2.849 7.310 7.310 171 2HB LYS 20 HB1 LYS 20 4.567 7.618 7.618 172 1HG LYS 20 HG2 LYS 20 4.361 4.955 4.955 173 2HG LYS 20 HG1 LYS 20 3.123 5.146 5.146 174 1HD LYS 20 HD2 LYS 20 4.797 4.796 4.796 175 2HD LYS 20 HD1 LYS 20 5.294 6.447 6.447 176 1HE LYS 20 HE2 LYS 20 6.804 5.647 5.647 177 2HE LYS 20 HE1 LYS 20 6.240 3.992 3.992 178 1HZ LYS 20 HZ2 LYS 20 7.041 5.078 5.078 179 2HZ LYS 20 HZ1 LYS 20 8.294 5.281 5.281 180 3HZ LYS 20 HZ3 LYS 20 7.670 3.734 3.734 181 H GLU 21 HN GLU 21 3.341 9.542 9.542 182 HA GLU 21 HA GLU 21 5.997 10.722 10.722 183 1HB GLU 21 HB2 GLU 21 4.724 12.879 12.879 184 2HB GLU 21 HB1 GLU 21 4.282 11.915 11.915 185 1HG GLU 21 HG2 GLU 21 2.146 11.796 11.796 186 2HG GLU 21 HG1 GLU 21 2.658 11.143 11.143 187 H GLN 22 HN GLN 22 3.620 9.532 9.532 188 HA GLN 22 HA GLN 22 4.354 11.217 11.217 189 1HB GLN 22 HB2 GLN 22 2.143 9.849 9.849 190 2HB GLN 22 HB1 GLN 22 3.071 8.509 8.509 191 1HG GLN 22 HG2 GLN 22 2.097 9.446 9.446 192 2HG GLN 22 HG1 GLN 22 3.685 10.215 10.215 193 1HE2 GLN 22 HE22 GLN 22 0.397 12.512 12.512 194 2HE2 GLN 22 HE21 GLN 22 0.329 10.860 10.860 195 H ILE 23 HN ILE 23 5.092 7.901 7.901 196 HA ILE 23 HA ILE 23 6.930 7.424 7.424 197 HB ILE 23 HB ILE 23 7.585 5.410 5.410 198 1HG1 ILE 23 HG12 ILE 23 5.565 5.840 5.840 199 2HG1 ILE 23 HG11 ILE 23 6.964 6.909 6.909 200 1HG2 ILE 23 HG22 ILE 23 5.258 5.811 5.811 201 2HG2 ILE 23 HG21 ILE 23 4.625 5.500 5.500 202 3HG2 ILE 23 HG23 ILE 23 5.627 4.291 4.291 203 1HD1 ILE 23 HD12 ILE 23 8.408 4.822 4.822 204 2HD1 ILE 23 HD11 ILE 23 6.939 3.887 3.887 205 3HD1 ILE 23 HD13 ILE 23 7.554 4.955 4.955 206 H ARG 24 HN ARG 24 7.094 8.789 8.789 207 HA ARG 24 HA ARG 24 10.000 8.727 8.727 208 1HB ARG 24 HB2 ARG 24 8.100 9.102 9.102 209 2HB ARG 24 HB1 ARG 24 8.386 10.794 10.794 210 1HG ARG 24 HG2 ARG 24 10.836 9.185 9.185 211 2HG ARG 24 HG1 ARG 24 9.863 9.392 9.392 212 1HD ARG 24 HD2 ARG 24 10.055 11.881 11.881 213 2HD ARG 24 HD1 ARG 24 11.655 11.256 11.256 214 HE ARG 24 HE ARG 24 9.599 11.462 11.462 215 1HH1 ARG 24 HH11 ARG 24 12.158 10.745 10.745 216 2HH1 ARG 24 HH12 ARG 24 12.949 12.251 12.251 217 1HH2 ARG 24 HH21 ARG 24 10.804 14.111 14.111 218 2HH2 ARG 24 HH22 ARG 24 12.183 14.158 14.158 219 H GLU 25 HN GLU 25 7.537 10.915 10.915 220 HA GLU 25 HA GLU 25 9.432 13.073 13.073 221 1HB GLU 25 HB2 GLU 25 6.515 12.622 12.622 222 2HB GLU 25 HB1 GLU 25 7.420 14.031 14.031 223 1HG GLU 25 HG2 GLU 25 7.856 13.612 13.612 224 2HG GLU 25 HG1 GLU 25 6.129 13.720 13.720 225 H LEU 26 HN LEU 26 8.246 10.219 10.219 226 HA LEU 26 HA LEU 26 8.950 11.055 11.055 227 1HB LEU 26 HB2 LEU 26 7.574 8.836 8.836 228 2HB LEU 26 HB1 LEU 26 8.837 8.227 8.227 229 HG LEU 26 HG LEU 26 7.000 10.426 10.426 230 1HD1 LEU 26 HD11 LEU 26 6.456 7.451 7.451 231 2HD1 LEU 26 HD13 LEU 26 5.656 8.519 8.519 232 3HD1 LEU 26 HD12 LEU 26 5.427 8.762 8.762 233 1HD2 LEU 26 HD21 LEU 26 9.088 8.714 8.714 234 2HD2 LEU 26 HD23 LEU 26 8.372 10.176 10.176 235 3HD2 LEU 26 HD22 LEU 26 7.600 8.613 8.613 236 H VAL 27 HN VAL 27 10.367 9.350 9.350 237 HA VAL 27 HA VAL 27 12.734 8.513 8.513 238 HB VAL 27 HB VAL 27 11.521 7.810 7.810 239 1HG1 VAL 27 HG11 VAL 27 14.353 8.845 8.845 240 2HG1 VAL 27 HG13 VAL 27 13.512 7.829 7.829 241 3HG1 VAL 27 HG12 VAL 27 12.912 9.450 9.450 242 1HG2 VAL 27 HG21 VAL 27 13.266 6.754 6.754 243 2HG2 VAL 27 HG23 VAL 27 12.453 5.879 5.879 244 3HG2 VAL 27 HG22 VAL 27 14.071 6.534 6.534 245 H GLU 28 HN GLU 28 11.691 11.162 11.162 246 HA GLU 28 HA GLU 28 14.355 12.305 12.305 247 1HB GLU 28 HB2 GLU 28 12.513 12.776 12.776 248 2HB GLU 28 HB1 GLU 28 11.625 13.598 13.598 249 1HG GLU 28 HG2 GLU 28 12.966 15.444 15.444 250 2HG GLU 28 HG1 GLU 28 14.421 14.499 14.499 251 H LYS 29 HN LYS 29 11.633 12.674 12.674 252 HA LYS 29 HA LYS 29 12.900 14.893 14.893 253 1HB LYS 29 HB2 LYS 29 10.299 14.074 14.074 254 2HB LYS 29 HB1 LYS 29 10.735 13.392 13.392 255 1HG LYS 29 HG2 LYS 29 11.850 15.882 15.882 256 2HG LYS 29 HG1 LYS 29 10.429 16.218 16.218 257 1HD LYS 29 HD2 LYS 29 10.177 14.525 14.525 258 2HD LYS 29 HD1 LYS 29 10.192 16.285 16.285 259 1HE LYS 29 HE2 LYS 29 8.219 16.521 16.521 260 2HE LYS 29 HE1 LYS 29 8.380 14.925 14.925 261 1HZ LYS 29 HZ1 LYS 29 7.956 15.305 15.305 262 2HZ LYS 29 HZ3 LYS 29 6.668 15.155 15.155 263 3HZ LYS 29 HZ2 LYS 29 7.778 13.881 13.881 264 H ASN 30 HN ASN 30 12.783 11.419 11.419 265 HA ASN 30 HA ASN 30 13.814 11.233 11.233 266 1HB ASN 30 HB2 ASN 30 12.567 9.338 9.338 267 2HB ASN 30 HB1 ASN 30 13.602 9.227 9.227 268 1HD2 ASN 30 HD22 ASN 30 14.728 7.405 7.405 269 2HD2 ASN 30 HD21 ASN 30 13.222 8.173 8.173 270 H SER 31 HN SER 31 15.093 11.323 11.323 271 HA SER 31 HA SER 31 17.839 10.750 10.750 272 1HB SER 31 HB2 SER 31 16.642 10.504 10.504 273 2HB SER 31 HB1 SER 31 17.188 12.167 12.167 274 HG SER 31 HG SER 31 18.976 11.186 11.186 275 H GLN 32 HN GLN 32 15.845 13.595 13.595 276 HA GLN 32 HA GLN 32 18.049 15.478 15.478 277 1HB GLN 32 HB2 GLN 32 15.638 15.773 15.773 278 2HB GLN 32 HB1 GLN 32 15.207 16.244 16.244 279 1HG GLN 32 HG2 GLN 32 16.983 17.948 17.948 280 2HG GLN 32 HG1 GLN 32 17.442 17.472 17.472 281 1HE2 GLN 32 HE22 GLN 32 13.669 19.083 19.083 282 2HE2 GLN 32 HE21 GLN 32 14.154 17.899 17.899 283 H LEU 33 HN LEU 33 15.770 13.948 13.948 284 HA LEU 33 HA LEU 33 16.511 15.660 15.660 285 1HB LEU 33 HB2 LEU 33 14.602 13.463 13.463 286 2HB LEU 33 HB1 LEU 33 15.331 13.451 13.451 287 HG LEU 33 HG LEU 33 14.373 16.074 16.074 288 1HD1 LEU 33 HD12 LEU 33 12.663 13.710 13.710 289 2HD1 LEU 33 HD11 LEU 33 12.137 15.231 15.231 290 3HD1 LEU 33 HD13 LEU 33 12.353 15.109 15.109 291 1HD2 LEU 33 HD21 LEU 33 14.634 14.664 14.664 292 2HD2 LEU 33 HD23 LEU 33 15.345 16.196 16.196 293 3HD2 LEU 33 HD22 LEU 33 13.621 16.100 16.100 294 H GLU 34 HN GLU 34 17.512 12.629 12.629 295 HA GLU 34 HA GLU 34 19.066 11.772 11.772 296 1HB GLU 34 HB2 GLU 34 18.215 10.464 10.464 297 2HB GLU 34 HB1 GLU 34 19.857 10.864 10.864 298 1HG GLU 34 HG2 GLU 34 19.130 9.473 9.473 299 2HG GLU 34 HG1 GLU 34 19.758 8.668 8.668 300 H ARG 35 HN ARG 35 19.586 13.708 13.708 301 HA ARG 35 HA ARG 35 22.468 13.935 13.935 302 1HB ARG 35 HB2 ARG 35 20.538 14.720 14.720 303 2HB ARG 35 HB1 ARG 35 21.466 16.142 16.142 304 1HG ARG 35 HG2 ARG 35 22.639 15.052 15.052 305 2HG ARG 35 HG1 ARG 35 23.566 14.808 14.808 306 1HD ARG 35 HD2 ARG 35 23.034 12.557 12.557 307 2HD ARG 35 HD1 ARG 35 21.510 12.762 12.762 308 HE ARG 35 HE ARG 35 22.736 12.734 12.734 309 1HH1 ARG 35 HH21 ARG 35 25.266 14.044 14.044 310 2HH1 ARG 35 HH22 ARG 35 26.384 12.722 12.722 311 1HH2 ARG 35 HH11 ARG 35 23.914 10.294 10.294 312 2HH2 ARG 35 HH12 ARG 35 25.619 10.600 10.600 313 H GLU 36 HN GLU 36 19.591 15.806 15.806 314 HA GLU 36 HA GLU 36 21.081 18.041 18.041 315 1HB GLU 36 HB2 GLU 36 18.340 17.393 17.393 316 2HB GLU 36 HB1 GLU 36 18.499 17.803 17.803 317 1HG GLU 36 HG2 GLU 36 18.430 19.964 19.964 318 2HG GLU 36 HG1 GLU 36 20.071 19.713 19.713 319 H ASN 37 HN ASN 37 19.926 14.957 14.957 320 HA ASN 37 HA ASN 37 20.377 15.576 15.576 321 1HB ASN 37 HB2 ASN 37 19.930 12.926 12.926 322 2HB ASN 37 HB1 ASN 37 19.966 13.148 13.148 323 1HD2 ASN 37 HD22 ASN 37 16.397 13.327 13.327 324 2HD2 ASN 37 HD21 ASN 37 17.608 12.142 12.142 325 H THR 38 HN THR 38 22.130 14.196 14.196 326 HA THR 38 HA THR 38 24.297 13.156 13.156 327 HB THR 38 HB THR 38 25.486 12.967 12.967 328 HG1 THR 38 HG1 THR 38 24.564 14.542 14.542 329 1HG2 THR 38 HG23 THR 38 22.827 11.735 11.735 330 2HG2 THR 38 HG22 THR 38 23.586 11.381 11.381 331 3HG2 THR 38 HG21 THR 38 24.422 10.985 10.985 332 H LEU 39 HN LEU 39 23.468 16.116 16.116 333 HA LEU 39 HA LEU 39 26.120 17.308 17.308 334 1HB LEU 39 HB2 LEU 39 23.911 17.865 17.865 335 2HB LEU 39 HB1 LEU 39 23.864 19.151 19.151 336 HG LEU 39 HG LEU 39 25.228 19.900 19.900 337 1HD1 LEU 39 HD11 LEU 39 26.820 19.081 19.081 338 2HD1 LEU 39 HD13 LEU 39 27.447 20.160 20.160 339 3HD1 LEU 39 HD12 LEU 39 26.038 20.633 20.633 340 1HD2 LEU 39 HD22 LEU 39 25.771 17.579 17.579 341 2HD2 LEU 39 HD21 LEU 39 27.166 18.656 18.656 342 3HD2 LEU 39 HD23 LEU 39 26.948 17.449 17.449 343 H LEU 40 HN LEU 40 23.060 17.264 17.264 344 HA LEU 40 HA LEU 40 23.859 19.350 19.350 345 1HB LEU 40 HB2 LEU 40 21.588 17.346 17.346 346 2HB LEU 40 HB1 LEU 40 21.834 18.473 18.473 347 HG LEU 40 HG LEU 40 21.523 19.297 19.297 348 1HD1 LEU 40 HD13 LEU 40 19.481 18.271 18.271 349 2HD1 LEU 40 HD12 LEU 40 19.515 19.740 19.740 350 3HD1 LEU 40 HD11 LEU 40 19.274 19.845 19.845 351 1HD2 LEU 40 HD23 LEU 40 22.467 20.640 20.640 352 2HD2 LEU 40 HD22 LEU 40 22.284 21.288 21.288 353 3HD2 LEU 40 HD21 LEU 40 20.937 21.364 21.364 354 H LYS 41 HN LYS 41 23.945 15.845 15.845 355 HA LYS 41 HA LYS 41 24.757 15.488 15.488 356 1HB LYS 41 HB2 LYS 41 23.622 13.688 13.688 357 2HB LYS 41 HB1 LYS 41 25.027 13.595 13.595 358 1HG LYS 41 HG2 LYS 41 26.330 13.316 13.316 359 2HG LYS 41 HG1 LYS 41 24.756 12.758 12.758 360 1HD LYS 41 HD2 LYS 41 24.673 11.057 11.057 361 2HD LYS 41 HD1 LYS 41 26.167 11.665 11.665 362 1HE LYS 41 HE2 LYS 41 27.470 10.970 10.970 363 2HE LYS 41 HE1 LYS 41 26.040 10.720 10.720 364 1HZ LYS 41 HZ1 LYS 41 26.633 9.174 9.174 365 2HZ LYS 41 HZ3 LYS 41 27.017 8.646 8.646 366 3HZ LYS 41 HZ2 LYS 41 25.393 8.878 8.878 367 H THR 42 HN THR 42 26.344 15.820 15.820 368 HA THR 42 HA THR 42 29.007 15.232 15.232 369 HB THR 42 HB THR 42 28.086 16.735 16.735 370 HG1 THR 42 HG1 THR 42 29.222 14.208 14.208 371 1HG2 THR 42 HG23 THR 42 30.793 15.810 15.810 372 2HG2 THR 42 HG22 THR 42 30.448 16.006 16.006 373 3HG2 THR 42 HG21 THR 42 30.329 17.390 17.390 374 H LEU 43 HN LEU 43 27.095 18.176 18.176 375 HA LEU 43 HA LEU 43 29.226 19.989 19.989 376 1HB LEU 43 HB2 LEU 43 26.716 20.300 20.300 377 2HB LEU 43 HB1 LEU 43 26.476 20.892 20.892 378 HG LEU 43 HG LEU 43 28.445 22.374 22.374 379 1HD1 LEU 43 HD11 LEU 43 29.160 20.681 20.681 380 2HD1 LEU 43 HD13 LEU 43 28.498 22.040 22.040 381 3HD1 LEU 43 HD12 LEU 43 29.829 22.298 22.298 382 1HD2 LEU 43 HD22 LEU 43 25.911 22.581 22.581 383 2HD2 LEU 43 HD21 LEU 43 26.900 23.874 23.874 384 3HD2 LEU 43 HD23 LEU 43 27.145 23.365 23.365 385 H ALA 44 HN ALA 44 26.745 18.204 18.204 386 HA ALA 44 HA ALA 44 27.426 19.522 19.522 387 1HB ALA 44 HB3 ALA 44 25.055 18.886 18.886 388 2HB ALA 44 HB2 ALA 44 25.551 17.194 17.194 389 3HB ALA 44 HB1 ALA 44 25.641 18.160 18.160 390 H SER 45 HN SER 45 28.739 17.151 17.151 391 HA SER 45 HA SER 45 29.313 15.032 15.032 392 1HB SER 45 HB2 SER 45 30.007 15.738 15.738 393 2HB SER 45 HB1 SER 45 31.510 15.422 15.422 394 HG SER 45 HG SER 45 30.483 13.536 13.536 395 HA PRO 46 HA PRO 46 33.322 17.432 17.432 396 1HB PRO 46 HB2 PRO 46 33.337 20.130 20.130 397 2HB PRO 46 HB1 PRO 46 33.966 18.893 18.893 398 1HG PRO 46 HG2 PRO 46 31.429 20.447 20.447 399 2HG PRO 46 HG1 PRO 46 32.391 19.718 19.718 400 1HD PRO 46 HD2 PRO 46 30.013 18.663 18.663 401 2HD PRO 46 HD1 PRO 46 31.159 17.782 17.782 402 H GLU 47 HN GLU 47 30.235 17.856 17.856 403 HA GLU 47 HA GLU 47 30.946 19.096 19.096 404 1HB GLU 47 HB2 GLU 47 29.270 20.348 20.348 405 2HB GLU 47 HB1 GLU 47 28.454 20.198 20.198 406 1HG GLU 47 HG2 GLU 47 29.606 21.995 21.995 407 2HG GLU 47 HG1 GLU 47 31.085 21.043 21.043 408 H GLN 48 HN GLN 48 30.575 16.446 16.446 409 HA GLN 48 HA GLN 48 27.706 15.915 15.915 410 1HB GLN 48 HB2 GLN 48 29.882 14.369 14.369 411 2HB GLN 48 HB1 GLN 48 28.820 13.448 13.448 412 1HG GLN 48 HG2 GLN 48 26.943 14.833 14.833 413 2HG GLN 48 HG1 GLN 48 28.191 14.839 14.839 414 1HE2 GLN 48 HE22 GLN 48 28.211 11.150 11.150 415 2HE2 GLN 48 HE21 GLN 48 29.346 12.401 12.401 416 H LEU 49 HN LEU 49 28.418 16.987 16.987 417 HA LEU 49 HA LEU 49 28.839 14.789 14.789 418 1HB LEU 49 HB2 LEU 49 30.275 16.762 16.762 419 2HB LEU 49 HB1 LEU 49 30.966 15.335 15.335 420 HG LEU 49 HG LEU 49 31.894 17.618 17.618 421 1HD1 LEU 49 HD11 LEU 49 31.214 15.318 15.318 422 2HD1 LEU 49 HD13 LEU 49 31.661 16.771 16.771 423 3HD1 LEU 49 HD12 LEU 49 32.770 16.083 16.083 424 1HD2 LEU 49 HD21 LEU 49 29.254 18.124 18.124 425 2HD2 LEU 49 HD23 LEU 49 30.628 19.129 19.129 426 3HD2 LEU 49 HD22 LEU 49 30.066 17.949 17.949 427 H GLU 50 HN GLU 50 26.849 16.889 16.889 428 HA GLU 50 HA GLU 50 25.427 18.572 18.572 429 1HB GLU 50 HB2 GLU 50 24.522 17.867 17.867 430 2HB GLU 50 HB1 GLU 50 24.280 16.738 16.738 431 1HG GLU 50 HG2 GLU 50 26.304 15.491 15.491 432 2HG GLU 50 HG1 GLU 50 26.518 16.609 16.609 433 H LYS 51 HN LYS 51 28.259 19.140 19.140 434 HA LYS 51 HA LYS 51 28.059 21.090 21.090 435 1HB LYS 51 HB2 LYS 51 28.376 19.184 19.184 436 2HB LYS 51 HB1 LYS 51 29.768 18.668 18.668 437 1HG LYS 51 HG2 LYS 51 31.062 20.567 20.567 438 2HG LYS 51 HG1 LYS 51 29.648 21.322 21.322 439 1HD LYS 51 HD2 LYS 51 31.196 20.170 20.170 440 2HD LYS 51 HD1 LYS 51 29.520 19.629 19.629 441 1HE LYS 51 HE2 LYS 51 30.967 18.054 18.054 442 2HE LYS 51 HE1 LYS 51 31.828 18.031 18.031 443 1HZ LYS 51 HZ2 LYS 51 28.907 17.577 17.577 444 2HZ LYS 51 HZ1 LYS 51 30.030 16.309 16.309 445 3HZ LYS 51 HZ3 LYS 51 29.942 17.222 17.222 446 H PHE 52 HN PHE 52 30.784 19.271 19.271 447 HA PHE 52 HA PHE 52 31.987 21.957 21.957 448 1HB PHE 52 HB2 PHE 52 34.197 20.797 20.797 449 2HB PHE 52 HB1 PHE 52 33.142 20.940 20.940 450 HD1 PHE 52 HD2 PHE 52 31.770 19.041 19.041 451 HD2 PHE 52 HD1 PHE 52 34.683 18.567 18.567 452 HE1 PHE 52 HE2 PHE 52 31.640 16.584 16.584 453 HE2 PHE 52 HE1 PHE 52 34.540 16.133 16.133 454 HZ PHE 52 HZ PHE 52 33.020 15.146 15.146 455 H GLN 53 HN GLN 53 34.289 20.036 20.036 456 HA GLN 53 HA GLN 53 33.420 20.315 20.315 457 1HB GLN 53 HB2 GLN 53 35.547 21.011 21.011 458 2HB GLN 53 HB1 GLN 53 35.924 20.307 20.307 459 1HG GLN 53 HG2 GLN 53 35.694 18.361 18.361 460 2HG GLN 53 HG1 GLN 53 37.012 19.504 19.504 461 1HE2 GLN 53 HE22 GLN 53 37.479 17.716 17.716 462 2HE2 GLN 53 HE21 GLN 53 36.288 18.886 18.886 463 H SER 54 HN SER 54 35.120 17.532 17.532 464 HA SER 54 HA SER 54 33.235 15.656 15.656 465 1HB SER 54 HB2 SER 54 34.359 15.791 15.791 466 2HB SER 54 HB1 SER 54 35.875 16.265 16.265 467 HG SER 54 HG SER 54 34.989 13.813 13.813 468 H ARG 55 HN ARG 55 36.677 15.655 15.655 469 HA ARG 55 HA ARG 55 36.249 13.084 13.084 470 1HB ARG 55 HB2 ARG 55 38.675 13.523 13.523 471 2HB ARG 55 HB1 ARG 55 38.387 13.279 13.279 472 1HG ARG 55 HG2 ARG 55 38.779 15.494 15.494 473 2HG ARG 55 HG1 ARG 55 38.230 16.067 16.067 474 1HD ARG 55 HD2 ARG 55 40.699 16.299 16.299 475 2HD ARG 55 HD1 ARG 55 40.268 15.229 15.229 476 HE ARG 55 HE ARG 55 40.631 13.348 13.348 477 1HH1 ARG 55 HH21 ARG 55 42.793 15.613 15.613 478 2HH1 ARG 55 HH22 ARG 55 43.978 15.375 15.375 479 1HH2 ARG 55 HH11 ARG 55 41.930 13.366 13.366 480 2HH2 ARG 55 HH12 ARG 55 43.490 14.106 14.106 481 H LEU 56 HN LEU 56 38.306 15.101 15.101 482 HA LEU 56 HA LEU 56 38.130 15.972 15.972 483 1HB LEU 56 HB2 LEU 56 35.257 16.105 16.105 484 2HB LEU 56 HB1 LEU 56 35.696 16.421 16.421 485 HG LEU 56 HG LEU 56 37.363 18.113 18.113 486 1HD1 LEU 56 HD11 LEU 56 36.198 17.045 17.045 487 2HD1 LEU 56 HD13 LEU 56 36.209 18.806 18.806 488 3HD1 LEU 56 HD12 LEU 56 37.713 17.904 17.904 489 1HD2 LEU 56 HD21 LEU 56 34.412 18.208 18.208 490 2HD2 LEU 56 HD23 LEU 56 35.551 19.241 19.241 491 3HD2 LEU 56 HD22 LEU 56 35.202 19.537 19.537 492 H SER 57 HN SER 57 35.015 14.422 14.422 493 HA SER 57 HA SER 57 36.107 12.430 12.430 494 1HB SER 57 HB2 SER 57 34.570 13.569 13.569 495 2HB SER 57 HB1 SER 57 33.629 14.075 14.075 496 HG SER 57 HG SER 57 33.100 12.110 12.110 497 HA PRO 58 HA PRO 58 34.803 9.687 9.687 498 1HB PRO 58 HB2 PRO 58 36.023 7.464 7.464 499 2HB PRO 58 HB1 PRO 58 36.843 8.690 8.690 500 1HG PRO 58 HG2 PRO 58 36.983 8.236 8.236 501 2HG PRO 58 HG1 PRO 58 38.196 8.945 8.945 502 1HD PRO 58 HD2 PRO 58 36.478 10.390 10.390 503 2HD PRO 58 HD1 PRO 58 37.426 11.075 11.075 504 H GLU 59 HN GLU 59 32.680 9.510 9.510 505 HA GLU 59 HA GLU 59 31.142 7.492 7.492 506 1HB GLU 59 HB2 GLU 59 32.310 6.859 6.859 507 2HB GLU 59 HB1 GLU 59 32.056 8.461 8.461 508 1HG GLU 59 HG2 GLU 59 29.494 7.821 7.821 509 2HG GLU 59 HG1 GLU 59 30.144 6.199 6.199 510 H GLU 60 HN GLU 60 29.846 9.043 9.043 511 HA GLU 60 HA GLU 60 28.500 11.012 11.012 512 1HB GLU 60 HB2 GLU 60 29.811 11.396 11.396 513 2HB GLU 60 HB1 GLU 60 28.154 11.999 11.999 514 1HG GLU 60 HG2 GLU 60 30.345 12.710 12.710 515 2HG GLU 60 HG1 GLU 60 29.662 13.771 13.771 516 HA PRO 61 HA PRO 61 25.454 8.199 8.199 517 1HB PRO 61 HB2 PRO 61 24.872 6.429 6.429 518 2HB PRO 61 HB1 PRO 61 26.125 6.136 6.136 519 1HG PRO 61 HG2 PRO 61 26.436 6.941 6.941 520 2HG PRO 61 HG1 PRO 61 27.530 5.998 5.998 521 1HD PRO 61 HD2 PRO 61 27.860 8.714 8.714 522 2HD PRO 61 HD1 PRO 61 28.661 7.854 7.854 523 H ALA 62 HN ALA 62 23.234 7.405 7.405 524 HA ALA 62 HA ALA 62 21.329 8.191 8.191 525 1HB ALA 62 HB1 ALA 62 22.990 8.299 8.299 526 2HB ALA 62 HB3 ALA 62 23.220 10.002 10.002 527 3HB ALA 62 HB2 ALA 62 21.637 9.424 9.424 528 HA PRO 63 HA PRO 63 20.592 11.835 11.835 529 1HB PRO 63 HB2 PRO 63 17.874 11.864 11.864 530 2HB PRO 63 HB1 PRO 63 18.689 10.772 10.772 531 1HG PRO 63 HG2 PRO 63 17.487 10.158 10.158 532 2HG PRO 63 HG1 PRO 63 17.738 9.091 9.091 533 1HD PRO 63 HD2 PRO 63 19.343 9.187 9.187 534 2HD PRO 63 HD1 PRO 63 19.751 8.361 8.361 535 H GLU 64 HN GLU 64 18.643 13.690 13.690 536 HA GLU 64 HA GLU 64 19.731 14.989 14.989 537 1HB GLU 64 HB2 GLU 64 18.298 16.903 16.903 538 2HB GLU 64 HB1 GLU 64 19.390 16.349 16.349 539 1HG GLU 64 HG2 GLU 64 17.675 15.319 15.319 540 2HG GLU 64 HG1 GLU 64 16.623 15.195 15.195 541 H THR 65 HN THR 65 18.555 12.915 12.915 542 HA THR 65 HA THR 65 15.707 13.108 13.108 543 HB THR 65 HB THR 65 15.975 11.373 11.373 544 HG1 THR 65 HG1 THR 65 18.724 12.011 12.011 545 1HG2 THR 65 HG21 THR 65 16.911 11.019 11.019 546 2HG2 THR 65 HG23 THR 65 18.461 10.894 10.894 547 3HG2 THR 65 HG22 THR 65 17.156 9.776 9.776 548 HA PRO 66 HA PRO 66 15.617 16.322 16.322 549 1HB PRO 66 HB2 PRO 66 13.158 15.749 15.749 550 2HB PRO 66 HB1 PRO 66 13.374 16.522 16.522 551 1HG PRO 66 HG2 PRO 66 12.572 13.718 13.718 552 2HG PRO 66 HG1 PRO 66 12.213 14.696 14.696 553 1HD PRO 66 HD2 PRO 66 14.183 12.669 12.669 554 2HD PRO 66 HD1 PRO 66 14.030 13.870 13.870 555 H GLU 67 HN GLU 67 15.138 16.565 16.565 556 HA GLU 67 HA GLU 67 16.518 14.356 14.356 557 1HB GLU 67 HB2 GLU 67 15.744 17.174 17.174 558 2HB GLU 67 HB1 GLU 67 16.288 16.025 16.025 559 1HG GLU 67 HG2 GLU 67 18.136 15.743 15.743 560 2HG GLU 67 HG1 GLU 67 17.850 17.481 17.481 561 H ALA 68 HN ALA 68 14.602 12.900 12.900 562 HA ALA 68 HA ALA 68 12.385 13.519 13.519 563 1HB ALA 68 HB2 ALA 68 12.160 12.792 12.792 564 2HB ALA 68 HB1 ALA 68 12.184 11.196 11.196 565 3HB ALA 68 HB3 ALA 68 10.955 12.370 12.370 566 HA PRO 69 HA PRO 69 14.628 10.349 10.349 567 1HB PRO 69 HB2 PRO 69 13.593 11.120 11.120 568 2HB PRO 69 HB1 PRO 69 15.002 11.889 11.889 569 1HG PRO 69 HG2 PRO 69 12.204 12.904 12.904 570 2HG PRO 69 HG1 PRO 69 13.721 13.812 13.812 571 1HD PRO 69 HD2 PRO 69 11.890 13.365 13.365 572 2HD PRO 69 HD1 PRO 69 13.561 13.944 13.944 573 H GLU 70 HN GLU 70 13.548 8.441 8.441 574 HA GLU 70 HA GLU 70 10.803 7.906 7.906 575 1HB GLU 70 HB2 GLU 70 13.239 6.171 6.171 576 2HB GLU 70 HB1 GLU 70 11.637 5.472 5.472 577 1HG GLU 70 HG2 GLU 70 11.497 7.066 7.066 578 2HG GLU 70 HG1 GLU 70 12.962 6.092 6.092 579 H ALA 71 HN ALA 71 9.831 6.227 6.227 580 HA ALA 71 HA ALA 71 9.695 7.532 7.532 581 1HB ALA 71 HB2 ALA 71 8.470 5.216 5.216 582 2HB ALA 71 HB1 ALA 71 8.726 4.969 4.969 583 3HB ALA 71 HB3 ALA 71 7.774 6.343 6.343 584 HA PRO 72 HA PRO 72 12.942 5.568 5.568 585 1HB PRO 72 HB2 PRO 72 11.831 5.449 5.449 586 2HB PRO 72 HB1 PRO 72 12.420 6.950 6.950 587 1HG PRO 72 HG2 PRO 72 9.610 6.029 6.029 588 2HG PRO 72 HG1 PRO 72 10.243 7.680 7.680 589 1HD PRO 72 HD2 PRO 72 8.916 6.269 6.269 590 2HD PRO 72 HD1 PRO 72 9.854 7.766 7.766 591 H GLY 73 HN GLY 73 13.256 3.414 3.414 592 1HA GLY 73 HA2 GLY 73 12.603 1.274 1.274 593 2HA GLY 73 HA1 GLY 73 11.253 1.364 1.364 594 H GLY 74 HN GLY 74 13.067 -0.837 -0.837 595 1HA GLY 74 HA2 GLY 74 13.797 -0.991 -0.991 596 2HA GLY 74 HA1 GLY 74 15.229 -0.791 -0.791 597 H SER 75 HN SER 75 12.200 -2.642 -2.642 598 HA SER 75 HA SER 75 13.533 -5.198 -5.198 599 1HB SER 75 HB2 SER 75 13.207 -3.992 -3.992 600 2HB SER 75 HB1 SER 75 12.932 -5.722 -5.722 601 HG SER 75 HG SER 75 15.058 -5.655 -5.655 602 H ALA 76 HN ALA 76 11.998 -7.004 -7.004 603 HA ALA 76 HA ALA 76 9.210 -6.112 -6.112 604 1HB ALA 76 HB1 ALA 76 10.778 -8.203 -8.203 605 2HB ALA 76 HB3 ALA 76 9.604 -8.989 -8.989 606 3HB ALA 76 HB2 ALA 76 9.052 -7.953 -7.953 607 H VAL 77 HN VAL 77 10.151 -5.684 -5.684 608 HA VAL 77 HA VAL 77 8.386 -7.567 -7.567 609 HB VAL 77 HB VAL 77 11.249 -6.861 -6.861 610 1HG1 VAL 77 HG13 VAL 77 9.072 -8.019 -8.019 611 2HG1 VAL 77 HG12 VAL 77 10.790 -8.069 -8.069 612 3HG1 VAL 77 HG11 VAL 77 9.961 -6.519 -6.519 613 1HG2 VAL 77 HG22 VAL 77 9.717 -9.460 -9.460 614 2HG2 VAL 77 HG21 VAL 77 10.974 -8.840 -8.840 615 3HG2 VAL 77 HG23 VAL 77 11.384 -9.356 -9.356 616 1H ACE 0 HA1 ACE 0 -11.962 -24.265 -24.265 617 2H ACE 0 HA2 ACE 0 -12.926 -24.536 -24.536 618 3H ACE 0 HA3 ACE 0 -11.328 -23.799 -23.799 619 H MET 1 HN MET 1 -12.359 -21.973 -21.973 620 HA MET 1 HA MET 1 -13.145 -19.885 -19.885 621 1HB MET 1 HB2 MET 1 -15.174 -21.397 -21.397 622 2HB MET 1 HB1 MET 1 -15.232 -19.680 -19.680 623 1HG MET 1 HG2 MET 1 -14.857 -20.250 -20.250 624 2HG MET 1 HG1 MET 1 -16.406 -20.781 -20.781 625 1HE MET 1 HE2 MET 1 -18.257 -19.560 -19.560 626 2HE MET 1 HE1 MET 1 -17.935 -19.032 -19.032 627 3HE MET 1 HE3 MET 1 -18.485 -17.867 -17.867 628 H ASP 2 HN ASP 2 -13.634 -17.800 -17.800 629 HA ASP 2 HA ASP 2 -12.970 -16.269 -16.269 630 1HB ASP 2 HB2 ASP 2 -13.465 -18.704 -18.704 631 2HB ASP 2 HB1 ASP 2 -11.968 -18.027 -18.027 632 H LEU 3 HN LEU 3 -11.033 -18.111 -18.111 633 HA LEU 3 HA LEU 3 -8.505 -18.136 -18.136 634 1HB LEU 3 HB2 LEU 3 -7.560 -18.118 -18.118 635 2HB LEU 3 HB1 LEU 3 -8.852 -19.301 -19.301 636 HG LEU 3 HG LEU 3 -9.971 -16.750 -16.750 637 1HD1 LEU 3 HD12 LEU 3 -7.514 -16.769 -16.769 638 2HD1 LEU 3 HD11 LEU 3 -8.240 -17.865 -17.865 639 3HD1 LEU 3 HD13 LEU 3 -8.878 -16.232 -16.232 640 1HD2 LEU 3 HD23 LEU 3 -10.414 -19.477 -19.477 641 2HD2 LEU 3 HD22 LEU 3 -11.348 -18.163 -18.163 642 3HD2 LEU 3 HD21 LEU 3 -10.004 -18.881 -18.881 643 H VAL 4 HN VAL 4 -10.314 -15.510 -15.510 644 HA VAL 4 HA VAL 4 -8.168 -13.652 -13.652 645 HB VAL 4 HB VAL 4 -9.903 -11.915 -11.915 646 1HG1 VAL 4 HG12 VAL 4 -9.723 -13.862 -13.862 647 2HG1 VAL 4 HG11 VAL 4 -11.390 -14.107 -14.107 648 3HG1 VAL 4 HG13 VAL 4 -10.883 -12.537 -12.537 649 1HG2 VAL 4 HG21 VAL 4 -11.510 -14.180 -14.180 650 2HG2 VAL 4 HG23 VAL 4 -11.252 -12.560 -12.560 651 3HG2 VAL 4 HG22 VAL 4 -12.294 -12.793 -12.793 652 H LYS 5 HN LYS 5 -10.280 -14.343 -14.343 653 HA LYS 5 HA LYS 5 -8.542 -12.615 -12.615 654 1HB LYS 5 HB2 LYS 5 -10.966 -12.213 -12.213 655 2HB LYS 5 HB1 LYS 5 -11.230 -13.910 -13.910 656 1HG LYS 5 HG2 LYS 5 -10.282 -13.702 -13.702 657 2HG LYS 5 HG1 LYS 5 -9.310 -12.303 -12.303 658 1HD LYS 5 HD2 LYS 5 -12.309 -12.106 -12.106 659 2HD LYS 5 HD1 LYS 5 -11.431 -11.947 -11.947 660 1HE LYS 5 HE2 LYS 5 -10.020 -10.358 -10.358 661 2HE LYS 5 HE1 LYS 5 -11.725 -10.022 -10.022 662 1HZ LYS 5 HZ3 LYS 5 -11.323 -10.156 -10.156 663 2HZ LYS 5 HZ2 LYS 5 -10.135 -9.128 -9.128 664 3HZ LYS 5 HZ1 LYS 5 -11.780 -8.814 -8.814 665 H ASN 6 HN ASN 6 -7.206 -14.836 -14.836 666 HA ASN 6 HA ASN 6 -6.958 -16.332 -16.332 667 1HB ASN 6 HB2 ASN 6 -8.596 -17.346 -17.346 668 2HB ASN 6 HB1 ASN 6 -7.059 -18.168 -18.168 669 1HD2 ASN 6 HD22 ASN 6 -7.939 -20.440 -20.440 670 2HD2 ASN 6 HD21 ASN 6 -7.450 -20.217 -20.217 671 H HIS 7 HN HIS 7 -5.980 -16.029 -16.029 672 HA HIS 7 HA HIS 7 -3.349 -17.197 -17.197 673 1HB HIS 7 HB2 HIS 7 -2.923 -16.477 -16.477 674 2HB HIS 7 HB1 HIS 7 -4.402 -17.427 -17.427 675 HD1 HIS 7 HD1 HIS 7 -4.582 -15.795 -15.795 676 HD2 HIS 7 HD2 HIS 7 -5.420 -14.112 -14.112 677 HE1 HIS 7 HE1 HIS 7 -5.984 -13.733 -13.733 678 H LEU 8 HN LEU 8 -4.425 -14.471 -14.471 679 HA LEU 8 HA LEU 8 -2.955 -12.274 -12.274 680 1HB LEU 8 HB2 LEU 8 -3.665 -13.201 -13.201 681 2HB LEU 8 HB1 LEU 8 -2.724 -11.726 -11.726 682 HG LEU 8 HG LEU 8 -4.458 -10.810 -10.810 683 1HD1 LEU 8 HD13 LEU 8 -5.801 -13.478 -13.478 684 2HD1 LEU 8 HD12 LEU 8 -6.568 -12.091 -12.091 685 3HD1 LEU 8 HD11 LEU 8 -5.166 -12.848 -12.848 686 1HD2 LEU 8 HD22 LEU 8 -4.776 -11.376 -11.376 687 2HD2 LEU 8 HD21 LEU 8 -5.565 -10.095 -10.095 688 3HD2 LEU 8 HD23 LEU 8 -6.349 -11.665 -11.665 689 H MET 9 HN MET 9 -1.719 -15.233 -15.233 690 HA MET 9 HA MET 9 0.953 -14.075 -14.075 691 1HB MET 9 HB2 MET 9 -0.217 -16.296 -16.296 692 2HB MET 9 HB1 MET 9 0.606 -17.021 -17.021 693 1HG MET 9 HG2 MET 9 2.382 -15.164 -15.164 694 2HG MET 9 HG1 MET 9 1.741 -16.292 -16.292 695 1HE MET 9 HE3 MET 9 2.670 -18.122 -18.122 696 2HE MET 9 HE2 MET 9 3.913 -19.090 -19.090 697 3HE MET 9 HE1 MET 9 4.297 -17.465 -17.465 698 H TYR 10 HN TYR 10 -0.336 -13.646 -13.646 699 HA TYR 10 HA TYR 10 1.589 -14.848 -14.848 700 1HB TYR 10 HB2 TYR 10 -0.071 -15.678 -15.678 701 2HB TYR 10 HB1 TYR 10 -1.040 -15.662 -15.662 702 HD1 TYR 10 HD2 TYR 10 -2.623 -13.582 -13.582 703 HD2 TYR 10 HD1 TYR 10 -0.568 -14.279 -14.279 704 HE1 TYR 10 HE2 TYR 10 -4.189 -12.077 -12.077 705 HE2 TYR 10 HE1 TYR 10 -2.149 -12.760 -12.760 706 HH TYR 10 HH TYR 10 -3.682 -11.058 -11.058 707 H ALA 11 HN ALA 11 -0.886 -12.485 -12.485 708 HA ALA 11 HA ALA 11 0.701 -10.346 -10.346 709 1HB ALA 11 HB3 ALA 11 -1.284 -11.241 -11.241 710 2HB ALA 11 HB2 ALA 11 -2.309 -10.565 -10.565 711 3HB ALA 11 HB1 ALA 11 -1.276 -9.506 -9.506 712 H VAL 12 HN VAL 12 -1.071 -11.468 -11.468 713 HA VAL 12 HA VAL 12 -1.998 -10.454 -10.454 714 HB VAL 12 HB VAL 12 0.494 -10.091 -10.091 715 1HG1 VAL 12 HG11 VAL 12 -0.258 -7.467 -7.467 716 2HG1 VAL 12 HG13 VAL 12 1.163 -7.622 -7.622 717 3HG1 VAL 12 HG12 VAL 12 1.042 -8.572 -8.572 718 1HG2 VAL 12 HG22 VAL 12 -1.173 -9.527 -9.527 719 2HG2 VAL 12 HG21 VAL 12 0.208 -8.430 -8.430 720 3HG2 VAL 12 HG23 VAL 12 -1.319 -7.906 -7.906 721 H ARG 13 HN ARG 13 -2.991 -9.704 -9.704 722 HA ARG 13 HA ARG 13 -3.409 -7.214 -7.214 723 1HB ARG 13 HB2 ARG 13 -4.896 -9.548 -9.548 724 2HB ARG 13 HB1 ARG 13 -6.008 -8.379 -8.379 725 1HG ARG 13 HG2 ARG 13 -6.399 -7.562 -7.562 726 2HG ARG 13 HG1 ARG 13 -4.714 -7.048 -7.048 727 1HD ARG 13 HD2 ARG 13 -4.185 -8.702 -8.702 728 2HD ARG 13 HD1 ARG 13 -5.002 -9.915 -9.915 729 HE ARG 13 HE ARG 13 -6.619 -9.827 -9.827 730 1HH1 ARG 13 HH21 ARG 13 -4.945 -7.244 -7.244 731 2HH1 ARG 13 HH22 ARG 13 -6.277 -6.167 -6.167 732 1HH2 ARG 13 HH11 ARG 13 -8.574 -8.201 -8.201 733 2HH2 ARG 13 HH12 ARG 13 -8.333 -6.709 -6.709 734 H GLU 14 HN GLU 14 -4.509 -5.321 -5.321 735 HA GLU 14 HA GLU 14 -5.639 -3.791 -3.791 736 1HB GLU 14 HB2 GLU 14 -5.591 -5.887 -5.887 737 2HB GLU 14 HB1 GLU 14 -6.627 -4.468 -4.468 738 1HG GLU 14 HG2 GLU 14 -6.971 -5.973 -5.973 739 2HG GLU 14 HG1 GLU 14 -7.108 -7.091 -7.091 740 H GLU 15 HN GLU 15 -3.315 -5.842 -5.842 741 HA GLU 15 HA GLU 15 -1.420 -5.222 -5.222 742 1HB GLU 15 HB2 GLU 15 -1.625 -2.874 -2.874 743 2HB GLU 15 HB1 GLU 15 -0.285 -3.093 -3.093 744 1HG GLU 15 HG2 GLU 15 0.702 -4.505 -4.505 745 2HG GLU 15 HG1 GLU 15 -0.701 -5.570 -5.570 746 H VAL 16 HN VAL 16 -0.731 -3.702 -3.702 747 HA VAL 16 HA VAL 16 -1.977 -1.354 -1.354 748 HB VAL 16 HB VAL 16 -4.138 -2.324 -2.324 749 1HG1 VAL 16 HG11 VAL 16 -2.684 -4.726 -4.726 750 2HG1 VAL 16 HG13 VAL 16 -3.781 -4.565 -4.565 751 3HG1 VAL 16 HG12 VAL 16 -4.418 -4.549 -4.549 752 1HG2 VAL 16 HG23 VAL 16 -2.908 -1.454 -1.454 753 2HG2 VAL 16 HG22 VAL 16 -4.644 -1.643 -1.643 754 3HG2 VAL 16 HG21 VAL 16 -3.710 -2.951 -2.951 755 H GLU 17 HN GLU 17 -0.982 -4.544 -4.544 756 HA GLU 17 HA GLU 17 0.026 -3.445 -3.445 757 1HB GLU 17 HB2 GLU 17 0.025 -6.104 -6.104 758 2HB GLU 17 HB1 GLU 17 1.288 -5.816 -5.816 759 1HG GLU 17 HG2 GLU 17 -0.519 -6.717 -6.717 760 2HG GLU 17 HG1 GLU 17 -0.601 -4.979 -4.979 761 H ILE 18 HN ILE 18 1.378 -4.149 -4.149 762 HA ILE 18 HA ILE 18 4.145 -3.848 -3.848 763 HB ILE 18 HB ILE 18 3.053 -3.262 -3.262 764 1HG1 ILE 18 HG12 ILE 18 3.403 -5.931 -5.931 765 2HG1 ILE 18 HG11 ILE 18 1.946 -5.302 -5.302 766 1HG2 ILE 18 HG23 ILE 18 5.541 -3.034 -3.034 767 2HG2 ILE 18 HG22 ILE 18 5.536 -4.797 -4.797 768 3HG2 ILE 18 HG21 ILE 18 5.186 -3.945 -3.945 769 1HD1 ILE 18 HD11 ILE 18 4.530 -5.902 -5.902 770 2HD1 ILE 18 HD13 ILE 18 3.138 -6.983 -6.983 771 3HD1 ILE 18 HD12 ILE 18 3.001 -5.407 -5.407 772 H LEU 19 HN LEU 19 1.593 -1.619 -1.619 773 HA LEU 19 HA LEU 19 3.486 0.633 0.633 774 1HB LEU 19 HB2 LEU 19 0.467 0.785 0.785 775 2HB LEU 19 HB1 LEU 19 1.605 1.929 1.929 776 HG LEU 19 HG LEU 19 1.953 -0.772 -0.772 777 1HD1 LEU 19 HD13 LEU 19 -0.517 -0.780 -0.780 778 2HD1 LEU 19 HD12 LEU 19 -0.667 0.644 0.644 779 3HD1 LEU 19 HD11 LEU 19 -0.121 -0.886 -0.886 780 1HD2 LEU 19 HD23 LEU 19 2.151 1.986 1.986 781 2HD2 LEU 19 HD22 LEU 19 2.788 0.561 0.561 782 3HD2 LEU 19 HD21 LEU 19 1.154 1.123 1.123 783 H LYS 20 HN LYS 20 1.173 -0.687 -0.687 784 HA LYS 20 HA LYS 20 1.220 1.622 1.622 785 1HB LYS 20 HB2 LYS 20 -0.690 0.114 0.114 786 2HB LYS 20 HB1 LYS 20 0.359 -1.254 -1.254 787 1HG LYS 20 HG2 LYS 20 0.916 0.785 0.785 788 2HG LYS 20 HG1 LYS 20 -0.837 0.617 0.617 789 1HD LYS 20 HD2 LYS 20 0.313 -2.002 -2.002 790 2HD LYS 20 HD1 LYS 20 1.026 -1.117 -1.117 791 1HE LYS 20 HE2 LYS 20 -0.862 -1.707 -1.707 792 2HE LYS 20 HE1 LYS 20 -1.614 -0.398 -0.398 793 1HZ LYS 20 HZ2 LYS 20 -1.468 -2.760 -2.760 794 2HZ LYS 20 HZ1 LYS 20 -2.263 -3.076 -3.076 795 3HZ LYS 20 HZ3 LYS 20 -2.833 -1.851 -1.851 796 H GLU 21 HN GLU 21 3.082 -1.314 -1.314 797 HA GLU 21 HA GLU 21 4.463 -1.055 -1.055 798 1HB GLU 21 HB2 GLU 21 4.336 -2.987 -2.987 799 2HB GLU 21 HB1 GLU 21 6.014 -2.648 -2.648 800 1HG GLU 21 HG2 GLU 21 5.502 -4.325 -4.325 801 2HG GLU 21 HG1 GLU 21 5.121 -2.882 -2.882 802 H GLN 22 HN GLN 22 4.997 -0.084 -0.084 803 HA GLN 22 HA GLN 22 7.747 0.757 0.757 804 1HB GLN 22 HB2 GLN 22 5.808 0.797 0.797 805 2HB GLN 22 HB1 GLN 22 6.885 2.195 2.195 806 1HG GLN 22 HG2 GLN 22 7.713 -0.723 -0.723 807 2HG GLN 22 HG1 GLN 22 7.932 0.434 0.434 808 1HE2 GLN 22 HE22 GLN 22 10.753 2.012 2.012 809 2HE2 GLN 22 HE21 GLN 22 9.554 2.151 2.151 810 H ILE 23 HN ILE 23 4.562 2.294 2.294 811 HA ILE 23 HA ILE 23 5.645 4.959 4.959 812 HB ILE 23 HB ILE 23 3.358 4.353 4.353 813 1HG1 ILE 23 HG12 ILE 23 2.354 6.329 6.329 814 2HG1 ILE 23 HG11 ILE 23 4.083 6.495 6.495 815 1HG2 ILE 23 HG22 ILE 23 2.855 2.871 2.871 816 2HG2 ILE 23 HG21 ILE 23 2.398 4.397 4.397 817 3HG2 ILE 23 HG23 ILE 23 1.553 3.840 3.840 818 1HD1 ILE 23 HD12 ILE 23 3.032 6.245 6.245 819 2HD1 ILE 23 HD11 ILE 23 3.088 7.808 7.808 820 3HD1 ILE 23 HD13 ILE 23 4.575 6.901 6.901 821 H ARG 24 HN ARG 24 4.617 2.229 2.229 822 HA ARG 24 HA ARG 24 4.493 3.724 3.724 823 1HB ARG 24 HB2 ARG 24 3.198 1.633 1.633 824 2HB ARG 24 HB1 ARG 24 4.708 0.734 0.734 825 1HG ARG 24 HG2 ARG 24 4.939 2.257 2.257 826 2HG ARG 24 HG1 ARG 24 3.332 1.532 1.532 827 1HD ARG 24 HD2 ARG 24 5.046 -0.489 -0.489 828 2HD ARG 24 HD1 ARG 24 5.905 0.267 0.267 829 HE ARG 24 HE ARG 24 3.595 -1.423 -1.423 830 1HH1 ARG 24 HH21 ARG 24 1.972 0.434 0.434 831 2HH1 ARG 24 HH22 ARG 24 2.585 0.781 0.781 832 1HH2 ARG 24 HH11 ARG 24 5.724 -0.549 -0.549 833 2HH2 ARG 24 HH12 ARG 24 4.709 0.223 0.223 834 H GLU 25 HN GLU 25 6.872 1.837 1.837 835 HA GLU 25 HA GLU 25 8.833 1.904 1.904 836 1HB GLU 25 HB2 GLU 25 8.549 0.530 0.530 837 2HB GLU 25 HB1 GLU 25 10.066 1.426 1.426 838 1HG GLU 25 HG2 GLU 25 9.482 -0.011 -0.011 839 2HG GLU 25 HG1 GLU 25 9.839 -1.022 -1.022 840 H LEU 26 HN LEU 26 7.939 3.798 3.798 841 HA LEU 26 HA LEU 26 10.368 5.408 5.408 842 1HB LEU 26 HB2 LEU 26 7.815 5.312 5.312 843 2HB LEU 26 HB1 LEU 26 8.460 6.937 6.937 844 HG LEU 26 HG LEU 26 9.322 5.944 5.944 845 1HD1 LEU 26 HD13 LEU 26 10.853 7.052 7.052 846 2HD1 LEU 26 HD12 LEU 26 11.826 5.758 5.758 847 3HD1 LEU 26 HD11 LEU 26 11.234 7.065 7.065 848 1HD2 LEU 26 HD21 LEU 26 9.986 3.722 3.722 849 2HD2 LEU 26 HD23 LEU 26 9.389 3.641 3.641 850 3HD2 LEU 26 HD22 LEU 26 11.085 4.017 4.017 851 H VAL 27 HN VAL 27 7.149 5.605 5.605 852 HA VAL 27 HA VAL 27 7.639 8.292 8.292 853 HB VAL 27 HB VAL 27 5.460 7.936 7.936 854 1HG1 VAL 27 HG11 VAL 27 5.506 7.233 7.233 855 2HG1 VAL 27 HG13 VAL 27 4.088 7.799 7.799 856 3HG1 VAL 27 HG12 VAL 27 5.482 8.860 8.860 857 1HG2 VAL 27 HG23 VAL 27 6.083 5.186 5.186 858 2HG2 VAL 27 HG22 VAL 27 4.862 5.801 5.801 859 3HG2 VAL 27 HG21 VAL 27 4.491 5.640 5.640 860 H GLU 28 HN GLU 28 8.055 4.975 4.975 861 HA GLU 28 HA GLU 28 8.320 5.570 5.570 862 1HB GLU 28 HB2 GLU 28 7.750 3.283 3.283 863 2HB GLU 28 HB1 GLU 28 9.482 3.154 3.154 864 1HG GLU 28 HG2 GLU 28 9.933 3.482 3.482 865 2HG GLU 28 HG1 GLU 28 8.198 3.578 3.578 866 H LYS 29 HN LYS 29 10.448 5.205 5.205 867 HA LYS 29 HA LYS 29 12.902 5.527 5.527 868 1HB LYS 29 HB2 LYS 29 12.144 5.243 5.243 869 2HB LYS 29 HB1 LYS 29 13.596 6.200 6.200 870 1HG LYS 29 HG2 LYS 29 13.961 4.073 4.073 871 2HG LYS 29 HG1 LYS 29 13.157 3.307 3.307 872 1HD LYS 29 HD2 LYS 29 15.426 5.216 5.216 873 2HD LYS 29 HD1 LYS 29 15.770 3.551 3.551 874 1HE LYS 29 HE2 LYS 29 13.768 3.401 3.401 875 2HE LYS 29 HE1 LYS 29 14.949 4.572 4.572 876 1HZ LYS 29 HZ2 LYS 29 16.267 2.370 2.370 877 2HZ LYS 29 HZ1 LYS 29 15.176 1.813 1.813 878 3HZ LYS 29 HZ3 LYS 29 16.369 2.944 2.944 879 H ASN 30 HN ASN 30 10.731 7.600 7.600 880 HA ASN 30 HA ASN 30 12.342 9.990 9.990 881 1HB ASN 30 HB2 ASN 30 9.756 9.256 9.256 882 2HB ASN 30 HB1 ASN 30 9.605 10.723 10.723 883 1HD2 ASN 30 HD22 ASN 30 11.782 12.633 12.633 884 2HD2 ASN 30 HD21 ASN 30 11.297 12.480 12.480 885 H SER 31 HN SER 31 9.970 8.383 8.383 886 HA SER 31 HA SER 31 9.592 10.568 10.568 887 1HB SER 31 HB2 SER 31 7.867 9.008 9.008 888 2HB SER 31 HB1 SER 31 8.953 7.635 7.635 889 HG SER 31 HG SER 31 8.429 7.689 7.689 890 H GLN 32 HN GLN 32 11.737 7.751 7.751 891 HA GLN 32 HA GLN 32 12.942 8.157 8.157 892 1HB GLN 32 HB2 GLN 32 13.329 6.403 6.403 893 2HB GLN 32 HB1 GLN 32 14.873 6.957 6.957 894 1HG GLN 32 HG2 GLN 32 14.527 5.945 5.945 895 2HG GLN 32 HG1 GLN 32 12.771 6.039 6.039 896 1HE2 GLN 32 HE22 GLN 32 12.537 2.758 2.758 897 2HE2 GLN 32 HE21 GLN 32 11.802 4.058 4.058 898 H LEU 33 HN LEU 33 13.466 9.429 9.429 899 HA LEU 33 HA LEU 33 15.978 10.761 10.761 900 1HB LEU 33 HB2 LEU 33 14.156 11.150 11.150 901 2HB LEU 33 HB1 LEU 33 15.805 11.755 11.755 902 HG LEU 33 HG LEU 33 15.325 8.828 8.828 903 1HD1 LEU 33 HD13 LEU 33 15.397 10.258 10.258 904 2HD1 LEU 33 HD12 LEU 33 15.640 8.521 8.521 905 3HD1 LEU 33 HD11 LEU 33 14.093 9.249 9.249 906 1HD2 LEU 33 HD21 LEU 33 17.530 10.693 10.693 907 2HD2 LEU 33 HD23 LEU 33 17.569 9.214 9.214 908 3HD2 LEU 33 HD22 LEU 33 17.570 9.122 9.122 909 H GLU 34 HN GLU 34 12.578 11.434 11.434 910 HA GLU 34 HA GLU 34 12.882 14.337 14.337 911 1HB GLU 34 HB2 GLU 34 10.780 13.303 13.303 912 2HB GLU 34 HB1 GLU 34 10.542 12.566 12.566 913 1HG GLU 34 HG2 GLU 34 10.876 15.110 15.110 914 2HG GLU 34 HG1 GLU 34 10.239 15.413 15.413 915 H ARG 35 HN ARG 35 12.601 11.658 11.658 916 HA ARG 35 HA ARG 35 12.457 13.409 13.409 917 1HB ARG 35 HB2 ARG 35 11.486 11.071 11.071 918 2HB ARG 35 HB1 ARG 35 13.141 10.456 10.456 919 1HG ARG 35 HG2 ARG 35 12.395 12.443 12.443 920 2HG ARG 35 HG1 ARG 35 11.760 10.806 10.806 921 1HD ARG 35 HD2 ARG 35 14.143 9.976 9.976 922 2HD ARG 35 HD1 ARG 35 14.659 11.653 11.653 923 HE ARG 35 HE ARG 35 14.330 11.401 11.401 924 1HH1 ARG 35 HH21 ARG 35 13.594 8.492 8.492 925 2HH1 ARG 35 HH22 ARG 35 12.533 7.921 7.921 926 1HH2 ARG 35 HH11 ARG 35 12.485 10.939 10.939 927 2HH2 ARG 35 HH12 ARG 35 11.906 9.307 9.307 928 H GLU 36 HN GLU 36 14.945 11.650 11.650 929 HA GLU 36 HA GLU 36 17.014 12.292 12.292 930 1HB GLU 36 HB2 GLU 36 16.753 10.443 10.443 931 2HB GLU 36 HB1 GLU 36 18.072 11.526 11.526 932 1HG GLU 36 HG2 GLU 36 19.358 10.954 10.954 933 2HG GLU 36 HG1 GLU 36 17.955 10.430 10.430 934 H ASN 37 HN ASN 37 15.694 13.622 13.622 935 HA ASN 37 HA ASN 37 17.903 15.444 15.444 936 1HB ASN 37 HB2 ASN 37 16.385 14.778 14.778 937 2HB ASN 37 HB1 ASN 37 15.014 15.455 15.455 938 1HD2 ASN 37 HD22 ASN 37 15.545 18.663 18.663 939 2HD2 ASN 37 HD21 ASN 37 14.473 17.542 17.542 940 H THR 38 HN THR 38 14.696 15.706 15.706 941 HA THR 38 HA THR 38 15.005 18.510 18.510 942 HB THR 38 HB THR 38 12.796 17.279 17.279 943 HG1 THR 38 HG1 THR 38 12.432 19.088 19.088 944 1HG2 THR 38 HG21 THR 38 14.040 15.519 15.519 945 2HG2 THR 38 HG23 THR 38 12.915 16.399 16.399 946 3HG2 THR 38 HG22 THR 38 12.320 15.544 15.544 947 H LEU 39 HN LEU 39 15.936 15.495 15.495 948 HA LEU 39 HA LEU 39 16.438 16.598 16.598 949 1HB LEU 39 HB2 LEU 39 16.672 14.026 14.026 950 2HB LEU 39 HB1 LEU 39 18.113 14.367 14.367 951 HG LEU 39 HG LEU 39 16.721 14.829 14.829 952 1HD1 LEU 39 HD13 LEU 39 14.579 14.658 14.658 953 2HD1 LEU 39 HD12 LEU 39 14.209 13.937 13.937 954 3HD1 LEU 39 HD11 LEU 39 14.662 15.639 15.639 955 1HD2 LEU 39 HD23 LEU 39 16.153 12.220 12.220 956 2HD2 LEU 39 HD22 LEU 39 17.415 12.532 12.532 957 3HD2 LEU 39 HD21 LEU 39 15.722 12.507 12.507 958 H LEU 40 HN LEU 40 18.485 15.862 15.862 959 HA LEU 40 HA LEU 40 20.857 16.976 16.976 960 1HB LEU 40 HB2 LEU 40 20.262 15.475 15.475 961 2HB LEU 40 HB1 LEU 40 21.338 16.831 16.831 962 HG LEU 40 HG LEU 40 21.871 15.107 15.107 963 1HD1 LEU 40 HD13 LEU 40 21.599 13.946 13.946 964 2HD1 LEU 40 HD12 LEU 40 23.314 14.358 14.358 965 3HD1 LEU 40 HD11 LEU 40 22.635 13.332 13.332 966 1HD2 LEU 40 HD21 LEU 40 23.410 16.910 16.910 967 2HD2 LEU 40 HD23 LEU 40 23.304 16.966 16.966 968 3HD2 LEU 40 HD22 LEU 40 24.257 15.708 15.708 969 H LYS 41 HN LYS 41 18.210 18.206 18.206 970 HA LYS 41 HA LYS 41 19.642 20.575 20.575 971 1HB LYS 41 HB2 LYS 41 17.621 19.553 19.553 972 2HB LYS 41 HB1 LYS 41 16.644 20.159 20.159 973 1HG LYS 41 HG2 LYS 41 17.556 22.458 22.458 974 2HG LYS 41 HG1 LYS 41 18.318 21.796 21.796 975 1HD LYS 41 HD2 LYS 41 16.379 22.199 22.199 976 2HD LYS 41 HD1 LYS 41 15.676 20.889 20.889 977 1HE LYS 41 HE2 LYS 41 15.872 23.436 23.436 978 2HE LYS 41 HE1 LYS 41 14.811 23.501 23.501 979 1HZ LYS 41 HZ3 LYS 41 14.522 21.125 21.125 980 2HZ LYS 41 HZ2 LYS 41 14.094 22.564 22.564 981 3HZ LYS 41 HZ1 LYS 41 13.334 22.139 22.139 982 H THR 42 HN THR 42 17.538 19.666 19.666 983 HA THR 42 HA THR 42 17.440 22.405 22.405 984 HB THR 42 HB THR 42 16.513 19.738 19.738 985 HG1 THR 42 HG1 THR 42 14.980 21.970 21.970 986 1HG2 THR 42 HG22 THR 42 17.215 21.522 21.522 987 2HG2 THR 42 HG21 THR 42 15.854 22.467 22.467 988 3HG2 THR 42 HG23 THR 42 15.574 20.891 20.891 989 H LEU 43 HN LEU 43 19.273 19.453 19.453 990 HA LEU 43 HA LEU 43 20.553 20.304 20.304 991 1HB LEU 43 HB2 LEU 43 20.925 18.068 18.068 992 2HB LEU 43 HB1 LEU 43 22.236 18.435 18.435 993 HG LEU 43 HG LEU 43 19.385 18.051 18.051 994 1HD1 LEU 43 HD13 LEU 43 21.450 16.057 16.057 995 2HD1 LEU 43 HD12 LEU 43 20.621 15.770 15.770 996 3HD1 LEU 43 HD11 LEU 43 19.694 15.901 15.901 997 1HD2 LEU 43 HD22 LEU 43 22.110 18.165 18.165 998 2HD2 LEU 43 HD21 LEU 43 20.682 19.131 19.131 999 3HD2 LEU 43 HD23 LEU 43 20.733 17.428 17.428 1000 H ALA 44 HN ALA 44 21.506 20.192 20.192 1001 HA ALA 44 HA ALA 44 24.060 21.488 21.488 1002 1HB ALA 44 HB3 ALA 44 23.524 19.979 19.979 1003 2HB ALA 44 HB2 ALA 44 22.578 21.316 21.316 1004 3HB ALA 44 HB1 ALA 44 24.314 21.502 21.502 1005 H SER 45 HN SER 45 20.823 22.521 22.521 1006 HA SER 45 HA SER 45 21.714 25.337 25.337 1007 1HB SER 45 HB2 SER 45 19.709 24.563 24.563 1008 2HB SER 45 HB1 SER 45 20.554 26.096 26.096 1009 HG SER 45 HG SER 45 21.291 24.277 24.277 1010 HA PRO 46 HA PRO 46 18.053 24.544 24.544 1011 1HB PRO 46 HB2 PRO 46 18.973 26.094 26.094 1012 2HB PRO 46 HB1 PRO 46 19.379 24.381 24.381 1013 1HG PRO 46 HG2 PRO 46 21.079 26.781 26.781 1014 2HG PRO 46 HG1 PRO 46 21.562 25.133 25.133 1015 1HD PRO 46 HD2 PRO 46 21.682 26.254 26.254 1016 2HD PRO 46 HD1 PRO 46 21.817 24.527 24.527 1017 H GLU 47 HN GLU 47 19.788 27.529 27.529 1018 HA GLU 47 HA GLU 47 19.022 29.747 29.747 1019 1HB GLU 47 HB2 GLU 47 18.065 28.182 28.182 1020 2HB GLU 47 HB1 GLU 47 16.533 28.702 28.702 1021 1HG GLU 47 HG2 GLU 47 16.780 30.558 30.558 1022 2HG GLU 47 HG1 GLU 47 17.975 31.054 31.054 1023 H GLN 48 HN GLN 48 16.175 30.462 30.462 1024 HA GLN 48 HA GLN 48 14.768 29.835 29.835 1025 1HB GLN 48 HB2 GLN 48 16.764 31.884 31.884 1026 2HB GLN 48 HB1 GLN 48 15.194 32.688 32.688 1027 1HG GLN 48 HG2 GLN 48 15.015 32.226 32.226 1028 2HG GLN 48 HG1 GLN 48 14.804 30.536 30.536 1029 1HE2 GLN 48 HE22 GLN 48 17.655 29.998 29.998 1030 2HE2 GLN 48 HE21 GLN 48 15.966 29.857 29.857 1031 H LEU 49 HN LEU 49 13.432 29.392 29.392 1032 HA LEU 49 HA LEU 49 11.633 31.425 31.425 1033 1HB LEU 49 HB2 LEU 49 14.083 31.886 31.886 1034 2HB LEU 49 HB1 LEU 49 13.136 31.138 31.138 1035 HG LEU 49 HG LEU 49 13.047 33.749 33.749 1036 1HD1 LEU 49 HD12 LEU 49 11.417 31.833 31.833 1037 2HD1 LEU 49 HD11 LEU 49 10.364 33.045 33.045 1038 3HD1 LEU 49 HD13 LEU 49 11.599 33.533 33.533 1039 1HD2 LEU 49 HD22 LEU 49 12.157 33.189 33.189 1040 2HD2 LEU 49 HD21 LEU 49 11.580 34.595 34.595 1041 3HD2 LEU 49 HD23 LEU 49 10.619 33.121 33.121 1042 H GLU 50 HN GLU 50 11.706 28.763 28.763 1043 HA GLU 50 HA GLU 50 10.227 27.532 27.532 1044 1HB GLU 50 HB2 GLU 50 12.216 25.866 25.866 1045 2HB GLU 50 HB1 GLU 50 11.575 25.613 25.613 1046 1HG GLU 50 HG2 GLU 50 12.873 27.542 27.542 1047 2HG GLU 50 HG1 GLU 50 13.510 27.812 27.812 1048 H LYS 51 HN LYS 51 9.711 28.902 28.902 1049 HA LYS 51 HA LYS 51 8.583 26.822 26.822 1050 1HB LYS 51 HB2 LYS 51 10.289 29.167 29.167 1051 2HB LYS 51 HB1 LYS 51 8.996 28.927 28.927 1052 1HG LYS 51 HG2 LYS 51 10.857 27.715 27.715 1053 2HG LYS 51 HG1 LYS 51 9.795 26.496 26.496 1054 1HD LYS 51 HD2 LYS 51 12.160 26.099 26.099 1055 2HD LYS 51 HD1 LYS 51 11.175 26.427 26.427 1056 1HE LYS 51 HE2 LYS 51 11.927 28.836 28.836 1057 2HE LYS 51 HE1 LYS 51 13.036 28.356 28.356 1058 1HZ LYS 51 HZ2 LYS 51 13.832 26.622 26.622 1059 2HZ LYS 51 HZ1 LYS 51 13.053 27.579 27.579 1060 3HZ LYS 51 HZ3 LYS 51 14.310 28.232 28.232 1061 H PHE 52 HN PHE 52 7.127 28.509 28.509 1062 HA PHE 52 HA PHE 52 4.970 29.553 29.553 1063 1HB PHE 52 HB2 PHE 52 5.104 31.762 31.762 1064 2HB PHE 52 HB1 PHE 52 6.085 31.624 31.624 1065 HD1 PHE 52 HD1 PHE 52 8.424 30.617 30.617 1066 HD2 PHE 52 HD2 PHE 52 6.212 32.084 32.084 1067 HE1 PHE 52 HE1 PHE 52 10.400 30.567 30.567 1068 HE2 PHE 52 HE2 PHE 52 8.265 32.058 32.058 1069 HZ PHE 52 HZ PHE 52 10.347 31.262 31.262 1070 H GLN 53 HN GLN 53 6.234 29.619 29.619 1071 HA GLN 53 HA GLN 53 3.511 29.446 29.446 1072 1HB GLN 53 HB2 GLN 53 6.251 29.779 29.779 1073 2HB GLN 53 HB1 GLN 53 4.805 29.549 29.549 1074 1HG GLN 53 HG2 GLN 53 3.970 31.616 31.616 1075 2HG GLN 53 HG1 GLN 53 4.603 31.593 31.593 1076 1HE2 GLN 53 HE22 GLN 53 7.702 32.316 32.316 1077 2HE2 GLN 53 HE21 GLN 53 6.908 30.821 30.821 1078 H SER 54 HN SER 54 2.604 27.588 27.588 1079 HA SER 54 HA SER 54 3.483 25.026 25.026 1080 1HB SER 54 HB2 SER 54 1.849 24.224 24.224 1081 2HB SER 54 HB1 SER 54 1.231 25.789 25.789 1082 HG SER 54 HG SER 54 1.203 26.181 26.181 1083 H ARG 55 HN ARG 55 4.550 27.131 27.131 1084 HA ARG 55 HA ARG 55 5.783 25.112 25.112 1085 1HB ARG 55 HB2 ARG 55 7.229 27.170 27.170 1086 2HB ARG 55 HB1 ARG 55 5.509 27.153 27.153 1087 1HG ARG 55 HG2 ARG 55 4.993 28.743 28.743 1088 2HG ARG 55 HG1 ARG 55 6.396 28.352 28.352 1089 1HD ARG 55 HD2 ARG 55 6.384 30.568 30.568 1090 2HD ARG 55 HD1 ARG 55 7.854 29.599 29.599 1091 HE ARG 55 HE ARG 55 6.317 28.713 28.713 1092 1HH1 ARG 55 HH11 ARG 55 8.575 31.033 31.033 1093 2HH1 ARG 55 HH12 ARG 55 8.848 31.737 31.737 1094 1HH2 ARG 55 HH21 ARG 55 6.456 29.787 29.787 1095 2HH2 ARG 55 HH22 ARG 55 7.643 31.033 31.033 1096 H LEU 56 HN LEU 56 8.096 27.488 27.488 1097 HA LEU 56 HA LEU 56 10.229 25.880 25.880 1098 1HB LEU 56 HB2 LEU 56 10.702 27.677 27.677 1099 2HB LEU 56 HB1 LEU 56 10.741 28.125 28.125 1100 HG LEU 56 HG LEU 56 8.115 28.549 28.549 1101 1HD1 LEU 56 HD13 LEU 56 8.238 27.885 27.885 1102 2HD1 LEU 56 HD12 LEU 56 9.418 29.148 29.148 1103 3HD1 LEU 56 HD11 LEU 56 7.772 29.566 29.566 1104 1HD2 LEU 56 HD21 LEU 56 10.426 30.066 30.066 1105 2HD2 LEU 56 HD23 LEU 56 8.761 30.606 30.606 1106 3HD2 LEU 56 HD22 LEU 56 9.577 30.801 30.801 1107 H SER 57 HN SER 57 7.508 26.482 26.482 1108 HA SER 57 HA SER 57 8.585 24.462 24.462 1109 1HB SER 57 HB2 SER 57 7.707 25.681 25.681 1110 2HB SER 57 HB1 SER 57 7.889 27.008 27.008 1111 HG SER 57 HG SER 57 5.626 25.788 25.788 1112 HA PRO 58 HA PRO 58 5.110 22.273 22.273 1113 1HB PRO 58 HB2 PRO 58 5.827 19.823 19.823 1114 2HB PRO 58 HB1 PRO 58 6.486 20.531 20.531 1115 1HG PRO 58 HG2 PRO 58 7.769 20.248 20.248 1116 2HG PRO 58 HG1 PRO 58 8.527 20.351 20.351 1117 1HD PRO 58 HD2 PRO 58 8.331 22.458 22.458 1118 2HD PRO 58 HD1 PRO 58 8.788 22.624 22.624 1119 H GLU 59 HN GLU 59 3.330 22.803 22.803 1120 HA GLU 59 HA GLU 59 1.509 22.143 22.143 1121 1HB GLU 59 HB2 GLU 59 2.943 20.190 20.190 1122 2HB GLU 59 HB1 GLU 59 3.569 21.278 21.278 1123 1HG GLU 59 HG2 GLU 59 0.639 21.314 21.314 1124 2HG GLU 59 HG1 GLU 59 1.294 19.746 19.746 1125 H GLU 60 HN GLU 60 0.992 24.315 24.315 1126 HA GLU 60 HA GLU 60 0.967 25.571 25.571 1127 1HB GLU 60 HB2 GLU 60 3.384 25.634 25.634 1128 2HB GLU 60 HB1 GLU 60 3.484 26.315 26.315 1129 1HG GLU 60 HG2 GLU 60 3.759 28.180 28.180 1130 2HG GLU 60 HG1 GLU 60 2.060 28.260 28.260 1131 HA PRO 61 HA PRO 61 -1.307 28.112 28.112 1132 1HB PRO 61 HB2 PRO 61 -2.688 29.513 29.513 1133 2HB PRO 61 HB1 PRO 61 -3.119 27.873 27.873 1134 1HG PRO 61 HG2 PRO 61 -1.801 28.764 28.764 1135 2HG PRO 61 HG1 PRO 61 -2.775 27.317 27.317 1136 1HD PRO 61 HD2 PRO 61 0.055 27.418 27.418 1137 2HD PRO 61 HD1 PRO 61 -0.915 26.054 26.054 1138 H ALA 62 HN ALA 62 -0.926 30.195 30.195 1139 HA ALA 62 HA ALA 62 0.133 32.339 32.339 1140 1HB ALA 62 HB2 ALA 62 1.946 30.659 30.659 1141 2HB ALA 62 HB1 ALA 62 2.232 32.400 32.400 1142 3HB ALA 62 HB3 ALA 62 2.269 31.482 31.482 1143 HA PRO 63 HA PRO 63 -1.958 34.024 34.024 1144 1HB PRO 63 HB2 PRO 63 -2.640 36.382 36.382 1145 2HB PRO 63 HB1 PRO 63 -3.576 34.885 34.885 1146 1HG PRO 63 HG2 PRO 63 -1.748 36.182 36.182 1147 2HG PRO 63 HG1 PRO 63 -3.129 35.111 35.111 1148 1HD PRO 63 HD2 PRO 63 -0.399 34.363 34.363 1149 2HD PRO 63 HD1 PRO 63 -1.787 33.253 33.253 1150 H GLU 64 HN GLU 64 -1.686 36.392 36.392 1151 HA GLU 64 HA GLU 64 1.177 36.824 36.824 1152 1HB GLU 64 HB2 GLU 64 -0.337 37.145 37.145 1153 2HB GLU 64 HB1 GLU 64 -1.203 38.406 38.406 1154 1HG GLU 64 HG2 GLU 64 0.389 39.965 39.965 1155 2HG GLU 64 HG1 GLU 64 1.707 38.830 38.830 1156 H THR 65 HN THR 65 1.665 37.351 37.351 1157 HA THR 65 HA THR 65 0.700 40.030 40.030 1158 HB THR 65 HB THR 65 1.125 39.373 39.373 1159 HG1 THR 65 HG1 THR 65 3.002 38.586 38.586 1160 1HG2 THR 65 HG21 THR 65 -0.372 37.691 37.691 1161 2HG2 THR 65 HG23 THR 65 0.959 36.577 36.577 1162 3HG2 THR 65 HG22 THR 65 0.092 37.313 37.313 1163 HA PRO 66 HA PRO 66 4.629 41.865 41.865 1164 1HB PRO 66 HB2 PRO 66 4.797 43.577 43.577 1165 2HB PRO 66 HB1 PRO 66 3.732 43.849 43.849 1166 1HG PRO 66 HG2 PRO 66 3.029 42.954 42.954 1167 2HG PRO 66 HG1 PRO 66 2.035 43.808 43.808 1168 1HD PRO 66 HD2 PRO 66 1.902 41.045 41.045 1169 2HD PRO 66 HD1 PRO 66 1.147 41.849 41.849 1170 H GLU 67 HN GLU 67 6.772 42.476 42.476 1171 HA GLU 67 HA GLU 67 8.636 41.529 41.529 1172 1HB GLU 67 HB2 GLU 67 6.499 40.749 40.749 1173 2HB GLU 67 HB1 GLU 67 8.230 40.871 40.871 1174 1HG GLU 67 HG2 GLU 67 7.858 43.023 43.023 1175 2HG GLU 67 HG1 GLU 67 7.581 43.328 43.328 1176 H ALA 68 HN ALA 68 9.015 39.240 39.240 1177 HA ALA 68 HA ALA 68 7.679 36.903 36.903 1178 1HB ALA 68 HB2 ALA 68 9.331 38.067 38.067 1179 2HB ALA 68 HB1 ALA 68 9.919 36.463 36.463 1180 3HB ALA 68 HB3 ALA 68 8.249 36.678 36.678 1181 HA PRO 69 HA PRO 69 12.014 35.705 35.705 1182 1HB PRO 69 HB2 PRO 69 13.920 37.682 37.682 1183 2HB PRO 69 HB1 PRO 69 13.682 36.646 36.646 1184 1HG PRO 69 HG2 PRO 69 12.911 39.502 39.502 1185 2HG PRO 69 HG1 PRO 69 13.294 38.639 38.639 1186 1HD PRO 69 HD2 PRO 69 10.701 39.284 39.284 1187 2HD PRO 69 HD1 PRO 69 11.096 38.120 38.120 1188 H GLU 70 HN GLU 70 10.782 35.674 35.674 1189 HA GLU 70 HA GLU 70 10.884 38.061 38.061 1190 1HB GLU 70 HB2 GLU 70 9.650 35.319 35.319 1191 2HB GLU 70 HB1 GLU 70 9.521 36.654 36.654 1192 1HG GLU 70 HG2 GLU 70 8.566 38.034 38.034 1193 2HG GLU 70 HG1 GLU 70 8.429 36.516 36.516 1194 H ALA 71 HN ALA 71 11.192 37.067 37.067 1195 HA ALA 71 HA ALA 71 12.815 36.389 36.389 1196 1HB ALA 71 HB3 ALA 71 12.489 34.265 34.265 1197 2HB ALA 71 HB2 ALA 71 14.209 34.593 34.593 1198 3HB ALA 71 HB1 ALA 71 13.566 34.254 34.254 1199 HA PRO 72 HA PRO 72 16.188 38.982 38.982 1200 1HB PRO 72 HB2 PRO 72 17.529 38.888 38.888 1201 2HB PRO 72 HB1 PRO 72 16.085 39.880 39.880 1202 1HG PRO 72 HG2 PRO 72 16.348 37.332 37.332 1203 2HG PRO 72 HG1 PRO 72 15.170 38.641 38.641 1204 1HD PRO 72 HD2 PRO 72 14.702 36.165 36.165 1205 2HD PRO 72 HD1 PRO 72 13.657 37.599 37.599 1206 H GLY 73 HN GLY 73 18.457 38.735 38.735 1207 1HA GLY 73 HA2 GLY 73 19.323 35.905 35.905 1208 2HA GLY 73 HA1 GLY 73 20.051 37.247 37.247 1209 H GLY 74 HN GLY 74 19.443 36.535 36.535 1210 1HA GLY 74 HA2 GLY 74 22.334 36.635 36.635 1211 2HA GLY 74 HA1 GLY 74 21.401 37.953 37.953 1212 H SER 75 HN SER 75 22.068 37.055 37.055 1213 HA SER 75 HA SER 75 21.458 35.928 35.928 1214 1HB SER 75 HB2 SER 75 19.108 36.090 36.090 1215 2HB SER 75 HB1 SER 75 19.310 34.342 34.342 1216 HG SER 75 HG SER 75 18.219 35.371 35.371 1217 H ALA 76 HN ALA 76 23.530 34.790 34.790 1218 HA ALA 76 HA ALA 76 23.054 31.882 31.882 1219 1HB ALA 76 HB1 ALA 76 24.663 33.485 33.485 1220 2HB ALA 76 HB3 ALA 76 25.098 31.812 31.812 1221 3HB ALA 76 HB2 ALA 76 23.505 32.190 32.190 1222 H VAL 77 HN VAL 77 23.659 32.696 32.696 1223 HA VAL 77 HA VAL 77 25.239 32.547 32.547 1224 HB VAL 77 HB VAL 77 27.245 31.585 31.585 1225 1HG1 VAL 77 HG13 VAL 77 27.006 31.691 31.691 1226 2HG1 VAL 77 HG12 VAL 77 27.216 30.026 30.026 1227 3HG1 VAL 77 HG11 VAL 77 28.404 31.255 31.255 1228 1HG2 VAL 77 HG21 VAL 77 24.828 30.151 30.151 1229 2HG2 VAL 77 HG23 VAL 77 25.342 30.279 30.279 1230 3HG2 VAL 77 HG22 VAL 77 26.253 29.272 29.272 Start of MODEL 4 1 1H ACE 0 HA1 ACE 0 -8.496 -6.337 -6.337 2 2H ACE 0 HA2 ACE 0 -9.100 -4.826 -4.826 3 3H ACE 0 HA3 ACE 0 -9.083 -5.063 -5.063 4 H MET 1 HN MET 1 -7.270 -4.425 -4.425 5 HA MET 1 HA MET 1 -5.340 -2.728 -2.728 6 1HB MET 1 HB2 MET 1 -5.100 -4.634 -4.634 7 2HB MET 1 HB1 MET 1 -3.923 -3.370 -3.370 8 1HG MET 1 HG2 MET 1 -6.414 -2.086 -2.086 9 2HG MET 1 HG1 MET 1 -6.512 -3.142 -3.142 10 1HE MET 1 HE3 MET 1 -6.797 -0.303 -0.303 11 2HE MET 1 HE2 MET 1 -6.421 -0.112 -0.112 12 3HE MET 1 HE1 MET 1 -5.514 0.803 0.803 13 H ASP 2 HN ASP 2 -3.026 -3.108 -3.108 14 HA ASP 2 HA ASP 2 -1.749 -5.571 -5.571 15 1HB ASP 2 HB2 ASP 2 -3.812 -5.109 -5.109 16 2HB ASP 2 HB1 ASP 2 -2.228 -5.500 -5.500 17 H LEU 3 HN LEU 3 -2.286 -2.338 -2.338 18 HA LEU 3 HA LEU 3 0.365 -2.281 -2.281 19 1HB LEU 3 HB2 LEU 3 -1.540 -1.139 -1.139 20 2HB LEU 3 HB1 LEU 3 -1.719 -0.100 -0.100 21 HG LEU 3 HG LEU 3 1.001 0.053 0.053 22 1HD1 LEU 3 HD11 LEU 3 -0.303 -0.838 -0.838 23 2HD1 LEU 3 HD13 LEU 3 -0.346 0.912 0.912 24 3HD1 LEU 3 HD12 LEU 3 1.198 0.087 0.087 25 1HD2 LEU 3 HD23 LEU 3 -1.411 1.832 1.832 26 2HD2 LEU 3 HD22 LEU 3 0.005 1.985 1.985 27 3HD2 LEU 3 HD21 LEU 3 0.122 2.387 2.387 28 H VAL 4 HN VAL 4 -1.319 -0.784 -0.784 29 HA VAL 4 HA VAL 4 0.864 0.880 0.880 30 HB VAL 4 HB VAL 4 -0.360 1.144 1.144 31 1HG1 VAL 4 HG11 VAL 4 -1.413 1.846 1.846 32 2HG1 VAL 4 HG13 VAL 4 -2.539 0.522 0.522 33 3HG1 VAL 4 HG12 VAL 4 -2.436 1.862 1.862 34 1HG2 VAL 4 HG22 VAL 4 -1.290 -1.599 -1.599 35 2HG2 VAL 4 HG21 VAL 4 -0.929 -0.891 -0.891 36 3HG2 VAL 4 HG23 VAL 4 -2.468 -0.549 -0.549 37 H LYS 5 HN LYS 5 0.200 -2.507 -2.507 38 HA LYS 5 HA LYS 5 2.141 -2.871 -2.871 39 1HB LYS 5 HB2 LYS 5 1.730 -5.319 -5.319 40 2HB LYS 5 HB1 LYS 5 0.266 -4.405 -4.405 41 1HG LYS 5 HG2 LYS 5 -0.594 -4.741 -4.741 42 2HG LYS 5 HG1 LYS 5 0.950 -4.422 -4.422 43 1HD LYS 5 HD2 LYS 5 0.459 -6.991 -6.991 44 2HD LYS 5 HD1 LYS 5 -0.003 -6.818 -6.818 45 1HE LYS 5 HE2 LYS 5 2.249 -6.433 -6.433 46 2HE LYS 5 HE1 LYS 5 2.782 -6.174 -6.174 47 1HZ LYS 5 HZ2 LYS 5 1.634 -8.742 -8.742 48 2HZ LYS 5 HZ1 LYS 5 3.297 -8.409 -8.409 49 3HZ LYS 5 HZ3 LYS 5 2.507 -8.434 -8.434 50 H ASN 6 HN ASN 6 2.725 -1.889 -1.889 51 HA ASN 6 HA ASN 6 4.849 -3.857 -3.857 52 1HB ASN 6 HB2 ASN 6 3.071 -2.181 -2.181 53 2HB ASN 6 HB1 ASN 6 4.736 -1.734 -1.734 54 1HD2 ASN 6 HD22 ASN 6 3.719 -4.617 -4.617 55 2HD2 ASN 6 HD21 ASN 6 3.087 -3.065 -3.065 56 H HIS 7 HN HIS 7 4.543 -0.303 -0.303 57 HA HIS 7 HA HIS 7 7.430 -0.043 -0.043 58 1HB HIS 7 HB2 HIS 7 6.780 2.457 2.457 59 2HB HIS 7 HB1 HIS 7 6.580 1.600 1.600 60 HD1 HIS 7 HD1 HIS 7 4.622 3.064 3.064 61 HD2 HIS 7 HD2 HIS 7 3.915 1.233 1.233 62 HE1 HIS 7 HE1 HIS 7 2.162 3.402 3.402 63 H LEU 8 HN LEU 8 4.707 -0.262 -0.262 64 HA LEU 8 HA LEU 8 4.878 1.247 1.247 65 1HB LEU 8 HB2 LEU 8 5.118 -1.105 -1.105 66 2HB LEU 8 HB1 LEU 8 3.628 -0.549 -0.549 67 HG LEU 8 HG LEU 8 4.061 -1.853 -1.853 68 1HD1 LEU 8 HD11 LEU 8 6.791 -2.028 -2.028 69 2HD1 LEU 8 HD13 LEU 8 6.242 -3.348 -3.348 70 3HD1 LEU 8 HD12 LEU 8 6.336 -1.717 -1.717 71 1HD2 LEU 8 HD22 LEU 8 3.345 -2.979 -2.979 72 2HD2 LEU 8 HD21 LEU 8 3.791 -4.002 -4.002 73 3HD2 LEU 8 HD23 LEU 8 4.948 -3.710 -3.710 74 H MET 9 HN MET 9 7.778 -0.677 -0.677 75 HA MET 9 HA MET 9 9.025 -0.153 -0.153 76 1HB MET 9 HB2 MET 9 10.138 -0.765 -0.765 77 2HB MET 9 HB1 MET 9 11.212 -0.374 -0.374 78 1HG MET 9 HG2 MET 9 9.100 -2.509 -2.509 79 2HG MET 9 HG1 MET 9 10.672 -2.875 -2.875 80 1HE MET 9 HE3 MET 9 8.995 -3.798 -3.798 81 2HE MET 9 HE2 MET 9 10.447 -4.691 -4.691 82 3HE MET 9 HE1 MET 9 10.269 -4.077 -4.077 83 H TYR 10 HN TYR 10 9.149 1.465 1.465 84 HA TYR 10 HA TYR 10 10.678 3.715 3.715 85 1HB TYR 10 HB2 TYR 10 9.538 4.703 4.703 86 2HB TYR 10 HB1 TYR 10 9.395 2.973 2.973 87 HD1 TYR 10 HD1 TYR 10 7.240 2.664 2.664 88 HD2 TYR 10 HD2 TYR 10 7.574 5.188 5.188 89 HE1 TYR 10 HE1 TYR 10 4.791 2.849 2.849 90 HE2 TYR 10 HE2 TYR 10 5.107 5.363 5.363 91 HH TYR 10 HH TYR 10 3.193 5.095 5.095 92 H ALA 11 HN ALA 11 7.771 2.956 2.956 93 HA ALA 11 HA ALA 11 7.858 5.443 5.443 94 1HB ALA 11 HB1 ALA 11 6.603 5.703 5.703 95 2HB ALA 11 HB3 ALA 11 5.265 5.096 5.096 96 3HB ALA 11 HB2 ALA 11 6.093 6.581 6.581 97 H VAL 12 HN VAL 12 5.922 2.740 2.740 98 HA VAL 12 HA VAL 12 4.999 0.990 0.990 99 HB VAL 12 HB VAL 12 6.644 1.970 1.970 100 1HG1 VAL 12 HG13 VAL 12 4.528 3.574 3.574 101 2HG1 VAL 12 HG12 VAL 12 4.085 2.194 2.194 102 3HG1 VAL 12 HG11 VAL 12 5.622 3.019 3.019 103 1HG2 VAL 12 HG21 VAL 12 5.448 -0.340 -0.340 104 2HG2 VAL 12 HG23 VAL 12 6.115 0.050 0.050 105 3HG2 VAL 12 HG22 VAL 12 4.384 0.218 0.218 106 H ARG 13 HN ARG 13 3.757 3.411 3.411 107 HA ARG 13 HA ARG 13 1.663 4.539 4.539 108 1HB ARG 13 HB2 ARG 13 2.276 4.083 4.083 109 2HB ARG 13 HB1 ARG 13 0.579 3.681 3.681 110 1HG ARG 13 HG2 ARG 13 0.017 5.850 5.850 111 2HG ARG 13 HG1 ARG 13 1.333 6.109 6.109 112 1HD ARG 13 HD2 ARG 13 1.748 7.535 7.535 113 2HD ARG 13 HD1 ARG 13 2.912 6.212 6.212 114 HE ARG 13 HE ARG 13 1.362 5.162 5.162 115 1HH1 ARG 13 HH21 ARG 13 2.435 8.269 8.269 116 2HH1 ARG 13 HH22 ARG 13 1.221 8.830 8.830 117 1HH2 ARG 13 HH11 ARG 13 -0.748 5.994 5.994 118 2HH2 ARG 13 HH12 ARG 13 -0.583 7.544 7.544 119 H GLU 14 HN GLU 14 0.795 3.171 3.171 120 HA GLU 14 HA GLU 14 -1.466 1.607 1.607 121 1HB GLU 14 HB2 GLU 14 0.873 0.221 0.221 122 2HB GLU 14 HB1 GLU 14 0.413 -0.414 -0.414 123 1HG GLU 14 HG2 GLU 14 -1.980 -0.571 -0.571 124 2HG GLU 14 HG1 GLU 14 -1.150 -0.456 -0.456 125 H GLU 15 HN GLU 15 1.214 2.200 2.200 126 HA GLU 15 HA GLU 15 -0.387 1.344 1.344 127 1HB GLU 15 HB2 GLU 15 2.359 2.627 2.627 128 2HB GLU 15 HB1 GLU 15 1.613 1.741 1.741 129 1HG GLU 15 HG2 GLU 15 1.449 -0.199 -0.199 130 2HG GLU 15 HG1 GLU 15 2.752 0.690 0.690 131 H VAL 16 HN VAL 16 -1.380 3.563 3.563 132 HA VAL 16 HA VAL 16 -2.368 5.645 5.645 133 HB VAL 16 HB VAL 16 -1.179 5.349 5.349 134 1HG1 VAL 16 HG11 VAL 16 -2.586 7.457 7.457 135 2HG1 VAL 16 HG13 VAL 16 -3.704 6.711 6.711 136 3HG1 VAL 16 HG12 VAL 16 -2.154 7.335 7.335 137 1HG2 VAL 16 HG22 VAL 16 -2.932 3.607 3.607 138 2HG2 VAL 16 HG21 VAL 16 -2.900 3.958 3.958 139 3HG2 VAL 16 HG23 VAL 16 -4.045 4.794 4.794 140 H GLU 17 HN GLU 17 -1.564 7.518 7.518 141 HA GLU 17 HA GLU 17 1.264 8.010 8.010 142 1HB GLU 17 HB2 GLU 17 -1.218 9.357 9.357 143 2HB GLU 17 HB1 GLU 17 0.101 10.462 10.462 144 1HG GLU 17 HG2 GLU 17 1.090 8.205 8.205 145 2HG GLU 17 HG1 GLU 17 -0.232 8.996 8.996 146 H ILE 18 HN ILE 18 -1.259 9.032 9.032 147 HA ILE 18 HA ILE 18 0.342 11.070 11.070 148 HB ILE 18 HB ILE 18 -2.090 9.529 9.529 149 1HG1 ILE 18 HG12 ILE 18 -2.025 12.429 12.429 150 2HG1 ILE 18 HG11 ILE 18 -2.092 11.206 11.206 151 1HG2 ILE 18 HG22 ILE 18 -0.564 11.857 11.857 152 2HG2 ILE 18 HG21 ILE 18 -2.243 11.523 11.523 153 3HG2 ILE 18 HG23 ILE 18 -0.991 10.332 10.332 154 1HD1 ILE 18 HD13 ILE 18 -3.993 11.127 11.127 155 2HD1 ILE 18 HD12 ILE 18 -4.341 12.107 12.107 156 3HD1 ILE 18 HD11 ILE 18 -4.161 10.359 10.359 157 H LEU 19 HN LEU 19 -0.312 7.630 7.630 158 HA LEU 19 HA LEU 19 1.202 7.539 7.539 159 1HB LEU 19 HB2 LEU 19 0.489 5.334 5.334 160 2HB LEU 19 HB1 LEU 19 1.146 5.075 5.075 161 HG LEU 19 HG LEU 19 -1.473 6.455 6.455 162 1HD1 LEU 19 HD13 LEU 19 -1.102 3.820 3.820 163 2HD1 LEU 19 HD12 LEU 19 -1.219 3.980 3.980 164 3HD1 LEU 19 HD11 LEU 19 -2.554 4.507 4.507 165 1HD2 LEU 19 HD22 LEU 19 0.252 6.503 6.503 166 2HD2 LEU 19 HD21 LEU 19 -1.217 7.426 7.426 167 3HD2 LEU 19 HD23 LEU 19 -1.325 5.814 5.814 168 H LYS 20 HN LYS 20 1.993 7.197 7.197 169 HA LYS 20 HA LYS 20 4.668 6.162 6.162 170 1HB LYS 20 HB2 LYS 20 3.695 5.783 5.783 171 2HB LYS 20 HB1 LYS 20 3.285 7.487 7.487 172 1HG LYS 20 HG2 LYS 20 5.652 8.082 8.082 173 2HG LYS 20 HG1 LYS 20 6.111 6.402 6.402 174 1HD LYS 20 HD2 LYS 20 5.338 5.692 5.692 175 2HD LYS 20 HD1 LYS 20 4.296 7.102 7.102 176 1HE LYS 20 HE2 LYS 20 6.408 7.121 7.121 177 2HE LYS 20 HE1 LYS 20 6.176 8.543 8.543 178 1HZ LYS 20 HZ2 LYS 20 7.680 6.239 6.239 179 2HZ LYS 20 HZ1 LYS 20 8.447 7.330 7.330 180 3HZ LYS 20 HZ3 LYS 20 7.805 7.881 7.881 181 H GLU 21 HN GLU 21 3.224 9.359 9.359 182 HA GLU 21 HA GLU 21 5.788 10.744 10.744 183 1HB GLU 21 HB2 GLU 21 3.506 11.543 11.543 184 2HB GLU 21 HB1 GLU 21 3.149 12.050 12.050 185 1HG GLU 21 HG2 GLU 21 4.178 13.972 13.972 186 2HG GLU 21 HG1 GLU 21 5.602 13.094 13.094 187 H GLN 22 HN GLN 22 3.577 9.448 9.448 188 HA GLN 22 HA GLN 22 4.422 11.157 11.157 189 1HB GLN 22 HB2 GLN 22 2.669 8.731 8.731 190 2HB GLN 22 HB1 GLN 22 3.252 9.186 9.186 191 1HG GLN 22 HG2 GLN 22 2.262 11.492 11.492 192 2HG GLN 22 HG1 GLN 22 1.022 10.250 10.250 193 1HE2 GLN 22 HE22 GLN 22 0.422 11.573 11.573 194 2HE2 GLN 22 HE21 GLN 22 -0.209 11.246 11.246 195 H ILE 23 HN ILE 23 5.173 7.960 7.960 196 HA ILE 23 HA ILE 23 7.002 7.298 7.298 197 HB ILE 23 HB ILE 23 7.650 5.398 5.398 198 1HG1 ILE 23 HG12 ILE 23 5.605 6.597 6.597 199 2HG1 ILE 23 HG11 ILE 23 7.350 6.671 6.671 200 1HG2 ILE 23 HG21 ILE 23 4.718 5.978 5.978 201 2HG2 ILE 23 HG23 ILE 23 5.282 4.424 4.424 202 3HG2 ILE 23 HG22 ILE 23 5.798 4.982 4.982 203 1HD1 ILE 23 HD13 ILE 23 7.313 4.106 4.106 204 2HD1 ILE 23 HD12 ILE 23 5.568 4.233 4.233 205 3HD1 ILE 23 HD11 ILE 23 6.658 4.782 4.782 206 H ARG 24 HN ARG 24 7.158 8.781 8.781 207 HA ARG 24 HA ARG 24 10.055 8.770 8.770 208 1HB ARG 24 HB2 ARG 24 7.782 9.860 9.860 209 2HB ARG 24 HB1 ARG 24 9.191 10.920 10.920 210 1HG ARG 24 HG2 ARG 24 10.477 8.645 8.645 211 2HG ARG 24 HG1 ARG 24 8.900 8.161 8.161 212 1HD ARG 24 HD2 ARG 24 9.053 9.545 9.545 213 2HD ARG 24 HD1 ARG 24 9.747 10.854 10.854 214 HE ARG 24 HE ARG 24 11.643 8.697 8.697 215 1HH1 ARG 24 HH11 ARG 24 11.362 11.929 11.929 216 2HH1 ARG 24 HH12 ARG 24 12.137 12.062 12.062 217 1HH2 ARG 24 HH21 ARG 24 12.129 8.645 8.645 218 2HH2 ARG 24 HH22 ARG 24 12.573 10.202 10.202 219 H GLU 25 HN GLU 25 7.579 11.002 11.002 220 HA GLU 25 HA GLU 25 9.487 13.088 13.088 221 1HB GLU 25 HB2 GLU 25 7.006 13.433 13.433 222 2HB GLU 25 HB1 GLU 25 6.670 12.781 12.781 223 1HG GLU 25 HG2 GLU 25 6.806 15.046 15.046 224 2HG GLU 25 HG1 GLU 25 8.483 14.561 14.561 225 H LEU 26 HN LEU 26 8.209 10.223 10.223 226 HA LEU 26 HA LEU 26 8.884 11.009 11.009 227 1HB LEU 26 HB2 LEU 26 7.776 8.617 8.617 228 2HB LEU 26 HB1 LEU 26 8.744 8.286 8.286 229 HG LEU 26 HG LEU 26 6.540 10.358 10.358 230 1HD1 LEU 26 HD13 LEU 26 5.985 7.777 7.777 231 2HD1 LEU 26 HD12 LEU 26 6.149 7.696 7.696 232 3HD1 LEU 26 HD11 LEU 26 4.960 8.778 8.778 233 1HD2 LEU 26 HD21 LEU 26 8.564 9.569 9.569 234 2HD2 LEU 26 HD23 LEU 26 7.287 10.764 10.764 235 3HD2 LEU 26 HD22 LEU 26 7.002 9.079 9.079 236 H VAL 27 HN VAL 27 10.375 9.300 9.300 237 HA VAL 27 HA VAL 27 12.706 8.485 8.485 238 HB VAL 27 HB VAL 27 13.580 7.634 7.634 239 1HG1 VAL 27 HG13 VAL 27 10.863 7.052 7.052 240 2HG1 VAL 27 HG12 VAL 27 11.118 6.603 6.603 241 3HG1 VAL 27 HG11 VAL 27 12.164 5.942 5.942 242 1HG2 VAL 27 HG21 VAL 27 12.711 9.692 9.692 243 2HG2 VAL 27 HG23 VAL 27 12.624 8.142 8.142 244 3HG2 VAL 27 HG22 VAL 27 11.176 8.832 8.832 245 H GLU 28 HN GLU 28 11.680 11.149 11.149 246 HA GLU 28 HA GLU 28 14.373 12.276 12.276 247 1HB GLU 28 HB2 GLU 28 12.007 12.645 12.645 248 2HB GLU 28 HB1 GLU 28 12.058 14.079 14.079 249 1HG GLU 28 HG2 GLU 28 13.888 14.945 14.945 250 2HG GLU 28 HG1 GLU 28 14.602 13.356 13.356 251 H LYS 29 HN LYS 29 11.635 12.494 12.494 252 HA LYS 29 HA LYS 29 12.651 14.831 14.831 253 1HB LYS 29 HB2 LYS 29 10.255 13.101 13.101 254 2HB LYS 29 HB1 LYS 29 10.812 13.669 13.669 255 1HG LYS 29 HG2 LYS 29 10.977 15.996 15.996 256 2HG LYS 29 HG1 LYS 29 9.875 15.276 15.276 257 1HD LYS 29 HD2 LYS 29 9.370 15.306 15.306 258 2HD LYS 29 HD1 LYS 29 8.709 16.498 16.498 259 1HE LYS 29 HE2 LYS 29 8.307 13.624 13.624 260 2HE LYS 29 HE1 LYS 29 7.363 14.274 14.274 261 1HZ LYS 29 HZ2 LYS 29 7.530 15.532 15.532 262 2HZ LYS 29 HZ1 LYS 29 6.275 14.496 14.496 263 3HZ LYS 29 HZ3 LYS 29 6.505 15.979 15.979 264 H ASN 30 HN ASN 30 12.756 11.332 11.332 265 HA ASN 30 HA ASN 30 13.942 11.315 11.315 266 1HB ASN 30 HB2 ASN 30 12.747 9.332 9.332 267 2HB ASN 30 HB1 ASN 30 13.605 9.211 9.211 268 1HD2 ASN 30 HD22 ASN 30 16.015 7.106 7.106 269 2HD2 ASN 30 HD21 ASN 30 15.045 7.483 7.483 270 H SER 31 HN SER 31 15.034 11.325 11.325 271 HA SER 31 HA SER 31 17.824 10.798 10.798 272 1HB SER 31 HB2 SER 31 16.415 11.946 11.946 273 2HB SER 31 HB1 SER 31 18.165 11.752 11.752 274 HG SER 31 HG SER 31 16.731 9.967 9.967 275 H GLN 32 HN GLN 32 15.801 13.660 13.660 276 HA GLN 32 HA GLN 32 17.994 15.544 15.544 277 1HB GLN 32 HB2 GLN 32 15.085 15.653 15.653 278 2HB GLN 32 HB1 GLN 32 15.694 16.927 16.927 279 1HG GLN 32 HG2 GLN 32 17.356 17.559 17.559 280 2HG GLN 32 HG1 GLN 32 16.752 16.284 16.284 281 1HE2 GLN 32 HE22 GLN 32 14.940 19.827 19.827 282 2HE2 GLN 32 HE21 GLN 32 16.487 19.564 19.564 283 H LEU 33 HN LEU 33 15.748 13.963 13.963 284 HA LEU 33 HA LEU 33 16.510 15.654 15.654 285 1HB LEU 33 HB2 LEU 33 14.334 14.051 14.051 286 2HB LEU 33 HB1 LEU 33 15.288 13.033 13.033 287 HG LEU 33 HG LEU 33 15.504 15.047 15.047 288 1HD1 LEU 33 HD13 LEU 33 13.368 16.094 16.094 289 2HD1 LEU 33 HD12 LEU 33 13.777 16.819 16.819 290 3HD1 LEU 33 HD11 LEU 33 14.968 16.789 16.789 291 1HD2 LEU 33 HD21 LEU 33 13.278 13.271 13.271 292 2HD2 LEU 33 HD23 LEU 33 13.878 13.923 13.923 293 3HD2 LEU 33 HD22 LEU 33 12.680 14.821 14.821 294 H GLU 34 HN GLU 34 17.588 12.737 12.737 295 HA GLU 34 HA GLU 34 19.161 11.818 11.818 296 1HB GLU 34 HB2 GLU 34 18.387 10.154 10.154 297 2HB GLU 34 HB1 GLU 34 19.176 11.018 11.018 298 1HG GLU 34 HG2 GLU 34 21.210 10.149 10.149 299 2HG GLU 34 HG1 GLU 34 20.984 10.388 10.388 300 H ARG 35 HN ARG 35 19.554 13.806 13.806 301 HA ARG 35 HA ARG 35 22.459 14.005 14.005 302 1HB ARG 35 HB2 ARG 35 20.559 14.633 14.633 303 2HB ARG 35 HB1 ARG 35 21.128 16.205 16.205 304 1HG ARG 35 HG2 ARG 35 23.505 15.230 15.230 305 2HG ARG 35 HG1 ARG 35 22.740 13.948 13.948 306 1HD ARG 35 HD2 ARG 35 21.921 16.692 16.692 307 2HD ARG 35 HD1 ARG 35 23.606 16.299 16.299 308 HE ARG 35 HE ARG 35 21.582 14.347 14.347 309 1HH1 ARG 35 HH11 ARG 35 24.564 15.460 15.460 310 2HH1 ARG 35 HH12 ARG 35 24.271 15.824 15.824 311 1HH2 ARG 35 HH21 ARG 35 20.832 15.455 15.455 312 2HH2 ARG 35 HH22 ARG 35 22.156 15.820 15.820 313 H GLU 36 HN GLU 36 19.654 15.989 15.989 314 HA GLU 36 HA GLU 36 21.289 18.101 18.101 315 1HB GLU 36 HB2 GLU 36 18.466 17.610 17.610 316 2HB GLU 36 HB1 GLU 36 18.730 18.212 18.212 317 1HG GLU 36 HG2 GLU 36 20.365 19.640 19.640 318 2HG GLU 36 HG1 GLU 36 18.648 19.756 19.756 319 H ASN 37 HN ASN 37 19.874 15.105 15.105 320 HA ASN 37 HA ASN 37 20.233 15.647 15.647 321 1HB ASN 37 HB2 ASN 37 18.547 14.034 14.034 322 2HB ASN 37 HB1 ASN 37 19.663 13.130 13.130 323 1HD2 ASN 37 HD22 ASN 37 20.070 12.800 12.800 324 2HD2 ASN 37 HD21 ASN 37 19.397 14.216 14.216 325 H THR 38 HN THR 38 22.059 14.191 14.191 326 HA THR 38 HA THR 38 24.154 13.131 13.131 327 HB THR 38 HB THR 38 24.105 13.655 13.655 328 HG1 THR 38 HG1 THR 38 22.791 11.939 11.939 329 1HG2 THR 38 HG21 THR 38 26.091 12.219 12.219 330 2HG2 THR 38 HG23 THR 38 26.049 12.038 12.038 331 3HG2 THR 38 HG22 THR 38 26.397 13.612 13.612 332 H LEU 39 HN LEU 39 23.496 16.110 16.110 333 HA LEU 39 HA LEU 39 26.180 17.187 17.187 334 1HB LEU 39 HB2 LEU 39 24.788 17.969 17.969 335 2HB LEU 39 HB1 LEU 39 23.578 18.566 18.566 336 HG LEU 39 HG LEU 39 25.481 19.961 19.961 337 1HD1 LEU 39 HD12 LEU 39 26.742 18.945 18.945 338 2HD1 LEU 39 HD11 LEU 39 27.215 20.501 20.501 339 3HD1 LEU 39 HD13 LEU 39 27.435 19.025 19.025 340 1HD2 LEU 39 HD23 LEU 39 23.606 20.757 20.757 341 2HD2 LEU 39 HD22 LEU 39 25.052 21.764 21.764 342 3HD2 LEU 39 HD21 LEU 39 24.791 20.665 20.665 343 H LEU 40 HN LEU 40 23.101 17.244 17.244 344 HA LEU 40 HA LEU 40 23.951 19.302 19.302 345 1HB LEU 40 HB2 LEU 40 21.553 17.557 17.557 346 2HB LEU 40 HB1 LEU 40 21.867 18.169 18.169 347 HG LEU 40 HG LEU 40 21.925 20.015 20.015 348 1HD1 LEU 40 HD12 LEU 40 19.712 18.624 18.624 349 2HD1 LEU 40 HD11 LEU 40 19.474 19.704 19.704 350 3HD1 LEU 40 HD13 LEU 40 19.619 20.368 20.368 351 1HD2 LEU 40 HD21 LEU 40 22.849 20.737 20.737 352 2HD2 LEU 40 HD23 LEU 40 21.460 21.700 21.700 353 3HD2 LEU 40 HD22 LEU 40 21.265 20.445 20.445 354 H LYS 41 HN LYS 41 23.965 15.800 15.800 355 HA LYS 41 HA LYS 41 24.678 15.364 15.364 356 1HB LYS 41 HB2 LYS 41 23.661 13.512 13.512 357 2HB LYS 41 HB1 LYS 41 24.748 13.638 13.638 358 1HG LYS 41 HG2 LYS 41 25.501 11.777 11.777 359 2HG LYS 41 HG1 LYS 41 26.656 13.087 13.087 360 1HD LYS 41 HD2 LYS 41 25.417 13.730 13.730 361 2HD LYS 41 HD1 LYS 41 24.398 12.305 12.305 362 1HE LYS 41 HE2 LYS 41 27.403 12.063 12.063 363 2HE LYS 41 HE1 LYS 41 26.467 12.088 12.088 364 1HZ LYS 41 HZ1 LYS 41 25.078 10.283 10.283 365 2HZ LYS 41 HZ3 LYS 41 26.368 10.124 10.124 366 3HZ LYS 41 HZ2 LYS 41 26.619 9.849 9.849 367 H THR 42 HN THR 42 26.417 15.721 15.721 368 HA THR 42 HA THR 42 29.025 15.201 15.201 369 HB THR 42 HB THR 42 28.334 16.560 16.560 370 HG1 THR 42 HG1 THR 42 29.107 13.881 13.881 371 1HG2 THR 42 HG22 THR 42 30.826 16.036 16.036 372 2HG2 THR 42 HG21 THR 42 30.784 15.210 15.210 373 3HG2 THR 42 HG23 THR 42 30.548 16.956 16.956 374 H LEU 43 HN LEU 43 26.989 17.982 17.982 375 HA LEU 43 HA LEU 43 28.993 20.003 20.003 376 1HB LEU 43 HB2 LEU 43 26.820 20.432 20.432 377 2HB LEU 43 HB1 LEU 43 25.982 20.174 20.174 378 HG LEU 43 HG LEU 43 27.936 22.003 22.003 379 1HD1 LEU 43 HD11 LEU 43 27.252 22.254 22.254 380 2HD1 LEU 43 HD13 LEU 43 27.198 23.749 23.749 381 3HD1 LEU 43 HD12 LEU 43 28.685 22.804 22.804 382 1HD2 LEU 43 HD22 LEU 43 25.106 21.815 21.815 383 2HD2 LEU 43 HD21 LEU 43 26.056 22.960 22.960 384 3HD2 LEU 43 HD23 LEU 43 25.549 23.376 23.376 385 H ALA 44 HN ALA 44 26.627 18.295 18.295 386 HA ALA 44 HA ALA 44 27.626 19.695 19.695 387 1HB ALA 44 HB3 ALA 44 25.216 18.107 18.107 388 2HB ALA 44 HB2 ALA 44 25.818 17.903 17.903 389 3HB ALA 44 HB1 ALA 44 25.373 19.506 19.506 390 H SER 45 HN SER 45 28.848 17.384 17.384 391 HA SER 45 HA SER 45 29.180 15.144 15.144 392 1HB SER 45 HB2 SER 45 29.661 14.582 14.582 393 2HB SER 45 HB1 SER 45 30.487 16.103 16.103 394 HG SER 45 HG SER 45 31.799 14.105 14.105 395 HA PRO 46 HA PRO 46 33.333 17.235 17.235 396 1HB PRO 46 HB2 PRO 46 33.610 19.900 19.900 397 2HB PRO 46 HB1 PRO 46 34.127 18.580 18.580 398 1HG PRO 46 HG2 PRO 46 31.763 20.375 20.375 399 2HG PRO 46 HG1 PRO 46 32.649 19.500 19.500 400 1HD PRO 46 HD2 PRO 46 30.165 18.743 18.743 401 2HD PRO 46 HD1 PRO 46 31.198 17.732 17.732 402 H GLU 47 HN GLU 47 30.408 17.725 17.725 403 HA GLU 47 HA GLU 47 31.103 18.757 18.757 404 1HB GLU 47 HB2 GLU 47 30.976 20.807 20.807 405 2HB GLU 47 HB1 GLU 47 29.364 20.830 20.830 406 1HG GLU 47 HG2 GLU 47 31.439 20.465 20.465 407 2HG GLU 47 HG1 GLU 47 31.665 21.958 21.958 408 H GLN 48 HN GLN 48 29.768 16.816 16.816 409 HA GLN 48 HA GLN 48 27.145 17.251 17.251 410 1HB GLN 48 HB2 GLN 48 26.998 17.490 17.490 411 2HB GLN 48 HB1 GLN 48 26.860 15.742 15.742 412 1HG GLN 48 HG2 GLN 48 24.633 16.365 16.365 413 2HG GLN 48 HG1 GLN 48 25.115 16.342 16.342 414 1HE2 GLN 48 HE22 GLN 48 24.394 19.748 19.748 415 2HE2 GLN 48 HE21 GLN 48 24.618 18.217 18.217 416 H LEU 49 HN LEU 49 29.348 15.875 15.875 417 HA LEU 49 HA LEU 49 29.002 13.071 13.071 418 1HB LEU 49 HB2 LEU 49 30.896 13.878 13.878 419 2HB LEU 49 HB1 LEU 49 31.092 12.712 12.712 420 HG LEU 49 HG LEU 49 30.863 15.017 15.017 421 1HD1 LEU 49 HD11 LEU 49 32.014 15.683 15.683 422 2HD1 LEU 49 HD13 LEU 49 32.671 16.470 16.470 423 3HD1 LEU 49 HD12 LEU 49 30.966 16.658 16.658 424 1HD2 LEU 49 HD23 LEU 49 32.608 13.151 13.151 425 2HD2 LEU 49 HD22 LEU 49 33.190 14.769 14.769 426 3HD2 LEU 49 HD21 LEU 49 33.481 14.092 14.092 427 H GLU 50 HN GLU 50 29.943 12.414 12.414 428 HA GLU 50 HA GLU 50 27.219 12.062 12.062 429 1HB GLU 50 HB2 GLU 50 29.550 11.116 11.116 430 2HB GLU 50 HB1 GLU 50 28.071 10.260 10.260 431 1HG GLU 50 HG2 GLU 50 28.972 10.046 10.046 432 2HG GLU 50 HG1 GLU 50 30.497 10.713 10.713 433 H LYS 51 HN LYS 51 30.375 12.896 12.896 434 HA LYS 51 HA LYS 51 29.687 15.499 15.499 435 1HB LYS 51 HB2 LYS 51 29.275 13.311 13.311 436 2HB LYS 51 HB1 LYS 51 30.058 14.776 14.776 437 1HG LYS 51 HG2 LYS 51 27.290 14.524 14.524 438 2HG LYS 51 HG1 LYS 51 27.714 15.081 15.081 439 1HD LYS 51 HD2 LYS 51 27.715 17.177 17.177 440 2HD LYS 51 HD1 LYS 51 29.166 16.752 16.752 441 1HE LYS 51 HE2 LYS 51 26.644 15.825 15.825 442 2HE LYS 51 HE1 LYS 51 26.815 17.576 17.576 443 1HZ LYS 51 HZ1 LYS 51 29.180 17.061 17.061 444 2HZ LYS 51 HZ3 LYS 51 28.474 15.612 15.612 445 3HZ LYS 51 HZ2 LYS 51 27.853 17.091 17.091 446 H PHE 52 HN PHE 52 31.497 16.501 16.501 447 HA PHE 52 HA PHE 52 34.019 15.037 15.037 448 1HB PHE 52 HB2 PHE 52 34.518 16.705 16.705 449 2HB PHE 52 HB1 PHE 52 34.371 14.940 14.940 450 HD1 PHE 52 HD1 PHE 52 32.021 13.910 13.910 451 HD2 PHE 52 HD2 PHE 52 32.721 18.078 18.078 452 HE1 PHE 52 HE1 PHE 52 29.834 14.158 14.158 453 HE2 PHE 52 HE2 PHE 52 30.507 18.239 18.239 454 HZ PHE 52 HZ PHE 52 29.049 16.278 16.278 455 H GLN 53 HN GLN 53 33.213 18.152 18.152 456 HA GLN 53 HA GLN 53 34.908 19.591 19.591 457 1HB GLN 53 HB2 GLN 53 33.218 20.368 20.368 458 2HB GLN 53 HB1 GLN 53 34.029 21.571 21.571 459 1HG GLN 53 HG2 GLN 53 35.671 21.212 21.212 460 2HG GLN 53 HG1 GLN 53 36.127 19.980 19.980 461 1HE2 GLN 53 HE22 GLN 53 34.050 18.695 18.695 462 2HE2 GLN 53 HE21 GLN 53 33.715 20.233 20.233 463 H SER 54 HN SER 54 31.960 18.260 18.260 464 HA SER 54 HA SER 54 30.023 18.773 18.773 465 1HB SER 54 HB2 SER 54 31.882 20.620 20.620 466 2HB SER 54 HB1 SER 54 30.443 19.810 19.810 467 HG SER 54 HG SER 54 31.797 17.853 17.853 468 H ARG 55 HN ARG 55 29.600 20.027 20.027 469 HA ARG 55 HA ARG 55 28.221 22.426 22.426 470 1HB ARG 55 HB2 ARG 55 29.889 24.031 24.031 471 2HB ARG 55 HB1 ARG 55 30.271 23.520 23.520 472 1HG ARG 55 HG2 ARG 55 32.283 22.878 22.878 473 2HG ARG 55 HG1 ARG 55 31.422 21.520 21.520 474 1HD ARG 55 HD2 ARG 55 31.970 22.339 22.339 475 2HD ARG 55 HD1 ARG 55 30.982 23.759 23.759 476 HE ARG 55 HE ARG 55 33.915 23.597 23.597 477 1HH1 ARG 55 HH21 ARG 55 32.111 24.932 24.932 478 2HH1 ARG 55 HH22 ARG 55 32.372 26.594 26.594 479 1HH2 ARG 55 HH11 ARG 55 33.768 25.890 25.890 480 2HH2 ARG 55 HH12 ARG 55 33.309 27.136 27.136 481 H LEU 56 HN LEU 56 27.919 20.130 20.130 482 HA LEU 56 HA LEU 56 27.630 21.589 21.589 483 1HB LEU 56 HB2 LEU 56 28.842 18.823 18.823 484 2HB LEU 56 HB1 LEU 56 28.561 19.723 19.723 485 HG LEU 56 HG LEU 56 30.050 21.545 21.545 486 1HD1 LEU 56 HD11 LEU 56 30.337 19.043 19.043 487 2HD1 LEU 56 HD13 LEU 56 31.881 19.648 19.648 488 3HD1 LEU 56 HD12 LEU 56 30.867 20.661 20.661 489 1HD2 LEU 56 HD23 LEU 56 30.394 19.698 19.698 490 2HD2 LEU 56 HD22 LEU 56 31.464 21.050 21.050 491 3HD2 LEU 56 HD21 LEU 56 31.800 19.450 19.450 492 H SER 57 HN SER 57 27.220 18.262 18.262 493 HA SER 57 HA SER 57 24.433 18.412 18.412 494 1HB SER 57 HB2 SER 57 25.192 16.515 16.515 495 2HB SER 57 HB1 SER 57 26.534 16.350 16.350 496 HG SER 57 HG SER 57 23.833 15.530 15.530 497 HA PRO 58 HA PRO 58 23.384 18.364 18.364 498 1HB PRO 58 HB2 PRO 58 20.731 18.871 18.871 499 2HB PRO 58 HB1 PRO 58 21.996 20.102 20.102 500 1HG PRO 58 HG2 PRO 58 20.505 19.027 19.027 501 2HG PRO 58 HG1 PRO 58 21.248 20.621 20.621 502 1HD PRO 58 HD2 PRO 58 22.354 18.482 18.482 503 2HD PRO 58 HD1 PRO 58 23.230 19.931 19.931 504 H GLU 59 HN GLU 59 23.813 16.157 16.157 505 HA GLU 59 HA GLU 59 21.884 14.417 14.417 506 1HB GLU 59 HB2 GLU 59 21.533 14.829 14.829 507 2HB GLU 59 HB1 GLU 59 21.991 13.153 13.153 508 1HG GLU 59 HG2 GLU 59 20.214 13.022 13.022 509 2HG GLU 59 HG1 GLU 59 19.703 14.649 14.649 510 H GLU 60 HN GLU 60 22.588 12.051 12.051 511 HA GLU 60 HA GLU 60 24.962 11.143 11.143 512 1HB GLU 60 HB2 GLU 60 25.587 13.131 13.131 513 2HB GLU 60 HB1 GLU 60 25.922 11.613 11.613 514 1HG GLU 60 HG2 GLU 60 26.849 11.900 11.900 515 2HG GLU 60 HG1 GLU 60 27.759 12.726 12.726 516 HA PRO 61 HA PRO 61 23.962 8.415 8.415 517 1HB PRO 61 HB2 PRO 61 22.212 9.412 9.412 518 2HB PRO 61 HB1 PRO 61 23.969 9.636 9.636 519 1HG PRO 61 HG2 PRO 61 21.858 11.604 11.604 520 2HG PRO 61 HG1 PRO 61 23.463 11.891 11.891 521 1HD PRO 61 HD2 PRO 61 22.749 12.225 12.225 522 2HD PRO 61 HD1 PRO 61 24.403 12.177 12.177 523 H ALA 62 HN ALA 62 22.034 7.043 7.043 524 HA ALA 62 HA ALA 62 19.370 7.405 7.405 525 1HB ALA 62 HB1 ALA 62 20.923 7.456 7.456 526 2HB ALA 62 HB3 ALA 62 19.766 6.126 6.126 527 3HB ALA 62 HB2 ALA 62 19.206 7.779 7.779 528 HA PRO 63 HA PRO 63 20.415 2.767 2.767 529 1HB PRO 63 HB2 PRO 63 23.045 2.096 2.096 530 2HB PRO 63 HB1 PRO 63 21.900 2.437 2.437 531 1HG PRO 63 HG2 PRO 63 24.135 4.117 4.117 532 2HG PRO 63 HG1 PRO 63 23.360 4.125 4.125 533 1HD PRO 63 HD2 PRO 63 22.905 5.979 5.979 534 2HD PRO 63 HD1 PRO 63 21.968 5.837 5.837 535 H GLU 64 HN GLU 64 21.277 1.146 1.146 536 HA GLU 64 HA GLU 64 21.662 0.688 0.688 537 1HB GLU 64 HB2 GLU 64 23.992 1.108 1.108 538 2HB GLU 64 HB1 GLU 64 23.928 0.536 0.536 539 1HG GLU 64 HG2 GLU 64 24.143 2.812 2.812 540 2HG GLU 64 HG1 GLU 64 24.068 3.457 3.457 541 H THR 65 HN THR 65 20.006 2.879 2.879 542 HA THR 65 HA THR 65 20.369 4.234 4.234 543 HB THR 65 HB THR 65 21.975 5.592 5.592 544 HG1 THR 65 HG1 THR 65 21.055 7.496 7.496 545 1HG2 THR 65 HG22 THR 65 20.433 4.931 4.931 546 2HG2 THR 65 HG21 THR 65 20.211 6.671 6.671 547 3HG2 THR 65 HG23 THR 65 21.835 6.001 6.001 548 HA PRO 66 HA PRO 66 16.044 4.584 4.584 549 1HB PRO 66 HB2 PRO 66 15.470 6.365 6.365 550 2HB PRO 66 HB1 PRO 66 15.819 4.650 4.650 551 1HG PRO 66 HG2 PRO 66 17.553 7.024 7.024 552 2HG PRO 66 HG1 PRO 66 17.559 5.440 5.440 553 1HD PRO 66 HD2 PRO 66 19.384 6.299 6.299 554 2HD PRO 66 HD1 PRO 66 19.158 4.627 4.627 555 H GLU 67 HN GLU 67 14.858 5.828 5.828 556 HA GLU 67 HA GLU 67 15.390 8.753 8.753 557 1HB GLU 67 HB2 GLU 67 16.122 6.800 6.800 558 2HB GLU 67 HB1 GLU 67 14.944 7.941 7.941 559 1HG GLU 67 HG2 GLU 67 17.484 8.729 8.729 560 2HG GLU 67 HG1 GLU 67 17.290 8.733 8.733 561 H ALA 68 HN ALA 68 13.203 7.742 7.742 562 HA ALA 68 HA ALA 68 11.007 9.018 9.018 563 1HB ALA 68 HB1 ALA 68 11.576 6.510 6.510 564 2HB ALA 68 HB3 ALA 68 9.923 6.615 6.615 565 3HB ALA 68 HB2 ALA 68 10.548 7.861 7.861 566 HA PRO 69 HA PRO 69 10.097 7.177 7.177 567 1HB PRO 69 HB2 PRO 69 8.446 9.227 9.227 568 2HB PRO 69 HB1 PRO 69 10.212 9.284 9.284 569 1HG PRO 69 HG2 PRO 69 8.435 10.667 10.667 570 2HG PRO 69 HG1 PRO 69 10.030 11.150 11.150 571 1HD PRO 69 HD2 PRO 69 9.514 9.961 9.961 572 2HD PRO 69 HD1 PRO 69 11.106 10.108 10.108 573 H GLU 70 HN GLU 70 7.646 7.296 7.296 574 HA GLU 70 HA GLU 70 6.007 5.696 5.696 575 1HB GLU 70 HB2 GLU 70 4.520 5.449 5.449 576 2HB GLU 70 HB1 GLU 70 6.165 5.382 5.382 577 1HG GLU 70 HG2 GLU 70 5.762 8.037 8.037 578 2HG GLU 70 HG1 GLU 70 4.093 7.492 7.492 579 H ALA 71 HN ALA 71 6.080 9.045 9.045 580 HA ALA 71 HA ALA 71 4.566 10.054 10.054 581 1HB ALA 71 HB1 ALA 71 2.903 9.115 9.115 582 2HB ALA 71 HB3 ALA 71 2.392 10.521 10.521 583 3HB ALA 71 HB2 ALA 71 2.584 8.958 8.958 584 HA PRO 72 HA PRO 72 6.360 13.294 13.294 585 1HB PRO 72 HB2 PRO 72 6.832 14.988 14.988 586 2HB PRO 72 HB1 PRO 72 7.925 13.676 13.676 587 1HG PRO 72 HG2 PRO 72 6.046 13.819 13.819 588 2HG PRO 72 HG1 PRO 72 7.549 12.897 12.897 589 1HD PRO 72 HD2 PRO 72 4.936 11.849 11.849 590 2HD PRO 72 HD1 PRO 72 6.434 11.040 11.040 591 H GLY 73 HN GLY 73 4.161 13.649 13.649 592 1HA GLY 73 HA2 GLY 73 2.161 14.862 14.862 593 2HA GLY 73 HA1 GLY 73 3.131 16.215 16.215 594 H GLY 74 HN GLY 74 2.791 16.964 16.964 595 1HA GLY 74 HA2 GLY 74 1.674 17.242 17.242 596 2HA GLY 74 HA1 GLY 74 1.627 15.480 15.480 597 H SER 75 HN SER 75 -0.265 14.400 14.400 598 HA SER 75 HA SER 75 -2.423 15.801 15.801 599 1HB SER 75 HB2 SER 75 -3.787 15.041 15.041 600 2HB SER 75 HB1 SER 75 -3.377 16.690 16.690 601 HG SER 75 HG SER 75 -2.123 14.947 14.947 602 H ALA 76 HN ALA 76 -3.174 14.191 14.191 603 HA ALA 76 HA ALA 76 -2.972 11.385 11.385 604 1HB ALA 76 HB1 ALA 76 -3.063 12.764 12.764 605 2HB ALA 76 HB3 ALA 76 -4.173 11.394 11.394 606 3HB ALA 76 HB2 ALA 76 -2.456 11.153 11.153 607 H VAL 77 HN VAL 77 -5.536 13.225 13.225 608 HA VAL 77 HA VAL 77 -7.513 11.718 11.718 609 HB VAL 77 HB VAL 77 -8.093 13.112 13.112 610 1HG1 VAL 77 HG12 VAL 77 -9.538 11.394 11.394 611 2HG1 VAL 77 HG11 VAL 77 -9.735 10.934 10.934 612 3HG1 VAL 77 HG13 VAL 77 -10.168 12.561 12.561 613 1HG2 VAL 77 HG22 VAL 77 -6.399 10.868 10.868 614 2HG2 VAL 77 HG21 VAL 77 -7.047 11.473 11.473 615 3HG2 VAL 77 HG23 VAL 77 -7.928 10.244 10.244 616 1H ACE 0 HA1 ACE 0 7.993 -10.017 -10.017 617 2H ACE 0 HA2 ACE 0 8.226 -8.978 -8.978 618 3H ACE 0 HA3 ACE 0 6.797 -8.781 -8.781 619 H MET 1 HN MET 1 8.289 -11.741 -11.741 620 HA MET 1 HA MET 1 7.395 -13.352 -13.352 621 1HB MET 1 HB2 MET 1 6.293 -10.865 -10.865 622 2HB MET 1 HB1 MET 1 5.003 -12.067 -12.067 623 1HG MET 1 HG2 MET 1 6.165 -12.117 -12.117 624 2HG MET 1 HG1 MET 1 6.536 -13.599 -13.599 625 1HE MET 1 HE2 MET 1 7.700 -10.667 -10.667 626 2HE MET 1 HE1 MET 1 9.256 -10.168 -10.168 627 3HE MET 1 HE3 MET 1 7.768 -9.841 -9.841 628 H ASP 2 HN ASP 2 5.042 -14.445 -14.445 629 HA ASP 2 HA ASP 2 3.175 -14.156 -14.156 630 1HB ASP 2 HB2 ASP 2 3.689 -16.666 -16.666 631 2HB ASP 2 HB1 ASP 2 4.586 -15.333 -15.333 632 H LEU 3 HN LEU 3 4.400 -16.796 -16.796 633 HA LEU 3 HA LEU 3 1.820 -17.892 -17.892 634 1HB LEU 3 HB2 LEU 3 2.903 -19.068 -19.068 635 2HB LEU 3 HB1 LEU 3 3.946 -19.097 -19.097 636 HG LEU 3 HG LEU 3 4.495 -16.711 -16.711 637 1HD1 LEU 3 HD11 LEU 3 3.950 -19.127 -19.127 638 2HD1 LEU 3 HD13 LEU 3 5.539 -18.421 -18.421 639 3HD1 LEU 3 HD12 LEU 3 4.086 -17.446 -17.446 640 1HD2 LEU 3 HD23 LEU 3 5.832 -18.752 -18.752 641 2HD2 LEU 3 HD22 LEU 3 6.543 -17.285 -17.285 642 3HD2 LEU 3 HD21 LEU 3 6.520 -18.769 -18.769 643 H VAL 4 HN VAL 4 3.427 -15.095 -15.095 644 HA VAL 4 HA VAL 4 1.912 -14.951 -14.951 645 HB VAL 4 HB VAL 4 4.031 -13.703 -13.703 646 1HG1 VAL 4 HG11 VAL 4 3.129 -13.107 -13.107 647 2HG1 VAL 4 HG13 VAL 4 2.559 -11.661 -11.661 648 3HG1 VAL 4 HG12 VAL 4 4.276 -12.062 -12.062 649 1HG2 VAL 4 HG23 VAL 4 1.487 -12.230 -12.230 650 2HG2 VAL 4 HG22 VAL 4 2.730 -12.833 -12.833 651 3HG2 VAL 4 HG21 VAL 4 3.050 -11.419 -11.419 652 H LYS 5 HN LYS 5 1.342 -13.978 -13.978 653 HA LYS 5 HA LYS 5 -1.065 -12.436 -12.436 654 1HB LYS 5 HB2 LYS 5 0.600 -11.957 -11.957 655 2HB LYS 5 HB1 LYS 5 -0.332 -13.194 -13.194 656 1HG LYS 5 HG2 LYS 5 -2.189 -11.877 -11.877 657 2HG LYS 5 HG1 LYS 5 -1.929 -11.142 -11.142 658 1HD LYS 5 HD2 LYS 5 -1.278 -9.310 -9.310 659 2HD LYS 5 HD1 LYS 5 0.224 -10.197 -10.197 660 1HE LYS 5 HE2 LYS 5 -2.000 -10.861 -10.861 661 2HE LYS 5 HE1 LYS 5 -1.319 -9.244 -9.244 662 1HZ LYS 5 HZ3 LYS 5 0.905 -10.311 -10.311 663 2HZ LYS 5 HZ2 LYS 5 0.137 -11.826 -11.826 664 3HZ LYS 5 HZ1 LYS 5 -0.089 -10.714 -10.714 665 H ASN 6 HN ASN 6 -0.822 -15.374 -15.374 666 HA ASN 6 HA ASN 6 -3.095 -16.360 -16.360 667 1HB ASN 6 HB2 ASN 6 -0.591 -17.507 -17.507 668 2HB ASN 6 HB1 ASN 6 -1.706 -18.376 -18.376 669 1HD2 ASN 6 HD22 ASN 6 -2.837 -18.438 -18.438 670 2HD2 ASN 6 HD21 ASN 6 -2.429 -16.961 -16.961 671 H HIS 7 HN HIS 7 -1.671 -16.885 -16.885 672 HA HIS 7 HA HIS 7 -4.304 -17.520 -17.520 673 1HB HIS 7 HB2 HIS 7 -2.907 -17.442 -17.442 674 2HB HIS 7 HB1 HIS 7 -2.611 -18.753 -18.753 675 HD1 HIS 7 HD1 HIS 7 -0.133 -19.056 -19.056 676 HD2 HIS 7 HD2 HIS 7 -1.089 -15.179 -15.179 677 HE1 HIS 7 HE1 HIS 7 2.070 -17.851 -17.851 678 H LEU 8 HN LEU 8 -2.566 -14.701 -14.701 679 HA LEU 8 HA LEU 8 -2.789 -12.817 -12.817 680 1HB LEU 8 HB2 LEU 8 -4.166 -11.431 -11.431 681 2HB LEU 8 HB1 LEU 8 -2.445 -11.788 -11.788 682 HG LEU 8 HG LEU 8 -2.860 -13.690 -13.690 683 1HD1 LEU 8 HD13 LEU 8 -5.677 -13.287 -13.287 684 2HD1 LEU 8 HD12 LEU 8 -5.386 -14.084 -14.084 685 3HD1 LEU 8 HD11 LEU 8 -4.734 -14.770 -14.770 686 1HD2 LEU 8 HD21 LEU 8 -3.616 -11.073 -11.073 687 2HD2 LEU 8 HD23 LEU 8 -3.223 -12.386 -12.386 688 3HD2 LEU 8 HD22 LEU 8 -4.898 -12.104 -12.104 689 H MET 9 HN MET 9 -5.795 -14.523 -14.523 690 HA MET 9 HA MET 9 -7.431 -12.507 -12.507 691 1HB MET 9 HB2 MET 9 -8.045 -15.468 -15.468 692 2HB MET 9 HB1 MET 9 -9.221 -14.207 -14.207 693 1HG MET 9 HG2 MET 9 -7.700 -13.365 -13.365 694 2HG MET 9 HG1 MET 9 -8.270 -15.009 -15.009 695 1HE MET 9 HE3 MET 9 -8.975 -11.860 -11.860 696 2HE MET 9 HE2 MET 9 -10.390 -11.169 -11.169 697 3HE MET 9 HE1 MET 9 -10.595 -12.223 -12.223 698 H TYR 10 HN TYR 10 -6.109 -15.656 -15.656 699 HA TYR 10 HA TYR 10 -6.830 -16.021 -16.021 700 1HB TYR 10 HB2 TYR 10 -4.872 -17.346 -17.346 701 2HB TYR 10 HB1 TYR 10 -5.235 -17.389 -17.389 702 HD1 TYR 10 HD2 TYR 10 -4.244 -14.396 -14.396 703 HD2 TYR 10 HD1 TYR 10 -2.484 -17.869 -17.869 704 HE1 TYR 10 HE2 TYR 10 -2.016 -13.495 -13.495 705 HE2 TYR 10 HE1 TYR 10 -0.239 -16.975 -16.975 706 HH TYR 10 HH TYR 10 0.555 -14.132 -14.132 707 H ALA 11 HN ALA 11 -5.012 -13.321 -13.321 708 HA ALA 11 HA ALA 11 -4.703 -12.251 -12.251 709 1HB ALA 11 HB2 ALA 11 -2.753 -13.921 -13.921 710 2HB ALA 11 HB1 ALA 11 -2.200 -12.618 -12.618 711 3HB ALA 11 HB3 ALA 11 -2.345 -12.348 -12.348 712 H VAL 12 HN VAL 12 -3.727 -12.161 -12.161 713 HA VAL 12 HA VAL 12 -3.761 -10.501 -10.501 714 HB VAL 12 HB VAL 12 -5.340 -8.866 -8.866 715 1HG1 VAL 12 HG13 VAL 12 -6.055 -10.988 -10.988 716 2HG1 VAL 12 HG12 VAL 12 -6.282 -9.655 -9.655 717 3HG1 VAL 12 HG11 VAL 12 -7.127 -9.653 -9.653 718 1HG2 VAL 12 HG22 VAL 12 -3.966 -8.204 -8.204 719 2HG2 VAL 12 HG21 VAL 12 -4.317 -7.161 -7.161 720 3HG2 VAL 12 HG23 VAL 12 -5.602 -7.595 -7.595 721 H ARG 13 HN ARG 13 -1.722 -11.126 -11.126 722 HA ARG 13 HA ARG 13 -0.247 -8.986 -8.986 723 1HB ARG 13 HB2 ARG 13 0.321 -11.732 -11.732 724 2HB ARG 13 HB1 ARG 13 1.711 -10.660 -10.660 725 1HG ARG 13 HG2 ARG 13 1.350 -10.355 -10.355 726 2HG ARG 13 HG1 ARG 13 -0.287 -10.998 -10.998 727 1HD ARG 13 HD2 ARG 13 0.466 -13.092 -13.092 728 2HD ARG 13 HD1 ARG 13 1.581 -12.946 -12.946 729 HE ARG 13 HE ARG 13 2.231 -12.309 -12.309 730 1HH1 ARG 13 HH11 ARG 13 3.738 -10.515 -10.515 731 2HH1 ARG 13 HH12 ARG 13 5.157 -11.442 -11.442 732 1HH2 ARG 13 HH21 ARG 13 3.804 -14.440 -14.440 733 2HH2 ARG 13 HH22 ARG 13 5.195 -13.660 -13.660 734 H GLU 14 HN GLU 14 -0.881 -9.751 -9.751 735 HA GLU 14 HA GLU 14 1.467 -8.762 -8.762 736 1HB GLU 14 HB2 GLU 14 -0.228 -9.997 -9.997 737 2HB GLU 14 HB1 GLU 14 -1.398 -8.703 -8.703 738 1HG GLU 14 HG2 GLU 14 -0.398 -8.503 -8.503 739 2HG GLU 14 HG1 GLU 14 0.085 -7.137 -7.137 740 H GLU 15 HN GLU 15 -1.348 -7.004 -7.004 741 HA GLU 15 HA GLU 15 0.217 -4.507 -4.507 742 1HB GLU 15 HB2 GLU 15 -2.093 -3.469 -3.469 743 2HB GLU 15 HB1 GLU 15 -1.078 -4.279 -4.279 744 1HG GLU 15 HG2 GLU 15 -2.428 -6.174 -6.174 745 2HG GLU 15 HG1 GLU 15 -3.076 -5.891 -5.891 746 H VAL 16 HN VAL 16 -1.109 -2.613 -2.613 747 HA VAL 16 HA VAL 16 -2.319 -1.740 -1.740 748 HB VAL 16 HB VAL 16 -2.862 -4.550 -4.550 749 1HG1 VAL 16 HG13 VAL 16 -4.147 -1.834 -1.834 750 2HG1 VAL 16 HG12 VAL 16 -5.032 -3.315 -3.315 751 3HG1 VAL 16 HG11 VAL 16 -3.573 -2.913 -2.913 752 1HG2 VAL 16 HG23 VAL 16 -3.715 -3.304 -3.304 753 2HG2 VAL 16 HG22 VAL 16 -3.953 -4.961 -4.961 754 3HG2 VAL 16 HG21 VAL 16 -5.089 -3.699 -3.699 755 H GLU 17 HN GLU 17 -0.988 -4.823 -4.823 756 HA GLU 17 HA GLU 17 0.085 -3.630 -3.630 757 1HB GLU 17 HB2 GLU 17 -0.324 -6.193 -6.193 758 2HB GLU 17 HB1 GLU 17 1.435 -6.066 -6.066 759 1HG GLU 17 HG2 GLU 17 1.319 -6.602 -6.602 760 2HG GLU 17 HG1 GLU 17 0.965 -4.883 -4.883 761 H ILE 18 HN ILE 18 1.591 -4.379 -4.379 762 HA ILE 18 HA ILE 18 4.255 -3.724 -3.724 763 HB ILE 18 HB ILE 18 3.502 -5.002 -5.002 764 1HG1 ILE 18 HG12 ILE 18 5.508 -3.989 -3.989 765 2HG1 ILE 18 HG11 ILE 18 5.684 -2.920 -2.920 766 1HG2 ILE 18 HG23 ILE 18 2.222 -2.666 -2.666 767 2HG2 ILE 18 HG22 ILE 18 3.728 -2.456 -2.456 768 3HG2 ILE 18 HG21 ILE 18 2.705 -3.859 -3.859 769 1HD1 ILE 18 HD13 ILE 18 5.396 -5.864 -5.864 770 2HD1 ILE 18 HD12 ILE 18 6.953 -5.244 -5.244 771 3HD1 ILE 18 HD11 ILE 18 6.250 -4.655 -4.655 772 H LEU 19 HN LEU 19 1.521 -1.781 -1.781 773 HA LEU 19 HA LEU 19 3.147 0.615 0.615 774 1HB LEU 19 HB2 LEU 19 0.945 0.135 0.135 775 2HB LEU 19 HB1 LEU 19 0.147 0.414 0.414 776 HG LEU 19 HG LEU 19 0.252 2.424 2.424 777 1HD1 LEU 19 HD11 LEU 19 0.198 2.305 2.305 778 2HD1 LEU 19 HD13 LEU 19 1.752 3.118 3.118 779 3HD1 LEU 19 HD12 LEU 19 0.291 3.843 3.843 780 1HD2 LEU 19 HD23 LEU 19 2.844 1.711 1.711 781 2HD2 LEU 19 HD22 LEU 19 2.255 3.354 3.354 782 3HD2 LEU 19 HD21 LEU 19 3.035 2.915 2.915 783 H LYS 20 HN LYS 20 0.875 -0.505 -0.505 784 HA LYS 20 HA LYS 20 1.291 1.809 1.809 785 1HB LYS 20 HB2 LYS 20 -0.730 0.302 0.302 786 2HB LYS 20 HB1 LYS 20 0.294 -0.935 -0.935 787 1HG LYS 20 HG2 LYS 20 0.613 1.642 1.642 788 2HG LYS 20 HG1 LYS 20 -1.062 1.091 1.091 789 1HD LYS 20 HD2 LYS 20 0.529 -1.187 -1.187 790 2HD LYS 20 HD1 LYS 20 1.187 0.118 0.118 791 1HE LYS 20 HE2 LYS 20 -0.659 0.210 0.210 792 2HE LYS 20 HE1 LYS 20 -1.758 0.009 0.009 793 1HZ LYS 20 HZ3 LYS 20 -0.437 -2.387 -2.387 794 2HZ LYS 20 HZ2 LYS 20 -0.786 -1.940 -1.940 795 3HZ LYS 20 HZ1 LYS 20 -2.038 -2.065 -2.065 796 H GLU 21 HN GLU 21 3.011 -1.150 -1.150 797 HA GLU 21 HA GLU 21 4.419 -1.086 -1.086 798 1HB GLU 21 HB2 GLU 21 4.646 -2.714 -2.714 799 2HB GLU 21 HB1 GLU 21 5.941 -2.758 -2.758 800 1HG GLU 21 HG2 GLU 21 3.218 -3.026 -3.026 801 2HG GLU 21 HG1 GLU 21 3.728 -4.363 -4.363 802 H GLN 22 HN GLN 22 5.027 -0.039 -0.039 803 HA GLN 22 HA GLN 22 7.765 0.778 0.778 804 1HB GLN 22 HB2 GLN 22 5.852 1.314 1.314 805 2HB GLN 22 HB1 GLN 22 7.458 2.041 2.041 806 1HG GLN 22 HG2 GLN 22 7.292 -0.896 -0.896 807 2HG GLN 22 HG1 GLN 22 7.014 -0.334 -0.334 808 1HE2 GLN 22 HE22 GLN 22 10.769 -0.600 -0.600 809 2HE2 GLN 22 HE21 GLN 22 9.457 -1.425 -1.425 810 H ILE 23 HN ILE 23 4.588 2.326 2.326 811 HA ILE 23 HA ILE 23 5.669 4.994 4.994 812 HB ILE 23 HB ILE 23 3.439 4.520 4.520 813 1HG1 ILE 23 HG12 ILE 23 3.221 6.216 6.216 814 2HG1 ILE 23 HG11 ILE 23 4.113 6.725 6.725 815 1HG2 ILE 23 HG21 ILE 23 2.981 2.798 2.798 816 2HG2 ILE 23 HG23 ILE 23 2.267 4.225 4.225 817 3HG2 ILE 23 HG22 ILE 23 1.657 3.645 3.645 818 1HD1 ILE 23 HD13 ILE 23 1.227 5.843 5.843 819 2HD1 ILE 23 HD12 ILE 23 1.680 7.518 7.518 820 3HD1 ILE 23 HD11 ILE 23 2.150 6.742 6.742 821 H ARG 24 HN ARG 24 4.568 2.287 2.287 822 HA ARG 24 HA ARG 24 4.438 3.805 3.805 823 1HB ARG 24 HB2 ARG 24 3.131 1.791 1.791 824 2HB ARG 24 HB1 ARG 24 4.524 0.839 0.839 825 1HG ARG 24 HG2 ARG 24 5.556 1.000 1.000 826 2HG ARG 24 HG1 ARG 24 4.482 2.303 2.303 827 1HD ARG 24 HD2 ARG 24 3.072 0.777 0.777 828 2HD ARG 24 HD1 ARG 24 2.839 0.104 0.104 829 HE ARG 24 HE ARG 24 4.488 -1.573 -1.573 830 1HH1 ARG 24 HH21 ARG 24 4.514 0.942 0.942 831 2HH1 ARG 24 HH22 ARG 24 5.127 -0.057 -0.057 832 1HH2 ARG 24 HH11 ARG 24 5.076 -2.962 -2.962 833 2HH2 ARG 24 HH12 ARG 24 5.446 -2.266 -2.266 834 H GLU 25 HN GLU 25 6.809 1.789 1.789 835 HA GLU 25 HA GLU 25 8.771 1.933 1.933 836 1HB GLU 25 HB2 GLU 25 8.694 0.083 0.083 837 2HB GLU 25 HB1 GLU 25 9.209 1.254 1.254 838 1HG GLU 25 HG2 GLU 25 11.308 0.614 0.614 839 2HG GLU 25 HG1 GLU 25 11.055 1.684 1.684 840 H LEU 26 HN LEU 26 7.893 3.801 3.801 841 HA LEU 26 HA LEU 26 10.338 5.384 5.384 842 1HB LEU 26 HB2 LEU 26 7.779 5.275 5.275 843 2HB LEU 26 HB1 LEU 26 8.378 6.917 6.917 844 HG LEU 26 HG LEU 26 10.467 6.398 6.398 845 1HD1 LEU 26 HD13 LEU 26 9.708 3.681 3.681 846 2HD1 LEU 26 HD12 LEU 26 10.240 3.778 3.778 847 3HD1 LEU 26 HD11 LEU 26 11.302 4.331 4.331 848 1HD2 LEU 26 HD21 LEU 26 7.990 5.411 5.411 849 2HD2 LEU 26 HD23 LEU 26 8.936 6.866 6.866 850 3HD2 LEU 26 HD22 LEU 26 9.553 5.290 5.290 851 H VAL 27 HN VAL 27 7.134 5.648 5.648 852 HA VAL 27 HA VAL 27 7.667 8.319 8.319 853 HB VAL 27 HB VAL 27 5.434 6.333 6.333 854 1HG1 VAL 27 HG13 VAL 27 5.899 7.936 7.936 855 2HG1 VAL 27 HG12 VAL 27 5.620 9.265 9.265 856 3HG1 VAL 27 HG11 VAL 27 4.309 8.152 8.152 857 1HG2 VAL 27 HG22 VAL 27 5.533 7.285 7.285 858 2HG2 VAL 27 HG21 VAL 27 4.107 7.819 7.819 859 3HG2 VAL 27 HG23 VAL 27 5.482 8.904 8.904 860 H GLU 28 HN GLU 28 8.153 5.025 5.025 861 HA GLU 28 HA GLU 28 8.379 5.525 5.525 862 1HB GLU 28 HB2 GLU 28 7.811 3.279 3.279 863 2HB GLU 28 HB1 GLU 28 9.507 3.180 3.180 864 1HG GLU 28 HG2 GLU 28 9.799 2.195 2.195 865 2HG GLU 28 HG1 GLU 28 9.721 3.843 3.843 866 H LYS 29 HN LYS 29 10.546 5.206 5.206 867 HA LYS 29 HA LYS 29 12.966 5.546 5.546 868 1HB LYS 29 HB2 LYS 29 12.283 5.274 5.274 869 2HB LYS 29 HB1 LYS 29 13.775 6.133 6.133 870 1HG LYS 29 HG2 LYS 29 14.827 4.230 4.230 871 2HG LYS 29 HG1 LYS 29 13.460 3.709 3.709 872 1HD LYS 29 HD2 LYS 29 13.490 2.068 2.068 873 2HD LYS 29 HD1 LYS 29 12.333 3.222 3.222 874 1HE LYS 29 HE2 LYS 29 15.106 3.869 3.869 875 2HE LYS 29 HE1 LYS 29 14.598 2.292 2.292 876 1HZ LYS 29 HZ1 LYS 29 12.933 4.714 4.714 877 2HZ LYS 29 HZ3 LYS 29 14.128 4.282 4.282 878 3HZ LYS 29 HZ2 LYS 29 12.822 3.235 3.235 879 H ASN 30 HN ASN 30 10.808 7.592 7.592 880 HA ASN 30 HA ASN 30 12.443 9.971 9.971 881 1HB ASN 30 HB2 ASN 30 10.263 9.369 9.369 882 2HB ASN 30 HB1 ASN 30 9.466 10.202 10.202 883 1HD2 ASN 30 HD22 ASN 30 10.486 13.392 13.392 884 2HD2 ASN 30 HD21 ASN 30 9.517 12.474 12.474 885 H SER 31 HN SER 31 9.908 8.527 8.527 886 HA SER 31 HA SER 31 9.687 10.733 10.733 887 1HB SER 31 HB2 SER 31 7.910 9.064 9.064 888 2HB SER 31 HB1 SER 31 9.041 7.782 7.782 889 HG SER 31 HG SER 31 8.324 8.273 8.273 890 H GLN 32 HN GLN 32 11.661 7.787 7.787 891 HA GLN 32 HA GLN 32 12.872 8.085 8.085 892 1HB GLN 32 HB2 GLN 32 13.680 6.678 6.678 893 2HB GLN 32 HB1 GLN 32 14.782 6.749 6.749 894 1HG GLN 32 HG2 GLN 32 12.186 6.027 6.027 895 2HG GLN 32 HG1 GLN 32 12.583 4.976 4.976 896 1HE2 GLN 32 HE22 GLN 32 14.367 4.307 4.307 897 2HE2 GLN 32 HE21 GLN 32 13.004 5.302 5.302 898 H LEU 33 HN LEU 33 13.550 9.415 9.415 899 HA LEU 33 HA LEU 33 16.016 10.722 10.722 900 1HB LEU 33 HB2 LEU 33 14.464 10.679 10.679 901 2HB LEU 33 HB1 LEU 33 15.745 11.863 11.863 902 HG LEU 33 HG LEU 33 16.180 8.906 8.906 903 1HD1 LEU 33 HD11 LEU 33 15.952 10.408 10.408 904 2HD1 LEU 33 HD13 LEU 33 17.483 9.549 9.549 905 3HD1 LEU 33 HD12 LEU 33 15.961 8.665 8.665 906 1HD2 LEU 33 HD21 LEU 33 17.750 10.591 10.591 907 2HD2 LEU 33 HD23 LEU 33 18.526 9.524 9.524 908 3HD2 LEU 33 HD22 LEU 33 18.099 11.173 11.173 909 H GLU 34 HN GLU 34 12.657 11.347 11.347 910 HA GLU 34 HA GLU 34 12.871 14.266 14.266 911 1HB GLU 34 HB2 GLU 34 10.797 12.724 12.724 912 2HB GLU 34 HB1 GLU 34 10.531 12.804 12.804 913 1HG GLU 34 HG2 GLU 34 9.315 14.653 14.653 914 2HG GLU 34 HG1 GLU 34 10.864 15.381 15.381 915 H ARG 35 HN ARG 35 12.502 11.724 11.724 916 HA ARG 35 HA ARG 35 12.504 13.639 13.639 917 1HB ARG 35 HB2 ARG 35 12.649 10.620 10.620 918 2HB ARG 35 HB1 ARG 35 12.781 11.489 11.489 919 1HG ARG 35 HG2 ARG 35 10.587 12.307 12.307 920 2HG ARG 35 HG1 ARG 35 10.494 12.069 12.069 921 1HD ARG 35 HD2 ARG 35 10.045 9.811 9.811 922 2HD ARG 35 HD1 ARG 35 10.917 9.658 9.658 923 HE ARG 35 HE ARG 35 8.684 11.297 11.297 924 1HH1 ARG 35 HH21 ARG 35 8.719 8.475 8.475 925 2HH1 ARG 35 HH22 ARG 35 7.580 7.616 7.616 926 1HH2 ARG 35 HH11 ARG 35 7.493 10.037 10.037 927 2HH2 ARG 35 HH12 ARG 35 6.888 8.499 8.499 928 H GLU 36 HN GLU 36 14.854 11.702 11.702 929 HA GLU 36 HA GLU 36 16.972 12.145 12.145 930 1HB GLU 36 HB2 GLU 36 16.842 10.163 10.163 931 2HB GLU 36 HB1 GLU 36 17.322 11.290 11.290 932 1HG GLU 36 HG2 GLU 36 19.451 10.806 10.806 933 2HG GLU 36 HG1 GLU 36 19.143 11.835 11.835 934 H ASN 37 HN ASN 37 15.916 13.553 13.553 935 HA ASN 37 HA ASN 37 18.174 15.380 15.380 936 1HB ASN 37 HB2 ASN 37 17.014 14.746 14.746 937 2HB ASN 37 HB1 ASN 37 15.477 15.322 15.322 938 1HD2 ASN 37 HD22 ASN 37 16.206 18.336 18.336 939 2HD2 ASN 37 HD21 ASN 37 15.220 16.954 16.954 940 H THR 38 HN THR 38 14.918 15.474 15.474 941 HA THR 38 HA THR 38 14.932 18.335 18.335 942 HB THR 38 HB THR 38 13.295 16.143 16.143 943 HG1 THR 38 HG1 THR 38 12.889 17.796 17.796 944 1HG2 THR 38 HG23 THR 38 13.517 18.997 18.997 945 2HG2 THR 38 HG22 THR 38 11.890 18.574 18.574 946 3HG2 THR 38 HG21 THR 38 12.580 17.797 17.797 947 H LEU 39 HN LEU 39 15.862 15.453 15.453 948 HA LEU 39 HA LEU 39 16.359 16.916 16.916 949 1HB LEU 39 HB2 LEU 39 15.988 14.309 14.309 950 2HB LEU 39 HB1 LEU 39 17.751 14.334 14.334 951 HG LEU 39 HG LEU 39 17.557 15.730 15.730 952 1HD1 LEU 39 HD13 LEU 39 14.841 15.212 15.212 953 2HD1 LEU 39 HD12 LEU 39 15.272 14.131 14.131 954 3HD1 LEU 39 HD11 LEU 39 15.523 15.870 15.870 955 1HD2 LEU 39 HD23 LEU 39 17.220 12.757 12.757 956 2HD2 LEU 39 HD22 LEU 39 18.658 13.653 13.653 957 3HD2 LEU 39 HD21 LEU 39 17.316 13.451 13.451 958 H LEU 40 HN LEU 40 18.305 15.903 15.903 959 HA LEU 40 HA LEU 40 20.792 16.842 16.842 960 1HB LEU 40 HB2 LEU 40 19.992 15.678 15.678 961 2HB LEU 40 HB1 LEU 40 21.483 16.622 16.622 962 HG LEU 40 HG LEU 40 20.862 14.374 14.374 963 1HD1 LEU 40 HD12 LEU 40 22.135 14.368 14.368 964 2HD1 LEU 40 HD11 LEU 40 22.746 13.268 13.268 965 3HD1 LEU 40 HD13 LEU 40 21.058 13.177 13.177 966 1HD2 LEU 40 HD21 LEU 40 23.210 16.155 16.155 967 2HD2 LEU 40 HD23 LEU 40 22.529 15.692 15.692 968 3HD2 LEU 40 HD22 LEU 40 23.489 14.535 14.535 969 H LYS 41 HN LYS 41 18.205 18.179 18.179 970 HA LYS 41 HA LYS 41 19.732 20.511 20.511 971 1HB LYS 41 HB2 LYS 41 17.868 19.764 19.764 972 2HB LYS 41 HB1 LYS 41 16.761 19.889 19.889 973 1HG LYS 41 HG2 LYS 41 16.341 21.997 21.997 974 2HG LYS 41 HG1 LYS 41 17.959 22.401 22.401 975 1HD LYS 41 HD2 LYS 41 18.901 22.237 22.237 976 2HD LYS 41 HD1 LYS 41 17.596 21.213 21.213 977 1HE LYS 41 HE2 LYS 41 16.137 23.006 23.006 978 2HE LYS 41 HE1 LYS 41 16.967 24.004 24.004 979 1HZ LYS 41 HZ3 LYS 41 18.484 23.206 23.206 980 2HZ LYS 41 HZ2 LYS 41 17.264 24.368 24.368 981 3HZ LYS 41 HZ1 LYS 41 18.525 24.657 24.657 982 H THR 42 HN THR 42 17.605 19.614 19.614 983 HA THR 42 HA THR 42 17.431 22.358 22.358 984 HB THR 42 HB THR 42 16.628 19.694 19.694 985 HG1 THR 42 HG1 THR 42 15.058 21.812 21.812 986 1HG2 THR 42 HG22 THR 42 16.609 22.490 22.490 987 2HG2 THR 42 HG21 THR 42 15.211 21.478 21.478 988 3HG2 THR 42 HG23 THR 42 16.821 20.972 20.972 989 H LEU 43 HN LEU 43 19.321 19.442 19.442 990 HA LEU 43 HA LEU 43 20.599 20.514 20.514 991 1HB LEU 43 HB2 LEU 43 20.541 18.009 18.009 992 2HB LEU 43 HB1 LEU 43 22.223 18.500 18.500 993 HG LEU 43 HG LEU 43 21.526 19.059 19.059 994 1HD1 LEU 43 HD11 LEU 43 19.068 18.696 18.696 995 2HD1 LEU 43 HD13 LEU 43 19.432 16.972 16.972 996 3HD1 LEU 43 HD12 LEU 43 19.639 17.873 17.873 997 1HD2 LEU 43 HD23 LEU 43 22.322 16.578 16.578 998 2HD2 LEU 43 HD22 LEU 43 22.924 17.289 17.289 999 3HD2 LEU 43 HD21 LEU 43 21.483 16.274 16.274 1000 H ALA 44 HN ALA 44 21.433 20.250 20.250 1001 HA ALA 44 HA ALA 44 24.057 21.453 21.453 1002 1HB ALA 44 HB3 ALA 44 22.322 21.135 21.135 1003 2HB ALA 44 HB2 ALA 44 24.004 21.664 21.664 1004 3HB ALA 44 HB1 ALA 44 23.597 20.035 20.035 1005 H SER 45 HN SER 45 20.831 22.603 22.603 1006 HA SER 45 HA SER 45 21.762 25.377 25.377 1007 1HB SER 45 HB2 SER 45 19.700 25.333 25.333 1008 2HB SER 45 HB1 SER 45 21.282 26.104 26.104 1009 HG SER 45 HG SER 45 22.133 24.344 24.344 1010 HA PRO 46 HA PRO 46 17.937 24.317 24.317 1011 1HB PRO 46 HB2 PRO 46 18.887 25.190 25.190 1012 2HB PRO 46 HB1 PRO 46 19.132 23.545 23.545 1013 1HG PRO 46 HG2 PRO 46 21.090 25.785 25.785 1014 2HG PRO 46 HG1 PRO 46 21.380 24.039 24.039 1015 1HD PRO 46 HD2 PRO 46 21.730 25.799 25.799 1016 2HD PRO 46 HD1 PRO 46 21.730 24.023 24.023 1017 H GLU 47 HN GLU 47 19.946 27.165 27.165 1018 HA GLU 47 HA GLU 47 17.543 28.813 28.813 1019 1HB GLU 47 HB2 GLU 47 20.502 29.295 29.295 1020 2HB GLU 47 HB1 GLU 47 19.359 30.638 30.638 1021 1HG GLU 47 HG2 GLU 47 19.091 30.197 30.197 1022 2HG GLU 47 HG1 GLU 47 18.189 28.769 28.769 1023 H GLN 48 HN GLN 48 16.562 29.150 29.150 1024 HA GLN 48 HA GLN 48 17.687 31.120 31.120 1025 1HB GLN 48 HB2 GLN 48 18.230 28.283 28.283 1026 2HB GLN 48 HB1 GLN 48 17.443 29.160 29.160 1027 1HG GLN 48 HG2 GLN 48 19.334 30.972 30.972 1028 2HG GLN 48 HG1 GLN 48 20.173 29.432 29.432 1029 1HE2 GLN 48 HE22 GLN 48 19.824 28.635 28.635 1030 2HE2 GLN 48 HE21 GLN 48 19.599 27.877 27.877 1031 H LEU 49 HN LEU 49 15.420 30.470 30.470 1032 HA LEU 49 HA LEU 49 13.278 30.822 30.822 1033 1HB LEU 49 HB2 LEU 49 13.821 28.272 28.272 1034 2HB LEU 49 HB1 LEU 49 12.999 28.592 28.592 1035 HG LEU 49 HG LEU 49 11.101 29.482 29.482 1036 1HD1 LEU 49 HD12 LEU 49 12.934 28.948 28.948 1037 2HD1 LEU 49 HD11 LEU 49 11.218 28.674 28.674 1038 3HD1 LEU 49 HD13 LEU 49 11.791 30.269 30.269 1039 1HD2 LEU 49 HD22 LEU 49 11.949 26.715 26.715 1040 2HD2 LEU 49 HD21 LEU 49 11.040 27.143 27.143 1041 3HD2 LEU 49 HD23 LEU 49 10.306 27.343 27.343 1042 H GLU 50 HN GLU 50 11.942 32.295 32.295 1043 HA GLU 50 HA GLU 50 12.337 33.224 33.224 1044 1HB GLU 50 HB2 GLU 50 10.816 34.755 34.755 1045 2HB GLU 50 HB1 GLU 50 10.511 33.785 33.785 1046 1HG GLU 50 HG2 GLU 50 8.837 32.471 32.471 1047 2HG GLU 50 HG1 GLU 50 9.176 33.370 33.370 1048 H LYS 51 HN LYS 51 10.410 30.721 30.721 1049 HA LYS 51 HA LYS 51 10.414 28.625 28.625 1050 1HB LYS 51 HB2 LYS 51 9.252 30.721 30.721 1051 2HB LYS 51 HB1 LYS 51 8.563 29.111 29.111 1052 1HG LYS 51 HG2 LYS 51 11.343 30.006 30.006 1053 2HG LYS 51 HG1 LYS 51 10.249 28.958 28.958 1054 1HD LYS 51 HD2 LYS 51 11.844 27.440 27.440 1055 2HD LYS 51 HD1 LYS 51 10.597 27.321 27.321 1056 1HE LYS 51 HE2 LYS 51 12.353 27.690 27.690 1057 2HE LYS 51 HE1 LYS 51 12.062 29.374 29.374 1058 1HZ LYS 51 HZ2 LYS 51 13.638 28.901 28.901 1059 2HZ LYS 51 HZ1 LYS 51 14.118 27.536 27.536 1060 3HZ LYS 51 HZ3 LYS 51 14.317 29.089 29.089 1061 H PHE 52 HN PHE 52 9.313 27.527 27.527 1062 HA PHE 52 HA PHE 52 6.617 27.000 27.000 1063 1HB PHE 52 HB2 PHE 52 6.016 28.314 28.314 1064 2HB PHE 52 HB1 PHE 52 5.629 28.927 28.927 1065 HD1 PHE 52 HD1 PHE 52 9.029 28.710 28.710 1066 HD2 PHE 52 HD2 PHE 52 5.799 31.268 31.268 1067 HE1 PHE 52 HE1 PHE 52 10.449 30.687 30.687 1068 HE2 PHE 52 HE2 PHE 52 7.242 33.235 33.235 1069 HZ PHE 52 HZ PHE 52 9.598 32.929 32.929 1070 H GLN 53 HN GLN 53 7.638 27.956 27.956 1071 HA GLN 53 HA GLN 53 8.146 25.078 25.078 1072 1HB GLN 53 HB2 GLN 53 7.420 25.629 25.629 1073 2HB GLN 53 HB1 GLN 53 6.155 25.908 25.908 1074 1HG GLN 53 HG2 GLN 53 7.925 28.215 28.215 1075 2HG GLN 53 HG1 GLN 53 6.840 27.725 27.725 1076 1HE2 GLN 53 HE22 GLN 53 5.374 29.762 29.762 1077 2HE2 GLN 53 HE21 GLN 53 7.034 29.551 29.551 1078 H SER 54 HN SER 54 10.222 24.601 24.601 1079 HA SER 54 HA SER 54 12.282 26.534 26.534 1080 1HB SER 54 HB2 SER 54 13.642 24.791 24.791 1081 2HB SER 54 HB1 SER 54 12.536 23.998 23.998 1082 HG SER 54 HG SER 54 11.708 22.968 22.968 1083 H ARG 55 HN ARG 55 11.510 28.283 28.283 1084 HA ARG 55 HA ARG 55 12.177 28.279 28.279 1085 1HB ARG 55 HB2 ARG 55 9.967 28.205 28.205 1086 2HB ARG 55 HB1 ARG 55 10.261 26.698 26.698 1087 1HG ARG 55 HG2 ARG 55 8.370 27.054 27.054 1088 2HG ARG 55 HG1 ARG 55 9.127 28.481 28.481 1089 1HD ARG 55 HD2 ARG 55 6.965 29.009 29.009 1090 2HD ARG 55 HD1 ARG 55 8.328 29.869 29.869 1091 HE ARG 55 HE ARG 55 8.304 27.939 27.939 1092 1HH1 ARG 55 HH21 ARG 55 6.290 26.194 26.194 1093 2HH1 ARG 55 HH22 ARG 55 4.830 26.952 26.952 1094 1HH2 ARG 55 HH11 ARG 55 6.103 30.170 30.170 1095 2HH2 ARG 55 HH12 ARG 55 4.725 29.205 29.205 1096 H LEU 56 HN LEU 56 11.876 30.034 30.034 1097 HA LEU 56 HA LEU 56 11.430 32.499 32.499 1098 1HB LEU 56 HB2 LEU 56 9.384 32.960 32.960 1099 2HB LEU 56 HB1 LEU 56 9.144 32.440 32.440 1100 HG LEU 56 HG LEU 56 8.630 30.237 30.237 1101 1HD1 LEU 56 HD11 LEU 56 10.200 30.861 30.861 1102 2HD1 LEU 56 HD13 LEU 56 8.942 29.630 29.630 1103 3HD1 LEU 56 HD12 LEU 56 10.279 29.454 29.454 1104 1HD2 LEU 56 HD23 LEU 56 7.290 32.341 32.341 1105 2HD2 LEU 56 HD22 LEU 56 6.719 30.674 30.674 1106 3HD2 LEU 56 HD21 LEU 56 7.586 31.257 31.257 1107 H SER 57 HN SER 57 10.769 34.105 34.105 1108 HA SER 57 HA SER 57 11.265 34.300 34.300 1109 1HB SER 57 HB2 SER 57 13.573 33.861 33.861 1110 2HB SER 57 HB1 SER 57 12.796 32.415 32.415 1111 HG SER 57 HG SER 57 14.966 33.792 33.792 1112 HA PRO 58 HA PRO 58 14.100 37.649 37.649 1113 1HB PRO 58 HB2 PRO 58 14.266 37.799 37.799 1114 2HB PRO 58 HB1 PRO 58 15.426 36.933 36.933 1115 1HG PRO 58 HG2 PRO 58 13.308 35.831 35.831 1116 2HG PRO 58 HG1 PRO 58 14.805 35.069 35.069 1117 1HD PRO 58 HD2 PRO 58 12.193 34.611 34.611 1118 2HD PRO 58 HD1 PRO 58 13.717 34.042 34.042 1119 H GLU 59 HN GLU 59 12.745 39.237 39.237 1120 HA GLU 59 HA GLU 59 11.390 41.113 41.113 1121 1HB GLU 59 HB2 GLU 59 10.023 39.209 39.209 1122 2HB GLU 59 HB1 GLU 59 9.801 40.951 40.951 1123 1HG GLU 59 HG2 GLU 59 11.771 41.412 41.412 1124 2HG GLU 59 HG1 GLU 59 12.594 40.011 40.011 1125 H GLU 60 HN GLU 60 9.130 38.408 38.408 1126 HA GLU 60 HA GLU 60 7.312 37.699 37.699 1127 1HB GLU 60 HB2 GLU 60 9.078 38.792 38.792 1128 2HB GLU 60 HB1 GLU 60 7.569 37.933 37.933 1129 1HG GLU 60 HG2 GLU 60 8.483 35.910 35.910 1130 2HG GLU 60 HG1 GLU 60 9.400 36.544 36.544 1131 HA PRO 61 HA PRO 61 5.052 41.538 41.538 1132 1HB PRO 61 HB2 PRO 61 2.571 40.368 40.368 1133 2HB PRO 61 HB1 PRO 61 3.460 40.530 40.530 1134 1HG PRO 61 HG2 PRO 61 3.019 38.096 38.096 1135 2HG PRO 61 HG1 PRO 61 3.330 38.226 38.226 1136 1HD PRO 61 HD2 PRO 61 5.223 37.501 37.501 1137 2HD PRO 61 HD1 PRO 61 5.582 37.935 37.935 1138 H ALA 62 HN ALA 62 4.513 42.769 42.769 1139 HA ALA 62 HA ALA 62 3.609 41.320 41.320 1140 1HB ALA 62 HB3 ALA 62 6.179 42.362 42.362 1141 2HB ALA 62 HB2 ALA 62 5.329 43.587 43.587 1142 3HB ALA 62 HB1 ALA 62 5.414 41.925 41.925 1143 HA PRO 63 HA PRO 63 0.857 44.680 44.680 1144 1HB PRO 63 HB2 PRO 63 1.061 45.132 45.132 1145 2HB PRO 63 HB1 PRO 63 0.245 43.723 43.723 1146 1HG PRO 63 HG2 PRO 63 2.898 43.877 43.877 1147 2HG PRO 63 HG1 PRO 63 1.795 42.500 42.500 1148 1HD PRO 63 HD2 PRO 63 4.139 42.922 42.922 1149 2HD PRO 63 HD1 PRO 63 2.861 41.738 41.738 1150 H GLU 64 HN GLU 64 0.890 46.795 46.795 1151 HA GLU 64 HA GLU 64 2.617 48.689 48.689 1152 1HB GLU 64 HB2 GLU 64 1.742 50.291 50.291 1153 2HB GLU 64 HB1 GLU 64 0.426 49.274 49.274 1154 1HG GLU 64 HG2 GLU 64 1.441 47.837 47.837 1155 2HG GLU 64 HG1 GLU 64 1.517 49.511 49.511 1156 H THR 65 HN THR 65 4.721 47.700 47.700 1157 HA THR 65 HA THR 65 6.095 48.757 48.757 1158 HB THR 65 HB THR 65 5.299 46.846 46.846 1159 HG1 THR 65 HG1 THR 65 7.695 45.823 45.823 1160 1HG2 THR 65 HG22 THR 65 4.449 45.687 45.687 1161 2HG2 THR 65 HG21 THR 65 6.097 45.160 45.160 1162 3HG2 THR 65 HG23 THR 65 5.273 44.605 44.605 1163 HA PRO 66 HA PRO 66 9.355 48.474 48.474 1164 1HB PRO 66 HB2 PRO 66 11.481 48.785 48.785 1165 2HB PRO 66 HB1 PRO 66 10.425 50.116 50.116 1166 1HG PRO 66 HG2 PRO 66 10.508 48.667 48.667 1167 2HG PRO 66 HG1 PRO 66 10.007 50.331 50.331 1168 1HD PRO 66 HD2 PRO 66 8.265 48.158 48.158 1169 2HD PRO 66 HD1 PRO 66 7.810 49.717 49.717 1170 H GLU 67 HN GLU 67 11.259 47.086 47.086 1171 HA GLU 67 HA GLU 67 11.178 44.477 44.477 1172 1HB GLU 67 HB2 GLU 67 10.233 44.571 44.571 1173 2HB GLU 67 HB1 GLU 67 11.904 44.793 44.793 1174 1HG GLU 67 HG2 GLU 67 11.607 42.455 42.455 1175 2HG GLU 67 HG1 GLU 67 12.413 42.706 42.706 1176 H ALA 68 HN ALA 68 13.040 44.398 44.398 1177 HA ALA 68 HA ALA 68 15.474 45.748 45.748 1178 1HB ALA 68 HB1 ALA 68 14.579 44.117 44.117 1179 2HB ALA 68 HB3 ALA 68 16.298 43.998 43.998 1180 3HB ALA 68 HB2 ALA 68 15.577 45.570 45.570 1181 HA PRO 69 HA PRO 69 16.942 42.464 42.464 1182 1HB PRO 69 HB2 PRO 69 19.519 43.384 43.384 1183 2HB PRO 69 HB1 PRO 69 18.137 44.074 44.074 1184 1HG PRO 69 HG2 PRO 69 19.629 45.178 45.178 1185 2HG PRO 69 HG1 PRO 69 18.729 46.035 46.035 1186 1HD PRO 69 HD2 PRO 69 17.808 45.527 45.527 1187 2HD PRO 69 HD1 PRO 69 16.810 46.055 46.055 1188 H GLU 70 HN GLU 70 19.309 41.241 41.241 1189 HA GLU 70 HA GLU 70 19.546 40.107 40.107 1190 1HB GLU 70 HB2 GLU 70 20.843 38.287 38.287 1191 2HB GLU 70 HB1 GLU 70 19.120 38.406 38.406 1192 1HG GLU 70 HG2 GLU 70 19.486 39.100 39.100 1193 2HG GLU 70 HG1 GLU 70 20.844 40.125 40.125 1194 H ALA 71 HN ALA 71 20.759 42.356 42.356 1195 HA ALA 71 HA ALA 71 23.474 42.423 42.423 1196 1HB ALA 71 HB3 ALA 71 21.716 44.189 44.189 1197 2HB ALA 71 HB2 ALA 71 23.344 44.175 44.175 1198 3HB ALA 71 HB1 ALA 71 23.100 44.592 44.592 1199 HA PRO 72 HA PRO 72 24.577 41.224 41.224 1200 1HB PRO 72 HB2 PRO 72 22.507 40.595 40.595 1201 2HB PRO 72 HB1 PRO 72 23.152 42.234 42.234 1202 1HG PRO 72 HG2 PRO 72 20.597 41.095 41.095 1203 2HG PRO 72 HG1 PRO 72 21.004 42.776 42.776 1204 1HD PRO 72 HD2 PRO 72 20.905 41.618 41.618 1205 2HD PRO 72 HD1 PRO 72 21.593 43.203 43.203 1206 H GLY 73 HN GLY 73 25.248 39.115 39.115 1207 1HA GLY 73 HA2 GLY 73 25.001 36.745 36.745 1208 2HA GLY 73 HA1 GLY 73 23.397 36.860 36.860 1209 H GLY 74 HN GLY 74 25.618 38.652 38.652 1210 1HA GLY 74 HA2 GLY 74 25.681 36.524 36.524 1211 2HA GLY 74 HA1 GLY 74 25.998 38.237 38.237 1212 H SER 75 HN SER 75 27.405 35.194 35.194 1213 HA SER 75 HA SER 75 29.642 34.550 34.550 1214 1HB SER 75 HB2 SER 75 30.319 37.193 37.193 1215 2HB SER 75 HB1 SER 75 31.265 35.708 35.708 1216 HG SER 75 HG SER 75 30.087 35.019 35.019 1217 H ALA 76 HN ALA 76 28.619 35.533 35.533 1218 HA ALA 76 HA ALA 76 29.085 36.743 36.743 1219 1HB ALA 76 HB2 ALA 76 31.333 35.173 35.173 1220 2HB ALA 76 HB1 ALA 76 31.929 36.645 36.645 1221 3HB ALA 76 HB3 ALA 76 30.836 35.574 35.574 1222 H VAL 77 HN VAL 77 28.584 38.580 38.580 1223 HA VAL 77 HA VAL 77 29.032 40.791 40.791 1224 HB VAL 77 HB VAL 77 30.410 40.584 40.584 1225 1HG1 VAL 77 HG13 VAL 77 30.198 42.980 42.980 1226 2HG1 VAL 77 HG12 VAL 77 30.527 43.112 43.112 1227 3HG1 VAL 77 HG11 VAL 77 31.668 42.275 42.275 1228 1HG2 VAL 77 HG21 VAL 77 27.892 40.554 40.554 1229 2HG2 VAL 77 HG23 VAL 77 28.522 41.897 41.897 1230 3HG2 VAL 77 HG22 VAL 77 27.990 42.169 42.169 Start of MODEL 5 1 1H ACE 0 HA1 ACE 0 -10.692 -8.371 -8.371 2 2H ACE 0 HA2 ACE 0 -10.381 -7.816 -7.816 3 3H ACE 0 HA3 ACE 0 -10.764 -6.650 -6.650 4 H MET 1 HN MET 1 -8.486 -9.406 -9.406 5 HA MET 1 HA MET 1 -6.376 -7.515 -7.515 6 1HB MET 1 HB2 MET 1 -5.211 -9.505 -9.505 7 2HB MET 1 HB1 MET 1 -6.866 -9.485 -9.485 8 1HG MET 1 HG2 MET 1 -7.342 -10.870 -10.870 9 2HG MET 1 HG1 MET 1 -5.629 -11.264 -11.264 10 1HE MET 1 HE3 MET 1 -5.706 -13.498 -13.498 11 2HE MET 1 HE2 MET 1 -4.720 -13.136 -13.136 12 3HE MET 1 HE1 MET 1 -5.975 -14.369 -14.369 13 H ASP 2 HN ASP 2 -4.140 -7.996 -7.996 14 HA ASP 2 HA ASP 2 -2.617 -8.570 -8.570 15 1HB ASP 2 HB2 ASP 2 -4.500 -10.465 -10.465 16 2HB ASP 2 HB1 ASP 2 -4.734 -9.511 -9.511 17 H LEU 3 HN LEU 3 -5.428 -6.665 -6.665 18 HA LEU 3 HA LEU 3 -4.422 -5.378 -5.378 19 1HB LEU 3 HB2 LEU 3 -6.695 -4.033 -4.033 20 2HB LEU 3 HB1 LEU 3 -6.689 -5.591 -5.591 21 HG LEU 3 HG LEU 3 -6.874 -5.524 -5.524 22 1HD1 LEU 3 HD13 LEU 3 -8.760 -4.283 -4.283 23 2HD1 LEU 3 HD12 LEU 3 -9.493 -5.724 -5.724 24 3HD1 LEU 3 HD11 LEU 3 -8.854 -4.460 -4.460 25 1HD2 LEU 3 HD23 LEU 3 -6.601 -7.600 -7.600 26 2HD2 LEU 3 HD22 LEU 3 -7.843 -7.660 -7.660 27 3HD2 LEU 3 HD21 LEU 3 -8.291 -7.322 -7.322 28 H VAL 4 HN VAL 4 -5.186 -4.749 -4.749 29 HA VAL 4 HA VAL 4 -4.693 -1.939 -1.939 30 HB VAL 4 HB VAL 4 -4.445 -2.151 -2.151 31 1HG1 VAL 4 HG12 VAL 4 -6.608 -3.121 -3.121 32 2HG1 VAL 4 HG11 VAL 4 -6.190 -4.512 -4.512 33 3HG1 VAL 4 HG13 VAL 4 -6.542 -2.957 -2.957 34 1HG2 VAL 4 HG21 VAL 4 -3.875 -5.073 -5.073 35 2HG2 VAL 4 HG23 VAL 4 -2.736 -3.888 -3.888 36 3HG2 VAL 4 HG22 VAL 4 -4.107 -4.408 -4.408 37 H LYS 5 HN LYS 5 -2.595 -4.709 -4.709 38 HA LYS 5 HA LYS 5 -0.168 -3.109 -3.109 39 1HB LYS 5 HB2 LYS 5 1.012 -5.231 -5.231 40 2HB LYS 5 HB1 LYS 5 -0.419 -5.473 -5.473 41 1HG LYS 5 HG2 LYS 5 -1.633 -6.245 -6.245 42 2HG LYS 5 HG1 LYS 5 -0.086 -6.202 -6.202 43 1HD LYS 5 HD2 LYS 5 -0.657 -8.474 -8.474 44 2HD LYS 5 HD1 LYS 5 0.857 -7.833 -7.833 45 1HE LYS 5 HE2 LYS 5 0.022 -7.602 -7.602 46 2HE LYS 5 HE1 LYS 5 -1.580 -7.139 -7.139 47 1HZ LYS 5 HZ2 LYS 5 -0.896 -9.842 -9.842 48 2HZ LYS 5 HZ1 LYS 5 -0.901 -9.562 -9.562 49 3HZ LYS 5 HZ3 LYS 5 -2.287 -9.230 -9.230 50 H ASN 6 HN ASN 6 -1.926 -2.635 -2.635 51 HA ASN 6 HA ASN 6 0.128 -3.081 -3.081 52 1HB ASN 6 HB2 ASN 6 -2.659 -3.839 -3.839 53 2HB ASN 6 HB1 ASN 6 -2.396 -2.689 -2.689 54 1HD2 ASN 6 HD22 ASN 6 -1.558 -5.742 -5.742 55 2HD2 ASN 6 HD21 ASN 6 -2.863 -4.716 -4.716 56 H HIS 7 HN HIS 7 -2.846 -1.176 -1.176 57 HA HIS 7 HA HIS 7 -1.637 1.117 1.117 58 1HB HIS 7 HB2 HIS 7 -3.863 2.208 2.208 59 2HB HIS 7 HB1 HIS 7 -3.939 0.939 0.939 60 HD1 HIS 7 HD1 HIS 7 -6.247 0.028 0.028 61 HD2 HIS 7 HD2 HIS 7 -3.546 0.093 0.093 62 HE1 HIS 7 HE1 HIS 7 -7.324 -1.279 -1.279 63 H LEU 8 HN LEU 8 -1.707 -0.057 -0.057 64 HA LEU 8 HA LEU 8 -1.867 1.878 1.878 65 1HB LEU 8 HB2 LEU 8 0.634 1.112 1.112 66 2HB LEU 8 HB1 LEU 8 -0.798 0.118 0.118 67 HG LEU 8 HG LEU 8 -0.394 -1.141 -1.141 68 1HD1 LEU 8 HD11 LEU 8 1.487 1.119 1.119 69 2HD1 LEU 8 HD13 LEU 8 1.799 -0.454 -0.454 70 3HD1 LEU 8 HD12 LEU 8 0.292 0.384 0.384 71 1HD2 LEU 8 HD23 LEU 8 1.263 -1.245 -1.245 72 2HD2 LEU 8 HD22 LEU 8 1.416 -2.329 -2.329 73 3HD2 LEU 8 HD21 LEU 8 2.437 -0.894 -0.894 74 H MET 9 HN MET 9 0.464 2.290 2.290 75 HA MET 9 HA MET 9 1.820 4.451 4.451 76 1HB MET 9 HB2 MET 9 1.373 3.975 3.975 77 2HB MET 9 HB1 MET 9 2.448 5.211 5.211 78 1HG MET 9 HG2 MET 9 4.031 3.584 3.584 79 2HG MET 9 HG1 MET 9 3.318 3.001 3.001 80 1HE MET 9 HE3 MET 9 4.656 2.067 2.067 81 2HE MET 9 HE2 MET 9 4.931 1.007 1.007 82 3HE MET 9 HE1 MET 9 4.169 0.367 0.367 83 H TYR 10 HN TYR 10 -0.859 4.298 4.298 84 HA TYR 10 HA TYR 10 -1.730 6.916 6.916 85 1HB TYR 10 HB2 TYR 10 -3.814 6.016 6.016 86 2HB TYR 10 HB1 TYR 10 -2.662 4.749 4.749 87 HD1 TYR 10 HD2 TYR 10 -2.327 3.994 3.994 88 HD2 TYR 10 HD1 TYR 10 -5.667 4.387 4.387 89 HE1 TYR 10 HE2 TYR 10 -3.578 2.400 2.400 90 HE2 TYR 10 HE1 TYR 10 -6.922 2.760 2.760 91 HH TYR 10 HH TYR 10 -5.416 1.047 1.047 92 H ALA 11 HN ALA 11 -1.572 5.103 5.103 93 HA ALA 11 HA ALA 11 -2.727 7.248 7.248 94 1HB ALA 11 HB1 ALA 11 -4.406 4.952 4.952 95 2HB ALA 11 HB3 ALA 11 -4.537 5.413 5.413 96 3HB ALA 11 HB2 ALA 11 -4.892 6.591 6.591 97 H VAL 12 HN VAL 12 -2.033 3.817 3.817 98 HA VAL 12 HA VAL 12 -0.665 2.471 2.471 99 HB VAL 12 HB VAL 12 0.321 4.933 4.933 100 1HG1 VAL 12 HG13 VAL 12 -1.476 4.762 4.762 101 2HG1 VAL 12 HG12 VAL 12 -0.138 3.896 3.896 102 3HG1 VAL 12 HG11 VAL 12 0.086 5.555 5.555 103 1HG2 VAL 12 HG22 VAL 12 1.167 2.343 2.343 104 2HG2 VAL 12 HG21 VAL 12 2.154 3.726 3.726 105 3HG2 VAL 12 HG23 VAL 12 1.271 2.807 2.807 106 H ARG 13 HN ARG 13 -3.595 3.183 3.183 107 HA ARG 13 HA ARG 13 -4.613 3.105 3.105 108 1HB ARG 13 HB2 ARG 13 -6.576 2.309 2.309 109 2HB ARG 13 HB1 ARG 13 -5.735 2.828 2.828 110 1HG ARG 13 HG2 ARG 13 -4.916 0.515 0.515 111 2HG ARG 13 HG1 ARG 13 -5.798 0.000 0.000 112 1HD ARG 13 HD2 ARG 13 -7.581 1.472 1.472 113 2HD ARG 13 HD1 ARG 13 -6.790 0.212 0.212 114 HE ARG 13 HE ARG 13 -7.700 -1.446 -1.446 115 1HH1 ARG 13 HH21 ARG 13 -7.978 0.697 0.697 116 2HH1 ARG 13 HH22 ARG 13 -9.704 0.777 0.777 117 1HH2 ARG 13 HH11 ARG 13 -10.267 -0.870 -0.870 118 2HH2 ARG 13 HH12 ARG 13 -11.000 -0.112 -0.112 119 H GLU 14 HN GLU 14 -3.920 1.950 1.950 120 HA GLU 14 HA GLU 14 -4.178 -0.740 -0.740 121 1HB GLU 14 HB2 GLU 14 -2.779 -1.410 -1.410 122 2HB GLU 14 HB1 GLU 14 -1.566 -0.189 -0.189 123 1HG GLU 14 HG2 GLU 14 -1.063 -1.357 -1.357 124 2HG GLU 14 HG1 GLU 14 -2.281 -2.575 -2.575 125 H GLU 15 HN GLU 15 -1.658 1.774 1.774 126 HA GLU 15 HA GLU 15 -1.417 1.110 1.110 127 1HB GLU 15 HB2 GLU 15 0.570 1.392 1.392 128 2HB GLU 15 HB1 GLU 15 0.559 2.971 2.971 129 1HG GLU 15 HG2 GLU 15 1.386 2.140 2.140 130 2HG GLU 15 HG1 GLU 15 0.351 0.713 0.713 131 H VAL 16 HN VAL 16 -0.113 3.737 3.737 132 HA VAL 16 HA VAL 16 -2.384 5.597 5.597 133 HB VAL 16 HB VAL 16 -1.260 5.870 5.870 134 1HG1 VAL 16 HG11 VAL 16 -3.406 6.837 6.837 135 2HG1 VAL 16 HG13 VAL 16 -4.138 5.344 5.344 136 3HG1 VAL 16 HG12 VAL 16 -3.433 6.489 6.489 137 1HG2 VAL 16 HG23 VAL 16 -1.212 3.371 3.371 138 2HG2 VAL 16 HG22 VAL 16 -2.353 3.921 3.921 139 3HG2 VAL 16 HG21 VAL 16 -2.939 3.417 3.417 140 H GLU 17 HN GLU 17 -1.581 7.467 7.467 141 HA GLU 17 HA GLU 17 1.238 8.007 8.007 142 1HB GLU 17 HB2 GLU 17 0.453 10.300 10.300 143 2HB GLU 17 HB1 GLU 17 -0.180 8.943 8.943 144 1HG GLU 17 HG2 GLU 17 -1.959 9.320 9.320 145 2HG GLU 17 HG1 GLU 17 -1.635 10.921 10.921 146 H ILE 18 HN ILE 18 -1.301 8.911 8.911 147 HA ILE 18 HA ILE 18 0.207 11.005 11.005 148 HB ILE 18 HB ILE 18 -2.265 10.841 10.841 149 1HG1 ILE 18 HG12 ILE 18 -2.262 10.827 10.827 150 2HG1 ILE 18 HG11 ILE 18 -0.515 10.847 10.847 151 1HG2 ILE 18 HG22 ILE 18 -2.026 8.224 8.224 152 2HG2 ILE 18 HG21 ILE 18 -1.954 8.591 8.591 153 3HG2 ILE 18 HG23 ILE 18 -3.369 9.060 9.060 154 1HD1 ILE 18 HD13 ILE 18 -0.937 12.789 12.789 155 2HD1 ILE 18 HD12 ILE 18 -2.551 12.874 12.874 156 3HD1 ILE 18 HD11 ILE 18 -1.131 13.136 13.136 157 H LEU 19 HN LEU 19 -0.292 7.527 7.527 158 HA LEU 19 HA LEU 19 1.255 7.549 7.549 159 1HB LEU 19 HB2 LEU 19 -0.267 5.630 5.630 160 2HB LEU 19 HB1 LEU 19 1.324 4.952 4.952 161 HG LEU 19 HG LEU 19 -0.001 6.393 6.393 162 1HD1 LEU 19 HD11 LEU 19 -1.556 4.626 4.626 163 2HD1 LEU 19 HD13 LEU 19 -0.819 3.572 3.572 164 3HD1 LEU 19 HD12 LEU 19 -1.755 4.977 4.977 165 1HD2 LEU 19 HD22 LEU 19 1.618 3.851 3.851 166 2HD2 LEU 19 HD21 LEU 19 2.160 5.376 5.376 167 3HD2 LEU 19 HD23 LEU 19 0.968 4.391 4.391 168 H LYS 20 HN LYS 20 2.030 7.089 7.089 169 HA LYS 20 HA LYS 20 4.718 6.115 6.115 170 1HB LYS 20 HB2 LYS 20 5.079 6.261 6.261 171 2HB LYS 20 HB1 LYS 20 3.375 5.832 5.832 172 1HG LYS 20 HG2 LYS 20 2.684 8.094 8.094 173 2HG LYS 20 HG1 LYS 20 4.337 8.691 8.691 174 1HD LYS 20 HD2 LYS 20 4.138 6.590 6.590 175 2HD LYS 20 HD1 LYS 20 3.021 7.908 7.908 176 1HE LYS 20 HE2 LYS 20 5.340 9.225 9.225 177 2HE LYS 20 HE1 LYS 20 5.941 7.858 7.858 178 1HZ LYS 20 HZ3 LYS 20 4.433 8.478 8.478 179 2HZ LYS 20 HZ2 LYS 20 3.882 9.808 9.808 180 3HZ LYS 20 HZ1 LYS 20 5.493 9.750 9.750 181 H GLU 21 HN GLU 21 3.203 9.251 9.251 182 HA GLU 21 HA GLU 21 5.732 10.699 10.699 183 1HB GLU 21 HB2 GLU 21 2.833 11.406 11.406 184 2HB GLU 21 HB1 GLU 21 3.948 12.626 12.626 185 1HG GLU 21 HG2 GLU 21 5.207 11.639 11.639 186 2HG GLU 21 HG1 GLU 21 3.508 11.764 11.764 187 H GLN 22 HN GLN 22 3.508 9.526 9.526 188 HA GLN 22 HA GLN 22 4.509 11.230 11.230 189 1HB GLN 22 HB2 GLN 22 2.419 9.220 9.220 190 2HB GLN 22 HB1 GLN 22 3.298 8.990 8.990 191 1HG GLN 22 HG2 GLN 22 2.996 11.625 11.625 192 2HG GLN 22 HG1 GLN 22 1.623 11.304 11.304 193 1HE2 GLN 22 HE22 GLN 22 0.543 8.815 8.815 194 2HE2 GLN 22 HE21 GLN 22 1.277 8.541 8.541 195 H ILE 23 HN ILE 23 5.180 8.082 8.082 196 HA ILE 23 HA ILE 23 6.936 7.238 7.238 197 HB ILE 23 HB ILE 23 6.317 6.194 6.194 198 1HG1 ILE 23 HG12 ILE 23 4.767 5.722 5.722 199 2HG1 ILE 23 HG11 ILE 23 5.540 4.250 4.250 200 1HG2 ILE 23 HG23 ILE 23 8.765 5.796 5.796 201 2HG2 ILE 23 HG22 ILE 23 7.910 4.278 4.278 202 3HG2 ILE 23 HG21 ILE 23 8.383 5.284 5.284 203 1HD1 ILE 23 HD13 ILE 23 7.301 4.620 4.620 204 2HD1 ILE 23 HD12 ILE 23 6.204 5.827 5.827 205 3HD1 ILE 23 HD11 ILE 23 5.697 4.141 4.141 206 H ARG 24 HN ARG 24 7.227 8.856 8.856 207 HA ARG 24 HA ARG 24 10.141 8.829 8.829 208 1HB ARG 24 HB2 ARG 24 9.012 9.062 9.062 209 2HB ARG 24 HB1 ARG 24 8.119 10.471 10.471 210 1HG ARG 24 HG2 ARG 24 10.351 11.608 11.608 211 2HG ARG 24 HG1 ARG 24 11.101 10.259 10.259 212 1HD ARG 24 HD2 ARG 24 9.643 10.730 10.730 213 2HD ARG 24 HD1 ARG 24 8.997 12.134 12.134 214 HE ARG 24 HE ARG 24 10.983 13.287 13.287 215 1HH1 ARG 24 HH21 ARG 24 13.309 12.521 12.521 216 2HH1 ARG 24 HH22 ARG 24 14.064 11.467 11.467 217 1HH2 ARG 24 HH11 ARG 24 11.130 10.784 10.784 218 2HH2 ARG 24 HH12 ARG 24 12.834 10.485 10.485 219 H GLU 25 HN GLU 25 7.564 10.928 10.928 220 HA GLU 25 HA GLU 25 9.344 13.133 13.133 221 1HB GLU 25 HB2 GLU 25 6.473 12.599 12.599 222 2HB GLU 25 HB1 GLU 25 7.016 13.391 13.391 223 1HG GLU 25 HG2 GLU 25 8.354 14.909 14.909 224 2HG GLU 25 HG1 GLU 25 7.053 14.395 14.395 225 H LEU 26 HN LEU 26 8.187 10.196 10.196 226 HA LEU 26 HA LEU 26 8.897 10.928 10.928 227 1HB LEU 26 HB2 LEU 26 7.931 8.478 8.478 228 2HB LEU 26 HB1 LEU 26 8.819 8.241 8.241 229 HG LEU 26 HG LEU 26 6.443 10.099 10.099 230 1HD1 LEU 26 HD12 LEU 26 6.687 7.206 7.206 231 2HD1 LEU 26 HD11 LEU 26 5.581 8.157 8.157 232 3HD1 LEU 26 HD13 LEU 26 5.354 8.077 8.077 233 1HD2 LEU 26 HD22 LEU 26 8.480 9.781 9.781 234 2HD2 LEU 26 HD21 LEU 26 7.099 10.878 10.878 235 3HD2 LEU 26 HD23 LEU 26 6.938 9.251 9.251 236 H VAL 27 HN VAL 27 10.379 9.219 9.219 237 HA VAL 27 HA VAL 27 12.760 8.471 8.471 238 HB VAL 27 HB VAL 27 12.217 8.503 8.503 239 1HG1 VAL 27 HG13 VAL 27 14.679 8.462 8.462 240 2HG1 VAL 27 HG12 VAL 27 14.309 6.742 6.742 241 3HG1 VAL 27 HG11 VAL 27 14.331 7.742 7.742 242 1HG2 VAL 27 HG21 VAL 27 11.244 6.822 6.822 243 2HG2 VAL 27 HG23 VAL 27 11.203 6.508 6.508 244 3HG2 VAL 27 HG22 VAL 27 12.550 5.915 5.915 245 H GLU 28 HN GLU 28 11.673 11.159 11.159 246 HA GLU 28 HA GLU 28 14.338 12.318 12.318 247 1HB GLU 28 HB2 GLU 28 11.594 12.947 12.947 248 2HB GLU 28 HB1 GLU 28 12.511 14.376 14.376 249 1HG GLU 28 HG2 GLU 28 14.073 12.515 12.515 250 2HG GLU 28 HG1 GLU 28 12.651 13.140 13.140 251 H LYS 29 HN LYS 29 11.606 12.619 12.619 252 HA LYS 29 HA LYS 29 12.782 14.856 14.856 253 1HB LYS 29 HB2 LYS 29 10.247 13.539 13.539 254 2HB LYS 29 HB1 LYS 29 10.857 13.443 13.443 255 1HG LYS 29 HG2 LYS 29 11.138 15.828 15.828 256 2HG LYS 29 HG1 LYS 29 10.827 16.012 16.012 257 1HD LYS 29 HD2 LYS 29 8.723 16.523 16.523 258 2HD LYS 29 HD1 LYS 29 8.550 14.769 14.769 259 1HE LYS 29 HE2 LYS 29 7.835 15.171 15.171 260 2HE LYS 29 HE1 LYS 29 9.548 14.846 14.846 261 1HZ LYS 29 HZ2 LYS 29 9.954 17.243 17.243 262 2HZ LYS 29 HZ1 LYS 29 8.288 17.522 17.522 263 3HZ LYS 29 HZ3 LYS 29 8.891 16.836 16.836 264 H ASN 30 HN ASN 30 12.828 11.368 11.368 265 HA ASN 30 HA ASN 30 13.960 11.189 11.189 266 1HB ASN 30 HB2 ASN 30 12.828 9.362 9.362 267 2HB ASN 30 HB1 ASN 30 14.541 9.005 9.005 268 1HD2 ASN 30 HD22 ASN 30 12.677 7.800 7.800 269 2HD2 ASN 30 HD21 ASN 30 11.847 8.419 8.419 270 H SER 31 HN SER 31 15.170 11.296 11.296 271 HA SER 31 HA SER 31 17.948 10.895 10.895 272 1HB SER 31 HB2 SER 31 16.746 10.615 10.615 273 2HB SER 31 HB1 SER 31 17.118 12.327 12.327 274 HG SER 31 HG SER 31 18.886 11.299 11.299 275 H GLN 32 HN GLN 32 15.793 13.639 13.639 276 HA GLN 32 HA GLN 32 17.896 15.645 15.645 277 1HB GLN 32 HB2 GLN 32 15.499 15.890 15.890 278 2HB GLN 32 HB1 GLN 32 14.997 16.122 16.122 279 1HG GLN 32 HG2 GLN 32 17.155 17.791 17.791 280 2HG GLN 32 HG1 GLN 32 16.529 17.923 17.923 281 1HE2 GLN 32 HE22 GLN 32 14.006 19.029 19.029 282 2HE2 GLN 32 HE21 GLN 32 15.115 17.772 17.772 283 H LEU 33 HN LEU 33 15.772 13.978 13.978 284 HA LEU 33 HA LEU 33 16.593 15.647 15.647 285 1HB LEU 33 HB2 LEU 33 14.486 13.789 13.789 286 2HB LEU 33 HB1 LEU 33 15.401 13.188 13.188 287 HG LEU 33 HG LEU 33 14.522 16.072 16.072 288 1HD1 LEU 33 HD13 LEU 33 12.964 13.641 13.641 289 2HD1 LEU 33 HD12 LEU 33 12.809 15.008 15.008 290 3HD1 LEU 33 HD11 LEU 33 12.405 15.203 15.203 291 1HD2 LEU 33 HD22 LEU 33 16.318 15.474 15.474 292 2HD2 LEU 33 HD21 LEU 33 14.849 15.991 15.991 293 3HD2 LEU 33 HD23 LEU 33 15.249 14.276 14.276 294 H GLU 34 HN GLU 34 17.631 12.811 12.811 295 HA GLU 34 HA GLU 34 19.202 11.751 11.751 296 1HB GLU 34 HB2 GLU 34 18.370 10.203 10.203 297 2HB GLU 34 HB1 GLU 34 19.207 11.112 11.112 298 1HG GLU 34 HG2 GLU 34 21.370 10.633 10.633 299 2HG GLU 34 HG1 GLU 34 20.467 9.554 9.554 300 H ARG 35 HN ARG 35 19.644 13.807 13.807 301 HA ARG 35 HA ARG 35 22.539 13.997 13.997 302 1HB ARG 35 HB2 ARG 35 20.563 15.578 15.578 303 2HB ARG 35 HB1 ARG 35 22.306 15.850 15.850 304 1HG ARG 35 HG2 ARG 35 22.073 13.093 13.093 305 2HG ARG 35 HG1 ARG 35 20.745 13.730 13.730 306 1HD ARG 35 HD2 ARG 35 22.155 14.842 14.842 307 2HD ARG 35 HD1 ARG 35 23.416 15.051 15.051 308 HE ARG 35 HE ARG 35 24.350 13.169 13.169 309 1HH1 ARG 35 HH21 ARG 35 23.503 11.042 11.042 310 2HH1 ARG 35 HH22 ARG 35 22.342 10.179 10.179 311 1HH2 ARG 35 HH11 ARG 35 21.746 12.824 12.824 312 2HH2 ARG 35 HH12 ARG 35 21.351 11.185 11.185 313 H GLU 36 HN GLU 36 19.687 15.948 15.948 314 HA GLU 36 HA GLU 36 21.274 18.108 18.108 315 1HB GLU 36 HB2 GLU 36 18.343 17.386 17.386 316 2HB GLU 36 HB1 GLU 36 19.087 18.867 18.867 317 1HG GLU 36 HG2 GLU 36 19.784 18.496 18.496 318 2HG GLU 36 HG1 GLU 36 18.032 18.414 18.414 319 H ASN 37 HN ASN 37 19.841 15.120 15.120 320 HA ASN 37 HA ASN 37 20.246 15.662 15.662 321 1HB ASN 37 HB2 ASN 37 18.534 14.051 14.051 322 2HB ASN 37 HB1 ASN 37 19.786 13.049 13.049 323 1HD2 ASN 37 HD22 ASN 37 20.194 11.306 11.306 324 2HD2 ASN 37 HD21 ASN 37 20.067 11.252 11.252 325 H THR 38 HN THR 38 22.065 14.218 14.218 326 HA THR 38 HA THR 38 24.143 13.103 13.103 327 HB THR 38 HB THR 38 24.107 13.728 13.728 328 HG1 THR 38 HG1 THR 38 23.547 11.467 11.467 329 1HG2 THR 38 HG23 THR 38 26.301 13.166 13.166 330 2HG2 THR 38 HG22 THR 38 25.971 11.682 11.682 331 3HG2 THR 38 HG21 THR 38 26.285 13.186 13.186 332 H LEU 39 HN LEU 39 23.584 16.107 16.107 333 HA LEU 39 HA LEU 39 26.247 17.168 17.168 334 1HB LEU 39 HB2 LEU 39 23.949 17.932 17.932 335 2HB LEU 39 HB1 LEU 39 24.399 19.278 19.278 336 HG LEU 39 HG LEU 39 26.405 17.773 17.773 337 1HD1 LEU 39 HD12 LEU 39 24.368 19.635 19.635 338 2HD1 LEU 39 HD11 LEU 39 25.953 20.386 20.386 339 3HD1 LEU 39 HD13 LEU 39 25.604 18.852 18.852 340 1HD2 LEU 39 HD21 LEU 39 27.212 19.077 19.077 341 2HD2 LEU 39 HD23 LEU 39 27.819 19.703 19.703 342 3HD2 LEU 39 HD22 LEU 39 26.493 20.523 20.523 343 H LEU 40 HN LEU 40 23.141 17.130 17.130 344 HA LEU 40 HA LEU 40 23.799 19.262 19.262 345 1HB LEU 40 HB2 LEU 40 21.503 17.620 17.620 346 2HB LEU 40 HB1 LEU 40 21.790 17.615 17.615 347 HG LEU 40 HG LEU 40 21.659 20.119 20.119 348 1HD1 LEU 40 HD13 LEU 40 19.543 18.479 18.479 349 2HD1 LEU 40 HD12 LEU 40 19.573 19.695 19.695 350 3HD1 LEU 40 HD11 LEU 40 19.421 20.190 20.190 351 1HD2 LEU 40 HD22 LEU 40 22.882 19.765 19.765 352 2HD2 LEU 40 HD21 LEU 40 22.162 21.287 21.287 353 3HD2 LEU 40 HD23 LEU 40 21.250 20.190 20.190 354 H LYS 41 HN LYS 41 23.868 15.717 15.717 355 HA LYS 41 HA LYS 41 24.742 15.553 15.553 356 1HB LYS 41 HB2 LYS 41 25.010 13.186 13.186 357 2HB LYS 41 HB1 LYS 41 23.531 13.700 13.700 358 1HG LYS 41 HG2 LYS 41 24.341 12.941 12.941 359 2HG LYS 41 HG1 LYS 41 25.684 14.075 14.075 360 1HD LYS 41 HD2 LYS 41 27.131 12.433 12.433 361 2HD LYS 41 HD1 LYS 41 26.045 11.806 11.806 362 1HE LYS 41 HE2 LYS 41 24.712 11.008 11.008 363 2HE LYS 41 HE1 LYS 41 26.366 10.968 10.968 364 1HZ LYS 41 HZ3 LYS 41 26.372 9.858 9.858 365 2HZ LYS 41 HZ2 LYS 41 25.095 9.138 9.138 366 3HZ LYS 41 HZ1 LYS 41 26.675 9.080 9.080 367 H THR 42 HN THR 42 26.255 15.881 15.881 368 HA THR 42 HA THR 42 28.928 15.187 15.187 369 HB THR 42 HB THR 42 27.892 16.506 16.506 370 HG1 THR 42 HG1 THR 42 28.060 14.554 14.554 371 1HG2 THR 42 HG22 THR 42 30.587 16.475 16.475 372 2HG2 THR 42 HG21 THR 42 30.516 15.742 15.742 373 3HG2 THR 42 HG23 THR 42 29.955 17.396 17.396 374 H LEU 43 HN LEU 43 27.030 18.129 18.129 375 HA LEU 43 HA LEU 43 29.233 19.922 19.922 376 1HB LEU 43 HB2 LEU 43 26.422 20.153 20.153 377 2HB LEU 43 HB1 LEU 43 26.852 21.282 21.282 378 HG LEU 43 HG LEU 43 28.687 22.170 22.170 379 1HD1 LEU 43 HD13 LEU 43 28.096 19.763 19.763 380 2HD1 LEU 43 HD12 LEU 43 28.623 21.211 21.211 381 3HD1 LEU 43 HD11 LEU 43 29.648 20.501 20.501 382 1HD2 LEU 43 HD22 LEU 43 25.927 22.090 22.090 383 2HD2 LEU 43 HD21 LEU 43 26.991 23.474 23.474 384 3HD2 LEU 43 HD23 LEU 43 27.124 22.520 22.520 385 H ALA 44 HN ALA 44 26.705 18.284 18.284 386 HA ALA 44 HA ALA 44 27.477 19.696 19.696 387 1HB ALA 44 HB2 ALA 44 25.067 19.274 19.274 388 2HB ALA 44 HB1 ALA 44 25.388 17.540 17.540 389 3HB ALA 44 HB3 ALA 44 25.594 18.498 18.498 390 H SER 45 HN SER 45 28.878 17.404 17.404 391 HA SER 45 HA SER 45 29.198 15.294 15.294 392 1HB SER 45 HB2 SER 45 29.367 14.583 14.583 393 2HB SER 45 HB1 SER 45 30.473 15.891 15.891 394 HG SER 45 HG SER 45 31.030 13.444 13.444 395 HA PRO 46 HA PRO 46 33.493 17.387 17.387 396 1HB PRO 46 HB2 PRO 46 33.660 20.033 20.033 397 2HB PRO 46 HB1 PRO 46 34.052 18.675 18.675 398 1HG PRO 46 HG2 PRO 46 31.649 20.437 20.437 399 2HG PRO 46 HG1 PRO 46 32.384 19.536 19.536 400 1HD PRO 46 HD2 PRO 46 30.073 18.782 18.782 401 2HD PRO 46 HD1 PRO 46 31.005 17.735 17.735 402 H GLU 47 HN GLU 47 31.075 20.069 20.069 403 HA GLU 47 HA GLU 47 31.300 19.781 19.781 404 1HB GLU 47 HB2 GLU 47 31.793 22.489 22.489 405 2HB GLU 47 HB1 GLU 47 32.993 21.259 21.259 406 1HG GLU 47 HG2 GLU 47 33.727 21.129 21.129 407 2HG GLU 47 HG1 GLU 47 32.358 22.089 22.089 408 H GLN 48 HN GLN 48 29.340 20.156 20.156 409 HA GLN 48 HA GLN 48 27.712 22.403 22.403 410 1HB GLN 48 HB2 GLN 48 27.593 20.604 20.604 411 2HB GLN 48 HB1 GLN 48 26.046 20.564 20.564 412 1HG GLN 48 HG2 GLN 48 25.523 22.523 22.523 413 2HG GLN 48 HG1 GLN 48 26.821 23.278 23.278 414 1HE2 GLN 48 HE22 GLN 48 27.490 22.265 22.265 415 2HE2 GLN 48 HE21 GLN 48 26.201 21.546 21.546 416 H LEU 49 HN LEU 49 28.648 20.595 20.595 417 HA LEU 49 HA LEU 49 26.115 19.613 19.613 418 1HB LEU 49 HB2 LEU 49 27.679 17.863 17.863 419 2HB LEU 49 HB1 LEU 49 28.611 17.979 17.979 420 HG LEU 49 HG LEU 49 26.353 16.379 16.379 421 1HD1 LEU 49 HD13 LEU 49 28.437 16.065 16.065 422 2HD1 LEU 49 HD12 LEU 49 27.646 17.023 17.023 423 3HD1 LEU 49 HD11 LEU 49 26.941 15.493 15.493 424 1HD2 LEU 49 HD23 LEU 49 24.965 18.395 18.395 425 2HD2 LEU 49 HD22 LEU 49 24.745 17.114 17.114 426 3HD2 LEU 49 HD21 LEU 49 25.760 18.496 18.496 427 H GLU 50 HN GLU 50 25.992 20.655 20.655 428 HA GLU 50 HA GLU 50 27.889 22.164 22.164 429 1HB GLU 50 HB2 GLU 50 26.381 20.413 20.413 430 2HB GLU 50 HB1 GLU 50 26.473 22.169 22.169 431 1HG GLU 50 HG2 GLU 50 25.034 21.945 21.945 432 2HG GLU 50 HG1 GLU 50 24.661 20.335 20.335 433 H LYS 51 HN LYS 51 27.589 18.712 18.712 434 HA LYS 51 HA LYS 51 29.294 17.105 17.105 435 1HB LYS 51 HB2 LYS 51 30.639 19.424 19.424 436 2HB LYS 51 HB1 LYS 51 31.034 18.736 18.736 437 1HG LYS 51 HG2 LYS 51 32.687 17.967 17.967 438 2HG LYS 51 HG1 LYS 51 31.686 16.609 16.609 439 1HD LYS 51 HD2 LYS 51 30.385 17.915 17.915 440 2HD LYS 51 HD1 LYS 51 32.061 17.599 17.599 441 1HE LYS 51 HE2 LYS 51 31.789 15.238 15.238 442 2HE LYS 51 HE1 LYS 51 30.102 15.563 15.563 443 1HZ LYS 51 HZ2 LYS 51 29.928 16.378 16.378 444 2HZ LYS 51 HZ1 LYS 51 31.404 15.580 15.580 445 3HZ LYS 51 HZ3 LYS 51 30.045 14.700 14.700 446 H PHE 52 HN PHE 52 28.520 19.243 19.243 447 HA PHE 52 HA PHE 52 28.557 18.736 18.736 448 1HB PHE 52 HB2 PHE 52 26.434 17.062 17.062 449 2HB PHE 52 HB1 PHE 52 26.297 18.736 18.736 450 HD1 PHE 52 HD1 PHE 52 27.413 15.469 15.469 451 HD2 PHE 52 HD2 PHE 52 25.214 19.138 19.138 452 HE1 PHE 52 HE1 PHE 52 26.866 14.865 14.865 453 HE2 PHE 52 HE2 PHE 52 24.656 18.476 18.476 454 HZ PHE 52 HZ PHE 52 25.457 16.314 16.314 455 H GLN 53 HN GLN 53 27.261 15.624 15.624 456 HA GLN 53 HA GLN 53 29.072 14.245 14.245 457 1HB GLN 53 HB2 GLN 53 27.265 13.429 13.429 458 2HB GLN 53 HB1 GLN 53 28.209 12.234 12.234 459 1HG GLN 53 HG2 GLN 53 26.759 12.279 12.279 460 2HG GLN 53 HG1 GLN 53 26.825 14.041 14.041 461 1HE2 GLN 53 HE22 GLN 53 24.015 14.458 14.458 462 2HE2 GLN 53 HE21 GLN 53 25.485 15.176 15.176 463 H SER 54 HN SER 54 28.791 13.988 13.988 464 HA SER 54 HA SER 54 30.903 14.520 14.520 465 1HB SER 54 HB2 SER 54 32.528 14.090 14.090 466 2HB SER 54 HB1 SER 54 31.937 12.444 12.444 467 HG SER 54 HG SER 54 33.731 12.353 12.353 468 H ARG 55 HN ARG 55 28.418 13.197 13.197 469 HA ARG 55 HA ARG 55 29.089 11.248 11.248 470 1HB ARG 55 HB2 ARG 55 27.782 9.383 9.383 471 2HB ARG 55 HB1 ARG 55 29.496 9.639 9.639 472 1HG ARG 55 HG2 ARG 55 29.048 10.172 10.172 473 2HG ARG 55 HG1 ARG 55 27.923 11.436 11.436 474 1HD ARG 55 HD2 ARG 55 26.443 10.056 10.056 475 2HD ARG 55 HD1 ARG 55 26.369 9.321 9.321 476 HE ARG 55 HE ARG 55 28.003 7.619 7.619 477 1HH1 ARG 55 HH11 ARG 55 28.946 8.916 8.916 478 2HH1 ARG 55 HH12 ARG 55 27.989 8.154 8.154 479 1HH2 ARG 55 HH21 ARG 55 25.626 6.937 6.937 480 2HH2 ARG 55 HH22 ARG 55 26.109 7.037 7.037 481 H LEU 56 HN LEU 56 26.324 11.438 11.438 482 HA LEU 56 HA LEU 56 24.359 11.113 11.113 483 1HB LEU 56 HB2 LEU 56 22.767 11.864 11.864 484 2HB LEU 56 HB1 LEU 56 23.995 10.915 10.915 485 HG LEU 56 HG LEU 56 23.803 12.711 12.711 486 1HD1 LEU 56 HD13 LEU 56 25.842 13.578 13.578 487 2HD1 LEU 56 HD12 LEU 56 25.653 14.326 14.326 488 3HD1 LEU 56 HD11 LEU 56 26.128 12.642 12.642 489 1HD2 LEU 56 HD23 LEU 56 22.283 13.862 13.862 490 2HD2 LEU 56 HD22 LEU 56 22.971 14.796 14.796 491 3HD2 LEU 56 HD21 LEU 56 23.739 14.826 14.826 492 H SER 57 HN SER 57 22.632 13.191 13.191 493 HA SER 57 HA SER 57 23.593 15.793 15.793 494 1HB SER 57 HB2 SER 57 22.785 15.271 15.271 495 2HB SER 57 HB1 SER 57 24.403 15.680 15.680 496 HG SER 57 HG SER 57 24.956 13.707 13.707 497 HA PRO 58 HA PRO 58 19.041 15.499 15.499 498 1HB PRO 58 HB2 PRO 58 17.993 13.008 13.008 499 2HB PRO 58 HB1 PRO 58 18.768 14.002 14.002 500 1HG PRO 58 HG2 PRO 58 19.829 11.594 11.594 501 2HG PRO 58 HG1 PRO 58 20.208 12.198 12.198 502 1HD PRO 58 HD2 PRO 58 21.828 12.525 12.525 503 2HD PRO 58 HD1 PRO 58 21.975 13.433 13.433 504 H GLU 59 HN GLU 59 17.810 15.868 15.868 505 HA GLU 59 HA GLU 59 16.885 15.601 15.601 506 1HB GLU 59 HB2 GLU 59 16.485 13.088 13.088 507 2HB GLU 59 HB1 GLU 59 16.376 12.915 12.915 508 1HG GLU 59 HG2 GLU 59 14.899 15.112 15.112 509 2HG GLU 59 HG1 GLU 59 14.661 14.515 14.515 510 H GLU 60 HN GLU 60 17.141 14.183 14.183 511 HA GLU 60 HA GLU 60 19.225 12.507 12.507 512 1HB GLU 60 HB2 GLU 60 21.012 13.744 13.744 513 2HB GLU 60 HB1 GLU 60 20.212 15.284 15.284 514 1HG GLU 60 HG2 GLU 60 22.050 15.041 15.041 515 2HG GLU 60 HG1 GLU 60 20.521 14.962 14.962 516 HA PRO 61 HA PRO 61 18.082 15.004 15.004 517 1HB PRO 61 HB2 PRO 61 16.688 17.345 17.345 518 2HB PRO 61 HB1 PRO 61 18.458 17.262 17.262 519 1HG PRO 61 HG2 PRO 61 16.639 17.661 17.661 520 2HG PRO 61 HG1 PRO 61 18.324 18.165 18.165 521 1HD PRO 61 HD2 PRO 61 17.422 15.928 15.928 522 2HD PRO 61 HD1 PRO 61 19.099 16.279 16.279 523 H ALA 62 HN ALA 62 16.160 14.640 14.640 524 HA ALA 62 HA ALA 62 13.504 14.979 14.979 525 1HB ALA 62 HB1 ALA 62 14.774 12.842 12.842 526 2HB ALA 62 HB3 ALA 62 13.487 12.188 12.188 527 3HB ALA 62 HB2 ALA 62 13.129 13.461 13.461 528 HA PRO 63 HA PRO 63 14.150 13.254 13.254 529 1HB PRO 63 HB2 PRO 63 12.916 15.353 15.353 530 2HB PRO 63 HB1 PRO 63 14.640 15.333 15.333 531 1HG PRO 63 HG2 PRO 63 12.429 16.864 16.864 532 2HG PRO 63 HG1 PRO 63 14.163 17.217 17.217 533 1HD PRO 63 HD2 PRO 63 12.717 16.087 16.087 534 2HD PRO 63 HD1 PRO 63 14.482 16.213 16.213 535 H GLU 64 HN GLU 64 12.150 13.465 13.465 536 HA GLU 64 HA GLU 64 9.895 12.135 12.135 537 1HB GLU 64 HB2 GLU 64 9.193 11.457 11.457 538 2HB GLU 64 HB1 GLU 64 10.938 11.216 11.216 539 1HG GLU 64 HG2 GLU 64 10.368 13.912 13.912 540 2HG GLU 64 HG1 GLU 64 9.537 12.759 12.759 541 H THR 65 HN THR 65 9.764 14.664 14.664 542 HA THR 65 HA THR 65 8.340 16.435 16.435 543 HB THR 65 HB THR 65 8.098 17.883 17.883 544 HG1 THR 65 HG1 THR 65 8.931 15.759 15.759 545 1HG2 THR 65 HG21 THR 65 10.528 16.916 16.916 546 2HG2 THR 65 HG23 THR 65 10.621 16.668 16.668 547 3HG2 THR 65 HG22 THR 65 10.315 18.281 18.281 548 HA PRO 66 HA PRO 66 4.332 14.660 14.660 549 1HB PRO 66 HB2 PRO 66 2.905 16.719 16.719 550 2HB PRO 66 HB1 PRO 66 3.816 15.526 15.526 551 1HG PRO 66 HG2 PRO 66 4.485 18.375 18.375 552 2HG PRO 66 HG1 PRO 66 4.980 17.356 17.356 553 1HD PRO 66 HD2 PRO 66 6.570 18.016 18.016 554 2HD PRO 66 HD1 PRO 66 6.933 16.766 16.766 555 H GLU 67 HN GLU 67 2.449 14.999 14.999 556 HA GLU 67 HA GLU 67 2.393 17.506 17.506 557 1HB GLU 67 HB2 GLU 67 3.613 15.214 15.214 558 2HB GLU 67 HB1 GLU 67 1.996 15.162 15.162 559 1HG GLU 67 HG2 GLU 67 2.436 16.896 16.896 560 2HG GLU 67 HG1 GLU 67 3.122 17.852 17.852 561 H ALA 68 HN ALA 68 0.408 17.790 17.790 562 HA ALA 68 HA ALA 68 -1.933 17.749 17.749 563 1HB ALA 68 HB2 ALA 68 -1.332 16.776 16.776 564 2HB ALA 68 HB1 ALA 68 -2.891 16.240 16.240 565 3HB ALA 68 HB3 ALA 68 -2.524 17.963 17.963 566 HA PRO 69 HA PRO 69 -1.657 13.411 13.411 567 1HB PRO 69 HB2 PRO 69 -1.630 14.114 14.114 568 2HB PRO 69 HB1 PRO 69 -0.160 13.921 13.921 569 1HG PRO 69 HG2 PRO 69 -1.465 16.427 16.427 570 2HG PRO 69 HG1 PRO 69 0.235 16.129 16.129 571 1HD PRO 69 HD2 PRO 69 -1.651 17.452 17.452 572 2HD PRO 69 HD1 PRO 69 -0.054 16.862 16.862 573 H GLU 70 HN GLU 70 -3.162 12.800 12.800 574 HA GLU 70 HA GLU 70 -5.832 13.987 13.987 575 1HB GLU 70 HB2 GLU 70 -5.088 11.216 11.216 576 2HB GLU 70 HB1 GLU 70 -6.746 11.807 11.807 577 1HG GLU 70 HG2 GLU 70 -6.800 11.239 11.239 578 2HG GLU 70 HG1 GLU 70 -5.505 12.396 12.396 579 H ALA 71 HN ALA 71 -4.643 15.554 15.554 580 HA ALA 71 HA ALA 71 -4.473 14.861 14.861 581 1HB ALA 71 HB3 ALA 71 -4.174 17.183 17.183 582 2HB ALA 71 HB2 ALA 71 -5.624 17.526 17.526 583 3HB ALA 71 HB1 ALA 71 -4.123 17.085 17.085 584 HA PRO 72 HA PRO 72 -8.709 14.155 14.155 585 1HB PRO 72 HB2 PRO 72 -8.389 14.161 14.161 586 2HB PRO 72 HB1 PRO 72 -7.911 12.806 12.806 587 1HG PRO 72 HG2 PRO 72 -6.190 14.827 14.827 588 2HG PRO 72 HG1 PRO 72 -5.799 13.173 13.173 589 1HD PRO 72 HD2 PRO 72 -5.059 15.544 15.544 590 2HD PRO 72 HD1 PRO 72 -4.947 13.888 13.888 591 H GLY 73 HN GLY 73 -9.948 15.994 15.994 592 1HA GLY 73 HA2 GLY 73 -11.001 18.063 18.063 593 2HA GLY 73 HA1 GLY 73 -10.779 17.733 17.733 594 H GLY 74 HN GLY 74 -10.378 20.087 20.087 595 1HA GLY 74 HA2 GLY 74 -7.500 20.669 20.669 596 2HA GLY 74 HA1 GLY 74 -8.669 21.811 21.811 597 H SER 75 HN SER 75 -9.771 20.308 20.308 598 HA SER 75 HA SER 75 -8.519 22.079 22.079 599 1HB SER 75 HB2 SER 75 -11.336 22.708 22.708 600 2HB SER 75 HB1 SER 75 -10.608 23.364 23.364 601 HG SER 75 HG SER 75 -10.002 24.849 24.849 602 H ALA 76 HN ALA 76 -8.703 21.093 21.093 603 HA ALA 76 HA ALA 76 -10.292 18.670 18.670 604 1HB ALA 76 HB1 ALA 76 -8.013 19.370 19.370 605 2HB ALA 76 HB3 ALA 76 -9.097 20.033 20.033 606 3HB ALA 76 HB2 ALA 76 -9.155 18.315 18.315 607 H VAL 77 HN VAL 77 -10.688 22.026 22.026 608 HA VAL 77 HA VAL 77 -13.505 21.660 21.660 609 HB VAL 77 HB VAL 77 -12.381 20.715 20.715 610 1HG1 VAL 77 HG11 VAL 77 -11.785 23.667 23.667 611 2HG1 VAL 77 HG13 VAL 77 -11.675 22.474 22.474 612 3HG1 VAL 77 HG12 VAL 77 -10.605 22.361 22.361 613 1HG2 VAL 77 HG21 VAL 77 -14.346 23.018 23.018 614 2HG2 VAL 77 HG23 VAL 77 -14.716 21.296 21.296 615 3HG2 VAL 77 HG22 VAL 77 -13.986 21.990 21.990 616 1H ACE 0 HA1 ACE 0 10.828 -19.486 -19.486 617 2H ACE 0 HA2 ACE 0 12.215 -18.401 -18.401 618 3H ACE 0 HA3 ACE 0 11.385 -18.886 -18.886 619 H MET 1 HN MET 1 11.370 -16.386 -16.386 620 HA MET 1 HA MET 1 9.193 -15.179 -15.179 621 1HB MET 1 HB2 MET 1 11.422 -14.110 -14.110 622 2HB MET 1 HB1 MET 1 9.993 -13.108 -13.108 623 1HG MET 1 HG2 MET 1 10.407 -13.893 -13.893 624 2HG MET 1 HG1 MET 1 12.067 -13.984 -13.984 625 1HE MET 1 HE1 MET 1 11.631 -12.597 -12.597 626 2HE MET 1 HE3 MET 1 12.913 -11.490 -11.490 627 3HE MET 1 HE2 MET 1 11.358 -10.857 -10.857 628 H ASP 2 HN ASP 2 7.973 -16.952 -16.952 629 HA ASP 2 HA ASP 2 6.798 -15.331 -15.331 630 1HB ASP 2 HB2 ASP 2 8.204 -17.879 -17.879 631 2HB ASP 2 HB1 ASP 2 6.559 -17.983 -17.983 632 H LEU 3 HN LEU 3 6.388 -18.262 -18.262 633 HA LEU 3 HA LEU 3 3.498 -18.259 -18.259 634 1HB LEU 3 HB2 LEU 3 3.492 -20.097 -20.097 635 2HB LEU 3 HB1 LEU 3 4.857 -20.324 -20.324 636 HG LEU 3 HG LEU 3 5.517 -18.695 -18.695 637 1HD1 LEU 3 HD12 LEU 3 4.019 -21.171 -21.171 638 2HD1 LEU 3 HD11 LEU 3 5.623 -21.271 -21.271 639 3HD1 LEU 3 HD13 LEU 3 4.515 -19.985 -19.985 640 1HD2 LEU 3 HD22 LEU 3 6.640 -21.097 -21.097 641 2HD2 LEU 3 HD21 LEU 3 7.300 -19.463 -19.463 642 3HD2 LEU 3 HD23 LEU 3 7.353 -20.510 -20.510 643 H VAL 4 HN VAL 4 5.684 -16.560 -16.560 644 HA VAL 4 HA VAL 4 3.876 -16.151 -16.151 645 HB VAL 4 HB VAL 4 5.507 -14.566 -14.566 646 1HG1 VAL 4 HG11 VAL 4 6.553 -17.028 -17.028 647 2HG1 VAL 4 HG13 VAL 4 7.706 -15.902 -15.902 648 3HG1 VAL 4 HG12 VAL 4 6.463 -16.649 -16.649 649 1HG2 VAL 4 HG22 VAL 4 6.325 -14.518 -14.518 650 2HG2 VAL 4 HG21 VAL 4 5.941 -13.162 -13.162 651 3HG2 VAL 4 HG23 VAL 4 7.461 -14.032 -14.032 652 H LYS 5 HN LYS 5 4.580 -14.528 -14.528 653 HA LYS 5 HA LYS 5 2.565 -12.442 -12.442 654 1HB LYS 5 HB2 LYS 5 5.089 -12.367 -12.367 655 2HB LYS 5 HB1 LYS 5 3.797 -11.811 -11.811 656 1HG LYS 5 HG2 LYS 5 3.055 -10.200 -10.200 657 2HG LYS 5 HG1 LYS 5 4.266 -10.794 -10.794 658 1HD LYS 5 HD2 LYS 5 5.053 -9.744 -9.744 659 2HD LYS 5 HD1 LYS 5 4.842 -8.661 -8.661 660 1HE LYS 5 HE2 LYS 5 6.505 -9.920 -9.920 661 2HE LYS 5 HE1 LYS 5 6.684 -11.070 -11.070 662 1HZ LYS 5 HZ3 LYS 5 7.241 -8.159 -8.159 663 2HZ LYS 5 HZ2 LYS 5 8.422 -9.367 -9.367 664 3HZ LYS 5 HZ1 LYS 5 7.482 -9.308 -9.308 665 H ASN 6 HN ASN 6 1.541 -14.955 -14.955 666 HA ASN 6 HA ASN 6 0.157 -14.363 -14.363 667 1HB ASN 6 HB2 ASN 6 2.189 -16.237 -16.237 668 2HB ASN 6 HB1 ASN 6 0.746 -17.218 -17.218 669 1HD2 ASN 6 HD22 ASN 6 1.561 -16.124 -16.124 670 2HD2 ASN 6 HD21 ASN 6 2.691 -16.223 -16.223 671 H HIS 7 HN HIS 7 0.304 -16.556 -16.556 672 HA HIS 7 HA HIS 7 -2.367 -17.447 -17.447 673 1HB HIS 7 HB2 HIS 7 -2.204 -17.650 -17.650 674 2HB HIS 7 HB1 HIS 7 -1.267 -18.704 -18.704 675 HD1 HIS 7 HD1 HIS 7 0.269 -18.891 -18.891 676 HD2 HIS 7 HD2 HIS 7 0.392 -15.215 -15.215 677 HE1 HIS 7 HE1 HIS 7 2.323 -17.687 -17.687 678 H LEU 8 HN LEU 8 -1.094 -14.552 -14.552 679 HA LEU 8 HA LEU 8 -2.309 -12.908 -12.908 680 1HB LEU 8 HB2 LEU 8 -2.994 -12.619 -12.619 681 2HB LEU 8 HB1 LEU 8 -3.350 -11.379 -11.379 682 HG LEU 8 HG LEU 8 -0.911 -11.439 -11.439 683 1HD1 LEU 8 HD11 LEU 8 -1.051 -13.591 -13.591 684 2HD1 LEU 8 HD13 LEU 8 0.210 -12.433 -12.433 685 3HD1 LEU 8 HD12 LEU 8 0.213 -13.234 -13.234 686 1HD2 LEU 8 HD23 LEU 8 -2.161 -9.991 -9.991 687 2HD2 LEU 8 HD22 LEU 8 -0.452 -9.794 -9.794 688 3HD2 LEU 8 HD21 LEU 8 -0.935 -10.796 -10.796 689 H MET 9 HN MET 9 -4.723 -14.011 -14.011 690 HA MET 9 HA MET 9 -6.976 -13.167 -13.167 691 1HB MET 9 HB2 MET 9 -6.896 -15.912 -15.912 692 2HB MET 9 HB1 MET 9 -8.265 -14.804 -14.804 693 1HG MET 9 HG2 MET 9 -6.800 -13.179 -13.179 694 2HG MET 9 HG1 MET 9 -5.830 -14.603 -14.603 695 1HE MET 9 HE1 MET 9 -6.096 -14.762 -14.762 696 2HE MET 9 HE3 MET 9 -6.391 -16.354 -16.354 697 3HE MET 9 HE2 MET 9 -7.380 -15.791 -15.791 698 H TYR 10 HN TYR 10 -4.728 -15.682 -15.682 699 HA TYR 10 HA TYR 10 -6.326 -17.005 -17.005 700 1HB TYR 10 HB2 TYR 10 -4.532 -18.478 -18.478 701 2HB TYR 10 HB1 TYR 10 -4.184 -17.790 -17.790 702 HD1 TYR 10 HD2 TYR 10 -2.677 -15.515 -15.515 703 HD2 TYR 10 HD1 TYR 10 -2.826 -18.496 -18.496 704 HE1 TYR 10 HE2 TYR 10 -0.489 -14.751 -14.751 705 HE2 TYR 10 HE1 TYR 10 -0.633 -17.729 -17.729 706 HH TYR 10 HH TYR 10 1.215 -15.233 -15.233 707 H ALA 11 HN ALA 11 -3.862 -14.614 -14.614 708 HA ALA 11 HA ALA 11 -4.417 -13.312 -13.312 709 1HB ALA 11 HB3 ALA 11 -2.426 -15.392 -15.392 710 2HB ALA 11 HB2 ALA 11 -1.623 -13.844 -13.844 711 3HB ALA 11 HB1 ALA 11 -2.840 -14.404 -14.404 712 H VAL 12 HN VAL 12 -4.738 -11.831 -11.831 713 HA VAL 12 HA VAL 12 -2.941 -11.076 -11.076 714 HB VAL 12 HB VAL 12 -5.024 -9.879 -9.879 715 1HG1 VAL 12 HG13 VAL 12 -5.007 -9.968 -9.968 716 2HG1 VAL 12 HG12 VAL 12 -3.905 -8.592 -8.592 717 3HG1 VAL 12 HG11 VAL 12 -5.535 -8.426 -8.426 718 1HG2 VAL 12 HG22 VAL 12 -3.019 -8.679 -8.679 719 2HG2 VAL 12 HG21 VAL 12 -4.274 -7.610 -7.610 720 3HG2 VAL 12 HG23 VAL 12 -2.806 -7.887 -7.887 721 H ARG 13 HN ARG 13 -0.801 -11.399 -11.399 722 HA ARG 13 HA ARG 13 0.363 -9.661 -9.661 723 1HB ARG 13 HB2 ARG 13 0.772 -12.429 -12.429 724 2HB ARG 13 HB1 ARG 13 2.287 -11.530 -11.530 725 1HG ARG 13 HG2 ARG 13 1.823 -10.893 -10.893 726 2HG ARG 13 HG1 ARG 13 0.219 -11.619 -11.619 727 1HD ARG 13 HD2 ARG 13 1.220 -13.471 -13.471 728 2HD ARG 13 HD1 ARG 13 1.841 -13.702 -13.702 729 HE ARG 13 HE ARG 13 3.514 -11.957 -11.957 730 1HH1 ARG 13 HH21 ARG 13 3.885 -14.279 -14.279 731 2HH1 ARG 13 HH22 ARG 13 4.943 -15.309 -15.309 732 1HH2 ARG 13 HH11 ARG 13 4.398 -13.670 -13.670 733 2HH2 ARG 13 HH12 ARG 13 5.231 -14.965 -14.965 734 H GLU 14 HN GLU 14 -0.068 -8.206 -8.206 735 HA GLU 14 HA GLU 14 2.665 -7.897 -7.897 736 1HB GLU 14 HB2 GLU 14 1.375 -9.241 -9.241 737 2HB GLU 14 HB1 GLU 14 0.156 -7.968 -7.968 738 1HG GLU 14 HG2 GLU 14 1.763 -6.382 -6.382 739 2HG GLU 14 HG1 GLU 14 3.085 -7.529 -7.529 740 H GLU 15 HN GLU 15 -0.600 -6.561 -6.561 741 HA GLU 15 HA GLU 15 0.645 -3.838 -3.838 742 1HB GLU 15 HB2 GLU 15 -2.241 -4.169 -4.169 743 2HB GLU 15 HB1 GLU 15 -1.078 -2.973 -2.973 744 1HG GLU 15 HG2 GLU 15 0.056 -5.187 -5.187 745 2HG GLU 15 HG1 GLU 15 -1.626 -5.715 -5.715 746 H VAL 16 HN VAL 16 -1.300 -2.308 -2.308 747 HA VAL 16 HA VAL 16 -2.487 -1.718 -1.718 748 HB VAL 16 HB VAL 16 -2.690 -4.714 -4.714 749 1HG1 VAL 16 HG12 VAL 16 -3.500 -2.415 -2.415 750 2HG1 VAL 16 HG11 VAL 16 -4.908 -3.346 -3.346 751 3HG1 VAL 16 HG13 VAL 16 -3.618 -4.129 -4.129 752 1HG2 VAL 16 HG21 VAL 16 -4.389 -2.715 -2.715 753 2HG2 VAL 16 HG23 VAL 16 -3.728 -4.241 -4.241 754 3HG2 VAL 16 HG22 VAL 16 -5.046 -4.244 -4.244 755 H GLU 17 HN GLU 17 -1.073 -4.694 -4.694 756 HA GLU 17 HA GLU 17 0.055 -3.239 -3.239 757 1HB GLU 17 HB2 GLU 17 -0.411 -5.954 -5.954 758 2HB GLU 17 HB1 GLU 17 1.319 -5.801 -5.801 759 1HG GLU 17 HG2 GLU 17 0.828 -4.683 -4.683 760 2HG GLU 17 HG1 GLU 17 -0.902 -4.842 -4.842 761 H ILE 18 HN ILE 18 1.246 -4.071 -4.071 762 HA ILE 18 HA ILE 18 4.060 -3.861 -3.861 763 HB ILE 18 HB ILE 18 2.454 -3.787 -3.787 764 1HG1 ILE 18 HG12 ILE 18 3.541 -5.874 -5.874 765 2HG1 ILE 18 HG11 ILE 18 4.730 -5.594 -5.594 766 1HG2 ILE 18 HG23 ILE 18 5.126 -2.679 -2.679 767 2HG2 ILE 18 HG22 ILE 18 5.119 -3.955 -3.955 768 3HG2 ILE 18 HG21 ILE 18 4.078 -2.544 -2.544 769 1HD1 ILE 18 HD12 ILE 18 1.761 -5.828 -5.828 770 2HD1 ILE 18 HD11 ILE 18 2.864 -7.203 -7.203 771 3HD1 ILE 18 HD13 ILE 18 3.075 -5.848 -5.848 772 H LEU 19 HN LEU 19 1.530 -1.584 -1.584 773 HA LEU 19 HA LEU 19 3.469 0.630 0.630 774 1HB LEU 19 HB2 LEU 19 0.478 0.387 0.387 775 2HB LEU 19 HB1 LEU 19 1.260 1.966 1.966 776 HG LEU 19 HG LEU 19 0.931 1.033 1.033 777 1HD1 LEU 19 HD12 LEU 19 2.913 2.583 2.583 778 2HD1 LEU 19 HD11 LEU 19 3.863 1.278 1.278 779 3HD1 LEU 19 HD13 LEU 19 2.762 2.217 2.217 780 1HD2 LEU 19 HD23 LEU 19 1.521 -1.324 -1.324 781 2HD2 LEU 19 HD22 LEU 19 2.419 -0.740 -0.740 782 3HD2 LEU 19 HD21 LEU 19 3.195 -0.799 -0.799 783 H LYS 20 HN LYS 20 1.112 -0.628 -0.628 784 HA LYS 20 HA LYS 20 1.177 1.663 1.663 785 1HB LYS 20 HB2 LYS 20 -0.641 -0.125 -0.125 786 2HB LYS 20 HB1 LYS 20 0.485 -1.188 -1.188 787 1HG LYS 20 HG2 LYS 20 0.652 0.452 0.452 788 2HG LYS 20 HG1 LYS 20 -0.485 1.507 1.507 789 1HD LYS 20 HD2 LYS 20 -2.285 0.034 0.034 790 2HD LYS 20 HD1 LYS 20 -1.227 -1.347 -1.347 791 1HE LYS 20 HE2 LYS 20 -1.086 0.983 0.983 792 2HE LYS 20 HE1 LYS 20 -2.436 -0.145 -0.145 793 1HZ LYS 20 HZ2 LYS 20 0.019 -1.531 -1.531 794 2HZ LYS 20 HZ1 LYS 20 0.111 -0.475 -0.475 795 3HZ LYS 20 HZ3 LYS 20 -1.114 -1.645 -1.645 796 H GLU 21 HN GLU 21 3.026 -1.290 -1.290 797 HA GLU 21 HA GLU 21 4.451 -0.992 -0.992 798 1HB GLU 21 HB2 GLU 21 4.078 -3.099 -3.099 799 2HB GLU 21 HB1 GLU 21 5.682 -2.575 -2.575 800 1HG GLU 21 HG2 GLU 21 5.095 -2.817 -2.817 801 2HG GLU 21 HG1 GLU 21 5.425 -4.278 -4.278 802 H GLN 22 HN GLN 22 4.873 0.035 0.035 803 HA GLN 22 HA GLN 22 7.654 0.827 0.827 804 1HB GLN 22 HB2 GLN 22 5.774 0.679 0.679 805 2HB GLN 22 HB1 GLN 22 6.304 2.359 2.359 806 1HG GLN 22 HG2 GLN 22 8.390 1.856 1.856 807 2HG GLN 22 HG1 GLN 22 8.498 0.439 0.439 808 1HE2 GLN 22 HE22 GLN 22 8.483 -1.070 -1.070 809 2HE2 GLN 22 HE21 GLN 22 9.550 -0.304 -0.304 810 H ILE 23 HN ILE 23 4.514 2.483 2.483 811 HA ILE 23 HA ILE 23 5.718 5.065 5.065 812 HB ILE 23 HB ILE 23 3.412 5.797 5.797 813 1HG1 ILE 23 HG12 ILE 23 2.360 3.068 3.068 814 2HG1 ILE 23 HG11 ILE 23 2.941 3.372 3.372 815 1HG2 ILE 23 HG22 ILE 23 4.264 5.477 5.477 816 2HG2 ILE 23 HG21 ILE 23 3.482 3.897 3.897 817 3HG2 ILE 23 HG23 ILE 23 2.510 5.360 5.360 818 1HD1 ILE 23 HD13 ILE 23 1.473 5.612 5.612 819 2HD1 ILE 23 HD12 ILE 23 0.576 4.488 4.488 820 3HD1 ILE 23 HD11 ILE 23 0.805 4.134 4.134 821 H ARG 24 HN ARG 24 4.661 2.272 2.272 822 HA ARG 24 HA ARG 24 4.513 3.632 3.632 823 1HB ARG 24 HB2 ARG 24 4.327 0.833 0.833 824 2HB ARG 24 HB1 ARG 24 4.884 1.036 1.036 825 1HG ARG 24 HG2 ARG 24 2.422 2.451 2.451 826 2HG ARG 24 HG1 ARG 24 2.345 0.825 0.825 827 1HD ARG 24 HD2 ARG 24 3.680 1.870 1.870 828 2HD ARG 24 HD1 ARG 24 3.086 3.405 3.405 829 HE ARG 24 HE ARG 24 0.869 1.644 1.644 830 1HH1 ARG 24 HH11 ARG 24 2.150 0.835 0.835 831 2HH1 ARG 24 HH12 ARG 24 1.561 2.021 2.021 832 1HH2 ARG 24 HH21 ARG 24 0.558 4.235 4.235 833 2HH2 ARG 24 HH22 ARG 24 0.663 3.948 3.948 834 H GLU 25 HN GLU 25 6.926 1.752 1.752 835 HA GLU 25 HA GLU 25 8.875 1.832 1.832 836 1HB GLU 25 HB2 GLU 25 10.377 0.778 0.778 837 2HB GLU 25 HB1 GLU 25 8.785 0.063 0.063 838 1HG GLU 25 HG2 GLU 25 8.415 1.728 1.728 839 2HG GLU 25 HG1 GLU 25 10.088 2.250 2.250 840 H LEU 26 HN LEU 26 8.087 3.770 3.770 841 HA LEU 26 HA LEU 26 10.515 5.385 5.385 842 1HB LEU 26 HB2 LEU 26 8.259 5.130 5.130 843 2HB LEU 26 HB1 LEU 26 8.489 6.825 6.825 844 HG LEU 26 HG LEU 26 9.847 6.323 6.323 845 1HD1 LEU 26 HD13 LEU 26 10.730 7.633 7.633 846 2HD1 LEU 26 HD12 LEU 26 11.889 6.305 6.305 847 3HD1 LEU 26 HD11 LEU 26 11.779 7.341 7.341 848 1HD2 LEU 26 HD21 LEU 26 10.443 3.904 3.904 849 2HD2 LEU 26 HD23 LEU 26 10.440 4.129 4.129 850 3HD2 LEU 26 HD22 LEU 26 11.846 4.613 4.613 851 H VAL 27 HN VAL 27 7.266 5.463 5.463 852 HA VAL 27 HA VAL 27 7.524 8.195 8.195 853 HB VAL 27 HB VAL 27 5.459 6.004 6.004 854 1HG1 VAL 27 HG13 VAL 27 5.573 8.690 8.690 855 2HG1 VAL 27 HG12 VAL 27 4.140 7.665 7.665 856 3HG1 VAL 27 HG11 VAL 27 5.586 7.102 7.102 857 1HG2 VAL 27 HG21 VAL 27 5.521 8.772 8.772 858 2HG2 VAL 27 HG23 VAL 27 5.309 7.232 7.232 859 3HG2 VAL 27 HG22 VAL 27 4.034 7.847 7.847 860 H GLU 28 HN GLU 28 8.110 4.925 4.925 861 HA GLU 28 HA GLU 28 8.366 5.621 5.621 862 1HB GLU 28 HB2 GLU 28 8.587 3.185 3.185 863 2HB GLU 28 HB1 GLU 28 9.705 3.242 3.242 864 1HG GLU 28 HG2 GLU 28 8.020 3.177 3.177 865 2HG GLU 28 HG1 GLU 28 6.887 4.048 4.048 866 H LYS 29 HN LYS 29 10.445 5.266 5.266 867 HA LYS 29 HA LYS 29 12.919 5.562 5.562 868 1HB LYS 29 HB2 LYS 29 12.141 5.261 5.261 869 2HB LYS 29 HB1 LYS 29 13.606 6.199 6.199 870 1HG LYS 29 HG2 LYS 29 13.079 3.442 3.442 871 2HG LYS 29 HG1 LYS 29 14.069 3.760 3.760 872 1HD LYS 29 HD2 LYS 29 15.028 5.529 5.529 873 2HD LYS 29 HD1 LYS 29 14.777 4.001 4.001 874 1HE LYS 29 HE2 LYS 29 16.711 3.270 3.270 875 2HE LYS 29 HE1 LYS 29 15.934 3.311 3.311 876 1HZ LYS 29 HZ3 LYS 29 16.540 5.712 5.712 877 2HZ LYS 29 HZ2 LYS 29 17.475 5.480 5.480 878 3HZ LYS 29 HZ1 LYS 29 17.865 4.653 4.653 879 H ASN 30 HN ASN 30 10.717 7.623 7.623 880 HA ASN 30 HA ASN 30 12.362 10.001 10.001 881 1HB ASN 30 HB2 ASN 30 10.638 9.924 9.924 882 2HB ASN 30 HB1 ASN 30 9.397 9.580 9.580 883 1HD2 ASN 30 HD22 ASN 30 10.921 13.405 13.405 884 2HD2 ASN 30 HD21 ASN 30 11.899 12.107 12.107 885 H SER 31 HN SER 31 9.869 8.516 8.516 886 HA SER 31 HA SER 31 9.609 10.734 10.734 887 1HB SER 31 HB2 SER 31 8.044 8.644 8.644 888 2HB SER 31 HB1 SER 31 9.102 7.881 7.881 889 HG SER 31 HG SER 31 7.387 8.897 8.897 890 H GLN 32 HN GLN 32 11.606 7.818 7.818 891 HA GLN 32 HA GLN 32 12.801 8.128 8.128 892 1HB GLN 32 HB2 GLN 32 12.880 5.996 5.996 893 2HB GLN 32 HB1 GLN 32 13.916 6.772 6.772 894 1HG GLN 32 HG2 GLN 32 15.743 6.474 6.474 895 2HG GLN 32 HG1 GLN 32 14.943 7.195 7.195 896 1HE2 GLN 32 HE22 GLN 32 15.435 3.818 3.818 897 2HE2 GLN 32 HE21 GLN 32 16.232 5.313 5.313 898 H LEU 33 HN LEU 33 13.443 9.401 9.401 899 HA LEU 33 HA LEU 33 15.981 10.632 10.632 900 1HB LEU 33 HB2 LEU 33 14.482 10.241 10.241 901 2HB LEU 33 HB1 LEU 33 15.259 11.822 11.822 902 HG LEU 33 HG LEU 33 17.188 10.070 10.070 903 1HD1 LEU 33 HD13 LEU 33 15.523 8.799 8.799 904 2HD1 LEU 33 HD12 LEU 33 17.265 8.523 8.523 905 3HD1 LEU 33 HD11 LEU 33 16.284 8.054 8.054 906 1HD2 LEU 33 HD22 LEU 33 16.678 11.644 11.644 907 2HD2 LEU 33 HD21 LEU 33 18.048 11.703 11.703 908 3HD2 LEU 33 HD23 LEU 33 17.951 10.430 10.430 909 H GLU 34 HN GLU 34 12.630 11.395 11.395 910 HA GLU 34 HA GLU 34 13.013 14.301 14.301 911 1HB GLU 34 HB2 GLU 34 10.805 12.517 12.517 912 2HB GLU 34 HB1 GLU 34 10.514 13.516 13.516 913 1HG GLU 34 HG2 GLU 34 11.159 15.521 15.521 914 2HG GLU 34 HG1 GLU 34 11.014 14.427 14.427 915 H ARG 35 HN ARG 35 12.599 11.696 11.696 916 HA ARG 35 HA ARG 35 12.511 13.534 13.534 917 1HB ARG 35 HB2 ARG 35 11.454 11.203 11.203 918 2HB ARG 35 HB1 ARG 35 13.092 10.568 10.568 919 1HG ARG 35 HG2 ARG 35 13.323 12.064 12.064 920 2HG ARG 35 HG1 ARG 35 11.586 12.347 12.347 921 1HD ARG 35 HD2 ARG 35 11.143 10.365 10.365 922 2HD ARG 35 HD1 ARG 35 12.141 9.520 9.520 923 HE ARG 35 HE ARG 35 13.838 10.795 10.795 924 1HH1 ARG 35 HH11 ARG 35 11.365 9.309 9.309 925 2HH1 ARG 35 HH12 ARG 35 12.161 7.846 7.846 926 1HH2 ARG 35 HH21 ARG 35 14.973 8.431 8.431 927 2HH2 ARG 35 HH22 ARG 35 14.202 7.348 7.348 928 H GLU 36 HN GLU 36 14.936 11.688 11.688 929 HA GLU 36 HA GLU 36 17.007 12.203 12.203 930 1HB GLU 36 HB2 GLU 36 16.745 10.599 10.599 931 2HB GLU 36 HB1 GLU 36 18.279 11.469 11.469 932 1HG GLU 36 HG2 GLU 36 18.932 9.681 9.681 933 2HG GLU 36 HG1 GLU 36 18.158 10.594 10.594 934 H ASN 37 HN ASN 37 15.903 13.549 13.549 935 HA ASN 37 HA ASN 37 18.152 15.386 15.386 936 1HB ASN 37 HB2 ASN 37 16.727 14.563 14.563 937 2HB ASN 37 HB1 ASN 37 15.420 15.573 15.573 938 1HD2 ASN 37 HD22 ASN 37 16.860 18.609 18.609 939 2HD2 ASN 37 HD21 ASN 37 15.640 17.897 17.897 940 H THR 38 HN THR 38 14.926 15.453 15.453 941 HA THR 38 HA THR 38 14.939 18.324 18.324 942 HB THR 38 HB THR 38 13.286 16.145 16.145 943 HG1 THR 38 HG1 THR 38 13.288 16.806 16.806 944 1HG2 THR 38 HG23 THR 38 13.514 18.498 18.498 945 2HG2 THR 38 HG22 THR 38 12.555 19.051 19.051 946 3HG2 THR 38 HG21 THR 38 11.891 17.855 17.855 947 H LEU 39 HN LEU 39 15.877 15.432 15.432 948 HA LEU 39 HA LEU 39 16.364 16.892 16.892 949 1HB LEU 39 HB2 LEU 39 16.084 14.235 14.235 950 2HB LEU 39 HB1 LEU 39 17.836 14.365 14.365 951 HG LEU 39 HG LEU 39 16.823 13.850 13.850 952 1HD1 LEU 39 HD13 LEU 39 18.670 15.782 15.782 953 2HD1 LEU 39 HD12 LEU 39 17.445 16.727 16.727 954 3HD1 LEU 39 HD11 LEU 39 18.156 15.312 15.312 955 1HD2 LEU 39 HD21 LEU 39 14.914 15.860 15.860 956 2HD2 LEU 39 HD23 LEU 39 14.734 14.644 14.644 957 3HD2 LEU 39 HD22 LEU 39 15.486 16.196 16.196 958 H LEU 40 HN LEU 40 18.249 15.941 15.941 959 HA LEU 40 HA LEU 40 20.775 16.839 16.839 960 1HB LEU 40 HB2 LEU 40 19.895 15.691 15.691 961 2HB LEU 40 HB1 LEU 40 21.359 16.675 16.675 962 HG LEU 40 HG LEU 40 20.846 14.303 14.303 963 1HD1 LEU 40 HD13 LEU 40 22.208 14.653 14.653 964 2HD1 LEU 40 HD12 LEU 40 23.004 13.615 13.615 965 3HD1 LEU 40 HD11 LEU 40 21.363 13.248 13.248 966 1HD2 LEU 40 HD22 LEU 40 22.981 16.391 16.391 967 2HD2 LEU 40 HD21 LEU 40 22.313 15.589 15.589 968 3HD2 LEU 40 HD23 LEU 40 23.469 14.743 14.743 969 H LYS 41 HN LYS 41 18.155 18.194 18.194 970 HA LYS 41 HA LYS 41 19.643 20.554 20.554 971 1HB LYS 41 HB2 LYS 41 17.659 19.652 19.652 972 2HB LYS 41 HB1 LYS 41 16.643 20.110 20.110 973 1HG LYS 41 HG2 LYS 41 16.765 22.343 22.343 974 2HG LYS 41 HG1 LYS 41 18.432 22.233 22.233 975 1HD LYS 41 HD2 LYS 41 17.770 21.417 21.417 976 2HD LYS 41 HD1 LYS 41 16.140 21.044 21.044 977 1HE LYS 41 HE2 LYS 41 16.425 23.180 23.180 978 2HE LYS 41 HE1 LYS 41 15.530 23.334 23.334 979 1HZ LYS 41 HZ2 LYS 41 18.431 23.731 23.731 980 2HZ LYS 41 HZ1 LYS 41 17.467 24.969 24.969 981 3HZ LYS 41 HZ3 LYS 41 17.221 24.458 24.458 982 H THR 42 HN THR 42 17.563 19.615 19.615 983 HA THR 42 HA THR 42 17.410 22.342 22.342 984 HB THR 42 HB THR 42 16.765 19.824 19.824 985 HG1 THR 42 HG1 THR 42 14.642 20.100 20.100 986 1HG2 THR 42 HG21 THR 42 15.918 22.709 22.709 987 2HG2 THR 42 HG23 THR 42 14.876 21.466 21.466 988 3HG2 THR 42 HG22 THR 42 16.502 21.712 21.712 989 H LEU 43 HN LEU 43 19.295 19.412 19.412 990 HA LEU 43 HA LEU 43 20.614 20.395 20.395 991 1HB LEU 43 HB2 LEU 43 20.373 17.925 17.925 992 2HB LEU 43 HB1 LEU 43 21.996 18.361 18.361 993 HG LEU 43 HG LEU 43 22.193 19.148 19.148 994 1HD1 LEU 43 HD13 LEU 43 20.214 16.847 16.847 995 2HD1 LEU 43 HD12 LEU 43 21.030 17.513 17.513 996 3HD1 LEU 43 HD11 LEU 43 19.878 18.499 18.499 997 1HD2 LEU 43 HD22 LEU 43 23.035 16.933 16.933 998 2HD2 LEU 43 HD21 LEU 43 23.775 17.546 17.546 999 3HD2 LEU 43 HD23 LEU 43 22.542 16.289 16.289 1000 H ALA 44 HN ALA 44 21.411 20.245 20.245 1001 HA ALA 44 HA ALA 44 24.025 21.468 21.468 1002 1HB ALA 44 HB2 ALA 44 23.376 20.013 20.013 1003 2HB ALA 44 HB1 ALA 44 22.333 21.320 21.320 1004 3HB ALA 44 HB3 ALA 44 24.078 21.562 21.562 1005 H SER 45 HN SER 45 20.783 22.577 22.577 1006 HA SER 45 HA SER 45 21.688 25.373 25.373 1007 1HB SER 45 HB2 SER 45 19.572 24.899 24.899 1008 2HB SER 45 HB1 SER 45 20.764 26.191 26.191 1009 HG SER 45 HG SER 45 20.891 24.067 24.067 1010 HA PRO 46 HA PRO 46 17.968 24.251 24.251 1011 1HB PRO 46 HB2 PRO 46 19.027 25.082 25.082 1012 2HB PRO 46 HB1 PRO 46 19.229 23.445 23.445 1013 1HG PRO 46 HG2 PRO 46 21.212 25.668 25.668 1014 2HG PRO 46 HG1 PRO 46 21.487 23.918 23.918 1015 1HD PRO 46 HD2 PRO 46 21.771 25.692 25.692 1016 2HD PRO 46 HD1 PRO 46 21.735 23.917 23.917 1017 H GLU 47 HN GLU 47 19.750 26.918 26.918 1018 HA GLU 47 HA GLU 47 19.170 29.167 29.167 1019 1HB GLU 47 HB2 GLU 47 17.313 29.048 29.048 1020 2HB GLU 47 HB1 GLU 47 18.423 30.330 30.330 1021 1HG GLU 47 HG2 GLU 47 20.313 28.672 28.672 1022 2HG GLU 47 HG1 GLU 47 19.084 27.718 27.718 1023 H GLN 48 HN GLN 48 17.203 30.553 30.553 1024 HA GLN 48 HA GLN 48 14.564 29.801 29.801 1025 1HB GLN 48 HB2 GLN 48 16.155 27.989 27.989 1026 2HB GLN 48 HB1 GLN 48 15.043 28.896 28.896 1027 1HG GLN 48 HG2 GLN 48 13.606 28.155 28.155 1028 2HG GLN 48 HG1 GLN 48 14.447 26.715 26.715 1029 1HE2 GLN 48 HE22 GLN 48 11.566 26.428 26.428 1030 2HE2 GLN 48 HE21 GLN 48 12.263 25.878 25.878 1031 H LEU 49 HN LEU 49 14.685 32.112 32.112 1032 HA LEU 49 HA LEU 49 15.051 33.205 33.205 1033 1HB LEU 49 HB2 LEU 49 15.819 34.937 34.937 1034 2HB LEU 49 HB1 LEU 49 16.419 34.913 34.913 1035 HG LEU 49 HG LEU 49 17.525 32.679 32.679 1036 1HD1 LEU 49 HD13 LEU 49 16.218 32.371 32.371 1037 2HD1 LEU 49 HD12 LEU 49 17.203 33.664 33.664 1038 3HD1 LEU 49 HD11 LEU 49 17.957 32.168 32.168 1039 1HD2 LEU 49 HD22 LEU 49 18.424 35.179 35.179 1040 2HD2 LEU 49 HD21 LEU 49 19.435 33.829 33.829 1041 3HD2 LEU 49 HD23 LEU 49 18.603 34.821 34.821 1042 H GLU 50 HN GLU 50 14.311 35.473 35.473 1043 HA GLU 50 HA GLU 50 11.426 35.196 35.196 1044 1HB GLU 50 HB2 GLU 50 12.522 37.877 37.877 1045 2HB GLU 50 HB1 GLU 50 11.173 37.457 37.457 1046 1HG GLU 50 HG2 GLU 50 13.637 36.420 36.420 1047 2HG GLU 50 HG1 GLU 50 13.783 38.148 38.148 1048 H LYS 51 HN LYS 51 13.656 36.806 36.806 1049 HA LYS 51 HA LYS 51 12.112 35.462 35.462 1050 1HB LYS 51 HB2 LYS 51 11.378 37.438 37.438 1051 2HB LYS 51 HB1 LYS 51 10.887 37.475 37.475 1052 1HG LYS 51 HG2 LYS 51 13.355 38.888 38.888 1053 2HG LYS 51 HG1 LYS 51 11.794 39.671 39.671 1054 1HD LYS 51 HD2 LYS 51 12.329 40.104 40.104 1055 2HD LYS 51 HD1 LYS 51 12.166 38.378 38.378 1056 1HE LYS 51 HE2 LYS 51 14.626 38.232 38.232 1057 2HE LYS 51 HE1 LYS 51 14.669 39.962 39.962 1058 1HZ LYS 51 HZ1 LYS 51 13.720 39.269 39.269 1059 2HZ LYS 51 HZ3 LYS 51 14.348 37.740 37.740 1060 3HZ LYS 51 HZ2 LYS 51 15.381 39.085 39.085 1061 H PHE 52 HN PHE 52 13.469 34.850 34.850 1062 HA PHE 52 HA PHE 52 15.349 36.614 36.614 1063 1HB PHE 52 HB2 PHE 52 17.273 34.872 34.872 1064 2HB PHE 52 HB1 PHE 52 17.004 36.528 36.528 1065 HD1 PHE 52 HD2 PHE 52 15.637 33.078 33.078 1066 HD2 PHE 52 HD1 PHE 52 16.318 36.928 36.928 1067 HE1 PHE 52 HE2 PHE 52 14.643 32.317 32.317 1068 HE2 PHE 52 HE1 PHE 52 15.309 36.162 36.162 1069 HZ PHE 52 HZ PHE 52 14.466 33.818 33.818 1070 H GLN 53 HN GLN 53 14.449 33.329 33.329 1071 HA GLN 53 HA GLN 53 15.609 32.318 32.318 1072 1HB GLN 53 HB2 GLN 53 14.337 30.705 30.705 1073 2HB GLN 53 HB1 GLN 53 15.395 30.118 30.118 1074 1HG GLN 53 HG2 GLN 53 17.245 30.670 30.670 1075 2HG GLN 53 HG1 GLN 53 16.627 32.281 32.281 1076 1HE2 GLN 53 HE22 GLN 53 16.521 31.120 31.120 1077 2HE2 GLN 53 HE21 GLN 53 17.350 32.107 32.107 1078 H SER 54 HN SER 54 12.688 33.450 33.450 1079 HA SER 54 HA SER 54 10.607 33.558 33.558 1080 1HB SER 54 HB2 SER 54 10.575 33.038 33.038 1081 2HB SER 54 HB1 SER 54 12.275 32.624 32.624 1082 HG SER 54 HG SER 54 11.505 30.760 30.760 1083 H ARG 55 HN ARG 55 12.080 30.851 30.851 1084 HA ARG 55 HA ARG 55 9.758 29.088 29.088 1085 1HB ARG 55 HB2 ARG 55 11.000 27.784 27.784 1086 2HB ARG 55 HB1 ARG 55 11.899 28.018 28.018 1087 1HG ARG 55 HG2 ARG 55 13.563 28.949 28.949 1088 2HG ARG 55 HG1 ARG 55 12.477 30.260 30.260 1089 1HD ARG 55 HD2 ARG 55 13.317 29.246 29.246 1090 2HD ARG 55 HD1 ARG 55 11.619 28.805 28.805 1091 HE ARG 55 HE ARG 55 13.430 26.835 26.835 1092 1HH1 ARG 55 HH21 ARG 55 10.882 25.985 25.985 1093 2HH1 ARG 55 HH22 ARG 55 11.345 25.339 25.339 1094 1HH2 ARG 55 HH11 ARG 55 14.456 26.866 26.866 1095 2HH2 ARG 55 HH12 ARG 55 13.365 25.838 25.838 1096 H LEU 56 HN LEU 56 11.106 31.417 31.417 1097 HA LEU 56 HA LEU 56 8.860 30.933 30.933 1098 1HB LEU 56 HB2 LEU 56 10.422 33.263 33.263 1099 2HB LEU 56 HB1 LEU 56 10.263 31.756 31.756 1100 HG LEU 56 HG LEU 56 11.962 30.832 30.832 1101 1HD1 LEU 56 HD11 LEU 56 11.811 33.043 33.043 1102 2HD1 LEU 56 HD13 LEU 56 12.771 33.752 33.752 1103 3HD1 LEU 56 HD12 LEU 56 13.422 32.429 32.429 1104 1HD2 LEU 56 HD21 LEU 56 12.222 31.415 31.415 1105 2HD2 LEU 56 HD23 LEU 56 13.683 31.241 31.241 1106 3HD2 LEU 56 HD22 LEU 56 13.062 32.845 32.845 1107 H SER 57 HN SER 57 10.326 33.923 33.923 1108 HA SER 57 HA SER 57 7.609 34.928 34.928 1109 1HB SER 57 HB2 SER 57 8.116 36.030 36.030 1110 2HB SER 57 HB1 SER 57 9.830 36.151 36.151 1111 HG SER 57 HG SER 57 9.421 37.864 37.864 1112 HA PRO 58 HA PRO 58 9.820 35.862 35.862 1113 1HB PRO 58 HB2 PRO 58 7.808 37.273 37.273 1114 2HB PRO 58 HB1 PRO 58 7.874 35.507 35.507 1115 1HG PRO 58 HG2 PRO 58 6.137 37.396 37.396 1116 2HG PRO 58 HG1 PRO 58 5.850 35.696 35.696 1117 1HD PRO 58 HD2 PRO 58 6.704 36.681 36.681 1118 2HD PRO 58 HD1 PRO 58 6.705 34.981 34.981 1119 H GLU 59 HN GLU 59 11.378 37.359 37.359 1120 HA GLU 59 HA GLU 59 11.063 40.098 40.098 1121 1HB GLU 59 HB2 GLU 59 10.165 39.467 39.467 1122 2HB GLU 59 HB1 GLU 59 11.699 40.318 40.318 1123 1HG GLU 59 HG2 GLU 59 10.675 41.949 41.949 1124 2HG GLU 59 HG1 GLU 59 9.141 41.274 41.274 1125 H GLU 60 HN GLU 60 13.051 39.961 39.961 1126 HA GLU 60 HA GLU 60 15.414 39.879 39.879 1127 1HB GLU 60 HB2 GLU 60 16.149 38.338 38.338 1128 2HB GLU 60 HB1 GLU 60 16.086 37.814 37.814 1129 1HG GLU 60 HG2 GLU 60 14.653 36.312 36.312 1130 2HG GLU 60 HG1 GLU 60 13.560 37.471 37.471 1131 HA PRO 61 HA PRO 61 15.658 42.979 42.979 1132 1HB PRO 61 HB2 PRO 61 16.253 45.076 45.076 1133 2HB PRO 61 HB1 PRO 61 14.597 44.590 44.590 1134 1HG PRO 61 HG2 PRO 61 16.107 44.169 44.169 1135 2HG PRO 61 HG1 PRO 61 14.359 44.279 44.279 1136 1HD PRO 61 HD2 PRO 61 15.839 41.892 41.892 1137 2HD PRO 61 HD1 PRO 61 14.157 42.003 42.003 1138 H ALA 62 HN ALA 62 17.600 44.857 44.857 1139 HA ALA 62 HA ALA 62 19.908 45.227 45.227 1140 1HB ALA 62 HB2 ALA 62 19.506 43.518 43.518 1141 2HB ALA 62 HB1 ALA 62 21.112 43.373 43.373 1142 3HB ALA 62 HB3 ALA 62 20.518 44.946 44.946 1143 HA PRO 63 HA PRO 63 21.531 42.234 42.234 1144 1HB PRO 63 HB2 PRO 63 24.218 42.730 42.730 1145 2HB PRO 63 HB1 PRO 63 23.083 43.846 43.846 1146 1HG PRO 63 HG2 PRO 63 24.446 44.106 44.106 1147 2HG PRO 63 HG1 PRO 63 23.711 45.364 45.364 1148 1HD PRO 63 HD2 PRO 63 22.583 44.111 44.111 1149 2HD PRO 63 HD1 PRO 63 21.820 45.325 45.325 1150 H GLU 64 HN GLU 64 21.845 40.057 40.057 1151 HA GLU 64 HA GLU 64 22.119 37.985 37.985 1152 1HB GLU 64 HB2 GLU 64 24.234 38.844 38.844 1153 2HB GLU 64 HB1 GLU 64 25.007 38.632 38.632 1154 1HG GLU 64 HG2 GLU 64 24.024 36.332 36.332 1155 2HG GLU 64 HG1 GLU 64 23.408 36.551 36.551 1156 H THR 65 HN THR 65 21.165 39.035 39.035 1157 HA THR 65 HA THR 65 23.145 39.624 39.624 1158 HB THR 65 HB THR 65 21.347 40.369 40.369 1159 HG1 THR 65 HG1 THR 65 19.308 39.352 39.352 1160 1HG2 THR 65 HG21 THR 65 21.697 41.634 41.634 1161 2HG2 THR 65 HG23 THR 65 20.345 40.728 40.728 1162 3HG2 THR 65 HG22 THR 65 20.083 41.804 41.804 1163 HA PRO 66 HA PRO 66 21.340 35.510 35.510 1164 1HB PRO 66 HB2 PRO 66 20.271 33.794 33.794 1165 2HB PRO 66 HB1 PRO 66 19.312 34.964 34.964 1166 1HG PRO 66 HG2 PRO 66 20.137 35.058 35.058 1167 2HG PRO 66 HG1 PRO 66 18.749 35.819 35.819 1168 1HD PRO 66 HD2 PRO 66 21.160 37.100 37.100 1169 2HD PRO 66 HD1 PRO 66 19.895 37.775 37.775 1170 H GLU 67 HN GLU 67 22.944 34.019 34.019 1171 HA GLU 67 HA GLU 67 24.665 32.467 32.467 1172 1HB GLU 67 HB2 GLU 67 23.181 32.448 32.448 1173 2HB GLU 67 HB1 GLU 67 24.829 32.799 32.799 1174 1HG GLU 67 HG2 GLU 67 25.355 30.631 30.631 1175 2HG GLU 67 HG1 GLU 67 25.005 30.782 30.782 1176 H ALA 68 HN ALA 68 25.681 34.571 34.571 1177 HA ALA 68 HA ALA 68 27.730 35.527 35.527 1178 1HB ALA 68 HB3 ALA 68 25.749 37.096 37.096 1179 2HB ALA 68 HB2 ALA 68 27.217 37.424 37.424 1180 3HB ALA 68 HB1 ALA 68 27.195 37.684 37.684 1181 HA PRO 69 HA PRO 69 30.729 34.644 34.644 1182 1HB PRO 69 HB2 PRO 69 32.357 36.861 36.861 1183 2HB PRO 69 HB1 PRO 69 32.327 35.642 35.642 1184 1HG PRO 69 HG2 PRO 69 31.185 38.396 38.396 1185 2HG PRO 69 HG1 PRO 69 31.737 37.412 37.412 1186 1HD PRO 69 HD2 PRO 69 29.043 37.822 37.822 1187 2HD PRO 69 HD1 PRO 69 29.628 36.592 36.592 1188 H GLU 70 HN GLU 70 29.684 34.628 34.628 1189 HA GLU 70 HA GLU 70 30.191 36.922 36.922 1190 1HB GLU 70 HB2 GLU 70 27.761 36.896 36.896 1191 2HB GLU 70 HB1 GLU 70 27.363 36.220 36.220 1192 1HG GLU 70 HG2 GLU 70 29.052 38.343 38.343 1193 2HG GLU 70 HG1 GLU 70 28.068 38.964 38.964 1194 H ALA 71 HN ALA 71 29.697 36.378 36.378 1195 HA ALA 71 HA ALA 71 29.750 34.876 34.876 1196 1HB ALA 71 HB2 ALA 71 27.437 34.435 34.435 1197 2HB ALA 71 HB1 ALA 71 28.112 33.109 33.109 1198 3HB ALA 71 HB3 ALA 71 28.165 33.050 33.050 1199 HA PRO 72 HA PRO 72 33.155 32.414 32.414 1200 1HB PRO 72 HB2 PRO 72 34.668 32.598 32.598 1201 2HB PRO 72 HB1 PRO 72 34.654 33.837 33.837 1202 1HG PRO 72 HG2 PRO 72 33.370 33.888 33.888 1203 2HG PRO 72 HG1 PRO 72 33.933 35.237 35.237 1204 1HD PRO 72 HD2 PRO 72 31.245 34.412 34.412 1205 2HD PRO 72 HD1 PRO 72 31.866 35.510 35.510 1206 H GLY 73 HN GLY 73 34.476 30.597 30.597 1207 1HA GLY 73 HA2 GLY 73 32.335 29.012 29.012 1208 2HA GLY 73 HA1 GLY 73 33.529 28.266 28.266 1209 H GLY 74 HN GLY 74 33.968 30.757 30.757 1210 1HA GLY 74 HA2 GLY 74 36.121 29.065 29.065 1211 2HA GLY 74 HA1 GLY 74 35.876 30.781 30.781 1212 H SER 75 HN SER 75 34.824 27.533 27.533 1213 HA SER 75 HA SER 75 32.753 28.390 28.390 1214 1HB SER 75 HB2 SER 75 34.066 25.744 25.744 1215 2HB SER 75 HB1 SER 75 32.353 26.151 26.151 1216 HG SER 75 HG SER 75 32.950 25.027 25.027 1217 H ALA 76 HN ALA 76 32.908 28.069 28.069 1218 HA ALA 76 HA ALA 76 35.588 27.862 27.862 1219 1HB ALA 76 HB2 ALA 76 34.102 30.453 30.453 1220 2HB ALA 76 HB1 ALA 76 35.013 30.137 30.137 1221 3HB ALA 76 HB3 ALA 76 35.837 30.150 30.150 1222 H VAL 77 HN VAL 77 35.418 27.047 27.047 1223 HA VAL 77 HA VAL 77 32.687 27.055 27.055 1224 HB VAL 77 HB VAL 77 32.970 24.804 24.804 1225 1HG1 VAL 77 HG12 VAL 77 32.747 25.345 25.345 1226 2HG1 VAL 77 HG11 VAL 77 34.366 24.649 24.649 1227 3HG1 VAL 77 HG13 VAL 77 33.021 23.685 23.685 1228 1HG2 VAL 77 HG21 VAL 77 35.798 25.501 25.501 1229 2HG2 VAL 77 HG23 VAL 77 35.023 24.233 24.233 1230 3HG2 VAL 77 HG22 VAL 77 35.461 23.932 23.932 Start of MODEL 6 1 1H ACE 0 HA1 ACE 0 14.149 -6.839 -6.839 2 2H ACE 0 HA2 ACE 0 13.280 -8.180 -8.180 3 3H ACE 0 HA3 ACE 0 12.984 -7.769 -7.769 4 H MET 1 HN MET 1 11.171 -6.580 -6.580 5 HA MET 1 HA MET 1 10.201 -4.850 -4.850 6 1HB MET 1 HB2 MET 1 8.416 -6.126 -6.126 7 2HB MET 1 HB1 MET 1 7.954 -5.415 -5.415 8 1HG MET 1 HG2 MET 1 9.638 -7.913 -7.913 9 2HG MET 1 HG1 MET 1 7.937 -7.884 -7.884 10 1HE MET 1 HE3 MET 1 7.771 -8.891 -8.891 11 2HE MET 1 HE2 MET 1 8.668 -8.641 -8.641 12 3HE MET 1 HE1 MET 1 9.438 -9.470 -9.470 13 H ASP 2 HN ASP 2 9.398 -2.796 -2.796 14 HA ASP 2 HA ASP 2 9.825 -2.039 -2.039 15 1HB ASP 2 HB2 ASP 2 10.671 -0.701 -0.701 16 2HB ASP 2 HB1 ASP 2 10.258 0.307 0.307 17 H LEU 3 HN LEU 3 7.664 -2.152 -2.152 18 HA LEU 3 HA LEU 3 6.006 0.103 0.103 19 1HB LEU 3 HB2 LEU 3 4.350 -0.918 -0.918 20 2HB LEU 3 HB1 LEU 3 5.922 -0.565 -0.565 21 HG LEU 3 HG LEU 3 5.802 -3.232 -3.232 22 1HD1 LEU 3 HD12 LEU 3 3.523 -2.346 -2.346 23 2HD1 LEU 3 HD11 LEU 3 4.409 -3.537 -3.537 24 3HD1 LEU 3 HD13 LEU 3 3.842 -3.948 -3.948 25 1HD2 LEU 3 HD22 LEU 3 7.165 -1.835 -1.835 26 2HD2 LEU 3 HD21 LEU 3 7.375 -3.530 -3.530 27 3HD2 LEU 3 HD23 LEU 3 6.237 -3.085 -3.085 28 H VAL 4 HN VAL 4 6.402 -3.150 -3.150 29 HA VAL 4 HA VAL 4 3.710 -3.580 -3.580 30 HB VAL 4 HB VAL 4 4.621 -5.480 -5.480 31 1HG1 VAL 4 HG12 VAL 4 5.090 -4.953 -4.953 32 2HG1 VAL 4 HG11 VAL 4 6.521 -5.787 -5.787 33 3HG1 VAL 4 HG13 VAL 4 4.930 -6.529 -6.529 34 1HG2 VAL 4 HG23 VAL 4 7.169 -3.914 -3.914 35 2HG2 VAL 4 HG22 VAL 4 6.520 -4.777 -4.777 36 3HG2 VAL 4 HG21 VAL 4 7.259 -5.674 -5.674 37 H LYS 5 HN LYS 5 6.603 -2.051 -2.051 38 HA LYS 5 HA LYS 5 5.859 -1.963 -1.963 39 1HB LYS 5 HB2 LYS 5 7.508 -0.306 -0.306 40 2HB LYS 5 HB1 LYS 5 8.073 -1.196 -1.196 41 1HG LYS 5 HG2 LYS 5 6.854 0.514 0.514 42 2HG LYS 5 HG1 LYS 5 6.614 1.457 1.457 43 1HD LYS 5 HD2 LYS 5 9.293 0.592 0.592 44 2HD LYS 5 HD1 LYS 5 8.626 2.223 2.223 45 1HE LYS 5 HE2 LYS 5 8.829 2.536 2.536 46 2HE LYS 5 HE1 LYS 5 8.971 0.808 0.808 47 1HZ LYS 5 HZ1 LYS 5 10.978 2.320 2.320 48 2HZ LYS 5 HZ3 LYS 5 11.091 2.120 2.120 49 3HZ LYS 5 HZ2 LYS 5 11.125 0.763 0.763 50 H ASN 6 HN ASN 6 4.535 -0.430 -0.430 51 HA ASN 6 HA ASN 6 2.698 1.120 1.120 52 1HB ASN 6 HB2 ASN 6 4.360 2.089 2.089 53 2HB ASN 6 HB1 ASN 6 2.739 2.755 2.755 54 1HD2 ASN 6 HD22 ASN 6 3.654 4.787 4.787 55 2HD2 ASN 6 HD21 ASN 6 2.487 4.383 4.383 56 H HIS 7 HN HIS 7 2.666 -1.430 -1.430 57 HA HIS 7 HA HIS 7 1.139 -1.318 -1.318 58 1HB HIS 7 HB2 HIS 7 -0.084 -3.374 -3.374 59 2HB HIS 7 HB1 HIS 7 1.637 -3.479 -3.479 60 HD1 HIS 7 HD1 HIS 7 1.233 -5.388 -5.388 61 HD2 HIS 7 HD2 HIS 7 1.302 -1.367 -1.367 62 HE1 HIS 7 HE1 HIS 7 1.679 -5.338 -5.338 63 H LEU 8 HN LEU 8 0.164 -0.307 -0.307 64 HA LEU 8 HA LEU 8 -2.218 -0.194 -0.194 65 1HB LEU 8 HB2 LEU 8 -0.999 2.278 2.278 66 2HB LEU 8 HB1 LEU 8 -2.569 2.327 2.327 67 HG LEU 8 HG LEU 8 -1.440 1.143 1.143 68 1HD1 LEU 8 HD11 LEU 8 0.776 1.568 1.568 69 2HD1 LEU 8 HD13 LEU 8 1.138 1.923 1.923 70 3HD1 LEU 8 HD12 LEU 8 0.568 0.318 0.318 71 1HD2 LEU 8 HD21 LEU 8 -0.888 3.956 3.956 72 2HD2 LEU 8 HD23 LEU 8 -1.900 3.398 3.398 73 3HD2 LEU 8 HD22 LEU 8 -0.144 3.372 3.372 74 H MET 9 HN MET 9 -1.802 1.063 1.063 75 HA MET 9 HA MET 9 -4.653 1.199 1.199 76 1HB MET 9 HB2 MET 9 -3.987 1.018 1.018 77 2HB MET 9 HB1 MET 9 -3.372 2.404 2.404 78 1HG MET 9 HG2 MET 9 -1.214 1.663 1.663 79 2HG MET 9 HG1 MET 9 -1.684 -0.028 -0.028 80 1HE MET 9 HE3 MET 9 -1.139 2.951 2.951 81 2HE MET 9 HE2 MET 9 -0.719 2.486 2.486 82 3HE MET 9 HE1 MET 9 -2.399 2.823 2.823 83 H TYR 10 HN TYR 10 -3.050 -1.403 -1.403 84 HA TYR 10 HA TYR 10 -4.472 -3.361 -3.361 85 1HB TYR 10 HB2 TYR 10 -2.688 -4.826 -4.826 86 2HB TYR 10 HB1 TYR 10 -1.833 -3.290 -3.290 87 HD1 TYR 10 HD2 TYR 10 -1.999 -2.101 -2.101 88 HD2 TYR 10 HD1 TYR 10 -2.122 -6.300 -6.300 89 HE1 TYR 10 HE2 TYR 10 -1.208 -2.633 -2.633 90 HE2 TYR 10 HE1 TYR 10 -1.336 -6.817 -6.817 91 HH TYR 10 HH TYR 10 -0.353 -4.263 -4.263 92 H ALA 11 HN ALA 11 -3.846 -2.113 -2.113 93 HA ALA 11 HA ALA 11 -6.113 -3.602 -3.602 94 1HB ALA 11 HB2 ALA 11 -3.549 -4.600 -4.600 95 2HB ALA 11 HB1 ALA 11 -3.679 -3.653 -3.653 96 3HB ALA 11 HB3 ALA 11 -4.837 -4.942 -4.942 97 H VAL 12 HN VAL 12 -3.758 -1.010 -1.010 98 HA VAL 12 HA VAL 12 -3.500 0.787 0.787 99 HB VAL 12 HB VAL 12 -5.838 1.047 1.047 100 1HG1 VAL 12 HG11 VAL 12 -6.788 -0.071 -0.071 101 2HG1 VAL 12 HG13 VAL 12 -6.938 1.648 1.648 102 3HG1 VAL 12 HG12 VAL 12 -7.731 0.959 0.959 103 1HG2 VAL 12 HG23 VAL 12 -4.489 2.695 2.695 104 2HG2 VAL 12 HG22 VAL 12 -4.675 3.008 3.008 105 3HG2 VAL 12 HG21 VAL 12 -6.038 3.254 3.254 106 H ARG 13 HN ARG 13 -3.535 -1.825 -1.825 107 HA ARG 13 HA ARG 13 -5.065 -2.194 -2.194 108 1HB ARG 13 HB2 ARG 13 -3.253 -3.821 -3.821 109 2HB ARG 13 HB1 ARG 13 -3.840 -4.003 -4.003 110 1HG ARG 13 HG2 ARG 13 -1.903 -3.169 -3.169 111 2HG ARG 13 HG1 ARG 13 -1.524 -2.172 -2.172 112 1HD ARG 13 HD2 ARG 13 -1.308 -4.537 -4.537 113 2HD ARG 13 HD1 ARG 13 -0.990 -5.076 -5.076 114 HE ARG 13 HE ARG 13 0.577 -2.746 -2.746 115 1HH1 ARG 13 HH11 ARG 13 0.337 -6.158 -6.158 116 2HH1 ARG 13 HH12 ARG 13 2.029 -6.433 -6.433 117 1HH2 ARG 13 HH21 ARG 13 2.767 -3.083 -3.083 118 2HH2 ARG 13 HH22 ARG 13 3.404 -4.692 -4.692 119 H GLU 14 HN GLU 14 -4.964 -1.284 -1.284 120 HA GLU 14 HA GLU 14 -4.320 0.290 0.290 121 1HB GLU 14 HB2 GLU 14 -3.035 -1.657 -1.657 122 2HB GLU 14 HB1 GLU 14 -1.761 -1.271 -1.271 123 1HG GLU 14 HG2 GLU 14 -2.021 1.085 1.085 124 2HG GLU 14 HG1 GLU 14 -2.263 -0.153 -0.153 125 H GLU 15 HN GLU 15 -1.076 0.228 0.228 126 HA GLU 15 HA GLU 15 0.275 2.130 2.130 127 1HB GLU 15 HB2 GLU 15 -1.545 1.368 1.368 128 2HB GLU 15 HB1 GLU 15 -1.186 3.091 3.091 129 1HG GLU 15 HG2 GLU 15 0.471 1.786 1.786 130 2HG GLU 15 HG1 GLU 15 1.234 2.589 2.589 131 H VAL 16 HN VAL 16 -0.258 3.501 3.501 132 HA VAL 16 HA VAL 16 -2.281 5.613 5.613 133 HB VAL 16 HB VAL 16 -0.948 5.087 5.087 134 1HG1 VAL 16 HG13 VAL 16 -2.715 7.091 7.091 135 2HG1 VAL 16 HG12 VAL 16 -3.611 6.114 6.114 136 3HG1 VAL 16 HG11 VAL 16 -2.114 6.907 6.907 137 1HG2 VAL 16 HG21 VAL 16 -2.287 3.121 3.121 138 2HG2 VAL 16 HG23 VAL 16 -2.731 3.645 3.645 139 3HG2 VAL 16 HG22 VAL 16 -3.705 4.141 4.141 140 H GLU 17 HN GLU 17 -1.374 7.406 7.406 141 HA GLU 17 HA GLU 17 1.438 7.967 7.967 142 1HB GLU 17 HB2 GLU 17 0.787 10.178 10.178 143 2HB GLU 17 HB1 GLU 17 0.021 8.836 8.836 144 1HG GLU 17 HG2 GLU 17 -1.550 9.770 9.770 145 2HG GLU 17 HG1 GLU 17 -1.305 11.021 11.021 146 H ILE 18 HN ILE 18 -1.233 8.841 8.841 147 HA ILE 18 HA ILE 18 0.121 10.993 10.993 148 HB ILE 18 HB ILE 18 -2.164 9.199 9.199 149 1HG1 ILE 18 HG12 ILE 18 -2.634 10.528 10.528 150 2HG1 ILE 18 HG11 ILE 18 -3.547 11.154 11.154 151 1HG2 ILE 18 HG22 ILE 18 -0.653 11.321 11.321 152 2HG2 ILE 18 HG21 ILE 18 -2.390 11.624 11.624 153 3HG2 ILE 18 HG23 ILE 18 -1.771 10.136 10.136 154 1HD1 ILE 18 HD11 ILE 18 -1.023 12.458 12.458 155 2HD1 ILE 18 HD13 ILE 18 -1.616 12.520 12.520 156 3HD1 ILE 18 HD12 ILE 18 -2.599 13.169 13.169 157 H LEU 19 HN LEU 19 -0.351 7.523 7.523 158 HA LEU 19 HA LEU 19 1.271 7.646 7.646 159 1HB LEU 19 HB2 LEU 19 -0.214 5.617 5.617 160 2HB LEU 19 HB1 LEU 19 1.336 5.003 5.003 161 HG LEU 19 HG LEU 19 0.214 6.572 6.572 162 1HD1 LEU 19 HD12 LEU 19 -1.827 5.501 5.501 163 2HD1 LEU 19 HD11 LEU 19 -1.721 4.432 4.432 164 3HD1 LEU 19 HD13 LEU 19 -1.998 6.158 6.158 165 1HD2 LEU 19 HD21 LEU 19 0.564 3.581 3.581 166 2HD2 LEU 19 HD23 LEU 19 1.734 4.693 4.693 167 3HD2 LEU 19 HD22 LEU 19 0.219 4.353 4.353 168 H LYS 20 HN LYS 20 1.917 7.321 7.321 169 HA LYS 20 HA LYS 20 4.599 6.215 6.215 170 1HB LYS 20 HB2 LYS 20 3.018 6.201 6.201 171 2HB LYS 20 HB1 LYS 20 3.693 7.804 7.804 172 1HG LYS 20 HG2 LYS 20 5.912 6.214 6.214 173 2HG LYS 20 HG1 LYS 20 4.911 5.194 5.194 174 1HD LYS 20 HD2 LYS 20 5.260 6.493 6.493 175 2HD LYS 20 HD1 LYS 20 5.126 7.990 7.990 176 1HE LYS 20 HE2 LYS 20 7.492 6.745 6.745 177 2HE LYS 20 HE1 LYS 20 7.510 6.594 6.594 178 1HZ LYS 20 HZ2 LYS 20 7.063 9.113 9.113 179 2HZ LYS 20 HZ1 LYS 20 8.506 8.673 8.673 180 3HZ LYS 20 HZ3 LYS 20 7.102 8.961 8.961 181 H GLU 21 HN GLU 21 3.108 9.382 9.382 182 HA GLU 21 HA GLU 21 5.681 10.786 10.786 183 1HB GLU 21 HB2 GLU 21 3.307 11.564 11.564 184 2HB GLU 21 HB1 GLU 21 3.108 12.116 12.116 185 1HG GLU 21 HG2 GLU 21 5.720 12.825 12.825 186 2HG GLU 21 HG1 GLU 21 4.382 13.526 13.526 187 H GLN 22 HN GLN 22 3.490 9.565 9.565 188 HA GLN 22 HA GLN 22 4.528 11.219 11.219 189 1HB GLN 22 HB2 GLN 22 2.649 8.875 8.875 190 2HB GLN 22 HB1 GLN 22 3.298 9.350 9.350 191 1HG GLN 22 HG2 GLN 22 2.288 11.592 11.592 192 2HG GLN 22 HG1 GLN 22 1.053 10.441 10.441 193 1HE2 GLN 22 HE22 GLN 22 1.118 12.663 12.663 194 2HE2 GLN 22 HE21 GLN 22 0.415 12.513 12.513 195 H ILE 23 HN ILE 23 5.107 8.025 8.025 196 HA ILE 23 HA ILE 23 6.925 7.201 7.201 197 HB ILE 23 HB ILE 23 5.687 5.588 5.588 198 1HG1 ILE 23 HG12 ILE 23 7.715 4.128 4.128 199 2HG1 ILE 23 HG11 ILE 23 8.716 5.494 5.494 200 1HG2 ILE 23 HG23 ILE 23 5.989 6.894 6.894 201 2HG2 ILE 23 HG22 ILE 23 7.710 6.510 6.510 202 3HG2 ILE 23 HG21 ILE 23 6.521 5.224 5.224 203 1HD1 ILE 23 HD11 ILE 23 6.499 4.369 4.369 204 2HD1 ILE 23 HD13 ILE 23 8.173 3.825 3.825 205 3HD1 ILE 23 HD12 ILE 23 7.764 5.503 5.503 206 H ARG 24 HN ARG 24 7.199 8.694 8.694 207 HA ARG 24 HA ARG 24 10.107 8.692 8.692 208 1HB ARG 24 HB2 ARG 24 8.236 9.104 9.104 209 2HB ARG 24 HB1 ARG 24 8.664 10.771 10.771 210 1HG ARG 24 HG2 ARG 24 10.654 10.581 10.581 211 2HG ARG 24 HG1 ARG 24 11.033 9.097 9.097 212 1HD ARG 24 HD2 ARG 24 10.568 7.855 7.855 213 2HD ARG 24 HD1 ARG 24 8.962 8.575 8.575 214 HE ARG 24 HE ARG 24 9.798 10.042 10.042 215 1HH1 ARG 24 HH21 ARG 24 11.813 11.588 11.588 216 2HH1 ARG 24 HH22 ARG 24 13.286 10.762 10.762 217 1HH2 ARG 24 HH11 ARG 24 11.921 7.597 7.597 218 2HH2 ARG 24 HH12 ARG 24 13.347 8.502 8.502 219 H GLU 25 HN GLU 25 7.557 10.827 10.827 220 HA GLU 25 HA GLU 25 9.361 13.049 13.049 221 1HB GLU 25 HB2 GLU 25 7.053 13.587 13.587 222 2HB GLU 25 HB1 GLU 25 6.475 12.481 12.481 223 1HG GLU 25 HG2 GLU 25 6.500 14.943 14.943 224 2HG GLU 25 HG1 GLU 25 7.350 13.859 13.859 225 H LEU 26 HN LEU 26 8.239 10.170 10.170 226 HA LEU 26 HA LEU 26 8.970 11.067 11.067 227 1HB LEU 26 HB2 LEU 26 7.832 8.601 8.601 228 2HB LEU 26 HB1 LEU 26 8.753 8.391 8.391 229 HG LEU 26 HG LEU 26 6.603 10.495 10.495 230 1HD1 LEU 26 HD13 LEU 26 5.761 8.126 8.126 231 2HD1 LEU 26 HD12 LEU 26 6.212 7.736 7.736 232 3HD1 LEU 26 HD11 LEU 26 4.988 8.964 8.964 233 1HD2 LEU 26 HD22 LEU 26 7.888 9.043 9.043 234 2HD2 LEU 26 HD21 LEU 26 8.187 10.715 10.715 235 3HD2 LEU 26 HD23 LEU 26 6.602 10.243 10.243 236 H VAL 27 HN VAL 27 10.354 9.300 9.300 237 HA VAL 27 HA VAL 27 12.706 8.425 8.425 238 HB VAL 27 HB VAL 27 12.188 8.505 8.505 239 1HG1 VAL 27 HG12 VAL 27 14.314 7.122 7.122 240 2HG1 VAL 27 HG11 VAL 27 14.045 6.828 6.828 241 3HG1 VAL 27 HG13 VAL 27 14.573 8.418 8.418 242 1HG2 VAL 27 HG22 VAL 27 10.834 6.999 6.999 243 2HG2 VAL 27 HG21 VAL 27 11.209 6.439 6.439 244 3HG2 VAL 27 HG23 VAL 27 12.231 5.958 5.958 245 H GLU 28 HN GLU 28 11.690 11.103 11.103 246 HA GLU 28 HA GLU 28 14.372 12.232 12.232 247 1HB GLU 28 HB2 GLU 28 12.244 12.603 12.603 248 2HB GLU 28 HB1 GLU 28 11.831 13.819 13.819 249 1HG GLU 28 HG2 GLU 28 13.513 15.220 15.220 250 2HG GLU 28 HG1 GLU 28 14.629 13.893 13.893 251 H LYS 29 HN LYS 29 11.594 12.600 12.600 252 HA LYS 29 HA LYS 29 12.743 14.856 14.856 253 1HB LYS 29 HB2 LYS 29 10.220 14.139 14.139 254 2HB LYS 29 HB1 LYS 29 10.607 13.061 13.061 255 1HG LYS 29 HG2 LYS 29 11.259 14.889 14.889 256 2HG LYS 29 HG1 LYS 29 11.246 16.018 16.018 257 1HD LYS 29 HD2 LYS 29 8.679 14.716 14.716 258 2HD LYS 29 HD1 LYS 29 9.111 15.435 15.435 259 1HE LYS 29 HE2 LYS 29 9.510 17.592 17.592 260 2HE LYS 29 HE1 LYS 29 9.232 16.897 16.897 261 1HZ LYS 29 HZ3 LYS 29 7.162 16.682 16.682 262 2HZ LYS 29 HZ2 LYS 29 7.322 18.122 18.122 263 3HZ LYS 29 HZ1 LYS 29 6.989 16.661 16.661 264 H ASN 30 HN ASN 30 12.783 11.374 11.374 265 HA ASN 30 HA ASN 30 13.881 11.239 11.239 266 1HB ASN 30 HB2 ASN 30 12.717 9.289 9.289 267 2HB ASN 30 HB1 ASN 30 13.632 9.248 9.248 268 1HD2 ASN 30 HD22 ASN 30 15.826 8.294 8.294 269 2HD2 ASN 30 HD21 ASN 30 14.793 9.640 9.640 270 H SER 31 HN SER 31 15.118 11.303 11.303 271 HA SER 31 HA SER 31 17.883 10.826 10.826 272 1HB SER 31 HB2 SER 31 18.387 11.470 11.470 273 2HB SER 31 HB1 SER 31 17.043 10.332 10.332 274 HG SER 31 HG SER 31 16.431 12.004 12.004 275 H GLN 32 HN GLN 32 15.800 13.618 13.618 276 HA GLN 32 HA GLN 32 17.956 15.565 15.565 277 1HB GLN 32 HB2 GLN 32 15.934 16.235 16.235 278 2HB GLN 32 HB1 GLN 32 14.944 15.802 15.802 279 1HG GLN 32 HG2 GLN 32 16.980 17.610 17.610 280 2HG GLN 32 HG1 GLN 32 16.205 18.303 18.303 281 1HE2 GLN 32 HE22 GLN 32 14.065 17.875 17.875 282 2HE2 GLN 32 HE21 GLN 32 15.596 17.156 17.156 283 H LEU 33 HN LEU 33 15.740 13.969 13.969 284 HA LEU 33 HA LEU 33 16.544 15.632 15.632 285 1HB LEU 33 HB2 LEU 33 14.441 13.772 13.772 286 2HB LEU 33 HB1 LEU 33 15.336 13.180 13.180 287 HG LEU 33 HG LEU 33 15.120 15.937 15.937 288 1HD1 LEU 33 HD11 LEU 33 13.101 15.189 15.189 289 2HD1 LEU 33 HD13 LEU 33 12.305 15.299 15.299 290 3HD1 LEU 33 HD12 LEU 33 13.189 16.686 16.686 291 1HD2 LEU 33 HD22 LEU 33 14.528 13.512 13.512 292 2HD2 LEU 33 HD21 LEU 33 14.475 15.124 15.124 293 3HD2 LEU 33 HD23 LEU 33 13.016 14.421 14.421 294 H GLU 34 HN GLU 34 17.586 12.774 12.774 295 HA GLU 34 HA GLU 34 19.106 11.689 11.689 296 1HB GLU 34 HB2 GLU 34 18.327 10.202 10.202 297 2HB GLU 34 HB1 GLU 34 19.268 11.123 11.123 298 1HG GLU 34 HG2 GLU 34 20.763 9.413 9.413 299 2HG GLU 34 HG1 GLU 34 21.255 10.587 10.587 300 H ARG 35 HN ARG 35 19.700 13.733 13.733 301 HA ARG 35 HA ARG 35 22.566 13.939 13.939 302 1HB ARG 35 HB2 ARG 35 20.942 14.478 14.478 303 2HB ARG 35 HB1 ARG 35 21.406 16.081 16.081 304 1HG ARG 35 HG2 ARG 35 23.662 14.238 14.238 305 2HG ARG 35 HG1 ARG 35 22.969 14.367 14.367 306 1HD ARG 35 HD2 ARG 35 22.964 16.984 16.984 307 2HD ARG 35 HD1 ARG 35 24.381 16.409 16.409 308 HE ARG 35 HE ARG 35 24.056 16.369 16.369 309 1HH1 ARG 35 HH11 ARG 35 25.742 14.303 14.303 310 2HH1 ARG 35 HH12 ARG 35 27.320 14.847 14.847 311 1HH2 ARG 35 HH21 ARG 35 26.172 17.753 17.753 312 2HH2 ARG 35 HH22 ARG 35 27.563 16.799 16.799 313 H GLU 36 HN GLU 36 19.644 15.770 15.770 314 HA GLU 36 HA GLU 36 21.064 18.063 18.063 315 1HB GLU 36 HB2 GLU 36 18.272 17.214 17.214 316 2HB GLU 36 HB1 GLU 36 18.557 18.053 18.053 317 1HG GLU 36 HG2 GLU 36 19.499 19.961 19.961 318 2HG GLU 36 HG1 GLU 36 19.471 19.109 19.109 319 H ASN 37 HN ASN 37 19.840 15.005 15.005 320 HA ASN 37 HA ASN 37 20.282 15.661 15.661 321 1HB ASN 37 HB2 ASN 37 18.573 14.025 14.025 322 2HB ASN 37 HB1 ASN 37 19.700 13.060 13.060 323 1HD2 ASN 37 HD22 ASN 37 21.179 11.496 11.496 324 2HD2 ASN 37 HD21 ASN 37 21.286 11.761 11.761 325 H THR 38 HN THR 38 22.047 14.214 14.214 326 HA THR 38 HA THR 38 24.180 13.143 13.143 327 HB THR 38 HB THR 38 23.885 13.609 13.609 328 HG1 THR 38 HG1 THR 38 22.897 11.802 11.802 329 1HG2 THR 38 HG22 THR 38 26.315 13.095 13.095 330 2HG2 THR 38 HG21 THR 38 26.103 12.063 12.063 331 3HG2 THR 38 HG23 THR 38 26.157 13.815 13.815 332 H LEU 39 HN LEU 39 23.448 16.128 16.128 333 HA LEU 39 HA LEU 39 26.117 17.261 17.261 334 1HB LEU 39 HB2 LEU 39 23.956 17.895 17.895 335 2HB LEU 39 HB1 LEU 39 23.854 19.129 19.129 336 HG LEU 39 HG LEU 39 25.262 20.007 20.007 337 1HD1 LEU 39 HD11 LEU 39 25.992 20.061 20.061 338 2HD1 LEU 39 HD13 LEU 39 27.292 19.006 19.006 339 3HD1 LEU 39 HD12 LEU 39 27.112 20.620 20.620 340 1HD2 LEU 39 HD22 LEU 39 26.344 17.235 17.235 341 2HD2 LEU 39 HD21 LEU 39 26.088 18.318 18.318 342 3HD2 LEU 39 HD23 LEU 39 27.501 18.523 18.523 343 H LEU 40 HN LEU 40 23.018 17.373 17.373 344 HA LEU 40 HA LEU 40 23.909 19.359 19.359 345 1HB LEU 40 HB2 LEU 40 21.591 17.403 17.403 346 2HB LEU 40 HB1 LEU 40 21.859 18.618 18.618 347 HG LEU 40 HG LEU 40 21.458 19.178 19.178 348 1HD1 LEU 40 HD13 LEU 40 19.410 18.475 18.475 349 2HD1 LEU 40 HD12 LEU 40 19.689 19.795 19.795 350 3HD1 LEU 40 HD11 LEU 40 19.329 20.148 20.148 351 1HD2 LEU 40 HD23 LEU 40 22.285 20.838 20.838 352 2HD2 LEU 40 HD22 LEU 40 22.772 20.963 20.963 353 3HD2 LEU 40 HD21 LEU 40 21.195 21.568 21.568 354 H LYS 41 HN LYS 41 23.923 15.856 15.856 355 HA LYS 41 HA LYS 41 24.671 15.412 15.412 356 1HB LYS 41 HB2 LYS 41 23.575 13.659 13.659 357 2HB LYS 41 HB1 LYS 41 25.016 13.594 13.594 358 1HG LYS 41 HG2 LYS 41 26.366 12.994 12.994 359 2HG LYS 41 HG1 LYS 41 24.885 12.968 12.968 360 1HD LYS 41 HD2 LYS 41 24.078 11.053 11.053 361 2HD LYS 41 HD1 LYS 41 25.014 11.335 11.335 362 1HE LYS 41 HE2 LYS 41 26.215 10.574 10.574 363 2HE LYS 41 HE1 LYS 41 25.906 9.440 9.440 364 1HZ LYS 41 HZ2 LYS 41 27.299 10.956 10.956 365 2HZ LYS 41 HZ1 LYS 41 27.771 11.739 11.739 366 3HZ LYS 41 HZ3 LYS 41 28.137 10.099 10.099 367 H THR 42 HN THR 42 26.387 15.786 15.786 368 HA THR 42 HA THR 42 28.992 15.219 15.219 369 HB THR 42 HB THR 42 28.287 15.035 15.035 370 HG1 THR 42 HG1 THR 42 30.637 15.906 15.906 371 1HG2 THR 42 HG23 THR 42 27.680 17.671 17.671 372 2HG2 THR 42 HG22 THR 42 29.313 17.783 17.783 373 3HG2 THR 42 HG21 THR 42 28.064 16.914 16.914 374 H LEU 43 HN LEU 43 26.987 18.053 18.053 375 HA LEU 43 HA LEU 43 29.084 19.984 19.984 376 1HB LEU 43 HB2 LEU 43 26.474 20.123 20.123 377 2HB LEU 43 HB1 LEU 43 26.364 20.858 20.858 378 HG LEU 43 HG LEU 43 28.597 21.622 21.622 379 1HD1 LEU 43 HD13 LEU 43 26.051 21.845 21.845 380 2HD1 LEU 43 HD12 LEU 43 26.156 23.321 23.321 381 3HD1 LEU 43 HD11 LEU 43 27.289 23.046 23.046 382 1HD2 LEU 43 HD21 LEU 43 27.831 22.304 22.304 383 2HD2 LEU 43 HD23 LEU 43 29.039 23.122 23.122 384 3HD2 LEU 43 HD22 LEU 43 27.368 23.688 23.688 385 H ALA 44 HN ALA 44 26.630 18.258 18.258 386 HA ALA 44 HA ALA 44 27.423 19.664 19.664 387 1HB ALA 44 HB2 ALA 44 25.138 18.061 18.061 388 2HB ALA 44 HB1 ALA 44 25.704 17.603 17.603 389 3HB ALA 44 HB3 ALA 44 25.227 19.269 19.269 390 H SER 45 HN SER 45 28.815 17.337 17.337 391 HA SER 45 HA SER 45 29.268 15.271 15.271 392 1HB SER 45 HB2 SER 45 29.680 14.382 14.382 393 2HB SER 45 HB1 SER 45 30.266 15.907 15.907 394 HG SER 45 HG SER 45 32.196 15.587 15.587 395 HA PRO 46 HA PRO 46 33.443 17.557 17.557 396 1HB PRO 46 HB2 PRO 46 33.632 20.095 20.095 397 2HB PRO 46 HB1 PRO 46 34.110 18.630 18.630 398 1HG PRO 46 HG2 PRO 46 31.700 20.338 20.338 399 2HG PRO 46 HG1 PRO 46 32.526 19.292 19.292 400 1HD PRO 46 HD2 PRO 46 30.129 18.688 18.688 401 2HD PRO 46 HD1 PRO 46 31.125 17.537 17.537 402 H GLU 47 HN GLU 47 31.563 20.580 20.580 403 HA GLU 47 HA GLU 47 30.498 20.693 20.693 404 1HB GLU 47 HB2 GLU 47 33.146 20.666 20.666 405 2HB GLU 47 HB1 GLU 47 32.966 22.382 22.382 406 1HG GLU 47 HG2 GLU 47 31.993 22.816 22.816 407 2HG GLU 47 HG1 GLU 47 30.970 21.381 21.381 408 H GLN 48 HN GLN 48 30.253 23.225 23.225 409 HA GLN 48 HA GLN 48 30.455 25.148 25.148 410 1HB GLN 48 HB2 GLN 48 28.576 23.801 23.801 411 2HB GLN 48 HB1 GLN 48 27.689 23.999 23.999 412 1HG GLN 48 HG2 GLN 48 26.914 25.992 25.992 413 2HG GLN 48 HG1 GLN 48 28.565 26.581 26.581 414 1HE2 GLN 48 HE22 GLN 48 28.559 25.219 25.219 415 2HE2 GLN 48 HE21 GLN 48 29.460 24.883 24.883 416 H LEU 49 HN LEU 49 28.513 23.967 23.967 417 HA LEU 49 HA LEU 49 28.348 24.841 24.841 418 1HB LEU 49 HB2 LEU 49 30.657 26.048 26.048 419 2HB LEU 49 HB1 LEU 49 29.616 27.433 27.433 420 HG LEU 49 HG LEU 49 30.841 26.763 26.763 421 1HD1 LEU 49 HD11 LEU 49 27.872 26.169 26.169 422 2HD1 LEU 49 HD13 LEU 49 28.828 26.494 26.494 423 3HD1 LEU 49 HD12 LEU 49 28.624 27.747 27.747 424 1HD2 LEU 49 HD22 LEU 49 30.812 24.281 24.281 425 2HD2 LEU 49 HD21 LEU 49 30.703 24.599 24.599 426 3HD2 LEU 49 HD23 LEU 49 29.250 24.209 24.209 427 H GLU 50 HN GLU 50 28.024 27.929 27.929 428 HA GLU 50 HA GLU 50 25.994 29.205 29.205 429 1HB GLU 50 HB2 GLU 50 25.998 28.131 28.131 430 2HB GLU 50 HB1 GLU 50 25.058 29.511 29.511 431 1HG GLU 50 HG2 GLU 50 27.380 30.432 30.432 432 2HG GLU 50 HG1 GLU 50 28.029 29.276 29.276 433 H LYS 51 HN LYS 51 26.088 26.390 26.390 434 HA LYS 51 HA LYS 51 23.397 25.428 25.428 435 1HB LYS 51 HB2 LYS 51 25.064 23.967 23.967 436 2HB LYS 51 HB1 LYS 51 25.987 24.036 24.036 437 1HG LYS 51 HG2 LYS 51 24.051 22.925 22.925 438 2HG LYS 51 HG1 LYS 51 23.288 22.722 22.722 439 1HD LYS 51 HD2 LYS 51 24.649 20.726 20.726 440 2HD LYS 51 HD1 LYS 51 25.060 21.317 21.317 441 1HE LYS 51 HE2 LYS 51 26.517 22.535 22.535 442 2HE LYS 51 HE1 LYS 51 26.931 20.872 20.872 443 1HZ LYS 51 HZ2 LYS 51 26.700 22.677 22.677 444 2HZ LYS 51 HZ1 LYS 51 27.983 23.019 23.019 445 3HZ LYS 51 HZ3 LYS 51 27.873 21.493 21.493 446 H PHE 52 HN PHE 52 25.774 25.993 25.993 447 HA PHE 52 HA PHE 52 23.655 25.873 25.873 448 1HB PHE 52 HB2 PHE 52 25.218 24.478 24.478 449 2HB PHE 52 HB1 PHE 52 24.441 23.662 23.662 450 HD1 PHE 52 HD1 PHE 52 27.500 25.907 25.907 451 HD2 PHE 52 HD2 PHE 52 25.910 21.943 21.943 452 HE1 PHE 52 HE1 PHE 52 29.668 25.143 25.143 453 HE2 PHE 52 HE2 PHE 52 28.111 21.201 21.201 454 HZ PHE 52 HZ PHE 52 29.985 22.809 22.809 455 H GLN 53 HN GLN 53 26.388 25.731 25.731 456 HA GLN 53 HA GLN 53 26.461 28.611 28.611 457 1HB GLN 53 HB2 GLN 53 26.591 27.664 27.664 458 2HB GLN 53 HB1 GLN 53 27.554 26.305 26.305 459 1HG GLN 53 HG2 GLN 53 28.815 28.995 28.995 460 2HG GLN 53 HG1 GLN 53 28.609 28.333 28.333 461 1HE2 GLN 53 HE22 GLN 53 30.498 25.283 25.283 462 2HE2 GLN 53 HE21 GLN 53 28.944 25.575 25.575 463 H SER 54 HN SER 54 29.161 26.197 26.197 464 HA SER 54 HA SER 54 30.250 27.144 27.144 465 1HB SER 54 HB2 SER 54 30.643 29.057 29.057 466 2HB SER 54 HB1 SER 54 32.076 28.710 28.710 467 HG SER 54 HG SER 54 31.056 30.299 30.299 468 H ARG 55 HN ARG 55 30.457 24.730 24.730 469 HA ARG 55 HA ARG 55 32.946 23.735 23.735 470 1HB ARG 55 HB2 ARG 55 34.158 23.981 23.981 471 2HB ARG 55 HB1 ARG 55 34.134 25.409 25.409 472 1HG ARG 55 HG2 ARG 55 33.330 26.457 26.457 473 2HG ARG 55 HG1 ARG 55 31.798 25.717 25.717 474 1HD ARG 55 HD2 ARG 55 31.816 24.305 24.305 475 2HD ARG 55 HD1 ARG 55 33.504 23.875 23.875 476 HE ARG 55 HE ARG 55 33.808 26.318 26.318 477 1HH1 ARG 55 HH21 ARG 55 32.008 23.509 23.509 478 2HH1 ARG 55 HH22 ARG 55 31.823 23.971 23.971 479 1HH2 ARG 55 HH11 ARG 55 33.448 27.010 27.010 480 2HH2 ARG 55 HH12 ARG 55 32.638 25.949 25.949 481 H LEU 56 HN LEU 56 30.391 22.688 22.688 482 HA LEU 56 HA LEU 56 30.992 20.461 20.461 483 1HB LEU 56 HB2 LEU 56 28.944 20.758 20.758 484 2HB LEU 56 HB1 LEU 56 30.170 21.977 21.977 485 HG LEU 56 HG LEU 56 28.001 23.065 23.065 486 1HD1 LEU 56 HD13 LEU 56 30.074 23.993 23.993 487 2HD1 LEU 56 HD12 LEU 56 29.028 23.719 23.719 488 3HD1 LEU 56 HD11 LEU 56 28.511 24.800 24.800 489 1HD2 LEU 56 HD23 LEU 56 26.842 21.333 21.333 490 2HD2 LEU 56 HD22 LEU 56 26.518 22.984 22.984 491 3HD2 LEU 56 HD21 LEU 56 27.657 21.991 21.991 492 H SER 57 HN SER 57 27.996 19.926 19.926 493 HA SER 57 HA SER 57 27.128 19.863 19.863 494 1HB SER 57 HB2 SER 57 27.180 17.108 17.108 495 2HB SER 57 HB1 SER 57 27.799 17.833 17.833 496 HG SER 57 HG SER 57 29.337 16.820 16.820 497 HA PRO 58 HA PRO 58 23.236 19.179 19.179 498 1HB PRO 58 HB2 PRO 58 22.048 17.110 17.110 499 2HB PRO 58 HB1 PRO 58 22.267 18.738 18.738 500 1HG PRO 58 HG2 PRO 58 23.747 16.235 16.235 501 2HG PRO 58 HG1 PRO 58 23.501 17.679 17.679 502 1HD PRO 58 HD2 PRO 58 25.852 17.008 17.008 503 2HD PRO 58 HD1 PRO 58 25.500 18.575 18.575 504 H GLU 59 HN GLU 59 22.742 18.378 18.378 505 HA GLU 59 HA GLU 59 22.072 16.692 16.692 506 1HB GLU 59 HB2 GLU 59 22.376 15.094 15.094 507 2HB GLU 59 HB1 GLU 59 23.795 14.589 14.589 508 1HG GLU 59 HG2 GLU 59 22.434 13.296 13.296 509 2HG GLU 59 HG1 GLU 59 21.715 14.774 14.774 510 H GLU 60 HN GLU 60 24.279 18.506 18.506 511 HA GLU 60 HA GLU 60 26.372 16.850 16.850 512 1HB GLU 60 HB2 GLU 60 26.575 19.828 19.828 513 2HB GLU 60 HB1 GLU 60 27.834 18.611 18.611 514 1HG GLU 60 HG2 GLU 60 25.694 19.113 19.113 515 2HG GLU 60 HG1 GLU 60 27.281 19.878 19.878 516 HA PRO 61 HA PRO 61 24.901 19.535 19.535 517 1HB PRO 61 HB2 PRO 61 22.761 21.217 21.217 518 2HB PRO 61 HB1 PRO 61 24.443 21.695 21.695 519 1HG PRO 61 HG2 PRO 61 22.303 21.121 21.121 520 2HG PRO 61 HG1 PRO 61 23.781 22.076 22.076 521 1HD PRO 61 HD2 PRO 61 23.330 19.400 19.400 522 2HD PRO 61 HD1 PRO 61 24.856 20.302 20.302 523 H ALA 62 HN ALA 62 23.093 19.318 19.318 524 HA ALA 62 HA ALA 62 21.428 17.979 17.979 525 1HB ALA 62 HB3 ALA 62 20.175 19.557 19.557 526 2HB ALA 62 HB2 ALA 62 20.021 18.135 18.135 527 3HB ALA 62 HB1 ALA 62 19.322 18.130 18.130 528 HA PRO 63 HA PRO 63 22.872 14.227 14.227 529 1HB PRO 63 HB2 PRO 63 24.469 13.279 13.279 530 2HB PRO 63 HB1 PRO 63 25.042 14.359 14.359 531 1HG PRO 63 HG2 PRO 63 24.466 14.979 14.979 532 2HG PRO 63 HG1 PRO 63 25.570 15.792 15.792 533 1HD PRO 63 HD2 PRO 63 22.990 16.705 16.705 534 2HD PRO 63 HD1 PRO 63 23.974 17.334 17.334 535 H GLU 64 HN GLU 64 21.434 12.574 12.574 536 HA GLU 64 HA GLU 64 19.672 11.276 11.276 537 1HB GLU 64 HB2 GLU 64 22.054 10.345 10.345 538 2HB GLU 64 HB1 GLU 64 21.407 10.750 10.750 539 1HG GLU 64 HG2 GLU 64 19.636 9.238 9.238 540 2HG GLU 64 HG1 GLU 64 19.704 9.220 9.220 541 H THR 65 HN THR 65 18.650 13.554 13.554 542 HA THR 65 HA THR 65 18.202 13.679 13.679 543 HB THR 65 HB THR 65 18.097 16.013 16.013 544 HG1 THR 65 HG1 THR 65 16.758 16.551 16.551 545 1HG2 THR 65 HG23 THR 65 20.041 15.206 15.206 546 2HG2 THR 65 HG22 THR 65 20.036 16.770 16.770 547 3HG2 THR 65 HG21 THR 65 20.388 15.304 15.304 548 HA PRO 66 HA PRO 66 13.936 13.069 13.069 549 1HB PRO 66 HB2 PRO 66 12.854 14.336 14.336 550 2HB PRO 66 HB1 PRO 66 13.663 12.762 12.762 551 1HG PRO 66 HG2 PRO 66 14.646 15.426 15.426 552 2HG PRO 66 HG1 PRO 66 15.100 13.813 13.813 553 1HD PRO 66 HD2 PRO 66 16.602 15.444 15.444 554 2HD PRO 66 HD1 PRO 66 16.897 13.728 13.728 555 H GLU 67 HN GLU 67 11.907 14.254 14.254 556 HA GLU 67 HA GLU 67 11.565 17.050 17.050 557 1HB GLU 67 HB2 GLU 67 12.060 17.513 17.513 558 2HB GLU 67 HB1 GLU 67 13.439 17.430 17.430 559 1HG GLU 67 HG2 GLU 67 14.306 15.737 15.737 560 2HG GLU 67 HG1 GLU 67 12.856 14.778 14.778 561 H ALA 68 HN ALA 68 9.382 16.530 16.530 562 HA ALA 68 HA ALA 68 7.806 16.262 16.262 563 1HB ALA 68 HB1 ALA 68 8.866 13.779 13.779 564 2HB ALA 68 HB3 ALA 68 7.113 13.788 13.788 565 3HB ALA 68 HB2 ALA 68 7.834 14.048 14.048 566 HA PRO 69 HA PRO 69 5.560 17.591 17.591 567 1HB PRO 69 HB2 PRO 69 4.361 19.722 19.722 568 2HB PRO 69 HB1 PRO 69 5.960 19.806 19.806 569 1HG PRO 69 HG2 PRO 69 5.262 19.685 19.685 570 2HG PRO 69 HG1 PRO 69 6.685 20.390 20.390 571 1HD PRO 69 HD2 PRO 69 6.601 17.894 17.894 572 2HD PRO 69 HD1 PRO 69 7.891 18.453 18.453 573 H GLU 70 HN GLU 70 4.354 15.532 15.532 574 HA GLU 70 HA GLU 70 1.588 16.013 16.013 575 1HB GLU 70 HB2 GLU 70 3.027 15.811 15.811 576 2HB GLU 70 HB1 GLU 70 2.562 14.131 14.131 577 1HG GLU 70 HG2 GLU 70 0.452 14.569 14.569 578 2HG GLU 70 HG1 GLU 70 0.317 15.849 15.849 579 H ALA 71 HN ALA 71 1.857 14.896 14.896 580 HA ALA 71 HA ALA 71 1.746 12.977 12.977 581 1HB ALA 71 HB2 ALA 71 0.781 11.907 11.907 582 2HB ALA 71 HB1 ALA 71 0.773 10.945 10.945 583 3HB ALA 71 HB3 ALA 71 -0.200 12.413 12.413 584 HA PRO 72 HA PRO 72 5.759 11.476 11.476 585 1HB PRO 72 HB2 PRO 72 7.455 12.819 12.819 586 2HB PRO 72 HB1 PRO 72 6.907 13.472 13.472 587 1HG PRO 72 HG2 PRO 72 6.045 14.213 14.213 588 2HG PRO 72 HG1 PRO 72 6.062 15.198 15.198 589 1HD PRO 72 HD2 PRO 72 3.781 13.979 13.979 590 2HD PRO 72 HD1 PRO 72 3.903 14.642 14.642 591 H GLY 73 HN GLY 73 4.958 9.480 9.480 592 1HA GLY 73 HA2 GLY 73 6.456 8.116 8.116 593 2HA GLY 73 HA1 GLY 73 5.646 9.179 9.179 594 H GLY 74 HN GLY 74 4.033 8.074 8.074 595 1HA GLY 74 HA2 GLY 74 1.766 7.073 7.073 596 2HA GLY 74 HA1 GLY 74 2.816 5.708 5.708 597 H SER 75 HN SER 75 3.795 6.323 6.323 598 HA SER 75 HA SER 75 1.655 7.233 7.233 599 1HB SER 75 HB2 SER 75 1.052 4.838 4.838 600 2HB SER 75 HB1 SER 75 2.518 4.340 4.340 601 HG SER 75 HG SER 75 1.701 5.166 5.166 602 H ALA 76 HN ALA 76 2.429 7.538 7.538 603 HA ALA 76 HA ALA 76 5.379 7.132 7.132 604 1HB ALA 76 HB1 ALA 76 3.610 9.464 9.464 605 2HB ALA 76 HB3 ALA 76 5.059 9.175 9.175 606 3HB ALA 76 HB2 ALA 76 5.196 9.456 9.456 607 H VAL 77 HN VAL 77 5.144 5.161 5.161 608 HA VAL 77 HA VAL 77 3.577 5.303 5.303 609 HB VAL 77 HB VAL 77 4.151 2.768 2.768 610 1HG1 VAL 77 HG11 VAL 77 2.226 4.292 4.292 611 2HG1 VAL 77 HG13 VAL 77 2.405 2.582 2.582 612 3HG1 VAL 77 HG12 VAL 77 1.924 3.067 3.067 613 1HG2 VAL 77 HG21 VAL 77 5.873 3.282 3.282 614 2HG2 VAL 77 HG23 VAL 77 4.924 1.797 1.797 615 3HG2 VAL 77 HG22 VAL 77 4.452 3.185 3.185 616 1H ACE 0 HA1 ACE 0 -11.221 -9.836 -9.836 617 2H ACE 0 HA2 ACE 0 -12.094 -10.933 -10.933 618 3H ACE 0 HA3 ACE 0 -10.675 -11.502 -11.502 619 H MET 1 HN MET 1 -11.004 -11.608 -11.608 620 HA MET 1 HA MET 1 -8.757 -9.798 -9.798 621 1HB MET 1 HB2 MET 1 -9.778 -9.625 -9.625 622 2HB MET 1 HB1 MET 1 -10.855 -8.987 -8.987 623 1HG MET 1 HG2 MET 1 -12.441 -10.413 -10.413 624 2HG MET 1 HG1 MET 1 -11.423 -11.746 -11.746 625 1HE MET 1 HE3 MET 1 -13.038 -9.830 -9.830 626 2HE MET 1 HE2 MET 1 -13.328 -11.149 -11.149 627 3HE MET 1 HE1 MET 1 -12.233 -9.843 -9.843 628 H ASP 2 HN ASP 2 -7.410 -11.688 -11.688 629 HA ASP 2 HA ASP 2 -6.795 -13.262 -13.262 630 1HB ASP 2 HB2 ASP 2 -8.853 -14.320 -14.320 631 2HB ASP 2 HB1 ASP 2 -7.439 -15.375 -15.375 632 H LEU 3 HN LEU 3 -5.124 -11.760 -11.760 633 HA LEU 3 HA LEU 3 -3.476 -13.789 -13.789 634 1HB LEU 3 HB2 LEU 3 -4.557 -12.451 -12.451 635 2HB LEU 3 HB1 LEU 3 -4.049 -10.961 -10.961 636 HG LEU 3 HG LEU 3 -1.650 -12.198 -12.198 637 1HD1 LEU 3 HD13 LEU 3 -3.446 -13.248 -13.248 638 2HD1 LEU 3 HD12 LEU 3 -1.721 -13.025 -13.025 639 3HD1 LEU 3 HD11 LEU 3 -2.267 -14.122 -14.122 640 1HD2 LEU 3 HD22 LEU 3 -2.252 -9.905 -9.905 641 2HD2 LEU 3 HD21 LEU 3 -1.278 -10.744 -10.744 642 3HD2 LEU 3 HD23 LEU 3 -3.020 -10.584 -10.584 643 H VAL 4 HN VAL 4 -3.547 -10.559 -10.559 644 HA VAL 4 HA VAL 4 -0.738 -10.224 -10.224 645 HB VAL 4 HB VAL 4 -2.333 -8.416 -8.416 646 1HG1 VAL 4 HG12 VAL 4 -4.042 -9.876 -9.876 647 2HG1 VAL 4 HG11 VAL 4 -2.992 -9.990 -9.990 648 3HG1 VAL 4 HG13 VAL 4 -3.674 -8.432 -8.432 649 1HG2 VAL 4 HG22 VAL 4 -0.237 -9.272 -9.272 650 2HG2 VAL 4 HG21 VAL 4 -0.435 -7.732 -7.732 651 3HG2 VAL 4 HG23 VAL 4 -1.360 -8.065 -8.065 652 H LYS 5 HN LYS 5 -3.025 -12.109 -12.109 653 HA LYS 5 HA LYS 5 -0.956 -12.779 -12.779 654 1HB LYS 5 HB2 LYS 5 -3.569 -12.439 -12.439 655 2HB LYS 5 HB1 LYS 5 -3.624 -14.138 -14.138 656 1HG LYS 5 HG2 LYS 5 -2.260 -14.806 -14.806 657 2HG LYS 5 HG1 LYS 5 -1.689 -13.164 -13.164 658 1HD LYS 5 HD2 LYS 5 -3.342 -12.868 -12.868 659 2HD LYS 5 HD1 LYS 5 -4.527 -13.112 -13.112 660 1HE LYS 5 HE2 LYS 5 -4.126 -15.634 -15.634 661 2HE LYS 5 HE1 LYS 5 -3.340 -15.169 -15.169 662 1HZ LYS 5 HZ1 LYS 5 -5.614 -13.746 -13.746 663 2HZ LYS 5 HZ3 LYS 5 -6.141 -15.147 -15.147 664 3HZ LYS 5 HZ2 LYS 5 -5.402 -15.265 -15.265 665 H ASN 6 HN ASN 6 -0.630 -13.535 -13.535 666 HA ASN 6 HA ASN 6 -0.684 -16.516 -16.516 667 1HB ASN 6 HB2 ASN 6 -1.779 -14.871 -14.871 668 2HB ASN 6 HB1 ASN 6 -0.286 -15.496 -15.496 669 1HD2 ASN 6 HD22 ASN 6 -2.660 -18.137 -18.137 670 2HD2 ASN 6 HD21 ASN 6 -2.171 -16.609 -16.609 671 H HIS 7 HN HIS 7 1.061 -13.891 -13.891 672 HA HIS 7 HA HIS 7 3.513 -15.495 -15.495 673 1HB HIS 7 HB2 HIS 7 4.481 -13.251 -13.251 674 2HB HIS 7 HB1 HIS 7 3.331 -14.088 -14.088 675 HD1 HIS 7 HD1 HIS 7 2.620 -11.834 -11.834 676 HD2 HIS 7 HD2 HIS 7 1.888 -12.035 -12.035 677 HE1 HIS 7 HE1 HIS 7 1.115 -9.876 -9.876 678 H LEU 8 HN LEU 8 1.992 -13.661 -13.661 679 HA LEU 8 HA LEU 8 3.673 -12.112 -12.112 680 1HB LEU 8 HB2 LEU 8 3.032 -13.659 -13.659 681 2HB LEU 8 HB1 LEU 8 1.862 -12.610 -12.610 682 HG LEU 8 HG LEU 8 0.942 -14.413 -14.413 683 1HD1 LEU 8 HD11 LEU 8 3.475 -15.819 -15.819 684 2HD1 LEU 8 HD13 LEU 8 2.062 -16.741 -16.741 685 3HD1 LEU 8 HD12 LEU 8 2.807 -15.610 -15.610 686 1HD2 LEU 8 HD23 LEU 8 0.469 -14.350 -14.350 687 2HD2 LEU 8 HD22 LEU 8 0.168 -15.895 -15.895 688 3HD2 LEU 8 HD21 LEU 8 1.635 -15.664 -15.664 689 H MET 9 HN MET 9 4.657 -15.496 -15.496 690 HA MET 9 HA MET 9 6.682 -15.372 -15.372 691 1HB MET 9 HB2 MET 9 7.681 -17.350 -17.350 692 2HB MET 9 HB1 MET 9 5.939 -17.559 -17.559 693 1HG MET 9 HG2 MET 9 5.844 -17.937 -17.937 694 2HG MET 9 HG1 MET 9 6.289 -16.251 -16.251 695 1HE MET 9 HE3 MET 9 7.269 -19.838 -19.838 696 2HE MET 9 HE2 MET 9 9.002 -19.936 -19.936 697 3HE MET 9 HE1 MET 9 8.411 -19.255 -19.255 698 H TYR 10 HN TYR 10 6.412 -14.440 -14.440 699 HA TYR 10 HA TYR 10 9.098 -13.811 -13.811 700 1HB TYR 10 HB2 TYR 10 8.131 -12.717 -12.717 701 2HB TYR 10 HB1 TYR 10 7.006 -14.016 -14.016 702 HD1 TYR 10 HD1 TYR 10 5.929 -12.458 -12.458 703 HD2 TYR 10 HD2 TYR 10 6.380 -11.438 -11.438 704 HE1 TYR 10 HE1 TYR 10 4.108 -10.830 -10.830 705 HE2 TYR 10 HE2 TYR 10 4.534 -9.816 -9.816 706 HH TYR 10 HH TYR 10 3.131 -8.794 -8.794 707 H ALA 11 HN ALA 11 7.038 -12.440 -12.440 708 HA ALA 11 HA ALA 11 8.814 -10.217 -10.217 709 1HB ALA 11 HB1 ALA 11 7.255 -9.676 -9.676 710 2HB ALA 11 HB3 ALA 11 6.120 -9.255 -9.255 711 3HB ALA 11 HB2 ALA 11 7.680 -8.440 -8.440 712 H VAL 12 HN VAL 12 5.514 -11.412 -11.412 713 HA VAL 12 HA VAL 12 4.242 -12.027 -12.027 714 HB VAL 12 HB VAL 12 6.661 -11.928 -11.928 715 1HG1 VAL 12 HG13 VAL 12 6.020 -9.339 -9.339 716 2HG1 VAL 12 HG12 VAL 12 5.200 -10.000 -10.000 717 3HG1 VAL 12 HG11 VAL 12 6.936 -10.239 -10.239 718 1HG2 VAL 12 HG22 VAL 12 4.158 -12.905 -12.905 719 2HG2 VAL 12 HG21 VAL 12 5.592 -13.165 -13.165 720 3HG2 VAL 12 HG23 VAL 12 4.471 -11.862 -11.862 721 H ARG 13 HN ARG 13 4.225 -9.564 -9.564 722 HA ARG 13 HA ARG 13 3.642 -7.192 -7.192 723 1HB ARG 13 HB2 ARG 13 2.758 -8.502 -8.502 724 2HB ARG 13 HB1 ARG 13 1.594 -7.336 -7.336 725 1HG ARG 13 HG2 ARG 13 3.181 -6.213 -6.213 726 2HG ARG 13 HG1 ARG 13 3.404 -5.641 -5.641 727 1HD ARG 13 HD2 ARG 13 5.260 -7.269 -7.269 728 2HD ARG 13 HD1 ARG 13 5.063 -7.765 -7.765 729 HE ARG 13 HE ARG 13 5.975 -5.647 -5.647 730 1HH1 ARG 13 HH21 ARG 13 6.914 -6.560 -6.560 731 2HH1 ARG 13 HH22 ARG 13 7.356 -4.979 -4.979 732 1HH2 ARG 13 HH11 ARG 13 5.986 -3.352 -3.352 733 2HH2 ARG 13 HH12 ARG 13 6.831 -3.161 -3.161 734 H GLU 14 HN GLU 14 2.724 -7.510 -7.510 735 HA GLU 14 HA GLU 14 0.252 -9.021 -9.021 736 1HB GLU 14 HB2 GLU 14 1.924 -7.279 -7.279 737 2HB GLU 14 HB1 GLU 14 0.340 -7.862 -7.862 738 1HG GLU 14 HG2 GLU 14 1.076 -9.992 -9.992 739 2HG GLU 14 HG1 GLU 14 2.050 -9.938 -9.938 740 H GLU 15 HN GLU 15 0.775 -6.137 -6.137 741 HA GLU 15 HA GLU 15 -0.806 -4.536 -4.536 742 1HB GLU 15 HB2 GLU 15 -2.425 -6.544 -6.544 743 2HB GLU 15 HB1 GLU 15 -2.826 -5.516 -5.516 744 1HG GLU 15 HG2 GLU 15 -3.029 -3.638 -3.638 745 2HG GLU 15 HG1 GLU 15 -3.246 -5.006 -5.006 746 H VAL 16 HN VAL 16 -2.849 -3.649 -3.649 747 HA VAL 16 HA VAL 16 -1.627 -1.343 -1.343 748 HB VAL 16 HB VAL 16 -3.241 -1.518 -1.518 749 1HG1 VAL 16 HG12 VAL 16 -3.785 -0.376 -0.376 750 2HG1 VAL 16 HG11 VAL 16 -4.312 -1.914 -1.914 751 3HG1 VAL 16 HG13 VAL 16 -5.197 -1.199 -1.199 752 1HG2 VAL 16 HG23 VAL 16 -3.162 -4.215 -4.215 753 2HG2 VAL 16 HG22 VAL 16 -4.344 -3.458 -3.458 754 3HG2 VAL 16 HG21 VAL 16 -4.709 -3.670 -3.670 755 H GLU 17 HN GLU 17 -1.010 -4.568 -4.568 756 HA GLU 17 HA GLU 17 0.000 -3.864 -3.864 757 1HB GLU 17 HB2 GLU 17 -0.211 -6.224 -6.224 758 2HB GLU 17 HB1 GLU 17 1.464 -6.085 -6.085 759 1HG GLU 17 HG2 GLU 17 0.080 -5.404 -5.404 760 2HG GLU 17 HG1 GLU 17 -0.960 -6.640 -6.640 761 H ILE 18 HN ILE 18 1.713 -4.397 -4.397 762 HA ILE 18 HA ILE 18 4.291 -3.683 -3.683 763 HB ILE 18 HB ILE 18 4.970 -3.495 -3.495 764 1HG1 ILE 18 HG12 ILE 18 2.309 -4.211 -4.211 765 2HG1 ILE 18 HG11 ILE 18 2.412 -2.571 -2.571 766 1HG2 ILE 18 HG22 ILE 18 3.164 -5.776 -5.776 767 2HG2 ILE 18 HG21 ILE 18 4.005 -5.774 -5.774 768 3HG2 ILE 18 HG23 ILE 18 4.926 -5.736 -5.736 769 1HD1 ILE 18 HD13 ILE 18 4.540 -3.637 -3.637 770 2HD1 ILE 18 HD12 ILE 18 3.049 -2.952 -2.952 771 3HD1 ILE 18 HD11 ILE 18 4.120 -1.959 -1.959 772 H LEU 19 HN LEU 19 1.574 -1.768 -1.768 773 HA LEU 19 HA LEU 19 3.168 0.647 0.647 774 1HB LEU 19 HB2 LEU 19 0.340 -0.151 -0.151 775 2HB LEU 19 HB1 LEU 19 0.579 1.506 1.506 776 HG LEU 19 HG LEU 19 0.445 1.359 1.359 777 1HD1 LEU 19 HD12 LEU 19 2.556 2.551 2.551 778 2HD1 LEU 19 HD11 LEU 19 3.149 2.163 2.163 779 3HD1 LEU 19 HD13 LEU 19 1.735 3.197 3.197 780 1HD2 LEU 19 HD21 LEU 19 1.521 -0.941 -0.941 781 2HD2 LEU 19 HD23 LEU 19 2.150 0.210 0.210 782 3HD2 LEU 19 HD22 LEU 19 3.069 -0.145 -0.145 783 H LYS 20 HN LYS 20 0.866 -0.410 -0.410 784 HA LYS 20 HA LYS 20 1.320 1.878 1.878 785 1HB LYS 20 HB2 LYS 20 0.223 0.457 0.457 786 2HB LYS 20 HB1 LYS 20 -0.715 0.601 0.601 787 1HG LYS 20 HG2 LYS 20 -0.608 -1.618 -1.618 788 2HG LYS 20 HG1 LYS 20 1.140 -1.634 -1.634 789 1HD LYS 20 HD2 LYS 20 0.036 -3.051 -3.051 790 2HD LYS 20 HD1 LYS 20 0.801 -1.660 -1.660 791 1HE LYS 20 HE2 LYS 20 -1.244 -1.429 -1.429 792 2HE LYS 20 HE1 LYS 20 -1.653 -0.624 -0.624 793 1HZ LYS 20 HZ3 LYS 20 -1.875 -3.509 -3.509 794 2HZ LYS 20 HZ2 LYS 20 -2.977 -2.723 -2.723 795 3HZ LYS 20 HZ1 LYS 20 -2.922 -2.331 -2.331 796 H GLU 21 HN GLU 21 2.953 -1.181 -1.181 797 HA GLU 21 HA GLU 21 4.431 -1.002 -1.002 798 1HB GLU 21 HB2 GLU 21 4.720 -2.710 -2.710 799 2HB GLU 21 HB1 GLU 21 5.878 -2.786 -2.786 800 1HG GLU 21 HG2 GLU 21 3.305 -2.885 -2.885 801 2HG GLU 21 HG1 GLU 21 3.273 -4.005 -4.005 802 H GLN 22 HN GLN 22 4.865 0.061 0.061 803 HA GLN 22 HA GLN 22 7.674 0.756 0.756 804 1HB GLN 22 HB2 GLN 22 6.047 0.447 0.447 805 2HB GLN 22 HB1 GLN 22 6.084 2.205 2.205 806 1HG GLN 22 HG2 GLN 22 7.974 1.856 1.856 807 2HG GLN 22 HG1 GLN 22 8.685 1.794 1.794 808 1HE2 GLN 22 HE22 GLN 22 8.219 -2.024 -2.024 809 2HE2 GLN 22 HE21 GLN 22 7.229 -0.915 -0.915 810 H ILE 23 HN ILE 23 4.599 2.568 2.568 811 HA ILE 23 HA ILE 23 5.934 5.071 5.071 812 HB ILE 23 HB ILE 23 3.655 5.952 5.952 813 1HG1 ILE 23 HG12 ILE 23 2.552 3.238 3.238 814 2HG1 ILE 23 HG11 ILE 23 2.912 3.638 3.638 815 1HG2 ILE 23 HG21 ILE 23 4.768 4.930 4.930 816 2HG2 ILE 23 HG23 ILE 23 3.111 4.324 4.324 817 3HG2 ILE 23 HG22 ILE 23 3.415 6.057 6.057 818 1HD1 ILE 23 HD11 ILE 23 1.574 5.890 5.890 819 2HD1 ILE 23 HD13 ILE 23 0.698 4.527 4.527 820 3HD1 ILE 23 HD12 ILE 23 0.895 4.646 4.646 821 H ARG 24 HN ARG 24 4.715 2.340 2.340 822 HA ARG 24 HA ARG 24 4.440 3.701 3.701 823 1HB ARG 24 HB2 ARG 24 3.199 1.629 1.629 824 2HB ARG 24 HB1 ARG 24 4.709 0.758 0.758 825 1HG ARG 24 HG2 ARG 24 5.373 0.986 0.986 826 2HG ARG 24 HG1 ARG 24 4.132 2.200 2.200 827 1HD ARG 24 HD2 ARG 24 3.603 -0.133 -0.133 828 2HD ARG 24 HD1 ARG 24 2.374 0.579 0.579 829 HE ARG 24 HE ARG 24 3.071 -0.927 -0.927 830 1HH1 ARG 24 HH11 ARG 24 5.863 -1.398 -1.398 831 2HH1 ARG 24 HH12 ARG 24 5.998 -2.909 -2.909 832 1HH2 ARG 24 HH21 ARG 24 2.744 -2.843 -2.843 833 2HH2 ARG 24 HH22 ARG 24 4.231 -3.729 -3.729 834 H GLU 25 HN GLU 25 6.881 1.707 1.707 835 HA GLU 25 HA GLU 25 8.769 1.859 1.859 836 1HB GLU 25 HB2 GLU 25 8.608 0.552 0.552 837 2HB GLU 25 HB1 GLU 25 10.197 1.273 1.273 838 1HG GLU 25 HG2 GLU 25 9.485 0.072 0.072 839 2HG GLU 25 HG1 GLU 25 9.074 -1.101 -1.101 840 H LEU 26 HN LEU 26 8.001 3.743 3.743 841 HA LEU 26 HA LEU 26 10.476 5.301 5.301 842 1HB LEU 26 HB2 LEU 26 8.114 5.119 5.119 843 2HB LEU 26 HB1 LEU 26 8.528 6.798 6.798 844 HG LEU 26 HG LEU 26 9.690 5.907 5.907 845 1HD1 LEU 26 HD12 LEU 26 10.670 7.721 7.721 846 2HD1 LEU 26 HD11 LEU 26 11.559 6.491 6.491 847 3HD1 LEU 26 HD13 LEU 26 11.897 6.749 6.749 848 1HD2 LEU 26 HD21 LEU 26 9.964 3.612 3.612 849 2HD2 LEU 26 HD23 LEU 26 10.936 3.995 3.995 850 3HD2 LEU 26 HD22 LEU 26 11.567 4.324 4.324 851 H VAL 27 HN VAL 27 7.244 5.493 5.493 852 HA VAL 27 HA VAL 27 7.625 8.224 8.224 853 HB VAL 27 HB VAL 27 5.364 7.337 7.337 854 1HG1 VAL 27 HG12 VAL 27 5.780 5.622 5.622 855 2HG1 VAL 27 HG11 VAL 27 4.266 5.768 5.768 856 3HG1 VAL 27 HG13 VAL 27 5.677 5.039 5.039 857 1HG2 VAL 27 HG22 VAL 27 6.123 8.754 8.754 858 2HG2 VAL 27 HG21 VAL 27 4.687 8.974 8.974 859 3HG2 VAL 27 HG23 VAL 27 4.672 7.803 7.803 860 H GLU 28 HN GLU 28 8.146 4.952 4.952 861 HA GLU 28 HA GLU 28 8.367 5.564 5.564 862 1HB GLU 28 HB2 GLU 28 8.040 3.232 3.232 863 2HB GLU 28 HB1 GLU 28 9.764 3.175 3.175 864 1HG GLU 28 HG2 GLU 28 9.380 3.312 3.312 865 2HG GLU 28 HG1 GLU 28 7.701 3.800 3.800 866 H LYS 29 HN LYS 29 10.515 5.178 5.178 867 HA LYS 29 HA LYS 29 12.953 5.541 5.541 868 1HB LYS 29 HB2 LYS 29 12.377 4.653 4.653 869 2HB LYS 29 HB1 LYS 29 13.097 6.239 6.239 870 1HG LYS 29 HG2 LYS 29 15.151 5.491 5.491 871 2HG LYS 29 HG1 LYS 29 14.552 4.781 4.781 872 1HD LYS 29 HD2 LYS 29 14.698 2.727 2.727 873 2HD LYS 29 HD1 LYS 29 13.583 3.202 3.202 874 1HE LYS 29 HE2 LYS 29 15.700 2.447 2.447 875 2HE LYS 29 HE1 LYS 29 15.487 4.174 4.174 876 1HZ LYS 29 HZ2 LYS 29 16.863 4.588 4.588 877 2HZ LYS 29 HZ1 LYS 29 17.155 2.919 2.919 878 3HZ LYS 29 HZ3 LYS 29 17.706 3.776 3.776 879 H ASN 30 HN ASN 30 10.777 7.580 7.580 880 HA ASN 30 HA ASN 30 12.399 9.966 9.966 881 1HB ASN 30 HB2 ASN 30 10.490 9.577 9.577 882 2HB ASN 30 HB1 ASN 30 9.383 9.806 9.806 883 1HD2 ASN 30 HD22 ASN 30 11.707 13.086 13.086 884 2HD2 ASN 30 HD21 ASN 30 12.429 11.552 11.552 885 H SER 31 HN SER 31 9.896 8.498 8.498 886 HA SER 31 HA SER 31 9.650 10.730 10.730 887 1HB SER 31 HB2 SER 31 8.209 9.357 9.357 888 2HB SER 31 HB1 SER 31 8.073 8.642 8.642 889 HG SER 31 HG SER 31 8.552 7.225 7.225 890 H GLN 32 HN GLN 32 11.678 7.850 7.850 891 HA GLN 32 HA GLN 32 12.842 8.130 8.130 892 1HB GLN 32 HB2 GLN 32 12.970 6.233 6.233 893 2HB GLN 32 HB1 GLN 32 14.590 6.929 6.929 894 1HG GLN 32 HG2 GLN 32 14.796 5.254 5.254 895 2HG GLN 32 HG1 GLN 32 14.379 6.647 6.647 896 1HE2 GLN 32 HE22 GLN 32 12.099 3.641 3.641 897 2HE2 GLN 32 HE21 GLN 32 13.785 3.729 3.729 898 H LEU 33 HN LEU 33 13.526 9.424 9.424 899 HA LEU 33 HA LEU 33 16.031 10.679 10.679 900 1HB LEU 33 HB2 LEU 33 14.557 10.365 10.365 901 2HB LEU 33 HB1 LEU 33 15.429 11.889 11.889 902 HG LEU 33 HG LEU 33 16.674 9.172 9.172 903 1HD1 LEU 33 HD13 LEU 33 16.495 10.883 10.883 904 2HD1 LEU 33 HD12 LEU 33 17.894 9.840 9.840 905 3HD1 LEU 33 HD11 LEU 33 16.279 9.141 9.141 906 1HD2 LEU 33 HD22 LEU 33 17.712 12.010 12.010 907 2HD2 LEU 33 HD21 LEU 33 17.884 10.864 10.864 908 3HD2 LEU 33 HD23 LEU 33 18.777 10.614 10.614 909 H GLU 34 HN GLU 34 12.676 11.377 11.377 910 HA GLU 34 HA GLU 34 12.981 14.291 14.291 911 1HB GLU 34 HB2 GLU 34 10.895 13.074 13.074 912 2HB GLU 34 HB1 GLU 34 10.591 12.657 12.657 913 1HG GLU 34 HG2 GLU 34 11.016 15.506 15.506 914 2HG GLU 34 HG1 GLU 34 9.419 14.760 14.760 915 H ARG 35 HN ARG 35 12.592 11.661 11.661 916 HA ARG 35 HA ARG 35 12.446 13.464 13.464 917 1HB ARG 35 HB2 ARG 35 12.296 10.572 10.572 918 2HB ARG 35 HB1 ARG 35 13.172 10.981 10.981 919 1HG ARG 35 HG2 ARG 35 11.319 12.131 12.131 920 2HG ARG 35 HG1 ARG 35 10.507 12.243 12.243 921 1HD ARG 35 HD2 ARG 35 10.748 9.546 9.546 922 2HD ARG 35 HD1 ARG 35 10.594 9.993 9.993 923 HE ARG 35 HE ARG 35 8.561 11.404 11.404 924 1HH1 ARG 35 HH11 ARG 35 8.277 9.323 9.323 925 2HH1 ARG 35 HH12 ARG 35 7.272 8.139 8.139 926 1HH2 ARG 35 HH21 ARG 35 7.824 9.356 9.356 927 2HH2 ARG 35 HH22 ARG 35 7.017 8.157 8.157 928 H GLU 36 HN GLU 36 14.920 11.686 11.686 929 HA GLU 36 HA GLU 36 16.975 12.269 12.269 930 1HB GLU 36 HB2 GLU 36 16.724 10.575 10.575 931 2HB GLU 36 HB1 GLU 36 18.237 11.482 11.482 932 1HG GLU 36 HG2 GLU 36 18.346 9.253 9.253 933 2HG GLU 36 HG1 GLU 36 18.870 10.643 10.643 934 H ASN 37 HN ASN 37 15.769 13.603 13.603 935 HA ASN 37 HA ASN 37 18.037 15.392 15.392 936 1HB ASN 37 HB2 ASN 37 16.592 14.656 14.656 937 2HB ASN 37 HB1 ASN 37 15.234 15.516 15.516 938 1HD2 ASN 37 HD22 ASN 37 16.329 18.709 18.709 939 2HD2 ASN 37 HD21 ASN 37 15.207 17.843 17.843 940 H THR 38 HN THR 38 14.799 15.625 15.625 941 HA THR 38 HA THR 38 15.023 18.467 18.467 942 HB THR 38 HB THR 38 13.248 16.480 16.480 943 HG1 THR 38 HG1 THR 38 13.051 17.641 17.641 944 1HG2 THR 38 HG22 THR 38 13.329 19.447 19.447 945 2HG2 THR 38 HG21 THR 38 11.762 18.659 18.659 946 3HG2 THR 38 HG23 THR 38 12.969 18.526 18.526 947 H LEU 39 HN LEU 39 15.910 15.490 15.490 948 HA LEU 39 HA LEU 39 16.412 16.689 16.689 949 1HB LEU 39 HB2 LEU 39 16.036 14.307 14.307 950 2HB LEU 39 HB1 LEU 39 17.323 14.097 14.097 951 HG LEU 39 HG LEU 39 18.947 14.975 14.975 952 1HD1 LEU 39 HD11 LEU 39 16.421 15.329 15.329 953 2HD1 LEU 39 HD13 LEU 39 17.637 14.475 14.475 954 3HD1 LEU 39 HD12 LEU 39 17.993 16.073 16.073 955 1HD2 LEU 39 HD23 LEU 39 17.321 12.509 12.509 956 2HD2 LEU 39 HD22 LEU 39 18.751 12.574 12.574 957 3HD2 LEU 39 HD21 LEU 39 18.896 12.884 12.884 958 H LEU 40 HN LEU 40 18.388 15.910 15.910 959 HA LEU 40 HA LEU 40 20.841 16.904 16.904 960 1HB LEU 40 HB2 LEU 40 20.077 15.949 15.949 961 2HB LEU 40 HB1 LEU 40 21.614 16.774 16.774 962 HG LEU 40 HG LEU 40 20.785 14.471 14.471 963 1HD1 LEU 40 HD13 LEU 40 21.894 14.419 14.419 964 2HD1 LEU 40 HD12 LEU 40 22.411 13.193 13.193 965 3HD1 LEU 40 HD11 LEU 40 20.704 13.352 13.352 966 1HD2 LEU 40 HD21 LEU 40 23.094 16.210 16.210 967 2HD2 LEU 40 HD23 LEU 40 22.738 15.082 15.082 968 3HD2 LEU 40 HD22 LEU 40 23.545 14.512 14.512 969 H LYS 41 HN LYS 41 18.193 18.226 18.226 970 HA LYS 41 HA LYS 41 19.616 20.623 20.623 971 1HB LYS 41 HB2 LYS 41 17.531 19.589 19.589 972 2HB LYS 41 HB1 LYS 41 16.619 20.293 20.293 973 1HG LYS 41 HG2 LYS 41 17.458 22.529 22.529 974 2HG LYS 41 HG1 LYS 41 18.413 21.840 21.840 975 1HD LYS 41 HD2 LYS 41 16.067 20.834 20.834 976 2HD LYS 41 HD1 LYS 41 15.449 22.201 22.201 977 1HE LYS 41 HE2 LYS 41 15.872 23.546 23.546 978 2HE LYS 41 HE1 LYS 41 17.590 23.189 23.189 979 1HZ LYS 41 HZ3 LYS 41 16.276 21.015 21.015 980 2HZ LYS 41 HZ2 LYS 41 15.912 22.442 22.442 981 3HZ LYS 41 HZ1 LYS 41 17.530 21.980 21.980 982 H THR 42 HN THR 42 17.602 19.639 19.639 983 HA THR 42 HA THR 42 17.466 22.356 22.356 984 HB THR 42 HB THR 42 16.463 21.163 21.163 985 HG1 THR 42 HG1 THR 42 16.825 19.117 19.117 986 1HG2 THR 42 HG23 THR 42 15.063 21.998 21.998 987 2HG2 THR 42 HG22 THR 42 15.270 20.456 20.456 988 3HG2 THR 42 HG21 THR 42 14.399 20.523 20.523 989 H LEU 43 HN LEU 43 19.328 19.397 19.397 990 HA LEU 43 HA LEU 43 20.712 20.321 20.321 991 1HB LEU 43 HB2 LEU 43 20.667 17.951 17.951 992 2HB LEU 43 HB1 LEU 43 21.374 18.186 18.186 993 HG LEU 43 HG LEU 43 23.045 19.415 19.415 994 1HD1 LEU 43 HD13 LEU 43 22.156 16.569 16.569 995 2HD1 LEU 43 HD12 LEU 43 23.771 17.092 17.092 996 3HD1 LEU 43 HD11 LEU 43 22.351 17.862 17.862 997 1HD2 LEU 43 HD22 LEU 43 23.244 18.000 18.000 998 2HD2 LEU 43 HD21 LEU 43 24.562 18.734 18.734 999 3HD2 LEU 43 HD23 LEU 43 24.134 17.043 17.043 1000 H ALA 44 HN ALA 44 21.589 20.214 20.214 1001 HA ALA 44 HA ALA 44 24.109 21.591 21.591 1002 1HB ALA 44 HB2 ALA 44 23.518 20.083 20.083 1003 2HB ALA 44 HB1 ALA 44 22.553 21.425 21.425 1004 3HB ALA 44 HB3 ALA 44 24.295 21.611 21.611 1005 H SER 45 HN SER 45 20.841 22.548 22.548 1006 HA SER 45 HA SER 45 21.634 25.388 25.388 1007 1HB SER 45 HB2 SER 45 20.387 26.121 26.121 1008 2HB SER 45 HB1 SER 45 21.370 24.775 24.775 1009 HG SER 45 HG SER 45 19.050 24.764 24.764 1010 HA PRO 46 HA PRO 46 18.067 24.400 24.400 1011 1HB PRO 46 HB2 PRO 46 18.878 26.079 26.079 1012 2HB PRO 46 HB1 PRO 46 19.425 24.401 24.401 1013 1HG PRO 46 HG2 PRO 46 20.899 26.926 26.926 1014 2HG PRO 46 HG1 PRO 46 21.534 25.344 25.344 1015 1HD PRO 46 HD2 PRO 46 21.533 26.380 26.380 1016 2HD PRO 46 HD1 PRO 46 21.802 24.680 24.680 1017 H GLU 47 HN GLU 47 19.481 27.688 27.688 1018 HA GLU 47 HA GLU 47 18.450 29.757 29.757 1019 1HB GLU 47 HB2 GLU 47 17.362 27.916 27.916 1020 2HB GLU 47 HB1 GLU 47 16.033 28.924 28.924 1021 1HG GLU 47 HG2 GLU 47 18.363 30.564 30.564 1022 2HG GLU 47 HG1 GLU 47 18.038 29.627 29.627 1023 H GLN 48 HN GLN 48 15.298 28.061 28.061 1024 HA GLN 48 HA GLN 48 14.818 28.510 28.510 1025 1HB GLN 48 HB2 GLN 48 15.020 30.912 30.912 1026 2HB GLN 48 HB1 GLN 48 13.449 30.586 30.586 1027 1HG GLN 48 HG2 GLN 48 12.834 29.784 29.784 1028 2HG GLN 48 HG1 GLN 48 14.170 30.845 30.845 1029 1HE2 GLN 48 HE22 GLN 48 12.123 33.689 33.689 1030 2HE2 GLN 48 HE21 GLN 48 13.426 32.909 32.909 1031 H LEU 49 HN LEU 49 14.274 26.661 26.661 1032 HA LEU 49 HA LEU 49 11.603 25.903 25.903 1033 1HB LEU 49 HB2 LEU 49 11.123 26.171 26.171 1034 2HB LEU 49 HB1 LEU 49 10.386 27.108 27.108 1035 HG LEU 49 HG LEU 49 12.981 28.126 28.126 1036 1HD1 LEU 49 HD12 LEU 49 11.390 27.117 27.117 1037 2HD1 LEU 49 HD11 LEU 49 10.990 28.832 28.832 1038 3HD1 LEU 49 HD13 LEU 49 12.664 28.325 28.325 1039 1HD2 LEU 49 HD22 LEU 49 10.551 28.986 28.986 1040 2HD2 LEU 49 HD21 LEU 49 11.929 30.009 30.009 1041 3HD2 LEU 49 HD23 LEU 49 10.649 29.734 29.734 1042 H GLU 50 HN GLU 50 10.764 24.575 24.575 1043 HA GLU 50 HA GLU 50 12.730 22.438 22.438 1044 1HB GLU 50 HB2 GLU 50 10.017 22.389 22.389 1045 2HB GLU 50 HB1 GLU 50 10.891 21.089 21.089 1046 1HG GLU 50 HG2 GLU 50 10.496 22.792 22.792 1047 2HG GLU 50 HG1 GLU 50 9.051 23.120 23.120 1048 H LYS 51 HN LYS 51 10.795 24.927 24.927 1049 HA LYS 51 HA LYS 51 12.178 26.198 26.198 1050 1HB LYS 51 HB2 LYS 51 12.540 23.448 23.448 1051 2HB LYS 51 HB1 LYS 51 11.913 24.395 24.395 1052 1HG LYS 51 HG2 LYS 51 14.368 24.489 24.489 1053 2HG LYS 51 HG1 LYS 51 13.708 26.075 26.075 1054 1HD LYS 51 HD2 LYS 51 14.665 24.131 24.131 1055 2HD LYS 51 HD1 LYS 51 15.695 25.357 25.357 1056 1HE LYS 51 HE2 LYS 51 13.781 27.019 27.019 1057 2HE LYS 51 HE1 LYS 51 13.296 25.728 25.728 1058 1HZ LYS 51 HZ1 LYS 51 16.013 25.908 25.908 1059 2HZ LYS 51 HZ3 LYS 51 15.507 27.523 27.523 1060 3HZ LYS 51 HZ2 LYS 51 14.842 26.510 26.510 1061 H PHE 52 HN PHE 52 10.867 27.500 27.500 1062 HA PHE 52 HA PHE 52 8.900 26.826 26.826 1063 1HB PHE 52 HB2 PHE 52 6.942 27.578 27.578 1064 2HB PHE 52 HB1 PHE 52 7.285 25.911 25.911 1065 HD1 PHE 52 HD2 PHE 52 8.936 28.456 28.456 1066 HD2 PHE 52 HD1 PHE 52 7.440 24.463 24.463 1067 HE1 PHE 52 HE2 PHE 52 9.642 27.916 27.916 1068 HE2 PHE 52 HE1 PHE 52 8.216 23.915 23.915 1069 HZ PHE 52 HZ PHE 52 9.292 25.643 25.643 1070 H GLN 53 HN GLN 53 7.832 28.983 28.983 1071 HA GLN 53 HA GLN 53 8.343 31.278 31.278 1072 1HB GLN 53 HB2 GLN 53 6.852 32.396 32.396 1073 2HB GLN 53 HB1 GLN 53 6.113 31.311 31.311 1074 1HG GLN 53 HG2 GLN 53 7.155 30.184 30.184 1075 2HG GLN 53 HG1 GLN 53 5.619 31.042 31.042 1076 1HE2 GLN 53 HE22 GLN 53 5.217 27.313 27.313 1077 2HE2 GLN 53 HE21 GLN 53 6.108 28.083 28.083 1078 H SER 54 HN SER 54 10.048 29.820 29.820 1079 HA SER 54 HA SER 54 11.681 30.565 30.565 1080 1HB SER 54 HB2 SER 54 11.643 32.489 32.489 1081 2HB SER 54 HB1 SER 54 12.412 33.074 33.074 1082 HG SER 54 HG SER 54 12.968 30.626 30.626 1083 H ARG 55 HN ARG 55 9.383 30.797 30.797 1084 HA ARG 55 HA ARG 55 9.694 33.014 33.014 1085 1HB ARG 55 HB2 ARG 55 7.524 34.170 34.170 1086 2HB ARG 55 HB1 ARG 55 8.856 34.385 34.385 1087 1HG ARG 55 HG2 ARG 55 7.753 33.289 33.289 1088 2HG ARG 55 HG1 ARG 55 7.340 31.945 31.945 1089 1HD ARG 55 HD2 ARG 55 5.393 33.370 33.370 1090 2HD ARG 55 HD1 ARG 55 5.375 33.028 33.028 1091 HE ARG 55 HE ARG 55 6.676 35.552 35.552 1092 1HH1 ARG 55 HH21 ARG 55 5.130 34.357 34.357 1093 2HH1 ARG 55 HH22 ARG 55 3.874 35.547 35.547 1094 1HH2 ARG 55 HH11 ARG 55 4.539 36.902 36.902 1095 2HH2 ARG 55 HH12 ARG 55 3.539 36.987 36.987 1096 H LEU 56 HN LEU 56 9.087 30.087 30.087 1097 HA LEU 56 HA LEU 56 7.245 29.907 29.907 1098 1HB LEU 56 HB2 LEU 56 5.270 28.999 28.999 1099 2HB LEU 56 HB1 LEU 56 5.602 30.622 30.622 1100 HG LEU 56 HG LEU 56 5.332 29.659 29.659 1101 1HD1 LEU 56 HD13 LEU 56 8.145 28.686 28.686 1102 2HD1 LEU 56 HD12 LEU 56 7.427 28.800 28.800 1103 3HD1 LEU 56 HD11 LEU 56 7.697 30.249 30.249 1104 1HD2 LEU 56 HD23 LEU 56 4.926 27.413 27.413 1105 2HD2 LEU 56 HD22 LEU 56 5.078 27.413 27.413 1106 3HD2 LEU 56 HD21 LEU 56 6.463 26.982 26.982 1107 H SER 57 HN SER 57 6.074 27.396 27.396 1108 HA SER 57 HA SER 57 7.789 25.534 25.534 1109 1HB SER 57 HB2 SER 57 8.326 24.638 24.638 1110 2HB SER 57 HB1 SER 57 9.484 25.238 25.238 1111 HG SER 57 HG SER 57 9.752 26.795 26.795 1112 HA PRO 58 HA PRO 58 4.663 23.191 23.191 1113 1HB PRO 58 HB2 PRO 58 3.380 24.555 24.555 1114 2HB PRO 58 HB1 PRO 58 4.898 23.672 23.672 1115 1HG PRO 58 HG2 PRO 58 4.447 26.618 26.618 1116 2HG PRO 58 HG1 PRO 58 5.743 25.729 25.729 1117 1HD PRO 58 HD2 PRO 58 5.963 27.042 27.042 1118 2HD PRO 58 HD1 PRO 58 7.118 25.873 25.873 1119 H GLU 59 HN GLU 59 3.115 23.035 23.035 1120 HA GLU 59 HA GLU 59 1.443 23.764 23.764 1121 1HB GLU 59 HB2 GLU 59 0.553 23.171 23.171 1122 2HB GLU 59 HB1 GLU 59 -0.301 24.653 24.653 1123 1HG GLU 59 HG2 GLU 59 -1.657 22.842 22.842 1124 2HG GLU 59 HG1 GLU 59 -0.877 23.540 23.540 1125 H GLU 60 HN GLU 60 2.080 25.613 25.613 1126 HA GLU 60 HA GLU 60 2.701 28.123 28.123 1127 1HB GLU 60 HB2 GLU 60 0.244 27.528 27.528 1128 2HB GLU 60 HB1 GLU 60 1.292 28.939 28.939 1129 1HG GLU 60 HG2 GLU 60 2.736 27.796 27.796 1130 2HG GLU 60 HG1 GLU 60 2.876 26.524 26.524 1131 HA PRO 61 HA PRO 61 -0.502 29.133 29.133 1132 1HB PRO 61 HB2 PRO 61 1.271 30.286 30.286 1133 2HB PRO 61 HB1 PRO 61 0.913 28.551 28.551 1134 1HG PRO 61 HG2 PRO 61 3.348 29.976 29.976 1135 2HG PRO 61 HG1 PRO 61 3.171 28.300 28.300 1136 1HD PRO 61 HD2 PRO 61 3.332 29.184 29.184 1137 2HD PRO 61 HD1 PRO 61 2.886 27.554 27.554 1138 H ALA 62 HN ALA 62 -0.596 31.439 31.439 1139 HA ALA 62 HA ALA 62 0.392 33.627 33.627 1140 1HB ALA 62 HB3 ALA 62 -2.531 33.242 33.242 1141 2HB ALA 62 HB2 ALA 62 -1.857 34.645 34.645 1142 3HB ALA 62 HB1 ALA 62 -1.836 33.064 33.064 1143 HA PRO 63 HA PRO 63 0.446 34.409 34.409 1144 1HB PRO 63 HB2 PRO 63 3.177 34.677 34.677 1145 2HB PRO 63 HB1 PRO 63 2.329 33.134 33.134 1146 1HG PRO 63 HG2 PRO 63 3.938 34.102 34.102 1147 2HG PRO 63 HG1 PRO 63 3.622 32.442 32.442 1148 1HD PRO 63 HD2 PRO 63 2.338 33.767 33.767 1149 2HD PRO 63 HD1 PRO 63 1.811 32.250 32.250 1150 H GLU 64 HN GLU 64 1.939 36.342 36.342 1151 HA GLU 64 HA GLU 64 1.271 38.703 38.703 1152 1HB GLU 64 HB2 GLU 64 0.831 38.666 38.666 1153 2HB GLU 64 HB1 GLU 64 2.564 38.511 38.511 1154 1HG GLU 64 HG2 GLU 64 2.613 40.663 40.663 1155 2HG GLU 64 HG1 GLU 64 1.003 40.875 40.875 1156 H THR 65 HN THR 65 3.050 37.667 37.667 1157 HA THR 65 HA THR 65 5.815 38.148 38.148 1158 HB THR 65 HB THR 65 6.351 37.441 37.441 1159 HG1 THR 65 HG1 THR 65 3.762 37.753 37.753 1160 1HG2 THR 65 HG21 THR 65 4.577 35.977 35.977 1161 2HG2 THR 65 HG23 THR 65 3.764 36.041 36.041 1162 3HG2 THR 65 HG22 THR 65 5.396 35.386 35.386 1163 HA PRO 66 HA PRO 66 5.949 42.446 42.446 1164 1HB PRO 66 HB2 PRO 66 8.667 42.671 42.671 1165 2HB PRO 66 HB1 PRO 66 7.895 42.499 42.499 1166 1HG PRO 66 HG2 PRO 66 9.422 40.475 40.475 1167 2HG PRO 66 HG1 PRO 66 9.189 40.592 40.592 1168 1HD PRO 66 HD2 PRO 66 7.817 38.829 38.829 1169 2HD PRO 66 HD1 PRO 66 7.368 39.201 39.201 1170 H GLU 67 HN GLU 67 7.341 43.886 43.886 1171 HA GLU 67 HA GLU 67 6.914 42.540 42.540 1172 1HB GLU 67 HB2 GLU 67 6.699 44.939 44.939 1173 2HB GLU 67 HB1 GLU 67 5.390 44.373 44.373 1174 1HG GLU 67 HG2 GLU 67 6.046 45.695 45.695 1175 2HG GLU 67 HG1 GLU 67 7.741 45.700 45.700 1176 H ALA 68 HN ALA 68 8.268 44.101 44.101 1177 HA ALA 68 HA ALA 68 10.830 45.031 45.031 1178 1HB ALA 68 HB1 ALA 68 11.072 42.560 42.560 1179 2HB ALA 68 HB3 ALA 68 10.898 42.270 42.270 1180 3HB ALA 68 HB2 ALA 68 12.267 43.203 43.203 1181 HA PRO 69 HA PRO 69 10.080 46.350 46.350 1182 1HB PRO 69 HB2 PRO 69 11.995 48.323 48.323 1183 2HB PRO 69 HB1 PRO 69 10.384 48.513 48.513 1184 1HG PRO 69 HG2 PRO 69 13.005 48.104 48.104 1185 2HG PRO 69 HG1 PRO 69 11.542 48.907 48.907 1186 1HD PRO 69 HD2 PRO 69 12.382 46.293 46.293 1187 2HD PRO 69 HD1 PRO 69 10.773 46.983 46.983 1188 H GLU 70 HN GLU 70 11.977 47.128 47.128 1189 HA GLU 70 HA GLU 70 13.594 44.687 44.687 1190 1HB GLU 70 HB2 GLU 70 13.203 47.117 47.117 1191 2HB GLU 70 HB1 GLU 70 14.130 45.684 45.684 1192 1HG GLU 70 HG2 GLU 70 11.542 44.897 44.897 1193 2HG GLU 70 HG1 GLU 70 11.347 46.078 46.078 1194 H ALA 71 HN ALA 71 15.896 45.324 45.324 1195 HA ALA 71 HA ALA 71 17.162 47.518 47.518 1196 1HB ALA 71 HB1 ALA 71 17.283 44.926 44.926 1197 2HB ALA 71 HB3 ALA 71 18.763 45.053 45.053 1198 3HB ALA 71 HB2 ALA 71 18.461 46.189 46.189 1199 HA PRO 72 HA PRO 72 18.713 47.134 47.134 1200 1HB PRO 72 HB2 PRO 72 18.244 49.767 49.767 1201 2HB PRO 72 HB1 PRO 72 17.049 48.476 48.476 1202 1HG PRO 72 HG2 PRO 72 17.139 50.620 50.620 1203 2HG PRO 72 HG1 PRO 72 15.745 49.732 49.732 1204 1HD PRO 72 HD2 PRO 72 17.030 49.254 49.254 1205 2HD PRO 72 HD1 PRO 72 15.846 48.191 48.191 1206 H GLY 73 HN GLY 73 20.887 46.939 46.939 1207 1HA GLY 73 HA2 GLY 73 22.995 48.268 48.268 1208 2HA GLY 73 HA1 GLY 73 22.250 49.536 49.536 1209 H GLY 74 HN GLY 74 24.394 46.984 46.984 1210 1HA GLY 74 HA2 GLY 74 23.955 46.663 46.663 1211 2HA GLY 74 HA1 GLY 74 24.617 45.382 45.382 1212 H SER 75 HN SER 75 26.812 45.323 45.323 1213 HA SER 75 HA SER 75 29.068 45.936 45.936 1214 1HB SER 75 HB2 SER 75 27.660 48.521 48.521 1215 2HB SER 75 HB1 SER 75 29.302 48.607 48.607 1216 HG SER 75 HG SER 75 29.892 48.243 48.243 1217 H ALA 76 HN ALA 76 30.538 46.343 46.343 1218 HA ALA 76 HA ALA 76 29.246 46.755 46.755 1219 1HB ALA 76 HB3 ALA 76 31.016 44.877 44.877 1220 2HB ALA 76 HB2 ALA 76 32.153 46.131 46.131 1221 3HB ALA 76 HB1 ALA 76 30.964 45.514 45.514 1222 H VAL 77 HN VAL 77 29.008 49.026 49.026 1223 HA VAL 77 HA VAL 77 31.244 50.790 50.790 1224 HB VAL 77 HB VAL 77 29.773 52.580 52.580 1225 1HG1 VAL 77 HG11 VAL 77 29.341 51.206 51.206 1226 2HG1 VAL 77 HG13 VAL 77 27.919 50.616 50.616 1227 3HG1 VAL 77 HG12 VAL 77 28.110 52.342 52.342 1228 1HG2 VAL 77 HG23 VAL 77 28.933 51.388 51.388 1229 2HG2 VAL 77 HG22 VAL 77 27.621 52.082 52.082 1230 3HG2 VAL 77 HG21 VAL 77 27.957 50.353 50.353 Start of MODEL 7 1 1H ACE 0 HA1 ACE 0 13.872 -5.130 -5.130 2 2H ACE 0 HA2 ACE 0 13.285 -3.534 -3.534 3 3H ACE 0 HA3 ACE 0 12.241 -4.626 -4.626 4 H MET 1 HN MET 1 14.184 -6.072 -6.072 5 HA MET 1 HA MET 1 11.734 -6.578 -6.578 6 1HB MET 1 HB2 MET 1 14.504 -7.802 -7.802 7 2HB MET 1 HB1 MET 1 13.078 -8.329 -8.329 8 1HG MET 1 HG2 MET 1 12.661 -9.726 -9.726 9 2HG MET 1 HG1 MET 1 12.223 -8.292 -8.292 10 1HE MET 1 HE1 MET 1 13.521 -11.241 -11.241 11 2HE MET 1 HE3 MET 1 13.307 -10.635 -10.635 12 3HE MET 1 HE2 MET 1 14.878 -11.234 -11.234 13 H ASP 2 HN ASP 2 12.505 -3.985 -3.985 14 HA ASP 2 HA ASP 2 13.435 -3.972 -3.972 15 1HB ASP 2 HB2 ASP 2 15.060 -3.129 -3.129 16 2HB ASP 2 HB1 ASP 2 14.607 -1.701 -1.701 17 H LEU 3 HN LEU 3 11.032 -3.258 -3.258 18 HA LEU 3 HA LEU 3 10.542 -0.453 -0.453 19 1HB LEU 3 HB2 LEU 3 8.386 -0.808 -0.808 20 2HB LEU 3 HB1 LEU 3 9.576 -1.705 -1.705 21 HG LEU 3 HG LEU 3 8.171 -3.107 -3.107 22 1HD1 LEU 3 HD13 LEU 3 6.893 -1.958 -1.958 23 2HD1 LEU 3 HD12 LEU 3 6.681 -3.705 -3.705 24 3HD1 LEU 3 HD11 LEU 3 6.156 -2.671 -2.671 25 1HD2 LEU 3 HD23 LEU 3 9.576 -3.774 -3.774 26 2HD2 LEU 3 HD22 LEU 3 9.709 -4.543 -4.543 27 3HD2 LEU 3 HD21 LEU 3 8.312 -4.868 -4.868 28 H VAL 4 HN VAL 4 9.921 -3.457 -3.457 29 HA VAL 4 HA VAL 4 7.781 -2.582 -2.582 30 HB VAL 4 HB VAL 4 8.241 -4.566 -4.566 31 1HG1 VAL 4 HG12 VAL 4 8.012 -4.558 -4.558 32 2HG1 VAL 4 HG11 VAL 4 9.239 -5.771 -5.771 33 3HG1 VAL 4 HG13 VAL 4 7.634 -5.896 -5.896 34 1HG2 VAL 4 HG23 VAL 4 10.987 -4.332 -4.332 35 2HG2 VAL 4 HG22 VAL 4 10.572 -4.374 -4.374 36 3HG2 VAL 4 HG21 VAL 4 10.420 -5.832 -5.832 37 H LYS 5 HN LYS 5 11.216 -2.105 -2.105 38 HA LYS 5 HA LYS 5 11.454 -1.413 -1.413 39 1HB LYS 5 HB2 LYS 5 13.188 -1.709 -1.709 40 2HB LYS 5 HB1 LYS 5 13.425 -0.076 -0.076 41 1HG LYS 5 HG2 LYS 5 14.922 -1.604 -1.604 42 2HG LYS 5 HG1 LYS 5 13.684 -1.034 -1.034 43 1HD LYS 5 HD2 LYS 5 12.759 -3.393 -3.393 44 2HD LYS 5 HD1 LYS 5 14.306 -3.714 -3.714 45 1HE LYS 5 HE2 LYS 5 13.465 -3.324 -3.324 46 2HE LYS 5 HE1 LYS 5 12.214 -2.226 -2.226 47 1HZ LYS 5 HZ2 LYS 5 12.249 -5.165 -5.165 48 2HZ LYS 5 HZ1 LYS 5 11.303 -4.357 -4.357 49 3HZ LYS 5 HZ3 LYS 5 11.026 -4.093 -4.093 50 H ASN 6 HN ASN 6 10.250 0.290 0.290 51 HA ASN 6 HA ASN 6 10.121 2.777 2.777 52 1HB ASN 6 HB2 ASN 6 11.522 2.362 2.362 53 2HB ASN 6 HB1 ASN 6 10.219 3.526 3.526 54 1HD2 ASN 6 HD22 ASN 6 11.976 6.093 6.093 55 2HD2 ASN 6 HD21 ASN 6 10.770 5.650 5.650 56 H HIS 7 HN HIS 7 8.319 0.471 0.471 57 HA HIS 7 HA HIS 7 6.308 1.902 1.902 58 1HB HIS 7 HB2 HIS 7 4.837 -0.027 -0.027 59 2HB HIS 7 HB1 HIS 7 6.401 -0.589 -0.589 60 HD1 HIS 7 HD1 HIS 7 5.194 -2.522 -2.522 61 HD2 HIS 7 HD2 HIS 7 7.459 0.788 0.788 62 HE1 HIS 7 HE1 HIS 7 6.026 -3.015 -3.015 63 H LEU 8 HN LEU 8 7.446 2.325 2.325 64 HA LEU 8 HA LEU 8 4.977 2.885 2.885 65 1HB LEU 8 HB2 LEU 8 6.735 3.670 3.670 66 2HB LEU 8 HB1 LEU 8 6.782 1.966 1.966 67 HG LEU 8 HG LEU 8 8.742 2.183 2.183 68 1HD1 LEU 8 HD13 LEU 8 8.223 5.172 5.172 69 2HD1 LEU 8 HD12 LEU 8 9.583 4.309 4.309 70 3HD1 LEU 8 HD11 LEU 8 7.956 3.994 3.994 71 1HD2 LEU 8 HD21 LEU 8 8.641 3.704 3.704 72 2HD2 LEU 8 HD23 LEU 8 9.913 2.641 2.641 73 3HD2 LEU 8 HD22 LEU 8 9.882 4.339 4.339 74 H MET 9 HN MET 9 5.962 5.204 5.204 75 HA MET 9 HA MET 9 5.389 7.517 7.517 76 1HB MET 9 HB2 MET 9 7.857 7.253 7.253 77 2HB MET 9 HB1 MET 9 7.982 7.149 7.149 78 1HG MET 9 HG2 MET 9 6.412 9.460 9.460 79 2HG MET 9 HG1 MET 9 7.983 9.492 9.492 80 1HE MET 9 HE2 MET 9 6.474 11.180 11.180 81 2HE MET 9 HE1 MET 9 7.679 11.860 11.860 82 3HE MET 9 HE3 MET 9 6.470 10.724 10.724 83 H TYR 10 HN TYR 10 7.021 6.866 6.866 84 HA TYR 10 HA TYR 10 5.820 8.434 8.434 85 1HB TYR 10 HB2 TYR 10 6.828 6.879 6.879 86 2HB TYR 10 HB1 TYR 10 7.084 5.888 5.888 87 HD1 TYR 10 HD2 TYR 10 4.583 6.613 6.613 88 HD2 TYR 10 HD1 TYR 10 5.999 3.885 3.885 89 HE1 TYR 10 HE2 TYR 10 3.078 4.877 4.877 90 HE2 TYR 10 HE1 TYR 10 4.480 2.125 2.125 91 HH TYR 10 HH TYR 10 2.736 1.731 1.731 92 H ALA 11 HN ALA 11 4.456 5.491 5.491 93 HA ALA 11 HA ALA 11 1.665 6.294 6.294 94 1HB ALA 11 HB3 ALA 11 3.111 3.632 3.632 95 2HB ALA 11 HB2 ALA 11 1.357 3.746 3.746 96 3HB ALA 11 HB1 ALA 11 2.237 4.315 4.315 97 H VAL 12 HN VAL 12 3.831 4.499 4.499 98 HA VAL 12 HA VAL 12 3.986 4.377 4.377 99 HB VAL 12 HB VAL 12 2.218 6.430 6.430 100 1HG1 VAL 12 HG11 VAL 12 0.398 4.529 4.529 101 2HG1 VAL 12 HG13 VAL 12 0.619 4.435 4.435 102 3HG1 VAL 12 HG12 VAL 12 0.095 5.946 5.946 103 1HG2 VAL 12 HG22 VAL 12 3.756 5.163 5.163 104 2HG2 VAL 12 HG21 VAL 12 2.974 6.737 6.737 105 3HG2 VAL 12 HG23 VAL 12 2.153 5.287 5.287 106 H ARG 13 HN ARG 13 2.760 2.724 2.724 107 HA ARG 13 HA ARG 13 0.684 1.067 1.067 108 1HB ARG 13 HB2 ARG 13 3.256 0.807 0.807 109 2HB ARG 13 HB1 ARG 13 2.695 -0.732 -0.732 110 1HG ARG 13 HG2 ARG 13 1.886 -0.301 -0.301 111 2HG ARG 13 HG1 ARG 13 0.569 -0.482 -0.482 112 1HD ARG 13 HD2 ARG 13 0.876 2.155 2.155 113 2HD ARG 13 HD1 ARG 13 1.511 1.956 1.956 114 HE ARG 13 HE ARG 13 -1.267 1.288 1.288 115 1HH1 ARG 13 HH21 ARG 13 -1.103 -0.472 -0.472 116 2HH1 ARG 13 HH22 ARG 13 -1.207 0.464 0.464 117 1HH2 ARG 13 HH11 ARG 13 -0.417 3.459 3.459 118 2HH2 ARG 13 HH12 ARG 13 -0.819 2.688 2.688 119 H GLU 14 HN GLU 14 0.089 -0.174 -0.174 120 HA GLU 14 HA GLU 14 0.309 -1.727 -1.727 121 1HB GLU 14 HB2 GLU 14 2.515 -2.340 -2.340 122 2HB GLU 14 HB1 GLU 14 3.292 -1.310 -1.310 123 1HG GLU 14 HG2 GLU 14 3.309 -3.581 -3.581 124 2HG GLU 14 HG1 GLU 14 2.147 -2.657 -2.657 125 H GLU 15 HN GLU 15 -0.144 1.089 1.089 126 HA GLU 15 HA GLU 15 0.109 1.353 1.353 127 1HB GLU 15 HB2 GLU 15 2.028 3.055 3.055 128 2HB GLU 15 HB1 GLU 15 2.485 1.364 1.364 129 1HG GLU 15 HG2 GLU 15 2.675 1.695 1.695 130 2HG GLU 15 HG1 GLU 15 2.247 3.394 3.394 131 H VAL 16 HN VAL 16 -0.142 3.702 3.702 132 HA VAL 16 HA VAL 16 -1.811 5.139 5.139 133 HB VAL 16 HB VAL 16 -1.613 5.897 5.897 134 1HG1 VAL 16 HG13 VAL 16 -3.148 6.692 6.692 135 2HG1 VAL 16 HG12 VAL 16 -4.247 5.854 5.854 136 3HG1 VAL 16 HG11 VAL 16 -3.320 7.241 7.241 137 1HG2 VAL 16 HG23 VAL 16 -3.210 3.601 3.601 138 2HG2 VAL 16 HG22 VAL 16 -1.964 3.493 3.493 139 3HG2 VAL 16 HG21 VAL 16 -3.499 4.288 4.288 140 H GLU 17 HN GLU 17 -1.431 7.383 7.383 141 HA GLU 17 HA GLU 17 1.314 8.197 8.197 142 1HB GLU 17 HB2 GLU 17 0.311 10.478 10.478 143 2HB GLU 17 HB1 GLU 17 -0.145 9.149 9.149 144 1HG GLU 17 HG2 GLU 17 -2.289 8.935 8.935 145 2HG GLU 17 HG1 GLU 17 -1.822 9.921 9.921 146 H ILE 18 HN ILE 18 -1.339 8.850 8.850 147 HA ILE 18 HA ILE 18 -0.005 10.914 10.914 148 HB ILE 18 HB ILE 18 -2.148 8.964 8.964 149 1HG1 ILE 18 HG12 ILE 18 -3.082 11.627 11.627 150 2HG1 ILE 18 HG11 ILE 18 -2.204 11.034 11.034 151 1HG2 ILE 18 HG23 ILE 18 -0.957 11.463 11.463 152 2HG2 ILE 18 HG22 ILE 18 -2.654 11.087 11.087 153 3HG2 ILE 18 HG21 ILE 18 -1.397 9.956 9.956 154 1HD1 ILE 18 HD13 ILE 18 -3.809 8.892 8.892 155 2HD1 ILE 18 HD12 ILE 18 -4.833 10.321 10.321 156 3HD1 ILE 18 HD11 ILE 18 -3.951 9.725 9.725 157 H LEU 19 HN LEU 19 -0.359 7.400 7.400 158 HA LEU 19 HA LEU 19 1.261 7.382 7.382 159 1HB LEU 19 HB2 LEU 19 0.359 5.245 5.245 160 2HB LEU 19 HB1 LEU 19 1.429 4.869 4.869 161 HG LEU 19 HG LEU 19 -0.444 6.303 6.303 162 1HD1 LEU 19 HD11 LEU 19 -1.854 4.979 4.979 163 2HD1 LEU 19 HD13 LEU 19 -2.675 5.554 5.554 164 3HD1 LEU 19 HD12 LEU 19 -1.846 6.697 6.697 165 1HD2 LEU 19 HD23 LEU 19 0.374 3.658 3.658 166 2HD2 LEU 19 HD22 LEU 19 -0.774 4.312 4.312 167 3HD2 LEU 19 HD21 LEU 19 -1.359 3.548 3.548 168 H LYS 20 HN LYS 20 1.996 7.242 7.242 169 HA LYS 20 HA LYS 20 4.709 6.252 6.252 170 1HB LYS 20 HB2 LYS 20 3.460 6.020 6.020 171 2HB LYS 20 HB1 LYS 20 3.458 7.774 7.774 172 1HG LYS 20 HG2 LYS 20 5.285 6.819 6.819 173 2HG LYS 20 HG1 LYS 20 5.946 7.752 7.752 174 1HD LYS 20 HD2 LYS 20 5.501 5.091 5.091 175 2HD LYS 20 HD1 LYS 20 6.369 4.989 4.989 176 1HE LYS 20 HE2 LYS 20 8.037 6.610 6.610 177 2HE LYS 20 HE1 LYS 20 7.180 6.678 6.678 178 1HZ LYS 20 HZ3 LYS 20 7.509 4.229 4.229 179 2HZ LYS 20 HZ2 LYS 20 8.529 4.331 4.331 180 3HZ LYS 20 HZ1 LYS 20 8.943 5.131 5.131 181 H GLU 21 HN GLU 21 3.172 9.424 9.424 182 HA GLU 21 HA GLU 21 5.706 10.866 10.866 183 1HB GLU 21 HB2 GLU 21 2.810 11.568 11.568 184 2HB GLU 21 HB1 GLU 21 3.922 12.754 12.754 185 1HG GLU 21 HG2 GLU 21 4.867 11.609 11.609 186 2HG GLU 21 HG1 GLU 21 3.346 12.490 12.490 187 H GLN 22 HN GLN 22 3.466 9.630 9.630 188 HA GLN 22 HA GLN 22 4.498 11.226 11.226 189 1HB GLN 22 HB2 GLN 22 2.316 9.417 9.417 190 2HB GLN 22 HB1 GLN 22 3.246 8.838 8.838 191 1HG GLN 22 HG2 GLN 22 3.105 11.059 11.059 192 2HG GLN 22 HG1 GLN 22 2.207 11.668 11.668 193 1HE2 GLN 22 HE22 GLN 22 -0.712 9.598 9.598 194 2HE2 GLN 22 HE21 GLN 22 0.233 9.970 9.970 195 H ILE 23 HN ILE 23 5.099 8.059 8.059 196 HA ILE 23 HA ILE 23 6.861 7.180 7.180 197 HB ILE 23 HB ILE 23 5.708 5.544 5.544 198 1HG1 ILE 23 HG12 ILE 23 8.236 4.740 4.740 199 2HG1 ILE 23 HG11 ILE 23 8.553 5.630 5.630 200 1HG2 ILE 23 HG23 ILE 23 7.427 6.733 6.733 201 2HG2 ILE 23 HG22 ILE 23 6.414 5.298 5.298 202 3HG2 ILE 23 HG21 ILE 23 5.672 6.871 6.871 203 1HD1 ILE 23 HD11 ILE 23 6.276 3.727 3.727 204 2HD1 ILE 23 HD13 ILE 23 7.882 3.007 3.007 205 3HD1 ILE 23 HD12 ILE 23 7.487 4.084 4.084 206 H ARG 24 HN ARG 24 7.255 8.683 8.683 207 HA ARG 24 HA ARG 24 10.163 8.673 8.673 208 1HB ARG 24 HB2 ARG 24 10.093 9.976 9.976 209 2HB ARG 24 HB1 ARG 24 8.790 8.794 8.794 210 1HG ARG 24 HG2 ARG 24 7.507 10.607 10.607 211 2HG ARG 24 HG1 ARG 24 7.506 10.848 10.848 212 1HD ARG 24 HD2 ARG 24 8.177 12.942 12.942 213 2HD ARG 24 HD1 ARG 24 9.668 12.189 12.189 214 HE ARG 24 HE ARG 24 8.887 11.887 11.887 215 1HH1 ARG 24 HH21 ARG 24 11.540 11.011 11.011 216 2HH1 ARG 24 HH22 ARG 24 12.587 12.288 12.288 217 1HH2 ARG 24 HH11 ARG 24 9.990 14.418 14.418 218 2HH2 ARG 24 HH12 ARG 24 11.709 14.218 14.218 219 H GLU 25 HN GLU 25 7.565 10.746 10.746 220 HA GLU 25 HA GLU 25 9.298 13.047 13.047 221 1HB GLU 25 HB2 GLU 25 6.416 12.366 12.366 222 2HB GLU 25 HB1 GLU 25 7.180 13.757 13.757 223 1HG GLU 25 HG2 GLU 25 7.072 13.274 13.274 224 2HG GLU 25 HG1 GLU 25 6.028 14.388 14.388 225 H LEU 26 HN LEU 26 8.169 10.195 10.195 226 HA LEU 26 HA LEU 26 8.995 11.110 11.110 227 1HB LEU 26 HB2 LEU 26 7.566 8.833 8.833 228 2HB LEU 26 HB1 LEU 26 8.782 8.316 8.316 229 HG LEU 26 HG LEU 26 6.725 8.740 8.740 230 1HD1 LEU 26 HD12 LEU 26 9.062 9.688 9.688 231 2HD1 LEU 26 HD11 LEU 26 8.287 11.249 11.249 232 3HD1 LEU 26 HD13 LEU 26 7.596 10.107 10.107 233 1HD2 LEU 26 HD23 LEU 26 5.839 10.296 10.296 234 2HD2 LEU 26 HD22 LEU 26 5.491 10.780 10.780 235 3HD2 LEU 26 HD21 LEU 26 6.788 11.572 11.572 236 H VAL 27 HN VAL 27 10.302 9.376 9.376 237 HA VAL 27 HA VAL 27 12.644 8.378 8.378 238 HB VAL 27 HB VAL 27 11.898 8.511 8.511 239 1HG1 VAL 27 HG12 VAL 27 14.458 7.664 7.664 240 2HG1 VAL 27 HG11 VAL 27 13.957 6.936 6.936 241 3HG1 VAL 27 HG13 VAL 27 14.248 8.673 8.673 242 1HG2 VAL 27 HG22 VAL 27 10.952 6.831 6.831 243 2HG2 VAL 27 HG21 VAL 27 11.352 6.268 6.268 244 3HG2 VAL 27 HG23 VAL 27 12.487 6.014 6.014 245 H GLU 28 HN GLU 28 11.756 11.132 11.132 246 HA GLU 28 HA GLU 28 14.489 12.177 12.177 247 1HB GLU 28 HB2 GLU 28 11.936 12.786 12.786 248 2HB GLU 28 HB1 GLU 28 12.625 14.249 14.249 249 1HG GLU 28 HG2 GLU 28 13.894 14.385 14.385 250 2HG GLU 28 HG1 GLU 28 14.808 13.025 13.025 251 H LYS 29 HN LYS 29 11.641 12.494 12.494 252 HA LYS 29 HA LYS 29 12.604 14.813 14.813 253 1HB LYS 29 HB2 LYS 29 10.361 12.826 12.826 254 2HB LYS 29 HB1 LYS 29 10.760 14.013 14.013 255 1HG LYS 29 HG2 LYS 29 10.197 14.756 14.756 256 2HG LYS 29 HG1 LYS 29 8.958 14.744 14.744 257 1HD LYS 29 HD2 LYS 29 11.527 16.350 16.350 258 2HD LYS 29 HD1 LYS 29 9.951 17.005 17.005 259 1HE LYS 29 HE2 LYS 29 9.362 17.208 17.208 260 2HE LYS 29 HE1 LYS 29 9.743 15.513 15.513 261 1HZ LYS 29 HZ2 LYS 29 12.185 16.608 16.608 262 2HZ LYS 29 HZ1 LYS 29 11.318 17.878 17.878 263 3HZ LYS 29 HZ3 LYS 29 11.373 16.355 16.355 264 H ASN 30 HN ASN 30 12.741 11.313 11.313 265 HA ASN 30 HA ASN 30 13.885 11.329 11.329 266 1HB ASN 30 HB2 ASN 30 12.692 9.392 9.392 267 2HB ASN 30 HB1 ASN 30 14.380 9.016 9.016 268 1HD2 ASN 30 HD22 ASN 30 15.080 7.934 7.934 269 2HD2 ASN 30 HD21 ASN 30 15.760 8.413 8.413 270 H SER 31 HN SER 31 15.104 11.245 11.245 271 HA SER 31 HA SER 31 17.865 10.822 10.822 272 1HB SER 31 HB2 SER 31 18.392 11.278 11.278 273 2HB SER 31 HB1 SER 31 16.914 10.320 10.320 274 HG SER 31 HG SER 31 17.223 13.108 13.108 275 H GLN 32 HN GLN 32 15.786 13.599 13.599 276 HA GLN 32 HA GLN 32 17.932 15.556 15.556 277 1HB GLN 32 HB2 GLN 32 14.923 15.776 15.776 278 2HB GLN 32 HB1 GLN 32 16.002 17.170 17.170 279 1HG GLN 32 HG2 GLN 32 16.757 16.791 16.791 280 2HG GLN 32 HG1 GLN 32 15.981 15.208 15.208 281 1HE2 GLN 32 HE22 GLN 32 13.242 18.245 18.245 282 2HE2 GLN 32 HE21 GLN 32 14.475 18.130 18.130 283 H LEU 33 HN LEU 33 15.680 14.121 14.121 284 HA LEU 33 HA LEU 33 16.650 15.850 15.850 285 1HB LEU 33 HB2 LEU 33 15.163 14.504 14.504 286 2HB LEU 33 HB1 LEU 33 14.309 15.127 15.127 287 HG LEU 33 HG LEU 33 14.989 12.826 12.826 288 1HD1 LEU 33 HD13 LEU 33 15.449 12.463 12.463 289 2HD1 LEU 33 HD12 LEU 33 14.813 11.114 11.114 290 3HD1 LEU 33 HD11 LEU 33 16.376 11.822 11.822 291 1HD2 LEU 33 HD22 LEU 33 12.858 13.221 13.221 292 2HD2 LEU 33 HD21 LEU 33 12.680 13.426 13.426 293 3HD2 LEU 33 HD23 LEU 33 12.910 11.815 11.815 294 H GLU 34 HN GLU 34 17.553 12.856 12.856 295 HA GLU 34 HA GLU 34 18.968 11.892 11.892 296 1HB GLU 34 HB2 GLU 34 19.556 10.004 10.004 297 2HB GLU 34 HB1 GLU 34 18.023 10.455 10.455 298 1HG GLU 34 HG2 GLU 34 19.249 10.303 10.303 299 2HG GLU 34 HG1 GLU 34 19.695 11.955 11.955 300 H ARG 35 HN ARG 35 19.531 13.791 13.791 301 HA ARG 35 HA ARG 35 22.434 13.893 13.893 302 1HB ARG 35 HB2 ARG 35 21.219 14.176 14.176 303 2HB ARG 35 HB1 ARG 35 20.692 15.755 15.755 304 1HG ARG 35 HG2 ARG 35 22.640 16.557 16.557 305 2HG ARG 35 HG1 ARG 35 23.418 15.743 15.743 306 1HD ARG 35 HD2 ARG 35 24.497 14.424 14.424 307 2HD ARG 35 HD1 ARG 35 22.939 13.746 13.746 308 HE ARG 35 HE ARG 35 23.213 16.182 16.182 309 1HH1 ARG 35 HH11 ARG 35 22.819 13.442 13.442 310 2HH1 ARG 35 HH12 ARG 35 24.255 13.292 13.292 311 1HH2 ARG 35 HH21 ARG 35 25.924 15.861 15.861 312 2HH2 ARG 35 HH22 ARG 35 26.013 14.659 14.659 313 H GLU 36 HN GLU 36 19.614 15.880 15.880 314 HA GLU 36 HA GLU 36 21.197 18.078 18.078 315 1HB GLU 36 HB2 GLU 36 18.369 17.465 17.465 316 2HB GLU 36 HB1 GLU 36 18.662 18.210 18.210 317 1HG GLU 36 HG2 GLU 36 20.260 19.609 19.609 318 2HG GLU 36 HG1 GLU 36 18.649 19.455 19.455 319 H ASN 37 HN ASN 37 19.801 15.103 15.103 320 HA ASN 37 HA ASN 37 20.222 15.741 15.741 321 1HB ASN 37 HB2 ASN 37 18.492 14.099 14.099 322 2HB ASN 37 HB1 ASN 37 19.790 13.039 13.039 323 1HD2 ASN 37 HD21 ASN 37 21.075 11.939 11.939 324 2HD2 ASN 37 HD22 ASN 37 20.636 11.923 11.923 325 H THR 38 HN THR 38 21.977 14.200 14.200 326 HA THR 38 HA THR 38 24.088 13.157 13.157 327 HB THR 38 HB THR 38 23.852 13.533 13.533 328 HG1 THR 38 HG1 THR 38 24.104 11.128 11.128 329 1HG2 THR 38 HG22 THR 38 26.180 12.750 12.750 330 2HG2 THR 38 HG21 THR 38 25.967 11.956 11.956 331 3HG2 THR 38 HG23 THR 38 26.154 13.708 13.708 332 H LEU 39 HN LEU 39 23.374 16.094 16.094 333 HA LEU 39 HA LEU 39 26.063 17.202 17.202 334 1HB LEU 39 HB2 LEU 39 23.634 17.884 17.884 335 2HB LEU 39 HB1 LEU 39 24.089 19.250 19.250 336 HG LEU 39 HG LEU 39 26.508 18.684 18.684 337 1HD1 LEU 39 HD11 LEU 39 25.122 16.830 16.830 338 2HD1 LEU 39 HD13 LEU 39 24.861 18.195 18.195 339 3HD1 LEU 39 HD12 LEU 39 26.501 17.666 17.666 340 1HD2 LEU 39 HD23 LEU 39 24.940 20.781 20.781 341 2HD2 LEU 39 HD22 LEU 39 26.227 20.589 20.589 342 3HD2 LEU 39 HD21 LEU 39 24.566 20.167 20.167 343 H LEU 40 HN LEU 40 23.047 17.305 17.305 344 HA LEU 40 HA LEU 40 24.031 19.353 19.353 345 1HB LEU 40 HB2 LEU 40 21.519 18.037 18.037 346 2HB LEU 40 HB1 LEU 40 21.885 17.922 17.922 347 HG LEU 40 HG LEU 40 20.635 20.001 20.001 348 1HD1 LEU 40 HD11 LEU 40 22.739 19.716 19.716 349 2HD1 LEU 40 HD13 LEU 40 23.333 21.030 21.030 350 3HD1 LEU 40 HD12 LEU 40 21.810 21.208 21.208 351 1HD2 LEU 40 HD22 LEU 40 22.921 20.265 20.265 352 2HD2 LEU 40 HD21 LEU 40 21.227 20.715 20.715 353 3HD2 LEU 40 HD23 LEU 40 22.301 21.741 21.741 354 H LYS 41 HN LYS 41 23.945 15.865 15.865 355 HA LYS 41 HA LYS 41 24.676 15.384 15.384 356 1HB LYS 41 HB2 LYS 41 23.608 13.737 13.737 357 2HB LYS 41 HB1 LYS 41 25.271 13.481 13.481 358 1HG LYS 41 HG2 LYS 41 25.609 13.262 13.262 359 2HG LYS 41 HG1 LYS 41 23.950 12.678 12.678 360 1HD LYS 41 HD2 LYS 41 25.436 11.516 11.516 361 2HD LYS 41 HD1 LYS 41 26.378 11.301 11.301 362 1HE LYS 41 HE2 LYS 41 23.728 10.767 10.767 363 2HE LYS 41 HE1 LYS 41 23.926 9.976 9.976 364 1HZ LYS 41 HZ3 LYS 41 26.241 9.537 9.537 365 2HZ LYS 41 HZ2 LYS 41 24.910 9.165 9.165 366 3HZ LYS 41 HZ1 LYS 41 25.095 8.398 8.398 367 H THR 42 HN THR 42 26.390 15.768 15.768 368 HA THR 42 HA THR 42 29.000 15.166 15.166 369 HB THR 42 HB THR 42 29.750 16.360 16.360 370 HG1 THR 42 HG1 THR 42 27.725 16.053 16.053 371 1HG2 THR 42 HG23 THR 42 29.198 13.791 13.791 372 2HG2 THR 42 HG22 THR 42 27.982 14.065 14.065 373 3HG2 THR 42 HG21 THR 42 29.691 14.314 14.314 374 H LEU 43 HN LEU 43 27.136 18.100 18.100 375 HA LEU 43 HA LEU 43 29.227 19.952 19.952 376 1HB LEU 43 HB2 LEU 43 26.946 20.348 20.348 377 2HB LEU 43 HB1 LEU 43 26.313 20.581 20.581 378 HG LEU 43 HG LEU 43 27.972 22.329 22.329 379 1HD1 LEU 43 HD13 LEU 43 29.209 21.138 21.138 380 2HD1 LEU 43 HD12 LEU 43 29.007 22.874 22.874 381 3HD1 LEU 43 HD11 LEU 43 29.898 22.267 22.267 382 1HD2 LEU 43 HD23 LEU 43 26.216 22.503 22.503 383 2HD2 LEU 43 HD22 LEU 43 26.056 23.323 23.323 384 3HD2 LEU 43 HD21 LEU 43 27.269 23.863 23.863 385 H ALA 44 HN ALA 44 26.742 18.249 18.249 386 HA ALA 44 HA ALA 44 27.545 19.658 19.658 387 1HB ALA 44 HB3 ALA 44 25.169 18.272 18.272 388 2HB ALA 44 HB2 ALA 44 25.707 17.621 17.621 389 3HB ALA 44 HB1 ALA 44 25.360 19.342 19.342 390 H SER 45 HN SER 45 28.948 17.371 17.371 391 HA SER 45 HA SER 45 29.226 15.213 15.213 392 1HB SER 45 HB2 SER 45 29.934 15.665 15.665 393 2HB SER 45 HB1 SER 45 31.422 15.300 15.300 394 HG SER 45 HG SER 45 29.164 13.764 13.764 395 HA PRO 46 HA PRO 46 33.435 17.312 17.312 396 1HB PRO 46 HB2 PRO 46 33.891 19.751 19.751 397 2HB PRO 46 HB1 PRO 46 34.323 18.202 18.202 398 1HG PRO 46 HG2 PRO 46 32.084 20.047 20.047 399 2HG PRO 46 HG1 PRO 46 32.911 18.863 18.863 400 1HD PRO 46 HD2 PRO 46 30.377 18.530 18.530 401 2HD PRO 46 HD1 PRO 46 31.341 17.256 17.256 402 H GLU 47 HN GLU 47 31.185 20.039 20.039 403 HA GLU 47 HA GLU 47 30.456 21.758 21.758 404 1HB GLU 47 HB2 GLU 47 30.436 19.348 19.348 405 2HB GLU 47 HB1 GLU 47 29.717 20.903 20.903 406 1HG GLU 47 HG2 GLU 47 28.752 20.312 20.312 407 2HG GLU 47 HG1 GLU 47 28.649 18.796 18.796 408 H GLN 48 HN GLN 48 30.905 22.644 22.644 409 HA GLN 48 HA GLN 48 33.853 22.458 22.458 410 1HB GLN 48 HB2 GLN 48 32.647 24.645 24.645 411 2HB GLN 48 HB1 GLN 48 32.577 25.052 25.052 412 1HG GLN 48 HG2 GLN 48 35.023 24.516 24.516 413 2HG GLN 48 HG1 GLN 48 35.049 24.323 24.323 414 1HE2 GLN 48 HE22 GLN 48 34.359 27.872 27.872 415 2HE2 GLN 48 HE21 GLN 48 33.858 26.361 26.361 416 H LEU 49 HN LEU 49 30.715 22.231 22.231 417 HA LEU 49 HA LEU 49 31.831 21.963 21.963 418 1HB LEU 49 HB2 LEU 49 29.731 23.332 23.332 419 2HB LEU 49 HB1 LEU 49 31.213 24.182 24.182 420 HG LEU 49 HG LEU 49 29.160 25.146 25.146 421 1HD1 LEU 49 HD13 LEU 49 31.616 24.876 24.876 422 2HD1 LEU 49 HD12 LEU 49 30.586 24.194 24.194 423 3HD1 LEU 49 HD11 LEU 49 30.315 25.836 25.836 424 1HD2 LEU 49 HD21 LEU 49 28.228 22.760 22.760 425 2HD2 LEU 49 HD23 LEU 49 27.840 23.993 23.993 426 3HD2 LEU 49 HD22 LEU 49 29.087 22.817 22.817 427 H GLU 50 HN GLU 50 30.723 20.415 20.415 428 HA GLU 50 HA GLU 50 29.020 18.865 18.865 429 1HB GLU 50 HB2 GLU 50 28.635 17.407 17.407 430 2HB GLU 50 HB1 GLU 50 30.256 17.469 17.469 431 1HG GLU 50 HG2 GLU 50 30.875 19.249 19.249 432 2HG GLU 50 HG1 GLU 50 29.259 19.170 19.170 433 H LYS 51 HN LYS 51 27.882 21.444 21.444 434 HA LYS 51 HA LYS 51 25.254 20.697 20.697 435 1HB LYS 51 HB2 LYS 51 26.540 20.468 20.468 436 2HB LYS 51 HB1 LYS 51 26.128 22.169 22.169 437 1HG LYS 51 HG2 LYS 51 23.739 21.549 21.549 438 2HG LYS 51 HG1 LYS 51 24.209 19.856 19.856 439 1HD LYS 51 HD2 LYS 51 23.244 20.954 20.954 440 2HD LYS 51 HD1 LYS 51 24.800 20.151 20.151 441 1HE LYS 51 HE2 LYS 51 24.911 23.005 23.005 442 2HE LYS 51 HE1 LYS 51 24.335 22.695 22.695 443 1HZ LYS 51 HZ3 LYS 51 26.405 21.064 21.064 444 2HZ LYS 51 HZ2 LYS 51 26.972 22.199 22.199 445 3HZ LYS 51 HZ1 LYS 51 26.554 22.694 22.694 446 H PHE 52 HN PHE 52 26.735 23.551 23.551 447 HA PHE 52 HA PHE 52 24.711 25.221 25.221 448 1HB PHE 52 HB2 PHE 52 25.435 26.880 26.880 449 2HB PHE 52 HB1 PHE 52 24.921 25.345 25.345 450 HD1 PHE 52 HD1 PHE 52 27.959 27.290 27.290 451 HD2 PHE 52 HD2 PHE 52 26.389 23.929 23.929 452 HE1 PHE 52 HE1 PHE 52 30.145 26.881 26.881 453 HE2 PHE 52 HE2 PHE 52 28.582 23.533 23.533 454 HZ PHE 52 HZ PHE 52 30.461 25.066 25.066 455 H GLN 53 HN GLN 53 26.403 27.634 27.634 456 HA GLN 53 HA GLN 53 27.364 28.060 28.060 457 1HB GLN 53 HB2 GLN 53 26.493 29.994 29.994 458 2HB GLN 53 HB1 GLN 53 26.902 29.609 29.609 459 1HG GLN 53 HG2 GLN 53 29.269 30.146 30.146 460 2HG GLN 53 HG1 GLN 53 28.155 31.504 31.504 461 1HE2 GLN 53 HE22 GLN 53 28.961 30.400 30.400 462 2HE2 GLN 53 HE21 GLN 53 28.033 29.444 29.444 463 H SER 54 HN SER 54 29.207 28.298 28.298 464 HA SER 54 HA SER 54 31.368 26.716 26.716 465 1HB SER 54 HB2 SER 54 32.030 27.693 27.693 466 2HB SER 54 HB1 SER 54 31.388 29.271 29.271 467 HG SER 54 HG SER 54 33.324 29.755 29.755 468 H ARG 55 HN ARG 55 29.969 28.675 28.675 469 HA ARG 55 HA ARG 55 32.203 28.565 28.565 470 1HB ARG 55 HB2 ARG 55 32.404 31.164 31.164 471 2HB ARG 55 HB1 ARG 55 33.274 30.295 30.295 472 1HG ARG 55 HG2 ARG 55 32.177 31.524 31.524 473 2HG ARG 55 HG1 ARG 55 30.681 30.747 30.747 474 1HD ARG 55 HD2 ARG 55 29.973 32.595 32.595 475 2HD ARG 55 HD1 ARG 55 31.547 32.846 32.846 476 HE ARG 55 HE ARG 55 30.635 34.042 34.042 477 1HH1 ARG 55 HH11 ARG 55 33.344 32.975 32.975 478 2HH1 ARG 55 HH12 ARG 55 34.376 34.266 34.266 479 1HH2 ARG 55 HH21 ARG 55 31.914 35.834 35.834 480 2HH2 ARG 55 HH22 ARG 55 33.566 35.883 35.883 481 H LEU 56 HN LEU 56 29.570 27.853 27.853 482 HA LEU 56 HA LEU 56 28.850 30.080 30.080 483 1HB LEU 56 HB2 LEU 56 26.487 28.879 28.879 484 2HB LEU 56 HB1 LEU 56 26.883 30.135 30.135 485 HG LEU 56 HG LEU 56 25.753 28.137 28.137 486 1HD1 LEU 56 HD11 LEU 56 27.574 29.722 29.722 487 2HD1 LEU 56 HD13 LEU 56 28.487 28.221 28.221 488 3HD1 LEU 56 HD12 LEU 56 26.923 28.340 28.340 489 1HD2 LEU 56 HD23 LEU 56 27.456 26.689 26.689 490 2HD2 LEU 56 HD22 LEU 56 26.584 26.050 26.050 491 3HD2 LEU 56 HD21 LEU 56 28.243 26.600 26.600 492 H SER 57 HN SER 57 30.048 26.994 26.994 493 HA SER 57 HA SER 57 30.164 26.618 26.618 494 1HB SER 57 HB2 SER 57 27.815 26.288 26.288 495 2HB SER 57 HB1 SER 57 27.786 25.323 25.323 496 HG SER 57 HG SER 57 27.982 24.453 24.453 497 HA PRO 58 HA PRO 58 32.903 23.685 23.685 498 1HB PRO 58 HB2 PRO 58 34.043 22.803 22.803 499 2HB PRO 58 HB1 PRO 58 34.491 24.311 24.311 500 1HG PRO 58 HG2 PRO 58 32.840 23.920 23.920 501 2HG PRO 58 HG1 PRO 58 33.841 25.305 25.305 502 1HD PRO 58 HD2 PRO 58 31.035 25.183 25.183 503 2HD PRO 58 HD1 PRO 58 32.081 26.360 26.360 504 H GLU 59 HN GLU 59 32.141 21.793 21.793 505 HA GLU 59 HA GLU 59 31.190 19.640 19.640 506 1HB GLU 59 HB2 GLU 59 31.958 19.923 19.923 507 2HB GLU 59 HB1 GLU 59 31.013 18.538 18.538 508 1HG GLU 59 HG2 GLU 59 33.006 17.595 17.595 509 2HG GLU 59 HG1 GLU 59 33.004 18.677 18.677 510 H GLU 60 HN GLU 60 29.270 18.464 18.464 511 HA GLU 60 HA GLU 60 27.323 20.141 20.141 512 1HB GLU 60 HB2 GLU 60 27.513 20.457 20.457 513 2HB GLU 60 HB1 GLU 60 25.948 19.753 19.753 514 1HG GLU 60 HG2 GLU 60 26.917 22.021 22.021 515 2HG GLU 60 HG1 GLU 60 26.348 22.398 22.398 516 HA PRO 61 HA PRO 61 26.046 15.858 15.858 517 1HB PRO 61 HB2 PRO 61 24.491 16.283 16.283 518 2HB PRO 61 HB1 PRO 61 26.251 16.083 16.083 519 1HG PRO 61 HG2 PRO 61 24.632 18.568 18.568 520 2HG PRO 61 HG1 PRO 61 26.241 18.190 18.190 521 1HD PRO 61 HD2 PRO 61 25.690 19.806 19.806 522 2HD PRO 61 HD1 PRO 61 27.278 19.156 19.156 523 H ALA 62 HN ALA 62 24.210 14.860 14.860 524 HA ALA 62 HA ALA 62 21.544 15.681 15.681 525 1HB ALA 62 HB1 ALA 62 22.985 17.479 17.479 526 2HB ALA 62 HB3 ALA 62 22.015 16.499 16.499 527 3HB ALA 62 HB2 ALA 62 21.236 17.396 17.396 528 HA PRO 63 HA PRO 63 21.992 12.684 12.684 529 1HB PRO 63 HB2 PRO 63 24.503 12.316 12.316 530 2HB PRO 63 HB1 PRO 63 23.378 13.561 13.561 531 1HG PRO 63 HG2 PRO 63 25.839 13.875 13.875 532 2HG PRO 63 HG1 PRO 63 25.017 15.060 15.060 533 1HD PRO 63 HD2 PRO 63 24.881 14.887 14.887 534 2HD PRO 63 HD1 PRO 63 23.900 15.932 15.932 535 H GLU 64 HN GLU 64 22.159 10.437 10.437 536 HA GLU 64 HA GLU 64 22.731 8.486 8.486 537 1HB GLU 64 HB2 GLU 64 24.888 8.699 8.699 538 2HB GLU 64 HB1 GLU 64 25.409 9.916 9.916 539 1HG GLU 64 HG2 GLU 64 25.725 8.364 8.364 540 2HG GLU 64 HG1 GLU 64 24.507 7.263 7.263 541 H THR 65 HN THR 65 21.399 10.403 10.403 542 HA THR 65 HA THR 65 22.615 10.092 10.092 543 HB THR 65 HB THR 65 22.279 12.338 12.338 544 HG1 THR 65 HG1 THR 65 20.354 12.982 12.982 545 1HG2 THR 65 HG22 THR 65 24.049 12.096 12.096 546 2HG2 THR 65 HG21 THR 65 22.843 12.487 12.487 547 3HG2 THR 65 HG23 THR 65 23.283 13.684 13.684 548 HA PRO 66 HA PRO 66 18.553 8.731 8.731 549 1HB PRO 66 HB2 PRO 66 18.757 8.961 8.961 550 2HB PRO 66 HB1 PRO 66 19.525 7.664 7.664 551 1HG PRO 66 HG2 PRO 66 20.774 10.055 10.055 552 2HG PRO 66 HG1 PRO 66 21.496 8.484 8.484 553 1HD PRO 66 HD2 PRO 66 21.814 10.876 10.876 554 2HD PRO 66 HD1 PRO 66 22.272 9.241 9.241 555 H GLU 67 HN GLU 67 16.583 9.787 9.787 556 HA GLU 67 HA GLU 67 16.575 12.546 12.546 557 1HB GLU 67 HB2 GLU 67 15.874 11.680 11.680 558 2HB GLU 67 HB1 GLU 67 14.363 12.086 12.086 559 1HG GLU 67 HG2 GLU 67 16.737 13.933 13.933 560 2HG GLU 67 HG1 GLU 67 15.653 13.991 13.991 561 H ALA 68 HN ALA 68 15.855 11.946 11.946 562 HA ALA 68 HA ALA 68 12.999 11.259 11.259 563 1HB ALA 68 HB2 ALA 68 14.375 9.081 9.081 564 2HB ALA 68 HB1 ALA 68 14.958 9.562 9.562 565 3HB ALA 68 HB3 ALA 68 13.238 9.282 9.282 566 HA PRO 69 HA PRO 69 14.131 14.225 14.225 567 1HB PRO 69 HB2 PRO 69 11.650 15.403 15.403 568 2HB PRO 69 HB1 PRO 69 12.905 15.831 15.831 569 1HG PRO 69 HG2 PRO 69 10.423 14.225 14.225 570 2HG PRO 69 HG1 PRO 69 11.335 15.194 15.194 571 1HD PRO 69 HD2 PRO 69 11.426 12.375 12.375 572 2HD PRO 69 HD1 PRO 69 12.562 13.378 13.378 573 H GLU 70 HN GLU 70 14.181 12.285 12.285 574 HA GLU 70 HA GLU 70 12.026 12.454 12.454 575 1HB GLU 70 HB2 GLU 70 11.168 10.255 10.255 576 2HB GLU 70 HB1 GLU 70 11.243 10.804 10.804 577 1HG GLU 70 HG2 GLU 70 13.435 9.190 9.190 578 2HG GLU 70 HG1 GLU 70 12.154 8.481 8.481 579 H ALA 71 HN ALA 71 15.059 12.632 12.632 580 HA ALA 71 HA ALA 71 15.739 10.763 10.763 581 1HB ALA 71 HB1 ALA 71 16.787 10.401 10.401 582 2HB ALA 71 HB3 ALA 71 17.822 11.750 11.750 583 3HB ALA 71 HB2 ALA 71 17.808 10.274 10.274 584 HA PRO 72 HA PRO 72 16.740 14.610 14.610 585 1HB PRO 72 HB2 PRO 72 17.596 13.482 13.482 586 2HB PRO 72 HB1 PRO 72 15.887 13.673 13.673 587 1HG PRO 72 HG2 PRO 72 17.548 11.199 11.199 588 2HG PRO 72 HG1 PRO 72 15.796 11.375 11.375 589 1HD PRO 72 HD2 PRO 72 17.149 10.557 10.557 590 2HD PRO 72 HD1 PRO 72 15.439 11.028 11.028 591 H GLY 73 HN GLY 73 18.754 15.463 15.463 592 1HA GLY 73 HA2 GLY 73 21.198 14.366 14.366 593 2HA GLY 73 HA1 GLY 73 21.010 16.042 16.042 594 H GLY 74 HN GLY 74 19.906 13.423 13.423 595 1HA GLY 74 HA2 GLY 74 21.491 12.370 12.370 596 2HA GLY 74 HA1 GLY 74 22.187 13.982 13.982 597 H SER 75 HN SER 75 18.736 13.367 13.367 598 HA SER 75 HA SER 75 16.951 13.813 13.813 599 1HB SER 75 HB2 SER 75 18.861 13.407 13.407 600 2HB SER 75 HB1 SER 75 17.145 13.021 13.021 601 HG SER 75 HG SER 75 17.844 11.109 11.109 602 H ALA 76 HN ALA 76 16.913 16.059 16.059 603 HA ALA 76 HA ALA 76 17.197 17.884 17.884 604 1HB ALA 76 HB2 ALA 76 19.615 17.606 17.606 605 2HB ALA 76 HB1 ALA 76 19.277 18.183 18.183 606 3HB ALA 76 HB3 ALA 76 19.050 19.257 19.257 607 H VAL 77 HN VAL 77 17.130 20.287 20.287 608 HA VAL 77 HA VAL 77 15.264 20.115 20.115 609 HB VAL 77 HB VAL 77 15.142 21.942 21.942 610 1HG1 VAL 77 HG13 VAL 77 13.843 22.061 22.061 611 2HG1 VAL 77 HG12 VAL 77 12.920 22.577 22.577 612 3HG1 VAL 77 HG11 VAL 77 14.440 23.377 23.377 613 1HG2 VAL 77 HG22 VAL 77 14.147 19.404 19.404 614 2HG2 VAL 77 HG21 VAL 77 13.438 20.618 20.618 615 3HG2 VAL 77 HG23 VAL 77 12.794 20.385 20.385 616 1H ACE 0 HA1 ACE 0 11.545 -18.820 -18.820 617 2H ACE 0 HA2 ACE 0 12.295 -19.674 -19.674 618 3H ACE 0 HA3 ACE 0 11.823 -17.984 -17.984 619 H MET 1 HN MET 1 9.783 -17.564 -17.564 620 HA MET 1 HA MET 1 8.174 -19.673 -19.673 621 1HB MET 1 HB2 MET 1 7.772 -16.732 -16.732 622 2HB MET 1 HB1 MET 1 6.399 -17.729 -17.729 623 1HG MET 1 HG2 MET 1 8.767 -18.335 -18.335 624 2HG MET 1 HG1 MET 1 8.329 -16.630 -16.630 625 1HE MET 1 HE2 MET 1 8.606 -17.973 -17.973 626 2HE MET 1 HE1 MET 1 7.247 -17.234 -17.234 627 3HE MET 1 HE3 MET 1 7.379 -18.996 -18.996 628 H ASP 2 HN ASP 2 6.316 -20.673 -20.673 629 HA ASP 2 HA ASP 2 5.473 -19.908 -19.908 630 1HB ASP 2 HB2 ASP 2 5.281 -22.340 -22.340 631 2HB ASP 2 HB1 ASP 2 6.945 -21.839 -21.839 632 H LEU 3 HN LEU 3 4.191 -19.235 -19.235 633 HA LEU 3 HA LEU 3 1.620 -20.666 -20.666 634 1HB LEU 3 HB2 LEU 3 1.325 -20.615 -20.615 635 2HB LEU 3 HB1 LEU 3 2.451 -21.816 -21.816 636 HG LEU 3 HG LEU 3 4.063 -19.593 -19.593 637 1HD1 LEU 3 HD12 LEU 3 1.953 -18.693 -18.693 638 2HD1 LEU 3 HD11 LEU 3 2.469 -19.797 -19.797 639 3HD1 LEU 3 HD13 LEU 3 3.543 -18.505 -18.505 640 1HD2 LEU 3 HD22 LEU 3 3.472 -21.986 -21.986 641 2HD2 LEU 3 HD21 LEU 3 4.807 -21.770 -21.770 642 3HD2 LEU 3 HD23 LEU 3 4.772 -20.856 -20.856 643 H VAL 4 HN VAL 4 3.222 -17.992 -17.992 644 HA VAL 4 HA VAL 4 0.892 -16.417 -16.417 645 HB VAL 4 HB VAL 4 2.397 -14.549 -14.549 646 1HG1 VAL 4 HG11 VAL 4 2.491 -16.674 -16.674 647 2HG1 VAL 4 HG13 VAL 4 4.079 -16.914 -16.914 648 3HG1 VAL 4 HG12 VAL 4 3.739 -15.441 -15.441 649 1HG2 VAL 4 HG21 VAL 4 3.680 -15.137 -15.137 650 2HG2 VAL 4 HG23 VAL 4 4.597 -14.433 -14.433 651 3HG2 VAL 4 HG22 VAL 4 4.667 -16.170 -16.170 652 H LYS 5 HN LYS 5 2.878 -16.972 -16.972 653 HA LYS 5 HA LYS 5 1.401 -14.885 -14.885 654 1HB LYS 5 HB2 LYS 5 4.075 -15.904 -15.904 655 2HB LYS 5 HB1 LYS 5 3.294 -16.278 -16.278 656 1HG LYS 5 HG2 LYS 5 2.541 -13.623 -13.623 657 2HG LYS 5 HG1 LYS 5 4.293 -13.755 -13.755 658 1HD LYS 5 HD2 LYS 5 2.612 -14.342 -14.342 659 2HD LYS 5 HD1 LYS 5 3.870 -13.117 -13.117 660 1HE LYS 5 HE2 LYS 5 5.054 -15.600 -15.600 661 2HE LYS 5 HE1 LYS 5 4.144 -15.867 -15.867 662 1HZ LYS 5 HZ1 LYS 5 5.525 -13.390 -13.390 663 2HZ LYS 5 HZ3 LYS 5 6.605 -14.657 -14.657 664 3HZ LYS 5 HZ2 LYS 5 5.628 -14.715 -14.715 665 H ASN 6 HN ASN 6 -0.012 -17.225 -17.225 666 HA ASN 6 HA ASN 6 -0.576 -18.476 -18.476 667 1HB ASN 6 HB2 ASN 6 0.163 -19.732 -19.732 668 2HB ASN 6 HB1 ASN 6 -1.166 -20.488 -20.488 669 1HD2 ASN 6 HD22 ASN 6 1.218 -22.227 -22.227 670 2HD2 ASN 6 HD21 ASN 6 -0.150 -22.312 -22.312 671 H HIS 7 HN HIS 7 -1.775 -18.264 -18.264 672 HA HIS 7 HA HIS 7 -4.536 -18.561 -18.561 673 1HB HIS 7 HB2 HIS 7 -5.112 -18.386 -18.386 674 2HB HIS 7 HB1 HIS 7 -3.732 -19.471 -19.471 675 HD1 HIS 7 HD1 HIS 7 -3.791 -18.363 -18.363 676 HD2 HIS 7 HD2 HIS 7 -2.169 -16.162 -16.162 677 HE1 HIS 7 HE1 HIS 7 -2.257 -16.642 -16.642 678 H LEU 8 HN LEU 8 -3.264 -16.287 -16.287 679 HA LEU 8 HA LEU 8 -3.979 -13.890 -13.890 680 1HB LEU 8 HB2 LEU 8 -3.239 -14.459 -14.459 681 2HB LEU 8 HB1 LEU 8 -3.700 -12.844 -12.844 682 HG LEU 8 HG LEU 8 -1.878 -12.741 -12.741 683 1HD1 LEU 8 HD12 LEU 8 -1.536 -15.681 -15.681 684 2HD1 LEU 8 HD11 LEU 8 -0.376 -14.729 -14.729 685 3HD1 LEU 8 HD13 LEU 8 -2.005 -14.961 -14.961 686 1HD2 LEU 8 HD23 LEU 8 -1.266 -12.389 -12.389 687 2HD2 LEU 8 HD22 LEU 8 0.073 -13.066 -13.066 688 3HD2 LEU 8 HD21 LEU 8 -0.879 -14.104 -14.104 689 H MET 9 HN MET 9 -5.715 -16.268 -16.268 690 HA MET 9 HA MET 9 -7.881 -14.468 -14.468 691 1HB MET 9 HB2 MET 9 -9.160 -16.685 -16.685 692 2HB MET 9 HB1 MET 9 -7.728 -16.515 -16.515 693 1HG MET 9 HG2 MET 9 -6.566 -18.120 -18.120 694 2HG MET 9 HG1 MET 9 -7.260 -17.664 -17.664 695 1HE MET 9 HE1 MET 9 -6.912 -19.937 -19.937 696 2HE MET 9 HE3 MET 9 -8.339 -20.975 -20.975 697 3HE MET 9 HE2 MET 9 -7.239 -21.146 -21.146 698 H TYR 10 HN TYR 10 -6.800 -16.036 -16.036 699 HA TYR 10 HA TYR 10 -9.325 -16.054 -16.054 700 1HB TYR 10 HB2 TYR 10 -8.136 -17.232 -17.232 701 2HB TYR 10 HB1 TYR 10 -6.981 -17.414 -17.414 702 HD1 TYR 10 HD1 TYR 10 -5.797 -14.520 -14.520 703 HD2 TYR 10 HD2 TYR 10 -6.730 -17.279 -17.279 704 HE1 TYR 10 HE1 TYR 10 -4.091 -13.467 -13.467 705 HE2 TYR 10 HE2 TYR 10 -5.022 -16.216 -16.216 706 HH TYR 10 HH TYR 10 -3.185 -14.830 -14.830 707 H ALA 11 HN ALA 11 -7.130 -13.708 -13.708 708 HA ALA 11 HA ALA 11 -8.292 -11.606 -11.606 709 1HB ALA 11 HB3 ALA 11 -6.781 -13.145 -13.145 710 2HB ALA 11 HB2 ALA 11 -5.479 -12.221 -12.221 711 3HB ALA 11 HB1 ALA 11 -6.737 -11.389 -11.389 712 H VAL 12 HN VAL 12 -5.589 -12.875 -12.875 713 HA VAL 12 HA VAL 12 -4.135 -11.943 -11.943 714 HB VAL 12 HB VAL 12 -6.458 -11.002 -11.002 715 1HG1 VAL 12 HG12 VAL 12 -5.530 -8.824 -8.824 716 2HG1 VAL 12 HG11 VAL 12 -5.600 -8.305 -8.305 717 3HG1 VAL 12 HG13 VAL 12 -7.033 -8.966 -8.966 718 1HG2 VAL 12 HG23 VAL 12 -3.912 -11.041 -11.041 719 2HG2 VAL 12 HG22 VAL 12 -5.332 -10.505 -10.505 720 3HG2 VAL 12 HG21 VAL 12 -4.300 -9.325 -9.325 721 H ARG 13 HN ARG 13 -4.225 -11.281 -11.281 722 HA ARG 13 HA ARG 13 -3.492 -8.783 -8.783 723 1HB ARG 13 HB2 ARG 13 -2.149 -9.802 -9.802 724 2HB ARG 13 HB1 ARG 13 -3.424 -10.962 -10.962 725 1HG ARG 13 HG2 ARG 13 -1.777 -11.987 -11.987 726 2HG ARG 13 HG1 ARG 13 -0.536 -11.024 -11.024 727 1HD ARG 13 HD2 ARG 13 -2.315 -12.584 -12.584 728 2HD ARG 13 HD1 ARG 13 -1.206 -13.525 -13.525 729 HE ARG 13 HE ARG 13 0.656 -12.397 -12.397 730 1HH1 ARG 13 HH11 ARG 13 -2.089 -12.803 -12.803 731 2HH1 ARG 13 HH12 ARG 13 -1.705 -11.615 -11.615 732 1HH2 ARG 13 HH21 ARG 13 0.997 -10.333 -10.333 733 2HH2 ARG 13 HH22 ARG 13 0.044 -10.216 -10.216 734 H GLU 14 HN GLU 14 -2.216 -7.303 -7.303 735 HA GLU 14 HA GLU 14 0.510 -7.338 -7.338 736 1HB GLU 14 HB2 GLU 14 -0.756 -9.047 -9.047 737 2HB GLU 14 HB1 GLU 14 0.292 -7.811 -7.811 738 1HG GLU 14 HG2 GLU 14 1.328 -9.284 -9.284 739 2HG GLU 14 HG1 GLU 14 1.252 -10.168 -10.168 740 H GLU 15 HN GLU 15 -2.568 -6.390 -6.390 741 HA GLU 15 HA GLU 15 -1.403 -4.050 -4.050 742 1HB GLU 15 HB2 GLU 15 -3.781 -3.621 -3.621 743 2HB GLU 15 HB1 GLU 15 -3.203 -5.212 -5.212 744 1HG GLU 15 HG2 GLU 15 -4.427 -6.318 -6.318 745 2HG GLU 15 HG1 GLU 15 -4.591 -4.860 -4.860 746 H VAL 16 HN VAL 16 -0.928 -3.928 -3.928 747 HA VAL 16 HA VAL 16 -1.898 -1.388 -1.388 748 HB VAL 16 HB VAL 16 -4.123 -2.248 -2.248 749 1HG1 VAL 16 HG11 VAL 16 -2.922 -4.484 -4.484 750 2HG1 VAL 16 HG13 VAL 16 -4.645 -4.251 -4.251 751 3HG1 VAL 16 HG12 VAL 16 -3.566 -4.637 -4.637 752 1HG2 VAL 16 HG22 VAL 16 -2.918 -1.016 -1.016 753 2HG2 VAL 16 HG21 VAL 16 -4.611 -1.504 -1.504 754 3HG2 VAL 16 HG23 VAL 16 -3.378 -2.517 -2.517 755 H GLU 17 HN GLU 17 -0.961 -4.585 -4.585 756 HA GLU 17 HA GLU 17 0.042 -3.654 -3.654 757 1HB GLU 17 HB2 GLU 17 -0.434 -6.112 -6.112 758 2HB GLU 17 HB1 GLU 17 1.318 -6.027 -6.027 759 1HG GLU 17 HG2 GLU 17 1.475 -5.386 -5.386 760 2HG GLU 17 HG1 GLU 17 -0.264 -5.646 -5.646 761 H ILE 18 HN ILE 18 1.544 -4.212 -4.212 762 HA ILE 18 HA ILE 18 4.229 -3.643 -3.643 763 HB ILE 18 HB ILE 18 4.707 -3.372 -3.372 764 1HG1 ILE 18 HG12 ILE 18 1.688 -3.556 -3.556 765 2HG1 ILE 18 HG11 ILE 18 2.665 -2.121 -2.121 766 1HG2 ILE 18 HG23 ILE 18 4.481 -5.643 -5.643 767 2HG2 ILE 18 HG22 ILE 18 2.763 -5.629 -5.629 768 3HG2 ILE 18 HG21 ILE 18 3.962 -5.603 -5.603 769 1HD1 ILE 18 HD12 ILE 18 3.240 -4.721 -4.721 770 2HD1 ILE 18 HD11 ILE 18 2.017 -3.609 -3.609 771 3HD1 ILE 18 HD13 ILE 18 3.695 -3.085 -3.085 772 H LEU 19 HN LEU 19 1.539 -1.605 -1.605 773 HA LEU 19 HA LEU 19 3.201 0.775 0.775 774 1HB LEU 19 HB2 LEU 19 0.204 0.388 0.388 775 2HB LEU 19 HB1 LEU 19 0.969 1.953 1.953 776 HG LEU 19 HG LEU 19 1.803 -0.277 -0.277 777 1HD1 LEU 19 HD12 LEU 19 -0.975 0.622 0.622 778 2HD1 LEU 19 HD11 LEU 19 -0.366 0.798 0.798 779 3HD1 LEU 19 HD13 LEU 19 -0.339 -0.781 -0.781 780 1HD2 LEU 19 HD23 LEU 19 2.640 2.126 2.126 781 2HD2 LEU 19 HD22 LEU 19 1.998 1.516 1.516 782 3HD2 LEU 19 HD21 LEU 19 1.021 2.591 2.591 783 H LYS 20 HN LYS 20 0.828 -0.294 -0.294 784 HA LYS 20 HA LYS 20 1.341 1.915 1.915 785 1HB LYS 20 HB2 LYS 20 -0.058 0.792 0.792 786 2HB LYS 20 HB1 LYS 20 -0.700 0.344 0.344 787 1HG LYS 20 HG2 LYS 20 -0.506 -1.795 -1.795 788 2HG LYS 20 HG1 LYS 20 1.218 -1.591 -1.591 789 1HD LYS 20 HD2 LYS 20 1.458 -0.702 -0.702 790 2HD LYS 20 HD1 LYS 20 -0.222 -1.156 -1.156 791 1HE LYS 20 HE2 LYS 20 1.204 -3.359 -3.359 792 2HE LYS 20 HE1 LYS 20 2.052 -2.810 -2.810 793 1HZ LYS 20 HZ2 LYS 20 -0.050 -2.933 -2.933 794 2HZ LYS 20 HZ1 LYS 20 -0.822 -3.534 -3.534 795 3HZ LYS 20 HZ3 LYS 20 0.396 -4.443 -4.443 796 H GLU 21 HN GLU 21 2.975 -1.062 -1.062 797 HA GLU 21 HA GLU 21 4.380 -1.193 -1.193 798 1HB GLU 21 HB2 GLU 21 3.983 -3.174 -3.174 799 2HB GLU 21 HB1 GLU 21 5.153 -2.475 -2.475 800 1HG GLU 21 HG2 GLU 21 6.547 -3.853 -3.853 801 2HG GLU 21 HG1 GLU 21 6.668 -2.360 -2.360 802 H GLN 22 HN GLN 22 5.118 -0.025 -0.025 803 HA GLN 22 HA GLN 22 7.810 0.814 0.814 804 1HB GLN 22 HB2 GLN 22 6.035 1.557 1.557 805 2HB GLN 22 HB1 GLN 22 7.742 1.979 1.979 806 1HG GLN 22 HG2 GLN 22 7.707 -0.752 -0.752 807 2HG GLN 22 HG1 GLN 22 6.523 -0.563 -0.563 808 1HE2 GLN 22 HE22 GLN 22 10.211 -0.725 -0.725 809 2HE2 GLN 22 HE21 GLN 22 9.485 -1.569 -1.569 810 H ILE 23 HN ILE 23 4.622 2.271 2.271 811 HA ILE 23 HA ILE 23 5.637 4.980 4.980 812 HB ILE 23 HB ILE 23 2.873 3.761 3.761 813 1HG1 ILE 23 HG12 ILE 23 3.801 3.948 3.948 814 2HG1 ILE 23 HG11 ILE 23 2.441 5.046 5.046 815 1HG2 ILE 23 HG22 ILE 23 3.763 6.651 6.651 816 2HG2 ILE 23 HG21 ILE 23 2.087 6.110 6.110 817 3HG2 ILE 23 HG23 ILE 23 3.096 5.656 5.656 818 1HD1 ILE 23 HD12 ILE 23 4.802 6.413 6.413 819 2HD1 ILE 23 HD11 ILE 23 5.127 5.692 5.692 820 3HD1 ILE 23 HD13 ILE 23 3.756 6.783 6.783 821 H ARG 24 HN ARG 24 4.594 2.260 2.260 822 HA ARG 24 HA ARG 24 4.549 3.802 3.802 823 1HB ARG 24 HB2 ARG 24 3.289 1.572 1.572 824 2HB ARG 24 HB1 ARG 24 4.808 0.808 0.808 825 1HG ARG 24 HG2 ARG 24 3.842 2.915 2.915 826 2HG ARG 24 HG1 ARG 24 2.838 1.466 1.466 827 1HD ARG 24 HD2 ARG 24 5.250 0.290 0.290 828 2HD ARG 24 HD1 ARG 24 5.630 1.791 1.791 829 HE ARG 24 HE ARG 24 3.242 0.893 0.893 830 1HH1 ARG 24 HH11 ARG 24 6.375 0.947 0.947 831 2HH1 ARG 24 HH12 ARG 24 6.421 -0.562 -0.562 832 1HH2 ARG 24 HH21 ARG 24 3.314 -1.599 -1.599 833 2HH2 ARG 24 HH22 ARG 24 4.689 -2.006 -2.006 834 H GLU 25 HN GLU 25 6.824 1.851 1.851 835 HA GLU 25 HA GLU 25 8.809 1.761 1.761 836 1HB GLU 25 HB2 GLU 25 8.461 0.563 0.563 837 2HB GLU 25 HB1 GLU 25 10.036 1.356 1.356 838 1HG GLU 25 HG2 GLU 25 10.374 0.203 0.203 839 2HG GLU 25 HG1 GLU 25 8.965 -0.778 -0.778 840 H LEU 26 HN LEU 26 8.049 3.770 3.770 841 HA LEU 26 HA LEU 26 10.511 5.337 5.337 842 1HB LEU 26 HB2 LEU 26 8.077 5.356 5.356 843 2HB LEU 26 HB1 LEU 26 8.907 6.898 6.898 844 HG LEU 26 HG LEU 26 9.757 5.604 5.604 845 1HD1 LEU 26 HD11 LEU 26 11.157 7.179 7.179 846 2HD1 LEU 26 HD13 LEU 26 11.910 5.694 5.694 847 3HD1 LEU 26 HD12 LEU 26 12.016 6.131 6.131 848 1HD2 LEU 26 HD22 LEU 26 10.367 3.629 3.629 849 2HD2 LEU 26 HD21 LEU 26 9.555 3.340 3.340 850 3HD2 LEU 26 HD23 LEU 26 11.293 3.636 3.636 851 H VAL 27 HN VAL 27 7.245 5.440 5.440 852 HA VAL 27 HA VAL 27 7.531 8.188 8.188 853 HB VAL 27 HB VAL 27 5.309 7.063 7.063 854 1HG1 VAL 27 HG13 VAL 27 5.802 4.973 4.973 855 2HG1 VAL 27 HG12 VAL 27 5.574 5.906 5.906 856 3HG1 VAL 27 HG11 VAL 27 4.230 5.684 5.684 857 1HG2 VAL 27 HG23 VAL 27 5.601 8.369 8.369 858 2HG2 VAL 27 HG22 VAL 27 5.400 9.206 9.206 859 3HG2 VAL 27 HG21 VAL 27 4.086 8.225 8.225 860 H GLU 28 HN GLU 28 8.084 4.924 4.924 861 HA GLU 28 HA GLU 28 8.334 5.627 5.627 862 1HB GLU 28 HB2 GLU 28 7.697 3.325 3.325 863 2HB GLU 28 HB1 GLU 28 9.304 3.150 3.150 864 1HG GLU 28 HG2 GLU 28 9.114 3.988 3.988 865 2HG GLU 28 HG1 GLU 28 8.785 2.299 2.299 866 H LYS 29 HN LYS 29 10.412 5.208 5.208 867 HA LYS 29 HA LYS 29 12.900 5.505 5.505 868 1HB LYS 29 HB2 LYS 29 12.441 4.490 4.490 869 2HB LYS 29 HB1 LYS 29 12.661 6.163 6.163 870 1HG LYS 29 HG2 LYS 29 14.880 5.743 5.743 871 2HG LYS 29 HG1 LYS 29 14.746 5.754 5.754 872 1HD LYS 29 HD2 LYS 29 15.420 3.601 3.601 873 2HD LYS 29 HD1 LYS 29 13.853 3.213 3.213 874 1HE LYS 29 HE2 LYS 29 15.657 4.290 4.290 875 2HE LYS 29 HE1 LYS 29 16.368 2.885 2.885 876 1HZ LYS 29 HZ1 LYS 29 13.624 2.439 2.439 877 2HZ LYS 29 HZ3 LYS 29 14.421 2.894 2.894 878 3HZ LYS 29 HZ2 LYS 29 14.975 1.559 1.559 879 H ASN 30 HN ASN 30 10.718 7.608 7.608 880 HA ASN 30 HA ASN 30 12.343 9.979 9.979 881 1HB ASN 30 HB2 ASN 30 10.573 10.017 10.017 882 2HB ASN 30 HB1 ASN 30 9.385 9.485 9.485 883 1HD2 ASN 30 HD22 ASN 30 10.669 13.238 13.238 884 2HD2 ASN 30 HD21 ASN 30 11.754 11.935 11.935 885 H SER 31 HN SER 31 9.749 8.634 8.634 886 HA SER 31 HA SER 31 9.716 10.776 10.776 887 1HB SER 31 HB2 SER 31 7.842 9.299 9.299 888 2HB SER 31 HB1 SER 31 8.872 7.874 7.874 889 HG SER 31 HG SER 31 8.982 9.869 9.869 890 H GLN 32 HN GLN 32 11.645 7.842 7.842 891 HA GLN 32 HA GLN 32 12.862 7.919 7.919 892 1HB GLN 32 HB2 GLN 32 13.030 5.911 5.911 893 2HB GLN 32 HB1 GLN 32 13.874 6.805 6.805 894 1HG GLN 32 HG2 GLN 32 15.530 5.603 5.603 895 2HG GLN 32 HG1 GLN 32 15.686 7.320 7.320 896 1HE2 GLN 32 HE22 GLN 32 14.833 6.923 6.923 897 2HE2 GLN 32 HE21 GLN 32 15.274 7.995 7.995 898 H LEU 33 HN LEU 33 13.758 9.337 9.337 899 HA LEU 33 HA LEU 33 16.099 10.637 10.637 900 1HB LEU 33 HB2 LEU 33 14.908 10.738 10.738 901 2HB LEU 33 HB1 LEU 33 16.323 11.673 11.673 902 HG LEU 33 HG LEU 33 16.606 8.911 8.911 903 1HD1 LEU 33 HD11 LEU 33 15.481 9.409 9.409 904 2HD1 LEU 33 HD13 LEU 33 17.008 8.528 8.528 905 3HD1 LEU 33 HD12 LEU 33 15.655 7.889 7.889 906 1HD2 LEU 33 HD21 LEU 33 18.184 11.052 11.052 907 2HD2 LEU 33 HD23 LEU 33 18.759 9.408 9.408 908 3HD2 LEU 33 HD22 LEU 33 18.335 9.932 9.932 909 H GLU 34 HN GLU 34 12.797 11.239 11.239 910 HA GLU 34 HA GLU 34 12.976 14.162 14.162 911 1HB GLU 34 HB2 GLU 34 10.912 12.285 12.285 912 2HB GLU 34 HB1 GLU 34 10.539 13.132 13.132 913 1HG GLU 34 HG2 GLU 34 10.459 15.240 15.240 914 2HG GLU 34 HG1 GLU 34 11.307 14.642 14.642 915 H ARG 35 HN ARG 35 12.537 11.695 11.695 916 HA ARG 35 HA ARG 35 12.477 13.684 13.684 917 1HB ARG 35 HB2 ARG 35 11.269 11.607 11.607 918 2HB ARG 35 HB1 ARG 35 12.721 10.660 10.660 919 1HG ARG 35 HG2 ARG 35 13.821 11.658 11.658 920 2HG ARG 35 HG1 ARG 35 12.365 12.595 12.595 921 1HD ARG 35 HD2 ARG 35 11.692 9.806 9.806 922 2HD ARG 35 HD1 ARG 35 12.941 9.979 9.979 923 HE ARG 35 HE ARG 35 11.266 11.838 11.838 924 1HH1 ARG 35 HH11 ARG 35 11.016 8.516 8.516 925 2HH1 ARG 35 HH12 ARG 35 9.321 8.426 8.426 926 1HH2 ARG 35 HH21 ARG 35 8.865 11.864 11.864 927 2HH2 ARG 35 HH22 ARG 35 8.103 10.321 10.321 928 H GLU 36 HN GLU 36 14.840 11.788 11.788 929 HA GLU 36 HA GLU 36 16.947 12.244 12.244 930 1HB GLU 36 HB2 GLU 36 17.075 11.154 11.154 931 2HB GLU 36 HB1 GLU 36 18.419 11.170 11.170 932 1HG GLU 36 HG2 GLU 36 15.800 9.899 9.899 933 2HG GLU 36 HG1 GLU 36 16.974 9.004 9.004 934 H ASN 37 HN ASN 37 15.781 13.639 13.639 935 HA ASN 37 HA ASN 37 18.075 15.408 15.408 936 1HB ASN 37 HB2 ASN 37 16.853 14.850 14.850 937 2HB ASN 37 HB1 ASN 37 15.317 15.301 15.301 938 1HD2 ASN 37 HD22 ASN 37 15.645 18.504 18.504 939 2HD2 ASN 37 HD21 ASN 37 14.679 17.128 17.128 940 H THR 38 HN THR 38 14.856 15.585 15.585 941 HA THR 38 HA THR 38 15.011 18.433 18.433 942 HB THR 38 HB THR 38 13.250 16.234 16.234 943 HG1 THR 38 HG1 THR 38 11.797 17.811 17.811 944 1HG2 THR 38 HG23 THR 38 13.614 18.233 18.233 945 2HG2 THR 38 HG22 THR 38 12.871 19.222 19.222 946 3HG2 THR 38 HG21 THR 38 11.940 17.944 17.944 947 H LEU 39 HN LEU 39 15.929 15.456 15.456 948 HA LEU 39 HA LEU 39 16.423 16.665 16.665 949 1HB LEU 39 HB2 LEU 39 16.715 14.034 14.034 950 2HB LEU 39 HB1 LEU 39 18.067 14.424 14.424 951 HG LEU 39 HG LEU 39 16.625 14.773 14.773 952 1HD1 LEU 39 HD12 LEU 39 14.626 15.198 15.198 953 2HD1 LEU 39 HD11 LEU 39 14.022 14.279 14.279 954 3HD1 LEU 39 HD13 LEU 39 14.708 15.885 15.885 955 1HD2 LEU 39 HD21 LEU 39 15.675 12.405 12.405 956 2HD2 LEU 39 HD23 LEU 39 16.979 12.414 12.414 957 3HD2 LEU 39 HD22 LEU 39 15.307 12.629 12.629 958 H LEU 40 HN LEU 40 18.444 15.856 15.856 959 HA LEU 40 HA LEU 40 20.856 16.928 16.928 960 1HB LEU 40 HB2 LEU 40 20.140 15.703 15.703 961 2HB LEU 40 HB1 LEU 40 21.514 16.809 16.809 962 HG LEU 40 HG LEU 40 21.498 14.907 14.907 963 1HD1 LEU 40 HD11 LEU 40 21.510 13.996 13.996 964 2HD1 LEU 40 HD13 LEU 40 22.475 13.136 13.136 965 3HD1 LEU 40 HD12 LEU 40 20.726 13.255 13.255 966 1HD2 LEU 40 HD23 LEU 40 23.348 16.358 16.358 967 2HD2 LEU 40 HD22 LEU 40 23.589 15.776 15.776 968 3HD2 LEU 40 HD21 LEU 40 23.857 14.693 14.693 969 H LYS 41 HN LYS 41 18.204 18.166 18.166 970 HA LYS 41 HA LYS 41 19.588 20.550 20.550 971 1HB LYS 41 HB2 LYS 41 16.753 19.565 19.565 972 2HB LYS 41 HB1 LYS 41 17.052 21.281 21.281 973 1HG LYS 41 HG2 LYS 41 18.893 19.733 19.733 974 2HG LYS 41 HG1 LYS 41 17.248 19.175 19.175 975 1HD LYS 41 HD2 LYS 41 16.533 21.274 21.274 976 2HD LYS 41 HD1 LYS 41 17.841 22.121 22.121 977 1HE LYS 41 HE2 LYS 41 19.032 20.280 20.280 978 2HE LYS 41 HE1 LYS 41 17.778 21.157 21.157 979 1HZ LYS 41 HZ2 LYS 41 19.857 22.447 22.447 980 2HZ LYS 41 HZ1 LYS 41 19.960 22.281 22.281 981 3HZ LYS 41 HZ3 LYS 41 18.730 23.225 23.225 982 H THR 42 HN THR 42 17.570 19.656 19.656 983 HA THR 42 HA THR 42 17.494 22.398 22.398 984 HB THR 42 HB THR 42 16.801 19.879 19.879 985 HG1 THR 42 HG1 THR 42 15.514 21.135 21.135 986 1HG2 THR 42 HG22 THR 42 16.884 22.064 22.064 987 2HG2 THR 42 HG21 THR 42 15.675 22.690 22.690 988 3HG2 THR 42 HG23 THR 42 15.266 21.364 21.364 989 H LEU 43 HN LEU 43 19.316 19.427 19.427 990 HA LEU 43 HA LEU 43 20.670 20.367 20.367 991 1HB LEU 43 HB2 LEU 43 20.423 17.932 17.932 992 2HB LEU 43 HB1 LEU 43 21.810 18.325 18.325 993 HG LEU 43 HG LEU 43 23.070 19.009 19.009 994 1HD1 LEU 43 HD12 LEU 43 20.422 18.432 18.432 995 2HD1 LEU 43 HD11 LEU 43 21.820 17.857 17.857 996 3HD1 LEU 43 HD13 LEU 43 21.670 19.568 19.568 997 1HD2 LEU 43 HD21 LEU 43 23.132 16.666 16.666 998 2HD2 LEU 43 HD23 LEU 43 23.535 16.763 16.763 999 3HD2 LEU 43 HD22 LEU 43 21.937 16.208 16.208 1000 H ALA 44 HN ALA 44 21.580 20.198 20.198 1001 HA ALA 44 HA ALA 44 24.111 21.565 21.565 1002 1HB ALA 44 HB2 ALA 44 23.388 19.964 19.964 1003 2HB ALA 44 HB1 ALA 44 22.763 21.449 21.449 1004 3HB ALA 44 HB3 ALA 44 24.477 21.311 21.311 1005 H SER 45 HN SER 45 20.860 22.468 22.468 1006 HA SER 45 HA SER 45 21.653 25.334 25.334 1007 1HB SER 45 HB2 SER 45 19.739 24.216 24.216 1008 2HB SER 45 HB1 SER 45 20.163 25.913 25.913 1009 HG SER 45 HG SER 45 21.595 25.324 25.324 1010 HA PRO 46 HA PRO 46 18.100 24.318 24.318 1011 1HB PRO 46 HB2 PRO 46 19.133 25.624 25.624 1012 2HB PRO 46 HB1 PRO 46 19.482 23.931 23.931 1013 1HG PRO 46 HG2 PRO 46 21.230 26.327 26.327 1014 2HG PRO 46 HG1 PRO 46 21.683 24.633 24.633 1015 1HD PRO 46 HD2 PRO 46 21.741 26.015 26.015 1016 2HD PRO 46 HD1 PRO 46 21.854 24.254 24.254 1017 H GLU 47 HN GLU 47 19.881 27.379 27.379 1018 HA GLU 47 HA GLU 47 17.506 28.960 28.960 1019 1HB GLU 47 HB2 GLU 47 20.259 29.737 29.737 1020 2HB GLU 47 HB1 GLU 47 18.995 30.902 30.902 1021 1HG GLU 47 HG2 GLU 47 20.218 30.779 30.779 1022 2HG GLU 47 HG1 GLU 47 18.894 29.650 29.650 1023 H GLN 48 HN GLN 48 16.729 27.396 27.396 1024 HA GLN 48 HA GLN 48 16.483 29.351 29.351 1025 1HB GLN 48 HB2 GLN 48 17.534 26.534 26.534 1026 2HB GLN 48 HB1 GLN 48 16.690 27.263 27.263 1027 1HG GLN 48 HG2 GLN 48 18.942 28.718 28.718 1028 2HG GLN 48 HG1 GLN 48 19.269 27.527 27.527 1029 1HE2 GLN 48 HE22 GLN 48 18.968 30.647 30.647 1030 2HE2 GLN 48 HE21 GLN 48 20.092 29.856 29.856 1031 H LEU 49 HN LEU 49 14.505 28.975 28.975 1032 HA LEU 49 HA LEU 49 12.199 28.581 28.581 1033 1HB LEU 49 HB2 LEU 49 11.418 26.406 26.406 1034 2HB LEU 49 HB1 LEU 49 13.067 26.182 26.182 1035 HG LEU 49 HG LEU 49 13.674 25.356 25.356 1036 1HD1 LEU 49 HD13 LEU 49 10.976 26.347 26.347 1037 2HD1 LEU 49 HD12 LEU 49 11.545 24.859 24.859 1038 3HD1 LEU 49 HD11 LEU 49 12.471 26.345 26.345 1039 1HD2 LEU 49 HD21 LEU 49 12.257 24.027 24.027 1040 2HD2 LEU 49 HD23 LEU 49 12.642 23.308 23.308 1041 3HD2 LEU 49 HD22 LEU 49 11.064 24.032 24.032 1042 H GLU 50 HN GLU 50 14.052 28.331 28.331 1043 HA GLU 50 HA GLU 50 12.523 27.800 27.800 1044 1HB GLU 50 HB2 GLU 50 13.248 30.086 30.086 1045 2HB GLU 50 HB1 GLU 50 14.528 28.994 28.994 1046 1HG GLU 50 HG2 GLU 50 14.309 30.220 30.220 1047 2HG GLU 50 HG1 GLU 50 13.480 31.470 31.470 1048 H LYS 51 HN LYS 51 12.014 30.388 30.388 1049 HA LYS 51 HA LYS 51 10.182 32.096 32.096 1050 1HB LYS 51 HB2 LYS 51 9.238 29.961 29.961 1051 2HB LYS 51 HB1 LYS 51 8.992 31.699 31.699 1052 1HG LYS 51 HG2 LYS 51 11.282 32.072 32.072 1053 2HG LYS 51 HG1 LYS 51 11.729 30.421 30.421 1054 1HD LYS 51 HD2 LYS 51 9.896 31.248 31.248 1055 2HD LYS 51 HD1 LYS 51 11.515 30.566 30.566 1056 1HE LYS 51 HE2 LYS 51 10.363 28.663 28.663 1057 2HE LYS 51 HE1 LYS 51 8.949 29.215 29.215 1058 1HZ LYS 51 HZ3 LYS 51 11.347 28.825 28.825 1059 2HZ LYS 51 HZ2 LYS 51 10.687 27.407 27.407 1060 3HZ LYS 51 HZ1 LYS 51 9.741 28.399 28.399 1061 H PHE 52 HN PHE 52 9.140 28.718 28.718 1062 HA PHE 52 HA PHE 52 6.751 29.308 29.308 1063 1HB PHE 52 HB2 PHE 52 5.949 27.116 27.116 1064 2HB PHE 52 HB1 PHE 52 6.109 28.500 28.500 1065 HD1 PHE 52 HD2 PHE 52 8.146 25.497 25.497 1066 HD2 PHE 52 HD1 PHE 52 7.362 28.359 28.359 1067 HE1 PHE 52 HE2 PHE 52 9.658 24.317 24.317 1068 HE2 PHE 52 HE1 PHE 52 8.893 27.149 27.149 1069 HZ PHE 52 HZ PHE 52 10.044 25.120 25.120 1070 H GLN 53 HN GLN 53 6.716 26.120 26.120 1071 HA GLN 53 HA GLN 53 7.412 25.856 25.856 1072 1HB GLN 53 HB2 GLN 53 7.522 23.522 23.522 1073 2HB GLN 53 HB1 GLN 53 6.942 23.559 23.559 1074 1HG GLN 53 HG2 GLN 53 4.860 23.846 23.846 1075 2HG GLN 53 HG1 GLN 53 5.360 25.424 25.424 1076 1HE2 GLN 53 HE22 GLN 53 5.074 24.358 24.358 1077 2HE2 GLN 53 HE21 GLN 53 4.950 25.615 25.615 1078 H SER 54 HN SER 54 9.161 23.899 23.899 1079 HA SER 54 HA SER 54 11.717 24.896 24.896 1080 1HB SER 54 HB2 SER 54 12.678 23.484 23.484 1081 2HB SER 54 HB1 SER 54 11.926 25.036 25.036 1082 HG SER 54 HG SER 54 11.281 22.907 22.907 1083 H ARG 55 HN ARG 55 10.011 23.018 23.018 1084 HA ARG 55 HA ARG 55 12.027 20.944 20.944 1085 1HB ARG 55 HB2 ARG 55 9.978 19.220 19.220 1086 2HB ARG 55 HB1 ARG 55 11.024 19.568 19.568 1087 1HG ARG 55 HG2 ARG 55 9.390 20.701 20.701 1088 2HG ARG 55 HG1 ARG 55 8.765 21.445 21.445 1089 1HD ARG 55 HD2 ARG 55 7.032 19.999 19.999 1090 2HD ARG 55 HD1 ARG 55 8.157 18.783 18.783 1091 HE ARG 55 HE ARG 55 8.692 18.336 18.336 1092 1HH1 ARG 55 HH21 ARG 55 7.542 19.578 19.578 1093 2HH1 ARG 55 HH22 ARG 55 5.860 19.174 19.174 1094 1HH2 ARG 55 HH11 ARG 55 5.737 17.904 17.904 1095 2HH2 ARG 55 HH12 ARG 55 4.838 18.228 18.228 1096 H LEU 56 HN LEU 56 8.512 21.073 21.073 1097 HA LEU 56 HA LEU 56 8.724 20.322 20.322 1098 1HB LEU 56 HB2 LEU 56 6.430 21.070 21.070 1099 2HB LEU 56 HB1 LEU 56 6.617 20.306 20.306 1100 HG LEU 56 HG LEU 56 5.446 22.169 22.169 1101 1HD1 LEU 56 HD13 LEU 56 8.296 23.147 23.147 1102 2HD1 LEU 56 HD12 LEU 56 6.999 24.029 24.029 1103 3HD1 LEU 56 HD11 LEU 56 7.449 22.432 22.432 1104 1HD2 LEU 56 HD23 LEU 56 5.651 22.966 22.966 1105 2HD2 LEU 56 HD22 LEU 56 5.136 24.074 24.074 1106 3HD2 LEU 56 HD21 LEU 56 6.803 24.103 24.103 1107 H SER 57 HN SER 57 7.248 22.350 22.350 1108 HA SER 57 HA SER 57 8.267 24.944 24.944 1109 1HB SER 57 HB2 SER 57 9.808 24.142 24.142 1110 2HB SER 57 HB1 SER 57 10.400 24.815 24.815 1111 HG SER 57 HG SER 57 11.249 22.927 22.927 1112 HA PRO 58 HA PRO 58 6.440 23.909 23.909 1113 1HB PRO 58 HB2 PRO 58 6.214 21.256 21.256 1114 2HB PRO 58 HB1 PRO 58 7.641 22.240 22.240 1115 1HG PRO 58 HG2 PRO 58 7.300 20.142 20.142 1116 2HG PRO 58 HG1 PRO 58 8.771 20.663 20.663 1117 1HD PRO 58 HD2 PRO 58 8.027 21.407 21.407 1118 2HD PRO 58 HD1 PRO 58 9.269 22.192 22.192 1119 H GLU 59 HN GLU 59 4.215 23.909 23.909 1120 HA GLU 59 HA GLU 59 1.960 23.332 23.332 1121 1HB GLU 59 HB2 GLU 59 2.924 21.184 21.184 1122 2HB GLU 59 HB1 GLU 59 1.381 21.274 21.274 1123 1HG GLU 59 HG2 GLU 59 3.987 21.116 21.116 1124 2HG GLU 59 HG1 GLU 59 3.152 19.666 19.666 1125 H GLU 60 HN GLU 60 3.122 25.417 25.417 1126 HA GLU 60 HA GLU 60 1.419 25.794 25.794 1127 1HB GLU 60 HB2 GLU 60 3.007 24.226 24.226 1128 2HB GLU 60 HB1 GLU 60 4.341 25.299 25.299 1129 1HG GLU 60 HG2 GLU 60 3.977 26.374 26.374 1130 2HG GLU 60 HG1 GLU 60 2.470 26.967 26.967 1131 HA PRO 61 HA PRO 61 3.292 29.496 29.496 1132 1HB PRO 61 HB2 PRO 61 0.875 30.683 30.683 1133 2HB PRO 61 HB1 PRO 61 1.690 29.551 29.551 1134 1HG PRO 61 HG2 PRO 61 -0.691 29.097 29.097 1135 2HG PRO 61 HG1 PRO 61 -0.237 28.294 28.294 1136 1HD PRO 61 HD2 PRO 61 0.101 27.233 27.233 1137 2HD PRO 61 HD1 PRO 61 0.858 26.615 26.615 1138 H ALA 62 HN ALA 62 3.415 31.620 31.620 1139 HA ALA 62 HA ALA 62 1.688 32.276 32.276 1140 1HB ALA 62 HB3 ALA 62 4.618 31.671 31.671 1141 2HB ALA 62 HB2 ALA 62 3.969 32.941 32.941 1142 3HB ALA 62 HB1 ALA 62 3.344 31.297 31.297 1143 HA PRO 63 HA PRO 63 2.310 36.112 36.112 1144 1HB PRO 63 HB2 PRO 63 0.535 37.566 37.566 1145 2HB PRO 63 HB1 PRO 63 0.062 36.475 36.475 1146 1HG PRO 63 HG2 PRO 63 -0.170 36.079 36.079 1147 2HG PRO 63 HG1 PRO 63 -1.141 35.375 35.375 1148 1HD PRO 63 HD2 PRO 63 0.935 34.067 34.067 1149 2HD PRO 63 HD1 PRO 63 0.182 33.505 33.505 1150 H GLU 64 HN GLU 64 4.087 37.268 37.268 1151 HA GLU 64 HA GLU 64 5.945 38.036 38.036 1152 1HB GLU 64 HB2 GLU 64 5.465 40.342 40.342 1153 2HB GLU 64 HB1 GLU 64 4.550 39.904 39.904 1154 1HG GLU 64 HG2 GLU 64 2.670 39.293 39.293 1155 2HG GLU 64 HG1 GLU 64 3.564 40.406 40.406 1156 H THR 65 HN THR 65 5.065 36.031 36.031 1157 HA THR 65 HA THR 65 4.137 37.023 37.023 1158 HB THR 65 HB THR 65 4.814 34.667 34.667 1159 HG1 THR 65 HG1 THR 65 5.895 33.531 33.531 1160 1HG2 THR 65 HG22 THR 65 2.748 35.500 35.500 1161 2HG2 THR 65 HG21 THR 65 3.046 33.762 33.762 1162 3HG2 THR 65 HG23 THR 65 2.580 34.619 34.619 1163 HA PRO 66 HA PRO 66 8.324 38.276 38.276 1164 1HB PRO 66 HB2 PRO 66 7.570 39.704 39.704 1165 2HB PRO 66 HB1 PRO 66 7.470 40.342 40.342 1166 1HG PRO 66 HG2 PRO 66 5.276 39.384 39.384 1167 2HG PRO 66 HG1 PRO 66 5.216 40.562 40.562 1168 1HD PRO 66 HD2 PRO 66 4.359 37.869 37.869 1169 2HD PRO 66 HD1 PRO 66 4.618 38.958 38.958 1170 H GLU 67 HN GLU 67 9.426 38.299 38.299 1171 HA GLU 67 HA GLU 67 8.837 35.622 35.622 1172 1HB GLU 67 HB2 GLU 67 11.252 37.439 37.439 1173 2HB GLU 67 HB1 GLU 67 11.091 35.864 35.864 1174 1HG GLU 67 HG2 GLU 67 10.440 35.365 35.365 1175 2HG GLU 67 HG1 GLU 67 11.792 36.494 36.494 1176 H ALA 68 HN ALA 68 7.625 35.612 35.612 1177 HA ALA 68 HA ALA 68 7.145 38.043 38.043 1178 1HB ALA 68 HB1 ALA 68 5.897 35.531 35.531 1179 2HB ALA 68 HB3 ALA 68 6.396 35.631 35.631 1180 3HB ALA 68 HB2 ALA 68 5.358 36.880 36.880 1181 HA PRO 69 HA PRO 69 10.512 37.600 37.600 1182 1HB PRO 69 HB2 PRO 69 9.581 39.317 39.317 1183 2HB PRO 69 HB1 PRO 69 10.284 39.857 39.857 1184 1HG PRO 69 HG2 PRO 69 7.424 39.828 39.828 1185 2HG PRO 69 HG1 PRO 69 8.238 40.879 40.879 1186 1HD PRO 69 HD2 PRO 69 6.605 38.656 38.656 1187 2HD PRO 69 HD1 PRO 69 7.690 39.504 39.504 1188 H GLU 70 HN GLU 70 10.436 37.639 37.639 1189 HA GLU 70 HA GLU 70 9.442 35.031 35.031 1190 1HB GLU 70 HB2 GLU 70 11.354 36.125 36.125 1191 2HB GLU 70 HB1 GLU 70 10.231 37.283 37.283 1192 1HG GLU 70 HG2 GLU 70 9.756 35.824 35.824 1193 2HG GLU 70 HG1 GLU 70 9.195 34.656 34.656 1194 H ALA 71 HN ALA 71 7.325 34.533 34.533 1195 HA ALA 71 HA ALA 71 5.620 35.664 35.664 1196 1HB ALA 71 HB2 ALA 71 5.908 37.397 37.397 1197 2HB ALA 71 HB1 ALA 71 4.284 36.714 36.714 1198 3HB ALA 71 HB3 ALA 71 4.816 37.575 37.575 1199 HA PRO 72 HA PRO 72 3.009 33.087 33.087 1200 1HB PRO 72 HB2 PRO 72 4.086 32.540 32.540 1201 2HB PRO 72 HB1 PRO 72 3.093 33.969 33.969 1202 1HG PRO 72 HG2 PRO 72 6.044 33.781 33.781 1203 2HG PRO 72 HG1 PRO 72 4.959 35.150 35.150 1204 1HD PRO 72 HD2 PRO 72 6.657 34.833 34.833 1205 2HD PRO 72 HD1 PRO 72 5.332 36.005 36.005 1206 H GLY 73 HN GLY 73 3.754 31.471 31.471 1207 1HA GLY 73 HA2 GLY 73 4.288 29.009 29.009 1208 2HA GLY 73 HA1 GLY 73 5.764 29.561 29.561 1209 H GLY 74 HN GLY 74 7.427 30.525 30.525 1210 1HA GLY 74 HA2 GLY 74 8.721 30.755 30.755 1211 2HA GLY 74 HA1 GLY 74 7.201 30.961 30.961 1212 H SER 75 HN SER 75 7.703 28.075 28.075 1213 HA SER 75 HA SER 75 8.391 26.552 26.552 1214 1HB SER 75 HB2 SER 75 5.895 26.423 26.423 1215 2HB SER 75 HB1 SER 75 6.652 24.855 24.855 1216 HG SER 75 HG SER 75 5.794 25.010 25.010 1217 H ALA 76 HN ALA 76 8.946 24.198 24.198 1218 HA ALA 76 HA ALA 76 9.858 23.853 23.853 1219 1HB ALA 76 HB1 ALA 76 11.796 24.179 24.179 1220 2HB ALA 76 HB3 ALA 76 12.239 23.400 23.400 1221 3HB ALA 76 HB2 ALA 76 11.748 25.094 25.094 1222 H VAL 77 HN VAL 77 11.785 22.052 22.052 1223 HA VAL 77 HA VAL 77 9.815 19.979 19.979 1224 HB VAL 77 HB VAL 77 11.047 18.246 18.246 1225 1HG1 VAL 77 HG13 VAL 77 8.890 19.563 19.563 1226 2HG1 VAL 77 HG12 VAL 77 9.944 20.396 20.396 1227 3HG1 VAL 77 HG11 VAL 77 9.732 18.648 18.648 1228 1HG2 VAL 77 HG21 VAL 77 12.987 20.063 20.063 1229 2HG2 VAL 77 HG23 VAL 77 12.694 18.846 18.846 1230 3HG2 VAL 77 HG22 VAL 77 12.061 20.480 20.480 Start of MODEL 8 1 1H ACE 0 HA1 ACE 0 4.460 -8.691 -8.691 2 2H ACE 0 HA2 ACE 0 5.671 -7.414 -7.414 3 3H ACE 0 HA3 ACE 0 4.635 -7.514 -7.514 4 H MET 1 HN MET 1 3.938 -7.628 -7.628 5 HA MET 1 HA MET 1 1.593 -5.925 -5.925 6 1HB MET 1 HB2 MET 1 1.413 -6.108 -6.108 7 2HB MET 1 HB1 MET 1 1.465 -7.667 -7.667 8 1HG MET 1 HG2 MET 1 3.451 -8.227 -8.227 9 2HG MET 1 HG1 MET 1 4.122 -6.614 -6.614 10 1HE MET 1 HE2 MET 1 1.278 -8.417 -8.417 11 2HE MET 1 HE1 MET 1 2.647 -9.105 -9.105 12 3HE MET 1 HE3 MET 1 1.480 -8.080 -8.080 13 H ASP 2 HN ASP 2 1.569 -3.733 -3.733 14 HA ASP 2 HA ASP 2 3.548 -2.352 -2.352 15 1HB ASP 2 HB2 ASP 2 4.341 -0.909 -0.909 16 2HB ASP 2 HB1 ASP 2 4.768 -2.600 -2.600 17 H LEU 3 HN LEU 3 0.504 -2.714 -2.714 18 HA LEU 3 HA LEU 3 -0.144 0.196 0.196 19 1HB LEU 3 HB2 LEU 3 -2.467 -0.570 -0.570 20 2HB LEU 3 HB1 LEU 3 -1.277 -1.104 -1.104 21 HG LEU 3 HG LEU 3 -1.897 -2.882 -2.882 22 1HD1 LEU 3 HD11 LEU 3 -3.739 -2.128 -2.128 23 2HD1 LEU 3 HD13 LEU 3 -3.567 -3.859 -3.859 24 3HD1 LEU 3 HD12 LEU 3 -4.100 -2.793 -2.793 25 1HD2 LEU 3 HD21 LEU 3 -0.212 -3.048 -3.048 26 2HD2 LEU 3 HD23 LEU 3 -0.812 -4.436 -4.436 27 3HD2 LEU 3 HD22 LEU 3 -1.627 -3.931 -3.931 28 H VAL 4 HN VAL 4 -0.611 -2.736 -2.736 29 HA VAL 4 HA VAL 4 -2.476 -1.660 -1.660 30 HB VAL 4 HB VAL 4 -1.725 -3.413 -3.413 31 1HG1 VAL 4 HG11 VAL 4 -1.639 -4.274 -4.274 32 2HG1 VAL 4 HG13 VAL 4 -1.851 -5.373 -5.373 33 3HG1 VAL 4 HG12 VAL 4 -3.078 -4.154 -4.154 34 1HG2 VAL 4 HG21 VAL 4 0.698 -3.370 -3.370 35 2HG2 VAL 4 HG23 VAL 4 0.628 -3.306 -3.306 36 3HG2 VAL 4 HG22 VAL 4 0.292 -4.819 -4.819 37 H LYS 5 HN LYS 5 1.065 -1.542 -1.542 38 HA LYS 5 HA LYS 5 1.078 0.311 0.311 39 1HB LYS 5 HB2 LYS 5 2.770 -1.785 -1.785 40 2HB LYS 5 HB1 LYS 5 3.669 -0.367 -0.367 41 1HG LYS 5 HG2 LYS 5 3.257 0.690 0.690 42 2HG LYS 5 HG1 LYS 5 2.526 -0.824 -0.824 43 1HD LYS 5 HD2 LYS 5 4.677 -1.988 -1.988 44 2HD LYS 5 HD1 LYS 5 5.385 -0.400 -0.400 45 1HE LYS 5 HE2 LYS 5 4.125 -0.186 -0.186 46 2HE LYS 5 HE1 LYS 5 4.962 -1.738 -1.738 47 1HZ LYS 5 HZ2 LYS 5 6.772 -0.121 -0.121 48 2HZ LYS 5 HZ1 LYS 5 6.038 0.935 0.935 49 3HZ LYS 5 HZ3 LYS 5 6.745 -0.507 -0.507 50 H ASN 6 HN ASN 6 -0.077 1.368 1.368 51 HA ASN 6 HA ASN 6 1.909 3.409 3.409 52 1HB ASN 6 HB2 ASN 6 0.952 1.285 1.285 53 2HB ASN 6 HB1 ASN 6 0.178 2.767 2.767 54 1HD2 ASN 6 HD22 ASN 6 3.112 3.968 3.968 55 2HD2 ASN 6 HD21 ASN 6 1.429 4.084 4.084 56 H HIS 7 HN HIS 7 -1.470 2.356 2.356 57 HA HIS 7 HA HIS 7 -2.404 5.125 5.125 58 1HB HIS 7 HB2 HIS 7 -4.613 4.148 4.148 59 2HB HIS 7 HB1 HIS 7 -3.508 3.226 3.226 60 HD1 HIS 7 HD1 HIS 7 -5.824 1.592 1.592 61 HD2 HIS 7 HD2 HIS 7 -2.618 1.985 1.985 62 HE1 HIS 7 HE1 HIS 7 -5.952 -0.382 -0.382 63 H LEU 8 HN LEU 8 -0.962 4.526 4.526 64 HA LEU 8 HA LEU 8 -2.856 4.089 4.089 65 1HB LEU 8 HB2 LEU 8 -0.034 5.184 5.184 66 2HB LEU 8 HB1 LEU 8 -0.918 5.194 5.194 67 HG LEU 8 HG LEU 8 -1.192 2.800 2.800 68 1HD1 LEU 8 HD11 LEU 8 -0.017 3.028 3.028 69 2HD1 LEU 8 HD13 LEU 8 -0.281 1.499 1.499 70 3HD1 LEU 8 HD12 LEU 8 -1.650 2.526 2.526 71 1HD2 LEU 8 HD21 LEU 8 1.095 3.812 3.812 72 2HD2 LEU 8 HD23 LEU 8 1.075 2.093 2.093 73 3HD2 LEU 8 HD22 LEU 8 1.637 3.270 3.270 74 H MET 9 HN MET 9 -2.330 6.599 6.599 75 HA MET 9 HA MET 9 -3.148 8.727 8.727 76 1HB MET 9 HB2 MET 9 -2.195 8.573 8.573 77 2HB MET 9 HB1 MET 9 -3.542 9.697 9.697 78 1HG MET 9 HG2 MET 9 -2.249 11.196 11.196 79 2HG MET 9 HG1 MET 9 -1.617 9.961 9.961 80 1HE MET 9 HE1 MET 9 0.360 9.429 9.429 81 2HE MET 9 HE3 MET 9 1.774 9.547 9.547 82 3HE MET 9 HE2 MET 9 1.084 11.000 11.000 83 H TYR 10 HN TYR 10 -4.633 6.159 6.159 84 HA TYR 10 HA TYR 10 -7.268 7.415 7.415 85 1HB TYR 10 HB2 TYR 10 -7.669 5.640 5.640 86 2HB TYR 10 HB1 TYR 10 -5.917 5.503 5.503 87 HD1 TYR 10 HD1 TYR 10 -5.278 4.236 4.236 88 HD2 TYR 10 HD2 TYR 10 -8.541 3.501 3.501 89 HE1 TYR 10 HE1 TYR 10 -5.488 1.931 1.931 90 HE2 TYR 10 HE2 TYR 10 -8.750 1.200 1.200 91 HH TYR 10 HH TYR 10 -6.523 -0.391 -0.391 92 H ALA 11 HN ALA 11 -5.367 5.775 5.775 93 HA ALA 11 HA ALA 11 -7.440 5.626 5.626 94 1HB ALA 11 HB2 ALA 11 -7.657 3.625 3.625 95 2HB ALA 11 HB1 ALA 11 -6.387 2.941 2.941 96 3HB ALA 11 HB3 ALA 11 -7.945 3.371 3.371 97 H VAL 12 HN VAL 12 -4.232 4.892 4.892 98 HA VAL 12 HA VAL 12 -2.285 4.357 4.357 99 HB VAL 12 HB VAL 12 -2.742 6.742 6.742 100 1HG1 VAL 12 HG13 VAL 12 -3.852 5.170 5.170 101 2HG1 VAL 12 HG12 VAL 12 -3.218 6.800 6.800 102 3HG1 VAL 12 HG11 VAL 12 -4.586 6.521 6.521 103 1HG2 VAL 12 HG21 VAL 12 -0.604 5.478 5.478 104 2HG2 VAL 12 HG23 VAL 12 -0.954 6.695 6.695 105 3HG2 VAL 12 HG22 VAL 12 -1.249 4.990 4.990 106 H ARG 13 HN ARG 13 -4.623 2.705 2.705 107 HA ARG 13 HA ARG 13 -5.233 1.666 1.666 108 1HB ARG 13 HB2 ARG 13 -5.629 -0.440 -0.440 109 2HB ARG 13 HB1 ARG 13 -6.005 0.849 0.849 110 1HG ARG 13 HG2 ARG 13 -3.773 0.612 0.612 111 2HG ARG 13 HG1 ARG 13 -3.388 -0.679 -0.679 112 1HD ARG 13 HD2 ARG 13 -5.908 -0.976 -0.976 113 2HD ARG 13 HD1 ARG 13 -4.400 -1.173 -1.173 114 HE ARG 13 HE ARG 13 -3.813 -2.998 -2.998 115 1HH1 ARG 13 HH11 ARG 13 -6.752 -1.550 -1.550 116 2HH1 ARG 13 HH12 ARG 13 -7.558 -3.039 -3.039 117 1HH2 ARG 13 HH21 ARG 13 -4.961 -5.029 -5.029 118 2HH2 ARG 13 HH22 ARG 13 -6.543 -5.010 -5.010 119 H GLU 14 HN GLU 14 -2.165 1.283 1.283 120 HA GLU 14 HA GLU 14 -0.936 -0.796 -0.796 121 1HB GLU 14 HB2 GLU 14 0.035 1.798 1.798 122 2HB GLU 14 HB1 GLU 14 1.125 0.943 0.943 123 1HG GLU 14 HG2 GLU 14 -0.147 -0.194 -0.194 124 2HG GLU 14 HG1 GLU 14 1.551 0.238 0.238 125 H GLU 15 HN GLU 15 -0.133 2.476 2.476 126 HA GLU 15 HA GLU 15 -0.742 1.591 1.591 127 1HB GLU 15 HB2 GLU 15 1.854 2.362 2.362 128 2HB GLU 15 HB1 GLU 15 1.440 3.248 3.248 129 1HG GLU 15 HG2 GLU 15 0.721 0.529 0.529 130 2HG GLU 15 HG1 GLU 15 2.350 0.536 0.536 131 H VAL 16 HN VAL 16 -0.723 3.612 3.612 132 HA VAL 16 HA VAL 16 -2.344 5.670 5.670 133 HB VAL 16 HB VAL 16 -1.603 6.071 6.071 134 1HG1 VAL 16 HG11 VAL 16 -3.945 6.340 6.340 135 2HG1 VAL 16 HG13 VAL 16 -4.295 6.024 6.024 136 3HG1 VAL 16 HG12 VAL 16 -3.350 7.439 7.439 137 1HG2 VAL 16 HG21 VAL 16 -3.102 3.621 3.621 138 2HG2 VAL 16 HG23 VAL 16 -1.712 3.676 3.676 139 3HG2 VAL 16 HG22 VAL 16 -3.282 4.262 4.262 140 H GLU 17 HN GLU 17 -1.536 7.599 7.599 141 HA GLU 17 HA GLU 17 1.252 8.154 8.154 142 1HB GLU 17 HB2 GLU 17 -0.738 9.149 9.149 143 2HB GLU 17 HB1 GLU 17 -0.748 10.383 10.383 144 1HG GLU 17 HG2 GLU 17 0.718 11.125 11.125 145 2HG GLU 17 HG1 GLU 17 1.707 10.718 10.718 146 H ILE 18 HN ILE 18 -1.311 9.161 9.161 147 HA ILE 18 HA ILE 18 0.339 11.047 11.047 148 HB ILE 18 HB ILE 18 -1.421 10.738 10.738 149 1HG1 ILE 18 HG12 ILE 18 -2.998 9.195 9.195 150 2HG1 ILE 18 HG11 ILE 18 -1.861 8.319 8.319 151 1HG2 ILE 18 HG22 ILE 18 -1.490 12.128 12.128 152 2HG2 ILE 18 HG21 ILE 18 -2.983 11.194 11.194 153 3HG2 ILE 18 HG23 ILE 18 -2.704 12.268 12.268 154 1HD1 ILE 18 HD11 ILE 18 -3.191 10.037 10.037 155 2HD1 ILE 18 HD13 ILE 18 -4.457 9.448 9.448 156 3HD1 ILE 18 HD12 ILE 18 -3.465 8.305 8.305 157 H LEU 19 HN LEU 19 -0.229 7.573 7.573 158 HA LEU 19 HA LEU 19 1.101 7.290 7.290 159 1HB LEU 19 HB2 LEU 19 -0.269 5.586 5.586 160 2HB LEU 19 HB1 LEU 19 1.313 4.881 4.881 161 HG LEU 19 HG LEU 19 -0.222 4.047 4.047 162 1HD1 LEU 19 HD11 LEU 19 2.152 5.224 5.224 163 2HD1 LEU 19 HD13 LEU 19 1.084 6.162 6.162 164 3HD1 LEU 19 HD12 LEU 19 1.159 4.407 4.407 165 1HD2 LEU 19 HD23 LEU 19 -1.405 6.598 6.598 166 2HD2 LEU 19 HD22 LEU 19 -1.957 5.284 5.284 167 3HD2 LEU 19 HD21 LEU 19 -0.859 6.511 6.511 168 H LYS 20 HN LYS 20 2.117 6.987 6.987 169 HA LYS 20 HA LYS 20 4.812 6.154 6.154 170 1HB LYS 20 HB2 LYS 20 3.804 5.667 5.667 171 2HB LYS 20 HB1 LYS 20 3.694 7.394 7.394 172 1HG LYS 20 HG2 LYS 20 6.378 6.715 6.715 173 2HG LYS 20 HG1 LYS 20 5.884 5.698 5.698 174 1HD LYS 20 HD2 LYS 20 5.153 8.557 8.557 175 2HD LYS 20 HD1 LYS 20 6.882 8.214 8.214 176 1HE LYS 20 HE2 LYS 20 6.458 6.518 6.518 177 2HE LYS 20 HE1 LYS 20 4.747 6.941 6.941 178 1HZ LYS 20 HZ1 LYS 20 6.708 9.088 9.088 179 2HZ LYS 20 HZ3 LYS 20 6.383 8.075 8.075 180 3HZ LYS 20 HZ2 LYS 20 5.123 8.958 8.958 181 H GLU 21 HN GLU 21 3.152 9.206 9.206 182 HA GLU 21 HA GLU 21 5.597 10.797 10.797 183 1HB GLU 21 HB2 GLU 21 2.688 11.495 11.495 184 2HB GLU 21 HB1 GLU 21 3.975 12.701 12.701 185 1HG GLU 21 HG2 GLU 21 3.474 10.811 10.811 186 2HG GLU 21 HG1 GLU 21 2.796 12.437 12.437 187 H GLN 22 HN GLN 22 3.425 9.543 9.543 188 HA GLN 22 HA GLN 22 4.509 11.144 11.144 189 1HB GLN 22 HB2 GLN 22 2.460 9.048 9.048 190 2HB GLN 22 HB1 GLN 22 3.332 8.961 8.961 191 1HG GLN 22 HG2 GLN 22 1.642 10.454 10.454 192 2HG GLN 22 HG1 GLN 22 2.901 11.572 11.572 193 1HE2 GLN 22 HE22 GLN 22 1.180 12.520 12.520 194 2HE2 GLN 22 HE21 GLN 22 2.689 12.494 12.494 195 H ILE 23 HN ILE 23 5.143 8.028 8.028 196 HA ILE 23 HA ILE 23 6.906 7.096 7.096 197 HB ILE 23 HB ILE 23 6.176 6.176 6.176 198 1HG1 ILE 23 HG12 ILE 23 6.434 4.543 4.543 199 2HG1 ILE 23 HG11 ILE 23 5.036 5.591 5.591 200 1HG2 ILE 23 HG22 ILE 23 8.546 5.150 5.150 201 2HG2 ILE 23 HG21 ILE 23 7.870 4.366 4.366 202 3HG2 ILE 23 HG23 ILE 23 8.622 5.955 5.955 203 1HD1 ILE 23 HD13 ILE 23 4.896 4.429 4.429 204 2HD1 ILE 23 HD12 ILE 23 5.887 3.181 3.181 205 3HD1 ILE 23 HD11 ILE 23 4.299 3.569 3.569 206 H ARG 24 HN ARG 24 7.343 8.626 8.626 207 HA ARG 24 HA ARG 24 10.239 8.683 8.683 208 1HB ARG 24 HB2 ARG 24 10.152 10.167 10.167 209 2HB ARG 24 HB1 ARG 24 9.100 8.774 8.774 210 1HG ARG 24 HG2 ARG 24 7.310 10.111 10.111 211 2HG ARG 24 HG1 ARG 24 7.632 10.864 10.864 212 1HD ARG 24 HD2 ARG 24 8.072 12.742 12.742 213 2HD ARG 24 HD1 ARG 24 9.593 11.955 11.955 214 HE ARG 24 HE ARG 24 7.328 11.283 11.283 215 1HH1 ARG 24 HH21 ARG 24 8.718 14.217 14.217 216 2HH1 ARG 24 HH22 ARG 24 9.515 14.303 14.303 217 1HH2 ARG 24 HH11 ARG 24 8.927 10.976 10.976 218 2HH2 ARG 24 HH12 ARG 24 9.633 12.466 12.466 219 H GLU 25 HN GLU 25 7.578 10.691 10.691 220 HA GLU 25 HA GLU 25 9.205 13.045 13.045 221 1HB GLU 25 HB2 GLU 25 6.885 13.459 13.459 222 2HB GLU 25 HB1 GLU 25 6.381 12.228 12.228 223 1HG GLU 25 HG2 GLU 25 7.027 13.549 13.549 224 2HG GLU 25 HG1 GLU 25 8.000 14.626 14.626 225 H LEU 26 HN LEU 26 8.146 10.163 10.163 226 HA LEU 26 HA LEU 26 9.031 11.130 11.130 227 1HB LEU 26 HB2 LEU 26 7.431 8.987 8.987 228 2HB LEU 26 HB1 LEU 26 8.844 8.248 8.248 229 HG LEU 26 HG LEU 26 7.196 8.578 8.578 230 1HD1 LEU 26 HD11 LEU 26 9.758 9.654 9.654 231 2HD1 LEU 26 HD13 LEU 26 8.749 10.960 10.960 232 3HD1 LEU 26 HD12 LEU 26 8.721 9.377 9.377 233 1HD2 LEU 26 HD21 LEU 26 6.982 11.300 11.300 234 2HD2 LEU 26 HD23 LEU 26 5.694 10.184 10.184 235 3HD2 LEU 26 HD22 LEU 26 6.554 11.089 11.089 236 H VAL 27 HN VAL 27 10.318 9.361 9.361 237 HA VAL 27 HA VAL 27 12.698 8.437 8.437 238 HB VAL 27 HB VAL 27 11.910 8.505 8.505 239 1HG1 VAL 27 HG11 VAL 27 14.546 8.111 8.111 240 2HG1 VAL 27 HG13 VAL 27 14.079 6.836 6.836 241 3HG1 VAL 27 HG12 VAL 27 14.151 8.512 8.512 242 1HG2 VAL 27 HG23 VAL 27 12.195 6.359 6.359 243 2HG2 VAL 27 HG22 VAL 27 10.754 6.788 6.788 244 3HG2 VAL 27 HG21 VAL 27 12.101 5.979 5.979 245 H GLU 28 HN GLU 28 11.691 11.188 11.188 246 HA GLU 28 HA GLU 28 14.407 12.262 12.262 247 1HB GLU 28 HB2 GLU 28 11.674 13.470 13.470 248 2HB GLU 28 HB1 GLU 28 13.201 14.292 14.292 249 1HG GLU 28 HG2 GLU 28 12.614 11.551 11.551 250 2HG GLU 28 HG1 GLU 28 12.127 13.020 13.020 251 H LYS 29 HN LYS 29 11.643 12.558 12.558 252 HA LYS 29 HA LYS 29 12.763 14.828 14.828 253 1HB LYS 29 HB2 LYS 29 10.258 13.376 13.376 254 2HB LYS 29 HB1 LYS 29 10.848 13.487 13.487 255 1HG LYS 29 HG2 LYS 29 9.873 15.546 15.546 256 2HG LYS 29 HG1 LYS 29 11.349 16.016 16.016 257 1HD LYS 29 HD2 LYS 29 9.658 14.886 14.886 258 2HD LYS 29 HD1 LYS 29 8.641 15.959 15.959 259 1HE LYS 29 HE2 LYS 29 9.515 17.446 17.446 260 2HE LYS 29 HE1 LYS 29 10.667 17.624 17.624 261 1HZ LYS 29 HZ3 LYS 29 12.086 15.980 15.980 262 2HZ LYS 29 HZ2 LYS 29 10.986 15.875 15.875 263 3HZ LYS 29 HZ1 LYS 29 11.818 17.326 17.326 264 H ASN 30 HN ASN 30 12.857 11.360 11.360 265 HA ASN 30 HA ASN 30 13.943 11.127 11.127 266 1HB ASN 30 HB2 ASN 30 13.272 9.323 9.323 267 2HB ASN 30 HB1 ASN 30 14.677 8.819 8.819 268 1HD2 ASN 30 HD22 ASN 30 12.793 8.040 8.040 269 2HD2 ASN 30 HD21 ASN 30 14.346 8.293 8.293 270 H SER 31 HN SER 31 15.207 11.262 11.262 271 HA SER 31 HA SER 31 17.969 10.819 10.819 272 1HB SER 31 HB2 SER 31 17.598 10.303 10.303 273 2HB SER 31 HB1 SER 31 16.575 11.714 11.714 274 HG SER 31 HG SER 31 18.784 11.812 11.812 275 H GLN 32 HN GLN 32 15.898 13.627 13.627 276 HA GLN 32 HA GLN 32 18.060 15.552 15.552 277 1HB GLN 32 HB2 GLN 32 15.372 15.638 15.638 278 2HB GLN 32 HB1 GLN 32 15.433 16.609 16.609 279 1HG GLN 32 HG2 GLN 32 15.919 17.920 17.920 280 2HG GLN 32 HG1 GLN 32 17.220 17.975 17.975 281 1HE2 GLN 32 HE22 GLN 32 17.796 15.942 15.942 282 2HE2 GLN 32 HE21 GLN 32 16.222 16.355 16.355 283 H LEU 33 HN LEU 33 15.776 13.940 13.940 284 HA LEU 33 HA LEU 33 16.422 15.630 15.630 285 1HB LEU 33 HB2 LEU 33 14.210 14.300 14.300 286 2HB LEU 33 HB1 LEU 33 15.100 12.932 12.932 287 HG LEU 33 HG LEU 33 15.654 14.476 14.476 288 1HD1 LEU 33 HD12 LEU 33 14.629 16.436 16.436 289 2HD1 LEU 33 HD11 LEU 33 13.174 15.982 15.982 290 3HD1 LEU 33 HD13 LEU 33 14.610 16.511 16.511 291 1HD2 LEU 33 HD22 LEU 33 13.501 12.773 12.773 292 2HD2 LEU 33 HD21 LEU 33 14.002 13.352 13.352 293 3HD2 LEU 33 HD23 LEU 33 12.754 14.214 14.214 294 H GLU 34 HN GLU 34 17.566 12.723 12.723 295 HA GLU 34 HA GLU 34 19.064 11.789 11.789 296 1HB GLU 34 HB2 GLU 34 18.332 10.134 10.134 297 2HB GLU 34 HB1 GLU 34 19.152 11.003 11.003 298 1HG GLU 34 HG2 GLU 34 21.302 10.472 10.472 299 2HG GLU 34 HG1 GLU 34 20.645 9.970 9.970 300 H ARG 35 HN ARG 35 19.570 13.767 13.767 301 HA ARG 35 HA ARG 35 22.463 13.970 13.970 302 1HB ARG 35 HB2 ARG 35 20.458 14.929 14.929 303 2HB ARG 35 HB1 ARG 35 21.715 16.116 16.116 304 1HG ARG 35 HG2 ARG 35 23.449 14.434 14.434 305 2HG ARG 35 HG1 ARG 35 22.195 13.245 13.245 306 1HD ARG 35 HD2 ARG 35 22.441 13.991 13.991 307 2HD ARG 35 HD1 ARG 35 21.386 15.294 15.294 308 HE ARG 35 HE ARG 35 23.414 16.675 16.675 309 1HH1 ARG 35 HH11 ARG 35 25.384 14.383 14.383 310 2HH1 ARG 35 HH12 ARG 35 26.135 14.506 14.506 311 1HH2 ARG 35 HH21 ARG 35 23.662 16.544 16.544 312 2HH2 ARG 35 HH22 ARG 35 25.159 15.727 15.727 313 H GLU 36 HN GLU 36 19.579 15.839 15.839 314 HA GLU 36 HA GLU 36 21.068 18.098 18.098 315 1HB GLU 36 HB2 GLU 36 18.400 17.607 17.607 316 2HB GLU 36 HB1 GLU 36 18.383 17.727 17.727 317 1HG GLU 36 HG2 GLU 36 18.224 19.968 19.968 318 2HG GLU 36 HG1 GLU 36 19.981 19.820 19.820 319 H ASN 37 HN ASN 37 19.733 15.091 15.091 320 HA ASN 37 HA ASN 37 20.212 15.721 15.721 321 1HB ASN 37 HB2 ASN 37 18.539 13.995 13.995 322 2HB ASN 37 HB1 ASN 37 19.942 12.946 12.946 323 1HD2 ASN 37 HD22 ASN 37 18.336 12.559 12.559 324 2HD2 ASN 37 HD21 ASN 37 17.637 12.627 12.627 325 H THR 38 HN THR 38 21.947 14.223 14.223 326 HA THR 38 HA THR 38 24.092 13.163 13.163 327 HB THR 38 HB THR 38 23.888 13.705 13.705 328 HG1 THR 38 HG1 THR 38 23.410 11.556 11.556 329 1HG2 THR 38 HG23 THR 38 26.208 13.290 13.290 330 2HG2 THR 38 HG22 THR 38 25.917 11.804 11.804 331 3HG2 THR 38 HG21 THR 38 26.096 13.336 13.336 332 H LEU 39 HN LEU 39 23.390 16.139 16.139 333 HA LEU 39 HA LEU 39 26.054 17.267 17.267 334 1HB LEU 39 HB2 LEU 39 24.460 17.999 17.999 335 2HB LEU 39 HB1 LEU 39 23.411 18.666 18.666 336 HG LEU 39 HG LEU 39 26.242 19.518 19.518 337 1HD1 LEU 39 HD13 LEU 39 24.397 20.381 20.381 338 2HD1 LEU 39 HD12 LEU 39 25.885 21.217 21.217 339 3HD1 LEU 39 HD11 LEU 39 25.952 19.565 19.565 340 1HD2 LEU 39 HD22 LEU 39 23.529 20.863 20.863 341 2HD2 LEU 39 HD21 LEU 39 24.595 20.451 20.451 342 3HD2 LEU 39 HD23 LEU 39 25.059 21.717 21.717 343 H LEU 40 HN LEU 40 23.026 17.304 17.304 344 HA LEU 40 HA LEU 40 23.955 19.306 19.306 345 1HB LEU 40 HB2 LEU 40 21.480 18.048 18.048 346 2HB LEU 40 HB1 LEU 40 21.830 17.683 17.683 347 HG LEU 40 HG LEU 40 20.611 19.782 19.782 348 1HD1 LEU 40 HD12 LEU 40 23.424 19.651 19.651 349 2HD1 LEU 40 HD11 LEU 40 22.824 21.291 21.291 350 3HD1 LEU 40 HD13 LEU 40 22.000 20.203 20.203 351 1HD2 LEU 40 HD23 LEU 40 22.050 20.110 20.110 352 2HD2 LEU 40 HD22 LEU 40 20.879 21.229 21.229 353 3HD2 LEU 40 HD21 LEU 40 22.596 21.407 21.407 354 H LYS 41 HN LYS 41 24.003 15.834 15.834 355 HA LYS 41 HA LYS 41 24.666 15.256 15.256 356 1HB LYS 41 HB2 LYS 41 23.759 13.463 13.463 357 2HB LYS 41 HB1 LYS 41 24.983 13.684 13.684 358 1HG LYS 41 HG2 LYS 41 26.742 13.043 13.043 359 2HG LYS 41 HG1 LYS 41 25.507 12.794 12.794 360 1HD LYS 41 HD2 LYS 41 24.619 10.915 10.915 361 2HD LYS 41 HD1 LYS 41 25.302 11.370 11.370 362 1HE LYS 41 HE2 LYS 41 26.950 10.538 10.538 363 2HE LYS 41 HE1 LYS 41 26.511 9.460 9.460 364 1HZ LYS 41 HZ2 LYS 41 27.517 11.424 11.424 365 2HZ LYS 41 HZ1 LYS 41 28.381 11.707 11.707 366 3HZ LYS 41 HZ3 LYS 41 28.506 10.206 10.206 367 H THR 42 HN THR 42 26.567 15.620 15.620 368 HA THR 42 HA THR 42 29.109 15.259 15.259 369 HB THR 42 HB THR 42 29.226 16.841 16.841 370 HG1 THR 42 HG1 THR 42 28.276 15.340 15.340 371 1HG2 THR 42 HG22 THR 42 30.337 14.301 14.301 372 2HG2 THR 42 HG21 THR 42 30.424 14.557 14.557 373 3HG2 THR 42 HG23 THR 42 31.186 15.706 15.706 374 H LEU 43 HN LEU 43 27.034 17.980 17.980 375 HA LEU 43 HA LEU 43 28.903 20.076 20.076 376 1HB LEU 43 HB2 LEU 43 26.703 20.422 20.422 377 2HB LEU 43 HB1 LEU 43 25.894 20.076 20.076 378 HG LEU 43 HG LEU 43 27.424 21.958 21.958 379 1HD1 LEU 43 HD12 LEU 43 28.766 22.034 22.034 380 2HD1 LEU 43 HD11 LEU 43 27.358 22.781 22.781 381 3HD1 LEU 43 HD13 LEU 43 28.183 23.596 23.596 382 1HD2 LEU 43 HD22 LEU 43 25.006 22.261 22.261 383 2HD2 LEU 43 HD21 LEU 43 25.125 22.413 22.413 384 3HD2 LEU 43 HD23 LEU 43 25.754 23.690 23.690 385 H ALA 44 HN ALA 44 26.585 18.344 18.344 386 HA ALA 44 HA ALA 44 27.695 19.723 19.723 387 1HB ALA 44 HB3 ALA 44 25.137 18.659 18.659 388 2HB ALA 44 HB2 ALA 44 25.749 17.730 17.730 389 3HB ALA 44 HB1 ALA 44 25.601 19.483 19.483 390 H SER 45 HN SER 45 28.911 17.467 17.467 391 HA SER 45 HA SER 45 29.139 15.190 15.190 392 1HB SER 45 HB2 SER 45 29.566 14.497 14.497 393 2HB SER 45 HB1 SER 45 30.307 16.024 16.024 394 HG SER 45 HG SER 45 32.163 15.181 15.181 395 HA PRO 46 HA PRO 46 33.423 17.099 17.099 396 1HB PRO 46 HB2 PRO 46 33.821 19.727 19.727 397 2HB PRO 46 HB1 PRO 46 34.213 18.360 18.360 398 1HG PRO 46 HG2 PRO 46 31.947 20.283 20.283 399 2HG PRO 46 HG1 PRO 46 32.721 19.333 19.333 400 1HD PRO 46 HD2 PRO 46 30.252 18.748 18.748 401 2HD PRO 46 HD1 PRO 46 31.165 17.663 17.663 402 H GLU 47 HN GLU 47 31.262 17.132 17.132 403 HA GLU 47 HA GLU 47 31.598 19.704 19.704 404 1HB GLU 47 HB2 GLU 47 29.211 18.275 18.275 405 2HB GLU 47 HB1 GLU 47 29.268 18.441 18.441 406 1HG GLU 47 HG2 GLU 47 28.154 20.383 20.383 407 2HG GLU 47 HG1 GLU 47 29.632 20.863 20.863 408 H GLN 48 HN GLN 48 31.995 19.542 19.542 409 HA GLN 48 HA GLN 48 32.081 16.846 16.846 410 1HB GLN 48 HB2 GLN 48 34.445 18.556 18.556 411 2HB GLN 48 HB1 GLN 48 34.440 17.726 17.726 412 1HG GLN 48 HG2 GLN 48 34.557 15.638 15.638 413 2HG GLN 48 HG1 GLN 48 33.640 16.123 16.123 414 1HE2 GLN 48 HE22 GLN 48 37.596 15.959 15.959 415 2HE2 GLN 48 HE21 GLN 48 36.685 15.169 15.169 416 H LEU 49 HN LEU 49 30.512 17.468 17.468 417 HA LEU 49 HA LEU 49 31.239 19.664 19.664 418 1HB LEU 49 HB2 LEU 49 28.409 19.168 19.168 419 2HB LEU 49 HB1 LEU 49 29.253 20.661 20.661 420 HG LEU 49 HG LEU 49 28.949 18.451 18.451 421 1HD1 LEU 49 HD13 LEU 49 26.813 19.847 19.847 422 2HD1 LEU 49 HD12 LEU 49 27.212 20.768 20.768 423 3HD1 LEU 49 HD11 LEU 49 26.826 19.052 19.052 424 1HD2 LEU 49 HD23 LEU 49 30.061 21.132 21.132 425 2HD2 LEU 49 HD22 LEU 49 30.366 19.805 19.805 426 3HD2 LEU 49 HD21 LEU 49 28.965 20.854 20.854 427 H GLU 50 HN GLU 50 30.299 16.416 16.416 428 HA GLU 50 HA GLU 50 31.009 14.909 14.909 429 1HB GLU 50 HB2 GLU 50 30.391 15.261 15.261 430 2HB GLU 50 HB1 GLU 50 31.003 16.811 16.811 431 1HG GLU 50 HG2 GLU 50 28.962 17.822 17.822 432 2HG GLU 50 HG1 GLU 50 28.084 16.397 16.397 433 H LYS 51 HN LYS 51 27.745 16.378 16.378 434 HA LYS 51 HA LYS 51 26.832 13.775 13.775 435 1HB LYS 51 HB2 LYS 51 25.638 13.065 13.065 436 2HB LYS 51 HB1 LYS 51 26.915 13.905 13.905 437 1HG LYS 51 HG2 LYS 51 24.342 15.341 15.341 438 2HG LYS 51 HG1 LYS 51 24.423 14.277 14.277 439 1HD LYS 51 HD2 LYS 51 25.126 16.186 16.186 440 2HD LYS 51 HD1 LYS 51 26.686 15.657 15.657 441 1HE LYS 51 HE2 LYS 51 26.392 17.082 17.082 442 2HE LYS 51 HE1 LYS 51 24.810 17.587 17.587 443 1HZ LYS 51 HZ1 LYS 51 26.648 17.990 17.990 444 2HZ LYS 51 HZ3 LYS 51 27.332 18.632 18.632 445 3HZ LYS 51 HZ2 LYS 51 25.806 19.164 19.164 446 H PHE 52 HN PHE 52 25.288 14.019 14.019 447 HA PHE 52 HA PHE 52 23.029 15.800 15.800 448 1HB PHE 52 HB2 PHE 52 24.211 17.317 17.317 449 2HB PHE 52 HB1 PHE 52 24.286 17.722 17.722 450 HD1 PHE 52 HD1 PHE 52 26.097 15.480 15.480 451 HD2 PHE 52 HD2 PHE 52 26.350 17.917 17.917 452 HE1 PHE 52 HE1 PHE 52 28.458 14.988 14.988 453 HE2 PHE 52 HE2 PHE 52 28.683 17.404 17.404 454 HZ PHE 52 HZ PHE 52 29.796 15.981 15.981 455 H GLN 53 HN GLN 53 24.567 16.054 16.054 456 HA GLN 53 HA GLN 53 22.974 15.277 15.277 457 1HB GLN 53 HB2 GLN 53 24.917 15.298 15.298 458 2HB GLN 53 HB1 GLN 53 25.794 14.965 14.965 459 1HG GLN 53 HG2 GLN 53 25.272 12.501 12.501 460 2HG GLN 53 HG1 GLN 53 24.713 12.968 12.968 461 1HE2 GLN 53 HE22 GLN 53 28.658 13.780 13.780 462 2HE2 GLN 53 HE21 GLN 53 27.475 14.051 14.051 463 H SER 54 HN SER 54 24.575 12.536 12.536 464 HA SER 54 HA SER 54 22.694 10.879 10.879 465 1HB SER 54 HB2 SER 54 22.306 11.075 11.075 466 2HB SER 54 HB1 SER 54 21.951 9.563 9.563 467 HG SER 54 HG SER 54 20.768 11.113 11.113 468 H ARG 55 HN ARG 55 25.551 10.957 10.957 469 HA ARG 55 HA ARG 55 26.007 8.117 8.117 470 1HB ARG 55 HB2 ARG 55 28.325 9.013 9.013 471 2HB ARG 55 HB1 ARG 55 26.899 8.869 8.869 472 1HG ARG 55 HG2 ARG 55 26.723 11.101 11.101 473 2HG ARG 55 HG1 ARG 55 27.012 11.411 11.411 474 1HD ARG 55 HD2 ARG 55 29.004 12.251 12.251 475 2HD ARG 55 HD1 ARG 55 29.483 10.558 10.558 476 HE ARG 55 HE ARG 55 29.207 12.286 12.286 477 1HH1 ARG 55 HH11 ARG 55 29.605 9.098 9.098 478 2HH1 ARG 55 HH12 ARG 55 29.050 8.399 8.399 479 1HH2 ARG 55 HH21 ARG 55 27.963 11.414 11.414 480 2HH2 ARG 55 HH22 ARG 55 28.123 9.709 9.709 481 H LEU 56 HN LEU 56 28.134 10.863 10.863 482 HA LEU 56 HA LEU 56 29.788 9.454 9.454 483 1HB LEU 56 HB2 LEU 56 29.167 11.977 11.977 484 2HB LEU 56 HB1 LEU 56 30.655 11.476 11.476 485 HG LEU 56 HG LEU 56 29.511 12.036 12.036 486 1HD1 LEU 56 HD13 LEU 56 27.188 12.089 12.089 487 2HD1 LEU 56 HD12 LEU 56 27.663 13.674 13.674 488 3HD1 LEU 56 HD11 LEU 56 27.546 13.395 13.395 489 1HD2 LEU 56 HD21 LEU 56 31.207 13.444 13.444 490 2HD2 LEU 56 HD23 LEU 56 30.041 14.411 14.411 491 3HD2 LEU 56 HD22 LEU 56 29.906 14.261 14.261 492 H SER 57 HN SER 57 27.026 11.420 11.420 493 HA SER 57 HA SER 57 26.396 9.252 9.252 494 1HB SER 57 HB2 SER 57 27.547 10.597 10.597 495 2HB SER 57 HB1 SER 57 27.221 12.067 12.067 496 HG SER 57 HG SER 57 25.908 11.090 11.090 497 HA PRO 58 HA PRO 58 22.574 10.692 10.692 498 1HB PRO 58 HB2 PRO 58 21.310 8.267 8.267 499 2HB PRO 58 HB1 PRO 58 22.376 8.733 8.733 500 1HG PRO 58 HG2 PRO 58 22.918 6.878 6.878 501 2HG PRO 58 HG1 PRO 58 23.628 6.891 6.891 502 1HD PRO 58 HD2 PRO 58 24.856 7.882 7.882 503 2HD PRO 58 HD1 PRO 58 25.391 8.193 8.193 504 H GLU 59 HN GLU 59 21.718 11.971 11.971 505 HA GLU 59 HA GLU 59 19.650 11.094 11.094 506 1HB GLU 59 HB2 GLU 59 21.953 10.195 10.195 507 2HB GLU 59 HB1 GLU 59 21.880 11.799 11.799 508 1HG GLU 59 HG2 GLU 59 19.354 11.141 11.141 509 2HG GLU 59 HG1 GLU 59 19.982 9.499 9.499 510 H GLU 60 HN GLU 60 19.886 13.292 13.292 511 HA GLU 60 HA GLU 60 20.638 15.623 15.623 512 1HB GLU 60 HB2 GLU 60 20.433 15.131 15.131 513 2HB GLU 60 HB1 GLU 60 19.077 16.205 16.205 514 1HG GLU 60 HG2 GLU 60 20.618 17.765 17.765 515 2HG GLU 60 HG1 GLU 60 21.970 16.703 16.703 516 HA PRO 61 HA PRO 61 15.915 16.293 16.293 517 1HB PRO 61 HB2 PRO 61 14.363 14.327 14.327 518 2HB PRO 61 HB1 PRO 61 15.038 15.687 15.687 519 1HG PRO 61 HG2 PRO 61 15.882 12.832 12.832 520 2HG PRO 61 HG1 PRO 61 16.097 14.062 14.062 521 1HD PRO 61 HD2 PRO 61 18.071 13.164 13.164 522 2HD PRO 61 HD1 PRO 61 18.200 14.564 14.564 523 H ALA 62 HN ALA 62 13.926 15.259 15.259 524 HA ALA 62 HA ALA 62 13.818 12.791 12.791 525 1HB ALA 62 HB1 ALA 62 15.998 14.416 14.416 526 2HB ALA 62 HB3 ALA 62 14.859 13.917 13.917 527 3HB ALA 62 HB2 ALA 62 15.654 12.704 12.704 528 HA PRO 63 HA PRO 63 10.686 15.991 15.991 529 1HB PRO 63 HB2 PRO 63 8.621 14.852 14.852 530 2HB PRO 63 HB1 PRO 63 9.718 16.070 16.070 531 1HG PRO 63 HG2 PRO 63 9.617 13.139 13.139 532 2HG PRO 63 HG1 PRO 63 10.234 14.444 14.444 533 1HD PRO 63 HD2 PRO 63 11.803 12.664 12.664 534 2HD PRO 63 HD1 PRO 63 12.376 14.143 14.143 535 H GLU 64 HN GLU 64 9.882 15.593 15.593 536 HA GLU 64 HA GLU 64 9.270 14.302 14.302 537 1HB GLU 64 HB2 GLU 64 7.153 15.026 15.026 538 2HB GLU 64 HB1 GLU 64 7.146 13.571 13.571 539 1HG GLU 64 HG2 GLU 64 6.542 12.215 12.215 540 2HG GLU 64 HG1 GLU 64 7.470 13.142 13.142 541 H THR 65 HN THR 65 11.306 12.887 12.887 542 HA THR 65 HA THR 65 10.382 10.156 10.156 543 HB THR 65 HB THR 65 12.415 9.830 9.830 544 HG1 THR 65 HG1 THR 65 13.707 9.430 9.430 545 1HG2 THR 65 HG21 THR 65 11.887 12.265 12.265 546 2HG2 THR 65 HG23 THR 65 13.053 12.701 12.701 547 3HG2 THR 65 HG22 THR 65 13.576 11.783 11.783 548 HA PRO 66 HA PRO 66 12.419 9.423 9.423 549 1HB PRO 66 HB2 PRO 66 13.129 11.629 11.629 550 2HB PRO 66 HB1 PRO 66 14.222 10.822 10.822 551 1HG PRO 66 HG2 PRO 66 12.815 13.425 13.425 552 2HG PRO 66 HG1 PRO 66 14.291 12.855 12.855 553 1HD PRO 66 HD2 PRO 66 11.679 12.951 12.951 554 2HD PRO 66 HD1 PRO 66 13.113 12.184 12.184 555 H GLU 67 HN GLU 67 11.085 8.978 8.978 556 HA GLU 67 HA GLU 67 8.990 10.987 10.987 557 1HB GLU 67 HB2 GLU 67 8.216 9.011 9.011 558 2HB GLU 67 HB1 GLU 67 8.386 8.035 8.035 559 1HG GLU 67 HG2 GLU 67 6.410 8.794 8.794 560 2HG GLU 67 HG1 GLU 67 7.007 10.453 10.453 561 H ALA 68 HN ALA 68 9.151 11.434 11.434 562 HA ALA 68 HA ALA 68 10.875 10.356 10.356 563 1HB ALA 68 HB3 ALA 68 9.110 12.286 12.286 564 2HB ALA 68 HB2 ALA 68 8.092 11.026 11.026 565 3HB ALA 68 HB1 ALA 68 9.636 11.428 11.428 566 HA PRO 69 HA PRO 69 9.052 6.214 6.214 567 1HB PRO 69 HB2 PRO 69 11.390 5.003 5.003 568 2HB PRO 69 HB1 PRO 69 10.998 5.368 5.368 569 1HG PRO 69 HG2 PRO 69 12.913 6.748 6.748 570 2HG PRO 69 HG1 PRO 69 12.933 6.632 6.632 571 1HD PRO 69 HD2 PRO 69 12.081 8.873 8.873 572 2HD PRO 69 HD1 PRO 69 11.792 8.605 8.605 573 H GLU 70 HN GLU 70 9.766 4.445 4.445 574 HA GLU 70 HA GLU 70 9.333 5.970 5.970 575 1HB GLU 70 HB2 GLU 70 8.100 3.498 3.498 576 2HB GLU 70 HB1 GLU 70 8.426 3.509 3.509 577 1HG GLU 70 HG2 GLU 70 7.156 5.577 5.577 578 2HG GLU 70 HG1 GLU 70 6.902 5.678 5.678 579 H ALA 71 HN ALA 71 10.025 4.499 4.499 580 HA ALA 71 HA ALA 71 11.814 3.510 3.510 581 1HB ALA 71 HB1 ALA 71 11.659 2.048 2.048 582 2HB ALA 71 HB3 ALA 71 13.157 1.868 1.868 583 3HB ALA 71 HB2 ALA 71 11.615 1.425 1.425 584 HA PRO 72 HA PRO 72 15.345 5.931 5.931 585 1HB PRO 72 HB2 PRO 72 17.236 4.577 4.577 586 2HB PRO 72 HB1 PRO 72 16.000 5.621 5.621 587 1HG PRO 72 HG2 PRO 72 16.149 2.641 2.641 588 2HG PRO 72 HG1 PRO 72 15.360 3.706 3.706 589 1HD PRO 72 HD2 PRO 72 14.059 2.263 2.263 590 2HD PRO 72 HD1 PRO 72 13.352 3.583 3.583 591 H GLY 73 HN GLY 73 16.974 5.970 5.970 592 1HA GLY 73 HA2 GLY 73 18.771 4.964 4.964 593 2HA GLY 73 HA1 GLY 73 18.079 3.377 3.377 594 H GLY 74 HN GLY 74 17.872 6.218 6.218 595 1HA GLY 74 HA2 GLY 74 16.934 4.852 4.852 596 2HA GLY 74 HA1 GLY 74 15.498 5.453 5.453 597 H SER 75 HN SER 75 16.244 7.901 7.901 598 HA SER 75 HA SER 75 16.670 10.121 10.121 599 1HB SER 75 HB2 SER 75 18.800 8.784 8.784 600 2HB SER 75 HB1 SER 75 18.073 9.326 9.326 601 HG SER 75 HG SER 75 18.859 11.213 11.213 602 H ALA 76 HN ALA 76 15.686 11.650 11.650 603 HA ALA 76 HA ALA 76 14.260 10.559 10.559 604 1HB ALA 76 HB3 ALA 76 12.985 11.770 11.770 605 2HB ALA 76 HB2 ALA 76 12.229 11.975 11.975 606 3HB ALA 76 HB1 ALA 76 12.484 10.357 10.357 607 H VAL 77 HN VAL 77 14.432 13.569 13.569 608 HA VAL 77 HA VAL 77 15.089 15.007 15.007 609 HB VAL 77 HB VAL 77 13.791 16.305 16.305 610 1HG1 VAL 77 HG13 VAL 77 14.165 16.933 16.933 611 2HG1 VAL 77 HG12 VAL 77 12.885 17.711 17.711 612 3HG1 VAL 77 HG11 VAL 77 14.571 17.923 17.923 613 1HG2 VAL 77 HG22 VAL 77 12.436 14.899 14.899 614 2HG2 VAL 77 HG21 VAL 77 12.329 14.448 14.448 615 3HG2 VAL 77 HG23 VAL 77 11.613 15.960 15.960 616 1H ACE 0 HA1 ACE 0 16.704 -16.724 -16.724 617 2H ACE 0 HA2 ACE 0 16.457 -16.316 -16.316 618 3H ACE 0 HA3 ACE 0 17.207 -15.146 -15.146 619 H MET 1 HN MET 1 14.689 -14.974 -14.974 620 HA MET 1 HA MET 1 12.547 -14.050 -14.050 621 1HB MET 1 HB2 MET 1 13.607 -13.451 -13.451 622 2HB MET 1 HB1 MET 1 12.152 -12.749 -12.749 623 1HG MET 1 HG2 MET 1 13.351 -11.239 -11.239 624 2HG MET 1 HG1 MET 1 14.434 -12.487 -12.487 625 1HE MET 1 HE2 MET 1 15.490 -10.031 -10.031 626 2HE MET 1 HE1 MET 1 16.610 -9.608 -9.608 627 3HE MET 1 HE3 MET 1 14.897 -9.187 -9.187 628 H ASP 2 HN ASP 2 10.730 -14.072 -14.072 629 HA ASP 2 HA ASP 2 9.341 -15.459 -15.459 630 1HB ASP 2 HB2 ASP 2 11.712 -16.378 -16.378 631 2HB ASP 2 HB1 ASP 2 11.258 -17.753 -17.753 632 H LEU 3 HN LEU 3 9.506 -15.364 -15.364 633 HA LEU 3 HA LEU 3 8.013 -17.903 -17.903 634 1HB LEU 3 HB2 LEU 3 10.197 -18.163 -18.163 635 2HB LEU 3 HB1 LEU 3 10.045 -16.588 -16.588 636 HG LEU 3 HG LEU 3 7.709 -18.081 -18.081 637 1HD1 LEU 3 HD12 LEU 3 10.262 -19.640 -19.640 638 2HD1 LEU 3 HD11 LEU 3 9.159 -19.854 -19.854 639 3HD1 LEU 3 HD13 LEU 3 8.612 -20.193 -20.193 640 1HD2 LEU 3 HD22 LEU 3 10.062 -16.863 -16.863 641 2HD2 LEU 3 HD21 LEU 3 8.341 -16.584 -16.584 642 3HD2 LEU 3 HD23 LEU 3 9.114 -18.023 -18.023 643 H VAL 4 HN VAL 4 8.665 -14.589 -14.589 644 HA VAL 4 HA VAL 4 6.317 -14.483 -14.483 645 HB VAL 4 HB VAL 4 6.745 -12.099 -12.099 646 1HG1 VAL 4 HG13 VAL 4 9.336 -13.659 -13.659 647 2HG1 VAL 4 HG12 VAL 4 9.148 -12.121 -12.121 648 3HG1 VAL 4 HG11 VAL 4 8.322 -13.561 -13.561 649 1HG2 VAL 4 HG23 VAL 4 8.546 -12.567 -12.567 650 2HG2 VAL 4 HG22 VAL 4 7.042 -11.646 -11.646 651 3HG2 VAL 4 HG21 VAL 4 8.446 -11.053 -11.053 652 H LYS 5 HN LYS 5 6.974 -13.716 -13.716 653 HA LYS 5 HA LYS 5 4.184 -12.780 -12.780 654 1HB LYS 5 HB2 LYS 5 6.624 -12.856 -12.856 655 2HB LYS 5 HB1 LYS 5 5.022 -12.439 -12.439 656 1HG LYS 5 HG2 LYS 5 4.972 -10.738 -10.738 657 2HG LYS 5 HG1 LYS 5 6.722 -10.958 -10.958 658 1HD LYS 5 HD2 LYS 5 6.893 -10.258 -10.258 659 2HD LYS 5 HD1 LYS 5 5.137 -10.199 -10.199 660 1HE LYS 5 HE2 LYS 5 5.300 -8.018 -8.018 661 2HE LYS 5 HE1 LYS 5 5.640 -8.596 -8.596 662 1HZ LYS 5 HZ1 LYS 5 7.995 -8.647 -8.647 663 2HZ LYS 5 HZ3 LYS 5 7.660 -8.063 -8.063 664 3HZ LYS 5 HZ2 LYS 5 7.355 -7.085 -7.085 665 H ASN 6 HN ASN 6 4.729 -15.577 -15.577 666 HA ASN 6 HA ASN 6 3.700 -16.875 -16.875 667 1HB ASN 6 HB2 ASN 6 6.035 -17.480 -17.480 668 2HB ASN 6 HB1 ASN 6 4.893 -18.816 -18.816 669 1HD2 ASN 6 HD22 ASN 6 5.253 -19.847 -19.847 670 2HD2 ASN 6 HD21 ASN 6 4.409 -20.060 -20.060 671 H HIS 7 HN HIS 7 3.899 -17.317 -17.317 672 HA HIS 7 HA HIS 7 1.469 -18.941 -18.941 673 1HB HIS 7 HB2 HIS 7 1.714 -18.670 -18.670 674 2HB HIS 7 HB1 HIS 7 3.014 -19.520 -19.520 675 HD1 HIS 7 HD1 HIS 7 4.525 -18.751 -18.751 676 HD2 HIS 7 HD2 HIS 7 3.185 -15.690 -15.690 677 HE1 HIS 7 HE1 HIS 7 5.948 -16.726 -16.726 678 H LEU 8 HN LEU 8 2.085 -15.632 -15.632 679 HA LEU 8 HA LEU 8 0.500 -14.113 -14.113 680 1HB LEU 8 HB2 LEU 8 -0.550 -13.248 -13.248 681 2HB LEU 8 HB1 LEU 8 1.094 -12.886 -12.886 682 HG LEU 8 HG LEU 8 1.997 -14.681 -14.681 683 1HD1 LEU 8 HD13 LEU 8 -0.886 -15.494 -15.494 684 2HD1 LEU 8 HD12 LEU 8 0.236 -16.010 -16.010 685 3HD1 LEU 8 HD11 LEU 8 0.512 -16.472 -16.472 686 1HD2 LEU 8 HD23 LEU 8 -0.160 -13.171 -13.171 687 2HD2 LEU 8 HD22 LEU 8 1.529 -12.701 -12.701 688 3HD2 LEU 8 HD21 LEU 8 1.107 -14.114 -14.114 689 H MET 9 HN MET 9 -1.073 -16.749 -16.749 690 HA MET 9 HA MET 9 -3.691 -15.612 -15.612 691 1HB MET 9 HB2 MET 9 -2.938 -18.552 -18.552 692 2HB MET 9 HB1 MET 9 -4.572 -17.897 -17.897 693 1HG MET 9 HG2 MET 9 -3.309 -16.322 -16.322 694 2HG MET 9 HG1 MET 9 -2.377 -17.811 -17.811 695 1HE MET 9 HE1 MET 9 -5.051 -15.772 -15.772 696 2HE MET 9 HE3 MET 9 -6.334 -16.715 -16.715 697 3HE MET 9 HE2 MET 9 -6.293 -16.539 -16.539 698 H TYR 10 HN TYR 10 -1.712 -18.034 -18.034 699 HA TYR 10 HA TYR 10 -3.130 -18.665 -18.665 700 1HB TYR 10 HB2 TYR 10 -1.052 -19.306 -19.306 701 2HB TYR 10 HB1 TYR 10 -0.741 -19.344 -19.344 702 HD1 TYR 10 HD2 TYR 10 -0.651 -16.252 -16.252 703 HD2 TYR 10 HD1 TYR 10 1.252 -18.912 -18.912 704 HE1 TYR 10 HE2 TYR 10 1.170 -14.627 -14.627 705 HE2 TYR 10 HE1 TYR 10 3.098 -17.284 -17.284 706 HH TYR 10 HH TYR 10 3.181 -14.257 -14.257 707 H ALA 11 HN ALA 11 -2.013 -15.505 -15.505 708 HA ALA 11 HA ALA 11 -3.084 -14.314 -14.314 709 1HB ALA 11 HB3 ALA 11 -0.391 -15.277 -15.277 710 2HB ALA 11 HB2 ALA 11 -0.329 -13.516 -13.516 711 3HB ALA 11 HB1 ALA 11 -1.214 -14.334 -14.334 712 H VAL 12 HN VAL 12 -0.844 -14.067 -14.067 713 HA VAL 12 HA VAL 12 -0.842 -12.535 -12.535 714 HB VAL 12 HB VAL 12 -3.294 -12.000 -12.000 715 1HG1 VAL 12 HG13 VAL 12 -1.891 -10.273 -10.273 716 2HG1 VAL 12 HG12 VAL 12 -2.172 -9.243 -9.243 717 3HG1 VAL 12 HG11 VAL 12 -3.538 -9.948 -9.948 718 1HG2 VAL 12 HG23 VAL 12 -1.686 -10.311 -10.311 719 2HG2 VAL 12 HG22 VAL 12 -2.633 -11.747 -11.747 720 3HG2 VAL 12 HG21 VAL 12 -3.444 -10.270 -10.270 721 H ARG 13 HN ARG 13 -0.085 -12.066 -12.066 722 HA ARG 13 HA ARG 13 1.317 -10.517 -10.517 723 1HB ARG 13 HB2 ARG 13 2.631 -12.321 -12.321 724 2HB ARG 13 HB1 ARG 13 3.195 -10.868 -10.868 725 1HG ARG 13 HG2 ARG 13 4.717 -10.677 -10.677 726 2HG ARG 13 HG1 ARG 13 3.367 -10.200 -10.200 727 1HD ARG 13 HD2 ARG 13 2.985 -12.733 -12.733 728 2HD ARG 13 HD1 ARG 13 4.617 -12.926 -12.926 729 HE ARG 13 HE ARG 13 5.436 -12.131 -12.131 730 1HH1 ARG 13 HH21 ARG 13 4.886 -9.598 -9.598 731 2HH1 ARG 13 HH22 ARG 13 3.521 -9.564 -9.564 732 1HH2 ARG 13 HH11 ARG 13 2.493 -12.781 -12.781 733 2HH2 ARG 13 HH12 ARG 13 2.169 -11.363 -11.363 734 H GLU 14 HN GLU 14 -0.451 -8.889 -8.889 735 HA GLU 14 HA GLU 14 1.184 -6.585 -6.585 736 1HB GLU 14 HB2 GLU 14 0.649 -7.816 -7.816 737 2HB GLU 14 HB1 GLU 14 -1.058 -7.511 -7.511 738 1HG GLU 14 HG2 GLU 14 0.379 -5.054 -5.054 739 2HG GLU 14 HG1 GLU 14 0.825 -5.759 -5.759 740 H GLU 15 HN GLU 15 -0.197 -6.889 -6.889 741 HA GLU 15 HA GLU 15 -2.817 -5.531 -5.531 742 1HB GLU 15 HB2 GLU 15 -2.099 -7.581 -7.581 743 2HB GLU 15 HB1 GLU 15 -1.915 -6.192 -6.192 744 1HG GLU 15 HG2 GLU 15 -4.149 -5.842 -5.842 745 2HG GLU 15 HG1 GLU 15 -4.354 -6.075 -6.075 746 H VAL 16 HN VAL 16 -3.091 -4.046 -4.046 747 HA VAL 16 HA VAL 16 -1.253 -1.816 -1.816 748 HB VAL 16 HB VAL 16 -2.696 -0.601 -0.601 749 1HG1 VAL 16 HG11 VAL 16 -3.721 -2.067 -2.067 750 2HG1 VAL 16 HG13 VAL 16 -4.960 -1.413 -1.413 751 3HG1 VAL 16 HG12 VAL 16 -3.757 -0.341 -0.341 752 1HG2 VAL 16 HG21 VAL 16 -3.090 -2.997 -2.997 753 2HG2 VAL 16 HG23 VAL 16 -4.197 -1.639 -1.639 754 3HG2 VAL 16 HG22 VAL 16 -4.561 -2.907 -2.907 755 H GLU 17 HN GLU 17 -0.819 -4.539 -4.539 756 HA GLU 17 HA GLU 17 0.059 -3.492 -3.492 757 1HB GLU 17 HB2 GLU 17 0.987 -6.080 -6.080 758 2HB GLU 17 HB1 GLU 17 0.822 -5.699 -5.699 759 1HG GLU 17 HG2 GLU 17 -1.412 -6.136 -6.136 760 2HG GLU 17 HG1 GLU 17 -1.662 -5.427 -5.427 761 H ILE 18 HN ILE 18 1.523 -4.039 -4.039 762 HA ILE 18 HA ILE 18 4.260 -3.743 -3.743 763 HB ILE 18 HB ILE 18 4.843 -3.683 -3.683 764 1HG1 ILE 18 HG12 ILE 18 1.920 -3.040 -3.040 765 2HG1 ILE 18 HG11 ILE 18 3.261 -1.902 -1.902 766 1HG2 ILE 18 HG23 ILE 18 3.238 -5.671 -5.671 767 2HG2 ILE 18 HG22 ILE 18 2.455 -5.318 -5.318 768 3HG2 ILE 18 HG21 ILE 18 4.152 -5.798 -5.798 769 1HD1 ILE 18 HD11 ILE 18 4.058 -4.110 -4.110 770 2HD1 ILE 18 HD13 ILE 18 2.346 -3.915 -3.915 771 3HD1 ILE 18 HD12 ILE 18 3.462 -2.572 -2.572 772 H LEU 19 HN LEU 19 1.754 -1.524 -1.524 773 HA LEU 19 HA LEU 19 3.643 0.731 0.731 774 1HB LEU 19 HB2 LEU 19 1.814 2.051 2.051 775 2HB LEU 19 HB1 LEU 19 1.647 0.484 0.484 776 HG LEU 19 HG LEU 19 0.206 -0.029 -0.029 777 1HD1 LEU 19 HD13 LEU 19 0.772 2.548 2.548 778 2HD1 LEU 19 HD12 LEU 19 -0.673 2.783 2.783 779 3HD1 LEU 19 HD11 LEU 19 -0.751 1.801 1.801 780 1HD2 LEU 19 HD22 LEU 19 -0.324 0.220 0.220 781 2HD2 LEU 19 HD21 LEU 19 -1.602 0.012 0.012 782 3HD2 LEU 19 HD23 LEU 19 -1.216 1.621 1.621 783 H LYS 20 HN LYS 20 1.271 -0.660 -0.660 784 HA LYS 20 HA LYS 20 1.177 1.658 1.658 785 1HB LYS 20 HB2 LYS 20 0.112 -1.134 -1.134 786 2HB LYS 20 HB1 LYS 20 0.302 -0.312 -0.312 787 1HG LYS 20 HG2 LYS 20 -1.001 1.615 1.615 788 2HG LYS 20 HG1 LYS 20 -1.256 0.714 0.714 789 1HD LYS 20 HD2 LYS 20 -3.032 -0.296 -0.296 790 2HD LYS 20 HD1 LYS 20 -1.960 -1.018 -1.018 791 1HE LYS 20 HE2 LYS 20 -3.511 0.192 0.192 792 2HE LYS 20 HE1 LYS 20 -2.117 1.267 1.267 793 1HZ LYS 20 HZ3 LYS 20 -3.500 1.940 1.940 794 2HZ LYS 20 HZ2 LYS 20 -4.756 1.575 1.575 795 3HZ LYS 20 HZ1 LYS 20 -3.600 2.754 2.754 796 H GLU 21 HN GLU 21 3.033 -1.316 -1.316 797 HA GLU 21 HA GLU 21 4.361 -0.943 -0.943 798 1HB GLU 21 HB2 GLU 21 4.072 -3.076 -3.076 799 2HB GLU 21 HB1 GLU 21 5.756 -2.605 -2.605 800 1HG GLU 21 HG2 GLU 21 4.633 -2.847 -2.847 801 2HG GLU 21 HG1 GLU 21 5.161 -4.291 -4.291 802 H GLN 22 HN GLN 22 4.867 -0.004 -0.004 803 HA GLN 22 HA GLN 22 7.648 0.781 0.781 804 1HB GLN 22 HB2 GLN 22 6.512 0.210 0.210 805 2HB GLN 22 HB1 GLN 22 5.746 1.796 1.796 806 1HG GLN 22 HG2 GLN 22 7.610 2.596 2.596 807 2HG GLN 22 HG1 GLN 22 8.409 2.344 2.344 808 1HE2 GLN 22 HE22 GLN 22 10.431 -0.269 -0.269 809 2HE2 GLN 22 HE21 GLN 22 10.089 0.817 0.817 810 H ILE 23 HN ILE 23 4.491 2.392 2.392 811 HA ILE 23 HA ILE 23 5.664 5.021 5.021 812 HB ILE 23 HB ILE 23 3.321 5.719 5.719 813 1HG1 ILE 23 HG12 ILE 23 2.002 3.297 3.297 814 2HG1 ILE 23 HG11 ILE 23 3.025 2.954 2.954 815 1HG2 ILE 23 HG23 ILE 23 4.104 4.170 4.170 816 2HG2 ILE 23 HG22 ILE 23 2.421 4.676 4.676 817 3HG2 ILE 23 HG21 ILE 23 3.708 5.881 5.881 818 1HD1 ILE 23 HD12 ILE 23 1.889 5.362 5.362 819 2HD1 ILE 23 HD11 ILE 23 0.575 4.567 4.567 820 3HD1 ILE 23 HD13 ILE 23 1.310 3.783 3.783 821 H ARG 24 HN ARG 24 4.545 2.327 2.327 822 HA ARG 24 HA ARG 24 4.512 3.849 3.849 823 1HB ARG 24 HB2 ARG 24 3.965 1.084 1.084 824 2HB ARG 24 HB1 ARG 24 4.794 1.190 1.190 825 1HG ARG 24 HG2 ARG 24 3.002 3.096 3.096 826 2HG ARG 24 HG1 ARG 24 2.089 2.209 2.209 827 1HD ARG 24 HD2 ARG 24 2.060 0.229 0.229 828 2HD ARG 24 HD1 ARG 24 3.363 0.790 0.790 829 HE ARG 24 HE ARG 24 1.749 2.360 2.360 830 1HH1 ARG 24 HH11 ARG 24 -0.443 2.876 2.876 831 2HH1 ARG 24 HH12 ARG 24 -1.626 1.666 1.666 832 1HH2 ARG 24 HH21 ARG 24 0.647 -0.476 -0.476 833 2HH2 ARG 24 HH22 ARG 24 -1.010 -0.229 -0.229 834 H GLU 25 HN GLU 25 6.787 1.866 1.866 835 HA GLU 25 HA GLU 25 8.774 1.835 1.835 836 1HB GLU 25 HB2 GLU 25 8.471 0.164 0.164 837 2HB GLU 25 HB1 GLU 25 9.448 1.346 1.346 838 1HG GLU 25 HG2 GLU 25 10.934 1.178 1.178 839 2HG GLU 25 HG1 GLU 25 10.204 -0.426 -0.426 840 H LEU 26 HN LEU 26 7.994 3.827 3.827 841 HA LEU 26 HA LEU 26 10.495 5.348 5.348 842 1HB LEU 26 HB2 LEU 26 8.018 5.402 5.402 843 2HB LEU 26 HB1 LEU 26 8.851 6.944 6.944 844 HG LEU 26 HG LEU 26 10.565 4.598 4.598 845 1HD1 LEU 26 HD11 LEU 26 8.725 5.892 5.892 846 2HD1 LEU 26 HD13 LEU 26 10.060 4.805 4.805 847 3HD1 LEU 26 HD12 LEU 26 8.674 4.209 4.209 848 1HD2 LEU 26 HD22 LEU 26 11.022 7.237 7.237 849 2HD2 LEU 26 HD21 LEU 26 11.954 6.221 6.221 850 3HD2 LEU 26 HD23 LEU 26 10.617 7.189 7.189 851 H VAL 27 HN VAL 27 7.248 5.521 5.521 852 HA VAL 27 HA VAL 27 7.594 8.242 8.242 853 HB VAL 27 HB VAL 27 5.468 6.120 6.120 854 1HG1 VAL 27 HG11 VAL 27 6.077 8.571 8.571 855 2HG1 VAL 27 HG13 VAL 27 4.431 8.540 8.540 856 3HG1 VAL 27 HG12 VAL 27 4.996 7.242 7.242 857 1HG2 VAL 27 HG23 VAL 27 5.622 7.322 7.322 858 2HG2 VAL 27 HG22 VAL 27 4.093 7.549 7.549 859 3HG2 VAL 27 HG21 VAL 27 5.310 8.825 8.825 860 H GLU 28 HN GLU 28 8.115 4.959 4.959 861 HA GLU 28 HA GLU 28 8.361 5.552 5.552 862 1HB GLU 28 HB2 GLU 28 7.785 3.299 3.299 863 2HB GLU 28 HB1 GLU 28 8.982 3.160 3.160 864 1HG GLU 28 HG2 GLU 28 10.767 2.964 2.964 865 2HG GLU 28 HG1 GLU 28 9.873 3.730 3.730 866 H LYS 29 HN LYS 29 10.519 5.141 5.141 867 HA LYS 29 HA LYS 29 12.949 5.513 5.513 868 1HB LYS 29 HB2 LYS 29 12.514 4.497 4.497 869 2HB LYS 29 HB1 LYS 29 12.903 6.156 6.156 870 1HG LYS 29 HG2 LYS 29 15.090 5.820 5.820 871 2HG LYS 29 HG1 LYS 29 14.739 5.214 5.214 872 1HD LYS 29 HD2 LYS 29 13.967 3.054 3.054 873 2HD LYS 29 HD1 LYS 29 15.030 3.696 3.696 874 1HE LYS 29 HE2 LYS 29 16.598 2.502 2.502 875 2HE LYS 29 HE1 LYS 29 16.663 3.999 3.999 876 1HZ LYS 29 HZ3 LYS 29 14.593 2.659 2.659 877 2HZ LYS 29 HZ2 LYS 29 15.689 1.409 1.409 878 3HZ LYS 29 HZ1 LYS 29 16.172 2.717 2.717 879 H ASN 30 HN ASN 30 10.729 7.547 7.547 880 HA ASN 30 HA ASN 30 12.353 9.942 9.942 881 1HB ASN 30 HB2 ASN 30 10.621 9.857 9.857 882 2HB ASN 30 HB1 ASN 30 9.394 9.472 9.472 883 1HD2 ASN 30 HD22 ASN 30 10.084 13.306 13.306 884 2HD2 ASN 30 HD21 ASN 30 10.554 12.017 12.017 885 H SER 31 HN SER 31 9.940 8.403 8.403 886 HA SER 31 HA SER 31 9.633 10.630 10.630 887 1HB SER 31 HB2 SER 31 8.864 7.735 7.735 888 2HB SER 31 HB1 SER 31 8.866 8.590 8.590 889 HG SER 31 HG SER 31 7.066 9.463 9.463 890 H GLN 32 HN GLN 32 11.729 7.790 7.790 891 HA GLN 32 HA GLN 32 12.927 8.131 8.131 892 1HB GLN 32 HB2 GLN 32 13.131 6.273 6.273 893 2HB GLN 32 HB1 GLN 32 14.739 6.985 6.985 894 1HG GLN 32 HG2 GLN 32 15.035 6.205 6.205 895 2HG GLN 32 HG1 GLN 32 13.304 6.186 6.186 896 1HE2 GLN 32 HE22 GLN 32 13.122 2.749 2.749 897 2HE2 GLN 32 HE21 GLN 32 12.586 4.068 4.068 898 H LEU 33 HN LEU 33 13.559 9.380 9.380 899 HA LEU 33 HA LEU 33 16.026 10.736 10.736 900 1HB LEU 33 HB2 LEU 33 14.379 10.527 10.527 901 2HB LEU 33 HB1 LEU 33 15.427 11.935 11.935 902 HG LEU 33 HG LEU 33 17.379 10.563 10.563 903 1HD1 LEU 33 HD12 LEU 33 16.303 8.834 8.834 904 2HD1 LEU 33 HD11 LEU 33 15.503 8.177 8.177 905 3HD1 LEU 33 HD13 LEU 33 17.261 8.120 8.120 906 1HD2 LEU 33 HD21 LEU 33 16.073 10.741 10.741 907 2HD2 LEU 33 HD23 LEU 33 17.515 9.737 9.737 908 3HD2 LEU 33 HD22 LEU 33 15.916 8.998 8.998 909 H GLU 34 HN GLU 34 12.643 11.346 11.346 910 HA GLU 34 HA GLU 34 12.840 14.258 14.258 911 1HB GLU 34 HB2 GLU 34 10.782 12.795 12.795 912 2HB GLU 34 HB1 GLU 34 10.541 12.665 12.665 913 1HG GLU 34 HG2 GLU 34 11.077 15.411 15.411 914 2HG GLU 34 HG1 GLU 34 9.627 14.737 14.737 915 H ARG 35 HN ARG 35 12.462 11.697 11.697 916 HA ARG 35 HA ARG 35 12.475 13.610 13.610 917 1HB ARG 35 HB2 ARG 35 11.413 11.263 11.263 918 2HB ARG 35 HB1 ARG 35 13.054 10.654 10.654 919 1HG ARG 35 HG2 ARG 35 13.147 11.343 11.343 920 2HG ARG 35 HG1 ARG 35 12.376 12.887 12.887 921 1HD ARG 35 HD2 ARG 35 10.202 11.971 11.971 922 2HD ARG 35 HD1 ARG 35 10.796 10.316 10.316 923 HE ARG 35 HE ARG 35 11.395 11.984 11.984 924 1HH1 ARG 35 HH11 ARG 35 9.392 9.573 9.573 925 2HH1 ARG 35 HH12 ARG 35 9.625 8.468 8.468 926 1HH2 ARG 35 HH21 ARG 35 12.116 10.353 10.353 927 2HH2 ARG 35 HH22 ARG 35 11.170 8.905 8.905 928 H GLU 36 HN GLU 36 14.845 11.709 11.709 929 HA GLU 36 HA GLU 36 16.967 12.218 12.218 930 1HB GLU 36 HB2 GLU 36 16.750 10.844 10.844 931 2HB GLU 36 HB1 GLU 36 18.345 11.394 11.394 932 1HG GLU 36 HG2 GLU 36 18.484 9.834 9.834 933 2HG GLU 36 HG1 GLU 36 16.788 10.022 10.022 934 H ASN 37 HN ASN 37 15.768 13.615 13.615 935 HA ASN 37 HA ASN 37 18.041 15.403 15.403 936 1HB ASN 37 HB2 ASN 37 16.657 14.720 14.720 937 2HB ASN 37 HB1 ASN 37 15.244 15.479 15.479 938 1HD2 ASN 37 HD22 ASN 37 17.886 17.752 17.752 939 2HD2 ASN 37 HD21 ASN 37 18.041 16.065 16.065 940 H THR 38 HN THR 38 14.832 15.608 15.608 941 HA THR 38 HA THR 38 15.043 18.461 18.461 942 HB THR 38 HB THR 38 13.275 16.560 16.560 943 HG1 THR 38 HG1 THR 38 11.835 16.659 16.659 944 1HG2 THR 38 HG21 THR 38 13.022 19.427 19.427 945 2HG2 THR 38 HG23 THR 38 11.746 18.537 18.537 946 3HG2 THR 38 HG22 THR 38 13.266 18.886 18.886 947 H LEU 39 HN LEU 39 15.952 15.502 15.502 948 HA LEU 39 HA LEU 39 16.469 16.766 16.766 949 1HB LEU 39 HB2 LEU 39 16.454 14.117 14.117 950 2HB LEU 39 HB1 LEU 39 18.069 14.410 14.410 951 HG LEU 39 HG LEU 39 15.779 15.339 15.339 952 1HD1 LEU 39 HD13 LEU 39 15.201 13.014 13.014 953 2HD1 LEU 39 HD12 LEU 39 16.598 12.429 12.429 954 3HD1 LEU 39 HD11 LEU 39 15.246 13.175 13.175 955 1HD2 LEU 39 HD21 LEU 39 18.143 15.633 15.633 956 2HD2 LEU 39 HD23 LEU 39 17.282 14.574 14.574 957 3HD2 LEU 39 HD22 LEU 39 18.377 13.887 13.887 958 H LEU 40 HN LEU 40 18.433 15.849 15.849 959 HA LEU 40 HA LEU 40 20.903 16.835 16.835 960 1HB LEU 40 HB2 LEU 40 20.074 15.842 15.842 961 2HB LEU 40 HB1 LEU 40 21.604 16.701 16.701 962 HG LEU 40 HG LEU 40 20.864 14.395 14.395 963 1HD1 LEU 40 HD11 LEU 40 21.012 14.007 14.007 964 2HD1 LEU 40 HD13 LEU 40 22.738 14.005 14.005 965 3HD1 LEU 40 HD12 LEU 40 21.670 12.843 12.843 966 1HD2 LEU 40 HD22 LEU 40 23.480 15.699 15.699 967 2HD2 LEU 40 HD21 LEU 40 22.683 15.861 15.861 968 3HD2 LEU 40 HD23 LEU 40 23.342 14.302 14.302 969 H LYS 41 HN LYS 41 18.285 18.184 18.184 970 HA LYS 41 HA LYS 41 19.775 20.572 20.572 971 1HB LYS 41 HB2 LYS 41 17.923 19.760 19.760 972 2HB LYS 41 HB1 LYS 41 16.804 19.961 19.961 973 1HG LYS 41 HG2 LYS 41 16.561 22.154 22.154 974 2HG LYS 41 HG1 LYS 41 18.309 22.395 22.395 975 1HD LYS 41 HD2 LYS 41 18.385 21.509 21.509 976 2HD LYS 41 HD1 LYS 41 16.623 21.417 21.417 977 1HE LYS 41 HE2 LYS 41 16.453 23.820 23.820 978 2HE LYS 41 HE1 LYS 41 18.205 23.956 23.956 979 1HZ LYS 41 HZ3 LYS 41 17.620 22.616 22.616 980 2HZ LYS 41 HZ2 LYS 41 16.646 24.007 24.007 981 3HZ LYS 41 HZ1 LYS 41 18.334 24.142 24.142 982 H THR 42 HN THR 42 17.672 19.568 19.568 983 HA THR 42 HA THR 42 17.428 22.304 22.304 984 HB THR 42 HB THR 42 15.612 20.571 20.571 985 HG1 THR 42 HG1 THR 42 15.622 22.306 22.306 986 1HG2 THR 42 HG21 THR 42 17.753 18.998 18.998 987 2HG2 THR 42 HG23 THR 42 16.791 19.332 19.332 988 3HG2 THR 42 HG22 THR 42 16.044 18.570 18.570 989 H LEU 43 HN LEU 43 19.421 19.453 19.453 990 HA LEU 43 HA LEU 43 20.595 20.516 20.516 991 1HB LEU 43 HB2 LEU 43 20.429 18.019 18.019 992 2HB LEU 43 HB1 LEU 43 21.811 18.348 18.348 993 HG LEU 43 HG LEU 43 22.379 19.525 19.525 994 1HD1 LEU 43 HD11 LEU 43 21.218 16.739 16.739 995 2HD1 LEU 43 HD13 LEU 43 22.371 17.327 17.327 996 3HD1 LEU 43 HD12 LEU 43 20.817 18.136 18.136 997 1HD2 LEU 43 HD22 LEU 43 23.431 17.010 17.010 998 2HD2 LEU 43 HD21 LEU 43 24.032 18.648 18.648 999 3HD2 LEU 43 HD23 LEU 43 24.233 17.873 17.873 1000 H ALA 44 HN ALA 44 21.584 20.147 20.147 1001 HA ALA 44 HA ALA 44 24.114 21.512 21.512 1002 1HB ALA 44 HB2 ALA 44 23.622 19.939 19.939 1003 2HB ALA 44 HB1 ALA 44 22.534 21.159 21.159 1004 3HB ALA 44 HB3 ALA 44 24.259 21.498 21.498 1005 H SER 45 HN SER 45 20.851 22.455 22.455 1006 HA SER 45 HA SER 45 21.699 25.304 25.304 1007 1HB SER 45 HB2 SER 45 20.595 25.928 25.928 1008 2HB SER 45 HB1 SER 45 21.129 24.314 24.314 1009 HG SER 45 HG SER 45 18.640 25.266 25.266 1010 HA PRO 46 HA PRO 46 18.368 24.736 24.736 1011 1HB PRO 46 HB2 PRO 46 19.008 27.003 27.003 1012 2HB PRO 46 HB1 PRO 46 19.798 25.433 25.433 1013 1HG PRO 46 HG2 PRO 46 20.828 27.866 27.866 1014 2HG PRO 46 HG1 PRO 46 21.725 26.597 26.597 1015 1HD PRO 46 HD2 PRO 46 21.482 26.803 26.803 1016 2HD PRO 46 HD1 PRO 46 21.969 25.339 25.339 1017 H GLU 47 HN GLU 47 19.033 27.192 27.192 1018 HA GLU 47 HA GLU 47 17.702 28.835 28.835 1019 1HB GLU 47 HB2 GLU 47 15.272 27.413 27.413 1020 2HB GLU 47 HB1 GLU 47 15.555 28.131 28.131 1021 1HG GLU 47 HG2 GLU 47 17.226 26.350 26.350 1022 2HG GLU 47 HG1 GLU 47 16.851 25.609 25.609 1023 H GLN 48 HN GLN 48 16.106 30.583 30.583 1024 HA GLN 48 HA GLN 48 14.967 31.073 31.073 1025 1HB GLN 48 HB2 GLN 48 17.663 31.409 31.409 1026 2HB GLN 48 HB1 GLN 48 17.208 32.993 32.993 1027 1HG GLN 48 HG2 GLN 48 16.822 33.503 33.503 1028 2HG GLN 48 HG1 GLN 48 15.311 32.625 32.625 1029 1HE2 GLN 48 HE22 GLN 48 16.194 30.107 30.107 1030 2HE2 GLN 48 HE21 GLN 48 14.975 30.910 30.910 1031 H LEU 49 HN LEU 49 14.320 31.023 31.023 1032 HA LEU 49 HA LEU 49 13.334 33.726 33.726 1033 1HB LEU 49 HB2 LEU 49 15.531 32.459 32.459 1034 2HB LEU 49 HB1 LEU 49 14.192 32.947 32.947 1035 HG LEU 49 HG LEU 49 16.235 34.575 34.575 1036 1HD1 LEU 49 HD11 LEU 49 13.831 34.741 34.741 1037 2HD1 LEU 49 HD13 LEU 49 13.890 36.160 36.160 1038 3HD1 LEU 49 HD12 LEU 49 15.195 35.852 35.852 1039 1HD2 LEU 49 HD23 LEU 49 14.148 34.985 34.985 1040 2HD2 LEU 49 HD22 LEU 49 15.899 35.033 35.033 1041 3HD2 LEU 49 HD21 LEU 49 15.041 36.354 36.354 1042 H GLU 50 HN GLU 50 12.061 33.263 33.263 1043 HA GLU 50 HA GLU 50 10.016 32.226 32.226 1044 1HB GLU 50 HB2 GLU 50 11.541 29.676 29.676 1045 2HB GLU 50 HB1 GLU 50 10.229 29.871 29.871 1046 1HG GLU 50 HG2 GLU 50 12.305 31.761 31.761 1047 2HG GLU 50 HG1 GLU 50 13.017 30.154 30.154 1048 H LYS 51 HN LYS 51 10.751 32.780 32.780 1049 HA LYS 51 HA LYS 51 8.675 31.230 31.230 1050 1HB LYS 51 HB2 LYS 51 11.490 30.966 30.966 1051 2HB LYS 51 HB1 LYS 51 10.901 31.788 31.788 1052 1HG LYS 51 HG2 LYS 51 10.147 29.816 29.816 1053 2HG LYS 51 HG1 LYS 51 9.062 29.688 29.688 1054 1HD LYS 51 HD2 LYS 51 11.918 28.688 28.688 1055 2HD LYS 51 HD1 LYS 51 10.457 27.719 27.719 1056 1HE LYS 51 HE2 LYS 51 10.424 28.032 28.032 1057 2HE LYS 51 HE1 LYS 51 10.697 29.757 29.757 1058 1HZ LYS 51 HZ2 LYS 51 13.066 29.253 29.253 1059 2HZ LYS 51 HZ1 LYS 51 12.753 27.626 27.626 1060 3HZ LYS 51 HZ3 LYS 51 12.549 28.824 28.824 1061 H PHE 52 HN PHE 52 7.671 33.504 33.504 1062 HA PHE 52 HA PHE 52 7.548 35.266 35.266 1063 1HB PHE 52 HB2 PHE 52 9.225 37.065 37.065 1064 2HB PHE 52 HB1 PHE 52 9.923 35.665 35.665 1065 HD1 PHE 52 HD2 PHE 52 8.929 34.383 34.383 1066 HD2 PHE 52 HD1 PHE 52 11.873 37.062 37.062 1067 HE1 PHE 52 HE2 PHE 52 10.345 34.015 34.015 1068 HE2 PHE 52 HE1 PHE 52 13.230 36.701 36.701 1069 HZ PHE 52 HZ PHE 52 12.376 35.196 35.196 1070 H GLN 53 HN GLN 53 8.702 37.156 37.156 1071 HA GLN 53 HA GLN 53 6.650 38.647 38.647 1072 1HB GLN 53 HB2 GLN 53 8.490 37.232 37.232 1073 2HB GLN 53 HB1 GLN 53 7.607 38.721 38.721 1074 1HG GLN 53 HG2 GLN 53 9.086 39.979 39.979 1075 2HG GLN 53 HG1 GLN 53 9.156 38.828 38.828 1076 1HE2 GLN 53 HE22 GLN 53 11.514 37.518 37.518 1077 2HE2 GLN 53 HE21 GLN 53 9.847 37.713 37.713 1078 H SER 54 HN SER 54 4.539 37.927 37.927 1079 HA SER 54 HA SER 54 3.519 35.476 35.476 1080 1HB SER 54 HB2 SER 54 2.489 38.131 38.131 1081 2HB SER 54 HB1 SER 54 1.811 37.419 37.419 1082 HG SER 54 HG SER 54 0.524 36.770 36.770 1083 H ARG 55 HN ARG 55 4.995 37.841 37.841 1084 HA ARG 55 HA ARG 55 3.841 37.069 37.069 1085 1HB ARG 55 HB2 ARG 55 6.122 37.756 37.756 1086 2HB ARG 55 HB1 ARG 55 5.214 38.976 38.976 1087 1HG ARG 55 HG2 ARG 55 6.835 39.168 39.168 1088 2HG ARG 55 HG1 ARG 55 6.950 37.420 37.420 1089 1HD ARG 55 HD2 ARG 55 9.013 37.752 37.752 1090 2HD ARG 55 HD1 ARG 55 8.079 37.644 37.644 1091 HE ARG 55 HE ARG 55 7.958 40.332 40.332 1092 1HH1 ARG 55 HH21 ARG 55 10.553 40.227 40.227 1093 2HH1 ARG 55 HH22 ARG 55 11.677 40.389 40.389 1094 1HH2 ARG 55 HH11 ARG 55 9.355 39.574 39.574 1095 2HH2 ARG 55 HH12 ARG 55 10.998 40.016 40.016 1096 H LEU 56 HN LEU 56 6.758 35.631 35.631 1097 HA LEU 56 HA LEU 56 6.600 33.459 33.459 1098 1HB LEU 56 HB2 LEU 56 8.819 32.865 32.865 1099 2HB LEU 56 HB1 LEU 56 8.840 34.011 34.011 1100 HG LEU 56 HG LEU 56 8.506 35.857 35.857 1101 1HD1 LEU 56 HD12 LEU 56 7.262 34.497 34.497 1102 2HD1 LEU 56 HD11 LEU 56 8.759 33.702 33.702 1103 3HD1 LEU 56 HD13 LEU 56 8.573 35.430 35.430 1104 1HD2 LEU 56 HD21 LEU 56 10.794 33.981 33.981 1105 2HD2 LEU 56 HD23 LEU 56 10.773 35.190 35.190 1106 3HD2 LEU 56 HD22 LEU 56 10.739 35.697 35.697 1107 H SER 57 HN SER 57 7.809 31.503 31.503 1108 HA SER 57 HA SER 57 7.249 29.842 29.842 1109 1HB SER 57 HB2 SER 57 6.819 30.644 30.644 1110 2HB SER 57 HB1 SER 57 6.941 32.237 32.237 1111 HG SER 57 HG SER 57 4.604 30.670 30.670 1112 HA PRO 58 HA PRO 58 3.345 28.975 28.975 1113 1HB PRO 58 HB2 PRO 58 3.811 26.315 26.315 1114 2HB PRO 58 HB1 PRO 58 4.428 27.540 27.540 1115 1HG PRO 58 HG2 PRO 58 5.906 25.977 25.977 1116 2HG PRO 58 HG1 PRO 58 6.522 26.730 26.730 1117 1HD PRO 58 HD2 PRO 58 6.748 27.769 27.769 1118 2HD PRO 58 HD1 PRO 58 7.141 28.621 28.621 1119 H GLU 59 HN GLU 59 2.826 29.482 29.482 1120 HA GLU 59 HA GLU 59 0.813 28.024 28.024 1121 1HB GLU 59 HB2 GLU 59 2.070 26.010 26.010 1122 2HB GLU 59 HB1 GLU 59 3.455 26.866 26.866 1123 1HG GLU 59 HG2 GLU 59 2.535 26.978 26.978 1124 2HG GLU 59 HG1 GLU 59 0.895 27.173 27.173 1125 H GLU 60 HN GLU 60 3.737 28.617 28.617 1126 HA GLU 60 HA GLU 60 4.184 30.236 30.236 1127 1HB GLU 60 HB2 GLU 60 3.008 31.605 31.605 1128 2HB GLU 60 HB1 GLU 60 2.183 32.198 32.198 1129 1HG GLU 60 HG2 GLU 60 5.158 32.195 32.195 1130 2HG GLU 60 HG1 GLU 60 4.111 33.590 33.590 1131 HA PRO 61 HA PRO 61 0.605 28.967 28.967 1132 1HB PRO 61 HB2 PRO 61 2.136 28.271 28.271 1133 2HB PRO 61 HB1 PRO 61 1.810 27.177 27.177 1134 1HG PRO 61 HG2 PRO 61 4.316 28.654 28.654 1135 2HG PRO 61 HG1 PRO 61 4.109 27.139 27.139 1136 1HD PRO 61 HD2 PRO 61 4.587 29.684 29.684 1137 2HD PRO 61 HD1 PRO 61 4.049 28.232 28.232 1138 H ALA 62 HN ALA 62 -0.488 30.423 30.423 1139 HA ALA 62 HA ALA 62 0.724 31.999 31.999 1140 1HB ALA 62 HB3 ALA 62 0.870 33.092 33.092 1141 2HB ALA 62 HB2 ALA 62 0.040 34.174 34.174 1142 3HB ALA 62 HB1 ALA 62 1.681 33.630 33.630 1143 HA PRO 63 HA PRO 63 -3.702 32.125 32.125 1144 1HB PRO 63 HB2 PRO 63 -3.590 32.978 32.978 1145 2HB PRO 63 HB1 PRO 63 -3.317 31.296 31.296 1146 1HG PRO 63 HG2 PRO 63 -1.337 33.329 33.329 1147 2HG PRO 63 HG1 PRO 63 -1.241 31.563 31.563 1148 1HD PRO 63 HD2 PRO 63 0.033 33.244 33.244 1149 2HD PRO 63 HD1 PRO 63 -0.087 31.474 31.474 1150 H GLU 64 HN GLU 64 -5.026 33.999 33.999 1151 HA GLU 64 HA GLU 64 -4.508 36.468 36.468 1152 1HB GLU 64 HB2 GLU 64 -6.649 37.226 37.226 1153 2HB GLU 64 HB1 GLU 64 -6.830 35.566 35.566 1154 1HG GLU 64 HG2 GLU 64 -7.234 34.767 34.767 1155 2HG GLU 64 HG1 GLU 64 -5.975 35.767 35.767 1156 H THR 65 HN THR 65 -2.398 36.072 36.072 1157 HA THR 65 HA THR 65 -2.857 38.130 38.130 1158 HB THR 65 HB THR 65 -2.606 35.834 35.834 1159 HG1 THR 65 HG1 THR 65 -1.877 37.210 37.210 1160 1HG2 THR 65 HG21 THR 65 -0.981 35.192 35.192 1161 2HG2 THR 65 HG23 THR 65 0.259 35.922 35.922 1162 3HG2 THR 65 HG22 THR 65 -0.671 34.545 34.545 1163 HA PRO 66 HA PRO 66 0.545 40.136 40.136 1164 1HB PRO 66 HB2 PRO 66 1.128 41.903 41.903 1165 2HB PRO 66 HB1 PRO 66 -0.256 42.085 42.085 1166 1HG PRO 66 HG2 PRO 66 -0.218 41.215 41.215 1167 2HG PRO 66 HG1 PRO 66 -1.515 42.000 42.000 1168 1HD PRO 66 HD2 PRO 66 -1.365 39.244 39.244 1169 2HD PRO 66 HD1 PRO 66 -2.462 39.986 39.986 1170 H GLU 67 HN GLU 67 2.791 41.154 41.154 1171 HA GLU 67 HA GLU 67 4.815 40.621 40.621 1172 1HB GLU 67 HB2 GLU 67 3.096 39.401 39.401 1173 2HB GLU 67 HB1 GLU 67 3.811 37.961 37.961 1174 1HG GLU 67 HG2 GLU 67 6.031 39.505 39.505 1175 2HG GLU 67 HG1 GLU 67 5.005 39.907 39.907 1176 H ALA 68 HN ALA 68 6.149 40.243 40.243 1177 HA ALA 68 HA ALA 68 6.986 37.637 37.637 1178 1HB ALA 68 HB2 ALA 68 5.031 38.858 38.858 1179 2HB ALA 68 HB1 ALA 68 6.029 37.437 37.437 1180 3HB ALA 68 HB3 ALA 68 4.778 37.381 37.381 1181 HA PRO 69 HA PRO 69 9.646 41.072 41.072 1182 1HB PRO 69 HB2 PRO 69 11.923 40.028 40.028 1183 2HB PRO 69 HB1 PRO 69 10.783 41.067 41.067 1184 1HG PRO 69 HG2 PRO 69 11.188 38.122 38.122 1185 2HG PRO 69 HG1 PRO 69 10.574 39.265 39.265 1186 1HD PRO 69 HD2 PRO 69 9.007 37.500 37.500 1187 2HD PRO 69 HD1 PRO 69 8.399 38.863 38.863 1188 H GLU 70 HN GLU 70 9.508 40.355 40.355 1189 HA GLU 70 HA GLU 70 11.267 38.067 38.067 1190 1HB GLU 70 HB2 GLU 70 9.187 39.547 39.547 1191 2HB GLU 70 HB1 GLU 70 10.080 38.114 38.114 1192 1HG GLU 70 HG2 GLU 70 8.081 38.314 38.314 1193 2HG GLU 70 HG1 GLU 70 7.930 37.365 37.365 1194 H ALA 71 HN ALA 71 12.957 39.911 39.911 1195 HA ALA 71 HA ALA 71 13.453 42.148 42.148 1196 1HB ALA 71 HB2 ALA 71 14.866 40.730 40.730 1197 2HB ALA 71 HB1 ALA 71 15.912 40.671 40.671 1198 3HB ALA 71 HB3 ALA 71 15.384 42.227 42.227 1199 HA PRO 72 HA PRO 72 14.330 40.453 40.453 1200 1HB PRO 72 HB2 PRO 72 15.511 42.687 42.687 1201 2HB PRO 72 HB1 PRO 72 13.763 42.524 42.524 1202 1HG PRO 72 HG2 PRO 72 15.724 44.148 44.148 1203 2HG PRO 72 HG1 PRO 72 13.984 44.396 44.396 1204 1HD PRO 72 HD2 PRO 72 15.241 43.293 43.293 1205 2HD PRO 72 HD1 PRO 72 13.500 43.273 43.273 1206 H GLY 73 HN GLY 73 16.020 39.146 39.146 1207 1HA GLY 73 HA2 GLY 73 18.615 39.371 39.371 1208 2HA GLY 73 HA1 GLY 73 18.186 38.214 38.214 1209 H GLY 74 HN GLY 74 19.795 41.169 41.169 1210 1HA GLY 74 HA2 GLY 74 19.757 42.412 42.412 1211 2HA GLY 74 HA1 GLY 74 21.053 42.594 42.594 1212 H SER 75 HN SER 75 22.388 42.572 42.572 1213 HA SER 75 HA SER 75 22.662 40.011 40.011 1214 1HB SER 75 HB2 SER 75 24.084 42.659 42.659 1215 2HB SER 75 HB1 SER 75 24.789 41.248 41.248 1216 HG SER 75 HG SER 75 22.762 41.010 41.010 1217 H ALA 76 HN ALA 76 24.567 38.659 38.659 1218 HA ALA 76 HA ALA 76 26.417 39.148 39.148 1219 1HB ALA 76 HB1 ALA 76 24.305 37.097 37.097 1220 2HB ALA 76 HB3 ALA 76 25.908 36.463 36.463 1221 3HB ALA 76 HB2 ALA 76 25.209 37.739 37.739 1222 H VAL 77 HN VAL 77 28.461 38.386 38.386 1223 HA VAL 77 HA VAL 77 28.785 36.875 36.875 1224 HB VAL 77 HB VAL 77 29.840 39.099 39.099 1225 1HG1 VAL 77 HG12 VAL 77 30.398 38.438 38.438 1226 2HG1 VAL 77 HG11 VAL 77 31.962 38.556 38.556 1227 3HG1 VAL 77 HG13 VAL 77 30.843 39.919 39.919 1228 1HG2 VAL 77 HG23 VAL 77 31.282 36.567 36.567 1229 2HG2 VAL 77 HG22 VAL 77 31.297 37.981 37.981 1230 3HG2 VAL 77 HG21 VAL 77 32.361 37.917 37.917 Start of MODEL 9 1 1H ACE 0 HA1 ACE 0 -4.670 -4.446 -4.446 2 2H ACE 0 HA2 ACE 0 -4.486 -5.683 -5.683 3 3H ACE 0 HA3 ACE 0 -3.235 -4.460 -4.460 4 H MET 1 HN MET 1 -6.773 -4.012 -4.012 5 HA MET 1 HA MET 1 -6.322 -2.115 -2.115 6 1HB MET 1 HB2 MET 1 -8.493 -2.311 -2.311 7 2HB MET 1 HB1 MET 1 -8.666 -1.309 -1.309 8 1HG MET 1 HG2 MET 1 -7.130 0.225 0.225 9 2HG MET 1 HG1 MET 1 -6.115 -0.998 -0.998 10 1HE MET 1 HE3 MET 1 -5.642 -0.874 -0.874 11 2HE MET 1 HE2 MET 1 -6.797 -2.183 -2.183 12 3HE MET 1 HE1 MET 1 -6.769 -0.832 -0.832 13 H ASP 2 HN ASP 2 -6.636 -3.168 -3.168 14 HA ASP 2 HA ASP 2 -9.256 -4.308 -4.308 15 1HB ASP 2 HB2 ASP 2 -7.201 -6.061 -6.061 16 2HB ASP 2 HB1 ASP 2 -7.413 -6.348 -6.348 17 H LEU 3 HN LEU 3 -5.894 -4.580 -4.580 18 HA LEU 3 HA LEU 3 -6.729 -4.185 -4.185 19 1HB LEU 3 HB2 LEU 3 -4.631 -5.379 -5.379 20 2HB LEU 3 HB1 LEU 3 -3.974 -3.854 -3.854 21 HG LEU 3 HG LEU 3 -5.051 -3.604 -3.604 22 1HD1 LEU 3 HD11 LEU 3 -4.271 -6.009 -6.009 23 2HD1 LEU 3 HD13 LEU 3 -2.653 -5.415 -5.415 24 3HD1 LEU 3 HD12 LEU 3 -3.425 -4.973 -4.973 25 1HD2 LEU 3 HD21 LEU 3 -2.794 -2.722 -2.722 26 2HD2 LEU 3 HD23 LEU 3 -3.588 -1.900 -1.900 27 3HD2 LEU 3 HD22 LEU 3 -2.319 -3.083 -3.083 28 H VAL 4 HN VAL 4 -4.905 -2.138 -2.138 29 HA VAL 4 HA VAL 4 -5.061 0.225 0.225 30 HB VAL 4 HB VAL 4 -4.629 -0.030 -0.030 31 1HG1 VAL 4 HG12 VAL 4 -4.255 2.229 2.229 32 2HG1 VAL 4 HG11 VAL 4 -3.381 2.179 2.179 33 3HG1 VAL 4 HG13 VAL 4 -5.144 2.244 2.244 34 1HG2 VAL 4 HG21 VAL 4 -3.036 -1.255 -1.255 35 2HG2 VAL 4 HG23 VAL 4 -2.307 -0.161 -0.161 36 3HG2 VAL 4 HG22 VAL 4 -2.518 0.354 0.354 37 H LYS 5 HN LYS 5 -6.957 -1.052 -1.052 38 HA LYS 5 HA LYS 5 -8.657 1.046 1.046 39 1HB LYS 5 HB2 LYS 5 -8.623 -1.483 -1.483 40 2HB LYS 5 HB1 LYS 5 -9.902 -1.633 -1.633 41 1HG LYS 5 HG2 LYS 5 -10.151 0.714 0.714 42 2HG LYS 5 HG1 LYS 5 -10.328 -0.846 -0.846 43 1HD LYS 5 HD2 LYS 5 -12.302 -1.292 -1.292 44 2HD LYS 5 HD1 LYS 5 -11.745 -0.654 -0.654 45 1HE LYS 5 HE2 LYS 5 -13.631 0.643 0.643 46 2HE LYS 5 HE1 LYS 5 -12.248 1.581 1.581 47 1HZ LYS 5 HZ2 LYS 5 -12.227 0.468 0.468 48 2HZ LYS 5 HZ1 LYS 5 -13.116 1.882 1.882 49 3HZ LYS 5 HZ3 LYS 5 -11.446 1.851 1.851 50 H ASN 6 HN ASN 6 -8.512 -0.770 -0.770 51 HA ASN 6 HA ASN 6 -11.095 -0.289 -0.289 52 1HB ASN 6 HB2 ASN 6 -8.501 -1.162 -1.162 53 2HB ASN 6 HB1 ASN 6 -9.285 -0.121 -0.121 54 1HD2 ASN 6 HD22 ASN 6 -10.658 -3.880 -3.880 55 2HD2 ASN 6 HD21 ASN 6 -9.245 -3.320 -3.320 56 H HIS 7 HN HIS 7 -8.300 1.263 1.263 57 HA HIS 7 HA HIS 7 -9.849 3.657 3.657 58 1HB HIS 7 HB2 HIS 7 -7.860 4.281 4.281 59 2HB HIS 7 HB1 HIS 7 -8.169 2.569 2.569 60 HD1 HIS 7 HD1 HIS 7 -5.523 2.461 2.461 61 HD2 HIS 7 HD2 HIS 7 -6.508 3.226 3.226 62 HE1 HIS 7 HE1 HIS 7 -3.443 2.002 2.002 63 H LEU 8 HN LEU 8 -8.540 2.904 2.904 64 HA LEU 8 HA LEU 8 -6.793 5.140 5.140 65 1HB LEU 8 HB2 LEU 8 -6.712 4.585 4.585 66 2HB LEU 8 HB1 LEU 8 -7.171 3.044 3.044 67 HG LEU 8 HG LEU 8 -9.567 3.753 3.753 68 1HD1 LEU 8 HD13 LEU 8 -8.119 6.061 6.061 69 2HD1 LEU 8 HD12 LEU 8 -9.224 5.433 5.433 70 3HD1 LEU 8 HD11 LEU 8 -9.833 5.917 5.917 71 1HD2 LEU 8 HD21 LEU 8 -7.748 2.500 2.500 72 2HD2 LEU 8 HD23 LEU 8 -9.506 2.454 2.454 73 3HD2 LEU 8 HD22 LEU 8 -8.583 3.667 3.667 74 H MET 9 HN MET 9 -10.172 5.089 5.089 75 HA MET 9 HA MET 9 -10.722 7.423 7.423 76 1HB MET 9 HB2 MET 9 -12.724 7.706 7.706 77 2HB MET 9 HB1 MET 9 -12.661 6.158 6.158 78 1HG MET 9 HG2 MET 9 -11.136 5.842 5.842 79 2HG MET 9 HG1 MET 9 -12.619 6.671 6.671 80 1HE MET 9 HE3 MET 9 -14.824 6.032 6.032 81 2HE MET 9 HE2 MET 9 -14.873 5.584 5.584 82 3HE MET 9 HE1 MET 9 -15.469 4.460 4.460 83 H TYR 10 HN TYR 10 -9.321 6.730 6.730 84 HA TYR 10 HA TYR 10 -9.342 9.176 9.176 85 1HB TYR 10 HB2 TYR 10 -7.567 8.231 8.231 86 2HB TYR 10 HB1 TYR 10 -8.350 6.797 6.797 87 HD1 TYR 10 HD2 TYR 10 -7.403 6.946 6.946 88 HD2 TYR 10 HD1 TYR 10 -5.267 7.552 7.552 89 HE1 TYR 10 HE2 TYR 10 -5.315 6.345 6.345 90 HE2 TYR 10 HE1 TYR 10 -3.168 6.944 6.944 91 HH TYR 10 HH TYR 10 -2.757 5.335 5.335 92 H ALA 11 HN ALA 11 -7.908 8.330 8.330 93 HA ALA 11 HA ALA 11 -6.574 10.917 10.917 94 1HB ALA 11 HB2 ALA 11 -5.310 9.007 9.007 95 2HB ALA 11 HB1 ALA 11 -4.648 8.681 8.681 96 3HB ALA 11 HB3 ALA 11 -4.468 10.283 10.283 97 H VAL 12 HN VAL 12 -6.444 7.524 7.524 98 HA VAL 12 HA VAL 12 -6.497 6.567 6.567 99 HB VAL 12 HB VAL 12 -8.097 8.711 8.711 100 1HG1 VAL 12 HG11 VAL 12 -5.654 9.799 9.799 101 2HG1 VAL 12 HG13 VAL 12 -6.341 9.263 9.263 102 3HG1 VAL 12 HG12 VAL 12 -7.232 10.386 10.386 103 1HG2 VAL 12 HG22 VAL 12 -7.308 6.381 6.381 104 2HG2 VAL 12 HG21 VAL 12 -8.806 7.292 7.292 105 3HG2 VAL 12 HG23 VAL 12 -7.411 7.683 7.683 106 H ARG 13 HN ARG 13 -4.241 7.635 7.635 107 HA ARG 13 HA ARG 13 -2.383 8.401 8.401 108 1HB ARG 13 HB2 ARG 13 -1.785 9.901 9.901 109 2HB ARG 13 HB1 ARG 13 -2.655 9.033 9.033 110 1HG ARG 13 HG2 ARG 13 -0.696 7.404 7.404 111 2HG ARG 13 HG1 ARG 13 0.172 8.550 8.550 112 1HD ARG 13 HD2 ARG 13 -1.146 9.805 9.805 113 2HD ARG 13 HD1 ARG 13 0.082 8.623 8.623 114 HE ARG 13 HE ARG 13 1.747 9.992 9.992 115 1HH1 ARG 13 HH11 ARG 13 1.301 11.285 11.285 116 2HH1 ARG 13 HH12 ARG 13 0.575 12.818 12.818 117 1HH2 ARG 13 HH21 ARG 13 -0.395 11.940 11.940 118 2HH2 ARG 13 HH22 ARG 13 -0.388 13.188 13.188 119 H GLU 14 HN GLU 14 -2.516 6.132 6.132 120 HA GLU 14 HA GLU 14 -1.670 3.869 3.869 121 1HB GLU 14 HB2 GLU 14 0.444 5.771 5.771 122 2HB GLU 14 HB1 GLU 14 0.796 4.272 4.272 123 1HG GLU 14 HG2 GLU 14 0.787 2.991 2.991 124 2HG GLU 14 HG1 GLU 14 -0.171 4.179 4.179 125 H GLU 15 HN GLU 15 0.059 4.870 4.870 126 HA GLU 15 HA GLU 15 -1.559 2.847 2.847 127 1HB GLU 15 HB2 GLU 15 1.303 3.604 3.604 128 2HB GLU 15 HB1 GLU 15 0.403 2.203 2.203 129 1HG GLU 15 HG2 GLU 15 0.849 1.006 1.006 130 2HG GLU 15 HG1 GLU 15 0.509 2.374 2.374 131 H VAL 16 HN VAL 16 -0.797 3.326 3.326 132 HA VAL 16 HA VAL 16 -2.286 5.621 5.621 133 HB VAL 16 HB VAL 16 -1.928 3.786 3.786 134 1HG1 VAL 16 HG12 VAL 16 0.471 3.422 3.422 135 2HG1 VAL 16 HG11 VAL 16 0.959 4.606 4.606 136 3HG1 VAL 16 HG13 VAL 16 0.191 3.100 3.100 137 1HG2 VAL 16 HG21 VAL 16 -1.930 6.367 6.367 138 2HG2 VAL 16 HG23 VAL 16 -1.714 5.091 5.091 139 3HG2 VAL 16 HG22 VAL 16 -0.315 5.947 5.947 140 H GLU 17 HN GLU 17 -1.498 7.430 7.430 141 HA GLU 17 HA GLU 17 1.242 8.235 8.235 142 1HB GLU 17 HB2 GLU 17 -0.518 9.062 9.062 143 2HB GLU 17 HB1 GLU 17 -1.246 9.951 9.951 144 1HG GLU 17 HG2 GLU 17 1.610 10.486 10.486 145 2HG GLU 17 HG1 GLU 17 0.763 10.888 10.888 146 H ILE 18 HN ILE 18 -1.380 9.042 9.042 147 HA ILE 18 HA ILE 18 0.090 11.093 11.093 148 HB ILE 18 HB ILE 18 -1.540 10.782 10.782 149 1HG1 ILE 18 HG12 ILE 18 -2.306 8.338 8.338 150 2HG1 ILE 18 HG11 ILE 18 -1.745 8.378 8.378 151 1HG2 ILE 18 HG22 ILE 18 -2.133 11.298 11.298 152 2HG2 ILE 18 HG21 ILE 18 -3.534 10.574 10.574 153 3HG2 ILE 18 HG23 ILE 18 -2.826 12.052 12.052 154 1HD1 ILE 18 HD12 ILE 18 -3.806 9.929 9.929 155 2HD1 ILE 18 HD11 ILE 18 -4.398 9.249 9.249 156 3HD1 ILE 18 HD13 ILE 18 -4.067 8.191 8.191 157 H LEU 19 HN LEU 19 -0.389 7.640 7.640 158 HA LEU 19 HA LEU 19 1.460 7.808 7.808 159 1HB LEU 19 HB2 LEU 19 -0.406 5.965 5.965 160 2HB LEU 19 HB1 LEU 19 1.073 5.154 5.154 161 HG LEU 19 HG LEU 19 1.792 6.165 6.165 162 1HD1 LEU 19 HD11 LEU 19 -0.935 6.441 6.441 163 2HD1 LEU 19 HD13 LEU 19 -0.745 4.832 4.832 164 3HD1 LEU 19 HD12 LEU 19 0.045 6.219 6.219 165 1HD2 LEU 19 HD21 LEU 19 1.155 3.581 3.581 166 2HD2 LEU 19 HD23 LEU 19 2.454 4.006 4.006 167 3HD2 LEU 19 HD22 LEU 19 0.855 3.596 3.596 168 H LYS 20 HN LYS 20 1.843 7.429 7.429 169 HA LYS 20 HA LYS 20 4.454 6.149 6.149 170 1HB LYS 20 HB2 LYS 20 2.746 7.422 7.422 171 2HB LYS 20 HB1 LYS 20 4.482 7.392 7.392 172 1HG LYS 20 HG2 LYS 20 3.710 4.837 4.837 173 2HG LYS 20 HG1 LYS 20 2.616 5.256 5.256 174 1HD LYS 20 HD2 LYS 20 4.293 4.429 4.429 175 2HD LYS 20 HD1 LYS 20 4.996 6.029 6.029 176 1HE LYS 20 HE2 LYS 20 5.830 4.750 4.750 177 2HE LYS 20 HE1 LYS 20 5.831 3.420 3.420 178 1HZ LYS 20 HZ3 LYS 20 6.931 5.846 5.846 179 2HZ LYS 20 HZ2 LYS 20 7.794 5.270 5.270 180 3HZ LYS 20 HZ1 LYS 20 7.567 4.273 4.273 181 H GLU 21 HN GLU 21 3.253 9.471 9.471 182 HA GLU 21 HA GLU 21 5.965 10.577 10.577 183 1HB GLU 21 HB2 GLU 21 4.958 12.686 12.686 184 2HB GLU 21 HB1 GLU 21 3.886 11.593 11.593 185 1HG GLU 21 HG2 GLU 21 2.314 11.559 11.559 186 2HG GLU 21 HG1 GLU 21 3.426 12.457 12.457 187 H GLN 22 HN GLN 22 3.620 9.520 9.520 188 HA GLN 22 HA GLN 22 4.494 11.265 11.265 189 1HB GLN 22 HB2 GLN 22 2.223 9.826 9.826 190 2HB GLN 22 HB1 GLN 22 3.136 8.691 8.691 191 1HG GLN 22 HG2 GLN 22 2.206 9.922 9.922 192 2HG GLN 22 HG1 GLN 22 3.607 10.947 10.947 193 1HE2 GLN 22 HE22 GLN 22 1.660 13.673 13.673 194 2HE2 GLN 22 HE21 GLN 22 3.189 13.089 13.089 195 H ILE 23 HN ILE 23 5.135 8.013 8.013 196 HA ILE 23 HA ILE 23 6.913 7.317 7.317 197 HB ILE 23 HB ILE 23 6.418 6.095 6.095 198 1HG1 ILE 23 HG12 ILE 23 5.745 5.304 5.304 199 2HG1 ILE 23 HG11 ILE 23 4.612 5.733 5.733 200 1HG2 ILE 23 HG22 ILE 23 8.709 5.815 5.815 201 2HG2 ILE 23 HG21 ILE 23 7.798 4.304 4.304 202 3HG2 ILE 23 HG23 ILE 23 8.358 4.974 4.974 203 1HD1 ILE 23 HD12 ILE 23 6.319 3.623 3.623 204 2HD1 ILE 23 HD11 ILE 23 5.635 3.156 3.156 205 3HD1 ILE 23 HD13 ILE 23 4.570 3.602 3.602 206 H ARG 24 HN ARG 24 7.151 8.789 8.789 207 HA ARG 24 HA ARG 24 10.059 8.722 8.722 208 1HB ARG 24 HB2 ARG 24 8.072 9.245 9.245 209 2HB ARG 24 HB1 ARG 24 8.694 10.861 10.861 210 1HG ARG 24 HG2 ARG 24 10.913 10.248 10.248 211 2HG ARG 24 HG1 ARG 24 10.514 8.529 8.529 212 1HD ARG 24 HD2 ARG 24 10.161 8.760 8.760 213 2HD ARG 24 HD1 ARG 24 8.674 9.596 9.596 214 HE ARG 24 HE ARG 24 11.184 11.173 11.173 215 1HH1 ARG 24 HH11 ARG 24 8.893 9.962 9.962 216 2HH1 ARG 24 HH12 ARG 24 8.302 11.492 11.492 217 1HH2 ARG 24 HH21 ARG 24 10.043 13.325 13.325 218 2HH2 ARG 24 HH22 ARG 24 8.953 13.397 13.397 219 H GLU 25 HN GLU 25 7.569 10.895 10.895 220 HA GLU 25 HA GLU 25 9.450 13.053 13.053 221 1HB GLU 25 HB2 GLU 25 6.538 12.630 12.630 222 2HB GLU 25 HB1 GLU 25 7.192 13.563 13.563 223 1HG GLU 25 HG2 GLU 25 6.956 15.303 15.303 224 2HG GLU 25 HG1 GLU 25 8.517 14.728 14.728 225 H LEU 26 HN LEU 26 8.247 10.178 10.178 226 HA LEU 26 HA LEU 26 8.952 10.980 10.980 227 1HB LEU 26 HB2 LEU 26 7.537 8.814 8.814 228 2HB LEU 26 HB1 LEU 26 8.861 8.131 8.131 229 HG LEU 26 HG LEU 26 8.133 9.523 9.523 230 1HD1 LEU 26 HD13 LEU 26 6.746 10.959 10.959 231 2HD1 LEU 26 HD12 LEU 26 5.466 9.988 9.988 232 3HD1 LEU 26 HD11 LEU 26 6.451 11.043 11.043 233 1HD2 LEU 26 HD22 LEU 26 6.601 7.335 7.335 234 2HD2 LEU 26 HD21 LEU 26 7.213 7.478 7.478 235 3HD2 LEU 26 HD23 LEU 26 5.694 8.254 8.254 236 H VAL 27 HN VAL 27 10.362 9.246 9.246 237 HA VAL 27 HA VAL 27 12.747 8.428 8.428 238 HB VAL 27 HB VAL 27 12.042 8.437 8.437 239 1HG1 VAL 27 HG12 VAL 27 14.605 7.958 7.958 240 2HG1 VAL 27 HG11 VAL 27 14.167 6.769 6.769 241 3HG1 VAL 27 HG13 VAL 27 14.316 8.471 8.471 242 1HG2 VAL 27 HG23 VAL 27 10.993 6.812 6.812 243 2HG2 VAL 27 HG22 VAL 27 11.625 6.142 6.142 244 3HG2 VAL 27 HG21 VAL 27 12.579 6.040 6.040 245 H GLU 28 HN GLU 28 11.663 11.113 11.113 246 HA GLU 28 HA GLU 28 14.329 12.267 12.267 247 1HB GLU 28 HB2 GLU 28 11.660 12.797 12.797 248 2HB GLU 28 HB1 GLU 28 12.340 14.274 14.274 249 1HG GLU 28 HG2 GLU 28 13.835 14.492 14.492 250 2HG GLU 28 HG1 GLU 28 14.274 12.784 12.784 251 H LYS 29 HN LYS 29 11.624 12.536 12.536 252 HA LYS 29 HA LYS 29 12.787 14.783 14.783 253 1HB LYS 29 HB2 LYS 29 10.261 14.141 14.141 254 2HB LYS 29 HB1 LYS 29 10.624 12.970 12.970 255 1HG LYS 29 HG2 LYS 29 11.435 14.740 14.740 256 2HG LYS 29 HG1 LYS 29 11.219 15.937 15.937 257 1HD LYS 29 HD2 LYS 29 8.743 15.146 15.146 258 2HD LYS 29 HD1 LYS 29 9.109 14.449 14.449 259 1HE LYS 29 HE2 LYS 29 10.189 16.953 16.953 260 2HE LYS 29 HE1 LYS 29 8.794 17.276 17.276 261 1HZ LYS 29 HZ2 LYS 29 7.651 15.698 15.698 262 2HZ LYS 29 HZ1 LYS 29 8.891 16.295 16.295 263 3HZ LYS 29 HZ3 LYS 29 7.799 17.369 17.369 264 H ASN 30 HN ASN 30 12.895 11.323 11.323 265 HA ASN 30 HA ASN 30 13.928 11.079 11.079 266 1HB ASN 30 HB2 ASN 30 13.237 9.292 9.292 267 2HB ASN 30 HB1 ASN 30 14.728 8.810 8.810 268 1HD2 ASN 30 HD22 ASN 30 12.209 7.157 7.157 269 2HD2 ASN 30 HD21 ASN 30 13.046 6.943 6.943 270 H SER 31 HN SER 31 15.269 11.153 11.153 271 HA SER 31 HA SER 31 18.016 10.842 10.842 272 1HB SER 31 HB2 SER 31 16.634 11.398 11.398 273 2HB SER 31 HB1 SER 31 18.301 11.953 11.953 274 HG SER 31 HG SER 31 17.445 9.512 9.512 275 H GLN 32 HN GLN 32 15.818 13.515 13.515 276 HA GLN 32 HA GLN 32 17.850 15.584 15.584 277 1HB GLN 32 HB2 GLN 32 14.839 15.589 15.589 278 2HB GLN 32 HB1 GLN 32 15.802 17.057 17.057 279 1HG GLN 32 HG2 GLN 32 16.346 15.401 15.401 280 2HG GLN 32 HG1 GLN 32 14.802 16.256 16.256 281 1HE2 GLN 32 HE22 GLN 32 16.469 19.517 19.517 282 2HE2 GLN 32 HE21 GLN 32 15.200 18.684 18.684 283 H LEU 33 HN LEU 33 15.643 14.085 14.085 284 HA LEU 33 HA LEU 33 16.609 15.757 15.757 285 1HB LEU 33 HB2 LEU 33 14.349 14.142 14.142 286 2HB LEU 33 HB1 LEU 33 15.264 13.323 13.323 287 HG LEU 33 HG LEU 33 15.490 15.732 15.732 288 1HD1 LEU 33 HD12 LEU 33 13.950 16.283 16.283 289 2HD1 LEU 33 HD11 LEU 33 12.821 16.377 16.377 290 3HD1 LEU 33 HD13 LEU 33 14.273 17.377 17.377 291 1HD2 LEU 33 HD21 LEU 33 12.935 14.098 14.098 292 2HD2 LEU 33 HD23 LEU 33 14.293 13.961 13.961 293 3HD2 LEU 33 HD22 LEU 33 13.274 15.400 15.400 294 H GLU 34 HN GLU 34 17.556 12.863 12.863 295 HA GLU 34 HA GLU 34 19.019 11.746 11.746 296 1HB GLU 34 HB2 GLU 34 18.144 10.360 10.360 297 2HB GLU 34 HB1 GLU 34 19.352 11.131 11.131 298 1HG GLU 34 HG2 GLU 34 21.141 10.117 10.117 299 2HG GLU 34 HG1 GLU 34 20.193 9.824 9.824 300 H ARG 35 HN ARG 35 19.652 13.784 13.784 301 HA ARG 35 HA ARG 35 22.529 13.939 13.939 302 1HB ARG 35 HB2 ARG 35 20.811 15.745 15.745 303 2HB ARG 35 HB1 ARG 35 22.562 15.540 15.540 304 1HG ARG 35 HG2 ARG 35 21.023 13.031 13.031 305 2HG ARG 35 HG1 ARG 35 20.772 14.162 14.162 306 1HD ARG 35 HD2 ARG 35 22.652 12.690 12.690 307 2HD ARG 35 HD1 ARG 35 23.238 14.336 14.336 308 HE ARG 35 HE ARG 35 23.315 12.695 12.695 309 1HH1 ARG 35 HH21 ARG 35 24.851 12.369 12.369 310 2HH1 ARG 35 HH22 ARG 35 26.459 12.606 12.606 311 1HH2 ARG 35 HH11 ARG 35 25.418 13.576 13.576 312 2HH2 ARG 35 HH12 ARG 35 26.780 13.287 13.287 313 H GLU 36 HN GLU 36 19.618 15.763 15.763 314 HA GLU 36 HA GLU 36 21.021 18.069 18.069 315 1HB GLU 36 HB2 GLU 36 18.303 17.314 17.314 316 2HB GLU 36 HB1 GLU 36 18.433 17.770 17.770 317 1HG GLU 36 HG2 GLU 36 18.698 19.952 19.952 318 2HG GLU 36 HG1 GLU 36 19.922 19.588 19.588 319 H ASN 37 HN ASN 37 19.829 14.998 14.998 320 HA ASN 37 HA ASN 37 20.319 15.648 15.648 321 1HB ASN 37 HB2 ASN 37 18.614 14.012 14.012 322 2HB ASN 37 HB1 ASN 37 19.661 13.081 13.081 323 1HD2 ASN 37 HD22 ASN 37 21.281 11.359 11.359 324 2HD2 ASN 37 HD21 ASN 37 21.231 11.659 11.659 325 H THR 38 HN THR 38 22.039 14.187 14.187 326 HA THR 38 HA THR 38 24.204 13.143 13.143 327 HB THR 38 HB THR 38 23.890 13.576 13.576 328 HG1 THR 38 HG1 THR 38 24.228 11.208 11.208 329 1HG2 THR 38 HG23 THR 38 26.257 13.899 13.899 330 2HG2 THR 38 HG22 THR 38 26.226 12.324 12.324 331 3HG2 THR 38 HG21 THR 38 26.036 12.435 12.435 332 H LEU 39 HN LEU 39 23.399 16.106 16.106 333 HA LEU 39 HA LEU 39 26.084 17.243 17.243 334 1HB LEU 39 HB2 LEU 39 23.800 17.829 17.829 335 2HB LEU 39 HB1 LEU 39 23.899 19.156 19.156 336 HG LEU 39 HG LEU 39 26.187 19.636 19.636 337 1HD1 LEU 39 HD13 LEU 39 26.067 16.933 16.933 338 2HD1 LEU 39 HD12 LEU 39 26.500 17.989 17.989 339 3HD1 LEU 39 HD11 LEU 39 27.475 17.989 17.989 340 1HD2 LEU 39 HD23 LEU 39 23.925 19.828 19.828 341 2HD2 LEU 39 HD22 LEU 39 25.359 20.855 20.855 342 3HD2 LEU 39 HD21 LEU 39 25.312 19.422 19.422 343 H LEU 40 HN LEU 40 23.040 17.417 17.417 344 HA LEU 40 HA LEU 40 24.118 19.431 19.431 345 1HB LEU 40 HB2 LEU 40 21.937 19.774 19.774 346 2HB LEU 40 HB1 LEU 40 21.536 18.482 18.482 347 HG LEU 40 HG LEU 40 22.180 18.047 18.047 348 1HD1 LEU 40 HD11 LEU 40 19.508 18.151 18.151 349 2HD1 LEU 40 HD13 LEU 40 19.742 17.710 17.710 350 3HD1 LEU 40 HD12 LEU 40 20.103 19.347 19.347 351 1HD2 LEU 40 HD21 LEU 40 22.078 16.305 16.305 352 2HD2 LEU 40 HD23 LEU 40 22.136 15.851 15.851 353 3HD2 LEU 40 HD22 LEU 40 20.580 16.034 16.034 354 H LYS 41 HN LYS 41 23.925 15.963 15.963 355 HA LYS 41 HA LYS 41 24.565 15.506 15.506 356 1HB LYS 41 HB2 LYS 41 23.379 13.788 13.788 357 2HB LYS 41 HB1 LYS 41 24.772 13.655 13.655 358 1HG LYS 41 HG2 LYS 41 25.751 13.381 13.381 359 2HG LYS 41 HG1 LYS 41 24.327 12.350 12.350 360 1HD LYS 41 HD2 LYS 41 25.486 10.853 10.853 361 2HD LYS 41 HD1 LYS 41 25.872 12.089 12.089 362 1HE LYS 41 HE2 LYS 41 27.645 12.853 12.853 363 2HE LYS 41 HE1 LYS 41 27.464 11.200 11.200 364 1HZ LYS 41 HZ1 LYS 41 27.769 10.589 10.589 365 2HZ LYS 41 HZ3 LYS 41 28.441 12.140 12.140 366 3HZ LYS 41 HZ2 LYS 41 29.137 11.011 11.011 367 H THR 42 HN THR 42 26.290 15.922 15.922 368 HA THR 42 HA THR 42 28.877 15.151 15.151 369 HB THR 42 HB THR 42 29.737 16.157 16.157 370 HG1 THR 42 HG1 THR 42 27.766 17.485 17.485 371 1HG2 THR 42 HG23 THR 42 27.853 13.864 13.864 372 2HG2 THR 42 HG22 THR 42 28.314 14.338 14.338 373 3HG2 THR 42 HG21 THR 42 29.553 13.871 13.871 374 H LEU 43 HN LEU 43 27.104 18.137 18.137 375 HA LEU 43 HA LEU 43 29.268 19.923 19.923 376 1HB LEU 43 HB2 LEU 43 26.772 20.276 20.276 377 2HB LEU 43 HB1 LEU 43 26.518 20.839 20.839 378 HG LEU 43 HG LEU 43 28.793 22.114 22.114 379 1HD1 LEU 43 HD12 LEU 43 27.926 21.212 21.212 380 2HD1 LEU 43 HD11 LEU 43 28.452 22.891 22.891 381 3HD1 LEU 43 HD13 LEU 43 29.543 21.586 21.586 382 1HD2 LEU 43 HD23 LEU 43 26.409 23.022 23.022 383 2HD2 LEU 43 HD22 LEU 43 27.541 24.064 24.064 384 3HD2 LEU 43 HD21 LEU 43 26.332 23.146 23.146 385 H ALA 44 HN ALA 44 26.665 18.445 18.445 386 HA ALA 44 HA ALA 44 27.734 19.696 19.696 387 1HB ALA 44 HB2 ALA 44 25.253 18.182 18.182 388 2HB ALA 44 HB1 ALA 44 25.790 18.139 18.139 389 3HB ALA 44 HB3 ALA 44 25.419 19.683 19.683 390 H SER 45 HN SER 45 28.980 17.485 17.485 391 HA SER 45 HA SER 45 29.052 15.146 15.146 392 1HB SER 45 HB2 SER 45 29.308 14.777 14.777 393 2HB SER 45 HB1 SER 45 30.620 15.948 15.948 394 HG SER 45 HG SER 45 30.597 13.336 13.336 395 HA PRO 46 HA PRO 46 33.454 16.802 16.802 396 1HB PRO 46 HB2 PRO 46 33.809 19.526 19.526 397 2HB PRO 46 HB1 PRO 46 34.206 18.369 18.369 398 1HG PRO 46 HG2 PRO 46 31.887 20.236 20.236 399 2HG PRO 46 HG1 PRO 46 32.685 19.583 19.583 400 1HD PRO 46 HD2 PRO 46 30.243 18.686 18.686 401 2HD PRO 46 HD1 PRO 46 31.241 17.797 17.797 402 H GLU 47 HN GLU 47 32.092 16.229 16.229 403 HA GLU 47 HA GLU 47 31.272 16.661 16.661 404 1HB GLU 47 HB2 GLU 47 33.640 18.451 18.451 405 2HB GLU 47 HB1 GLU 47 32.677 18.645 18.645 406 1HG GLU 47 HG2 GLU 47 33.301 16.609 16.609 407 2HG GLU 47 HG1 GLU 47 33.370 15.855 15.855 408 H GLN 48 HN GLN 48 29.139 17.444 17.444 409 HA GLN 48 HA GLN 48 28.873 20.350 20.350 410 1HB GLN 48 HB2 GLN 48 28.866 19.494 19.494 411 2HB GLN 48 HB1 GLN 48 27.162 19.258 19.258 412 1HG GLN 48 HG2 GLN 48 26.899 21.463 21.463 413 2HG GLN 48 HG1 GLN 48 27.734 21.740 21.740 414 1HE2 GLN 48 HE22 GLN 48 29.484 23.131 23.131 415 2HE2 GLN 48 HE21 GLN 48 27.817 22.881 22.881 416 H LEU 49 HN LEU 49 27.677 17.151 17.151 417 HA LEU 49 HA LEU 49 25.450 18.378 18.378 418 1HB LEU 49 HB2 LEU 49 24.589 16.033 16.033 419 2HB LEU 49 HB1 LEU 49 23.750 17.512 17.512 420 HG LEU 49 HG LEU 49 25.273 18.620 18.620 421 1HD1 LEU 49 HD11 LEU 49 26.860 16.527 16.527 422 2HD1 LEU 49 HD13 LEU 49 25.637 15.839 15.839 423 3HD1 LEU 49 HD12 LEU 49 26.477 17.314 17.314 424 1HD2 LEU 49 HD23 LEU 49 22.930 17.031 17.031 425 2HD2 LEU 49 HD22 LEU 49 23.417 18.426 18.426 426 3HD2 LEU 49 HD21 LEU 49 23.910 16.801 16.801 427 H GLU 50 HN GLU 50 24.255 15.931 15.931 428 HA GLU 50 HA GLU 50 26.152 15.062 15.062 429 1HB GLU 50 HB2 GLU 50 23.698 13.477 13.477 430 2HB GLU 50 HB1 GLU 50 24.371 14.290 14.290 431 1HG GLU 50 HG2 GLU 50 23.654 16.472 16.472 432 2HG GLU 50 HG1 GLU 50 22.687 15.472 15.472 433 H LYS 51 HN LYS 51 24.294 12.953 12.953 434 HA LYS 51 HA LYS 51 26.900 11.646 11.646 435 1HB LYS 51 HB2 LYS 51 26.080 9.461 9.461 436 2HB LYS 51 HB1 LYS 51 25.956 10.563 10.563 437 1HG LYS 51 HG2 LYS 51 23.631 9.759 9.759 438 2HG LYS 51 HG1 LYS 51 23.980 9.066 9.066 439 1HD LYS 51 HD2 LYS 51 22.750 10.692 10.692 440 2HD LYS 51 HD1 LYS 51 24.016 11.816 11.816 441 1HE LYS 51 HE2 LYS 51 22.771 11.849 11.849 442 2HE LYS 51 HE1 LYS 51 21.417 11.209 11.209 443 1HZ LYS 51 HZ2 LYS 51 21.926 13.184 13.184 444 2HZ LYS 51 HZ1 LYS 51 22.768 13.814 13.814 445 3HZ LYS 51 HZ3 LYS 51 21.112 13.478 13.478 446 H PHE 52 HN PHE 52 23.507 10.817 10.817 447 HA PHE 52 HA PHE 52 22.790 10.033 10.033 448 1HB PHE 52 HB2 PHE 52 23.595 11.886 11.886 449 2HB PHE 52 HB1 PHE 52 22.534 12.296 12.296 450 HD1 PHE 52 HD2 PHE 52 23.431 13.226 13.226 451 HD2 PHE 52 HD1 PHE 52 25.954 12.757 12.757 452 HE1 PHE 52 HE2 PHE 52 25.113 14.611 14.611 453 HE2 PHE 52 HE1 PHE 52 27.622 14.160 14.160 454 HZ PHE 52 HZ PHE 52 27.213 15.127 15.127 455 H GLN 53 HN GLN 53 25.223 11.259 11.259 456 HA GLN 53 HA GLN 53 25.928 9.178 9.178 457 1HB GLN 53 HB2 GLN 53 28.269 10.154 10.154 458 2HB GLN 53 HB1 GLN 53 26.961 11.312 11.312 459 1HG GLN 53 HG2 GLN 53 27.232 11.487 11.487 460 2HG GLN 53 HG1 GLN 53 28.881 11.059 11.059 461 1HE2 GLN 53 HE22 GLN 53 29.409 14.487 14.487 462 2HE2 GLN 53 HE21 GLN 53 29.831 13.165 13.165 463 H SER 54 HN SER 54 27.058 9.556 9.556 464 HA SER 54 HA SER 54 27.722 7.806 7.806 465 1HB SER 54 HB2 SER 54 28.324 6.026 6.026 466 2HB SER 54 HB1 SER 54 27.878 5.577 5.577 467 HG SER 54 HG SER 54 25.834 5.851 5.851 468 H ARG 55 HN ARG 55 29.408 9.386 9.386 469 HA ARG 55 HA ARG 55 32.028 8.172 8.172 470 1HB ARG 55 HB2 ARG 55 32.878 9.990 9.990 471 2HB ARG 55 HB1 ARG 55 31.331 9.534 9.534 472 1HG ARG 55 HG2 ARG 55 30.912 11.775 11.775 473 2HG ARG 55 HG1 ARG 55 30.498 11.382 11.382 474 1HD ARG 55 HD2 ARG 55 32.038 13.253 13.253 475 2HD ARG 55 HD1 ARG 55 32.888 11.831 11.831 476 HE ARG 55 HE ARG 55 33.160 12.533 12.533 477 1HH1 ARG 55 HH21 ARG 55 34.771 10.425 10.425 478 2HH1 ARG 55 HH22 ARG 55 36.274 11.258 11.258 479 1HH2 ARG 55 HH11 ARG 55 34.957 14.376 14.376 480 2HH2 ARG 55 HH12 ARG 55 36.379 13.497 13.497 481 H LEU 56 HN LEU 56 30.158 10.745 10.745 482 HA LEU 56 HA LEU 56 32.414 11.652 11.652 483 1HB LEU 56 HB2 LEU 56 29.820 12.610 12.610 484 2HB LEU 56 HB1 LEU 56 31.193 13.534 13.534 485 HG LEU 56 HG LEU 56 30.382 12.721 12.721 486 1HD1 LEU 56 HD12 LEU 56 28.623 11.212 11.212 487 2HD1 LEU 56 HD11 LEU 56 27.732 12.709 12.709 488 3HD1 LEU 56 HD13 LEU 56 28.105 12.155 12.155 489 1HD2 LEU 56 HD21 LEU 56 28.872 14.759 14.759 490 2HD2 LEU 56 HD23 LEU 56 30.345 15.057 15.057 491 3HD2 LEU 56 HD22 LEU 56 28.854 14.688 14.688 492 H SER 57 HN SER 57 29.082 10.786 10.786 493 HA SER 57 HA SER 57 30.123 9.449 9.449 494 1HB SER 57 HB2 SER 57 28.439 10.731 10.731 495 2HB SER 57 HB1 SER 57 27.692 10.929 10.929 496 HG SER 57 HG SER 57 27.386 8.884 8.884 497 HA PRO 58 HA PRO 58 29.198 5.718 5.718 498 1HB PRO 58 HB2 PRO 58 30.380 4.020 4.020 499 2HB PRO 58 HB1 PRO 58 31.242 4.919 4.919 500 1HG PRO 58 HG2 PRO 58 31.149 5.419 5.419 501 2HG PRO 58 HG1 PRO 58 32.411 5.850 5.850 502 1HD PRO 58 HD2 PRO 58 30.459 7.611 7.611 503 2HD PRO 58 HD1 PRO 58 31.518 7.939 7.939 504 H GLU 59 HN GLU 59 27.035 5.573 5.573 505 HA GLU 59 HA GLU 59 25.746 3.579 3.579 506 1HB GLU 59 HB2 GLU 59 24.720 4.727 4.727 507 2HB GLU 59 HB1 GLU 59 26.420 4.300 4.300 508 1HG GLU 59 HG2 GLU 59 27.122 6.551 6.551 509 2HG GLU 59 HG1 GLU 59 25.524 7.026 7.026 510 H GLU 60 HN GLU 60 24.646 4.039 4.039 511 HA GLU 60 HA GLU 60 22.998 6.472 6.472 512 1HB GLU 60 HB2 GLU 60 24.105 4.723 4.723 513 2HB GLU 60 HB1 GLU 60 22.356 4.535 4.535 514 1HG GLU 60 HG2 GLU 60 23.337 7.321 7.321 515 2HG GLU 60 HG1 GLU 60 23.721 6.518 6.518 516 HA PRO 61 HA PRO 61 19.515 3.234 3.234 517 1HB PRO 61 HB2 PRO 61 20.210 0.602 0.602 518 2HB PRO 61 HB1 PRO 61 20.032 1.359 1.359 519 1HG PRO 61 HG2 PRO 61 22.523 0.588 0.588 520 2HG PRO 61 HG1 PRO 61 22.241 0.763 0.763 521 1HD PRO 61 HD2 PRO 61 23.541 2.636 2.636 522 2HD PRO 61 HD1 PRO 61 23.010 2.918 2.918 523 H ALA 62 HN ALA 62 18.391 2.232 2.232 524 HA ALA 62 HA ALA 62 20.010 2.071 2.071 525 1HB ALA 62 HB3 ALA 62 18.632 4.269 4.269 526 2HB ALA 62 HB2 ALA 62 17.240 3.254 3.254 527 3HB ALA 62 HB1 ALA 62 18.532 3.452 3.452 528 HA PRO 63 HA PRO 63 17.690 -1.590 -1.590 529 1HB PRO 63 HB2 PRO 63 17.754 -1.684 -1.684 530 2HB PRO 63 HB1 PRO 63 19.146 -2.047 -2.047 531 1HG PRO 63 HG2 PRO 63 18.626 0.371 0.371 532 2HG PRO 63 HG1 PRO 63 20.172 -0.306 -0.306 533 1HD PRO 63 HD2 PRO 63 18.831 1.931 1.931 534 2HD PRO 63 HD1 PRO 63 20.228 1.081 1.081 535 H GLU 64 HN GLU 64 15.546 -1.773 -1.773 536 HA GLU 64 HA GLU 64 13.310 -0.686 -0.686 537 1HB GLU 64 HB2 GLU 64 12.146 -2.096 -2.096 538 2HB GLU 64 HB1 GLU 64 13.335 -3.026 -3.026 539 1HG GLU 64 HG2 GLU 64 14.919 -2.250 -2.250 540 2HG GLU 64 HG1 GLU 64 13.377 -2.185 -2.185 541 H THR 65 HN THR 65 14.315 1.560 1.560 542 HA THR 65 HA THR 65 14.063 2.231 2.231 543 HB THR 65 HB THR 65 14.520 4.486 4.486 544 HG1 THR 65 HG1 THR 65 13.499 3.557 3.557 545 1HG2 THR 65 HG22 THR 65 16.323 2.710 2.710 546 2HG2 THR 65 HG21 THR 65 15.929 2.762 2.762 547 3HG2 THR 65 HG23 THR 65 16.542 4.204 4.204 548 HA PRO 66 HA PRO 66 9.722 2.960 2.960 549 1HB PRO 66 HB2 PRO 66 9.676 4.506 4.506 550 2HB PRO 66 HB1 PRO 66 9.897 2.748 2.748 551 1HG PRO 66 HG2 PRO 66 11.914 4.899 4.899 552 2HG PRO 66 HG1 PRO 66 11.900 3.233 3.233 553 1HD PRO 66 HD2 PRO 66 13.437 4.196 4.196 554 2HD PRO 66 HD1 PRO 66 13.151 2.489 2.489 555 H GLU 67 HN GLU 67 8.326 5.153 5.153 556 HA GLU 67 HA GLU 67 8.425 6.928 6.928 557 1HB GLU 67 HB2 GLU 67 7.435 8.612 8.612 558 2HB GLU 67 HB1 GLU 67 6.515 7.187 7.187 559 1HG GLU 67 HG2 GLU 67 6.800 6.152 6.152 560 2HG GLU 67 HG1 GLU 67 8.432 6.787 6.787 561 H ALA 68 HN ALA 68 9.042 9.319 9.319 562 HA ALA 68 HA ALA 68 11.730 9.798 9.798 563 1HB ALA 68 HB1 ALA 68 9.541 11.680 11.680 564 2HB ALA 68 HB3 ALA 68 11.198 12.186 12.186 565 3HB ALA 68 HB2 ALA 68 10.203 11.537 11.537 566 HA PRO 69 HA PRO 69 12.342 9.010 9.010 567 1HB PRO 69 HB2 PRO 69 14.855 7.956 7.956 568 2HB PRO 69 HB1 PRO 69 13.367 7.009 7.009 569 1HG PRO 69 HG2 PRO 69 15.213 7.992 7.992 570 2HG PRO 69 HG1 PRO 69 14.092 6.622 6.622 571 1HD PRO 69 HD2 PRO 69 13.675 9.182 9.182 572 2HD PRO 69 HD1 PRO 69 12.478 7.884 7.884 573 H GLU 70 HN GLU 70 14.791 9.405 9.405 574 HA GLU 70 HA GLU 70 15.900 11.951 11.951 575 1HB GLU 70 HB2 GLU 70 14.192 11.690 11.690 576 2HB GLU 70 HB1 GLU 70 15.742 12.457 12.457 577 1HG GLU 70 HG2 GLU 70 14.814 13.538 13.538 578 2HG GLU 70 HG1 GLU 70 13.458 13.579 13.579 579 H ALA 71 HN ALA 71 17.773 12.610 12.610 580 HA ALA 71 HA ALA 71 19.682 10.474 10.474 581 1HB ALA 71 HB3 ALA 71 19.815 13.200 13.200 582 2HB ALA 71 HB2 ALA 71 20.198 12.589 12.589 583 3HB ALA 71 HB1 ALA 71 21.166 12.089 12.089 584 HA PRO 72 HA PRO 72 18.663 8.393 8.393 585 1HB PRO 72 HB2 PRO 72 21.029 7.030 7.030 586 2HB PRO 72 HB1 PRO 72 19.788 6.583 6.583 587 1HG PRO 72 HG2 PRO 72 22.415 7.913 7.913 588 2HG PRO 72 HG1 PRO 72 21.453 6.920 6.920 589 1HD PRO 72 HD2 PRO 72 21.621 9.750 9.750 590 2HD PRO 72 HD1 PRO 72 20.437 8.763 8.763 591 H GLY 73 HN GLY 73 19.437 8.211 8.211 592 1HA GLY 73 HA2 GLY 73 20.749 8.936 8.936 593 2HA GLY 73 HA1 GLY 73 21.620 10.034 10.034 594 H GLY 74 HN GLY 74 18.335 9.553 9.553 595 1HA GLY 74 HA2 GLY 74 17.933 12.499 12.499 596 2HA GLY 74 HA1 GLY 74 16.654 11.308 11.308 597 H SER 75 HN SER 75 15.963 11.022 11.022 598 HA SER 75 HA SER 75 17.742 12.019 12.019 599 1HB SER 75 HB2 SER 75 15.694 13.360 13.360 600 2HB SER 75 HB1 SER 75 14.711 11.903 11.903 601 HG SER 75 HG SER 75 14.838 12.189 12.189 602 H ALA 76 HN ALA 76 18.723 9.923 9.923 603 HA ALA 76 HA ALA 76 16.871 7.867 7.867 604 1HB ALA 76 HB1 ALA 76 18.139 7.324 7.324 605 2HB ALA 76 HB3 ALA 76 19.583 7.257 7.257 606 3HB ALA 76 HB2 ALA 76 18.245 6.149 6.149 607 H VAL 77 HN VAL 77 17.654 6.722 6.722 608 HA VAL 77 HA VAL 77 19.894 8.130 8.130 609 HB VAL 77 HB VAL 77 17.646 6.679 6.679 610 1HG1 VAL 77 HG13 VAL 77 19.950 7.553 7.553 611 2HG1 VAL 77 HG12 VAL 77 19.085 9.091 9.091 612 3HG1 VAL 77 HG11 VAL 77 18.445 7.706 7.706 613 1HG2 VAL 77 HG22 VAL 77 17.709 9.456 9.456 614 2HG2 VAL 77 HG21 VAL 77 16.401 8.273 8.273 615 3HG2 VAL 77 HG23 VAL 77 16.779 9.130 9.130 616 1H ACE 0 HA1 ACE 0 7.404 -22.183 -22.183 617 2H ACE 0 HA2 ACE 0 8.491 -22.046 -22.046 618 3H ACE 0 HA3 ACE 0 9.027 -21.526 -21.526 619 H MET 1 HN MET 1 7.534 -19.758 -19.758 620 HA MET 1 HA MET 1 6.627 -17.898 -17.898 621 1HB MET 1 HB2 MET 1 7.822 -16.788 -16.788 622 2HB MET 1 HB1 MET 1 7.822 -16.119 -16.119 623 1HG MET 1 HG2 MET 1 9.974 -16.843 -16.843 624 2HG MET 1 HG1 MET 1 9.261 -18.432 -18.432 625 1HE MET 1 HE3 MET 1 11.598 -16.516 -16.516 626 2HE MET 1 HE2 MET 1 11.975 -17.133 -17.133 627 3HE MET 1 HE1 MET 1 10.658 -15.982 -15.982 628 H ASP 2 HN ASP 2 4.678 -19.348 -19.348 629 HA ASP 2 HA ASP 2 3.285 -17.487 -17.487 630 1HB ASP 2 HB2 ASP 2 3.489 -20.482 -20.482 631 2HB ASP 2 HB1 ASP 2 2.482 -19.377 -19.377 632 H LEU 3 HN LEU 3 3.080 -18.237 -18.237 633 HA LEU 3 HA LEU 3 0.202 -18.961 -18.961 634 1HB LEU 3 HB2 LEU 3 0.380 -20.435 -20.435 635 2HB LEU 3 HB1 LEU 3 1.465 -20.992 -20.992 636 HG LEU 3 HG LEU 3 2.613 -21.157 -21.157 637 1HD1 LEU 3 HD12 LEU 3 3.693 -19.940 -19.940 638 2HD1 LEU 3 HD11 LEU 3 3.885 -18.656 -18.656 639 3HD1 LEU 3 HD13 LEU 3 4.587 -20.241 -20.241 640 1HD2 LEU 3 HD21 LEU 3 1.092 -18.973 -18.973 641 2HD2 LEU 3 HD23 LEU 3 2.376 -19.718 -19.718 642 3HD2 LEU 3 HD22 LEU 3 2.732 -18.326 -18.326 643 H VAL 4 HN VAL 4 2.797 -17.234 -17.234 644 HA VAL 4 HA VAL 4 1.135 -16.163 -16.163 645 HB VAL 4 HB VAL 4 3.577 -16.212 -16.212 646 1HG1 VAL 4 HG11 VAL 4 3.724 -15.618 -15.618 647 2HG1 VAL 4 HG13 VAL 4 3.853 -13.976 -13.976 648 3HG1 VAL 4 HG12 VAL 4 5.030 -15.197 -15.197 649 1HG2 VAL 4 HG21 VAL 4 1.897 -13.903 -13.903 650 2HG2 VAL 4 HG23 VAL 4 3.249 -14.456 -14.456 651 3HG2 VAL 4 HG22 VAL 4 3.540 -13.378 -13.378 652 H LYS 5 HN LYS 5 1.760 -15.379 -15.379 653 HA LYS 5 HA LYS 5 0.282 -12.803 -12.803 654 1HB LYS 5 HB2 LYS 5 2.552 -13.527 -13.527 655 2HB LYS 5 HB1 LYS 5 1.237 -13.362 -13.362 656 1HG LYS 5 HG2 LYS 5 1.379 -11.259 -11.259 657 2HG LYS 5 HG1 LYS 5 2.684 -11.254 -11.254 658 1HD LYS 5 HD2 LYS 5 0.370 -11.691 -11.691 659 2HD LYS 5 HD1 LYS 5 -0.096 -10.467 -10.467 660 1HE LYS 5 HE2 LYS 5 1.205 -8.888 -8.888 661 2HE LYS 5 HE1 LYS 5 2.562 -10.000 -10.000 662 1HZ LYS 5 HZ3 LYS 5 0.163 -10.006 -10.006 663 2HZ LYS 5 HZ2 LYS 5 1.625 -9.233 -9.233 664 3HZ LYS 5 HZ1 LYS 5 1.575 -10.921 -10.921 665 H ASN 6 HN ASN 6 -1.117 -15.272 -15.272 666 HA ASN 6 HA ASN 6 -2.947 -15.045 -15.045 667 1HB ASN 6 HB2 ASN 6 -1.128 -17.228 -17.228 668 2HB ASN 6 HB1 ASN 6 -2.791 -17.790 -17.790 669 1HD2 ASN 6 HD22 ASN 6 -1.554 -17.715 -17.715 670 2HD2 ASN 6 HD21 ASN 6 -0.730 -18.193 -18.193 671 H HIS 7 HN HIS 7 -2.376 -16.907 -16.907 672 HA HIS 7 HA HIS 7 -5.251 -16.971 -16.971 673 1HB HIS 7 HB2 HIS 7 -4.601 -18.258 -18.258 674 2HB HIS 7 HB1 HIS 7 -3.753 -18.887 -18.887 675 HD1 HIS 7 HD1 HIS 7 -2.185 -19.651 -19.651 676 HD2 HIS 7 HD2 HIS 7 -1.955 -15.719 -15.719 677 HE1 HIS 7 HE1 HIS 7 -0.024 -18.699 -18.699 678 H LEU 8 HN LEU 8 -4.379 -14.314 -14.314 679 HA LEU 8 HA LEU 8 -3.768 -13.295 -13.295 680 1HB LEU 8 HB2 LEU 8 -4.689 -12.010 -12.010 681 2HB LEU 8 HB1 LEU 8 -4.503 -11.080 -11.080 682 HG LEU 8 HG LEU 8 -2.164 -11.691 -11.691 683 1HD1 LEU 8 HD12 LEU 8 -2.865 -13.506 -13.506 684 2HD1 LEU 8 HD11 LEU 8 -1.204 -13.068 -13.068 685 3HD1 LEU 8 HD13 LEU 8 -2.166 -13.945 -13.945 686 1HD2 LEU 8 HD23 LEU 8 -3.030 -9.904 -9.904 687 2HD2 LEU 8 HD22 LEU 8 -1.342 -10.410 -10.410 688 3HD2 LEU 8 HD21 LEU 8 -2.509 -11.078 -11.078 689 H MET 9 HN MET 9 -6.481 -14.557 -14.557 690 HA MET 9 HA MET 9 -8.429 -12.969 -12.969 691 1HB MET 9 HB2 MET 9 -8.608 -15.535 -15.535 692 2HB MET 9 HB1 MET 9 -9.982 -14.934 -14.934 693 1HG MET 9 HG2 MET 9 -9.661 -12.715 -12.715 694 2HG MET 9 HG1 MET 9 -8.559 -13.574 -13.574 695 1HE MET 9 HE2 MET 9 -11.554 -12.036 -12.036 696 2HE MET 9 HE1 MET 9 -10.707 -12.282 -12.282 697 3HE MET 9 HE3 MET 9 -12.375 -12.841 -12.841 698 H TYR 10 HN TYR 10 -6.210 -15.333 -15.333 699 HA TYR 10 HA TYR 10 -7.616 -16.605 -16.605 700 1HB TYR 10 HB2 TYR 10 -5.947 -18.178 -18.178 701 2HB TYR 10 HB1 TYR 10 -5.679 -17.477 -17.477 702 HD1 TYR 10 HD2 TYR 10 -4.289 -14.866 -14.866 703 HD2 TYR 10 HD1 TYR 10 -3.816 -18.819 -18.819 704 HE1 TYR 10 HE2 TYR 10 -1.976 -14.322 -14.322 705 HE2 TYR 10 HE1 TYR 10 -1.500 -18.263 -18.263 706 HH TYR 10 HH TYR 10 -0.153 -16.287 -16.287 707 H ALA 11 HN ALA 11 -5.804 -13.835 -13.835 708 HA ALA 11 HA ALA 11 -5.736 -12.887 -12.887 709 1HB ALA 11 HB3 ALA 11 -3.943 -14.888 -14.888 710 2HB ALA 11 HB2 ALA 11 -2.974 -13.500 -13.500 711 3HB ALA 11 HB1 ALA 11 -3.672 -13.555 -13.555 712 H VAL 12 HN VAL 12 -4.514 -12.801 -12.801 713 HA VAL 12 HA VAL 12 -3.461 -11.126 -11.126 714 HB VAL 12 HB VAL 12 -5.768 -10.250 -10.250 715 1HG1 VAL 12 HG13 VAL 12 -4.817 -8.925 -8.925 716 2HG1 VAL 12 HG12 VAL 12 -6.312 -8.503 -8.503 717 3HG1 VAL 12 HG11 VAL 12 -6.105 -10.119 -10.119 718 1HG2 VAL 12 HG21 VAL 12 -3.826 -8.929 -8.929 719 2HG2 VAL 12 HG23 VAL 12 -5.250 -7.982 -7.982 720 3HG2 VAL 12 HG22 VAL 12 -3.833 -7.973 -7.973 721 H ARG 13 HN ARG 13 -1.846 -11.884 -11.884 722 HA ARG 13 HA ARG 13 -1.026 -9.761 -9.761 723 1HB ARG 13 HB2 ARG 13 -0.288 -12.576 -12.576 724 2HB ARG 13 HB1 ARG 13 1.008 -11.562 -11.562 725 1HG ARG 13 HG2 ARG 13 -0.057 -11.233 -11.233 726 2HG ARG 13 HG1 ARG 13 -1.664 -11.448 -11.448 727 1HD ARG 13 HD2 ARG 13 -1.646 -13.662 -13.662 728 2HD ARG 13 HD1 ARG 13 -0.047 -13.855 -13.855 729 HE ARG 13 HE ARG 13 0.311 -12.601 -12.601 730 1HH1 ARG 13 HH11 ARG 13 1.210 -15.381 -15.381 731 2HH1 ARG 13 HH12 ARG 13 0.761 -16.418 -16.418 732 1HH2 ARG 13 HH21 ARG 13 -1.150 -14.012 -14.012 733 2HH2 ARG 13 HH22 ARG 13 -0.573 -15.644 -15.644 734 H GLU 14 HN GLU 14 -0.973 -8.753 -8.753 735 HA GLU 14 HA GLU 14 1.960 -8.380 -8.380 736 1HB GLU 14 HB2 GLU 14 1.025 -10.000 -10.000 737 2HB GLU 14 HB1 GLU 14 0.016 -8.684 -8.684 738 1HG GLU 14 HG2 GLU 14 1.777 -7.595 -7.595 739 2HG GLU 14 HG1 GLU 14 2.896 -8.050 -8.050 740 H GLU 15 HN GLU 15 -0.905 -6.933 -6.933 741 HA GLU 15 HA GLU 15 0.113 -4.301 -4.301 742 1HB GLU 15 HB2 GLU 15 -2.514 -5.505 -5.505 743 2HB GLU 15 HB1 GLU 15 -2.279 -3.758 -3.758 744 1HG GLU 15 HG2 GLU 15 0.006 -4.742 -4.742 745 2HG GLU 15 HG1 GLU 15 -1.335 -5.657 -5.657 746 H VAL 16 HN VAL 16 -1.033 -2.527 -2.527 747 HA VAL 16 HA VAL 16 -2.282 -1.588 -1.588 748 HB VAL 16 HB VAL 16 -2.942 -4.360 -4.360 749 1HG1 VAL 16 HG12 VAL 16 -4.350 -1.674 -1.674 750 2HG1 VAL 16 HG11 VAL 16 -4.995 -3.174 -3.174 751 3HG1 VAL 16 HG13 VAL 16 -3.531 -2.468 -2.468 752 1HG2 VAL 16 HG22 VAL 16 -3.567 -3.308 -3.308 753 2HG2 VAL 16 HG21 VAL 16 -4.175 -4.789 -4.789 754 3HG2 VAL 16 HG23 VAL 16 -5.045 -3.270 -3.270 755 H GLU 17 HN GLU 17 -0.939 -4.691 -4.691 756 HA GLU 17 HA GLU 17 0.116 -3.440 -3.440 757 1HB GLU 17 HB2 GLU 17 -0.482 -5.983 -5.983 758 2HB GLU 17 HB1 GLU 17 1.239 -6.026 -6.026 759 1HG GLU 17 HG2 GLU 17 1.862 -5.399 -5.399 760 2HG GLU 17 HG1 GLU 17 0.227 -4.868 -4.868 761 H ILE 18 HN ILE 18 1.450 -4.211 -4.211 762 HA ILE 18 HA ILE 18 4.208 -3.782 -3.782 763 HB ILE 18 HB ILE 18 2.758 -3.691 -3.691 764 1HG1 ILE 18 HG12 ILE 18 4.634 -5.664 -5.664 765 2HG1 ILE 18 HG11 ILE 18 2.925 -5.908 -5.908 766 1HG2 ILE 18 HG21 ILE 18 4.752 -2.186 -2.186 767 2HG2 ILE 18 HG23 ILE 18 5.745 -3.552 -3.552 768 3HG2 ILE 18 HG22 ILE 18 4.952 -3.581 -3.581 769 1HD1 ILE 18 HD13 ILE 18 5.007 -5.353 -5.353 770 2HD1 ILE 18 HD12 ILE 18 4.525 -6.980 -6.980 771 3HD1 ILE 18 HD11 ILE 18 3.343 -5.885 -5.885 772 H LEU 19 HN LEU 19 1.572 -1.664 -1.664 773 HA LEU 19 HA LEU 19 3.361 0.645 0.645 774 1HB LEU 19 HB2 LEU 19 0.414 0.139 0.139 775 2HB LEU 19 HB1 LEU 19 0.975 1.797 1.797 776 HG LEU 19 HG LEU 19 0.801 1.265 1.265 777 1HD1 LEU 19 HD11 LEU 19 2.936 2.437 2.437 778 2HD1 LEU 19 HD13 LEU 19 3.740 1.178 1.178 779 3HD1 LEU 19 HD12 LEU 19 2.727 2.373 2.373 780 1HD2 LEU 19 HD22 LEU 19 1.347 -1.257 -1.257 781 2HD2 LEU 19 HD21 LEU 19 1.797 -0.596 -0.596 782 3HD2 LEU 19 HD23 LEU 19 3.010 -0.748 -0.748 783 H LYS 20 HN LYS 20 1.047 -0.554 -0.554 784 HA LYS 20 HA LYS 20 1.321 1.758 1.758 785 1HB LYS 20 HB2 LYS 20 -0.558 -0.134 -0.134 786 2HB LYS 20 HB1 LYS 20 0.460 -0.897 -0.897 787 1HG LYS 20 HG2 LYS 20 0.402 1.596 1.596 788 2HG LYS 20 HG1 LYS 20 -1.150 1.601 1.601 789 1HD LYS 20 HD2 LYS 20 -2.079 0.268 0.268 790 2HD LYS 20 HD1 LYS 20 -0.758 -0.894 -0.894 791 1HE LYS 20 HE2 LYS 20 0.418 1.244 1.244 792 2HE LYS 20 HE1 LYS 20 -1.204 1.187 1.187 793 1HZ LYS 20 HZ3 LYS 20 -0.606 -1.390 -1.390 794 2HZ LYS 20 HZ2 LYS 20 0.959 -0.751 -0.751 795 3HZ LYS 20 HZ1 LYS 20 -0.246 -0.367 -0.367 796 H GLU 21 HN GLU 21 3.095 -1.158 -1.158 797 HA GLU 21 HA GLU 21 4.437 -1.132 -1.132 798 1HB GLU 21 HB2 GLU 21 4.610 -2.762 -2.762 799 2HB GLU 21 HB1 GLU 21 6.013 -2.739 -2.739 800 1HG GLU 21 HG2 GLU 21 3.180 -3.459 -3.459 801 2HG GLU 21 HG1 GLU 21 4.515 -4.593 -4.593 802 H GLN 22 HN GLN 22 5.078 -0.035 -0.035 803 HA GLN 22 HA GLN 22 7.803 0.816 0.816 804 1HB GLN 22 HB2 GLN 22 5.944 1.141 1.141 805 2HB GLN 22 HB1 GLN 22 7.408 2.119 2.119 806 1HG GLN 22 HG2 GLN 22 8.801 0.146 0.146 807 2HG GLN 22 HG1 GLN 22 7.387 -0.901 -0.901 808 1HE2 GLN 22 HE22 GLN 22 6.449 -0.054 -0.054 809 2HE2 GLN 22 HE21 GLN 22 5.705 0.074 0.074 810 H ILE 23 HN ILE 23 4.589 2.223 2.223 811 HA ILE 23 HA ILE 23 5.554 4.957 4.957 812 HB ILE 23 HB ILE 23 3.294 4.234 4.234 813 1HG1 ILE 23 HG12 ILE 23 2.154 6.155 6.155 814 2HG1 ILE 23 HG11 ILE 23 3.844 6.413 6.413 815 1HG2 ILE 23 HG23 ILE 23 2.885 2.723 2.723 816 2HG2 ILE 23 HG22 ILE 23 2.378 4.216 4.216 817 3HG2 ILE 23 HG21 ILE 23 1.528 3.646 3.646 818 1HD1 ILE 23 HD11 ILE 23 3.280 6.028 6.028 819 2HD1 ILE 23 HD13 ILE 23 2.708 7.538 7.538 820 3HD1 ILE 23 HD12 ILE 23 4.419 7.118 7.118 821 H ARG 24 HN ARG 24 4.458 2.304 2.304 822 HA ARG 24 HA ARG 24 4.513 3.923 3.923 823 1HB ARG 24 HB2 ARG 24 4.105 1.829 1.829 824 2HB ARG 24 HB1 ARG 24 3.072 1.876 1.876 825 1HG ARG 24 HG2 ARG 24 3.942 -0.193 -0.193 826 2HG ARG 24 HG1 ARG 24 5.302 0.717 0.717 827 1HD ARG 24 HD2 ARG 24 6.505 -0.505 -0.505 828 2HD ARG 24 HD1 ARG 24 5.939 0.720 0.720 829 HE ARG 24 HE ARG 24 4.820 -2.021 -2.021 830 1HH1 ARG 24 HH21 ARG 24 2.555 -0.388 -0.388 831 2HH1 ARG 24 HH22 ARG 24 2.671 -0.220 -0.220 832 1HH2 ARG 24 HH11 ARG 24 6.000 -1.180 -1.180 833 2HH2 ARG 24 HH12 ARG 24 4.621 -0.667 -0.667 834 H GLU 25 HN GLU 25 6.707 1.848 1.848 835 HA GLU 25 HA GLU 25 8.714 1.757 1.757 836 1HB GLU 25 HB2 GLU 25 8.643 -0.028 -0.028 837 2HB GLU 25 HB1 GLU 25 8.898 1.149 1.149 838 1HG GLU 25 HG2 GLU 25 11.043 1.787 1.787 839 2HG GLU 25 HG1 GLU 25 10.832 0.199 0.199 840 H LEU 26 HN LEU 26 7.980 3.764 3.764 841 HA LEU 26 HA LEU 26 10.473 5.277 5.277 842 1HB LEU 26 HB2 LEU 26 7.922 5.536 5.536 843 2HB LEU 26 HB1 LEU 26 9.070 6.876 6.876 844 HG LEU 26 HG LEU 26 9.857 4.046 4.046 845 1HD1 LEU 26 HD13 LEU 26 9.177 6.400 6.400 846 2HD1 LEU 26 HD12 LEU 26 9.892 4.884 4.884 847 3HD1 LEU 26 HD11 LEU 26 8.266 4.897 4.897 848 1HD2 LEU 26 HD23 LEU 26 11.229 6.653 6.653 849 2HD2 LEU 26 HD22 LEU 26 11.878 5.018 5.018 850 3HD2 LEU 26 HD21 LEU 26 11.651 5.754 5.754 851 H VAL 27 HN VAL 27 7.223 5.488 5.488 852 HA VAL 27 HA VAL 27 7.644 8.215 8.215 853 HB VAL 27 HB VAL 27 5.372 7.199 7.199 854 1HG1 VAL 27 HG11 VAL 27 5.805 5.109 5.109 855 2HG1 VAL 27 HG13 VAL 27 5.442 6.112 6.112 856 3HG1 VAL 27 HG12 VAL 27 4.213 5.848 5.848 857 1HG2 VAL 27 HG23 VAL 27 6.120 9.032 9.032 858 2HG2 VAL 27 HG22 VAL 27 4.714 9.089 9.089 859 3HG2 VAL 27 HG21 VAL 27 4.635 8.196 8.196 860 H GLU 28 HN GLU 28 8.141 4.942 4.942 861 HA GLU 28 HA GLU 28 8.319 5.562 5.562 862 1HB GLU 28 HB2 GLU 28 7.789 3.252 3.252 863 2HB GLU 28 HB1 GLU 28 9.532 3.136 3.136 864 1HG GLU 28 HG2 GLU 28 9.944 3.378 3.378 865 2HG GLU 28 HG1 GLU 28 8.239 3.712 3.712 866 H LYS 29 HN LYS 29 10.521 5.096 5.096 867 HA LYS 29 HA LYS 29 12.917 5.500 5.500 868 1HB LYS 29 HB2 LYS 29 12.266 5.059 5.059 869 2HB LYS 29 HB1 LYS 29 13.660 6.106 6.106 870 1HG LYS 29 HG2 LYS 29 14.701 4.413 4.413 871 2HG LYS 29 HG1 LYS 29 13.283 3.376 3.376 872 1HD LYS 29 HD2 LYS 29 13.932 2.616 2.616 873 2HD LYS 29 HD1 LYS 29 14.356 4.233 4.233 874 1HE LYS 29 HE2 LYS 29 16.107 2.826 2.826 875 2HE LYS 29 HE1 LYS 29 16.256 2.458 2.458 876 1HZ LYS 29 HZ2 LYS 29 16.293 5.047 5.047 877 2HZ LYS 29 HZ1 LYS 29 16.825 4.956 4.956 878 3HZ LYS 29 HZ3 LYS 29 17.708 4.188 4.188 879 H ASN 30 HN ASN 30 10.771 7.505 7.505 880 HA ASN 30 HA ASN 30 12.394 9.895 9.895 881 1HB ASN 30 HB2 ASN 30 10.345 9.322 9.322 882 2HB ASN 30 HB1 ASN 30 9.394 9.971 9.971 883 1HD2 ASN 30 HD22 ASN 30 9.950 13.232 13.232 884 2HD2 ASN 30 HD21 ASN 30 8.854 12.088 12.088 885 H SER 31 HN SER 31 9.859 8.452 8.452 886 HA SER 31 HA SER 31 9.565 10.685 10.685 887 1HB SER 31 HB2 SER 31 8.345 9.135 9.135 888 2HB SER 31 HB1 SER 31 7.905 8.795 8.795 889 HG SER 31 HG SER 31 9.125 7.217 7.217 890 H GLN 32 HN GLN 32 11.660 7.853 7.853 891 HA GLN 32 HA GLN 32 12.839 8.226 8.226 892 1HB GLN 32 HB2 GLN 32 12.913 6.227 6.227 893 2HB GLN 32 HB1 GLN 32 14.520 6.940 6.940 894 1HG GLN 32 HG2 GLN 32 13.633 6.575 6.575 895 2HG GLN 32 HG1 GLN 32 13.804 5.066 5.066 896 1HE2 GLN 32 HE21 GLN 32 15.573 6.320 6.320 897 2HE2 GLN 32 HE22 GLN 32 17.124 6.352 6.352 898 H LEU 33 HN LEU 33 13.390 9.473 9.473 899 HA LEU 33 HA LEU 33 15.974 10.681 10.681 900 1HB LEU 33 HB2 LEU 33 14.394 10.251 10.251 901 2HB LEU 33 HB1 LEU 33 15.007 11.903 11.903 902 HG LEU 33 HG LEU 33 16.584 10.302 10.302 903 1HD1 LEU 33 HD11 LEU 33 17.379 12.373 12.373 904 2HD1 LEU 33 HD13 LEU 33 17.566 11.481 11.481 905 3HD1 LEU 33 HD12 LEU 33 18.568 11.077 11.077 906 1HD2 LEU 33 HD23 LEU 33 15.882 8.619 8.619 907 2HD2 LEU 33 HD22 LEU 33 17.252 8.377 8.377 908 3HD2 LEU 33 HD21 LEU 33 17.490 9.171 9.171 909 H GLU 34 HN GLU 34 12.624 11.475 11.475 910 HA GLU 34 HA GLU 34 13.079 14.379 14.379 911 1HB GLU 34 HB2 GLU 34 10.862 12.755 12.755 912 2HB GLU 34 HB1 GLU 34 10.519 13.457 13.457 913 1HG GLU 34 HG2 GLU 34 11.624 15.529 15.529 914 2HG GLU 34 HG1 GLU 34 10.399 14.722 14.722 915 H ARG 35 HN ARG 35 12.600 11.659 11.659 916 HA ARG 35 HA ARG 35 12.411 13.346 13.346 917 1HB ARG 35 HB2 ARG 35 12.916 10.367 10.367 918 2HB ARG 35 HB1 ARG 35 12.620 11.185 11.185 919 1HG ARG 35 HG2 ARG 35 10.680 11.428 11.428 920 2HG ARG 35 HG1 ARG 35 10.595 10.074 10.074 921 1HD ARG 35 HD2 ARG 35 10.451 13.015 13.015 922 2HD ARG 35 HD1 ARG 35 9.110 11.871 11.871 923 HE ARG 35 HE ARG 35 11.403 11.867 11.867 924 1HH1 ARG 35 HH21 ARG 35 9.675 9.355 9.355 925 2HH1 ARG 35 HH22 ARG 35 8.730 9.105 9.105 926 1HH2 ARG 35 HH11 ARG 35 9.604 12.140 12.140 927 2HH2 ARG 35 HH12 ARG 35 8.690 10.681 10.681 928 H GLU 36 HN GLU 36 14.907 11.701 11.701 929 HA GLU 36 HA GLU 36 16.949 12.190 12.190 930 1HB GLU 36 HB2 GLU 36 16.745 10.649 10.649 931 2HB GLU 36 HB1 GLU 36 18.291 11.479 11.479 932 1HG GLU 36 HG2 GLU 36 17.428 10.256 10.256 933 2HG GLU 36 HG1 GLU 36 17.570 9.066 9.066 934 H ASN 37 HN ASN 37 15.839 13.570 13.570 935 HA ASN 37 HA ASN 37 18.088 15.374 15.374 936 1HB ASN 37 HB2 ASN 37 16.834 14.879 14.879 937 2HB ASN 37 HB1 ASN 37 15.308 15.295 15.295 938 1HD2 ASN 37 HD22 ASN 37 17.771 18.319 18.319 939 2HD2 ASN 37 HD21 ASN 37 18.415 16.768 16.768 940 H THR 38 HN THR 38 14.782 15.703 15.703 941 HA THR 38 HA THR 38 15.076 18.489 18.489 942 HB THR 38 HB THR 38 13.254 16.484 16.484 943 HG1 THR 38 HG1 THR 38 11.898 17.651 17.651 944 1HG2 THR 38 HG23 THR 38 13.488 18.825 18.825 945 2HG2 THR 38 HG22 THR 38 12.858 19.425 19.425 946 3HG2 THR 38 HG21 THR 38 11.854 18.398 18.398 947 H LEU 39 HN LEU 39 15.967 15.488 15.488 948 HA LEU 39 HA LEU 39 16.387 16.640 16.640 949 1HB LEU 39 HB2 LEU 39 16.402 14.057 14.057 950 2HB LEU 39 HB1 LEU 39 18.050 14.326 14.326 951 HG LEU 39 HG LEU 39 16.598 13.368 13.368 952 1HD1 LEU 39 HD13 LEU 39 17.687 16.169 16.169 953 2HD1 LEU 39 HD12 LEU 39 17.025 15.274 15.274 954 3HD1 LEU 39 HD11 LEU 39 18.427 14.648 14.648 955 1HD2 LEU 39 HD22 LEU 39 14.665 15.009 15.009 956 2HD2 LEU 39 HD21 LEU 39 14.577 14.265 14.265 957 3HD2 LEU 39 HD23 LEU 39 15.159 15.921 15.921 958 H LEU 40 HN LEU 40 18.546 15.828 15.828 959 HA LEU 40 HA LEU 40 20.860 16.956 16.956 960 1HB LEU 40 HB2 LEU 40 20.575 16.227 16.227 961 2HB LEU 40 HB1 LEU 40 22.079 16.473 16.473 962 HG LEU 40 HG LEU 40 20.084 14.223 14.223 963 1HD1 LEU 40 HD12 LEU 40 23.036 14.481 14.481 964 2HD1 LEU 40 HD11 LEU 40 22.320 12.948 12.948 965 3HD1 LEU 40 HD13 LEU 40 21.788 13.725 13.725 966 1HD2 LEU 40 HD22 LEU 40 21.891 15.414 15.414 967 2HD2 LEU 40 HD21 LEU 40 20.414 14.473 14.473 968 3HD2 LEU 40 HD23 LEU 40 21.935 13.655 13.655 969 H LYS 41 HN LYS 41 18.286 18.197 18.197 970 HA LYS 41 HA LYS 41 19.784 20.556 20.556 971 1HB LYS 41 HB2 LYS 41 17.684 19.390 19.390 972 2HB LYS 41 HB1 LYS 41 16.784 20.412 20.412 973 1HG LYS 41 HG2 LYS 41 18.967 21.563 21.563 974 2HG LYS 41 HG1 LYS 41 17.327 21.367 21.367 975 1HD LYS 41 HD2 LYS 41 17.182 22.531 22.531 976 2HD LYS 41 HD1 LYS 41 18.324 23.463 23.463 977 1HE LYS 41 HE2 LYS 41 16.277 24.466 24.466 978 2HE LYS 41 HE1 LYS 41 16.487 23.300 23.300 979 1HZ LYS 41 HZ2 LYS 41 14.917 22.841 22.841 980 2HZ LYS 41 HZ1 LYS 41 14.262 23.197 23.197 981 3HZ LYS 41 HZ3 LYS 41 15.098 21.742 21.742 982 H THR 42 HN THR 42 17.596 19.618 19.618 983 HA THR 42 HA THR 42 17.332 22.353 22.353 984 HB THR 42 HB THR 42 16.695 19.814 19.814 985 HG1 THR 42 HG1 THR 42 15.423 21.002 21.002 986 1HG2 THR 42 HG21 THR 42 16.278 22.656 22.656 987 2HG2 THR 42 HG23 THR 42 14.735 21.802 21.802 988 3HG2 THR 42 HG22 THR 42 15.968 21.333 21.333 989 H LEU 43 HN LEU 43 19.254 19.461 19.461 990 HA LEU 43 HA LEU 43 20.483 20.638 20.638 991 1HB LEU 43 HB2 LEU 43 20.965 18.150 18.150 992 2HB LEU 43 HB1 LEU 43 22.133 18.665 18.665 993 HG LEU 43 HG LEU 43 19.181 18.244 18.244 994 1HD1 LEU 43 HD13 LEU 43 21.572 16.455 16.455 995 2HD1 LEU 43 HD12 LEU 43 20.332 16.336 16.336 996 3HD1 LEU 43 HD11 LEU 43 19.912 16.061 16.061 997 1HD2 LEU 43 HD23 LEU 43 21.474 19.320 19.320 998 2HD2 LEU 43 HD22 LEU 43 19.746 19.611 19.611 999 3HD2 LEU 43 HD21 LEU 43 20.476 18.148 18.148 1000 H ALA 44 HN ALA 44 21.405 20.180 20.180 1001 HA ALA 44 HA ALA 44 24.026 21.394 21.394 1002 1HB ALA 44 HB1 ALA 44 23.221 19.827 19.827 1003 2HB ALA 44 HB3 ALA 44 22.509 21.282 21.282 1004 3HB ALA 44 HB2 ALA 44 24.251 21.190 21.190 1005 H SER 45 HN SER 45 20.805 22.489 22.489 1006 HA SER 45 HA SER 45 21.724 25.294 25.294 1007 1HB SER 45 HB2 SER 45 20.471 24.100 24.100 1008 2HB SER 45 HB1 SER 45 19.870 25.678 25.678 1009 HG SER 45 HG SER 45 22.017 25.215 25.215 1010 HA PRO 46 HA PRO 46 18.029 24.384 24.384 1011 1HB PRO 46 HB2 PRO 46 18.861 25.933 25.933 1012 2HB PRO 46 HB1 PRO 46 19.314 24.233 24.233 1013 1HG PRO 46 HG2 PRO 46 20.955 26.687 26.687 1014 2HG PRO 46 HG1 PRO 46 21.477 25.056 25.056 1015 1HD PRO 46 HD2 PRO 46 21.649 26.159 26.159 1016 2HD PRO 46 HD1 PRO 46 21.770 24.430 24.430 1017 H GLU 47 HN GLU 47 19.409 27.212 27.212 1018 HA GLU 47 HA GLU 47 17.329 29.031 29.031 1019 1HB GLU 47 HB2 GLU 47 19.877 29.414 29.414 1020 2HB GLU 47 HB1 GLU 47 18.851 29.914 29.914 1021 1HG GLU 47 HG2 GLU 47 17.514 31.140 31.140 1022 2HG GLU 47 HG1 GLU 47 19.102 31.094 31.094 1023 H GLN 48 HN GLN 48 16.072 30.323 30.323 1024 HA GLN 48 HA GLN 48 15.507 29.289 29.289 1025 1HB GLN 48 HB2 GLN 48 13.174 28.371 28.371 1026 2HB GLN 48 HB1 GLN 48 14.536 27.319 27.319 1027 1HG GLN 48 HG2 GLN 48 14.454 28.631 28.631 1028 2HG GLN 48 HG1 GLN 48 12.774 28.890 28.890 1029 1HE2 GLN 48 HE22 GLN 48 12.078 25.735 25.735 1030 2HE2 GLN 48 HE21 GLN 48 11.800 27.409 27.409 1031 H LEU 49 HN LEU 49 14.063 30.537 30.537 1032 HA LEU 49 HA LEU 49 13.280 32.668 32.668 1033 1HB LEU 49 HB2 LEU 49 15.041 33.170 33.170 1034 2HB LEU 49 HB1 LEU 49 13.597 33.527 33.527 1035 HG LEU 49 HG LEU 49 14.168 35.564 35.564 1036 1HD1 LEU 49 HD11 LEU 49 11.774 34.795 34.795 1037 2HD1 LEU 49 HD13 LEU 49 12.162 34.309 34.309 1038 3HD1 LEU 49 HD12 LEU 49 12.261 35.998 35.998 1039 1HD2 LEU 49 HD22 LEU 49 14.468 33.976 33.976 1040 2HD2 LEU 49 HD21 LEU 49 15.780 34.706 34.706 1041 3HD2 LEU 49 HD23 LEU 49 14.600 35.732 35.732 1042 H GLU 50 HN GLU 50 12.088 31.317 31.317 1043 HA GLU 50 HA GLU 50 9.666 32.683 32.683 1044 1HB GLU 50 HB2 GLU 50 9.791 29.660 29.660 1045 2HB GLU 50 HB1 GLU 50 8.806 30.751 30.751 1046 1HG GLU 50 HG2 GLU 50 11.048 31.750 31.750 1047 2HG GLU 50 HG1 GLU 50 11.789 30.296 30.296 1048 H LYS 51 HN LYS 51 10.744 30.479 30.479 1049 HA LYS 51 HA LYS 51 8.713 29.536 29.536 1050 1HB LYS 51 HB2 LYS 51 11.196 29.520 29.520 1051 2HB LYS 51 HB1 LYS 51 11.047 31.153 31.153 1052 1HG LYS 51 HG2 LYS 51 9.566 30.350 30.350 1053 2HG LYS 51 HG1 LYS 51 9.674 28.708 28.708 1054 1HD LYS 51 HD2 LYS 51 11.289 29.342 29.342 1055 2HD LYS 51 HD1 LYS 51 11.970 28.514 28.514 1056 1HE LYS 51 HE2 LYS 51 11.885 31.510 31.510 1057 2HE LYS 51 HE1 LYS 51 13.144 30.698 30.698 1058 1HZ LYS 51 HZ3 LYS 51 13.141 29.421 29.421 1059 2HZ LYS 51 HZ2 LYS 51 12.870 31.045 31.045 1060 3HZ LYS 51 HZ1 LYS 51 14.240 30.620 30.620 1061 H PHE 52 HN PHE 52 9.989 32.903 32.903 1062 HA PHE 52 HA PHE 52 7.297 33.560 33.560 1063 1HB PHE 52 HB2 PHE 52 8.566 35.208 35.208 1064 2HB PHE 52 HB1 PHE 52 8.810 33.527 33.527 1065 HD1 PHE 52 HD2 PHE 52 10.353 36.111 36.111 1066 HD2 PHE 52 HD1 PHE 52 10.966 32.844 32.844 1067 HE1 PHE 52 HE2 PHE 52 12.782 36.339 36.339 1068 HE2 PHE 52 HE1 PHE 52 13.410 33.074 33.074 1069 HZ PHE 52 HZ PHE 52 14.306 34.830 34.830 1070 H GLN 53 HN GLN 53 8.638 36.391 36.391 1071 HA GLN 53 HA GLN 53 7.407 37.421 37.421 1072 1HB GLN 53 HB2 GLN 53 9.055 39.274 39.274 1073 2HB GLN 53 HB1 GLN 53 7.380 39.420 39.420 1074 1HG GLN 53 HG2 GLN 53 7.020 39.119 39.119 1075 2HG GLN 53 HG1 GLN 53 7.125 37.415 37.415 1076 1HE2 GLN 53 HE22 GLN 53 9.795 37.061 37.061 1077 2HE2 GLN 53 HE21 GLN 53 8.242 36.553 36.553 1078 H SER 54 HN SER 54 10.574 38.457 38.457 1079 HA SER 54 HA SER 54 12.424 37.644 37.644 1080 1HB SER 54 HB2 SER 54 12.230 39.636 39.636 1081 2HB SER 54 HB1 SER 54 11.304 38.160 38.160 1082 HG SER 54 HG SER 54 9.880 39.841 39.841 1083 H ARG 55 HN ARG 55 13.081 38.425 38.425 1084 HA ARG 55 HA ARG 55 14.956 40.456 40.456 1085 1HB ARG 55 HB2 ARG 55 13.556 42.294 42.294 1086 2HB ARG 55 HB1 ARG 55 13.473 42.199 42.199 1087 1HG ARG 55 HG2 ARG 55 11.290 41.616 41.616 1088 2HG ARG 55 HG1 ARG 55 11.557 40.412 40.412 1089 1HD ARG 55 HD2 ARG 55 10.467 41.817 41.817 1090 2HD ARG 55 HD1 ARG 55 11.896 42.848 42.848 1091 HE ARG 55 HE ARG 55 10.583 43.717 43.717 1092 1HH1 ARG 55 HH11 ARG 55 8.544 42.204 42.204 1093 2HH1 ARG 55 HH12 ARG 55 7.610 43.602 43.602 1094 1HH2 ARG 55 HH21 ARG 55 9.752 45.831 45.831 1095 2HH2 ARG 55 HH22 ARG 55 8.292 45.649 45.649 1096 H LEU 56 HN LEU 56 14.478 38.030 38.030 1097 HA LEU 56 HA LEU 56 15.394 38.578 38.578 1098 1HB LEU 56 HB2 LEU 56 13.421 38.091 38.091 1099 2HB LEU 56 HB1 LEU 56 13.102 39.489 39.489 1100 HG LEU 56 HG LEU 56 11.135 38.229 38.229 1101 1HD1 LEU 56 HD11 LEU 56 12.114 38.746 38.746 1102 2HD1 LEU 56 HD13 LEU 56 12.864 37.153 37.153 1103 3HD1 LEU 56 HD12 LEU 56 11.108 37.300 37.300 1104 1HD2 LEU 56 HD22 LEU 56 12.483 36.169 36.169 1105 2HD2 LEU 56 HD21 LEU 56 10.945 35.954 35.954 1106 3HD2 LEU 56 HD23 LEU 56 12.453 35.646 35.646 1107 H SER 57 HN SER 57 14.322 36.368 36.368 1108 HA SER 57 HA SER 57 14.161 34.018 34.018 1109 1HB SER 57 HB2 SER 57 16.632 33.448 33.448 1110 2HB SER 57 HB1 SER 57 16.313 33.606 33.606 1111 HG SER 57 HG SER 57 17.924 35.065 35.065 1112 HA PRO 58 HA PRO 58 14.581 32.836 32.836 1113 1HB PRO 58 HB2 PRO 58 15.578 34.735 34.735 1114 2HB PRO 58 HB1 PRO 58 16.596 33.545 33.545 1115 1HG PRO 58 HG2 PRO 58 16.246 36.454 36.454 1116 2HG PRO 58 HG1 PRO 58 17.649 35.411 35.411 1117 1HD PRO 58 HD2 PRO 58 15.809 36.230 36.230 1118 2HD PRO 58 HD1 PRO 58 16.949 34.879 34.879 1119 H GLU 59 HN GLU 59 13.871 34.319 34.319 1120 HA GLU 59 HA GLU 59 11.433 34.663 34.663 1121 1HB GLU 59 HB2 GLU 59 13.511 36.425 36.425 1122 2HB GLU 59 HB1 GLU 59 12.242 37.464 37.464 1123 1HG GLU 59 HG2 GLU 59 10.890 37.145 37.145 1124 2HG GLU 59 HG1 GLU 59 11.299 35.433 35.433 1125 H GLU 60 HN GLU 60 9.632 34.673 34.673 1126 HA GLU 60 HA GLU 60 9.275 35.532 35.532 1127 1HB GLU 60 HB2 GLU 60 7.563 34.822 34.822 1128 2HB GLU 60 HB1 GLU 60 6.950 36.354 36.354 1129 1HG GLU 60 HG2 GLU 60 6.272 35.417 35.417 1130 2HG GLU 60 HG1 GLU 60 7.758 34.479 34.479 1131 HA PRO 61 HA PRO 61 8.281 39.998 39.998 1132 1HB PRO 61 HB2 PRO 61 8.716 40.617 40.617 1133 2HB PRO 61 HB1 PRO 61 7.168 40.032 40.032 1134 1HG PRO 61 HG2 PRO 61 9.204 38.574 38.574 1135 2HG PRO 61 HG1 PRO 61 7.459 38.297 38.297 1136 1HD PRO 61 HD2 PRO 61 9.467 36.787 36.787 1137 2HD PRO 61 HD1 PRO 61 7.732 36.741 36.741 1138 H ALA 62 HN ALA 62 9.716 41.868 41.868 1139 HA ALA 62 HA ALA 62 11.863 42.798 42.798 1140 1HB ALA 62 HB2 ALA 62 12.426 40.250 40.250 1141 2HB ALA 62 HB1 ALA 62 13.250 40.350 40.350 1142 3HB ALA 62 HB3 ALA 62 13.707 41.437 41.437 1143 HA PRO 63 HA PRO 63 11.753 43.383 43.383 1144 1HB PRO 63 HB2 PRO 63 11.192 46.068 46.068 1145 2HB PRO 63 HB1 PRO 63 9.949 44.806 44.806 1146 1HG PRO 63 HG2 PRO 63 10.925 46.470 46.470 1147 2HG PRO 63 HG1 PRO 63 9.356 45.677 45.677 1148 1HD PRO 63 HD2 PRO 63 11.493 44.747 44.747 1149 2HD PRO 63 HD1 PRO 63 10.042 43.827 43.827 1150 H GLU 64 HN GLU 64 13.641 43.846 43.846 1151 HA GLU 64 HA GLU 64 15.918 44.442 44.442 1152 1HB GLU 64 HB2 GLU 64 14.559 46.507 46.507 1153 2HB GLU 64 HB1 GLU 64 14.895 47.103 47.103 1154 1HG GLU 64 HG2 GLU 64 17.334 46.852 46.852 1155 2HG GLU 64 HG1 GLU 64 16.953 46.368 46.368 1156 H THR 65 HN THR 65 15.948 43.039 43.039 1157 HA THR 65 HA THR 65 17.383 44.741 44.741 1158 HB THR 65 HB THR 65 16.482 43.371 43.371 1159 HG1 THR 65 HG1 THR 65 16.317 41.383 41.383 1160 1HG2 THR 65 HG22 THR 65 15.015 45.149 45.149 1161 2HG2 THR 65 HG21 THR 65 14.009 43.716 43.716 1162 3HG2 THR 65 HG23 THR 65 14.387 44.291 44.291 1163 HA PRO 66 HA PRO 66 20.684 41.878 41.878 1164 1HB PRO 66 HB2 PRO 66 21.787 42.048 42.048 1165 2HB PRO 66 HB1 PRO 66 21.940 43.321 43.321 1166 1HG PRO 66 HG2 PRO 66 20.229 43.262 43.262 1167 2HG PRO 66 HG1 PRO 66 20.902 44.654 44.654 1168 1HD PRO 66 HD2 PRO 66 18.235 43.731 43.731 1169 2HD PRO 66 HD1 PRO 66 19.009 44.890 44.890 1170 H GLU 67 HN GLU 67 20.865 39.652 39.652 1171 HA GLU 67 HA GLU 67 20.382 38.132 38.132 1172 1HB GLU 67 HB2 GLU 67 18.233 37.032 37.032 1173 2HB GLU 67 HB1 GLU 67 18.040 38.734 38.734 1174 1HG GLU 67 HG2 GLU 67 18.540 39.042 39.042 1175 2HG GLU 67 HG1 GLU 67 17.874 37.411 37.411 1176 H ALA 68 HN ALA 68 21.975 36.691 36.691 1177 HA ALA 68 HA ALA 68 21.511 34.826 34.826 1178 1HB ALA 68 HB3 ALA 68 22.773 37.073 37.073 1179 2HB ALA 68 HB2 ALA 68 24.163 36.143 36.143 1180 3HB ALA 68 HB1 ALA 68 23.108 35.485 35.485 1181 HA PRO 69 HA PRO 69 23.854 33.107 33.107 1182 1HB PRO 69 HB2 PRO 69 22.324 30.828 30.828 1183 2HB PRO 69 HB1 PRO 69 21.921 32.338 32.338 1184 1HG PRO 69 HG2 PRO 69 20.666 31.144 31.144 1185 2HG PRO 69 HG1 PRO 69 19.969 32.247 32.247 1186 1HD PRO 69 HD2 PRO 69 20.905 32.967 32.967 1187 2HD PRO 69 HD1 PRO 69 20.503 34.088 34.088 1188 H GLU 70 HN GLU 70 25.739 32.547 32.547 1189 HA GLU 70 HA GLU 70 27.156 31.360 31.360 1190 1HB GLU 70 HB2 GLU 70 27.274 29.022 29.022 1191 2HB GLU 70 HB1 GLU 70 26.847 29.901 29.901 1192 1HG GLU 70 HG2 GLU 70 24.619 28.881 28.881 1193 2HG GLU 70 HG1 GLU 70 25.508 27.720 27.720 1194 H ALA 71 HN ALA 71 24.498 32.155 32.155 1195 HA ALA 71 HA ALA 71 23.709 29.939 29.939 1196 1HB ALA 71 HB2 ALA 71 22.805 32.660 32.660 1197 2HB ALA 71 HB1 ALA 71 22.774 32.283 32.283 1198 3HB ALA 71 HB3 ALA 71 21.887 31.272 31.272 1199 HA PRO 72 HA PRO 72 26.160 32.404 32.404 1200 1HB PRO 72 HB2 PRO 72 27.523 34.638 34.638 1201 2HB PRO 72 HB1 PRO 72 25.849 34.678 34.678 1202 1HG PRO 72 HG2 PRO 72 26.872 34.904 34.904 1203 2HG PRO 72 HG1 PRO 72 25.374 35.540 35.540 1204 1HD PRO 72 HD2 PRO 72 25.602 33.225 33.225 1205 2HD PRO 72 HD1 PRO 72 24.188 33.690 33.690 1206 H GLY 73 HN GLY 73 28.330 31.911 31.911 1207 1HA GLY 73 HA2 GLY 73 30.537 31.926 31.926 1208 2HA GLY 73 HA1 GLY 73 29.879 30.296 30.296 1209 H GLY 74 HN GLY 74 32.499 31.277 31.277 1210 1HA GLY 74 HA2 GLY 74 32.213 30.555 30.555 1211 2HA GLY 74 HA1 GLY 74 33.295 31.857 31.857 1212 H SER 75 HN SER 75 32.810 28.866 28.866 1213 HA SER 75 HA SER 75 35.095 27.469 27.469 1214 1HB SER 75 HB2 SER 75 35.556 29.480 29.480 1215 2HB SER 75 HB1 SER 75 36.255 27.894 27.894 1216 HG SER 75 HG SER 75 37.371 29.662 29.662 1217 H ALA 76 HN ALA 76 32.883 26.236 26.236 1218 HA ALA 76 HA ALA 76 31.825 24.465 24.465 1219 1HB ALA 76 HB2 ALA 76 34.579 24.512 24.512 1220 2HB ALA 76 HB1 ALA 76 33.375 23.636 23.636 1221 3HB ALA 76 HB3 ALA 76 33.683 23.180 23.180 1222 H VAL 77 HN VAL 77 31.541 23.799 23.799 1223 HA VAL 77 HA VAL 77 30.987 26.323 26.323 1224 HB VAL 77 HB VAL 77 28.737 25.040 25.040 1225 1HG1 VAL 77 HG12 VAL 77 29.422 26.864 26.864 1226 2HG1 VAL 77 HG11 VAL 77 27.782 26.220 26.220 1227 3HG1 VAL 77 HG13 VAL 77 28.426 27.170 27.170 1228 1HG2 VAL 77 HG21 VAL 77 29.734 23.308 23.308 1229 2HG2 VAL 77 HG23 VAL 77 28.029 23.444 23.444 1230 3HG2 VAL 77 HG22 VAL 77 28.656 24.316 24.316 Start of MODEL 10 1 1H ACE 0 HA1 ACE 0 -3.275 17.032 17.032 2 2H ACE 0 HA2 ACE 0 -4.369 16.952 16.952 3 3H ACE 0 HA3 ACE 0 -2.627 17.054 17.054 4 H MET 1 HN MET 1 -4.862 14.946 14.946 5 HA MET 1 HA MET 1 -3.219 12.640 12.640 6 1HB MET 1 HB2 MET 1 -4.382 11.360 11.360 7 2HB MET 1 HB1 MET 1 -3.366 12.678 12.678 8 1HG MET 1 HG2 MET 1 -5.154 13.555 13.555 9 2HG MET 1 HG1 MET 1 -5.920 13.792 13.792 10 1HE MET 1 HE1 MET 1 -7.680 13.901 13.901 11 2HE MET 1 HE3 MET 1 -8.825 12.810 12.810 12 3HE MET 1 HE2 MET 1 -8.440 12.601 12.601 13 H ASP 2 HN ASP 2 -4.855 13.617 13.617 14 HA ASP 2 HA ASP 2 -7.240 11.812 11.812 15 1HB ASP 2 HB2 ASP 2 -7.344 14.467 14.467 16 2HB ASP 2 HB1 ASP 2 -7.023 14.015 14.015 17 H LEU 3 HN LEU 3 -4.550 13.002 13.002 18 HA LEU 3 HA LEU 3 -5.147 11.132 11.132 19 1HB LEU 3 HB2 LEU 3 -2.847 11.915 11.915 20 2HB LEU 3 HB1 LEU 3 -4.079 13.167 13.167 21 HG LEU 3 HG LEU 3 -2.603 12.734 12.734 22 1HD1 LEU 3 HD12 LEU 3 -0.996 12.434 12.434 23 2HD1 LEU 3 HD11 LEU 3 -0.950 14.187 14.187 24 3HD1 LEU 3 HD13 LEU 3 -0.454 13.136 13.136 25 1HD2 LEU 3 HD21 LEU 3 -4.146 14.649 14.649 26 2HD2 LEU 3 HD23 LEU 3 -2.566 15.148 15.148 27 3HD2 LEU 3 HD22 LEU 3 -2.906 15.201 15.201 28 H VAL 4 HN VAL 4 -3.417 11.048 11.048 29 HA VAL 4 HA VAL 4 -1.511 8.992 8.992 30 HB VAL 4 HB VAL 4 -1.166 8.765 8.765 31 1HG1 VAL 4 HG13 VAL 4 -0.689 11.018 11.018 32 2HG1 VAL 4 HG12 VAL 4 -1.840 11.669 11.669 33 3HG1 VAL 4 HG11 VAL 4 -0.358 10.896 10.896 34 1HG2 VAL 4 HG22 VAL 4 -3.801 10.252 10.252 35 2HG2 VAL 4 HG21 VAL 4 -3.446 8.626 8.626 36 3HG2 VAL 4 HG23 VAL 4 -2.712 10.027 10.027 37 H LYS 5 HN LYS 5 -4.767 8.943 8.943 38 HA LYS 5 HA LYS 5 -4.758 5.984 5.984 39 1HB LYS 5 HB2 LYS 5 -5.920 7.812 7.812 40 2HB LYS 5 HB1 LYS 5 -7.277 7.290 7.290 41 1HG LYS 5 HG2 LYS 5 -5.602 5.036 5.036 42 2HG LYS 5 HG1 LYS 5 -6.167 5.897 5.897 43 1HD LYS 5 HD2 LYS 5 -8.379 5.773 5.773 44 2HD LYS 5 HD1 LYS 5 -7.652 4.166 4.166 45 1HE LYS 5 HE2 LYS 5 -9.311 4.349 4.349 46 2HE LYS 5 HE1 LYS 5 -7.690 4.125 4.125 47 1HZ LYS 5 HZ3 LYS 5 -8.221 6.874 6.874 48 2HZ LYS 5 HZ2 LYS 5 -9.450 6.182 6.182 49 3HZ LYS 5 HZ1 LYS 5 -7.827 6.060 6.060 50 H ASN 6 HN ASN 6 -4.606 7.281 7.281 51 HA ASN 6 HA ASN 6 -7.260 6.503 6.503 52 1HB ASN 6 HB2 ASN 6 -5.966 9.091 9.091 53 2HB ASN 6 HB1 ASN 6 -6.184 8.497 8.497 54 1HD2 ASN 6 HD22 ASN 6 -9.768 8.569 8.569 55 2HD2 ASN 6 HD21 ASN 6 -8.456 7.832 7.832 56 H HIS 7 HN HIS 7 -3.850 7.226 7.226 57 HA HIS 7 HA HIS 7 -3.919 5.802 5.802 58 1HB HIS 7 HB2 HIS 7 -1.453 6.156 6.156 59 2HB HIS 7 HB1 HIS 7 -2.354 7.645 7.645 60 HD1 HIS 7 HD1 HIS 7 0.295 7.927 7.927 61 HD2 HIS 7 HD2 HIS 7 -2.649 5.843 5.843 62 HE1 HIS 7 HE1 HIS 7 1.015 7.920 7.920 63 H LEU 8 HN LEU 8 -4.271 4.482 4.482 64 HA LEU 8 HA LEU 8 -2.318 2.591 2.591 65 1HB LEU 8 HB2 LEU 8 -5.331 2.352 2.352 66 2HB LEU 8 HB1 LEU 8 -4.316 0.973 0.973 67 HG LEU 8 HG LEU 8 -3.188 2.284 2.284 68 1HD1 LEU 8 HD13 LEU 8 -4.953 4.511 4.511 69 2HD1 LEU 8 HD12 LEU 8 -3.974 4.596 4.596 70 3HD1 LEU 8 HD11 LEU 8 -3.196 4.416 4.416 71 1HD2 LEU 8 HD23 LEU 8 -5.332 1.167 1.167 72 2HD2 LEU 8 HD22 LEU 8 -5.080 2.641 2.641 73 3HD2 LEU 8 HD21 LEU 8 -6.198 2.642 2.642 74 H MET 9 HN MET 9 -4.235 2.793 2.793 75 HA MET 9 HA MET 9 -3.456 0.069 0.069 76 1HB MET 9 HB2 MET 9 -5.307 2.128 2.128 77 2HB MET 9 HB1 MET 9 -4.351 1.423 1.423 78 1HG MET 9 HG2 MET 9 -5.016 -0.836 -0.836 79 2HG MET 9 HG1 MET 9 -5.949 -0.151 -0.151 80 1HE MET 9 HE3 MET 9 -6.655 -2.123 -2.123 81 2HE MET 9 HE2 MET 9 -7.725 -1.514 -1.514 82 3HE MET 9 HE1 MET 9 -5.990 -1.237 -1.237 83 H TYR 10 HN TYR 10 -1.457 1.903 1.903 84 HA TYR 10 HA TYR 10 0.210 2.112 2.112 85 1HB TYR 10 HB2 TYR 10 0.647 4.344 4.344 86 2HB TYR 10 HB1 TYR 10 -0.903 4.323 4.323 87 HD1 TYR 10 HD2 TYR 10 -0.772 3.743 3.743 88 HD2 TYR 10 HD1 TYR 10 2.519 5.113 5.113 89 HE1 TYR 10 HE2 TYR 10 0.373 4.564 4.564 90 HE2 TYR 10 HE1 TYR 10 3.660 5.927 5.927 91 HH TYR 10 HH TYR 10 3.546 5.257 5.257 92 H ALA 11 HN ALA 11 -0.081 2.057 2.057 93 HA ALA 11 HA ALA 11 2.434 0.510 0.510 94 1HB ALA 11 HB2 ALA 11 2.499 3.102 3.102 95 2HB ALA 11 HB1 ALA 11 1.673 2.651 2.651 96 3HB ALA 11 HB3 ALA 11 3.270 1.995 1.995 97 H VAL 12 HN VAL 12 -0.825 1.208 1.208 98 HA VAL 12 HA VAL 12 -2.165 0.417 0.417 99 HB VAL 12 HB VAL 12 -1.791 -1.632 -1.632 100 1HG1 VAL 12 HG11 VAL 12 0.321 -2.083 -2.083 101 2HG1 VAL 12 HG13 VAL 12 -0.433 -3.442 -3.442 102 3HG1 VAL 12 HG12 VAL 12 0.463 -2.232 -2.232 103 1HG2 VAL 12 HG23 VAL 12 -3.324 -1.402 -1.402 104 2HG2 VAL 12 HG22 VAL 12 -3.007 -3.014 -3.014 105 3HG2 VAL 12 HG21 VAL 12 -2.133 -2.443 -2.443 106 H ARG 13 HN ARG 13 0.371 1.673 1.673 107 HA ARG 13 HA ARG 13 2.025 0.677 0.677 108 1HB ARG 13 HB2 ARG 13 2.076 2.962 2.962 109 2HB ARG 13 HB1 ARG 13 2.087 2.990 2.990 110 1HG ARG 13 HG2 ARG 13 -0.221 3.572 3.572 111 2HG ARG 13 HG1 ARG 13 -0.468 3.210 3.210 112 1HD ARG 13 HD2 ARG 13 1.629 5.216 5.216 113 2HD ARG 13 HD1 ARG 13 -0.013 5.718 5.718 114 HE ARG 13 HE ARG 13 0.657 4.664 4.664 115 1HH1 ARG 13 HH21 ARG 13 -2.050 5.666 5.666 116 2HH1 ARG 13 HH22 ARG 13 -2.249 7.143 7.143 117 1HH2 ARG 13 HH11 ARG 13 0.976 7.118 7.118 118 2HH2 ARG 13 HH12 ARG 13 -0.531 7.967 7.967 119 H GLU 14 HN GLU 14 -1.375 1.555 1.555 120 HA GLU 14 HA GLU 14 -2.705 1.262 1.262 121 1HB GLU 14 HB2 GLU 14 -0.941 -1.205 -1.205 122 2HB GLU 14 HB1 GLU 14 -2.405 -0.992 -0.992 123 1HG GLU 14 HG2 GLU 14 -3.068 -0.356 -0.356 124 2HG GLU 14 HG1 GLU 14 -2.171 -1.875 -1.875 125 H GLU 15 HN GLU 15 -0.062 2.704 2.704 126 HA GLU 15 HA GLU 15 0.569 2.065 2.065 127 1HB GLU 15 HB2 GLU 15 2.058 3.233 3.233 128 2HB GLU 15 HB1 GLU 15 2.311 4.057 4.057 129 1HG GLU 15 HG2 GLU 15 2.407 1.064 1.064 130 2HG GLU 15 HG1 GLU 15 3.794 1.965 1.965 131 H VAL 16 HN VAL 16 -0.624 3.251 3.251 132 HA VAL 16 HA VAL 16 -2.183 5.518 5.518 133 HB VAL 16 HB VAL 16 -0.811 5.029 5.029 134 1HG1 VAL 16 HG12 VAL 16 -2.426 7.098 7.098 135 2HG1 VAL 16 HG11 VAL 16 -3.605 5.962 5.962 136 3HG1 VAL 16 HG13 VAL 16 -2.280 6.538 6.538 137 1HG2 VAL 16 HG22 VAL 16 -2.527 3.285 3.285 138 2HG2 VAL 16 HG21 VAL 16 -2.024 3.144 3.144 139 3HG2 VAL 16 HG23 VAL 16 -3.504 4.010 4.010 140 H GLU 17 HN GLU 17 -1.440 7.413 7.413 141 HA GLU 17 HA GLU 17 1.281 8.232 8.232 142 1HB GLU 17 HB2 GLU 17 -1.123 9.181 9.181 143 2HB GLU 17 HB1 GLU 17 -0.532 10.498 10.498 144 1HG GLU 17 HG2 GLU 17 1.117 9.047 9.047 145 2HG GLU 17 HG1 GLU 17 0.378 10.634 10.634 146 H ILE 18 HN ILE 18 -1.357 8.958 8.958 147 HA ILE 18 HA ILE 18 0.015 11.002 11.002 148 HB ILE 18 HB ILE 18 -2.202 9.094 9.094 149 1HG1 ILE 18 HG12 ILE 18 -2.756 10.685 10.685 150 2HG1 ILE 18 HG11 ILE 18 -3.616 11.094 11.094 151 1HG2 ILE 18 HG21 ILE 18 -0.914 11.406 11.406 152 2HG2 ILE 18 HG23 ILE 18 -2.568 10.902 10.902 153 3HG2 ILE 18 HG22 ILE 18 -1.232 9.778 9.778 154 1HD1 ILE 18 HD12 ILE 18 -1.317 12.520 12.520 155 2HD1 ILE 18 HD11 ILE 18 -1.486 12.581 12.581 156 3HD1 ILE 18 HD13 ILE 18 -2.783 13.181 13.181 157 H LEU 19 HN LEU 19 -0.423 7.511 7.511 158 HA LEU 19 HA LEU 19 1.277 7.570 7.570 159 1HB LEU 19 HB2 LEU 19 -0.209 5.582 5.582 160 2HB LEU 19 HB1 LEU 19 1.363 4.960 4.960 161 HG LEU 19 HG LEU 19 -0.469 6.421 6.421 162 1HD1 LEU 19 HD13 LEU 19 -1.611 4.406 4.406 163 2HD1 LEU 19 HD12 LEU 19 -0.263 3.421 3.421 164 3HD1 LEU 19 HD11 LEU 19 -1.289 4.266 4.266 165 1HD2 LEU 19 HD22 LEU 19 2.120 4.984 4.984 166 2HD2 LEU 19 HD21 LEU 19 1.508 6.284 6.284 167 3HD2 LEU 19 HD23 LEU 19 0.999 4.620 4.620 168 H LYS 20 HN LYS 20 1.935 7.322 7.322 169 HA LYS 20 HA LYS 20 4.614 6.222 6.222 170 1HB LYS 20 HB2 LYS 20 3.037 6.270 6.270 171 2HB LYS 20 HB1 LYS 20 3.783 7.846 7.846 172 1HG LYS 20 HG2 LYS 20 5.847 5.992 5.992 173 2HG LYS 20 HG1 LYS 20 4.868 5.272 5.272 174 1HD LYS 20 HD2 LYS 20 5.052 7.714 7.714 175 2HD LYS 20 HD1 LYS 20 6.514 7.769 7.769 176 1HE LYS 20 HE2 LYS 20 6.820 5.325 5.325 177 2HE LYS 20 HE1 LYS 20 5.906 6.112 6.112 178 1HZ LYS 20 HZ2 LYS 20 7.857 7.894 7.894 179 2HZ LYS 20 HZ1 LYS 20 8.613 6.405 6.405 180 3HZ LYS 20 HZ3 LYS 20 7.730 7.175 7.175 181 H GLU 21 HN GLU 21 3.165 9.423 9.423 182 HA GLU 21 HA GLU 21 5.741 10.799 10.799 183 1HB GLU 21 HB2 GLU 21 3.947 11.936 11.936 184 2HB GLU 21 HB1 GLU 21 2.871 11.734 11.734 185 1HG GLU 21 HG2 GLU 21 5.335 13.080 13.080 186 2HG GLU 21 HG1 GLU 21 4.499 13.949 13.949 187 H GLN 22 HN GLN 22 3.514 9.538 9.538 188 HA GLN 22 HA GLN 22 4.424 11.208 11.208 189 1HB GLN 22 HB2 GLN 22 2.467 9.032 9.032 190 2HB GLN 22 HB1 GLN 22 3.271 8.997 8.997 191 1HG GLN 22 HG2 GLN 22 2.022 11.504 11.504 192 2HG GLN 22 HG1 GLN 22 1.144 10.389 10.389 193 1HE2 GLN 22 HE22 GLN 22 2.910 11.342 11.342 194 2HE2 GLN 22 HE21 GLN 22 1.925 10.150 10.150 195 H ILE 23 HN ILE 23 5.110 8.007 8.007 196 HA ILE 23 HA ILE 23 6.966 7.309 7.309 197 HB ILE 23 HB ILE 23 6.467 6.108 6.108 198 1HG1 ILE 23 HG12 ILE 23 4.649 5.867 5.867 199 2HG1 ILE 23 HG11 ILE 23 5.393 4.318 4.318 200 1HG2 ILE 23 HG22 ILE 23 8.569 5.633 5.633 201 2HG2 ILE 23 HG21 ILE 23 7.750 4.182 4.182 202 3HG2 ILE 23 HG23 ILE 23 8.560 5.252 5.252 203 1HD1 ILE 23 HD11 ILE 23 6.952 5.309 5.309 204 2HD1 ILE 23 HD13 ILE 23 5.299 5.711 5.711 205 3HD1 ILE 23 HD12 ILE 23 5.736 4.038 4.038 206 H ARG 24 HN ARG 24 7.085 8.839 8.839 207 HA ARG 24 HA ARG 24 9.993 8.807 8.807 208 1HB ARG 24 HB2 ARG 24 7.820 10.356 10.356 209 2HB ARG 24 HB1 ARG 24 9.536 10.576 10.576 210 1HG ARG 24 HG2 ARG 24 8.652 7.761 7.761 211 2HG ARG 24 HG1 ARG 24 7.946 8.722 8.722 212 1HD ARG 24 HD2 ARG 24 10.029 9.200 9.200 213 2HD ARG 24 HD1 ARG 24 10.897 8.886 8.886 214 HE ARG 24 HE ARG 24 9.842 6.423 6.423 215 1HH1 ARG 24 HH21 ARG 24 10.045 7.769 7.769 216 2HH1 ARG 24 HH22 ARG 24 11.545 7.093 7.093 217 1HH2 ARG 24 HH11 ARG 24 12.473 5.973 5.973 218 2HH2 ARG 24 HH12 ARG 24 12.922 6.077 6.077 219 H GLU 25 HN GLU 25 7.516 10.914 10.914 220 HA GLU 25 HA GLU 25 9.408 13.092 13.092 221 1HB GLU 25 HB2 GLU 25 7.056 13.638 13.638 222 2HB GLU 25 HB1 GLU 25 6.544 12.663 12.663 223 1HG GLU 25 HG2 GLU 25 7.808 14.134 14.134 224 2HG GLU 25 HG1 GLU 25 8.335 15.106 15.106 225 H LEU 26 HN LEU 26 8.203 10.238 10.238 226 HA LEU 26 HA LEU 26 8.956 11.033 11.033 227 1HB LEU 26 HB2 LEU 26 7.625 8.785 8.785 228 2HB LEU 26 HB1 LEU 26 8.847 8.226 8.226 229 HG LEU 26 HG LEU 26 6.921 10.411 10.411 230 1HD1 LEU 26 HD12 LEU 26 6.475 7.414 7.414 231 2HD1 LEU 26 HD11 LEU 26 5.539 8.562 8.562 232 3HD1 LEU 26 HD13 LEU 26 5.471 8.620 8.620 233 1HD2 LEU 26 HD23 LEU 26 9.021 8.836 8.836 234 2HD2 LEU 26 HD22 LEU 26 8.190 10.266 10.266 235 3HD2 LEU 26 HD21 LEU 26 7.498 8.665 8.665 236 H VAL 27 HN VAL 27 10.349 9.204 9.204 237 HA VAL 27 HA VAL 27 12.708 8.408 8.408 238 HB VAL 27 HB VAL 27 13.553 7.606 7.606 239 1HG1 VAL 27 HG11 VAL 27 10.741 7.001 7.001 240 2HG1 VAL 27 HG13 VAL 27 11.366 6.254 6.254 241 3HG1 VAL 27 HG12 VAL 27 12.175 5.975 5.975 242 1HG2 VAL 27 HG23 VAL 27 11.594 9.541 9.541 243 2HG2 VAL 27 HG22 VAL 27 12.952 8.813 8.813 244 3HG2 VAL 27 HG21 VAL 27 11.401 7.975 7.975 245 H GLU 28 HN GLU 28 11.757 11.080 11.080 246 HA GLU 28 HA GLU 28 14.492 12.109 12.109 247 1HB GLU 28 HB2 GLU 28 13.592 13.845 13.845 248 2HB GLU 28 HB1 GLU 28 12.506 12.503 12.503 249 1HG GLU 28 HG2 GLU 28 10.976 13.359 13.359 250 2HG GLU 28 HG1 GLU 28 12.023 14.769 14.769 251 H LYS 29 HN LYS 29 11.694 12.516 12.516 252 HA LYS 29 HA LYS 29 12.804 14.824 14.824 253 1HB LYS 29 HB2 LYS 29 10.287 14.131 14.131 254 2HB LYS 29 HB1 LYS 29 10.632 13.040 13.040 255 1HG LYS 29 HG2 LYS 29 10.963 14.761 14.761 256 2HG LYS 29 HG1 LYS 29 11.539 15.873 15.873 257 1HD LYS 29 HD2 LYS 29 9.472 16.716 16.716 258 2HD LYS 29 HD1 LYS 29 8.788 15.102 15.102 259 1HE LYS 29 HE2 LYS 29 7.714 15.640 15.640 260 2HE LYS 29 HE1 LYS 29 9.225 15.077 15.077 261 1HZ LYS 29 HZ2 LYS 29 8.877 17.889 17.889 262 2HZ LYS 29 HZ1 LYS 29 8.351 17.353 17.353 263 3HZ LYS 29 HZ3 LYS 29 9.990 17.236 17.236 264 H ASN 30 HN ASN 30 12.909 11.368 11.368 265 HA ASN 30 HA ASN 30 13.911 11.208 11.208 266 1HB ASN 30 HB2 ASN 30 13.181 9.363 9.363 267 2HB ASN 30 HB1 ASN 30 14.692 8.893 8.893 268 1HD2 ASN 30 HD22 ASN 30 13.168 8.173 8.173 269 2HD2 ASN 30 HD21 ASN 30 14.634 8.546 8.546 270 H SER 31 HN SER 31 15.249 11.239 11.239 271 HA SER 31 HA SER 31 17.991 10.850 10.850 272 1HB SER 31 HB2 SER 31 16.922 10.462 10.462 273 2HB SER 31 HB1 SER 31 17.261 12.175 12.175 274 HG SER 31 HG SER 31 19.246 10.490 10.490 275 H GLN 32 HN GLN 32 15.865 13.579 13.579 276 HA GLN 32 HA GLN 32 17.963 15.582 15.582 277 1HB GLN 32 HB2 GLN 32 15.660 15.877 15.877 278 2HB GLN 32 HB1 GLN 32 15.016 15.996 15.996 279 1HG GLN 32 HG2 GLN 32 16.593 17.871 17.871 280 2HG GLN 32 HG1 GLN 32 17.135 17.786 17.786 281 1HE2 GLN 32 HE22 GLN 32 14.271 19.429 19.429 282 2HE2 GLN 32 HE21 GLN 32 15.698 18.587 18.587 283 H LEU 33 HN LEU 33 15.708 14.066 14.066 284 HA LEU 33 HA LEU 33 16.600 15.735 15.735 285 1HB LEU 33 HB2 LEU 33 14.510 13.732 13.732 286 2HB LEU 33 HB1 LEU 33 15.291 13.541 13.541 287 HG LEU 33 HG LEU 33 14.788 16.342 16.342 288 1HD1 LEU 33 HD12 LEU 33 12.409 14.460 14.460 289 2HD1 LEU 33 HD11 LEU 33 12.315 16.216 16.216 290 3HD1 LEU 33 HD13 LEU 33 12.913 15.478 15.478 291 1HD2 LEU 33 HD23 LEU 33 13.962 14.365 14.365 292 2HD2 LEU 33 HD22 LEU 33 15.231 15.586 15.586 293 3HD2 LEU 33 HD21 LEU 33 13.537 16.076 16.076 294 H GLU 34 HN GLU 34 17.584 12.866 12.866 295 HA GLU 34 HA GLU 34 19.019 11.727 11.727 296 1HB GLU 34 HB2 GLU 34 18.161 10.311 10.311 297 2HB GLU 34 HB1 GLU 34 19.296 11.118 11.118 298 1HG GLU 34 HG2 GLU 34 21.173 10.359 10.359 299 2HG GLU 34 HG1 GLU 34 20.016 9.490 9.490 300 H ARG 35 HN ARG 35 19.660 13.800 13.800 301 HA ARG 35 HA ARG 35 22.541 13.911 13.911 302 1HB ARG 35 HB2 ARG 35 20.668 15.341 15.341 303 2HB ARG 35 HB1 ARG 35 22.340 15.872 15.872 304 1HG ARG 35 HG2 ARG 35 22.537 13.103 13.103 305 2HG ARG 35 HG1 ARG 35 21.298 13.569 13.569 306 1HD ARG 35 HD2 ARG 35 22.881 15.396 15.396 307 2HD ARG 35 HD1 ARG 35 24.125 14.632 14.632 308 HE ARG 35 HE ARG 35 22.840 13.388 13.388 309 1HH1 ARG 35 HH11 ARG 35 24.179 12.029 12.029 310 2HH1 ARG 35 HH12 ARG 35 25.621 11.436 11.436 311 1HH2 ARG 35 HH21 ARG 35 25.162 13.258 13.258 312 2HH2 ARG 35 HH22 ARG 35 26.177 12.133 12.133 313 H GLU 36 HN GLU 36 19.647 15.773 15.773 314 HA GLU 36 HA GLU 36 21.083 18.037 18.037 315 1HB GLU 36 HB2 GLU 36 18.437 17.526 17.526 316 2HB GLU 36 HB1 GLU 36 18.381 17.595 17.595 317 1HG GLU 36 HG2 GLU 36 19.643 19.702 19.702 318 2HG GLU 36 HG1 GLU 36 18.055 19.835 19.835 319 H ASN 37 HN ASN 37 19.819 14.973 14.973 320 HA ASN 37 HA ASN 37 20.172 15.517 15.517 321 1HB ASN 37 HB2 ASN 37 18.585 13.838 13.838 322 2HB ASN 37 HB1 ASN 37 19.505 13.114 13.114 323 1HD2 ASN 37 HD22 ASN 37 21.158 10.837 10.837 324 2HD2 ASN 37 HD21 ASN 37 20.795 11.331 11.331 325 H THR 38 HN THR 38 22.050 14.053 14.053 326 HA THR 38 HA THR 38 24.180 13.142 13.142 327 HB THR 38 HB THR 38 25.438 12.862 12.862 328 HG1 THR 38 HG1 THR 38 24.601 13.646 13.646 329 1HG2 THR 38 HG22 THR 38 22.970 11.550 11.550 330 2HG2 THR 38 HG21 THR 38 23.272 11.360 11.360 331 3HG2 THR 38 HG23 THR 38 24.485 10.837 10.837 332 H LEU 39 HN LEU 39 23.334 16.048 16.048 333 HA LEU 39 HA LEU 39 25.980 17.270 17.270 334 1HB LEU 39 HB2 LEU 39 24.084 17.817 17.817 335 2HB LEU 39 HB1 LEU 39 23.399 18.782 18.782 336 HG LEU 39 HG LEU 39 25.881 19.714 19.714 337 1HD1 LEU 39 HD12 LEU 39 26.117 17.996 17.996 338 2HD1 LEU 39 HD11 LEU 39 25.938 19.584 19.584 339 3HD1 LEU 39 HD13 LEU 39 27.236 19.295 19.295 340 1HD2 LEU 39 HD23 LEU 39 23.882 20.499 20.499 341 2HD2 LEU 39 HD22 LEU 39 23.899 21.077 21.077 342 3HD2 LEU 39 HD21 LEU 39 25.205 21.518 21.518 343 H LEU 40 HN LEU 40 22.970 17.209 17.209 344 HA LEU 40 HA LEU 40 23.746 19.310 19.310 345 1HB LEU 40 HB2 LEU 40 21.567 17.228 17.228 346 2HB LEU 40 HB1 LEU 40 21.846 18.178 18.178 347 HG LEU 40 HG LEU 40 21.581 19.545 19.545 348 1HD1 LEU 40 HD12 LEU 40 19.609 17.883 17.883 349 2HD1 LEU 40 HD11 LEU 40 19.179 19.312 19.312 350 3HD1 LEU 40 HD13 LEU 40 19.288 19.412 19.412 351 1HD2 LEU 40 HD23 LEU 40 21.207 20.269 20.269 352 2HD2 LEU 40 HD22 LEU 40 22.318 20.986 20.986 353 3HD2 LEU 40 HD21 LEU 40 20.584 21.289 21.289 354 H LYS 41 HN LYS 41 23.767 15.755 15.755 355 HA LYS 41 HA LYS 41 24.832 15.561 15.561 356 1HB LYS 41 HB2 LYS 41 23.668 13.664 13.664 357 2HB LYS 41 HB1 LYS 41 24.914 13.574 13.574 358 1HG LYS 41 HG2 LYS 41 26.303 13.564 13.564 359 2HG LYS 41 HG1 LYS 41 24.939 12.468 12.468 360 1HD LYS 41 HD2 LYS 41 25.664 11.000 11.000 361 2HD LYS 41 HD1 LYS 41 26.469 12.265 12.265 362 1HE LYS 41 HE2 LYS 41 28.198 10.909 10.909 363 2HE LYS 41 HE1 LYS 41 28.163 12.431 12.431 364 1HZ LYS 41 HZ2 LYS 41 26.414 11.024 11.024 365 2HZ LYS 41 HZ1 LYS 41 27.410 9.759 9.759 366 3HZ LYS 41 HZ3 LYS 41 28.077 11.039 11.039 367 H THR 42 HN THR 42 26.225 15.806 15.806 368 HA THR 42 HA THR 42 28.938 15.209 15.209 369 HB THR 42 HB THR 42 27.803 16.823 16.823 370 HG1 THR 42 HG1 THR 42 29.004 14.276 14.276 371 1HG2 THR 42 HG23 THR 42 30.581 16.274 16.274 372 2HG2 THR 42 HG22 THR 42 30.246 16.006 16.006 373 3HG2 THR 42 HG21 THR 42 29.948 17.588 17.588 374 H LEU 43 HN LEU 43 27.168 18.280 18.280 375 HA LEU 43 HA LEU 43 29.399 19.914 19.914 376 1HB LEU 43 HB2 LEU 43 26.683 20.319 20.319 377 2HB LEU 43 HB1 LEU 43 27.019 21.342 21.342 378 HG LEU 43 HG LEU 43 29.002 21.142 21.142 379 1HD1 LEU 43 HD11 LEU 43 26.443 22.728 22.728 380 2HD1 LEU 43 HD13 LEU 43 27.844 23.357 23.357 381 3HD1 LEU 43 HD12 LEU 43 27.121 21.823 21.823 382 1HD2 LEU 43 HD23 LEU 43 29.302 22.258 22.258 383 2HD2 LEU 43 HD22 LEU 43 29.907 23.073 23.073 384 3HD2 LEU 43 HD21 LEU 43 28.373 23.569 23.569 385 H ALA 44 HN ALA 44 26.919 18.138 18.138 386 HA ALA 44 HA ALA 44 27.453 19.594 19.594 387 1HB ALA 44 HB2 ALA 44 25.098 18.869 18.869 388 2HB ALA 44 HB1 ALA 44 25.577 17.256 17.256 389 3HB ALA 44 HB3 ALA 44 25.507 18.578 18.578 390 H SER 45 HN SER 45 29.001 17.273 17.273 391 HA SER 45 HA SER 45 29.288 15.240 15.240 392 1HB SER 45 HB2 SER 45 31.450 15.386 15.386 393 2HB SER 45 HB1 SER 45 30.353 14.059 14.059 394 HG SER 45 HG SER 45 29.280 14.608 14.608 395 HA PRO 46 HA PRO 46 33.496 17.399 17.399 396 1HB PRO 46 HB2 PRO 46 33.924 19.788 19.788 397 2HB PRO 46 HB1 PRO 46 34.362 18.210 18.210 398 1HG PRO 46 HG2 PRO 46 32.093 20.002 20.002 399 2HG PRO 46 HG1 PRO 46 32.933 18.797 18.797 400 1HD PRO 46 HD2 PRO 46 30.413 18.462 18.462 401 2HD PRO 46 HD1 PRO 46 31.406 17.170 17.170 402 H GLU 47 HN GLU 47 31.889 20.478 20.478 403 HA GLU 47 HA GLU 47 31.144 22.207 22.207 404 1HB GLU 47 HB2 GLU 47 30.618 20.134 20.134 405 2HB GLU 47 HB1 GLU 47 29.687 21.582 21.582 406 1HG GLU 47 HG2 GLU 47 29.664 20.100 20.100 407 2HG GLU 47 HG1 GLU 47 29.452 18.894 18.894 408 H GLN 48 HN GLN 48 31.539 23.182 23.182 409 HA GLN 48 HA GLN 48 34.017 22.220 22.220 410 1HB GLN 48 HB2 GLN 48 34.875 24.654 24.654 411 2HB GLN 48 HB1 GLN 48 35.021 23.705 23.705 412 1HG GLN 48 HG2 GLN 48 32.428 25.000 25.000 413 2HG GLN 48 HG1 GLN 48 33.729 26.183 26.183 414 1HE2 GLN 48 HE22 GLN 48 33.787 26.087 26.087 415 2HE2 GLN 48 HE21 GLN 48 33.359 27.000 27.000 416 H LEU 49 HN LEU 49 32.559 21.820 21.820 417 HA LEU 49 HA LEU 49 31.399 24.228 24.228 418 1HB LEU 49 HB2 LEU 49 30.686 21.454 21.454 419 2HB LEU 49 HB1 LEU 49 29.827 22.905 22.905 420 HG LEU 49 HG LEU 49 29.198 23.120 23.120 421 1HD1 LEU 49 HD11 LEU 49 31.048 20.800 20.800 422 2HD1 LEU 49 HD13 LEU 49 29.641 20.955 20.955 423 3HD1 LEU 49 HD12 LEU 49 30.854 22.231 22.231 424 1HD2 LEU 49 HD21 LEU 49 28.379 21.149 21.149 425 2HD2 LEU 49 HD23 LEU 49 27.476 21.725 21.725 426 3HD2 LEU 49 HD22 LEU 49 28.525 20.314 20.314 427 H GLU 50 HN GLU 50 33.455 21.481 21.481 428 HA GLU 50 HA GLU 50 35.450 22.308 22.308 429 1HB GLU 50 HB2 GLU 50 34.735 22.341 22.341 430 2HB GLU 50 HB1 GLU 50 34.191 23.722 23.722 431 1HG GLU 50 HG2 GLU 50 32.041 22.190 22.190 432 2HG GLU 50 HG1 GLU 50 32.622 21.462 21.462 433 H LYS 51 HN LYS 51 32.718 20.200 20.200 434 HA LYS 51 HA LYS 51 34.105 17.867 17.867 435 1HB LYS 51 HB2 LYS 51 34.958 16.976 16.976 436 2HB LYS 51 HB1 LYS 51 35.288 18.690 18.690 437 1HG LYS 51 HG2 LYS 51 32.901 17.254 17.254 438 2HG LYS 51 HG1 LYS 51 34.382 17.603 17.603 439 1HD LYS 51 HD2 LYS 51 33.704 19.709 19.709 440 2HD LYS 51 HD1 LYS 51 33.449 19.989 19.989 441 1HE LYS 51 HE2 LYS 51 31.364 18.280 18.280 442 2HE LYS 51 HE1 LYS 51 31.488 19.566 19.566 443 1HZ LYS 51 HZ2 LYS 51 31.440 20.159 20.159 444 2HZ LYS 51 HZ1 LYS 51 30.003 19.964 19.964 445 3HZ LYS 51 HZ3 LYS 51 31.084 21.200 21.200 446 H PHE 52 HN PHE 52 32.643 16.159 16.159 447 HA PHE 52 HA PHE 52 30.370 15.628 15.628 448 1HB PHE 52 HB2 PHE 52 28.837 16.587 16.587 449 2HB PHE 52 HB1 PHE 52 29.224 17.547 17.547 450 HD1 PHE 52 HD1 PHE 52 30.552 16.707 16.707 451 HD2 PHE 52 HD2 PHE 52 30.543 19.490 19.490 452 HE1 PHE 52 HE1 PHE 52 32.004 18.223 18.223 453 HE2 PHE 52 HE2 PHE 52 31.987 20.954 20.954 454 HZ PHE 52 HZ PHE 52 32.736 20.336 20.336 455 H GLN 53 HN GLN 53 31.785 15.636 15.636 456 HA GLN 53 HA GLN 53 30.192 13.284 13.284 457 1HB GLN 53 HB2 GLN 53 30.651 13.862 13.862 458 2HB GLN 53 HB1 GLN 53 30.624 15.438 15.438 459 1HG GLN 53 HG2 GLN 53 33.238 14.785 14.785 460 2HG GLN 53 HG1 GLN 53 32.898 13.967 13.967 461 1HE2 GLN 53 HE22 GLN 53 33.443 17.897 17.897 462 2HE2 GLN 53 HE21 GLN 53 33.952 16.891 16.891 463 H SER 54 HN SER 54 32.358 12.433 12.433 464 HA SER 54 HA SER 54 33.934 10.934 10.934 465 1HB SER 54 HB2 SER 54 34.161 9.915 9.915 466 2HB SER 54 HB1 SER 54 33.576 9.107 9.107 467 HG SER 54 HG SER 54 32.048 9.500 9.500 468 H ARG 55 HN ARG 55 34.746 13.662 13.662 469 HA ARG 55 HA ARG 55 37.386 12.754 12.754 470 1HB ARG 55 HB2 ARG 55 37.383 15.205 15.205 471 2HB ARG 55 HB1 ARG 55 36.708 13.836 13.836 472 1HG ARG 55 HG2 ARG 55 34.507 14.492 14.492 473 2HG ARG 55 HG1 ARG 55 34.929 15.449 15.449 474 1HD ARG 55 HD2 ARG 55 34.433 16.545 16.545 475 2HD ARG 55 HD1 ARG 55 35.502 17.286 17.286 476 HE ARG 55 HE ARG 55 37.412 16.274 16.274 477 1HH1 ARG 55 HH11 ARG 55 35.844 14.246 14.246 478 2HH1 ARG 55 HH12 ARG 55 35.767 14.979 14.979 479 1HH2 ARG 55 HH21 ARG 55 36.648 18.132 18.132 480 2HH2 ARG 55 HH22 ARG 55 36.213 17.182 17.182 481 H LEU 56 HN LEU 56 35.817 15.607 15.607 482 HA LEU 56 HA LEU 56 38.321 16.482 16.482 483 1HB LEU 56 HB2 LEU 56 36.163 17.513 17.513 484 2HB LEU 56 HB1 LEU 56 37.135 18.363 18.363 485 HG LEU 56 HG LEU 56 35.561 17.354 17.354 486 1HD1 LEU 56 HD11 LEU 56 34.411 16.316 16.316 487 2HD1 LEU 56 HD13 LEU 56 33.235 17.196 17.196 488 3HD1 LEU 56 HD12 LEU 56 34.088 15.817 15.817 489 1HD2 LEU 56 HD23 LEU 56 35.537 19.703 19.703 490 2HD2 LEU 56 HD22 LEU 56 34.248 19.240 19.240 491 3HD2 LEU 56 HD21 LEU 56 34.019 19.072 19.072 492 H SER 57 HN SER 57 35.396 14.955 14.955 493 HA SER 57 HA SER 57 37.085 13.766 13.766 494 1HB SER 57 HB2 SER 57 35.896 15.474 15.474 495 2HB SER 57 HB1 SER 57 34.418 15.168 15.168 496 HG SER 57 HG SER 57 34.873 14.240 14.240 497 HA PRO 58 HA PRO 58 35.145 10.066 10.066 498 1HB PRO 58 HB2 PRO 58 35.526 8.560 8.560 499 2HB PRO 58 HB1 PRO 58 36.796 8.936 8.936 500 1HG PRO 58 HG2 PRO 58 36.366 10.070 10.070 501 2HG PRO 58 HG1 PRO 58 37.870 9.922 9.922 502 1HD PRO 58 HD2 PRO 58 36.342 12.287 12.287 503 2HD PRO 58 HD1 PRO 58 37.656 12.037 12.037 504 H GLU 59 HN GLU 59 32.992 10.003 10.003 505 HA GLU 59 HA GLU 59 30.700 10.033 10.033 506 1HB GLU 59 HB2 GLU 59 32.058 8.246 8.246 507 2HB GLU 59 HB1 GLU 59 30.383 8.686 8.686 508 1HG GLU 59 HG2 GLU 59 29.681 7.197 7.197 509 2HG GLU 59 HG1 GLU 59 30.581 8.057 8.057 510 H GLU 60 HN GLU 60 29.168 10.437 10.437 511 HA GLU 60 HA GLU 60 29.756 11.843 11.843 512 1HB GLU 60 HB2 GLU 60 31.148 13.463 13.463 513 2HB GLU 60 HB1 GLU 60 30.104 13.651 13.651 514 1HG GLU 60 HG2 GLU 60 28.906 15.266 15.266 515 2HG GLU 60 HG1 GLU 60 28.667 14.255 14.255 516 HA PRO 61 HA PRO 61 25.495 13.329 13.329 517 1HB PRO 61 HB2 PRO 61 24.780 12.698 12.698 518 2HB PRO 61 HB1 PRO 61 25.591 14.209 14.209 519 1HG PRO 61 HG2 PRO 61 26.711 11.818 11.818 520 2HG PRO 61 HG1 PRO 61 27.243 13.506 13.506 521 1HD PRO 61 HD2 PRO 61 28.458 11.437 11.437 522 2HD PRO 61 HD1 PRO 61 28.779 13.176 13.176 523 H ALA 62 HN ALA 62 23.371 12.063 12.063 524 HA ALA 62 HA ALA 62 22.964 9.761 9.761 525 1HB ALA 62 HB3 ALA 62 21.679 11.009 11.009 526 2HB ALA 62 HB2 ALA 62 21.536 9.253 9.253 527 3HB ALA 62 HB1 ALA 62 20.950 10.136 10.136 528 HA PRO 63 HA PRO 63 25.411 6.632 6.632 529 1HB PRO 63 HB2 PRO 63 24.190 4.470 4.470 530 2HB PRO 63 HB1 PRO 63 25.312 5.540 5.540 531 1HG PRO 63 HG2 PRO 63 22.344 5.369 5.369 532 2HG PRO 63 HG1 PRO 63 23.527 5.921 5.921 533 1HD PRO 63 HD2 PRO 63 21.890 7.579 7.579 534 2HD PRO 63 HD1 PRO 63 23.279 8.105 8.105 535 H GLU 64 HN GLU 64 24.664 4.163 4.163 536 HA GLU 64 HA GLU 64 23.012 4.733 4.733 537 1HB GLU 64 HB2 GLU 64 24.946 3.192 3.192 538 2HB GLU 64 HB1 GLU 64 24.142 2.100 2.100 539 1HG GLU 64 HG2 GLU 64 22.199 2.023 2.023 540 2HG GLU 64 HG1 GLU 64 23.251 2.849 2.849 541 H THR 65 HN THR 65 21.018 5.300 5.300 542 HA THR 65 HA THR 65 19.663 3.105 3.105 543 HB THR 65 HB THR 65 17.930 4.748 4.748 544 HG1 THR 65 HG1 THR 65 19.351 6.277 6.277 545 1HG2 THR 65 HG21 THR 65 20.784 5.669 5.669 546 2HG2 THR 65 HG23 THR 65 19.457 6.647 6.647 547 3HG2 THR 65 HG22 THR 65 19.716 5.015 5.015 548 HA PRO 66 HA PRO 66 17.466 1.769 1.769 549 1HB PRO 66 HB2 PRO 66 15.504 0.353 0.353 550 2HB PRO 66 HB1 PRO 66 17.169 -0.226 -0.226 551 1HG PRO 66 HG2 PRO 66 15.819 0.863 0.863 552 2HG PRO 66 HG1 PRO 66 17.187 -0.257 -0.257 553 1HD PRO 66 HD2 PRO 66 17.347 2.513 2.513 554 2HD PRO 66 HD1 PRO 66 18.707 1.451 1.451 555 H GLU 67 HN GLU 67 14.806 1.453 1.453 556 HA GLU 67 HA GLU 67 13.765 4.215 4.215 557 1HB GLU 67 HB2 GLU 67 12.640 1.926 1.926 558 2HB GLU 67 HB1 GLU 67 12.177 3.626 3.626 559 1HG GLU 67 HG2 GLU 67 14.772 3.965 3.965 560 2HG GLU 67 HG1 GLU 67 14.676 2.285 2.285 561 H ALA 68 HN ALA 68 11.942 4.664 4.664 562 HA ALA 68 HA ALA 68 11.060 2.629 2.629 563 1HB ALA 68 HB3 ALA 68 10.975 5.485 5.485 564 2HB ALA 68 HB2 ALA 68 9.333 4.896 4.896 565 3HB ALA 68 HB1 ALA 68 10.604 4.476 4.476 566 HA PRO 69 HA PRO 69 7.355 1.324 1.324 567 1HB PRO 69 HB2 PRO 69 5.515 1.419 1.419 568 2HB PRO 69 HB1 PRO 69 6.795 0.197 0.197 569 1HG PRO 69 HG2 PRO 69 6.615 2.572 2.572 570 2HG PRO 69 HG1 PRO 69 7.459 1.036 1.036 571 1HD PRO 69 HD2 PRO 69 8.669 3.471 3.471 572 2HD PRO 69 HD1 PRO 69 9.417 1.863 1.863 573 H GLU 70 HN GLU 70 6.596 2.786 2.786 574 HA GLU 70 HA GLU 70 5.185 5.227 5.227 575 1HB GLU 70 HB2 GLU 70 5.617 4.657 4.657 576 2HB GLU 70 HB1 GLU 70 5.681 6.195 6.195 577 1HG GLU 70 HG2 GLU 70 7.939 5.905 5.905 578 2HG GLU 70 HG1 GLU 70 7.762 4.954 4.954 579 H ALA 71 HN ALA 71 3.319 5.745 5.745 580 HA ALA 71 HA ALA 71 1.134 5.188 5.188 581 1HB ALA 71 HB2 ALA 71 2.794 2.811 2.811 582 2HB ALA 71 HB1 ALA 71 1.046 2.583 2.583 583 3HB ALA 71 HB3 ALA 71 1.772 3.802 3.802 584 HA PRO 72 HA PRO 72 0.283 3.323 3.323 585 1HB PRO 72 HB2 PRO 72 -1.249 5.429 5.429 586 2HB PRO 72 HB1 PRO 72 0.508 5.345 5.345 587 1HG PRO 72 HG2 PRO 72 -1.079 7.005 7.005 588 2HG PRO 72 HG1 PRO 72 0.529 7.304 7.304 589 1HD PRO 72 HD2 PRO 72 -0.020 6.333 6.333 590 2HD PRO 72 HD1 PRO 72 1.565 6.334 6.334 591 H GLY 73 HN GLY 73 -1.681 2.267 2.267 592 1HA GLY 73 HA2 GLY 73 -4.179 3.031 3.031 593 2HA GLY 73 HA1 GLY 73 -3.521 1.469 1.469 594 H GLY 74 HN GLY 74 -4.236 3.274 3.274 595 1HA GLY 74 HA2 GLY 74 -4.806 0.687 0.687 596 2HA GLY 74 HA1 GLY 74 -4.644 2.248 2.248 597 H SER 75 HN SER 75 -6.638 1.452 1.452 598 HA SER 75 HA SER 75 -9.098 1.586 1.586 599 1HB SER 75 HB2 SER 75 -8.337 3.706 3.706 600 2HB SER 75 HB1 SER 75 -10.004 3.427 3.427 601 HG SER 75 HG SER 75 -7.821 3.989 3.989 602 H ALA 76 HN ALA 76 -10.659 0.324 0.324 603 HA ALA 76 HA ALA 76 -9.988 -0.964 -0.964 604 1HB ALA 76 HB2 ALA 76 -10.850 -2.320 -2.320 605 2HB ALA 76 HB1 ALA 76 -12.347 -1.388 -1.388 606 3HB ALA 76 HB3 ALA 76 -11.924 -2.408 -2.408 607 H VAL 77 HN VAL 77 -10.331 0.724 0.724 608 HA VAL 77 HA VAL 77 -13.189 1.570 1.570 609 HB VAL 77 HB VAL 77 -10.851 3.127 3.127 610 1HG1 VAL 77 HG11 VAL 77 -13.511 3.353 3.353 611 2HG1 VAL 77 HG13 VAL 77 -13.364 4.376 4.376 612 3HG1 VAL 77 HG12 VAL 77 -12.415 4.734 4.734 613 1HG2 VAL 77 HG22 VAL 77 -10.732 2.725 2.725 614 2HG2 VAL 77 HG21 VAL 77 -10.697 4.401 4.401 615 3HG2 VAL 77 HG23 VAL 77 -12.188 3.715 3.715 616 1H ACE 0 HA1 ACE 0 12.366 1.715 1.715 617 2H ACE 0 HA2 ACE 0 12.464 1.505 1.505 618 3H ACE 0 HA3 ACE 0 13.542 0.596 0.596 619 H MET 1 HN MET 1 10.018 1.116 1.116 620 HA MET 1 HA MET 1 9.651 -1.778 -1.778 621 1HB MET 1 HB2 MET 1 7.696 0.539 0.539 622 2HB MET 1 HB1 MET 1 7.287 -1.143 -1.143 623 1HG MET 1 HG2 MET 1 9.667 -0.222 -0.222 624 2HG MET 1 HG1 MET 1 8.209 0.680 0.680 625 1HE MET 1 HE2 MET 1 9.523 -0.477 -0.477 626 2HE MET 1 HE1 MET 1 7.863 -0.383 -0.383 627 3HE MET 1 HE3 MET 1 8.795 -1.870 -1.870 628 H ASP 2 HN ASP 2 10.330 -2.123 -2.123 629 HA ASP 2 HA ASP 2 7.981 -1.738 -1.738 630 1HB ASP 2 HB2 ASP 2 10.131 -0.387 -0.387 631 2HB ASP 2 HB1 ASP 2 10.828 -1.937 -1.937 632 H LEU 3 HN LEU 3 9.052 -4.003 -4.003 633 HA LEU 3 HA LEU 3 8.933 -6.107 -6.107 634 1HB LEU 3 HB2 LEU 3 11.234 -5.660 -5.660 635 2HB LEU 3 HB1 LEU 3 10.470 -6.576 -6.576 636 HG LEU 3 HG LEU 3 9.857 -8.243 -8.243 637 1HD1 LEU 3 HD12 LEU 3 11.721 -6.346 -6.346 638 2HD1 LEU 3 HD11 LEU 3 12.264 -8.019 -8.019 639 3HD1 LEU 3 HD13 LEU 3 10.684 -7.552 -7.552 640 1HD2 LEU 3 HD22 LEU 3 11.464 -8.474 -8.474 641 2HD2 LEU 3 HD21 LEU 3 11.703 -9.561 -9.561 642 3HD2 LEU 3 HD23 LEU 3 12.748 -8.155 -8.155 643 H VAL 4 HN VAL 4 8.886 -5.936 -5.936 644 HA VAL 4 HA VAL 4 7.131 -8.094 -8.094 645 HB VAL 4 HB VAL 4 6.688 -7.173 -7.173 646 1HG1 VAL 4 HG11 VAL 4 9.174 -7.650 -7.650 647 2HG1 VAL 4 HG13 VAL 4 9.360 -5.942 -5.942 648 3HG1 VAL 4 HG12 VAL 4 8.862 -7.086 -7.086 649 1HG2 VAL 4 HG23 VAL 4 7.217 -4.590 -4.590 650 2HG2 VAL 4 HG22 VAL 4 5.949 -4.990 -4.990 651 3HG2 VAL 4 HG21 VAL 4 7.593 -4.689 -4.689 652 H LYS 5 HN LYS 5 6.509 -4.870 -4.870 653 HA LYS 5 HA LYS 5 3.566 -5.290 -5.290 654 1HB LYS 5 HB2 LYS 5 5.123 -2.830 -2.830 655 2HB LYS 5 HB1 LYS 5 3.383 -2.920 -2.920 656 1HG LYS 5 HG2 LYS 5 5.075 -3.870 -3.870 657 2HG LYS 5 HG1 LYS 5 5.156 -2.139 -2.139 658 1HD LYS 5 HD2 LYS 5 2.422 -2.878 -2.878 659 2HD LYS 5 HD1 LYS 5 3.055 -3.613 -3.613 660 1HE LYS 5 HE2 LYS 5 3.076 -1.612 -1.612 661 2HE LYS 5 HE1 LYS 5 4.099 -0.944 -0.944 662 1HZ LYS 5 HZ1 LYS 5 2.048 -0.664 -0.664 663 2HZ LYS 5 HZ3 LYS 5 1.137 -1.113 -1.113 664 3HZ LYS 5 HZ2 LYS 5 2.088 0.294 0.294 665 H ASN 6 HN ASN 6 5.072 -6.881 -6.881 666 HA ASN 6 HA ASN 6 3.869 -5.898 -5.898 667 1HB ASN 6 HB2 ASN 6 6.706 -6.229 -6.229 668 2HB ASN 6 HB1 ASN 6 6.208 -7.164 -7.164 669 1HD2 ASN 6 HD22 ASN 6 5.621 -4.305 -4.305 670 2HD2 ASN 6 HD21 ASN 6 5.420 -5.985 -5.985 671 H HIS 7 HN HIS 7 5.457 -8.583 -8.583 672 HA HIS 7 HA HIS 7 4.387 -10.599 -10.599 673 1HB HIS 7 HB2 HIS 7 5.346 -12.185 -12.185 674 2HB HIS 7 HB1 HIS 7 6.517 -10.974 -10.974 675 HD1 HIS 7 HD1 HIS 7 7.322 -11.958 -11.958 676 HD2 HIS 7 HD2 HIS 7 4.347 -9.047 -9.047 677 HE1 HIS 7 HE1 HIS 7 7.195 -10.834 -10.834 678 H LEU 8 HN LEU 8 2.678 -8.739 -8.739 679 HA LEU 8 HA LEU 8 1.305 -10.175 -10.175 680 1HB LEU 8 HB2 LEU 8 0.331 -8.151 -8.151 681 2HB LEU 8 HB1 LEU 8 -0.785 -8.881 -8.881 682 HG LEU 8 HG LEU 8 0.519 -8.096 -8.096 683 1HD1 LEU 8 HD11 LEU 8 2.504 -7.155 -7.155 684 2HD1 LEU 8 HD13 LEU 8 2.614 -6.858 -6.858 685 3HD1 LEU 8 HD12 LEU 8 2.716 -8.502 -8.502 686 1HD2 LEU 8 HD21 LEU 8 -0.665 -6.365 -6.365 687 2HD2 LEU 8 HD23 LEU 8 -0.395 -6.038 -6.038 688 3HD2 LEU 8 HD22 LEU 8 0.823 -5.577 -5.577 689 H MET 9 HN MET 9 1.422 -10.840 -10.840 690 HA MET 9 HA MET 9 -0.953 -12.585 -12.585 691 1HB MET 9 HB2 MET 9 1.199 -12.471 -12.471 692 2HB MET 9 HB1 MET 9 -0.416 -13.162 -13.162 693 1HG MET 9 HG2 MET 9 -1.091 -10.668 -10.668 694 2HG MET 9 HG1 MET 9 0.434 -10.312 -10.312 695 1HE MET 9 HE3 MET 9 -2.462 -9.339 -9.339 696 2HE MET 9 HE2 MET 9 -1.156 -8.783 -8.783 697 3HE MET 9 HE1 MET 9 -2.619 -9.459 -9.459 698 H TYR 10 HN TYR 10 1.189 -12.915 -12.915 699 HA TYR 10 HA TYR 10 1.963 -15.732 -15.732 700 1HB TYR 10 HB2 TYR 10 4.197 -15.296 -15.296 701 2HB TYR 10 HB1 TYR 10 3.769 -13.667 -13.667 702 HD1 TYR 10 HD2 TYR 10 3.182 -11.928 -11.928 703 HD2 TYR 10 HD1 TYR 10 5.115 -15.713 -15.713 704 HE1 TYR 10 HE2 TYR 10 4.065 -11.121 -11.121 705 HE2 TYR 10 HE1 TYR 10 5.998 -14.894 -14.894 706 HH TYR 10 HH TYR 10 5.748 -11.553 -11.553 707 H ALA 11 HN ALA 11 1.685 -13.035 -13.035 708 HA ALA 11 HA ALA 11 0.603 -14.801 -14.801 709 1HB ALA 11 HB1 ALA 11 3.060 -14.033 -14.033 710 2HB ALA 11 HB3 ALA 11 2.383 -12.425 -12.425 711 3HB ALA 11 HB2 ALA 11 1.964 -13.739 -13.739 712 H VAL 12 HN VAL 12 0.366 -12.004 -12.004 713 HA VAL 12 HA VAL 12 -0.879 -10.072 -10.072 714 HB VAL 12 HB VAL 12 -2.617 -11.841 -11.841 715 1HG1 VAL 12 HG13 VAL 12 -2.675 -11.777 -11.777 716 2HG1 VAL 12 HG12 VAL 12 -4.062 -12.326 -12.326 717 3HG1 VAL 12 HG11 VAL 12 -2.522 -13.177 -13.177 718 1HG2 VAL 12 HG23 VAL 12 -2.969 -9.184 -9.184 719 2HG2 VAL 12 HG22 VAL 12 -4.008 -10.074 -10.074 720 3HG2 VAL 12 HG21 VAL 12 -4.274 -10.192 -10.192 721 H ARG 13 HN ARG 13 0.947 -10.500 -10.500 722 HA ARG 13 HA ARG 13 -0.089 -10.087 -10.087 723 1HB ARG 13 HB2 ARG 13 2.501 -9.786 -9.786 724 2HB ARG 13 HB1 ARG 13 2.309 -8.751 -8.751 725 1HG ARG 13 HG2 ARG 13 1.639 -10.745 -10.745 726 2HG ARG 13 HG1 ARG 13 1.934 -11.756 -11.756 727 1HD ARG 13 HD2 ARG 13 4.100 -11.884 -11.884 728 2HD ARG 13 HD1 ARG 13 4.240 -10.147 -10.147 729 HE ARG 13 HE ARG 13 3.899 -11.465 -11.465 730 1HH1 ARG 13 HH21 ARG 13 2.457 -9.647 -9.647 731 2HH1 ARG 13 HH22 ARG 13 3.282 -8.125 -8.125 732 1HH2 ARG 13 HH11 ARG 13 5.593 -9.045 -9.045 733 2HH2 ARG 13 HH12 ARG 13 5.056 -7.784 -7.784 734 H GLU 14 HN GLU 14 1.852 -7.423 -7.423 735 HA GLU 14 HA GLU 14 1.454 -5.112 -5.112 736 1HB GLU 14 HB2 GLU 14 -0.214 -4.274 -4.274 737 2HB GLU 14 HB1 GLU 14 0.618 -5.641 -5.641 738 1HG GLU 14 HG2 GLU 14 -1.214 -7.067 -7.067 739 2HG GLU 14 HG1 GLU 14 -1.891 -6.125 -6.125 740 H GLU 15 HN GLU 15 0.443 -6.671 -6.671 741 HA GLU 15 HA GLU 15 -2.259 -5.805 -5.805 742 1HB GLU 15 HB2 GLU 15 -1.859 -6.782 -6.782 743 2HB GLU 15 HB1 GLU 15 -1.179 -7.853 -7.853 744 1HG GLU 15 HG2 GLU 15 1.056 -6.850 -6.850 745 2HG GLU 15 HG1 GLU 15 0.368 -5.817 -5.817 746 H VAL 16 HN VAL 16 -2.847 -4.268 -4.268 747 HA VAL 16 HA VAL 16 -1.300 -1.830 -1.830 748 HB VAL 16 HB VAL 16 -3.506 -2.443 -2.443 749 1HG1 VAL 16 HG13 VAL 16 -2.077 -0.256 -0.256 750 2HG1 VAL 16 HG12 VAL 16 -3.018 0.116 0.116 751 3HG1 VAL 16 HG11 VAL 16 -3.833 -0.117 -0.117 752 1HG2 VAL 16 HG22 VAL 16 -3.615 -2.575 -2.575 753 2HG2 VAL 16 HG21 VAL 16 -4.926 -2.792 -2.792 754 3HG2 VAL 16 HG23 VAL 16 -4.545 -1.181 -1.181 755 H GLU 17 HN GLU 17 -0.866 -4.634 -4.634 756 HA GLU 17 HA GLU 17 -0.090 -3.508 -3.508 757 1HB GLU 17 HB2 GLU 17 -0.703 -5.936 -5.936 758 2HB GLU 17 HB1 GLU 17 0.864 -6.114 -6.114 759 1HG GLU 17 HG2 GLU 17 1.632 -4.915 -4.915 760 2HG GLU 17 HG1 GLU 17 0.227 -5.817 -5.817 761 H ILE 18 HN ILE 18 1.578 -4.231 -4.231 762 HA ILE 18 HA ILE 18 4.230 -3.722 -3.722 763 HB ILE 18 HB ILE 18 4.732 -3.384 -3.384 764 1HG1 ILE 18 HG12 ILE 18 2.052 -4.730 -4.730 765 2HG1 ILE 18 HG11 ILE 18 2.182 -2.971 -2.971 766 1HG2 ILE 18 HG21 ILE 18 4.193 -5.715 -5.715 767 2HG2 ILE 18 HG23 ILE 18 3.786 -6.043 -6.043 768 3HG2 ILE 18 HG22 ILE 18 5.409 -5.499 -5.499 769 1HD1 ILE 18 HD12 ILE 18 4.270 -3.955 -3.955 770 2HD1 ILE 18 HD11 ILE 18 2.845 -4.910 -4.910 771 3HD1 ILE 18 HD13 ILE 18 2.794 -3.151 -3.151 772 H LEU 19 HN LEU 19 1.623 -1.716 -1.716 773 HA LEU 19 HA LEU 19 3.365 0.624 0.624 774 1HB LEU 19 HB2 LEU 19 0.354 0.684 0.684 775 2HB LEU 19 HB1 LEU 19 1.416 1.753 1.753 776 HG LEU 19 HG LEU 19 1.108 -1.203 -1.203 777 1HD1 LEU 19 HD12 LEU 19 -0.210 1.191 1.191 778 2HD1 LEU 19 HD11 LEU 19 -0.272 -0.462 -0.462 779 3HD1 LEU 19 HD13 LEU 19 -1.028 -0.065 -0.065 780 1HD2 LEU 19 HD21 LEU 19 3.133 0.448 0.448 781 2HD2 LEU 19 HD23 LEU 19 2.565 -0.864 -0.864 782 3HD2 LEU 19 HD22 LEU 19 2.006 0.785 0.785 783 H LYS 20 HN LYS 20 1.065 -0.602 -0.602 784 HA LYS 20 HA LYS 20 1.235 1.749 1.749 785 1HB LYS 20 HB2 LYS 20 -0.699 0.148 0.148 786 2HB LYS 20 HB1 LYS 20 0.367 -1.061 -1.061 787 1HG LYS 20 HG2 LYS 20 0.596 1.434 1.434 788 2HG LYS 20 HG1 LYS 20 -1.095 0.936 0.936 789 1HD LYS 20 HD2 LYS 20 -0.093 -1.436 -1.436 790 2HD LYS 20 HD1 LYS 20 1.235 -0.469 -0.469 791 1HE LYS 20 HE2 LYS 20 -0.060 -0.361 -0.361 792 2HE LYS 20 HE1 LYS 20 -0.920 0.894 0.894 793 1HZ LYS 20 HZ2 LYS 20 -1.745 -1.788 -1.788 794 2HZ LYS 20 HZ1 LYS 20 -2.043 -1.354 -1.354 795 3HZ LYS 20 HZ3 LYS 20 -2.685 -0.419 -0.419 796 H GLU 21 HN GLU 21 3.028 -1.223 -1.223 797 HA GLU 21 HA GLU 21 4.429 -0.974 -0.974 798 1HB GLU 21 HB2 GLU 21 4.126 -2.999 -2.999 799 2HB GLU 21 HB1 GLU 21 5.830 -2.557 -2.557 800 1HG GLU 21 HG2 GLU 21 4.810 -2.728 -2.728 801 2HG GLU 21 HG1 GLU 21 4.694 -4.256 -4.256 802 H GLN 22 HN GLN 22 4.906 0.014 0.014 803 HA GLN 22 HA GLN 22 7.676 0.813 0.813 804 1HB GLN 22 HB2 GLN 22 5.635 0.955 0.955 805 2HB GLN 22 HB1 GLN 22 6.743 2.327 2.327 806 1HG GLN 22 HG2 GLN 22 8.144 -0.195 -0.195 807 2HG GLN 22 HG1 GLN 22 7.258 -0.177 -0.177 808 1HE2 GLN 22 HE22 GLN 22 10.379 1.387 1.387 809 2HE2 GLN 22 HE21 GLN 22 9.693 -0.150 -0.150 810 H ILE 23 HN ILE 23 4.520 2.434 2.434 811 HA ILE 23 HA ILE 23 5.699 5.043 5.043 812 HB ILE 23 HB ILE 23 3.520 4.949 4.949 813 1HG1 ILE 23 HG12 ILE 23 3.272 5.887 5.887 814 2HG1 ILE 23 HG11 ILE 23 3.961 6.830 6.830 815 1HG2 ILE 23 HG21 ILE 23 3.079 2.882 2.882 816 2HG2 ILE 23 HG23 ILE 23 1.825 4.108 4.108 817 3HG2 ILE 23 HG22 ILE 23 2.074 3.320 3.320 818 1HD1 ILE 23 HD11 ILE 23 1.394 5.833 5.833 819 2HD1 ILE 23 HD13 ILE 23 1.226 6.628 6.628 820 3HD1 ILE 23 HD12 ILE 23 1.907 7.508 7.508 821 H ARG 24 HN ARG 24 4.632 2.267 2.267 822 HA ARG 24 HA ARG 24 4.488 3.668 3.668 823 1HB ARG 24 HB2 ARG 24 4.262 0.859 0.859 824 2HB ARG 24 HB1 ARG 24 4.866 1.071 1.071 825 1HG ARG 24 HG2 ARG 24 2.593 2.814 2.814 826 2HG ARG 24 HG1 ARG 24 2.192 1.106 1.106 827 1HD ARG 24 HD2 ARG 24 3.619 2.216 2.216 828 2HD ARG 24 HD1 ARG 24 1.871 2.003 2.003 829 HE ARG 24 HE ARG 24 2.582 -0.486 -0.486 830 1HH1 ARG 24 HH11 ARG 24 5.169 1.118 1.118 831 2HH1 ARG 24 HH12 ARG 24 5.308 0.168 0.168 832 1HH2 ARG 24 HH21 ARG 24 2.286 -1.469 -1.469 833 2HH2 ARG 24 HH22 ARG 24 3.677 -1.297 -1.297 834 H GLU 25 HN GLU 25 6.897 1.792 1.792 835 HA GLU 25 HA GLU 25 8.847 1.891 1.891 836 1HB GLU 25 HB2 GLU 25 8.665 0.712 0.712 837 2HB GLU 25 HB1 GLU 25 10.270 1.339 1.339 838 1HG GLU 25 HG2 GLU 25 9.693 0.092 0.092 839 2HG GLU 25 HG1 GLU 25 8.791 -0.928 -0.928 840 H LEU 26 HN LEU 26 8.013 3.789 3.789 841 HA LEU 26 HA LEU 26 10.447 5.397 5.397 842 1HB LEU 26 HB2 LEU 26 7.987 5.269 5.269 843 2HB LEU 26 HB1 LEU 26 8.586 6.908 6.908 844 HG LEU 26 HG LEU 26 9.558 5.838 5.838 845 1HD1 LEU 26 HD12 LEU 26 10.776 7.439 7.439 846 2HD1 LEU 26 HD11 LEU 26 11.854 6.046 6.046 847 3HD1 LEU 26 HD13 LEU 26 11.587 6.857 6.857 848 1HD2 LEU 26 HD22 LEU 26 9.994 3.700 3.700 849 2HD2 LEU 26 HD21 LEU 26 10.108 3.654 3.654 850 3HD2 LEU 26 HD23 LEU 26 11.500 4.152 4.152 851 H VAL 27 HN VAL 27 7.232 5.508 5.508 852 HA VAL 27 HA VAL 27 7.546 8.250 8.250 853 HB VAL 27 HB VAL 27 5.485 6.106 6.106 854 1HG1 VAL 27 HG13 VAL 27 5.986 8.041 8.041 855 2HG1 VAL 27 HG12 VAL 27 5.142 9.044 9.044 856 3HG1 VAL 27 HG11 VAL 27 4.316 7.676 7.676 857 1HG2 VAL 27 HG21 VAL 27 5.856 7.562 7.562 858 2HG2 VAL 27 HG23 VAL 27 4.321 6.870 6.870 859 3HG2 VAL 27 HG22 VAL 27 4.700 8.553 8.553 860 H GLU 28 HN GLU 28 8.020 4.967 4.967 861 HA GLU 28 HA GLU 28 8.407 5.732 5.732 862 1HB GLU 28 HB2 GLU 28 7.979 3.325 3.325 863 2HB GLU 28 HB1 GLU 28 9.681 3.232 3.232 864 1HG GLU 28 HG2 GLU 28 8.930 4.006 4.006 865 2HG GLU 28 HG1 GLU 28 7.291 3.630 3.630 866 H LYS 29 HN LYS 29 10.357 5.286 5.286 867 HA LYS 29 HA LYS 29 12.914 5.490 5.490 868 1HB LYS 29 HB2 LYS 29 12.631 4.410 4.410 869 2HB LYS 29 HB1 LYS 29 12.270 6.002 6.002 870 1HG LYS 29 HG2 LYS 29 14.464 6.828 6.828 871 2HG LYS 29 HG1 LYS 29 14.828 5.305 5.305 872 1HD LYS 29 HD2 LYS 29 14.906 4.105 4.105 873 2HD LYS 29 HD1 LYS 29 14.131 5.419 5.419 874 1HE LYS 29 HE2 LYS 29 16.445 6.513 6.513 875 2HE LYS 29 HE1 LYS 29 16.934 4.995 4.995 876 1HZ LYS 29 HZ2 LYS 29 15.353 7.095 7.095 877 2HZ LYS 29 HZ1 LYS 29 17.039 6.937 6.937 878 3HZ LYS 29 HZ3 LYS 29 16.028 5.700 5.700 879 H ASN 30 HN ASN 30 10.724 7.672 7.672 880 HA ASN 30 HA ASN 30 12.441 9.997 9.997 881 1HB ASN 30 HB2 ASN 30 10.421 9.560 9.560 882 2HB ASN 30 HB1 ASN 30 9.465 10.218 10.218 883 1HD2 ASN 30 HD22 ASN 30 10.823 13.515 13.515 884 2HD2 ASN 30 HD21 ASN 30 10.073 12.440 12.440 885 H SER 31 HN SER 31 10.120 8.277 8.277 886 HA SER 31 HA SER 31 9.450 10.393 10.393 887 1HB SER 31 HB2 SER 31 9.156 7.412 7.412 888 2HB SER 31 HB1 SER 31 8.978 8.241 8.241 889 HG SER 31 HG SER 31 7.004 8.038 8.038 890 H GLN 32 HN GLN 32 11.720 7.620 7.620 891 HA GLN 32 HA GLN 32 12.856 8.478 8.478 892 1HB GLN 32 HB2 GLN 32 14.795 6.957 6.957 893 2HB GLN 32 HB1 GLN 32 13.214 6.191 6.191 894 1HG GLN 32 HG2 GLN 32 13.308 5.550 5.550 895 2HG GLN 32 HG1 GLN 32 13.397 7.239 7.239 896 1HE2 GLN 32 HE22 GLN 32 16.504 5.413 5.413 897 2HE2 GLN 32 HE21 GLN 32 14.846 5.124 5.124 898 H LEU 33 HN LEU 33 13.350 9.343 9.343 899 HA LEU 33 HA LEU 33 15.924 10.646 10.646 900 1HB LEU 33 HB2 LEU 33 14.014 10.322 10.322 901 2HB LEU 33 HB1 LEU 33 14.977 11.800 11.800 902 HG LEU 33 HG LEU 33 16.673 9.600 9.600 903 1HD1 LEU 33 HD13 LEU 33 14.623 9.001 9.001 904 2HD1 LEU 33 HD12 LEU 33 16.261 8.805 8.805 905 3HD1 LEU 33 HD11 LEU 33 15.750 7.914 7.914 906 1HD2 LEU 33 HD23 LEU 33 16.463 11.443 11.443 907 2HD2 LEU 33 HD22 LEU 33 17.506 11.640 11.640 908 3HD2 LEU 33 HD21 LEU 33 17.812 10.337 10.337 909 H GLU 34 HN GLU 34 12.547 11.483 11.483 910 HA GLU 34 HA GLU 34 13.047 14.367 14.367 911 1HB GLU 34 HB2 GLU 34 10.883 13.430 13.430 912 2HB GLU 34 HB1 GLU 34 10.573 12.801 12.801 913 1HG GLU 34 HG2 GLU 34 9.626 14.794 14.794 914 2HG GLU 34 HG1 GLU 34 11.251 15.480 15.480 915 H ARG 35 HN ARG 35 12.604 11.705 11.705 916 HA ARG 35 HA ARG 35 12.506 13.444 13.444 917 1HB ARG 35 HB2 ARG 35 12.357 10.556 10.556 918 2HB ARG 35 HB1 ARG 35 13.213 10.950 10.950 919 1HG ARG 35 HG2 ARG 35 11.159 11.110 11.110 920 2HG ARG 35 HG1 ARG 35 11.034 12.649 12.649 921 1HD ARG 35 HD2 ARG 35 9.172 11.692 11.692 922 2HD ARG 35 HD1 ARG 35 10.342 10.932 10.932 923 HE ARG 35 HE ARG 35 9.873 8.875 8.875 924 1HH1 ARG 35 HH11 ARG 35 10.307 8.416 8.416 925 2HH1 ARG 35 HH12 ARG 35 8.911 8.810 8.810 926 1HH2 ARG 35 HH21 ARG 35 7.440 10.736 10.736 927 2HH2 ARG 35 HH22 ARG 35 7.290 10.122 10.122 928 H GLU 36 HN GLU 36 14.955 11.718 11.718 929 HA GLU 36 HA GLU 36 17.026 12.211 12.211 930 1HB GLU 36 HB2 GLU 36 18.503 11.043 11.043 931 2HB GLU 36 HB1 GLU 36 16.957 10.214 10.214 932 1HG GLU 36 HG2 GLU 36 16.480 11.673 11.673 933 2HG GLU 36 HG1 GLU 36 18.142 12.254 12.254 934 H ASN 37 HN ASN 37 15.912 13.601 13.601 935 HA ASN 37 HA ASN 37 18.137 15.468 15.468 936 1HB ASN 37 HB2 ASN 37 17.015 14.885 14.885 937 2HB ASN 37 HB1 ASN 37 15.436 15.280 15.280 938 1HD2 ASN 37 HD22 ASN 37 15.864 18.815 18.815 939 2HD2 ASN 37 HD21 ASN 37 15.042 17.634 17.634 940 H THR 38 HN THR 38 14.947 15.455 15.455 941 HA THR 38 HA THR 38 14.890 18.326 18.326 942 HB THR 38 HB THR 38 13.299 16.006 16.006 943 HG1 THR 38 HG1 THR 38 13.116 17.086 17.086 944 1HG2 THR 38 HG23 THR 38 13.645 18.667 18.667 945 2HG2 THR 38 HG22 THR 38 11.980 18.435 18.435 946 3HG2 THR 38 HG21 THR 38 12.691 17.328 17.328 947 H LEU 39 HN LEU 39 15.847 15.443 15.443 948 HA LEU 39 HA LEU 39 16.397 16.929 16.929 949 1HB LEU 39 HB2 LEU 39 16.491 14.159 14.159 950 2HB LEU 39 HB1 LEU 39 17.933 14.580 14.580 951 HG LEU 39 HG LEU 39 15.749 15.776 15.776 952 1HD1 LEU 39 HD13 LEU 39 15.200 12.988 12.988 953 2HD1 LEU 39 HD12 LEU 39 14.529 13.545 13.545 954 3HD1 LEU 39 HD11 LEU 39 14.116 14.379 14.379 955 1HD2 LEU 39 HD21 LEU 39 18.018 14.468 14.468 956 2HD2 LEU 39 HD23 LEU 39 16.709 14.725 14.725 957 3HD2 LEU 39 HD22 LEU 39 16.851 13.183 13.183 958 H LEU 40 HN LEU 40 18.241 15.959 15.959 959 HA LEU 40 HA LEU 40 20.790 16.815 16.815 960 1HB LEU 40 HB2 LEU 40 19.938 16.033 16.033 961 2HB LEU 40 HB1 LEU 40 21.583 16.531 16.531 962 HG LEU 40 HG LEU 40 20.120 14.270 14.270 963 1HD1 LEU 40 HD12 LEU 40 21.240 14.335 14.335 964 2HD1 LEU 40 HD11 LEU 40 22.373 13.444 13.444 965 3HD1 LEU 40 HD13 LEU 40 20.693 12.920 12.920 966 1HD2 LEU 40 HD23 LEU 40 22.354 15.752 15.752 967 2HD2 LEU 40 HD22 LEU 40 21.930 14.149 14.149 968 3HD2 LEU 40 HD21 LEU 40 23.045 14.315 14.315 969 H LYS 41 HN LYS 41 18.205 18.239 18.239 970 HA LYS 41 HA LYS 41 19.777 20.583 20.583 971 1HB LYS 41 HB2 LYS 41 17.802 19.711 19.711 972 2HB LYS 41 HB1 LYS 41 16.762 20.276 20.276 973 1HG LYS 41 HG2 LYS 41 17.383 22.549 22.549 974 2HG LYS 41 HG1 LYS 41 18.744 22.096 22.096 975 1HD LYS 41 HD2 LYS 41 17.307 22.517 22.517 976 2HD LYS 41 HD1 LYS 41 16.658 20.922 20.922 977 1HE LYS 41 HE2 LYS 41 15.635 23.212 23.212 978 2HE LYS 41 HE1 LYS 41 15.107 23.117 23.117 979 1HZ LYS 41 HZ3 LYS 41 15.027 20.586 20.586 980 2HZ LYS 41 HZ2 LYS 41 14.033 21.744 21.744 981 3HZ LYS 41 HZ1 LYS 41 13.823 21.371 21.371 982 H THR 42 HN THR 42 17.626 19.641 19.641 983 HA THR 42 HA THR 42 17.454 22.377 22.377 984 HB THR 42 HB THR 42 15.590 20.746 20.746 985 HG1 THR 42 HG1 THR 42 16.963 21.871 21.871 986 1HG2 THR 42 HG21 THR 42 17.530 18.919 18.919 987 2HG2 THR 42 HG23 THR 42 17.076 19.328 19.328 988 3HG2 THR 42 HG22 THR 42 15.861 18.718 18.718 989 H LEU 43 HN LEU 43 19.319 19.443 19.443 990 HA LEU 43 HA LEU 43 20.578 20.392 20.392 991 1HB LEU 43 HB2 LEU 43 20.744 18.030 18.030 992 2HB LEU 43 HB1 LEU 43 22.300 18.510 18.510 993 HG LEU 43 HG LEU 43 20.961 16.898 16.898 994 1HD1 LEU 43 HD13 LEU 43 22.141 19.488 19.488 995 2HD1 LEU 43 HD12 LEU 43 21.126 18.719 18.719 996 3HD1 LEU 43 HD11 LEU 43 22.516 17.857 17.857 997 1HD2 LEU 43 HD21 LEU 43 18.776 18.134 18.134 998 2HD2 LEU 43 HD23 LEU 43 19.010 17.674 17.674 999 3HD2 LEU 43 HD22 LEU 43 19.288 19.339 19.339 1000 H ALA 44 HN ALA 44 21.546 20.213 20.213 1001 HA ALA 44 HA ALA 44 24.077 21.575 21.575 1002 1HB ALA 44 HB2 ALA 44 23.242 19.976 19.976 1003 2HB ALA 44 HB1 ALA 44 22.885 21.542 21.542 1004 3HB ALA 44 HB3 ALA 44 24.529 21.162 21.162 1005 H SER 45 HN SER 45 20.831 22.485 22.485 1006 HA SER 45 HA SER 45 21.661 25.348 25.348 1007 1HB SER 45 HB2 SER 45 19.834 24.099 24.099 1008 2HB SER 45 HB1 SER 45 20.017 25.836 25.836 1009 HG SER 45 HG SER 45 21.592 25.544 25.544 1010 HA PRO 46 HA PRO 46 18.028 24.376 24.376 1011 1HB PRO 46 HB2 PRO 46 19.193 25.270 25.270 1012 2HB PRO 46 HB1 PRO 46 19.327 23.601 23.601 1013 1HG PRO 46 HG2 PRO 46 21.375 25.767 25.767 1014 2HG PRO 46 HG1 PRO 46 21.600 24.010 24.010 1015 1HD PRO 46 HD2 PRO 46 21.849 25.703 25.703 1016 2HD PRO 46 HD1 PRO 46 21.775 23.928 23.928 1017 H GLU 47 HN GLU 47 20.163 27.129 27.129 1018 HA GLU 47 HA GLU 47 17.876 28.891 28.891 1019 1HB GLU 47 HB2 GLU 47 20.781 29.708 29.708 1020 2HB GLU 47 HB1 GLU 47 19.480 30.535 30.535 1021 1HG GLU 47 HG2 GLU 47 19.463 28.995 28.995 1022 2HG GLU 47 HG1 GLU 47 20.131 27.705 27.705 1023 H GLN 48 HN GLN 48 17.032 28.574 28.574 1024 HA GLN 48 HA GLN 48 17.479 30.849 30.849 1025 1HB GLN 48 HB2 GLN 48 19.594 28.998 28.998 1026 2HB GLN 48 HB1 GLN 48 18.561 28.758 28.758 1027 1HG GLN 48 HG2 GLN 48 19.312 30.669 30.669 1028 2HG GLN 48 HG1 GLN 48 18.810 31.576 31.576 1029 1HE2 GLN 48 HE22 GLN 48 22.069 31.666 31.666 1030 2HE2 GLN 48 HE21 GLN 48 20.414 31.906 31.906 1031 H LEU 49 HN LEU 49 15.394 29.367 29.367 1032 HA LEU 49 HA LEU 49 14.019 28.566 28.566 1033 1HB LEU 49 HB2 LEU 49 15.141 26.558 26.558 1034 2HB LEU 49 HB1 LEU 49 14.116 26.780 26.780 1035 HG LEU 49 HG LEU 49 13.235 25.149 25.149 1036 1HD1 LEU 49 HD11 LEU 49 11.903 27.009 27.009 1037 2HD1 LEU 49 HD13 LEU 49 11.191 27.242 27.242 1038 3HD1 LEU 49 HD12 LEU 49 11.157 25.659 25.659 1039 1HD2 LEU 49 HD22 LEU 49 14.096 26.484 26.484 1040 2HD2 LEU 49 HD21 LEU 49 12.427 25.941 25.941 1041 3HD2 LEU 49 HD23 LEU 49 12.771 27.610 27.610 1042 H GLU 50 HN GLU 50 13.791 28.916 28.916 1043 HA GLU 50 HA GLU 50 11.071 28.958 28.958 1044 1HB GLU 50 HB2 GLU 50 12.937 31.131 31.131 1045 2HB GLU 50 HB1 GLU 50 11.442 30.581 30.581 1046 1HG GLU 50 HG2 GLU 50 12.804 28.220 28.220 1047 2HG GLU 50 HG1 GLU 50 14.122 29.347 29.347 1048 H LYS 51 HN LYS 51 12.989 31.193 31.193 1049 HA LYS 51 HA LYS 51 11.807 33.490 33.490 1050 1HB LYS 51 HB2 LYS 51 13.535 32.190 32.190 1051 2HB LYS 51 HB1 LYS 51 12.187 31.392 31.392 1052 1HG LYS 51 HG2 LYS 51 11.354 33.593 33.593 1053 2HG LYS 51 HG1 LYS 51 12.749 34.368 34.368 1054 1HD LYS 51 HD2 LYS 51 12.957 33.816 33.816 1055 2HD LYS 51 HD1 LYS 51 14.283 33.298 33.298 1056 1HE LYS 51 HE2 LYS 51 11.971 31.442 31.442 1057 2HE LYS 51 HE1 LYS 51 13.288 31.583 31.583 1058 1HZ LYS 51 HZ1 LYS 51 14.381 31.331 31.331 1059 2HZ LYS 51 HZ3 LYS 51 13.233 30.099 30.099 1060 3HZ LYS 51 HZ2 LYS 51 14.515 30.258 30.258 1061 H PHE 52 HN PHE 52 10.478 30.426 30.426 1062 HA PHE 52 HA PHE 52 7.841 31.788 31.788 1063 1HB PHE 52 HB2 PHE 52 7.452 30.248 30.248 1064 2HB PHE 52 HB1 PHE 52 8.673 31.459 31.459 1065 HD1 PHE 52 HD1 PHE 52 9.047 28.132 28.132 1066 HD2 PHE 52 HD2 PHE 52 10.149 30.548 30.548 1067 HE1 PHE 52 HE1 PHE 52 10.648 26.434 26.434 1068 HE2 PHE 52 HE2 PHE 52 11.769 28.827 28.827 1069 HZ PHE 52 HZ PHE 52 11.990 26.760 26.760 1070 H GLN 53 HN GLN 53 7.160 28.834 28.834 1071 HA GLN 53 HA GLN 53 6.153 28.037 28.037 1072 1HB GLN 53 HB2 GLN 53 4.502 27.534 27.534 1073 2HB GLN 53 HB1 GLN 53 5.590 27.554 27.554 1074 1HG GLN 53 HG2 GLN 53 6.093 25.164 25.164 1075 2HG GLN 53 HG1 GLN 53 4.374 25.313 25.313 1076 1HE2 GLN 53 HE22 GLN 53 6.430 25.595 25.595 1077 2HE2 GLN 53 HE21 GLN 53 6.746 26.684 26.684 1078 H SER 54 HN SER 54 7.651 25.903 25.903 1079 HA SER 54 HA SER 54 10.033 25.169 25.169 1080 1HB SER 54 HB2 SER 54 7.849 24.327 24.327 1081 2HB SER 54 HB1 SER 54 9.048 23.087 23.087 1082 HG SER 54 HG SER 54 9.238 25.185 25.185 1083 H ARG 55 HN ARG 55 9.907 24.631 24.631 1084 HA ARG 55 HA ARG 55 10.308 22.135 22.135 1085 1HB ARG 55 HB2 ARG 55 8.068 21.166 21.166 1086 2HB ARG 55 HB1 ARG 55 8.363 21.177 21.177 1087 1HG ARG 55 HG2 ARG 55 6.533 22.452 22.452 1088 2HG ARG 55 HG1 ARG 55 7.222 23.703 23.703 1089 1HD ARG 55 HD2 ARG 55 5.384 23.195 23.195 1090 2HD ARG 55 HD1 ARG 55 6.445 21.917 21.917 1091 HE ARG 55 HE ARG 55 4.934 21.109 21.109 1092 1HH1 ARG 55 HH11 ARG 55 5.715 20.270 20.270 1093 2HH1 ARG 55 HH12 ARG 55 4.170 19.611 19.611 1094 1HH2 ARG 55 HH21 ARG 55 2.587 20.783 20.783 1095 2HH2 ARG 55 HH22 ARG 55 2.400 19.902 19.902 1096 H LEU 56 HN LEU 56 10.633 24.726 24.726 1097 HA LEU 56 HA LEU 56 10.130 24.352 24.352 1098 1HB LEU 56 HB2 LEU 56 8.300 25.864 25.864 1099 2HB LEU 56 HB1 LEU 56 7.738 24.702 24.702 1100 HG LEU 56 HG LEU 56 6.977 26.784 26.784 1101 1HD1 LEU 56 HD13 LEU 56 8.224 25.436 25.436 1102 2HD1 LEU 56 HD12 LEU 56 9.657 26.387 26.387 1103 3HD1 LEU 56 HD11 LEU 56 8.244 27.167 27.167 1104 1HD2 LEU 56 HD23 LEU 56 8.891 27.912 27.912 1105 2HD2 LEU 56 HD22 LEU 56 7.959 28.798 28.798 1106 3HD2 LEU 56 HD21 LEU 56 9.570 28.199 28.199 1107 H SER 57 HN SER 57 10.218 26.670 26.670 1108 HA SER 57 HA SER 57 11.328 28.913 28.913 1109 1HB SER 57 HB2 SER 57 13.784 28.048 28.048 1110 2HB SER 57 HB1 SER 57 13.431 28.380 28.380 1111 HG SER 57 HG SER 57 13.651 26.322 26.322 1112 HA PRO 58 HA PRO 58 12.330 29.030 29.030 1113 1HB PRO 58 HB2 PRO 58 12.286 26.673 26.673 1114 2HB PRO 58 HB1 PRO 58 13.733 27.308 27.308 1115 1HG PRO 58 HG2 PRO 58 11.976 25.042 25.042 1116 2HG PRO 58 HG1 PRO 58 13.681 25.332 25.332 1117 1HD PRO 58 HD2 PRO 58 11.477 25.796 25.796 1118 2HD PRO 58 HD1 PRO 58 13.150 26.336 26.336 1119 H GLU 59 HN GLU 59 10.644 29.838 29.838 1120 HA GLU 59 HA GLU 59 8.668 29.863 29.863 1121 1HB GLU 59 HB2 GLU 59 9.240 27.152 27.152 1122 2HB GLU 59 HB1 GLU 59 7.595 27.267 27.267 1123 1HG GLU 59 HG2 GLU 59 7.805 29.013 29.013 1124 2HG GLU 59 HG1 GLU 59 8.450 27.438 27.438 1125 H GLU 60 HN GLU 60 8.937 29.702 29.702 1126 HA GLU 60 HA GLU 60 6.153 30.626 30.626 1127 1HB GLU 60 HB2 GLU 60 5.903 29.103 29.103 1128 2HB GLU 60 HB1 GLU 60 5.715 28.356 28.356 1129 1HG GLU 60 HG2 GLU 60 8.481 28.433 28.433 1130 2HG GLU 60 HG1 GLU 60 7.363 27.388 27.388 1131 HA PRO 61 HA PRO 61 8.929 33.101 33.101 1132 1HB PRO 61 HB2 PRO 61 7.517 35.422 35.422 1133 2HB PRO 61 HB1 PRO 61 8.774 34.837 34.837 1134 1HG PRO 61 HG2 PRO 61 5.812 34.802 34.802 1135 2HG PRO 61 HG1 PRO 61 7.083 34.836 34.836 1136 1HD PRO 61 HD2 PRO 61 5.599 32.559 32.559 1137 2HD PRO 61 HD1 PRO 61 7.087 32.553 32.553 1138 H ALA 62 HN ALA 62 7.927 35.031 35.031 1139 HA ALA 62 HA ALA 62 5.717 33.667 33.667 1140 1HB ALA 62 HB1 ALA 62 8.118 35.204 35.204 1141 2HB ALA 62 HB3 ALA 62 6.751 34.755 34.755 1142 3HB ALA 62 HB2 ALA 62 7.741 33.502 33.502 1143 HA PRO 63 HA PRO 63 4.099 37.779 37.779 1144 1HB PRO 63 HB2 PRO 63 1.564 36.849 36.849 1145 2HB PRO 63 HB1 PRO 63 2.864 36.873 36.873 1146 1HG PRO 63 HG2 PRO 63 1.721 34.553 34.553 1147 2HG PRO 63 HG1 PRO 63 2.546 34.588 34.588 1148 1HD PRO 63 HD2 PRO 63 3.682 33.783 33.783 1149 2HD PRO 63 HD1 PRO 63 4.566 34.084 34.084 1150 H GLU 64 HN GLU 64 3.379 39.091 39.091 1151 HA GLU 64 HA GLU 64 2.631 39.669 39.669 1152 1HB GLU 64 HB2 GLU 64 0.578 39.769 39.769 1153 2HB GLU 64 HB1 GLU 64 0.287 38.056 38.056 1154 1HG GLU 64 HG2 GLU 64 -0.397 38.421 38.421 1155 2HG GLU 64 HG1 GLU 64 0.722 39.764 39.764 1156 H THR 65 HN THR 65 4.327 38.033 38.033 1157 HA THR 65 HA THR 65 2.892 35.904 35.904 1158 HB THR 65 HB THR 65 4.796 34.456 34.456 1159 HG1 THR 65 HG1 THR 65 6.708 35.216 35.216 1160 1HG2 THR 65 HG23 THR 65 3.233 35.080 35.080 1161 2HG2 THR 65 HG22 THR 65 4.800 35.538 35.538 1162 3HG2 THR 65 HG21 THR 65 4.530 33.888 33.888 1163 HA PRO 66 HA PRO 66 4.641 37.777 37.777 1164 1HB PRO 66 HB2 PRO 66 4.723 35.589 35.589 1165 2HB PRO 66 HB1 PRO 66 3.228 36.440 36.440 1166 1HG PRO 66 HG2 PRO 66 4.223 33.801 33.801 1167 2HG PRO 66 HG1 PRO 66 2.558 34.393 34.393 1168 1HD PRO 66 HD2 PRO 66 4.088 34.248 34.248 1169 2HD PRO 66 HD1 PRO 66 2.563 35.135 35.135 1170 H GLU 67 HN GLU 67 6.553 37.594 37.594 1171 HA GLU 67 HA GLU 67 8.831 36.238 36.238 1172 1HB GLU 67 HB2 GLU 67 8.687 38.851 38.851 1173 2HB GLU 67 HB1 GLU 67 9.227 38.415 38.415 1174 1HG GLU 67 HG2 GLU 67 11.323 37.958 37.958 1175 2HG GLU 67 HG1 GLU 67 10.728 37.021 37.021 1176 H ALA 68 HN ALA 68 10.710 36.096 36.096 1177 HA ALA 68 HA ALA 68 9.490 34.232 34.232 1178 1HB ALA 68 HB1 ALA 68 11.935 34.295 34.295 1179 2HB ALA 68 HB3 ALA 68 12.340 34.391 34.391 1180 3HB ALA 68 HB2 ALA 68 11.370 33.048 33.048 1181 HA PRO 69 HA PRO 69 9.905 37.423 37.423 1182 1HB PRO 69 HB2 PRO 69 8.942 35.916 35.916 1183 2HB PRO 69 HB1 PRO 69 7.905 36.669 36.669 1184 1HG PRO 69 HG2 PRO 69 8.651 33.802 33.802 1185 2HG PRO 69 HG1 PRO 69 7.213 34.509 34.509 1186 1HD PRO 69 HD2 PRO 69 9.477 33.477 33.477 1187 2HD PRO 69 HD1 PRO 69 8.177 34.456 34.456 1188 H GLU 70 HN GLU 70 12.319 37.266 37.266 1189 HA GLU 70 HA GLU 70 13.872 35.301 35.301 1190 1HB GLU 70 HB2 GLU 70 15.613 37.084 37.084 1191 2HB GLU 70 HB1 GLU 70 14.897 37.005 37.005 1192 1HG GLU 70 HG2 GLU 70 14.011 39.079 39.079 1193 2HG GLU 70 HG1 GLU 70 13.424 38.775 38.775 1194 H ALA 71 HN ALA 71 15.321 36.238 36.238 1195 HA ALA 71 HA ALA 71 13.307 37.027 37.027 1196 1HB ALA 71 HB1 ALA 71 14.915 34.666 34.666 1197 2HB ALA 71 HB3 ALA 71 15.480 35.625 35.625 1198 3HB ALA 71 HB2 ALA 71 13.788 35.134 35.134 1199 HA PRO 72 HA PRO 72 16.175 40.312 40.312 1200 1HB PRO 72 HB2 PRO 72 14.956 41.271 41.271 1201 2HB PRO 72 HB1 PRO 72 14.342 41.563 41.563 1202 1HG PRO 72 HG2 PRO 72 13.291 39.725 39.725 1203 2HG PRO 72 HG1 PRO 72 12.437 40.497 40.497 1204 1HD PRO 72 HD2 PRO 72 13.320 37.801 37.801 1205 2HD PRO 72 HD1 PRO 72 12.731 38.665 38.665 1206 H GLY 73 HN GLY 73 18.183 39.766 39.766 1207 1HA GLY 73 HA2 GLY 73 18.383 39.063 39.063 1208 2HA GLY 73 HA1 GLY 73 19.113 37.954 37.954 1209 H GLY 74 HN GLY 74 21.239 38.318 38.318 1210 1HA GLY 74 HA2 GLY 74 22.222 41.138 41.138 1211 2HA GLY 74 HA1 GLY 74 23.115 39.821 39.821 1212 H SER 75 HN SER 75 24.970 39.942 39.942 1213 HA SER 75 HA SER 75 24.765 40.020 40.020 1214 1HB SER 75 HB2 SER 75 27.304 39.173 39.173 1215 2HB SER 75 HB1 SER 75 27.032 40.366 40.366 1216 HG SER 75 HG SER 75 26.058 41.673 41.673 1217 H ALA 76 HN ALA 76 23.386 38.052 38.052 1218 HA ALA 76 HA ALA 76 25.009 35.711 35.711 1219 1HB ALA 76 HB3 ALA 76 23.729 35.940 35.940 1220 2HB ALA 76 HB2 ALA 76 23.093 34.561 34.561 1221 3HB ALA 76 HB1 ALA 76 24.825 34.691 34.691 1222 H VAL 77 HN VAL 77 23.793 36.619 36.619 1223 HA VAL 77 HA VAL 77 21.636 34.837 34.837 1224 HB VAL 77 HB VAL 77 20.433 36.466 36.466 1225 1HG1 VAL 77 HG11 VAL 77 21.921 38.337 38.337 1226 2HG1 VAL 77 HG13 VAL 77 20.250 38.561 38.561 1227 3HG1 VAL 77 HG12 VAL 77 20.671 38.690 38.690 1228 1HG2 VAL 77 HG23 VAL 77 19.774 35.842 35.842 1229 2HG2 VAL 77 HG22 VAL 77 18.846 35.529 35.529 1230 3HG2 VAL 77 HG21 VAL 77 18.816 37.131 37.131
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