REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1mu7_1_A DATA FIRST_RESID 162 DATA SEQUENCE NPFQFYLTRV SGVKPKYNSG ALHIKDILSP LFGTLVSSAQ FNYCFDVDWL DATA SEQUENCE VKQYPPEFRK KPILLVHGDK REAKAHLHAQ AKPYENISLC QAKLDIAFGT DATA SEQUENCE HHTKMMLLLY EEGLRVVIHT SNLIHADWHQ KTQGIWLSPL YPRIADGTHK DATA SEQUENCE SGESPTHFKA NLISYLTAYN APSLKEWIDV IHKHDLSETN VYLIGSTPGR DATA SEQUENCE FQGSQKDNWG HFRLKKLLKD HAXXXXXAES WPVVGQFSSV GSLGADESKW DATA SEQUENCE LCSEFKESML TLGXXXXXXX XXSVPLYLIY PSVENVRTSL EGYPAGGSLP DATA SEQUENCE YSIQTAEKQN WLHSYFHKWS AETSGRSNAM PHIKTYMRPS PDFSKIAWFL DATA SEQUENCE VTSANLSKAA WGALEXXXTQ LMIRSYELGV LFLPSALGLD SFKVKQKFXX DATA SEQUENCE XXXXXXATFP VPYDLPPELY GSKDRPWIWN IPYVKAPDTH GNMWVPS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 162 N HA 0.000 nan 4.740 nan 0.000 0.220 162 N C 0.000 175.391 175.510 -0.199 0.000 1.280 162 N CA 0.000 52.954 53.050 -0.160 0.000 0.885 162 N CB 0.000 38.398 38.487 -0.148 0.000 1.341 163 P HA 0.173 nan 4.420 nan 0.000 0.227 163 P C 0.909 178.023 177.300 -0.311 0.000 1.161 163 P CA 0.722 63.575 63.100 -0.412 0.000 0.788 163 P CB 0.084 31.376 31.700 -0.680 0.000 0.822 164 F N -0.376 119.566 119.950 -0.013 0.000 2.317 164 F HA 0.112 4.640 4.527 0.001 0.000 0.293 164 F C 1.195 177.170 175.800 0.290 0.000 1.085 164 F CA 0.292 58.338 58.000 0.077 0.000 1.390 164 F CB -1.051 37.715 39.000 -0.390 0.000 1.077 164 F HN -0.233 nan 8.300 nan 0.000 0.517 165 Q N -0.274 119.636 119.800 0.182 0.000 2.457 165 Q HA -0.258 4.082 4.340 0.001 0.000 0.283 165 Q C -0.539 175.634 176.000 0.290 0.000 1.234 165 Q CA 0.708 56.604 55.803 0.156 0.000 0.877 165 Q CB -2.436 26.399 28.738 0.161 0.000 1.250 165 Q HN 0.554 nan 8.270 nan 0.000 0.481 166 F N 0.540 120.402 119.950 -0.147 0.000 2.411 166 F HA 0.532 5.060 4.527 0.000 0.000 0.352 166 F C -0.480 175.149 175.800 -0.284 0.000 1.123 166 F CA -0.839 57.171 58.000 0.015 0.000 1.044 166 F CB 0.758 39.665 39.000 -0.155 0.000 1.135 166 F HN -0.037 nan 8.300 nan 0.000 0.461 167 Y N 5.244 125.409 120.300 -0.225 0.000 2.576 167 Y HA 0.588 5.138 4.550 0.000 0.000 0.346 167 Y C -0.721 175.028 175.900 -0.251 0.000 1.018 167 Y CA -1.092 56.890 58.100 -0.196 0.000 1.050 167 Y CB 1.772 40.238 38.460 0.010 0.000 1.280 167 Y HN 0.395 nan 8.280 nan 0.000 0.474 168 L N 1.347 122.593 121.223 0.038 0.000 2.352 168 L HA 0.578 4.918 4.340 0.001 0.000 0.269 168 L C 0.257 177.178 176.870 0.085 0.000 1.034 168 L CA -1.043 53.789 54.840 -0.013 0.000 0.806 168 L CB 1.692 43.668 42.059 -0.139 0.000 1.244 168 L HN 0.748 nan 8.230 nan 0.000 0.447 169 T N -1.202 113.384 114.554 0.053 0.000 2.868 169 T HA 0.224 4.574 4.350 0.001 0.000 0.292 169 T C 0.206 174.984 174.700 0.130 0.000 1.028 169 T CA -0.745 61.423 62.100 0.115 0.000 1.059 169 T CB 1.001 69.880 68.868 0.019 0.000 0.991 169 T HN 0.532 nan 8.240 nan 0.000 0.531 170 R N 0.451 121.078 120.500 0.211 0.000 2.623 170 R HA 0.365 4.705 4.340 0.001 0.000 0.271 170 R C -1.137 175.225 176.300 0.102 0.000 1.043 170 R CA -0.255 55.939 56.100 0.156 0.000 1.083 170 R CB 0.138 30.543 30.300 0.174 0.000 0.974 170 R HN 0.561 nan 8.270 nan 0.000 0.436 171 V N 3.427 123.366 119.914 0.042 0.000 2.444 171 V HA 0.195 4.316 4.120 0.001 0.000 0.294 171 V C -0.423 175.636 176.094 -0.058 0.000 1.022 171 V CA -0.649 61.635 62.300 -0.026 0.000 0.850 171 V CB 1.989 33.790 31.823 -0.038 0.000 0.992 171 V HN 0.846 nan 8.190 nan 0.000 0.426 172 S N 3.028 118.632 115.700 -0.161 0.000 2.545 172 S HA 0.584 5.054 4.470 0.001 0.000 0.275 172 S C 1.116 175.637 174.600 -0.133 0.000 1.299 172 S CA 0.477 58.590 58.200 -0.144 0.000 1.048 172 S CB 1.201 64.279 63.200 -0.203 0.000 0.938 172 S HN 1.543 nan 8.310 nan 0.000 0.496 173 G N 0.641 109.415 108.800 -0.043 0.000 2.179 173 G HA2 -0.204 3.756 3.960 0.001 0.000 0.220 173 G HA3 -0.204 3.756 3.960 0.001 0.000 0.220 173 G C 0.030 174.929 174.900 -0.002 0.000 0.990 173 G CA -0.045 45.042 45.100 -0.022 0.000 0.646 173 G HN 1.383 nan 8.290 nan 0.000 0.517 174 V N -2.625 117.300 119.914 0.018 0.000 3.103 174 V HA 0.846 4.966 4.120 0.001 0.000 0.318 174 V C 0.510 176.673 176.094 0.115 0.000 1.114 174 V CA -1.594 60.752 62.300 0.077 0.000 1.020 174 V CB 1.489 33.366 31.823 0.090 0.000 1.085 174 V HN 0.251 nan 8.190 nan 0.000 0.446 175 K N 2.632 123.141 120.400 0.183 0.000 2.436 175 K HA 0.219 4.539 4.320 0.001 0.000 0.275 175 K C -1.554 175.064 176.600 0.030 0.000 0.999 175 K CA -0.638 55.700 56.287 0.084 0.000 0.980 175 K CB 0.678 33.198 32.500 0.033 0.000 0.919 175 K HN 0.612 nan 8.250 nan 0.000 0.484 176 P HA -0.288 nan 4.420 nan 0.000 0.217 176 P C 0.757 178.016 177.300 -0.068 0.000 1.148 176 P CA 1.629 64.714 63.100 -0.025 0.000 0.828 176 P CB 0.096 31.777 31.700 -0.032 0.000 0.783 177 K N -0.811 119.475 120.400 -0.190 0.000 2.280 177 K HA -0.157 4.164 4.320 0.001 0.000 0.202 177 K C 1.507 177.953 176.600 -0.257 0.000 1.047 177 K CA 1.234 57.360 56.287 -0.268 0.000 0.942 177 K CB -0.812 31.450 32.500 -0.395 0.000 0.739 177 K HN 0.100 nan 8.250 nan 0.000 0.457 178 Y N 1.187 121.494 120.300 0.012 0.000 2.544 178 Y HA 0.106 4.657 4.550 0.000 0.000 0.286 178 Y C 1.174 177.088 175.900 0.024 0.000 1.141 178 Y CA 0.226 58.334 58.100 0.013 0.000 1.299 178 Y CB 0.059 38.514 38.460 -0.009 0.000 1.030 178 Y HN 0.194 nan 8.280 nan 0.000 0.543 179 N N -1.138 117.640 118.700 0.129 0.000 2.187 179 N HA -0.008 4.733 4.740 0.001 0.000 0.212 179 N C 1.701 177.262 175.510 0.085 0.000 1.152 179 N CA 0.714 53.827 53.050 0.104 0.000 0.872 179 N CB 0.159 38.694 38.487 0.078 0.000 1.025 179 N HN 0.293 nan 8.380 nan 0.000 0.514 180 S N -0.439 115.300 115.700 0.065 0.000 2.356 180 S HA -0.056 4.415 4.470 0.001 0.000 0.223 180 S C 1.724 176.372 174.600 0.080 0.000 1.032 180 S CA 1.235 59.465 58.200 0.049 0.000 1.005 180 S CB -0.624 62.585 63.200 0.015 0.000 0.867 180 S HN 0.203 nan 8.310 nan 0.000 0.449 181 G N 0.835 109.704 108.800 0.116 0.000 3.448 181 G HA2 0.628 4.588 3.960 0.001 0.000 0.261 181 G HA3 0.628 4.588 3.960 0.001 0.000 0.261 181 G C 0.056 175.104 174.900 0.246 0.000 1.173 181 G CA 0.111 45.309 45.100 0.164 0.000 0.835 181 G HN 0.801 nan 8.290 nan 0.000 0.534 182 A N -0.028 122.904 122.820 0.186 0.000 2.299 182 A HA 0.890 5.210 4.320 0.001 0.000 0.332 182 A C -0.760 176.909 177.584 0.143 0.000 1.131 182 A CA -0.563 51.587 52.037 0.188 0.000 0.844 182 A CB 1.276 20.366 19.000 0.150 0.000 1.251 182 A HN 0.234 nan 8.150 nan 0.000 0.486 183 L N 0.702 122.012 121.223 0.144 0.000 2.362 183 L HA 0.447 4.787 4.340 0.001 0.000 0.271 183 L C -0.453 176.555 176.870 0.230 0.000 1.002 183 L CA -0.709 54.195 54.840 0.107 0.000 0.818 183 L CB 2.091 44.148 42.059 -0.004 0.000 1.298 183 L HN 0.945 nan 8.230 nan 0.000 0.420 184 H N 1.279 120.396 119.070 0.078 0.000 2.525 184 H HA 0.317 4.873 4.556 0.001 0.000 0.340 184 H C 0.681 175.960 175.328 -0.082 0.000 1.168 184 H CA -0.304 55.814 56.048 0.117 0.000 1.247 184 H CB 1.629 31.419 29.762 0.045 0.000 1.568 184 H HN 0.624 nan 8.280 nan 0.000 0.536 185 I N 2.100 122.042 120.570 -1.048 0.000 2.248 185 I HA -0.280 3.890 4.170 0.001 0.000 0.248 185 I C 1.472 177.122 176.117 -0.778 0.000 1.107 185 I CA 1.503 62.094 61.300 -1.181 0.000 1.373 185 I CB -0.078 36.755 38.000 -1.944 0.000 1.055 185 I HN 0.651 nan 8.210 nan 0.000 0.418 186 K N 0.410 120.447 120.400 -0.604 0.000 2.147 186 K HA -0.187 4.133 4.320 0.001 0.000 0.205 186 K C 1.624 178.048 176.600 -0.294 0.000 1.049 186 K CA 1.590 57.680 56.287 -0.330 0.000 0.936 186 K CB -0.193 32.256 32.500 -0.084 0.000 0.722 186 K HN 0.462 nan 8.250 nan 0.000 0.446 187 D N 1.015 121.264 120.400 -0.251 0.000 2.097 187 D HA -0.102 4.538 4.640 0.001 0.000 0.197 187 D C 1.937 177.819 176.300 -0.696 0.000 0.984 187 D CA 1.004 54.838 54.000 -0.277 0.000 0.826 187 D CB -0.144 40.581 40.800 -0.125 0.000 0.973 187 D HN 0.170 nan 8.370 nan 0.000 0.460 188 I N 0.721 120.861 120.570 -0.717 0.000 2.286 188 I HA -0.218 3.952 4.170 0.001 0.000 0.248 188 I C 1.886 177.440 176.117 -0.938 0.000 1.115 188 I CA 0.888 61.590 61.300 -0.996 0.000 1.392 188 I CB -0.094 37.599 38.000 -0.512 0.000 1.065 188 I HN -0.062 nan 8.210 nan 0.000 0.418 189 L N -0.007 120.843 121.223 -0.620 0.000 2.611 189 L HA 0.115 4.456 4.340 0.001 0.000 0.229 189 L C 1.220 177.990 176.870 -0.166 0.000 1.137 189 L CA -0.322 54.276 54.840 -0.404 0.000 0.901 189 L CB -0.373 41.332 42.059 -0.590 0.000 1.098 189 L HN 0.141 nan 8.230 nan 0.000 0.456 190 S N 0.805 116.349 115.700 -0.260 0.000 2.579 190 S HA 0.140 4.611 4.470 0.001 0.000 0.275 190 S C -1.397 173.305 174.600 0.169 0.000 1.345 190 S CA -0.925 57.241 58.200 -0.057 0.000 1.031 190 S CB 1.018 64.176 63.200 -0.070 0.000 0.892 190 S HN -0.044 nan 8.310 nan 0.000 0.529 191 P HA 0.019 nan 4.420 nan 0.000 0.222 191 P C 1.183 178.591 177.300 0.181 0.000 1.147 191 P CA 0.809 64.063 63.100 0.257 0.000 0.790 191 P CB -0.024 31.691 31.700 0.024 0.000 0.780 192 L N -2.727 118.586 121.223 0.150 0.000 2.201 192 L HA -0.107 4.234 4.340 0.001 0.000 0.212 192 L C 1.883 178.800 176.870 0.078 0.000 1.105 192 L CA 1.070 55.972 54.840 0.103 0.000 0.775 192 L CB -0.770 41.350 42.059 0.101 0.000 0.913 192 L HN -0.084 nan 8.230 nan 0.000 0.440 193 F N -0.049 119.827 119.950 -0.123 0.000 2.661 193 F HA 0.214 4.742 4.527 0.001 0.000 0.298 193 F C 1.393 176.849 175.800 -0.574 0.000 1.137 193 F CA 0.503 58.355 58.000 -0.247 0.000 1.454 193 F CB -0.253 38.657 39.000 -0.150 0.000 1.103 193 F HN 0.068 nan 8.300 nan 0.000 0.577 194 G N -1.058 107.562 108.800 -0.299 0.000 2.339 194 G HA2 0.064 4.024 3.960 0.001 0.000 0.381 194 G HA3 0.064 4.024 3.960 0.001 0.000 0.381 194 G C -0.958 173.884 174.900 -0.097 0.000 1.400 194 G CA -1.107 43.679 45.100 -0.523 0.000 1.002 194 G HN -0.200 nan 8.290 nan 0.000 0.633 195 T N 1.626 116.212 114.554 0.054 0.000 2.863 195 T HA 0.419 4.770 4.350 0.001 0.000 0.299 195 T C 0.606 175.341 174.700 0.059 0.000 0.973 195 T CA -0.165 62.028 62.100 0.155 0.000 0.994 195 T CB 0.789 69.750 68.868 0.154 0.000 0.961 195 T HN 0.650 nan 8.240 nan 0.000 0.552 196 L N 4.873 125.784 121.223 -0.521 0.000 2.490 196 L HA 0.097 4.438 4.340 0.001 0.000 0.274 196 L C 0.986 177.682 176.870 -0.290 0.000 1.201 196 L CA 0.753 55.268 54.840 -0.542 0.000 0.869 196 L CB 0.601 41.997 42.059 -1.105 0.000 1.123 196 L HN 0.462 nan 8.230 nan 0.000 0.484 197 V N 2.157 121.978 119.914 -0.154 0.000 2.911 197 V HA 0.318 4.439 4.120 0.001 0.000 0.237 197 V C 0.434 176.501 176.094 -0.045 0.000 1.156 197 V CA 1.006 63.267 62.300 -0.066 0.000 1.180 197 V CB 0.710 32.518 31.823 -0.026 0.000 0.932 197 V HN 0.941 nan 8.190 nan 0.000 0.483 198 S N -0.465 115.224 115.700 -0.017 0.000 2.611 198 S HA 0.695 5.166 4.470 0.001 0.000 0.268 198 S C -0.824 173.924 174.600 0.246 0.000 1.156 198 S CA 0.119 58.372 58.200 0.088 0.000 0.817 198 S CB 2.090 65.337 63.200 0.079 0.000 1.122 198 S HN 0.768 nan 8.310 nan 0.000 0.466 199 S N 0.169 116.060 115.700 0.318 0.000 2.579 199 S HA 0.903 5.373 4.470 0.001 0.000 0.272 199 S C -0.864 173.795 174.600 0.098 0.000 1.141 199 S CA -0.504 57.826 58.200 0.218 0.000 0.843 199 S CB 1.213 64.518 63.200 0.175 0.000 1.122 199 S HN 2.123 nan 8.310 nan 0.000 0.468 200 A N 1.451 124.104 122.820 -0.278 0.000 2.371 200 A HA 0.786 5.107 4.320 0.001 0.000 0.311 200 A C -0.994 176.559 177.584 -0.053 0.000 1.068 200 A CA -0.689 51.155 52.037 -0.322 0.000 0.744 200 A CB 1.479 19.949 19.000 -0.884 0.000 1.239 200 A HN 0.667 nan 8.150 nan 0.000 0.435 201 Q N 1.984 121.801 119.800 0.029 0.000 2.381 201 Q HA 0.380 4.720 4.340 0.001 0.000 0.263 201 Q C -1.631 174.551 176.000 0.303 0.000 1.030 201 Q CA 0.024 55.985 55.803 0.263 0.000 0.772 201 Q CB 1.323 30.281 28.738 0.366 0.000 1.232 201 Q HN 0.612 nan 8.270 nan 0.000 0.476 202 F N 2.078 122.177 119.950 0.249 0.000 2.411 202 F HA 0.428 4.955 4.527 0.001 0.000 0.350 202 F C 0.970 176.980 175.800 0.350 0.000 1.114 202 F CA -0.077 58.135 58.000 0.352 0.000 1.135 202 F CB 0.869 40.056 39.000 0.312 0.000 1.120 202 F HN 0.387 nan 8.300 nan 0.000 0.495 203 N N 1.172 120.228 118.700 0.594 0.000 3.308 203 N HA 0.067 4.807 4.740 0.001 0.000 0.276 203 N C -0.591 175.154 175.510 0.391 0.000 1.533 203 N CA -0.374 52.799 53.050 0.205 0.000 0.878 203 N CB 0.917 39.161 38.487 -0.404 0.000 1.566 203 N HN 0.456 nan 8.380 nan 0.000 0.546 204 Y N 0.529 120.847 120.300 0.030 0.000 2.351 204 Y HA 0.476 5.027 4.550 0.001 0.000 0.291 204 Y C 0.258 176.258 175.900 0.167 0.000 1.153 204 Y CA 0.598 58.813 58.100 0.192 0.000 1.193 204 Y CB -0.015 38.542 38.460 0.162 0.000 1.187 204 Y HN 0.473 nan 8.280 nan 0.000 0.524 205 C N 1.727 120.898 119.300 -0.214 0.000 2.456 205 C HA 0.615 5.076 4.460 0.001 0.000 0.325 205 C C -1.174 173.662 174.990 -0.256 0.000 1.217 205 C CA -0.840 58.058 59.018 -0.200 0.000 1.687 205 C CB 0.029 27.657 27.740 -0.187 0.000 2.270 205 C HN 0.253 nan 8.230 nan 0.000 0.499 206 F N 1.298 121.261 119.950 0.023 0.000 2.563 206 F HA 0.469 4.996 4.527 0.000 0.000 0.316 206 F C -0.055 175.782 175.800 0.062 0.000 1.076 206 F CA -0.658 57.385 58.000 0.072 0.000 0.921 206 F CB 1.217 40.248 39.000 0.051 0.000 1.209 206 F HN 0.432 nan 8.300 nan 0.000 0.462 207 D N 1.894 122.467 120.400 0.288 0.000 2.454 207 D HA 0.320 4.961 4.640 0.001 0.000 0.247 207 D C 0.493 176.975 176.300 0.303 0.000 1.129 207 D CA -0.234 53.910 54.000 0.239 0.000 0.877 207 D CB 1.607 42.504 40.800 0.162 0.000 1.082 207 D HN 0.262 nan 8.370 nan 0.000 0.537 208 V N 3.308 123.335 119.914 0.187 0.000 2.358 208 V HA -0.173 3.947 4.120 0.001 0.000 0.246 208 V C 1.753 177.852 176.094 0.009 0.000 1.047 208 V CA 1.411 63.756 62.300 0.074 0.000 1.035 208 V CB -0.298 31.509 31.823 -0.028 0.000 0.658 208 V HN 0.503 nan 8.190 nan 0.000 0.452 209 D N -0.880 119.596 120.400 0.128 0.000 2.116 209 D HA -0.252 4.388 4.640 0.001 0.000 0.193 209 D C 1.726 178.115 176.300 0.149 0.000 0.998 209 D CA 1.791 55.890 54.000 0.165 0.000 0.836 209 D CB -0.335 40.596 40.800 0.217 0.000 0.951 209 D HN 0.676 nan 8.370 nan 0.000 0.449 210 W N 1.165 122.483 121.300 0.030 0.000 2.358 210 W HA -0.148 4.512 4.660 0.000 0.000 0.303 210 W C 2.074 178.594 176.519 0.002 0.000 1.208 210 W CA 0.810 58.174 57.345 0.031 0.000 1.274 210 W CB -0.404 29.093 29.460 0.063 0.000 1.138 210 W HN -0.016 nan 8.180 nan 0.000 0.515 211 L N 0.653 121.988 121.223 0.187 0.000 2.017 211 L HA -0.176 4.165 4.340 0.001 0.000 0.208 211 L C 2.257 179.053 176.870 -0.124 0.000 1.073 211 L CA 2.240 57.067 54.840 -0.021 0.000 0.745 211 L CB -1.418 40.779 42.059 0.230 0.000 0.894 211 L HN -0.020 nan 8.230 nan 0.000 0.432 212 V N -0.010 119.804 119.914 -0.167 0.000 2.392 212 V HA -0.309 3.812 4.120 0.001 0.000 0.249 212 V C 2.512 178.540 176.094 -0.110 0.000 1.059 212 V CA 2.080 64.248 62.300 -0.219 0.000 1.051 212 V CB -0.872 30.640 31.823 -0.519 0.000 0.658 212 V HN 0.491 nan 8.190 nan 0.000 0.455 213 K N -0.318 119.980 120.400 -0.170 0.000 2.362 213 K HA -0.124 4.197 4.320 0.001 0.000 0.200 213 K C 2.119 178.552 176.600 -0.277 0.000 1.046 213 K CA 0.663 56.844 56.287 -0.176 0.000 0.952 213 K CB -0.105 32.298 32.500 -0.163 0.000 0.753 213 K HN 0.445 nan 8.250 nan 0.000 0.466 214 Q N -0.185 119.354 119.800 -0.434 0.000 2.245 214 Q HA -0.021 4.319 4.340 0.001 0.000 0.201 214 Q C 0.223 176.022 176.000 -0.335 0.000 0.955 214 Q CA 0.934 56.414 55.803 -0.537 0.000 0.870 214 Q CB -0.244 27.943 28.738 -0.917 0.000 0.945 214 Q HN 0.298 nan 8.270 nan 0.000 0.461 215 Y N 1.492 121.636 120.300 -0.259 0.000 2.397 215 Y HA 0.119 4.670 4.550 0.000 0.000 0.335 215 Y C -1.709 174.125 175.900 -0.110 0.000 1.213 215 Y CA -2.283 55.745 58.100 -0.121 0.000 1.391 215 Y CB -0.188 38.245 38.460 -0.045 0.000 1.293 215 Y HN -0.017 nan 8.280 nan 0.000 0.557 216 P HA 0.010 nan 4.420 nan 0.000 0.268 216 P C -2.068 175.163 177.300 -0.115 0.000 1.205 216 P CA -0.972 62.041 63.100 -0.146 0.000 0.771 216 P CB 0.464 31.920 31.700 -0.407 0.000 0.858 217 P HA -0.252 nan 4.420 nan 0.000 0.216 217 P C 1.414 178.670 177.300 -0.073 0.000 1.154 217 P CA 1.654 64.712 63.100 -0.070 0.000 0.865 217 P CB -0.273 31.383 31.700 -0.073 0.000 0.789 218 E N -1.049 119.039 120.200 -0.187 0.000 2.204 218 E HA -0.164 4.186 4.350 0.001 0.000 0.195 218 E C 1.187 177.830 176.600 0.072 0.000 0.990 218 E CA 1.334 57.645 56.400 -0.148 0.000 0.821 218 E CB -1.069 28.463 29.700 -0.281 0.000 0.750 218 E HN 0.279 nan 8.360 nan 0.000 0.477 219 F N 0.812 120.802 119.950 0.067 0.000 2.727 219 F HA 0.349 4.876 4.527 0.001 0.000 0.302 219 F C 2.130 177.952 175.800 0.037 0.000 1.097 219 F CA -0.713 57.341 58.000 0.091 0.000 1.330 219 F CB -0.252 38.857 39.000 0.182 0.000 1.084 219 F HN -0.105 nan 8.300 nan 0.000 0.578 220 R N 0.547 121.145 120.500 0.164 0.000 2.193 220 R HA -0.095 4.245 4.340 0.001 0.000 0.229 220 R C 1.560 177.848 176.300 -0.020 0.000 1.110 220 R CA 1.013 57.126 56.100 0.022 0.000 0.988 220 R CB -0.071 30.244 30.300 0.026 0.000 0.871 220 R HN 0.209 nan 8.270 nan 0.000 0.458 221 K N -0.077 120.346 120.400 0.038 0.000 2.393 221 K HA 0.060 4.381 4.320 0.001 0.000 0.193 221 K C -0.022 176.584 176.600 0.010 0.000 1.026 221 K CA 0.122 56.425 56.287 0.026 0.000 1.064 221 K CB 0.457 32.983 32.500 0.043 0.000 0.833 221 K HN -0.100 nan 8.250 nan 0.000 0.521 222 K N 1.777 122.185 120.400 0.013 0.000 2.295 222 K HA 0.147 4.468 4.320 0.001 0.000 0.270 222 K C -2.578 173.991 176.600 -0.051 0.000 1.011 222 K CA -2.200 54.085 56.287 -0.004 0.000 0.953 222 K CB -0.126 32.378 32.500 0.007 0.000 0.956 222 K HN -0.144 nan 8.250 nan 0.000 0.477 223 P HA 0.160 nan 4.420 nan 0.000 0.268 223 P C -0.436 176.858 177.300 -0.010 0.000 1.204 223 P CA 0.295 63.385 63.100 -0.017 0.000 0.768 223 P CB 0.364 32.068 31.700 0.006 0.000 0.842 224 I N 2.954 123.500 120.570 -0.040 0.000 2.499 224 I HA 0.318 4.488 4.170 0.001 0.000 0.288 224 I C -0.669 175.434 176.117 -0.023 0.000 1.048 224 I CA -1.024 60.251 61.300 -0.041 0.000 1.062 224 I CB 2.034 39.930 38.000 -0.174 0.000 1.238 224 I HN 0.130 nan 8.210 nan 0.000 0.426 225 L N 7.639 128.869 121.223 0.012 0.000 2.296 225 L HA 0.569 4.909 4.340 0.001 0.000 0.286 225 L C -1.155 175.631 176.870 -0.140 0.000 1.023 225 L CA -0.137 54.673 54.840 -0.050 0.000 0.812 225 L CB 1.139 43.212 42.059 0.023 0.000 1.223 225 L HN 0.439 nan 8.230 nan 0.000 0.421 226 L N 6.227 127.333 121.223 -0.195 0.000 2.264 226 L HA 0.517 4.857 4.340 0.001 0.000 0.289 226 L C -0.708 175.998 176.870 -0.273 0.000 1.044 226 L CA -0.857 53.828 54.840 -0.258 0.000 0.807 226 L CB 1.579 43.304 42.059 -0.556 0.000 1.192 226 L HN 0.328 nan 8.230 nan 0.000 0.425 227 V N 3.748 123.494 119.914 -0.280 0.000 2.328 227 V HA 0.411 4.532 4.120 0.001 0.000 0.278 227 V C -0.031 175.920 176.094 -0.239 0.000 1.021 227 V CA -0.531 61.487 62.300 -0.470 0.000 0.838 227 V CB 0.720 31.935 31.823 -1.013 0.000 0.999 227 V HN 0.788 nan 8.190 nan 0.000 0.447 228 H N 2.502 121.392 119.070 -0.300 0.000 2.931 228 H HA 0.670 5.227 4.556 0.001 0.000 0.331 228 H C 0.194 175.448 175.328 -0.122 0.000 1.273 228 H CA -0.559 55.463 56.048 -0.043 0.000 1.171 228 H CB 2.505 32.295 29.762 0.048 0.000 1.898 228 H HN 0.493 nan 8.280 nan 0.000 0.562 229 G N 0.170 109.143 108.800 0.288 0.000 3.839 229 G HA2 0.077 4.037 3.960 0.001 0.000 0.286 229 G HA3 0.077 4.037 3.960 0.001 0.000 0.286 229 G C -0.601 174.522 174.900 0.372 0.000 1.005 229 G CA -0.249 44.994 45.100 0.239 0.000 0.824 229 G HN 0.491 nan 8.290 nan 0.000 0.489 230 D N 1.415 122.166 120.400 0.585 0.000 2.399 230 D HA 0.280 4.920 4.640 0.001 0.000 0.241 230 D C 0.355 176.814 176.300 0.266 0.000 1.133 230 D CA 0.772 54.980 54.000 0.347 0.000 0.890 230 D CB 1.295 42.194 40.800 0.165 0.000 1.201 230 D HN 0.140 nan 8.370 nan 0.000 0.432 231 K N 1.360 121.869 120.400 0.181 0.000 2.395 231 K HA 0.387 4.707 4.320 0.001 0.000 0.247 231 K C 0.815 177.475 176.600 0.100 0.000 0.973 231 K CA -0.801 55.564 56.287 0.131 0.000 0.828 231 K CB 2.938 35.499 32.500 0.100 0.000 1.272 231 K HN 0.537 nan 8.250 nan 0.000 0.439 232 R N 0.007 120.552 120.500 0.075 0.000 3.667 232 R HA -0.395 3.945 4.340 0.001 0.000 0.512 232 R C 1.123 177.458 176.300 0.059 0.000 0.242 232 R CA 2.047 58.179 56.100 0.054 0.000 1.587 232 R CB -1.188 29.137 30.300 0.041 0.000 0.889 232 R HN 0.679 nan 8.270 nan 0.000 0.605 233 E N 0.946 121.180 120.200 0.057 0.000 2.106 233 E HA 0.021 4.371 4.350 0.001 0.000 0.192 233 E C 2.189 178.843 176.600 0.091 0.000 0.984 233 E CA 1.922 58.359 56.400 0.062 0.000 0.806 233 E CB -0.266 29.462 29.700 0.046 0.000 0.750 233 E HN 0.555 nan 8.360 nan 0.000 0.458 234 A N 0.973 123.850 122.820 0.095 0.000 1.908 234 A HA -0.263 4.058 4.320 0.001 0.000 0.218 234 A C 2.132 179.781 177.584 0.109 0.000 1.181 234 A CA 1.925 54.031 52.037 0.115 0.000 0.627 234 A CB -0.561 18.507 19.000 0.114 0.000 0.818 234 A HN 0.218 nan 8.150 nan 0.000 0.445 235 K N -0.364 120.093 120.400 0.095 0.000 2.002 235 K HA -0.125 4.195 4.320 0.001 0.000 0.209 235 K C 2.226 178.889 176.600 0.105 0.000 1.048 235 K CA 1.327 57.665 56.287 0.085 0.000 0.930 235 K CB -0.400 32.181 32.500 0.136 0.000 0.714 235 K HN 0.351 nan 8.250 nan 0.000 0.438 236 A N 0.749 123.621 122.820 0.086 0.000 1.917 236 A HA -0.270 4.050 4.320 0.001 0.000 0.219 236 A C 1.997 179.650 177.584 0.115 0.000 1.182 236 A CA 2.230 54.312 52.037 0.074 0.000 0.633 236 A CB -1.075 17.957 19.000 0.053 0.000 0.819 236 A HN 0.651 nan 8.150 nan 0.000 0.448 237 H N -0.855 118.234 119.070 0.032 0.000 2.387 237 H HA -0.068 4.488 4.556 0.001 0.000 0.299 237 H C 1.742 177.077 175.328 0.012 0.000 1.090 237 H CA 1.685 57.748 56.048 0.026 0.000 1.332 237 H CB -0.250 29.526 29.762 0.023 0.000 1.386 237 H HN 0.322 nan 8.280 nan 0.000 0.516 238 L N -0.056 121.101 121.223 -0.110 0.000 2.046 238 L HA -0.181 4.160 4.340 0.001 0.000 0.208 238 L C 2.186 178.914 176.870 -0.237 0.000 1.077 238 L CA 1.905 56.593 54.840 -0.254 0.000 0.747 238 L CB -0.960 40.889 42.059 -0.350 0.000 0.896 238 L HN 0.440 nan 8.230 nan 0.000 0.432 239 H N -0.741 118.220 119.070 -0.181 0.000 2.352 239 H HA -0.104 4.452 4.556 0.001 0.000 0.299 239 H C 2.065 177.332 175.328 -0.101 0.000 1.097 239 H CA 1.453 57.429 56.048 -0.120 0.000 1.311 239 H CB 0.021 29.742 29.762 -0.068 0.000 1.377 239 H HN 0.523 nan 8.280 nan 0.000 0.504 240 A N 1.042 123.868 122.820 0.010 0.000 1.902 240 A HA -0.206 4.114 4.320 0.001 0.000 0.217 240 A C 2.347 179.887 177.584 -0.073 0.000 1.181 240 A CA 1.484 53.507 52.037 -0.024 0.000 0.623 240 A CB -0.566 18.428 19.000 -0.010 0.000 0.818 240 A HN 0.454 nan 8.150 nan 0.000 0.443 241 Q N -1.003 118.686 119.800 -0.184 0.000 2.135 241 Q HA -0.163 4.178 4.340 0.001 0.000 0.204 241 Q C 2.299 178.306 176.000 0.011 0.000 0.981 241 Q CA 1.501 57.231 55.803 -0.122 0.000 0.856 241 Q CB -0.302 28.314 28.738 -0.204 0.000 0.902 241 Q HN 0.711 nan 8.270 nan 0.000 0.425 242 A N 0.592 123.388 122.820 -0.040 0.000 2.072 242 A HA -0.089 4.231 4.320 0.001 0.000 0.216 242 A C 1.851 179.487 177.584 0.087 0.000 1.156 242 A CA 0.573 52.625 52.037 0.025 0.000 0.701 242 A CB -0.172 18.745 19.000 -0.138 0.000 0.816 242 A HN 0.156 nan 8.150 nan 0.000 0.458 243 K N 0.085 120.501 120.400 0.026 0.000 2.077 243 K HA -0.195 4.125 4.320 0.001 0.000 0.213 243 K C -0.978 175.599 176.600 -0.038 0.000 1.051 243 K CA 2.104 58.395 56.287 0.007 0.000 0.929 243 K CB -0.872 31.628 32.500 0.001 0.000 0.715 243 K HN 0.369 nan 8.250 nan 0.000 0.451 244 P HA -0.104 nan 4.420 nan 0.000 0.225 244 P C -0.635 176.402 177.300 -0.438 0.000 1.148 244 P CA 1.103 63.998 63.100 -0.342 0.000 0.779 244 P CB 0.105 31.459 31.700 -0.577 0.000 0.780 245 Y N -0.503 119.770 120.300 -0.044 0.000 2.587 245 Y HA 0.258 4.808 4.550 0.001 0.000 0.328 245 Y C 1.382 177.249 175.900 -0.054 0.000 0.980 245 Y CA -0.554 57.514 58.100 -0.053 0.000 1.272 245 Y CB 0.472 38.891 38.460 -0.068 0.000 1.094 245 Y HN -0.141 nan 8.280 nan 0.000 0.503 246 E N 1.519 121.750 120.200 0.052 0.000 2.409 246 E HA -0.166 4.184 4.350 0.001 0.000 0.198 246 E C 1.148 177.761 176.600 0.022 0.000 1.024 246 E CA 0.751 57.166 56.400 0.024 0.000 0.861 246 E CB 0.175 29.877 29.700 0.004 0.000 0.788 246 E HN 0.724 nan 8.360 nan 0.000 0.521 247 N N 0.613 119.331 118.700 0.030 0.000 2.461 247 N HA -0.051 4.689 4.740 0.001 0.000 0.188 247 N C 0.437 175.933 175.510 -0.024 0.000 1.134 247 N CA 0.363 53.413 53.050 -0.000 0.000 0.878 247 N CB 0.183 38.663 38.487 -0.010 0.000 0.972 247 N HN 0.116 nan 8.380 nan 0.000 0.456 248 I N 1.049 121.607 120.570 -0.020 0.000 2.377 248 I HA 0.197 4.368 4.170 0.001 0.000 0.293 248 I C -0.228 175.849 176.117 -0.066 0.000 0.987 248 I CA -0.503 60.758 61.300 -0.063 0.000 1.185 248 I CB 1.589 39.536 38.000 -0.089 0.000 1.341 248 I HN -0.077 nan 8.210 nan 0.000 0.455 249 S N 6.328 121.982 115.700 -0.076 0.000 2.648 249 S HA 0.802 5.272 4.470 0.001 0.000 0.305 249 S C -0.697 173.824 174.600 -0.131 0.000 1.094 249 S CA -0.741 57.413 58.200 -0.077 0.000 0.983 249 S CB 2.241 65.423 63.200 -0.030 0.000 1.101 249 S HN 0.250 nan 8.310 nan 0.000 0.514 250 L N 0.861 122.002 121.223 -0.136 0.000 2.341 250 L HA 0.684 5.024 4.340 0.001 0.000 0.267 250 L C -0.692 176.128 176.870 -0.084 0.000 1.009 250 L CA -0.443 54.314 54.840 -0.139 0.000 0.819 250 L CB 1.773 43.701 42.059 -0.217 0.000 1.323 250 L HN 0.862 nan 8.230 nan 0.000 0.425 251 C N 2.137 121.335 119.300 -0.169 0.000 2.383 251 C HA 0.429 4.889 4.460 0.001 0.000 0.330 251 C C -0.375 174.328 174.990 -0.479 0.000 1.168 251 C CA -0.601 58.275 59.018 -0.236 0.000 1.374 251 C CB 0.725 28.305 27.740 -0.266 0.000 2.014 251 C HN 0.887 nan 8.230 nan 0.000 0.439 252 Q N 4.717 124.286 119.800 -0.386 0.000 2.337 252 Q HA 0.528 4.869 4.340 0.001 0.000 0.255 252 Q C 0.192 176.019 176.000 -0.287 0.000 0.997 252 Q CA -0.107 55.373 55.803 -0.540 0.000 0.925 252 Q CB 1.231 29.870 28.738 -0.165 0.000 1.212 252 Q HN 0.959 nan 8.270 nan 0.000 0.436 253 A N 4.972 127.581 122.820 -0.351 0.000 2.488 253 A HA 0.132 4.452 4.320 0.001 0.000 0.249 253 A C -0.100 177.466 177.584 -0.030 0.000 1.083 253 A CA -0.325 51.596 52.037 -0.193 0.000 0.768 253 A CB 0.123 18.813 19.000 -0.517 0.000 1.017 253 A HN 0.810 nan 8.150 nan 0.000 0.496 254 K N 2.567 123.008 120.400 0.068 0.000 2.379 254 K HA 0.386 4.706 4.320 0.001 0.000 0.284 254 K C -1.253 175.449 176.600 0.171 0.000 1.044 254 K CA 0.042 56.386 56.287 0.096 0.000 0.974 254 K CB 0.408 32.948 32.500 0.067 0.000 0.962 254 K HN 0.506 nan 8.250 nan 0.000 0.474 255 L N 4.018 125.313 121.223 0.121 0.000 2.408 255 L HA 0.162 4.503 4.340 0.001 0.000 0.257 255 L C -0.199 176.686 176.870 0.025 0.000 1.053 255 L CA -0.515 54.387 54.840 0.104 0.000 0.922 255 L CB 1.151 43.294 42.059 0.139 0.000 1.261 255 L HN 0.757 nan 8.230 nan 0.000 0.458 256 D N 1.804 122.197 120.400 -0.012 0.000 2.349 256 D HA 0.223 4.864 4.640 0.001 0.000 0.215 256 D C 0.676 176.946 176.300 -0.050 0.000 1.016 256 D CA 0.673 54.654 54.000 -0.033 0.000 0.870 256 D CB 0.886 41.662 40.800 -0.040 0.000 0.917 256 D HN 0.315 nan 8.370 nan 0.000 0.524 257 I N 1.021 121.558 120.570 -0.054 0.000 2.460 257 I HA 0.327 4.497 4.170 0.001 0.000 0.298 257 I C 0.444 176.536 176.117 -0.041 0.000 0.989 257 I CA -1.117 60.153 61.300 -0.050 0.000 1.173 257 I CB 1.770 39.735 38.000 -0.059 0.000 1.338 257 I HN -0.187 nan 8.210 nan 0.000 0.456 258 A N 4.590 127.385 122.820 -0.041 0.000 2.462 258 A HA 0.317 4.638 4.320 0.001 0.000 0.243 258 A C 0.100 177.695 177.584 0.018 0.000 1.076 258 A CA 0.136 52.102 52.037 -0.117 0.000 0.773 258 A CB -0.422 18.512 19.000 -0.110 0.000 1.010 258 A HN 0.755 nan 8.150 nan 0.000 0.493 259 F N -0.701 119.256 119.950 0.012 0.000 3.034 259 F HA -0.201 4.326 4.527 0.000 0.000 0.286 259 F C 1.250 177.044 175.800 -0.009 0.000 0.804 259 F CA 0.903 58.909 58.000 0.009 0.000 1.161 259 F CB -1.695 37.302 39.000 -0.005 0.000 1.317 259 F HN 0.907 nan 8.300 nan 0.000 0.453 260 G N -0.177 108.680 108.800 0.095 0.000 2.502 260 G HA2 0.610 4.571 3.960 0.001 0.000 0.305 260 G HA3 0.610 4.571 3.960 0.001 0.000 0.305 260 G C -0.150 174.805 174.900 0.093 0.000 1.190 260 G CA 0.216 45.351 45.100 0.060 0.000 0.933 260 G HN 0.488 nan 8.290 nan 0.000 0.503 261 T N -2.744 111.860 114.554 0.083 0.000 2.900 261 T HA 0.353 4.703 4.350 0.001 0.000 0.303 261 T C -0.910 173.955 174.700 0.274 0.000 1.142 261 T CA -0.793 61.391 62.100 0.138 0.000 1.007 261 T CB 1.793 70.601 68.868 -0.099 0.000 1.156 261 T HN 0.615 nan 8.240 nan 0.000 0.490 262 H N 2.435 121.687 119.070 0.305 0.000 3.008 262 H HA 0.218 4.775 4.556 0.000 0.000 0.268 262 H C 0.295 175.830 175.328 0.346 0.000 1.323 262 H CA 0.059 56.306 56.048 0.332 0.000 1.401 262 H CB 0.069 29.953 29.762 0.203 0.000 1.556 262 H HN 0.857 nan 8.280 nan 0.000 0.502 263 H N 3.325 122.334 119.070 -0.103 0.000 2.648 263 H HA 0.065 4.621 4.556 0.000 0.000 0.265 263 H C -0.073 175.201 175.328 -0.090 0.000 0.961 263 H CA 0.024 56.014 56.048 -0.096 0.000 1.185 263 H CB 0.898 30.565 29.762 -0.157 0.000 1.449 263 H HN 0.457 nan 8.280 nan 0.000 0.523 264 T N 2.318 116.768 114.554 -0.173 0.000 2.905 264 T HA -0.029 4.321 4.350 0.001 0.000 0.299 264 T C 0.001 174.667 174.700 -0.058 0.000 1.024 264 T CA 0.594 62.627 62.100 -0.112 0.000 1.151 264 T CB 0.358 69.223 68.868 -0.005 0.000 0.987 264 T HN 0.201 nan 8.240 nan 0.000 0.535 265 K N 3.606 123.921 120.400 -0.142 0.000 2.389 265 K HA 0.595 4.915 4.320 0.001 0.000 0.261 265 K C -0.400 176.105 176.600 -0.158 0.000 1.014 265 K CA -0.195 55.941 56.287 -0.252 0.000 0.920 265 K CB 1.275 33.383 32.500 -0.654 0.000 1.149 265 K HN 0.535 nan 8.250 nan 0.000 0.444 266 M N 3.219 122.922 119.600 0.172 0.000 2.465 266 M HA 0.477 4.958 4.480 0.001 0.000 0.284 266 M C -1.935 174.598 176.300 0.388 0.000 1.212 266 M CA -0.527 54.927 55.300 0.256 0.000 0.910 266 M CB 1.772 34.337 32.600 -0.060 0.000 1.725 266 M HN 0.504 nan 8.290 nan 0.000 0.477 267 M N 5.135 124.924 119.600 0.316 0.000 2.311 267 M HA 0.527 5.008 4.480 0.001 0.000 0.325 267 M C -1.575 174.779 176.300 0.090 0.000 1.061 267 M CA -0.665 54.761 55.300 0.209 0.000 0.957 267 M CB 2.015 34.695 32.600 0.133 0.000 1.646 267 M HN 0.573 nan 8.290 nan 0.000 0.434 268 L N 5.038 126.230 121.223 -0.051 0.000 2.305 268 L HA 0.608 4.948 4.340 0.001 0.000 0.284 268 L C -1.108 175.638 176.870 -0.207 0.000 1.013 268 L CA -0.577 54.150 54.840 -0.189 0.000 0.819 268 L CB 1.203 42.944 42.059 -0.529 0.000 1.227 268 L HN 0.632 nan 8.230 nan 0.000 0.417 269 L N 5.097 126.261 121.223 -0.099 0.000 2.316 269 L HA 0.445 4.785 4.340 0.001 0.000 0.280 269 L C -0.694 175.954 176.870 -0.371 0.000 1.006 269 L CA -0.553 54.139 54.840 -0.246 0.000 0.836 269 L CB 1.956 43.836 42.059 -0.300 0.000 1.221 269 L HN 0.403 nan 8.230 nan 0.000 0.418 270 L N 4.195 125.306 121.223 -0.187 0.000 2.264 270 L HA 0.528 4.869 4.340 0.001 0.000 0.289 270 L C -0.989 175.679 176.870 -0.337 0.000 1.044 270 L CA 0.188 54.949 54.840 -0.132 0.000 0.807 270 L CB 0.476 42.586 42.059 0.085 0.000 1.192 270 L HN 0.242 nan 8.230 nan 0.000 0.425 271 Y N 2.192 122.534 120.300 0.069 0.000 2.621 271 Y HA 0.372 4.922 4.550 0.000 0.000 0.334 271 Y C 1.268 177.202 175.900 0.057 0.000 1.074 271 Y CA -0.721 57.395 58.100 0.026 0.000 1.149 271 Y CB 1.086 39.563 38.460 0.027 0.000 1.302 271 Y HN 0.626 nan 8.280 nan 0.000 0.501 272 E N 0.182 120.517 120.200 0.226 0.000 2.153 272 E HA -0.193 4.158 4.350 0.001 0.000 0.194 272 E C 0.707 177.402 176.600 0.159 0.000 0.988 272 E CA 1.603 58.092 56.400 0.148 0.000 0.811 272 E CB 0.139 29.903 29.700 0.107 0.000 0.746 272 E HN 0.670 nan 8.360 nan 0.000 0.466 273 E N -0.861 119.448 120.200 0.181 0.000 2.474 273 E HA 0.168 4.518 4.350 0.001 0.000 0.194 273 E C 0.426 177.142 176.600 0.194 0.000 1.041 273 E CA 0.364 56.843 56.400 0.133 0.000 0.874 273 E CB 1.236 30.963 29.700 0.045 0.000 0.914 273 E HN 0.258 nan 8.360 nan 0.000 0.498 274 G N -0.205 108.780 108.800 0.308 0.000 2.356 274 G HA2 0.206 4.166 3.960 0.001 0.000 0.266 274 G HA3 0.206 4.166 3.960 0.001 0.000 0.266 274 G C -2.106 172.994 174.900 0.333 0.000 1.312 274 G CA -0.747 44.581 45.100 0.379 0.000 0.922 274 G HN 0.061 nan 8.290 nan 0.000 0.480 275 L N 0.076 121.426 121.223 0.212 0.000 2.386 275 L HA 0.950 5.290 4.340 0.001 0.000 0.271 275 L C -0.137 176.854 176.870 0.202 0.000 0.993 275 L CA -0.728 54.160 54.840 0.079 0.000 0.819 275 L CB 2.073 43.948 42.059 -0.308 0.000 1.294 275 L HN 0.862 nan 8.230 nan 0.000 0.414 276 R N 3.187 123.791 120.500 0.174 0.000 2.670 276 R HA 0.854 5.194 4.340 0.001 0.000 0.289 276 R C -1.846 174.531 176.300 0.127 0.000 0.965 276 R CA -0.703 55.461 56.100 0.106 0.000 0.899 276 R CB 2.075 32.503 30.300 0.214 0.000 1.173 276 R HN 0.568 nan 8.270 nan 0.000 0.456 277 V N 4.304 124.296 119.914 0.130 0.000 2.495 277 V HA 0.462 4.582 4.120 0.001 0.000 0.298 277 V C -0.722 175.467 176.094 0.158 0.000 1.031 277 V CA -0.724 61.723 62.300 0.245 0.000 0.871 277 V CB 1.942 34.089 31.823 0.539 0.000 0.988 277 V HN 0.494 nan 8.190 nan 0.000 0.432 278 V N 6.241 126.289 119.914 0.224 0.000 2.444 278 V HA 0.554 4.674 4.120 0.001 0.000 0.294 278 V C -0.423 175.944 176.094 0.454 0.000 1.022 278 V CA -0.402 62.056 62.300 0.263 0.000 0.850 278 V CB 1.816 33.736 31.823 0.162 0.000 0.992 278 V HN 0.691 nan 8.190 nan 0.000 0.426 279 I N 5.690 126.623 120.570 0.605 0.000 2.389 279 I HA 0.650 4.820 4.170 0.001 0.000 0.288 279 I C -0.036 176.417 176.117 0.560 0.000 0.999 279 I CA -0.225 61.392 61.300 0.528 0.000 1.129 279 I CB 1.454 39.748 38.000 0.491 0.000 1.288 279 I HN 1.002 nan 8.210 nan 0.000 0.444 280 H N 1.536 120.772 119.070 0.277 0.000 3.393 280 H HA 0.545 5.102 4.556 0.000 0.000 0.302 280 H C 0.033 175.464 175.328 0.171 0.000 1.650 280 H CA -0.264 55.938 56.048 0.257 0.000 1.208 280 H CB 1.218 31.114 29.762 0.224 0.000 1.770 280 H HN 0.318 nan 8.280 nan 0.000 0.662 281 T N -2.401 112.210 114.554 0.097 0.000 3.058 281 T HA 0.339 4.690 4.350 0.001 0.000 0.278 281 T C -0.080 174.648 174.700 0.047 0.000 0.974 281 T CA -0.185 61.928 62.100 0.023 0.000 0.893 281 T CB -0.199 68.743 68.868 0.124 0.000 1.138 281 T HN 0.383 nan 8.240 nan 0.000 0.529 282 S N 2.744 118.461 115.700 0.028 0.000 2.525 282 S HA 0.425 4.896 4.470 0.001 0.000 0.278 282 S C 0.195 174.818 174.600 0.038 0.000 1.234 282 S CA -0.773 57.349 58.200 -0.130 0.000 1.058 282 S CB 0.640 63.393 63.200 -0.744 0.000 0.983 282 S HN 0.386 nan 8.310 nan 0.000 0.495 283 N N 1.517 120.186 118.700 -0.052 0.000 2.399 283 N HA 0.157 4.897 4.740 0.001 0.000 0.250 283 N C -0.350 175.267 175.510 0.178 0.000 1.272 283 N CA -0.057 52.995 53.050 0.004 0.000 0.928 283 N CB 0.462 38.913 38.487 -0.060 0.000 1.158 283 N HN 0.482 nan 8.380 nan 0.000 0.463 284 L N 2.618 123.887 121.223 0.076 0.000 2.648 284 L HA 0.367 4.708 4.340 0.001 0.000 0.238 284 L C 0.120 176.977 176.870 -0.020 0.000 1.316 284 L CA -0.144 54.853 54.840 0.261 0.000 1.241 284 L CB -0.824 41.378 42.059 0.238 0.000 1.499 284 L HN 0.327 nan 8.230 nan 0.000 0.411 285 I N -5.148 115.197 120.570 -0.374 0.000 2.865 285 I HA 0.301 4.471 4.170 0.001 0.000 0.302 285 I C 1.260 176.732 176.117 -1.074 0.000 1.140 285 I CA -0.869 60.021 61.300 -0.684 0.000 1.021 285 I CB 1.707 39.548 38.000 -0.265 0.000 1.233 285 I HN 0.133 nan 8.210 nan 0.000 0.427 286 H N 4.281 122.512 119.070 -1.399 0.000 2.319 286 H HA -0.208 4.348 4.556 0.001 0.000 0.297 286 H C 1.779 176.982 175.328 -0.208 0.000 1.097 286 H CA 2.909 58.444 56.048 -0.856 0.000 1.285 286 H CB 0.364 29.839 29.762 -0.477 0.000 1.368 286 H HN 0.876 nan 8.280 nan 0.000 0.495 287 A N 0.611 123.339 122.820 -0.153 0.000 1.978 287 A HA -0.185 4.135 4.320 0.001 0.000 0.220 287 A C 2.024 179.547 177.584 -0.101 0.000 1.170 287 A CA 1.915 53.917 52.037 -0.058 0.000 0.636 287 A CB -0.457 18.543 19.000 -0.000 0.000 0.810 287 A HN 0.477 nan 8.150 nan 0.000 0.448 288 D N -2.475 117.836 120.400 -0.147 0.000 2.347 288 D HA -0.028 4.612 4.640 0.001 0.000 0.215 288 D C 0.688 176.813 176.300 -0.290 0.000 0.976 288 D CA 0.662 54.500 54.000 -0.270 0.000 0.884 288 D CB -0.101 40.477 40.800 -0.370 0.000 0.915 288 D HN 0.742 nan 8.370 nan 0.000 0.526 289 W N -1.438 119.798 121.300 -0.107 0.000 2.862 289 W HA 0.216 4.876 4.660 0.000 0.000 0.376 289 W C 1.655 178.217 176.519 0.071 0.000 1.028 289 W CA -0.432 56.939 57.345 0.044 0.000 1.757 289 W CB -0.018 29.552 29.460 0.184 0.000 1.128 289 W HN 0.018 nan 8.180 nan 0.000 0.566 290 H N 0.427 119.488 119.070 -0.016 0.000 2.297 290 H HA 0.152 4.709 4.556 0.001 0.000 0.317 290 H C 1.164 176.487 175.328 -0.008 0.000 1.062 290 H CA 1.750 57.757 56.048 -0.068 0.000 1.431 290 H CB 0.307 29.949 29.762 -0.200 0.000 1.452 290 H HN 0.004 nan 8.280 nan 0.000 0.565 291 Q N 0.272 119.995 119.800 -0.129 0.000 2.089 291 Q HA 0.228 4.568 4.340 0.001 0.000 0.248 291 Q C -0.717 175.210 176.000 -0.121 0.000 0.828 291 Q CA -0.202 55.491 55.803 -0.182 0.000 1.102 291 Q CB 1.515 30.130 28.738 -0.205 0.000 1.221 291 Q HN 0.266 nan 8.270 nan 0.000 0.455 292 K N 0.583 120.916 120.400 -0.112 0.000 2.185 292 K HA 0.465 4.785 4.320 0.001 0.000 0.240 292 K C -0.254 176.279 176.600 -0.113 0.000 0.983 292 K CA -0.645 55.559 56.287 -0.138 0.000 0.873 292 K CB 1.518 33.922 32.500 -0.161 0.000 1.118 292 K HN -0.204 nan 8.250 nan 0.000 0.441 293 T N 3.017 117.494 114.554 -0.129 0.000 2.727 293 T HA 0.152 4.502 4.350 0.001 0.000 0.298 293 T C -0.350 174.323 174.700 -0.045 0.000 0.942 293 T CA -0.465 61.603 62.100 -0.054 0.000 0.997 293 T CB 0.391 69.276 68.868 0.027 0.000 0.917 293 T HN 0.270 nan 8.240 nan 0.000 0.487 294 Q N 1.508 121.294 119.800 -0.023 0.000 2.433 294 Q HA 0.649 4.989 4.340 0.001 0.000 0.279 294 Q C -0.096 175.962 176.000 0.096 0.000 1.105 294 Q CA -0.938 54.869 55.803 0.006 0.000 0.815 294 Q CB 2.749 31.392 28.738 -0.159 0.000 1.403 294 Q HN 0.754 nan 8.270 nan 0.000 0.435 295 G N 0.729 109.666 108.800 0.228 0.000 2.420 295 G HA2 0.765 4.726 3.960 0.001 0.000 0.331 295 G HA3 0.765 4.726 3.960 0.001 0.000 0.331 295 G C -0.768 174.403 174.900 0.452 0.000 1.168 295 G CA -0.429 44.921 45.100 0.416 0.000 0.936 295 G HN 0.427 nan 8.290 nan 0.000 0.479 296 I N 0.263 121.142 120.570 0.514 0.000 2.619 296 I HA 0.370 4.540 4.170 0.001 0.000 0.292 296 I C -1.485 175.099 176.117 0.778 0.000 1.100 296 I CA -0.671 60.963 61.300 0.558 0.000 1.043 296 I CB 2.853 41.082 38.000 0.382 0.000 1.239 296 I HN 0.608 nan 8.210 nan 0.000 0.420 297 W N 7.885 129.521 121.300 0.560 0.000 2.532 297 W HA 0.673 5.334 4.660 0.000 0.000 0.321 297 W C -1.946 174.817 176.519 0.407 0.000 1.037 297 W CA -0.660 57.018 57.345 0.555 0.000 1.220 297 W CB 1.076 30.827 29.460 0.486 0.000 1.361 297 W HN 0.264 nan 8.180 nan 0.000 0.468 298 L N 7.021 128.007 121.223 -0.395 0.000 2.280 298 L HA 0.324 4.664 4.340 0.001 0.000 0.287 298 L C 0.886 177.018 176.870 -1.230 0.000 1.023 298 L CA -0.749 53.748 54.840 -0.572 0.000 0.819 298 L CB 1.335 43.307 42.059 -0.145 0.000 1.212 298 L HN 0.632 nan 8.230 nan 0.000 0.420 299 S N 4.155 119.029 115.700 -1.377 0.000 2.608 299 S HA 0.463 4.934 4.470 0.001 0.000 0.261 299 S C -2.400 171.781 174.600 -0.700 0.000 1.314 299 S CA -1.052 56.438 58.200 -1.184 0.000 0.992 299 S CB 0.637 63.376 63.200 -0.769 0.000 0.935 299 S HN 0.306 nan 8.310 nan 0.000 0.564 300 P HA 0.224 nan 4.420 nan 0.000 0.273 300 P C -0.610 176.327 177.300 -0.604 0.000 1.250 300 P CA -0.737 62.086 63.100 -0.461 0.000 0.793 300 P CB 0.176 31.715 31.700 -0.267 0.000 1.011 301 L N 2.213 123.243 121.223 -0.321 0.000 2.456 301 L HA 0.160 4.500 4.340 0.001 0.000 0.277 301 L C -0.965 175.865 176.870 -0.067 0.000 1.124 301 L CA -0.027 54.704 54.840 -0.182 0.000 0.880 301 L CB -1.449 40.545 42.059 -0.109 0.000 1.192 301 L HN 0.144 nan 8.230 nan 0.000 0.463 302 Y N 7.356 127.719 120.300 0.105 0.000 2.404 302 Y HA 0.416 4.966 4.550 0.000 0.000 0.344 302 Y C -1.872 174.165 175.900 0.230 0.000 0.995 302 Y CA -2.949 55.239 58.100 0.147 0.000 1.201 302 Y CB -0.071 38.484 38.460 0.158 0.000 1.151 302 Y HN 0.558 nan 8.280 nan 0.000 0.517 303 P HA 0.151 nan 4.420 nan 0.000 0.274 303 P C -0.323 177.138 177.300 0.268 0.000 1.246 303 P CA -0.617 62.641 63.100 0.264 0.000 0.795 303 P CB 1.135 32.927 31.700 0.153 0.000 1.006 304 R N 1.442 122.003 120.500 0.101 0.000 2.490 304 R HA 0.363 4.703 4.340 0.001 0.000 0.278 304 R C 0.066 176.302 176.300 -0.106 0.000 1.069 304 R CA -0.738 55.219 56.100 -0.239 0.000 1.080 304 R CB 0.076 30.211 30.300 -0.275 0.000 1.030 304 R HN 0.450 nan 8.270 nan 0.000 0.491 305 I N 3.378 123.873 120.570 -0.126 0.000 2.471 305 I HA 0.054 4.224 4.170 0.001 0.000 0.286 305 I C 0.539 176.620 176.117 -0.060 0.000 1.079 305 I CA -0.059 61.211 61.300 -0.050 0.000 1.398 305 I CB 1.293 39.280 38.000 -0.022 0.000 1.403 305 I HN 0.679 nan 8.210 nan 0.000 0.530 306 A N 4.988 127.783 122.820 -0.041 0.000 2.505 306 A HA 0.260 4.580 4.320 0.001 0.000 0.271 306 A C 0.619 178.161 177.584 -0.070 0.000 1.112 306 A CA 0.134 52.143 52.037 -0.046 0.000 0.781 306 A CB -0.867 18.114 19.000 -0.032 0.000 1.059 306 A HN 0.874 nan 8.150 nan 0.000 0.508 307 D N 1.409 121.769 120.400 -0.067 0.000 2.583 307 D HA 0.461 5.102 4.640 0.001 0.000 0.232 307 D C 1.493 177.731 176.300 -0.102 0.000 1.128 307 D CA 0.819 54.772 54.000 -0.079 0.000 0.859 307 D CB 0.150 40.916 40.800 -0.056 0.000 1.169 307 D HN 2.131 nan 8.370 nan 0.000 0.481 308 G N 0.684 109.387 108.800 -0.163 0.000 2.284 308 G HA2 -0.121 3.839 3.960 0.001 0.000 0.216 308 G HA3 -0.121 3.839 3.960 0.001 0.000 0.216 308 G C 0.892 175.563 174.900 -0.383 0.000 1.009 308 G CA 0.777 45.756 45.100 -0.202 0.000 0.625 308 G HN 1.233 nan 8.290 nan 0.000 0.501 309 T N 0.754 115.120 114.554 -0.313 0.000 2.918 309 T HA 0.608 4.958 4.350 0.001 0.000 0.283 309 T C -0.503 173.929 174.700 -0.446 0.000 1.001 309 T CA -0.139 61.763 62.100 -0.329 0.000 1.041 309 T CB 0.541 69.349 68.868 -0.099 0.000 1.028 309 T HN 0.374 nan 8.240 nan 0.000 0.511 310 H N 2.090 121.169 119.070 0.014 0.000 2.645 310 H HA 0.540 5.096 4.556 0.001 0.000 0.257 310 H C -0.434 174.907 175.328 0.022 0.000 1.269 310 H CA -0.623 55.434 56.048 0.015 0.000 1.409 310 H CB 0.411 30.181 29.762 0.013 0.000 1.434 310 H HN 0.265 nan 8.280 nan 0.000 0.505 311 K N 0.419 120.877 120.400 0.096 0.000 2.422 311 K HA 0.242 4.562 4.320 0.001 0.000 0.251 311 K C 0.651 177.297 176.600 0.077 0.000 0.933 311 K CA -0.525 55.811 56.287 0.082 0.000 0.798 311 K CB 2.150 34.687 32.500 0.062 0.000 1.238 311 K HN 0.501 nan 8.250 nan 0.000 0.428 312 S N 0.893 116.639 115.700 0.077 0.000 2.387 312 S HA -0.014 4.457 4.470 0.001 0.000 0.226 312 S C 1.454 176.104 174.600 0.083 0.000 1.026 312 S CA 0.894 59.142 58.200 0.080 0.000 0.972 312 S CB -0.395 62.849 63.200 0.073 0.000 0.814 312 S HN 1.035 nan 8.310 nan 0.000 0.477 313 G N 0.775 109.620 108.800 0.075 0.000 2.179 313 G HA2 -0.279 3.681 3.960 0.001 0.000 0.257 313 G HA3 -0.279 3.681 3.960 0.001 0.000 0.257 313 G C -0.150 174.787 174.900 0.063 0.000 1.010 313 G CA 0.507 45.648 45.100 0.069 0.000 0.736 313 G HN 0.770 nan 8.290 nan 0.000 0.513 314 E N 0.776 121.022 120.200 0.076 0.000 2.319 314 E HA 0.662 5.012 4.350 0.001 0.000 0.268 314 E C 0.756 177.413 176.600 0.096 0.000 1.050 314 E CA 0.137 56.593 56.400 0.093 0.000 0.878 314 E CB 0.899 30.665 29.700 0.110 0.000 1.066 314 E HN 0.585 nan 8.360 nan 0.000 0.406 315 S N 2.870 118.631 115.700 0.101 0.000 2.690 315 S HA 0.493 4.963 4.470 0.001 0.000 0.291 315 S C -1.861 172.749 174.600 0.017 0.000 1.138 315 S CA -1.181 57.051 58.200 0.053 0.000 1.013 315 S CB 1.364 64.580 63.200 0.027 0.000 1.053 315 S HN 0.440 nan 8.310 nan 0.000 0.539 316 P HA -0.031 nan 4.420 nan 0.000 0.222 316 P C 1.333 178.392 177.300 -0.402 0.000 1.147 316 P CA 1.366 64.372 63.100 -0.157 0.000 0.790 316 P CB -0.601 31.039 31.700 -0.101 0.000 0.780 317 T N -5.537 108.755 114.554 -0.437 0.000 3.148 317 T HA -0.017 4.333 4.350 0.001 0.000 0.253 317 T C 0.579 175.060 174.700 -0.365 0.000 1.134 317 T CA 0.066 61.686 62.100 -0.800 0.000 1.051 317 T CB -1.344 66.849 68.868 -1.124 0.000 0.959 317 T HN 0.290 nan 8.240 nan 0.000 0.525 318 H N -1.526 117.499 119.070 -0.076 0.000 2.899 318 H HA -0.191 4.365 4.556 0.000 0.000 0.282 318 H C 0.625 175.963 175.328 0.018 0.000 1.198 318 H CA 0.299 56.346 56.048 -0.002 0.000 1.140 318 H CB -2.209 27.566 29.762 0.021 0.000 1.317 318 H HN 0.437 nan 8.280 nan 0.000 0.375 319 F N 1.784 121.720 119.950 -0.023 0.000 2.126 319 F HA -0.210 4.317 4.527 0.000 0.000 0.299 319 F C 2.435 178.235 175.800 -0.001 0.000 1.096 319 F CA 2.309 60.289 58.000 -0.035 0.000 1.255 319 F CB -0.061 38.908 39.000 -0.051 0.000 0.997 319 F HN 0.182 nan 8.300 nan 0.000 0.479 320 K N 0.300 120.776 120.400 0.128 0.000 1.985 320 K HA -0.183 4.138 4.320 0.001 0.000 0.210 320 K C 2.250 178.818 176.600 -0.054 0.000 1.047 320 K CA 1.538 57.838 56.287 0.022 0.000 0.932 320 K CB -0.593 31.928 32.500 0.035 0.000 0.716 320 K HN 0.258 nan 8.250 nan 0.000 0.439 321 A N 1.111 123.921 122.820 -0.017 0.000 1.940 321 A HA -0.212 4.108 4.320 0.001 0.000 0.219 321 A C 1.780 179.340 177.584 -0.040 0.000 1.176 321 A CA 2.010 54.032 52.037 -0.025 0.000 0.631 321 A CB -0.916 18.065 19.000 -0.031 0.000 0.814 321 A HN 0.590 nan 8.150 nan 0.000 0.446 322 N N -0.652 118.007 118.700 -0.069 0.000 2.120 322 N HA -0.141 4.599 4.740 0.001 0.000 0.188 322 N C 1.655 177.107 175.510 -0.096 0.000 1.024 322 N CA 1.221 54.217 53.050 -0.090 0.000 0.852 322 N CB -0.205 38.210 38.487 -0.119 0.000 1.003 322 N HN 0.400 nan 8.380 nan 0.000 0.424 323 L N 1.384 122.452 121.223 -0.259 0.000 2.093 323 L HA -0.023 4.317 4.340 0.001 0.000 0.208 323 L C 1.760 178.645 176.870 0.025 0.000 1.085 323 L CA 1.327 56.048 54.840 -0.199 0.000 0.755 323 L CB -0.316 41.513 42.059 -0.383 0.000 0.904 323 L HN 0.179 nan 8.230 nan 0.000 0.435 324 I N -1.287 119.278 120.570 -0.008 0.000 2.252 324 I HA -0.265 3.905 4.170 0.001 0.000 0.245 324 I C 2.375 178.567 176.117 0.126 0.000 1.102 324 I CA 1.218 62.538 61.300 0.032 0.000 1.385 324 I CB -0.397 37.561 38.000 -0.070 0.000 1.064 324 I HN 0.181 nan 8.210 nan 0.000 0.414 325 S N -0.072 115.712 115.700 0.140 0.000 2.368 325 S HA -0.239 4.231 4.470 0.001 0.000 0.225 325 S C 1.957 176.794 174.600 0.394 0.000 1.030 325 S CA 1.335 59.671 58.200 0.226 0.000 0.999 325 S CB -0.451 62.841 63.200 0.154 0.000 0.844 325 S HN 0.443 nan 8.310 nan 0.000 0.459 326 Y N 2.310 122.801 120.300 0.317 0.000 2.097 326 Y HA -0.144 4.406 4.550 0.000 0.000 0.282 326 Y C 1.875 177.982 175.900 0.345 0.000 1.152 326 Y CA 1.465 59.776 58.100 0.351 0.000 1.136 326 Y CB -0.503 38.092 38.460 0.225 0.000 0.975 326 Y HN 0.151 nan 8.280 nan 0.000 0.498 327 L N -1.078 120.273 121.223 0.212 0.000 2.141 327 L HA -0.206 4.134 4.340 0.001 0.000 0.209 327 L C 2.282 179.279 176.870 0.212 0.000 1.094 327 L CA 1.650 56.586 54.840 0.160 0.000 0.763 327 L CB -0.885 41.263 42.059 0.149 0.000 0.908 327 L HN 0.185 nan 8.230 nan 0.000 0.437 328 T N 0.017 114.688 114.554 0.196 0.000 2.881 328 T HA -0.133 4.217 4.350 0.001 0.000 0.270 328 T C 1.952 176.765 174.700 0.188 0.000 1.068 328 T CA 1.174 63.385 62.100 0.186 0.000 1.131 328 T CB -0.131 68.843 68.868 0.177 0.000 0.871 328 T HN 0.451 nan 8.240 nan 0.000 0.479 329 A N 0.076 122.999 122.820 0.172 0.000 2.067 329 A HA -0.030 4.291 4.320 0.001 0.000 0.219 329 A C 1.783 179.417 177.584 0.084 0.000 1.158 329 A CA 0.981 53.066 52.037 0.081 0.000 0.661 329 A CB -0.763 18.168 19.000 -0.114 0.000 0.801 329 A HN 0.554 nan 8.150 nan 0.000 0.452 330 Y N -0.798 119.515 120.300 0.021 0.000 2.373 330 Y HA -0.044 4.507 4.550 0.000 0.000 0.293 330 Y C 1.201 177.132 175.900 0.051 0.000 1.129 330 Y CA 0.675 58.813 58.100 0.063 0.000 1.226 330 Y CB -0.526 37.941 38.460 0.012 0.000 1.000 330 Y HN 0.574 nan 8.280 nan 0.000 0.549 331 N N -0.326 118.499 118.700 0.208 0.000 2.738 331 N HA -0.188 4.553 4.740 0.001 0.000 0.249 331 N C -0.875 174.707 175.510 0.120 0.000 1.047 331 N CA 0.004 53.135 53.050 0.134 0.000 0.707 331 N CB -0.855 37.690 38.487 0.097 0.000 0.937 331 N HN 0.271 nan 8.380 nan 0.000 0.545 332 A N 0.338 123.237 122.820 0.131 0.000 2.318 332 A HA 0.590 4.910 4.320 0.001 0.000 0.317 332 A C -1.438 176.185 177.584 0.064 0.000 1.159 332 A CA -1.333 50.755 52.037 0.084 0.000 0.799 332 A CB 1.214 20.256 19.000 0.070 0.000 1.194 332 A HN 0.108 nan 8.150 nan 0.000 0.479 333 P HA -0.218 nan 4.420 nan 0.000 0.215 333 P C 1.678 179.005 177.300 0.044 0.000 1.157 333 P CA 2.344 65.469 63.100 0.042 0.000 0.874 333 P CB 0.033 31.750 31.700 0.029 0.000 0.790 334 S N -1.016 114.706 115.700 0.036 0.000 2.447 334 S HA -0.055 4.415 4.470 0.001 0.000 0.233 334 S C 1.946 176.623 174.600 0.129 0.000 1.006 334 S CA 0.786 59.020 58.200 0.056 0.000 0.957 334 S CB -1.460 61.757 63.200 0.028 0.000 0.773 334 S HN 0.085 nan 8.310 nan 0.000 0.507 335 L N 0.284 121.567 121.223 0.100 0.000 2.240 335 L HA 0.120 4.460 4.340 0.001 0.000 0.211 335 L C 2.695 179.684 176.870 0.199 0.000 1.106 335 L CA 0.826 55.767 54.840 0.169 0.000 0.793 335 L CB -0.405 41.681 42.059 0.044 0.000 0.927 335 L HN 0.255 nan 8.230 nan 0.000 0.446 336 K N 1.378 121.855 120.400 0.128 0.000 2.074 336 K HA -0.242 4.078 4.320 0.001 0.000 0.209 336 K C 2.133 178.792 176.600 0.098 0.000 1.048 336 K CA 2.226 58.582 56.287 0.114 0.000 0.926 336 K CB -0.362 32.186 32.500 0.079 0.000 0.713 336 K HN 0.350 nan 8.250 nan 0.000 0.444 337 E N -0.762 119.461 120.200 0.038 0.000 2.110 337 E HA -0.173 4.178 4.350 0.001 0.000 0.193 337 E C 2.014 178.540 176.600 -0.123 0.000 0.988 337 E CA 1.640 57.988 56.400 -0.086 0.000 0.804 337 E CB -1.142 28.430 29.700 -0.213 0.000 0.745 337 E HN 0.642 nan 8.360 nan 0.000 0.458 338 W N -0.281 121.056 121.300 0.061 0.000 2.418 338 W HA 0.158 4.818 4.660 0.000 0.000 0.292 338 W C 2.266 178.834 176.519 0.082 0.000 1.213 338 W CA 0.656 58.047 57.345 0.077 0.000 1.283 338 W CB -0.058 29.459 29.460 0.095 0.000 1.119 338 W HN 0.193 nan 8.180 nan 0.000 0.542 339 I N 0.304 121.042 120.570 0.280 0.000 2.208 339 I HA -0.325 3.845 4.170 0.001 0.000 0.245 339 I C 1.840 178.075 176.117 0.197 0.000 1.097 339 I CA 1.441 62.850 61.300 0.181 0.000 1.363 339 I CB -0.473 37.633 38.000 0.177 0.000 1.051 339 I HN -0.104 nan 8.210 nan 0.000 0.413 340 D N 0.233 120.764 120.400 0.218 0.000 2.178 340 D HA -0.115 4.525 4.640 0.001 0.000 0.202 340 D C 2.368 178.787 176.300 0.198 0.000 0.974 340 D CA 1.005 55.146 54.000 0.235 0.000 0.841 340 D CB -0.258 40.611 40.800 0.114 0.000 0.953 340 D HN 0.154 nan 8.370 nan 0.000 0.478 341 V N 1.190 121.189 119.914 0.142 0.000 2.295 341 V HA -0.212 3.909 4.120 0.001 0.000 0.246 341 V C 2.501 178.790 176.094 0.325 0.000 1.049 341 V CA 1.121 63.534 62.300 0.187 0.000 1.024 341 V CB -0.335 31.533 31.823 0.076 0.000 0.648 341 V HN 0.176 nan 8.190 nan 0.000 0.447 342 I N -0.959 119.753 120.570 0.236 0.000 2.226 342 I HA -0.238 3.932 4.170 0.001 0.000 0.245 342 I C 2.547 178.752 176.117 0.147 0.000 1.100 342 I CA 1.339 62.740 61.300 0.170 0.000 1.374 342 I CB -0.646 37.395 38.000 0.068 0.000 1.057 342 I HN 0.369 nan 8.210 nan 0.000 0.413 343 H N 1.368 120.531 119.070 0.155 0.000 2.390 343 H HA -0.186 4.370 4.556 0.000 0.000 0.298 343 H C 2.371 177.755 175.328 0.093 0.000 1.106 343 H CA 2.064 58.175 56.048 0.105 0.000 1.297 343 H CB -0.187 29.621 29.762 0.078 0.000 1.375 343 H HN 0.374 nan 8.280 nan 0.000 0.509 344 K N 1.049 121.593 120.400 0.240 0.000 2.432 344 K HA -0.026 4.294 4.320 0.001 0.000 0.196 344 K C 0.389 176.947 176.600 -0.070 0.000 1.038 344 K CA 0.711 57.038 56.287 0.068 0.000 0.986 344 K CB -0.384 32.118 32.500 0.005 0.000 0.782 344 K HN 0.430 nan 8.250 nan 0.000 0.485 345 H N -0.937 118.190 119.070 0.094 0.000 2.595 345 H HA 0.446 5.002 4.556 0.001 0.000 0.346 345 H C -1.145 174.214 175.328 0.052 0.000 1.181 345 H CA -1.006 55.096 56.048 0.091 0.000 1.242 345 H CB 1.650 31.491 29.762 0.131 0.000 1.652 345 H HN 0.220 nan 8.280 nan 0.000 0.548 346 D N 1.631 122.145 120.400 0.189 0.000 2.396 346 D HA 0.108 4.748 4.640 0.001 0.000 0.225 346 D C -0.474 175.860 176.300 0.056 0.000 1.121 346 D CA -0.259 53.808 54.000 0.113 0.000 0.853 346 D CB 0.584 41.459 40.800 0.124 0.000 1.043 346 D HN 0.294 nan 8.370 nan 0.000 0.500 347 L N 3.090 124.252 121.223 -0.101 0.000 2.872 347 L HA 0.095 4.435 4.340 0.001 0.000 0.245 347 L C 2.096 178.959 176.870 -0.012 0.000 1.211 347 L CA 0.050 54.674 54.840 -0.361 0.000 1.013 347 L CB -0.140 41.593 42.059 -0.543 0.000 1.326 347 L HN 0.374 nan 8.230 nan 0.000 0.525 348 S N -1.732 114.011 115.700 0.071 0.000 2.447 348 S HA -0.092 4.379 4.470 0.001 0.000 0.233 348 S C 1.575 176.235 174.600 0.100 0.000 1.006 348 S CA 0.698 58.948 58.200 0.083 0.000 0.957 348 S CB -0.095 63.152 63.200 0.078 0.000 0.773 348 S HN 0.393 nan 8.310 nan 0.000 0.507 349 E N 1.699 121.993 120.200 0.156 0.000 2.427 349 E HA 0.059 4.409 4.350 0.001 0.000 0.196 349 E C 0.046 176.730 176.600 0.139 0.000 1.028 349 E CA 0.268 56.751 56.400 0.139 0.000 0.864 349 E CB -0.442 29.345 29.700 0.145 0.000 0.813 349 E HN 0.521 nan 8.360 nan 0.000 0.514 350 T N 3.315 117.971 114.554 0.169 0.000 2.871 350 T HA -0.015 4.335 4.350 0.001 0.000 0.296 350 T C 0.903 175.601 174.700 -0.003 0.000 0.998 350 T CA 0.096 62.255 62.100 0.098 0.000 1.162 350 T CB 0.071 68.916 68.868 -0.039 0.000 0.947 350 T HN 0.204 nan 8.240 nan 0.000 0.536 351 N N 1.259 119.976 118.700 0.028 0.000 2.234 351 N HA 0.166 4.906 4.740 0.001 0.000 0.227 351 N C -0.128 175.353 175.510 -0.047 0.000 1.151 351 N CA -0.494 52.555 53.050 -0.001 0.000 0.865 351 N CB 0.025 38.567 38.487 0.091 0.000 1.066 351 N HN 0.470 nan 8.380 nan 0.000 0.515 352 V N -3.195 116.593 119.914 -0.210 0.000 3.019 352 V HA 0.659 4.779 4.120 0.001 0.000 0.317 352 V C -0.952 174.948 176.094 -0.323 0.000 1.094 352 V CA -1.232 60.878 62.300 -0.317 0.000 1.000 352 V CB 1.050 32.429 31.823 -0.739 0.000 1.060 352 V HN -0.026 nan 8.190 nan 0.000 0.443 353 Y N 1.814 122.019 120.300 -0.158 0.000 2.342 353 Y HA 0.660 5.210 4.550 0.000 0.000 0.334 353 Y C 0.023 175.889 175.900 -0.057 0.000 1.067 353 Y CA -0.550 57.512 58.100 -0.063 0.000 1.128 353 Y CB 1.767 40.164 38.460 -0.105 0.000 1.200 353 Y HN 0.709 nan 8.280 nan 0.000 0.464 354 L N 5.071 126.376 121.223 0.136 0.000 2.331 354 L HA 0.434 4.774 4.340 0.001 0.000 0.278 354 L C -0.840 176.021 176.870 -0.015 0.000 1.106 354 L CA 0.128 54.963 54.840 -0.009 0.000 0.824 354 L CB 0.048 41.950 42.059 -0.262 0.000 1.142 354 L HN 0.499 nan 8.230 nan 0.000 0.443 355 I N 5.569 126.118 120.570 -0.035 0.000 2.420 355 I HA 0.429 4.600 4.170 0.001 0.000 0.282 355 I C 0.349 176.451 176.117 -0.026 0.000 1.019 355 I CA -0.396 60.903 61.300 -0.002 0.000 1.130 355 I CB 1.340 39.354 38.000 0.023 0.000 1.262 355 I HN 0.737 nan 8.210 nan 0.000 0.454 356 G N 3.498 112.346 108.800 0.081 0.000 2.454 356 G HA2 0.685 4.645 3.960 0.001 0.000 0.329 356 G HA3 0.685 4.645 3.960 0.001 0.000 0.329 356 G C -1.043 173.991 174.900 0.223 0.000 1.177 356 G CA -0.360 44.793 45.100 0.090 0.000 0.951 356 G HN 0.462 nan 8.290 nan 0.000 0.485 357 S N -0.968 114.751 115.700 0.032 0.000 2.536 357 S HA 0.816 5.286 4.470 0.001 0.000 0.298 357 S C -0.512 173.895 174.600 -0.321 0.000 1.083 357 S CA -0.525 57.615 58.200 -0.100 0.000 0.995 357 S CB 2.075 65.186 63.200 -0.148 0.000 1.058 357 S HN 0.754 nan 8.310 nan 0.000 0.488 358 T N 2.669 116.812 114.554 -0.685 0.000 2.923 358 T HA 0.584 4.935 4.350 0.001 0.000 0.311 358 T C -3.083 171.262 174.700 -0.592 0.000 1.183 358 T CA -1.901 59.651 62.100 -0.913 0.000 1.020 358 T CB 1.388 69.488 68.868 -1.280 0.000 1.165 358 T HN 0.188 nan 8.240 nan 0.000 0.482 359 P HA 0.562 nan 4.420 nan 0.000 0.271 359 P C -0.089 177.092 177.300 -0.198 0.000 1.216 359 P CA 0.467 63.357 63.100 -0.350 0.000 0.776 359 P CB 0.795 32.253 31.700 -0.404 0.000 0.881 360 G N 1.807 110.482 108.800 -0.208 0.000 2.341 360 G HA2 0.283 4.243 3.960 0.001 0.000 0.293 360 G HA3 0.283 4.243 3.960 0.001 0.000 0.293 360 G C -1.781 172.682 174.900 -0.727 0.000 1.298 360 G CA -0.907 43.837 45.100 -0.594 0.000 0.868 360 G HN 0.395 nan 8.290 nan 0.000 0.540 361 R N -0.266 119.694 120.500 -0.900 0.000 2.409 361 R HA 0.545 4.885 4.340 0.001 0.000 0.313 361 R C -1.391 174.498 176.300 -0.685 0.000 0.953 361 R CA -0.432 55.336 56.100 -0.554 0.000 0.849 361 R CB 1.300 31.435 30.300 -0.275 0.000 1.171 361 R HN 0.281 nan 8.270 nan 0.000 0.458 362 F N 1.354 121.291 119.950 -0.020 0.000 2.458 362 F HA 0.495 5.023 4.527 0.001 0.000 0.336 362 F C 0.857 176.614 175.800 -0.071 0.000 1.114 362 F CA -0.437 57.555 58.000 -0.013 0.000 0.987 362 F CB 1.752 40.781 39.000 0.048 0.000 1.130 362 F HN 0.421 nan 8.300 nan 0.000 0.458 363 Q N 1.366 121.221 119.800 0.092 0.000 2.445 363 Q HA 0.802 5.142 4.340 0.001 0.000 0.281 363 Q C 0.668 176.678 176.000 0.016 0.000 1.101 363 Q CA -0.794 55.019 55.803 0.017 0.000 0.833 363 Q CB 1.061 29.796 28.738 -0.004 0.000 1.416 363 Q HN 1.422 nan 8.270 nan 0.000 0.451 364 G N 0.361 109.157 108.800 -0.007 0.000 2.646 364 G HA2 -0.333 3.628 3.960 0.001 0.000 0.324 364 G HA3 -0.333 3.628 3.960 0.001 0.000 0.324 364 G C 1.595 176.489 174.900 -0.010 0.000 1.195 364 G CA 2.555 47.653 45.100 -0.004 0.000 0.976 364 G HN 2.172 nan 8.290 nan 0.000 0.546 365 S N -0.502 115.194 115.700 -0.007 0.000 2.456 365 S HA 0.136 4.606 4.470 0.001 0.000 0.224 365 S C 1.998 176.572 174.600 -0.043 0.000 1.035 365 S CA 1.317 59.504 58.200 -0.022 0.000 0.940 365 S CB 0.046 63.233 63.200 -0.022 0.000 0.799 365 S HN 0.700 nan 8.310 nan 0.000 0.508 366 Q N 1.180 120.973 119.800 -0.012 0.000 2.443 366 Q HA 0.026 4.367 4.340 0.001 0.000 0.213 366 Q C 1.739 177.703 176.000 -0.061 0.000 0.982 366 Q CA 0.777 56.572 55.803 -0.013 0.000 0.894 366 Q CB -0.218 28.614 28.738 0.156 0.000 0.947 366 Q HN 0.577 nan 8.270 nan 0.000 0.480 367 K N 0.375 120.739 120.400 -0.059 0.000 2.209 367 K HA -0.138 4.183 4.320 0.001 0.000 0.204 367 K C 0.902 177.397 176.600 -0.175 0.000 1.048 367 K CA 1.045 57.231 56.287 -0.168 0.000 0.940 367 K CB 0.181 32.475 32.500 -0.344 0.000 0.729 367 K HN 0.172 nan 8.250 nan 0.000 0.451 368 D N 0.284 120.614 120.400 -0.117 0.000 2.355 368 D HA -0.040 4.600 4.640 0.001 0.000 0.218 368 D C 1.139 177.285 176.300 -0.256 0.000 1.004 368 D CA 0.446 54.398 54.000 -0.080 0.000 0.880 368 D CB -0.011 40.758 40.800 -0.051 0.000 0.911 368 D HN 0.098 nan 8.370 nan 0.000 0.528 369 N N -0.315 118.083 118.700 -0.504 0.000 2.331 369 N HA -0.052 4.688 4.740 0.001 0.000 0.180 369 N C 0.079 174.914 175.510 -1.125 0.000 1.019 369 N CA 0.618 53.069 53.050 -0.998 0.000 0.881 369 N CB 0.286 37.875 38.487 -1.497 0.000 0.972 369 N HN 0.305 nan 8.380 nan 0.000 0.435 370 W N -0.952 120.192 121.300 -0.259 0.000 3.040 370 W HA 0.582 5.243 4.660 0.001 0.000 0.344 370 W C 0.989 177.451 176.519 -0.095 0.000 1.201 370 W CA -0.763 56.443 57.345 -0.230 0.000 1.119 370 W CB 0.136 29.328 29.460 -0.447 0.000 1.478 370 W HN 0.085 nan 8.180 nan 0.000 0.586 371 G N 0.827 109.784 108.800 0.262 0.000 2.581 371 G HA2 -0.465 3.495 3.960 0.001 0.000 0.291 371 G HA3 -0.465 3.495 3.960 0.001 0.000 0.291 371 G C 0.506 175.689 174.900 0.473 0.000 1.277 371 G CA 1.312 46.605 45.100 0.323 0.000 0.959 371 G HN 1.278 nan 8.290 nan 0.000 0.554 372 H N -1.423 118.014 119.070 0.612 0.000 2.495 372 H HA 0.322 4.878 4.556 0.000 0.000 0.287 372 H C 2.218 177.604 175.328 0.096 0.000 1.033 372 H CA 1.737 57.970 56.048 0.307 0.000 1.307 372 H CB -0.217 29.607 29.762 0.103 0.000 1.401 372 H HN 0.348 nan 8.280 nan 0.000 0.555 373 F N 0.933 120.742 119.950 -0.235 0.000 2.259 373 F HA 0.064 4.591 4.527 0.000 0.000 0.298 373 F C 2.665 178.388 175.800 -0.129 0.000 1.088 373 F CA 0.988 58.883 58.000 -0.175 0.000 1.358 373 F CB -0.099 38.779 39.000 -0.204 0.000 1.040 373 F HN 0.151 nan 8.300 nan 0.000 0.505 374 R N 0.722 121.264 120.500 0.070 0.000 2.073 374 R HA -0.159 4.181 4.340 0.001 0.000 0.234 374 R C 2.059 178.315 176.300 -0.073 0.000 1.134 374 R CA 1.518 57.601 56.100 -0.028 0.000 0.952 374 R CB -1.082 29.205 30.300 -0.023 0.000 0.850 374 R HN 0.284 nan 8.270 nan 0.000 0.433 375 L N 1.090 122.283 121.223 -0.050 0.000 2.017 375 L HA -0.097 4.243 4.340 0.001 0.000 0.208 375 L C 2.213 178.905 176.870 -0.296 0.000 1.073 375 L CA 2.115 56.839 54.840 -0.193 0.000 0.745 375 L CB -0.739 41.200 42.059 -0.200 0.000 0.894 375 L HN 0.297 nan 8.230 nan 0.000 0.432 376 K N -0.447 119.796 120.400 -0.262 0.000 2.044 376 K HA -0.310 4.010 4.320 0.001 0.000 0.210 376 K C 2.305 178.749 176.600 -0.260 0.000 1.049 376 K CA 2.090 58.195 56.287 -0.302 0.000 0.927 376 K CB -0.152 32.132 32.500 -0.360 0.000 0.713 376 K HN 0.198 nan 8.250 nan 0.000 0.443 377 K N 0.891 121.172 120.400 -0.198 0.000 2.057 377 K HA -0.086 4.234 4.320 0.001 0.000 0.207 377 K C 1.944 178.417 176.600 -0.210 0.000 1.049 377 K CA 1.304 57.488 56.287 -0.171 0.000 0.931 377 K CB -0.178 32.254 32.500 -0.113 0.000 0.714 377 K HN 0.183 nan 8.250 nan 0.000 0.440 378 L N 0.151 121.239 121.223 -0.225 0.000 2.093 378 L HA -0.116 4.224 4.340 0.001 0.000 0.208 378 L C 2.247 178.929 176.870 -0.314 0.000 1.085 378 L CA 0.912 55.603 54.840 -0.249 0.000 0.755 378 L CB -0.340 41.508 42.059 -0.353 0.000 0.904 378 L HN 0.176 nan 8.230 nan 0.000 0.435 379 L N -0.062 120.940 121.223 -0.368 0.000 2.109 379 L HA -0.195 4.146 4.340 0.001 0.000 0.207 379 L C 2.690 179.394 176.870 -0.278 0.000 1.086 379 L CA 1.177 55.794 54.840 -0.372 0.000 0.760 379 L CB -0.446 41.344 42.059 -0.449 0.000 0.910 379 L HN 0.297 nan 8.230 nan 0.000 0.437 380 K N 0.116 120.355 120.400 -0.268 0.000 2.057 380 K HA -0.178 4.142 4.320 0.001 0.000 0.206 380 K C 1.409 177.848 176.600 -0.268 0.000 1.050 380 K CA 1.733 57.880 56.287 -0.233 0.000 0.935 380 K CB 0.074 32.449 32.500 -0.208 0.000 0.715 380 K HN 0.170 nan 8.250 nan 0.000 0.439 381 D N -0.291 119.885 120.400 -0.374 0.000 2.213 381 D HA -0.052 4.588 4.640 0.001 0.000 0.205 381 D C 1.036 176.908 176.300 -0.714 0.000 0.961 381 D CA 0.964 54.615 54.000 -0.582 0.000 0.853 381 D CB 0.198 40.495 40.800 -0.839 0.000 0.967 381 D HN 0.394 nan 8.370 nan 0.000 0.496 382 H N -1.231 117.715 119.070 -0.206 0.000 3.078 382 H HA 0.585 5.142 4.556 0.000 0.000 0.263 382 H C 0.212 175.442 175.328 -0.163 0.000 1.177 382 H CA -0.126 55.809 56.048 -0.187 0.000 1.128 382 H CB 0.916 30.502 29.762 -0.294 0.000 1.623 382 H HN -0.009 nan 8.280 nan 0.000 0.592 390 E N 0.270 120.497 120.200 0.046 0.000 2.504 390 E HA -0.114 4.236 4.350 0.001 0.000 0.206 390 E C 1.254 177.922 176.600 0.114 0.000 1.109 390 E CA 1.524 57.925 56.400 0.001 0.000 0.906 390 E CB -1.229 28.389 29.700 -0.137 0.000 0.843 390 E HN 1.972 nan 8.360 nan 0.000 0.584 391 S N -0.765 115.027 115.700 0.153 0.000 3.077 391 S HA 0.049 4.519 4.470 0.001 0.000 0.244 391 S C -0.176 174.515 174.600 0.151 0.000 1.013 391 S CA -0.522 57.744 58.200 0.111 0.000 1.121 391 S CB -1.052 62.183 63.200 0.058 0.000 0.847 391 S HN 0.493 nan 8.310 nan 0.000 0.514 392 W N 2.781 124.005 121.300 -0.127 0.000 2.304 392 W HA 0.420 5.080 4.660 0.001 0.000 0.313 392 W C -2.392 174.011 176.519 -0.193 0.000 1.323 392 W CA -2.268 54.971 57.345 -0.177 0.000 1.223 392 W CB -0.294 29.063 29.460 -0.171 0.000 1.237 392 W HN 0.173 nan 8.180 nan 0.000 0.535 393 P HA 0.156 nan 4.420 nan 0.000 0.274 393 P C -0.719 176.520 177.300 -0.102 0.000 1.256 393 P CA -0.336 62.678 63.100 -0.144 0.000 0.795 393 P CB 0.724 32.331 31.700 -0.156 0.000 1.038 394 V N 1.046 120.885 119.914 -0.125 0.000 2.513 394 V HA 0.335 4.456 4.120 0.001 0.000 0.299 394 V C -0.102 175.991 176.094 -0.001 0.000 1.035 394 V CA -0.564 61.683 62.300 -0.087 0.000 0.889 394 V CB 2.014 33.793 31.823 -0.073 0.000 0.988 394 V HN 0.184 nan 8.190 nan 0.000 0.440 395 V N 3.458 123.397 119.914 0.042 0.000 2.495 395 V HA 0.831 4.952 4.120 0.001 0.000 0.298 395 V C 0.486 176.659 176.094 0.132 0.000 1.031 395 V CA -0.305 62.080 62.300 0.141 0.000 0.871 395 V CB 1.808 33.750 31.823 0.199 0.000 0.988 395 V HN 0.974 nan 8.190 nan 0.000 0.432 396 G N 3.138 112.045 108.800 0.178 0.000 2.513 396 G HA2 0.651 4.611 3.960 0.001 0.000 0.317 396 G HA3 0.651 4.611 3.960 0.001 0.000 0.317 396 G C -1.330 173.584 174.900 0.023 0.000 1.277 396 G CA -0.355 44.846 45.100 0.168 0.000 0.955 396 G HN 0.480 nan 8.290 nan 0.000 0.484 397 Q N 1.316 120.984 119.800 -0.221 0.000 2.263 397 Q HA 0.582 4.922 4.340 0.001 0.000 0.262 397 Q C -1.879 173.959 176.000 -0.269 0.000 0.984 397 Q CA -0.644 54.926 55.803 -0.389 0.000 0.813 397 Q CB 1.983 30.498 28.738 -0.371 0.000 1.299 397 Q HN 0.658 nan 8.270 nan 0.000 0.428 398 F N -0.044 119.821 119.950 -0.142 0.000 2.831 398 F HA 0.577 5.105 4.527 0.000 0.000 0.318 398 F C 0.288 176.071 175.800 -0.028 0.000 1.174 398 F CA -0.434 57.520 58.000 -0.077 0.000 0.918 398 F CB 0.929 39.926 39.000 -0.005 0.000 1.364 398 F HN 0.277 nan 8.300 nan 0.000 0.475 399 S N -1.177 114.645 115.700 0.203 0.000 2.666 399 S HA 0.504 4.974 4.470 0.001 0.000 0.239 399 S C -0.130 174.640 174.600 0.284 0.000 1.031 399 S CA 0.137 58.422 58.200 0.140 0.000 1.015 399 S CB 0.127 63.266 63.200 -0.100 0.000 0.981 399 S HN 0.705 nan 8.310 nan 0.000 0.547 400 S N 0.357 116.201 115.700 0.240 0.000 2.556 400 S HA 0.749 5.219 4.470 0.001 0.000 0.271 400 S C -1.553 172.943 174.600 -0.173 0.000 1.135 400 S CA -0.488 57.729 58.200 0.027 0.000 0.858 400 S CB 1.947 65.102 63.200 -0.074 0.000 1.114 400 S HN 0.275 nan 8.310 nan 0.000 0.468 401 V N 2.373 122.049 119.914 -0.396 0.000 2.577 401 V HA 0.732 4.852 4.120 0.001 0.000 0.303 401 V C 0.836 176.717 176.094 -0.354 0.000 1.042 401 V CA -0.578 61.382 62.300 -0.566 0.000 0.872 401 V CB 1.352 32.581 31.823 -0.989 0.000 0.998 401 V HN 0.947 nan 8.190 nan 0.000 0.423 402 G N 1.583 110.198 108.800 -0.308 0.000 2.525 402 G HA2 0.449 4.409 3.960 0.001 0.000 0.287 402 G HA3 0.449 4.409 3.960 0.001 0.000 0.287 402 G C -0.109 174.686 174.900 -0.175 0.000 1.350 402 G CA -0.380 44.589 45.100 -0.219 0.000 1.039 402 G HN 0.725 nan 8.290 nan 0.000 0.513 403 S N -0.957 114.655 115.700 -0.147 0.000 2.474 403 S HA 0.261 4.732 4.470 0.001 0.000 0.276 403 S C 1.104 175.622 174.600 -0.136 0.000 1.227 403 S CA -0.669 57.475 58.200 -0.093 0.000 1.050 403 S CB 0.142 63.299 63.200 -0.071 0.000 0.939 403 S HN 0.385 nan 8.310 nan 0.000 0.490 404 L N 4.706 125.904 121.223 -0.041 0.000 2.616 404 L HA 0.443 4.783 4.340 0.001 0.000 0.229 404 L C 1.185 178.183 176.870 0.214 0.000 1.110 404 L CA 0.108 54.967 54.840 0.031 0.000 0.884 404 L CB -0.550 41.617 42.059 0.179 0.000 1.115 404 L HN 0.904 nan 8.230 nan 0.000 0.481 405 G N -0.549 108.388 108.800 0.228 0.000 2.423 405 G HA2 0.018 3.978 3.960 0.001 0.000 0.684 405 G HA3 0.018 3.978 3.960 0.001 0.000 0.684 405 G C 0.352 175.457 174.900 0.340 0.000 1.309 405 G CA -0.342 44.887 45.100 0.214 0.000 0.950 405 G HN -0.055 nan 8.290 nan 0.000 0.587 406 A N -0.443 122.466 122.820 0.149 0.000 1.972 406 A HA 0.383 4.703 4.320 0.001 0.000 0.219 406 A C 1.105 178.576 177.584 -0.188 0.000 1.169 406 A CA 2.860 54.958 52.037 0.101 0.000 0.635 406 A CB -0.588 18.423 19.000 0.017 0.000 0.810 406 A HN 2.039 nan 8.150 nan 0.000 0.446 407 D N -4.057 116.023 120.400 -0.533 0.000 2.615 407 D HA 0.281 4.921 4.640 0.001 0.000 0.267 407 D C 0.421 175.913 176.300 -1.346 0.000 1.236 407 D CA -0.061 53.168 54.000 -1.284 0.000 0.839 407 D CB 0.120 40.536 40.800 -0.640 0.000 1.380 407 D HN 0.191 nan 8.370 nan 0.000 0.433 408 E N -0.181 119.082 120.200 -1.563 0.000 2.267 408 E HA -0.247 4.103 4.350 0.001 0.000 0.197 408 E C 1.210 177.630 176.600 -0.299 0.000 0.998 408 E CA 1.546 57.465 56.400 -0.802 0.000 0.830 408 E CB -0.248 29.284 29.700 -0.280 0.000 0.751 408 E HN 0.374 nan 8.360 nan 0.000 0.491 409 S N 0.432 115.968 115.700 -0.274 0.000 2.489 409 S HA -0.011 4.459 4.470 0.001 0.000 0.228 409 S C 1.777 176.333 174.600 -0.073 0.000 0.995 409 S CA 0.474 58.592 58.200 -0.137 0.000 0.934 409 S CB 0.010 63.137 63.200 -0.121 0.000 0.771 409 S HN 0.184 nan 8.310 nan 0.000 0.522 410 K N -0.961 119.399 120.400 -0.068 0.000 2.148 410 K HA 0.018 4.338 4.320 0.001 0.000 0.204 410 K C 1.361 178.082 176.600 0.201 0.000 1.050 410 K CA 1.496 57.812 56.287 0.047 0.000 0.942 410 K CB -0.052 32.474 32.500 0.045 0.000 0.724 410 K HN 0.705 nan 8.250 nan 0.000 0.446 411 W N -1.905 119.379 121.300 -0.027 0.000 4.522 411 W HA 0.041 4.701 4.660 0.001 0.000 0.156 411 W C 0.986 177.503 176.519 -0.003 0.000 0.933 411 W CA -0.376 56.970 57.345 0.002 0.000 1.627 411 W CB -0.318 29.154 29.460 0.019 0.000 0.520 411 W HN -0.170 nan 8.180 nan 0.000 1.025 412 L N 1.698 123.049 121.223 0.214 0.000 1.944 412 L HA -0.173 4.168 4.340 0.001 0.000 0.218 412 L C 1.960 178.738 176.870 -0.154 0.000 1.075 412 L CA 3.093 57.947 54.840 0.022 0.000 0.767 412 L CB -1.197 40.994 42.059 0.220 0.000 0.890 412 L HN 0.279 nan 8.230 nan 0.000 0.434 413 C N -0.872 118.373 119.300 -0.092 0.000 2.468 413 C HA 0.008 4.468 4.460 0.001 0.000 0.277 413 C C 3.002 177.898 174.990 -0.156 0.000 1.400 413 C CA 0.621 59.579 59.018 -0.101 0.000 1.770 413 C CB -1.218 26.505 27.740 -0.027 0.000 1.905 413 C HN 0.820 nan 8.230 nan 0.000 0.519 414 S N 2.414 118.013 115.700 -0.167 0.000 2.317 414 S HA -0.141 4.329 4.470 0.001 0.000 0.212 414 S C 1.738 176.188 174.600 -0.249 0.000 1.030 414 S CA 1.410 59.514 58.200 -0.160 0.000 0.970 414 S CB -0.665 62.483 63.200 -0.087 0.000 0.928 414 S HN 0.819 nan 8.310 nan 0.000 0.451 415 E N -0.450 119.523 120.200 -0.378 0.000 2.127 415 E HA 0.047 4.397 4.350 0.001 0.000 0.191 415 E C 2.007 178.111 176.600 -0.827 0.000 0.964 415 E CA 0.194 56.312 56.400 -0.470 0.000 0.832 415 E CB -0.617 28.956 29.700 -0.211 0.000 0.790 415 E HN 0.461 nan 8.360 nan 0.000 0.465 416 F N 2.690 121.829 119.950 -1.352 0.000 2.051 416 F HA -0.058 4.469 4.527 0.001 0.000 0.296 416 F C 2.389 177.712 175.800 -0.796 0.000 1.122 416 F CA 1.991 59.167 58.000 -1.373 0.000 1.201 416 F CB -0.158 37.821 39.000 -1.702 0.000 0.978 416 F HN -0.106 nan 8.300 nan 0.000 0.472 417 K N -0.000 120.051 120.400 -0.582 0.000 2.057 417 K HA -0.194 4.126 4.320 0.001 0.000 0.207 417 K C 2.086 178.436 176.600 -0.418 0.000 1.049 417 K CA 1.600 57.615 56.287 -0.454 0.000 0.931 417 K CB -0.179 32.184 32.500 -0.228 0.000 0.714 417 K HN 0.154 nan 8.250 nan 0.000 0.440 418 E N 0.516 120.484 120.200 -0.386 0.000 2.058 418 E HA -0.161 4.190 4.350 0.001 0.000 0.194 418 E C 2.146 178.529 176.600 -0.361 0.000 0.997 418 E CA 1.223 57.433 56.400 -0.317 0.000 0.801 418 E CB -0.314 29.221 29.700 -0.276 0.000 0.746 418 E HN 0.239 nan 8.360 nan 0.000 0.450 419 S N 0.501 115.919 115.700 -0.470 0.000 2.359 419 S HA -0.102 4.369 4.470 0.001 0.000 0.224 419 S C 1.968 176.311 174.600 -0.428 0.000 1.035 419 S CA 1.162 59.093 58.200 -0.448 0.000 1.018 419 S CB -0.153 62.796 63.200 -0.418 0.000 0.876 419 S HN 0.273 nan 8.310 nan 0.000 0.448 420 M N 0.892 120.181 119.600 -0.519 0.000 2.374 420 M HA -0.044 4.436 4.480 0.001 0.000 0.264 420 M C 1.690 177.948 176.300 -0.071 0.000 1.067 420 M CA 0.936 56.043 55.300 -0.321 0.000 1.103 420 M CB -0.611 31.730 32.600 -0.431 0.000 1.402 420 M HN 0.342 nan 8.290 nan 0.000 0.444 421 L N -2.537 118.592 121.223 -0.156 0.000 2.509 421 L HA 0.229 4.569 4.340 0.001 0.000 0.222 421 L C 0.768 177.584 176.870 -0.090 0.000 1.123 421 L CA 0.257 55.046 54.840 -0.085 0.000 0.856 421 L CB -1.509 40.481 42.059 -0.115 0.000 0.985 421 L HN -0.180 nan 8.230 nan 0.000 0.456 422 T N 2.861 117.327 114.554 -0.147 0.000 2.933 422 T HA 0.363 4.713 4.350 0.001 0.000 0.306 422 T C -0.144 174.476 174.700 -0.133 0.000 1.045 422 T CA 0.703 62.703 62.100 -0.166 0.000 1.143 422 T CB 0.193 68.924 68.868 -0.228 0.000 1.003 422 T HN 0.194 nan 8.240 nan 0.000 0.540 423 L N 2.761 123.899 121.223 -0.142 0.000 2.580 423 L HA 0.538 4.878 4.340 0.001 0.000 0.266 423 L C 0.643 177.420 176.870 -0.154 0.000 0.955 423 L CA -0.683 54.072 54.840 -0.142 0.000 0.886 423 L CB 1.531 43.500 42.059 -0.150 0.000 1.263 423 L HN 1.005 nan 8.230 nan 0.000 0.406 435 V N 3.675 123.569 119.914 -0.034 0.000 2.585 435 V HA 0.351 4.471 4.120 0.001 0.000 0.296 435 V C -2.175 173.871 176.094 -0.079 0.000 1.035 435 V CA -0.973 61.296 62.300 -0.051 0.000 1.084 435 V CB 0.309 32.097 31.823 -0.058 0.000 0.953 435 V HN 0.316 nan 8.190 nan 0.000 0.483 436 P HA 0.233 nan 4.420 nan 0.000 0.271 436 P C -0.828 176.224 177.300 -0.414 0.000 1.220 436 P CA -0.305 62.617 63.100 -0.296 0.000 0.768 436 P CB 0.588 32.023 31.700 -0.440 0.000 0.848 437 L N 5.609 126.686 121.223 -0.243 0.000 2.298 437 L HA 0.423 4.763 4.340 0.001 0.000 0.284 437 L C -1.497 175.410 176.870 0.061 0.000 1.013 437 L CA -0.665 54.140 54.840 -0.058 0.000 0.824 437 L CB 0.108 42.285 42.059 0.197 0.000 1.221 437 L HN 0.294 nan 8.230 nan 0.000 0.418 438 Y N 5.736 126.153 120.300 0.195 0.000 2.335 438 Y HA 0.589 5.140 4.550 0.000 0.000 0.338 438 Y C -0.392 175.587 175.900 0.131 0.000 0.977 438 Y CA -1.064 57.077 58.100 0.069 0.000 1.114 438 Y CB 1.503 39.811 38.460 -0.253 0.000 1.182 438 Y HN 0.372 nan 8.280 nan 0.000 0.463 439 L N 5.495 126.988 121.223 0.449 0.000 2.313 439 L HA 0.554 4.895 4.340 0.001 0.000 0.283 439 L C -0.692 176.210 176.870 0.053 0.000 1.013 439 L CA -0.721 54.316 54.840 0.329 0.000 0.816 439 L CB 1.774 44.154 42.059 0.535 0.000 1.236 439 L HN 0.595 nan 8.230 nan 0.000 0.419 440 I N 3.669 124.095 120.570 -0.240 0.000 2.330 440 I HA 0.370 4.540 4.170 0.001 0.000 0.289 440 I C -1.134 174.598 176.117 -0.642 0.000 1.001 440 I CA -0.544 60.560 61.300 -0.327 0.000 1.193 440 I CB 1.221 39.027 38.000 -0.325 0.000 1.345 440 I HN 0.489 nan 8.210 nan 0.000 0.461 441 Y N 8.418 128.330 120.300 -0.646 0.000 2.442 441 Y HA 0.421 4.972 4.550 0.000 0.000 0.330 441 Y C -2.798 173.015 175.900 -0.145 0.000 1.100 441 Y CA -2.115 55.590 58.100 -0.658 0.000 1.034 441 Y CB 2.394 40.222 38.460 -1.054 0.000 1.285 441 Y HN 0.359 nan 8.280 nan 0.000 0.440 442 P HA 0.084 nan 4.420 nan 0.000 0.265 442 P C -0.719 176.485 177.300 -0.159 0.000 1.193 442 P CA 0.262 63.147 63.100 -0.359 0.000 0.765 442 P CB 0.827 32.204 31.700 -0.538 0.000 0.823 443 S N 1.445 117.098 115.700 -0.079 0.000 2.655 443 S HA 0.172 4.642 4.470 0.001 0.000 0.265 443 S C 1.348 175.911 174.600 -0.062 0.000 1.240 443 S CA -0.645 57.449 58.200 -0.177 0.000 0.986 443 S CB 0.160 63.033 63.200 -0.544 0.000 0.985 443 S HN 0.158 nan 8.310 nan 0.000 0.562 444 V N 1.315 121.226 119.914 -0.005 0.000 2.287 444 V HA -0.148 3.972 4.120 0.001 0.000 0.248 444 V C 2.828 178.885 176.094 -0.063 0.000 1.053 444 V CA 2.132 64.456 62.300 0.039 0.000 1.027 444 V CB -1.055 30.754 31.823 -0.023 0.000 0.646 444 V HN 0.833 nan 8.190 nan 0.000 0.447 445 E N 0.360 120.501 120.200 -0.098 0.000 2.085 445 E HA -0.212 4.138 4.350 0.001 0.000 0.194 445 E C 2.052 178.559 176.600 -0.154 0.000 0.994 445 E CA 1.547 57.877 56.400 -0.116 0.000 0.801 445 E CB -0.586 29.052 29.700 -0.104 0.000 0.743 445 E HN 0.752 nan 8.360 nan 0.000 0.453 446 N N 0.011 118.620 118.700 -0.153 0.000 2.069 446 N HA -0.147 4.593 4.740 0.001 0.000 0.191 446 N C 1.983 177.352 175.510 -0.234 0.000 1.031 446 N CA 1.392 54.354 53.050 -0.146 0.000 0.852 446 N CB 0.009 38.432 38.487 -0.107 0.000 1.018 446 N HN -0.052 nan 8.380 nan 0.000 0.423 447 V N 1.252 120.975 119.914 -0.318 0.000 2.307 447 V HA -0.204 3.916 4.120 0.001 0.000 0.245 447 V C 2.358 178.162 176.094 -0.482 0.000 1.045 447 V CA 1.450 63.452 62.300 -0.497 0.000 1.024 447 V CB -0.586 30.739 31.823 -0.830 0.000 0.651 447 V HN 0.297 nan 8.190 nan 0.000 0.449 448 R N 0.753 120.990 120.500 -0.440 0.000 2.103 448 R HA -0.208 4.133 4.340 0.001 0.000 0.242 448 R C 2.043 178.054 176.300 -0.481 0.000 1.142 448 R CA 2.220 57.936 56.100 -0.640 0.000 0.960 448 R CB -0.405 29.644 30.300 -0.419 0.000 0.858 448 R HN 0.682 nan 8.270 nan 0.000 0.439 449 T N -1.523 112.841 114.554 -0.316 0.000 3.163 449 T HA 0.117 4.467 4.350 0.001 0.000 0.252 449 T C 0.749 175.316 174.700 -0.222 0.000 1.056 449 T CA 0.036 61.988 62.100 -0.245 0.000 0.947 449 T CB 0.051 68.814 68.868 -0.174 0.000 1.016 449 T HN 0.278 nan 8.240 nan 0.000 0.554 450 S N 0.939 116.491 115.700 -0.247 0.000 2.606 450 S HA 0.326 4.796 4.470 0.001 0.000 0.257 450 S C 1.341 175.838 174.600 -0.171 0.000 1.327 450 S CA -0.803 57.278 58.200 -0.198 0.000 0.984 450 S CB 0.252 63.311 63.200 -0.235 0.000 0.941 450 S HN 0.277 nan 8.310 nan 0.000 0.576 451 L N 0.284 121.436 121.223 -0.118 0.000 2.191 451 L HA -0.070 4.270 4.340 0.001 0.000 0.212 451 L C 2.621 179.524 176.870 0.056 0.000 1.103 451 L CA 1.496 56.298 54.840 -0.063 0.000 0.769 451 L CB -0.582 41.444 42.059 -0.055 0.000 0.908 451 L HN 0.773 nan 8.230 nan 0.000 0.438 452 E N -0.685 119.527 120.200 0.021 0.000 2.340 452 E HA 0.162 4.513 4.350 0.001 0.000 0.194 452 E C 1.171 177.859 176.600 0.147 0.000 0.996 452 E CA 0.382 56.853 56.400 0.119 0.000 0.869 452 E CB 0.339 30.041 29.700 0.004 0.000 0.835 452 E HN 0.444 nan 8.360 nan 0.000 0.493 453 G N 0.715 109.478 108.800 -0.061 0.000 2.593 453 G HA2 -0.352 3.608 3.960 0.001 0.000 0.237 453 G HA3 -0.352 3.608 3.960 0.001 0.000 0.237 453 G C 0.270 175.017 174.900 -0.254 0.000 1.312 453 G CA 0.086 45.080 45.100 -0.176 0.000 0.896 453 G HN 0.148 nan 8.290 nan 0.000 0.574 454 Y N 1.401 121.602 120.300 -0.165 0.000 2.193 454 Y HA -0.049 4.501 4.550 0.000 0.000 0.285 454 Y C 0.827 176.334 175.900 -0.655 0.000 1.166 454 Y CA 2.517 60.359 58.100 -0.430 0.000 1.181 454 Y CB -1.692 36.743 38.460 -0.042 0.000 0.976 454 Y HN 0.360 nan 8.280 nan 0.000 0.520 455 P HA -0.192 nan 4.420 nan 0.000 0.220 455 P C 1.384 178.611 177.300 -0.120 0.000 1.144 455 P CA 1.983 65.123 63.100 0.066 0.000 0.800 455 P CB -0.167 31.669 31.700 0.226 0.000 0.772 456 A N -0.047 122.618 122.820 -0.259 0.000 1.978 456 A HA -0.121 4.199 4.320 0.001 0.000 0.220 456 A C 2.408 179.744 177.584 -0.413 0.000 1.170 456 A CA 1.956 53.810 52.037 -0.305 0.000 0.636 456 A CB -1.816 16.952 19.000 -0.387 0.000 0.810 456 A HN 0.308 nan 8.150 nan 0.000 0.448 457 G N -0.849 107.514 108.800 -0.728 0.000 2.559 457 G HA2 0.112 4.073 3.960 0.001 0.000 0.216 457 G HA3 0.112 4.073 3.960 0.001 0.000 0.216 457 G C 1.313 176.330 174.900 0.194 0.000 1.126 457 G CA 0.992 45.613 45.100 -0.798 0.000 0.778 457 G HN 0.692 nan 8.290 nan 0.000 0.543 458 G N 0.207 109.144 108.800 0.229 0.000 2.509 458 G HA2 -0.011 3.950 3.960 0.001 0.000 0.218 458 G HA3 -0.011 3.950 3.960 0.001 0.000 0.218 458 G C 1.482 176.623 174.900 0.401 0.000 1.124 458 G CA 1.017 46.454 45.100 0.562 0.000 0.776 458 G HN 0.392 nan 8.290 nan 0.000 0.547 459 S N -0.272 115.541 115.700 0.188 0.000 2.575 459 S HA 0.379 4.849 4.470 0.001 0.000 0.237 459 S C 0.206 174.883 174.600 0.128 0.000 0.975 459 S CA -0.292 57.999 58.200 0.152 0.000 0.960 459 S CB 0.186 63.433 63.200 0.078 0.000 0.822 459 S HN 0.199 nan 8.310 nan 0.000 0.472 460 L N 2.430 123.738 121.223 0.142 0.000 2.529 460 L HA 0.338 4.679 4.340 0.001 0.000 0.246 460 L C -2.681 174.341 176.870 0.254 0.000 1.394 460 L CA -1.635 53.330 54.840 0.210 0.000 0.906 460 L CB 1.253 43.390 42.059 0.130 0.000 1.170 460 L HN -0.151 nan 8.230 nan 0.000 0.501 461 P HA -0.038 nan 4.420 nan 0.000 0.228 461 P C -0.687 176.265 177.300 -0.579 0.000 1.748 461 P CA -0.043 62.459 63.100 -0.997 0.000 0.909 461 P CB -0.441 30.602 31.700 -1.094 0.000 1.882 462 Y N 2.243 122.412 120.300 -0.218 0.000 2.404 462 Y HA 0.305 4.856 4.550 0.001 0.000 0.344 462 Y C 0.567 176.539 175.900 0.120 0.000 0.995 462 Y CA -1.647 56.436 58.100 -0.028 0.000 1.201 462 Y CB 0.413 38.935 38.460 0.103 0.000 1.151 462 Y HN 0.057 nan 8.280 nan 0.000 0.517 463 S N 5.248 121.107 115.700 0.264 0.000 2.585 463 S HA 0.206 4.676 4.470 0.001 0.000 0.277 463 S C 1.087 175.680 174.600 -0.012 0.000 1.241 463 S CA -0.774 57.610 58.200 0.307 0.000 1.041 463 S CB 1.119 64.541 63.200 0.370 0.000 0.987 463 S HN 0.712 nan 8.310 nan 0.000 0.512 464 I N 2.506 123.070 120.570 -0.009 0.000 2.264 464 I HA -0.144 4.026 4.170 0.001 0.000 0.248 464 I C 2.279 178.352 176.117 -0.073 0.000 1.111 464 I CA 1.784 63.024 61.300 -0.100 0.000 1.382 464 I CB -0.825 37.124 38.000 -0.085 0.000 1.060 464 I HN 0.856 nan 8.210 nan 0.000 0.418 465 Q N -0.410 119.379 119.800 -0.019 0.000 2.096 465 Q HA -0.169 4.171 4.340 0.001 0.000 0.204 465 Q C 2.176 178.167 176.000 -0.014 0.000 0.982 465 Q CA 2.607 58.403 55.803 -0.012 0.000 0.850 465 Q CB -0.704 28.038 28.738 0.007 0.000 0.901 465 Q HN 0.487 nan 8.270 nan 0.000 0.422 466 T N 0.219 114.773 114.554 -0.001 0.000 2.770 466 T HA -0.040 4.310 4.350 0.001 0.000 0.263 466 T C 1.892 176.598 174.700 0.010 0.000 1.039 466 T CA 1.078 63.197 62.100 0.032 0.000 1.142 466 T CB -0.420 68.526 68.868 0.130 0.000 0.868 466 T HN 0.398 nan 8.240 nan 0.000 0.435 467 A N 2.357 125.088 122.820 -0.149 0.000 1.902 467 A HA -0.173 4.147 4.320 0.001 0.000 0.217 467 A C 2.218 179.774 177.584 -0.048 0.000 1.181 467 A CA 1.910 53.847 52.037 -0.168 0.000 0.623 467 A CB -0.675 17.974 19.000 -0.585 0.000 0.818 467 A HN 0.768 nan 8.150 nan 0.000 0.443 468 E N 0.289 120.455 120.200 -0.057 0.000 2.209 468 E HA -0.224 4.126 4.350 0.001 0.000 0.196 468 E C 1.357 177.948 176.600 -0.015 0.000 0.993 468 E CA 1.381 57.766 56.400 -0.026 0.000 0.819 468 E CB -0.314 29.371 29.700 -0.026 0.000 0.745 468 E HN 0.605 nan 8.360 nan 0.000 0.477 469 K N 0.570 120.963 120.400 -0.011 0.000 2.487 469 K HA -0.042 4.278 4.320 0.001 0.000 0.192 469 K C 0.898 177.521 176.600 0.039 0.000 1.027 469 K CA 0.700 57.000 56.287 0.022 0.000 1.054 469 K CB 0.147 32.664 32.500 0.029 0.000 0.824 469 K HN 0.425 nan 8.250 nan 0.000 0.510 470 Q N -0.832 118.915 119.800 -0.089 0.000 2.303 470 Q HA 0.227 4.567 4.340 0.001 0.000 0.303 470 Q C -0.191 175.350 176.000 -0.766 0.000 0.831 470 Q CA -0.282 55.319 55.803 -0.336 0.000 1.066 470 Q CB -0.007 28.492 28.738 -0.398 0.000 1.354 470 Q HN -0.059 nan 8.270 nan 0.000 0.394 471 N N 1.362 119.811 118.700 -0.420 0.000 2.430 471 N HA -0.132 4.608 4.740 0.001 0.000 0.186 471 N C 1.210 176.417 175.510 -0.505 0.000 1.032 471 N CA 1.625 54.362 53.050 -0.522 0.000 0.893 471 N CB -0.056 38.360 38.487 -0.118 0.000 0.957 471 N HN 0.696 nan 8.380 nan 0.000 0.442 472 W N 0.603 121.771 121.300 -0.221 0.000 2.421 472 W HA -0.062 4.598 4.660 0.000 0.000 0.270 472 W C 1.466 177.940 176.519 -0.076 0.000 1.233 472 W CA -0.069 57.215 57.345 -0.102 0.000 1.226 472 W CB -0.921 28.522 29.460 -0.028 0.000 1.121 472 W HN -0.018 nan 8.180 nan 0.000 0.579 473 L N 1.626 122.249 121.223 -1.001 0.000 2.217 473 L HA -0.033 4.307 4.340 0.001 0.000 0.211 473 L C 2.363 178.942 176.870 -0.485 0.000 1.107 473 L CA 1.926 56.241 54.840 -0.876 0.000 0.783 473 L CB -1.029 40.193 42.059 -1.394 0.000 0.919 473 L HN -0.002 nan 8.230 nan 0.000 0.442 474 H N -1.544 117.198 119.070 -0.546 0.000 2.546 474 H HA -0.005 4.551 4.556 0.000 0.000 0.277 474 H C 2.124 177.294 175.328 -0.264 0.000 1.004 474 H CA 0.641 56.287 56.048 -0.670 0.000 1.231 474 H CB -0.003 29.534 29.762 -0.375 0.000 1.382 474 H HN 0.524 nan 8.280 nan 0.000 0.580 475 S N -0.133 115.562 115.700 -0.008 0.000 2.522 475 S HA -0.122 4.348 4.470 0.001 0.000 0.227 475 S C 1.230 175.828 174.600 -0.002 0.000 0.986 475 S CA 0.456 58.654 58.200 -0.004 0.000 0.929 475 S CB -0.270 62.913 63.200 -0.027 0.000 0.769 475 S HN 0.438 nan 8.310 nan 0.000 0.529 476 Y N 0.592 120.957 120.300 0.108 0.000 2.466 476 Y HA 0.409 4.959 4.550 0.000 0.000 0.272 476 Y C 0.558 176.736 175.900 0.465 0.000 1.169 476 Y CA -0.721 57.567 58.100 0.314 0.000 1.285 476 Y CB -0.016 38.670 38.460 0.378 0.000 1.078 476 Y HN 0.224 nan 8.280 nan 0.000 0.523 477 F N 0.167 120.115 119.950 -0.003 0.000 2.412 477 F HA 0.235 4.762 4.527 0.001 0.000 0.348 477 F C 0.120 175.530 175.800 -0.650 0.000 1.102 477 F CA -0.504 57.300 58.000 -0.327 0.000 1.196 477 F CB 0.528 39.081 39.000 -0.745 0.000 1.144 477 F HN 0.033 nan 8.300 nan 0.000 0.541 478 H N 1.324 120.281 119.070 -0.189 0.000 2.747 478 H HA 0.329 4.885 4.556 0.001 0.000 0.371 478 H C -0.730 174.673 175.328 0.124 0.000 1.161 478 H CA -1.056 54.975 56.048 -0.028 0.000 1.167 478 H CB 1.494 31.238 29.762 -0.030 0.000 1.732 478 H HN 0.421 nan 8.280 nan 0.000 0.544 479 K N 0.920 121.526 120.400 0.344 0.000 2.219 479 K HA 0.014 4.334 4.320 0.001 0.000 0.258 479 K C -0.372 176.310 176.600 0.137 0.000 1.008 479 K CA -0.446 56.007 56.287 0.276 0.000 0.928 479 K CB 1.168 33.754 32.500 0.143 0.000 0.983 479 K HN 0.492 nan 8.250 nan 0.000 0.484 480 W N 2.118 123.363 121.300 -0.093 0.000 2.335 480 W HA 0.215 4.876 4.660 0.000 0.000 0.306 480 W C -0.889 175.558 176.519 -0.121 0.000 1.216 480 W CA -0.057 57.190 57.345 -0.162 0.000 1.237 480 W CB 1.238 30.565 29.460 -0.221 0.000 1.243 480 W HN 0.421 nan 8.180 nan 0.000 0.493 481 S N 4.539 119.790 115.700 -0.747 0.000 2.668 481 S HA 0.658 5.128 4.470 0.001 0.000 0.277 481 S C -0.603 173.515 174.600 -0.804 0.000 1.170 481 S CA -0.214 57.623 58.200 -0.605 0.000 0.994 481 S CB 1.097 64.110 63.200 -0.311 0.000 1.051 481 S HN 0.696 nan 8.310 nan 0.000 0.484 482 A N 4.142 126.542 122.820 -0.699 0.000 2.992 482 A HA 0.404 4.724 4.320 0.001 0.000 0.263 482 A C 0.954 178.331 177.584 -0.344 0.000 0.928 482 A CA -0.315 51.385 52.037 -0.562 0.000 1.061 482 A CB 0.118 18.733 19.000 -0.642 0.000 1.173 482 A HN 0.718 nan 8.150 nan 0.000 0.482 483 E N -0.233 119.802 120.200 -0.276 0.000 2.160 483 E HA -0.171 4.179 4.350 0.001 0.000 0.195 483 E C 1.870 178.372 176.600 -0.164 0.000 0.991 483 E CA 1.734 58.006 56.400 -0.212 0.000 0.810 483 E CB -0.346 29.264 29.700 -0.149 0.000 0.742 483 E HN 0.598 nan 8.360 nan 0.000 0.466 484 T N 0.676 115.150 114.554 -0.133 0.000 2.778 484 T HA -0.133 4.217 4.350 0.001 0.000 0.269 484 T C 1.682 176.379 174.700 -0.004 0.000 1.050 484 T CA 1.888 63.962 62.100 -0.044 0.000 1.137 484 T CB -0.039 68.811 68.868 -0.030 0.000 0.860 484 T HN 0.242 nan 8.240 nan 0.000 0.468 485 S N -1.152 114.456 115.700 -0.154 0.000 2.650 485 S HA 0.476 4.947 4.470 0.001 0.000 0.240 485 S C 1.385 175.749 174.600 -0.393 0.000 1.007 485 S CA 0.437 58.520 58.200 -0.195 0.000 0.984 485 S CB 0.209 63.110 63.200 -0.497 0.000 0.910 485 S HN 0.889 nan 8.310 nan 0.000 0.509 486 G N 1.918 110.335 108.800 -0.637 0.000 2.273 486 G HA2 -0.286 3.674 3.960 0.001 0.000 0.280 486 G HA3 -0.286 3.674 3.960 0.001 0.000 0.280 486 G C 0.377 174.929 174.900 -0.580 0.000 1.047 486 G CA 0.326 44.756 45.100 -1.116 0.000 0.869 486 G HN 0.568 nan 8.290 nan 0.000 0.502 487 R N -0.556 119.749 120.500 -0.324 0.000 2.600 487 R HA 0.271 4.611 4.340 0.001 0.000 0.392 487 R C 2.021 178.350 176.300 0.047 0.000 1.032 487 R CA 0.425 56.461 56.100 -0.107 0.000 1.139 487 R CB 0.258 30.552 30.300 -0.010 0.000 1.400 487 R HN 0.248 nan 8.270 nan 0.000 0.566 488 S N 1.164 116.800 115.700 -0.108 0.000 2.440 488 S HA -0.085 4.385 4.470 0.001 0.000 0.238 488 S C 1.239 175.897 174.600 0.097 0.000 1.010 488 S CA 1.074 59.228 58.200 -0.075 0.000 0.972 488 S CB -0.052 63.048 63.200 -0.167 0.000 0.774 488 S HN 0.396 nan 8.310 nan 0.000 0.501 489 N N 0.952 119.661 118.700 0.014 0.000 2.236 489 N HA 0.222 4.962 4.740 0.001 0.000 0.196 489 N C -0.059 175.426 175.510 -0.043 0.000 1.114 489 N CA 0.120 53.152 53.050 -0.030 0.000 0.859 489 N CB 0.350 38.790 38.487 -0.078 0.000 0.982 489 N HN 0.262 nan 8.380 nan 0.000 0.493 490 A N 1.831 124.658 122.820 0.012 0.000 2.478 490 A HA 0.385 4.705 4.320 0.001 0.000 0.327 490 A C 0.558 178.050 177.584 -0.152 0.000 1.431 490 A CA -0.495 51.509 52.037 -0.055 0.000 1.014 490 A CB 0.128 19.109 19.000 -0.031 0.000 1.143 490 A HN -0.025 nan 8.150 nan 0.000 0.532 491 M N 3.639 123.068 119.600 -0.286 0.000 2.250 491 M HA 0.138 4.618 4.480 0.001 0.000 0.337 491 M C -2.224 173.691 176.300 -0.642 0.000 1.161 491 M CA -2.033 52.948 55.300 -0.532 0.000 1.088 491 M CB -0.347 31.976 32.600 -0.461 0.000 1.639 491 M HN 0.343 nan 8.290 nan 0.000 0.447 492 P HA 0.098 nan 4.420 nan 0.000 0.276 492 P C -0.045 176.994 177.300 -0.434 0.000 1.235 492 P CA 0.261 62.789 63.100 -0.953 0.000 0.772 492 P CB 0.626 31.410 31.700 -1.527 0.000 0.871 493 H N 2.868 121.744 119.070 -0.323 0.000 3.241 493 H HA 0.297 4.853 4.556 0.001 0.000 0.260 493 H C 0.602 175.881 175.328 -0.082 0.000 1.084 493 H CA -0.379 55.563 56.048 -0.177 0.000 1.203 493 H CB 0.763 30.431 29.762 -0.156 0.000 1.524 493 H HN 0.334 nan 8.280 nan 0.000 0.521 494 I N 2.474 123.024 120.570 -0.034 0.000 2.836 494 I HA 0.020 4.190 4.170 0.001 0.000 0.285 494 I C -0.737 175.402 176.117 0.037 0.000 1.174 494 I CA 0.097 61.442 61.300 0.075 0.000 1.405 494 I CB 0.391 38.518 38.000 0.211 0.000 1.385 494 I HN 0.060 nan 8.210 nan 0.000 0.594 495 K N 4.607 125.083 120.400 0.128 0.000 2.397 495 K HA 0.519 4.839 4.320 0.001 0.000 0.253 495 K C -0.980 175.710 176.600 0.151 0.000 0.932 495 K CA -0.616 55.745 56.287 0.124 0.000 0.795 495 K CB 2.099 34.742 32.500 0.240 0.000 1.159 495 K HN 0.651 nan 8.250 nan 0.000 0.424 496 T N -1.177 113.334 114.554 -0.071 0.000 2.903 496 T HA 0.689 5.039 4.350 0.001 0.000 0.299 496 T C -1.191 173.211 174.700 -0.497 0.000 1.093 496 T CA -0.856 61.171 62.100 -0.122 0.000 1.002 496 T CB 0.661 69.530 68.868 0.003 0.000 1.127 496 T HN 0.389 nan 8.240 nan 0.000 0.488 497 Y N 1.370 121.641 120.300 -0.049 0.000 2.492 497 Y HA 0.748 5.298 4.550 0.000 0.000 0.346 497 Y C 0.041 175.821 175.900 -0.200 0.000 0.997 497 Y CA -1.182 56.949 58.100 0.051 0.000 1.025 497 Y CB 2.406 41.038 38.460 0.286 0.000 1.263 497 Y HN 1.091 nan 8.280 nan 0.000 0.454 498 M N 1.119 120.552 119.600 -0.278 0.000 2.949 498 M HA 0.747 5.227 4.480 0.001 0.000 0.270 498 M C -1.945 173.845 176.300 -0.850 0.000 1.221 498 M CA -0.988 53.866 55.300 -0.742 0.000 0.818 498 M CB 2.809 35.215 32.600 -0.324 0.000 1.635 498 M HN 0.515 nan 8.290 nan 0.000 0.492 499 R N 1.309 121.234 120.500 -0.959 0.000 2.513 499 R HA 0.611 4.952 4.340 0.001 0.000 0.283 499 R C -2.995 173.201 176.300 -0.174 0.000 1.535 499 R CA -1.176 54.566 56.100 -0.597 0.000 1.315 499 R CB 1.149 30.921 30.300 -0.879 0.000 1.163 499 R HN 0.406 nan 8.270 nan 0.000 0.573 500 P HA 0.221 nan 4.420 nan 0.000 0.278 500 P C -0.624 176.376 177.300 -0.500 0.000 1.258 500 P CA -0.491 62.489 63.100 -0.200 0.000 0.811 500 P CB 1.176 32.762 31.700 -0.191 0.000 1.063 501 S N 0.879 115.956 115.700 -1.039 0.000 2.608 501 S HA 0.195 4.665 4.470 0.001 0.000 0.261 501 S C -1.691 172.196 174.600 -1.188 0.000 1.314 501 S CA -0.771 56.266 58.200 -1.939 0.000 0.992 501 S CB -0.791 61.378 63.200 -1.718 0.000 0.935 501 S HN 0.268 nan 8.310 nan 0.000 0.564 502 P HA -0.144 nan 4.420 nan 0.000 0.217 502 P C 0.655 177.688 177.300 -0.446 0.000 1.151 502 P CA 1.648 64.407 63.100 -0.567 0.000 0.849 502 P CB -0.175 31.319 31.700 -0.343 0.000 0.787 503 D N -2.449 117.732 120.400 -0.365 0.000 2.340 503 D HA -0.019 4.621 4.640 0.001 0.000 0.217 503 D C 0.223 176.558 176.300 0.058 0.000 1.081 503 D CA -0.607 53.340 54.000 -0.088 0.000 0.842 503 D CB -1.098 39.662 40.800 -0.066 0.000 0.934 503 D HN 0.129 nan 8.370 nan 0.000 0.511 504 F N 0.234 120.068 119.950 -0.193 0.000 3.006 504 F HA -0.299 4.228 4.527 0.001 0.000 0.289 504 F C 1.691 177.421 175.800 -0.116 0.000 0.772 504 F CA 0.831 58.746 58.000 -0.142 0.000 1.162 504 F CB -2.505 36.444 39.000 -0.085 0.000 1.382 504 F HN 0.218 nan 8.300 nan 0.000 0.406 505 S N -0.919 114.761 115.700 -0.033 0.000 2.501 505 S HA 0.117 4.587 4.470 0.001 0.000 0.220 505 S C 0.616 175.207 174.600 -0.014 0.000 0.997 505 S CA 0.555 58.748 58.200 -0.011 0.000 0.919 505 S CB 0.353 63.536 63.200 -0.029 0.000 0.778 505 S HN 0.618 nan 8.310 nan 0.000 0.523 506 K N 0.649 121.002 120.400 -0.079 0.000 2.495 506 K HA 0.718 5.039 4.320 0.001 0.000 0.268 506 K C -1.258 175.340 176.600 -0.004 0.000 1.008 506 K CA -1.266 55.022 56.287 0.001 0.000 0.882 506 K CB 1.484 34.010 32.500 0.044 0.000 1.443 506 K HN 0.311 nan 8.250 nan 0.000 0.447 507 I N -2.920 117.731 120.570 0.134 0.000 2.769 507 I HA 0.568 4.738 4.170 0.001 0.000 0.298 507 I C 0.223 176.436 176.117 0.159 0.000 1.128 507 I CA -1.021 60.368 61.300 0.148 0.000 1.031 507 I CB 2.423 40.468 38.000 0.075 0.000 1.235 507 I HN 0.783 nan 8.210 nan 0.000 0.423 508 A N 4.993 127.886 122.820 0.121 0.000 2.021 508 A HA 0.263 4.583 4.320 0.001 0.000 0.216 508 A C 0.336 177.961 177.584 0.068 0.000 1.163 508 A CA 0.842 52.870 52.037 -0.016 0.000 0.676 508 A CB -0.040 18.890 19.000 -0.116 0.000 0.818 508 A HN 0.935 nan 8.150 nan 0.000 0.453 509 W N -4.739 116.578 121.300 0.028 0.000 2.986 509 W HA 0.569 5.229 4.660 0.000 0.000 0.345 509 W C -2.333 174.283 176.519 0.162 0.000 1.191 509 W CA -1.564 55.833 57.345 0.086 0.000 1.170 509 W CB 0.140 29.620 29.460 0.033 0.000 1.438 509 W HN 0.035 nan 8.180 nan 0.000 0.567 510 F N 2.637 122.833 119.950 0.410 0.000 2.604 510 F HA 0.639 5.166 4.527 0.000 0.000 0.316 510 F C -1.942 174.134 175.800 0.460 0.000 1.136 510 F CA -0.922 57.167 58.000 0.148 0.000 0.989 510 F CB 1.775 40.371 39.000 -0.674 0.000 1.258 510 F HN 0.337 nan 8.300 nan 0.000 0.451 511 L N 7.369 128.725 121.223 0.222 0.000 2.362 511 L HA 0.839 5.180 4.340 0.001 0.000 0.275 511 L C -1.883 175.111 176.870 0.206 0.000 0.998 511 L CA -0.810 54.223 54.840 0.322 0.000 0.820 511 L CB 1.734 44.043 42.059 0.416 0.000 1.270 511 L HN 0.498 nan 8.230 nan 0.000 0.415 512 V N 5.120 125.242 119.914 0.346 0.000 2.555 512 V HA 0.908 5.029 4.120 0.001 0.000 0.302 512 V C -0.555 175.725 176.094 0.311 0.000 1.038 512 V CA 0.545 63.064 62.300 0.365 0.000 0.887 512 V CB 1.888 33.996 31.823 0.475 0.000 0.991 512 V HN 1.092 nan 8.190 nan 0.000 0.434 513 T N 2.322 117.060 114.554 0.305 0.000 2.718 513 T HA 0.299 4.649 4.350 0.001 0.000 0.306 513 T C 0.672 175.475 174.700 0.171 0.000 1.485 513 T CA 0.244 62.469 62.100 0.208 0.000 0.997 513 T CB 1.480 70.471 68.868 0.205 0.000 1.504 513 T HN 1.152 nan 8.240 nan 0.000 0.497 514 S N 0.699 116.443 115.700 0.073 0.000 2.558 514 S HA 0.442 4.912 4.470 0.001 0.000 0.217 514 S C 1.018 175.710 174.600 0.154 0.000 0.975 514 S CA 0.273 58.512 58.200 0.065 0.000 0.912 514 S CB -0.242 62.929 63.200 -0.049 0.000 0.776 514 S HN 1.085 nan 8.310 nan 0.000 0.526 515 A N 2.565 125.399 122.820 0.024 0.000 2.451 515 A HA 0.444 4.765 4.320 0.001 0.000 0.266 515 A C 0.415 178.105 177.584 0.177 0.000 1.119 515 A CA -0.531 51.417 52.037 -0.148 0.000 0.786 515 A CB 0.016 18.498 19.000 -0.863 0.000 1.061 515 A HN 0.428 nan 8.150 nan 0.000 0.503 516 N N 0.554 119.298 118.700 0.074 0.000 2.418 516 N HA 0.236 4.976 4.740 0.001 0.000 0.283 516 N C -0.488 175.104 175.510 0.137 0.000 1.267 516 N CA -0.520 52.621 53.050 0.150 0.000 0.975 516 N CB 0.515 38.978 38.487 -0.040 0.000 1.167 516 N HN 0.535 nan 8.380 nan 0.000 0.581 517 L N 1.294 122.369 121.223 -0.247 0.000 2.404 517 L HA 0.207 4.548 4.340 0.001 0.000 0.277 517 L C -0.236 176.411 176.870 -0.373 0.000 1.184 517 L CA 0.364 54.930 54.840 -0.458 0.000 1.013 517 L CB -1.222 40.085 42.059 -1.252 0.000 1.318 517 L HN 0.575 nan 8.230 nan 0.000 0.435 518 S N 1.778 117.357 115.700 -0.201 0.000 2.552 518 S HA 0.409 4.880 4.470 0.001 0.000 0.272 518 S C 0.471 174.831 174.600 -0.400 0.000 1.150 518 S CA -0.829 57.144 58.200 -0.379 0.000 0.849 518 S CB 1.170 64.189 63.200 -0.301 0.000 1.113 518 S HN 0.440 nan 8.310 nan 0.000 0.458 519 K N 1.034 121.024 120.400 -0.683 0.000 2.148 519 K HA 0.088 4.408 4.320 0.001 0.000 0.204 519 K C 2.313 178.816 176.600 -0.162 0.000 1.050 519 K CA 1.339 57.284 56.287 -0.570 0.000 0.942 519 K CB -0.499 31.565 32.500 -0.728 0.000 0.724 519 K HN 0.686 nan 8.250 nan 0.000 0.446 520 A N 1.484 124.192 122.820 -0.186 0.000 1.908 520 A HA -0.166 4.154 4.320 0.001 0.000 0.218 520 A C 2.338 179.858 177.584 -0.105 0.000 1.181 520 A CA 2.054 54.020 52.037 -0.118 0.000 0.627 520 A CB -0.650 18.269 19.000 -0.134 0.000 0.818 520 A HN 0.337 nan 8.150 nan 0.000 0.445 521 A N -2.368 120.365 122.820 -0.146 0.000 1.903 521 A HA 0.039 4.360 4.320 0.001 0.000 0.213 521 A C 1.878 179.341 177.584 -0.202 0.000 1.185 521 A CA 1.058 52.949 52.037 -0.245 0.000 0.628 521 A CB -0.574 18.197 19.000 -0.382 0.000 0.830 521 A HN 0.719 nan 8.150 nan 0.000 0.446 522 W N -1.047 120.328 121.300 0.126 0.000 2.907 522 W HA 0.418 5.078 4.660 0.000 0.000 0.271 522 W C 1.066 177.856 176.519 0.452 0.000 1.253 522 W CA 0.955 58.502 57.345 0.335 0.000 1.501 522 W CB 0.430 30.215 29.460 0.542 0.000 1.047 522 W HN 0.628 nan 8.180 nan 0.000 0.610 523 G N 0.814 109.945 108.800 0.551 0.000 2.650 523 G HA2 0.318 4.278 3.960 0.001 0.000 0.686 523 G HA3 0.318 4.278 3.960 0.001 0.000 0.686 523 G C -1.237 174.067 174.900 0.674 0.000 1.205 523 G CA -0.740 44.636 45.100 0.460 0.000 0.781 523 G HN 0.557 nan 8.290 nan 0.000 0.648 524 A N 1.279 124.364 122.820 0.441 0.000 2.422 524 A HA 0.825 5.145 4.320 0.001 0.000 0.302 524 A C -0.035 177.739 177.584 0.317 0.000 1.041 524 A CA -0.605 51.718 52.037 0.476 0.000 0.708 524 A CB 1.315 20.430 19.000 0.192 0.000 1.257 524 A HN 1.394 nan 8.150 nan 0.000 0.414 525 L N 1.872 123.303 121.223 0.347 0.000 2.426 525 L HA 0.360 4.701 4.340 0.001 0.000 0.271 525 L C 0.601 177.550 176.870 0.132 0.000 1.169 525 L CA 0.285 55.243 54.840 0.197 0.000 0.836 525 L CB 0.794 42.990 42.059 0.227 0.000 1.112 525 L HN 0.835 nan 8.230 nan 0.000 0.465 531 Q N 0.939 120.718 119.800 -0.035 0.000 2.418 531 Q HA 0.819 5.160 4.340 0.001 0.000 0.282 531 Q C -1.928 174.039 176.000 -0.055 0.000 1.044 531 Q CA -0.762 55.009 55.803 -0.053 0.000 0.813 531 Q CB 1.868 30.580 28.738 -0.044 0.000 1.428 531 Q HN 0.812 nan 8.270 nan 0.000 0.402 532 L N 2.086 123.276 121.223 -0.055 0.000 2.272 532 L HA 0.764 5.104 4.340 0.001 0.000 0.289 532 L C -0.339 176.597 176.870 0.110 0.000 1.032 532 L CA -0.595 54.238 54.840 -0.011 0.000 0.810 532 L CB 1.636 43.611 42.059 -0.139 0.000 1.205 532 L HN 0.845 nan 8.230 nan 0.000 0.422 533 M N 6.856 126.518 119.600 0.102 0.000 2.149 533 M HA 0.458 4.939 4.480 0.001 0.000 0.342 533 M C -1.412 174.956 176.300 0.113 0.000 1.068 533 M CA -0.295 55.048 55.300 0.071 0.000 0.991 533 M CB 0.875 33.486 32.600 0.019 0.000 1.596 533 M HN 0.547 nan 8.290 nan 0.000 0.439 534 I N 5.140 125.781 120.570 0.119 0.000 2.465 534 I HA 0.356 4.527 4.170 0.001 0.000 0.291 534 I C 0.905 177.010 176.117 -0.019 0.000 1.014 534 I CA -0.456 60.895 61.300 0.084 0.000 1.093 534 I CB 2.106 40.189 38.000 0.138 0.000 1.267 534 I HN 0.718 nan 8.210 nan 0.000 0.431 535 R N 2.088 122.560 120.500 -0.046 0.000 2.189 535 R HA 0.202 4.543 4.340 0.001 0.000 0.203 535 R C 0.142 176.376 176.300 -0.110 0.000 1.012 535 R CA 0.416 56.478 56.100 -0.065 0.000 1.015 535 R CB 0.331 30.617 30.300 -0.023 0.000 0.938 535 R HN 0.552 nan 8.270 nan 0.000 0.472 536 S N -0.821 114.794 115.700 -0.141 0.000 2.671 536 S HA 0.425 4.896 4.470 0.001 0.000 0.299 536 S C -1.185 173.275 174.600 -0.234 0.000 1.116 536 S CA -0.733 57.389 58.200 -0.131 0.000 0.912 536 S CB 1.133 64.284 63.200 -0.082 0.000 1.130 536 S HN 0.016 nan 8.310 nan 0.000 0.501 537 Y N 1.514 121.757 120.300 -0.094 0.000 2.327 537 Y HA 0.494 5.045 4.550 0.000 0.000 0.336 537 Y C 0.885 176.737 175.900 -0.080 0.000 1.035 537 Y CA -0.119 57.927 58.100 -0.090 0.000 1.165 537 Y CB 0.697 39.096 38.460 -0.102 0.000 1.181 537 Y HN 0.455 nan 8.280 nan 0.000 0.494 538 E N 2.705 122.938 120.200 0.055 0.000 2.429 538 E HA 0.629 4.979 4.350 0.001 0.000 0.276 538 E C -1.816 174.711 176.600 -0.121 0.000 0.953 538 E CA -1.055 55.317 56.400 -0.047 0.000 0.787 538 E CB 3.249 32.844 29.700 -0.175 0.000 1.307 538 E HN 0.425 nan 8.360 nan 0.000 0.458 539 L N -0.041 121.088 121.223 -0.156 0.000 2.549 539 L HA 0.715 5.055 4.340 0.001 0.000 0.259 539 L C -0.832 175.971 176.870 -0.111 0.000 0.934 539 L CA 0.011 54.714 54.840 -0.229 0.000 0.865 539 L CB 2.110 43.946 42.059 -0.371 0.000 1.352 539 L HN 0.678 nan 8.230 nan 0.000 0.410 540 G N 1.937 110.686 108.800 -0.085 0.000 2.687 540 G HA2 0.692 4.652 3.960 0.001 0.000 0.291 540 G HA3 0.692 4.652 3.960 0.001 0.000 0.291 540 G C -1.766 173.108 174.900 -0.043 0.000 1.420 540 G CA -0.063 45.039 45.100 0.003 0.000 0.796 540 G HN 1.085 nan 8.290 nan 0.000 0.485 541 V N -1.917 117.949 119.914 -0.080 0.000 2.656 541 V HA 0.851 4.971 4.120 0.001 0.000 0.307 541 V C -0.966 174.939 176.094 -0.314 0.000 1.051 541 V CA -1.139 60.980 62.300 -0.301 0.000 0.893 541 V CB 1.479 32.860 31.823 -0.737 0.000 0.999 541 V HN 0.901 nan 8.190 nan 0.000 0.426 542 L N 4.653 125.722 121.223 -0.257 0.000 2.296 542 L HA 0.737 5.077 4.340 0.001 0.000 0.286 542 L C -1.055 175.762 176.870 -0.088 0.000 1.023 542 L CA -0.220 54.574 54.840 -0.077 0.000 0.812 542 L CB 1.181 43.231 42.059 -0.014 0.000 1.223 542 L HN 0.637 nan 8.230 nan 0.000 0.421 543 F N 6.170 126.310 119.950 0.317 0.000 2.361 543 F HA 0.482 5.009 4.527 0.000 0.000 0.364 543 F C -0.212 175.919 175.800 0.551 0.000 1.120 543 F CA -0.387 57.880 58.000 0.444 0.000 1.102 543 F CB 0.823 40.068 39.000 0.408 0.000 1.183 543 F HN 0.222 nan 8.300 nan 0.000 0.476 544 L N 5.970 127.566 121.223 0.622 0.000 2.313 544 L HA 0.363 4.703 4.340 0.001 0.000 0.283 544 L C -1.629 175.434 176.870 0.321 0.000 1.013 544 L CA -1.912 53.156 54.840 0.379 0.000 0.816 544 L CB 2.151 44.341 42.059 0.218 0.000 1.236 544 L HN 0.299 nan 8.230 nan 0.000 0.419 545 P HA -0.214 nan 4.420 nan 0.000 0.216 545 P C 1.601 178.939 177.300 0.063 0.000 1.150 545 P CA 1.396 64.319 63.100 -0.296 0.000 0.843 545 P CB 0.217 31.598 31.700 -0.533 0.000 0.787 546 S N -0.626 115.113 115.700 0.065 0.000 2.419 546 S HA -0.126 4.344 4.470 0.001 0.000 0.233 546 S C 2.010 176.695 174.600 0.141 0.000 1.016 546 S CA 1.152 59.410 58.200 0.095 0.000 0.974 546 S CB -1.326 61.928 63.200 0.090 0.000 0.786 546 S HN 0.139 nan 8.310 nan 0.000 0.492 547 A N 1.151 124.096 122.820 0.208 0.000 2.119 547 A HA 0.355 4.675 4.320 0.001 0.000 0.217 547 A C 1.974 179.654 177.584 0.159 0.000 1.153 547 A CA 0.779 52.922 52.037 0.176 0.000 0.692 547 A CB -0.464 18.659 19.000 0.204 0.000 0.799 547 A HN 0.601 nan 8.150 nan 0.000 0.458 548 L N -1.647 119.705 121.223 0.214 0.000 2.728 548 L HA 0.287 4.628 4.340 0.001 0.000 0.238 548 L C 1.406 178.358 176.870 0.137 0.000 1.143 548 L CA 0.397 55.346 54.840 0.182 0.000 0.937 548 L CB 0.008 42.232 42.059 0.275 0.000 1.225 548 L HN 0.492 nan 8.230 nan 0.000 0.507 549 G N 1.102 109.972 108.800 0.117 0.000 2.147 549 G HA2 -0.262 3.699 3.960 0.001 0.000 0.244 549 G HA3 -0.262 3.699 3.960 0.001 0.000 0.244 549 G C -0.002 174.947 174.900 0.082 0.000 1.005 549 G CA 0.211 45.361 45.100 0.083 0.000 0.713 549 G HN 0.257 nan 8.290 nan 0.000 0.515 550 L N -0.881 120.400 121.223 0.097 0.000 2.304 550 L HA 0.589 4.930 4.340 0.001 0.000 0.268 550 L C 0.805 177.677 176.870 0.003 0.000 1.010 550 L CA -1.052 53.832 54.840 0.073 0.000 0.813 550 L CB 1.026 43.169 42.059 0.141 0.000 1.315 550 L HN -0.062 nan 8.230 nan 0.000 0.445 551 D N -0.750 119.642 120.400 -0.012 0.000 2.392 551 D HA 0.072 4.713 4.640 0.001 0.000 0.206 551 D C 0.145 176.383 176.300 -0.102 0.000 1.046 551 D CA 0.562 54.531 54.000 -0.051 0.000 0.865 551 D CB 1.002 41.787 40.800 -0.024 0.000 0.969 551 D HN 0.552 nan 8.370 nan 0.000 0.509 552 S N -0.748 114.894 115.700 -0.097 0.000 2.615 552 S HA 0.559 5.030 4.470 0.001 0.000 0.269 552 S C -1.205 173.356 174.600 -0.066 0.000 1.161 552 S CA -0.939 57.190 58.200 -0.118 0.000 0.817 552 S CB 1.272 64.523 63.200 0.086 0.000 1.131 552 S HN -0.038 nan 8.310 nan 0.000 0.467 553 F N 1.132 121.179 119.950 0.162 0.000 2.469 553 F HA 0.522 5.050 4.527 0.000 0.000 0.332 553 F C 0.631 176.501 175.800 0.116 0.000 1.103 553 F CA -1.078 57.022 58.000 0.166 0.000 0.979 553 F CB 1.906 40.998 39.000 0.153 0.000 1.137 553 F HN 0.364 nan 8.300 nan 0.000 0.463 554 K N 2.011 122.593 120.400 0.303 0.000 2.218 554 K HA 0.376 4.697 4.320 0.001 0.000 0.276 554 K C -0.661 176.024 176.600 0.142 0.000 1.022 554 K CA -0.634 55.755 56.287 0.170 0.000 0.946 554 K CB 1.587 34.158 32.500 0.119 0.000 1.000 554 K HN 0.309 nan 8.250 nan 0.000 0.468 555 V N 3.437 123.406 119.914 0.090 0.000 2.555 555 V HA 0.027 4.147 4.120 0.001 0.000 0.286 555 V C 0.568 176.666 176.094 0.008 0.000 1.044 555 V CA -0.316 62.018 62.300 0.056 0.000 1.026 555 V CB 0.795 32.650 31.823 0.054 0.000 0.981 555 V HN 0.631 nan 8.190 nan 0.000 0.480 556 K N 3.866 124.236 120.400 -0.049 0.000 2.383 556 K HA 0.238 4.559 4.320 0.001 0.000 0.286 556 K C 1.280 177.851 176.600 -0.049 0.000 1.051 556 K CA 0.545 56.782 56.287 -0.084 0.000 0.974 556 K CB 1.153 33.533 32.500 -0.199 0.000 0.968 556 K HN 0.857 nan 8.250 nan 0.000 0.475 557 Q N 3.123 122.904 119.800 -0.031 0.000 2.046 557 Q HA -0.088 4.252 4.340 0.001 0.000 0.200 557 Q C 1.031 177.028 176.000 -0.006 0.000 0.975 557 Q CA 2.208 58.001 55.803 -0.016 0.000 0.836 557 Q CB -0.660 28.070 28.738 -0.013 0.000 0.896 557 Q HN 0.713 nan 8.270 nan 0.000 0.428 558 K N 0.101 120.498 120.400 -0.006 0.000 2.265 558 K HA 0.625 4.945 4.320 0.001 0.000 0.267 558 K C -0.401 176.218 176.600 0.032 0.000 0.994 558 K CA -0.706 55.599 56.287 0.029 0.000 0.860 558 K CB 0.366 32.880 32.500 0.023 0.000 1.099 558 K HN 0.499 nan 8.250 nan 0.000 0.448 569 T N -1.549 113.126 114.554 0.201 0.000 2.767 569 T HA 0.643 4.993 4.350 0.001 0.000 0.284 569 T C -0.479 174.183 174.700 -0.063 0.000 0.973 569 T CA -0.515 61.649 62.100 0.107 0.000 0.996 569 T CB 0.675 69.562 68.868 0.032 0.000 0.927 569 T HN 0.533 nan 8.240 nan 0.000 0.456 570 F N 6.443 126.172 119.950 -0.368 0.000 2.438 570 F HA 0.420 4.948 4.527 0.000 0.000 0.356 570 F C -1.876 173.562 175.800 -0.603 0.000 1.099 570 F CA -2.527 54.958 58.000 -0.857 0.000 1.185 570 F CB 1.369 39.770 39.000 -1.000 0.000 1.115 570 F HN 0.430 nan 8.300 nan 0.000 0.526 571 P HA 0.038 nan 4.420 nan 0.000 0.252 571 P C -0.620 176.528 177.300 -0.254 0.000 1.727 571 P CA 0.127 62.727 63.100 -0.833 0.000 1.134 571 P CB 0.148 31.048 31.700 -1.333 0.000 1.876 572 V N 6.458 126.354 119.914 -0.030 0.000 2.529 572 V HA 0.035 4.156 4.120 0.001 0.000 0.292 572 V C -0.716 175.434 176.094 0.093 0.000 1.028 572 V CA -0.675 61.636 62.300 0.019 0.000 1.074 572 V CB 0.698 32.484 31.823 -0.061 0.000 0.958 572 V HN 0.368 nan 8.190 nan 0.000 0.481 573 P HA 0.048 nan 4.420 nan 0.000 0.240 573 P C -0.324 176.851 177.300 -0.210 0.000 1.190 573 P CA 0.667 63.659 63.100 -0.180 0.000 0.781 573 P CB 0.139 31.809 31.700 -0.050 0.000 0.931 574 Y N -1.968 118.274 120.300 -0.095 0.000 2.659 574 Y HA 0.677 5.227 4.550 0.001 0.000 0.333 574 Y C -0.011 175.750 175.900 -0.232 0.000 1.064 574 Y CA -1.951 55.932 58.100 -0.362 0.000 1.141 574 Y CB -0.148 37.965 38.460 -0.579 0.000 1.316 574 Y HN -0.369 nan 8.280 nan 0.000 0.509 575 D N 1.301 121.634 120.400 -0.111 0.000 2.341 575 D HA 0.449 5.089 4.640 0.001 0.000 0.245 575 D C -0.675 175.562 176.300 -0.104 0.000 1.106 575 D CA 0.136 54.059 54.000 -0.128 0.000 0.905 575 D CB 1.448 42.139 40.800 -0.181 0.000 1.202 575 D HN 0.500 nan 8.370 nan 0.000 0.426 576 L N 2.034 123.162 121.223 -0.158 0.000 2.354 576 L HA 0.432 4.772 4.340 0.001 0.000 0.264 576 L C -2.097 174.563 176.870 -0.349 0.000 1.008 576 L CA -1.768 52.888 54.840 -0.307 0.000 0.819 576 L CB 1.865 43.784 42.059 -0.232 0.000 1.339 576 L HN 0.205 nan 8.230 nan 0.000 0.420 577 P HA 0.340 nan 4.420 nan 0.000 0.274 577 P C -2.678 174.266 177.300 -0.593 0.000 1.246 577 P CA -1.417 61.053 63.100 -1.049 0.000 0.795 577 P CB -0.468 30.640 31.700 -0.985 0.000 1.006 578 P HA 0.145 nan 4.420 nan 0.000 0.269 578 P C -0.408 176.799 177.300 -0.154 0.000 1.209 578 P CA 0.137 63.040 63.100 -0.329 0.000 0.776 578 P CB 0.408 31.811 31.700 -0.494 0.000 0.876 579 E N 2.174 122.377 120.200 0.005 0.000 2.133 579 E HA 0.278 4.628 4.350 0.001 0.000 0.274 579 E C -0.693 175.982 176.600 0.126 0.000 0.930 579 E CA -0.965 55.464 56.400 0.049 0.000 0.770 579 E CB 0.574 30.266 29.700 -0.013 0.000 1.104 579 E HN 0.220 nan 8.360 nan 0.000 0.403 580 L N 4.900 126.132 121.223 0.015 0.000 2.483 580 L HA 0.049 4.389 4.340 0.001 0.000 0.275 580 L C -0.605 176.298 176.870 0.055 0.000 1.220 580 L CA 0.174 54.881 54.840 -0.221 0.000 0.833 580 L CB 0.125 42.081 42.059 -0.172 0.000 1.102 580 L HN 0.516 nan 8.230 nan 0.000 0.490 581 Y N 2.693 122.935 120.300 -0.098 0.000 2.702 581 Y HA 0.234 4.784 4.550 0.001 0.000 0.336 581 Y C 1.086 176.983 175.900 -0.006 0.000 1.235 581 Y CA -0.095 58.005 58.100 0.001 0.000 1.492 581 Y CB -0.084 38.417 38.460 0.069 0.000 1.308 581 Y HN 0.724 nan 8.280 nan 0.000 0.589 582 G N 1.101 109.977 108.800 0.126 0.000 2.651 582 G HA2 0.236 4.196 3.960 0.001 0.000 0.260 582 G HA3 0.236 4.196 3.960 0.001 0.000 0.260 582 G C 0.831 175.781 174.900 0.082 0.000 1.216 582 G CA 0.021 45.162 45.100 0.068 0.000 0.913 582 G HN 0.698 nan 8.290 nan 0.000 0.535 583 S N -0.542 115.193 115.700 0.058 0.000 2.423 583 S HA -0.047 4.423 4.470 0.001 0.000 0.231 583 S C 1.611 176.245 174.600 0.057 0.000 1.014 583 S CA 0.932 59.169 58.200 0.062 0.000 0.965 583 S CB 0.016 63.243 63.200 0.044 0.000 0.785 583 S HN 0.392 nan 8.310 nan 0.000 0.495 584 K N 1.451 121.873 120.400 0.037 0.000 2.374 584 K HA 0.323 4.643 4.320 0.001 0.000 0.196 584 K C -0.290 176.314 176.600 0.008 0.000 1.023 584 K CA -0.025 56.278 56.287 0.027 0.000 1.103 584 K CB -0.285 32.226 32.500 0.018 0.000 0.848 584 K HN 0.444 nan 8.250 nan 0.000 0.528 585 D N 1.684 122.073 120.400 -0.018 0.000 2.339 585 D HA 0.185 4.825 4.640 0.001 0.000 0.245 585 D C -0.000 176.254 176.300 -0.076 0.000 1.115 585 D CA 0.129 54.045 54.000 -0.140 0.000 0.917 585 D CB 0.974 41.557 40.800 -0.362 0.000 1.192 585 D HN -0.098 nan 8.370 nan 0.000 0.428 586 R N 1.059 121.485 120.500 -0.124 0.000 2.725 586 R HA 0.417 4.757 4.340 0.001 0.000 0.277 586 R C -2.453 173.905 176.300 0.096 0.000 0.987 586 R CA -1.632 54.499 56.100 0.052 0.000 0.901 586 R CB 2.302 32.657 30.300 0.092 0.000 1.207 586 R HN 0.230 nan 8.270 nan 0.000 0.463 587 P HA -0.092 nan 4.420 nan 0.000 0.271 587 P C -0.599 176.994 177.300 0.488 0.000 1.218 587 P CA -0.222 63.273 63.100 0.658 0.000 0.780 587 P CB 0.716 32.784 31.700 0.613 0.000 0.901 588 W N 5.635 127.163 121.300 0.381 0.000 2.381 588 W HA 0.222 4.882 4.660 0.000 0.000 0.321 588 W C -1.462 175.335 176.519 0.463 0.000 1.407 588 W CA 0.064 57.553 57.345 0.240 0.000 1.274 588 W CB 0.063 29.520 29.460 -0.005 0.000 1.310 588 W HN 0.258 nan 8.180 nan 0.000 0.551 589 I N 9.530 129.810 120.570 -0.483 0.000 2.389 589 I HA 0.067 4.238 4.170 0.001 0.000 0.288 589 I C 0.779 176.567 176.117 -0.548 0.000 0.999 589 I CA -0.795 60.315 61.300 -0.317 0.000 1.129 589 I CB 1.262 39.148 38.000 -0.189 0.000 1.288 589 I HN 0.607 nan 8.210 nan 0.000 0.444 590 W N 6.712 127.785 121.300 -0.379 0.000 2.770 590 W HA 0.015 4.675 4.660 0.001 0.000 0.256 590 W C 0.675 177.342 176.519 0.246 0.000 1.291 590 W CA 0.462 57.822 57.345 0.025 0.000 1.396 590 W CB -0.994 28.765 29.460 0.499 0.000 1.114 590 W HN 0.592 nan 8.180 nan 0.000 0.637 591 N N 1.955 120.591 118.700 -0.107 0.000 2.328 591 N HA 0.134 4.874 4.740 0.001 0.000 0.247 591 N C -0.032 175.352 175.510 -0.210 0.000 1.165 591 N CA -0.158 52.701 53.050 -0.318 0.000 0.873 591 N CB -0.893 37.316 38.487 -0.462 0.000 1.125 591 N HN 0.448 nan 8.380 nan 0.000 0.513 592 I N -3.844 116.598 120.570 -0.213 0.000 2.846 592 I HA 0.749 4.919 4.170 0.001 0.000 0.307 592 I C -2.975 172.857 176.117 -0.475 0.000 1.053 592 I CA -2.736 58.357 61.300 -0.344 0.000 1.050 592 I CB 2.510 40.279 38.000 -0.385 0.000 1.239 592 I HN -0.308 nan 8.210 nan 0.000 0.439 593 P HA 0.347 nan 4.420 nan 0.000 0.282 593 P C -1.786 175.146 177.300 -0.613 0.000 1.249 593 P CA -0.145 62.727 63.100 -0.379 0.000 0.806 593 P CB 0.355 31.907 31.700 -0.247 0.000 0.984 594 Y N 0.473 120.754 120.300 -0.033 0.000 2.332 594 Y HA 0.321 4.871 4.550 0.001 0.000 0.326 594 Y C 0.979 176.844 175.900 -0.058 0.000 0.978 594 Y CA -0.537 57.510 58.100 -0.090 0.000 1.205 594 Y CB 1.554 39.853 38.460 -0.269 0.000 1.131 594 Y HN 0.122 nan 8.280 nan 0.000 0.462 595 V N -1.574 118.409 119.914 0.115 0.000 3.398 595 V HA 0.254 4.374 4.120 0.001 0.000 0.298 595 V C 1.126 177.296 176.094 0.127 0.000 1.496 595 V CA -0.172 62.192 62.300 0.107 0.000 1.044 595 V CB 0.496 32.343 31.823 0.039 0.000 0.880 595 V HN 0.430 nan 8.190 nan 0.000 0.443 596 K N 2.274 122.761 120.400 0.146 0.000 2.243 596 K HA 0.465 4.785 4.320 0.001 0.000 0.201 596 K C 0.848 177.530 176.600 0.138 0.000 1.051 596 K CA 1.248 57.608 56.287 0.122 0.000 0.970 596 K CB 0.334 32.899 32.500 0.109 0.000 0.755 596 K HN 0.675 nan 8.250 nan 0.000 0.465 597 A N 2.716 125.656 122.820 0.200 0.000 2.381 597 A HA 0.497 4.817 4.320 0.001 0.000 0.299 597 A C -2.703 175.039 177.584 0.264 0.000 1.049 597 A CA -1.521 50.626 52.037 0.183 0.000 0.715 597 A CB 1.569 20.657 19.000 0.147 0.000 1.222 597 A HN -0.155 nan 8.150 nan 0.000 0.428 598 P HA 0.293 nan 4.420 nan 0.000 0.274 598 P C -0.857 176.474 177.300 0.052 0.000 1.246 598 P CA 0.047 63.267 63.100 0.200 0.000 0.795 598 P CB 0.843 32.616 31.700 0.122 0.000 1.006 599 D N -0.815 119.564 120.400 -0.035 0.000 2.507 599 D HA 0.089 4.729 4.640 0.001 0.000 0.280 599 D C 1.076 177.252 176.300 -0.207 0.000 1.219 599 D CA -0.331 53.474 54.000 -0.324 0.000 1.085 599 D CB -1.100 39.320 40.800 -0.633 0.000 1.134 599 D HN 0.170 nan 8.370 nan 0.000 0.583 600 T N -1.086 113.283 114.554 -0.309 0.000 2.760 600 T HA -0.174 4.177 4.350 0.001 0.000 0.269 600 T C 0.906 175.342 174.700 -0.441 0.000 1.047 600 T CA 1.349 63.212 62.100 -0.395 0.000 1.139 600 T CB -0.398 68.134 68.868 -0.560 0.000 0.855 600 T HN 0.397 nan 8.240 nan 0.000 0.471 601 H N -0.861 118.190 119.070 -0.031 0.000 2.520 601 H HA 0.383 4.939 4.556 0.000 0.000 0.284 601 H C 1.789 177.140 175.328 0.037 0.000 1.037 601 H CA 0.447 56.503 56.048 0.013 0.000 1.168 601 H CB 0.264 30.047 29.762 0.034 0.000 1.497 601 H HN 0.485 nan 8.280 nan 0.000 0.547 602 G N 1.424 110.279 108.800 0.091 0.000 2.143 602 G HA2 -0.262 3.698 3.960 0.001 0.000 0.249 602 G HA3 -0.262 3.698 3.960 0.001 0.000 0.249 602 G C 0.057 175.044 174.900 0.145 0.000 0.981 602 G CA -0.041 45.117 45.100 0.097 0.000 0.665 602 G HN 0.297 nan 8.290 nan 0.000 0.528 603 N N -0.388 118.434 118.700 0.203 0.000 2.477 603 N HA 0.793 5.533 4.740 0.001 0.000 0.284 603 N C 0.422 176.173 175.510 0.402 0.000 1.182 603 N CA -0.362 52.848 53.050 0.267 0.000 0.949 603 N CB 0.823 39.487 38.487 0.295 0.000 1.204 603 N HN 0.057 nan 8.380 nan 0.000 0.526 604 M N -0.153 119.663 119.600 0.359 0.000 2.811 604 M HA 0.374 4.855 4.480 0.001 0.000 0.303 604 M C -0.498 176.018 176.300 0.361 0.000 1.227 604 M CA -0.648 54.869 55.300 0.361 0.000 0.874 604 M CB 1.414 34.128 32.600 0.190 0.000 1.681 604 M HN 0.489 nan 8.290 nan 0.000 0.500 605 W N 1.930 123.167 121.300 -0.105 0.000 2.424 605 W HA 0.648 5.308 4.660 0.001 0.000 0.318 605 W C -2.140 174.338 176.519 -0.068 0.000 1.016 605 W CA -0.560 56.741 57.345 -0.074 0.000 1.268 605 W CB 1.219 30.546 29.460 -0.222 0.000 1.297 605 W HN 0.275 nan 8.180 nan 0.000 0.428 606 V N 7.998 127.633 119.914 -0.466 0.000 2.385 606 V HA 0.207 4.327 4.120 0.001 0.000 0.277 606 V C -1.914 173.830 176.094 -0.584 0.000 1.012 606 V CA -1.348 60.699 62.300 -0.421 0.000 0.832 606 V CB 1.220 32.906 31.823 -0.228 0.000 1.028 606 V HN 0.427 nan 8.190 nan 0.000 0.436 607 P HA 0.662 nan 4.420 nan 0.000 0.274 607 P C 0.008 177.100 177.300 -0.347 0.000 1.231 607 P CA 0.258 63.026 63.100 -0.554 0.000 0.790 607 P CB 1.167 32.593 31.700 -0.457 0.000 0.951 608 S N 0.000 115.530 115.700 -0.283 0.000 2.498 608 S HA 0.000 4.470 4.470 0.001 0.000 0.327 608 S CA 0.000 58.081 58.200 -0.198 0.000 1.107 608 S CB 0.000 63.094 63.200 -0.177 0.000 0.593 608 S HN 0.000 nan 8.310 nan 0.000 0.517