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 2vr4_1_A DATA FIRST_RESID 28 DATA SEQUENCE NDTSEVMLLD TGWEFSQSGT EKWMPATVPG TVHQDLISHE LLPNPFYGMN DATA SEQUENCE EKKIQWVENE DWEYRTSFIV SEEQLNRDGI QLIFEGLDTY ADVYLNGSLL DATA SEQUENCE LKADNMFVGY TLPVKSVLRK GENHLYIYFH SPIRQTLPQY ASNGFNYPAD DATA SEQUENCE NDHHEKHLSV FSRKAPYSYG WDWGIRMVTS GVWRPVTLRF YDIATISDYY DATA SEQUENCE VRQLSLTDEN ARLSNELIVN QIVPQKIPAE VRVNVSLNGT TVTEVKQQVT DATA SEQUENCE LQPGINHITL PAEVTNPVRW MPNGWGTPTL YDFSAQIACG DRIVAEQSHR DATA SEQUENCE IGLRTIRVVN EKDKDGESFY FEVNGIPMFA KGANYIPQDA LLPNVTTERY DATA SEQUENCE QTLFRDMKEA NMNMVRIWGG GTYENNLFYD LADENGILVW QDFMFACTPY DATA SEQUENCE PSDPTFLKRV EAEAVYNIRR LRNHASLAMW CGNNEILEAL KYWGFEKKFT DATA SEQUENCE PEVYQGLMHG YDKLFRELLP STVKEFDSDR FYVHSSPYLA NWGRPESWGT DATA SEQUENCE GDSHNWGVWY GKKPFESLDT DLPRFMSEFG FQSFPEMKTI AAFAAPEDYQ DATA SEQUENCE IESEVMNAHQ KSSIGNSLIR TYMERDYIIP ESFEDFVYVG LVLQGQGMRH DATA SEQUENCE GLEAHRRNRP YCMGTLYWQL NDSWPVVSWS SIDYYGNWKA LHYQAKRAFA DATA SEQUENCE PVLINPIQQN DSLSVYLISD RLDTMEQMTL EMKVVDFDGK TLGKKIQVHS DATA SEQUENCE LEVPANTSKC VYRAKLDGWL TPEDCRRSFL KLILKDKSGH QVAESVHFFR DATA SEQUENCE KTKDLQLPPT SVSYQMKQTD GKCELTLFSS MLAKDIFIET PLQGARYSDN DATA SEQUENCE FFDLLPGERK KVIITSPRIK KGXELPVNIK HIRETYK 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 28 N HA 0.000 nan 4.740 nan 0.000 0.220 28 N C 0.000 175.509 175.510 -0.002 0.000 1.280 28 N CA 0.000 53.049 53.050 -0.002 0.000 0.885 28 N CB 0.000 38.484 38.487 -0.004 0.000 1.341 29 D N -2.297 118.107 120.400 0.006 0.000 2.838 29 D HA 0.141 4.784 4.640 0.005 0.000 0.334 29 D C 1.022 177.339 176.300 0.027 0.000 1.315 29 D CA -0.339 53.668 54.000 0.011 0.000 0.917 29 D CB -0.066 40.736 40.800 0.003 0.000 1.435 29 D HN -0.092 nan 8.370 nan 0.000 0.517 30 T N -2.555 112.022 114.554 0.039 0.000 3.148 30 T HA 0.159 4.512 4.350 0.005 0.000 0.253 30 T C 0.822 175.569 174.700 0.079 0.000 1.134 30 T CA 0.374 62.504 62.100 0.050 0.000 1.051 30 T CB -0.868 68.029 68.868 0.048 0.000 0.959 30 T HN 0.593 nan 8.240 nan 0.000 0.525 31 S N 0.861 116.619 115.700 0.096 0.000 2.584 31 S HA 0.229 4.702 4.470 0.005 0.000 0.270 31 S C -0.197 174.480 174.600 0.128 0.000 1.346 31 S CA -0.881 57.406 58.200 0.146 0.000 1.018 31 S CB 0.986 64.271 63.200 0.142 0.000 0.899 31 S HN 0.671 nan 8.310 nan 0.000 0.542 32 E N 1.184 121.497 120.200 0.188 0.000 2.176 32 E HA 0.525 4.878 4.350 0.005 0.000 0.267 32 E C -1.619 175.138 176.600 0.262 0.000 0.893 32 E CA -0.988 55.522 56.400 0.183 0.000 0.761 32 E CB 1.570 31.352 29.700 0.137 0.000 1.133 32 E HN 0.528 nan 8.360 nan 0.000 0.409 33 V N 5.936 125.948 119.914 0.163 0.000 2.370 33 V HA 0.335 4.458 4.120 0.005 0.000 0.283 33 V C 0.114 176.285 176.094 0.130 0.000 1.023 33 V CA -0.513 61.865 62.300 0.130 0.000 0.857 33 V CB 1.362 33.217 31.823 0.054 0.000 0.985 33 V HN 0.843 nan 8.190 nan 0.000 0.443 34 M N 5.516 125.207 119.600 0.153 0.000 2.129 34 M HA 0.481 4.964 4.480 0.005 0.000 0.348 34 M C -0.800 175.504 176.300 0.007 0.000 1.116 34 M CA -0.414 54.948 55.300 0.104 0.000 1.022 34 M CB 1.471 34.181 32.600 0.183 0.000 1.599 34 M HN 0.444 nan 8.290 nan 0.000 0.449 35 L N 5.110 126.342 121.223 0.015 0.000 2.281 35 L HA 0.289 4.632 4.340 0.005 0.000 0.285 35 L C -0.216 176.666 176.870 0.020 0.000 1.074 35 L CA -0.306 54.538 54.840 0.008 0.000 0.817 35 L CB 0.574 42.651 42.059 0.031 0.000 1.168 35 L HN 0.638 nan 8.230 nan 0.000 0.434 36 L N 4.647 125.881 121.223 0.018 0.000 2.466 36 L HA 0.126 4.469 4.340 0.005 0.000 0.248 36 L C 0.110 177.222 176.870 0.403 0.000 1.240 36 L CA -0.088 54.822 54.840 0.118 0.000 1.180 36 L CB -0.377 41.699 42.059 0.029 0.000 1.413 36 L HN 0.675 nan 8.230 nan 0.000 0.406 37 D N -1.126 119.457 120.400 0.304 0.000 2.535 37 D HA 0.065 4.708 4.640 0.005 0.000 0.229 37 D C 0.377 176.883 176.300 0.343 0.000 1.238 37 D CA -0.089 54.097 54.000 0.309 0.000 0.824 37 D CB 0.536 41.422 40.800 0.144 0.000 1.045 37 D HN 0.297 nan 8.370 nan 0.000 0.500 38 T N -4.989 109.783 114.554 0.363 0.000 2.894 38 T HA 0.530 4.883 4.350 0.005 0.000 0.309 38 T C 0.833 175.657 174.700 0.207 0.000 1.208 38 T CA -0.230 62.036 62.100 0.277 0.000 1.016 38 T CB 1.693 70.658 68.868 0.161 0.000 1.192 38 T HN 0.424 nan 8.240 nan 0.000 0.491 39 G N 0.196 109.113 108.800 0.194 0.000 2.159 39 G HA2 -0.210 3.753 3.960 0.005 0.000 0.256 39 G HA3 -0.210 3.753 3.960 0.005 0.000 0.256 39 G C -0.137 174.815 174.900 0.087 0.000 0.977 39 G CA -0.141 45.017 45.100 0.098 0.000 0.652 39 G HN 0.842 nan 8.290 nan 0.000 0.531 40 W N 1.163 122.567 121.300 0.173 0.000 2.190 40 W HA 0.601 5.264 4.660 0.005 0.000 0.330 40 W C 0.833 177.512 176.519 0.267 0.000 1.299 40 W CA -0.112 57.373 57.345 0.234 0.000 1.215 40 W CB 0.535 30.175 29.460 0.301 0.000 1.147 40 W HN 0.230 nan 8.180 nan 0.000 0.563 41 E N 2.153 122.668 120.200 0.525 0.000 2.336 41 E HA 0.617 4.970 4.350 0.005 0.000 0.267 41 E C -1.139 175.872 176.600 0.684 0.000 0.906 41 E CA -1.148 55.574 56.400 0.535 0.000 0.781 41 E CB 2.201 32.112 29.700 0.352 0.000 1.261 41 E HN 0.347 nan 8.360 nan 0.000 0.436 42 F N -1.167 118.963 119.950 0.300 0.000 2.640 42 F HA 0.833 5.363 4.527 0.005 0.000 0.324 42 F C -0.791 174.909 175.800 -0.167 0.000 1.077 42 F CA -0.850 57.104 58.000 -0.077 0.000 0.965 42 F CB 2.135 40.656 39.000 -0.798 0.000 1.351 42 F HN 0.360 nan 8.300 nan 0.000 0.487 43 S N 1.201 116.450 115.700 -0.753 0.000 2.566 43 S HA 0.206 4.679 4.470 0.005 0.000 0.273 43 S C -1.609 172.679 174.600 -0.521 0.000 1.157 43 S CA -0.700 56.878 58.200 -1.038 0.000 0.938 43 S CB 1.629 63.595 63.200 -2.056 0.000 1.087 43 S HN 1.027 nan 8.310 nan 0.000 0.474 44 Q N 3.002 122.515 119.800 -0.478 0.000 2.289 44 Q HA 0.228 4.571 4.340 0.005 0.000 0.273 44 Q C -0.462 175.156 176.000 -0.638 0.000 1.029 44 Q CA 0.139 55.429 55.803 -0.854 0.000 0.896 44 Q CB 0.425 28.729 28.738 -0.723 0.000 1.182 44 Q HN 0.702 nan 8.270 nan 0.000 0.385 45 S N 2.717 118.039 115.700 -0.630 0.000 2.546 45 S HA 0.269 4.742 4.470 0.005 0.000 0.290 45 S C 0.931 175.380 174.600 -0.252 0.000 1.290 45 S CA 0.551 58.533 58.200 -0.363 0.000 1.069 45 S CB 0.660 63.694 63.200 -0.276 0.000 0.846 45 S HN 0.998 nan 8.310 nan 0.000 0.495 46 G N 2.194 110.898 108.800 -0.161 0.000 2.194 46 G HA2 -0.300 3.663 3.960 0.005 0.000 0.236 46 G HA3 -0.300 3.663 3.960 0.005 0.000 0.236 46 G C 0.845 175.666 174.900 -0.132 0.000 0.987 46 G CA 0.637 45.671 45.100 -0.110 0.000 0.635 46 G HN 0.917 nan 8.290 nan 0.000 0.520 47 T N -1.815 112.616 114.554 -0.205 0.000 3.037 47 T HA 0.355 4.708 4.350 0.005 0.000 0.252 47 T C 1.211 175.813 174.700 -0.162 0.000 1.073 47 T CA 1.276 63.261 62.100 -0.191 0.000 1.091 47 T CB -0.197 68.525 68.868 -0.243 0.000 0.935 47 T HN 0.935 nan 8.240 nan 0.000 0.488 48 E N -0.285 119.807 120.200 -0.180 0.000 3.253 48 E HA -0.222 4.131 4.350 0.005 0.000 0.284 48 E C -0.070 176.483 176.600 -0.077 0.000 0.958 48 E CA 0.915 57.280 56.400 -0.058 0.000 0.917 48 E CB -1.239 28.487 29.700 0.043 0.000 1.466 48 E HN 0.518 nan 8.360 nan 0.000 0.455 49 K N 0.893 121.122 120.400 -0.284 0.000 2.263 49 K HA 0.373 4.695 4.320 0.005 0.000 0.272 49 K C -1.544 174.794 176.600 -0.437 0.000 1.033 49 K CA -0.390 55.765 56.287 -0.221 0.000 0.884 49 K CB 0.488 32.874 32.500 -0.189 0.000 1.107 49 K HN 0.094 nan 8.250 nan 0.000 0.460 50 W N 5.529 126.747 121.300 -0.137 0.000 2.689 50 W HA 0.588 5.251 4.660 0.005 0.000 0.340 50 W C -0.325 176.084 176.519 -0.184 0.000 1.060 50 W CA -0.743 56.501 57.345 -0.169 0.000 1.218 50 W CB 1.492 30.910 29.460 -0.070 0.000 1.410 50 W HN 0.274 nan 8.180 nan 0.000 0.528 51 M N 2.557 122.167 119.600 0.017 0.000 2.575 51 M HA 0.389 4.872 4.480 0.005 0.000 0.284 51 M C -2.693 173.778 176.300 0.286 0.000 1.253 51 M CA -2.202 53.090 55.300 -0.014 0.000 0.861 51 M CB 1.820 34.206 32.600 -0.356 0.000 1.733 51 M HN -0.048 nan 8.290 nan 0.000 0.462 52 P HA 0.175 nan 4.420 nan 0.000 0.265 52 P C -1.194 176.474 177.300 0.614 0.000 1.187 52 P CA 0.193 63.562 63.100 0.449 0.000 0.766 52 P CB 0.442 32.380 31.700 0.396 0.000 0.820 53 A N 2.452 125.573 122.820 0.502 0.000 2.430 53 A HA 0.774 5.097 4.320 0.005 0.000 0.300 53 A C -0.721 177.028 177.584 0.275 0.000 1.124 53 A CA -0.410 51.846 52.037 0.365 0.000 0.766 53 A CB 1.085 20.347 19.000 0.436 0.000 1.328 53 A HN 0.393 nan 8.150 nan 0.000 0.424 54 T N 0.907 115.532 114.554 0.117 0.000 2.786 54 T HA 0.578 4.931 4.350 0.005 0.000 0.283 54 T C -0.983 173.676 174.700 -0.068 0.000 0.992 54 T CA -0.252 61.880 62.100 0.054 0.000 0.954 54 T CB 0.980 69.854 68.868 0.010 0.000 0.934 54 T HN 0.551 nan 8.240 nan 0.000 0.440 55 V N 5.928 125.764 119.914 -0.130 0.000 2.577 55 V HA 0.416 4.539 4.120 0.005 0.000 0.303 55 V C -2.317 173.670 176.094 -0.179 0.000 1.042 55 V CA -2.154 59.933 62.300 -0.356 0.000 0.872 55 V CB 2.045 33.230 31.823 -1.063 0.000 0.998 55 V HN 0.665 nan 8.190 nan 0.000 0.423 56 P HA 0.488 nan 4.420 nan 0.000 0.269 56 P C 0.164 177.386 177.300 -0.129 0.000 1.209 56 P CA 0.430 63.436 63.100 -0.156 0.000 0.776 56 P CB 0.818 32.470 31.700 -0.080 0.000 0.876 57 G N 0.067 108.772 108.800 -0.159 0.000 2.427 57 G HA2 0.609 4.572 3.960 0.005 0.000 0.306 57 G HA3 0.609 4.572 3.960 0.005 0.000 0.306 57 G C -1.513 173.270 174.900 -0.196 0.000 1.280 57 G CA -0.394 44.618 45.100 -0.148 0.000 0.837 57 G HN 0.644 nan 8.290 nan 0.000 0.482 58 T N -2.710 111.715 114.554 -0.215 0.000 2.896 58 T HA 0.568 4.921 4.350 0.005 0.000 0.297 58 T C 0.969 175.473 174.700 -0.326 0.000 1.108 58 T CA 0.022 61.967 62.100 -0.260 0.000 1.004 58 T CB 1.587 70.352 68.868 -0.171 0.000 1.159 58 T HN 0.733 nan 8.240 nan 0.000 0.499 59 V N 0.971 120.637 119.914 -0.413 0.000 2.287 59 V HA -0.197 3.926 4.120 0.005 0.000 0.248 59 V C 2.466 178.168 176.094 -0.653 0.000 1.053 59 V CA 2.191 64.098 62.300 -0.654 0.000 1.027 59 V CB -1.202 29.997 31.823 -1.039 0.000 0.646 59 V HN 0.988 nan 8.190 nan 0.000 0.447 60 H N -0.518 118.243 119.070 -0.514 0.000 2.319 60 H HA -0.226 4.333 4.556 0.005 0.000 0.297 60 H C 2.321 177.472 175.328 -0.295 0.000 1.097 60 H CA 2.125 57.937 56.048 -0.394 0.000 1.285 60 H CB -0.248 29.311 29.762 -0.339 0.000 1.368 60 H HN 0.351 nan 8.280 nan 0.000 0.495 61 Q N 0.683 120.398 119.800 -0.141 0.000 2.124 61 Q HA -0.141 4.202 4.340 0.005 0.000 0.202 61 Q C 1.312 177.202 176.000 -0.182 0.000 0.977 61 Q CA 1.687 57.405 55.803 -0.141 0.000 0.850 61 Q CB -0.153 28.515 28.738 -0.117 0.000 0.901 61 Q HN 0.445 nan 8.270 nan 0.000 0.429 62 D N -0.615 119.597 120.400 -0.313 0.000 2.144 62 D HA -0.096 4.547 4.640 0.005 0.000 0.200 62 D C 1.830 178.058 176.300 -0.120 0.000 0.978 62 D CA 0.865 54.619 54.000 -0.410 0.000 0.833 62 D CB -0.019 40.135 40.800 -1.076 0.000 0.961 62 D HN 0.311 nan 8.370 nan 0.000 0.470 63 L N 0.334 121.497 121.223 -0.101 0.000 2.027 63 L HA -0.112 4.231 4.340 0.005 0.000 0.206 63 L C 2.544 179.484 176.870 0.117 0.000 1.074 63 L CA 0.690 55.619 54.840 0.147 0.000 0.745 63 L CB -0.340 41.742 42.059 0.038 0.000 0.898 63 L HN -0.029 nan 8.230 nan 0.000 0.433 64 I N 0.050 120.625 120.570 0.008 0.000 2.194 64 I HA -0.344 3.829 4.170 0.005 0.000 0.246 64 I C 2.745 178.859 176.117 -0.006 0.000 1.093 64 I CA 1.776 63.080 61.300 0.007 0.000 1.355 64 I CB -0.369 37.607 38.000 -0.040 0.000 1.046 64 I HN 0.364 nan 8.210 nan 0.000 0.413 65 S N -0.568 115.086 115.700 -0.076 0.000 2.469 65 S HA -0.185 4.288 4.470 0.005 0.000 0.238 65 S C 1.480 175.920 174.600 -0.266 0.000 0.998 65 S CA 1.042 59.134 58.200 -0.180 0.000 0.957 65 S CB -0.436 62.600 63.200 -0.273 0.000 0.764 65 S HN 0.493 nan 8.310 nan 0.000 0.514 66 H N 1.098 120.234 119.070 0.110 0.000 2.486 66 H HA 0.343 4.902 4.556 0.005 0.000 0.284 66 H C 0.066 175.461 175.328 0.111 0.000 1.103 66 H CA 0.136 56.261 56.048 0.129 0.000 1.089 66 H CB -0.175 29.698 29.762 0.185 0.000 1.603 66 H HN 0.568 nan 8.280 nan 0.000 0.557 67 E N 0.686 120.980 120.200 0.156 0.000 2.604 67 E HA -0.228 4.125 4.350 0.005 0.000 0.255 67 E C 0.578 177.273 176.600 0.159 0.000 1.164 67 E CA 0.203 56.681 56.400 0.129 0.000 0.737 67 E CB -1.363 28.399 29.700 0.104 0.000 1.317 67 E HN 0.497 nan 8.360 nan 0.000 0.417 68 L N -0.213 121.135 121.223 0.209 0.000 2.599 68 L HA 0.196 4.539 4.340 0.005 0.000 0.230 68 L C 0.849 177.886 176.870 0.279 0.000 1.141 68 L CA 0.528 55.513 54.840 0.242 0.000 0.877 68 L CB 0.147 42.386 42.059 0.300 0.000 1.009 68 L HN 0.118 nan 8.230 nan 0.000 0.447 69 L N -0.505 120.844 121.223 0.210 0.000 2.518 69 L HA 0.471 4.814 4.340 0.005 0.000 0.257 69 L C -2.471 174.484 176.870 0.143 0.000 0.980 69 L CA -1.621 53.343 54.840 0.207 0.000 0.837 69 L CB 3.091 45.235 42.059 0.142 0.000 1.410 69 L HN -0.226 nan 8.230 nan 0.000 0.410 70 P HA 0.105 nan 4.420 nan 0.000 0.278 70 P C -1.003 176.368 177.300 0.118 0.000 1.258 70 P CA -0.543 62.638 63.100 0.134 0.000 0.811 70 P CB 0.606 32.407 31.700 0.169 0.000 1.063 71 N N 2.623 121.397 118.700 0.123 0.000 2.418 71 N HA -0.029 4.714 4.740 0.005 0.000 0.277 71 N C -1.316 174.302 175.510 0.180 0.000 1.317 71 N CA -1.427 51.696 53.050 0.121 0.000 0.922 71 N CB -0.097 38.495 38.487 0.174 0.000 1.194 71 N HN 0.213 nan 8.380 nan 0.000 0.485 72 P HA -0.073 nan 4.420 nan 0.000 0.226 72 P C 0.714 178.250 177.300 0.393 0.000 1.153 72 P CA 0.888 64.061 63.100 0.122 0.000 0.777 72 P CB 0.048 31.720 31.700 -0.047 0.000 0.794 73 F N -1.875 118.253 119.950 0.296 0.000 2.569 73 F HA 0.129 4.659 4.527 0.005 0.000 0.295 73 F C 1.316 177.477 175.800 0.601 0.000 1.115 73 F CA -1.158 57.121 58.000 0.466 0.000 1.450 73 F CB -1.569 37.657 39.000 0.376 0.000 1.107 73 F HN -0.130 nan 8.300 nan 0.000 0.563 74 Y N 1.114 121.748 120.300 0.558 0.000 2.465 74 Y HA 0.404 4.957 4.550 0.005 0.000 0.331 74 Y C 1.309 177.486 175.900 0.462 0.000 1.102 74 Y CA 0.454 58.833 58.100 0.465 0.000 1.358 74 Y CB 0.226 38.872 38.460 0.310 0.000 1.213 74 Y HN 0.335 nan 8.280 nan 0.000 0.525 75 G N 5.126 113.849 108.800 -0.128 0.000 2.686 75 G HA2 -0.367 3.596 3.960 0.005 0.000 0.329 75 G HA3 -0.367 3.596 3.960 0.005 0.000 0.329 75 G C 0.537 175.634 174.900 0.327 0.000 1.187 75 G CA 1.043 46.127 45.100 -0.026 0.000 0.965 75 G HN 0.649 nan 8.290 nan 0.000 0.549 76 M N 1.508 121.270 119.600 0.269 0.000 2.747 76 M HA 0.239 4.722 4.480 0.005 0.000 0.402 76 M C 0.882 177.311 176.300 0.215 0.000 1.238 76 M CA -0.181 55.258 55.300 0.232 0.000 0.877 76 M CB 0.757 33.462 32.600 0.175 0.000 1.424 76 M HN 0.337 nan 8.290 nan 0.000 0.511 77 N N 1.395 120.253 118.700 0.264 0.000 2.609 77 N HA -0.138 4.605 4.740 0.005 0.000 0.190 77 N C 1.385 177.000 175.510 0.175 0.000 1.157 77 N CA 0.789 53.980 53.050 0.235 0.000 0.918 77 N CB -0.025 38.631 38.487 0.280 0.000 0.978 77 N HN 0.548 nan 8.380 nan 0.000 0.448 78 E N 1.204 121.488 120.200 0.140 0.000 2.051 78 E HA -0.137 4.216 4.350 0.005 0.000 0.192 78 E C 1.677 178.318 176.600 0.067 0.000 0.991 78 E CA 1.001 57.435 56.400 0.058 0.000 0.799 78 E CB 0.120 29.816 29.700 -0.007 0.000 0.748 78 E HN 0.155 nan 8.360 nan 0.000 0.449 79 K N 0.336 120.790 120.400 0.091 0.000 2.147 79 K HA -0.119 4.204 4.320 0.005 0.000 0.205 79 K C 1.753 178.442 176.600 0.148 0.000 1.049 79 K CA 1.135 57.482 56.287 0.101 0.000 0.936 79 K CB 0.097 32.652 32.500 0.092 0.000 0.722 79 K HN 0.037 nan 8.250 nan 0.000 0.446 80 K N 0.510 121.013 120.400 0.172 0.000 2.525 80 K HA -0.025 4.298 4.320 0.005 0.000 0.192 80 K C 1.643 178.441 176.600 0.330 0.000 1.029 80 K CA 0.668 57.097 56.287 0.237 0.000 1.029 80 K CB 0.118 32.744 32.500 0.211 0.000 0.814 80 K HN 0.358 nan 8.250 nan 0.000 0.503 81 I N -3.751 116.937 120.570 0.197 0.000 4.227 81 I HA 0.068 4.241 4.170 0.005 0.000 0.334 81 I C 1.356 177.398 176.117 -0.124 0.000 1.341 81 I CA -0.283 61.041 61.300 0.040 0.000 1.123 81 I CB 0.332 38.355 38.000 0.039 0.000 1.097 81 I HN -0.203 nan 8.210 nan 0.000 0.399 82 Q N 2.056 121.882 119.800 0.044 0.000 2.181 82 Q HA -0.164 4.178 4.340 0.005 0.000 0.205 82 Q C 1.927 177.965 176.000 0.063 0.000 0.980 82 Q CA 2.206 58.039 55.803 0.050 0.000 0.862 82 Q CB -0.613 28.190 28.738 0.108 0.000 0.905 82 Q HN 0.916 nan 8.270 nan 0.000 0.429 83 W N 0.373 121.734 121.300 0.103 0.000 2.331 83 W HA -0.170 4.493 4.660 0.005 0.000 0.291 83 W C 1.448 178.049 176.519 0.137 0.000 1.214 83 W CA 0.895 58.301 57.345 0.103 0.000 1.228 83 W CB -1.219 28.294 29.460 0.087 0.000 1.135 83 W HN -0.100 nan 8.180 nan 0.000 0.537 84 V N 2.801 122.349 119.914 -0.609 0.000 2.324 84 V HA -0.370 3.753 4.120 0.005 0.000 0.250 84 V C 2.732 178.849 176.094 0.039 0.000 1.060 84 V CA 2.883 64.859 62.300 -0.539 0.000 1.042 84 V CB -1.238 29.949 31.823 -1.060 0.000 0.650 84 V HN 0.389 nan 8.190 nan 0.000 0.450 85 E N 0.499 120.710 120.200 0.019 0.000 2.338 85 E HA -0.232 4.121 4.350 0.005 0.000 0.197 85 E C 1.514 178.198 176.600 0.139 0.000 1.007 85 E CA 1.788 58.239 56.400 0.085 0.000 0.849 85 E CB -0.490 29.228 29.700 0.031 0.000 0.774 85 E HN 0.788 nan 8.360 nan 0.000 0.506 86 N N 0.187 118.987 118.700 0.167 0.000 2.373 86 N HA 0.016 4.759 4.740 0.005 0.000 0.181 86 N C -0.196 175.388 175.510 0.123 0.000 1.082 86 N CA -0.035 53.108 53.050 0.154 0.000 0.885 86 N CB 0.394 38.981 38.487 0.167 0.000 0.977 86 N HN 0.093 nan 8.380 nan 0.000 0.462 87 E N 1.021 121.298 120.200 0.129 0.000 2.283 87 E HA 0.171 4.524 4.350 0.005 0.000 0.267 87 E C -0.706 175.763 176.600 -0.219 0.000 1.045 87 E CA -0.180 56.150 56.400 -0.116 0.000 0.884 87 E CB 0.856 30.350 29.700 -0.343 0.000 1.106 87 E HN 0.075 nan 8.360 nan 0.000 0.408 88 D N 0.371 120.550 120.400 -0.369 0.000 2.294 88 D HA 0.392 5.035 4.640 0.005 0.000 0.250 88 D C -0.563 175.288 176.300 -0.748 0.000 1.058 88 D CA -0.088 53.710 54.000 -0.335 0.000 0.950 88 D CB 0.629 41.300 40.800 -0.216 0.000 1.158 88 D HN 0.228 nan 8.370 nan 0.000 0.453 89 W N 0.268 121.483 121.300 -0.143 0.000 2.883 89 W HA 0.332 4.995 4.660 0.005 0.000 0.335 89 W C -0.156 176.381 176.519 0.030 0.000 1.083 89 W CA -0.730 56.594 57.345 -0.035 0.000 1.233 89 W CB 1.438 30.976 29.460 0.130 0.000 1.412 89 W HN 0.054 nan 8.180 nan 0.000 0.490 90 E N 2.059 122.374 120.200 0.191 0.000 2.199 90 E HA 0.479 4.832 4.350 0.005 0.000 0.269 90 E C -1.604 175.282 176.600 0.476 0.000 0.899 90 E CA -1.210 55.388 56.400 0.330 0.000 0.772 90 E CB 2.400 32.230 29.700 0.218 0.000 1.155 90 E HN 0.355 nan 8.360 nan 0.000 0.408 91 Y N 1.098 121.829 120.300 0.719 0.000 2.446 91 Y HA 0.439 4.992 4.550 0.005 0.000 0.345 91 Y C 0.099 176.376 175.900 0.628 0.000 0.984 91 Y CA -0.938 57.648 58.100 0.809 0.000 1.058 91 Y CB 2.026 40.973 38.460 0.812 0.000 1.220 91 Y HN 0.480 nan 8.280 nan 0.000 0.455 92 R N 0.506 121.312 120.500 0.509 0.000 2.740 92 R HA 0.875 5.218 4.340 0.005 0.000 0.273 92 R C -1.749 174.360 176.300 -0.318 0.000 0.998 92 R CA -0.808 55.161 56.100 -0.218 0.000 0.900 92 R CB 2.368 32.006 30.300 -1.103 0.000 1.223 92 R HN 0.607 nan 8.270 nan 0.000 0.466 93 T N 0.216 114.421 114.554 -0.580 0.000 2.868 93 T HA 0.525 4.878 4.350 0.005 0.000 0.306 93 T C -1.310 173.220 174.700 -0.282 0.000 1.224 93 T CA -0.471 61.272 62.100 -0.596 0.000 1.012 93 T CB 2.011 70.105 68.868 -1.290 0.000 1.221 93 T HN 0.608 nan 8.240 nan 0.000 0.499 94 S N 1.451 117.034 115.700 -0.194 0.000 2.568 94 S HA 0.951 5.424 4.470 0.005 0.000 0.293 94 S C -1.457 173.109 174.600 -0.056 0.000 1.089 94 S CA -0.661 57.402 58.200 -0.227 0.000 0.945 94 S CB 0.989 64.008 63.200 -0.301 0.000 1.077 94 S HN 0.660 nan 8.310 nan 0.000 0.485 95 F N -0.327 119.502 119.950 -0.201 0.000 2.668 95 F HA 0.704 5.234 4.527 0.005 0.000 0.309 95 F C -1.654 174.094 175.800 -0.086 0.000 1.117 95 F CA -1.329 56.603 58.000 -0.113 0.000 0.951 95 F CB 0.664 39.625 39.000 -0.065 0.000 1.323 95 F HN 0.230 nan 8.300 nan 0.000 0.451 96 I N 3.159 123.805 120.570 0.128 0.000 2.392 96 I HA 0.526 4.699 4.170 0.005 0.000 0.295 96 I C -0.430 175.766 176.117 0.133 0.000 0.985 96 I CA -0.999 60.320 61.300 0.033 0.000 1.221 96 I CB 1.442 39.450 38.000 0.013 0.000 1.366 96 I HN 0.524 nan 8.210 nan 0.000 0.467 97 V N 5.231 125.184 119.914 0.065 0.000 2.495 97 V HA 0.381 4.504 4.120 0.005 0.000 0.298 97 V C 0.376 176.471 176.094 0.002 0.000 1.031 97 V CA -0.624 61.729 62.300 0.089 0.000 0.871 97 V CB 2.025 33.968 31.823 0.200 0.000 0.988 97 V HN 0.928 nan 8.190 nan 0.000 0.432 98 S N 2.529 118.198 115.700 -0.052 0.000 2.632 98 S HA 0.278 4.750 4.470 0.005 0.000 0.271 98 S C 1.005 175.579 174.600 -0.043 0.000 1.260 98 S CA -0.096 58.069 58.200 -0.057 0.000 1.010 98 S CB 1.339 64.487 63.200 -0.087 0.000 0.965 98 S HN 0.845 nan 8.310 nan 0.000 0.534 99 E N 0.598 120.779 120.200 -0.031 0.000 2.118 99 E HA -0.227 4.126 4.350 0.005 0.000 0.195 99 E C 1.246 177.831 176.600 -0.026 0.000 0.992 99 E CA 1.652 58.041 56.400 -0.020 0.000 0.804 99 E CB -0.123 29.567 29.700 -0.017 0.000 0.741 99 E HN 0.801 nan 8.360 nan 0.000 0.458 100 E N 0.472 120.645 120.200 -0.045 0.000 2.107 100 E HA -0.157 4.196 4.350 0.005 0.000 0.191 100 E C 2.035 178.594 176.600 -0.067 0.000 0.982 100 E CA 1.022 57.391 56.400 -0.051 0.000 0.809 100 E CB -0.151 29.514 29.700 -0.058 0.000 0.756 100 E HN 0.336 nan 8.360 nan 0.000 0.459 101 Q N -0.193 119.532 119.800 -0.125 0.000 2.079 101 Q HA -0.064 4.279 4.340 0.005 0.000 0.200 101 Q C 1.911 177.939 176.000 0.046 0.000 0.974 101 Q CA 0.695 56.387 55.803 -0.184 0.000 0.840 101 Q CB -0.137 28.269 28.738 -0.554 0.000 0.898 101 Q HN 0.162 nan 8.270 nan 0.000 0.430 102 L N 1.374 122.629 121.223 0.053 0.000 2.261 102 L HA -0.151 4.192 4.340 0.005 0.000 0.216 102 L C 1.490 178.392 176.870 0.052 0.000 1.114 102 L CA 1.524 56.417 54.840 0.089 0.000 0.777 102 L CB -0.453 41.640 42.059 0.057 0.000 0.910 102 L HN 0.254 nan 8.230 nan 0.000 0.440 103 N N -0.803 117.912 118.700 0.024 0.000 2.336 103 N HA -0.023 4.720 4.740 0.005 0.000 0.189 103 N C 0.118 175.629 175.510 0.001 0.000 1.113 103 N CA -0.162 52.892 53.050 0.007 0.000 0.858 103 N CB 0.348 38.832 38.487 -0.004 0.000 0.970 103 N HN 0.183 nan 8.380 nan 0.000 0.471 104 R N 1.286 121.797 120.500 0.017 0.000 2.738 104 R HA 0.012 4.354 4.340 0.005 0.000 0.268 104 R C 0.804 177.055 176.300 -0.081 0.000 1.062 104 R CA -0.158 55.935 56.100 -0.012 0.000 1.158 104 R CB 0.254 30.578 30.300 0.041 0.000 1.046 104 R HN 0.098 nan 8.270 nan 0.000 0.493 105 D N 0.155 120.469 120.400 -0.144 0.000 2.144 105 D HA -0.037 4.606 4.640 0.005 0.000 0.199 105 D C 0.841 176.964 176.300 -0.295 0.000 0.984 105 D CA 1.492 55.386 54.000 -0.177 0.000 0.834 105 D CB 0.126 40.834 40.800 -0.153 0.000 0.955 105 D HN 0.632 nan 8.370 nan 0.000 0.465 106 G N -0.638 107.792 108.800 -0.617 0.000 2.667 106 G HA2 0.636 4.599 3.960 0.005 0.000 0.298 106 G HA3 0.636 4.599 3.960 0.005 0.000 0.298 106 G C -1.225 173.289 174.900 -0.645 0.000 1.377 106 G CA -0.579 44.052 45.100 -0.782 0.000 0.964 106 G HN 0.019 nan 8.290 nan 0.000 0.493 107 I N 0.493 120.920 120.570 -0.238 0.000 2.571 107 I HA 0.384 4.557 4.170 0.005 0.000 0.289 107 I C -0.724 175.365 176.117 -0.047 0.000 1.115 107 I CA -0.569 60.630 61.300 -0.170 0.000 1.045 107 I CB 2.585 40.467 38.000 -0.197 0.000 1.238 107 I HN 0.351 nan 8.210 nan 0.000 0.424 108 Q N 5.012 124.789 119.800 -0.039 0.000 2.321 108 Q HA 0.562 4.905 4.340 0.005 0.000 0.270 108 Q C -1.710 174.224 176.000 -0.110 0.000 1.032 108 Q CA -0.926 54.881 55.803 0.007 0.000 0.784 108 Q CB 3.035 31.819 28.738 0.077 0.000 1.264 108 Q HN 0.564 nan 8.270 nan 0.000 0.448 109 L N 5.003 126.178 121.223 -0.080 0.000 2.282 109 L HA 0.565 4.908 4.340 0.005 0.000 0.288 109 L C -1.582 175.203 176.870 -0.143 0.000 1.033 109 L CA -0.103 54.643 54.840 -0.157 0.000 0.807 109 L CB 1.143 43.136 42.059 -0.111 0.000 1.209 109 L HN 0.578 nan 8.230 nan 0.000 0.423 110 I N 5.687 126.108 120.570 -0.247 0.000 2.389 110 I HA 0.353 4.526 4.170 0.005 0.000 0.288 110 I C -1.018 174.925 176.117 -0.290 0.000 0.999 110 I CA -0.003 61.210 61.300 -0.146 0.000 1.129 110 I CB 1.370 39.319 38.000 -0.086 0.000 1.288 110 I HN 0.380 nan 8.210 nan 0.000 0.444 111 F N 4.870 124.863 119.950 0.072 0.000 2.334 111 F HA 0.338 4.868 4.527 0.005 0.000 0.367 111 F C 1.422 177.231 175.800 0.016 0.000 1.115 111 F CA -0.388 57.657 58.000 0.074 0.000 1.116 111 F CB 0.996 40.088 39.000 0.153 0.000 1.230 111 F HN 0.535 nan 8.300 nan 0.000 0.484 112 E N 2.130 122.371 120.200 0.067 0.000 2.338 112 E HA 0.109 4.462 4.350 0.005 0.000 0.197 112 E C 0.804 177.323 176.600 -0.135 0.000 1.007 112 E CA 0.375 56.754 56.400 -0.035 0.000 0.849 112 E CB 0.261 29.913 29.700 -0.081 0.000 0.774 112 E HN 0.724 nan 8.360 nan 0.000 0.506 113 G N 0.600 109.351 108.800 -0.081 0.000 2.682 113 G HA2 0.448 4.411 3.960 0.005 0.000 0.300 113 G HA3 0.448 4.411 3.960 0.005 0.000 0.300 113 G C -1.501 173.541 174.900 0.237 0.000 1.396 113 G CA -0.800 44.224 45.100 -0.127 0.000 1.104 113 G HN -0.037 nan 8.290 nan 0.000 0.587 114 L N 2.310 123.804 121.223 0.452 0.000 2.372 114 L HA 0.451 4.794 4.340 0.005 0.000 0.274 114 L C -1.187 175.911 176.870 0.379 0.000 0.988 114 L CA -0.898 54.198 54.840 0.426 0.000 0.833 114 L CB 2.434 44.602 42.059 0.181 0.000 1.236 114 L HN 0.486 nan 8.230 nan 0.000 0.410 115 D N 1.664 122.255 120.400 0.318 0.000 2.454 115 D HA 0.361 5.004 4.640 0.005 0.000 0.225 115 D C 0.139 176.528 176.300 0.148 0.000 1.081 115 D CA -0.031 53.970 54.000 0.002 0.000 0.864 115 D CB 1.467 42.096 40.800 -0.286 0.000 1.040 115 D HN 0.500 nan 8.370 nan 0.000 0.517 116 T N 2.285 116.945 114.554 0.177 0.000 3.408 116 T HA 0.061 4.414 4.350 0.005 0.000 0.273 116 T C -0.137 174.470 174.700 -0.155 0.000 0.983 116 T CA 0.077 62.119 62.100 -0.097 0.000 1.087 116 T CB -0.041 68.609 68.868 -0.364 0.000 1.170 116 T HN 0.232 nan 8.240 nan 0.000 0.456 117 Y N 2.751 123.179 120.300 0.214 0.000 2.627 117 Y HA 0.673 5.226 4.550 0.005 0.000 0.347 117 Y C 0.260 176.282 175.900 0.203 0.000 1.099 117 Y CA -1.129 57.088 58.100 0.194 0.000 1.408 117 Y CB 0.019 38.614 38.460 0.225 0.000 1.247 117 Y HN 0.185 nan 8.280 nan 0.000 0.506 118 A N 2.578 125.436 122.820 0.063 0.000 2.319 118 A HA 0.539 4.862 4.320 0.005 0.000 0.310 118 A C -0.978 176.482 177.584 -0.205 0.000 1.152 118 A CA -0.940 50.936 52.037 -0.268 0.000 0.783 118 A CB 0.537 19.165 19.000 -0.621 0.000 1.184 118 A HN 0.484 nan 8.150 nan 0.000 0.474 119 D N 2.338 122.669 120.400 -0.115 0.000 2.347 119 D HA 0.377 5.020 4.640 0.005 0.000 0.235 119 D C -0.324 175.758 176.300 -0.363 0.000 1.149 119 D CA 0.164 54.032 54.000 -0.221 0.000 0.850 119 D CB 1.602 42.359 40.800 -0.073 0.000 1.061 119 D HN 0.166 nan 8.370 nan 0.000 0.487 120 V N 3.736 123.370 119.914 -0.466 0.000 2.383 120 V HA 0.238 4.361 4.120 0.005 0.000 0.275 120 V C -0.561 175.313 176.094 -0.365 0.000 1.036 120 V CA -0.605 61.507 62.300 -0.313 0.000 0.889 120 V CB 0.043 31.684 31.823 -0.305 0.000 0.985 120 V HN 0.334 nan 8.190 nan 0.000 0.459 121 Y N 4.963 125.356 120.300 0.154 0.000 2.364 121 Y HA 0.708 5.261 4.550 0.005 0.000 0.340 121 Y C -0.287 175.743 175.900 0.217 0.000 0.975 121 Y CA -0.951 57.242 58.100 0.156 0.000 1.089 121 Y CB 1.906 40.447 38.460 0.134 0.000 1.192 121 Y HN 0.516 nan 8.280 nan 0.000 0.454 122 L N 4.672 126.087 121.223 0.321 0.000 2.372 122 L HA 0.530 4.873 4.340 0.005 0.000 0.274 122 L C -0.519 176.470 176.870 0.199 0.000 0.988 122 L CA -0.640 54.367 54.840 0.279 0.000 0.833 122 L CB 0.934 43.150 42.059 0.260 0.000 1.236 122 L HN 0.729 nan 8.230 nan 0.000 0.410 123 N N 4.301 123.101 118.700 0.168 0.000 2.725 123 N HA -0.201 4.542 4.740 0.005 0.000 0.251 123 N C 0.990 176.542 175.510 0.069 0.000 1.031 123 N CA 1.386 54.495 53.050 0.097 0.000 0.720 123 N CB -1.227 37.302 38.487 0.071 0.000 0.930 123 N HN 1.262 nan 8.380 nan 0.000 0.543 124 G N -1.818 107.018 108.800 0.059 0.000 2.184 124 G HA2 -0.316 3.647 3.960 0.005 0.000 0.264 124 G HA3 -0.316 3.647 3.960 0.005 0.000 0.264 124 G C 0.060 175.023 174.900 0.105 0.000 0.975 124 G CA 0.724 45.844 45.100 0.033 0.000 0.642 124 G HN 0.935 nan 8.290 nan 0.000 0.536 125 S N -0.199 115.594 115.700 0.155 0.000 2.442 125 S HA 0.623 5.096 4.470 0.005 0.000 0.297 125 S C 0.149 174.881 174.600 0.221 0.000 1.131 125 S CA -0.587 57.709 58.200 0.158 0.000 1.092 125 S CB 1.022 64.288 63.200 0.110 0.000 0.998 125 S HN 1.217 nan 8.310 nan 0.000 0.478 126 L N 7.141 128.479 121.223 0.192 0.000 2.407 126 L HA 0.343 4.686 4.340 0.005 0.000 0.282 126 L C 0.439 177.273 176.870 -0.061 0.000 1.110 126 L CA 0.456 55.281 54.840 -0.024 0.000 0.863 126 L CB -0.085 41.960 42.059 -0.023 0.000 1.207 126 L HN 0.848 nan 8.230 nan 0.000 0.454 127 L N 4.946 126.115 121.223 -0.091 0.000 2.307 127 L HA 0.213 4.556 4.340 0.005 0.000 0.211 127 L C -0.117 176.698 176.870 -0.092 0.000 1.099 127 L CA 0.196 55.015 54.840 -0.035 0.000 0.816 127 L CB -0.006 42.077 42.059 0.039 0.000 0.952 127 L HN 0.583 nan 8.230 nan 0.000 0.455 128 L N -0.523 120.584 121.223 -0.194 0.000 2.643 128 L HA 0.318 4.661 4.340 0.005 0.000 0.257 128 L C -1.511 175.176 176.870 -0.305 0.000 0.922 128 L CA -0.436 54.251 54.840 -0.254 0.000 0.909 128 L CB 1.672 43.524 42.059 -0.344 0.000 1.424 128 L HN -0.127 nan 8.230 nan 0.000 0.422 129 K N 4.245 124.499 120.400 -0.243 0.000 2.419 129 K HA 0.774 5.097 4.320 0.005 0.000 0.244 129 K C -0.397 176.078 176.600 -0.207 0.000 1.045 129 K CA -0.404 55.773 56.287 -0.184 0.000 1.004 129 K CB 1.456 33.901 32.500 -0.090 0.000 1.376 129 K HN 0.720 nan 8.250 nan 0.000 0.460 130 A N 2.281 124.916 122.820 -0.308 0.000 2.351 130 A HA 0.216 4.539 4.320 0.005 0.000 0.257 130 A C 0.186 177.717 177.584 -0.087 0.000 1.087 130 A CA -0.145 51.666 52.037 -0.377 0.000 0.798 130 A CB 0.240 18.952 19.000 -0.479 0.000 1.033 130 A HN 0.821 nan 8.150 nan 0.000 0.488 131 D N -0.452 119.948 120.400 -0.000 0.000 2.755 131 D HA 0.076 4.719 4.640 0.005 0.000 0.293 131 D C -0.790 175.432 176.300 -0.130 0.000 1.642 131 D CA -0.275 53.671 54.000 -0.089 0.000 0.825 131 D CB -0.511 40.347 40.800 0.097 0.000 1.303 131 D HN 0.272 nan 8.370 nan 0.000 0.434 132 N N 1.165 119.847 118.700 -0.030 0.000 2.599 132 N HA 0.135 4.878 4.740 0.005 0.000 0.283 132 N C 0.449 175.904 175.510 -0.092 0.000 1.160 132 N CA -0.305 52.700 53.050 -0.076 0.000 0.869 132 N CB 1.604 40.087 38.487 -0.006 0.000 1.448 132 N HN 0.066 nan 8.380 nan 0.000 0.535 133 M N 2.694 122.108 119.600 -0.310 0.000 2.260 133 M HA -0.068 4.415 4.480 0.005 0.000 0.261 133 M C -0.129 176.175 176.300 0.006 0.000 1.066 133 M CA 1.862 56.987 55.300 -0.292 0.000 1.082 133 M CB -0.028 32.099 32.600 -0.789 0.000 1.388 133 M HN 0.383 nan 8.290 nan 0.000 0.419 134 F N -0.352 119.721 119.950 0.204 0.000 2.732 134 F HA 0.274 4.804 4.527 0.005 0.000 0.303 134 F C 0.122 175.925 175.800 0.004 0.000 1.110 134 F CA -0.327 57.834 58.000 0.267 0.000 1.355 134 F CB -0.528 38.673 39.000 0.335 0.000 1.081 134 F HN -0.197 nan 8.300 nan 0.000 0.565 135 V N -0.155 119.670 119.914 -0.148 0.000 2.555 135 V HA 0.716 4.839 4.120 0.005 0.000 0.302 135 V C 0.543 175.968 176.094 -1.115 0.000 1.038 135 V CA -1.093 60.732 62.300 -0.792 0.000 0.887 135 V CB 1.436 32.816 31.823 -0.738 0.000 0.991 135 V HN 0.187 nan 8.190 nan 0.000 0.434 136 G N 2.739 110.461 108.800 -1.796 0.000 2.400 136 G HA2 0.560 4.523 3.960 0.005 0.000 0.301 136 G HA3 0.560 4.523 3.960 0.005 0.000 0.301 136 G C -1.503 172.958 174.900 -0.731 0.000 1.154 136 G CA -0.173 44.392 45.100 -0.892 0.000 0.852 136 G HN 0.515 nan 8.290 nan 0.000 0.511 137 Y N 0.056 120.311 120.300 -0.075 0.000 2.364 137 Y HA 0.473 5.026 4.550 0.005 0.000 0.340 137 Y C 0.589 176.532 175.900 0.072 0.000 0.975 137 Y CA -0.629 57.476 58.100 0.009 0.000 1.089 137 Y CB 2.590 41.087 38.460 0.062 0.000 1.192 137 Y HN 0.379 nan 8.280 nan 0.000 0.454 138 T N 5.533 120.199 114.554 0.187 0.000 2.770 138 T HA 0.614 4.967 4.350 0.005 0.000 0.283 138 T C -0.676 174.099 174.700 0.125 0.000 0.988 138 T CA -0.607 61.564 62.100 0.119 0.000 0.957 138 T CB 0.223 69.129 68.868 0.063 0.000 0.930 138 T HN 0.374 nan 8.240 nan 0.000 0.443 139 L N 6.047 127.339 121.223 0.114 0.000 2.349 139 L HA 0.464 4.806 4.340 0.005 0.000 0.278 139 L C -2.304 174.613 176.870 0.079 0.000 0.996 139 L CA -2.425 52.482 54.840 0.111 0.000 0.825 139 L CB 2.199 44.351 42.059 0.155 0.000 1.243 139 L HN 0.338 nan 8.230 nan 0.000 0.412 140 P HA 0.090 nan 4.420 nan 0.000 0.282 140 P C 0.223 177.559 177.300 0.060 0.000 1.262 140 P CA -0.159 62.983 63.100 0.070 0.000 0.773 140 P CB 1.680 33.423 31.700 0.071 0.000 0.879 141 V N 0.785 120.727 119.914 0.046 0.000 3.382 141 V HA 0.164 4.287 4.120 0.005 0.000 0.296 141 V C 1.970 178.095 176.094 0.052 0.000 1.529 141 V CA 0.207 62.542 62.300 0.059 0.000 1.048 141 V CB -0.441 31.429 31.823 0.078 0.000 0.878 141 V HN 0.356 nan 8.190 nan 0.000 0.442 142 K N 2.706 123.123 120.400 0.028 0.000 2.074 142 K HA -0.228 4.095 4.320 0.005 0.000 0.209 142 K C 2.148 178.774 176.600 0.042 0.000 1.048 142 K CA 2.426 58.731 56.287 0.031 0.000 0.926 142 K CB -0.247 32.251 32.500 -0.003 0.000 0.713 142 K HN 0.735 nan 8.250 nan 0.000 0.444 143 S N -0.592 115.130 115.700 0.037 0.000 2.515 143 S HA -0.024 4.448 4.470 0.005 0.000 0.231 143 S C 1.587 176.213 174.600 0.044 0.000 0.987 143 S CA 0.779 59.001 58.200 0.036 0.000 0.936 143 S CB 0.461 63.679 63.200 0.031 0.000 0.766 143 S HN 0.164 nan 8.310 nan 0.000 0.528 144 V N 0.696 120.644 119.914 0.057 0.000 3.621 144 V HA 0.386 4.509 4.120 0.005 0.000 0.263 144 V C 0.820 176.955 176.094 0.068 0.000 1.272 144 V CA 0.045 62.384 62.300 0.065 0.000 1.080 144 V CB -0.131 31.740 31.823 0.081 0.000 0.816 144 V HN 0.430 nan 8.190 nan 0.000 0.451 145 L N 0.702 121.971 121.223 0.077 0.000 2.453 145 L HA 0.410 4.753 4.340 0.005 0.000 0.261 145 L C 0.308 177.205 176.870 0.046 0.000 1.179 145 L CA 0.152 55.040 54.840 0.080 0.000 0.813 145 L CB 0.589 42.731 42.059 0.139 0.000 1.110 145 L HN 0.188 nan 8.230 nan 0.000 0.466 146 R N 0.817 121.325 120.500 0.014 0.000 2.795 146 R HA 0.352 4.695 4.340 0.005 0.000 0.275 146 R C -0.985 175.310 176.300 -0.008 0.000 0.981 146 R CA -1.079 55.021 56.100 0.000 0.000 0.917 146 R CB 2.166 32.457 30.300 -0.015 0.000 1.202 146 R HN 0.399 nan 8.270 nan 0.000 0.469 147 K N 1.163 121.561 120.400 -0.003 0.000 2.401 147 K HA 0.254 4.577 4.320 0.005 0.000 0.278 147 K C 0.439 177.023 176.600 -0.028 0.000 1.018 147 K CA 1.190 57.473 56.287 -0.008 0.000 0.981 147 K CB 0.456 32.953 32.500 -0.005 0.000 0.933 147 K HN 0.730 nan 8.250 nan 0.000 0.477 148 G N 2.931 111.711 108.800 -0.035 0.000 2.496 148 G HA2 -0.304 3.659 3.960 0.005 0.000 0.243 148 G HA3 -0.304 3.659 3.960 0.005 0.000 0.243 148 G C -0.653 174.184 174.900 -0.106 0.000 1.176 148 G CA 0.124 45.192 45.100 -0.053 0.000 0.940 148 G HN 0.772 nan 8.290 nan 0.000 0.573 149 E N 1.004 121.125 120.200 -0.133 0.000 2.338 149 E HA 0.497 4.850 4.350 0.005 0.000 0.272 149 E C -0.082 176.293 176.600 -0.376 0.000 1.029 149 E CA -0.400 55.846 56.400 -0.257 0.000 0.872 149 E CB 0.274 29.852 29.700 -0.204 0.000 1.015 149 E HN 0.474 nan 8.360 nan 0.000 0.417 150 N N 2.421 120.715 118.700 -0.676 0.000 2.225 150 N HA 0.256 4.999 4.740 0.005 0.000 0.298 150 N C -1.479 173.516 175.510 -0.860 0.000 1.076 150 N CA -0.656 51.950 53.050 -0.740 0.000 0.792 150 N CB 1.393 39.220 38.487 -1.100 0.000 1.498 150 N HN 0.503 nan 8.380 nan 0.000 0.474 151 H N 1.653 120.598 119.070 -0.209 0.000 2.646 151 H HA 0.266 4.825 4.556 0.005 0.000 0.328 151 H C -0.748 174.702 175.328 0.203 0.000 0.998 151 H CA -0.562 55.500 56.048 0.024 0.000 1.225 151 H CB 2.229 32.088 29.762 0.161 0.000 1.457 151 H HN 0.317 nan 8.280 nan 0.000 0.505 152 L N 4.834 126.241 121.223 0.307 0.000 2.272 152 L HA 0.343 4.686 4.340 0.005 0.000 0.289 152 L C -1.451 175.654 176.870 0.393 0.000 1.032 152 L CA -0.377 54.699 54.840 0.393 0.000 0.810 152 L CB 0.287 42.570 42.059 0.373 0.000 1.205 152 L HN 0.438 nan 8.230 nan 0.000 0.422 153 Y N 5.197 125.694 120.300 0.329 0.000 2.446 153 Y HA 0.665 5.218 4.550 0.005 0.000 0.345 153 Y C -0.308 175.866 175.900 0.456 0.000 0.984 153 Y CA -0.856 57.477 58.100 0.388 0.000 1.058 153 Y CB 2.025 40.680 38.460 0.325 0.000 1.220 153 Y HN 0.387 nan 8.280 nan 0.000 0.455 154 I N 3.262 124.195 120.570 0.606 0.000 2.499 154 I HA 0.220 4.393 4.170 0.005 0.000 0.288 154 I C -1.509 174.829 176.117 0.368 0.000 1.048 154 I CA -0.923 60.600 61.300 0.373 0.000 1.062 154 I CB 2.020 40.142 38.000 0.204 0.000 1.238 154 I HN 0.556 nan 8.210 nan 0.000 0.426 155 Y N 6.354 126.697 120.300 0.071 0.000 2.369 155 Y HA 0.506 5.059 4.550 0.005 0.000 0.337 155 Y C -1.131 174.661 175.900 -0.180 0.000 0.961 155 Y CA -0.578 57.562 58.100 0.067 0.000 1.186 155 Y CB 0.867 39.386 38.460 0.098 0.000 1.139 155 Y HN 0.357 nan 8.280 nan 0.000 0.494 156 F N 5.449 125.406 119.950 0.012 0.000 2.350 156 F HA 0.270 4.800 4.527 0.005 0.000 0.365 156 F C 0.384 176.226 175.800 0.070 0.000 1.122 156 F CA -0.653 57.427 58.000 0.132 0.000 1.139 156 F CB 0.280 39.406 39.000 0.210 0.000 1.220 156 F HN 0.450 nan 8.300 nan 0.000 0.499 157 H N 1.143 120.494 119.070 0.469 0.000 2.848 157 H HA -0.015 4.543 4.556 0.005 0.000 0.341 157 H C 0.535 176.070 175.328 0.345 0.000 1.060 157 H CA -0.167 56.117 56.048 0.394 0.000 1.444 157 H CB 1.279 31.221 29.762 0.299 0.000 1.446 157 H HN 0.501 nan 8.280 nan 0.000 0.583 158 S N 4.511 120.422 115.700 0.353 0.000 2.596 158 S HA -0.025 4.448 4.470 0.005 0.000 0.298 158 S C -1.212 173.548 174.600 0.267 0.000 1.255 158 S CA -1.226 57.141 58.200 0.278 0.000 1.083 158 S CB 0.478 63.792 63.200 0.191 0.000 0.837 158 S HN 0.515 nan 8.310 nan 0.000 0.499 159 P HA -0.063 nan 4.420 nan 0.000 0.226 159 P C 1.360 178.794 177.300 0.223 0.000 1.153 159 P CA 0.581 63.899 63.100 0.363 0.000 0.777 159 P CB 0.001 31.915 31.700 0.358 0.000 0.794 160 I N 0.112 120.770 120.570 0.147 0.000 2.206 160 I HA -0.088 4.085 4.170 0.005 0.000 0.239 160 I C 2.763 178.908 176.117 0.048 0.000 1.078 160 I CA 1.037 62.385 61.300 0.081 0.000 1.367 160 I CB -1.425 36.597 38.000 0.037 0.000 1.078 160 I HN -0.007 nan 8.210 nan 0.000 0.413 161 R N 0.952 121.490 120.500 0.064 0.000 2.103 161 R HA -0.263 4.080 4.340 0.005 0.000 0.242 161 R C 2.243 178.540 176.300 -0.005 0.000 1.142 161 R CA 1.959 58.088 56.100 0.048 0.000 0.960 161 R CB -0.204 30.148 30.300 0.086 0.000 0.858 161 R HN 0.304 nan 8.270 nan 0.000 0.439 162 Q N -0.012 119.764 119.800 -0.040 0.000 2.170 162 Q HA -0.107 4.235 4.340 0.005 0.000 0.203 162 Q C 1.481 177.343 176.000 -0.230 0.000 0.976 162 Q CA 2.379 58.049 55.803 -0.222 0.000 0.858 162 Q CB -0.003 28.425 28.738 -0.516 0.000 0.907 162 Q HN 0.520 nan 8.270 nan 0.000 0.433 163 T N -3.541 110.940 114.554 -0.121 0.000 3.010 163 T HA 0.226 4.579 4.350 0.005 0.000 0.257 163 T C 1.592 176.241 174.700 -0.086 0.000 1.020 163 T CA -0.128 61.909 62.100 -0.104 0.000 0.938 163 T CB -0.096 68.804 68.868 0.053 0.000 1.049 163 T HN 0.180 nan 8.240 nan 0.000 0.522 164 L N 1.542 122.744 121.223 -0.035 0.000 2.013 164 L HA -0.018 4.325 4.340 0.005 0.000 0.212 164 L C -0.208 176.667 176.870 0.009 0.000 1.073 164 L CA 1.671 56.522 54.840 0.018 0.000 0.753 164 L CB -1.409 40.667 42.059 0.028 0.000 0.890 164 L HN 0.261 nan 8.230 nan 0.000 0.432 165 P HA -0.198 nan 4.420 nan 0.000 0.219 165 P C 1.442 178.654 177.300 -0.146 0.000 1.150 165 P CA 1.299 64.352 63.100 -0.078 0.000 0.814 165 P CB 0.024 31.675 31.700 -0.081 0.000 0.787 166 Q N -0.998 118.663 119.800 -0.232 0.000 2.084 166 Q HA -0.216 4.127 4.340 0.005 0.000 0.202 166 Q C 2.317 177.986 176.000 -0.553 0.000 0.978 166 Q CA 1.339 56.894 55.803 -0.414 0.000 0.844 166 Q CB -0.612 27.786 28.738 -0.566 0.000 0.898 166 Q HN 0.144 nan 8.270 nan 0.000 0.426 167 Y N 0.110 120.048 120.300 -0.603 0.000 2.200 167 Y HA -0.147 4.406 4.550 0.005 0.000 0.290 167 Y C 1.965 177.761 175.900 -0.175 0.000 1.137 167 Y CA 1.479 59.361 58.100 -0.363 0.000 1.163 167 Y CB -0.529 37.866 38.460 -0.108 0.000 0.988 167 Y HN 0.192 nan 8.280 nan 0.000 0.518 168 A N -0.174 122.529 122.820 -0.195 0.000 1.933 168 A HA -0.208 4.115 4.320 0.005 0.000 0.218 168 A C 2.414 179.853 177.584 -0.242 0.000 1.175 168 A CA 2.152 54.060 52.037 -0.215 0.000 0.628 168 A CB -1.330 17.636 19.000 -0.058 0.000 0.814 168 A HN 0.609 nan 8.150 nan 0.000 0.444 169 S N -0.432 115.137 115.700 -0.218 0.000 2.522 169 S HA -0.096 4.377 4.470 0.005 0.000 0.227 169 S C 1.541 176.025 174.600 -0.193 0.000 0.986 169 S CA 1.161 59.258 58.200 -0.172 0.000 0.929 169 S CB -0.529 62.586 63.200 -0.141 0.000 0.769 169 S HN 0.574 nan 8.310 nan 0.000 0.529 170 N N 1.552 120.076 118.700 -0.294 0.000 2.300 170 N HA 0.121 4.864 4.740 0.005 0.000 0.179 170 N C 1.403 176.737 175.510 -0.293 0.000 1.016 170 N CA 1.191 54.055 53.050 -0.309 0.000 0.876 170 N CB -0.533 37.753 38.487 -0.335 0.000 0.979 170 N HN 0.590 nan 8.380 nan 0.000 0.432 171 G N -0.914 107.724 108.800 -0.270 0.000 2.166 171 G HA2 -0.260 3.703 3.960 0.005 0.000 0.260 171 G HA3 -0.260 3.703 3.960 0.005 0.000 0.260 171 G C -0.023 174.904 174.900 0.044 0.000 0.986 171 G CA 1.078 46.114 45.100 -0.107 0.000 0.683 171 G HN 0.593 nan 8.290 nan 0.000 0.527 172 F N -2.162 117.719 119.950 -0.115 0.000 2.693 172 F HA 0.742 5.272 4.527 0.005 0.000 0.309 172 F C -1.153 174.675 175.800 0.046 0.000 1.129 172 F CA -2.070 55.917 58.000 -0.022 0.000 0.948 172 F CB 0.857 39.865 39.000 0.014 0.000 1.315 172 F HN -0.004 nan 8.300 nan 0.000 0.447 173 N N 1.456 120.408 118.700 0.419 0.000 2.424 173 N HA 0.324 5.067 4.740 0.005 0.000 0.271 173 N C -1.566 174.254 175.510 0.518 0.000 0.985 173 N CA -0.512 52.816 53.050 0.463 0.000 0.921 173 N CB 0.625 39.323 38.487 0.350 0.000 1.149 173 N HN 0.655 nan 8.380 nan 0.000 0.492 174 Y N 3.061 123.563 120.300 0.336 0.000 2.497 174 Y HA 0.152 4.705 4.550 0.005 0.000 0.334 174 Y C -1.193 174.872 175.900 0.275 0.000 1.199 174 Y CA -1.174 57.059 58.100 0.223 0.000 1.425 174 Y CB 0.758 39.165 38.460 -0.087 0.000 1.291 174 Y HN 0.489 nan 8.280 nan 0.000 0.562 175 P HA 0.103 nan 4.420 nan 0.000 0.225 175 P C -0.839 176.492 177.300 0.052 0.000 1.768 175 P CA 0.083 63.287 63.100 0.174 0.000 0.943 175 P CB -0.427 31.198 31.700 -0.126 0.000 1.936 176 A N 1.480 124.213 122.820 -0.145 0.000 2.923 176 A HA 0.174 4.497 4.320 0.005 0.000 0.306 176 A C 1.201 178.389 177.584 -0.660 0.000 1.542 176 A CA -0.389 51.433 52.037 -0.359 0.000 1.225 176 A CB -0.345 18.435 19.000 -0.366 0.000 1.147 176 A HN 0.090 nan 8.150 nan 0.000 0.542 177 D N 1.029 121.225 120.400 -0.339 0.000 2.221 177 D HA -0.155 4.488 4.640 0.005 0.000 0.204 177 D C 1.013 177.135 176.300 -0.296 0.000 0.982 177 D CA 1.188 55.033 54.000 -0.257 0.000 0.857 177 D CB 0.121 40.831 40.800 -0.150 0.000 0.934 177 D HN 0.571 nan 8.370 nan 0.000 0.475 178 N N 0.976 119.365 118.700 -0.518 0.000 2.515 178 N HA -0.085 4.658 4.740 0.005 0.000 0.185 178 N C 0.151 175.311 175.510 -0.584 0.000 1.109 178 N CA 0.314 52.925 53.050 -0.732 0.000 0.903 178 N CB 0.255 37.694 38.487 -1.747 0.000 0.969 178 N HN 0.148 nan 8.380 nan 0.000 0.450 179 D N 0.771 120.951 120.400 -0.368 0.000 2.365 179 D HA 0.032 4.675 4.640 0.005 0.000 0.237 179 D C -0.439 175.919 176.300 0.097 0.000 1.190 179 D CA -0.230 53.673 54.000 -0.162 0.000 0.867 179 D CB -0.039 40.639 40.800 -0.202 0.000 1.050 179 D HN 0.236 nan 8.370 nan 0.000 0.491 180 H N 4.263 123.391 119.070 0.096 0.000 2.799 180 H HA 0.162 4.721 4.556 0.005 0.000 0.225 180 H C -0.022 175.417 175.328 0.185 0.000 1.904 180 H CA -0.264 55.841 56.048 0.094 0.000 1.344 180 H CB 0.117 29.892 29.762 0.021 0.000 1.744 180 H HN 0.329 nan 8.280 nan 0.000 0.542 181 H N 0.313 119.520 119.070 0.228 0.000 3.042 181 H HA 0.009 4.568 4.556 0.005 0.000 0.346 181 H C 0.233 175.608 175.328 0.079 0.000 1.294 181 H CA -0.565 55.565 56.048 0.136 0.000 1.141 181 H CB 1.606 31.447 29.762 0.132 0.000 1.872 181 H HN 0.347 nan 8.280 nan 0.000 0.541 182 E N 1.728 121.866 120.200 -0.104 0.000 2.085 182 E HA -0.083 4.270 4.350 0.005 0.000 0.194 182 E C -0.097 176.439 176.600 -0.108 0.000 0.994 182 E CA 1.303 57.653 56.400 -0.083 0.000 0.801 182 E CB 0.110 29.726 29.700 -0.140 0.000 0.743 182 E HN 0.303 nan 8.360 nan 0.000 0.453 183 K N 0.637 121.132 120.400 0.157 0.000 2.240 183 K HA 0.272 4.595 4.320 0.005 0.000 0.271 183 K C -0.817 175.693 176.600 -0.150 0.000 1.018 183 K CA -0.199 55.922 56.287 -0.278 0.000 0.874 183 K CB 0.972 33.166 32.500 -0.510 0.000 1.098 183 K HN 0.191 nan 8.250 nan 0.000 0.458 184 H N 3.729 122.746 119.070 -0.089 0.000 2.820 184 H HA 0.090 4.649 4.556 0.005 0.000 0.248 184 H C 0.755 176.026 175.328 -0.095 0.000 1.714 184 H CA -0.367 55.649 56.048 -0.053 0.000 1.334 184 H CB 0.130 29.899 29.762 0.012 0.000 1.693 184 H HN 0.386 nan 8.280 nan 0.000 0.548 185 L N 0.944 122.164 121.223 -0.006 0.000 2.418 185 L HA -0.090 4.253 4.340 0.005 0.000 0.218 185 L C 2.371 179.191 176.870 -0.083 0.000 1.125 185 L CA 0.396 55.301 54.840 0.110 0.000 0.835 185 L CB -0.144 41.968 42.059 0.088 0.000 0.953 185 L HN 0.563 nan 8.230 nan 0.000 0.454 186 S N 0.446 115.821 115.700 -0.541 0.000 2.383 186 S HA -0.181 4.292 4.470 0.005 0.000 0.229 186 S C 1.936 176.305 174.600 -0.385 0.000 1.030 186 S CA 1.371 58.994 58.200 -0.962 0.000 1.002 186 S CB -1.122 61.345 63.200 -1.222 0.000 0.829 186 S HN 0.357 nan 8.310 nan 0.000 0.467 187 V N -1.958 117.658 119.914 -0.498 0.000 2.759 187 V HA 0.056 4.179 4.120 0.005 0.000 0.256 187 V C 1.961 177.768 176.094 -0.478 0.000 1.080 187 V CA 1.148 63.068 62.300 -0.634 0.000 1.101 187 V CB -1.521 29.546 31.823 -1.260 0.000 0.698 187 V HN 0.379 nan 8.190 nan 0.000 0.477 188 F N 1.166 121.071 119.950 -0.074 0.000 2.615 188 F HA 0.287 4.817 4.527 0.005 0.000 0.297 188 F C 1.357 177.346 175.800 0.316 0.000 1.124 188 F CA 0.288 58.319 58.000 0.051 0.000 1.451 188 F CB -0.292 38.734 39.000 0.043 0.000 1.103 188 F HN 0.093 nan 8.300 nan 0.000 0.569 189 S N 0.713 116.674 115.700 0.435 0.000 2.473 189 S HA 0.415 4.888 4.470 0.005 0.000 0.307 189 S C 0.022 174.803 174.600 0.302 0.000 1.094 189 S CA -0.881 57.566 58.200 0.413 0.000 1.070 189 S CB 1.320 64.778 63.200 0.430 0.000 1.019 189 S HN -0.064 nan 8.310 nan 0.000 0.480 190 R N 3.096 123.705 120.500 0.182 0.000 2.878 190 R HA 0.263 4.606 4.340 0.005 0.000 0.239 190 R C -0.061 176.077 176.300 -0.270 0.000 1.515 190 R CA 0.049 56.197 56.100 0.082 0.000 1.210 190 R CB -1.111 29.232 30.300 0.071 0.000 1.209 190 R HN 0.562 nan 8.270 nan 0.000 0.610 191 K N -0.333 119.974 120.400 -0.155 0.000 2.546 191 K HA 0.455 4.778 4.320 0.005 0.000 0.264 191 K C -1.077 175.542 176.600 0.031 0.000 0.937 191 K CA -0.691 55.414 56.287 -0.304 0.000 0.833 191 K CB 2.009 34.486 32.500 -0.039 0.000 1.378 191 K HN 0.325 nan 8.250 nan 0.000 0.432 192 A N 4.778 127.594 122.820 -0.005 0.000 2.563 192 A HA 0.114 4.437 4.320 0.005 0.000 0.256 192 A C -1.970 175.800 177.584 0.311 0.000 1.056 192 A CA -0.638 51.577 52.037 0.297 0.000 0.775 192 A CB -0.326 18.843 19.000 0.281 0.000 0.973 192 A HN 0.628 nan 8.150 nan 0.000 0.516 193 P HA -0.222 nan 4.420 nan 0.000 0.215 193 P C 1.321 178.861 177.300 0.399 0.000 1.153 193 P CA 1.960 65.244 63.100 0.308 0.000 0.853 193 P CB -0.170 31.628 31.700 0.164 0.000 0.788 194 Y N -0.178 120.194 120.300 0.121 0.000 2.384 194 Y HA -0.161 4.392 4.550 0.005 0.000 0.289 194 Y C 2.045 178.011 175.900 0.109 0.000 1.152 194 Y CA 1.121 59.311 58.100 0.150 0.000 1.258 194 Y CB -1.474 37.093 38.460 0.179 0.000 0.979 194 Y HN -0.026 nan 8.280 nan 0.000 0.549 195 S N -0.616 114.754 115.700 -0.550 0.000 2.447 195 S HA -0.220 4.252 4.470 0.005 0.000 0.233 195 S C 1.214 175.539 174.600 -0.458 0.000 1.006 195 S CA 0.902 58.660 58.200 -0.736 0.000 0.957 195 S CB -1.186 61.626 63.200 -0.647 0.000 0.773 195 S HN 0.680 nan 8.310 nan 0.000 0.507 196 Y N 2.518 122.688 120.300 -0.217 0.000 2.490 196 Y HA 0.429 4.982 4.550 0.005 0.000 0.281 196 Y C 1.487 177.249 175.900 -0.229 0.000 1.174 196 Y CA 0.191 58.200 58.100 -0.151 0.000 1.295 196 Y CB -0.125 38.294 38.460 -0.069 0.000 1.062 196 Y HN 0.588 nan 8.280 nan 0.000 0.522 197 G N -0.946 107.756 108.800 -0.164 0.000 2.484 197 G HA2 -0.021 3.942 3.960 0.005 0.000 0.685 197 G HA3 -0.021 3.942 3.960 0.005 0.000 0.685 197 G C -1.446 173.272 174.900 -0.304 0.000 1.294 197 G CA -0.887 43.965 45.100 -0.414 0.000 0.879 197 G HN 0.144 nan 8.290 nan 0.000 0.646 198 W N 0.054 120.981 121.300 -0.622 0.000 2.826 198 W HA 0.340 5.002 4.660 0.005 0.000 0.410 198 W C 0.038 176.308 176.519 -0.416 0.000 1.128 198 W CA 0.356 57.327 57.345 -0.623 0.000 1.176 198 W CB 1.196 30.034 29.460 -1.037 0.000 1.475 198 W HN 0.807 nan 8.180 nan 0.000 0.588 199 D N -0.528 119.599 120.400 -0.455 0.000 2.363 199 D HA -0.089 4.554 4.640 0.005 0.000 0.226 199 D C 0.925 177.382 176.300 0.263 0.000 1.020 199 D CA 0.752 54.723 54.000 -0.048 0.000 0.892 199 D CB -0.534 40.265 40.800 -0.001 0.000 0.900 199 D HN 0.411 nan 8.370 nan 0.000 0.531 200 W N -1.249 120.365 121.300 0.524 0.000 2.284 200 W HA 0.608 5.271 4.660 0.005 0.000 0.334 200 W C -0.175 176.655 176.519 0.518 0.000 0.917 200 W CA -0.879 56.736 57.345 0.450 0.000 1.621 200 W CB 0.129 29.856 29.460 0.445 0.000 1.129 200 W HN -0.006 nan 8.180 nan 0.000 0.528 201 G N 1.695 110.722 108.800 0.379 0.000 2.571 201 G HA2 0.543 4.506 3.960 0.005 0.000 0.304 201 G HA3 0.543 4.506 3.960 0.005 0.000 0.304 201 G C -1.431 173.335 174.900 -0.223 0.000 1.314 201 G CA -0.946 44.282 45.100 0.214 0.000 0.975 201 G HN 0.105 nan 8.290 nan 0.000 0.485 202 I N 0.767 120.756 120.570 -0.969 0.000 2.529 202 I HA 0.313 4.486 4.170 0.005 0.000 0.284 202 I C 0.808 176.613 176.117 -0.520 0.000 1.082 202 I CA -0.795 59.906 61.300 -0.999 0.000 1.406 202 I CB 0.660 37.648 38.000 -1.688 0.000 1.405 202 I HN 0.431 nan 8.210 nan 0.000 0.548 203 R N 8.315 128.624 120.500 -0.318 0.000 2.288 203 R HA 0.331 4.674 4.340 0.005 0.000 0.330 203 R C -1.156 174.957 176.300 -0.312 0.000 1.069 203 R CA 0.092 56.042 56.100 -0.250 0.000 0.941 203 R CB 0.321 30.572 30.300 -0.083 0.000 0.998 203 R HN 0.680 nan 8.270 nan 0.000 0.452 204 M N 5.643 124.992 119.600 -0.419 0.000 1.962 204 M HA 0.147 4.630 4.480 0.005 0.000 0.227 204 M C -1.012 174.956 176.300 -0.554 0.000 0.890 204 M CA -0.568 54.408 55.300 -0.539 0.000 0.843 204 M CB 2.072 34.274 32.600 -0.664 0.000 1.894 204 M HN 0.229 nan 8.290 nan 0.000 0.359 205 V N 1.411 121.070 119.914 -0.425 0.000 2.302 205 V HA 0.070 4.193 4.120 0.005 0.000 0.244 205 V C 0.786 176.732 176.094 -0.246 0.000 1.160 205 V CA 0.428 62.452 62.300 -0.459 0.000 1.127 205 V CB -0.041 31.492 31.823 -0.484 0.000 1.253 205 V HN 0.699 nan 8.190 nan 0.000 0.496 206 T N 3.273 117.649 114.554 -0.296 0.000 2.849 206 T HA 0.605 4.958 4.350 0.005 0.000 0.276 206 T C 0.140 174.719 174.700 -0.202 0.000 0.971 206 T CA -0.182 61.826 62.100 -0.153 0.000 0.949 206 T CB 1.284 70.022 68.868 -0.217 0.000 1.093 206 T HN 0.627 nan 8.240 nan 0.000 0.545 207 S N -0.876 114.670 115.700 -0.256 0.000 2.618 207 S HA 0.888 5.361 4.470 0.005 0.000 0.277 207 S C -0.279 173.947 174.600 -0.624 0.000 1.138 207 S CA -0.173 57.810 58.200 -0.361 0.000 0.844 207 S CB 1.765 64.823 63.200 -0.237 0.000 1.127 207 S HN 1.318 nan 8.310 nan 0.000 0.474 208 G N -0.326 107.878 108.800 -0.993 0.000 2.369 208 G HA2 0.230 4.193 3.960 0.005 0.000 0.307 208 G HA3 0.230 4.193 3.960 0.005 0.000 0.307 208 G C -1.723 172.859 174.900 -0.529 0.000 1.327 208 G CA -0.760 43.630 45.100 -1.183 0.000 0.963 208 G HN 0.848 nan 8.290 nan 0.000 0.590 209 V N 2.398 122.046 119.914 -0.445 0.000 2.326 209 V HA 0.209 4.332 4.120 0.005 0.000 0.249 209 V C 1.418 177.474 176.094 -0.063 0.000 1.114 209 V CA 0.395 62.630 62.300 -0.108 0.000 1.028 209 V CB -0.229 31.432 31.823 -0.271 0.000 1.170 209 V HN 0.803 nan 8.190 nan 0.000 0.494 210 W N 5.535 126.769 121.300 -0.111 0.000 3.077 210 W HA 0.321 4.984 4.660 0.005 0.000 0.266 210 W C 0.327 176.842 176.519 -0.006 0.000 1.300 210 W CA -0.533 56.764 57.345 -0.079 0.000 1.586 210 W CB 0.221 29.646 29.460 -0.059 0.000 1.103 210 W HN 0.353 nan 8.180 nan 0.000 0.652 211 R N 0.035 120.290 120.500 -0.409 0.000 2.855 211 R HA 0.427 4.770 4.340 0.005 0.000 0.266 211 R C -2.604 173.589 176.300 -0.180 0.000 1.034 211 R CA -2.084 53.785 56.100 -0.385 0.000 0.944 211 R CB 1.212 31.127 30.300 -0.643 0.000 1.219 211 R HN -0.402 nan 8.270 nan 0.000 0.474 212 P HA 0.037 nan 4.420 nan 0.000 0.270 212 P C -0.972 176.286 177.300 -0.071 0.000 1.223 212 P CA -0.166 62.887 63.100 -0.078 0.000 0.785 212 P CB 0.543 32.206 31.700 -0.062 0.000 0.923 213 V N 1.835 121.707 119.914 -0.070 0.000 2.409 213 V HA 0.493 4.616 4.120 0.005 0.000 0.291 213 V C 0.361 176.361 176.094 -0.156 0.000 1.020 213 V CA -0.359 61.836 62.300 -0.175 0.000 0.848 213 V CB 1.204 32.972 31.823 -0.091 0.000 0.990 213 V HN 0.696 nan 8.190 nan 0.000 0.430 214 T N 2.684 117.111 114.554 -0.212 0.000 2.924 214 T HA 0.824 5.177 4.350 0.005 0.000 0.291 214 T C -1.084 173.476 174.700 -0.233 0.000 1.045 214 T CA -0.808 61.192 62.100 -0.166 0.000 1.015 214 T CB 2.081 70.888 68.868 -0.102 0.000 1.103 214 T HN 0.360 nan 8.240 nan 0.000 0.496 215 L N 1.488 122.579 121.223 -0.220 0.000 2.349 215 L HA 0.629 4.972 4.340 0.005 0.000 0.278 215 L C -0.205 176.487 176.870 -0.297 0.000 0.996 215 L CA -0.694 53.950 54.840 -0.327 0.000 0.825 215 L CB 1.562 43.370 42.059 -0.417 0.000 1.243 215 L HN 0.844 nan 8.230 nan 0.000 0.412 216 R N 4.411 124.736 120.500 -0.292 0.000 2.387 216 R HA 0.541 4.883 4.340 0.005 0.000 0.314 216 R C -1.696 174.508 176.300 -0.160 0.000 0.958 216 R CA -0.480 55.548 56.100 -0.120 0.000 0.846 216 R CB 0.826 31.118 30.300 -0.014 0.000 1.147 216 R HN 0.521 nan 8.270 nan 0.000 0.447 217 F N 5.944 125.983 119.950 0.147 0.000 2.388 217 F HA 0.386 4.916 4.527 0.005 0.000 0.358 217 F C -0.391 175.498 175.800 0.147 0.000 1.122 217 F CA -0.619 57.437 58.000 0.093 0.000 1.056 217 F CB 1.032 40.052 39.000 0.032 0.000 1.155 217 F HN 0.475 nan 8.300 nan 0.000 0.461 218 Y N -0.581 119.798 120.300 0.131 0.000 2.655 218 Y HA 0.675 5.228 4.550 0.005 0.000 0.336 218 Y C -1.593 174.343 175.900 0.060 0.000 1.154 218 Y CA -1.584 56.562 58.100 0.077 0.000 1.055 218 Y CB 1.229 39.709 38.460 0.034 0.000 1.295 218 Y HN 0.313 nan 8.280 nan 0.000 0.465 219 D N 2.256 122.755 120.400 0.165 0.000 2.252 219 D HA 0.424 5.067 4.640 0.005 0.000 0.245 219 D C 0.765 177.180 176.300 0.191 0.000 1.009 219 D CA -0.080 53.960 54.000 0.068 0.000 0.870 219 D CB 2.022 42.855 40.800 0.055 0.000 1.251 219 D HN 0.779 nan 8.370 nan 0.000 0.460 220 I N -0.820 119.813 120.570 0.105 0.000 4.713 220 I HA -0.378 3.795 4.170 0.005 0.000 0.044 220 I C 0.501 176.740 176.117 0.204 0.000 0.627 220 I CA 1.637 63.008 61.300 0.118 0.000 0.714 220 I CB -1.898 36.150 38.000 0.081 0.000 0.668 220 I HN 0.630 nan 8.210 nan 0.000 0.156 221 A N 0.364 123.346 122.820 0.270 0.000 2.610 221 A HA 0.748 5.071 4.320 0.005 0.000 0.291 221 A C -0.147 177.389 177.584 -0.079 0.000 1.086 221 A CA 0.399 52.525 52.037 0.149 0.000 0.677 221 A CB 1.613 20.639 19.000 0.042 0.000 1.278 221 A HN 0.642 nan 8.150 nan 0.000 0.414 222 T N -1.199 113.194 114.554 -0.268 0.000 2.932 222 T HA 0.720 5.073 4.350 0.005 0.000 0.289 222 T C -0.345 174.248 174.700 -0.179 0.000 1.039 222 T CA -0.519 61.371 62.100 -0.351 0.000 1.024 222 T CB 0.943 69.481 68.868 -0.551 0.000 1.090 222 T HN 0.527 nan 8.240 nan 0.000 0.496 223 I N 2.818 123.300 120.570 -0.148 0.000 2.347 223 I HA 0.139 4.312 4.170 0.005 0.000 0.294 223 I C 1.219 177.293 176.117 -0.071 0.000 1.090 223 I CA -0.292 60.952 61.300 -0.093 0.000 1.314 223 I CB 0.958 38.907 38.000 -0.085 0.000 1.423 223 I HN 0.764 nan 8.210 nan 0.000 0.503 224 S N 3.456 119.124 115.700 -0.054 0.000 2.406 224 S HA -0.068 4.405 4.470 0.005 0.000 0.228 224 S C 0.253 174.857 174.600 0.008 0.000 1.020 224 S CA 0.817 58.998 58.200 -0.032 0.000 0.965 224 S CB -0.129 63.052 63.200 -0.032 0.000 0.798 224 S HN 0.773 nan 8.310 nan 0.000 0.488 225 D N -1.322 119.104 120.400 0.043 0.000 2.836 225 D HA 0.347 4.990 4.640 0.005 0.000 0.215 225 D C -2.013 174.417 176.300 0.216 0.000 1.255 225 D CA -0.519 53.544 54.000 0.106 0.000 0.822 225 D CB 1.066 41.916 40.800 0.083 0.000 1.656 225 D HN -0.021 nan 8.370 nan 0.000 0.511 226 Y N 4.086 124.463 120.300 0.129 0.000 2.326 226 Y HA 0.521 5.074 4.550 0.005 0.000 0.329 226 Y C -2.244 173.834 175.900 0.298 0.000 0.973 226 Y CA -1.202 57.007 58.100 0.182 0.000 1.162 226 Y CB 0.682 39.204 38.460 0.104 0.000 1.147 226 Y HN 0.390 nan 8.280 nan 0.000 0.456 227 Y N 6.331 126.697 120.300 0.111 0.000 2.328 227 Y HA 0.626 5.179 4.550 0.005 0.000 0.336 227 Y C -1.495 174.285 175.900 -0.200 0.000 0.960 227 Y CA -1.848 56.175 58.100 -0.128 0.000 1.134 227 Y CB 1.318 39.758 38.460 -0.032 0.000 1.166 227 Y HN 0.340 nan 8.280 nan 0.000 0.464 228 V N 8.304 127.949 119.914 -0.448 0.000 2.320 228 V HA 0.386 4.509 4.120 0.005 0.000 0.265 228 V C 0.012 175.688 176.094 -0.696 0.000 1.048 228 V CA -0.575 61.381 62.300 -0.573 0.000 0.865 228 V CB 0.461 31.821 31.823 -0.771 0.000 1.043 228 V HN 0.675 nan 8.190 nan 0.000 0.474 229 R N 4.220 124.266 120.500 -0.758 0.000 2.229 229 R HA 0.357 4.700 4.340 0.005 0.000 0.332 229 R C -0.019 176.061 176.300 -0.367 0.000 0.989 229 R CA -0.454 55.177 56.100 -0.783 0.000 0.842 229 R CB 0.876 30.623 30.300 -0.921 0.000 1.119 229 R HN 0.769 nan 8.270 nan 0.000 0.456 230 Q N 4.920 124.565 119.800 -0.259 0.000 2.296 230 Q HA 0.085 4.428 4.340 0.005 0.000 0.263 230 Q C 0.159 176.095 176.000 -0.106 0.000 1.026 230 Q CA -0.146 55.562 55.803 -0.159 0.000 0.912 230 Q CB 0.997 29.659 28.738 -0.127 0.000 1.198 230 Q HN 0.807 nan 8.270 nan 0.000 0.407 231 L N 2.196 123.369 121.223 -0.084 0.000 2.168 231 L HA 0.114 4.456 4.340 0.005 0.000 0.203 231 L C 0.651 177.500 176.870 -0.035 0.000 1.078 231 L CA 0.377 55.183 54.840 -0.056 0.000 0.780 231 L CB -0.025 42.005 42.059 -0.049 0.000 0.939 231 L HN 0.661 nan 8.230 nan 0.000 0.451 232 S N -0.820 114.862 115.700 -0.030 0.000 2.565 232 S HA 0.649 5.122 4.470 0.005 0.000 0.269 232 S C -1.296 173.298 174.600 -0.010 0.000 1.153 232 S CA -0.793 57.398 58.200 -0.015 0.000 0.835 232 S CB 2.600 65.794 63.200 -0.010 0.000 1.122 232 S HN -0.010 nan 8.310 nan 0.000 0.462 233 L N 1.753 122.978 121.223 0.003 0.000 2.516 233 L HA 0.810 5.153 4.340 0.005 0.000 0.267 233 L C -0.492 176.392 176.870 0.024 0.000 0.957 233 L CA 0.380 55.228 54.840 0.014 0.000 0.860 233 L CB 1.812 43.885 42.059 0.023 0.000 1.265 233 L HN 1.251 nan 8.230 nan 0.000 0.403 234 T N -0.847 113.722 114.554 0.025 0.000 2.864 234 T HA 0.444 4.797 4.350 0.005 0.000 0.289 234 T C 0.318 175.039 174.700 0.035 0.000 1.082 234 T CA -0.560 61.557 62.100 0.028 0.000 1.009 234 T CB 1.280 70.161 68.868 0.020 0.000 1.234 234 T HN 0.436 nan 8.240 nan 0.000 0.526 235 D N 0.312 120.733 120.400 0.034 0.000 2.221 235 D HA -0.049 4.594 4.640 0.005 0.000 0.204 235 D C 1.567 177.889 176.300 0.036 0.000 0.982 235 D CA 1.289 55.311 54.000 0.038 0.000 0.857 235 D CB 0.030 40.848 40.800 0.030 0.000 0.934 235 D HN 0.674 nan 8.370 nan 0.000 0.475 236 E N -0.529 119.687 120.200 0.028 0.000 2.190 236 E HA 0.087 4.440 4.350 0.005 0.000 0.191 236 E C 0.192 176.806 176.600 0.023 0.000 0.978 236 E CA 0.354 56.769 56.400 0.024 0.000 0.839 236 E CB 0.331 30.041 29.700 0.017 0.000 0.787 236 E HN 0.016 nan 8.360 nan 0.000 0.473 237 N N -0.994 117.718 118.700 0.020 0.000 2.431 237 N HA 0.469 5.212 4.740 0.005 0.000 0.275 237 N C -1.995 173.520 175.510 0.008 0.000 1.091 237 N CA -0.322 52.736 53.050 0.013 0.000 0.922 237 N CB 1.627 40.118 38.487 0.008 0.000 1.666 237 N HN -0.014 nan 8.380 nan 0.000 0.484 238 A N 2.683 125.501 122.820 -0.002 0.000 2.288 238 A HA 0.725 5.048 4.320 0.005 0.000 0.320 238 A C -0.452 177.124 177.584 -0.013 0.000 1.217 238 A CA -0.537 51.492 52.037 -0.013 0.000 0.840 238 A CB 0.460 19.440 19.000 -0.034 0.000 1.179 238 A HN 0.632 nan 8.150 nan 0.000 0.504 239 R N 2.309 122.799 120.500 -0.015 0.000 2.338 239 R HA 0.593 4.936 4.340 0.005 0.000 0.317 239 R C -1.038 175.246 176.300 -0.027 0.000 0.968 239 R CA -0.588 55.503 56.100 -0.014 0.000 0.849 239 R CB 1.204 31.495 30.300 -0.015 0.000 1.128 239 R HN 0.478 nan 8.270 nan 0.000 0.448 240 L N 0.974 122.192 121.223 -0.009 0.000 2.333 240 L HA 0.488 4.831 4.340 0.005 0.000 0.269 240 L C 0.083 176.938 176.870 -0.025 0.000 1.010 240 L CA -0.508 54.314 54.840 -0.030 0.000 0.818 240 L CB 1.840 43.925 42.059 0.045 0.000 1.306 240 L HN 0.544 nan 8.230 nan 0.000 0.430 241 S N 1.960 117.611 115.700 -0.082 0.000 2.640 241 S HA 0.434 4.907 4.470 0.005 0.000 0.320 241 S C -0.532 174.031 174.600 -0.061 0.000 1.097 241 S CA -0.704 57.459 58.200 -0.063 0.000 1.092 241 S CB 0.153 63.298 63.200 -0.091 0.000 0.988 241 S HN 0.568 nan 8.310 nan 0.000 0.470 242 N N 4.792 123.531 118.700 0.065 0.000 2.402 242 N HA 0.129 4.872 4.740 0.005 0.000 0.252 242 N C -0.765 174.848 175.510 0.172 0.000 1.118 242 N CA 0.038 53.212 53.050 0.208 0.000 0.945 242 N CB 0.816 39.493 38.487 0.318 0.000 1.147 242 N HN 0.694 nan 8.380 nan 0.000 0.495 243 E N 2.680 122.990 120.200 0.184 0.000 2.113 243 E HA 0.355 4.708 4.350 0.005 0.000 0.273 243 E C -0.389 176.374 176.600 0.272 0.000 0.924 243 E CA -0.431 56.080 56.400 0.185 0.000 0.764 243 E CB 1.710 31.514 29.700 0.173 0.000 1.104 243 E HN 0.302 nan 8.360 nan 0.000 0.406 244 L N 4.024 125.352 121.223 0.175 0.000 2.334 244 L HA 0.541 4.884 4.340 0.005 0.000 0.276 244 L C -0.347 176.567 176.870 0.073 0.000 1.014 244 L CA -0.779 54.132 54.840 0.119 0.000 0.815 244 L CB 1.432 43.490 42.059 -0.002 0.000 1.268 244 L HN 0.437 nan 8.230 nan 0.000 0.428 245 I N 3.280 123.872 120.570 0.037 0.000 2.355 245 I HA 0.360 4.533 4.170 0.005 0.000 0.288 245 I C -0.761 175.303 176.117 -0.088 0.000 0.999 245 I CA -0.657 60.592 61.300 -0.084 0.000 1.163 245 I CB 1.850 39.814 38.000 -0.061 0.000 1.316 245 I HN 0.181 nan 8.210 nan 0.000 0.454 246 V N 5.371 125.213 119.914 -0.120 0.000 2.417 246 V HA 0.324 4.447 4.120 0.005 0.000 0.291 246 V C -0.203 175.842 176.094 -0.081 0.000 1.024 246 V CA -0.719 61.528 62.300 -0.088 0.000 0.861 246 V CB 1.817 33.599 31.823 -0.068 0.000 0.985 246 V HN 0.651 nan 8.190 nan 0.000 0.436 247 N N 3.898 122.560 118.700 -0.064 0.000 2.485 247 N HA 0.220 4.963 4.740 0.005 0.000 0.243 247 N C -0.431 175.087 175.510 0.013 0.000 0.987 247 N CA -0.261 52.770 53.050 -0.031 0.000 0.940 247 N CB 1.202 39.673 38.487 -0.026 0.000 1.122 247 N HN 0.802 nan 8.380 nan 0.000 0.509 248 Q N 3.495 123.311 119.800 0.026 0.000 2.279 248 Q HA 0.259 4.602 4.340 0.005 0.000 0.256 248 Q C 0.177 176.225 176.000 0.079 0.000 0.937 248 Q CA -0.193 55.646 55.803 0.060 0.000 0.933 248 Q CB 0.894 29.654 28.738 0.036 0.000 1.189 248 Q HN 0.718 nan 8.270 nan 0.000 0.417 249 I N 4.487 125.128 120.570 0.120 0.000 3.968 249 I HA 0.070 4.243 4.170 0.005 0.000 0.328 249 I C -0.201 175.943 176.117 0.044 0.000 1.290 249 I CA 0.047 61.407 61.300 0.099 0.000 1.163 249 I CB 1.117 39.204 38.000 0.145 0.000 1.024 249 I HN 0.544 nan 8.210 nan 0.000 0.413 250 V N -1.670 118.267 119.914 0.038 0.000 2.966 250 V HA 0.577 4.700 4.120 0.005 0.000 0.317 250 V C -1.894 174.211 176.094 0.019 0.000 1.070 250 V CA -1.299 61.012 62.300 0.018 0.000 1.008 250 V CB 0.717 32.548 31.823 0.014 0.000 1.070 250 V HN -0.020 nan 8.190 nan 0.000 0.457 251 P HA 0.144 nan 4.420 nan 0.000 0.245 251 P C 0.096 177.404 177.300 0.013 0.000 1.203 251 P CA 0.324 63.433 63.100 0.014 0.000 0.792 251 P CB 0.382 32.088 31.700 0.011 0.000 0.997 252 Q N 0.556 120.364 119.800 0.012 0.000 2.260 252 Q HA 0.310 4.653 4.340 0.005 0.000 0.238 252 Q C -0.058 175.950 176.000 0.013 0.000 0.948 252 Q CA -0.198 55.612 55.803 0.011 0.000 0.895 252 Q CB 0.379 29.123 28.738 0.010 0.000 1.218 252 Q HN -0.157 nan 8.270 nan 0.000 0.470 253 K N 1.066 121.473 120.400 0.012 0.000 2.350 253 K HA 0.283 4.606 4.320 0.005 0.000 0.279 253 K C -0.681 175.926 176.600 0.011 0.000 1.027 253 K CA 0.159 56.453 56.287 0.012 0.000 0.969 253 K CB 0.551 33.057 32.500 0.010 0.000 0.954 253 K HN 0.420 nan 8.250 nan 0.000 0.474 254 I N 5.375 125.952 120.570 0.012 0.000 2.448 254 I HA 0.251 4.423 4.170 0.005 0.000 0.281 254 I C -2.442 173.680 176.117 0.009 0.000 1.027 254 I CA -2.887 58.419 61.300 0.011 0.000 1.111 254 I CB 1.377 39.387 38.000 0.016 0.000 1.236 254 I HN 0.305 nan 8.210 nan 0.000 0.452 255 P HA 0.307 nan 4.420 nan 0.000 0.268 255 P C -0.526 176.776 177.300 0.003 0.000 1.204 255 P CA 0.101 63.203 63.100 0.004 0.000 0.768 255 P CB 1.040 32.742 31.700 0.003 0.000 0.842 256 A N 2.000 124.820 122.820 0.000 0.000 2.594 256 A HA 0.612 4.934 4.320 0.005 0.000 0.291 256 A C -1.300 176.280 177.584 -0.007 0.000 1.105 256 A CA -0.546 51.489 52.037 -0.003 0.000 0.694 256 A CB 1.413 20.410 19.000 -0.005 0.000 1.291 256 A HN 0.481 nan 8.150 nan 0.000 0.410 257 E N 0.895 121.088 120.200 -0.012 0.000 2.191 257 E HA 0.558 4.911 4.350 0.005 0.000 0.263 257 E C -1.497 175.088 176.600 -0.025 0.000 0.881 257 E CA -0.548 55.843 56.400 -0.015 0.000 0.757 257 E CB 1.634 31.326 29.700 -0.014 0.000 1.147 257 E HN 0.444 nan 8.360 nan 0.000 0.414 258 V N 5.170 125.067 119.914 -0.029 0.000 2.461 258 V HA 0.390 4.512 4.120 0.005 0.000 0.275 258 V C 0.086 176.151 176.094 -0.047 0.000 1.047 258 V CA -0.248 62.024 62.300 -0.046 0.000 0.955 258 V CB 0.871 32.665 31.823 -0.049 0.000 0.988 258 V HN 0.658 nan 8.190 nan 0.000 0.471 259 R N 3.319 123.782 120.500 -0.062 0.000 2.621 259 R HA 0.776 5.119 4.340 0.005 0.000 0.292 259 R C -1.550 174.706 176.300 -0.074 0.000 0.969 259 R CA -0.711 55.356 56.100 -0.054 0.000 0.887 259 R CB 2.478 32.751 30.300 -0.045 0.000 1.180 259 R HN 0.490 nan 8.270 nan 0.000 0.450 260 V N 2.836 122.718 119.914 -0.052 0.000 2.487 260 V HA 0.326 4.449 4.120 0.005 0.000 0.298 260 V C -0.561 175.504 176.094 -0.048 0.000 1.028 260 V CA -0.881 61.396 62.300 -0.038 0.000 0.860 260 V CB 1.678 33.514 31.823 0.021 0.000 0.991 260 V HN 0.708 nan 8.190 nan 0.000 0.427 261 N N 4.042 122.710 118.700 -0.054 0.000 2.392 261 N HA 0.471 5.214 4.740 0.005 0.000 0.283 261 N C -1.373 174.039 175.510 -0.164 0.000 1.003 261 N CA -0.231 52.770 53.050 -0.083 0.000 0.892 261 N CB 2.215 40.673 38.487 -0.048 0.000 1.193 261 N HN 0.378 nan 8.380 nan 0.000 0.487 262 V N 2.424 122.183 119.914 -0.257 0.000 2.370 262 V HA 0.438 4.561 4.120 0.005 0.000 0.283 262 V C -0.016 175.991 176.094 -0.146 0.000 1.023 262 V CA -0.435 61.612 62.300 -0.421 0.000 0.857 262 V CB 1.144 32.554 31.823 -0.688 0.000 0.985 262 V HN 0.660 nan 8.190 nan 0.000 0.443 263 S N 4.573 120.245 115.700 -0.046 0.000 2.599 263 S HA 0.819 5.292 4.470 0.005 0.000 0.287 263 S C -1.256 173.374 174.600 0.050 0.000 1.105 263 S CA -0.554 57.656 58.200 0.018 0.000 0.899 263 S CB 2.073 65.276 63.200 0.004 0.000 1.100 263 S HN 0.488 nan 8.310 nan 0.000 0.482 264 L N 2.932 124.144 121.223 -0.018 0.000 2.409 264 L HA 0.561 4.904 4.340 0.005 0.000 0.272 264 L C -0.054 176.772 176.870 -0.074 0.000 0.980 264 L CA 0.073 54.837 54.840 -0.126 0.000 0.826 264 L CB 0.785 42.688 42.059 -0.260 0.000 1.268 264 L HN 0.730 nan 8.230 nan 0.000 0.407 265 N N 4.061 122.723 118.700 -0.062 0.000 2.708 265 N HA -0.229 4.514 4.740 0.005 0.000 0.249 265 N C 0.961 176.459 175.510 -0.019 0.000 1.097 265 N CA 1.334 54.362 53.050 -0.036 0.000 0.710 265 N CB -0.777 37.685 38.487 -0.042 0.000 1.032 265 N HN 1.208 nan 8.380 nan 0.000 0.551 266 G N -2.443 106.350 108.800 -0.011 0.000 2.176 266 G HA2 -0.286 3.677 3.960 0.005 0.000 0.253 266 G HA3 -0.286 3.677 3.960 0.005 0.000 0.253 266 G C 0.120 175.016 174.900 -0.006 0.000 0.979 266 G CA 0.654 45.751 45.100 -0.005 0.000 0.641 266 G HN 0.469 nan 8.290 nan 0.000 0.530 267 T N 1.847 116.395 114.554 -0.010 0.000 2.797 267 T HA 0.562 4.915 4.350 0.005 0.000 0.279 267 T C 0.375 175.072 174.700 -0.004 0.000 0.991 267 T CA 0.149 62.245 62.100 -0.007 0.000 0.979 267 T CB 1.606 70.469 68.868 -0.008 0.000 0.943 267 T HN 0.210 nan 8.240 nan 0.000 0.444 268 T N 2.875 117.426 114.554 -0.006 0.000 2.902 268 T HA 0.140 4.493 4.350 0.005 0.000 0.301 268 T C 1.313 176.013 174.700 -0.001 0.000 1.012 268 T CA -0.253 61.841 62.100 -0.011 0.000 1.151 268 T CB 0.734 69.591 68.868 -0.017 0.000 0.946 268 T HN 0.355 nan 8.240 nan 0.000 0.542 269 V N 2.070 121.984 119.914 0.000 0.000 2.806 269 V HA 0.246 4.369 4.120 0.005 0.000 0.239 269 V C 1.126 177.212 176.094 -0.014 0.000 1.113 269 V CA 0.672 62.986 62.300 0.023 0.000 1.137 269 V CB 0.884 32.768 31.823 0.103 0.000 0.865 269 V HN 0.939 nan 8.190 nan 0.000 0.482 270 T N -0.703 113.817 114.554 -0.056 0.000 2.853 270 T HA 0.532 4.885 4.350 0.005 0.000 0.311 270 T C -1.969 172.683 174.700 -0.079 0.000 1.307 270 T CA -0.438 61.625 62.100 -0.062 0.000 1.019 270 T CB 2.341 71.171 68.868 -0.064 0.000 1.264 270 T HN 0.309 nan 8.240 nan 0.000 0.497 271 E N 1.186 121.353 120.200 -0.055 0.000 2.308 271 E HA 0.647 4.999 4.350 0.005 0.000 0.275 271 E C -1.332 175.246 176.600 -0.036 0.000 0.890 271 E CA -0.838 55.532 56.400 -0.050 0.000 0.754 271 E CB 1.968 31.645 29.700 -0.038 0.000 1.207 271 E HN 0.654 nan 8.360 nan 0.000 0.426 272 V N 0.514 120.409 119.914 -0.032 0.000 3.007 272 V HA 0.807 4.930 4.120 0.005 0.000 0.311 272 V C -1.176 174.906 176.094 -0.020 0.000 1.120 272 V CA -0.862 61.426 62.300 -0.020 0.000 0.980 272 V CB 1.782 33.599 31.823 -0.010 0.000 1.033 272 V HN 0.764 nan 8.190 nan 0.000 0.429 273 K N 1.715 122.105 120.400 -0.015 0.000 2.533 273 K HA 0.777 5.099 4.320 0.005 0.000 0.272 273 K C -1.485 175.108 176.600 -0.012 0.000 0.985 273 K CA -0.895 55.381 56.287 -0.017 0.000 0.876 273 K CB 2.742 35.231 32.500 -0.018 0.000 1.452 273 K HN 0.790 nan 8.250 nan 0.000 0.439 274 Q N 1.219 121.011 119.800 -0.013 0.000 2.281 274 Q HA 0.144 4.487 4.340 0.005 0.000 0.263 274 Q C -1.387 174.607 176.000 -0.009 0.000 0.989 274 Q CA -0.731 55.067 55.803 -0.009 0.000 0.852 274 Q CB 2.249 30.984 28.738 -0.006 0.000 1.337 274 Q HN 0.546 nan 8.270 nan 0.000 0.418 275 Q N 1.799 121.596 119.800 -0.005 0.000 2.288 275 Q HA 0.492 4.835 4.340 0.005 0.000 0.254 275 Q C -0.125 175.874 176.000 -0.001 0.000 0.932 275 Q CA -0.222 55.579 55.803 -0.004 0.000 0.902 275 Q CB 1.669 30.406 28.738 -0.003 0.000 1.203 275 Q HN 0.526 nan 8.270 nan 0.000 0.415 276 V N -1.345 118.568 119.914 -0.001 0.000 3.188 276 V HA 0.732 4.855 4.120 0.005 0.000 0.305 276 V C -0.669 175.427 176.094 0.003 0.000 1.232 276 V CA -0.822 61.479 62.300 0.002 0.000 1.043 276 V CB 2.377 34.200 31.823 0.001 0.000 1.068 276 V HN 0.653 nan 8.190 nan 0.000 0.439 277 T N 3.902 118.460 114.554 0.006 0.000 2.809 277 T HA 0.581 4.934 4.350 0.005 0.000 0.296 277 T C -0.272 174.433 174.700 0.008 0.000 1.015 277 T CA -0.271 61.833 62.100 0.007 0.000 0.954 277 T CB 0.784 69.656 68.868 0.007 0.000 0.950 277 T HN 0.683 nan 8.240 nan 0.000 0.450 278 L N 4.030 125.258 121.223 0.007 0.000 2.410 278 L HA 0.243 4.586 4.340 0.005 0.000 0.273 278 L C 0.696 177.573 176.870 0.012 0.000 1.144 278 L CA -0.580 54.265 54.840 0.008 0.000 0.863 278 L CB 0.424 42.487 42.059 0.007 0.000 1.140 278 L HN 0.411 nan 8.230 nan 0.000 0.463 279 Q N 3.908 123.716 119.800 0.013 0.000 2.227 279 Q HA 0.388 4.731 4.340 0.005 0.000 0.245 279 Q C -2.246 173.764 176.000 0.017 0.000 0.926 279 Q CA -2.293 53.520 55.803 0.016 0.000 0.895 279 Q CB 0.769 29.518 28.738 0.019 0.000 1.230 279 Q HN 0.295 nan 8.270 nan 0.000 0.450 280 P HA 0.029 nan 4.420 nan 0.000 0.264 280 P C 0.353 177.666 177.300 0.021 0.000 1.183 280 P CA 1.406 64.519 63.100 0.022 0.000 0.763 280 P CB 0.297 32.010 31.700 0.021 0.000 0.807 281 G N 2.893 111.707 108.800 0.023 0.000 2.527 281 G HA2 -0.191 3.772 3.960 0.005 0.000 0.227 281 G HA3 -0.191 3.772 3.960 0.005 0.000 0.227 281 G C -0.750 174.149 174.900 -0.001 0.000 1.291 281 G CA -0.834 44.277 45.100 0.018 0.000 0.904 281 G HN 0.476 nan 8.290 nan 0.000 0.577 282 I N 2.388 122.950 120.570 -0.014 0.000 2.588 282 I HA 0.252 4.425 4.170 0.005 0.000 0.283 282 I C 0.548 176.609 176.117 -0.092 0.000 1.119 282 I CA -0.204 61.050 61.300 -0.077 0.000 1.419 282 I CB 0.331 38.278 38.000 -0.088 0.000 1.394 282 I HN 0.461 nan 8.210 nan 0.000 0.562 283 N N 5.748 124.353 118.700 -0.159 0.000 2.314 283 N HA 0.328 5.071 4.740 0.005 0.000 0.294 283 N C -0.760 174.601 175.510 -0.248 0.000 1.029 283 N CA -0.603 52.377 53.050 -0.116 0.000 0.845 283 N CB 1.983 40.442 38.487 -0.046 0.000 1.321 283 N HN 0.497 nan 8.380 nan 0.000 0.481 284 H N 2.134 121.216 119.070 0.020 0.000 2.504 284 H HA 0.439 4.998 4.556 0.005 0.000 0.322 284 H C -0.414 174.926 175.328 0.020 0.000 1.055 284 H CA -0.190 55.874 56.048 0.026 0.000 1.231 284 H CB 1.632 31.409 29.762 0.025 0.000 1.417 284 H HN 0.399 nan 8.280 nan 0.000 0.472 285 I N 2.146 122.781 120.570 0.109 0.000 2.545 285 I HA 0.163 4.336 4.170 0.005 0.000 0.292 285 I C -0.025 176.136 176.117 0.072 0.000 1.040 285 I CA -0.190 61.149 61.300 0.065 0.000 1.068 285 I CB 2.235 40.247 38.000 0.019 0.000 1.251 285 I HN 0.417 nan 8.210 nan 0.000 0.424 286 T N 6.901 121.488 114.554 0.055 0.000 2.847 286 T HA 0.611 4.964 4.350 0.005 0.000 0.291 286 T C -0.766 173.954 174.700 0.033 0.000 0.998 286 T CA -0.360 61.769 62.100 0.049 0.000 0.967 286 T CB 0.731 69.622 68.868 0.038 0.000 0.954 286 T HN 0.100 nan 8.240 nan 0.000 0.441 287 L N 6.251 127.497 121.223 0.040 0.000 2.319 287 L HA 0.477 4.820 4.340 0.005 0.000 0.281 287 L C -2.300 174.593 176.870 0.039 0.000 1.005 287 L CA -2.026 52.833 54.840 0.032 0.000 0.828 287 L CB 1.373 43.449 42.059 0.029 0.000 1.227 287 L HN 0.331 nan 8.230 nan 0.000 0.415 288 P HA 0.453 nan 4.420 nan 0.000 0.271 288 P C -1.092 176.226 177.300 0.029 0.000 1.218 288 P CA -0.369 62.744 63.100 0.021 0.000 0.780 288 P CB 1.246 32.950 31.700 0.007 0.000 0.901 289 A N 1.681 124.524 122.820 0.039 0.000 2.572 289 A HA 0.629 4.952 4.320 0.005 0.000 0.295 289 A C -1.197 176.401 177.584 0.024 0.000 1.072 289 A CA -0.585 51.471 52.037 0.032 0.000 0.691 289 A CB 1.473 20.505 19.000 0.053 0.000 1.291 289 A HN 0.521 nan 8.150 nan 0.000 0.404 290 E N 0.209 120.409 120.200 -0.001 0.000 2.317 290 E HA 0.578 4.931 4.350 0.005 0.000 0.270 290 E C -1.514 175.070 176.600 -0.027 0.000 0.885 290 E CA -0.974 55.422 56.400 -0.007 0.000 0.760 290 E CB 2.650 32.347 29.700 -0.006 0.000 1.227 290 E HN 0.313 nan 8.360 nan 0.000 0.434 291 V N 2.075 121.969 119.914 -0.034 0.000 2.376 291 V HA 0.211 4.334 4.120 0.005 0.000 0.287 291 V C 0.219 176.308 176.094 -0.008 0.000 1.015 291 V CA -0.777 61.495 62.300 -0.047 0.000 0.834 291 V CB 1.168 32.904 31.823 -0.145 0.000 1.001 291 V HN 0.842 nan 8.190 nan 0.000 0.428 292 T N 1.254 115.815 114.554 0.012 0.000 2.899 292 T HA 0.296 4.649 4.350 0.005 0.000 0.295 292 T C 0.454 175.181 174.700 0.044 0.000 1.033 292 T CA -0.276 61.838 62.100 0.023 0.000 1.084 292 T CB 0.035 68.915 68.868 0.020 0.000 0.979 292 T HN 0.770 nan 8.240 nan 0.000 0.532 293 N N 1.174 119.900 118.700 0.044 0.000 2.686 293 N HA -0.122 4.621 4.740 0.005 0.000 0.261 293 N C -2.537 173.029 175.510 0.092 0.000 1.001 293 N CA 0.251 53.336 53.050 0.058 0.000 0.764 293 N CB -0.999 37.518 38.487 0.051 0.000 0.898 293 N HN 0.652 nan 8.380 nan 0.000 0.544 294 P HA 0.047 nan 4.420 nan 0.000 0.271 294 P C -0.194 177.230 177.300 0.207 0.000 1.216 294 P CA -0.036 63.156 63.100 0.154 0.000 0.776 294 P CB 0.981 32.726 31.700 0.076 0.000 0.881 295 V N 5.267 125.382 119.914 0.335 0.000 2.353 295 V HA 0.183 4.306 4.120 0.005 0.000 0.264 295 V C 1.266 177.536 176.094 0.294 0.000 1.049 295 V CA -0.373 62.070 62.300 0.238 0.000 0.896 295 V CB -0.218 31.693 31.823 0.146 0.000 1.025 295 V HN 0.485 nan 8.190 nan 0.000 0.475 296 R N 3.034 123.664 120.500 0.218 0.000 2.590 296 R HA 0.076 4.419 4.340 0.005 0.000 0.274 296 R C -0.329 176.145 176.300 0.290 0.000 1.061 296 R CA -0.319 55.931 56.100 0.251 0.000 1.081 296 R CB 0.791 31.207 30.300 0.194 0.000 0.984 296 R HN 0.754 nan 8.270 nan 0.000 0.448 297 W N 5.050 126.433 121.300 0.139 0.000 2.368 297 W HA 0.088 4.751 4.660 0.004 0.000 0.316 297 W C -0.825 175.766 176.519 0.121 0.000 1.375 297 W CA -0.248 57.167 57.345 0.117 0.000 1.261 297 W CB 0.597 30.120 29.460 0.106 0.000 1.298 297 W HN 0.288 nan 8.180 nan 0.000 0.539 298 M N 9.504 128.925 119.600 -0.297 0.000 2.508 298 M HA 0.388 4.871 4.480 0.005 0.000 0.327 298 M C -2.119 173.726 176.300 -0.759 0.000 1.160 298 M CA -2.828 52.321 55.300 -0.252 0.000 0.980 298 M CB 1.068 33.633 32.600 -0.058 0.000 1.693 298 M HN 0.255 nan 8.290 nan 0.000 0.452 299 P HA 0.131 nan 4.420 nan 0.000 0.276 299 P C -0.513 176.572 177.300 -0.358 0.000 1.252 299 P CA -0.514 62.264 63.100 -0.537 0.000 0.802 299 P CB 0.389 31.896 31.700 -0.321 0.000 1.035 300 N N 0.155 118.675 118.700 -0.300 0.000 2.359 300 N HA 0.144 4.887 4.740 0.005 0.000 0.261 300 N C 1.421 176.826 175.510 -0.175 0.000 1.267 300 N CA 2.185 55.120 53.050 -0.191 0.000 0.864 300 N CB -0.639 37.769 38.487 -0.132 0.000 1.063 300 N HN 0.756 nan 8.380 nan 0.000 0.474 301 G N 2.623 111.378 108.800 -0.075 0.000 2.279 301 G HA2 -0.226 3.737 3.960 0.005 0.000 0.223 301 G HA3 -0.226 3.737 3.960 0.005 0.000 0.223 301 G C 0.390 175.408 174.900 0.196 0.000 1.015 301 G CA 0.150 45.251 45.100 0.001 0.000 0.621 301 G HN 0.564 nan 8.290 nan 0.000 0.506 302 W N 1.832 123.090 121.300 -0.069 0.000 3.127 302 W HA 0.605 5.270 4.660 0.008 0.000 0.344 302 W C 1.221 177.698 176.519 -0.071 0.000 1.151 302 W CA 0.390 57.702 57.345 -0.054 0.000 1.765 302 W CB 0.212 29.647 29.460 -0.042 0.000 1.085 302 W HN 1.112 nan 8.180 nan 0.000 0.596 303 G N -0.052 108.812 108.800 0.106 0.000 2.332 303 G HA2 0.119 4.081 3.960 0.005 0.000 0.265 303 G HA3 0.119 4.081 3.960 0.005 0.000 0.265 303 G C -0.515 174.349 174.900 -0.059 0.000 1.329 303 G CA -0.378 44.735 45.100 0.022 0.000 0.949 303 G HN -0.076 nan 8.290 nan 0.000 0.476 304 T N 0.098 114.611 114.554 -0.068 0.000 2.897 304 T HA 0.622 4.975 4.350 0.005 0.000 0.294 304 T C -2.402 172.166 174.700 -0.220 0.000 1.004 304 T CA -1.247 60.789 62.100 -0.106 0.000 1.106 304 T CB 2.078 70.914 68.868 -0.052 0.000 0.949 304 T HN 0.430 nan 8.240 nan 0.000 0.520 305 P HA 0.217 nan 4.420 nan 0.000 0.209 305 P C -0.282 176.992 177.300 -0.043 0.000 1.843 305 P CA -0.498 62.274 63.100 -0.548 0.000 0.985 305 P CB -0.671 30.776 31.700 -0.422 0.000 1.904 306 T N 2.356 116.940 114.554 0.050 0.000 2.871 306 T HA 0.153 4.506 4.350 0.005 0.000 0.296 306 T C 0.414 175.297 174.700 0.305 0.000 0.998 306 T CA 0.674 62.855 62.100 0.135 0.000 1.162 306 T CB 0.089 69.012 68.868 0.092 0.000 0.947 306 T HN 0.147 nan 8.240 nan 0.000 0.536 307 L N 3.710 125.043 121.223 0.184 0.000 2.356 307 L HA 0.471 4.813 4.340 0.005 0.000 0.277 307 L C -0.570 176.379 176.870 0.133 0.000 0.996 307 L CA -1.069 53.910 54.840 0.232 0.000 0.822 307 L CB 1.241 43.422 42.059 0.203 0.000 1.256 307 L HN 0.628 nan 8.230 nan 0.000 0.413 308 Y N 1.084 121.507 120.300 0.206 0.000 2.300 308 Y HA 0.183 4.736 4.550 0.004 0.000 0.328 308 Y C 0.345 176.403 175.900 0.263 0.000 1.270 308 Y CA -0.280 57.959 58.100 0.231 0.000 1.352 308 Y CB 0.940 39.623 38.460 0.371 0.000 1.286 308 Y HN 0.445 nan 8.280 nan 0.000 0.536 309 D N 2.484 123.088 120.400 0.340 0.000 2.349 309 D HA 0.197 4.840 4.640 0.005 0.000 0.232 309 D C -1.301 175.173 176.300 0.291 0.000 1.071 309 D CA -0.111 54.059 54.000 0.283 0.000 0.832 309 D CB 0.945 41.830 40.800 0.142 0.000 1.086 309 D HN 0.214 nan 8.370 nan 0.000 0.504 310 F N 1.119 121.154 119.950 0.142 0.000 2.411 310 F HA 0.222 4.752 4.527 0.004 0.000 0.352 310 F C 0.748 176.682 175.800 0.225 0.000 1.123 310 F CA -0.591 57.517 58.000 0.179 0.000 1.044 310 F CB 1.869 40.969 39.000 0.167 0.000 1.135 310 F HN 0.029 nan 8.300 nan 0.000 0.461 311 S N 3.040 118.896 115.700 0.260 0.000 2.519 311 S HA 0.859 5.332 4.470 0.005 0.000 0.309 311 S C -0.836 173.769 174.600 0.010 0.000 1.100 311 S CA -0.483 57.799 58.200 0.136 0.000 1.059 311 S CB 0.805 64.035 63.200 0.049 0.000 1.008 311 S HN 0.758 nan 8.310 nan 0.000 0.478 312 A N 4.624 127.344 122.820 -0.168 0.000 2.303 312 A HA 0.730 5.053 4.320 0.005 0.000 0.320 312 A C -0.498 176.951 177.584 -0.225 0.000 1.192 312 A CA -0.611 51.204 52.037 -0.369 0.000 0.821 312 A CB 0.851 19.273 19.000 -0.965 0.000 1.188 312 A HN 0.832 nan 8.150 nan 0.000 0.492 313 Q N 1.378 121.086 119.800 -0.154 0.000 2.377 313 Q HA 0.523 4.866 4.340 0.005 0.000 0.271 313 Q C -1.156 174.790 176.000 -0.091 0.000 1.077 313 Q CA -0.867 54.875 55.803 -0.102 0.000 0.820 313 Q CB 2.502 31.202 28.738 -0.064 0.000 1.347 313 Q HN 0.621 nan 8.270 nan 0.000 0.444 314 I N 1.845 122.373 120.570 -0.071 0.000 2.328 314 I HA 0.464 4.636 4.170 0.005 0.000 0.287 314 I C -0.348 175.752 176.117 -0.027 0.000 1.012 314 I CA -0.513 60.758 61.300 -0.049 0.000 1.195 314 I CB 0.656 38.630 38.000 -0.043 0.000 1.350 314 I HN 0.580 nan 8.210 nan 0.000 0.464 315 A N 6.270 129.077 122.820 -0.023 0.000 2.271 315 A HA 0.583 4.906 4.320 0.005 0.000 0.317 315 A C -0.528 177.053 177.584 -0.006 0.000 1.245 315 A CA -0.341 51.688 52.037 -0.012 0.000 0.857 315 A CB 0.602 19.593 19.000 -0.014 0.000 1.175 315 A HN 0.752 nan 8.150 nan 0.000 0.512 316 C N 3.257 122.558 119.300 0.002 0.000 2.264 316 C HA 0.720 5.183 4.460 0.005 0.000 0.322 316 C C 1.433 176.426 174.990 0.005 0.000 1.210 316 C CA 0.435 59.456 59.018 0.006 0.000 1.539 316 C CB -0.483 27.265 27.740 0.013 0.000 2.167 316 C HN 1.694 nan 8.230 nan 0.000 0.463 317 G N 4.036 112.838 108.800 0.003 0.000 2.596 317 G HA2 -0.330 3.633 3.960 0.005 0.000 0.304 317 G HA3 -0.330 3.633 3.960 0.005 0.000 0.304 317 G C 0.633 175.533 174.900 0.001 0.000 1.189 317 G CA 0.872 45.973 45.100 0.002 0.000 0.986 317 G HN 0.496 nan 8.290 nan 0.000 0.548 318 D N 1.948 122.350 120.400 0.003 0.000 2.289 318 D HA 0.151 4.794 4.640 0.005 0.000 0.207 318 D C 1.359 177.660 176.300 0.003 0.000 0.966 318 D CA 1.420 55.421 54.000 0.002 0.000 0.868 318 D CB -0.032 40.769 40.800 0.002 0.000 0.943 318 D HN 0.686 nan 8.370 nan 0.000 0.514 319 R N 0.371 120.874 120.500 0.005 0.000 2.540 319 R HA 0.485 4.828 4.340 0.005 0.000 0.287 319 R C -0.601 175.703 176.300 0.007 0.000 0.980 319 R CA -0.774 55.330 56.100 0.008 0.000 0.966 319 R CB 1.306 31.614 30.300 0.014 0.000 1.106 319 R HN 0.050 nan 8.270 nan 0.000 0.480 320 I N 3.929 124.503 120.570 0.006 0.000 2.281 320 I HA -0.015 4.158 4.170 0.005 0.000 0.293 320 I C 1.686 177.810 176.117 0.011 0.000 1.085 320 I CA -0.341 60.959 61.300 0.000 0.000 1.257 320 I CB 0.900 38.896 38.000 -0.007 0.000 1.430 320 I HN 0.643 nan 8.210 nan 0.000 0.489 321 V N 3.497 123.421 119.914 0.017 0.000 2.871 321 V HA 0.368 4.491 4.120 0.005 0.000 0.256 321 V C 0.844 176.956 176.094 0.031 0.000 1.082 321 V CA 0.782 63.107 62.300 0.042 0.000 1.105 321 V CB -0.259 31.600 31.823 0.059 0.000 0.713 321 V HN 0.693 nan 8.190 nan 0.000 0.473 322 A N -0.255 122.560 122.820 -0.008 0.000 2.517 322 A HA 0.766 5.089 4.320 0.005 0.000 0.297 322 A C -0.906 176.642 177.584 -0.058 0.000 1.050 322 A CA -0.465 51.545 52.037 -0.044 0.000 0.694 322 A CB 1.930 20.888 19.000 -0.071 0.000 1.277 322 A HN 0.291 nan 8.150 nan 0.000 0.400 323 E N 0.932 121.095 120.200 -0.063 0.000 2.356 323 E HA 0.605 4.957 4.350 0.005 0.000 0.275 323 E C -1.757 174.797 176.600 -0.076 0.000 0.904 323 E CA -0.342 56.014 56.400 -0.073 0.000 0.757 323 E CB 2.290 31.962 29.700 -0.047 0.000 1.232 323 E HN 0.701 nan 8.360 nan 0.000 0.442 324 Q N 1.181 120.927 119.800 -0.091 0.000 2.309 324 Q HA 0.503 4.846 4.340 0.005 0.000 0.273 324 Q C -1.912 174.076 176.000 -0.021 0.000 1.040 324 Q CA -0.383 55.378 55.803 -0.070 0.000 0.834 324 Q CB 2.084 30.790 28.738 -0.054 0.000 1.345 324 Q HN 0.338 nan 8.270 nan 0.000 0.414 325 S N 2.416 118.073 115.700 -0.072 0.000 2.566 325 S HA 0.712 5.185 4.470 0.005 0.000 0.298 325 S C -1.458 172.987 174.600 -0.258 0.000 1.083 325 S CA -0.655 57.536 58.200 -0.014 0.000 0.978 325 S CB 0.839 64.058 63.200 0.032 0.000 1.073 325 S HN 0.580 nan 8.310 nan 0.000 0.491 326 H N 1.165 120.301 119.070 0.110 0.000 2.768 326 H HA 0.419 4.978 4.556 0.005 0.000 0.371 326 H C -0.476 174.871 175.328 0.031 0.000 1.151 326 H CA -0.711 55.311 56.048 -0.043 0.000 1.165 326 H CB 1.295 30.908 29.762 -0.249 0.000 1.722 326 H HN 0.431 nan 8.280 nan 0.000 0.543 327 R N 1.758 122.339 120.500 0.134 0.000 2.308 327 R HA 0.386 4.729 4.340 0.005 0.000 0.305 327 R C -0.274 176.045 176.300 0.032 0.000 1.053 327 R CA -0.564 55.614 56.100 0.130 0.000 0.957 327 R CB 0.902 31.267 30.300 0.108 0.000 1.022 327 R HN 0.310 nan 8.270 nan 0.000 0.461 328 I N 1.682 122.302 120.570 0.084 0.000 2.466 328 I HA 0.293 4.466 4.170 0.005 0.000 0.289 328 I C 0.512 176.671 176.117 0.070 0.000 1.026 328 I CA -0.547 60.700 61.300 -0.089 0.000 1.078 328 I CB 1.700 39.425 38.000 -0.458 0.000 1.249 328 I HN 0.696 nan 8.210 nan 0.000 0.429 329 G N 6.588 115.337 108.800 -0.084 0.000 2.343 329 G HA2 0.627 4.590 3.960 0.005 0.000 0.319 329 G HA3 0.627 4.590 3.960 0.005 0.000 0.319 329 G C -0.642 174.264 174.900 0.010 0.000 1.126 329 G CA -0.503 44.602 45.100 0.008 0.000 0.889 329 G HN 0.480 nan 8.290 nan 0.000 0.457 330 L N 4.122 125.461 121.223 0.193 0.000 2.259 330 L HA 0.575 4.918 4.340 0.005 0.000 0.288 330 L C 0.337 177.314 176.870 0.178 0.000 1.051 330 L CA -0.804 54.104 54.840 0.113 0.000 0.824 330 L CB 0.281 42.400 42.059 0.100 0.000 1.206 330 L HN 0.625 nan 8.230 nan 0.000 0.429 331 R N 1.706 122.272 120.500 0.111 0.000 2.716 331 R HA 0.512 4.855 4.340 0.005 0.000 0.271 331 R C -1.150 175.209 176.300 0.099 0.000 1.028 331 R CA -0.714 55.490 56.100 0.172 0.000 0.883 331 R CB 1.231 31.728 30.300 0.329 0.000 1.250 331 R HN 0.341 nan 8.270 nan 0.000 0.465 332 T N -0.744 113.886 114.554 0.126 0.000 2.824 332 T HA 0.724 5.077 4.350 0.005 0.000 0.280 332 T C 0.304 175.078 174.700 0.124 0.000 0.995 332 T CA -0.756 61.400 62.100 0.093 0.000 1.009 332 T CB 0.858 69.772 68.868 0.078 0.000 0.955 332 T HN 0.471 nan 8.240 nan 0.000 0.452 333 I N 2.543 123.166 120.570 0.089 0.000 2.439 333 I HA 0.474 4.647 4.170 0.005 0.000 0.285 333 I C -0.066 176.076 176.117 0.041 0.000 1.021 333 I CA -0.873 60.492 61.300 0.110 0.000 1.091 333 I CB 2.026 40.100 38.000 0.123 0.000 1.242 333 I HN 0.612 nan 8.210 nan 0.000 0.439 334 R N 5.825 126.324 120.500 -0.001 0.000 2.480 334 R HA 0.639 4.981 4.340 0.005 0.000 0.306 334 R C -1.603 174.487 176.300 -0.350 0.000 0.958 334 R CA -0.512 55.509 56.100 -0.132 0.000 0.861 334 R CB 1.872 32.107 30.300 -0.108 0.000 1.171 334 R HN 0.408 nan 8.270 nan 0.000 0.445 335 V N 5.450 125.007 119.914 -0.595 0.000 2.406 335 V HA 0.232 4.355 4.120 0.005 0.000 0.272 335 V C -0.196 175.245 176.094 -1.088 0.000 1.043 335 V CA -0.586 61.003 62.300 -1.184 0.000 0.915 335 V CB 1.470 32.166 31.823 -1.878 0.000 0.988 335 V HN 0.511 nan 8.190 nan 0.000 0.466 336 V N 5.625 124.838 119.914 -1.169 0.000 2.333 336 V HA 0.373 4.496 4.120 0.005 0.000 0.274 336 V C 0.342 175.937 176.094 -0.832 0.000 1.028 336 V CA -0.374 61.355 62.300 -0.952 0.000 0.851 336 V CB 1.021 32.124 31.823 -1.200 0.000 1.000 336 V HN 0.951 nan 8.190 nan 0.000 0.456 337 N N 4.524 122.899 118.700 -0.543 0.000 2.716 337 N HA 0.355 5.098 4.740 0.005 0.000 0.253 337 N C -0.907 174.550 175.510 -0.089 0.000 1.170 337 N CA -0.266 52.612 53.050 -0.286 0.000 0.807 337 N CB 1.165 39.464 38.487 -0.314 0.000 1.183 337 N HN 0.746 nan 8.380 nan 0.000 0.524 338 E N 1.420 121.603 120.200 -0.027 0.000 2.340 338 E HA 0.277 4.630 4.350 0.005 0.000 0.273 338 E C -0.901 175.739 176.600 0.066 0.000 0.891 338 E CA -0.815 55.593 56.400 0.014 0.000 0.757 338 E CB 2.463 32.162 29.700 -0.002 0.000 1.231 338 E HN 0.260 nan 8.360 nan 0.000 0.439 339 K N 2.192 122.634 120.400 0.070 0.000 2.485 339 K HA 0.061 4.384 4.320 0.005 0.000 0.277 339 K C -0.443 176.203 176.600 0.076 0.000 0.990 339 K CA 0.628 56.964 56.287 0.081 0.000 0.994 339 K CB 0.194 32.737 32.500 0.072 0.000 0.906 339 K HN 0.502 nan 8.250 nan 0.000 0.488 340 D N -0.105 120.345 120.400 0.082 0.000 2.692 340 D HA 0.024 4.667 4.640 0.005 0.000 0.303 340 D C 0.212 176.562 176.300 0.083 0.000 1.278 340 D CA -0.916 53.133 54.000 0.081 0.000 0.852 340 D CB 0.266 41.119 40.800 0.088 0.000 1.375 340 D HN 0.365 nan 8.370 nan 0.000 0.453 341 K N -0.812 119.639 120.400 0.085 0.000 2.280 341 K HA -0.102 4.221 4.320 0.005 0.000 0.202 341 K C 0.191 176.859 176.600 0.113 0.000 1.047 341 K CA 1.299 57.641 56.287 0.091 0.000 0.942 341 K CB -0.196 32.358 32.500 0.090 0.000 0.739 341 K HN 0.223 nan 8.250 nan 0.000 0.457 342 D N 0.042 120.514 120.400 0.121 0.000 2.354 342 D HA 0.106 4.749 4.640 0.005 0.000 0.209 342 D C 1.106 177.482 176.300 0.127 0.000 1.015 342 D CA 1.028 55.123 54.000 0.158 0.000 0.867 342 D CB 1.192 42.086 40.800 0.156 0.000 0.933 342 D HN 0.527 nan 8.370 nan 0.000 0.520 343 G N 0.706 109.566 108.800 0.099 0.000 1.732 343 G HA2 -0.107 3.856 3.960 0.005 0.000 0.054 343 G HA3 -0.107 3.856 3.960 0.005 0.000 0.054 343 G C -1.048 173.916 174.900 0.107 0.000 0.951 343 G CA -0.687 44.474 45.100 0.102 0.000 1.146 343 G HN 0.156 nan 8.290 nan 0.000 0.353 344 E N 1.034 121.306 120.200 0.120 0.000 2.281 344 E HA 0.517 4.870 4.350 0.005 0.000 0.266 344 E C -0.148 176.555 176.600 0.172 0.000 0.893 344 E CA -0.119 56.377 56.400 0.160 0.000 0.798 344 E CB 2.112 31.960 29.700 0.247 0.000 1.245 344 E HN 0.729 nan 8.360 nan 0.000 0.410 345 S N 2.172 117.965 115.700 0.154 0.000 2.580 345 S HA 0.331 4.804 4.470 0.005 0.000 0.266 345 S C -0.231 174.519 174.600 0.250 0.000 1.354 345 S CA -0.300 58.019 58.200 0.197 0.000 1.008 345 S CB 0.556 63.904 63.200 0.246 0.000 0.898 345 S HN 0.508 nan 8.310 nan 0.000 0.555 346 F N 2.985 122.998 119.950 0.105 0.000 3.164 346 F HA 0.491 5.021 4.527 0.005 0.000 0.375 346 F C -1.233 174.589 175.800 0.037 0.000 1.257 346 F CA -0.687 57.279 58.000 -0.057 0.000 1.171 346 F CB 0.737 39.746 39.000 0.015 0.000 1.588 346 F HN 0.825 nan 8.300 nan 0.000 0.604 347 Y N 2.040 122.091 120.300 -0.415 0.000 2.670 347 Y HA 0.758 5.311 4.550 0.004 0.000 0.334 347 Y C -2.136 173.482 175.900 -0.470 0.000 1.185 347 Y CA -2.360 55.640 58.100 -0.166 0.000 1.053 347 Y CB 1.069 39.583 38.460 0.090 0.000 1.298 347 Y HN 0.188 nan 8.280 nan 0.000 0.459 348 F N 1.204 121.192 119.950 0.064 0.000 2.436 348 F HA 0.480 5.010 4.527 0.004 0.000 0.340 348 F C -0.036 175.868 175.800 0.174 0.000 1.113 348 F CA -0.528 57.452 58.000 -0.033 0.000 1.022 348 F CB 1.909 40.917 39.000 0.012 0.000 1.128 348 F HN 0.526 nan 8.300 nan 0.000 0.466 349 E N 2.475 122.804 120.200 0.214 0.000 2.133 349 E HA 0.542 4.895 4.350 0.005 0.000 0.274 349 E C -1.454 175.305 176.600 0.265 0.000 0.930 349 E CA -0.536 56.030 56.400 0.277 0.000 0.770 349 E CB 1.567 31.368 29.700 0.168 0.000 1.104 349 E HN 0.355 nan 8.360 nan 0.000 0.403 350 V N 5.224 125.353 119.914 0.358 0.000 2.409 350 V HA 0.196 4.319 4.120 0.005 0.000 0.291 350 V C 0.012 176.321 176.094 0.359 0.000 1.020 350 V CA -0.965 61.551 62.300 0.360 0.000 0.848 350 V CB 1.518 33.570 31.823 0.382 0.000 0.990 350 V HN 0.835 nan 8.190 nan 0.000 0.430 351 N N 4.016 122.872 118.700 0.259 0.000 2.721 351 N HA -0.227 4.516 4.740 0.005 0.000 0.249 351 N C 1.206 176.802 175.510 0.142 0.000 1.072 351 N CA 1.496 54.661 53.050 0.191 0.000 0.710 351 N CB -0.996 37.610 38.487 0.198 0.000 0.993 351 N HN 1.544 nan 8.380 nan 0.000 0.547 352 G N -1.358 107.530 108.800 0.146 0.000 2.179 352 G HA2 -0.316 3.647 3.960 0.005 0.000 0.260 352 G HA3 -0.316 3.647 3.960 0.005 0.000 0.260 352 G C 0.068 175.046 174.900 0.129 0.000 0.977 352 G CA 0.506 45.675 45.100 0.115 0.000 0.641 352 G HN 0.511 nan 8.290 nan 0.000 0.533 353 I N 1.505 122.185 120.570 0.183 0.000 2.406 353 I HA 0.366 4.538 4.170 0.005 0.000 0.290 353 I C -2.368 173.976 176.117 0.378 0.000 0.999 353 I CA -2.704 58.702 61.300 0.177 0.000 1.124 353 I CB 2.281 40.247 38.000 -0.055 0.000 1.289 353 I HN -0.206 nan 8.210 nan 0.000 0.441 354 P HA 0.092 nan 4.420 nan 0.000 0.267 354 P C -0.753 176.837 177.300 0.484 0.000 1.209 354 P CA -0.009 63.307 63.100 0.360 0.000 0.763 354 P CB 0.478 32.237 31.700 0.098 0.000 0.816 355 M N 5.488 125.356 119.600 0.447 0.000 2.078 355 M HA 0.359 4.842 4.480 0.005 0.000 0.320 355 M C -1.084 175.332 176.300 0.194 0.000 0.969 355 M CA -1.142 54.307 55.300 0.248 0.000 0.929 355 M CB 0.432 32.964 32.600 -0.113 0.000 1.504 355 M HN 0.137 nan 8.290 nan 0.000 0.419 356 F N 4.504 124.491 119.950 0.062 0.000 2.533 356 F HA 0.400 4.929 4.527 0.004 0.000 0.378 356 F C 0.243 175.994 175.800 -0.081 0.000 1.070 356 F CA -0.110 57.909 58.000 0.033 0.000 1.172 356 F CB 0.488 39.495 39.000 0.011 0.000 1.085 356 F HN 0.676 nan 8.300 nan 0.000 0.552 357 A N 7.073 129.645 122.820 -0.414 0.000 2.450 357 A HA 0.399 4.722 4.320 0.005 0.000 0.255 357 A C -0.413 176.924 177.584 -0.413 0.000 1.096 357 A CA -0.440 51.404 52.037 -0.322 0.000 0.778 357 A CB 0.198 19.136 19.000 -0.103 0.000 1.031 357 A HN 0.817 nan 8.150 nan 0.000 0.494 358 K N 1.997 122.140 120.400 -0.428 0.000 2.579 358 K HA 0.595 4.918 4.320 0.005 0.000 0.250 358 K C 0.108 176.259 176.600 -0.748 0.000 0.952 358 K CA -0.031 55.735 56.287 -0.868 0.000 0.857 358 K CB 2.094 33.827 32.500 -1.279 0.000 1.123 358 K HN 1.047 nan 8.250 nan 0.000 0.433 359 G N 1.071 109.601 108.800 -0.450 0.000 2.474 359 G HA2 0.710 4.673 3.960 0.005 0.000 0.234 359 G HA3 0.710 4.673 3.960 0.005 0.000 0.234 359 G C -1.802 172.935 174.900 -0.271 0.000 1.204 359 G CA -0.153 44.810 45.100 -0.228 0.000 0.939 359 G HN 0.621 nan 8.290 nan 0.000 0.491 360 A N -0.868 121.691 122.820 -0.435 0.000 2.609 360 A HA 0.748 5.071 4.320 0.005 0.000 0.291 360 A C -1.190 176.098 177.584 -0.494 0.000 1.096 360 A CA -0.717 50.866 52.037 -0.756 0.000 0.684 360 A CB 1.128 19.403 19.000 -1.208 0.000 1.282 360 A HN 0.552 nan 8.150 nan 0.000 0.412 361 N N 0.786 119.148 118.700 -0.562 0.000 2.458 361 N HA 0.309 5.052 4.740 0.005 0.000 0.270 361 N C -1.481 173.662 175.510 -0.612 0.000 1.102 361 N CA 0.318 53.070 53.050 -0.498 0.000 0.967 361 N CB 1.271 39.429 38.487 -0.548 0.000 1.078 361 N HN 0.643 nan 8.380 nan 0.000 0.471 362 Y N 3.652 123.664 120.300 -0.479 0.000 2.341 362 Y HA 0.476 5.029 4.550 0.005 0.000 0.337 362 Y C -0.087 175.565 175.900 -0.414 0.000 1.014 362 Y CA -0.883 56.956 58.100 -0.435 0.000 1.111 362 Y CB 0.629 38.954 38.460 -0.226 0.000 1.194 362 Y HN 0.451 nan 8.280 nan 0.000 0.462 363 I N 3.822 123.672 120.570 -1.201 0.000 3.023 363 I HA 0.755 4.928 4.170 0.005 0.000 0.312 363 I C -2.782 172.551 176.117 -1.306 0.000 1.056 363 I CA -3.232 57.435 61.300 -1.055 0.000 1.033 363 I CB 1.852 39.086 38.000 -1.276 0.000 1.233 363 I HN 0.376 nan 8.210 nan 0.000 0.462 364 P HA 0.071 nan 4.420 nan 0.000 0.267 364 P C -0.564 176.443 177.300 -0.488 0.000 1.200 364 P CA 0.154 62.878 63.100 -0.627 0.000 0.772 364 P CB 0.432 31.658 31.700 -0.791 0.000 0.855 365 Q N 0.330 119.972 119.800 -0.263 0.000 2.451 365 Q HA 0.040 4.383 4.340 0.005 0.000 0.206 365 Q C 0.181 176.220 176.000 0.066 0.000 0.947 365 Q CA 0.851 56.559 55.803 -0.157 0.000 0.937 365 Q CB 0.284 28.925 28.738 -0.162 0.000 1.025 365 Q HN 0.504 nan 8.270 nan 0.000 0.511 366 D N -2.371 118.106 120.400 0.128 0.000 2.717 366 D HA 0.220 4.863 4.640 0.005 0.000 0.223 366 D C -0.419 176.073 176.300 0.319 0.000 1.240 366 D CA -0.064 54.114 54.000 0.297 0.000 0.801 366 D CB 1.530 42.523 40.800 0.322 0.000 1.556 366 D HN -0.062 nan 8.370 nan 0.000 0.462 367 A N 2.421 125.428 122.820 0.312 0.000 2.019 367 A HA 0.013 4.336 4.320 0.005 0.000 0.219 367 A C 0.990 178.619 177.584 0.076 0.000 1.164 367 A CA 1.003 53.148 52.037 0.180 0.000 0.644 367 A CB -0.125 18.937 19.000 0.104 0.000 0.805 367 A HN 0.468 nan 8.150 nan 0.000 0.449 368 L N 0.344 121.644 121.223 0.128 0.000 2.366 368 L HA 0.301 4.644 4.340 0.005 0.000 0.266 368 L C 0.606 177.560 176.870 0.140 0.000 1.010 368 L CA -0.525 54.346 54.840 0.053 0.000 0.879 368 L CB 1.337 43.386 42.059 -0.016 0.000 1.228 368 L HN 0.206 nan 8.230 nan 0.000 0.439 369 L N 3.023 124.353 121.223 0.178 0.000 2.013 369 L HA -0.160 4.183 4.340 0.005 0.000 0.212 369 L C -0.429 176.615 176.870 0.290 0.000 1.073 369 L CA 1.618 56.629 54.840 0.284 0.000 0.753 369 L CB -1.228 41.068 42.059 0.396 0.000 0.890 369 L HN 0.523 nan 8.230 nan 0.000 0.432 370 P HA -0.072 nan 4.420 nan 0.000 0.230 370 P C 0.777 178.163 177.300 0.143 0.000 1.158 370 P CA 0.932 64.142 63.100 0.183 0.000 0.769 370 P CB -0.087 31.677 31.700 0.108 0.000 0.807 371 N N -0.839 117.942 118.700 0.135 0.000 2.459 371 N HA -0.036 4.707 4.740 0.005 0.000 0.181 371 N C 0.063 175.655 175.510 0.136 0.000 1.046 371 N CA 0.441 53.563 53.050 0.121 0.000 0.904 371 N CB -0.506 38.054 38.487 0.120 0.000 0.964 371 N HN 0.028 nan 8.380 nan 0.000 0.444 372 V N 2.366 122.377 119.914 0.161 0.000 2.415 372 V HA 0.075 4.198 4.120 0.005 0.000 0.267 372 V C 0.876 177.104 176.094 0.225 0.000 1.042 372 V CA -0.394 61.981 62.300 0.126 0.000 1.000 372 V CB -0.052 31.785 31.823 0.024 0.000 1.015 372 V HN 0.232 nan 8.190 nan 0.000 0.478 373 T N 1.220 115.876 114.554 0.170 0.000 2.874 373 T HA 0.155 4.508 4.350 0.005 0.000 0.281 373 T C 1.387 176.261 174.700 0.290 0.000 0.994 373 T CA -0.013 62.203 62.100 0.193 0.000 1.015 373 T CB 1.182 70.122 68.868 0.120 0.000 1.028 373 T HN 0.536 nan 8.240 nan 0.000 0.523 374 T N 0.323 115.012 114.554 0.226 0.000 2.699 374 T HA -0.164 4.189 4.350 0.005 0.000 0.268 374 T C 1.721 176.539 174.700 0.197 0.000 1.036 374 T CA 1.862 64.085 62.100 0.204 0.000 1.147 374 T CB -0.459 68.472 68.868 0.105 0.000 0.862 374 T HN 0.850 nan 8.240 nan 0.000 0.446 375 E N 0.839 121.123 120.200 0.140 0.000 2.085 375 E HA -0.197 4.156 4.350 0.005 0.000 0.194 375 E C 2.391 179.055 176.600 0.107 0.000 0.994 375 E CA 1.068 57.531 56.400 0.106 0.000 0.801 375 E CB -0.029 29.716 29.700 0.075 0.000 0.743 375 E HN 0.423 nan 8.360 nan 0.000 0.453 376 R N -0.902 119.655 120.500 0.095 0.000 2.075 376 R HA -0.127 4.216 4.340 0.005 0.000 0.232 376 R C 2.345 178.667 176.300 0.037 0.000 1.126 376 R CA 1.627 57.739 56.100 0.021 0.000 0.963 376 R CB -0.347 29.923 30.300 -0.049 0.000 0.858 376 R HN 0.281 nan 8.270 nan 0.000 0.435 377 Y N 1.079 121.445 120.300 0.109 0.000 2.128 377 Y HA -0.260 4.293 4.550 0.005 0.000 0.284 377 Y C 2.531 178.534 175.900 0.172 0.000 1.154 377 Y CA 1.619 59.814 58.100 0.159 0.000 1.149 377 Y CB -0.224 38.334 38.460 0.162 0.000 0.976 377 Y HN 0.120 nan 8.280 nan 0.000 0.505 378 Q N -0.925 119.036 119.800 0.269 0.000 2.084 378 Q HA -0.175 4.168 4.340 0.005 0.000 0.202 378 Q C 2.166 178.261 176.000 0.159 0.000 0.978 378 Q CA 2.143 58.053 55.803 0.179 0.000 0.844 378 Q CB -0.325 28.479 28.738 0.111 0.000 0.898 378 Q HN 0.412 nan 8.270 nan 0.000 0.426 379 T N 1.039 115.662 114.554 0.115 0.000 2.777 379 T HA -0.112 4.241 4.350 0.005 0.000 0.266 379 T C 1.660 176.391 174.700 0.053 0.000 1.040 379 T CA 0.702 62.850 62.100 0.080 0.000 1.141 379 T CB -0.184 68.716 68.868 0.054 0.000 0.868 379 T HN 0.083 nan 8.240 nan 0.000 0.444 380 L N 0.461 121.688 121.223 0.008 0.000 2.046 380 L HA 0.063 4.406 4.340 0.005 0.000 0.208 380 L C 1.876 178.602 176.870 -0.240 0.000 1.077 380 L CA 1.616 56.376 54.840 -0.134 0.000 0.747 380 L CB -0.875 41.077 42.059 -0.178 0.000 0.896 380 L HN 0.200 nan 8.230 nan 0.000 0.432 381 F N -0.441 119.449 119.950 -0.100 0.000 2.186 381 F HA -0.152 4.377 4.527 0.005 0.000 0.299 381 F C 2.721 178.492 175.800 -0.049 0.000 1.090 381 F CA 1.576 59.500 58.000 -0.127 0.000 1.307 381 F CB -0.445 38.450 39.000 -0.175 0.000 1.019 381 F HN 0.063 nan 8.300 nan 0.000 0.489 382 R N 0.660 121.251 120.500 0.151 0.000 2.103 382 R HA -0.192 4.151 4.340 0.005 0.000 0.242 382 R C 1.702 178.097 176.300 0.158 0.000 1.142 382 R CA 2.154 58.336 56.100 0.136 0.000 0.960 382 R CB -0.429 29.947 30.300 0.126 0.000 0.858 382 R HN 0.162 nan 8.270 nan 0.000 0.439 383 D N 0.185 120.656 120.400 0.118 0.000 2.144 383 D HA -0.168 4.475 4.640 0.005 0.000 0.199 383 D C 1.974 178.316 176.300 0.070 0.000 0.984 383 D CA 1.558 55.626 54.000 0.114 0.000 0.834 383 D CB -0.128 40.573 40.800 -0.166 0.000 0.955 383 D HN 0.397 nan 8.370 nan 0.000 0.465 384 M N 0.200 119.773 119.600 -0.045 0.000 2.123 384 M HA -0.079 4.404 4.480 0.005 0.000 0.263 384 M C 2.253 178.562 176.300 0.014 0.000 1.069 384 M CA 1.001 56.269 55.300 -0.054 0.000 1.133 384 M CB -0.172 32.303 32.600 -0.208 0.000 1.356 384 M HN -0.145 nan 8.290 nan 0.000 0.415 385 K N 0.997 121.426 120.400 0.048 0.000 2.032 385 K HA -0.183 4.140 4.320 0.005 0.000 0.209 385 K C 1.684 178.342 176.600 0.097 0.000 1.048 385 K CA 1.631 57.957 56.287 0.064 0.000 0.927 385 K CB -0.004 32.543 32.500 0.078 0.000 0.712 385 K HN 0.381 nan 8.250 nan 0.000 0.441 386 E N -0.503 119.795 120.200 0.163 0.000 2.204 386 E HA -0.118 4.235 4.350 0.005 0.000 0.194 386 E C 1.266 177.998 176.600 0.221 0.000 0.989 386 E CA 0.699 57.238 56.400 0.232 0.000 0.824 386 E CB 0.068 29.989 29.700 0.367 0.000 0.756 386 E HN 0.327 nan 8.360 nan 0.000 0.477 387 A N 1.238 124.133 122.820 0.125 0.000 2.327 387 A HA -0.000 4.323 4.320 0.005 0.000 0.228 387 A C 0.205 177.856 177.584 0.111 0.000 1.275 387 A CA -0.120 51.914 52.037 -0.006 0.000 0.875 387 A CB -0.163 18.610 19.000 -0.378 0.000 0.925 387 A HN 0.205 nan 8.150 nan 0.000 0.493 388 N N -1.313 117.447 118.700 0.100 0.000 2.782 388 N HA -0.155 4.588 4.740 0.005 0.000 0.251 388 N C -0.188 175.324 175.510 0.002 0.000 1.101 388 N CA 1.297 54.394 53.050 0.079 0.000 0.764 388 N CB -1.707 36.860 38.487 0.133 0.000 1.122 388 N HN 0.645 nan 8.380 nan 0.000 0.561 389 M N 0.765 120.356 119.600 -0.014 0.000 2.243 389 M HA 0.084 4.567 4.480 0.005 0.000 0.341 389 M C 1.384 177.576 176.300 -0.181 0.000 1.130 389 M CA 0.396 55.605 55.300 -0.151 0.000 1.162 389 M CB 0.314 32.849 32.600 -0.109 0.000 1.497 389 M HN 0.153 nan 8.290 nan 0.000 0.456 390 N N 1.307 119.856 118.700 -0.252 0.000 2.160 390 N HA 0.300 5.043 4.740 0.005 0.000 0.226 390 N C -0.635 174.765 175.510 -0.183 0.000 1.256 390 N CA -0.251 52.667 53.050 -0.220 0.000 0.890 390 N CB 0.765 39.069 38.487 -0.305 0.000 1.116 390 N HN 0.721 nan 8.380 nan 0.000 0.517 391 M N 0.187 119.675 119.600 -0.186 0.000 2.465 391 M HA 0.517 5.000 4.480 0.005 0.000 0.284 391 M C -2.161 174.064 176.300 -0.125 0.000 1.212 391 M CA -0.911 54.303 55.300 -0.143 0.000 0.910 391 M CB 2.448 34.942 32.600 -0.178 0.000 1.725 391 M HN -0.173 nan 8.290 nan 0.000 0.477 392 V N 3.744 123.620 119.914 -0.063 0.000 2.760 392 V HA 0.654 4.777 4.120 0.005 0.000 0.309 392 V C -1.471 174.624 176.094 0.001 0.000 1.077 392 V CA -0.617 61.639 62.300 -0.074 0.000 0.910 392 V CB 2.320 34.086 31.823 -0.096 0.000 1.008 392 V HN 0.976 nan 8.190 nan 0.000 0.424 393 R N 6.110 126.564 120.500 -0.077 0.000 2.229 393 R HA 0.550 4.893 4.340 0.005 0.000 0.328 393 R C -0.798 175.509 176.300 0.012 0.000 1.009 393 R CA -0.536 55.502 56.100 -0.104 0.000 0.864 393 R CB 0.879 30.905 30.300 -0.456 0.000 1.085 393 R HN 0.778 nan 8.270 nan 0.000 0.453 394 I N 6.081 126.696 120.570 0.074 0.000 2.278 394 I HA 0.078 4.251 4.170 0.005 0.000 0.296 394 I C -0.020 176.180 176.117 0.138 0.000 1.121 394 I CA -0.479 60.867 61.300 0.078 0.000 1.267 394 I CB 0.093 38.037 38.000 -0.093 0.000 1.447 394 I HN 0.619 nan 8.210 nan 0.000 0.509 395 W N 6.088 127.367 121.300 -0.034 0.000 2.181 395 W HA 0.283 4.945 4.660 0.005 0.000 0.335 395 W C 1.321 177.826 176.519 -0.023 0.000 1.310 395 W CA -0.433 56.928 57.345 0.027 0.000 1.226 395 W CB 0.933 30.489 29.460 0.161 0.000 1.155 395 W HN 0.565 nan 8.180 nan 0.000 0.565 396 G N 2.971 111.411 108.800 -0.600 0.000 2.708 396 G HA2 -0.008 3.955 3.960 0.005 0.000 0.210 396 G HA3 -0.008 3.955 3.960 0.005 0.000 0.210 396 G C 0.964 175.268 174.900 -0.993 0.000 1.141 396 G CA 0.401 45.101 45.100 -0.667 0.000 0.788 396 G HN 0.863 nan 8.290 nan 0.000 0.531 397 G N -0.574 107.058 108.800 -1.947 0.000 3.337 397 G HA2 0.453 4.416 3.960 0.005 0.000 0.246 397 G HA3 0.453 4.416 3.960 0.005 0.000 0.246 397 G C 0.791 175.368 174.900 -0.538 0.000 1.131 397 G CA 0.603 44.831 45.100 -1.454 0.000 0.773 397 G HN 0.500 nan 8.290 nan 0.000 0.544 398 G N 0.181 108.762 108.800 -0.364 0.000 3.434 398 G HA2 0.525 4.488 3.960 0.005 0.000 0.192 398 G HA3 0.525 4.488 3.960 0.005 0.000 0.192 398 G C 0.122 174.971 174.900 -0.084 0.000 1.704 398 G CA 0.596 45.596 45.100 -0.167 0.000 0.936 398 G HN 0.628 nan 8.290 nan 0.000 0.623 399 T N -2.969 111.538 114.554 -0.078 0.000 2.901 399 T HA 0.553 4.906 4.350 0.005 0.000 0.293 399 T C -1.197 173.422 174.700 -0.135 0.000 1.084 399 T CA -0.735 61.378 62.100 0.022 0.000 1.008 399 T CB 1.499 70.592 68.868 0.375 0.000 1.170 399 T HN 0.284 nan 8.240 nan 0.000 0.509 400 Y N 1.667 122.002 120.300 0.058 0.000 2.605 400 Y HA 0.273 4.826 4.550 0.005 0.000 0.336 400 Y C 1.470 177.511 175.900 0.235 0.000 1.111 400 Y CA -0.329 57.836 58.100 0.109 0.000 1.422 400 Y CB 0.177 38.701 38.460 0.107 0.000 1.193 400 Y HN 0.527 nan 8.280 nan 0.000 0.526 401 E N 2.656 123.034 120.200 0.296 0.000 2.410 401 E HA -0.028 4.325 4.350 0.005 0.000 0.255 401 E C 0.023 176.848 176.600 0.375 0.000 1.194 401 E CA -0.254 56.259 56.400 0.189 0.000 0.955 401 E CB 0.424 29.815 29.700 -0.514 0.000 0.988 401 E HN 0.739 nan 8.360 nan 0.000 0.461 402 N N 1.019 119.861 118.700 0.238 0.000 2.354 402 N HA -0.023 4.720 4.740 0.005 0.000 0.246 402 N C 0.513 176.130 175.510 0.179 0.000 1.285 402 N CA -0.212 52.922 53.050 0.139 0.000 0.925 402 N CB 0.217 38.709 38.487 0.008 0.000 1.174 402 N HN 0.207 nan 8.380 nan 0.000 0.478 403 N N -0.410 118.351 118.700 0.102 0.000 2.166 403 N HA -0.129 4.614 4.740 0.005 0.000 0.186 403 N C 1.462 177.016 175.510 0.074 0.000 1.019 403 N CA 0.624 53.758 53.050 0.140 0.000 0.856 403 N CB -0.556 37.987 38.487 0.094 0.000 0.993 403 N HN 0.556 nan 8.380 nan 0.000 0.426 404 L N 0.525 121.706 121.223 -0.070 0.000 2.042 404 L HA -0.106 4.237 4.340 0.005 0.000 0.210 404 L C 2.072 178.799 176.870 -0.239 0.000 1.076 404 L CA 1.383 56.114 54.840 -0.182 0.000 0.749 404 L CB -0.977 40.894 42.059 -0.314 0.000 0.893 404 L HN 0.087 nan 8.230 nan 0.000 0.432 405 F N -0.813 118.889 119.950 -0.414 0.000 2.091 405 F HA -0.352 4.178 4.527 0.005 0.000 0.299 405 F C 2.067 177.541 175.800 -0.543 0.000 1.103 405 F CA 2.061 59.851 58.000 -0.350 0.000 1.228 405 F CB -0.388 38.430 39.000 -0.303 0.000 0.984 405 F HN 0.178 nan 8.300 nan 0.000 0.477 406 Y N 0.270 120.521 120.300 -0.082 0.000 2.263 406 Y HA -0.187 4.365 4.550 0.005 0.000 0.292 406 Y C 2.337 177.949 175.900 -0.479 0.000 1.130 406 Y CA 1.149 58.990 58.100 -0.430 0.000 1.179 406 Y CB -0.846 36.993 38.460 -1.034 0.000 0.998 406 Y HN 0.044 nan 8.280 nan 0.000 0.532 407 D N 0.268 120.572 120.400 -0.160 0.000 2.123 407 D HA -0.173 4.470 4.640 0.005 0.000 0.196 407 D C 2.118 178.270 176.300 -0.247 0.000 0.992 407 D CA 1.326 55.293 54.000 -0.054 0.000 0.833 407 D CB -0.371 40.422 40.800 -0.012 0.000 0.954 407 D HN 0.313 nan 8.370 nan 0.000 0.455 408 L N 0.381 121.272 121.223 -0.554 0.000 2.109 408 L HA -0.057 4.286 4.340 0.005 0.000 0.207 408 L C 2.533 178.781 176.870 -1.036 0.000 1.086 408 L CA 0.868 55.182 54.840 -0.877 0.000 0.760 408 L CB -0.352 40.906 42.059 -1.336 0.000 0.910 408 L HN -0.044 nan 8.230 nan 0.000 0.437 409 A N 0.218 122.360 122.820 -1.129 0.000 1.883 409 A HA -0.261 4.062 4.320 0.005 0.000 0.217 409 A C 1.914 179.467 177.584 -0.051 0.000 1.186 409 A CA 2.134 53.907 52.037 -0.440 0.000 0.624 409 A CB -0.611 18.263 19.000 -0.210 0.000 0.822 409 A HN 0.361 nan 8.150 nan 0.000 0.444 410 D N -0.077 120.318 120.400 -0.009 0.000 2.106 410 D HA -0.200 4.443 4.640 0.005 0.000 0.191 410 D C 1.961 178.466 176.300 0.343 0.000 0.997 410 D CA 1.817 55.956 54.000 0.231 0.000 0.834 410 D CB -0.521 40.370 40.800 0.152 0.000 0.956 410 D HN 0.888 nan 8.370 nan 0.000 0.448 411 E N -0.119 120.137 120.200 0.094 0.000 2.435 411 E HA -0.021 4.332 4.350 0.005 0.000 0.195 411 E C 1.067 177.672 176.600 0.009 0.000 1.029 411 E CA 0.435 56.874 56.400 0.066 0.000 0.865 411 E CB -0.092 29.611 29.700 0.006 0.000 0.833 411 E HN 0.160 nan 8.360 nan 0.000 0.510 412 N N 0.749 119.440 118.700 -0.014 0.000 2.236 412 N HA 0.051 4.794 4.740 0.005 0.000 0.196 412 N C 0.552 176.047 175.510 -0.025 0.000 1.114 412 N CA 0.706 53.752 53.050 -0.007 0.000 0.859 412 N CB 1.209 39.723 38.487 0.045 0.000 0.982 412 N HN 0.366 nan 8.380 nan 0.000 0.493 413 G N 1.703 110.498 108.800 -0.008 0.000 2.246 413 G HA2 -0.223 3.740 3.960 0.005 0.000 0.273 413 G HA3 -0.223 3.740 3.960 0.005 0.000 0.273 413 G C -0.249 174.633 174.900 -0.029 0.000 1.055 413 G CA -0.139 44.820 45.100 -0.235 0.000 0.851 413 G HN 0.196 nan 8.290 nan 0.000 0.500 414 I N 0.349 121.025 120.570 0.178 0.000 2.339 414 I HA 0.410 4.583 4.170 0.005 0.000 0.290 414 I C 0.755 176.993 176.117 0.202 0.000 0.994 414 I CA -1.504 59.869 61.300 0.122 0.000 1.191 414 I CB 1.183 39.261 38.000 0.131 0.000 1.343 414 I HN -0.058 nan 8.210 nan 0.000 0.458 415 L N 6.775 128.079 121.223 0.135 0.000 2.461 415 L HA 0.175 4.518 4.340 0.005 0.000 0.272 415 L C 0.172 177.071 176.870 0.048 0.000 1.197 415 L CA 0.336 55.230 54.840 0.090 0.000 0.836 415 L CB 0.663 42.689 42.059 -0.055 0.000 1.105 415 L HN 0.247 nan 8.230 nan 0.000 0.477 416 V N 2.269 122.221 119.914 0.064 0.000 2.409 416 V HA 0.236 4.359 4.120 0.005 0.000 0.291 416 V C -0.794 175.380 176.094 0.133 0.000 1.020 416 V CA -0.731 61.634 62.300 0.108 0.000 0.848 416 V CB 1.545 33.456 31.823 0.147 0.000 0.990 416 V HN 0.702 nan 8.190 nan 0.000 0.430 417 W N 5.919 127.205 121.300 -0.023 0.000 2.342 417 W HA 0.522 5.185 4.660 0.005 0.000 0.310 417 W C -0.438 176.060 176.519 -0.035 0.000 1.128 417 W CA -0.958 56.400 57.345 0.021 0.000 1.322 417 W CB 1.360 30.889 29.460 0.115 0.000 1.251 417 W HN 0.627 nan 8.180 nan 0.000 0.439 418 Q N 4.831 124.715 119.800 0.138 0.000 2.398 418 Q HA 0.200 4.543 4.340 0.005 0.000 0.251 418 Q C -0.755 175.312 176.000 0.111 0.000 0.999 418 Q CA -0.127 55.662 55.803 -0.023 0.000 0.874 418 Q CB 0.504 28.908 28.738 -0.558 0.000 1.215 418 Q HN 0.287 nan 8.270 nan 0.000 0.470 419 D N 2.952 123.496 120.400 0.239 0.000 2.399 419 D HA 0.102 4.745 4.640 0.005 0.000 0.241 419 D C -0.313 176.039 176.300 0.087 0.000 1.133 419 D CA 0.226 54.364 54.000 0.230 0.000 0.890 419 D CB 0.374 41.268 40.800 0.156 0.000 1.201 419 D HN 0.405 nan 8.370 nan 0.000 0.432 420 F N 0.693 120.871 119.950 0.381 0.000 2.440 420 F HA 0.095 4.625 4.527 0.005 0.000 0.323 420 F C 1.477 177.236 175.800 -0.068 0.000 1.192 420 F CA -0.286 57.917 58.000 0.339 0.000 1.252 420 F CB 0.366 39.738 39.000 0.621 0.000 1.214 420 F HN 0.054 nan 8.300 nan 0.000 0.578 421 M N 3.492 122.874 119.600 -0.363 0.000 3.586 421 M HA 0.204 4.687 4.480 0.005 0.000 0.225 421 M C -1.522 174.188 176.300 -0.983 0.000 1.428 421 M CA 0.287 55.115 55.300 -0.788 0.000 1.613 421 M CB -1.577 30.296 32.600 -1.212 0.000 1.063 421 M HN 0.285 nan 8.290 nan 0.000 0.593 422 F N 0.548 120.427 119.950 -0.118 0.000 2.557 422 F HA 0.708 5.237 4.527 0.005 0.000 0.316 422 F C -0.159 175.670 175.800 0.048 0.000 1.141 422 F CA -1.009 56.920 58.000 -0.118 0.000 0.922 422 F CB 1.833 40.815 39.000 -0.030 0.000 1.194 422 F HN 0.322 nan 8.300 nan 0.000 0.443 423 A N 1.523 124.602 122.820 0.432 0.000 2.429 423 A HA 0.633 4.956 4.320 0.005 0.000 0.289 423 A C 0.164 178.069 177.584 0.534 0.000 1.043 423 A CA -0.579 51.649 52.037 0.318 0.000 0.722 423 A CB 0.658 19.640 19.000 -0.029 0.000 1.243 423 A HN 1.100 nan 8.150 nan 0.000 0.415 424 C N 0.056 119.622 119.300 0.444 0.000 5.880 424 C HA -0.160 4.303 4.460 0.005 0.000 0.324 424 C C 1.180 176.399 174.990 0.382 0.000 2.398 424 C CA 1.569 60.856 59.018 0.448 0.000 2.160 424 C CB -2.004 26.080 27.740 0.574 0.000 3.197 424 C HN 1.395 nan 8.230 nan 0.000 0.289 425 T N 2.882 117.619 114.554 0.306 0.000 2.895 425 T HA 0.576 4.929 4.350 0.005 0.000 0.283 425 T C -2.505 172.319 174.700 0.207 0.000 1.014 425 T CA -1.369 60.842 62.100 0.185 0.000 1.037 425 T CB 1.772 70.590 68.868 -0.084 0.000 1.006 425 T HN 0.261 nan 8.240 nan 0.000 0.468 426 P HA 0.155 nan 4.420 nan 0.000 0.269 426 P C -1.248 176.111 177.300 0.100 0.000 1.217 426 P CA 0.024 63.324 63.100 0.333 0.000 0.783 426 P CB 0.391 32.271 31.700 0.300 0.000 0.898 427 Y N -0.005 120.383 120.300 0.147 0.000 2.598 427 Y HA 0.436 4.989 4.550 0.005 0.000 0.340 427 Y C -1.684 174.051 175.900 -0.274 0.000 1.038 427 Y CA -2.285 55.696 58.100 -0.199 0.000 1.100 427 Y CB 0.946 39.460 38.460 0.090 0.000 1.281 427 Y HN 0.267 nan 8.280 nan 0.000 0.488 428 P HA 0.076 nan 4.420 nan 0.000 0.271 428 P C -0.410 176.792 177.300 -0.164 0.000 1.244 428 P CA 0.128 62.999 63.100 -0.381 0.000 0.793 428 P CB 0.560 31.798 31.700 -0.770 0.000 0.984 429 S N -2.664 113.038 115.700 0.003 0.000 3.093 429 S HA 0.104 4.577 4.470 0.005 0.000 0.251 429 S C -0.031 174.609 174.600 0.066 0.000 0.905 429 S CA -0.704 57.530 58.200 0.056 0.000 1.124 429 S CB -0.672 62.494 63.200 -0.056 0.000 1.124 429 S HN 0.507 nan 8.310 nan 0.000 0.574 430 D N 1.585 122.054 120.400 0.116 0.000 2.360 430 D HA 0.190 4.832 4.640 0.005 0.000 0.242 430 D C -2.002 174.367 176.300 0.116 0.000 1.184 430 D CA -1.167 52.895 54.000 0.104 0.000 0.930 430 D CB 0.706 41.574 40.800 0.113 0.000 1.161 430 D HN -0.070 nan 8.370 nan 0.000 0.447 431 P HA -0.145 nan 4.420 nan 0.000 0.215 431 P C 1.465 178.801 177.300 0.060 0.000 1.157 431 P CA 1.716 64.842 63.100 0.044 0.000 0.874 431 P CB -0.004 31.712 31.700 0.028 0.000 0.790 432 T N -1.126 113.483 114.554 0.092 0.000 2.684 432 T HA -0.177 4.175 4.350 0.005 0.000 0.267 432 T C 1.471 176.251 174.700 0.133 0.000 1.036 432 T CA 1.144 63.304 62.100 0.101 0.000 1.148 432 T CB -0.997 67.944 68.868 0.121 0.000 0.863 432 T HN 0.011 nan 8.240 nan 0.000 0.436 433 F N 1.573 121.551 119.950 0.047 0.000 2.102 433 F HA 0.001 4.531 4.527 0.005 0.000 0.298 433 F C 1.898 177.707 175.800 0.015 0.000 1.105 433 F CA 1.135 59.172 58.000 0.062 0.000 1.239 433 F CB -0.409 38.640 39.000 0.081 0.000 0.991 433 F HN 0.064 nan 8.300 nan 0.000 0.474 434 L N -0.616 120.615 121.223 0.015 0.000 2.201 434 L HA -0.182 4.161 4.340 0.005 0.000 0.212 434 L C 2.535 179.308 176.870 -0.162 0.000 1.105 434 L CA 0.983 55.742 54.840 -0.136 0.000 0.775 434 L CB -0.873 41.129 42.059 -0.095 0.000 0.913 434 L HN -0.089 nan 8.230 nan 0.000 0.440 435 K N 0.089 120.432 120.400 -0.094 0.000 2.057 435 K HA -0.107 4.215 4.320 0.005 0.000 0.206 435 K C 2.209 178.744 176.600 -0.108 0.000 1.050 435 K CA 1.238 57.475 56.287 -0.083 0.000 0.935 435 K CB -0.288 32.192 32.500 -0.033 0.000 0.715 435 K HN 0.363 nan 8.250 nan 0.000 0.439 436 R N -0.249 120.175 120.500 -0.126 0.000 2.083 436 R HA -0.089 4.253 4.340 0.005 0.000 0.237 436 R C 2.341 178.532 176.300 -0.183 0.000 1.137 436 R CA 1.822 57.840 56.100 -0.137 0.000 0.951 436 R CB -0.656 29.549 30.300 -0.158 0.000 0.851 436 R HN 0.158 nan 8.270 nan 0.000 0.434 437 V N 0.883 120.618 119.914 -0.299 0.000 2.343 437 V HA -0.245 3.878 4.120 0.005 0.000 0.247 437 V C 2.259 178.235 176.094 -0.196 0.000 1.051 437 V CA 1.955 64.119 62.300 -0.227 0.000 1.036 437 V CB -0.509 31.136 31.823 -0.297 0.000 0.654 437 V HN 0.408 nan 8.190 nan 0.000 0.451 438 E N 0.321 120.394 120.200 -0.212 0.000 2.085 438 E HA -0.263 4.090 4.350 0.005 0.000 0.194 438 E C 2.250 178.740 176.600 -0.184 0.000 0.994 438 E CA 1.473 57.750 56.400 -0.204 0.000 0.801 438 E CB -0.241 29.360 29.700 -0.166 0.000 0.743 438 E HN 0.569 nan 8.360 nan 0.000 0.453 439 A N 1.726 124.460 122.820 -0.143 0.000 1.865 439 A HA -0.297 4.026 4.320 0.005 0.000 0.217 439 A C 2.107 179.615 177.584 -0.126 0.000 1.191 439 A CA 2.052 54.012 52.037 -0.128 0.000 0.623 439 A CB -0.857 18.085 19.000 -0.098 0.000 0.826 439 A HN 0.596 nan 8.150 nan 0.000 0.444 440 E N -0.006 120.134 120.200 -0.099 0.000 2.106 440 E HA -0.050 4.302 4.350 0.005 0.000 0.192 440 E C 1.995 178.507 176.600 -0.147 0.000 0.984 440 E CA 1.174 57.536 56.400 -0.064 0.000 0.806 440 E CB -0.365 29.367 29.700 0.054 0.000 0.750 440 E HN 0.472 nan 8.360 nan 0.000 0.458 441 A N 1.378 124.098 122.820 -0.166 0.000 1.873 441 A HA -0.076 4.247 4.320 0.005 0.000 0.215 441 A C 2.512 179.905 177.584 -0.318 0.000 1.186 441 A CA 1.420 53.343 52.037 -0.190 0.000 0.616 441 A CB -0.811 18.001 19.000 -0.312 0.000 0.823 441 A HN 0.198 nan 8.150 nan 0.000 0.442 442 V N -1.171 118.511 119.914 -0.387 0.000 2.287 442 V HA -0.305 3.817 4.120 0.005 0.000 0.248 442 V C 2.380 178.203 176.094 -0.452 0.000 1.053 442 V CA 2.310 64.237 62.300 -0.621 0.000 1.027 442 V CB -1.035 30.405 31.823 -0.638 0.000 0.646 442 V HN 0.717 nan 8.190 nan 0.000 0.447 443 Y N 1.636 121.707 120.300 -0.381 0.000 2.114 443 Y HA -0.213 4.340 4.550 0.005 0.000 0.284 443 Y C 2.538 178.272 175.900 -0.277 0.000 1.143 443 Y CA 2.119 60.038 58.100 -0.301 0.000 1.135 443 Y CB -0.379 37.926 38.460 -0.258 0.000 0.980 443 Y HN 0.277 nan 8.280 nan 0.000 0.499 444 N N 0.283 118.772 118.700 -0.350 0.000 2.300 444 N HA -0.112 4.631 4.740 0.005 0.000 0.179 444 N C 1.962 177.321 175.510 -0.253 0.000 1.016 444 N CA 1.566 54.378 53.050 -0.396 0.000 0.876 444 N CB -0.158 38.025 38.487 -0.507 0.000 0.979 444 N HN 0.432 nan 8.380 nan 0.000 0.432 445 I N 1.438 121.830 120.570 -0.296 0.000 2.163 445 I HA -0.246 3.927 4.170 0.005 0.000 0.243 445 I C 2.395 178.368 176.117 -0.239 0.000 1.085 445 I CA 1.203 62.366 61.300 -0.227 0.000 1.347 445 I CB -0.143 37.599 38.000 -0.430 0.000 1.044 445 I HN 0.029 nan 8.210 nan 0.000 0.408 446 R N 0.097 120.375 120.500 -0.370 0.000 2.120 446 R HA -0.154 4.189 4.340 0.005 0.000 0.234 446 R C 2.430 178.519 176.300 -0.352 0.000 1.123 446 R CA 1.084 56.972 56.100 -0.354 0.000 0.975 446 R CB -0.344 29.759 30.300 -0.329 0.000 0.866 446 R HN 0.312 nan 8.270 nan 0.000 0.446 447 R N 0.914 121.146 120.500 -0.448 0.000 2.081 447 R HA -0.088 4.255 4.340 0.005 0.000 0.235 447 R C 1.700 177.826 176.300 -0.290 0.000 1.131 447 R CA 1.345 57.191 56.100 -0.423 0.000 0.960 447 R CB -0.005 29.927 30.300 -0.613 0.000 0.856 447 R HN 0.194 nan 8.270 nan 0.000 0.436 448 L N 0.399 121.475 121.223 -0.245 0.000 2.554 448 L HA 0.149 4.491 4.340 0.005 0.000 0.225 448 L C 2.067 178.858 176.870 -0.131 0.000 1.104 448 L CA 0.036 54.761 54.840 -0.192 0.000 0.866 448 L CB -0.061 41.770 42.059 -0.379 0.000 1.047 448 L HN 0.171 nan 8.230 nan 0.000 0.468 449 R N -0.357 120.047 120.500 -0.160 0.000 2.328 449 R HA -0.022 4.321 4.340 0.005 0.000 0.207 449 R C 0.939 177.130 176.300 -0.181 0.000 1.056 449 R CA 0.782 56.805 56.100 -0.128 0.000 1.016 449 R CB -0.483 29.685 30.300 -0.222 0.000 0.872 449 R HN 0.328 nan 8.270 nan 0.000 0.471 450 N N 0.522 118.996 118.700 -0.377 0.000 2.336 450 N HA -0.011 4.732 4.740 0.005 0.000 0.189 450 N C -0.452 174.760 175.510 -0.497 0.000 1.113 450 N CA 0.198 52.942 53.050 -0.510 0.000 0.858 450 N CB 0.159 38.063 38.487 -0.971 0.000 0.970 450 N HN 0.321 nan 8.380 nan 0.000 0.471 451 H N 0.519 119.421 119.070 -0.281 0.000 2.690 451 H HA 0.190 4.749 4.556 0.005 0.000 0.314 451 H C 1.066 176.203 175.328 -0.318 0.000 1.069 451 H CA -0.233 55.667 56.048 -0.246 0.000 1.436 451 H CB 1.556 31.224 29.762 -0.158 0.000 1.462 451 H HN 0.057 nan 8.280 nan 0.000 0.511 452 A N 3.453 126.073 122.820 -0.333 0.000 1.958 452 A HA -0.258 4.065 4.320 0.005 0.000 0.221 452 A C 2.410 179.504 177.584 -0.816 0.000 1.178 452 A CA 2.242 53.830 52.037 -0.749 0.000 0.642 452 A CB -0.595 17.616 19.000 -1.315 0.000 0.816 452 A HN 0.748 nan 8.150 nan 0.000 0.453 453 S N -0.996 114.428 115.700 -0.460 0.000 2.423 453 S HA 0.030 4.503 4.470 0.005 0.000 0.231 453 S C 0.748 175.286 174.600 -0.103 0.000 1.014 453 S CA 0.596 58.670 58.200 -0.209 0.000 0.965 453 S CB -0.724 62.486 63.200 0.015 0.000 0.785 453 S HN 0.464 nan 8.310 nan 0.000 0.495 454 L N 1.830 122.995 121.223 -0.096 0.000 2.477 454 L HA 0.518 4.861 4.340 0.005 0.000 0.272 454 L C 0.830 177.636 176.870 -0.107 0.000 1.157 454 L CA 0.282 55.056 54.840 -0.109 0.000 0.889 454 L CB 0.469 42.424 42.059 -0.174 0.000 1.158 454 L HN 0.206 nan 8.230 nan 0.000 0.473 455 A N 6.417 129.198 122.820 -0.066 0.000 2.070 455 A HA 0.476 4.799 4.320 0.005 0.000 0.202 455 A C 0.397 178.032 177.584 0.085 0.000 1.277 455 A CA 0.815 52.884 52.037 0.053 0.000 0.872 455 A CB 0.079 19.153 19.000 0.123 0.000 0.933 455 A HN 0.779 nan 8.150 nan 0.000 0.475 456 M N -4.508 115.060 119.600 -0.052 0.000 2.790 456 M HA 0.608 5.091 4.480 0.005 0.000 0.272 456 M C -2.307 173.823 176.300 -0.283 0.000 1.168 456 M CA -0.662 54.605 55.300 -0.055 0.000 0.829 456 M CB 0.901 33.523 32.600 0.036 0.000 1.675 456 M HN 0.066 nan 8.290 nan 0.000 0.505 457 W N 0.603 121.862 121.300 -0.069 0.000 2.689 457 W HA 0.780 5.443 4.660 0.005 0.000 0.340 457 W C -1.103 175.331 176.519 -0.143 0.000 1.060 457 W CA -0.395 56.910 57.345 -0.066 0.000 1.218 457 W CB 2.077 31.611 29.460 0.123 0.000 1.410 457 W HN 0.881 nan 8.180 nan 0.000 0.528 458 C N 2.091 121.519 119.300 0.214 0.000 2.481 458 C HA 0.580 5.043 4.460 0.005 0.000 0.324 458 C C 1.436 176.644 174.990 0.363 0.000 1.170 458 C CA 0.022 59.084 59.018 0.074 0.000 1.361 458 C CB 0.412 28.316 27.740 0.273 0.000 1.977 458 C HN 0.988 nan 8.230 nan 0.000 0.459 459 G N 4.064 112.984 108.800 0.200 0.000 2.442 459 G HA2 0.048 4.011 3.960 0.005 0.000 0.219 459 G HA3 0.048 4.011 3.960 0.005 0.000 0.219 459 G C 0.272 175.453 174.900 0.467 0.000 1.141 459 G CA 1.397 46.861 45.100 0.607 0.000 0.763 459 G HN 1.132 nan 8.290 nan 0.000 0.554 460 N N -2.655 116.137 118.700 0.154 0.000 3.185 460 N HA 0.177 4.920 4.740 0.005 0.000 0.238 460 N C -1.615 173.965 175.510 0.116 0.000 1.451 460 N CA -0.913 52.199 53.050 0.102 0.000 0.888 460 N CB 0.513 38.832 38.487 -0.280 0.000 1.413 460 N HN -0.039 nan 8.380 nan 0.000 0.511 461 N N 0.081 118.857 118.700 0.125 0.000 2.439 461 N HA 0.251 4.994 4.740 0.005 0.000 0.249 461 N C -0.867 174.759 175.510 0.195 0.000 1.003 461 N CA -0.073 53.106 53.050 0.215 0.000 0.942 461 N CB 0.221 38.831 38.487 0.204 0.000 1.115 461 N HN 0.755 nan 8.380 nan 0.000 0.505 462 E N 1.431 121.697 120.200 0.109 0.000 3.496 462 E HA -0.270 4.083 4.350 0.005 0.000 0.300 462 E C 0.609 177.087 176.600 -0.203 0.000 0.877 462 E CA 0.540 56.914 56.400 -0.042 0.000 1.050 462 E CB -1.317 28.449 29.700 0.110 0.000 1.532 462 E HN 0.678 nan 8.360 nan 0.000 0.447 463 I N -0.089 120.443 120.570 -0.063 0.000 2.252 463 I HA -0.227 3.946 4.170 0.005 0.000 0.245 463 I C 2.389 178.407 176.117 -0.166 0.000 1.102 463 I CA 1.074 62.364 61.300 -0.018 0.000 1.385 463 I CB -0.189 37.895 38.000 0.140 0.000 1.064 463 I HN 0.158 nan 8.210 nan 0.000 0.414 464 L N 1.011 122.097 121.223 -0.228 0.000 2.109 464 L HA -0.172 4.171 4.340 0.005 0.000 0.207 464 L C 2.424 179.039 176.870 -0.426 0.000 1.086 464 L CA 1.785 56.356 54.840 -0.449 0.000 0.760 464 L CB -0.647 41.197 42.059 -0.359 0.000 0.910 464 L HN 0.221 nan 8.230 nan 0.000 0.437 465 E N -0.366 119.607 120.200 -0.377 0.000 2.058 465 E HA -0.283 4.070 4.350 0.005 0.000 0.194 465 E C 2.092 178.202 176.600 -0.817 0.000 0.997 465 E CA 1.399 57.550 56.400 -0.415 0.000 0.801 465 E CB -0.210 29.301 29.700 -0.316 0.000 0.746 465 E HN 0.607 nan 8.360 nan 0.000 0.450 466 A N 1.144 123.291 122.820 -1.121 0.000 1.865 466 A HA -0.208 4.115 4.320 0.005 0.000 0.217 466 A C 2.266 179.390 177.584 -0.767 0.000 1.191 466 A CA 1.623 52.987 52.037 -1.123 0.000 0.623 466 A CB -0.929 17.769 19.000 -0.503 0.000 0.826 466 A HN 0.360 nan 8.150 nan 0.000 0.444 467 L N -1.057 119.932 121.223 -0.390 0.000 2.042 467 L HA -0.247 4.096 4.340 0.005 0.000 0.210 467 L C 2.644 179.366 176.870 -0.247 0.000 1.076 467 L CA 1.997 56.735 54.840 -0.169 0.000 0.749 467 L CB -0.350 41.624 42.059 -0.141 0.000 0.893 467 L HN 0.393 nan 8.230 nan 0.000 0.432 468 K N -1.628 118.484 120.400 -0.479 0.000 2.116 468 K HA -0.077 4.246 4.320 0.005 0.000 0.203 468 K C 1.135 177.396 176.600 -0.565 0.000 1.052 468 K CA 1.127 57.031 56.287 -0.639 0.000 0.952 468 K CB 0.191 31.978 32.500 -1.189 0.000 0.729 468 K HN 0.199 nan 8.250 nan 0.000 0.446 469 Y N -3.256 116.898 120.300 -0.243 0.000 2.476 469 Y HA 0.107 4.660 4.550 0.005 0.000 0.261 469 Y C 0.751 176.681 175.900 0.050 0.000 1.077 469 Y CA -0.885 57.154 58.100 -0.102 0.000 1.240 469 Y CB 0.321 38.746 38.460 -0.059 0.000 1.317 469 Y HN 0.055 nan 8.280 nan 0.000 0.540 470 W N 1.266 122.396 121.300 -0.284 0.000 3.290 470 W HA 0.533 5.196 4.660 0.005 0.000 0.287 470 W C 0.921 177.353 176.519 -0.146 0.000 1.288 470 W CA -0.167 57.023 57.345 -0.258 0.000 1.725 470 W CB -0.029 29.271 29.460 -0.267 0.000 1.103 470 W HN -0.061 nan 8.180 nan 0.000 0.670 471 G N -0.284 108.546 108.800 0.050 0.000 2.495 471 G HA2 0.584 4.547 3.960 0.005 0.000 0.318 471 G HA3 0.584 4.547 3.960 0.005 0.000 0.318 471 G C -1.385 173.532 174.900 0.029 0.000 1.257 471 G CA -0.671 44.355 45.100 -0.124 0.000 0.962 471 G HN -0.109 nan 8.290 nan 0.000 0.483 472 F N 0.349 120.392 119.950 0.155 0.000 2.425 472 F HA 0.568 5.098 4.527 0.005 0.000 0.331 472 F C 1.104 176.792 175.800 -0.187 0.000 1.085 472 F CA -0.450 57.662 58.000 0.186 0.000 1.028 472 F CB 2.222 41.551 39.000 0.547 0.000 1.177 472 F HN 0.684 nan 8.300 nan 0.000 0.487 473 E N 0.431 120.612 120.200 -0.031 0.000 4.248 473 E HA -0.158 4.194 4.350 0.005 0.000 0.428 473 E C 0.530 177.033 176.600 -0.162 0.000 0.515 473 E CA 0.950 57.126 56.400 -0.374 0.000 1.510 473 E CB -1.236 27.983 29.700 -0.801 0.000 1.988 473 E HN 0.630 nan 8.360 nan 0.000 0.295 474 K N 0.219 120.569 120.400 -0.082 0.000 2.355 474 K HA 0.563 4.886 4.320 0.005 0.000 0.198 474 K C 1.837 178.375 176.600 -0.104 0.000 1.039 474 K CA 0.985 57.230 56.287 -0.071 0.000 1.075 474 K CB 0.005 32.478 32.500 -0.045 0.000 0.870 474 K HN 0.319 nan 8.250 nan 0.000 0.540 475 K N -0.367 119.937 120.400 -0.161 0.000 2.370 475 K HA 0.561 4.884 4.320 0.005 0.000 0.194 475 K C 0.092 176.245 176.600 -0.745 0.000 1.070 475 K CA 0.476 56.492 56.287 -0.453 0.000 0.998 475 K CB 0.155 32.304 32.500 -0.584 0.000 0.911 475 K HN 0.329 nan 8.250 nan 0.000 0.533 476 F N 0.363 120.285 119.950 -0.047 0.000 2.603 476 F HA 0.412 4.941 4.527 0.005 0.000 0.317 476 F C 0.947 176.701 175.800 -0.077 0.000 1.066 476 F CA -1.206 56.731 58.000 -0.105 0.000 0.941 476 F CB 1.864 40.759 39.000 -0.174 0.000 1.291 476 F HN 0.044 nan 8.300 nan 0.000 0.472 477 T N -1.299 113.325 114.554 0.117 0.000 2.795 477 T HA 0.140 4.493 4.350 0.005 0.000 0.314 477 T C -2.079 172.672 174.700 0.085 0.000 1.069 477 T CA -1.052 61.084 62.100 0.060 0.000 1.071 477 T CB 0.814 69.702 68.868 0.033 0.000 0.988 477 T HN 0.307 nan 8.240 nan 0.000 0.543 478 P HA -0.012 nan 4.420 nan 0.000 0.218 478 P C 1.278 178.633 177.300 0.092 0.000 1.149 478 P CA 0.905 64.060 63.100 0.091 0.000 0.817 478 P CB 0.048 31.778 31.700 0.051 0.000 0.785 479 E N -0.759 119.467 120.200 0.043 0.000 2.051 479 E HA -0.110 4.243 4.350 0.005 0.000 0.192 479 E C 2.033 178.619 176.600 -0.024 0.000 0.991 479 E CA 0.951 57.361 56.400 0.017 0.000 0.799 479 E CB -1.272 28.435 29.700 0.012 0.000 0.748 479 E HN 0.007 nan 8.360 nan 0.000 0.449 480 V N 0.212 120.081 119.914 -0.075 0.000 2.379 480 V HA -0.237 3.886 4.120 0.005 0.000 0.245 480 V C 1.932 177.860 176.094 -0.276 0.000 1.044 480 V CA 1.646 63.776 62.300 -0.284 0.000 1.036 480 V CB -0.504 30.993 31.823 -0.543 0.000 0.664 480 V HN 0.300 nan 8.190 nan 0.000 0.453 481 Y N 0.993 121.172 120.300 -0.202 0.000 2.151 481 Y HA -0.284 4.269 4.550 0.005 0.000 0.284 481 Y C 2.717 178.577 175.900 -0.066 0.000 1.166 481 Y CA 1.919 59.952 58.100 -0.112 0.000 1.163 481 Y CB -0.200 38.273 38.460 0.022 0.000 0.974 481 Y HN 0.231 nan 8.280 nan 0.000 0.511 482 Q N -0.449 119.322 119.800 -0.048 0.000 2.124 482 Q HA -0.121 4.222 4.340 0.005 0.000 0.202 482 Q C 2.569 178.517 176.000 -0.088 0.000 0.977 482 Q CA 1.383 57.136 55.803 -0.084 0.000 0.850 482 Q CB -1.075 27.664 28.738 0.002 0.000 0.901 482 Q HN 0.644 nan 8.270 nan 0.000 0.429 483 G N 0.831 109.587 108.800 -0.073 0.000 2.418 483 G HA2 -0.198 3.765 3.960 0.005 0.000 0.217 483 G HA3 -0.198 3.765 3.960 0.005 0.000 0.217 483 G C 1.587 176.466 174.900 -0.035 0.000 1.158 483 G CA 0.463 45.553 45.100 -0.016 0.000 0.771 483 G HN 0.252 nan 8.290 nan 0.000 0.545 484 L N 0.013 121.144 121.223 -0.153 0.000 2.046 484 L HA -0.080 4.263 4.340 0.005 0.000 0.208 484 L C 3.139 179.965 176.870 -0.073 0.000 1.077 484 L CA 0.776 55.542 54.840 -0.124 0.000 0.747 484 L CB -0.334 41.564 42.059 -0.269 0.000 0.896 484 L HN 0.163 nan 8.230 nan 0.000 0.432 485 M N -1.049 118.423 119.600 -0.213 0.000 2.086 485 M HA -0.265 4.218 4.480 0.005 0.000 0.261 485 M C 2.320 178.659 176.300 0.064 0.000 1.067 485 M CA 1.787 57.007 55.300 -0.134 0.000 1.116 485 M CB -1.537 30.900 32.600 -0.271 0.000 1.348 485 M HN 0.387 nan 8.290 nan 0.000 0.407 486 H N -0.279 118.764 119.070 -0.044 0.000 2.387 486 H HA -0.100 4.459 4.556 0.005 0.000 0.299 486 H C 1.975 177.314 175.328 0.018 0.000 1.090 486 H CA 1.322 57.365 56.048 -0.008 0.000 1.332 486 H CB 0.147 29.897 29.762 -0.020 0.000 1.386 486 H HN 0.403 nan 8.280 nan 0.000 0.516 487 G N -0.334 108.454 108.800 -0.020 0.000 2.408 487 G HA2 -0.327 3.636 3.960 0.005 0.000 0.217 487 G HA3 -0.327 3.636 3.960 0.005 0.000 0.217 487 G C 1.557 176.443 174.900 -0.024 0.000 1.150 487 G CA 0.685 45.742 45.100 -0.071 0.000 0.776 487 G HN 0.517 nan 8.290 nan 0.000 0.542 488 Y N 1.887 122.201 120.300 0.022 0.000 2.081 488 Y HA -0.208 4.345 4.550 0.005 0.000 0.280 488 Y C 2.510 178.456 175.900 0.076 0.000 1.163 488 Y CA 2.288 60.479 58.100 0.152 0.000 1.135 488 Y CB -0.047 38.489 38.460 0.128 0.000 0.970 488 Y HN 0.197 nan 8.280 nan 0.000 0.498 489 D N -0.126 120.353 120.400 0.132 0.000 2.117 489 D HA -0.153 4.490 4.640 0.005 0.000 0.197 489 D C 2.055 178.268 176.300 -0.145 0.000 0.987 489 D CA 1.462 55.484 54.000 0.036 0.000 0.829 489 D CB -0.278 40.582 40.800 0.100 0.000 0.961 489 D HN 0.367 nan 8.370 nan 0.000 0.460 490 K N -0.156 120.108 120.400 -0.226 0.000 2.074 490 K HA -0.162 4.161 4.320 0.005 0.000 0.209 490 K C 1.901 178.285 176.600 -0.359 0.000 1.048 490 K CA 0.740 56.853 56.287 -0.289 0.000 0.926 490 K CB -0.067 32.222 32.500 -0.351 0.000 0.713 490 K HN 0.062 nan 8.250 nan 0.000 0.444 491 L N -0.684 120.231 121.223 -0.514 0.000 2.121 491 L HA 0.068 4.411 4.340 0.005 0.000 0.200 491 L C 1.590 177.938 176.870 -0.869 0.000 1.077 491 L CA 1.610 55.949 54.840 -0.835 0.000 0.766 491 L CB -0.282 41.017 42.059 -1.266 0.000 0.931 491 L HN -0.005 nan 8.230 nan 0.000 0.452 492 F N -0.361 119.285 119.950 -0.507 0.000 2.619 492 F HA 0.222 4.752 4.527 0.005 0.000 0.293 492 F C 2.050 177.757 175.800 -0.155 0.000 1.119 492 F CA 0.400 58.160 58.000 -0.399 0.000 1.445 492 F CB -0.188 38.360 39.000 -0.753 0.000 1.119 492 F HN -0.008 nan 8.300 nan 0.000 0.573 493 R N -0.564 119.894 120.500 -0.070 0.000 2.437 493 R HA 0.205 4.548 4.340 0.005 0.000 0.257 493 R C 0.655 176.895 176.300 -0.099 0.000 0.927 493 R CA 0.277 56.361 56.100 -0.026 0.000 1.078 493 R CB 0.425 30.712 30.300 -0.021 0.000 1.161 493 R HN 0.306 nan 8.270 nan 0.000 0.529 494 E N -0.205 119.887 120.200 -0.180 0.000 3.635 494 E HA 0.027 4.380 4.350 0.005 0.000 0.183 494 E C 1.106 177.546 176.600 -0.267 0.000 1.263 494 E CA -0.278 56.005 56.400 -0.193 0.000 1.427 494 E CB -0.120 29.483 29.700 -0.162 0.000 1.724 494 E HN -0.075 nan 8.360 nan 0.000 0.520 495 L N 2.058 123.092 121.223 -0.315 0.000 1.970 495 L HA -0.129 4.213 4.340 0.005 0.000 0.212 495 L C 2.057 178.666 176.870 -0.435 0.000 1.071 495 L CA 1.785 56.418 54.840 -0.345 0.000 0.751 495 L CB -0.523 41.312 42.059 -0.373 0.000 0.889 495 L HN 0.180 nan 8.230 nan 0.000 0.432 496 L N -0.026 120.865 121.223 -0.552 0.000 2.017 496 L HA -0.110 4.233 4.340 0.005 0.000 0.208 496 L C -0.156 176.205 176.870 -0.849 0.000 1.073 496 L CA 1.450 55.850 54.840 -0.732 0.000 0.745 496 L CB -2.133 39.481 42.059 -0.742 0.000 0.894 496 L HN 0.295 nan 8.230 nan 0.000 0.432 497 P HA -0.148 nan 4.420 nan 0.000 0.217 497 P C 1.743 178.756 177.300 -0.478 0.000 1.150 497 P CA 1.915 64.463 63.100 -0.921 0.000 0.832 497 P CB -0.053 31.315 31.700 -0.553 0.000 0.787 498 S N -0.802 114.684 115.700 -0.357 0.000 2.368 498 S HA -0.125 4.348 4.470 0.005 0.000 0.225 498 S C 1.998 176.469 174.600 -0.214 0.000 1.030 498 S CA 1.913 59.967 58.200 -0.243 0.000 0.999 498 S CB -2.032 61.052 63.200 -0.194 0.000 0.844 498 S HN 0.114 nan 8.310 nan 0.000 0.459 499 T N 2.396 116.806 114.554 -0.240 0.000 2.746 499 T HA -0.017 4.336 4.350 0.005 0.000 0.267 499 T C 1.917 176.554 174.700 -0.105 0.000 1.039 499 T CA 1.431 63.459 62.100 -0.120 0.000 1.142 499 T CB -0.647 68.088 68.868 -0.222 0.000 0.866 499 T HN 0.296 nan 8.240 nan 0.000 0.444 500 V N 1.302 121.048 119.914 -0.280 0.000 2.343 500 V HA -0.176 3.946 4.120 0.005 0.000 0.247 500 V C 2.671 178.673 176.094 -0.153 0.000 1.051 500 V CA 1.785 63.927 62.300 -0.262 0.000 1.036 500 V CB -0.662 30.979 31.823 -0.304 0.000 0.654 500 V HN 0.388 nan 8.190 nan 0.000 0.451 501 K N -0.396 119.900 120.400 -0.173 0.000 2.148 501 K HA -0.187 4.136 4.320 0.005 0.000 0.204 501 K C 2.169 178.675 176.600 -0.156 0.000 1.050 501 K CA 1.879 58.084 56.287 -0.136 0.000 0.942 501 K CB -0.229 32.185 32.500 -0.143 0.000 0.724 501 K HN 0.790 nan 8.250 nan 0.000 0.446 502 E N -1.943 118.130 120.200 -0.211 0.000 2.076 502 E HA -0.028 4.325 4.350 0.005 0.000 0.190 502 E C 1.378 177.654 176.600 -0.541 0.000 0.979 502 E CA 1.371 57.523 56.400 -0.413 0.000 0.807 502 E CB -0.010 29.348 29.700 -0.570 0.000 0.761 502 E HN 0.584 nan 8.360 nan 0.000 0.454 503 F N -0.486 119.361 119.950 -0.173 0.000 2.720 503 F HA 0.246 4.776 4.527 0.005 0.000 0.301 503 F C 0.511 176.165 175.800 -0.243 0.000 1.103 503 F CA -0.152 57.716 58.000 -0.219 0.000 1.291 503 F CB 1.051 39.895 39.000 -0.260 0.000 1.086 503 F HN -0.129 nan 8.300 nan 0.000 0.592 504 D N -0.656 119.733 120.400 -0.017 0.000 2.968 504 D HA 0.096 4.739 4.640 0.005 0.000 0.301 504 D C 0.937 177.275 176.300 0.062 0.000 1.226 504 D CA 0.229 54.249 54.000 0.033 0.000 0.746 504 D CB 0.308 41.167 40.800 0.098 0.000 1.278 504 D HN 0.030 nan 8.370 nan 0.000 0.544 505 S N -0.720 115.006 115.700 0.043 0.000 2.507 505 S HA -0.063 4.410 4.470 0.005 0.000 0.235 505 S C 0.920 175.546 174.600 0.043 0.000 0.988 505 S CA 0.538 58.748 58.200 0.017 0.000 0.944 505 S CB 0.322 63.514 63.200 -0.014 0.000 0.762 505 S HN 0.170 nan 8.310 nan 0.000 0.526 506 D N 0.898 121.343 120.400 0.074 0.000 2.424 506 D HA 0.256 4.899 4.640 0.005 0.000 0.220 506 D C 0.120 176.477 176.300 0.094 0.000 1.150 506 D CA 0.002 54.042 54.000 0.067 0.000 0.831 506 D CB 0.403 41.232 40.800 0.047 0.000 0.981 506 D HN 0.382 nan 8.370 nan 0.000 0.500 507 R N 0.231 120.815 120.500 0.141 0.000 2.532 507 R HA 0.311 4.654 4.340 0.005 0.000 0.295 507 R C -0.416 176.027 176.300 0.238 0.000 0.968 507 R CA -0.825 55.393 56.100 0.197 0.000 0.916 507 R CB 1.700 32.169 30.300 0.283 0.000 1.124 507 R HN -0.124 nan 8.270 nan 0.000 0.463 508 F N 2.999 122.976 119.950 0.045 0.000 2.518 508 F HA 0.109 4.640 4.527 0.006 0.000 0.359 508 F C -0.795 175.091 175.800 0.145 0.000 1.118 508 F CA 0.218 58.216 58.000 -0.004 0.000 1.287 508 F CB 0.348 39.225 39.000 -0.204 0.000 1.132 508 F HN 0.415 nan 8.300 nan 0.000 0.587 509 Y N 5.968 125.759 120.300 -0.849 0.000 2.442 509 Y HA 0.614 5.166 4.550 0.005 0.000 0.344 509 Y C -1.895 173.392 175.900 -1.022 0.000 0.976 509 Y CA -1.082 56.656 58.100 -0.603 0.000 1.040 509 Y CB 1.548 39.885 38.460 -0.205 0.000 1.228 509 Y HN 0.585 nan 8.280 nan 0.000 0.451 510 V N 6.312 125.466 119.914 -1.267 0.000 2.823 510 V HA 0.284 4.407 4.120 0.005 0.000 0.312 510 V C 0.106 175.621 176.094 -0.965 0.000 1.072 510 V CA -0.381 61.399 62.300 -0.867 0.000 0.937 510 V CB 1.597 33.209 31.823 -0.352 0.000 1.013 510 V HN 1.057 nan 8.190 nan 0.000 0.430 511 H N 3.047 121.862 119.070 -0.425 0.000 2.495 511 H HA 0.373 4.932 4.556 0.005 0.000 0.287 511 H C 0.755 176.054 175.328 -0.049 0.000 1.033 511 H CA 0.989 56.954 56.048 -0.138 0.000 1.307 511 H CB 0.184 30.051 29.762 0.175 0.000 1.401 511 H HN 0.549 nan 8.280 nan 0.000 0.555 512 S N -0.934 114.515 115.700 -0.418 0.000 2.547 512 S HA 0.470 4.942 4.470 0.005 0.000 0.270 512 S C -1.561 173.007 174.600 -0.054 0.000 1.150 512 S CA -0.556 57.549 58.200 -0.158 0.000 0.850 512 S CB 1.689 64.847 63.200 -0.070 0.000 1.118 512 S HN 0.379 nan 8.310 nan 0.000 0.461 513 S N 3.244 118.998 115.700 0.091 0.000 2.552 513 S HA 0.729 5.202 4.470 0.005 0.000 0.314 513 S C -2.924 171.559 174.600 -0.195 0.000 1.099 513 S CA -1.609 56.675 58.200 0.140 0.000 1.070 513 S CB 1.454 64.975 63.200 0.536 0.000 0.998 513 S HN 0.543 nan 8.310 nan 0.000 0.474 514 P HA 0.166 nan 4.420 nan 0.000 0.279 514 P C 0.140 177.349 177.300 -0.150 0.000 1.239 514 P CA -0.392 62.538 63.100 -0.283 0.000 0.789 514 P CB 0.367 31.890 31.700 -0.295 0.000 0.933 515 Y N 2.909 123.120 120.300 -0.149 0.000 2.314 515 Y HA 0.039 4.592 4.550 0.004 0.000 0.293 515 Y C 1.344 177.228 175.900 -0.026 0.000 1.129 515 Y CA 1.083 59.073 58.100 -0.184 0.000 1.201 515 Y CB -0.342 37.974 38.460 -0.240 0.000 0.999 515 Y HN 0.168 nan 8.280 nan 0.000 0.541 516 L N -0.393 120.669 121.223 -0.267 0.000 2.753 516 L HA 0.544 4.887 4.340 0.005 0.000 0.238 516 L C 0.776 177.632 176.870 -0.024 0.000 1.028 516 L CA 0.658 55.465 54.840 -0.055 0.000 0.966 516 L CB -0.599 41.463 42.059 0.005 0.000 1.681 516 L HN 0.195 nan 8.230 nan 0.000 0.511 517 A N 2.233 124.987 122.820 -0.109 0.000 2.540 517 A HA 0.146 4.469 4.320 0.005 0.000 0.239 517 A C 0.057 177.723 177.584 0.136 0.000 1.061 517 A CA 0.290 52.369 52.037 0.070 0.000 0.758 517 A CB -0.285 18.776 19.000 0.103 0.000 0.991 517 A HN 0.547 nan 8.150 nan 0.000 0.502 518 N N 2.937 121.749 118.700 0.186 0.000 2.314 518 N HA 0.162 4.905 4.740 0.005 0.000 0.294 518 N C 0.909 176.607 175.510 0.312 0.000 1.029 518 N CA -0.689 52.422 53.050 0.101 0.000 0.845 518 N CB 0.938 39.239 38.487 -0.309 0.000 1.321 518 N HN 0.861 nan 8.380 nan 0.000 0.481 519 W N 3.200 124.673 121.300 0.288 0.000 2.465 519 W HA 0.105 4.768 4.660 0.004 0.000 0.268 519 W C 0.634 177.448 176.519 0.493 0.000 1.242 519 W CA 0.771 58.345 57.345 0.381 0.000 1.248 519 W CB -0.596 29.021 29.460 0.261 0.000 1.118 519 W HN 0.556 nan 8.180 nan 0.000 0.587 520 G N 1.220 109.887 108.800 -0.221 0.000 2.985 520 G HA2 0.063 4.026 3.960 0.005 0.000 0.209 520 G HA3 0.063 4.026 3.960 0.005 0.000 0.209 520 G C 0.639 175.470 174.900 -0.114 0.000 1.165 520 G CA -0.565 44.374 45.100 -0.267 0.000 0.776 520 G HN 0.140 nan 8.290 nan 0.000 0.541 521 R N 0.254 120.706 120.500 -0.080 0.000 2.443 521 R HA 0.256 4.599 4.340 0.005 0.000 0.287 521 R C -2.074 173.833 176.300 -0.655 0.000 1.425 521 R CA -1.577 54.359 56.100 -0.272 0.000 1.300 521 R CB 1.897 32.058 30.300 -0.231 0.000 1.129 521 R HN -0.045 nan 8.270 nan 0.000 0.577 522 P HA -0.269 nan 4.420 nan 0.000 0.217 522 P C 1.115 177.805 177.300 -1.017 0.000 1.148 522 P CA 1.179 63.131 63.100 -1.914 0.000 0.828 522 P CB 0.303 31.321 31.700 -1.135 0.000 0.783 523 E N 0.116 120.000 120.200 -0.527 0.000 2.265 523 E HA -0.142 4.211 4.350 0.005 0.000 0.196 523 E C 1.527 178.036 176.600 -0.153 0.000 0.996 523 E CA 1.787 58.036 56.400 -0.253 0.000 0.832 523 E CB -0.912 28.694 29.700 -0.157 0.000 0.756 523 E HN 0.345 nan 8.360 nan 0.000 0.491 524 S N -0.691 114.898 115.700 -0.185 0.000 2.528 524 S HA -0.000 4.473 4.470 0.005 0.000 0.219 524 S C 1.398 176.096 174.600 0.163 0.000 0.985 524 S CA -0.281 57.917 58.200 -0.002 0.000 0.914 524 S CB -0.602 62.617 63.200 0.030 0.000 0.776 524 S HN 0.277 nan 8.310 nan 0.000 0.526 525 W N 2.398 123.741 121.300 0.072 0.000 2.392 525 W HA 0.292 4.954 4.660 0.004 0.000 0.279 525 W C 2.167 178.759 176.519 0.121 0.000 1.225 525 W CA 0.244 57.649 57.345 0.100 0.000 1.233 525 W CB -1.417 28.127 29.460 0.141 0.000 1.122 525 W HN 0.523 nan 8.180 nan 0.000 0.561 526 G N -0.525 108.473 108.800 0.330 0.000 3.026 526 G HA2 0.031 3.994 3.960 0.005 0.000 0.208 526 G HA3 0.031 3.994 3.960 0.005 0.000 0.208 526 G C -0.000 174.967 174.900 0.112 0.000 1.169 526 G CA 0.198 45.432 45.100 0.224 0.000 0.788 526 G HN 0.022 nan 8.290 nan 0.000 0.533 527 T N 1.019 115.635 114.554 0.103 0.000 2.963 527 T HA 0.574 4.927 4.350 0.005 0.000 0.343 527 T C 0.805 175.448 174.700 -0.096 0.000 1.146 527 T CA 0.264 62.398 62.100 0.057 0.000 1.016 527 T CB 1.093 69.999 68.868 0.063 0.000 1.046 527 T HN 0.821 nan 8.240 nan 0.000 0.496 528 G N 4.134 112.935 108.800 0.003 0.000 2.562 528 G HA2 -0.192 3.771 3.960 0.005 0.000 0.250 528 G HA3 -0.192 3.771 3.960 0.005 0.000 0.250 528 G C -0.605 174.154 174.900 -0.235 0.000 1.269 528 G CA -0.130 44.885 45.100 -0.143 0.000 0.919 528 G HN 0.841 nan 8.290 nan 0.000 0.574 529 D N -0.044 120.050 120.400 -0.510 0.000 2.283 529 D HA 0.603 5.246 4.640 0.005 0.000 0.248 529 D C -0.132 176.118 176.300 -0.083 0.000 1.072 529 D CA 0.083 53.923 54.000 -0.267 0.000 0.929 529 D CB 1.542 42.078 40.800 -0.440 0.000 1.182 529 D HN 0.469 nan 8.370 nan 0.000 0.433 530 S N -0.342 115.403 115.700 0.075 0.000 2.503 530 S HA 0.269 4.742 4.470 0.005 0.000 0.301 530 S C -0.658 174.120 174.600 0.297 0.000 1.087 530 S CA -0.711 57.554 58.200 0.108 0.000 1.042 530 S CB 0.987 64.186 63.200 -0.002 0.000 1.043 530 S HN 0.396 nan 8.310 nan 0.000 0.489 531 H N 2.439 121.600 119.070 0.151 0.000 2.746 531 H HA 0.208 4.767 4.556 0.005 0.000 0.269 531 H C -0.290 175.112 175.328 0.123 0.000 1.248 531 H CA -0.598 55.562 56.048 0.186 0.000 1.258 531 H CB 0.311 30.342 29.762 0.448 0.000 1.441 531 H HN 0.322 nan 8.280 nan 0.000 0.508 532 N N 3.131 121.817 118.700 -0.024 0.000 2.508 532 N HA -0.047 4.696 4.740 0.005 0.000 0.253 532 N C -0.398 174.909 175.510 -0.338 0.000 1.145 532 N CA -0.287 52.700 53.050 -0.106 0.000 0.973 532 N CB 0.028 38.386 38.487 -0.215 0.000 1.305 532 N HN 0.559 nan 8.380 nan 0.000 0.506 533 W N 1.770 122.897 121.300 -0.290 0.000 3.305 533 W HA 0.361 5.024 4.660 0.005 0.000 0.392 533 W C 1.830 177.715 176.519 -1.055 0.000 1.121 533 W CA -0.674 56.377 57.345 -0.490 0.000 1.909 533 W CB 0.351 29.672 29.460 -0.232 0.000 1.065 533 W HN 0.584 nan 8.180 nan 0.000 0.714 534 G N 0.329 108.715 108.800 -0.689 0.000 2.418 534 G HA2 -0.173 3.790 3.960 0.005 0.000 0.217 534 G HA3 -0.173 3.790 3.960 0.005 0.000 0.217 534 G C 0.625 175.466 174.900 -0.098 0.000 1.158 534 G CA 0.438 45.292 45.100 -0.410 0.000 0.771 534 G HN -0.035 nan 8.290 nan 0.000 0.545 535 V N 0.987 120.911 119.914 0.017 0.000 2.637 535 V HA 0.223 4.346 4.120 0.005 0.000 0.296 535 V C 0.858 177.143 176.094 0.317 0.000 1.046 535 V CA 0.063 62.465 62.300 0.171 0.000 1.066 535 V CB 0.492 32.431 31.823 0.194 0.000 0.968 535 V HN 0.618 nan 8.190 nan 0.000 0.483 536 W N 3.691 125.068 121.300 0.128 0.000 1.401 536 W HA -0.400 4.263 4.660 0.005 0.000 0.255 536 W C 1.372 177.877 176.519 -0.024 0.000 1.582 536 W CA 1.819 59.168 57.345 0.005 0.000 1.965 536 W CB -1.446 28.079 29.460 0.108 0.000 1.231 536 W HN 0.581 nan 8.180 nan 0.000 0.440 537 Y N 1.213 121.635 120.300 0.203 0.000 2.181 537 Y HA 0.016 4.569 4.550 0.005 0.000 0.288 537 Y C 2.684 178.562 175.900 -0.037 0.000 1.146 537 Y CA 2.743 60.842 58.100 -0.002 0.000 1.164 537 Y CB -1.339 37.160 38.460 0.065 0.000 0.982 537 Y HN 0.276 nan 8.280 nan 0.000 0.515 538 G N -0.994 107.784 108.800 -0.036 0.000 2.985 538 G HA2 -0.017 3.946 3.960 0.005 0.000 0.209 538 G HA3 -0.017 3.946 3.960 0.005 0.000 0.209 538 G C 0.731 175.710 174.900 0.132 0.000 1.165 538 G CA 0.169 45.340 45.100 0.119 0.000 0.776 538 G HN 0.326 nan 8.290 nan 0.000 0.541 539 K N -0.918 119.541 120.400 0.098 0.000 3.349 539 K HA -0.184 4.139 4.320 0.005 0.000 0.310 539 K C 0.177 176.772 176.600 -0.008 0.000 1.267 539 K CA 0.833 57.166 56.287 0.077 0.000 0.920 539 K CB -1.045 31.443 32.500 -0.021 0.000 1.240 539 K HN 0.409 nan 8.250 nan 0.000 0.453 540 K N 1.589 122.039 120.400 0.083 0.000 2.382 540 K HA 0.116 4.439 4.320 0.005 0.000 0.275 540 K C -2.142 174.429 176.600 -0.049 0.000 1.009 540 K CA -1.360 54.946 56.287 0.032 0.000 0.970 540 K CB 0.316 32.873 32.500 0.095 0.000 0.934 540 K HN -0.075 nan 8.250 nan 0.000 0.479 541 P HA -0.032 nan 4.420 nan 0.000 0.272 541 P C 0.163 177.443 177.300 -0.033 0.000 1.230 541 P CA -0.030 62.973 63.100 -0.161 0.000 0.788 541 P CB 0.334 31.977 31.700 -0.096 0.000 0.949 542 F N 0.188 120.207 119.950 0.115 0.000 2.250 542 F HA -0.165 4.365 4.527 0.005 0.000 0.301 542 F C 2.141 178.001 175.800 0.099 0.000 1.077 542 F CA 1.575 59.630 58.000 0.092 0.000 1.348 542 F CB -1.132 37.867 39.000 -0.001 0.000 1.040 542 F HN 0.308 nan 8.300 nan 0.000 0.509 543 E N -0.011 120.304 120.200 0.191 0.000 2.204 543 E HA -0.174 4.179 4.350 0.005 0.000 0.195 543 E C 2.316 179.014 176.600 0.165 0.000 0.990 543 E CA 1.259 57.760 56.400 0.169 0.000 0.821 543 E CB -0.583 29.163 29.700 0.077 0.000 0.750 543 E HN 0.382 nan 8.360 nan 0.000 0.477 544 S N 0.155 115.931 115.700 0.127 0.000 2.440 544 S HA -0.134 4.339 4.470 0.005 0.000 0.238 544 S C 1.810 176.457 174.600 0.077 0.000 1.010 544 S CA 0.702 58.963 58.200 0.102 0.000 0.972 544 S CB -0.369 62.888 63.200 0.095 0.000 0.774 544 S HN 0.248 nan 8.310 nan 0.000 0.501 545 L N 1.092 122.370 121.223 0.092 0.000 2.376 545 L HA 0.009 4.352 4.340 0.005 0.000 0.219 545 L C 1.931 178.777 176.870 -0.040 0.000 1.133 545 L CA 0.863 55.705 54.840 0.004 0.000 0.816 545 L CB -0.430 41.617 42.059 -0.020 0.000 0.933 545 L HN 0.248 nan 8.230 nan 0.000 0.449 546 D N -0.749 119.658 120.400 0.012 0.000 2.234 546 D HA -0.102 4.541 4.640 0.005 0.000 0.205 546 D C 2.147 178.449 176.300 0.003 0.000 0.962 546 D CA 1.842 55.827 54.000 -0.024 0.000 0.855 546 D CB 0.197 41.024 40.800 0.045 0.000 0.951 546 D HN 0.408 nan 8.370 nan 0.000 0.500 547 T N -2.433 112.146 114.554 0.043 0.000 3.018 547 T HA 0.021 4.374 4.350 0.005 0.000 0.246 547 T C 0.514 175.278 174.700 0.108 0.000 1.026 547 T CA -0.154 61.988 62.100 0.071 0.000 1.081 547 T CB 0.259 69.189 68.868 0.102 0.000 0.970 547 T HN -0.260 nan 8.240 nan 0.000 0.475 548 D N 2.280 122.717 120.400 0.062 0.000 2.524 548 D HA 0.435 5.078 4.640 0.005 0.000 0.222 548 D C -0.650 175.553 176.300 -0.162 0.000 1.142 548 D CA -0.145 53.831 54.000 -0.040 0.000 0.973 548 D CB 0.393 41.019 40.800 -0.291 0.000 1.025 548 D HN 0.443 nan 8.370 nan 0.000 0.519 549 L N 3.176 124.421 121.223 0.038 0.000 2.307 549 L HA 0.477 4.820 4.340 0.005 0.000 0.282 549 L C -2.009 174.987 176.870 0.211 0.000 1.051 549 L CA -1.561 53.331 54.840 0.086 0.000 0.804 549 L CB 1.526 43.634 42.059 0.082 0.000 1.197 549 L HN 0.058 nan 8.230 nan 0.000 0.431 550 P HA 0.393 nan 4.420 nan 0.000 0.287 550 P C -0.388 177.012 177.300 0.166 0.000 1.292 550 P CA -0.774 62.395 63.100 0.116 0.000 0.879 550 P CB 1.607 33.251 31.700 -0.094 0.000 1.214 551 R N -0.173 120.376 120.500 0.081 0.000 2.153 551 R HA 0.216 4.559 4.340 0.005 0.000 0.218 551 R C 0.245 176.683 176.300 0.230 0.000 1.072 551 R CA 0.733 56.850 56.100 0.030 0.000 0.990 551 R CB -0.828 29.494 30.300 0.038 0.000 0.889 551 R HN 0.591 nan 8.270 nan 0.000 0.452 552 F N -0.357 119.610 119.950 0.027 0.000 2.651 552 F HA 0.279 4.808 4.527 0.004 0.000 0.327 552 F C -1.373 174.403 175.800 -0.041 0.000 1.133 552 F CA -1.170 56.860 58.000 0.051 0.000 1.076 552 F CB 1.272 40.445 39.000 0.289 0.000 1.315 552 F HN -0.237 nan 8.300 nan 0.000 0.499 553 M N 5.330 124.755 119.600 -0.291 0.000 2.111 553 M HA 0.267 4.750 4.480 0.005 0.000 0.351 553 M C 0.332 176.659 176.300 0.046 0.000 1.214 553 M CA 0.170 55.357 55.300 -0.189 0.000 1.120 553 M CB 0.860 33.114 32.600 -0.576 0.000 1.443 553 M HN 0.532 nan 8.290 nan 0.000 0.429 554 S N 2.459 118.332 115.700 0.287 0.000 2.501 554 S HA 0.253 4.726 4.470 0.005 0.000 0.220 554 S C 0.046 174.634 174.600 -0.020 0.000 0.997 554 S CA 0.029 58.351 58.200 0.204 0.000 0.919 554 S CB -0.174 63.141 63.200 0.191 0.000 0.778 554 S HN 0.747 nan 8.310 nan 0.000 0.523 555 E N -0.016 120.175 120.200 -0.016 0.000 2.354 555 E HA 0.579 4.932 4.350 0.005 0.000 0.283 555 E C -1.574 174.980 176.600 -0.077 0.000 0.938 555 E CA -0.792 55.570 56.400 -0.063 0.000 0.777 555 E CB 2.321 31.879 29.700 -0.238 0.000 1.222 555 E HN 0.430 nan 8.360 nan 0.000 0.423 556 F N -0.671 119.039 119.950 -0.401 0.000 2.719 556 F HA 0.849 5.379 4.527 0.005 0.000 0.309 556 F C -0.623 174.873 175.800 -0.507 0.000 1.138 556 F CA -0.580 56.962 58.000 -0.763 0.000 0.943 556 F CB 1.666 40.452 39.000 -0.356 0.000 1.304 556 F HN 0.585 nan 8.300 nan 0.000 0.445 557 G N 0.688 109.004 108.800 -0.806 0.000 2.495 557 G HA2 0.582 4.545 3.960 0.005 0.000 0.294 557 G HA3 0.582 4.545 3.960 0.005 0.000 0.294 557 G C -2.777 172.286 174.900 0.271 0.000 1.397 557 G CA -0.859 44.093 45.100 -0.247 0.000 0.790 557 G HN 1.099 nan 8.290 nan 0.000 0.486 558 F N 0.028 120.082 119.950 0.173 0.000 2.635 558 F HA 0.527 5.057 4.527 0.005 0.000 0.314 558 F C -0.265 175.304 175.800 -0.386 0.000 1.119 558 F CA -0.640 57.347 58.000 -0.022 0.000 1.000 558 F CB 2.060 41.115 39.000 0.092 0.000 1.278 558 F HN 0.539 nan 8.300 nan 0.000 0.446 559 Q N 2.435 121.313 119.800 -1.537 0.000 2.312 559 Q HA 0.651 4.994 4.340 0.005 0.000 0.236 559 Q C -0.911 174.727 176.000 -0.604 0.000 0.965 559 Q CA -0.406 54.583 55.803 -1.357 0.000 0.894 559 Q CB 1.801 29.431 28.738 -1.847 0.000 1.225 559 Q HN 0.710 nan 8.270 nan 0.000 0.478 560 S N 0.346 115.781 115.700 -0.441 0.000 2.541 560 S HA 0.486 4.959 4.470 0.005 0.000 0.271 560 S C -0.827 173.674 174.600 -0.164 0.000 1.133 560 S CA -0.868 57.212 58.200 -0.200 0.000 0.876 560 S CB 0.523 63.613 63.200 -0.183 0.000 1.105 560 S HN 0.427 nan 8.310 nan 0.000 0.470 561 F N 3.236 123.085 119.950 -0.169 0.000 2.572 561 F HA 0.296 4.825 4.527 0.005 0.000 0.370 561 F C -1.331 174.399 175.800 -0.116 0.000 1.103 561 F CA -0.763 57.182 58.000 -0.092 0.000 1.286 561 F CB 0.640 39.619 39.000 -0.035 0.000 1.105 561 F HN 0.437 nan 8.300 nan 0.000 0.583 562 P HA 0.053 nan 4.420 nan 0.000 0.274 562 P C -0.908 176.450 177.300 0.098 0.000 1.256 562 P CA -0.540 62.588 63.100 0.047 0.000 0.795 562 P CB 0.633 32.377 31.700 0.074 0.000 1.038 563 E N 0.800 121.060 120.200 0.099 0.000 2.410 563 E HA 0.027 4.380 4.350 0.005 0.000 0.255 563 E C 1.119 177.789 176.600 0.117 0.000 1.194 563 E CA -0.609 55.872 56.400 0.135 0.000 0.955 563 E CB 0.089 29.944 29.700 0.259 0.000 0.988 563 E HN 0.158 nan 8.360 nan 0.000 0.461 564 M N 1.086 120.749 119.600 0.105 0.000 2.149 564 M HA -0.181 4.302 4.480 0.005 0.000 0.261 564 M C 2.036 178.324 176.300 -0.020 0.000 1.064 564 M CA 2.112 57.414 55.300 0.005 0.000 1.102 564 M CB -1.268 31.336 32.600 0.007 0.000 1.369 564 M HN 0.679 nan 8.290 nan 0.000 0.408 565 K N -1.481 118.941 120.400 0.036 0.000 2.283 565 K HA -0.061 4.262 4.320 0.005 0.000 0.202 565 K C 1.643 178.232 176.600 -0.018 0.000 1.048 565 K CA 1.555 57.845 56.287 0.005 0.000 0.948 565 K CB -0.604 31.903 32.500 0.012 0.000 0.742 565 K HN 0.177 nan 8.250 nan 0.000 0.458 566 T N 1.960 116.548 114.554 0.056 0.000 2.809 566 T HA 0.087 4.440 4.350 0.005 0.000 0.260 566 T C 1.925 176.690 174.700 0.108 0.000 1.039 566 T CA 0.817 63.020 62.100 0.170 0.000 1.141 566 T CB -0.140 68.912 68.868 0.307 0.000 0.869 566 T HN 0.148 nan 8.240 nan 0.000 0.437 567 I N 1.743 122.278 120.570 -0.058 0.000 2.194 567 I HA -0.243 3.930 4.170 0.005 0.000 0.246 567 I C 2.894 178.612 176.117 -0.664 0.000 1.093 567 I CA 1.318 62.325 61.300 -0.488 0.000 1.355 567 I CB -0.517 37.312 38.000 -0.286 0.000 1.046 567 I HN 0.193 nan 8.210 nan 0.000 0.413 568 A N 0.655 123.297 122.820 -0.297 0.000 2.070 568 A HA -0.096 4.227 4.320 0.005 0.000 0.220 568 A C 2.475 180.055 177.584 -0.007 0.000 1.159 568 A CA 1.622 53.623 52.037 -0.061 0.000 0.656 568 A CB -0.625 18.417 19.000 0.070 0.000 0.800 568 A HN 0.466 nan 8.150 nan 0.000 0.453 569 A N -0.640 122.177 122.820 -0.006 0.000 2.067 569 A HA 0.152 4.475 4.320 0.005 0.000 0.219 569 A C 1.528 179.320 177.584 0.347 0.000 1.158 569 A CA 1.318 53.472 52.037 0.195 0.000 0.661 569 A CB -0.620 18.532 19.000 0.254 0.000 0.801 569 A HN 1.050 nan 8.150 nan 0.000 0.452 570 F N -3.668 116.303 119.950 0.034 0.000 2.706 570 F HA 0.759 5.289 4.527 0.005 0.000 0.313 570 F C 0.270 175.667 175.800 -0.671 0.000 1.096 570 F CA -0.581 57.281 58.000 -0.229 0.000 1.219 570 F CB -0.128 38.595 39.000 -0.461 0.000 1.051 570 F HN 0.170 nan 8.300 nan 0.000 0.568 571 A N 1.093 123.570 122.820 -0.571 0.000 2.486 571 A HA 0.847 5.170 4.320 0.005 0.000 0.300 571 A C -0.399 177.183 177.584 -0.003 0.000 1.048 571 A CA -0.457 51.349 52.037 -0.385 0.000 0.696 571 A CB 0.706 19.455 19.000 -0.419 0.000 1.278 571 A HN 0.513 nan 8.150 nan 0.000 0.405 572 A N 2.327 125.162 122.820 0.025 0.000 2.296 572 A HA 0.680 5.002 4.320 0.005 0.000 0.264 572 A C -1.770 175.634 177.584 -0.299 0.000 1.097 572 A CA -1.245 50.793 52.037 0.001 0.000 0.811 572 A CB -0.211 18.811 19.000 0.036 0.000 1.072 572 A HN 0.498 nan 8.150 nan 0.000 0.495 573 P HA -0.086 nan 4.420 nan 0.000 0.225 573 P C 0.931 177.780 177.300 -0.750 0.000 1.156 573 P CA 1.065 63.341 63.100 -1.373 0.000 0.787 573 P CB 0.095 31.314 31.700 -0.802 0.000 0.802 574 E N 0.491 120.475 120.200 -0.360 0.000 2.130 574 E HA -0.198 4.154 4.350 0.005 0.000 0.196 574 E C 0.651 177.161 176.600 -0.150 0.000 0.998 574 E CA 1.295 57.579 56.400 -0.194 0.000 0.806 574 E CB -1.371 28.265 29.700 -0.105 0.000 0.738 574 E HN 0.392 nan 8.360 nan 0.000 0.459 575 D N 0.130 120.456 120.400 -0.123 0.000 2.336 575 D HA -0.018 4.625 4.640 0.005 0.000 0.228 575 D C -0.265 176.019 176.300 -0.026 0.000 1.120 575 D CA -0.073 53.895 54.000 -0.052 0.000 0.839 575 D CB -0.150 40.634 40.800 -0.026 0.000 0.932 575 D HN 0.136 nan 8.370 nan 0.000 0.509 576 Y N 2.122 122.229 120.300 -0.320 0.000 2.724 576 Y HA 0.196 4.749 4.550 0.005 0.000 0.354 576 Y C 0.680 176.011 175.900 -0.947 0.000 1.270 576 Y CA -0.246 57.496 58.100 -0.597 0.000 1.902 576 Y CB -0.593 37.675 38.460 -0.320 0.000 1.981 576 Y HN -0.140 nan 8.280 nan 0.000 0.428 577 Q N 0.209 119.536 119.800 -0.788 0.000 2.377 577 Q HA 0.321 4.664 4.340 0.005 0.000 0.279 577 Q C 1.055 176.818 176.000 -0.396 0.000 1.049 577 Q CA -0.658 54.782 55.803 -0.605 0.000 0.825 577 Q CB 2.210 30.808 28.738 -0.233 0.000 1.401 577 Q HN 0.462 nan 8.270 nan 0.000 0.404 578 I N 0.434 120.933 120.570 -0.117 0.000 2.248 578 I HA -0.263 3.910 4.170 0.005 0.000 0.248 578 I C 0.993 177.193 176.117 0.137 0.000 1.107 578 I CA 1.467 62.850 61.300 0.138 0.000 1.373 578 I CB 0.212 38.193 38.000 -0.031 0.000 1.055 578 I HN 0.445 nan 8.210 nan 0.000 0.418 579 E N 0.771 120.989 120.200 0.030 0.000 2.651 579 E HA 0.137 4.490 4.350 0.005 0.000 0.208 579 E C 0.404 177.018 176.600 0.023 0.000 0.997 579 E CA -0.021 56.404 56.400 0.041 0.000 1.020 579 E CB 0.321 30.033 29.700 0.020 0.000 1.052 579 E HN 0.394 nan 8.360 nan 0.000 0.465 580 S N -0.255 115.448 115.700 0.006 0.000 2.589 580 S HA 0.217 4.690 4.470 0.005 0.000 0.265 580 S C 1.394 176.023 174.600 0.048 0.000 1.342 580 S CA 0.263 58.467 58.200 0.007 0.000 1.005 580 S CB 1.294 64.480 63.200 -0.023 0.000 0.909 580 S HN 0.253 nan 8.310 nan 0.000 0.555 581 E N 0.806 121.035 120.200 0.047 0.000 2.106 581 E HA -0.041 4.312 4.350 0.005 0.000 0.192 581 E C 1.995 178.659 176.600 0.107 0.000 0.984 581 E CA 1.540 57.981 56.400 0.068 0.000 0.806 581 E CB -1.180 nan 29.700 nan 0.000 0.750 581 E HN 0.593 nan 8.360 nan 0.000 0.458 582 V N -0.040 119.939 119.914 0.107 0.000 2.358 582 V HA -0.217 3.906 4.120 0.005 0.000 0.246 582 V C 2.630 178.878 176.094 0.258 0.000 1.047 582 V CA 2.037 64.436 62.300 0.165 0.000 1.035 582 V CB -0.299 31.574 31.823 0.083 0.000 0.658 582 V HN 0.542 nan 8.190 nan 0.000 0.452 583 M N 0.706 120.424 119.600 0.196 0.000 2.159 583 M HA -0.124 4.359 4.480 0.005 0.000 0.263 583 M C 1.804 178.231 176.300 0.211 0.000 1.063 583 M CA 1.662 57.118 55.300 0.261 0.000 1.110 583 M CB -0.776 31.951 32.600 0.212 0.000 1.374 583 M HN 0.299 nan 8.290 nan 0.000 0.411 584 N N 0.242 119.035 118.700 0.155 0.000 2.223 584 N HA -0.039 4.704 4.740 0.005 0.000 0.185 584 N C 1.567 177.140 175.510 0.104 0.000 1.016 584 N CA 1.508 54.624 53.050 0.110 0.000 0.863 584 N CB -0.544 37.993 38.487 0.082 0.000 0.983 584 N HN 0.482 nan 8.380 nan 0.000 0.429 585 A N -0.115 122.800 122.820 0.159 0.000 2.067 585 A HA -0.101 4.222 4.320 0.005 0.000 0.219 585 A C 0.764 178.361 177.584 0.021 0.000 1.158 585 A CA 1.198 53.316 52.037 0.135 0.000 0.661 585 A CB -0.446 18.680 19.000 0.210 0.000 0.801 585 A HN 0.346 nan 8.150 nan 0.000 0.452 586 H N -1.833 117.182 119.070 -0.092 0.000 2.488 586 H HA 0.400 4.959 4.556 0.005 0.000 0.294 586 H C -0.271 174.859 175.328 -0.330 0.000 1.088 586 H CA 0.174 55.967 56.048 -0.425 0.000 1.086 586 H CB 0.361 29.491 29.762 -1.053 0.000 1.569 586 H HN 0.434 nan 8.280 nan 0.000 0.548 587 Q N 1.047 120.808 119.800 -0.066 0.000 2.414 587 Q HA 0.249 4.592 4.340 0.005 0.000 0.256 587 Q C -0.260 175.738 176.000 -0.003 0.000 0.974 587 Q CA -0.588 55.158 55.803 -0.094 0.000 0.723 587 Q CB 0.699 29.390 28.738 -0.078 0.000 1.281 587 Q HN -0.130 nan 8.270 nan 0.000 0.470 588 K N 1.252 121.678 120.400 0.044 0.000 2.404 588 K HA 0.191 4.514 4.320 0.005 0.000 0.194 588 K C -0.077 176.576 176.600 0.089 0.000 1.023 588 K CA 0.050 56.391 56.287 0.090 0.000 1.094 588 K CB 0.708 33.324 32.500 0.193 0.000 0.841 588 K HN 0.435 nan 8.250 nan 0.000 0.523 589 S N 1.428 117.183 115.700 0.092 0.000 2.430 589 S HA 0.103 4.576 4.470 0.005 0.000 0.289 589 S C 1.191 175.849 174.600 0.097 0.000 1.143 589 S CA -0.364 57.926 58.200 0.149 0.000 1.067 589 S CB 0.739 64.069 63.200 0.217 0.000 0.964 589 S HN 0.310 nan 8.310 nan 0.000 0.485 590 S N 4.849 120.596 115.700 0.078 0.000 2.474 590 S HA -0.077 4.396 4.470 0.005 0.000 0.235 590 S C 1.428 176.056 174.600 0.048 0.000 0.997 590 S CA 0.908 59.135 58.200 0.045 0.000 0.949 590 S CB -0.699 62.513 63.200 0.020 0.000 0.766 590 S HN 0.916 nan 8.310 nan 0.000 0.517 591 I N -2.156 118.453 120.570 0.066 0.000 4.018 591 I HA 0.528 4.701 4.170 0.005 0.000 0.337 591 I C 1.949 178.056 176.117 -0.016 0.000 1.327 591 I CA 0.051 61.358 61.300 0.010 0.000 1.100 591 I CB -0.472 37.511 38.000 -0.028 0.000 1.025 591 I HN 0.180 nan 8.210 nan 0.000 0.396 592 G N 2.078 110.943 108.800 0.109 0.000 2.421 592 G HA2 -0.239 3.724 3.960 0.005 0.000 0.216 592 G HA3 -0.239 3.724 3.960 0.005 0.000 0.216 592 G C 1.292 176.298 174.900 0.176 0.000 1.171 592 G CA 0.948 46.191 45.100 0.239 0.000 0.775 592 G HN 0.356 nan 8.290 nan 0.000 0.543 593 N N 0.979 119.776 118.700 0.162 0.000 2.058 593 N HA -0.084 4.659 4.740 0.005 0.000 0.191 593 N C 2.572 178.187 175.510 0.174 0.000 1.037 593 N CA 1.472 54.669 53.050 0.244 0.000 0.848 593 N CB -0.642 37.975 38.487 0.217 0.000 1.021 593 N HN 0.209 nan 8.380 nan 0.000 0.422 594 S N 0.892 116.640 115.700 0.079 0.000 2.382 594 S HA -0.042 4.431 4.470 0.005 0.000 0.228 594 S C 1.869 176.484 174.600 0.024 0.000 1.027 594 S CA 0.410 58.637 58.200 0.044 0.000 0.991 594 S CB -0.250 62.955 63.200 0.008 0.000 0.823 594 S HN 0.130 nan 8.310 nan 0.000 0.469 595 L N 1.755 122.920 121.223 -0.096 0.000 2.079 595 L HA -0.015 4.328 4.340 0.005 0.000 0.210 595 L C 1.922 178.845 176.870 0.087 0.000 1.081 595 L CA 1.398 56.133 54.840 -0.175 0.000 0.752 595 L CB -0.893 40.652 42.059 -0.857 0.000 0.896 595 L HN 0.324 nan 8.230 nan 0.000 0.433 596 I N -1.128 119.534 120.570 0.153 0.000 2.142 596 I HA -0.359 3.814 4.170 0.005 0.000 0.240 596 I C 2.701 179.046 176.117 0.379 0.000 1.078 596 I CA 1.402 62.900 61.300 0.330 0.000 1.343 596 I CB -0.329 37.890 38.000 0.365 0.000 1.046 596 I HN 0.248 nan 8.210 nan 0.000 0.405 597 R N 0.481 121.197 120.500 0.361 0.000 2.083 597 R HA -0.186 4.157 4.340 0.005 0.000 0.237 597 R C 2.303 178.742 176.300 0.232 0.000 1.137 597 R CA 2.280 58.579 56.100 0.331 0.000 0.951 597 R CB -0.361 30.071 30.300 0.220 0.000 0.851 597 R HN 0.276 nan 8.270 nan 0.000 0.434 598 T N -0.086 114.581 114.554 0.188 0.000 2.652 598 T HA -0.190 4.163 4.350 0.005 0.000 0.267 598 T C 1.448 176.224 174.700 0.127 0.000 1.039 598 T CA 1.789 63.955 62.100 0.109 0.000 1.153 598 T CB -0.429 68.465 68.868 0.044 0.000 0.863 598 T HN 0.310 nan 8.240 nan 0.000 0.428 599 Y N 0.586 120.963 120.300 0.128 0.000 2.242 599 Y HA 0.050 4.603 4.550 0.005 0.000 0.291 599 Y C 2.535 178.533 175.900 0.163 0.000 1.137 599 Y CA 0.915 59.101 58.100 0.144 0.000 1.181 599 Y CB -0.414 38.222 38.460 0.293 0.000 0.989 599 Y HN 0.138 nan 8.280 nan 0.000 0.527 600 M N -0.099 119.710 119.600 0.348 0.000 2.108 600 M HA -0.242 4.241 4.480 0.005 0.000 0.261 600 M C 2.284 178.714 176.300 0.217 0.000 1.066 600 M CA 1.849 57.301 55.300 0.253 0.000 1.107 600 M CB -0.149 32.521 32.600 0.117 0.000 1.356 600 M HN 0.172 nan 8.290 nan 0.000 0.406 601 E N 0.815 121.105 120.200 0.150 0.000 2.153 601 E HA -0.218 4.135 4.350 0.005 0.000 0.194 601 E C 1.786 178.405 176.600 0.031 0.000 0.988 601 E CA 1.340 57.788 56.400 0.080 0.000 0.811 601 E CB -0.152 29.582 29.700 0.057 0.000 0.746 601 E HN 0.600 nan 8.360 nan 0.000 0.466 602 R N 0.023 120.538 120.500 0.024 0.000 2.152 602 R HA -0.086 4.257 4.340 0.005 0.000 0.232 602 R C 1.353 177.617 176.300 -0.059 0.000 1.117 602 R CA 1.449 57.530 56.100 -0.031 0.000 0.981 602 R CB 0.083 30.343 30.300 -0.065 0.000 0.870 602 R HN 0.162 nan 8.270 nan 0.000 0.451 603 D N -2.465 117.899 120.400 -0.059 0.000 2.449 603 D HA 0.102 4.745 4.640 0.005 0.000 0.255 603 D C -0.549 175.375 176.300 -0.627 0.000 1.121 603 D CA 0.370 54.184 54.000 -0.310 0.000 0.830 603 D CB 0.849 41.461 40.800 -0.315 0.000 1.280 603 D HN -0.005 nan 8.370 nan 0.000 0.522 604 Y N 0.190 120.444 120.300 -0.075 0.000 2.581 604 Y HA 0.439 4.992 4.550 0.005 0.000 0.345 604 Y C 0.045 175.890 175.900 -0.091 0.000 1.036 604 Y CA -0.939 57.105 58.100 -0.093 0.000 1.042 604 Y CB 1.595 39.990 38.460 -0.109 0.000 1.289 604 Y HN -0.323 nan 8.280 nan 0.000 0.471 605 I N 3.172 123.759 120.570 0.027 0.000 2.533 605 I HA 0.083 4.256 4.170 0.005 0.000 0.284 605 I C -0.192 175.963 176.117 0.063 0.000 1.109 605 I CA 0.285 61.551 61.300 -0.056 0.000 1.412 605 I CB 0.268 38.053 38.000 -0.358 0.000 1.396 605 I HN 0.341 nan 8.210 nan 0.000 0.543 606 I N 8.935 129.548 120.570 0.071 0.000 2.505 606 I HA 0.128 4.301 4.170 0.005 0.000 0.287 606 I C -1.919 174.280 176.117 0.137 0.000 1.104 606 I CA -1.485 59.893 61.300 0.130 0.000 1.387 606 I CB 0.137 38.225 38.000 0.147 0.000 1.404 606 I HN 0.302 nan 8.210 nan 0.000 0.528 607 P HA 0.124 nan 4.420 nan 0.000 0.275 607 P C 0.231 177.613 177.300 0.136 0.000 1.228 607 P CA -0.318 62.877 63.100 0.158 0.000 0.786 607 P CB 0.730 32.518 31.700 0.147 0.000 0.927 608 E N 0.006 120.269 120.200 0.105 0.000 2.152 608 E HA -0.053 4.300 4.350 0.005 0.000 0.192 608 E C 0.595 177.241 176.600 0.077 0.000 0.983 608 E CA 0.777 57.223 56.400 0.076 0.000 0.818 608 E CB 0.029 29.767 29.700 0.063 0.000 0.758 608 E HN 0.528 nan 8.360 nan 0.000 0.467 609 S N -0.587 115.168 115.700 0.093 0.000 2.616 609 S HA 0.118 4.591 4.470 0.005 0.000 0.277 609 S C 0.619 175.307 174.600 0.147 0.000 1.234 609 S CA -0.861 57.406 58.200 0.112 0.000 1.028 609 S CB 1.277 64.534 63.200 0.096 0.000 0.988 609 S HN 0.164 nan 8.310 nan 0.000 0.522 610 F N 2.185 122.150 119.950 0.025 0.000 2.102 610 F HA -0.010 4.520 4.527 0.005 0.000 0.298 610 F C 2.020 177.855 175.800 0.059 0.000 1.105 610 F CA 1.990 59.992 58.000 0.005 0.000 1.239 610 F CB -0.574 38.414 39.000 -0.020 0.000 0.991 610 F HN 0.756 nan 8.300 nan 0.000 0.474 611 E N 0.228 120.467 120.200 0.066 0.000 2.110 611 E HA -0.203 4.149 4.350 0.005 0.000 0.193 611 E C 1.809 178.391 176.600 -0.029 0.000 0.988 611 E CA 1.597 57.980 56.400 -0.028 0.000 0.804 611 E CB -0.365 29.386 29.700 0.086 0.000 0.745 611 E HN 0.412 nan 8.360 nan 0.000 0.458 612 D N -0.303 120.117 120.400 0.034 0.000 2.149 612 D HA -0.115 4.528 4.640 0.005 0.000 0.201 612 D C 1.552 177.874 176.300 0.037 0.000 0.972 612 D CA 0.514 54.568 54.000 0.090 0.000 0.835 612 D CB -0.278 40.581 40.800 0.098 0.000 0.966 612 D HN 0.125 nan 8.370 nan 0.000 0.476 613 F N 1.418 121.260 119.950 -0.179 0.000 2.095 613 F HA -0.230 4.300 4.527 0.005 0.000 0.298 613 F C 2.123 177.692 175.800 -0.386 0.000 1.104 613 F CA 1.100 58.936 58.000 -0.273 0.000 1.232 613 F CB -0.256 38.555 39.000 -0.316 0.000 0.987 613 F HN -0.215 nan 8.300 nan 0.000 0.475 614 V N 0.107 119.782 119.914 -0.398 0.000 2.287 614 V HA -0.344 3.779 4.120 0.005 0.000 0.248 614 V C 2.144 178.058 176.094 -0.299 0.000 1.053 614 V CA 2.304 64.345 62.300 -0.430 0.000 1.027 614 V CB -1.262 30.308 31.823 -0.421 0.000 0.646 614 V HN 0.621 nan 8.190 nan 0.000 0.447 615 Y N 1.007 121.154 120.300 -0.255 0.000 2.097 615 Y HA -0.244 4.309 4.550 0.005 0.000 0.282 615 Y C 2.341 178.067 175.900 -0.289 0.000 1.152 615 Y CA 2.059 60.048 58.100 -0.185 0.000 1.136 615 Y CB -0.746 37.690 38.460 -0.040 0.000 0.975 615 Y HN 0.048 nan 8.280 nan 0.000 0.498 616 V N 0.665 120.096 119.914 -0.805 0.000 2.427 616 V HA -0.224 3.899 4.120 0.005 0.000 0.248 616 V C 2.666 178.224 176.094 -0.894 0.000 1.051 616 V CA 1.834 63.538 62.300 -0.995 0.000 1.048 616 V CB -1.589 29.811 31.823 -0.705 0.000 0.666 616 V HN 0.661 nan 8.190 nan 0.000 0.456 617 G N -0.203 108.117 108.800 -0.801 0.000 2.432 617 G HA2 -0.202 3.761 3.960 0.005 0.000 0.219 617 G HA3 -0.202 3.761 3.960 0.005 0.000 0.219 617 G C 1.577 176.186 174.900 -0.486 0.000 1.135 617 G CA 0.852 45.575 45.100 -0.628 0.000 0.767 617 G HN 0.476 nan 8.290 nan 0.000 0.550 618 L N 0.099 121.003 121.223 -0.531 0.000 2.027 618 L HA -0.062 4.281 4.340 0.005 0.000 0.206 618 L C 2.993 179.439 176.870 -0.707 0.000 1.074 618 L CA 0.438 54.923 54.840 -0.590 0.000 0.745 618 L CB -0.525 41.135 42.059 -0.665 0.000 0.898 618 L HN 0.074 nan 8.230 nan 0.000 0.433 619 V N 0.108 119.582 119.914 -0.733 0.000 2.287 619 V HA -0.309 3.813 4.120 0.005 0.000 0.248 619 V C 2.416 178.166 176.094 -0.573 0.000 1.053 619 V CA 1.921 63.834 62.300 -0.646 0.000 1.027 619 V CB -0.498 30.909 31.823 -0.693 0.000 0.646 619 V HN 0.361 nan 8.190 nan 0.000 0.447 620 L N 0.114 120.945 121.223 -0.654 0.000 1.989 620 L HA -0.239 4.104 4.340 0.005 0.000 0.211 620 L C 2.526 179.112 176.870 -0.473 0.000 1.071 620 L CA 2.488 57.042 54.840 -0.478 0.000 0.749 620 L CB -0.898 40.926 42.059 -0.392 0.000 0.890 620 L HN 0.404 nan 8.230 nan 0.000 0.431 621 Q N -0.709 118.873 119.800 -0.365 0.000 2.096 621 Q HA -0.182 4.161 4.340 0.005 0.000 0.204 621 Q C 2.027 177.761 176.000 -0.444 0.000 0.982 621 Q CA 1.861 57.496 55.803 -0.279 0.000 0.850 621 Q CB -0.514 28.151 28.738 -0.123 0.000 0.901 621 Q HN 0.689 nan 8.270 nan 0.000 0.422 622 G N 0.457 108.976 108.800 -0.468 0.000 2.433 622 G HA2 -0.270 3.693 3.960 0.005 0.000 0.216 622 G HA3 -0.270 3.693 3.960 0.005 0.000 0.216 622 G C 1.381 176.025 174.900 -0.427 0.000 1.186 622 G CA 0.634 45.462 45.100 -0.453 0.000 0.779 622 G HN 0.304 nan 8.290 nan 0.000 0.543 623 Q N 0.363 119.909 119.800 -0.422 0.000 2.046 623 Q HA -0.044 4.299 4.340 0.005 0.000 0.200 623 Q C 2.861 178.544 176.000 -0.528 0.000 0.975 623 Q CA 1.461 57.043 55.803 -0.368 0.000 0.836 623 Q CB -0.828 27.757 28.738 -0.255 0.000 0.896 623 Q HN 0.441 nan 8.270 nan 0.000 0.428 624 G N 0.764 108.976 108.800 -0.979 0.000 2.421 624 G HA2 -0.218 3.745 3.960 0.005 0.000 0.216 624 G HA3 -0.218 3.745 3.960 0.005 0.000 0.216 624 G C 1.475 175.843 174.900 -0.887 0.000 1.171 624 G CA 0.658 44.657 45.100 -1.835 0.000 0.775 624 G HN 0.148 nan 8.290 nan 0.000 0.543 625 M N 0.608 119.832 119.600 -0.627 0.000 2.117 625 M HA 0.007 4.490 4.480 0.005 0.000 0.262 625 M C 2.495 178.686 176.300 -0.182 0.000 1.065 625 M CA 0.927 56.071 55.300 -0.260 0.000 1.114 625 M CB -0.962 31.387 32.600 -0.418 0.000 1.361 625 M HN 0.266 nan 8.290 nan 0.000 0.408 626 R N 0.003 120.326 120.500 -0.294 0.000 2.117 626 R HA -0.229 4.114 4.340 0.005 0.000 0.243 626 R C 1.851 178.060 176.300 -0.152 0.000 1.143 626 R CA 2.078 58.032 56.100 -0.243 0.000 0.968 626 R CB -1.146 29.003 30.300 -0.251 0.000 0.863 626 R HN 0.455 nan 8.270 nan 0.000 0.444 627 H N -0.500 118.443 119.070 -0.213 0.000 2.387 627 H HA 0.010 4.569 4.556 0.005 0.000 0.299 627 H C 1.857 177.080 175.328 -0.175 0.000 1.090 627 H CA 2.295 58.248 56.048 -0.159 0.000 1.332 627 H CB -0.493 29.186 29.762 -0.138 0.000 1.386 627 H HN 0.400 nan 8.280 nan 0.000 0.516 628 G N 0.209 108.942 108.800 -0.111 0.000 2.404 628 G HA2 -0.191 3.772 3.960 0.005 0.000 0.215 628 G HA3 -0.191 3.772 3.960 0.005 0.000 0.215 628 G C 1.702 176.171 174.900 -0.719 0.000 1.174 628 G CA 0.816 45.674 45.100 -0.404 0.000 0.780 628 G HN 0.403 nan 8.290 nan 0.000 0.537 629 L N 0.090 121.185 121.223 -0.213 0.000 2.083 629 L HA -0.075 4.268 4.340 0.005 0.000 0.209 629 L C 2.855 179.652 176.870 -0.122 0.000 1.083 629 L CA 1.287 56.107 54.840 -0.033 0.000 0.752 629 L CB -0.401 41.633 42.059 -0.041 0.000 0.899 629 L HN 0.284 nan 8.230 nan 0.000 0.433 630 E N 0.099 120.163 120.200 -0.226 0.000 2.072 630 E HA -0.186 4.167 4.350 0.005 0.000 0.191 630 E C 2.336 178.759 176.600 -0.294 0.000 0.985 630 E CA 1.080 57.344 56.400 -0.227 0.000 0.801 630 E CB -0.162 29.399 29.700 -0.233 0.000 0.750 630 E HN 0.487 nan 8.360 nan 0.000 0.452 631 A N 0.719 123.283 122.820 -0.427 0.000 1.972 631 A HA -0.215 4.108 4.320 0.005 0.000 0.219 631 A C 1.627 179.095 177.584 -0.194 0.000 1.169 631 A CA 1.576 53.389 52.037 -0.374 0.000 0.635 631 A CB -0.789 17.959 19.000 -0.420 0.000 0.810 631 A HN 0.331 nan 8.150 nan 0.000 0.446 632 H N -1.120 117.895 119.070 -0.091 0.000 2.363 632 H HA 0.011 4.569 4.556 0.005 0.000 0.301 632 H C 2.432 177.818 175.328 0.098 0.000 1.074 632 H CA 1.078 57.154 56.048 0.047 0.000 1.354 632 H CB -0.012 29.803 29.762 0.089 0.000 1.397 632 H HN 0.364 nan 8.280 nan 0.000 0.516 633 R N 0.673 121.168 120.500 -0.009 0.000 2.096 633 R HA -0.091 4.251 4.340 0.005 0.000 0.235 633 R C 2.389 178.512 176.300 -0.295 0.000 1.127 633 R CA 0.921 56.724 56.100 -0.494 0.000 0.968 633 R CB -0.141 29.904 30.300 -0.425 0.000 0.861 633 R HN 0.263 nan 8.270 nan 0.000 0.440 634 R N 0.775 121.145 120.500 -0.217 0.000 2.152 634 R HA -0.047 4.296 4.340 0.005 0.000 0.232 634 R C 0.845 177.035 176.300 -0.183 0.000 1.117 634 R CA 1.162 57.098 56.100 -0.274 0.000 0.981 634 R CB 0.070 30.101 30.300 -0.448 0.000 0.870 634 R HN 0.186 nan 8.270 nan 0.000 0.451 635 N N 0.944 119.604 118.700 -0.066 0.000 2.279 635 N HA -0.031 4.712 4.740 0.005 0.000 0.226 635 N C -0.424 175.184 175.510 0.162 0.000 1.126 635 N CA -0.097 52.978 53.050 0.042 0.000 0.846 635 N CB 0.386 38.911 38.487 0.064 0.000 1.050 635 N HN 0.192 nan 8.380 nan 0.000 0.502 636 R N 2.389 122.964 120.500 0.126 0.000 2.590 636 R HA 0.075 4.418 4.340 0.005 0.000 0.274 636 R C -1.545 174.841 176.300 0.144 0.000 1.061 636 R CA -0.673 55.538 56.100 0.185 0.000 1.081 636 R CB 0.708 31.078 30.300 0.116 0.000 0.984 636 R HN -0.015 nan 8.270 nan 0.000 0.448 637 P HA -0.035 nan 4.420 nan 0.000 0.261 637 P C 0.564 177.966 177.300 0.171 0.000 1.268 637 P CA 0.232 63.417 63.100 0.142 0.000 0.833 637 P CB -0.044 31.690 31.700 0.055 0.000 1.231 638 Y N 0.998 121.365 120.300 0.111 0.000 2.102 638 Y HA -0.202 4.351 4.550 0.004 0.000 0.280 638 Y C 1.179 177.171 175.900 0.153 0.000 1.178 638 Y CA 1.352 59.527 58.100 0.125 0.000 1.146 638 Y CB -0.552 37.976 38.460 0.113 0.000 0.968 638 Y HN 0.039 nan 8.280 nan 0.000 0.504 639 C N 1.900 121.408 119.300 0.347 0.000 2.341 639 C HA 0.424 4.887 4.460 0.005 0.000 0.338 639 C C 0.540 175.699 174.990 0.283 0.000 1.257 639 C CA -0.815 58.363 59.018 0.266 0.000 1.883 639 C CB 0.175 28.096 27.740 0.302 0.000 2.334 639 C HN 0.593 nan 8.230 nan 0.000 0.524 640 M N 4.613 124.270 119.600 0.095 0.000 2.502 640 M HA 0.335 4.818 4.480 0.005 0.000 0.351 640 M C 0.399 176.224 176.300 -0.791 0.000 1.118 640 M CA 0.127 55.399 55.300 -0.047 0.000 0.952 640 M CB 0.060 32.801 32.600 0.236 0.000 1.424 640 M HN 1.001 nan 8.290 nan 0.000 0.529 641 G N -0.444 107.569 108.800 -1.311 0.000 2.442 641 G HA2 0.393 4.356 3.960 0.005 0.000 0.296 641 G HA3 0.393 4.356 3.960 0.005 0.000 0.296 641 G C -1.667 172.471 174.900 -1.269 0.000 1.564 641 G CA -0.378 43.637 45.100 -1.809 0.000 0.828 641 G HN -0.086 nan 8.290 nan 0.000 0.571 642 T N 0.578 114.699 114.554 -0.722 0.000 3.011 642 T HA 0.601 4.954 4.350 0.005 0.000 0.303 642 T C -1.080 173.611 174.700 -0.014 0.000 0.997 642 T CA -0.472 61.506 62.100 -0.203 0.000 1.007 642 T CB 0.682 69.751 68.868 0.334 0.000 1.017 642 T HN 0.528 nan 8.240 nan 0.000 0.443 643 L N 6.718 127.958 121.223 0.029 0.000 2.345 643 L HA 0.498 4.841 4.340 0.005 0.000 0.274 643 L C -0.270 176.634 176.870 0.057 0.000 0.999 643 L CA -1.287 53.549 54.840 -0.006 0.000 0.849 643 L CB 0.845 42.865 42.059 -0.064 0.000 1.220 643 L HN 0.737 nan 8.230 nan 0.000 0.422 644 Y N 0.562 120.877 120.300 0.025 0.000 2.314 644 Y HA 0.246 4.798 4.550 0.005 0.000 0.334 644 Y C -0.259 175.504 175.900 -0.229 0.000 1.266 644 Y CA -0.844 57.128 58.100 -0.213 0.000 1.391 644 Y CB 0.729 38.915 38.460 -0.456 0.000 1.306 644 Y HN 0.532 nan 8.280 nan 0.000 0.558 645 W N 6.420 127.615 121.300 -0.176 0.000 2.308 645 W HA 0.348 5.011 4.660 0.005 0.000 0.311 645 W C -1.395 175.128 176.519 0.006 0.000 1.088 645 W CA -0.569 56.688 57.345 -0.145 0.000 1.309 645 W CB 1.087 30.532 29.460 -0.024 0.000 1.229 645 W HN 0.920 nan 8.180 nan 0.000 0.427 646 Q N 3.993 123.521 119.800 -0.454 0.000 2.501 646 Q HA 0.246 4.589 4.340 0.005 0.000 0.288 646 Q C -0.463 175.191 176.000 -0.575 0.000 1.051 646 Q CA -0.843 54.296 55.803 -1.108 0.000 0.788 646 Q CB 1.815 29.463 28.738 -1.817 0.000 1.469 646 Q HN 0.387 nan 8.270 nan 0.000 0.416 647 L N 1.226 122.044 121.223 -0.675 0.000 2.044 647 L HA 0.048 4.391 4.340 0.005 0.000 0.205 647 L C 0.021 176.661 176.870 -0.383 0.000 1.075 647 L CA 2.032 56.616 54.840 -0.428 0.000 0.747 647 L CB -0.223 41.592 42.059 -0.408 0.000 0.903 647 L HN 0.899 nan 8.230 nan 0.000 0.435 648 N N -2.439 115.951 118.700 -0.516 0.000 2.972 648 N HA 0.276 5.019 4.740 0.005 0.000 0.262 648 N C -1.676 173.534 175.510 -0.500 0.000 1.478 648 N CA -0.668 52.117 53.050 -0.442 0.000 0.841 648 N CB 1.137 39.378 38.487 -0.411 0.000 1.512 648 N HN -0.148 nan 8.380 nan 0.000 0.548 649 D N -0.927 119.263 120.400 -0.351 0.000 2.527 649 D HA 0.316 4.959 4.640 0.005 0.000 0.233 649 D C 0.326 176.555 176.300 -0.119 0.000 1.063 649 D CA -0.360 53.478 54.000 -0.270 0.000 0.880 649 D CB 2.219 42.928 40.800 -0.151 0.000 1.457 649 D HN 0.590 nan 8.370 nan 0.000 0.475 650 S N 0.126 115.808 115.700 -0.031 0.000 2.524 650 S HA 0.152 4.625 4.470 0.005 0.000 0.216 650 S C 0.390 174.981 174.600 -0.014 0.000 0.987 650 S CA -0.200 58.066 58.200 0.109 0.000 0.909 650 S CB 0.251 63.583 63.200 0.220 0.000 0.781 650 S HN 0.597 nan 8.310 nan 0.000 0.521 651 W N -0.804 120.097 121.300 -0.665 0.000 2.986 651 W HA 0.490 5.153 4.660 0.005 0.000 0.345 651 W C -3.887 172.117 176.519 -0.858 0.000 1.191 651 W CA -2.435 53.982 57.345 -1.546 0.000 1.170 651 W CB -0.286 28.122 29.460 -1.755 0.000 1.438 651 W HN -0.241 nan 8.180 nan 0.000 0.567 652 P HA 0.336 nan 4.420 nan 0.000 0.270 652 P C -0.437 176.110 177.300 -1.254 0.000 1.242 652 P CA 0.522 63.236 63.100 -0.644 0.000 0.768 652 P CB 1.256 32.914 31.700 -0.070 0.000 0.820 653 V N 4.250 123.625 119.914 -0.898 0.000 3.264 653 V HA 0.266 4.389 4.120 0.005 0.000 0.294 653 V C -1.214 174.584 176.094 -0.493 0.000 1.429 653 V CA -0.928 60.823 62.300 -0.914 0.000 1.053 653 V CB 2.544 33.747 31.823 -1.033 0.000 1.128 653 V HN 0.034 nan 8.190 nan 0.000 0.452 654 V N 4.362 123.984 119.914 -0.487 0.000 2.432 654 V HA 0.769 4.892 4.120 0.005 0.000 0.271 654 V C 0.354 176.176 176.094 -0.454 0.000 1.046 654 V CA 0.910 62.888 62.300 -0.536 0.000 0.945 654 V CB 0.615 31.971 31.823 -0.778 0.000 0.992 654 V HN 1.199 nan 8.190 nan 0.000 0.471 655 S N 3.918 119.336 115.700 -0.471 0.000 2.672 655 S HA 0.414 4.887 4.470 0.005 0.000 0.271 655 S C -0.261 174.025 174.600 -0.522 0.000 1.171 655 S CA -0.843 57.090 58.200 -0.446 0.000 0.817 655 S CB 1.098 64.280 63.200 -0.031 0.000 1.150 655 S HN 0.539 nan 8.310 nan 0.000 0.478 656 W N 2.517 123.681 121.300 -0.227 0.000 3.292 656 W HA 0.180 4.842 4.660 0.005 0.000 0.263 656 W C 1.122 177.485 176.519 -0.259 0.000 1.318 656 W CA 0.178 57.384 57.345 -0.231 0.000 1.663 656 W CB -0.594 28.882 29.460 0.027 0.000 1.114 656 W HN 0.777 nan 8.180 nan 0.000 0.706 657 S N 0.432 116.064 115.700 -0.114 0.000 2.579 657 S HA 0.080 4.553 4.470 0.005 0.000 0.275 657 S C 1.218 175.714 174.600 -0.173 0.000 1.345 657 S CA 0.170 58.250 58.200 -0.201 0.000 1.031 657 S CB 1.710 64.758 63.200 -0.253 0.000 0.892 657 S HN 0.119 nan 8.310 nan 0.000 0.529 658 S N 1.114 116.734 115.700 -0.134 0.000 2.517 658 S HA 0.324 4.797 4.470 0.005 0.000 0.214 658 S C 0.261 174.750 174.600 -0.186 0.000 0.991 658 S CA -0.415 57.700 58.200 -0.141 0.000 0.906 658 S CB -0.594 62.594 63.200 -0.020 0.000 0.789 658 S HN 0.708 nan 8.310 nan 0.000 0.513 659 I N 3.267 123.697 120.570 -0.232 0.000 2.478 659 I HA 0.337 4.510 4.170 0.005 0.000 0.287 659 I C -0.886 175.138 176.117 -0.154 0.000 1.042 659 I CA -1.001 60.156 61.300 -0.239 0.000 1.067 659 I CB 1.952 39.718 38.000 -0.390 0.000 1.233 659 I HN 0.144 nan 8.210 nan 0.000 0.431 660 D N 4.550 124.916 120.400 -0.058 0.000 2.393 660 D HA -0.101 4.542 4.640 0.005 0.000 0.246 660 D C 1.031 177.312 176.300 -0.031 0.000 1.275 660 D CA -0.031 53.954 54.000 -0.025 0.000 0.979 660 D CB 0.528 41.370 40.800 0.069 0.000 1.101 660 D HN 0.534 nan 8.370 nan 0.000 0.505 661 Y N -0.256 119.937 120.300 -0.178 0.000 2.207 661 Y HA -0.222 4.330 4.550 0.005 0.000 0.287 661 Y C 1.192 176.903 175.900 -0.314 0.000 1.156 661 Y CA 1.485 59.400 58.100 -0.307 0.000 1.182 661 Y CB -0.387 37.795 38.460 -0.463 0.000 0.979 661 Y HN 0.415 nan 8.280 nan 0.000 0.521 662 Y N -0.067 120.184 120.300 -0.081 0.000 2.471 662 Y HA 0.270 4.823 4.550 0.005 0.000 0.286 662 Y C 1.885 177.746 175.900 -0.065 0.000 1.188 662 Y CA 0.363 58.398 58.100 -0.108 0.000 1.286 662 Y CB -0.106 38.380 38.460 0.045 0.000 1.072 662 Y HN 0.236 nan 8.280 nan 0.000 0.517 663 G N -0.061 108.755 108.800 0.027 0.000 2.159 663 G HA2 -0.279 3.684 3.960 0.005 0.000 0.256 663 G HA3 -0.279 3.684 3.960 0.005 0.000 0.256 663 G C -0.145 174.853 174.900 0.164 0.000 0.977 663 G CA -0.275 44.853 45.100 0.048 0.000 0.652 663 G HN 0.322 nan 8.290 nan 0.000 0.531 664 N N 0.387 119.205 118.700 0.197 0.000 2.470 664 N HA 0.254 4.997 4.740 0.005 0.000 0.268 664 N C -0.028 175.667 175.510 0.310 0.000 1.136 664 N CA 0.031 53.244 53.050 0.271 0.000 0.961 664 N CB 0.452 39.103 38.487 0.272 0.000 1.067 664 N HN 0.220 nan 8.380 nan 0.000 0.468 665 W N 2.532 123.851 121.300 0.032 0.000 2.303 665 W HA 0.160 4.823 4.660 0.005 0.000 0.318 665 W C 1.111 177.685 176.519 0.091 0.000 1.362 665 W CA -0.354 56.947 57.345 -0.072 0.000 1.234 665 W CB -0.032 29.234 29.460 -0.322 0.000 1.248 665 W HN 0.199 nan 8.180 nan 0.000 0.546 666 K N 2.177 122.654 120.400 0.128 0.000 2.132 666 K HA 0.351 4.673 4.320 0.005 0.000 0.240 666 K C 1.304 177.814 176.600 -0.150 0.000 1.036 666 K CA 0.005 56.248 56.287 -0.074 0.000 0.888 666 K CB 0.534 32.905 32.500 -0.216 0.000 1.071 666 K HN 0.456 nan 8.250 nan 0.000 0.502 667 A N 1.254 123.537 122.820 -0.895 0.000 1.927 667 A HA -0.216 4.107 4.320 0.005 0.000 0.220 667 A C 2.016 179.409 177.584 -0.319 0.000 1.185 667 A CA 1.767 53.261 52.037 -0.904 0.000 0.639 667 A CB -0.628 17.530 19.000 -1.402 0.000 0.820 667 A HN 0.651 nan 8.150 nan 0.000 0.451 668 L N -0.825 120.158 121.223 -0.400 0.000 2.089 668 L HA -0.239 4.104 4.340 0.005 0.000 0.213 668 L C 2.217 178.852 176.870 -0.392 0.000 1.079 668 L CA 2.860 57.453 54.840 -0.412 0.000 0.758 668 L CB -1.029 40.755 42.059 -0.460 0.000 0.891 668 L HN 0.614 nan 8.230 nan 0.000 0.433 669 H N -2.197 116.639 119.070 -0.391 0.000 2.357 669 H HA -0.152 4.407 4.556 0.005 0.000 0.301 669 H C 1.930 176.993 175.328 -0.442 0.000 1.082 669 H CA 2.276 57.974 56.048 -0.584 0.000 1.342 669 H CB -0.170 28.979 29.762 -1.022 0.000 1.389 669 H HN 0.466 nan 8.280 nan 0.000 0.511 670 Y N 0.073 120.408 120.300 0.058 0.000 2.224 670 Y HA -0.205 4.348 4.550 0.005 0.000 0.289 670 Y C 2.557 178.427 175.900 -0.051 0.000 1.146 670 Y CA 1.063 59.272 58.100 0.180 0.000 1.182 670 Y CB -0.103 38.539 38.460 0.305 0.000 0.983 670 Y HN 0.259 nan 8.280 nan 0.000 0.524 671 Q N -0.192 119.592 119.800 -0.027 0.000 2.167 671 Q HA -0.094 4.249 4.340 0.005 0.000 0.202 671 Q C 2.570 178.372 176.000 -0.330 0.000 0.970 671 Q CA 1.187 56.894 55.803 -0.160 0.000 0.855 671 Q CB -0.558 28.039 28.738 -0.236 0.000 0.911 671 Q HN 0.541 nan 8.270 nan 0.000 0.438 672 A N 1.669 124.183 122.820 -0.510 0.000 1.898 672 A HA -0.212 4.111 4.320 0.005 0.000 0.216 672 A C 2.157 179.365 177.584 -0.626 0.000 1.181 672 A CA 1.752 53.318 52.037 -0.785 0.000 0.620 672 A CB -0.447 18.066 19.000 -0.813 0.000 0.819 672 A HN 0.308 nan 8.150 nan 0.000 0.442 673 K N -0.231 119.945 120.400 -0.374 0.000 2.020 673 K HA -0.227 4.096 4.320 0.005 0.000 0.212 673 K C 2.254 178.836 176.600 -0.030 0.000 1.050 673 K CA 1.784 58.002 56.287 -0.115 0.000 0.929 673 K CB -0.243 32.269 32.500 0.021 0.000 0.714 673 K HN 0.446 nan 8.250 nan 0.000 0.443 674 R N -0.063 120.415 120.500 -0.038 0.000 2.096 674 R HA -0.140 4.203 4.340 0.005 0.000 0.240 674 R C 2.419 178.691 176.300 -0.046 0.000 1.139 674 R CA 1.598 57.690 56.100 -0.015 0.000 0.952 674 R CB -0.506 29.791 30.300 -0.005 0.000 0.854 674 R HN 0.318 nan 8.270 nan 0.000 0.436 675 A N 0.104 122.831 122.820 -0.156 0.000 2.067 675 A HA -0.081 4.242 4.320 0.005 0.000 0.219 675 A C 1.255 178.855 177.584 0.026 0.000 1.158 675 A CA 0.988 52.931 52.037 -0.156 0.000 0.661 675 A CB -0.157 18.649 19.000 -0.324 0.000 0.801 675 A HN 0.204 nan 8.150 nan 0.000 0.452 676 F N -0.425 119.503 119.950 -0.037 0.000 2.695 676 F HA 0.460 4.990 4.527 0.005 0.000 0.303 676 F C 1.426 177.215 175.800 -0.019 0.000 1.091 676 F CA -0.960 57.026 58.000 -0.023 0.000 1.300 676 F CB -0.893 38.092 39.000 -0.025 0.000 1.071 676 F HN 0.163 nan 8.300 nan 0.000 0.578 677 A N 1.548 124.463 122.820 0.157 0.000 2.565 677 A HA 0.110 4.433 4.320 0.005 0.000 0.237 677 A C -1.197 176.436 177.584 0.081 0.000 1.053 677 A CA -0.674 51.423 52.037 0.099 0.000 0.755 677 A CB -0.239 18.802 19.000 0.068 0.000 0.980 677 A HN 0.083 nan 8.150 nan 0.000 0.506 678 P HA -0.096 nan 4.420 nan 0.000 0.216 678 P C 0.045 177.381 177.300 0.060 0.000 1.157 678 P CA 1.162 64.304 63.100 0.071 0.000 0.880 678 P CB 0.031 31.779 31.700 0.079 0.000 0.791 679 V N 0.211 120.157 119.914 0.052 0.000 2.417 679 V HA 0.403 4.525 4.120 0.005 0.000 0.291 679 V C -0.318 175.797 176.094 0.035 0.000 1.024 679 V CA -0.710 61.615 62.300 0.041 0.000 0.861 679 V CB 1.688 33.535 31.823 0.040 0.000 0.985 679 V HN -0.162 nan 8.190 nan 0.000 0.436 680 L N 6.510 127.749 121.223 0.027 0.000 2.409 680 L HA 0.671 5.013 4.340 0.005 0.000 0.272 680 L C -0.723 176.163 176.870 0.026 0.000 0.980 680 L CA -0.075 54.778 54.840 0.022 0.000 0.826 680 L CB 1.746 43.811 42.059 0.010 0.000 1.268 680 L HN 0.570 nan 8.230 nan 0.000 0.407 681 I N 4.669 125.255 120.570 0.026 0.000 2.312 681 I HA 0.297 4.470 4.170 0.005 0.000 0.291 681 I C 0.135 176.272 176.117 0.034 0.000 1.031 681 I CA 0.033 61.352 61.300 0.032 0.000 1.293 681 I CB 0.679 38.693 38.000 0.023 0.000 1.403 681 I HN 0.651 nan 8.210 nan 0.000 0.484 682 N N 8.804 127.537 118.700 0.054 0.000 2.626 682 N HA 0.343 5.086 4.740 0.005 0.000 0.242 682 N C -2.667 172.887 175.510 0.073 0.000 1.005 682 N CA -1.620 51.454 53.050 0.040 0.000 0.905 682 N CB 1.433 39.920 38.487 -0.001 0.000 1.128 682 N HN 0.245 nan 8.380 nan 0.000 0.512 683 P HA 0.190 nan 4.420 nan 0.000 0.281 683 P C -0.853 176.412 177.300 -0.057 0.000 1.252 683 P CA -0.342 62.718 63.100 -0.066 0.000 0.778 683 P CB 1.290 32.836 31.700 -0.256 0.000 0.895 684 I N 2.124 122.697 120.570 0.005 0.000 2.499 684 I HA 0.338 4.511 4.170 0.005 0.000 0.288 684 I C -1.008 175.174 176.117 0.109 0.000 1.048 684 I CA -0.844 60.500 61.300 0.074 0.000 1.062 684 I CB 2.080 40.105 38.000 0.041 0.000 1.238 684 I HN 0.270 nan 8.210 nan 0.000 0.426 685 Q N 6.767 126.676 119.800 0.183 0.000 2.341 685 Q HA 0.617 4.960 4.340 0.005 0.000 0.268 685 Q C -1.692 174.419 176.000 0.185 0.000 1.013 685 Q CA -0.523 55.407 55.803 0.213 0.000 0.798 685 Q CB 1.263 30.212 28.738 0.353 0.000 1.253 685 Q HN 0.763 nan 8.270 nan 0.000 0.457 686 Q N 2.353 122.242 119.800 0.149 0.000 2.416 686 Q HA 0.389 4.732 4.340 0.005 0.000 0.281 686 Q C -0.761 175.299 176.000 0.100 0.000 1.067 686 Q CA -0.971 54.903 55.803 0.118 0.000 0.809 686 Q CB 1.720 30.520 28.738 0.105 0.000 1.418 686 Q HN 0.767 nan 8.270 nan 0.000 0.411 687 N N 1.822 120.570 118.700 0.081 0.000 2.740 687 N HA -0.221 4.522 4.740 0.005 0.000 0.248 687 N C -0.882 174.670 175.510 0.069 0.000 1.062 687 N CA 1.574 54.663 53.050 0.065 0.000 0.704 687 N CB -0.878 37.644 38.487 0.058 0.000 0.968 687 N HN 1.010 nan 8.380 nan 0.000 0.547 688 D N -1.211 119.237 120.400 0.079 0.000 2.772 688 D HA -0.176 4.467 4.640 0.005 0.000 0.233 688 D C -0.811 175.550 176.300 0.101 0.000 1.143 688 D CA 1.628 55.676 54.000 0.080 0.000 0.700 688 D CB -0.755 40.075 40.800 0.050 0.000 1.076 688 D HN 0.556 nan 8.370 nan 0.000 0.430 689 S N -0.884 114.892 115.700 0.127 0.000 2.564 689 S HA 0.701 5.174 4.470 0.005 0.000 0.274 689 S C -1.698 173.011 174.600 0.182 0.000 1.124 689 S CA -0.979 57.307 58.200 0.144 0.000 0.869 689 S CB 1.369 64.626 63.200 0.096 0.000 1.105 689 S HN 0.303 nan 8.310 nan 0.000 0.472 690 L N 3.226 124.582 121.223 0.223 0.000 2.313 690 L HA 0.767 5.110 4.340 0.005 0.000 0.283 690 L C -0.509 176.460 176.870 0.164 0.000 1.013 690 L CA 0.271 55.249 54.840 0.230 0.000 0.816 690 L CB 1.670 43.963 42.059 0.390 0.000 1.236 690 L HN 0.638 nan 8.230 nan 0.000 0.419 691 S N 3.032 118.819 115.700 0.145 0.000 2.578 691 S HA 0.818 5.291 4.470 0.005 0.000 0.301 691 S C -1.052 173.648 174.600 0.167 0.000 1.091 691 S CA -0.587 57.690 58.200 0.129 0.000 1.032 691 S CB 2.031 65.337 63.200 0.176 0.000 1.064 691 S HN 0.411 nan 8.310 nan 0.000 0.508 692 V N 2.942 122.931 119.914 0.125 0.000 2.444 692 V HA 0.437 4.560 4.120 0.005 0.000 0.294 692 V C -1.432 174.686 176.094 0.039 0.000 1.022 692 V CA -0.613 61.766 62.300 0.131 0.000 0.850 692 V CB 0.843 32.735 31.823 0.115 0.000 0.992 692 V HN 0.850 nan 8.190 nan 0.000 0.426 693 Y N 4.308 124.616 120.300 0.013 0.000 2.457 693 Y HA 0.686 5.238 4.550 0.005 0.000 0.333 693 Y C 0.091 175.989 175.900 -0.004 0.000 1.119 693 Y CA -0.892 57.210 58.100 0.004 0.000 1.143 693 Y CB 1.849 40.301 38.460 -0.013 0.000 1.230 693 Y HN 0.411 nan 8.280 nan 0.000 0.469 694 L N 4.670 125.973 121.223 0.133 0.000 2.313 694 L HA 0.574 4.917 4.340 0.005 0.000 0.283 694 L C -0.990 175.929 176.870 0.082 0.000 1.013 694 L CA -0.516 54.372 54.840 0.079 0.000 0.816 694 L CB 1.360 43.442 42.059 0.038 0.000 1.236 694 L HN 0.492 nan 8.230 nan 0.000 0.419 695 I N 2.254 122.854 120.570 0.051 0.000 2.418 695 I HA 0.353 4.526 4.170 0.005 0.000 0.287 695 I C -0.285 175.839 176.117 0.010 0.000 1.008 695 I CA -0.203 61.106 61.300 0.016 0.000 1.104 695 I CB 2.152 40.133 38.000 -0.032 0.000 1.264 695 I HN 0.518 nan 8.210 nan 0.000 0.438 696 S N 3.994 119.704 115.700 0.017 0.000 2.561 696 S HA 0.379 4.852 4.470 0.005 0.000 0.303 696 S C -0.345 174.294 174.600 0.064 0.000 1.110 696 S CA -0.636 57.589 58.200 0.040 0.000 1.034 696 S CB 1.212 64.441 63.200 0.048 0.000 1.010 696 S HN 0.567 nan 8.310 nan 0.000 0.482 697 D N 3.222 123.681 120.400 0.098 0.000 2.388 697 D HA 0.184 4.827 4.640 0.005 0.000 0.221 697 D C 0.324 176.819 176.300 0.325 0.000 1.133 697 D CA -0.019 54.105 54.000 0.206 0.000 0.831 697 D CB 0.383 41.271 40.800 0.148 0.000 0.962 697 D HN 0.464 nan 8.370 nan 0.000 0.502 698 R N 0.211 120.826 120.500 0.191 0.000 2.679 698 R HA 0.261 4.604 4.340 0.005 0.000 0.269 698 R C 1.566 177.899 176.300 0.055 0.000 1.076 698 R CA -0.271 55.918 56.100 0.148 0.000 1.160 698 R CB 1.314 31.659 30.300 0.075 0.000 1.054 698 R HN 0.003 nan 8.270 nan 0.000 0.507 699 L N 0.892 122.062 121.223 -0.089 0.000 2.418 699 L HA -0.021 4.322 4.340 0.005 0.000 0.218 699 L C 0.493 177.279 176.870 -0.139 0.000 1.125 699 L CA 0.507 55.188 54.840 -0.266 0.000 0.835 699 L CB -0.284 41.510 42.059 -0.441 0.000 0.953 699 L HN 0.718 nan 8.230 nan 0.000 0.454 700 D N -1.149 119.210 120.400 -0.068 0.000 2.198 700 D HA 0.132 4.775 4.640 0.005 0.000 0.247 700 D C -0.292 175.998 176.300 -0.017 0.000 1.010 700 D CA -0.394 53.580 54.000 -0.042 0.000 0.880 700 D CB 1.340 42.122 40.800 -0.030 0.000 1.209 700 D HN -0.283 nan 8.370 nan 0.000 0.451 701 T N 1.720 116.266 114.554 -0.013 0.000 2.884 701 T HA 0.266 4.619 4.350 0.005 0.000 0.298 701 T C 0.477 175.180 174.700 0.004 0.000 0.998 701 T CA -0.346 61.753 62.100 -0.001 0.000 1.124 701 T CB 0.437 69.304 68.868 -0.001 0.000 0.931 701 T HN 0.244 nan 8.240 nan 0.000 0.531 702 M N 3.347 122.953 119.600 0.011 0.000 2.209 702 M HA 0.403 4.886 4.480 0.005 0.000 0.355 702 M C 0.169 176.478 176.300 0.015 0.000 1.171 702 M CA -0.370 54.938 55.300 0.014 0.000 1.069 702 M CB 1.221 33.832 32.600 0.019 0.000 1.622 702 M HN 0.550 nan 8.290 nan 0.000 0.459 703 E N 1.480 121.689 120.200 0.015 0.000 2.277 703 E HA 0.335 4.688 4.350 0.005 0.000 0.266 703 E C -0.873 175.741 176.600 0.023 0.000 0.901 703 E CA -0.759 55.651 56.400 0.017 0.000 0.782 703 E CB 1.795 31.502 29.700 0.012 0.000 1.228 703 E HN 0.581 nan 8.360 nan 0.000 0.424 704 Q N 0.822 120.637 119.800 0.026 0.000 2.478 704 Q HA -0.178 4.165 4.340 0.005 0.000 0.286 704 Q C -0.541 175.487 176.000 0.047 0.000 1.299 704 Q CA 0.459 56.284 55.803 0.036 0.000 0.826 704 Q CB -1.066 27.691 28.738 0.032 0.000 1.199 704 Q HN 0.450 nan 8.270 nan 0.000 0.451 705 M N 0.228 119.851 119.600 0.040 0.000 2.342 705 M HA 0.383 4.866 4.480 0.005 0.000 0.332 705 M C 0.540 176.858 176.300 0.030 0.000 1.166 705 M CA 0.135 55.456 55.300 0.034 0.000 1.086 705 M CB 1.258 33.870 32.600 0.021 0.000 1.541 705 M HN -0.054 nan 8.290 nan 0.000 0.462 706 T N 3.024 117.585 114.554 0.012 0.000 2.809 706 T HA 0.517 4.870 4.350 0.005 0.000 0.284 706 T C -0.736 173.910 174.700 -0.089 0.000 0.992 706 T CA -0.561 61.505 62.100 -0.056 0.000 0.957 706 T CB 1.346 70.195 68.868 -0.033 0.000 0.942 706 T HN 0.483 nan 8.240 nan 0.000 0.439 707 L N 3.671 124.814 121.223 -0.133 0.000 2.290 707 L HA 0.535 4.878 4.340 0.005 0.000 0.284 707 L C 0.071 176.825 176.870 -0.194 0.000 1.078 707 L CA -0.017 54.742 54.840 -0.135 0.000 0.815 707 L CB 0.594 42.573 42.059 -0.134 0.000 1.162 707 L HN 0.655 nan 8.230 nan 0.000 0.435 708 E N 5.621 125.733 120.200 -0.146 0.000 2.210 708 E HA 0.572 4.925 4.350 0.005 0.000 0.266 708 E C -1.501 175.032 176.600 -0.112 0.000 0.883 708 E CA -0.639 55.674 56.400 -0.145 0.000 0.761 708 E CB 1.258 30.899 29.700 -0.097 0.000 1.156 708 E HN 0.727 nan 8.360 nan 0.000 0.412 709 M N 3.579 123.104 119.600 -0.126 0.000 2.518 709 M HA 0.460 4.943 4.480 0.005 0.000 0.300 709 M C -1.118 175.178 176.300 -0.007 0.000 1.175 709 M CA -0.798 54.465 55.300 -0.062 0.000 0.890 709 M CB 2.442 34.987 32.600 -0.091 0.000 1.710 709 M HN 0.371 nan 8.290 nan 0.000 0.453 710 K N 0.268 120.692 120.400 0.041 0.000 2.527 710 K HA 0.734 5.057 4.320 0.005 0.000 0.260 710 K C -1.732 174.895 176.600 0.046 0.000 0.937 710 K CA -1.015 55.305 56.287 0.055 0.000 0.826 710 K CB 1.858 34.367 32.500 0.015 0.000 1.359 710 K HN 0.423 nan 8.250 nan 0.000 0.434 711 V N 2.289 122.236 119.914 0.056 0.000 2.432 711 V HA 0.348 4.471 4.120 0.005 0.000 0.275 711 V C -0.565 175.412 176.094 -0.194 0.000 1.043 711 V CA -0.599 61.682 62.300 -0.031 0.000 0.925 711 V CB 1.186 33.028 31.823 0.032 0.000 0.985 711 V HN 0.565 nan 8.190 nan 0.000 0.466 712 V N 4.501 124.130 119.914 -0.475 0.000 2.531 712 V HA 0.366 4.489 4.120 0.005 0.000 0.301 712 V C -0.328 175.389 176.094 -0.629 0.000 1.034 712 V CA -0.968 61.006 62.300 -0.543 0.000 0.865 712 V CB 2.097 33.557 31.823 -0.605 0.000 0.995 712 V HN 1.042 nan 8.190 nan 0.000 0.424 713 D N 3.041 123.262 120.400 -0.298 0.000 2.371 713 D HA 0.098 4.741 4.640 0.005 0.000 0.242 713 D C 0.730 177.103 176.300 0.121 0.000 1.218 713 D CA -0.291 53.594 54.000 -0.190 0.000 0.945 713 D CB 0.478 41.181 40.800 -0.162 0.000 1.137 713 D HN 0.240 nan 8.370 nan 0.000 0.464 714 F N -0.578 119.425 119.950 0.089 0.000 2.546 714 F HA -0.004 4.526 4.527 0.005 0.000 0.298 714 F C 1.494 177.359 175.800 0.109 0.000 1.120 714 F CA 0.359 58.471 58.000 0.186 0.000 1.456 714 F CB -0.658 38.444 39.000 0.169 0.000 1.088 714 F HN 0.329 nan 8.300 nan 0.000 0.572 715 D N -0.923 119.607 120.400 0.215 0.000 2.350 715 D HA 0.181 4.824 4.640 0.005 0.000 0.213 715 D C 2.182 178.538 176.300 0.094 0.000 1.031 715 D CA 1.029 55.103 54.000 0.122 0.000 0.861 715 D CB 0.372 41.216 40.800 0.074 0.000 0.926 715 D HN 0.355 nan 8.370 nan 0.000 0.520 716 G N 1.319 110.182 108.800 0.105 0.000 2.184 716 G HA2 -0.237 3.726 3.960 0.005 0.000 0.206 716 G HA3 -0.237 3.726 3.960 0.005 0.000 0.206 716 G C 0.382 175.297 174.900 0.026 0.000 0.995 716 G CA -0.258 44.889 45.100 0.080 0.000 0.651 716 G HN 0.288 nan 8.290 nan 0.000 0.511 717 K N 1.739 122.138 120.400 -0.002 0.000 2.248 717 K HA 0.485 4.808 4.320 0.005 0.000 0.281 717 K C 0.137 176.703 176.600 -0.056 0.000 1.054 717 K CA -0.220 56.056 56.287 -0.019 0.000 0.903 717 K CB 0.373 32.864 32.500 -0.016 0.000 1.077 717 K HN 0.054 nan 8.250 nan 0.000 0.474 718 T N 4.894 119.422 114.554 -0.044 0.000 2.928 718 T HA 0.102 4.455 4.350 0.005 0.000 0.305 718 T C 0.108 174.779 174.700 -0.048 0.000 1.035 718 T CA 0.084 62.152 62.100 -0.053 0.000 1.145 718 T CB 0.152 69.005 68.868 -0.026 0.000 0.963 718 T HN 0.404 nan 8.240 nan 0.000 0.545 719 L N 3.487 124.677 121.223 -0.055 0.000 2.305 719 L HA 0.596 4.939 4.340 0.005 0.000 0.284 719 L C 1.134 178.011 176.870 0.013 0.000 1.013 719 L CA -0.667 54.149 54.840 -0.039 0.000 0.819 719 L CB 0.897 42.909 42.059 -0.079 0.000 1.227 719 L HN 0.975 nan 8.230 nan 0.000 0.417 720 G N 2.005 110.818 108.800 0.022 0.000 2.562 720 G HA2 -0.133 3.830 3.960 0.005 0.000 0.250 720 G HA3 -0.133 3.830 3.960 0.005 0.000 0.250 720 G C -0.377 174.544 174.900 0.036 0.000 1.269 720 G CA 0.087 45.217 45.100 0.050 0.000 0.919 720 G HN 0.854 nan 8.290 nan 0.000 0.574 721 K N -0.094 120.329 120.400 0.039 0.000 2.258 721 K HA 0.829 5.152 4.320 0.005 0.000 0.236 721 K C 0.470 177.081 176.600 0.018 0.000 1.008 721 K CA 0.134 56.432 56.287 0.018 0.000 0.869 721 K CB 0.711 nan 32.500 nan 0.000 1.171 721 K HN 0.890 nan 8.250 nan 0.000 0.447 722 K N 0.439 120.840 120.400 0.002 0.000 2.436 722 K HA 0.250 4.573 4.320 0.005 0.000 0.275 722 K C -0.345 176.229 176.600 -0.043 0.000 0.999 722 K CA 0.264 56.542 56.287 -0.014 0.000 0.980 722 K CB 0.142 32.631 32.500 -0.018 0.000 0.919 722 K HN 0.515 nan 8.250 nan 0.000 0.484 723 I N 3.000 123.520 120.570 -0.084 0.000 2.378 723 I HA 0.137 4.310 4.170 0.005 0.000 0.291 723 I C -0.130 175.869 176.117 -0.197 0.000 0.992 723 I CA -0.535 60.673 61.300 -0.154 0.000 1.154 723 I CB 1.486 39.335 38.000 -0.252 0.000 1.315 723 I HN 0.361 nan 8.210 nan 0.000 0.448 724 Q N 5.908 125.597 119.800 -0.186 0.000 2.330 724 Q HA 0.522 4.865 4.340 0.005 0.000 0.269 724 Q C -1.260 174.545 176.000 -0.325 0.000 1.022 724 Q CA -0.797 54.831 55.803 -0.292 0.000 0.796 724 Q CB 3.310 31.882 28.738 -0.276 0.000 1.271 724 Q HN 0.412 nan 8.270 nan 0.000 0.450 725 V N 3.552 123.241 119.914 -0.375 0.000 2.326 725 V HA 0.284 4.407 4.120 0.005 0.000 0.281 725 V C -0.057 175.864 176.094 -0.288 0.000 1.015 725 V CA -0.749 61.409 62.300 -0.236 0.000 0.823 725 V CB 0.593 32.346 31.823 -0.117 0.000 1.009 725 V HN 0.698 nan 8.190 nan 0.000 0.436 726 H N 2.160 121.221 119.070 -0.016 0.000 2.500 726 H HA 0.408 4.967 4.556 0.004 0.000 0.351 726 H C 0.910 176.235 175.328 -0.006 0.000 1.281 726 H CA 0.118 56.159 56.048 -0.012 0.000 1.368 726 H CB 1.494 31.249 29.762 -0.012 0.000 1.616 726 H HN 0.709 nan 8.280 nan 0.000 0.591 727 S N -0.242 115.543 115.700 0.143 0.000 3.641 727 S HA -0.164 4.309 4.470 0.005 0.000 0.346 727 S C 0.193 174.818 174.600 0.042 0.000 1.074 727 S CA 0.071 58.315 58.200 0.073 0.000 1.026 727 S CB -1.858 61.377 63.200 0.059 0.000 0.908 727 S HN 0.356 nan 8.310 nan 0.000 0.479 728 L N 1.074 122.317 121.223 0.033 0.000 2.326 728 L HA 0.486 4.829 4.340 0.005 0.000 0.278 728 L C 0.642 177.522 176.870 0.017 0.000 1.092 728 L CA -0.104 54.745 54.840 0.016 0.000 0.810 728 L CB 0.976 43.036 42.059 0.003 0.000 1.153 728 L HN 0.293 nan 8.230 nan 0.000 0.439 729 E N 1.889 122.096 120.200 0.013 0.000 2.191 729 E HA 0.449 4.802 4.350 0.005 0.000 0.274 729 E C -1.430 175.178 176.600 0.013 0.000 0.948 729 E CA -0.690 55.718 56.400 0.013 0.000 0.802 729 E CB 1.937 31.644 29.700 0.012 0.000 1.137 729 E HN 0.308 nan 8.360 nan 0.000 0.397 730 V N 6.158 126.081 119.914 0.016 0.000 2.276 730 V HA 0.291 4.413 4.120 0.005 0.000 0.268 730 V C -2.327 173.780 176.094 0.021 0.000 1.032 730 V CA -1.755 60.557 62.300 0.021 0.000 0.810 730 V CB 0.605 32.442 31.823 0.023 0.000 1.060 730 V HN 0.670 nan 8.190 nan 0.000 0.446 731 P HA 0.196 nan 4.420 nan 0.000 0.269 731 P C 0.146 177.460 177.300 0.024 0.000 1.215 731 P CA 0.058 63.169 63.100 0.019 0.000 0.780 731 P CB 0.646 32.358 31.700 0.020 0.000 0.898 732 A N 2.798 125.626 122.820 0.014 0.000 2.567 732 A HA 0.010 4.333 4.320 0.005 0.000 0.240 732 A C 0.702 178.313 177.584 0.046 0.000 1.053 732 A CA 0.216 52.263 52.037 0.017 0.000 0.755 732 A CB -1.090 17.895 19.000 -0.025 0.000 0.978 732 A HN 0.727 nan 8.150 nan 0.000 0.507 733 N N -0.088 118.664 118.700 0.087 0.000 2.738 733 N HA -0.151 4.592 4.740 0.005 0.000 0.249 733 N C 0.024 175.586 175.510 0.086 0.000 1.047 733 N CA 1.661 54.787 53.050 0.127 0.000 0.707 733 N CB -1.496 37.090 38.487 0.165 0.000 0.937 733 N HN 1.312 nan 8.380 nan 0.000 0.545 734 T N -4.307 110.282 114.554 0.058 0.000 2.864 734 T HA 0.663 5.016 4.350 0.005 0.000 0.299 734 T C -0.503 174.221 174.700 0.039 0.000 1.166 734 T CA -0.692 61.438 62.100 0.050 0.000 1.007 734 T CB 2.652 71.551 68.868 0.051 0.000 1.219 734 T HN 0.059 nan 8.240 nan 0.000 0.506 735 S N 0.345 116.080 115.700 0.058 0.000 2.561 735 S HA 0.684 5.157 4.470 0.005 0.000 0.303 735 S C -1.315 173.391 174.600 0.177 0.000 1.110 735 S CA -0.730 57.528 58.200 0.097 0.000 1.034 735 S CB 0.302 63.529 63.200 0.046 0.000 1.010 735 S HN 0.757 nan 8.310 nan 0.000 0.482 736 K N 2.551 123.070 120.400 0.197 0.000 2.498 736 K HA 0.394 4.717 4.320 0.005 0.000 0.254 736 K C -1.308 175.212 176.600 -0.133 0.000 0.933 736 K CA -0.731 55.610 56.287 0.090 0.000 0.806 736 K CB 1.820 34.337 32.500 0.028 0.000 1.301 736 K HN 0.646 nan 8.250 nan 0.000 0.432 737 C N 2.900 121.920 119.300 -0.465 0.000 2.514 737 C HA 0.296 4.759 4.460 0.005 0.000 0.392 737 C C 1.460 176.252 174.990 -0.331 0.000 1.294 737 C CA -0.228 58.291 59.018 -0.831 0.000 1.957 737 C CB -0.748 26.459 27.740 -0.887 0.000 2.541 737 C HN 0.697 nan 8.230 nan 0.000 0.569 738 V N 3.247 123.028 119.914 -0.220 0.000 3.432 738 V HA 0.405 4.528 4.120 0.005 0.000 0.298 738 V C -0.351 175.763 176.094 0.033 0.000 1.464 738 V CA -0.068 62.189 62.300 -0.071 0.000 1.046 738 V CB -0.779 31.027 31.823 -0.030 0.000 0.887 738 V HN 0.822 nan 8.190 nan 0.000 0.441 739 Y N 0.624 120.831 120.300 -0.155 0.000 2.357 739 Y HA 0.688 5.241 4.550 0.004 0.000 0.319 739 Y C -0.799 175.045 175.900 -0.093 0.000 1.225 739 Y CA -1.066 56.966 58.100 -0.112 0.000 1.095 739 Y CB 1.462 39.868 38.460 -0.091 0.000 1.302 739 Y HN 0.158 nan 8.280 nan 0.000 0.429 740 R N 3.807 123.921 120.500 -0.643 0.000 2.621 740 R HA 0.963 5.306 4.340 0.005 0.000 0.292 740 R C -1.539 174.378 176.300 -0.639 0.000 0.969 740 R CA -1.093 54.743 56.100 -0.440 0.000 0.887 740 R CB 2.161 32.319 30.300 -0.237 0.000 1.180 740 R HN 0.684 nan 8.270 nan 0.000 0.450 741 A N 1.321 123.958 122.820 -0.305 0.000 2.488 741 A HA 0.400 4.723 4.320 0.005 0.000 0.295 741 A C -0.965 176.669 177.584 0.084 0.000 1.045 741 A CA -0.769 51.159 52.037 -0.182 0.000 0.703 741 A CB 1.553 20.404 19.000 -0.248 0.000 1.271 741 A HN 0.350 nan 8.150 nan 0.000 0.400 742 K N 1.472 121.914 120.400 0.071 0.000 2.382 742 K HA 0.265 4.587 4.320 0.005 0.000 0.275 742 K C 1.356 178.112 176.600 0.260 0.000 1.009 742 K CA -0.163 56.202 56.287 0.129 0.000 0.970 742 K CB 0.791 33.332 32.500 0.069 0.000 0.934 742 K HN 0.613 nan 8.250 nan 0.000 0.479 743 L N 0.490 121.837 121.223 0.205 0.000 2.109 743 L HA -0.034 4.309 4.340 0.005 0.000 0.207 743 L C 1.067 177.994 176.870 0.094 0.000 1.086 743 L CA 0.908 55.828 54.840 0.132 0.000 0.760 743 L CB -0.259 41.782 42.059 -0.030 0.000 0.910 743 L HN 0.735 nan 8.230 nan 0.000 0.437 744 D N -0.257 120.189 120.400 0.075 0.000 2.383 744 D HA 0.315 4.958 4.640 0.005 0.000 0.252 744 D C 1.020 177.365 176.300 0.076 0.000 1.166 744 D CA 1.167 55.194 54.000 0.046 0.000 0.879 744 D CB 0.823 41.640 40.800 0.029 0.000 1.164 744 D HN 0.313 nan 8.370 nan 0.000 0.462 745 G N 3.267 112.105 108.800 0.064 0.000 2.213 745 G HA2 -0.314 3.649 3.960 0.005 0.000 0.236 745 G HA3 -0.314 3.649 3.960 0.005 0.000 0.236 745 G C 0.644 175.638 174.900 0.157 0.000 0.991 745 G CA 0.401 45.549 45.100 0.080 0.000 0.629 745 G HN 0.569 nan 8.290 nan 0.000 0.517 746 W N 1.026 122.292 121.300 -0.057 0.000 2.780 746 W HA 0.651 5.314 4.660 0.005 0.000 0.272 746 W C 0.436 176.890 176.519 -0.108 0.000 1.116 746 W CA 0.843 58.148 57.345 -0.067 0.000 1.600 746 W CB 0.030 29.460 29.460 -0.050 0.000 1.086 746 W HN 0.161 nan 8.180 nan 0.000 0.584 747 L N 1.725 122.795 121.223 -0.255 0.000 2.381 747 L HA 0.405 4.748 4.340 0.005 0.000 0.268 747 L C 0.497 177.208 176.870 -0.265 0.000 0.997 747 L CA -0.890 53.690 54.840 -0.435 0.000 0.818 747 L CB 1.915 43.446 42.059 -0.880 0.000 1.310 747 L HN -0.180 nan 8.230 nan 0.000 0.416 748 T N -2.157 112.270 114.554 -0.212 0.000 2.899 748 T HA 0.296 4.649 4.350 0.005 0.000 0.284 748 T C -2.031 172.574 174.700 -0.157 0.000 1.004 748 T CA -1.750 60.264 62.100 -0.144 0.000 1.043 748 T CB 1.316 70.121 68.868 -0.105 0.000 1.013 748 T HN 0.323 nan 8.240 nan 0.000 0.518 749 P HA -0.084 nan 4.420 nan 0.000 0.217 749 P C 1.648 178.895 177.300 -0.088 0.000 1.148 749 P CA 0.756 63.803 63.100 -0.087 0.000 0.828 749 P CB 0.001 31.669 31.700 -0.054 0.000 0.783 750 E N -0.917 119.229 120.200 -0.090 0.000 2.107 750 E HA -0.150 4.203 4.350 0.005 0.000 0.191 750 E C 1.724 178.246 176.600 -0.130 0.000 0.982 750 E CA 1.174 57.521 56.400 -0.089 0.000 0.809 750 E CB -1.231 28.424 29.700 -0.075 0.000 0.756 750 E HN 0.423 nan 8.360 nan 0.000 0.459 751 D N -0.293 120.005 120.400 -0.170 0.000 2.178 751 D HA -0.078 4.565 4.640 0.005 0.000 0.202 751 D C 2.012 178.171 176.300 -0.235 0.000 0.974 751 D CA 0.998 54.861 54.000 -0.228 0.000 0.841 751 D CB -0.409 40.220 40.800 -0.286 0.000 0.953 751 D HN 0.346 nan 8.370 nan 0.000 0.478 752 C N 0.917 120.087 119.300 -0.217 0.000 2.432 752 C HA -0.064 4.399 4.460 0.005 0.000 0.280 752 C C 2.227 177.262 174.990 0.075 0.000 1.353 752 C CA 0.378 59.339 59.018 -0.095 0.000 1.766 752 C CB -0.803 26.871 27.740 -0.111 0.000 1.924 752 C HN 0.407 nan 8.230 nan 0.000 0.509 753 R N 0.338 120.838 120.500 0.001 0.000 2.317 753 R HA 0.184 4.527 4.340 0.005 0.000 0.208 753 R C 1.172 177.445 176.300 -0.046 0.000 0.914 753 R CA 0.344 56.480 56.100 0.060 0.000 1.060 753 R CB -0.237 30.089 30.300 0.044 0.000 1.015 753 R HN 0.459 nan 8.270 nan 0.000 0.498 754 R N 0.416 120.721 120.500 -0.324 0.000 2.549 754 R HA 0.174 4.517 4.340 0.005 0.000 0.361 754 R C -0.462 175.045 176.300 -1.322 0.000 0.969 754 R CA 0.162 55.716 56.100 -0.910 0.000 1.158 754 R CB 1.456 31.478 30.300 -0.465 0.000 1.456 754 R HN 0.269 nan 8.270 nan 0.000 0.540 755 S N -0.217 115.117 115.700 -0.611 0.000 2.705 755 S HA 0.757 5.230 4.470 0.005 0.000 0.280 755 S C -0.865 173.909 174.600 0.289 0.000 1.174 755 S CA -0.970 57.101 58.200 -0.214 0.000 0.823 755 S CB 1.520 64.583 63.200 -0.228 0.000 1.162 755 S HN 0.162 nan 8.310 nan 0.000 0.487 756 F N -1.171 118.826 119.950 0.079 0.000 2.643 756 F HA 0.868 5.398 4.527 0.005 0.000 0.314 756 F C -1.535 174.164 175.800 -0.168 0.000 1.096 756 F CA -1.429 56.374 58.000 -0.328 0.000 0.953 756 F CB 0.920 39.396 39.000 -0.874 0.000 1.345 756 F HN 0.631 nan 8.300 nan 0.000 0.468 757 L N 2.523 123.680 121.223 -0.109 0.000 2.295 757 L HA 0.547 4.890 4.340 0.005 0.000 0.285 757 L C -0.597 176.353 176.870 0.134 0.000 1.035 757 L CA -0.444 54.428 54.840 0.054 0.000 0.806 757 L CB 1.373 43.499 42.059 0.112 0.000 1.214 757 L HN 0.787 nan 8.230 nan 0.000 0.426 758 K N 4.245 124.728 120.400 0.138 0.000 2.185 758 K HA 0.731 5.054 4.320 0.005 0.000 0.269 758 K C -1.693 174.948 176.600 0.069 0.000 0.987 758 K CA -0.487 55.883 56.287 0.138 0.000 0.865 758 K CB 0.851 33.448 32.500 0.161 0.000 1.090 758 K HN 0.555 nan 8.250 nan 0.000 0.450 759 L N 5.989 127.240 121.223 0.047 0.000 2.410 759 L HA 0.582 4.925 4.340 0.005 0.000 0.270 759 L C -0.609 176.265 176.870 0.007 0.000 0.983 759 L CA -0.641 54.206 54.840 0.012 0.000 0.822 759 L CB 1.631 43.694 42.059 0.008 0.000 1.285 759 L HN 0.619 nan 8.230 nan 0.000 0.409 760 I N 0.292 120.856 120.570 -0.011 0.000 2.828 760 I HA 0.800 4.973 4.170 0.005 0.000 0.302 760 I C -1.631 174.474 176.117 -0.021 0.000 1.101 760 I CA -1.078 60.218 61.300 -0.008 0.000 1.031 760 I CB 2.375 40.373 38.000 -0.003 0.000 1.231 760 I HN 0.460 nan 8.210 nan 0.000 0.427 761 L N 5.401 126.620 121.223 -0.007 0.000 2.341 761 L HA 0.670 5.013 4.340 0.005 0.000 0.278 761 L C -0.899 175.977 176.870 0.009 0.000 1.005 761 L CA -0.029 54.807 54.840 -0.006 0.000 0.818 761 L CB 1.397 43.458 42.059 0.003 0.000 1.259 761 L HN 0.855 nan 8.230 nan 0.000 0.418 762 K N 1.806 122.212 120.400 0.010 0.000 2.477 762 K HA 0.632 4.955 4.320 0.005 0.000 0.255 762 K C -1.297 175.331 176.600 0.048 0.000 0.952 762 K CA -0.887 55.421 56.287 0.034 0.000 0.826 762 K CB 1.902 34.417 32.500 0.025 0.000 1.331 762 K HN 0.536 nan 8.250 nan 0.000 0.437 763 D N 0.897 121.342 120.400 0.075 0.000 2.414 763 D HA -0.005 4.638 4.640 0.005 0.000 0.259 763 D C 0.903 177.254 176.300 0.085 0.000 1.269 763 D CA -0.449 53.597 54.000 0.077 0.000 1.028 763 D CB 0.584 41.433 40.800 0.081 0.000 1.093 763 D HN 0.538 nan 8.370 nan 0.000 0.545 764 K N -0.259 120.187 120.400 0.075 0.000 2.074 764 K HA -0.166 4.157 4.320 0.005 0.000 0.209 764 K C 1.825 178.468 176.600 0.072 0.000 1.048 764 K CA 2.067 58.394 56.287 0.067 0.000 0.926 764 K CB -0.780 31.749 32.500 0.049 0.000 0.713 764 K HN 0.466 nan 8.250 nan 0.000 0.444 765 S N -1.702 114.065 115.700 0.111 0.000 2.561 765 S HA 0.153 4.625 4.470 0.005 0.000 0.225 765 S C 1.374 175.979 174.600 0.009 0.000 0.977 765 S CA 0.472 58.739 58.200 0.113 0.000 0.926 765 S CB -0.179 63.167 63.200 0.244 0.000 0.769 765 S HN 0.549 nan 8.310 nan 0.000 0.533 766 G N 0.725 109.533 108.800 0.013 0.000 2.157 766 G HA2 -0.211 3.752 3.960 0.005 0.000 0.239 766 G HA3 -0.211 3.752 3.960 0.005 0.000 0.239 766 G C -0.298 174.502 174.900 -0.166 0.000 0.982 766 G CA -0.141 44.913 45.100 -0.077 0.000 0.650 766 G HN 0.695 nan 8.290 nan 0.000 0.527 767 H N 0.655 119.733 119.070 0.013 0.000 2.767 767 H HA 0.468 5.027 4.556 0.005 0.000 0.316 767 H C 0.668 176.002 175.328 0.011 0.000 1.059 767 H CA 0.257 56.312 56.048 0.011 0.000 1.461 767 H CB 0.838 30.607 29.762 0.011 0.000 1.475 767 H HN 0.423 nan 8.280 nan 0.000 0.531 768 Q N 2.999 122.855 119.800 0.093 0.000 2.297 768 Q HA 0.115 4.458 4.340 0.005 0.000 0.267 768 Q C 0.695 176.734 176.000 0.064 0.000 1.006 768 Q CA -0.318 55.519 55.803 0.056 0.000 0.896 768 Q CB 0.711 29.469 28.738 0.033 0.000 1.186 768 Q HN 0.751 nan 8.270 nan 0.000 0.392 769 V N 0.637 120.581 119.914 0.050 0.000 3.621 769 V HA 0.664 4.787 4.120 0.005 0.000 0.263 769 V C 0.099 176.213 176.094 0.035 0.000 1.272 769 V CA 0.613 62.939 62.300 0.043 0.000 1.080 769 V CB 0.301 32.148 31.823 0.041 0.000 0.816 769 V HN 0.646 nan 8.190 nan 0.000 0.451 770 A N 0.790 123.627 122.820 0.029 0.000 2.608 770 A HA 0.781 5.104 4.320 0.005 0.000 0.292 770 A C -1.033 176.563 177.584 0.019 0.000 1.066 770 A CA -0.137 51.915 52.037 0.025 0.000 0.676 770 A CB 1.453 20.468 19.000 0.025 0.000 1.277 770 A HN 0.703 nan 8.150 nan 0.000 0.413 771 E N 0.026 120.237 120.200 0.018 0.000 2.390 771 E HA 0.778 5.131 4.350 0.005 0.000 0.277 771 E C -1.047 175.565 176.600 0.020 0.000 0.939 771 E CA -0.679 55.730 56.400 0.016 0.000 0.769 771 E CB 2.025 31.734 29.700 0.014 0.000 1.251 771 E HN 0.728 nan 8.360 nan 0.000 0.450 772 S N 0.765 116.479 115.700 0.023 0.000 2.588 772 S HA 0.610 5.083 4.470 0.005 0.000 0.275 772 S C -1.485 173.135 174.600 0.033 0.000 1.130 772 S CA -0.577 57.641 58.200 0.030 0.000 0.855 772 S CB 1.808 65.028 63.200 0.034 0.000 1.116 772 S HN 0.442 nan 8.310 nan 0.000 0.472 773 V N 2.893 122.823 119.914 0.027 0.000 2.628 773 V HA 0.566 4.689 4.120 0.005 0.000 0.306 773 V C -0.901 175.198 176.094 0.009 0.000 1.045 773 V CA -0.700 61.592 62.300 -0.012 0.000 0.905 773 V CB 1.604 33.359 31.823 -0.112 0.000 0.997 773 V HN 0.975 nan 8.190 nan 0.000 0.436 774 H N 2.827 121.766 119.070 -0.218 0.000 2.609 774 H HA 0.667 5.227 4.556 0.005 0.000 0.344 774 H C -1.571 173.408 175.328 -0.581 0.000 1.040 774 H CA -0.621 55.262 56.048 -0.274 0.000 1.216 774 H CB 1.254 30.872 29.762 -0.239 0.000 1.529 774 H HN 0.444 nan 8.280 nan 0.000 0.519 775 F N 4.448 123.905 119.950 -0.823 0.000 2.425 775 F HA 0.236 4.766 4.527 0.005 0.000 0.331 775 F C 0.229 175.454 175.800 -0.957 0.000 1.085 775 F CA -0.571 57.014 58.000 -0.692 0.000 1.028 775 F CB 0.923 39.749 39.000 -0.289 0.000 1.177 775 F HN 0.574 nan 8.300 nan 0.000 0.487 776 F N 0.609 120.500 119.950 -0.097 0.000 2.754 776 F HA 0.264 4.794 4.527 0.005 0.000 0.297 776 F C 0.900 176.690 175.800 -0.016 0.000 1.122 776 F CA 0.135 58.092 58.000 -0.073 0.000 1.400 776 F CB -0.045 38.921 39.000 -0.056 0.000 1.117 776 F HN 0.154 nan 8.300 nan 0.000 0.587 777 R N 0.151 120.744 120.500 0.155 0.000 2.867 777 R HA 0.365 4.708 4.340 0.005 0.000 0.268 777 R C -0.331 175.957 176.300 -0.020 0.000 1.014 777 R CA -1.091 55.052 56.100 0.071 0.000 0.946 777 R CB 1.177 31.529 30.300 0.086 0.000 1.208 777 R HN -0.014 nan 8.270 nan 0.000 0.477 778 K N 0.325 120.677 120.400 -0.081 0.000 2.469 778 K HA 0.027 4.350 4.320 0.005 0.000 0.274 778 K C 1.004 177.466 176.600 -0.230 0.000 0.983 778 K CA 0.237 56.408 56.287 -0.192 0.000 0.974 778 K CB 0.402 32.784 32.500 -0.196 0.000 0.913 778 K HN 0.421 nan 8.250 nan 0.000 0.493 779 T N 2.537 116.851 114.554 -0.400 0.000 2.665 779 T HA -0.225 4.128 4.350 0.005 0.000 0.268 779 T C 1.619 176.180 174.700 -0.231 0.000 1.035 779 T CA 1.956 63.831 62.100 -0.375 0.000 1.151 779 T CB -0.155 68.385 68.868 -0.547 0.000 0.862 779 T HN 0.669 nan 8.240 nan 0.000 0.438 780 K N 0.963 121.195 120.400 -0.281 0.000 2.281 780 K HA -0.133 4.190 4.320 0.005 0.000 0.203 780 K C 1.141 177.668 176.600 -0.121 0.000 1.046 780 K CA 1.696 57.872 56.287 -0.186 0.000 0.938 780 K CB -0.060 32.332 32.500 -0.180 0.000 0.737 780 K HN 0.220 nan 8.250 nan 0.000 0.458 781 D N 0.826 121.172 120.400 -0.091 0.000 2.350 781 D HA 0.124 4.767 4.640 0.005 0.000 0.213 781 D C 0.362 176.685 176.300 0.038 0.000 1.031 781 D CA 0.149 54.130 54.000 -0.031 0.000 0.861 781 D CB 0.173 40.954 40.800 -0.031 0.000 0.926 781 D HN 0.190 nan 8.370 nan 0.000 0.520 782 L N 1.401 122.664 121.223 0.068 0.000 2.397 782 L HA 0.126 4.469 4.340 0.005 0.000 0.271 782 L C 0.708 177.728 176.870 0.249 0.000 1.148 782 L CA -0.300 54.667 54.840 0.212 0.000 0.825 782 L CB 0.691 42.880 42.059 0.217 0.000 1.117 782 L HN -0.318 nan 8.230 nan 0.000 0.456 783 Q N 4.529 124.534 119.800 0.342 0.000 3.150 783 Q HA 0.327 4.670 4.340 0.005 0.000 0.297 783 Q C -0.528 175.734 176.000 0.437 0.000 1.382 783 Q CA -0.075 55.901 55.803 0.288 0.000 1.059 783 Q CB 0.014 28.849 28.738 0.162 0.000 1.559 783 Q HN 0.512 nan 8.270 nan 0.000 0.548 784 L N 3.659 125.086 121.223 0.339 0.000 2.410 784 L HA 0.178 4.520 4.340 0.005 0.000 0.273 784 L C -1.794 175.191 176.870 0.190 0.000 1.144 784 L CA -1.497 53.471 54.840 0.213 0.000 0.863 784 L CB -0.001 42.104 42.059 0.077 0.000 1.140 784 L HN 0.091 nan 8.230 nan 0.000 0.463 785 P HA 0.232 nan 4.420 nan 0.000 0.275 785 P C -2.589 174.756 177.300 0.074 0.000 1.227 785 P CA -1.851 61.326 63.100 0.128 0.000 0.781 785 P CB 0.245 32.028 31.700 0.140 0.000 0.906 786 P HA 0.168 nan 4.420 nan 0.000 0.265 786 P C -0.145 177.184 177.300 0.049 0.000 1.193 786 P CA 0.755 63.881 63.100 0.043 0.000 0.765 786 P CB 0.368 32.082 31.700 0.024 0.000 0.823 787 T N 1.437 116.036 114.554 0.075 0.000 2.840 787 T HA 0.415 4.768 4.350 0.005 0.000 0.317 787 T C -1.283 173.462 174.700 0.075 0.000 1.401 787 T CA -0.435 61.682 62.100 0.029 0.000 1.028 787 T CB 0.765 69.589 68.868 -0.074 0.000 1.317 787 T HN 0.052 nan 8.240 nan 0.000 0.495 788 S N 1.723 117.440 115.700 0.029 0.000 2.437 788 S HA 0.613 5.086 4.470 0.005 0.000 0.305 788 S C -0.460 174.147 174.600 0.011 0.000 1.109 788 S CA -0.517 57.714 58.200 0.051 0.000 1.099 788 S CB 0.711 63.940 63.200 0.047 0.000 1.004 788 S HN 0.562 nan 8.310 nan 0.000 0.475 789 V N 5.359 125.290 119.914 0.027 0.000 2.368 789 V HA 0.351 4.474 4.120 0.005 0.000 0.266 789 V C 0.532 176.701 176.094 0.125 0.000 1.045 789 V CA -0.534 61.780 62.300 0.024 0.000 0.899 789 V CB 0.612 32.424 31.823 -0.019 0.000 1.006 789 V HN 0.924 nan 8.190 nan 0.000 0.470 790 S N 5.572 121.363 115.700 0.152 0.000 2.654 790 S HA 0.861 5.334 4.470 0.005 0.000 0.283 790 S C -0.813 173.932 174.600 0.242 0.000 1.180 790 S CA -0.600 57.690 58.200 0.150 0.000 1.021 790 S CB 1.569 64.836 63.200 0.110 0.000 1.018 790 S HN 0.840 nan 8.310 nan 0.000 0.532 791 Y N -1.409 118.913 120.300 0.036 0.000 2.581 791 Y HA 0.675 5.228 4.550 0.005 0.000 0.337 791 Y C -1.122 174.785 175.900 0.011 0.000 1.108 791 Y CA -1.234 56.884 58.100 0.030 0.000 1.033 791 Y CB 0.885 39.353 38.460 0.013 0.000 1.318 791 Y HN 0.648 nan 8.280 nan 0.000 0.459 792 Q N 3.215 123.083 119.800 0.113 0.000 2.266 792 Q HA 0.607 4.950 4.340 0.005 0.000 0.261 792 Q C -1.249 174.847 176.000 0.160 0.000 0.985 792 Q CA -1.078 54.749 55.803 0.039 0.000 0.873 792 Q CB 2.761 31.509 28.738 0.016 0.000 1.306 792 Q HN 0.839 nan 8.270 nan 0.000 0.447 793 M N 0.832 120.500 119.600 0.112 0.000 2.395 793 M HA 0.412 4.894 4.480 0.005 0.000 0.307 793 M C -1.548 174.782 176.300 0.049 0.000 1.091 793 M CA -0.472 54.902 55.300 0.123 0.000 0.919 793 M CB 1.732 34.437 32.600 0.176 0.000 1.662 793 M HN 0.230 nan 8.290 nan 0.000 0.440 794 K N 3.727 124.146 120.400 0.032 0.000 2.521 794 K HA 0.374 4.697 4.320 0.005 0.000 0.248 794 K C -1.510 175.091 176.600 0.001 0.000 0.978 794 K CA -0.448 55.845 56.287 0.010 0.000 0.947 794 K CB 1.505 34.008 32.500 0.005 0.000 1.165 794 K HN 0.884 nan 8.250 nan 0.000 0.445 795 Q N 2.390 122.189 119.800 -0.002 0.000 2.307 795 Q HA 0.507 4.850 4.340 0.005 0.000 0.262 795 Q C -0.169 175.822 176.000 -0.014 0.000 0.961 795 Q CA -0.347 55.449 55.803 -0.012 0.000 0.882 795 Q CB 1.564 30.296 28.738 -0.010 0.000 1.264 795 Q HN 0.856 nan 8.270 nan 0.000 0.446 796 T N -0.341 114.202 114.554 -0.019 0.000 2.831 796 T HA 0.348 4.701 4.350 0.005 0.000 0.287 796 T C -0.540 174.148 174.700 -0.021 0.000 1.070 796 T CA -0.997 61.093 62.100 -0.017 0.000 1.010 796 T CB 0.986 69.844 68.868 -0.015 0.000 1.264 796 T HN 0.430 nan 8.240 nan 0.000 0.532 797 D N 0.508 120.898 120.400 -0.017 0.000 2.434 797 D HA 0.401 5.044 4.640 0.005 0.000 0.252 797 D C 1.552 177.838 176.300 -0.023 0.000 1.185 797 D CA 1.909 55.898 54.000 -0.018 0.000 0.886 797 D CB 0.493 41.286 40.800 -0.013 0.000 1.148 797 D HN 1.139 nan 8.370 nan 0.000 0.483 798 G N 2.499 111.281 108.800 -0.029 0.000 2.205 798 G HA2 -0.302 3.661 3.960 0.005 0.000 0.261 798 G HA3 -0.302 3.661 3.960 0.005 0.000 0.261 798 G C 0.490 175.360 174.900 -0.051 0.000 0.980 798 G CA 0.666 45.744 45.100 -0.036 0.000 0.632 798 G HN 0.605 nan 8.290 nan 0.000 0.533 799 K N -0.817 119.553 120.400 -0.050 0.000 2.523 799 K HA 0.627 4.950 4.320 0.005 0.000 0.257 799 K C -1.476 175.089 176.600 -0.058 0.000 0.932 799 K CA -0.574 55.678 56.287 -0.059 0.000 0.812 799 K CB 1.697 34.171 32.500 -0.044 0.000 1.326 799 K HN 0.194 nan 8.250 nan 0.000 0.433 800 C N 2.796 122.051 119.300 -0.074 0.000 2.446 800 C HA 0.407 4.870 4.460 0.005 0.000 0.329 800 C C -1.158 173.799 174.990 -0.055 0.000 1.166 800 C CA -0.692 58.288 59.018 -0.063 0.000 1.341 800 C CB 1.207 28.895 27.740 -0.087 0.000 1.970 800 C HN 0.791 nan 8.230 nan 0.000 0.452 801 E N 3.380 123.565 120.200 -0.025 0.000 2.145 801 E HA 0.579 4.931 4.350 0.005 0.000 0.270 801 E C -1.069 175.540 176.600 0.014 0.000 0.906 801 E CA -0.267 56.126 56.400 -0.011 0.000 0.761 801 E CB 1.432 31.128 29.700 -0.005 0.000 1.116 801 E HN 0.539 nan 8.360 nan 0.000 0.408 802 L N 2.011 123.245 121.223 0.019 0.000 2.334 802 L HA 0.519 4.861 4.340 0.005 0.000 0.276 802 L C -0.095 176.819 176.870 0.073 0.000 1.014 802 L CA -0.762 54.114 54.840 0.060 0.000 0.815 802 L CB 1.976 44.036 42.059 0.002 0.000 1.268 802 L HN 0.419 nan 8.230 nan 0.000 0.428 803 T N 3.433 118.056 114.554 0.114 0.000 2.815 803 T HA 0.601 4.954 4.350 0.005 0.000 0.289 803 T C -0.453 174.346 174.700 0.166 0.000 1.000 803 T CA -0.437 61.727 62.100 0.107 0.000 0.958 803 T CB 1.222 70.137 68.868 0.078 0.000 0.944 803 T HN 0.104 nan 8.240 nan 0.000 0.442 804 L N 3.464 124.787 121.223 0.166 0.000 2.331 804 L HA 0.778 5.121 4.340 0.005 0.000 0.275 804 L C -0.649 176.367 176.870 0.244 0.000 1.022 804 L CA -0.716 54.244 54.840 0.200 0.000 0.812 804 L CB 1.119 43.268 42.059 0.150 0.000 1.257 804 L HN 0.632 nan 8.230 nan 0.000 0.435 805 F N 0.917 120.901 119.950 0.057 0.000 2.596 805 F HA 0.683 5.213 4.527 0.005 0.000 0.311 805 F C -0.742 175.067 175.800 0.015 0.000 1.116 805 F CA -0.237 57.782 58.000 0.032 0.000 0.957 805 F CB 2.064 41.079 39.000 0.026 0.000 1.250 805 F HN 0.354 nan 8.300 nan 0.000 0.444 806 S N 2.502 117.703 115.700 -0.832 0.000 2.614 806 S HA 0.335 4.808 4.470 0.005 0.000 0.275 806 S C 0.323 174.400 174.600 -0.873 0.000 1.161 806 S CA 0.010 57.844 58.200 -0.610 0.000 0.969 806 S CB 1.270 64.264 63.200 -0.342 0.000 1.059 806 S HN 0.938 nan 8.310 nan 0.000 0.482 807 S N 4.697 120.059 115.700 -0.563 0.000 2.419 807 S HA 0.096 4.569 4.470 0.005 0.000 0.233 807 S C 0.768 175.275 174.600 -0.156 0.000 1.016 807 S CA 0.645 58.670 58.200 -0.292 0.000 0.974 807 S CB -0.432 62.775 63.200 0.012 0.000 0.786 807 S HN 0.692 nan 8.310 nan 0.000 0.492 808 M N 0.607 120.124 119.600 -0.137 0.000 2.705 808 M HA 0.486 4.969 4.480 0.005 0.000 0.311 808 M C -0.714 175.527 176.300 -0.098 0.000 1.214 808 M CA -1.125 54.148 55.300 -0.046 0.000 0.920 808 M CB 1.600 34.200 32.600 0.000 0.000 1.687 808 M HN 0.130 nan 8.290 nan 0.000 0.481 809 L N 2.199 123.408 121.223 -0.023 0.000 2.640 809 L HA 0.203 4.546 4.340 0.005 0.000 0.280 809 L C -0.484 176.227 176.870 -0.265 0.000 1.229 809 L CA 0.689 55.445 54.840 -0.140 0.000 0.919 809 L CB 0.127 42.064 42.059 -0.203 0.000 1.168 809 L HN 0.738 nan 8.230 nan 0.000 0.496 810 A N 5.226 127.853 122.820 -0.321 0.000 2.311 810 A HA 0.574 4.897 4.320 0.005 0.000 0.306 810 A C -0.593 176.815 177.584 -0.292 0.000 1.189 810 A CA -0.827 50.923 52.037 -0.478 0.000 0.791 810 A CB 0.812 19.403 19.000 -0.682 0.000 1.172 810 A HN 0.627 nan 8.150 nan 0.000 0.481 811 K N 2.310 122.591 120.400 -0.198 0.000 2.258 811 K HA 0.331 4.654 4.320 0.005 0.000 0.284 811 K C -0.425 176.132 176.600 -0.071 0.000 1.051 811 K CA 0.140 56.322 56.287 -0.176 0.000 0.923 811 K CB 0.214 32.596 32.500 -0.197 0.000 1.046 811 K HN 0.668 nan 8.250 nan 0.000 0.474 812 D N 2.875 123.214 120.400 -0.102 0.000 2.697 812 D HA -0.237 4.406 4.640 0.005 0.000 0.238 812 D C -0.048 176.255 176.300 0.007 0.000 1.152 812 D CA 1.035 55.017 54.000 -0.030 0.000 0.666 812 D CB -1.246 39.553 40.800 -0.003 0.000 1.037 812 D HN 0.649 nan 8.370 nan 0.000 0.423 813 I N -2.307 118.116 120.570 -0.245 0.000 2.648 813 I HA 0.310 4.483 4.170 0.005 0.000 0.284 813 I C -0.042 175.781 176.117 -0.490 0.000 1.153 813 I CA -0.277 60.812 61.300 -0.352 0.000 1.426 813 I CB 0.479 38.178 38.000 -0.501 0.000 1.381 813 I HN -0.099 nan 8.210 nan 0.000 0.571 814 F N 7.978 127.527 119.950 -0.669 0.000 2.402 814 F HA 0.595 5.125 4.527 0.005 0.000 0.355 814 F C -0.596 174.786 175.800 -0.696 0.000 1.123 814 F CA -1.876 55.555 58.000 -0.949 0.000 1.021 814 F CB 0.912 39.432 39.000 -0.799 0.000 1.160 814 F HN 0.382 nan 8.300 nan 0.000 0.451 815 I N 5.688 125.802 120.570 -0.759 0.000 2.291 815 I HA 0.198 4.371 4.170 0.005 0.000 0.292 815 I C -0.034 175.574 176.117 -0.847 0.000 1.064 815 I CA -0.084 60.829 61.300 -0.645 0.000 1.269 815 I CB 0.597 38.422 38.000 -0.292 0.000 1.418 815 I HN 0.547 nan 8.210 nan 0.000 0.485 816 E N 5.966 125.590 120.200 -0.960 0.000 2.156 816 E HA 0.416 4.769 4.350 0.005 0.000 0.279 816 E C -0.645 175.743 176.600 -0.353 0.000 0.965 816 E CA -0.524 55.337 56.400 -0.899 0.000 0.789 816 E CB 1.199 30.295 29.700 -1.007 0.000 1.098 816 E HN 0.644 nan 8.360 nan 0.000 0.397 817 T N 1.109 115.579 114.554 -0.141 0.000 2.908 817 T HA 0.464 4.817 4.350 0.005 0.000 0.290 817 T C -2.120 172.557 174.700 -0.039 0.000 1.034 817 T CA -1.797 60.254 62.100 -0.083 0.000 1.010 817 T CB 1.760 70.582 68.868 -0.077 0.000 1.068 817 T HN 0.256 nan 8.240 nan 0.000 0.481 818 P HA 0.207 nan 4.420 nan 0.000 0.245 818 P C 0.223 177.513 177.300 -0.016 0.000 1.206 818 P CA -0.246 62.842 63.100 -0.020 0.000 0.781 818 P CB 0.062 31.749 31.700 -0.021 0.000 0.994 819 L N 1.788 122.998 121.223 -0.021 0.000 2.369 819 L HA 0.145 4.488 4.340 0.005 0.000 0.279 819 L C 0.514 177.382 176.870 -0.004 0.000 1.108 819 L CA 0.080 54.906 54.840 -0.024 0.000 0.852 819 L CB -0.181 41.850 42.059 -0.047 0.000 1.169 819 L HN -0.096 nan 8.230 nan 0.000 0.452 820 Q N 3.602 123.395 119.800 -0.012 0.000 2.337 820 Q HA 0.210 4.553 4.340 0.005 0.000 0.270 820 Q C 1.167 177.192 176.000 0.043 0.000 1.002 820 Q CA 0.875 56.679 55.803 0.001 0.000 0.888 820 Q CB 0.739 29.434 28.738 -0.072 0.000 1.222 820 Q HN 0.958 nan 8.270 nan 0.000 0.400 821 G N 1.755 110.611 108.800 0.093 0.000 2.187 821 G HA2 -0.325 3.637 3.960 0.005 0.000 0.261 821 G HA3 -0.325 3.637 3.960 0.005 0.000 0.261 821 G C 0.406 175.332 174.900 0.044 0.000 1.000 821 G CA 0.372 45.526 45.100 0.090 0.000 0.718 821 G HN 0.891 nan 8.290 nan 0.000 0.519 822 A N -0.272 122.562 122.820 0.024 0.000 2.498 822 A HA 0.614 4.937 4.320 0.005 0.000 0.239 822 A C 0.881 178.411 177.584 -0.090 0.000 1.068 822 A CA 0.404 52.389 52.037 -0.088 0.000 0.766 822 A CB 0.271 19.160 19.000 -0.185 0.000 1.003 822 A HN 0.599 nan 8.150 nan 0.000 0.497 823 R N 0.506 120.896 120.500 -0.183 0.000 2.604 823 R HA 0.551 4.894 4.340 0.005 0.000 0.287 823 R C -1.630 174.537 176.300 -0.222 0.000 0.970 823 R CA -0.276 55.726 56.100 -0.163 0.000 0.946 823 R CB 1.351 31.542 30.300 -0.181 0.000 1.127 823 R HN 0.748 nan 8.270 nan 0.000 0.473 824 Y N -0.406 119.800 120.300 -0.157 0.000 2.409 824 Y HA 0.080 4.633 4.550 0.005 0.000 0.343 824 Y C 1.451 177.323 175.900 -0.047 0.000 0.973 824 Y CA -0.656 57.412 58.100 -0.053 0.000 1.064 824 Y CB 2.304 40.790 38.460 0.043 0.000 1.207 824 Y HN 0.740 nan 8.280 nan 0.000 0.452 825 S N -0.153 115.613 115.700 0.111 0.000 2.400 825 S HA -0.105 4.368 4.470 0.005 0.000 0.232 825 S C 0.122 174.807 174.600 0.142 0.000 1.025 825 S CA 1.571 59.816 58.200 0.076 0.000 0.993 825 S CB 0.032 63.249 63.200 0.029 0.000 0.808 825 S HN 0.749 nan 8.310 nan 0.000 0.478 826 D N -0.780 119.735 120.400 0.192 0.000 2.648 826 D HA 0.609 5.252 4.640 0.005 0.000 0.244 826 D C -1.670 174.699 176.300 0.115 0.000 1.244 826 D CA -0.456 53.650 54.000 0.176 0.000 0.772 826 D CB 1.723 42.511 40.800 -0.019 0.000 1.379 826 D HN 0.090 nan 8.370 nan 0.000 0.428 827 N N 0.339 118.925 118.700 -0.191 0.000 3.348 827 N HA 0.324 5.067 4.740 0.005 0.000 0.233 827 N C -1.246 173.969 175.510 -0.491 0.000 1.440 827 N CA -0.449 52.276 53.050 -0.542 0.000 0.887 827 N CB 0.674 38.514 38.487 -1.078 0.000 1.410 827 N HN 0.434 nan 8.380 nan 0.000 0.502 828 F N -0.143 119.477 119.950 -0.549 0.000 2.983 828 F HA -0.206 4.324 4.527 0.005 0.000 0.288 828 F C -0.553 175.119 175.800 -0.215 0.000 0.980 828 F CA 0.732 58.513 58.000 -0.365 0.000 0.965 828 F CB -1.784 37.037 39.000 -0.298 0.000 0.967 828 F HN 0.348 nan 8.300 nan 0.000 0.800 829 F N -2.140 117.779 119.950 -0.051 0.000 2.603 829 F HA 0.752 5.282 4.527 0.005 0.000 0.317 829 F C -0.225 175.532 175.800 -0.071 0.000 1.066 829 F CA -1.958 56.011 58.000 -0.052 0.000 0.941 829 F CB 0.919 39.878 39.000 -0.068 0.000 1.291 829 F HN -0.177 nan 8.300 nan 0.000 0.472 830 D N 2.448 122.949 120.400 0.168 0.000 2.312 830 D HA 0.245 4.887 4.640 0.005 0.000 0.252 830 D C -0.758 175.618 176.300 0.126 0.000 1.150 830 D CA -0.010 54.008 54.000 0.029 0.000 0.870 830 D CB 2.206 43.004 40.800 -0.003 0.000 1.153 830 D HN 0.502 nan 8.370 nan 0.000 0.457 831 L N 3.878 125.111 121.223 0.017 0.000 2.278 831 L HA 0.227 4.570 4.340 0.005 0.000 0.287 831 L C -0.603 176.215 176.870 -0.088 0.000 1.072 831 L CA -0.256 54.608 54.840 0.041 0.000 0.819 831 L CB 0.378 42.427 42.059 -0.016 0.000 1.176 831 L HN 0.220 nan 8.230 nan 0.000 0.435 832 L N 7.395 128.576 121.223 -0.070 0.000 2.375 832 L HA 0.433 4.776 4.340 0.005 0.000 0.271 832 L C -1.852 174.996 176.870 -0.038 0.000 1.107 832 L CA -2.048 52.745 54.840 -0.078 0.000 0.806 832 L CB 0.693 42.733 42.059 -0.032 0.000 1.146 832 L HN 0.500 nan 8.230 nan 0.000 0.447 833 P HA -0.023 nan 4.420 nan 0.000 0.263 833 P C 0.742 178.011 177.300 -0.052 0.000 1.195 833 P CA 0.624 63.711 63.100 -0.021 0.000 0.762 833 P CB 0.678 32.447 31.700 0.114 0.000 0.799 834 G N 2.440 111.098 108.800 -0.237 0.000 2.155 834 G HA2 -0.255 3.708 3.960 0.005 0.000 0.257 834 G HA3 -0.255 3.708 3.960 0.005 0.000 0.257 834 G C -0.148 174.799 174.900 0.079 0.000 0.983 834 G CA -0.049 44.989 45.100 -0.103 0.000 0.676 834 G HN 0.621 nan 8.290 nan 0.000 0.528 835 E N 0.316 120.511 120.200 -0.008 0.000 2.129 835 E HA 0.419 4.772 4.350 0.005 0.000 0.268 835 E C 0.473 177.133 176.600 0.099 0.000 0.900 835 E CA -0.816 55.629 56.400 0.076 0.000 0.755 835 E CB 1.225 30.953 29.700 0.046 0.000 1.117 835 E HN 0.358 nan 8.360 nan 0.000 0.410 836 R N 2.066 122.673 120.500 0.177 0.000 2.539 836 R HA 0.275 4.618 4.340 0.005 0.000 0.275 836 R C -0.090 176.258 176.300 0.080 0.000 1.077 836 R CA -0.189 56.023 56.100 0.187 0.000 1.097 836 R CB 0.580 30.992 30.300 0.186 0.000 1.018 836 R HN 0.201 nan 8.270 nan 0.000 0.483 837 K N 1.747 122.188 120.400 0.069 0.000 2.565 837 K HA 0.183 4.506 4.320 0.005 0.000 0.249 837 K C -1.416 175.189 176.600 0.009 0.000 0.958 837 K CA -0.608 55.674 56.287 -0.009 0.000 0.806 837 K CB 1.401 33.870 32.500 -0.052 0.000 1.194 837 K HN 0.327 nan 8.250 nan 0.000 0.434 838 K N 3.366 123.752 120.400 -0.022 0.000 2.172 838 K HA 0.490 4.813 4.320 0.005 0.000 0.276 838 K C -1.224 175.362 176.600 -0.023 0.000 1.013 838 K CA -0.707 55.577 56.287 -0.005 0.000 0.913 838 K CB 1.132 33.627 32.500 -0.009 0.000 1.055 838 K HN 0.417 nan 8.250 nan 0.000 0.461 839 V N 6.119 126.040 119.914 0.012 0.000 2.623 839 V HA 0.382 4.505 4.120 0.005 0.000 0.304 839 V C -0.551 175.549 176.094 0.010 0.000 1.054 839 V CA -0.827 61.492 62.300 0.031 0.000 0.882 839 V CB 1.746 33.637 31.823 0.113 0.000 1.002 839 V HN 0.687 nan 8.190 nan 0.000 0.424 840 I N 5.730 126.298 120.570 -0.003 0.000 2.336 840 I HA 0.506 4.679 4.170 0.005 0.000 0.292 840 I C -0.476 175.585 176.117 -0.095 0.000 0.991 840 I CA -0.254 61.021 61.300 -0.042 0.000 1.227 840 I CB 1.523 39.502 38.000 -0.036 0.000 1.366 840 I HN 0.409 nan 8.210 nan 0.000 0.466 841 I N 5.530 125.999 120.570 -0.168 0.000 2.378 841 I HA 0.404 4.577 4.170 0.005 0.000 0.291 841 I C 0.058 176.037 176.117 -0.229 0.000 0.992 841 I CA -0.361 60.744 61.300 -0.325 0.000 1.154 841 I CB 1.906 39.627 38.000 -0.465 0.000 1.315 841 I HN 0.575 nan 8.210 nan 0.000 0.448 842 T N 1.666 116.085 114.554 -0.225 0.000 2.893 842 T HA 0.768 5.121 4.350 0.005 0.000 0.291 842 T C -0.567 174.049 174.700 -0.140 0.000 1.028 842 T CA -0.820 61.193 62.100 -0.146 0.000 0.995 842 T CB 2.010 70.818 68.868 -0.100 0.000 1.051 842 T HN 0.593 nan 8.240 nan 0.000 0.470 843 S N 1.871 117.513 115.700 -0.097 0.000 2.556 843 S HA 0.503 4.976 4.470 0.005 0.000 0.280 843 S C -2.527 172.045 174.600 -0.046 0.000 1.141 843 S CA -1.029 57.128 58.200 -0.070 0.000 0.883 843 S CB 1.767 64.920 63.200 -0.078 0.000 1.103 843 S HN 0.527 nan 8.310 nan 0.000 0.453 844 P HA 0.077 nan 4.420 nan 0.000 0.230 844 P C 0.909 178.199 177.300 -0.016 0.000 1.158 844 P CA 0.466 63.555 63.100 -0.017 0.000 0.769 844 P CB 0.023 31.720 31.700 -0.005 0.000 0.807 845 R N -0.574 119.914 120.500 -0.021 0.000 2.275 845 R HA 0.176 4.519 4.340 0.005 0.000 0.199 845 R C 0.905 177.190 176.300 -0.026 0.000 0.989 845 R CA -0.088 56.001 56.100 -0.018 0.000 1.016 845 R CB -0.253 30.037 30.300 -0.016 0.000 0.918 845 R HN 0.251 nan 8.270 nan 0.000 0.473 846 I N 2.415 122.963 120.570 -0.037 0.000 2.578 846 I HA -0.077 4.095 4.170 0.005 0.000 0.286 846 I C -0.077 176.023 176.117 -0.028 0.000 1.126 846 I CA 0.564 61.840 61.300 -0.040 0.000 1.380 846 I CB 0.594 38.560 38.000 -0.057 0.000 1.408 846 I HN -0.218 nan 8.210 nan 0.000 0.532 847 K N 4.554 124.940 120.400 -0.023 0.000 2.213 847 K HA 0.195 4.518 4.320 0.005 0.000 0.270 847 K C -0.134 176.457 176.600 -0.016 0.000 1.002 847 K CA -0.922 55.355 56.287 -0.016 0.000 0.868 847 K CB 1.661 34.154 32.500 -0.012 0.000 1.093 847 K HN 0.503 nan 8.250 nan 0.000 0.454 848 K N 1.254 121.645 120.400 -0.014 0.000 2.524 848 K HA 0.327 4.650 4.320 0.005 0.000 0.279 848 K C 0.801 177.395 176.600 -0.010 0.000 0.993 848 K CA 1.217 57.497 56.287 -0.012 0.000 1.030 848 K CB -0.351 32.142 32.500 -0.010 0.000 0.891 848 K HN 1.410 nan 8.250 nan 0.000 0.488 852 L N 3.554 124.771 121.223 -0.009 0.000 2.418 852 L HA 0.560 4.903 4.340 0.005 0.000 0.274 852 L C -2.358 174.499 176.870 -0.022 0.000 1.135 852 L CA -1.397 53.425 54.840 -0.029 0.000 0.870 852 L CB 0.850 42.875 42.059 -0.056 0.000 1.154 852 L HN 0.444 nan 8.230 nan 0.000 0.462 853 P HA 0.159 nan 4.420 nan 0.000 0.267 853 P C -1.336 175.922 177.300 -0.070 0.000 1.209 853 P CA 0.038 63.120 63.100 -0.030 0.000 0.763 853 P CB 0.778 32.458 31.700 -0.032 0.000 0.816 854 V N 3.756 123.625 119.914 -0.074 0.000 2.623 854 V HA 0.403 4.526 4.120 0.005 0.000 0.304 854 V C -0.347 175.643 176.094 -0.173 0.000 1.054 854 V CA -0.525 61.665 62.300 -0.184 0.000 0.882 854 V CB 1.984 33.605 31.823 -0.336 0.000 1.002 854 V HN 0.461 nan 8.190 nan 0.000 0.424 855 N N 4.474 123.026 118.700 -0.246 0.000 2.442 855 N HA 0.553 5.295 4.740 0.005 0.000 0.274 855 N C -1.182 174.117 175.510 -0.353 0.000 1.002 855 N CA -0.336 52.570 53.050 -0.239 0.000 0.910 855 N CB 1.213 39.567 38.487 -0.222 0.000 1.244 855 N HN 0.624 nan 8.380 nan 0.000 0.492 856 I N 3.015 123.417 120.570 -0.281 0.000 2.315 856 I HA 0.287 4.460 4.170 0.005 0.000 0.291 856 I C 0.226 176.156 176.117 -0.311 0.000 1.006 856 I CA -0.473 60.635 61.300 -0.319 0.000 1.265 856 I CB 0.947 38.812 38.000 -0.224 0.000 1.387 856 I HN 0.289 nan 8.210 nan 0.000 0.475 857 K N 5.470 125.602 120.400 -0.446 0.000 2.203 857 K HA 0.694 5.017 4.320 0.005 0.000 0.251 857 K C -1.016 175.286 176.600 -0.497 0.000 0.944 857 K CA -0.880 55.055 56.287 -0.586 0.000 0.829 857 K CB 1.921 33.863 32.500 -0.929 0.000 1.125 857 K HN 0.683 nan 8.250 nan 0.000 0.430 858 H N -1.502 117.317 119.070 -0.420 0.000 2.990 858 H HA 0.305 4.864 4.556 0.005 0.000 0.336 858 H C 0.294 175.621 175.328 -0.001 0.000 1.306 858 H CA -0.945 55.005 56.048 -0.164 0.000 1.118 858 H CB 0.389 30.050 29.762 -0.167 0.000 1.856 858 H HN 0.306 nan 8.280 nan 0.000 0.538 859 I N 0.091 120.792 120.570 0.219 0.000 2.179 859 I HA -0.168 4.005 4.170 0.005 0.000 0.242 859 I C 2.552 178.651 176.117 -0.030 0.000 1.088 859 I CA 1.208 62.620 61.300 0.187 0.000 1.357 859 I CB -0.778 37.322 38.000 0.167 0.000 1.051 859 I HN 0.749 nan 8.210 nan 0.000 0.409 860 R N 1.575 122.008 120.500 -0.111 0.000 2.159 860 R HA -0.178 4.165 4.340 0.005 0.000 0.237 860 R C 1.816 177.742 176.300 -0.624 0.000 1.131 860 R CA 1.210 57.042 56.100 -0.447 0.000 0.982 860 R CB -0.189 30.032 30.300 -0.132 0.000 0.868 860 R HN 0.508 nan 8.270 nan 0.000 0.453 861 E N -0.641 119.233 120.200 -0.542 0.000 2.338 861 E HA -0.109 4.244 4.350 0.005 0.000 0.197 861 E C 1.402 177.819 176.600 -0.304 0.000 1.007 861 E CA 1.555 57.681 56.400 -0.456 0.000 0.849 861 E CB 0.009 29.374 29.700 -0.559 0.000 0.774 861 E HN 0.499 nan 8.360 nan 0.000 0.506 862 T N -1.519 112.890 114.554 -0.241 0.000 3.113 862 T HA -0.033 4.320 4.350 0.005 0.000 0.256 862 T C 0.258 175.016 174.700 0.097 0.000 1.131 862 T CA 0.038 62.130 62.100 -0.014 0.000 1.074 862 T CB -0.346 68.609 68.868 0.146 0.000 0.944 862 T HN 0.236 nan 8.240 nan 0.000 0.516 863 Y N -0.559 119.745 120.300 0.007 0.000 2.597 863 Y HA 0.742 5.295 4.550 0.005 0.000 0.340 863 Y C -0.618 175.288 175.900 0.010 0.000 1.097 863 Y CA -1.722 56.387 58.100 0.016 0.000 1.037 863 Y CB 1.038 39.514 38.460 0.026 0.000 1.305 863 Y HN 0.086 nan 8.280 nan 0.000 0.463 864 K N 0.000 120.530 120.400 0.217 0.000 2.780 864 K HA 0.000 4.323 4.320 0.005 0.000 0.191 864 K CA 0.000 56.364 56.287 0.127 0.000 0.838 864 K CB 0.000 32.530 32.500 0.050 0.000 1.064 864 K HN 0.000 nan 8.250 nan 0.000 0.543