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 2vl4_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 KXEELPVNIK 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 0.000 175.508 175.510 -0.003 0.000 1.280 28 N CA 0.000 53.049 53.050 -0.002 0.000 0.885 28 N CB 0.000 38.485 38.487 -0.003 0.000 1.341 29 D N -1.016 119.387 120.400 0.005 0.000 2.825 29 D HA 0.271 4.914 4.640 0.005 0.000 0.327 29 D C 0.334 176.650 176.300 0.027 0.000 1.277 29 D CA 0.562 54.568 54.000 0.011 0.000 0.950 29 D CB 0.591 41.393 40.800 0.003 0.000 1.438 29 D HN 0.280 nan 8.370 nan 0.000 0.526 30 T N -2.583 111.995 114.554 0.039 0.000 3.129 30 T HA 0.184 4.537 4.350 0.005 0.000 0.251 30 T C 0.815 175.563 174.700 0.081 0.000 1.117 30 T CA 0.306 62.437 62.100 0.052 0.000 1.034 30 T CB -0.863 68.034 68.868 0.048 0.000 0.968 30 T HN 0.589 nan 8.240 nan 0.000 0.526 31 S N 1.007 116.766 115.700 0.098 0.000 2.584 31 S HA 0.214 4.687 4.470 0.005 0.000 0.270 31 S C -0.166 174.513 174.600 0.132 0.000 1.346 31 S CA -0.872 57.417 58.200 0.148 0.000 1.018 31 S CB 0.935 64.216 63.200 0.134 0.000 0.899 31 S HN 0.693 nan 8.310 nan 0.000 0.542 32 E N 0.999 121.315 120.200 0.194 0.000 2.187 32 E HA 0.548 4.901 4.350 0.005 0.000 0.268 32 E C -1.569 175.184 176.600 0.254 0.000 0.896 32 E CA -1.038 55.476 56.400 0.190 0.000 0.766 32 E CB 1.627 31.426 29.700 0.165 0.000 1.142 32 E HN 0.524 nan 8.360 nan 0.000 0.408 33 V N 5.542 125.552 119.914 0.161 0.000 2.398 33 V HA 0.347 4.470 4.120 0.005 0.000 0.286 33 V C 0.043 176.216 176.094 0.131 0.000 1.026 33 V CA -0.564 61.809 62.300 0.121 0.000 0.868 33 V CB 1.422 33.273 31.823 0.047 0.000 0.982 33 V HN 0.848 nan 8.190 nan 0.000 0.443 34 M N 5.500 125.183 119.600 0.140 0.000 2.101 34 M HA 0.497 4.980 4.480 0.005 0.000 0.340 34 M C -0.882 175.416 176.300 -0.003 0.000 1.057 34 M CA -0.417 54.943 55.300 0.100 0.000 0.984 34 M CB 1.309 34.020 32.600 0.185 0.000 1.560 34 M HN 0.459 nan 8.290 nan 0.000 0.435 35 L N 5.249 126.480 121.223 0.013 0.000 2.313 35 L HA 0.291 4.634 4.340 0.005 0.000 0.282 35 L C -0.208 176.676 176.870 0.022 0.000 1.092 35 L CA -0.304 54.540 54.840 0.007 0.000 0.831 35 L CB 0.350 42.428 42.059 0.032 0.000 1.159 35 L HN 0.641 nan 8.230 nan 0.000 0.442 36 L N 4.814 126.051 121.223 0.024 0.000 2.466 36 L HA 0.128 4.471 4.340 0.005 0.000 0.248 36 L C 0.164 177.283 176.870 0.414 0.000 1.240 36 L CA -0.024 54.896 54.840 0.133 0.000 1.180 36 L CB -0.292 41.802 42.059 0.058 0.000 1.413 36 L HN 0.716 nan 8.230 nan 0.000 0.406 37 D N -1.125 119.461 120.400 0.310 0.000 2.540 37 D HA 0.059 4.702 4.640 0.005 0.000 0.229 37 D C 0.384 176.881 176.300 0.330 0.000 1.250 37 D CA -0.036 54.147 54.000 0.305 0.000 0.817 37 D CB 0.543 41.430 40.800 0.146 0.000 1.060 37 D HN 0.311 nan 8.370 nan 0.000 0.508 38 T N -5.133 109.629 114.554 0.346 0.000 2.864 38 T HA 0.535 4.888 4.350 0.005 0.000 0.299 38 T C 0.917 175.756 174.700 0.231 0.000 1.166 38 T CA -0.238 62.031 62.100 0.281 0.000 1.007 38 T CB 1.651 70.619 68.868 0.167 0.000 1.219 38 T HN 0.420 nan 8.240 nan 0.000 0.506 39 G N -0.179 108.746 108.800 0.208 0.000 2.148 39 G HA2 -0.215 3.748 3.960 0.005 0.000 0.254 39 G HA3 -0.215 3.748 3.960 0.005 0.000 0.254 39 G C -0.178 174.802 174.900 0.134 0.000 0.981 39 G CA -0.025 45.151 45.100 0.127 0.000 0.670 39 G HN 0.814 nan 8.290 nan 0.000 0.528 40 W N 0.942 122.359 121.300 0.195 0.000 2.261 40 W HA 0.628 5.291 4.660 0.005 0.000 0.323 40 W C 0.787 177.479 176.519 0.289 0.000 1.243 40 W CA -0.333 57.165 57.345 0.256 0.000 1.210 40 W CB 0.637 30.281 29.460 0.308 0.000 1.149 40 W HN 0.206 nan 8.180 nan 0.000 0.562 41 E N 2.183 122.722 120.200 0.565 0.000 2.299 41 E HA 0.609 4.962 4.350 0.005 0.000 0.265 41 E C -1.173 175.831 176.600 0.674 0.000 0.911 41 E CA -1.162 55.577 56.400 0.564 0.000 0.789 41 E CB 2.230 32.177 29.700 0.411 0.000 1.246 41 E HN 0.350 nan 8.360 nan 0.000 0.427 42 F N -1.202 118.904 119.950 0.260 0.000 2.620 42 F HA 0.826 5.356 4.527 0.005 0.000 0.320 42 F C -0.775 174.856 175.800 -0.283 0.000 1.069 42 F CA -0.818 57.059 58.000 -0.206 0.000 0.953 42 F CB 2.155 40.636 39.000 -0.866 0.000 1.322 42 F HN 0.350 nan 8.300 nan 0.000 0.479 43 S N 1.183 116.393 115.700 -0.817 0.000 2.543 43 S HA 0.215 4.688 4.470 0.005 0.000 0.271 43 S C -1.601 172.687 174.600 -0.520 0.000 1.148 43 S CA -0.707 56.856 58.200 -1.061 0.000 0.914 43 S CB 1.691 63.713 63.200 -1.964 0.000 1.096 43 S HN 0.993 nan 8.310 nan 0.000 0.471 44 Q N 3.021 122.538 119.800 -0.472 0.000 2.271 44 Q HA 0.239 4.582 4.340 0.005 0.000 0.273 44 Q C -0.463 175.173 176.000 -0.607 0.000 1.051 44 Q CA 0.064 55.401 55.803 -0.777 0.000 0.901 44 Q CB 0.373 28.734 28.738 -0.629 0.000 1.174 44 Q HN 0.670 nan 8.270 nan 0.000 0.385 45 S N 2.880 118.216 115.700 -0.606 0.000 2.552 45 S HA 0.236 4.709 4.470 0.005 0.000 0.289 45 S C 1.034 175.493 174.600 -0.235 0.000 1.304 45 S CA 0.564 58.560 58.200 -0.341 0.000 1.063 45 S CB 0.652 63.695 63.200 -0.261 0.000 0.848 45 S HN 1.022 nan 8.310 nan 0.000 0.499 46 G N 2.008 110.727 108.800 -0.135 0.000 2.217 46 G HA2 -0.328 3.635 3.960 0.005 0.000 0.246 46 G HA3 -0.328 3.635 3.960 0.005 0.000 0.246 46 G C 0.886 175.713 174.900 -0.121 0.000 0.990 46 G CA 0.835 45.879 45.100 -0.093 0.000 0.627 46 G HN 0.951 nan 8.290 nan 0.000 0.522 47 T N -1.849 112.589 114.554 -0.192 0.000 3.051 47 T HA 0.348 4.701 4.350 0.005 0.000 0.255 47 T C 1.205 175.810 174.700 -0.159 0.000 1.085 47 T CA 1.244 63.235 62.100 -0.182 0.000 1.109 47 T CB -0.200 68.529 68.868 -0.232 0.000 0.921 47 T HN 0.939 nan 8.240 nan 0.000 0.488 48 E N 0.165 120.255 120.200 -0.184 0.000 3.253 48 E HA -0.245 4.108 4.350 0.005 0.000 0.284 48 E C 0.053 176.593 176.600 -0.101 0.000 0.958 48 E CA 0.921 57.273 56.400 -0.081 0.000 0.917 48 E CB -1.565 28.159 29.700 0.039 0.000 1.466 48 E HN 0.740 nan 8.360 nan 0.000 0.455 49 K N 0.678 120.906 120.400 -0.288 0.000 2.213 49 K HA 0.401 4.724 4.320 0.005 0.000 0.270 49 K C -1.149 175.201 176.600 -0.417 0.000 1.002 49 K CA -0.554 55.609 56.287 -0.207 0.000 0.868 49 K CB 0.812 33.211 32.500 -0.168 0.000 1.093 49 K HN 0.045 nan 8.250 nan 0.000 0.454 50 W N 5.095 126.320 121.300 -0.125 0.000 2.666 50 W HA 0.522 5.185 4.660 0.005 0.000 0.334 50 W C -0.441 175.979 176.519 -0.165 0.000 1.051 50 W CA -0.744 56.510 57.345 -0.152 0.000 1.224 50 W CB 1.679 31.107 29.460 -0.054 0.000 1.405 50 W HN 0.331 nan 8.180 nan 0.000 0.513 51 M N 3.044 122.664 119.600 0.033 0.000 2.575 51 M HA 0.400 4.883 4.480 0.005 0.000 0.284 51 M C -2.583 173.908 176.300 0.318 0.000 1.253 51 M CA -2.178 53.130 55.300 0.013 0.000 0.861 51 M CB 2.075 34.487 32.600 -0.314 0.000 1.733 51 M HN -0.036 nan 8.290 nan 0.000 0.462 52 P HA 0.201 nan 4.420 nan 0.000 0.266 52 P C -1.279 176.387 177.300 0.611 0.000 1.195 52 P CA 0.038 63.414 63.100 0.460 0.000 0.768 52 P CB 0.426 32.363 31.700 0.394 0.000 0.838 53 A N 2.439 125.553 122.820 0.491 0.000 2.435 53 A HA 0.784 5.107 4.320 0.005 0.000 0.296 53 A C -0.643 177.089 177.584 0.248 0.000 1.147 53 A CA -0.420 51.812 52.037 0.325 0.000 0.775 53 A CB 1.002 20.236 19.000 0.390 0.000 1.340 53 A HN 0.405 nan 8.150 nan 0.000 0.427 54 T N 0.778 115.390 114.554 0.096 0.000 2.792 54 T HA 0.582 4.935 4.350 0.005 0.000 0.280 54 T C -0.982 173.682 174.700 -0.059 0.000 0.990 54 T CA -0.252 61.879 62.100 0.052 0.000 0.960 54 T CB 1.070 69.942 68.868 0.005 0.000 0.939 54 T HN 0.550 nan 8.240 nan 0.000 0.439 55 V N 5.702 125.555 119.914 -0.102 0.000 2.577 55 V HA 0.404 4.526 4.120 0.005 0.000 0.303 55 V C -2.348 173.658 176.094 -0.147 0.000 1.042 55 V CA -2.123 59.993 62.300 -0.307 0.000 0.872 55 V CB 1.945 33.210 31.823 -0.929 0.000 0.998 55 V HN 0.675 nan 8.190 nan 0.000 0.423 56 P HA 0.491 nan 4.420 nan 0.000 0.269 56 P C 0.188 177.415 177.300 -0.120 0.000 1.209 56 P CA 0.449 63.463 63.100 -0.143 0.000 0.776 56 P CB 0.826 32.481 31.700 -0.075 0.000 0.876 57 G N 0.174 108.880 108.800 -0.157 0.000 2.490 57 G HA2 0.629 4.592 3.960 0.005 0.000 0.308 57 G HA3 0.629 4.592 3.960 0.005 0.000 0.308 57 G C -1.540 173.239 174.900 -0.201 0.000 1.286 57 G CA -0.419 44.590 45.100 -0.152 0.000 0.825 57 G HN 0.616 nan 8.290 nan 0.000 0.479 58 T N -2.723 111.695 114.554 -0.227 0.000 2.900 58 T HA 0.537 4.890 4.350 0.005 0.000 0.303 58 T C 0.996 175.490 174.700 -0.344 0.000 1.142 58 T CA 0.048 61.985 62.100 -0.271 0.000 1.007 58 T CB 1.561 70.328 68.868 -0.169 0.000 1.156 58 T HN 0.767 nan 8.240 nan 0.000 0.490 59 V N 1.156 120.806 119.914 -0.440 0.000 2.282 59 V HA -0.231 3.892 4.120 0.005 0.000 0.249 59 V C 2.437 178.134 176.094 -0.662 0.000 1.057 59 V CA 2.274 64.171 62.300 -0.673 0.000 1.032 59 V CB -1.187 29.965 31.823 -1.119 0.000 0.645 59 V HN 0.984 nan 8.190 nan 0.000 0.447 60 H N -0.740 118.027 119.070 -0.504 0.000 2.321 60 H HA -0.186 4.373 4.556 0.005 0.000 0.300 60 H C 2.321 177.470 175.328 -0.298 0.000 1.087 60 H CA 1.938 57.750 56.048 -0.393 0.000 1.319 60 H CB -0.251 29.304 29.762 -0.344 0.000 1.379 60 H HN 0.348 nan 8.280 nan 0.000 0.501 61 Q N 0.868 120.582 119.800 -0.143 0.000 2.096 61 Q HA -0.158 4.184 4.340 0.005 0.000 0.204 61 Q C 1.387 177.268 176.000 -0.198 0.000 0.982 61 Q CA 1.885 57.599 55.803 -0.149 0.000 0.850 61 Q CB -0.277 28.389 28.738 -0.121 0.000 0.901 61 Q HN 0.436 nan 8.270 nan 0.000 0.422 62 D N -0.423 119.776 120.400 -0.335 0.000 2.123 62 D HA -0.149 4.494 4.640 0.005 0.000 0.196 62 D C 1.924 178.130 176.300 -0.156 0.000 0.992 62 D CA 1.104 54.828 54.000 -0.460 0.000 0.833 62 D CB -0.162 39.928 40.800 -1.183 0.000 0.954 62 D HN 0.309 nan 8.370 nan 0.000 0.455 63 L N 0.373 121.531 121.223 -0.109 0.000 2.017 63 L HA -0.138 4.205 4.340 0.005 0.000 0.208 63 L C 2.579 179.511 176.870 0.103 0.000 1.073 63 L CA 0.707 55.632 54.840 0.141 0.000 0.745 63 L CB -0.342 41.728 42.059 0.019 0.000 0.894 63 L HN -0.008 nan 8.230 nan 0.000 0.432 64 I N -0.071 120.497 120.570 -0.003 0.000 2.151 64 I HA -0.369 3.804 4.170 0.005 0.000 0.243 64 I C 2.766 178.872 176.117 -0.019 0.000 1.080 64 I CA 1.826 63.123 61.300 -0.006 0.000 1.339 64 I CB -0.420 37.550 38.000 -0.050 0.000 1.039 64 I HN 0.381 nan 8.210 nan 0.000 0.409 65 S N -0.387 115.254 115.700 -0.098 0.000 2.442 65 S HA -0.192 4.281 4.470 0.005 0.000 0.236 65 S C 1.440 175.865 174.600 -0.290 0.000 1.007 65 S CA 1.083 59.157 58.200 -0.210 0.000 0.965 65 S CB -0.435 62.574 63.200 -0.318 0.000 0.773 65 S HN 0.503 nan 8.310 nan 0.000 0.504 66 H N 1.018 120.154 119.070 0.110 0.000 2.512 66 H HA 0.355 4.914 4.556 0.005 0.000 0.276 66 H C -0.124 175.270 175.328 0.110 0.000 1.126 66 H CA 0.119 56.243 56.048 0.126 0.000 1.060 66 H CB -0.233 29.635 29.762 0.178 0.000 1.646 66 H HN 0.578 nan 8.280 nan 0.000 0.571 67 E N 0.822 121.116 120.200 0.157 0.000 2.539 67 E HA -0.214 4.139 4.350 0.005 0.000 0.253 67 E C 0.447 177.141 176.600 0.157 0.000 1.145 67 E CA 0.159 56.637 56.400 0.129 0.000 0.738 67 E CB -1.344 28.419 29.700 0.105 0.000 1.308 67 E HN 0.490 nan 8.360 nan 0.000 0.409 68 L N -0.317 121.028 121.223 0.202 0.000 2.607 68 L HA 0.282 4.625 4.340 0.005 0.000 0.228 68 L C 0.674 177.716 176.870 0.286 0.000 1.123 68 L CA 0.332 55.318 54.840 0.242 0.000 0.890 68 L CB 0.330 42.569 42.059 0.300 0.000 1.103 68 L HN 0.118 nan 8.230 nan 0.000 0.468 69 L N -0.017 121.331 121.223 0.208 0.000 2.466 69 L HA 0.478 4.821 4.340 0.005 0.000 0.258 69 L C -2.465 174.483 176.870 0.130 0.000 0.973 69 L CA -1.621 53.336 54.840 0.196 0.000 0.826 69 L CB 3.123 45.252 42.059 0.117 0.000 1.372 69 L HN -0.220 nan 8.230 nan 0.000 0.409 70 P HA 0.090 nan 4.420 nan 0.000 0.276 70 P C -0.951 176.404 177.300 0.092 0.000 1.252 70 P CA -0.546 62.620 63.100 0.110 0.000 0.802 70 P CB 0.550 32.334 31.700 0.139 0.000 1.035 71 N N 2.486 121.243 118.700 0.095 0.000 2.417 71 N HA -0.034 4.709 4.740 0.005 0.000 0.272 71 N C -1.234 174.354 175.510 0.130 0.000 1.304 71 N CA -1.429 51.674 53.050 0.088 0.000 0.906 71 N CB -0.159 38.420 38.487 0.153 0.000 1.135 71 N HN 0.213 nan 8.380 nan 0.000 0.483 72 P HA -0.128 nan 4.420 nan 0.000 0.221 72 P C 0.664 178.145 177.300 0.302 0.000 1.145 72 P CA 1.144 64.258 63.100 0.024 0.000 0.795 72 P CB 0.003 31.588 31.700 -0.192 0.000 0.775 73 F N -2.248 117.867 119.950 0.275 0.000 2.698 73 F HA 0.152 4.682 4.527 0.005 0.000 0.295 73 F C 1.340 177.463 175.800 0.538 0.000 1.124 73 F CA -1.238 57.023 58.000 0.434 0.000 1.426 73 F CB -1.569 37.640 39.000 0.348 0.000 1.120 73 F HN -0.138 nan 8.300 nan 0.000 0.583 74 Y N 1.034 121.644 120.300 0.517 0.000 2.402 74 Y HA 0.409 4.962 4.550 0.005 0.000 0.333 74 Y C 1.377 177.542 175.900 0.442 0.000 1.076 74 Y CA 0.408 58.769 58.100 0.436 0.000 1.299 74 Y CB 0.274 38.910 38.460 0.294 0.000 1.197 74 Y HN 0.320 nan 8.280 nan 0.000 0.517 75 G N 5.070 113.832 108.800 -0.064 0.000 2.698 75 G HA2 -0.374 3.589 3.960 0.005 0.000 0.337 75 G HA3 -0.374 3.589 3.960 0.005 0.000 0.337 75 G C 0.635 175.748 174.900 0.354 0.000 1.196 75 G CA 1.155 46.315 45.100 0.099 0.000 0.965 75 G HN 0.638 nan 8.290 nan 0.000 0.550 76 M N 1.537 121.311 119.600 0.290 0.000 2.596 76 M HA 0.223 4.706 4.480 0.005 0.000 0.364 76 M C 1.093 177.516 176.300 0.206 0.000 1.158 76 M CA -0.156 55.279 55.300 0.225 0.000 0.940 76 M CB 0.622 33.327 32.600 0.174 0.000 1.388 76 M HN 0.344 nan 8.290 nan 0.000 0.522 77 N N 1.553 120.407 118.700 0.257 0.000 2.585 77 N HA -0.152 4.591 4.740 0.005 0.000 0.188 77 N C 1.421 177.024 175.510 0.155 0.000 1.102 77 N CA 0.864 54.047 53.050 0.222 0.000 0.920 77 N CB -0.030 38.615 38.487 0.264 0.000 0.963 77 N HN 0.543 nan 8.380 nan 0.000 0.447 78 E N 1.196 121.467 120.200 0.118 0.000 2.031 78 E HA -0.164 4.189 4.350 0.005 0.000 0.193 78 E C 1.754 178.382 176.600 0.046 0.000 0.994 78 E CA 1.036 57.456 56.400 0.034 0.000 0.800 78 E CB 0.080 29.760 29.700 -0.033 0.000 0.752 78 E HN 0.173 nan 8.360 nan 0.000 0.447 79 K N 0.483 120.926 120.400 0.072 0.000 2.147 79 K HA -0.148 4.175 4.320 0.005 0.000 0.205 79 K C 1.894 178.574 176.600 0.132 0.000 1.049 79 K CA 1.218 57.557 56.287 0.086 0.000 0.936 79 K CB 0.077 32.624 32.500 0.079 0.000 0.722 79 K HN 0.012 nan 8.250 nan 0.000 0.446 80 K N 0.426 120.919 120.400 0.155 0.000 2.442 80 K HA -0.080 4.243 4.320 0.005 0.000 0.198 80 K C 1.682 178.463 176.600 0.301 0.000 1.042 80 K CA 1.042 57.459 56.287 0.218 0.000 0.958 80 K CB 0.029 32.648 32.500 0.198 0.000 0.766 80 K HN 0.382 nan 8.250 nan 0.000 0.474 81 I N -3.298 117.374 120.570 0.170 0.000 4.082 81 I HA 0.073 4.246 4.170 0.005 0.000 0.337 81 I C 1.331 177.373 176.117 -0.125 0.000 1.352 81 I CA -0.240 61.072 61.300 0.020 0.000 1.097 81 I CB 0.390 38.395 38.000 0.008 0.000 1.048 81 I HN -0.214 nan 8.210 nan 0.000 0.393 82 Q N 1.845 121.668 119.800 0.039 0.000 2.226 82 Q HA -0.131 4.212 4.340 0.005 0.000 0.204 82 Q C 1.846 177.889 176.000 0.072 0.000 0.975 82 Q CA 1.847 57.678 55.803 0.046 0.000 0.866 82 Q CB -0.513 28.285 28.738 0.101 0.000 0.915 82 Q HN 0.926 nan 8.270 nan 0.000 0.440 83 W N 0.106 121.468 121.300 0.103 0.000 2.364 83 W HA -0.112 4.551 4.660 0.005 0.000 0.281 83 W C 1.322 177.926 176.519 0.141 0.000 1.219 83 W CA 0.662 58.070 57.345 0.104 0.000 1.220 83 W CB -1.056 28.457 29.460 0.088 0.000 1.127 83 W HN -0.121 nan 8.180 nan 0.000 0.556 84 V N 2.787 122.358 119.914 -0.573 0.000 2.392 84 V HA -0.346 3.777 4.120 0.005 0.000 0.249 84 V C 2.675 178.795 176.094 0.042 0.000 1.059 84 V CA 2.742 64.730 62.300 -0.520 0.000 1.051 84 V CB -1.133 30.067 31.823 -1.040 0.000 0.658 84 V HN 0.347 nan 8.190 nan 0.000 0.455 85 E N 0.411 120.630 120.200 0.032 0.000 2.418 85 E HA -0.187 4.166 4.350 0.005 0.000 0.197 85 E C 1.471 178.161 176.600 0.150 0.000 1.026 85 E CA 1.464 57.920 56.400 0.093 0.000 0.862 85 E CB -0.513 29.205 29.700 0.029 0.000 0.799 85 E HN 0.763 nan 8.360 nan 0.000 0.518 86 N N 0.307 119.114 118.700 0.178 0.000 2.373 86 N HA 0.004 4.747 4.740 0.005 0.000 0.181 86 N C -0.130 175.460 175.510 0.134 0.000 1.082 86 N CA 0.054 53.203 53.050 0.165 0.000 0.885 86 N CB 0.364 38.957 38.487 0.177 0.000 0.977 86 N HN 0.098 nan 8.380 nan 0.000 0.462 87 E N 0.916 121.202 120.200 0.143 0.000 2.250 87 E HA 0.197 4.550 4.350 0.005 0.000 0.269 87 E C -0.734 175.735 176.600 -0.218 0.000 1.018 87 E CA -0.259 56.076 56.400 -0.108 0.000 0.873 87 E CB 0.928 30.423 29.700 -0.341 0.000 1.134 87 E HN 0.055 nan 8.360 nan 0.000 0.403 88 D N 0.308 120.483 120.400 -0.375 0.000 2.277 88 D HA 0.417 5.060 4.640 0.005 0.000 0.250 88 D C -0.565 175.276 176.300 -0.765 0.000 1.032 88 D CA -0.107 53.703 54.000 -0.317 0.000 0.947 88 D CB 0.649 41.344 40.800 -0.174 0.000 1.159 88 D HN 0.222 nan 8.370 nan 0.000 0.460 89 W N 0.211 121.423 121.300 -0.146 0.000 2.998 89 W HA 0.349 5.012 4.660 0.005 0.000 0.335 89 W C -0.178 176.334 176.519 -0.013 0.000 1.110 89 W CA -0.740 56.567 57.345 -0.063 0.000 1.230 89 W CB 1.334 30.854 29.460 0.100 0.000 1.405 89 W HN 0.057 nan 8.180 nan 0.000 0.493 90 E N 1.718 121.987 120.200 0.114 0.000 2.212 90 E HA 0.533 4.886 4.350 0.005 0.000 0.268 90 E C -1.596 175.143 176.600 0.232 0.000 0.902 90 E CA -1.202 55.314 56.400 0.193 0.000 0.779 90 E CB 2.384 32.171 29.700 0.145 0.000 1.172 90 E HN 0.353 nan 8.360 nan 0.000 0.409 91 Y N 0.931 121.469 120.300 0.398 0.000 2.446 91 Y HA 0.445 4.998 4.550 0.005 0.000 0.345 91 Y C -0.023 176.077 175.900 0.334 0.000 0.984 91 Y CA -0.923 57.515 58.100 0.563 0.000 1.058 91 Y CB 2.013 40.862 38.460 0.650 0.000 1.220 91 Y HN 0.468 nan 8.280 nan 0.000 0.455 92 R N 0.613 121.399 120.500 0.476 0.000 2.740 92 R HA 0.874 5.217 4.340 0.005 0.000 0.273 92 R C -1.796 174.476 176.300 -0.048 0.000 0.998 92 R CA -0.783 55.356 56.100 0.065 0.000 0.900 92 R CB 2.393 32.517 30.300 -0.293 0.000 1.223 92 R HN 0.619 nan 8.270 nan 0.000 0.466 93 T N 0.194 114.554 114.554 -0.324 0.000 2.853 93 T HA 0.487 4.839 4.350 0.005 0.000 0.311 93 T C -1.369 173.230 174.700 -0.169 0.000 1.307 93 T CA -0.453 61.367 62.100 -0.467 0.000 1.019 93 T CB 2.041 70.116 68.868 -1.321 0.000 1.264 93 T HN 0.577 nan 8.240 nan 0.000 0.497 94 S N 1.527 117.165 115.700 -0.103 0.000 2.536 94 S HA 0.937 5.410 4.470 0.005 0.000 0.298 94 S C -1.425 173.168 174.600 -0.013 0.000 1.083 94 S CA -0.635 57.494 58.200 -0.119 0.000 0.995 94 S CB 0.725 63.863 63.200 -0.104 0.000 1.058 94 S HN 0.602 nan 8.310 nan 0.000 0.488 95 F N 0.314 120.168 119.950 -0.160 0.000 2.645 95 F HA 0.720 5.250 4.527 0.005 0.000 0.310 95 F C -1.500 174.251 175.800 -0.082 0.000 1.102 95 F CA -1.344 56.599 58.000 -0.094 0.000 0.952 95 F CB 0.667 39.636 39.000 -0.052 0.000 1.326 95 F HN 0.202 nan 8.300 nan 0.000 0.456 96 I N 3.034 123.668 120.570 0.107 0.000 2.392 96 I HA 0.564 4.737 4.170 0.005 0.000 0.295 96 I C -0.439 175.754 176.117 0.128 0.000 0.985 96 I CA -1.085 60.226 61.300 0.018 0.000 1.221 96 I CB 1.434 39.437 38.000 0.005 0.000 1.366 96 I HN 0.531 nan 8.210 nan 0.000 0.467 97 V N 4.850 124.795 119.914 0.051 0.000 2.588 97 V HA 0.387 4.510 4.120 0.005 0.000 0.304 97 V C 0.295 176.381 176.094 -0.013 0.000 1.042 97 V CA -0.676 61.667 62.300 0.072 0.000 0.877 97 V CB 2.051 33.986 31.823 0.188 0.000 0.996 97 V HN 0.926 nan 8.190 nan 0.000 0.425 98 S N 2.385 118.046 115.700 -0.066 0.000 2.617 98 S HA 0.284 4.757 4.470 0.005 0.000 0.269 98 S C 0.984 175.550 174.600 -0.056 0.000 1.292 98 S CA -0.167 57.993 58.200 -0.067 0.000 1.010 98 S CB 1.348 64.493 63.200 -0.092 0.000 0.944 98 S HN 0.827 nan 8.310 nan 0.000 0.536 99 E N 0.570 120.746 120.200 -0.041 0.000 2.130 99 E HA -0.232 4.121 4.350 0.005 0.000 0.196 99 E C 1.370 177.947 176.600 -0.038 0.000 0.998 99 E CA 1.643 58.025 56.400 -0.030 0.000 0.806 99 E CB -0.094 29.591 29.700 -0.024 0.000 0.738 99 E HN 0.788 nan 8.360 nan 0.000 0.459 100 E N 0.362 120.527 120.200 -0.057 0.000 2.072 100 E HA -0.167 4.186 4.350 0.005 0.000 0.191 100 E C 2.044 178.591 176.600 -0.089 0.000 0.985 100 E CA 1.032 57.393 56.400 -0.065 0.000 0.801 100 E CB -0.087 29.571 29.700 -0.071 0.000 0.750 100 E HN 0.292 nan 8.360 nan 0.000 0.452 101 Q N -0.257 119.447 119.800 -0.160 0.000 2.050 101 Q HA -0.125 4.218 4.340 0.005 0.000 0.202 101 Q C 1.935 177.924 176.000 -0.017 0.000 0.980 101 Q CA 0.898 56.545 55.803 -0.261 0.000 0.840 101 Q CB -0.155 28.196 28.738 -0.644 0.000 0.898 101 Q HN 0.167 nan 8.270 nan 0.000 0.424 102 L N 1.160 122.394 121.223 0.018 0.000 2.353 102 L HA -0.126 4.217 4.340 0.005 0.000 0.220 102 L C 1.473 178.366 176.870 0.038 0.000 1.133 102 L CA 1.451 56.333 54.840 0.069 0.000 0.798 102 L CB -0.369 41.717 42.059 0.045 0.000 0.922 102 L HN 0.244 nan 8.230 nan 0.000 0.445 103 N N -0.780 117.926 118.700 0.010 0.000 2.336 103 N HA -0.016 4.727 4.740 0.005 0.000 0.189 103 N C 0.126 175.632 175.510 -0.007 0.000 1.113 103 N CA -0.149 52.900 53.050 -0.002 0.000 0.858 103 N CB 0.358 38.839 38.487 -0.011 0.000 0.970 103 N HN 0.167 nan 8.380 nan 0.000 0.471 104 R N 1.292 121.797 120.500 0.007 0.000 2.738 104 R HA 0.010 4.352 4.340 0.005 0.000 0.268 104 R C 0.805 177.059 176.300 -0.077 0.000 1.062 104 R CA -0.121 55.970 56.100 -0.014 0.000 1.158 104 R CB 0.308 30.634 30.300 0.043 0.000 1.046 104 R HN 0.104 nan 8.270 nan 0.000 0.493 105 D N 0.228 120.546 120.400 -0.137 0.000 2.117 105 D HA -0.032 4.611 4.640 0.005 0.000 0.197 105 D C 0.866 176.995 176.300 -0.285 0.000 0.987 105 D CA 1.464 55.363 54.000 -0.169 0.000 0.829 105 D CB 0.083 40.797 40.800 -0.144 0.000 0.961 105 D HN 0.624 nan 8.370 nan 0.000 0.460 106 G N -0.588 107.836 108.800 -0.626 0.000 2.563 106 G HA2 0.647 4.610 3.960 0.005 0.000 0.302 106 G HA3 0.647 4.610 3.960 0.005 0.000 0.302 106 G C -1.098 173.441 174.900 -0.602 0.000 1.301 106 G CA -0.560 44.074 45.100 -0.777 0.000 0.965 106 G HN 0.025 nan 8.290 nan 0.000 0.480 107 I N 0.552 121.002 120.570 -0.199 0.000 2.512 107 I HA 0.357 4.530 4.170 0.005 0.000 0.287 107 I C -0.632 175.474 176.117 -0.019 0.000 1.069 107 I CA -0.543 60.688 61.300 -0.115 0.000 1.056 107 I CB 2.479 40.407 38.000 -0.119 0.000 1.229 107 I HN 0.373 nan 8.210 nan 0.000 0.429 108 Q N 5.249 125.046 119.800 -0.006 0.000 2.340 108 Q HA 0.569 4.912 4.340 0.005 0.000 0.268 108 Q C -1.772 174.167 176.000 -0.102 0.000 1.031 108 Q CA -0.925 54.889 55.803 0.020 0.000 0.804 108 Q CB 2.814 31.614 28.738 0.102 0.000 1.286 108 Q HN 0.571 nan 8.270 nan 0.000 0.448 109 L N 5.103 126.285 121.223 -0.068 0.000 2.282 109 L HA 0.548 4.891 4.340 0.005 0.000 0.288 109 L C -1.529 175.282 176.870 -0.099 0.000 1.033 109 L CA -0.174 54.585 54.840 -0.135 0.000 0.807 109 L CB 1.281 43.293 42.059 -0.079 0.000 1.209 109 L HN 0.604 nan 8.230 nan 0.000 0.423 110 I N 5.595 126.043 120.570 -0.203 0.000 2.418 110 I HA 0.353 4.526 4.170 0.005 0.000 0.287 110 I C -1.010 174.961 176.117 -0.242 0.000 1.008 110 I CA -0.004 61.232 61.300 -0.106 0.000 1.104 110 I CB 1.373 39.334 38.000 -0.064 0.000 1.264 110 I HN 0.351 nan 8.210 nan 0.000 0.438 111 F N 4.757 124.750 119.950 0.070 0.000 2.332 111 F HA 0.346 4.876 4.527 0.005 0.000 0.368 111 F C 1.404 177.212 175.800 0.012 0.000 1.110 111 F CA -0.384 57.658 58.000 0.070 0.000 1.087 111 F CB 1.069 40.159 39.000 0.150 0.000 1.235 111 F HN 0.541 nan 8.300 nan 0.000 0.470 112 E N 2.147 122.385 120.200 0.064 0.000 2.338 112 E HA 0.112 4.465 4.350 0.005 0.000 0.197 112 E C 0.807 177.325 176.600 -0.136 0.000 1.007 112 E CA 0.355 56.733 56.400 -0.037 0.000 0.849 112 E CB 0.256 29.905 29.700 -0.086 0.000 0.774 112 E HN 0.720 nan 8.360 nan 0.000 0.506 113 G N 0.607 109.357 108.800 -0.084 0.000 2.682 113 G HA2 0.454 4.417 3.960 0.005 0.000 0.300 113 G HA3 0.454 4.417 3.960 0.005 0.000 0.300 113 G C -1.540 173.495 174.900 0.224 0.000 1.396 113 G CA -0.825 44.214 45.100 -0.103 0.000 1.104 113 G HN -0.037 nan 8.290 nan 0.000 0.587 114 L N 2.059 123.544 121.223 0.437 0.000 2.381 114 L HA 0.503 4.845 4.340 0.005 0.000 0.274 114 L C -1.232 175.872 176.870 0.390 0.000 0.988 114 L CA -0.898 54.196 54.840 0.423 0.000 0.824 114 L CB 2.588 44.757 42.059 0.183 0.000 1.263 114 L HN 0.498 nan 8.230 nan 0.000 0.410 115 D N 1.496 122.104 120.400 0.346 0.000 2.472 115 D HA 0.395 5.038 4.640 0.005 0.000 0.234 115 D C 0.024 176.424 176.300 0.167 0.000 1.088 115 D CA -0.065 53.951 54.000 0.027 0.000 0.882 115 D CB 1.451 42.098 40.800 -0.255 0.000 1.037 115 D HN 0.516 nan 8.370 nan 0.000 0.520 116 T N 2.065 116.738 114.554 0.198 0.000 3.507 116 T HA 0.064 4.417 4.350 0.005 0.000 0.280 116 T C -0.208 174.408 174.700 -0.140 0.000 0.976 116 T CA 0.078 62.120 62.100 -0.096 0.000 1.096 116 T CB -0.075 68.567 68.868 -0.377 0.000 1.168 116 T HN 0.205 nan 8.240 nan 0.000 0.463 117 Y N 2.764 123.193 120.300 0.215 0.000 2.627 117 Y HA 0.679 5.232 4.550 0.005 0.000 0.347 117 Y C 0.238 176.256 175.900 0.196 0.000 1.099 117 Y CA -1.122 57.096 58.100 0.197 0.000 1.408 117 Y CB 0.030 38.634 38.460 0.240 0.000 1.247 117 Y HN 0.210 nan 8.280 nan 0.000 0.506 118 A N 2.522 125.382 122.820 0.068 0.000 2.335 118 A HA 0.557 4.880 4.320 0.005 0.000 0.304 118 A C -1.073 176.377 177.584 -0.224 0.000 1.118 118 A CA -0.935 50.935 52.037 -0.277 0.000 0.757 118 A CB 0.619 19.199 19.000 -0.700 0.000 1.188 118 A HN 0.466 nan 8.150 nan 0.000 0.460 119 D N 2.155 122.471 120.400 -0.140 0.000 2.317 119 D HA 0.399 5.042 4.640 0.005 0.000 0.234 119 D C -0.430 175.633 176.300 -0.394 0.000 1.112 119 D CA 0.176 54.032 54.000 -0.240 0.000 0.840 119 D CB 1.669 42.430 40.800 -0.066 0.000 1.078 119 D HN 0.158 nan 8.370 nan 0.000 0.486 120 V N 3.948 123.552 119.914 -0.517 0.000 2.350 120 V HA 0.273 4.396 4.120 0.005 0.000 0.276 120 V C -0.648 175.237 176.094 -0.348 0.000 1.028 120 V CA -0.634 61.467 62.300 -0.331 0.000 0.860 120 V CB 0.128 31.744 31.823 -0.345 0.000 0.990 120 V HN 0.340 nan 8.190 nan 0.000 0.453 121 Y N 4.974 125.386 120.300 0.186 0.000 2.393 121 Y HA 0.743 5.296 4.550 0.005 0.000 0.341 121 Y C -0.318 175.719 175.900 0.229 0.000 0.988 121 Y CA -1.076 57.133 58.100 0.183 0.000 1.078 121 Y CB 1.952 40.515 38.460 0.171 0.000 1.203 121 Y HN 0.494 nan 8.280 nan 0.000 0.453 122 L N 4.404 125.826 121.223 0.330 0.000 2.404 122 L HA 0.523 4.866 4.340 0.005 0.000 0.272 122 L C -0.621 176.369 176.870 0.201 0.000 0.980 122 L CA -0.676 54.328 54.840 0.273 0.000 0.836 122 L CB 0.938 43.151 42.059 0.256 0.000 1.238 122 L HN 0.738 nan 8.230 nan 0.000 0.408 123 N N 4.236 123.039 118.700 0.171 0.000 2.740 123 N HA -0.198 4.545 4.740 0.005 0.000 0.248 123 N C 0.995 176.562 175.510 0.095 0.000 1.062 123 N CA 1.484 54.603 53.050 0.114 0.000 0.704 123 N CB -1.234 37.299 38.487 0.076 0.000 0.968 123 N HN 1.276 nan 8.380 nan 0.000 0.547 124 G N -1.973 106.885 108.800 0.098 0.000 2.225 124 G HA2 -0.300 3.663 3.960 0.005 0.000 0.254 124 G HA3 -0.300 3.663 3.960 0.005 0.000 0.254 124 G C 0.059 175.033 174.900 0.122 0.000 0.988 124 G CA 0.630 45.770 45.100 0.066 0.000 0.625 124 G HN 0.957 nan 8.290 nan 0.000 0.527 125 S N 0.120 115.918 115.700 0.164 0.000 2.457 125 S HA 0.613 5.085 4.470 0.005 0.000 0.289 125 S C 0.193 174.934 174.600 0.236 0.000 1.163 125 S CA -0.534 57.766 58.200 0.167 0.000 1.078 125 S CB 1.007 64.278 63.200 0.119 0.000 0.987 125 S HN 1.186 nan 8.310 nan 0.000 0.482 126 L N 7.241 128.592 121.223 0.212 0.000 2.515 126 L HA 0.307 4.650 4.340 0.005 0.000 0.281 126 L C 0.538 177.380 176.870 -0.045 0.000 1.131 126 L CA 0.502 55.349 54.840 0.012 0.000 0.905 126 L CB -0.296 41.770 42.059 0.013 0.000 1.246 126 L HN 0.852 nan 8.230 nan 0.000 0.463 127 L N 4.854 126.033 121.223 -0.073 0.000 2.270 127 L HA 0.164 4.507 4.340 0.005 0.000 0.210 127 L C -0.022 176.791 176.870 -0.095 0.000 1.104 127 L CA 0.259 55.083 54.840 -0.027 0.000 0.804 127 L CB -0.080 42.004 42.059 0.042 0.000 0.937 127 L HN 0.580 nan 8.230 nan 0.000 0.450 128 L N -0.630 120.471 121.223 -0.202 0.000 2.666 128 L HA 0.306 4.649 4.340 0.005 0.000 0.259 128 L C -1.481 175.197 176.870 -0.320 0.000 0.919 128 L CA -0.446 54.233 54.840 -0.269 0.000 0.927 128 L CB 1.574 43.409 42.059 -0.374 0.000 1.423 128 L HN -0.133 nan 8.230 nan 0.000 0.426 129 K N 4.351 124.598 120.400 -0.253 0.000 2.357 129 K HA 0.758 5.081 4.320 0.005 0.000 0.251 129 K C -0.266 176.200 176.600 -0.223 0.000 1.069 129 K CA -0.380 55.791 56.287 -0.194 0.000 0.994 129 K CB 1.383 33.830 32.500 -0.089 0.000 1.411 129 K HN 0.733 nan 8.250 nan 0.000 0.450 130 A N 2.369 124.987 122.820 -0.338 0.000 2.386 130 A HA 0.158 4.480 4.320 0.005 0.000 0.248 130 A C 0.207 177.743 177.584 -0.080 0.000 1.082 130 A CA -0.023 51.788 52.037 -0.378 0.000 0.789 130 A CB 0.190 18.907 19.000 -0.472 0.000 1.025 130 A HN 0.829 nan 8.150 nan 0.000 0.490 131 D N -0.579 119.824 120.400 0.005 0.000 2.755 131 D HA 0.080 4.723 4.640 0.005 0.000 0.293 131 D C -0.769 175.450 176.300 -0.135 0.000 1.642 131 D CA -0.297 53.651 54.000 -0.088 0.000 0.825 131 D CB -0.538 40.328 40.800 0.110 0.000 1.303 131 D HN 0.277 nan 8.370 nan 0.000 0.434 132 N N 1.083 119.761 118.700 -0.036 0.000 2.599 132 N HA 0.137 4.880 4.740 0.005 0.000 0.283 132 N C 0.360 175.806 175.510 -0.107 0.000 1.160 132 N CA -0.303 52.695 53.050 -0.087 0.000 0.869 132 N CB 1.596 40.080 38.487 -0.006 0.000 1.448 132 N HN 0.053 nan 8.380 nan 0.000 0.535 133 M N 2.516 121.919 119.600 -0.329 0.000 2.260 133 M HA -0.081 4.402 4.480 0.005 0.000 0.261 133 M C -0.079 176.230 176.300 0.014 0.000 1.066 133 M CA 1.818 56.939 55.300 -0.298 0.000 1.082 133 M CB -0.013 32.109 32.600 -0.797 0.000 1.388 133 M HN 0.404 nan 8.290 nan 0.000 0.419 134 F N -0.634 119.436 119.950 0.199 0.000 2.732 134 F HA 0.258 4.788 4.527 0.005 0.000 0.303 134 F C 0.180 175.978 175.800 -0.005 0.000 1.110 134 F CA -0.294 57.862 58.000 0.261 0.000 1.355 134 F CB -0.502 38.702 39.000 0.341 0.000 1.081 134 F HN -0.217 nan 8.300 nan 0.000 0.565 135 V N -0.221 119.599 119.914 -0.157 0.000 2.555 135 V HA 0.730 4.853 4.120 0.005 0.000 0.302 135 V C 0.505 175.919 176.094 -1.133 0.000 1.038 135 V CA -1.089 60.718 62.300 -0.822 0.000 0.887 135 V CB 1.502 32.874 31.823 -0.751 0.000 0.991 135 V HN 0.179 nan 8.190 nan 0.000 0.434 136 G N 2.679 110.389 108.800 -1.818 0.000 2.377 136 G HA2 0.569 4.532 3.960 0.005 0.000 0.299 136 G HA3 0.569 4.532 3.960 0.005 0.000 0.299 136 G C -1.532 172.925 174.900 -0.739 0.000 1.150 136 G CA -0.177 44.390 45.100 -0.888 0.000 0.847 136 G HN 0.508 nan 8.290 nan 0.000 0.501 137 Y N 0.089 120.349 120.300 -0.066 0.000 2.364 137 Y HA 0.475 5.028 4.550 0.005 0.000 0.340 137 Y C 0.598 176.550 175.900 0.087 0.000 0.975 137 Y CA -0.637 57.471 58.100 0.014 0.000 1.089 137 Y CB 2.577 41.065 38.460 0.047 0.000 1.192 137 Y HN 0.381 nan 8.280 nan 0.000 0.454 138 T N 5.508 120.183 114.554 0.200 0.000 2.770 138 T HA 0.635 4.987 4.350 0.005 0.000 0.283 138 T C -0.661 174.122 174.700 0.138 0.000 0.988 138 T CA -0.618 61.563 62.100 0.135 0.000 0.957 138 T CB 0.248 69.162 68.868 0.077 0.000 0.930 138 T HN 0.368 nan 8.240 nan 0.000 0.443 139 L N 5.774 127.075 121.223 0.129 0.000 2.356 139 L HA 0.487 4.830 4.340 0.005 0.000 0.277 139 L C -2.292 174.631 176.870 0.090 0.000 0.996 139 L CA -2.511 52.401 54.840 0.120 0.000 0.822 139 L CB 2.169 44.323 42.059 0.158 0.000 1.256 139 L HN 0.342 nan 8.230 nan 0.000 0.413 140 P HA 0.069 nan 4.420 nan 0.000 0.276 140 P C 0.223 177.564 177.300 0.068 0.000 1.253 140 P CA -0.127 63.019 63.100 0.077 0.000 0.766 140 P CB 1.543 33.288 31.700 0.074 0.000 0.845 141 V N 0.894 120.841 119.914 0.056 0.000 3.398 141 V HA 0.167 4.290 4.120 0.005 0.000 0.298 141 V C 2.007 178.139 176.094 0.064 0.000 1.496 141 V CA 0.179 62.520 62.300 0.069 0.000 1.044 141 V CB -0.455 31.421 31.823 0.088 0.000 0.880 141 V HN 0.329 nan 8.190 nan 0.000 0.443 142 K N 2.735 123.160 120.400 0.042 0.000 2.044 142 K HA -0.236 4.087 4.320 0.005 0.000 0.210 142 K C 2.202 178.833 176.600 0.052 0.000 1.049 142 K CA 2.571 58.885 56.287 0.045 0.000 0.927 142 K CB -0.296 32.210 32.500 0.010 0.000 0.713 142 K HN 0.739 nan 8.250 nan 0.000 0.443 143 S N -0.513 115.213 115.700 0.043 0.000 2.507 143 S HA -0.040 4.433 4.470 0.005 0.000 0.235 143 S C 1.703 176.332 174.600 0.048 0.000 0.988 143 S CA 0.891 59.115 58.200 0.040 0.000 0.944 143 S CB 0.332 63.553 63.200 0.034 0.000 0.762 143 S HN 0.165 nan 8.310 nan 0.000 0.526 144 V N 0.823 120.775 119.914 0.062 0.000 3.307 144 V HA 0.340 4.463 4.120 0.005 0.000 0.253 144 V C 0.936 177.073 176.094 0.072 0.000 1.149 144 V CA 0.203 62.545 62.300 0.070 0.000 1.112 144 V CB -0.284 31.591 31.823 0.088 0.000 0.777 144 V HN 0.443 nan 8.190 nan 0.000 0.464 145 L N 0.777 122.049 121.223 0.083 0.000 2.436 145 L HA 0.346 4.689 4.340 0.005 0.000 0.265 145 L C 0.309 177.205 176.870 0.043 0.000 1.168 145 L CA 0.267 55.157 54.840 0.083 0.000 0.815 145 L CB 0.450 42.600 42.059 0.152 0.000 1.109 145 L HN 0.192 nan 8.230 nan 0.000 0.462 146 R N 1.176 121.677 120.500 0.002 0.000 2.750 146 R HA 0.341 4.684 4.340 0.005 0.000 0.281 146 R C -0.840 175.444 176.300 -0.026 0.000 0.972 146 R CA -1.068 55.024 56.100 -0.014 0.000 0.912 146 R CB 2.057 32.336 30.300 -0.035 0.000 1.187 146 R HN 0.398 nan 8.270 nan 0.000 0.464 147 K N 1.392 121.782 120.400 -0.016 0.000 2.448 147 K HA 0.203 4.526 4.320 0.005 0.000 0.278 147 K C 0.414 176.986 176.600 -0.047 0.000 1.009 147 K CA 1.280 57.554 56.287 -0.023 0.000 0.995 147 K CB 0.311 32.801 32.500 -0.016 0.000 0.917 147 K HN 0.749 nan 8.250 nan 0.000 0.481 148 G N 2.905 111.671 108.800 -0.056 0.000 2.481 148 G HA2 -0.216 3.747 3.960 0.005 0.000 0.230 148 G HA3 -0.216 3.747 3.960 0.005 0.000 0.230 148 G C -0.979 173.833 174.900 -0.146 0.000 1.210 148 G CA -0.495 44.558 45.100 -0.077 0.000 0.936 148 G HN 0.650 nan 8.290 nan 0.000 0.583 149 E N 1.891 121.980 120.200 -0.186 0.000 2.360 149 E HA 0.278 4.631 4.350 0.005 0.000 0.269 149 E C -0.039 176.241 176.600 -0.533 0.000 1.022 149 E CA 0.060 56.249 56.400 -0.351 0.000 0.887 149 E CB 0.520 30.038 29.700 -0.303 0.000 0.990 149 E HN 0.429 nan 8.360 nan 0.000 0.426 150 N N 1.971 120.171 118.700 -0.833 0.000 2.225 150 N HA 0.270 5.013 4.740 0.005 0.000 0.298 150 N C -0.992 173.943 175.510 -0.959 0.000 1.076 150 N CA -0.516 51.999 53.050 -0.892 0.000 0.792 150 N CB 1.606 39.382 38.487 -1.184 0.000 1.498 150 N HN 0.346 nan 8.380 nan 0.000 0.474 151 H N 1.708 120.632 119.070 -0.243 0.000 2.708 151 H HA 0.279 4.838 4.556 0.005 0.000 0.320 151 H C -0.650 174.731 175.328 0.088 0.000 0.991 151 H CA -0.551 55.452 56.048 -0.074 0.000 1.243 151 H CB 2.152 31.898 29.762 -0.027 0.000 1.446 151 H HN 0.332 nan 8.280 nan 0.000 0.502 152 L N 4.234 125.605 121.223 0.246 0.000 2.309 152 L HA 0.356 4.699 4.340 0.005 0.000 0.282 152 L C -1.450 175.651 176.870 0.387 0.000 1.036 152 L CA -0.563 54.486 54.840 0.347 0.000 0.806 152 L CB 0.830 43.099 42.059 0.351 0.000 1.220 152 L HN 0.543 nan 8.230 nan 0.000 0.429 153 Y N 5.176 125.695 120.300 0.365 0.000 2.361 153 Y HA 0.634 5.187 4.550 0.005 0.000 0.328 153 Y C -1.136 175.057 175.900 0.487 0.000 1.044 153 Y CA -0.741 57.609 58.100 0.417 0.000 1.085 153 Y CB 1.444 40.101 38.460 0.328 0.000 1.194 153 Y HN 0.508 nan 8.280 nan 0.000 0.438 154 I N 6.561 127.407 120.570 0.460 0.000 2.436 154 I HA 0.247 4.420 4.170 0.005 0.000 0.289 154 I C -1.448 174.870 176.117 0.335 0.000 1.010 154 I CA -0.970 60.523 61.300 0.323 0.000 1.098 154 I CB 1.860 39.941 38.000 0.135 0.000 1.266 154 I HN 0.583 nan 8.210 nan 0.000 0.434 155 Y N 6.450 126.840 120.300 0.150 0.000 2.342 155 Y HA 0.486 5.039 4.550 0.005 0.000 0.338 155 Y C -1.066 174.744 175.900 -0.151 0.000 0.965 155 Y CA -0.547 57.637 58.100 0.140 0.000 1.159 155 Y CB 0.856 39.424 38.460 0.181 0.000 1.157 155 Y HN 0.351 nan 8.280 nan 0.000 0.486 156 F N 5.508 125.483 119.950 0.041 0.000 2.350 156 F HA 0.258 4.788 4.527 0.005 0.000 0.365 156 F C 0.325 176.183 175.800 0.097 0.000 1.122 156 F CA -0.655 57.431 58.000 0.143 0.000 1.139 156 F CB 0.255 39.379 39.000 0.208 0.000 1.220 156 F HN 0.450 nan 8.300 nan 0.000 0.499 157 H N 1.316 120.686 119.070 0.501 0.000 2.848 157 H HA -0.015 4.544 4.556 0.005 0.000 0.341 157 H C 0.538 176.084 175.328 0.363 0.000 1.060 157 H CA -0.154 56.147 56.048 0.421 0.000 1.444 157 H CB 1.319 31.269 29.762 0.313 0.000 1.446 157 H HN 0.516 nan 8.280 nan 0.000 0.583 158 S N 4.744 120.666 115.700 0.371 0.000 2.575 158 S HA -0.031 4.442 4.470 0.005 0.000 0.295 158 S C -1.192 173.579 174.600 0.285 0.000 1.267 158 S CA -1.160 57.217 58.200 0.294 0.000 1.074 158 S CB 0.514 63.837 63.200 0.204 0.000 0.829 158 S HN 0.514 nan 8.310 nan 0.000 0.497 159 P HA -0.056 nan 4.420 nan 0.000 0.223 159 P C 1.433 178.874 177.300 0.235 0.000 1.151 159 P CA 0.579 63.910 63.100 0.386 0.000 0.787 159 P CB -0.018 31.906 31.700 0.375 0.000 0.788 160 I N 1.252 121.918 120.570 0.159 0.000 2.193 160 I HA -0.158 4.015 4.170 0.005 0.000 0.240 160 I C 2.705 178.856 176.117 0.056 0.000 1.084 160 I CA 1.606 62.960 61.300 0.091 0.000 1.365 160 I CB -1.473 36.558 38.000 0.052 0.000 1.064 160 I HN 0.062 nan 8.210 nan 0.000 0.410 161 R N 1.191 121.734 120.500 0.071 0.000 2.148 161 R HA -0.164 4.179 4.340 0.005 0.000 0.223 161 R C 2.040 178.334 176.300 -0.009 0.000 1.088 161 R CA 1.108 57.235 56.100 0.045 0.000 0.985 161 R CB -0.705 29.640 30.300 0.074 0.000 0.880 161 R HN 0.183 nan 8.270 nan 0.000 0.451 162 Q N 1.013 120.783 119.800 -0.050 0.000 2.124 162 Q HA -0.107 4.236 4.340 0.005 0.000 0.202 162 Q C 1.547 177.412 176.000 -0.225 0.000 0.977 162 Q CA 2.458 58.120 55.803 -0.235 0.000 0.850 162 Q CB -0.110 28.303 28.738 -0.543 0.000 0.901 162 Q HN 0.636 nan 8.270 nan 0.000 0.429 163 T N -3.240 111.246 114.554 -0.113 0.000 3.022 163 T HA 0.195 4.548 4.350 0.005 0.000 0.250 163 T C 1.678 176.336 174.700 -0.070 0.000 1.060 163 T CA -0.062 61.987 62.100 -0.084 0.000 1.013 163 T CB -0.114 68.805 68.868 0.086 0.000 0.982 163 T HN 0.181 nan 8.240 nan 0.000 0.508 164 L N 1.569 122.775 121.223 -0.028 0.000 2.043 164 L HA -0.015 4.328 4.340 0.005 0.000 0.212 164 L C -0.206 176.674 176.870 0.016 0.000 1.075 164 L CA 1.528 56.379 54.840 0.017 0.000 0.752 164 L CB -1.306 40.768 42.059 0.025 0.000 0.891 164 L HN 0.272 nan 8.230 nan 0.000 0.432 165 P HA -0.187 nan 4.420 nan 0.000 0.219 165 P C 1.424 178.633 177.300 -0.151 0.000 1.150 165 P CA 1.235 64.289 63.100 -0.078 0.000 0.814 165 P CB 0.068 31.718 31.700 -0.083 0.000 0.787 166 Q N -1.091 118.563 119.800 -0.242 0.000 2.079 166 Q HA -0.196 4.147 4.340 0.005 0.000 0.200 166 Q C 2.303 177.954 176.000 -0.582 0.000 0.974 166 Q CA 1.129 56.667 55.803 -0.442 0.000 0.840 166 Q CB -0.582 27.789 28.738 -0.612 0.000 0.898 166 Q HN 0.110 nan 8.270 nan 0.000 0.430 167 Y N 0.321 120.259 120.300 -0.604 0.000 2.145 167 Y HA -0.202 4.351 4.550 0.005 0.000 0.286 167 Y C 2.002 177.802 175.900 -0.167 0.000 1.145 167 Y CA 1.645 59.553 58.100 -0.320 0.000 1.148 167 Y CB -0.567 37.847 38.460 -0.077 0.000 0.981 167 Y HN 0.198 nan 8.280 nan 0.000 0.507 168 A N -0.297 122.441 122.820 -0.137 0.000 1.978 168 A HA -0.223 4.100 4.320 0.005 0.000 0.220 168 A C 2.430 179.888 177.584 -0.210 0.000 1.170 168 A CA 2.187 54.126 52.037 -0.164 0.000 0.636 168 A CB -1.346 17.635 19.000 -0.032 0.000 0.810 168 A HN 0.618 nan 8.150 nan 0.000 0.448 169 S N -0.449 115.127 115.700 -0.206 0.000 2.481 169 S HA -0.103 4.370 4.470 0.005 0.000 0.231 169 S C 1.569 176.056 174.600 -0.189 0.000 0.996 169 S CA 1.231 59.329 58.200 -0.170 0.000 0.942 169 S CB -0.507 62.603 63.200 -0.148 0.000 0.768 169 S HN 0.574 nan 8.310 nan 0.000 0.520 170 N N 1.233 119.760 118.700 -0.288 0.000 2.376 170 N HA 0.150 4.893 4.740 0.005 0.000 0.177 170 N C 1.434 176.774 175.510 -0.282 0.000 1.024 170 N CA 1.204 54.074 53.050 -0.301 0.000 0.893 170 N CB -0.385 37.892 38.487 -0.351 0.000 0.980 170 N HN 0.586 nan 8.380 nan 0.000 0.439 171 G N -1.037 107.606 108.800 -0.262 0.000 2.189 171 G HA2 -0.262 3.701 3.960 0.005 0.000 0.267 171 G HA3 -0.262 3.701 3.960 0.005 0.000 0.267 171 G C 0.075 175.001 174.900 0.043 0.000 0.975 171 G CA 1.087 46.129 45.100 -0.095 0.000 0.644 171 G HN 0.557 nan 8.290 nan 0.000 0.537 172 F N -1.743 118.136 119.950 -0.118 0.000 2.662 172 F HA 0.783 5.313 4.527 0.005 0.000 0.312 172 F C -0.969 174.846 175.800 0.025 0.000 1.113 172 F CA -2.041 55.950 58.000 -0.016 0.000 0.951 172 F CB 0.980 40.011 39.000 0.052 0.000 1.344 172 F HN -0.010 nan 8.300 nan 0.000 0.462 173 N N 1.145 120.089 118.700 0.408 0.000 2.424 173 N HA 0.301 5.044 4.740 0.005 0.000 0.271 173 N C -1.456 174.374 175.510 0.534 0.000 0.985 173 N CA -0.553 52.770 53.050 0.455 0.000 0.921 173 N CB 0.460 39.177 38.487 0.383 0.000 1.149 173 N HN 0.637 nan 8.380 nan 0.000 0.492 174 Y N 3.073 123.558 120.300 0.308 0.000 2.702 174 Y HA 0.077 4.630 4.550 0.005 0.000 0.336 174 Y C -1.155 174.889 175.900 0.240 0.000 1.235 174 Y CA -0.802 57.410 58.100 0.186 0.000 1.492 174 Y CB 0.577 38.962 38.460 -0.126 0.000 1.308 174 Y HN 0.485 nan 8.280 nan 0.000 0.589 175 P HA 0.142 nan 4.420 nan 0.000 0.212 175 P C -0.900 176.393 177.300 -0.013 0.000 1.816 175 P CA 0.037 63.193 63.100 0.094 0.000 0.944 175 P CB -0.314 31.190 31.700 -0.327 0.000 1.896 176 A N 1.441 124.168 122.820 -0.154 0.000 2.923 176 A HA 0.189 4.512 4.320 0.005 0.000 0.306 176 A C 1.172 178.349 177.584 -0.679 0.000 1.542 176 A CA -0.381 51.440 52.037 -0.360 0.000 1.225 176 A CB -0.345 18.436 19.000 -0.365 0.000 1.147 176 A HN 0.085 nan 8.150 nan 0.000 0.542 177 D N 0.939 121.125 120.400 -0.357 0.000 2.265 177 D HA -0.144 4.499 4.640 0.005 0.000 0.208 177 D C 1.004 177.112 176.300 -0.321 0.000 0.977 177 D CA 1.039 54.874 54.000 -0.275 0.000 0.871 177 D CB 0.154 40.883 40.800 -0.118 0.000 0.925 177 D HN 0.550 nan 8.370 nan 0.000 0.485 178 N N 0.993 119.364 118.700 -0.549 0.000 2.494 178 N HA -0.089 4.653 4.740 0.005 0.000 0.182 178 N C 0.255 175.379 175.510 -0.643 0.000 1.076 178 N CA 0.329 52.918 53.050 -0.768 0.000 0.908 178 N CB 0.201 37.629 38.487 -1.765 0.000 0.967 178 N HN 0.155 nan 8.380 nan 0.000 0.449 179 D N 0.916 121.061 120.400 -0.425 0.000 2.352 179 D HA 0.009 4.652 4.640 0.005 0.000 0.245 179 D C -0.494 175.838 176.300 0.053 0.000 1.224 179 D CA -0.135 53.748 54.000 -0.194 0.000 0.879 179 D CB -0.094 40.575 40.800 -0.218 0.000 1.057 179 D HN 0.251 nan 8.370 nan 0.000 0.491 180 H N 4.233 123.363 119.070 0.101 0.000 2.745 180 H HA 0.177 4.736 4.556 0.005 0.000 0.235 180 H C -0.030 175.411 175.328 0.188 0.000 1.815 180 H CA -0.302 55.804 56.048 0.097 0.000 1.321 180 H CB 0.147 29.921 29.762 0.020 0.000 1.716 180 H HN 0.329 nan 8.280 nan 0.000 0.546 181 H N 0.755 119.964 119.070 0.233 0.000 3.042 181 H HA -0.010 4.549 4.556 0.005 0.000 0.346 181 H C 0.536 175.903 175.328 0.066 0.000 1.294 181 H CA -0.457 55.672 56.048 0.134 0.000 1.141 181 H CB 1.785 31.625 29.762 0.130 0.000 1.872 181 H HN 0.558 nan 8.280 nan 0.000 0.541 182 E N 2.248 122.366 120.200 -0.137 0.000 2.110 182 E HA -0.069 4.284 4.350 0.005 0.000 0.193 182 E C -0.462 176.051 176.600 -0.146 0.000 0.988 182 E CA 0.898 57.234 56.400 -0.105 0.000 0.804 182 E CB 0.262 29.873 29.700 -0.147 0.000 0.745 182 E HN 0.352 nan 8.360 nan 0.000 0.458 183 K N 0.626 121.092 120.400 0.109 0.000 2.211 183 K HA 0.224 4.547 4.320 0.005 0.000 0.275 183 K C -1.068 175.416 176.600 -0.193 0.000 1.024 183 K CA -0.322 55.759 56.287 -0.343 0.000 0.887 183 K CB 1.070 33.190 32.500 -0.633 0.000 1.084 183 K HN 0.220 nan 8.250 nan 0.000 0.463 184 H N 3.508 122.531 119.070 -0.077 0.000 2.820 184 H HA 0.093 4.652 4.556 0.005 0.000 0.248 184 H C 0.820 176.091 175.328 -0.096 0.000 1.714 184 H CA -0.374 55.644 56.048 -0.050 0.000 1.334 184 H CB 0.046 29.814 29.762 0.011 0.000 1.693 184 H HN 0.380 nan 8.280 nan 0.000 0.548 185 L N 0.866 122.079 121.223 -0.017 0.000 2.418 185 L HA -0.108 4.235 4.340 0.005 0.000 0.218 185 L C 2.384 179.180 176.870 -0.124 0.000 1.125 185 L CA 0.447 55.336 54.840 0.081 0.000 0.835 185 L CB -0.194 41.910 42.059 0.075 0.000 0.953 185 L HN 0.567 nan 8.230 nan 0.000 0.454 186 S N 0.556 115.891 115.700 -0.608 0.000 2.374 186 S HA -0.209 4.264 4.470 0.005 0.000 0.227 186 S C 1.947 176.301 174.600 -0.409 0.000 1.037 186 S CA 1.494 59.070 58.200 -1.040 0.000 1.024 186 S CB -1.260 61.260 63.200 -1.132 0.000 0.861 186 S HN 0.375 nan 8.310 nan 0.000 0.456 187 V N -2.013 117.605 119.914 -0.493 0.000 2.913 187 V HA 0.083 4.206 4.120 0.005 0.000 0.260 187 V C 1.854 177.645 176.094 -0.505 0.000 1.098 187 V CA 1.129 63.066 62.300 -0.606 0.000 1.121 187 V CB -1.473 29.624 31.823 -1.211 0.000 0.714 187 V HN 0.377 nan 8.190 nan 0.000 0.487 188 F N 1.079 120.980 119.950 -0.082 0.000 2.743 188 F HA 0.344 4.874 4.527 0.005 0.000 0.297 188 F C 1.319 177.288 175.800 0.281 0.000 1.131 188 F CA 0.117 58.137 58.000 0.033 0.000 1.426 188 F CB -0.210 38.807 39.000 0.028 0.000 1.116 188 F HN 0.097 nan 8.300 nan 0.000 0.583 189 S N 0.548 116.494 115.700 0.411 0.000 2.482 189 S HA 0.446 4.919 4.470 0.005 0.000 0.303 189 S C 0.044 174.818 174.600 0.290 0.000 1.091 189 S CA -0.868 57.569 58.200 0.395 0.000 1.057 189 S CB 1.433 64.875 63.200 0.403 0.000 1.031 189 S HN -0.070 nan 8.310 nan 0.000 0.485 190 R N 2.888 123.491 120.500 0.171 0.000 3.268 190 R HA 0.299 4.642 4.340 0.005 0.000 0.217 190 R C -0.165 175.966 176.300 -0.281 0.000 1.568 190 R CA -0.013 56.140 56.100 0.088 0.000 1.322 190 R CB -0.959 29.392 30.300 0.085 0.000 1.280 190 R HN 0.531 nan 8.270 nan 0.000 0.667 191 K N -0.273 120.036 120.400 -0.151 0.000 2.502 191 K HA 0.484 4.807 4.320 0.005 0.000 0.257 191 K C -0.951 175.676 176.600 0.045 0.000 0.938 191 K CA -0.720 55.397 56.287 -0.283 0.000 0.819 191 K CB 2.073 34.576 32.500 0.005 0.000 1.333 191 K HN 0.345 nan 8.250 nan 0.000 0.434 192 A N 4.901 127.734 122.820 0.021 0.000 2.563 192 A HA 0.086 4.409 4.320 0.005 0.000 0.256 192 A C -1.944 175.833 177.584 0.321 0.000 1.056 192 A CA -0.611 51.614 52.037 0.314 0.000 0.775 192 A CB -0.383 18.802 19.000 0.308 0.000 0.973 192 A HN 0.628 nan 8.150 nan 0.000 0.516 193 P HA -0.230 nan 4.420 nan 0.000 0.216 193 P C 1.318 178.874 177.300 0.426 0.000 1.153 193 P CA 2.010 65.305 63.100 0.326 0.000 0.858 193 P CB -0.175 31.646 31.700 0.202 0.000 0.789 194 Y N -0.133 120.259 120.300 0.155 0.000 2.403 194 Y HA -0.159 4.394 4.550 0.005 0.000 0.291 194 Y C 2.082 178.066 175.900 0.140 0.000 1.143 194 Y CA 1.178 59.394 58.100 0.192 0.000 1.257 194 Y CB -1.525 37.056 38.460 0.202 0.000 0.984 194 Y HN -0.025 nan 8.280 nan 0.000 0.550 195 S N -0.481 114.834 115.700 -0.642 0.000 2.442 195 S HA -0.244 4.229 4.470 0.005 0.000 0.236 195 S C 1.287 175.619 174.600 -0.448 0.000 1.007 195 S CA 1.007 58.755 58.200 -0.754 0.000 0.965 195 S CB -1.296 61.513 63.200 -0.652 0.000 0.773 195 S HN 0.693 nan 8.310 nan 0.000 0.504 196 Y N 2.583 122.757 120.300 -0.211 0.000 2.529 196 Y HA 0.405 4.958 4.550 0.005 0.000 0.290 196 Y C 1.522 177.284 175.900 -0.230 0.000 1.177 196 Y CA 0.171 58.181 58.100 -0.149 0.000 1.305 196 Y CB -0.293 38.125 38.460 -0.070 0.000 1.047 196 Y HN 0.598 nan 8.280 nan 0.000 0.522 197 G N -0.986 107.721 108.800 -0.154 0.000 2.484 197 G HA2 -0.039 3.924 3.960 0.005 0.000 0.685 197 G HA3 -0.039 3.924 3.960 0.005 0.000 0.685 197 G C -1.423 173.309 174.900 -0.281 0.000 1.294 197 G CA -0.909 43.958 45.100 -0.388 0.000 0.879 197 G HN 0.151 nan 8.290 nan 0.000 0.646 198 W N 0.090 121.049 121.300 -0.568 0.000 2.923 198 W HA 0.354 5.017 4.660 0.005 0.000 0.373 198 W C -0.006 176.294 176.519 -0.366 0.000 1.205 198 W CA 0.328 57.311 57.345 -0.603 0.000 1.180 198 W CB 1.387 30.186 29.460 -1.102 0.000 1.477 198 W HN 0.795 nan 8.180 nan 0.000 0.581 199 D N -0.540 119.632 120.400 -0.380 0.000 2.352 199 D HA -0.072 4.571 4.640 0.005 0.000 0.232 199 D C 0.867 177.361 176.300 0.322 0.000 1.055 199 D CA 0.592 54.601 54.000 0.015 0.000 0.891 199 D CB -0.586 40.256 40.800 0.069 0.000 0.897 199 D HN 0.418 nan 8.370 nan 0.000 0.529 200 W N -1.354 120.283 121.300 0.562 0.000 2.036 200 W HA 0.589 5.252 4.660 0.005 0.000 0.298 200 W C -0.182 176.661 176.519 0.540 0.000 0.885 200 W CA -0.901 56.722 57.345 0.464 0.000 1.488 200 W CB 0.120 29.863 29.460 0.472 0.000 1.079 200 W HN -0.004 nan 8.180 nan 0.000 0.506 201 G N 1.827 110.897 108.800 0.450 0.000 2.571 201 G HA2 0.542 4.505 3.960 0.005 0.000 0.304 201 G HA3 0.542 4.505 3.960 0.005 0.000 0.304 201 G C -1.360 173.436 174.900 -0.174 0.000 1.314 201 G CA -0.910 44.367 45.100 0.295 0.000 0.975 201 G HN 0.107 nan 8.290 nan 0.000 0.485 202 I N 0.727 120.721 120.570 -0.959 0.000 2.575 202 I HA 0.342 4.515 4.170 0.005 0.000 0.285 202 I C 0.716 176.538 176.117 -0.491 0.000 1.085 202 I CA -0.822 59.883 61.300 -0.990 0.000 1.403 202 I CB 0.734 37.721 38.000 -1.689 0.000 1.409 202 I HN 0.441 nan 8.210 nan 0.000 0.557 203 R N 8.434 128.753 120.500 -0.302 0.000 2.288 203 R HA 0.361 4.704 4.340 0.005 0.000 0.330 203 R C -1.224 174.889 176.300 -0.313 0.000 1.069 203 R CA 0.014 55.969 56.100 -0.240 0.000 0.941 203 R CB 0.329 30.583 30.300 -0.077 0.000 0.998 203 R HN 0.660 nan 8.270 nan 0.000 0.452 204 M N 5.664 125.015 119.600 -0.415 0.000 2.060 204 M HA 0.158 4.641 4.480 0.005 0.000 0.231 204 M C -1.069 174.905 176.300 -0.544 0.000 0.936 204 M CA -0.673 54.304 55.300 -0.539 0.000 0.981 204 M CB 2.029 34.227 32.600 -0.669 0.000 2.216 204 M HN 0.187 nan 8.290 nan 0.000 0.399 205 V N 1.559 121.225 119.914 -0.413 0.000 2.326 205 V HA 0.124 4.247 4.120 0.005 0.000 0.249 205 V C 0.698 176.660 176.094 -0.219 0.000 1.114 205 V CA 0.390 62.422 62.300 -0.446 0.000 1.028 205 V CB 0.356 31.882 31.823 -0.495 0.000 1.170 205 V HN 0.753 nan 8.190 nan 0.000 0.494 206 T N 3.474 117.870 114.554 -0.263 0.000 2.884 206 T HA 0.658 5.011 4.350 0.005 0.000 0.277 206 T C 0.072 174.656 174.700 -0.194 0.000 0.976 206 T CA -0.206 61.820 62.100 -0.122 0.000 0.956 206 T CB 1.417 70.191 68.868 -0.156 0.000 1.113 206 T HN 0.634 nan 8.240 nan 0.000 0.554 207 S N -0.998 114.544 115.700 -0.262 0.000 2.638 207 S HA 0.899 5.372 4.470 0.005 0.000 0.274 207 S C -0.260 173.960 174.600 -0.634 0.000 1.157 207 S CA -0.172 57.811 58.200 -0.362 0.000 0.826 207 S CB 1.707 64.753 63.200 -0.256 0.000 1.139 207 S HN 1.339 nan 8.310 nan 0.000 0.474 208 G N -0.398 107.800 108.800 -1.003 0.000 2.369 208 G HA2 0.221 4.184 3.960 0.005 0.000 0.295 208 G HA3 0.221 4.184 3.960 0.005 0.000 0.295 208 G C -1.800 172.782 174.900 -0.531 0.000 1.298 208 G CA -0.706 43.660 45.100 -1.222 0.000 0.940 208 G HN 0.867 nan 8.290 nan 0.000 0.536 209 V N 2.439 122.082 119.914 -0.453 0.000 2.313 209 V HA 0.226 4.349 4.120 0.005 0.000 0.252 209 V C 1.386 177.436 176.094 -0.074 0.000 1.112 209 V CA 0.274 62.507 62.300 -0.111 0.000 0.984 209 V CB -0.085 31.566 31.823 -0.286 0.000 1.157 209 V HN 0.797 nan 8.190 nan 0.000 0.493 210 W N 5.494 126.726 121.300 -0.114 0.000 3.139 210 W HA 0.298 4.961 4.660 0.005 0.000 0.260 210 W C 0.292 176.807 176.519 -0.006 0.000 1.312 210 W CA -0.512 56.785 57.345 -0.080 0.000 1.606 210 W CB 0.206 29.630 29.460 -0.059 0.000 1.118 210 W HN 0.352 nan 8.180 nan 0.000 0.675 211 R N -0.039 120.200 120.500 -0.435 0.000 2.855 211 R HA 0.417 4.760 4.340 0.005 0.000 0.266 211 R C -2.619 173.562 176.300 -0.198 0.000 1.034 211 R CA -2.067 53.784 56.100 -0.415 0.000 0.944 211 R CB 1.327 31.225 30.300 -0.669 0.000 1.219 211 R HN -0.394 nan 8.270 nan 0.000 0.474 212 P HA 0.060 nan 4.420 nan 0.000 0.270 212 P C -0.989 176.261 177.300 -0.084 0.000 1.223 212 P CA -0.216 62.833 63.100 -0.086 0.000 0.785 212 P CB 0.574 32.235 31.700 -0.066 0.000 0.923 213 V N 1.780 121.644 119.914 -0.084 0.000 2.409 213 V HA 0.515 4.638 4.120 0.005 0.000 0.291 213 V C 0.259 176.251 176.094 -0.170 0.000 1.020 213 V CA -0.347 61.835 62.300 -0.197 0.000 0.848 213 V CB 1.316 33.057 31.823 -0.137 0.000 0.990 213 V HN 0.706 nan 8.190 nan 0.000 0.430 214 T N 2.814 117.234 114.554 -0.224 0.000 2.893 214 T HA 0.803 5.156 4.350 0.005 0.000 0.291 214 T C -1.138 173.415 174.700 -0.245 0.000 1.028 214 T CA -0.760 61.232 62.100 -0.179 0.000 0.995 214 T CB 1.990 70.791 68.868 -0.112 0.000 1.051 214 T HN 0.356 nan 8.240 nan 0.000 0.470 215 L N 1.860 122.931 121.223 -0.254 0.000 2.325 215 L HA 0.665 5.008 4.340 0.005 0.000 0.281 215 L C -0.117 176.535 176.870 -0.364 0.000 1.004 215 L CA -0.687 53.927 54.840 -0.378 0.000 0.823 215 L CB 1.483 43.243 42.059 -0.499 0.000 1.236 215 L HN 0.857 nan 8.230 nan 0.000 0.415 216 R N 4.407 124.697 120.500 -0.350 0.000 2.437 216 R HA 0.537 4.880 4.340 0.005 0.000 0.310 216 R C -1.764 174.432 176.300 -0.175 0.000 0.955 216 R CA -0.486 55.519 56.100 -0.157 0.000 0.851 216 R CB 0.861 31.138 30.300 -0.038 0.000 1.161 216 R HN 0.521 nan 8.270 nan 0.000 0.446 217 F N 6.014 126.054 119.950 0.150 0.000 2.402 217 F HA 0.389 4.919 4.527 0.005 0.000 0.355 217 F C -0.436 175.456 175.800 0.154 0.000 1.123 217 F CA -0.612 57.448 58.000 0.099 0.000 1.021 217 F CB 1.030 40.052 39.000 0.037 0.000 1.160 217 F HN 0.469 nan 8.300 nan 0.000 0.451 218 Y N -0.595 119.788 120.300 0.139 0.000 2.655 218 Y HA 0.702 5.255 4.550 0.005 0.000 0.336 218 Y C -1.556 174.381 175.900 0.062 0.000 1.154 218 Y CA -1.544 56.604 58.100 0.080 0.000 1.055 218 Y CB 1.313 39.795 38.460 0.037 0.000 1.295 218 Y HN 0.299 nan 8.280 nan 0.000 0.465 219 D N 2.085 122.587 120.400 0.170 0.000 2.252 219 D HA 0.433 5.076 4.640 0.005 0.000 0.245 219 D C 0.648 177.055 176.300 0.179 0.000 1.009 219 D CA -0.089 53.948 54.000 0.063 0.000 0.870 219 D CB 2.089 42.919 40.800 0.050 0.000 1.251 219 D HN 0.768 nan 8.370 nan 0.000 0.460 220 I N -0.776 119.853 120.570 0.097 0.000 4.624 220 I HA -0.365 3.808 4.170 0.005 0.000 0.049 220 I C 0.472 176.708 176.117 0.199 0.000 0.621 220 I CA 1.577 62.946 61.300 0.114 0.000 0.836 220 I CB -1.896 36.151 38.000 0.079 0.000 0.765 220 I HN 0.638 nan 8.210 nan 0.000 0.159 221 A N 0.208 123.196 122.820 0.280 0.000 2.599 221 A HA 0.768 5.090 4.320 0.005 0.000 0.290 221 A C -0.199 177.358 177.584 -0.046 0.000 1.101 221 A CA 0.410 52.553 52.037 0.176 0.000 0.674 221 A CB 1.578 20.611 19.000 0.056 0.000 1.277 221 A HN 0.657 nan 8.150 nan 0.000 0.419 222 T N -1.203 113.211 114.554 -0.233 0.000 2.908 222 T HA 0.712 5.065 4.350 0.005 0.000 0.290 222 T C -0.415 174.182 174.700 -0.172 0.000 1.034 222 T CA -0.473 61.422 62.100 -0.341 0.000 1.010 222 T CB 0.991 69.534 68.868 -0.542 0.000 1.068 222 T HN 0.535 nan 8.240 nan 0.000 0.481 223 I N 2.893 123.376 120.570 -0.144 0.000 2.347 223 I HA 0.132 4.305 4.170 0.005 0.000 0.294 223 I C 1.190 177.264 176.117 -0.071 0.000 1.090 223 I CA -0.293 60.951 61.300 -0.093 0.000 1.314 223 I CB 0.947 38.895 38.000 -0.087 0.000 1.423 223 I HN 0.783 nan 8.210 nan 0.000 0.503 224 S N 3.409 119.076 115.700 -0.054 0.000 2.414 224 S HA -0.050 4.423 4.470 0.005 0.000 0.227 224 S C 0.285 174.888 174.600 0.006 0.000 1.022 224 S CA 0.606 58.788 58.200 -0.031 0.000 0.958 224 S CB -0.132 63.051 63.200 -0.028 0.000 0.797 224 S HN 0.764 nan 8.310 nan 0.000 0.493 225 D N -1.192 119.232 120.400 0.040 0.000 2.837 225 D HA 0.404 5.047 4.640 0.005 0.000 0.220 225 D C -2.009 174.419 176.300 0.214 0.000 1.236 225 D CA -0.560 53.500 54.000 0.101 0.000 0.838 225 D CB 1.213 42.058 40.800 0.075 0.000 1.647 225 D HN -0.024 nan 8.370 nan 0.000 0.486 226 Y N 3.756 124.134 120.300 0.131 0.000 2.329 226 Y HA 0.502 5.055 4.550 0.005 0.000 0.328 226 Y C -2.242 173.834 175.900 0.293 0.000 0.992 226 Y CA -1.238 56.974 58.100 0.186 0.000 1.151 226 Y CB 0.694 39.226 38.460 0.120 0.000 1.150 226 Y HN 0.387 nan 8.280 nan 0.000 0.450 227 Y N 6.428 126.801 120.300 0.123 0.000 2.328 227 Y HA 0.608 5.161 4.550 0.005 0.000 0.333 227 Y C -1.398 174.386 175.900 -0.194 0.000 0.958 227 Y CA -1.817 56.210 58.100 -0.122 0.000 1.167 227 Y CB 1.230 39.676 38.460 -0.024 0.000 1.151 227 Y HN 0.342 nan 8.280 nan 0.000 0.470 228 V N 8.167 127.799 119.914 -0.469 0.000 2.339 228 V HA 0.370 4.493 4.120 0.005 0.000 0.261 228 V C 0.186 175.850 176.094 -0.716 0.000 1.058 228 V CA -0.576 61.375 62.300 -0.582 0.000 0.897 228 V CB 0.357 31.715 31.823 -0.774 0.000 1.052 228 V HN 0.663 nan 8.190 nan 0.000 0.480 229 R N 4.389 124.412 120.500 -0.794 0.000 2.229 229 R HA 0.334 4.677 4.340 0.005 0.000 0.328 229 R C -0.086 175.994 176.300 -0.366 0.000 1.009 229 R CA -0.477 55.159 56.100 -0.774 0.000 0.864 229 R CB 0.967 30.744 30.300 -0.871 0.000 1.085 229 R HN 0.786 nan 8.270 nan 0.000 0.453 230 Q N 5.042 124.685 119.800 -0.261 0.000 2.307 230 Q HA 0.109 4.452 4.340 0.005 0.000 0.259 230 Q C 0.236 176.171 176.000 -0.109 0.000 0.998 230 Q CA -0.202 55.503 55.803 -0.163 0.000 0.923 230 Q CB 1.135 29.794 28.738 -0.132 0.000 1.196 230 Q HN 0.791 nan 8.270 nan 0.000 0.416 231 L N 2.245 123.417 121.223 -0.085 0.000 2.202 231 L HA 0.119 4.462 4.340 0.005 0.000 0.205 231 L C 0.640 177.489 176.870 -0.035 0.000 1.083 231 L CA 0.422 55.228 54.840 -0.057 0.000 0.790 231 L CB 0.060 42.090 42.059 -0.049 0.000 0.942 231 L HN 0.703 nan 8.230 nan 0.000 0.452 232 S N -0.959 114.723 115.700 -0.030 0.000 2.588 232 S HA 0.635 5.108 4.470 0.005 0.000 0.269 232 S C -1.348 173.246 174.600 -0.011 0.000 1.157 232 S CA -0.811 57.380 58.200 -0.015 0.000 0.824 232 S CB 2.520 65.714 63.200 -0.010 0.000 1.126 232 S HN -0.026 nan 8.310 nan 0.000 0.464 233 L N 1.692 122.917 121.223 0.003 0.000 2.516 233 L HA 0.810 5.153 4.340 0.005 0.000 0.267 233 L C -0.479 176.405 176.870 0.024 0.000 0.957 233 L CA 0.372 55.221 54.840 0.014 0.000 0.860 233 L CB 1.804 43.877 42.059 0.024 0.000 1.265 233 L HN 1.252 nan 8.230 nan 0.000 0.403 234 T N -0.816 113.753 114.554 0.025 0.000 2.864 234 T HA 0.449 4.802 4.350 0.005 0.000 0.289 234 T C 0.348 175.069 174.700 0.035 0.000 1.082 234 T CA -0.548 61.569 62.100 0.028 0.000 1.009 234 T CB 1.238 70.118 68.868 0.021 0.000 1.234 234 T HN 0.452 nan 8.240 nan 0.000 0.526 235 D N 0.366 120.787 120.400 0.035 0.000 2.228 235 D HA -0.069 4.574 4.640 0.005 0.000 0.203 235 D C 1.577 177.899 176.300 0.036 0.000 0.988 235 D CA 1.348 55.370 54.000 0.038 0.000 0.864 235 D CB -0.002 40.816 40.800 0.030 0.000 0.928 235 D HN 0.670 nan 8.370 nan 0.000 0.469 236 E N -0.499 119.718 120.200 0.028 0.000 2.190 236 E HA 0.087 4.440 4.350 0.005 0.000 0.191 236 E C 0.250 176.863 176.600 0.023 0.000 0.978 236 E CA 0.345 56.759 56.400 0.024 0.000 0.839 236 E CB 0.297 30.008 29.700 0.018 0.000 0.787 236 E HN 0.045 nan 8.360 nan 0.000 0.473 237 N N -1.018 117.694 118.700 0.021 0.000 2.516 237 N HA 0.479 5.222 4.740 0.005 0.000 0.268 237 N C -2.022 173.492 175.510 0.007 0.000 1.096 237 N CA -0.312 52.746 53.050 0.013 0.000 0.954 237 N CB 1.568 40.060 38.487 0.008 0.000 1.676 237 N HN -0.018 nan 8.380 nan 0.000 0.490 238 A N 2.616 125.433 122.820 -0.004 0.000 2.303 238 A HA 0.743 5.066 4.320 0.005 0.000 0.320 238 A C -0.533 177.041 177.584 -0.016 0.000 1.192 238 A CA -0.546 51.482 52.037 -0.015 0.000 0.821 238 A CB 0.552 19.529 19.000 -0.038 0.000 1.188 238 A HN 0.631 nan 8.150 nan 0.000 0.492 239 R N 2.297 122.786 120.500 -0.018 0.000 2.295 239 R HA 0.601 4.944 4.340 0.005 0.000 0.324 239 R C -1.148 175.134 176.300 -0.030 0.000 0.968 239 R CA -0.601 55.489 56.100 -0.017 0.000 0.837 239 R CB 1.316 31.606 30.300 -0.016 0.000 1.133 239 R HN 0.489 nan 8.270 nan 0.000 0.450 240 L N 1.054 122.269 121.223 -0.013 0.000 2.341 240 L HA 0.488 4.831 4.340 0.005 0.000 0.267 240 L C -0.006 176.849 176.870 -0.024 0.000 1.009 240 L CA -0.517 54.305 54.840 -0.030 0.000 0.819 240 L CB 1.843 43.927 42.059 0.042 0.000 1.323 240 L HN 0.538 nan 8.230 nan 0.000 0.425 241 S N 1.584 117.237 115.700 -0.080 0.000 2.596 241 S HA 0.478 4.950 4.470 0.005 0.000 0.318 241 S C -0.509 174.056 174.600 -0.059 0.000 1.097 241 S CA -0.636 57.529 58.200 -0.059 0.000 1.080 241 S CB 0.171 63.321 63.200 -0.082 0.000 0.991 241 S HN 0.647 nan 8.310 nan 0.000 0.471 242 N N 3.941 122.678 118.700 0.062 0.000 2.415 242 N HA 0.232 4.975 4.740 0.005 0.000 0.246 242 N C -0.939 174.673 175.510 0.171 0.000 1.078 242 N CA -0.274 52.895 53.050 0.198 0.000 0.942 242 N CB 0.830 39.496 38.487 0.298 0.000 1.140 242 N HN 0.600 nan 8.380 nan 0.000 0.501 243 E N 2.484 122.801 120.200 0.195 0.000 2.092 243 E HA 0.326 4.679 4.350 0.005 0.000 0.271 243 E C -0.756 176.008 176.600 0.273 0.000 0.919 243 E CA -0.491 56.025 56.400 0.194 0.000 0.760 243 E CB 1.391 31.196 29.700 0.175 0.000 1.106 243 E HN 0.320 nan 8.360 nan 0.000 0.408 244 L N 3.907 125.233 121.223 0.172 0.000 2.334 244 L HA 0.564 4.907 4.340 0.005 0.000 0.276 244 L C -0.392 176.517 176.870 0.065 0.000 1.014 244 L CA -0.750 54.159 54.840 0.115 0.000 0.815 244 L CB 1.545 43.599 42.059 -0.007 0.000 1.268 244 L HN 0.430 nan 8.230 nan 0.000 0.428 245 I N 2.915 123.501 120.570 0.027 0.000 2.389 245 I HA 0.406 4.579 4.170 0.005 0.000 0.288 245 I C -0.820 175.243 176.117 -0.090 0.000 0.999 245 I CA -0.699 60.544 61.300 -0.094 0.000 1.129 245 I CB 1.939 39.897 38.000 -0.069 0.000 1.288 245 I HN 0.177 nan 8.210 nan 0.000 0.444 246 V N 5.336 125.176 119.914 -0.123 0.000 2.448 246 V HA 0.339 4.462 4.120 0.005 0.000 0.295 246 V C -0.297 175.750 176.094 -0.080 0.000 1.025 246 V CA -0.699 61.549 62.300 -0.087 0.000 0.859 246 V CB 1.907 33.690 31.823 -0.067 0.000 0.988 246 V HN 0.678 nan 8.190 nan 0.000 0.431 247 N N 3.975 122.641 118.700 -0.057 0.000 2.469 247 N HA 0.251 4.994 4.740 0.005 0.000 0.253 247 N C -0.548 174.975 175.510 0.023 0.000 0.970 247 N CA -0.288 52.747 53.050 -0.024 0.000 0.940 247 N CB 1.364 39.841 38.487 -0.017 0.000 1.128 247 N HN 0.786 nan 8.380 nan 0.000 0.503 248 Q N 3.561 123.381 119.800 0.032 0.000 2.256 248 Q HA 0.326 4.669 4.340 0.005 0.000 0.254 248 Q C 0.068 176.115 176.000 0.078 0.000 0.916 248 Q CA -0.320 55.521 55.803 0.063 0.000 0.932 248 Q CB 1.006 29.767 28.738 0.038 0.000 1.207 248 Q HN 0.724 nan 8.270 nan 0.000 0.426 249 I N 4.369 125.007 120.570 0.113 0.000 3.956 249 I HA 0.077 4.250 4.170 0.005 0.000 0.333 249 I C -0.263 175.877 176.117 0.039 0.000 1.302 249 I CA 0.054 61.408 61.300 0.091 0.000 1.122 249 I CB 1.131 39.211 38.000 0.133 0.000 1.013 249 I HN 0.518 nan 8.210 nan 0.000 0.405 250 V N -1.792 118.143 119.914 0.034 0.000 2.834 250 V HA 0.568 4.690 4.120 0.005 0.000 0.313 250 V C -1.787 174.318 176.094 0.018 0.000 1.060 250 V CA -1.339 60.971 62.300 0.016 0.000 0.989 250 V CB 0.705 32.535 31.823 0.012 0.000 1.041 250 V HN -0.046 nan 8.190 nan 0.000 0.459 251 P HA 0.073 nan 4.420 nan 0.000 0.231 251 P C 0.151 177.458 177.300 0.013 0.000 1.168 251 P CA 0.604 63.712 63.100 0.014 0.000 0.779 251 P CB 0.294 32.000 31.700 0.011 0.000 0.844 252 Q N 0.435 120.242 119.800 0.012 0.000 2.256 252 Q HA 0.324 4.667 4.340 0.005 0.000 0.232 252 Q C -0.039 175.969 176.000 0.013 0.000 0.965 252 Q CA -0.197 55.612 55.803 0.011 0.000 0.908 252 Q CB 0.474 29.218 28.738 0.010 0.000 1.209 252 Q HN -0.089 nan 8.270 nan 0.000 0.489 253 K N 1.022 121.429 120.400 0.012 0.000 2.276 253 K HA 0.346 4.669 4.320 0.005 0.000 0.283 253 K C -0.736 175.870 176.600 0.011 0.000 1.044 253 K CA -0.050 56.245 56.287 0.012 0.000 0.944 253 K CB 0.664 33.170 32.500 0.011 0.000 1.012 253 K HN 0.403 nan 8.250 nan 0.000 0.472 254 I N 5.576 126.154 120.570 0.012 0.000 2.448 254 I HA 0.245 4.418 4.170 0.005 0.000 0.281 254 I C -2.423 173.699 176.117 0.009 0.000 1.027 254 I CA -2.961 58.346 61.300 0.012 0.000 1.111 254 I CB 1.290 39.299 38.000 0.016 0.000 1.236 254 I HN 0.291 nan 8.210 nan 0.000 0.452 255 P HA 0.224 nan 4.420 nan 0.000 0.264 255 P C -0.526 176.777 177.300 0.004 0.000 1.193 255 P CA 0.197 63.300 63.100 0.005 0.000 0.763 255 P CB 0.872 32.575 31.700 0.004 0.000 0.810 256 A N 2.388 125.208 122.820 0.001 0.000 2.587 256 A HA 0.585 4.908 4.320 0.005 0.000 0.293 256 A C -1.173 176.407 177.584 -0.007 0.000 1.087 256 A CA -0.580 51.455 52.037 -0.003 0.000 0.692 256 A CB 1.431 20.428 19.000 -0.004 0.000 1.291 256 A HN 0.478 nan 8.150 nan 0.000 0.407 257 E N 1.201 121.395 120.200 -0.010 0.000 2.165 257 E HA 0.560 4.912 4.350 0.005 0.000 0.266 257 E C -1.440 175.146 176.600 -0.024 0.000 0.889 257 E CA -0.536 55.856 56.400 -0.014 0.000 0.756 257 E CB 1.526 31.219 29.700 -0.013 0.000 1.131 257 E HN 0.440 nan 8.360 nan 0.000 0.411 258 V N 5.262 125.159 119.914 -0.028 0.000 2.432 258 V HA 0.418 4.541 4.120 0.005 0.000 0.275 258 V C 0.079 176.146 176.094 -0.044 0.000 1.043 258 V CA -0.366 61.907 62.300 -0.044 0.000 0.925 258 V CB 0.962 32.757 31.823 -0.047 0.000 0.985 258 V HN 0.666 nan 8.190 nan 0.000 0.466 259 R N 3.334 123.799 120.500 -0.058 0.000 2.621 259 R HA 0.784 5.127 4.340 0.005 0.000 0.292 259 R C -1.599 174.661 176.300 -0.067 0.000 0.969 259 R CA -0.737 55.333 56.100 -0.050 0.000 0.887 259 R CB 2.466 32.741 30.300 -0.042 0.000 1.180 259 R HN 0.485 nan 8.270 nan 0.000 0.450 260 V N 2.721 122.606 119.914 -0.047 0.000 2.487 260 V HA 0.334 4.457 4.120 0.005 0.000 0.298 260 V C -0.511 175.555 176.094 -0.046 0.000 1.028 260 V CA -0.881 61.399 62.300 -0.033 0.000 0.860 260 V CB 1.760 33.600 31.823 0.029 0.000 0.991 260 V HN 0.718 nan 8.190 nan 0.000 0.427 261 N N 3.757 122.425 118.700 -0.053 0.000 2.372 261 N HA 0.512 5.255 4.740 0.005 0.000 0.285 261 N C -1.489 173.921 175.510 -0.166 0.000 1.008 261 N CA -0.225 52.775 53.050 -0.083 0.000 0.880 261 N CB 2.252 40.710 38.487 -0.048 0.000 1.239 261 N HN 0.388 nan 8.380 nan 0.000 0.484 262 V N 2.298 122.063 119.914 -0.249 0.000 2.384 262 V HA 0.460 4.583 4.120 0.005 0.000 0.287 262 V C -0.072 175.939 176.094 -0.138 0.000 1.020 262 V CA -0.452 61.604 62.300 -0.407 0.000 0.850 262 V CB 1.214 32.635 31.823 -0.670 0.000 0.987 262 V HN 0.658 nan 8.190 nan 0.000 0.436 263 S N 4.371 120.045 115.700 -0.044 0.000 2.632 263 S HA 0.833 5.306 4.470 0.005 0.000 0.289 263 S C -1.361 173.267 174.600 0.047 0.000 1.115 263 S CA -0.556 57.655 58.200 0.019 0.000 0.889 263 S CB 2.094 65.296 63.200 0.003 0.000 1.116 263 S HN 0.486 nan 8.310 nan 0.000 0.486 264 L N 2.977 124.188 121.223 -0.020 0.000 2.439 264 L HA 0.548 4.891 4.340 0.005 0.000 0.270 264 L C -0.262 176.565 176.870 -0.071 0.000 0.972 264 L CA 0.061 54.828 54.840 -0.121 0.000 0.836 264 L CB 0.742 42.655 42.059 -0.242 0.000 1.255 264 L HN 0.732 nan 8.230 nan 0.000 0.404 265 N N 4.077 122.743 118.700 -0.057 0.000 2.708 265 N HA -0.225 4.518 4.740 0.005 0.000 0.249 265 N C 0.959 176.458 175.510 -0.018 0.000 1.097 265 N CA 1.294 54.324 53.050 -0.033 0.000 0.710 265 N CB -0.903 37.560 38.487 -0.041 0.000 1.032 265 N HN 1.209 nan 8.380 nan 0.000 0.551 266 G N -2.319 106.475 108.800 -0.011 0.000 2.176 266 G HA2 -0.288 3.675 3.960 0.005 0.000 0.253 266 G HA3 -0.288 3.675 3.960 0.005 0.000 0.253 266 G C 0.096 174.992 174.900 -0.006 0.000 0.979 266 G CA 0.639 45.737 45.100 -0.004 0.000 0.641 266 G HN 0.470 nan 8.290 nan 0.000 0.530 267 T N 1.931 116.480 114.554 -0.009 0.000 2.779 267 T HA 0.550 4.903 4.350 0.005 0.000 0.280 267 T C 0.391 175.089 174.700 -0.004 0.000 0.987 267 T CA 0.138 62.233 62.100 -0.007 0.000 0.966 267 T CB 1.558 70.422 68.868 -0.008 0.000 0.933 267 T HN 0.218 nan 8.240 nan 0.000 0.442 268 T N 3.043 117.594 114.554 -0.006 0.000 2.908 268 T HA 0.100 4.453 4.350 0.005 0.000 0.301 268 T C 1.386 176.086 174.700 0.000 0.000 1.019 268 T CA -0.181 61.913 62.100 -0.010 0.000 1.152 268 T CB 0.611 69.469 68.868 -0.016 0.000 0.966 268 T HN 0.363 nan 8.240 nan 0.000 0.540 269 V N 2.258 122.175 119.914 0.005 0.000 2.788 269 V HA 0.231 4.354 4.120 0.005 0.000 0.241 269 V C 1.169 177.258 176.094 -0.008 0.000 1.083 269 V CA 0.705 63.022 62.300 0.027 0.000 1.103 269 V CB 0.793 32.681 31.823 0.108 0.000 0.800 269 V HN 0.939 nan 8.190 nan 0.000 0.476 270 T N -0.593 113.932 114.554 -0.048 0.000 2.889 270 T HA 0.513 4.865 4.350 0.005 0.000 0.315 270 T C -1.937 172.718 174.700 -0.076 0.000 1.291 270 T CA -0.436 61.629 62.100 -0.059 0.000 1.028 270 T CB 2.313 71.145 68.868 -0.060 0.000 1.235 270 T HN 0.316 nan 8.240 nan 0.000 0.491 271 E N 1.457 121.626 120.200 -0.053 0.000 2.308 271 E HA 0.644 4.996 4.350 0.005 0.000 0.275 271 E C -1.274 175.305 176.600 -0.034 0.000 0.890 271 E CA -0.847 55.523 56.400 -0.049 0.000 0.754 271 E CB 1.995 31.673 29.700 -0.037 0.000 1.207 271 E HN 0.646 nan 8.360 nan 0.000 0.426 272 V N 0.485 120.381 119.914 -0.030 0.000 3.040 272 V HA 0.808 4.931 4.120 0.005 0.000 0.312 272 V C -1.093 174.990 176.094 -0.018 0.000 1.115 272 V CA -0.842 61.447 62.300 -0.018 0.000 0.998 272 V CB 1.802 33.619 31.823 -0.009 0.000 1.042 272 V HN 0.766 nan 8.190 nan 0.000 0.433 273 K N 1.618 122.010 120.400 -0.014 0.000 2.533 273 K HA 0.782 5.105 4.320 0.005 0.000 0.272 273 K C -1.471 175.123 176.600 -0.011 0.000 0.985 273 K CA -0.878 55.400 56.287 -0.016 0.000 0.876 273 K CB 2.654 35.144 32.500 -0.017 0.000 1.452 273 K HN 0.836 nan 8.250 nan 0.000 0.439 274 Q N 1.302 121.096 119.800 -0.012 0.000 2.281 274 Q HA 0.145 4.488 4.340 0.005 0.000 0.263 274 Q C -1.352 174.644 176.000 -0.007 0.000 0.989 274 Q CA -0.702 55.097 55.803 -0.007 0.000 0.852 274 Q CB 2.135 30.871 28.738 -0.005 0.000 1.337 274 Q HN 0.552 nan 8.270 nan 0.000 0.418 275 Q N 1.893 121.691 119.800 -0.004 0.000 2.288 275 Q HA 0.439 4.782 4.340 0.005 0.000 0.254 275 Q C -0.120 175.879 176.000 -0.001 0.000 0.932 275 Q CA -0.098 55.703 55.803 -0.003 0.000 0.902 275 Q CB 1.535 30.272 28.738 -0.002 0.000 1.203 275 Q HN 0.534 nan 8.270 nan 0.000 0.415 276 V N -1.135 118.778 119.914 -0.001 0.000 3.159 276 V HA 0.732 4.855 4.120 0.005 0.000 0.308 276 V C -0.514 175.582 176.094 0.003 0.000 1.190 276 V CA -0.895 61.407 62.300 0.003 0.000 1.037 276 V CB 2.349 34.174 31.823 0.002 0.000 1.060 276 V HN 0.632 nan 8.190 nan 0.000 0.437 277 T N 3.545 118.103 114.554 0.006 0.000 2.809 277 T HA 0.578 4.931 4.350 0.005 0.000 0.296 277 T C -0.250 174.456 174.700 0.009 0.000 1.015 277 T CA -0.241 61.863 62.100 0.007 0.000 0.954 277 T CB 0.621 69.494 68.868 0.008 0.000 0.950 277 T HN 0.656 nan 8.240 nan 0.000 0.450 278 L N 4.044 125.271 121.223 0.008 0.000 2.410 278 L HA 0.214 4.557 4.340 0.005 0.000 0.273 278 L C 0.767 177.645 176.870 0.012 0.000 1.144 278 L CA -0.562 54.282 54.840 0.008 0.000 0.863 278 L CB 0.320 42.383 42.059 0.007 0.000 1.140 278 L HN 0.397 nan 8.230 nan 0.000 0.463 279 Q N 4.020 123.828 119.800 0.013 0.000 2.260 279 Q HA 0.365 4.708 4.340 0.005 0.000 0.242 279 Q C -2.226 173.785 176.000 0.018 0.000 0.932 279 Q CA -2.285 53.528 55.803 0.016 0.000 0.891 279 Q CB 0.627 29.377 28.738 0.020 0.000 1.222 279 Q HN 0.297 nan 8.270 nan 0.000 0.453 280 P HA 0.006 nan 4.420 nan 0.000 0.263 280 P C 0.425 177.738 177.300 0.023 0.000 1.175 280 P CA 1.427 64.541 63.100 0.023 0.000 0.761 280 P CB 0.290 32.004 31.700 0.022 0.000 0.794 281 G N 2.900 111.715 108.800 0.025 0.000 2.542 281 G HA2 -0.201 3.762 3.960 0.005 0.000 0.235 281 G HA3 -0.201 3.762 3.960 0.005 0.000 0.235 281 G C -0.724 174.177 174.900 0.000 0.000 1.286 281 G CA -0.761 44.352 45.100 0.020 0.000 0.904 281 G HN 0.493 nan 8.290 nan 0.000 0.577 282 I N 2.516 123.080 120.570 -0.011 0.000 2.496 282 I HA 0.272 4.445 4.170 0.005 0.000 0.285 282 I C 0.530 176.590 176.117 -0.094 0.000 1.080 282 I CA -0.224 61.032 61.300 -0.074 0.000 1.404 282 I CB 0.295 38.252 38.000 -0.071 0.000 1.403 282 I HN 0.459 nan 8.210 nan 0.000 0.539 283 N N 5.744 124.343 118.700 -0.168 0.000 2.258 283 N HA 0.339 5.082 4.740 0.005 0.000 0.299 283 N C -0.796 174.559 175.510 -0.259 0.000 1.047 283 N CA -0.606 52.372 53.050 -0.121 0.000 0.814 283 N CB 2.069 40.527 38.487 -0.049 0.000 1.413 283 N HN 0.501 nan 8.380 nan 0.000 0.478 284 H N 2.062 121.145 119.070 0.022 0.000 2.504 284 H HA 0.436 4.995 4.556 0.005 0.000 0.322 284 H C -0.458 174.883 175.328 0.022 0.000 1.055 284 H CA -0.222 55.842 56.048 0.028 0.000 1.231 284 H CB 1.670 31.449 29.762 0.028 0.000 1.417 284 H HN 0.399 nan 8.280 nan 0.000 0.472 285 I N 2.225 122.857 120.570 0.104 0.000 2.465 285 I HA 0.160 4.333 4.170 0.005 0.000 0.291 285 I C -0.033 176.128 176.117 0.073 0.000 1.014 285 I CA -0.152 61.186 61.300 0.064 0.000 1.093 285 I CB 2.143 40.153 38.000 0.018 0.000 1.267 285 I HN 0.420 nan 8.210 nan 0.000 0.431 286 T N 7.053 121.641 114.554 0.057 0.000 2.847 286 T HA 0.641 4.994 4.350 0.005 0.000 0.291 286 T C -0.807 173.914 174.700 0.035 0.000 0.998 286 T CA -0.402 61.730 62.100 0.052 0.000 0.967 286 T CB 0.776 69.670 68.868 0.043 0.000 0.954 286 T HN 0.082 nan 8.240 nan 0.000 0.441 287 L N 5.986 127.234 121.223 0.041 0.000 2.343 287 L HA 0.505 4.848 4.340 0.005 0.000 0.278 287 L C -2.391 174.503 176.870 0.040 0.000 0.996 287 L CA -2.097 52.763 54.840 0.032 0.000 0.831 287 L CB 1.318 43.392 42.059 0.026 0.000 1.232 287 L HN 0.327 nan 8.230 nan 0.000 0.413 288 P HA 0.525 nan 4.420 nan 0.000 0.275 288 P C -1.098 176.220 177.300 0.030 0.000 1.228 288 P CA -0.426 62.687 63.100 0.022 0.000 0.786 288 P CB 1.376 33.081 31.700 0.008 0.000 0.927 289 A N 1.600 124.443 122.820 0.039 0.000 2.572 289 A HA 0.633 4.956 4.320 0.005 0.000 0.295 289 A C -1.156 176.440 177.584 0.021 0.000 1.072 289 A CA -0.586 51.470 52.037 0.030 0.000 0.691 289 A CB 1.452 20.483 19.000 0.051 0.000 1.291 289 A HN 0.523 nan 8.150 nan 0.000 0.404 290 E N 0.072 120.271 120.200 -0.002 0.000 2.312 290 E HA 0.609 4.962 4.350 0.005 0.000 0.267 290 E C -1.536 175.047 176.600 -0.028 0.000 0.894 290 E CA -0.998 55.397 56.400 -0.009 0.000 0.773 290 E CB 2.665 32.361 29.700 -0.006 0.000 1.241 290 E HN 0.301 nan 8.360 nan 0.000 0.432 291 V N 2.002 121.895 119.914 -0.035 0.000 2.380 291 V HA 0.196 4.319 4.120 0.005 0.000 0.286 291 V C 0.060 176.149 176.094 -0.009 0.000 1.015 291 V CA -0.778 61.493 62.300 -0.047 0.000 0.834 291 V CB 1.335 33.069 31.823 -0.148 0.000 1.009 291 V HN 0.852 nan 8.190 nan 0.000 0.428 292 T N 1.280 115.841 114.554 0.011 0.000 2.913 292 T HA 0.287 4.640 4.350 0.005 0.000 0.297 292 T C 0.462 175.189 174.700 0.045 0.000 1.029 292 T CA -0.276 61.838 62.100 0.023 0.000 1.104 292 T CB 0.020 68.900 68.868 0.020 0.000 0.964 292 T HN 0.772 nan 8.240 nan 0.000 0.532 293 N N 1.066 119.793 118.700 0.044 0.000 2.686 293 N HA -0.125 4.618 4.740 0.005 0.000 0.261 293 N C -2.547 173.019 175.510 0.093 0.000 1.001 293 N CA 0.229 53.314 53.050 0.059 0.000 0.764 293 N CB -1.084 37.434 38.487 0.051 0.000 0.898 293 N HN 0.637 nan 8.380 nan 0.000 0.544 294 P HA 0.044 nan 4.420 nan 0.000 0.268 294 P C -0.140 177.285 177.300 0.208 0.000 1.205 294 P CA -0.071 63.124 63.100 0.158 0.000 0.771 294 P CB 0.903 32.652 31.700 0.082 0.000 0.858 295 V N 4.964 125.076 119.914 0.330 0.000 2.368 295 V HA 0.187 4.310 4.120 0.005 0.000 0.266 295 V C 1.241 177.508 176.094 0.290 0.000 1.045 295 V CA -0.334 62.108 62.300 0.236 0.000 0.899 295 V CB -0.218 31.690 31.823 0.143 0.000 1.006 295 V HN 0.468 nan 8.190 nan 0.000 0.470 296 R N 3.045 123.673 120.500 0.213 0.000 2.543 296 R HA 0.126 4.469 4.340 0.005 0.000 0.277 296 R C -0.383 176.081 176.300 0.273 0.000 1.074 296 R CA -0.420 55.828 56.100 0.246 0.000 1.076 296 R CB 0.904 31.320 30.300 0.194 0.000 0.993 296 R HN 0.766 nan 8.270 nan 0.000 0.459 297 W N 4.974 126.356 121.300 0.137 0.000 2.368 297 W HA 0.082 4.745 4.660 0.004 0.000 0.316 297 W C -0.778 175.811 176.519 0.118 0.000 1.375 297 W CA -0.054 57.359 57.345 0.114 0.000 1.261 297 W CB 0.565 30.087 29.460 0.104 0.000 1.298 297 W HN 0.254 nan 8.180 nan 0.000 0.539 298 M N 9.321 128.723 119.600 -0.330 0.000 2.528 298 M HA 0.369 4.852 4.480 0.005 0.000 0.321 298 M C -2.041 173.783 176.300 -0.793 0.000 1.153 298 M CA -2.469 52.666 55.300 -0.275 0.000 0.951 298 M CB 1.720 34.304 32.600 -0.027 0.000 1.705 298 M HN 0.270 nan 8.290 nan 0.000 0.451 299 P HA 0.092 nan 4.420 nan 0.000 0.274 299 P C -0.575 176.518 177.300 -0.346 0.000 1.246 299 P CA -0.436 62.346 63.100 -0.530 0.000 0.795 299 P CB 0.332 31.845 31.700 -0.312 0.000 1.006 300 N N 0.347 118.873 118.700 -0.290 0.000 2.365 300 N HA 0.113 4.856 4.740 0.005 0.000 0.265 300 N C 1.424 176.835 175.510 -0.164 0.000 1.288 300 N CA 2.184 55.125 53.050 -0.182 0.000 0.869 300 N CB -0.699 37.712 38.487 -0.126 0.000 1.071 300 N HN 0.758 nan 8.380 nan 0.000 0.480 301 G N 2.671 111.434 108.800 -0.061 0.000 2.284 301 G HA2 -0.226 3.737 3.960 0.005 0.000 0.216 301 G HA3 -0.226 3.737 3.960 0.005 0.000 0.216 301 G C 0.383 175.415 174.900 0.221 0.000 1.009 301 G CA 0.104 45.217 45.100 0.021 0.000 0.625 301 G HN 0.554 nan 8.290 nan 0.000 0.501 302 W N 1.905 123.166 121.300 -0.065 0.000 3.008 302 W HA 0.608 5.273 4.660 0.008 0.000 0.355 302 W C 1.213 177.691 176.519 -0.069 0.000 1.095 302 W CA 0.424 57.739 57.345 -0.051 0.000 1.738 302 W CB 0.357 29.792 29.460 -0.040 0.000 1.091 302 W HN 1.096 nan 8.180 nan 0.000 0.574 303 G N -0.437 108.427 108.800 0.107 0.000 2.334 303 G HA2 0.079 4.042 3.960 0.005 0.000 0.249 303 G HA3 0.079 4.042 3.960 0.005 0.000 0.249 303 G C -0.933 173.931 174.900 -0.060 0.000 1.327 303 G CA -0.886 44.227 45.100 0.022 0.000 0.979 303 G HN -0.270 nan 8.290 nan 0.000 0.471 304 T N 3.059 117.568 114.554 -0.075 0.000 2.856 304 T HA 0.578 4.931 4.350 0.005 0.000 0.292 304 T C -2.270 172.294 174.700 -0.226 0.000 0.980 304 T CA -0.736 61.298 62.100 -0.110 0.000 1.091 304 T CB 1.966 70.801 68.868 -0.056 0.000 0.936 304 T HN 0.432 nan 8.240 nan 0.000 0.503 305 P HA 0.178 nan 4.420 nan 0.000 0.219 305 P C -0.381 176.865 177.300 -0.089 0.000 1.832 305 P CA -0.463 62.297 63.100 -0.566 0.000 1.014 305 P CB -0.731 30.695 31.700 -0.457 0.000 1.939 306 T N 2.989 117.554 114.554 0.019 0.000 2.867 306 T HA 0.175 4.528 4.350 0.005 0.000 0.297 306 T C 0.434 175.309 174.700 0.292 0.000 0.989 306 T CA 0.572 62.743 62.100 0.118 0.000 1.159 306 T CB 0.133 69.049 68.868 0.080 0.000 0.928 306 T HN 0.185 nan 8.240 nan 0.000 0.538 307 L N 3.725 125.055 121.223 0.178 0.000 2.349 307 L HA 0.460 4.803 4.340 0.005 0.000 0.278 307 L C -0.545 176.405 176.870 0.134 0.000 0.996 307 L CA -1.086 53.894 54.840 0.233 0.000 0.825 307 L CB 1.230 43.412 42.059 0.205 0.000 1.243 307 L HN 0.633 nan 8.230 nan 0.000 0.412 308 Y N 1.154 121.577 120.300 0.204 0.000 2.326 308 Y HA 0.137 4.690 4.550 0.004 0.000 0.333 308 Y C 0.407 176.462 175.900 0.259 0.000 1.240 308 Y CA -0.229 58.008 58.100 0.229 0.000 1.365 308 Y CB 0.811 39.490 38.460 0.366 0.000 1.289 308 Y HN 0.446 nan 8.280 nan 0.000 0.548 309 D N 2.628 123.227 120.400 0.332 0.000 2.329 309 D HA 0.186 4.829 4.640 0.005 0.000 0.232 309 D C -1.259 175.214 176.300 0.288 0.000 1.088 309 D CA -0.098 54.071 54.000 0.281 0.000 0.835 309 D CB 0.825 41.709 40.800 0.141 0.000 1.078 309 D HN 0.209 nan 8.370 nan 0.000 0.495 310 F N 1.127 121.161 119.950 0.141 0.000 2.388 310 F HA 0.202 4.732 4.527 0.004 0.000 0.358 310 F C 0.825 176.757 175.800 0.221 0.000 1.122 310 F CA -0.652 57.453 58.000 0.175 0.000 1.056 310 F CB 1.782 40.883 39.000 0.169 0.000 1.155 310 F HN 0.021 nan 8.300 nan 0.000 0.461 311 S N 3.051 118.906 115.700 0.259 0.000 2.498 311 S HA 0.854 5.327 4.470 0.005 0.000 0.317 311 S C -0.671 173.944 174.600 0.025 0.000 1.090 311 S CA -0.484 57.802 58.200 0.144 0.000 1.089 311 S CB 0.678 63.909 63.200 0.052 0.000 0.997 311 S HN 0.745 nan 8.310 nan 0.000 0.470 312 A N 4.655 127.380 122.820 -0.158 0.000 2.304 312 A HA 0.729 5.052 4.320 0.005 0.000 0.323 312 A C -0.526 176.928 177.584 -0.216 0.000 1.195 312 A CA -0.637 51.188 52.037 -0.354 0.000 0.826 312 A CB 0.828 19.259 19.000 -0.948 0.000 1.184 312 A HN 0.840 nan 8.150 nan 0.000 0.496 313 Q N 1.537 121.247 119.800 -0.150 0.000 2.375 313 Q HA 0.508 4.851 4.340 0.005 0.000 0.271 313 Q C -1.149 174.798 176.000 -0.088 0.000 1.074 313 Q CA -0.827 54.917 55.803 -0.098 0.000 0.808 313 Q CB 2.518 31.219 28.738 -0.061 0.000 1.327 313 Q HN 0.627 nan 8.270 nan 0.000 0.441 314 I N 1.775 122.304 120.570 -0.069 0.000 2.312 314 I HA 0.510 4.683 4.170 0.005 0.000 0.290 314 I C -0.279 175.823 176.117 -0.025 0.000 1.008 314 I CA -0.493 60.780 61.300 -0.046 0.000 1.226 314 I CB 0.675 38.651 38.000 -0.040 0.000 1.371 314 I HN 0.599 nan 8.210 nan 0.000 0.468 315 A N 6.207 129.015 122.820 -0.020 0.000 2.287 315 A HA 0.579 4.902 4.320 0.005 0.000 0.317 315 A C -0.579 177.003 177.584 -0.004 0.000 1.220 315 A CA -0.353 51.678 52.037 -0.010 0.000 0.835 315 A CB 0.733 19.726 19.000 -0.013 0.000 1.180 315 A HN 0.769 nan 8.150 nan 0.000 0.500 316 C N 3.367 122.669 119.300 0.003 0.000 2.250 316 C HA 0.713 5.176 4.460 0.005 0.000 0.319 316 C C 1.386 176.379 174.990 0.005 0.000 1.124 316 C CA 0.411 59.433 59.018 0.006 0.000 1.527 316 C CB -0.753 26.995 27.740 0.013 0.000 2.001 316 C HN 1.727 nan 8.230 nan 0.000 0.435 317 G N 4.120 112.922 108.800 0.003 0.000 2.565 317 G HA2 -0.357 3.606 3.960 0.005 0.000 0.295 317 G HA3 -0.357 3.606 3.960 0.005 0.000 0.295 317 G C 0.687 175.588 174.900 0.001 0.000 1.165 317 G CA 0.932 46.033 45.100 0.002 0.000 0.977 317 G HN 0.654 nan 8.290 nan 0.000 0.546 318 D N 1.057 121.458 120.400 0.002 0.000 2.149 318 D HA 0.070 4.713 4.640 0.005 0.000 0.201 318 D C 1.402 177.704 176.300 0.003 0.000 0.972 318 D CA 1.556 55.557 54.000 0.002 0.000 0.835 318 D CB -0.414 40.387 40.800 0.003 0.000 0.966 318 D HN 1.026 nan 8.370 nan 0.000 0.476 319 R N 0.385 120.889 120.500 0.006 0.000 2.390 319 R HA 0.400 4.742 4.340 0.005 0.000 0.291 319 R C -0.195 176.110 176.300 0.008 0.000 1.070 319 R CA -0.744 55.362 56.100 0.009 0.000 1.014 319 R CB 0.711 31.020 30.300 0.015 0.000 1.007 319 R HN 0.082 nan 8.270 nan 0.000 0.466 320 I N 5.080 125.654 120.570 0.007 0.000 2.294 320 I HA -0.030 4.143 4.170 0.005 0.000 0.295 320 I C 1.594 177.718 176.117 0.013 0.000 1.098 320 I CA -0.337 60.964 61.300 0.002 0.000 1.277 320 I CB 1.035 39.032 38.000 -0.005 0.000 1.434 320 I HN 0.738 nan 8.210 nan 0.000 0.498 321 V N 3.652 123.576 119.914 0.018 0.000 2.951 321 V HA 0.414 4.537 4.120 0.005 0.000 0.255 321 V C 0.820 176.934 176.094 0.034 0.000 1.088 321 V CA 0.689 63.015 62.300 0.043 0.000 1.109 321 V CB -0.103 31.756 31.823 0.061 0.000 0.724 321 V HN 0.702 nan 8.190 nan 0.000 0.471 322 A N -0.172 122.644 122.820 -0.006 0.000 2.517 322 A HA 0.771 5.094 4.320 0.005 0.000 0.297 322 A C -0.963 176.587 177.584 -0.057 0.000 1.050 322 A CA -0.455 51.558 52.037 -0.041 0.000 0.694 322 A CB 1.965 20.923 19.000 -0.070 0.000 1.277 322 A HN 0.289 nan 8.150 nan 0.000 0.400 323 E N 0.949 121.112 120.200 -0.062 0.000 2.356 323 E HA 0.603 4.956 4.350 0.005 0.000 0.275 323 E C -1.780 174.774 176.600 -0.076 0.000 0.904 323 E CA -0.351 56.006 56.400 -0.071 0.000 0.757 323 E CB 2.278 31.951 29.700 -0.045 0.000 1.232 323 E HN 0.698 nan 8.360 nan 0.000 0.442 324 Q N 1.220 120.966 119.800 -0.090 0.000 2.309 324 Q HA 0.512 4.855 4.340 0.005 0.000 0.273 324 Q C -1.920 174.067 176.000 -0.022 0.000 1.040 324 Q CA -0.406 55.354 55.803 -0.072 0.000 0.834 324 Q CB 2.068 30.771 28.738 -0.059 0.000 1.345 324 Q HN 0.338 nan 8.270 nan 0.000 0.414 325 S N 2.653 118.308 115.700 -0.074 0.000 2.566 325 S HA 0.717 5.190 4.470 0.005 0.000 0.298 325 S C -1.397 173.045 174.600 -0.264 0.000 1.083 325 S CA -0.695 57.493 58.200 -0.019 0.000 0.978 325 S CB 0.865 64.082 63.200 0.028 0.000 1.073 325 S HN 0.586 nan 8.310 nan 0.000 0.491 326 H N 1.079 120.211 119.070 0.103 0.000 2.768 326 H HA 0.411 4.970 4.556 0.005 0.000 0.371 326 H C -0.478 174.862 175.328 0.019 0.000 1.151 326 H CA -0.704 55.314 56.048 -0.050 0.000 1.165 326 H CB 1.311 30.918 29.762 -0.257 0.000 1.722 326 H HN 0.407 nan 8.280 nan 0.000 0.543 327 R N 1.787 122.362 120.500 0.124 0.000 2.340 327 R HA 0.369 4.712 4.340 0.005 0.000 0.300 327 R C -0.285 176.033 176.300 0.030 0.000 1.069 327 R CA -0.507 55.666 56.100 0.120 0.000 0.984 327 R CB 0.815 31.177 30.300 0.104 0.000 1.003 327 R HN 0.319 nan 8.270 nan 0.000 0.459 328 I N 1.772 122.399 120.570 0.094 0.000 2.466 328 I HA 0.294 4.467 4.170 0.005 0.000 0.289 328 I C 0.486 176.662 176.117 0.098 0.000 1.026 328 I CA -0.536 60.722 61.300 -0.070 0.000 1.078 328 I CB 1.726 39.471 38.000 -0.424 0.000 1.249 328 I HN 0.684 nan 8.210 nan 0.000 0.429 329 G N 6.662 115.432 108.800 -0.051 0.000 2.343 329 G HA2 0.648 4.611 3.960 0.005 0.000 0.319 329 G HA3 0.648 4.611 3.960 0.005 0.000 0.319 329 G C -0.734 174.188 174.900 0.037 0.000 1.126 329 G CA -0.486 44.646 45.100 0.054 0.000 0.889 329 G HN 0.468 nan 8.290 nan 0.000 0.457 330 L N 3.995 125.346 121.223 0.214 0.000 2.262 330 L HA 0.640 4.983 4.340 0.005 0.000 0.288 330 L C 0.265 177.244 176.870 0.182 0.000 1.035 330 L CA -0.887 54.023 54.840 0.117 0.000 0.820 330 L CB 0.638 42.755 42.059 0.097 0.000 1.204 330 L HN 0.634 nan 8.230 nan 0.000 0.424 331 R N 1.764 122.333 120.500 0.115 0.000 2.712 331 R HA 0.512 4.855 4.340 0.005 0.000 0.272 331 R C -1.266 175.095 176.300 0.101 0.000 1.032 331 R CA -0.699 55.507 56.100 0.177 0.000 0.874 331 R CB 1.267 31.768 30.300 0.335 0.000 1.256 331 R HN 0.396 nan 8.270 nan 0.000 0.468 332 T N -0.636 113.993 114.554 0.125 0.000 2.823 332 T HA 0.730 5.083 4.350 0.005 0.000 0.279 332 T C 0.323 175.095 174.700 0.120 0.000 0.998 332 T CA -0.781 61.372 62.100 0.089 0.000 0.994 332 T CB 0.995 69.907 68.868 0.074 0.000 0.960 332 T HN 0.478 nan 8.240 nan 0.000 0.448 333 I N 2.436 123.056 120.570 0.083 0.000 2.439 333 I HA 0.482 4.655 4.170 0.005 0.000 0.285 333 I C -0.031 176.105 176.117 0.033 0.000 1.021 333 I CA -0.882 60.478 61.300 0.101 0.000 1.091 333 I CB 1.971 40.040 38.000 0.114 0.000 1.242 333 I HN 0.602 nan 8.210 nan 0.000 0.439 334 R N 5.655 126.149 120.500 -0.009 0.000 2.494 334 R HA 0.668 5.011 4.340 0.005 0.000 0.305 334 R C -1.594 174.493 176.300 -0.355 0.000 0.959 334 R CA -0.516 55.502 56.100 -0.137 0.000 0.864 334 R CB 1.959 32.193 30.300 -0.111 0.000 1.159 334 R HN 0.418 nan 8.270 nan 0.000 0.446 335 V N 5.372 124.927 119.914 -0.598 0.000 2.406 335 V HA 0.252 4.375 4.120 0.005 0.000 0.272 335 V C -0.267 175.177 176.094 -1.083 0.000 1.043 335 V CA -0.631 60.964 62.300 -1.175 0.000 0.915 335 V CB 1.510 32.222 31.823 -1.852 0.000 0.988 335 V HN 0.518 nan 8.190 nan 0.000 0.466 336 V N 5.567 124.786 119.914 -1.158 0.000 2.333 336 V HA 0.375 4.498 4.120 0.005 0.000 0.274 336 V C 0.327 175.908 176.094 -0.854 0.000 1.028 336 V CA -0.365 61.359 62.300 -0.960 0.000 0.851 336 V CB 0.975 32.038 31.823 -1.266 0.000 1.000 336 V HN 0.946 nan 8.190 nan 0.000 0.456 337 N N 4.517 122.882 118.700 -0.558 0.000 2.716 337 N HA 0.350 5.093 4.740 0.005 0.000 0.253 337 N C -0.957 174.503 175.510 -0.084 0.000 1.170 337 N CA -0.260 52.618 53.050 -0.288 0.000 0.807 337 N CB 1.156 39.456 38.487 -0.312 0.000 1.183 337 N HN 0.740 nan 8.380 nan 0.000 0.524 338 E N 1.597 121.784 120.200 -0.023 0.000 2.292 338 E HA 0.222 4.575 4.350 0.005 0.000 0.272 338 E C -0.976 175.668 176.600 0.073 0.000 0.881 338 E CA -0.803 55.608 56.400 0.018 0.000 0.754 338 E CB 2.431 32.128 29.700 -0.005 0.000 1.201 338 E HN 0.269 nan 8.360 nan 0.000 0.425 339 K N 2.331 122.778 120.400 0.078 0.000 2.530 339 K HA -0.057 4.266 4.320 0.005 0.000 0.280 339 K C -0.394 176.257 176.600 0.084 0.000 1.004 339 K CA 1.046 57.386 56.287 0.088 0.000 1.071 339 K CB 0.146 32.692 32.500 0.076 0.000 0.876 339 K HN 0.446 nan 8.250 nan 0.000 0.487 340 D N 0.424 120.880 120.400 0.094 0.000 2.664 340 D HA 0.053 4.696 4.640 0.005 0.000 0.292 340 D C 0.228 176.585 176.300 0.095 0.000 1.214 340 D CA -0.908 53.148 54.000 0.093 0.000 0.932 340 D CB 0.332 41.194 40.800 0.102 0.000 1.420 340 D HN 0.359 nan 8.370 nan 0.000 0.471 341 K N -0.763 119.695 120.400 0.097 0.000 2.211 341 K HA -0.123 4.200 4.320 0.005 0.000 0.204 341 K C 0.186 176.860 176.600 0.124 0.000 1.047 341 K CA 1.328 57.675 56.287 0.100 0.000 0.935 341 K CB -0.211 32.347 32.500 0.097 0.000 0.728 341 K HN 0.233 nan 8.250 nan 0.000 0.452 342 D N 0.098 120.584 120.400 0.143 0.000 2.354 342 D HA 0.111 4.754 4.640 0.005 0.000 0.209 342 D C 1.101 177.497 176.300 0.160 0.000 1.015 342 D CA 1.033 55.150 54.000 0.195 0.000 0.867 342 D CB 1.200 42.153 40.800 0.254 0.000 0.933 342 D HN 0.534 nan 8.370 nan 0.000 0.520 343 G N 0.672 109.545 108.800 0.122 0.000 1.812 343 G HA2 -0.105 3.858 3.960 0.005 0.000 0.053 343 G HA3 -0.105 3.858 3.960 0.005 0.000 0.053 343 G C -1.108 173.865 174.900 0.123 0.000 0.844 343 G CA -0.710 44.461 45.100 0.119 0.000 1.151 343 G HN 0.144 nan 8.290 nan 0.000 0.362 344 E N 1.138 121.421 120.200 0.137 0.000 2.265 344 E HA 0.525 4.878 4.350 0.005 0.000 0.262 344 E C -0.111 176.601 176.600 0.188 0.000 0.889 344 E CA -0.162 56.345 56.400 0.178 0.000 0.789 344 E CB 2.067 31.928 29.700 0.267 0.000 1.221 344 E HN 0.712 nan 8.360 nan 0.000 0.414 345 S N 2.226 118.027 115.700 0.169 0.000 2.589 345 S HA 0.343 4.816 4.470 0.005 0.000 0.265 345 S C -0.253 174.503 174.600 0.261 0.000 1.342 345 S CA -0.344 57.981 58.200 0.210 0.000 1.005 345 S CB 0.560 63.915 63.200 0.259 0.000 0.909 345 S HN 0.513 nan 8.310 nan 0.000 0.555 346 F N 2.910 122.930 119.950 0.116 0.000 3.164 346 F HA 0.489 5.019 4.527 0.005 0.000 0.375 346 F C -1.268 174.563 175.800 0.050 0.000 1.257 346 F CA -0.684 57.289 58.000 -0.045 0.000 1.171 346 F CB 0.768 39.785 39.000 0.028 0.000 1.588 346 F HN 0.831 nan 8.300 nan 0.000 0.604 347 Y N 2.205 122.259 120.300 -0.410 0.000 2.670 347 Y HA 0.753 5.305 4.550 0.004 0.000 0.334 347 Y C -2.130 173.478 175.900 -0.487 0.000 1.185 347 Y CA -2.338 55.648 58.100 -0.190 0.000 1.053 347 Y CB 1.053 39.559 38.460 0.076 0.000 1.298 347 Y HN 0.205 nan 8.280 nan 0.000 0.459 348 F N 1.300 121.303 119.950 0.090 0.000 2.420 348 F HA 0.463 4.992 4.527 0.004 0.000 0.342 348 F C 0.026 175.939 175.800 0.188 0.000 1.113 348 F CA -0.488 57.503 58.000 -0.015 0.000 1.059 348 F CB 1.823 40.831 39.000 0.013 0.000 1.128 348 F HN 0.530 nan 8.300 nan 0.000 0.475 349 E N 2.575 122.907 120.200 0.219 0.000 2.113 349 E HA 0.507 4.860 4.350 0.005 0.000 0.273 349 E C -1.431 175.327 176.600 0.264 0.000 0.924 349 E CA -0.522 56.042 56.400 0.274 0.000 0.764 349 E CB 1.457 31.255 29.700 0.164 0.000 1.104 349 E HN 0.355 nan 8.360 nan 0.000 0.406 350 V N 5.315 125.445 119.914 0.360 0.000 2.409 350 V HA 0.192 4.315 4.120 0.005 0.000 0.291 350 V C 0.053 176.364 176.094 0.362 0.000 1.020 350 V CA -0.951 61.567 62.300 0.364 0.000 0.848 350 V CB 1.402 33.454 31.823 0.381 0.000 0.990 350 V HN 0.829 nan 8.190 nan 0.000 0.430 351 N N 4.077 122.933 118.700 0.260 0.000 2.727 351 N HA -0.217 4.526 4.740 0.005 0.000 0.249 351 N C 1.188 176.787 175.510 0.148 0.000 1.048 351 N CA 1.486 54.653 53.050 0.194 0.000 0.714 351 N CB -0.995 37.616 38.487 0.207 0.000 0.959 351 N HN 1.537 nan 8.380 nan 0.000 0.544 352 G N -1.353 107.536 108.800 0.148 0.000 2.179 352 G HA2 -0.308 3.655 3.960 0.005 0.000 0.260 352 G HA3 -0.308 3.655 3.960 0.005 0.000 0.260 352 G C 0.045 175.025 174.900 0.132 0.000 0.977 352 G CA 0.509 45.679 45.100 0.117 0.000 0.641 352 G HN 0.522 nan 8.290 nan 0.000 0.533 353 I N 0.952 121.638 120.570 0.193 0.000 2.436 353 I HA 0.360 4.533 4.170 0.005 0.000 0.289 353 I C -2.422 173.931 176.117 0.393 0.000 1.010 353 I CA -2.731 58.686 61.300 0.195 0.000 1.098 353 I CB 2.358 40.346 38.000 -0.021 0.000 1.266 353 I HN -0.226 nan 8.210 nan 0.000 0.434 354 P HA 0.049 nan 4.420 nan 0.000 0.263 354 P C -0.724 176.871 177.300 0.491 0.000 1.195 354 P CA 0.204 63.526 63.100 0.370 0.000 0.762 354 P CB 0.389 32.161 31.700 0.120 0.000 0.799 355 M N 5.711 125.575 119.600 0.439 0.000 2.085 355 M HA 0.349 4.832 4.480 0.005 0.000 0.309 355 M C -1.017 175.400 176.300 0.196 0.000 0.947 355 M CA -1.141 54.298 55.300 0.233 0.000 0.918 355 M CB 0.478 32.990 32.600 -0.147 0.000 1.504 355 M HN 0.120 nan 8.290 nan 0.000 0.420 356 F N 4.326 124.322 119.950 0.076 0.000 2.557 356 F HA 0.332 4.861 4.527 0.004 0.000 0.384 356 F C 0.287 176.041 175.800 -0.077 0.000 1.057 356 F CA 0.049 58.071 58.000 0.037 0.000 1.169 356 F CB 0.468 39.481 39.000 0.022 0.000 1.070 356 F HN 0.671 nan 8.300 nan 0.000 0.554 357 A N 7.149 129.724 122.820 -0.407 0.000 2.401 357 A HA 0.449 4.772 4.320 0.005 0.000 0.259 357 A C -0.459 176.877 177.584 -0.413 0.000 1.103 357 A CA -0.501 51.343 52.037 -0.320 0.000 0.789 357 A CB 0.297 19.239 19.000 -0.096 0.000 1.035 357 A HN 0.810 nan 8.150 nan 0.000 0.491 358 K N 1.852 121.993 120.400 -0.431 0.000 2.578 358 K HA 0.602 4.925 4.320 0.005 0.000 0.250 358 K C 0.048 176.206 176.600 -0.736 0.000 0.955 358 K CA -0.069 55.704 56.287 -0.857 0.000 0.825 358 K CB 2.180 33.911 32.500 -1.281 0.000 1.151 358 K HN 1.071 nan 8.250 nan 0.000 0.432 359 G N 1.058 109.602 108.800 -0.426 0.000 2.474 359 G HA2 0.709 4.671 3.960 0.005 0.000 0.234 359 G HA3 0.709 4.671 3.960 0.005 0.000 0.234 359 G C -1.813 172.925 174.900 -0.269 0.000 1.204 359 G CA -0.115 44.849 45.100 -0.228 0.000 0.939 359 G HN 0.645 nan 8.290 nan 0.000 0.491 360 A N -0.943 121.619 122.820 -0.429 0.000 2.610 360 A HA 0.744 5.067 4.320 0.005 0.000 0.291 360 A C -1.203 176.083 177.584 -0.496 0.000 1.086 360 A CA -0.717 50.870 52.037 -0.750 0.000 0.677 360 A CB 1.000 19.221 19.000 -1.297 0.000 1.278 360 A HN 0.580 nan 8.150 nan 0.000 0.414 361 N N 0.788 119.147 118.700 -0.567 0.000 2.458 361 N HA 0.295 5.038 4.740 0.005 0.000 0.270 361 N C -1.479 173.671 175.510 -0.600 0.000 1.102 361 N CA 0.318 53.065 53.050 -0.506 0.000 0.967 361 N CB 1.199 39.359 38.487 -0.545 0.000 1.078 361 N HN 0.629 nan 8.380 nan 0.000 0.471 362 Y N 3.824 123.845 120.300 -0.465 0.000 2.330 362 Y HA 0.453 5.006 4.550 0.005 0.000 0.336 362 Y C -0.036 175.620 175.900 -0.407 0.000 1.036 362 Y CA -0.844 57.002 58.100 -0.423 0.000 1.125 362 Y CB 0.566 38.898 38.460 -0.215 0.000 1.194 362 Y HN 0.441 nan 8.280 nan 0.000 0.469 363 I N 3.679 123.525 120.570 -1.207 0.000 3.133 363 I HA 0.741 4.914 4.170 0.005 0.000 0.311 363 I C -2.784 172.569 176.117 -1.274 0.000 1.072 363 I CA -3.298 57.385 61.300 -1.028 0.000 1.015 363 I CB 1.785 39.017 38.000 -1.281 0.000 1.233 363 I HN 0.381 nan 8.210 nan 0.000 0.473 364 P HA 0.061 nan 4.420 nan 0.000 0.265 364 P C -0.475 176.542 177.300 -0.472 0.000 1.193 364 P CA 0.193 62.917 63.100 -0.627 0.000 0.765 364 P CB 0.446 31.644 31.700 -0.837 0.000 0.823 365 Q N 0.665 120.305 119.800 -0.267 0.000 2.435 365 Q HA -0.013 4.330 4.340 0.005 0.000 0.207 365 Q C 0.327 176.357 176.000 0.050 0.000 0.956 365 Q CA 1.012 56.720 55.803 -0.159 0.000 0.917 365 Q CB 0.212 28.854 28.738 -0.160 0.000 0.997 365 Q HN 0.533 nan 8.270 nan 0.000 0.497 366 D N -2.664 117.807 120.400 0.120 0.000 2.654 366 D HA 0.241 4.884 4.640 0.005 0.000 0.231 366 D C -0.435 176.057 176.300 0.320 0.000 1.239 366 D CA -0.033 54.144 54.000 0.295 0.000 0.790 366 D CB 1.511 42.502 40.800 0.318 0.000 1.480 366 D HN -0.077 nan 8.370 nan 0.000 0.442 367 A N 2.070 125.086 122.820 0.326 0.000 2.019 367 A HA 0.030 4.353 4.320 0.005 0.000 0.219 367 A C 0.986 178.625 177.584 0.093 0.000 1.164 367 A CA 0.996 53.158 52.037 0.209 0.000 0.644 367 A CB -0.130 18.968 19.000 0.163 0.000 0.805 367 A HN 0.459 nan 8.150 nan 0.000 0.449 368 L N 0.329 121.635 121.223 0.137 0.000 2.324 368 L HA 0.309 4.652 4.340 0.005 0.000 0.274 368 L C 0.609 177.566 176.870 0.146 0.000 1.012 368 L CA -0.518 54.358 54.840 0.061 0.000 0.859 368 L CB 1.419 43.476 42.059 -0.003 0.000 1.224 368 L HN 0.204 nan 8.230 nan 0.000 0.429 369 L N 3.280 124.610 121.223 0.179 0.000 2.043 369 L HA -0.142 4.201 4.340 0.005 0.000 0.212 369 L C -0.448 176.600 176.870 0.295 0.000 1.075 369 L CA 1.547 56.557 54.840 0.283 0.000 0.752 369 L CB -1.157 41.133 42.059 0.385 0.000 0.891 369 L HN 0.532 nan 8.230 nan 0.000 0.432 370 P HA -0.069 nan 4.420 nan 0.000 0.230 370 P C 0.722 178.110 177.300 0.146 0.000 1.158 370 P CA 0.922 64.136 63.100 0.191 0.000 0.769 370 P CB -0.072 31.697 31.700 0.115 0.000 0.807 371 N N -0.946 117.837 118.700 0.139 0.000 2.494 371 N HA -0.021 4.722 4.740 0.005 0.000 0.182 371 N C 0.025 175.613 175.510 0.130 0.000 1.076 371 N CA 0.374 53.497 53.050 0.122 0.000 0.908 371 N CB -0.368 38.194 38.487 0.126 0.000 0.967 371 N HN 0.019 nan 8.380 nan 0.000 0.449 372 V N 2.483 122.487 119.914 0.149 0.000 2.397 372 V HA 0.071 4.194 4.120 0.005 0.000 0.262 372 V C 0.866 177.075 176.094 0.191 0.000 1.047 372 V CA -0.377 61.978 62.300 0.091 0.000 1.003 372 V CB -0.112 31.692 31.823 -0.030 0.000 1.037 372 V HN 0.230 nan 8.190 nan 0.000 0.480 373 T N 1.338 115.978 114.554 0.144 0.000 2.816 373 T HA 0.140 4.493 4.350 0.005 0.000 0.282 373 T C 1.416 176.294 174.700 0.298 0.000 0.993 373 T CA -0.017 62.196 62.100 0.188 0.000 0.994 373 T CB 1.069 70.008 68.868 0.119 0.000 1.025 373 T HN 0.539 nan 8.240 nan 0.000 0.529 374 T N 0.248 114.948 114.554 0.244 0.000 2.699 374 T HA -0.160 4.193 4.350 0.005 0.000 0.268 374 T C 1.725 176.549 174.700 0.206 0.000 1.036 374 T CA 1.825 64.061 62.100 0.225 0.000 1.147 374 T CB -0.427 68.512 68.868 0.118 0.000 0.862 374 T HN 0.840 nan 8.240 nan 0.000 0.446 375 E N 0.808 121.092 120.200 0.141 0.000 2.110 375 E HA -0.165 4.188 4.350 0.005 0.000 0.193 375 E C 2.377 179.039 176.600 0.103 0.000 0.988 375 E CA 0.913 57.376 56.400 0.105 0.000 0.804 375 E CB -0.006 29.739 29.700 0.074 0.000 0.745 375 E HN 0.420 nan 8.360 nan 0.000 0.458 376 R N -0.831 119.722 120.500 0.088 0.000 2.075 376 R HA -0.130 4.213 4.340 0.005 0.000 0.232 376 R C 2.292 178.614 176.300 0.037 0.000 1.126 376 R CA 1.618 57.726 56.100 0.013 0.000 0.963 376 R CB -0.328 29.929 30.300 -0.071 0.000 0.858 376 R HN 0.274 nan 8.270 nan 0.000 0.435 377 Y N 1.149 121.513 120.300 0.108 0.000 2.145 377 Y HA -0.252 4.301 4.550 0.005 0.000 0.286 377 Y C 2.540 178.544 175.900 0.174 0.000 1.145 377 Y CA 1.583 59.778 58.100 0.158 0.000 1.148 377 Y CB -0.247 38.307 38.460 0.158 0.000 0.981 377 Y HN 0.116 nan 8.280 nan 0.000 0.507 378 Q N -0.761 119.200 119.800 0.269 0.000 2.061 378 Q HA -0.198 4.145 4.340 0.005 0.000 0.204 378 Q C 2.172 178.268 176.000 0.161 0.000 0.984 378 Q CA 2.312 58.222 55.803 0.179 0.000 0.846 378 Q CB -0.479 28.326 28.738 0.112 0.000 0.902 378 Q HN 0.428 nan 8.270 nan 0.000 0.421 379 T N 1.336 115.958 114.554 0.114 0.000 2.746 379 T HA -0.144 4.209 4.350 0.005 0.000 0.267 379 T C 1.713 176.442 174.700 0.048 0.000 1.039 379 T CA 0.922 63.069 62.100 0.078 0.000 1.142 379 T CB -0.264 68.634 68.868 0.051 0.000 0.866 379 T HN 0.079 nan 8.240 nan 0.000 0.444 380 L N 0.321 121.543 121.223 -0.000 0.000 2.083 380 L HA 0.061 4.404 4.340 0.005 0.000 0.209 380 L C 1.909 178.623 176.870 -0.261 0.000 1.083 380 L CA 1.562 56.313 54.840 -0.148 0.000 0.752 380 L CB -0.884 41.062 42.059 -0.189 0.000 0.899 380 L HN 0.202 nan 8.230 nan 0.000 0.433 381 F N -0.606 119.283 119.950 -0.101 0.000 2.206 381 F HA -0.125 4.405 4.527 0.005 0.000 0.298 381 F C 2.719 178.489 175.800 -0.049 0.000 1.090 381 F CA 1.455 59.378 58.000 -0.128 0.000 1.323 381 F CB -0.417 38.478 39.000 -0.175 0.000 1.028 381 F HN 0.027 nan 8.300 nan 0.000 0.492 382 R N 0.625 121.214 120.500 0.148 0.000 2.117 382 R HA -0.190 4.153 4.340 0.005 0.000 0.243 382 R C 1.666 178.060 176.300 0.155 0.000 1.143 382 R CA 2.096 58.277 56.100 0.135 0.000 0.968 382 R CB -0.390 29.985 30.300 0.126 0.000 0.863 382 R HN 0.181 nan 8.270 nan 0.000 0.444 383 D N 0.055 120.519 120.400 0.106 0.000 2.144 383 D HA -0.162 4.481 4.640 0.005 0.000 0.200 383 D C 1.958 178.293 176.300 0.057 0.000 0.978 383 D CA 1.373 55.427 54.000 0.090 0.000 0.833 383 D CB -0.123 40.551 40.800 -0.209 0.000 0.961 383 D HN 0.359 nan 8.370 nan 0.000 0.470 384 M N 0.297 119.865 119.600 -0.054 0.000 2.099 384 M HA -0.116 4.367 4.480 0.005 0.000 0.262 384 M C 2.262 178.569 176.300 0.012 0.000 1.067 384 M CA 1.138 56.400 55.300 -0.064 0.000 1.124 384 M CB -0.156 32.310 32.600 -0.223 0.000 1.353 384 M HN -0.125 nan 8.290 nan 0.000 0.410 385 K N 0.821 121.250 120.400 0.048 0.000 2.057 385 K HA -0.175 4.148 4.320 0.005 0.000 0.207 385 K C 1.609 178.266 176.600 0.096 0.000 1.049 385 K CA 1.518 57.843 56.287 0.063 0.000 0.931 385 K CB 0.018 32.565 32.500 0.078 0.000 0.714 385 K HN 0.358 nan 8.250 nan 0.000 0.440 386 E N -0.480 119.816 120.200 0.161 0.000 2.268 386 E HA -0.107 4.246 4.350 0.005 0.000 0.195 386 E C 1.190 177.924 176.600 0.223 0.000 0.995 386 E CA 0.687 57.224 56.400 0.228 0.000 0.836 386 E CB 0.110 30.027 29.700 0.362 0.000 0.763 386 E HN 0.360 nan 8.360 nan 0.000 0.491 387 A N 1.110 124.011 122.820 0.134 0.000 2.337 387 A HA 0.030 4.353 4.320 0.005 0.000 0.227 387 A C 0.195 177.855 177.584 0.127 0.000 1.259 387 A CA -0.172 51.879 52.037 0.024 0.000 0.870 387 A CB -0.056 18.753 19.000 -0.319 0.000 0.927 387 A HN 0.186 nan 8.150 nan 0.000 0.497 388 N N -1.339 117.426 118.700 0.108 0.000 2.829 388 N HA -0.147 4.596 4.740 0.005 0.000 0.250 388 N C -0.159 175.348 175.510 -0.006 0.000 1.090 388 N CA 1.247 54.347 53.050 0.084 0.000 0.781 388 N CB -1.746 36.829 38.487 0.148 0.000 1.124 388 N HN 0.632 nan 8.380 nan 0.000 0.559 389 M N 0.703 120.288 119.600 -0.026 0.000 2.240 389 M HA 0.097 4.580 4.480 0.005 0.000 0.333 389 M C 1.395 177.584 176.300 -0.186 0.000 1.110 389 M CA 0.411 55.610 55.300 -0.168 0.000 1.173 389 M CB 0.347 32.879 32.600 -0.114 0.000 1.458 389 M HN 0.175 nan 8.290 nan 0.000 0.458 390 N N 1.077 119.625 118.700 -0.253 0.000 2.143 390 N HA 0.290 5.033 4.740 0.005 0.000 0.222 390 N C -0.614 174.786 175.510 -0.182 0.000 1.264 390 N CA -0.241 52.676 53.050 -0.221 0.000 0.897 390 N CB 0.781 39.082 38.487 -0.311 0.000 1.092 390 N HN 0.700 nan 8.380 nan 0.000 0.516 391 M N 0.294 119.783 119.600 -0.185 0.000 2.465 391 M HA 0.529 5.012 4.480 0.005 0.000 0.284 391 M C -2.160 174.066 176.300 -0.123 0.000 1.212 391 M CA -0.916 54.299 55.300 -0.142 0.000 0.910 391 M CB 2.491 34.986 32.600 -0.175 0.000 1.725 391 M HN -0.171 nan 8.290 nan 0.000 0.477 392 V N 3.748 123.626 119.914 -0.059 0.000 2.760 392 V HA 0.662 4.785 4.120 0.005 0.000 0.309 392 V C -1.558 174.542 176.094 0.011 0.000 1.077 392 V CA -0.597 61.662 62.300 -0.069 0.000 0.910 392 V CB 2.338 34.109 31.823 -0.087 0.000 1.008 392 V HN 0.977 nan 8.190 nan 0.000 0.424 393 R N 6.094 126.553 120.500 -0.067 0.000 2.255 393 R HA 0.575 4.918 4.340 0.005 0.000 0.326 393 R C -0.895 175.421 176.300 0.028 0.000 0.986 393 R CA -0.527 55.520 56.100 -0.088 0.000 0.847 393 R CB 0.990 31.029 30.300 -0.434 0.000 1.111 393 R HN 0.774 nan 8.270 nan 0.000 0.452 394 I N 5.967 126.597 120.570 0.100 0.000 2.260 394 I HA 0.092 4.265 4.170 0.005 0.000 0.297 394 I C -0.083 176.124 176.117 0.150 0.000 1.143 394 I CA -0.495 60.865 61.300 0.100 0.000 1.271 394 I CB 0.116 38.081 38.000 -0.059 0.000 1.461 394 I HN 0.620 nan 8.210 nan 0.000 0.530 395 W N 6.018 127.299 121.300 -0.031 0.000 2.193 395 W HA 0.237 4.900 4.660 0.005 0.000 0.338 395 W C 1.326 177.830 176.519 -0.025 0.000 1.310 395 W CA -0.323 57.036 57.345 0.024 0.000 1.243 395 W CB 0.892 30.422 29.460 0.117 0.000 1.165 395 W HN 0.544 nan 8.180 nan 0.000 0.566 396 G N 3.058 111.465 108.800 -0.656 0.000 2.956 396 G HA2 0.053 4.016 3.960 0.005 0.000 0.207 396 G HA3 0.053 4.016 3.960 0.005 0.000 0.207 396 G C 0.965 175.264 174.900 -1.002 0.000 1.162 396 G CA 0.324 45.023 45.100 -0.668 0.000 0.796 396 G HN 0.851 nan 8.290 nan 0.000 0.527 397 G N -0.474 107.142 108.800 -1.974 0.000 3.189 397 G HA2 0.438 4.401 3.960 0.005 0.000 0.225 397 G HA3 0.438 4.401 3.960 0.005 0.000 0.225 397 G C 0.808 175.367 174.900 -0.569 0.000 1.159 397 G CA 0.610 44.798 45.100 -1.520 0.000 0.763 397 G HN 0.494 nan 8.290 nan 0.000 0.549 398 G N 0.170 108.741 108.800 -0.381 0.000 3.434 398 G HA2 0.511 4.474 3.960 0.005 0.000 0.192 398 G HA3 0.511 4.474 3.960 0.005 0.000 0.192 398 G C 0.161 175.010 174.900 -0.085 0.000 1.704 398 G CA 0.609 45.607 45.100 -0.170 0.000 0.936 398 G HN 0.592 nan 8.290 nan 0.000 0.623 399 T N -2.825 111.684 114.554 -0.075 0.000 2.916 399 T HA 0.577 4.930 4.350 0.005 0.000 0.292 399 T C -1.120 173.503 174.700 -0.129 0.000 1.064 399 T CA -0.735 61.384 62.100 0.032 0.000 1.011 399 T CB 1.503 70.590 68.868 0.365 0.000 1.152 399 T HN 0.291 nan 8.240 nan 0.000 0.510 400 Y N 1.399 121.733 120.300 0.057 0.000 2.496 400 Y HA 0.309 4.862 4.550 0.005 0.000 0.334 400 Y C 1.433 177.492 175.900 0.265 0.000 1.080 400 Y CA -0.510 57.665 58.100 0.125 0.000 1.355 400 Y CB 0.277 38.806 38.460 0.115 0.000 1.193 400 Y HN 0.522 nan 8.280 nan 0.000 0.523 401 E N 2.641 123.049 120.200 0.346 0.000 2.391 401 E HA -0.009 4.344 4.350 0.005 0.000 0.255 401 E C -0.042 176.792 176.600 0.391 0.000 1.187 401 E CA -0.314 56.210 56.400 0.208 0.000 0.941 401 E CB 0.443 29.833 29.700 -0.518 0.000 1.010 401 E HN 0.743 nan 8.360 nan 0.000 0.458 402 N N 1.054 119.901 118.700 0.244 0.000 2.354 402 N HA -0.035 4.708 4.740 0.005 0.000 0.246 402 N C 0.507 176.132 175.510 0.192 0.000 1.285 402 N CA -0.176 52.964 53.050 0.150 0.000 0.925 402 N CB 0.231 38.724 38.487 0.011 0.000 1.174 402 N HN 0.212 nan 8.380 nan 0.000 0.478 403 N N -0.359 118.412 118.700 0.117 0.000 2.149 403 N HA -0.132 4.611 4.740 0.005 0.000 0.188 403 N C 1.438 176.990 175.510 0.070 0.000 1.019 403 N CA 0.598 53.736 53.050 0.147 0.000 0.857 403 N CB -0.513 38.033 38.487 0.097 0.000 0.997 403 N HN 0.547 nan 8.380 nan 0.000 0.426 404 L N 0.452 121.627 121.223 -0.080 0.000 2.012 404 L HA -0.094 4.249 4.340 0.005 0.000 0.210 404 L C 2.063 178.773 176.870 -0.266 0.000 1.073 404 L CA 1.361 56.081 54.840 -0.200 0.000 0.748 404 L CB -1.001 40.854 42.059 -0.340 0.000 0.891 404 L HN 0.084 nan 8.230 nan 0.000 0.431 405 F N -0.892 118.783 119.950 -0.457 0.000 2.091 405 F HA -0.363 4.167 4.527 0.005 0.000 0.299 405 F C 2.060 177.526 175.800 -0.556 0.000 1.103 405 F CA 2.069 59.830 58.000 -0.399 0.000 1.228 405 F CB -0.354 38.434 39.000 -0.354 0.000 0.984 405 F HN 0.176 nan 8.300 nan 0.000 0.477 406 Y N 0.187 120.421 120.300 -0.111 0.000 2.263 406 Y HA -0.169 4.384 4.550 0.005 0.000 0.292 406 Y C 2.328 177.936 175.900 -0.487 0.000 1.130 406 Y CA 1.153 58.995 58.100 -0.429 0.000 1.179 406 Y CB -0.831 37.049 38.460 -0.966 0.000 0.998 406 Y HN 0.030 nan 8.280 nan 0.000 0.532 407 D N 0.245 120.542 120.400 -0.172 0.000 2.123 407 D HA -0.174 4.469 4.640 0.005 0.000 0.196 407 D C 2.126 178.282 176.300 -0.240 0.000 0.992 407 D CA 1.306 55.273 54.000 -0.055 0.000 0.833 407 D CB -0.366 40.425 40.800 -0.015 0.000 0.954 407 D HN 0.307 nan 8.370 nan 0.000 0.455 408 L N 0.392 121.288 121.223 -0.545 0.000 2.072 408 L HA -0.073 4.269 4.340 0.005 0.000 0.205 408 L C 2.532 178.790 176.870 -1.020 0.000 1.079 408 L CA 0.910 55.230 54.840 -0.868 0.000 0.752 408 L CB -0.358 40.887 42.059 -1.357 0.000 0.906 408 L HN -0.039 nan 8.230 nan 0.000 0.436 409 A N 0.138 122.298 122.820 -1.100 0.000 1.883 409 A HA -0.265 4.058 4.320 0.005 0.000 0.217 409 A C 1.912 179.475 177.584 -0.035 0.000 1.186 409 A CA 2.154 53.949 52.037 -0.404 0.000 0.624 409 A CB -0.603 18.284 19.000 -0.189 0.000 0.822 409 A HN 0.363 nan 8.150 nan 0.000 0.444 410 D N -0.193 120.202 120.400 -0.007 0.000 2.092 410 D HA -0.192 4.451 4.640 0.005 0.000 0.193 410 D C 1.975 178.482 176.300 0.345 0.000 0.994 410 D CA 1.793 55.931 54.000 0.230 0.000 0.828 410 D CB -0.476 40.419 40.800 0.158 0.000 0.963 410 D HN 0.889 nan 8.370 nan 0.000 0.450 411 E N -0.182 120.077 120.200 0.097 0.000 2.481 411 E HA -0.018 4.335 4.350 0.005 0.000 0.195 411 E C 1.055 177.658 176.600 0.005 0.000 1.047 411 E CA 0.417 56.854 56.400 0.062 0.000 0.867 411 E CB -0.044 29.657 29.700 0.001 0.000 0.858 411 E HN 0.133 nan 8.360 nan 0.000 0.513 412 N N 0.715 119.408 118.700 -0.012 0.000 2.236 412 N HA 0.056 4.799 4.740 0.005 0.000 0.196 412 N C 0.505 176.002 175.510 -0.022 0.000 1.114 412 N CA 0.717 53.764 53.050 -0.004 0.000 0.859 412 N CB 1.239 39.754 38.487 0.048 0.000 0.982 412 N HN 0.358 nan 8.380 nan 0.000 0.493 413 G N 1.753 110.550 108.800 -0.005 0.000 2.272 413 G HA2 -0.220 3.743 3.960 0.005 0.000 0.280 413 G HA3 -0.220 3.743 3.960 0.005 0.000 0.280 413 G C -0.321 174.580 174.900 0.001 0.000 1.067 413 G CA -0.160 44.818 45.100 -0.203 0.000 0.902 413 G HN 0.181 nan 8.290 nan 0.000 0.500 414 I N 0.471 121.160 120.570 0.198 0.000 2.355 414 I HA 0.402 4.575 4.170 0.005 0.000 0.288 414 I C 0.761 176.998 176.117 0.201 0.000 0.999 414 I CA -1.676 59.702 61.300 0.130 0.000 1.163 414 I CB 1.099 39.179 38.000 0.134 0.000 1.316 414 I HN -0.029 nan 8.210 nan 0.000 0.454 415 L N 6.741 128.050 121.223 0.142 0.000 2.483 415 L HA 0.142 4.485 4.340 0.005 0.000 0.276 415 L C 0.221 177.117 176.870 0.043 0.000 1.213 415 L CA 0.435 55.324 54.840 0.081 0.000 0.843 415 L CB 0.539 42.560 42.059 -0.064 0.000 1.107 415 L HN 0.245 nan 8.230 nan 0.000 0.487 416 V N 2.505 122.454 119.914 0.058 0.000 2.409 416 V HA 0.238 4.361 4.120 0.005 0.000 0.291 416 V C -0.783 175.394 176.094 0.137 0.000 1.020 416 V CA -0.712 61.656 62.300 0.113 0.000 0.848 416 V CB 1.565 33.481 31.823 0.155 0.000 0.990 416 V HN 0.702 nan 8.190 nan 0.000 0.430 417 W N 6.004 127.295 121.300 -0.015 0.000 2.342 417 W HA 0.528 5.191 4.660 0.005 0.000 0.310 417 W C -0.452 176.059 176.519 -0.013 0.000 1.128 417 W CA -0.973 56.391 57.345 0.030 0.000 1.322 417 W CB 1.335 30.864 29.460 0.115 0.000 1.251 417 W HN 0.618 nan 8.180 nan 0.000 0.439 418 Q N 4.809 124.715 119.800 0.177 0.000 2.372 418 Q HA 0.216 4.559 4.340 0.005 0.000 0.259 418 Q C -0.846 175.248 176.000 0.158 0.000 0.993 418 Q CA -0.138 55.678 55.803 0.023 0.000 0.854 418 Q CB 0.621 29.055 28.738 -0.505 0.000 1.231 418 Q HN 0.292 nan 8.270 nan 0.000 0.462 419 D N 2.888 123.444 120.400 0.259 0.000 2.341 419 D HA 0.157 4.800 4.640 0.005 0.000 0.245 419 D C -0.363 176.007 176.300 0.116 0.000 1.106 419 D CA 0.112 54.264 54.000 0.253 0.000 0.905 419 D CB 0.421 41.322 40.800 0.169 0.000 1.202 419 D HN 0.410 nan 8.370 nan 0.000 0.426 420 F N 0.635 120.812 119.950 0.379 0.000 2.444 420 F HA 0.113 4.643 4.527 0.005 0.000 0.331 420 F C 1.457 177.204 175.800 -0.088 0.000 1.167 420 F CA -0.379 57.816 58.000 0.326 0.000 1.262 420 F CB 0.411 39.772 39.000 0.602 0.000 1.196 420 F HN 0.036 nan 8.300 nan 0.000 0.583 421 M N 3.673 123.026 119.600 -0.411 0.000 3.596 421 M HA 0.183 4.666 4.480 0.005 0.000 0.219 421 M C -1.507 174.202 176.300 -0.984 0.000 1.471 421 M CA 0.352 55.167 55.300 -0.808 0.000 1.644 421 M CB -1.702 30.139 32.600 -1.265 0.000 1.083 421 M HN 0.282 nan 8.290 nan 0.000 0.579 422 F N 0.521 120.388 119.950 -0.137 0.000 2.547 422 F HA 0.723 5.252 4.527 0.005 0.000 0.316 422 F C -0.130 175.708 175.800 0.064 0.000 1.121 422 F CA -1.007 56.916 58.000 -0.129 0.000 0.911 422 F CB 1.835 40.797 39.000 -0.062 0.000 1.179 422 F HN 0.322 nan 8.300 nan 0.000 0.443 423 A N 1.170 124.271 122.820 0.469 0.000 2.465 423 A HA 0.592 4.915 4.320 0.005 0.000 0.292 423 A C 0.060 177.970 177.584 0.543 0.000 1.041 423 A CA -0.693 51.553 52.037 0.348 0.000 0.718 423 A CB 0.687 19.676 19.000 -0.019 0.000 1.266 423 A HN 1.118 nan 8.150 nan 0.000 0.403 424 C N 0.144 119.712 119.300 0.446 0.000 4.663 424 C HA -0.126 4.337 4.460 0.005 0.000 0.272 424 C C 0.942 176.157 174.990 0.374 0.000 1.566 424 C CA 1.626 60.908 59.018 0.441 0.000 1.735 424 C CB -2.340 25.749 27.740 0.582 0.000 1.857 424 C HN 1.581 nan 8.230 nan 0.000 0.674 425 T N 0.753 115.481 114.554 0.290 0.000 2.909 425 T HA 0.601 4.954 4.350 0.005 0.000 0.299 425 T C -2.687 172.117 174.700 0.174 0.000 1.073 425 T CA -1.187 61.007 62.100 0.157 0.000 0.999 425 T CB 2.375 71.175 68.868 -0.113 0.000 1.098 425 T HN 0.065 nan 8.240 nan 0.000 0.477 426 P HA 0.231 nan 4.420 nan 0.000 0.271 426 P C -1.226 176.112 177.300 0.064 0.000 1.233 426 P CA -0.115 63.168 63.100 0.306 0.000 0.789 426 P CB 0.570 32.434 31.700 0.272 0.000 0.951 427 Y N -0.574 119.803 120.300 0.129 0.000 2.598 427 Y HA 0.435 4.988 4.550 0.005 0.000 0.340 427 Y C -1.666 174.073 175.900 -0.269 0.000 1.038 427 Y CA -2.303 55.673 58.100 -0.206 0.000 1.100 427 Y CB 0.827 39.346 38.460 0.099 0.000 1.281 427 Y HN 0.267 nan 8.280 nan 0.000 0.488 428 P HA 0.043 nan 4.420 nan 0.000 0.270 428 P C -0.324 176.884 177.300 -0.153 0.000 1.227 428 P CA 0.247 63.141 63.100 -0.343 0.000 0.788 428 P CB 0.550 31.846 31.700 -0.673 0.000 0.926 429 S N -2.228 113.471 115.700 -0.001 0.000 3.082 429 S HA 0.096 4.569 4.470 0.005 0.000 0.253 429 S C 0.001 174.630 174.600 0.049 0.000 0.961 429 S CA -0.692 57.534 58.200 0.042 0.000 1.129 429 S CB -0.655 62.502 63.200 -0.070 0.000 1.083 429 S HN 0.496 nan 8.310 nan 0.000 0.605 430 D N 1.685 122.141 120.400 0.093 0.000 2.368 430 D HA 0.150 4.793 4.640 0.005 0.000 0.240 430 D C -1.993 174.369 176.300 0.103 0.000 1.169 430 D CA -1.051 53.002 54.000 0.089 0.000 0.906 430 D CB 0.661 41.521 40.800 0.100 0.000 1.187 430 D HN -0.037 nan 8.370 nan 0.000 0.435 431 P HA -0.186 nan 4.420 nan 0.000 0.215 431 P C 1.694 179.027 177.300 0.054 0.000 1.157 431 P CA 2.510 65.632 63.100 0.036 0.000 0.874 431 P CB -0.137 31.576 31.700 0.023 0.000 0.790 432 T N -3.847 110.758 114.554 0.085 0.000 2.867 432 T HA -0.168 4.185 4.350 0.005 0.000 0.268 432 T C 1.716 176.498 174.700 0.136 0.000 1.057 432 T CA 0.709 62.864 62.100 0.091 0.000 1.136 432 T CB -1.396 67.527 68.868 0.092 0.000 0.874 432 T HN -0.039 nan 8.240 nan 0.000 0.466 433 F N 1.928 121.901 119.950 0.037 0.000 2.146 433 F HA 0.191 4.721 4.527 0.005 0.000 0.298 433 F C 1.996 177.800 175.800 0.007 0.000 1.096 433 F CA 0.917 58.948 58.000 0.053 0.000 1.275 433 F CB -0.338 38.710 39.000 0.079 0.000 1.008 433 F HN 0.064 nan 8.300 nan 0.000 0.480 434 L N -0.173 121.061 121.223 0.019 0.000 2.083 434 L HA -0.205 4.138 4.340 0.005 0.000 0.209 434 L C 2.400 179.171 176.870 -0.165 0.000 1.083 434 L CA 1.296 56.055 54.840 -0.134 0.000 0.752 434 L CB -0.681 41.320 42.059 -0.097 0.000 0.899 434 L HN 0.040 nan 8.230 nan 0.000 0.433 435 K N 0.463 120.808 120.400 -0.093 0.000 2.097 435 K HA -0.127 4.196 4.320 0.005 0.000 0.206 435 K C 2.172 178.709 176.600 -0.104 0.000 1.049 435 K CA 1.339 57.576 56.287 -0.084 0.000 0.933 435 K CB -0.052 32.426 32.500 -0.037 0.000 0.717 435 K HN 0.165 nan 8.250 nan 0.000 0.442 436 R N -0.623 119.804 120.500 -0.121 0.000 2.115 436 R HA -0.020 4.323 4.340 0.005 0.000 0.226 436 R C 2.096 178.285 176.300 -0.185 0.000 1.100 436 R CA 1.143 57.167 56.100 -0.126 0.000 0.980 436 R CB -0.266 29.977 30.300 -0.095 0.000 0.875 436 R HN 0.002 nan 8.270 nan 0.000 0.445 437 V N 1.266 120.998 119.914 -0.304 0.000 2.453 437 V HA -0.211 3.912 4.120 0.005 0.000 0.247 437 V C 2.332 178.304 176.094 -0.203 0.000 1.048 437 V CA 1.706 63.856 62.300 -0.250 0.000 1.049 437 V CB -0.436 31.184 31.823 -0.337 0.000 0.672 437 V HN 0.367 nan 8.190 nan 0.000 0.457 438 E N 0.509 120.579 120.200 -0.217 0.000 2.070 438 E HA -0.283 4.070 4.350 0.005 0.000 0.197 438 E C 2.261 178.753 176.600 -0.181 0.000 1.004 438 E CA 1.607 57.885 56.400 -0.204 0.000 0.805 438 E CB -0.242 29.359 29.700 -0.164 0.000 0.744 438 E HN 0.551 nan 8.360 nan 0.000 0.451 439 A N 1.673 124.409 122.820 -0.140 0.000 1.873 439 A HA -0.310 4.013 4.320 0.005 0.000 0.218 439 A C 2.126 179.638 177.584 -0.120 0.000 1.193 439 A CA 2.109 54.072 52.037 -0.122 0.000 0.629 439 A CB -0.894 18.053 19.000 -0.088 0.000 0.826 439 A HN 0.599 nan 8.150 nan 0.000 0.447 440 E N -0.014 120.128 120.200 -0.096 0.000 2.110 440 E HA -0.103 4.249 4.350 0.005 0.000 0.193 440 E C 2.016 178.535 176.600 -0.136 0.000 0.988 440 E CA 1.231 57.594 56.400 -0.062 0.000 0.804 440 E CB -0.322 29.408 29.700 0.051 0.000 0.745 440 E HN 0.505 nan 8.360 nan 0.000 0.458 441 A N 1.028 123.752 122.820 -0.161 0.000 1.872 441 A HA -0.066 4.257 4.320 0.005 0.000 0.214 441 A C 2.470 179.873 177.584 -0.303 0.000 1.187 441 A CA 1.311 53.241 52.037 -0.178 0.000 0.614 441 A CB -0.692 18.110 19.000 -0.330 0.000 0.826 441 A HN 0.205 nan 8.150 nan 0.000 0.442 442 V N -1.150 118.538 119.914 -0.376 0.000 2.287 442 V HA -0.305 3.818 4.120 0.005 0.000 0.248 442 V C 2.365 178.189 176.094 -0.450 0.000 1.053 442 V CA 2.266 64.199 62.300 -0.611 0.000 1.027 442 V CB -1.092 30.311 31.823 -0.701 0.000 0.646 442 V HN 0.702 nan 8.190 nan 0.000 0.447 443 Y N 1.729 121.804 120.300 -0.375 0.000 2.097 443 Y HA -0.247 4.306 4.550 0.005 0.000 0.282 443 Y C 2.569 178.302 175.900 -0.278 0.000 1.152 443 Y CA 2.209 60.130 58.100 -0.297 0.000 1.136 443 Y CB -0.404 37.904 38.460 -0.254 0.000 0.975 443 Y HN 0.271 nan 8.280 nan 0.000 0.498 444 N N 0.224 118.734 118.700 -0.317 0.000 2.270 444 N HA -0.118 4.625 4.740 0.005 0.000 0.181 444 N C 1.950 177.321 175.510 -0.232 0.000 1.016 444 N CA 1.551 54.383 53.050 -0.364 0.000 0.870 444 N CB -0.176 37.991 38.487 -0.533 0.000 0.979 444 N HN 0.431 nan 8.380 nan 0.000 0.431 445 I N 1.486 121.891 120.570 -0.276 0.000 2.127 445 I HA -0.258 3.915 4.170 0.005 0.000 0.241 445 I C 2.410 178.395 176.117 -0.220 0.000 1.075 445 I CA 1.268 62.449 61.300 -0.199 0.000 1.334 445 I CB -0.143 37.620 38.000 -0.396 0.000 1.040 445 I HN 0.025 nan 8.210 nan 0.000 0.405 446 R N 0.056 120.339 120.500 -0.361 0.000 2.096 446 R HA -0.160 4.183 4.340 0.005 0.000 0.235 446 R C 2.426 178.515 176.300 -0.352 0.000 1.127 446 R CA 1.119 57.005 56.100 -0.356 0.000 0.968 446 R CB -0.375 29.718 30.300 -0.344 0.000 0.861 446 R HN 0.308 nan 8.270 nan 0.000 0.440 447 R N 0.826 121.060 120.500 -0.443 0.000 2.096 447 R HA -0.086 4.257 4.340 0.005 0.000 0.235 447 R C 1.620 177.752 176.300 -0.280 0.000 1.127 447 R CA 1.307 57.158 56.100 -0.416 0.000 0.968 447 R CB 0.045 29.989 30.300 -0.593 0.000 0.861 447 R HN 0.211 nan 8.270 nan 0.000 0.440 448 L N 0.107 121.187 121.223 -0.238 0.000 2.609 448 L HA 0.156 4.499 4.340 0.005 0.000 0.230 448 L C 2.060 178.851 176.870 -0.133 0.000 1.087 448 L CA -0.040 54.684 54.840 -0.192 0.000 0.874 448 L CB 0.001 41.841 42.059 -0.366 0.000 1.114 448 L HN 0.174 nan 8.230 nan 0.000 0.488 449 R N -0.271 120.137 120.500 -0.152 0.000 2.285 449 R HA -0.047 4.296 4.340 0.005 0.000 0.213 449 R C 0.917 177.114 176.300 -0.172 0.000 1.068 449 R CA 0.949 56.975 56.100 -0.122 0.000 1.004 449 R CB -0.455 29.725 30.300 -0.200 0.000 0.873 449 R HN 0.333 nan 8.270 nan 0.000 0.467 450 N N 0.458 118.939 118.700 -0.365 0.000 2.336 450 N HA -0.012 4.731 4.740 0.005 0.000 0.189 450 N C -0.438 174.776 175.510 -0.494 0.000 1.113 450 N CA 0.209 52.959 53.050 -0.501 0.000 0.858 450 N CB 0.136 38.061 38.487 -0.937 0.000 0.970 450 N HN 0.308 nan 8.380 nan 0.000 0.471 451 H N 0.507 119.410 119.070 -0.279 0.000 2.690 451 H HA 0.197 4.756 4.556 0.005 0.000 0.314 451 H C 1.023 176.157 175.328 -0.322 0.000 1.069 451 H CA -0.247 55.653 56.048 -0.247 0.000 1.436 451 H CB 1.572 31.232 29.762 -0.170 0.000 1.462 451 H HN 0.058 nan 8.280 nan 0.000 0.511 452 A N 3.335 125.956 122.820 -0.333 0.000 1.948 452 A HA -0.227 4.096 4.320 0.005 0.000 0.220 452 A C 2.338 179.402 177.584 -0.865 0.000 1.177 452 A CA 2.034 53.618 52.037 -0.755 0.000 0.636 452 A CB -0.489 17.744 19.000 -1.278 0.000 0.815 452 A HN 0.730 nan 8.150 nan 0.000 0.449 453 S N -0.947 114.460 115.700 -0.487 0.000 2.428 453 S HA 0.062 4.535 4.470 0.005 0.000 0.230 453 S C 0.712 175.232 174.600 -0.133 0.000 1.014 453 S CA 0.415 58.465 58.200 -0.251 0.000 0.957 453 S CB -0.685 62.517 63.200 0.004 0.000 0.784 453 S HN 0.421 nan 8.310 nan 0.000 0.499 454 L N 2.030 123.180 121.223 -0.123 0.000 2.562 454 L HA 0.480 4.823 4.340 0.005 0.000 0.271 454 L C 0.883 177.675 176.870 -0.130 0.000 1.167 454 L CA 0.142 54.902 54.840 -0.135 0.000 0.917 454 L CB 0.248 42.192 42.059 -0.191 0.000 1.187 454 L HN 0.204 nan 8.230 nan 0.000 0.482 455 A N 6.464 129.235 122.820 -0.082 0.000 2.013 455 A HA 0.451 4.774 4.320 0.005 0.000 0.204 455 A C 0.494 178.112 177.584 0.056 0.000 1.262 455 A CA 0.907 52.965 52.037 0.034 0.000 0.800 455 A CB 0.063 19.132 19.000 0.114 0.000 0.909 455 A HN 0.777 nan 8.150 nan 0.000 0.472 456 M N -4.539 115.019 119.600 -0.070 0.000 2.895 456 M HA 0.623 5.106 4.480 0.005 0.000 0.271 456 M C -2.311 173.821 176.300 -0.279 0.000 1.174 456 M CA -0.689 54.572 55.300 -0.064 0.000 0.816 456 M CB 0.978 33.595 32.600 0.028 0.000 1.647 456 M HN 0.070 nan 8.290 nan 0.000 0.506 457 W N 0.648 121.927 121.300 -0.036 0.000 2.666 457 W HA 0.763 5.426 4.660 0.005 0.000 0.334 457 W C -1.100 175.359 176.519 -0.101 0.000 1.051 457 W CA -0.407 56.923 57.345 -0.026 0.000 1.224 457 W CB 2.054 31.609 29.460 0.159 0.000 1.405 457 W HN 0.863 nan 8.180 nan 0.000 0.513 458 C N 2.376 121.822 119.300 0.244 0.000 2.431 458 C HA 0.597 5.060 4.460 0.005 0.000 0.321 458 C C 1.517 176.724 174.990 0.362 0.000 1.202 458 C CA 0.001 59.079 59.018 0.100 0.000 1.398 458 C CB 0.358 28.289 27.740 0.318 0.000 2.047 458 C HN 0.994 nan 8.230 nan 0.000 0.465 459 G N 4.070 112.976 108.800 0.177 0.000 2.450 459 G HA2 0.039 4.002 3.960 0.005 0.000 0.220 459 G HA3 0.039 4.002 3.960 0.005 0.000 0.220 459 G C 0.274 175.457 174.900 0.472 0.000 1.130 459 G CA 1.376 46.841 45.100 0.609 0.000 0.760 459 G HN 1.116 nan 8.290 nan 0.000 0.557 460 N N -2.686 116.124 118.700 0.185 0.000 3.355 460 N HA 0.160 4.903 4.740 0.005 0.000 0.238 460 N C -1.641 173.950 175.510 0.135 0.000 1.466 460 N CA -0.899 52.225 53.050 0.123 0.000 0.882 460 N CB 0.477 38.803 38.487 -0.268 0.000 1.406 460 N HN -0.030 nan 8.380 nan 0.000 0.500 461 N N -0.029 118.756 118.700 0.141 0.000 2.457 461 N HA 0.281 5.023 4.740 0.005 0.000 0.250 461 N C -0.904 174.734 175.510 0.213 0.000 0.982 461 N CA -0.135 53.054 53.050 0.231 0.000 0.941 461 N CB 0.373 38.992 38.487 0.220 0.000 1.120 461 N HN 0.756 nan 8.380 nan 0.000 0.505 462 E N 1.442 121.722 120.200 0.133 0.000 3.496 462 E HA -0.267 4.086 4.350 0.005 0.000 0.300 462 E C 0.567 177.070 176.600 -0.161 0.000 0.877 462 E CA 0.570 56.968 56.400 -0.003 0.000 1.050 462 E CB -1.240 28.557 29.700 0.161 0.000 1.532 462 E HN 0.679 nan 8.360 nan 0.000 0.447 463 I N -0.190 120.353 120.570 -0.045 0.000 2.286 463 I HA -0.208 3.965 4.170 0.005 0.000 0.245 463 I C 2.361 178.382 176.117 -0.161 0.000 1.104 463 I CA 0.948 62.242 61.300 -0.010 0.000 1.397 463 I CB -0.181 37.902 38.000 0.138 0.000 1.072 463 I HN 0.147 nan 8.210 nan 0.000 0.417 464 L N 1.067 122.161 121.223 -0.214 0.000 2.093 464 L HA -0.180 4.163 4.340 0.005 0.000 0.208 464 L C 2.416 179.046 176.870 -0.400 0.000 1.085 464 L CA 1.802 56.378 54.840 -0.440 0.000 0.755 464 L CB -0.667 41.180 42.059 -0.354 0.000 0.904 464 L HN 0.218 nan 8.230 nan 0.000 0.435 465 E N -0.517 119.480 120.200 -0.339 0.000 2.085 465 E HA -0.273 4.080 4.350 0.005 0.000 0.194 465 E C 2.103 178.238 176.600 -0.775 0.000 0.994 465 E CA 1.295 57.483 56.400 -0.353 0.000 0.801 465 E CB -0.174 29.388 29.700 -0.230 0.000 0.743 465 E HN 0.605 nan 8.360 nan 0.000 0.453 466 A N 1.006 123.153 122.820 -1.121 0.000 1.883 466 A HA -0.189 4.134 4.320 0.005 0.000 0.217 466 A C 2.227 179.280 177.584 -0.884 0.000 1.186 466 A CA 1.398 52.617 52.037 -1.362 0.000 0.624 466 A CB -0.766 17.795 19.000 -0.731 0.000 0.822 466 A HN 0.339 nan 8.150 nan 0.000 0.444 467 L N -1.202 119.749 121.223 -0.453 0.000 2.083 467 L HA -0.185 4.158 4.340 0.005 0.000 0.209 467 L C 2.586 179.313 176.870 -0.239 0.000 1.083 467 L CA 1.709 56.432 54.840 -0.195 0.000 0.752 467 L CB -0.271 41.682 42.059 -0.177 0.000 0.899 467 L HN 0.370 nan 8.230 nan 0.000 0.433 468 K N -1.533 118.574 120.400 -0.488 0.000 2.137 468 K HA -0.044 4.279 4.320 0.005 0.000 0.202 468 K C 1.198 177.404 176.600 -0.656 0.000 1.052 468 K CA 1.030 56.913 56.287 -0.674 0.000 0.961 468 K CB 0.220 31.990 32.500 -1.217 0.000 0.741 468 K HN 0.175 nan 8.250 nan 0.000 0.452 469 Y N -2.735 117.425 120.300 -0.234 0.000 2.432 469 Y HA 0.112 4.665 4.550 0.005 0.000 0.252 469 Y C 0.632 176.558 175.900 0.043 0.000 1.097 469 Y CA -0.759 57.278 58.100 -0.104 0.000 1.250 469 Y CB 0.422 38.840 38.460 -0.070 0.000 1.245 469 Y HN 0.069 nan 8.280 nan 0.000 0.522 470 W N 0.547 121.668 121.300 -0.297 0.000 3.330 470 W HA 0.526 5.189 4.660 0.005 0.000 0.348 470 W C 1.309 177.667 176.519 -0.268 0.000 1.205 470 W CA 0.107 57.258 57.345 -0.322 0.000 1.841 470 W CB -0.387 28.828 29.460 -0.409 0.000 1.084 470 W HN 0.201 nan 8.180 nan 0.000 0.665 471 G N -0.225 108.559 108.800 -0.027 0.000 2.132 471 G HA2 -0.342 3.621 3.960 0.005 0.000 0.234 471 G HA3 -0.342 3.621 3.960 0.005 0.000 0.234 471 G C 0.716 175.740 174.900 0.207 0.000 0.989 471 G CA 0.099 45.236 45.100 0.063 0.000 0.676 471 G HN 0.079 nan 8.290 nan 0.000 0.522 472 F N 0.711 120.768 119.950 0.178 0.000 2.250 472 F HA 0.036 4.566 4.527 0.005 0.000 0.301 472 F C 2.274 178.170 175.800 0.161 0.000 1.077 472 F CA 1.248 59.416 58.000 0.280 0.000 1.348 472 F CB -0.582 38.714 39.000 0.494 0.000 1.040 472 F HN 0.487 nan 8.300 nan 0.000 0.509 473 E N 0.562 120.781 120.200 0.032 0.000 2.409 473 E HA -0.167 4.186 4.350 0.005 0.000 0.198 473 E C 2.062 178.586 176.600 -0.127 0.000 1.024 473 E CA 1.116 57.321 56.400 -0.326 0.000 0.861 473 E CB 0.115 29.439 29.700 -0.628 0.000 0.788 473 E HN 0.281 nan 8.360 nan 0.000 0.521 474 K N -0.405 119.968 120.400 -0.046 0.000 2.393 474 K HA 0.130 4.453 4.320 0.005 0.000 0.193 474 K C 1.265 177.804 176.600 -0.102 0.000 1.026 474 K CA 0.292 56.545 56.287 -0.057 0.000 1.064 474 K CB 0.030 32.508 32.500 -0.037 0.000 0.833 474 K HN 0.112 nan 8.250 nan 0.000 0.521 475 K N -0.662 119.640 120.400 -0.163 0.000 2.354 475 K HA 0.327 4.650 4.320 0.005 0.000 0.194 475 K C -0.605 175.491 176.600 -0.841 0.000 1.045 475 K CA 0.126 56.106 56.287 -0.511 0.000 1.026 475 K CB 0.262 32.346 32.500 -0.692 0.000 0.866 475 K HN 0.287 nan 8.250 nan 0.000 0.530 476 F N 0.484 120.415 119.950 -0.032 0.000 2.620 476 F HA 0.164 4.694 4.527 0.005 0.000 0.320 476 F C 0.631 176.389 175.800 -0.069 0.000 1.069 476 F CA -1.459 56.485 58.000 -0.092 0.000 0.953 476 F CB 0.947 39.837 39.000 -0.183 0.000 1.322 476 F HN -0.187 nan 8.300 nan 0.000 0.479 477 T N -1.375 113.248 114.554 0.114 0.000 2.855 477 T HA 0.130 4.483 4.350 0.005 0.000 0.314 477 T C -2.064 172.683 174.700 0.078 0.000 1.077 477 T CA -1.053 61.081 62.100 0.057 0.000 1.095 477 T CB 0.768 69.656 68.868 0.032 0.000 0.987 477 T HN 0.311 nan 8.240 nan 0.000 0.546 478 P HA -0.077 nan 4.420 nan 0.000 0.216 478 P C 1.311 178.663 177.300 0.087 0.000 1.150 478 P CA 1.036 64.181 63.100 0.075 0.000 0.843 478 P CB 0.053 31.776 31.700 0.038 0.000 0.787 479 E N -0.786 119.439 120.200 0.041 0.000 2.051 479 E HA -0.119 4.234 4.350 0.005 0.000 0.192 479 E C 2.049 178.634 176.600 -0.025 0.000 0.991 479 E CA 0.991 57.400 56.400 0.015 0.000 0.799 479 E CB -1.302 28.404 29.700 0.009 0.000 0.748 479 E HN 0.004 nan 8.360 nan 0.000 0.449 480 V N 0.225 120.090 119.914 -0.081 0.000 2.427 480 V HA -0.242 3.881 4.120 0.005 0.000 0.248 480 V C 1.949 177.870 176.094 -0.289 0.000 1.051 480 V CA 1.702 63.826 62.300 -0.293 0.000 1.048 480 V CB -0.498 30.991 31.823 -0.557 0.000 0.666 480 V HN 0.321 nan 8.190 nan 0.000 0.456 481 Y N 0.689 120.869 120.300 -0.199 0.000 2.181 481 Y HA -0.248 4.305 4.550 0.005 0.000 0.288 481 Y C 2.695 178.551 175.900 -0.074 0.000 1.146 481 Y CA 1.814 59.841 58.100 -0.122 0.000 1.164 481 Y CB -0.096 38.367 38.460 0.005 0.000 0.982 481 Y HN 0.185 nan 8.280 nan 0.000 0.515 482 Q N -0.169 119.622 119.800 -0.014 0.000 2.079 482 Q HA -0.094 4.248 4.340 0.005 0.000 0.200 482 Q C 2.558 178.516 176.000 -0.069 0.000 0.974 482 Q CA 1.386 57.162 55.803 -0.045 0.000 0.840 482 Q CB -1.118 27.635 28.738 0.025 0.000 0.898 482 Q HN 0.635 nan 8.270 nan 0.000 0.430 483 G N 0.689 109.448 108.800 -0.068 0.000 2.440 483 G HA2 -0.211 3.752 3.960 0.005 0.000 0.218 483 G HA3 -0.211 3.752 3.960 0.005 0.000 0.218 483 G C 1.558 176.424 174.900 -0.058 0.000 1.154 483 G CA 0.623 45.708 45.100 -0.026 0.000 0.767 483 G HN 0.302 nan 8.290 nan 0.000 0.552 484 L N -0.063 121.048 121.223 -0.187 0.000 2.046 484 L HA -0.082 4.261 4.340 0.005 0.000 0.208 484 L C 3.116 179.926 176.870 -0.101 0.000 1.077 484 L CA 0.750 55.495 54.840 -0.159 0.000 0.747 484 L CB -0.386 41.489 42.059 -0.306 0.000 0.896 484 L HN 0.155 nan 8.230 nan 0.000 0.432 485 M N -0.987 118.476 119.600 -0.229 0.000 2.086 485 M HA -0.242 4.241 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 1.756 56.972 55.300 -0.140 0.000 1.116 485 M CB -1.445 31.012 32.600 -0.239 0.000 1.348 485 M HN 0.388 nan 8.290 nan 0.000 0.407 486 H N -0.394 118.651 119.070 -0.041 0.000 2.389 486 H HA -0.082 4.477 4.556 0.005 0.000 0.299 486 H C 1.943 177.285 175.328 0.023 0.000 1.081 486 H CA 1.308 57.353 56.048 -0.004 0.000 1.345 486 H CB 0.153 29.904 29.762 -0.018 0.000 1.393 486 H HN 0.391 nan 8.280 nan 0.000 0.520 487 G N -0.275 108.491 108.800 -0.057 0.000 2.422 487 G HA2 -0.331 3.632 3.960 0.005 0.000 0.218 487 G HA3 -0.331 3.632 3.960 0.005 0.000 0.218 487 G C 1.552 176.436 174.900 -0.027 0.000 1.146 487 G CA 0.713 45.753 45.100 -0.101 0.000 0.769 487 G HN 0.525 nan 8.290 nan 0.000 0.547 488 Y N 1.906 122.218 120.300 0.020 0.000 2.081 488 Y HA -0.205 4.348 4.550 0.005 0.000 0.280 488 Y C 2.523 178.481 175.900 0.097 0.000 1.163 488 Y CA 2.252 60.449 58.100 0.162 0.000 1.135 488 Y CB -0.098 38.439 38.460 0.128 0.000 0.970 488 Y HN 0.195 nan 8.280 nan 0.000 0.498 489 D N 0.012 120.510 120.400 0.164 0.000 2.123 489 D HA -0.174 4.469 4.640 0.005 0.000 0.196 489 D C 2.057 178.283 176.300 -0.125 0.000 0.992 489 D CA 1.579 55.614 54.000 0.059 0.000 0.833 489 D CB -0.271 40.602 40.800 0.121 0.000 0.954 489 D HN 0.388 nan 8.370 nan 0.000 0.455 490 K N -0.276 120.001 120.400 -0.205 0.000 2.063 490 K HA -0.133 4.190 4.320 0.005 0.000 0.208 490 K C 1.911 178.299 176.600 -0.354 0.000 1.048 490 K CA 0.585 56.712 56.287 -0.266 0.000 0.928 490 K CB -0.064 32.241 32.500 -0.326 0.000 0.713 490 K HN 0.049 nan 8.250 nan 0.000 0.442 491 L N -0.492 120.418 121.223 -0.523 0.000 2.071 491 L HA 0.042 4.385 4.340 0.005 0.000 0.201 491 L C 1.582 177.908 176.870 -0.906 0.000 1.076 491 L CA 1.681 56.004 54.840 -0.862 0.000 0.755 491 L CB -0.320 40.939 42.059 -1.333 0.000 0.915 491 L HN 0.008 nan 8.230 nan 0.000 0.445 492 F N -0.531 119.120 119.950 -0.499 0.000 2.698 492 F HA 0.217 4.747 4.527 0.005 0.000 0.295 492 F C 2.114 177.837 175.800 -0.129 0.000 1.124 492 F CA 0.338 58.116 58.000 -0.371 0.000 1.426 492 F CB -0.224 38.376 39.000 -0.667 0.000 1.120 492 F HN -0.021 nan 8.300 nan 0.000 0.583 493 R N -0.438 120.035 120.500 -0.045 0.000 2.397 493 R HA 0.189 4.532 4.340 0.005 0.000 0.241 493 R C 0.734 176.982 176.300 -0.086 0.000 0.914 493 R CA 0.334 56.432 56.100 -0.003 0.000 1.071 493 R CB 0.368 30.668 30.300 -0.000 0.000 1.116 493 R HN 0.321 nan 8.270 nan 0.000 0.524 494 E N -0.108 119.988 120.200 -0.172 0.000 3.312 494 E HA 0.025 4.378 4.350 0.005 0.000 0.178 494 E C 1.193 177.635 176.600 -0.263 0.000 1.204 494 E CA -0.256 56.031 56.400 -0.189 0.000 1.335 494 E CB -0.107 29.501 29.700 -0.154 0.000 1.680 494 E HN -0.073 nan 8.360 nan 0.000 0.503 495 L N 1.958 122.994 121.223 -0.312 0.000 1.989 495 L HA -0.130 4.213 4.340 0.005 0.000 0.211 495 L C 2.036 178.647 176.870 -0.432 0.000 1.071 495 L CA 1.782 56.418 54.840 -0.341 0.000 0.749 495 L CB -0.498 41.341 42.059 -0.366 0.000 0.890 495 L HN 0.175 nan 8.230 nan 0.000 0.431 496 L N 0.019 120.912 121.223 -0.550 0.000 2.027 496 L HA -0.094 4.249 4.340 0.005 0.000 0.206 496 L C -0.150 176.202 176.870 -0.864 0.000 1.074 496 L CA 1.395 55.795 54.840 -0.732 0.000 0.745 496 L CB -2.149 39.463 42.059 -0.744 0.000 0.898 496 L HN 0.285 nan 8.230 nan 0.000 0.433 497 P HA -0.161 nan 4.420 nan 0.000 0.216 497 P C 1.706 178.715 177.300 -0.485 0.000 1.150 497 P CA 1.973 64.506 63.100 -0.944 0.000 0.837 497 P CB -0.065 31.294 31.700 -0.568 0.000 0.786 498 S N -1.044 114.438 115.700 -0.363 0.000 2.402 498 S HA -0.103 4.370 4.470 0.005 0.000 0.229 498 S C 1.955 176.422 174.600 -0.223 0.000 1.021 498 S CA 1.776 59.828 58.200 -0.248 0.000 0.974 498 S CB -1.929 61.152 63.200 -0.200 0.000 0.800 498 S HN 0.125 nan 8.310 nan 0.000 0.484 499 T N 2.186 116.589 114.554 -0.251 0.000 2.857 499 T HA 0.055 4.408 4.350 0.005 0.000 0.266 499 T C 1.909 176.545 174.700 -0.107 0.000 1.048 499 T CA 1.193 63.222 62.100 -0.118 0.000 1.139 499 T CB -0.498 68.248 68.868 -0.202 0.000 0.874 499 T HN 0.285 nan 8.240 nan 0.000 0.455 500 V N 1.383 121.128 119.914 -0.281 0.000 2.343 500 V HA -0.178 3.945 4.120 0.005 0.000 0.247 500 V C 2.691 178.695 176.094 -0.150 0.000 1.051 500 V CA 1.697 63.843 62.300 -0.257 0.000 1.036 500 V CB -0.661 30.982 31.823 -0.301 0.000 0.654 500 V HN 0.378 nan 8.190 nan 0.000 0.451 501 K N -0.297 119.998 120.400 -0.174 0.000 2.063 501 K HA -0.243 4.080 4.320 0.005 0.000 0.208 501 K C 2.221 178.723 176.600 -0.164 0.000 1.048 501 K CA 2.123 58.326 56.287 -0.140 0.000 0.928 501 K CB -0.397 32.016 32.500 -0.145 0.000 0.713 501 K HN 0.784 nan 8.250 nan 0.000 0.442 502 E N -1.842 118.217 120.200 -0.236 0.000 2.047 502 E HA -0.108 4.245 4.350 0.005 0.000 0.191 502 E C 1.565 177.838 176.600 -0.545 0.000 0.987 502 E CA 1.773 57.902 56.400 -0.452 0.000 0.799 502 E CB -0.089 29.203 29.700 -0.679 0.000 0.752 502 E HN 0.602 nan 8.360 nan 0.000 0.449 503 F N -0.643 119.206 119.950 -0.168 0.000 2.720 503 F HA 0.231 4.761 4.527 0.005 0.000 0.301 503 F C 0.516 176.177 175.800 -0.232 0.000 1.103 503 F CA -0.104 57.769 58.000 -0.210 0.000 1.291 503 F CB 0.966 39.815 39.000 -0.251 0.000 1.086 503 F HN -0.119 nan 8.300 nan 0.000 0.592 504 D N -0.732 119.667 120.400 -0.002 0.000 2.968 504 D HA 0.098 4.741 4.640 0.005 0.000 0.301 504 D C 0.866 177.211 176.300 0.074 0.000 1.226 504 D CA 0.206 54.238 54.000 0.054 0.000 0.746 504 D CB 0.249 41.129 40.800 0.132 0.000 1.278 504 D HN 0.017 nan 8.370 nan 0.000 0.544 505 S N -0.736 114.995 115.700 0.051 0.000 2.515 505 S HA -0.052 4.421 4.470 0.005 0.000 0.231 505 S C 0.967 175.593 174.600 0.044 0.000 0.987 505 S CA 0.453 58.664 58.200 0.019 0.000 0.936 505 S CB 0.347 63.540 63.200 -0.012 0.000 0.766 505 S HN 0.179 nan 8.310 nan 0.000 0.528 506 D N 0.991 121.435 120.400 0.073 0.000 2.368 506 D HA 0.241 4.884 4.640 0.005 0.000 0.218 506 D C 0.142 176.497 176.300 0.092 0.000 1.112 506 D CA 0.030 54.069 54.000 0.065 0.000 0.834 506 D CB 0.354 41.181 40.800 0.045 0.000 0.953 506 D HN 0.373 nan 8.370 nan 0.000 0.505 507 R N 0.239 120.823 120.500 0.140 0.000 2.532 507 R HA 0.298 4.641 4.340 0.005 0.000 0.295 507 R C -0.373 176.071 176.300 0.240 0.000 0.968 507 R CA -0.808 55.409 56.100 0.194 0.000 0.916 507 R CB 1.567 32.032 30.300 0.274 0.000 1.124 507 R HN -0.121 nan 8.270 nan 0.000 0.463 508 F N 3.194 123.166 119.950 0.037 0.000 2.518 508 F HA 0.098 4.628 4.527 0.006 0.000 0.359 508 F C -0.811 175.072 175.800 0.138 0.000 1.118 508 F CA 0.204 58.199 58.000 -0.007 0.000 1.287 508 F CB 0.352 39.230 39.000 -0.204 0.000 1.132 508 F HN 0.425 nan 8.300 nan 0.000 0.587 509 Y N 6.105 125.955 120.300 -0.749 0.000 2.425 509 Y HA 0.617 5.169 4.550 0.005 0.000 0.344 509 Y C -1.812 173.449 175.900 -1.064 0.000 0.969 509 Y CA -1.074 56.678 58.100 -0.580 0.000 1.052 509 Y CB 1.567 39.912 38.460 -0.192 0.000 1.215 509 Y HN 0.573 nan 8.280 nan 0.000 0.451 510 V N 6.494 125.653 119.914 -1.258 0.000 2.735 510 V HA 0.264 4.387 4.120 0.005 0.000 0.310 510 V C 0.186 175.688 176.094 -0.987 0.000 1.061 510 V CA -0.380 61.390 62.300 -0.884 0.000 0.913 510 V CB 1.471 33.096 31.823 -0.330 0.000 1.005 510 V HN 1.064 nan 8.190 nan 0.000 0.428 511 H N 3.309 122.116 119.070 -0.438 0.000 2.457 511 H HA 0.319 4.878 4.556 0.005 0.000 0.294 511 H C 0.765 176.070 175.328 -0.037 0.000 1.064 511 H CA 1.128 57.098 56.048 -0.131 0.000 1.330 511 H CB 0.150 30.025 29.762 0.190 0.000 1.395 511 H HN 0.555 nan 8.280 nan 0.000 0.541 512 S N -1.165 114.309 115.700 -0.377 0.000 2.567 512 S HA 0.464 4.937 4.470 0.005 0.000 0.270 512 S C -1.613 172.976 174.600 -0.019 0.000 1.152 512 S CA -0.490 57.642 58.200 -0.113 0.000 0.835 512 S CB 1.610 64.801 63.200 -0.014 0.000 1.115 512 S HN 0.396 nan 8.310 nan 0.000 0.459 513 S N 3.145 118.913 115.700 0.114 0.000 2.552 513 S HA 0.718 5.191 4.470 0.005 0.000 0.314 513 S C -2.910 171.581 174.600 -0.182 0.000 1.099 513 S CA -1.604 56.700 58.200 0.173 0.000 1.070 513 S CB 1.379 64.906 63.200 0.544 0.000 0.998 513 S HN 0.524 nan 8.310 nan 0.000 0.474 514 P HA 0.159 nan 4.420 nan 0.000 0.275 514 P C 0.157 177.377 177.300 -0.133 0.000 1.227 514 P CA -0.378 62.568 63.100 -0.257 0.000 0.781 514 P CB 0.325 31.861 31.700 -0.273 0.000 0.906 515 Y N 2.767 122.984 120.300 -0.139 0.000 2.314 515 Y HA 0.054 4.606 4.550 0.004 0.000 0.293 515 Y C 1.325 177.221 175.900 -0.007 0.000 1.129 515 Y CA 1.076 59.072 58.100 -0.174 0.000 1.201 515 Y CB -0.325 37.981 38.460 -0.256 0.000 0.999 515 Y HN 0.163 nan 8.280 nan 0.000 0.541 516 L N -0.432 120.643 121.223 -0.247 0.000 2.753 516 L HA 0.547 4.890 4.340 0.005 0.000 0.238 516 L C 0.800 177.661 176.870 -0.014 0.000 1.028 516 L CA 0.682 55.496 54.840 -0.044 0.000 0.966 516 L CB -0.583 41.475 42.059 -0.002 0.000 1.681 516 L HN 0.204 nan 8.230 nan 0.000 0.511 517 A N 2.057 124.818 122.820 -0.099 0.000 2.498 517 A HA 0.222 4.545 4.320 0.005 0.000 0.239 517 A C 0.043 177.704 177.584 0.128 0.000 1.068 517 A CA 0.208 52.288 52.037 0.072 0.000 0.766 517 A CB -0.166 18.899 19.000 0.107 0.000 1.003 517 A HN 0.552 nan 8.150 nan 0.000 0.497 518 N N 2.432 121.237 118.700 0.176 0.000 2.249 518 N HA 0.159 4.902 4.740 0.005 0.000 0.296 518 N C 0.799 176.496 175.510 0.311 0.000 1.051 518 N CA -0.668 52.437 53.050 0.090 0.000 0.815 518 N CB 1.023 39.289 38.487 -0.367 0.000 1.487 518 N HN 0.870 nan 8.380 nan 0.000 0.475 519 W N 3.041 124.518 121.300 0.296 0.000 2.465 519 W HA 0.123 4.785 4.660 0.005 0.000 0.268 519 W C 0.641 177.448 176.519 0.481 0.000 1.242 519 W CA 0.804 58.387 57.345 0.397 0.000 1.248 519 W CB -0.562 29.074 29.460 0.293 0.000 1.118 519 W HN 0.568 nan 8.180 nan 0.000 0.587 520 G N 1.248 109.937 108.800 -0.185 0.000 2.985 520 G HA2 0.047 4.010 3.960 0.005 0.000 0.209 520 G HA3 0.047 4.010 3.960 0.005 0.000 0.209 520 G C 0.679 175.508 174.900 -0.119 0.000 1.165 520 G CA -0.516 44.434 45.100 -0.249 0.000 0.776 520 G HN 0.149 nan 8.290 nan 0.000 0.541 521 R N 0.047 120.491 120.500 -0.093 0.000 2.547 521 R HA 0.234 4.577 4.340 0.005 0.000 0.280 521 R C -2.122 173.767 176.300 -0.685 0.000 1.630 521 R CA -1.475 54.445 56.100 -0.300 0.000 1.470 521 R CB 1.919 32.055 30.300 -0.274 0.000 1.178 521 R HN -0.037 nan 8.270 nan 0.000 0.591 522 P HA -0.245 nan 4.420 nan 0.000 0.221 522 P C 1.045 177.707 177.300 -1.063 0.000 1.145 522 P CA 1.073 62.907 63.100 -2.111 0.000 0.795 522 P CB 0.316 31.231 31.700 -1.308 0.000 0.775 523 E N 0.098 119.963 120.200 -0.559 0.000 2.338 523 E HA -0.109 4.244 4.350 0.005 0.000 0.197 523 E C 1.364 177.872 176.600 -0.154 0.000 1.007 523 E CA 1.551 57.794 56.400 -0.261 0.000 0.849 523 E CB -0.789 28.812 29.700 -0.164 0.000 0.774 523 E HN 0.346 nan 8.360 nan 0.000 0.506 524 S N -0.939 114.645 115.700 -0.192 0.000 2.535 524 S HA 0.040 4.513 4.470 0.005 0.000 0.214 524 S C 1.267 175.967 174.600 0.167 0.000 0.980 524 S CA -0.514 57.686 58.200 0.000 0.000 0.907 524 S CB -0.554 62.660 63.200 0.022 0.000 0.790 524 S HN 0.235 nan 8.310 nan 0.000 0.510 525 W N 2.460 123.798 121.300 0.062 0.000 2.465 525 W HA 0.346 5.008 4.660 0.004 0.000 0.268 525 W C 2.114 178.699 176.519 0.109 0.000 1.242 525 W CA 0.144 57.541 57.345 0.088 0.000 1.248 525 W CB -1.328 28.209 29.460 0.129 0.000 1.118 525 W HN 0.519 nan 8.180 nan 0.000 0.587 526 G N -0.447 108.552 108.800 0.331 0.000 2.920 526 G HA2 0.012 3.975 3.960 0.005 0.000 0.208 526 G HA3 0.012 3.975 3.960 0.005 0.000 0.208 526 G C 0.059 175.030 174.900 0.119 0.000 1.159 526 G CA 0.230 45.466 45.100 0.227 0.000 0.784 526 G HN 0.015 nan 8.290 nan 0.000 0.535 527 T N 1.084 115.700 114.554 0.103 0.000 2.874 527 T HA 0.569 4.922 4.350 0.005 0.000 0.321 527 T C 0.841 175.477 174.700 -0.106 0.000 1.075 527 T CA 0.279 62.412 62.100 0.055 0.000 0.966 527 T CB 1.101 70.005 68.868 0.059 0.000 1.001 527 T HN 0.799 nan 8.240 nan 0.000 0.476 528 G N 4.279 113.079 108.800 -0.001 0.000 2.569 528 G HA2 -0.199 3.764 3.960 0.005 0.000 0.259 528 G HA3 -0.199 3.764 3.960 0.005 0.000 0.259 528 G C -0.548 174.204 174.900 -0.246 0.000 1.263 528 G CA -0.085 44.933 45.100 -0.136 0.000 0.928 528 G HN 0.851 nan 8.290 nan 0.000 0.572 529 D N -0.089 119.994 120.400 -0.529 0.000 2.283 529 D HA 0.611 5.254 4.640 0.005 0.000 0.248 529 D C -0.190 176.054 176.300 -0.093 0.000 1.072 529 D CA 0.094 53.931 54.000 -0.273 0.000 0.929 529 D CB 1.556 42.109 40.800 -0.411 0.000 1.182 529 D HN 0.481 nan 8.370 nan 0.000 0.433 530 S N -0.519 115.220 115.700 0.065 0.000 2.513 530 S HA 0.266 4.739 4.470 0.005 0.000 0.299 530 S C -0.748 174.020 174.600 0.281 0.000 1.087 530 S CA -0.700 57.557 58.200 0.095 0.000 1.012 530 S CB 1.052 64.235 63.200 -0.028 0.000 1.044 530 S HN 0.394 nan 8.310 nan 0.000 0.485 531 H N 2.551 121.699 119.070 0.130 0.000 2.741 531 H HA 0.207 4.766 4.556 0.005 0.000 0.261 531 H C -0.283 175.088 175.328 0.073 0.000 1.365 531 H CA -0.589 55.547 56.048 0.146 0.000 1.266 531 H CB 0.324 30.335 29.762 0.416 0.000 1.485 531 H HN 0.317 nan 8.280 nan 0.000 0.529 532 N N 3.068 121.731 118.700 -0.062 0.000 2.508 532 N HA -0.051 4.692 4.740 0.005 0.000 0.253 532 N C -0.412 174.908 175.510 -0.317 0.000 1.145 532 N CA -0.257 52.729 53.050 -0.107 0.000 0.973 532 N CB 0.061 38.404 38.487 -0.240 0.000 1.305 532 N HN 0.560 nan 8.380 nan 0.000 0.506 533 W N 1.986 123.172 121.300 -0.189 0.000 3.269 533 W HA 0.361 5.024 4.660 0.005 0.000 0.413 533 W C 1.809 177.732 176.519 -0.994 0.000 1.057 533 W CA -0.694 56.399 57.345 -0.420 0.000 1.953 533 W CB 0.363 29.693 29.460 -0.217 0.000 1.053 533 W HN 0.611 nan 8.180 nan 0.000 0.753 534 G N 0.383 108.852 108.800 -0.552 0.000 2.421 534 G HA2 -0.202 3.761 3.960 0.005 0.000 0.216 534 G HA3 -0.202 3.761 3.960 0.005 0.000 0.216 534 G C 0.647 175.487 174.900 -0.100 0.000 1.171 534 G CA 0.483 45.383 45.100 -0.334 0.000 0.775 534 G HN -0.036 nan 8.290 nan 0.000 0.543 535 V N 1.043 120.973 119.914 0.026 0.000 2.637 535 V HA 0.202 4.325 4.120 0.005 0.000 0.296 535 V C 0.879 177.172 176.094 0.332 0.000 1.046 535 V CA 0.179 62.583 62.300 0.173 0.000 1.066 535 V CB 0.377 32.322 31.823 0.202 0.000 0.968 535 V HN 0.618 nan 8.190 nan 0.000 0.483 536 W N 3.674 125.050 121.300 0.126 0.000 1.636 536 W HA -0.400 4.263 4.660 0.005 0.000 0.269 536 W C 1.397 177.891 176.519 -0.042 0.000 1.819 536 W CA 1.804 59.149 57.345 0.001 0.000 2.155 536 W CB -1.455 28.056 29.460 0.086 0.000 1.018 536 W HN 0.582 nan 8.180 nan 0.000 0.439 537 Y N 1.169 121.568 120.300 0.166 0.000 2.207 537 Y HA 0.003 4.556 4.550 0.005 0.000 0.287 537 Y C 2.655 178.490 175.900 -0.109 0.000 1.156 537 Y CA 2.646 60.715 58.100 -0.052 0.000 1.182 537 Y CB -1.382 37.096 38.460 0.028 0.000 0.979 537 Y HN 0.281 nan 8.280 nan 0.000 0.521 538 G N -0.957 107.735 108.800 -0.179 0.000 3.141 538 G HA2 0.016 3.979 3.960 0.005 0.000 0.218 538 G HA3 0.016 3.979 3.960 0.005 0.000 0.218 538 G C 0.720 175.677 174.900 0.095 0.000 1.170 538 G CA 0.059 45.178 45.100 0.031 0.000 0.769 538 G HN 0.321 nan 8.290 nan 0.000 0.546 539 K N -0.811 119.632 120.400 0.072 0.000 3.274 539 K HA -0.199 4.124 4.320 0.005 0.000 0.305 539 K C 0.243 176.824 176.600 -0.031 0.000 1.225 539 K CA 0.875 57.196 56.287 0.057 0.000 0.904 539 K CB -1.001 31.474 32.500 -0.041 0.000 1.227 539 K HN 0.414 nan 8.250 nan 0.000 0.453 540 K N 1.651 122.087 120.400 0.061 0.000 2.382 540 K HA 0.086 4.409 4.320 0.005 0.000 0.275 540 K C -2.046 174.516 176.600 -0.064 0.000 1.009 540 K CA -1.203 55.093 56.287 0.015 0.000 0.970 540 K CB 0.257 32.805 32.500 0.080 0.000 0.934 540 K HN -0.037 nan 8.250 nan 0.000 0.479 541 P HA -0.032 nan 4.420 nan 0.000 0.272 541 P C 0.150 177.403 177.300 -0.078 0.000 1.230 541 P CA -0.068 62.919 63.100 -0.188 0.000 0.788 541 P CB 0.361 31.985 31.700 -0.126 0.000 0.949 542 F N 0.131 120.144 119.950 0.105 0.000 2.250 542 F HA -0.148 4.382 4.527 0.005 0.000 0.301 542 F C 2.161 178.010 175.800 0.083 0.000 1.077 542 F CA 1.543 59.589 58.000 0.077 0.000 1.348 542 F CB -1.147 37.840 39.000 -0.021 0.000 1.040 542 F HN 0.306 nan 8.300 nan 0.000 0.509 543 E N -0.063 120.234 120.200 0.162 0.000 2.265 543 E HA -0.160 4.193 4.350 0.005 0.000 0.196 543 E C 2.313 179.003 176.600 0.150 0.000 0.996 543 E CA 1.162 57.651 56.400 0.148 0.000 0.832 543 E CB -0.539 29.198 29.700 0.060 0.000 0.756 543 E HN 0.374 nan 8.360 nan 0.000 0.491 544 S N 0.255 116.023 115.700 0.114 0.000 2.440 544 S HA -0.153 4.320 4.470 0.005 0.000 0.238 544 S C 1.832 176.479 174.600 0.078 0.000 1.010 544 S CA 0.762 59.020 58.200 0.097 0.000 0.972 544 S CB -0.386 62.866 63.200 0.087 0.000 0.774 544 S HN 0.258 nan 8.310 nan 0.000 0.501 545 L N 1.137 122.418 121.223 0.096 0.000 2.376 545 L HA -0.006 4.337 4.340 0.005 0.000 0.219 545 L C 1.952 178.808 176.870 -0.022 0.000 1.133 545 L CA 0.938 55.790 54.840 0.019 0.000 0.816 545 L CB -0.466 41.593 42.059 0.000 0.000 0.933 545 L HN 0.263 nan 8.230 nan 0.000 0.449 546 D N -0.741 119.674 120.400 0.025 0.000 2.234 546 D HA -0.103 4.540 4.640 0.005 0.000 0.205 546 D C 2.125 178.431 176.300 0.011 0.000 0.962 546 D CA 1.835 55.827 54.000 -0.013 0.000 0.855 546 D CB 0.187 41.012 40.800 0.043 0.000 0.951 546 D HN 0.416 nan 8.370 nan 0.000 0.500 547 T N -2.439 112.144 114.554 0.048 0.000 3.000 547 T HA 0.021 4.374 4.350 0.005 0.000 0.248 547 T C 0.501 175.268 174.700 0.112 0.000 1.034 547 T CA -0.178 61.967 62.100 0.074 0.000 1.060 547 T CB 0.268 69.197 68.868 0.102 0.000 0.983 547 T HN -0.256 nan 8.240 nan 0.000 0.482 548 D N 2.284 122.721 120.400 0.062 0.000 2.564 548 D HA 0.428 5.071 4.640 0.005 0.000 0.226 548 D C -0.623 175.579 176.300 -0.164 0.000 1.149 548 D CA -0.163 53.812 54.000 -0.042 0.000 0.994 548 D CB 0.344 40.968 40.800 -0.294 0.000 1.029 548 D HN 0.438 nan 8.370 nan 0.000 0.517 549 L N 2.974 124.231 121.223 0.056 0.000 2.312 549 L HA 0.445 4.788 4.340 0.005 0.000 0.281 549 L C -1.961 175.039 176.870 0.217 0.000 1.070 549 L CA -1.525 53.380 54.840 0.109 0.000 0.805 549 L CB 1.358 43.505 42.059 0.146 0.000 1.174 549 L HN 0.049 nan 8.230 nan 0.000 0.434 550 P HA 0.377 nan 4.420 nan 0.000 0.285 550 P C -0.371 176.984 177.300 0.093 0.000 1.285 550 P CA -0.759 62.383 63.100 0.070 0.000 0.854 550 P CB 1.533 33.158 31.700 -0.126 0.000 1.180 551 R N -0.182 120.325 120.500 0.012 0.000 2.153 551 R HA 0.206 4.549 4.340 0.005 0.000 0.218 551 R C 0.297 176.706 176.300 0.182 0.000 1.072 551 R CA 0.783 56.861 56.100 -0.037 0.000 0.990 551 R CB -0.834 29.470 30.300 0.007 0.000 0.889 551 R HN 0.579 nan 8.270 nan 0.000 0.452 552 F N -0.339 119.610 119.950 -0.002 0.000 2.639 552 F HA 0.300 4.829 4.527 0.004 0.000 0.326 552 F C -1.225 174.536 175.800 -0.065 0.000 1.150 552 F CA -1.191 56.825 58.000 0.027 0.000 1.057 552 F CB 1.356 40.511 39.000 0.258 0.000 1.300 552 F HN -0.238 nan 8.300 nan 0.000 0.486 553 M N 5.327 124.718 119.600 -0.349 0.000 2.261 553 M HA 0.240 4.723 4.480 0.005 0.000 0.349 553 M C 0.428 176.740 176.300 0.021 0.000 1.305 553 M CA 0.245 55.413 55.300 -0.221 0.000 1.240 553 M CB 0.690 32.936 32.600 -0.590 0.000 1.394 553 M HN 0.554 nan 8.290 nan 0.000 0.438 554 S N 2.366 118.232 115.700 0.276 0.000 2.496 554 S HA 0.229 4.702 4.470 0.005 0.000 0.224 554 S C 0.105 174.689 174.600 -0.027 0.000 0.996 554 S CA 0.067 58.390 58.200 0.204 0.000 0.927 554 S CB -0.133 63.188 63.200 0.202 0.000 0.774 554 S HN 0.746 nan 8.310 nan 0.000 0.524 555 E N -0.026 120.148 120.200 -0.043 0.000 2.335 555 E HA 0.591 4.944 4.350 0.005 0.000 0.280 555 E C -1.557 174.970 176.600 -0.122 0.000 0.918 555 E CA -0.787 55.547 56.400 -0.110 0.000 0.765 555 E CB 2.345 31.846 29.700 -0.333 0.000 1.218 555 E HN 0.444 nan 8.360 nan 0.000 0.425 556 F N -0.403 119.296 119.950 -0.417 0.000 2.719 556 F HA 0.851 5.381 4.527 0.005 0.000 0.309 556 F C -0.694 174.809 175.800 -0.496 0.000 1.138 556 F CA -0.566 56.971 58.000 -0.773 0.000 0.943 556 F CB 1.644 40.421 39.000 -0.372 0.000 1.304 556 F HN 0.563 nan 8.300 nan 0.000 0.445 557 G N 0.819 109.170 108.800 -0.747 0.000 2.506 557 G HA2 0.573 4.536 3.960 0.005 0.000 0.292 557 G HA3 0.573 4.536 3.960 0.005 0.000 0.292 557 G C -2.802 172.288 174.900 0.318 0.000 1.425 557 G CA -0.839 44.148 45.100 -0.188 0.000 0.788 557 G HN 1.106 nan 8.290 nan 0.000 0.490 558 F N 0.000 120.062 119.950 0.187 0.000 2.635 558 F HA 0.533 5.063 4.527 0.005 0.000 0.314 558 F C -0.258 175.329 175.800 -0.354 0.000 1.119 558 F CA -0.655 57.343 58.000 -0.003 0.000 1.000 558 F CB 2.041 41.099 39.000 0.096 0.000 1.278 558 F HN 0.541 nan 8.300 nan 0.000 0.446 559 Q N 2.492 121.387 119.800 -1.507 0.000 2.306 559 Q HA 0.610 4.953 4.340 0.005 0.000 0.241 559 Q C -0.855 174.810 176.000 -0.559 0.000 0.948 559 Q CA -0.379 54.661 55.803 -1.272 0.000 0.886 559 Q CB 1.684 29.413 28.738 -1.682 0.000 1.227 559 Q HN 0.686 nan 8.270 nan 0.000 0.457 560 S N 0.495 115.952 115.700 -0.404 0.000 2.546 560 S HA 0.504 4.977 4.470 0.005 0.000 0.274 560 S C -0.795 173.723 174.600 -0.137 0.000 1.121 560 S CA -0.872 57.215 58.200 -0.188 0.000 0.887 560 S CB 0.604 63.690 63.200 -0.190 0.000 1.094 560 S HN 0.428 nan 8.310 nan 0.000 0.474 561 F N 3.286 123.129 119.950 -0.178 0.000 2.572 561 F HA 0.299 4.829 4.527 0.005 0.000 0.370 561 F C -1.362 174.363 175.800 -0.126 0.000 1.103 561 F CA -0.964 56.979 58.000 -0.095 0.000 1.286 561 F CB 0.679 39.661 39.000 -0.029 0.000 1.105 561 F HN 0.436 nan 8.300 nan 0.000 0.583 562 P HA 0.025 nan 4.420 nan 0.000 0.272 562 P C -0.861 176.482 177.300 0.072 0.000 1.240 562 P CA -0.487 62.638 63.100 0.041 0.000 0.791 562 P CB 0.561 32.304 31.700 0.072 0.000 0.978 563 E N 1.087 121.328 120.200 0.068 0.000 2.428 563 E HA 0.004 4.357 4.350 0.005 0.000 0.257 563 E C 1.081 177.722 176.600 0.069 0.000 1.197 563 E CA -0.572 55.885 56.400 0.096 0.000 0.974 563 E CB 0.074 29.910 29.700 0.226 0.000 0.976 563 E HN 0.173 nan 8.360 nan 0.000 0.463 564 M N 1.093 120.723 119.600 0.050 0.000 2.149 564 M HA -0.172 4.311 4.480 0.005 0.000 0.261 564 M C 2.069 178.329 176.300 -0.067 0.000 1.064 564 M CA 2.086 57.348 55.300 -0.063 0.000 1.102 564 M CB -1.288 31.277 32.600 -0.058 0.000 1.369 564 M HN 0.690 nan 8.290 nan 0.000 0.408 565 K N -1.260 119.145 120.400 0.009 0.000 2.209 565 K HA -0.086 4.237 4.320 0.005 0.000 0.204 565 K C 1.648 178.230 176.600 -0.030 0.000 1.048 565 K CA 1.666 57.948 56.287 -0.010 0.000 0.940 565 K CB -0.654 31.850 32.500 0.006 0.000 0.729 565 K HN 0.180 nan 8.250 nan 0.000 0.451 566 T N 1.943 116.518 114.554 0.036 0.000 2.809 566 T HA 0.078 4.431 4.350 0.005 0.000 0.260 566 T C 1.945 176.659 174.700 0.022 0.000 1.039 566 T CA 0.928 63.114 62.100 0.143 0.000 1.141 566 T CB -0.158 68.883 68.868 0.288 0.000 0.869 566 T HN 0.155 nan 8.240 nan 0.000 0.437 567 I N 1.757 122.224 120.570 -0.172 0.000 2.194 567 I HA -0.251 3.922 4.170 0.005 0.000 0.246 567 I C 2.866 178.569 176.117 -0.689 0.000 1.093 567 I CA 1.308 62.187 61.300 -0.703 0.000 1.355 567 I CB -0.483 37.246 38.000 -0.452 0.000 1.046 567 I HN 0.191 nan 8.210 nan 0.000 0.413 568 A N 0.578 123.222 122.820 -0.293 0.000 2.070 568 A HA -0.086 4.237 4.320 0.005 0.000 0.220 568 A C 2.454 180.043 177.584 0.007 0.000 1.159 568 A CA 1.624 53.638 52.037 -0.038 0.000 0.656 568 A CB -0.627 18.419 19.000 0.076 0.000 0.800 568 A HN 0.464 nan 8.150 nan 0.000 0.453 569 A N -0.830 121.988 122.820 -0.003 0.000 2.119 569 A HA 0.197 4.520 4.320 0.005 0.000 0.217 569 A C 1.586 179.363 177.584 0.322 0.000 1.153 569 A CA 1.302 53.446 52.037 0.179 0.000 0.692 569 A CB -0.559 18.557 19.000 0.194 0.000 0.799 569 A HN 1.090 nan 8.150 nan 0.000 0.458 570 F N -3.343 116.613 119.950 0.011 0.000 2.728 570 F HA 0.744 5.274 4.527 0.005 0.000 0.314 570 F C 0.314 175.690 175.800 -0.708 0.000 1.094 570 F CA -0.527 57.287 58.000 -0.309 0.000 1.217 570 F CB -0.072 38.661 39.000 -0.446 0.000 1.056 570 F HN 0.156 nan 8.300 nan 0.000 0.577 571 A N 1.225 123.724 122.820 -0.534 0.000 2.449 571 A HA 0.854 5.177 4.320 0.005 0.000 0.302 571 A C -0.415 177.170 177.584 0.003 0.000 1.048 571 A CA -0.445 51.400 52.037 -0.320 0.000 0.708 571 A CB 0.728 19.553 19.000 -0.291 0.000 1.274 571 A HN 0.555 nan 8.150 nan 0.000 0.410 572 A N 2.475 125.319 122.820 0.041 0.000 2.332 572 A HA 0.666 4.989 4.320 0.005 0.000 0.258 572 A C -1.666 175.732 177.584 -0.310 0.000 1.087 572 A CA -1.364 50.678 52.037 0.008 0.000 0.802 572 A CB -0.177 18.863 19.000 0.066 0.000 1.042 572 A HN 0.518 nan 8.150 nan 0.000 0.489 573 P HA -0.125 nan 4.420 nan 0.000 0.219 573 P C 0.565 177.435 177.300 -0.716 0.000 1.146 573 P CA 1.387 63.766 63.100 -1.202 0.000 0.808 573 P CB 0.086 31.379 31.700 -0.679 0.000 0.779 574 E N -0.348 119.645 120.200 -0.346 0.000 2.265 574 E HA -0.134 4.219 4.350 0.005 0.000 0.196 574 E C 0.979 177.481 176.600 -0.163 0.000 0.996 574 E CA 1.032 57.314 56.400 -0.197 0.000 0.832 574 E CB -0.752 28.884 29.700 -0.107 0.000 0.756 574 E HN 0.402 nan 8.360 nan 0.000 0.491 575 D N -0.442 119.860 120.400 -0.163 0.000 2.398 575 D HA -0.024 4.619 4.640 0.005 0.000 0.210 575 D C -0.126 176.156 176.300 -0.031 0.000 1.094 575 D CA -0.145 53.812 54.000 -0.073 0.000 0.839 575 D CB 0.050 40.842 40.800 -0.014 0.000 0.963 575 D HN 0.191 nan 8.370 nan 0.000 0.506 576 Y N 2.559 122.653 120.300 -0.344 0.000 3.637 576 Y HA -0.110 4.443 4.550 0.005 0.000 0.351 576 Y C 1.007 176.387 175.900 -0.867 0.000 0.868 576 Y CA 0.127 57.807 58.100 -0.700 0.000 2.081 576 Y CB -1.756 36.512 38.460 -0.320 0.000 2.441 576 Y HN 0.001 nan 8.280 nan 0.000 0.390 577 Q N -0.630 118.823 119.800 -0.579 0.000 2.418 577 Q HA 0.391 4.733 4.340 0.005 0.000 0.276 577 Q C 1.496 177.238 176.000 -0.431 0.000 1.081 577 Q CA -0.960 54.457 55.803 -0.642 0.000 0.864 577 Q CB 1.392 29.986 28.738 -0.241 0.000 1.384 577 Q HN 0.347 nan 8.270 nan 0.000 0.467 578 I N 0.371 120.850 120.570 -0.151 0.000 2.226 578 I HA -0.237 3.936 4.170 0.005 0.000 0.245 578 I C 0.966 177.170 176.117 0.145 0.000 1.100 578 I CA 1.399 62.771 61.300 0.119 0.000 1.374 578 I CB 0.122 38.096 38.000 -0.044 0.000 1.057 578 I HN 0.450 nan 8.210 nan 0.000 0.413 579 E N 1.013 121.234 120.200 0.035 0.000 2.585 579 E HA 0.132 4.485 4.350 0.005 0.000 0.206 579 E C 0.375 176.991 176.600 0.026 0.000 1.007 579 E CA -0.045 56.385 56.400 0.049 0.000 1.028 579 E CB 0.269 29.986 29.700 0.028 0.000 1.087 579 E HN 0.377 nan 8.360 nan 0.000 0.455 580 S N -0.003 115.702 115.700 0.008 0.000 2.580 580 S HA 0.062 4.535 4.470 0.005 0.000 0.266 580 S C 1.193 175.828 174.600 0.058 0.000 1.354 580 S CA -0.348 57.860 58.200 0.014 0.000 1.008 580 S CB 1.984 65.175 63.200 -0.014 0.000 0.898 580 S HN 0.170 nan 8.310 nan 0.000 0.555 581 E N 0.591 120.825 120.200 0.057 0.000 2.028 581 E HA -0.108 4.245 4.350 0.005 0.000 0.191 581 E C 1.679 178.349 176.600 0.116 0.000 0.988 581 E CA 1.339 57.784 56.400 0.075 0.000 0.799 581 E CB -0.571 29.167 29.700 0.063 0.000 0.755 581 E HN 0.609 nan 8.360 nan 0.000 0.447 582 V N 0.935 120.931 119.914 0.136 0.000 2.467 582 V HA -0.497 3.626 4.120 0.005 0.000 0.213 582 V C 2.064 178.332 176.094 0.289 0.000 0.950 582 V CA 2.703 65.114 62.300 0.185 0.000 1.104 582 V CB -1.404 30.492 31.823 0.122 0.000 0.936 582 V HN 0.429 nan 8.190 nan 0.000 0.505 583 M N 0.423 120.180 119.600 0.262 0.000 4.602 583 M HA -0.372 4.111 4.480 0.005 0.000 0.300 583 M C 1.364 177.796 176.300 0.220 0.000 0.750 583 M CA 3.122 58.582 55.300 0.266 0.000 0.934 583 M CB -1.305 31.425 32.600 0.218 0.000 1.486 583 M HN 0.701 nan 8.290 nan 0.000 0.697 584 N N -1.120 117.672 118.700 0.154 0.000 2.314 584 N HA 0.385 5.128 4.740 0.005 0.000 0.200 584 N C 0.915 176.470 175.510 0.075 0.000 1.135 584 N CA 0.331 53.443 53.050 0.104 0.000 0.835 584 N CB 0.003 38.543 38.487 0.088 0.000 0.989 584 N HN 0.519 nan 8.380 nan 0.000 0.478 585 A N 0.015 122.905 122.820 0.117 0.000 2.172 585 A HA -0.098 4.225 4.320 0.005 0.000 0.216 585 A C 0.741 178.270 177.584 -0.092 0.000 1.154 585 A CA 1.149 53.224 52.037 0.062 0.000 0.701 585 A CB -0.262 18.812 19.000 0.122 0.000 0.789 585 A HN 0.350 nan 8.150 nan 0.000 0.465 586 H N -2.180 116.815 119.070 -0.125 0.000 2.567 586 H HA 0.365 4.924 4.556 0.005 0.000 0.267 586 H C -0.337 174.763 175.328 -0.380 0.000 1.148 586 H CA 0.020 55.791 56.048 -0.462 0.000 1.031 586 H CB 0.517 29.641 29.762 -1.063 0.000 1.691 586 H HN 0.405 nan 8.280 nan 0.000 0.588 587 Q N 1.127 120.864 119.800 -0.105 0.000 2.337 587 Q HA 0.259 4.602 4.340 0.005 0.000 0.264 587 Q C -0.318 175.669 176.000 -0.022 0.000 1.007 587 Q CA -0.584 55.147 55.803 -0.120 0.000 0.727 587 Q CB 0.725 29.400 28.738 -0.105 0.000 1.256 587 Q HN -0.113 nan 8.270 nan 0.000 0.467 588 K N 1.087 121.505 120.400 0.029 0.000 2.374 588 K HA 0.212 4.535 4.320 0.005 0.000 0.196 588 K C -0.065 176.588 176.600 0.089 0.000 1.023 588 K CA 0.256 56.595 56.287 0.087 0.000 1.103 588 K CB 0.579 33.202 32.500 0.205 0.000 0.848 588 K HN 0.579 nan 8.250 nan 0.000 0.528 589 S N -0.552 115.195 115.700 0.079 0.000 2.568 589 S HA 0.326 4.799 4.470 0.005 0.000 0.293 589 S C 0.621 175.286 174.600 0.108 0.000 1.089 589 S CA -0.388 57.897 58.200 0.141 0.000 0.945 589 S CB 1.972 65.358 63.200 0.310 0.000 1.077 589 S HN 0.043 nan 8.310 nan 0.000 0.485 590 S N 2.594 118.360 115.700 0.110 0.000 2.523 590 S HA 0.418 4.891 4.470 0.005 0.000 0.217 590 S C 0.814 175.443 174.600 0.049 0.000 0.996 590 S CA 0.091 58.324 58.200 0.054 0.000 0.921 590 S CB -0.428 62.792 63.200 0.035 0.000 0.829 590 S HN 0.926 nan 8.310 nan 0.000 0.495 591 I N -1.527 119.076 120.570 0.056 0.000 5.329 591 I HA 0.115 4.288 4.170 0.005 0.000 0.325 591 I C 1.668 177.774 176.117 -0.019 0.000 1.054 591 I CA 0.688 62.002 61.300 0.024 0.000 1.623 591 I CB -0.693 37.356 38.000 0.081 0.000 2.122 591 I HN 0.304 nan 8.210 nan 0.000 0.689 592 G N 1.386 110.243 108.800 0.095 0.000 2.404 592 G HA2 -0.194 3.769 3.960 0.005 0.000 0.214 592 G HA3 -0.194 3.769 3.960 0.005 0.000 0.214 592 G C 1.066 176.061 174.900 0.159 0.000 1.189 592 G CA 1.159 46.381 45.100 0.203 0.000 0.789 592 G HN 0.325 nan 8.290 nan 0.000 0.533 593 N N 1.105 119.901 118.700 0.159 0.000 2.120 593 N HA -0.137 4.606 4.740 0.005 0.000 0.188 593 N C 2.644 178.269 175.510 0.191 0.000 1.024 593 N CA 1.670 54.875 53.050 0.258 0.000 0.852 593 N CB -0.537 38.099 38.487 0.248 0.000 1.003 593 N HN 0.416 nan 8.380 nan 0.000 0.424 594 S N 0.737 116.492 115.700 0.093 0.000 2.368 594 S HA -0.080 4.393 4.470 0.005 0.000 0.225 594 S C 1.968 176.595 174.600 0.045 0.000 1.030 594 S CA 0.578 58.812 58.200 0.057 0.000 0.999 594 S CB -0.501 62.710 63.200 0.019 0.000 0.844 594 S HN 0.126 nan 8.310 nan 0.000 0.459 595 L N 1.717 122.903 121.223 -0.062 0.000 2.042 595 L HA 0.082 4.425 4.340 0.005 0.000 0.210 595 L C 2.334 179.285 176.870 0.135 0.000 1.076 595 L CA 1.467 56.223 54.840 -0.140 0.000 0.749 595 L CB -0.977 40.596 42.059 -0.808 0.000 0.893 595 L HN 0.428 nan 8.230 nan 0.000 0.432 596 I N -0.990 119.694 120.570 0.191 0.000 2.127 596 I HA -0.374 3.799 4.170 0.005 0.000 0.241 596 I C 2.695 179.053 176.117 0.401 0.000 1.075 596 I CA 1.597 63.119 61.300 0.369 0.000 1.334 596 I CB -0.385 37.840 38.000 0.375 0.000 1.040 596 I HN 0.277 nan 8.210 nan 0.000 0.405 597 R N 0.572 121.295 120.500 0.372 0.000 2.096 597 R HA -0.206 4.137 4.340 0.005 0.000 0.240 597 R C 2.300 178.741 176.300 0.235 0.000 1.139 597 R CA 2.464 58.760 56.100 0.325 0.000 0.952 597 R CB -0.475 29.953 30.300 0.212 0.000 0.854 597 R HN 0.264 nan 8.270 nan 0.000 0.436 598 T N -0.140 114.529 114.554 0.193 0.000 2.684 598 T HA -0.185 4.168 4.350 0.005 0.000 0.267 598 T C 1.471 176.247 174.700 0.127 0.000 1.036 598 T CA 1.809 63.976 62.100 0.112 0.000 1.148 598 T CB -0.417 68.478 68.868 0.046 0.000 0.863 598 T HN 0.319 nan 8.240 nan 0.000 0.436 599 Y N 0.538 120.923 120.300 0.142 0.000 2.220 599 Y HA 0.061 4.614 4.550 0.005 0.000 0.291 599 Y C 2.538 178.537 175.900 0.165 0.000 1.129 599 Y CA 0.959 59.147 58.100 0.147 0.000 1.161 599 Y CB -0.380 38.254 38.460 0.290 0.000 0.997 599 Y HN 0.127 nan 8.280 nan 0.000 0.522 600 M N -0.091 119.720 119.600 0.353 0.000 2.108 600 M HA -0.250 4.233 4.480 0.005 0.000 0.261 600 M C 2.270 178.707 176.300 0.227 0.000 1.066 600 M CA 1.846 57.308 55.300 0.269 0.000 1.107 600 M CB -0.140 32.551 32.600 0.151 0.000 1.356 600 M HN 0.181 nan 8.290 nan 0.000 0.406 601 E N 0.674 120.967 120.200 0.155 0.000 2.204 601 E HA -0.205 4.147 4.350 0.005 0.000 0.195 601 E C 1.801 178.419 176.600 0.031 0.000 0.990 601 E CA 1.232 57.681 56.400 0.082 0.000 0.821 601 E CB -0.107 29.626 29.700 0.056 0.000 0.750 601 E HN 0.599 nan 8.360 nan 0.000 0.477 602 R N 0.057 120.572 120.500 0.024 0.000 2.152 602 R HA -0.076 4.267 4.340 0.005 0.000 0.232 602 R C 1.259 177.518 176.300 -0.069 0.000 1.117 602 R CA 1.414 57.494 56.100 -0.034 0.000 0.981 602 R CB 0.095 30.356 30.300 -0.065 0.000 0.870 602 R HN 0.155 nan 8.270 nan 0.000 0.451 603 D N -2.311 118.042 120.400 -0.077 0.000 2.502 603 D HA 0.105 4.748 4.640 0.005 0.000 0.232 603 D C -0.555 175.341 176.300 -0.674 0.000 1.137 603 D CA 0.338 54.129 54.000 -0.348 0.000 0.827 603 D CB 0.837 41.397 40.800 -0.401 0.000 1.141 603 D HN 0.006 nan 8.370 nan 0.000 0.517 604 Y N 0.148 120.404 120.300 -0.074 0.000 2.581 604 Y HA 0.440 4.993 4.550 0.005 0.000 0.345 604 Y C 0.061 175.906 175.900 -0.091 0.000 1.036 604 Y CA -0.948 57.097 58.100 -0.091 0.000 1.042 604 Y CB 1.567 39.965 38.460 -0.103 0.000 1.289 604 Y HN -0.324 nan 8.280 nan 0.000 0.471 605 I N 3.166 123.756 120.570 0.033 0.000 2.471 605 I HA 0.079 4.252 4.170 0.005 0.000 0.286 605 I C -0.603 175.555 176.117 0.069 0.000 1.079 605 I CA -0.157 61.108 61.300 -0.057 0.000 1.398 605 I CB 0.240 38.021 38.000 -0.365 0.000 1.403 605 I HN 0.297 nan 8.210 nan 0.000 0.530 606 I N 9.614 130.230 120.570 0.077 0.000 2.494 606 I HA 0.124 4.297 4.170 0.005 0.000 0.289 606 I C -1.879 174.319 176.117 0.136 0.000 1.106 606 I CA -1.887 59.492 61.300 0.132 0.000 1.369 606 I CB -0.715 37.370 38.000 0.142 0.000 1.410 606 I HN 0.326 nan 8.210 nan 0.000 0.523 607 P HA 0.156 nan 4.420 nan 0.000 0.272 607 P C 0.492 177.869 177.300 0.130 0.000 1.223 607 P CA -0.315 62.877 63.100 0.155 0.000 0.784 607 P CB 0.741 32.527 31.700 0.143 0.000 0.923 608 E N -0.024 120.238 120.200 0.103 0.000 2.158 608 E HA -0.043 4.310 4.350 0.005 0.000 0.191 608 E C 0.546 177.190 176.600 0.074 0.000 0.982 608 E CA 0.675 57.119 56.400 0.073 0.000 0.823 608 E CB 0.043 29.780 29.700 0.062 0.000 0.766 608 E HN 0.530 nan 8.360 nan 0.000 0.468 609 S N -0.488 115.265 115.700 0.088 0.000 2.586 609 S HA 0.084 4.557 4.470 0.005 0.000 0.274 609 S C 0.664 175.348 174.600 0.140 0.000 1.281 609 S CA -0.818 57.447 58.200 0.108 0.000 1.035 609 S CB 1.162 64.418 63.200 0.093 0.000 0.962 609 S HN 0.180 nan 8.310 nan 0.000 0.512 610 F N 2.411 122.373 119.950 0.019 0.000 2.095 610 F HA -0.048 4.482 4.527 0.005 0.000 0.298 610 F C 2.006 177.837 175.800 0.052 0.000 1.104 610 F CA 2.067 60.067 58.000 0.001 0.000 1.232 610 F CB -0.563 38.425 39.000 -0.020 0.000 0.987 610 F HN 0.746 nan 8.300 nan 0.000 0.475 611 E N 0.284 120.506 120.200 0.036 0.000 2.118 611 E HA -0.211 4.142 4.350 0.005 0.000 0.195 611 E C 1.821 178.390 176.600 -0.052 0.000 0.992 611 E CA 1.694 58.060 56.400 -0.058 0.000 0.804 611 E CB -0.376 29.356 29.700 0.053 0.000 0.741 611 E HN 0.434 nan 8.360 nan 0.000 0.458 612 D N -0.593 119.818 120.400 0.019 0.000 2.194 612 D HA -0.091 4.552 4.640 0.005 0.000 0.204 612 D C 1.554 177.873 176.300 0.031 0.000 0.964 612 D CA 0.428 54.478 54.000 0.083 0.000 0.846 612 D CB -0.267 40.589 40.800 0.093 0.000 0.962 612 D HN 0.135 nan 8.370 nan 0.000 0.490 613 F N 1.459 121.298 119.950 -0.186 0.000 2.102 613 F HA -0.218 4.312 4.527 0.005 0.000 0.298 613 F C 2.088 177.653 175.800 -0.391 0.000 1.105 613 F CA 1.067 58.903 58.000 -0.274 0.000 1.239 613 F CB -0.259 38.557 39.000 -0.306 0.000 0.991 613 F HN -0.223 nan 8.300 nan 0.000 0.474 614 V N 0.220 119.887 119.914 -0.411 0.000 2.287 614 V HA -0.347 3.776 4.120 0.005 0.000 0.248 614 V C 2.172 178.059 176.094 -0.345 0.000 1.053 614 V CA 2.349 64.362 62.300 -0.479 0.000 1.027 614 V CB -1.250 30.283 31.823 -0.484 0.000 0.646 614 V HN 0.634 nan 8.190 nan 0.000 0.447 615 Y N 1.022 121.149 120.300 -0.288 0.000 2.097 615 Y HA -0.230 4.323 4.550 0.005 0.000 0.282 615 Y C 2.320 178.034 175.900 -0.309 0.000 1.152 615 Y CA 2.002 59.975 58.100 -0.212 0.000 1.136 615 Y CB -0.794 37.633 38.460 -0.055 0.000 0.975 615 Y HN 0.053 nan 8.280 nan 0.000 0.498 616 V N 0.784 120.200 119.914 -0.830 0.000 2.407 616 V HA -0.233 3.889 4.120 0.005 0.000 0.248 616 V C 2.678 178.238 176.094 -0.890 0.000 1.055 616 V CA 1.844 63.547 62.300 -0.995 0.000 1.049 616 V CB -1.631 29.771 31.823 -0.701 0.000 0.662 616 V HN 0.659 nan 8.190 nan 0.000 0.455 617 G N -0.205 108.111 108.800 -0.806 0.000 2.432 617 G HA2 -0.193 3.770 3.960 0.005 0.000 0.219 617 G HA3 -0.193 3.770 3.960 0.005 0.000 0.219 617 G C 1.577 176.182 174.900 -0.492 0.000 1.135 617 G CA 0.829 45.545 45.100 -0.639 0.000 0.767 617 G HN 0.473 nan 8.290 nan 0.000 0.550 618 L N 0.084 120.987 121.223 -0.533 0.000 2.027 618 L HA -0.066 4.277 4.340 0.005 0.000 0.206 618 L C 2.996 179.461 176.870 -0.674 0.000 1.074 618 L CA 0.470 54.966 54.840 -0.573 0.000 0.745 618 L CB -0.568 41.111 42.059 -0.633 0.000 0.898 618 L HN 0.071 nan 8.230 nan 0.000 0.433 619 V N 0.077 119.571 119.914 -0.701 0.000 2.287 619 V HA -0.315 3.808 4.120 0.005 0.000 0.248 619 V C 2.422 178.177 176.094 -0.564 0.000 1.053 619 V CA 1.898 63.826 62.300 -0.620 0.000 1.027 619 V CB -0.481 30.938 31.823 -0.674 0.000 0.646 619 V HN 0.339 nan 8.190 nan 0.000 0.447 620 L N 0.050 120.876 121.223 -0.663 0.000 1.970 620 L HA -0.246 4.097 4.340 0.005 0.000 0.212 620 L C 2.534 179.111 176.870 -0.487 0.000 1.071 620 L CA 2.484 57.030 54.840 -0.491 0.000 0.751 620 L CB -0.940 40.875 42.059 -0.407 0.000 0.889 620 L HN 0.397 nan 8.230 nan 0.000 0.432 621 Q N -0.812 118.765 119.800 -0.372 0.000 2.112 621 Q HA -0.208 4.135 4.340 0.005 0.000 0.206 621 Q C 1.988 177.716 176.000 -0.453 0.000 0.987 621 Q CA 2.015 57.648 55.803 -0.283 0.000 0.858 621 Q CB -0.517 28.139 28.738 -0.137 0.000 0.905 621 Q HN 0.702 nan 8.270 nan 0.000 0.420 622 G N 0.156 108.674 108.800 -0.470 0.000 2.404 622 G HA2 -0.246 3.717 3.960 0.005 0.000 0.215 622 G HA3 -0.246 3.717 3.960 0.005 0.000 0.215 622 G C 1.366 176.012 174.900 -0.423 0.000 1.174 622 G CA 0.461 45.291 45.100 -0.450 0.000 0.780 622 G HN 0.275 nan 8.290 nan 0.000 0.537 623 Q N 0.500 120.052 119.800 -0.414 0.000 2.050 623 Q HA -0.061 4.282 4.340 0.005 0.000 0.202 623 Q C 2.831 178.524 176.000 -0.513 0.000 0.980 623 Q CA 1.548 57.136 55.803 -0.358 0.000 0.840 623 Q CB -0.969 27.623 28.738 -0.242 0.000 0.898 623 Q HN 0.431 nan 8.270 nan 0.000 0.424 624 G N 0.684 108.908 108.800 -0.959 0.000 2.421 624 G HA2 -0.229 3.734 3.960 0.005 0.000 0.216 624 G HA3 -0.229 3.734 3.960 0.005 0.000 0.216 624 G C 1.462 175.847 174.900 -0.859 0.000 1.171 624 G CA 0.772 44.798 45.100 -1.790 0.000 0.775 624 G HN 0.168 nan 8.290 nan 0.000 0.543 625 M N 0.661 119.887 119.600 -0.624 0.000 2.132 625 M HA 0.014 4.497 4.480 0.005 0.000 0.263 625 M C 2.488 178.675 176.300 -0.189 0.000 1.065 625 M CA 0.947 56.078 55.300 -0.282 0.000 1.122 625 M CB -0.896 31.437 32.600 -0.445 0.000 1.365 625 M HN 0.288 nan 8.290 nan 0.000 0.411 626 R N -0.120 120.208 120.500 -0.286 0.000 2.120 626 R HA -0.198 4.145 4.340 0.005 0.000 0.234 626 R C 1.790 178.002 176.300 -0.146 0.000 1.123 626 R CA 1.828 57.785 56.100 -0.238 0.000 0.975 626 R CB -1.174 28.975 30.300 -0.251 0.000 0.866 626 R HN 0.411 nan 8.270 nan 0.000 0.446 627 H N -0.239 118.709 119.070 -0.204 0.000 2.352 627 H HA -0.022 4.537 4.556 0.005 0.000 0.299 627 H C 1.855 177.082 175.328 -0.169 0.000 1.097 627 H CA 2.480 58.440 56.048 -0.148 0.000 1.311 627 H CB -0.472 29.221 29.762 -0.114 0.000 1.377 627 H HN 0.413 nan 8.280 nan 0.000 0.504 628 G N 0.139 108.883 108.800 -0.093 0.000 2.404 628 G HA2 -0.188 3.774 3.960 0.005 0.000 0.215 628 G HA3 -0.188 3.774 3.960 0.005 0.000 0.215 628 G C 1.734 176.190 174.900 -0.740 0.000 1.174 628 G CA 0.777 45.633 45.100 -0.407 0.000 0.780 628 G HN 0.394 nan 8.290 nan 0.000 0.537 629 L N 0.192 121.287 121.223 -0.213 0.000 2.043 629 L HA -0.143 4.200 4.340 0.005 0.000 0.212 629 L C 2.890 179.679 176.870 -0.136 0.000 1.075 629 L CA 1.552 56.363 54.840 -0.049 0.000 0.752 629 L CB -0.488 41.528 42.059 -0.073 0.000 0.891 629 L HN 0.311 nan 8.230 nan 0.000 0.432 630 E N 0.026 120.088 120.200 -0.230 0.000 2.077 630 E HA -0.208 4.145 4.350 0.005 0.000 0.193 630 E C 2.325 178.754 176.600 -0.286 0.000 0.989 630 E CA 1.156 57.419 56.400 -0.229 0.000 0.800 630 E CB -0.189 29.364 29.700 -0.245 0.000 0.746 630 E HN 0.500 nan 8.360 nan 0.000 0.452 631 A N 0.785 123.361 122.820 -0.407 0.000 1.933 631 A HA -0.230 4.093 4.320 0.005 0.000 0.218 631 A C 1.678 179.164 177.584 -0.164 0.000 1.175 631 A CA 1.677 53.507 52.037 -0.344 0.000 0.628 631 A CB -0.842 17.931 19.000 -0.377 0.000 0.814 631 A HN 0.333 nan 8.150 nan 0.000 0.444 632 H N -0.996 118.018 119.070 -0.093 0.000 2.326 632 H HA -0.029 4.530 4.556 0.005 0.000 0.301 632 H C 2.449 177.818 175.328 0.068 0.000 1.081 632 H CA 1.258 57.329 56.048 0.039 0.000 1.334 632 H CB -0.023 29.790 29.762 0.085 0.000 1.385 632 H HN 0.389 nan 8.280 nan 0.000 0.504 633 R N 0.576 121.054 120.500 -0.037 0.000 2.115 633 R HA -0.078 4.265 4.340 0.005 0.000 0.230 633 R C 2.385 178.501 176.300 -0.307 0.000 1.111 633 R CA 0.831 56.612 56.100 -0.532 0.000 0.976 633 R CB -0.116 29.896 30.300 -0.480 0.000 0.870 633 R HN 0.268 nan 8.270 nan 0.000 0.445 634 R N 0.903 121.276 120.500 -0.212 0.000 2.115 634 R HA -0.043 4.300 4.340 0.005 0.000 0.230 634 R C 0.925 177.128 176.300 -0.162 0.000 1.111 634 R CA 1.184 57.135 56.100 -0.250 0.000 0.976 634 R CB 0.061 30.108 30.300 -0.421 0.000 0.870 634 R HN 0.178 nan 8.270 nan 0.000 0.445 635 N N 1.053 119.716 118.700 -0.062 0.000 2.276 635 N HA -0.040 4.703 4.740 0.005 0.000 0.212 635 N C -0.376 175.232 175.510 0.163 0.000 1.127 635 N CA -0.072 53.008 53.050 0.049 0.000 0.834 635 N CB 0.302 38.835 38.487 0.078 0.000 1.014 635 N HN 0.199 nan 8.380 nan 0.000 0.491 636 R N 2.432 123.005 120.500 0.121 0.000 2.537 636 R HA 0.060 4.403 4.340 0.005 0.000 0.280 636 R C -1.535 174.848 176.300 0.139 0.000 1.058 636 R CA -0.658 55.546 56.100 0.173 0.000 1.057 636 R CB 0.688 31.046 30.300 0.098 0.000 0.973 636 R HN -0.005 nan 8.270 nan 0.000 0.438 637 P HA -0.036 nan 4.420 nan 0.000 0.261 637 P C 0.536 177.933 177.300 0.162 0.000 1.268 637 P CA 0.218 63.398 63.100 0.133 0.000 0.833 637 P CB -0.028 31.704 31.700 0.053 0.000 1.231 638 Y N 1.054 121.419 120.300 0.109 0.000 2.114 638 Y HA -0.183 4.370 4.550 0.004 0.000 0.282 638 Y C 1.156 177.147 175.900 0.151 0.000 1.165 638 Y CA 1.316 59.489 58.100 0.123 0.000 1.148 638 Y CB -0.551 37.975 38.460 0.110 0.000 0.972 638 Y HN 0.042 nan 8.280 nan 0.000 0.504 639 C N 1.903 121.378 119.300 0.292 0.000 2.329 639 C HA 0.431 4.893 4.460 0.005 0.000 0.329 639 C C 0.546 175.708 174.990 0.286 0.000 1.275 639 C CA -0.824 58.332 59.018 0.229 0.000 1.726 639 C CB 0.113 28.016 27.740 0.273 0.000 2.291 639 C HN 0.585 nan 8.230 nan 0.000 0.514 640 M N 4.577 124.229 119.600 0.088 0.000 2.416 640 M HA 0.341 4.824 4.480 0.005 0.000 0.337 640 M C 0.459 176.288 176.300 -0.785 0.000 1.074 640 M CA 0.137 55.420 55.300 -0.027 0.000 0.968 640 M CB 0.050 32.785 32.600 0.225 0.000 1.472 640 M HN 1.012 nan 8.290 nan 0.000 0.539 641 G N -0.494 107.512 108.800 -1.324 0.000 2.442 641 G HA2 0.377 4.340 3.960 0.005 0.000 0.296 641 G HA3 0.377 4.340 3.960 0.005 0.000 0.296 641 G C -1.653 172.467 174.900 -1.300 0.000 1.564 641 G CA -0.409 43.602 45.100 -1.814 0.000 0.828 641 G HN -0.088 nan 8.290 nan 0.000 0.571 642 T N 0.579 114.686 114.554 -0.746 0.000 3.011 642 T HA 0.604 4.956 4.350 0.005 0.000 0.303 642 T C -1.035 173.659 174.700 -0.009 0.000 0.997 642 T CA -0.475 61.498 62.100 -0.211 0.000 1.007 642 T CB 0.628 69.680 68.868 0.307 0.000 1.017 642 T HN 0.541 nan 8.240 nan 0.000 0.443 643 L N 6.775 128.015 121.223 0.029 0.000 2.345 643 L HA 0.495 4.838 4.340 0.005 0.000 0.274 643 L C -0.211 176.700 176.870 0.067 0.000 0.999 643 L CA -1.315 53.523 54.840 -0.003 0.000 0.849 643 L CB 0.809 42.827 42.059 -0.068 0.000 1.220 643 L HN 0.736 nan 8.230 nan 0.000 0.422 644 Y N 0.580 120.901 120.300 0.034 0.000 2.357 644 Y HA 0.221 4.774 4.550 0.005 0.000 0.340 644 Y C -0.275 175.493 175.900 -0.220 0.000 1.260 644 Y CA -0.765 57.209 58.100 -0.212 0.000 1.425 644 Y CB 0.722 38.904 38.460 -0.463 0.000 1.326 644 Y HN 0.546 nan 8.280 nan 0.000 0.580 645 W N 6.466 127.657 121.300 -0.181 0.000 2.308 645 W HA 0.365 5.028 4.660 0.005 0.000 0.311 645 W C -1.477 175.033 176.519 -0.014 0.000 1.088 645 W CA -0.625 56.622 57.345 -0.164 0.000 1.309 645 W CB 1.145 30.575 29.460 -0.051 0.000 1.229 645 W HN 0.919 nan 8.180 nan 0.000 0.427 646 Q N 4.099 123.624 119.800 -0.457 0.000 2.462 646 Q HA 0.229 4.572 4.340 0.005 0.000 0.285 646 Q C -0.509 175.141 176.000 -0.583 0.000 1.035 646 Q CA -0.841 54.306 55.803 -1.095 0.000 0.799 646 Q CB 1.837 29.440 28.738 -1.893 0.000 1.452 646 Q HN 0.383 nan 8.270 nan 0.000 0.404 647 L N 1.355 122.170 121.223 -0.679 0.000 2.027 647 L HA 0.041 4.384 4.340 0.005 0.000 0.206 647 L C 0.059 176.700 176.870 -0.381 0.000 1.074 647 L CA 2.103 56.685 54.840 -0.430 0.000 0.745 647 L CB -0.283 41.529 42.059 -0.412 0.000 0.898 647 L HN 0.912 nan 8.230 nan 0.000 0.433 648 N N -2.190 116.204 118.700 -0.509 0.000 2.774 648 N HA 0.262 5.005 4.740 0.005 0.000 0.264 648 N C -1.654 173.556 175.510 -0.500 0.000 1.415 648 N CA -0.662 52.126 53.050 -0.437 0.000 0.815 648 N CB 1.323 39.573 38.487 -0.394 0.000 1.514 648 N HN -0.119 nan 8.380 nan 0.000 0.523 649 D N -0.824 119.367 120.400 -0.349 0.000 2.527 649 D HA 0.309 4.952 4.640 0.005 0.000 0.233 649 D C 0.399 176.628 176.300 -0.117 0.000 1.063 649 D CA -0.366 53.467 54.000 -0.279 0.000 0.880 649 D CB 2.185 42.882 40.800 -0.171 0.000 1.457 649 D HN 0.602 nan 8.370 nan 0.000 0.475 650 S N -0.021 115.670 115.700 -0.014 0.000 2.548 650 S HA 0.142 4.615 4.470 0.005 0.000 0.215 650 S C 0.420 175.017 174.600 -0.006 0.000 0.976 650 S CA -0.208 58.066 58.200 0.124 0.000 0.908 650 S CB 0.205 63.551 63.200 0.244 0.000 0.781 650 S HN 0.599 nan 8.310 nan 0.000 0.519 651 W N -0.771 120.124 121.300 -0.675 0.000 2.929 651 W HA 0.494 5.157 4.660 0.005 0.000 0.363 651 W C -3.870 172.107 176.519 -0.903 0.000 1.168 651 W CA -2.502 53.875 57.345 -1.613 0.000 1.163 651 W CB -0.314 28.087 29.460 -1.766 0.000 1.455 651 W HN -0.246 nan 8.180 nan 0.000 0.568 652 P HA 0.335 nan 4.420 nan 0.000 0.270 652 P C -0.439 176.113 177.300 -1.246 0.000 1.242 652 P CA 0.522 63.237 63.100 -0.641 0.000 0.768 652 P CB 1.244 32.919 31.700 -0.043 0.000 0.820 653 V N 4.220 123.591 119.914 -0.905 0.000 3.264 653 V HA 0.256 4.379 4.120 0.005 0.000 0.294 653 V C -1.201 174.582 176.094 -0.519 0.000 1.429 653 V CA -0.911 60.818 62.300 -0.953 0.000 1.053 653 V CB 2.598 33.770 31.823 -1.086 0.000 1.128 653 V HN 0.034 nan 8.190 nan 0.000 0.452 654 V N 4.259 123.865 119.914 -0.513 0.000 2.432 654 V HA 0.783 4.906 4.120 0.005 0.000 0.271 654 V C 0.312 176.122 176.094 -0.474 0.000 1.046 654 V CA 0.842 62.817 62.300 -0.542 0.000 0.945 654 V CB 0.742 32.088 31.823 -0.795 0.000 0.992 654 V HN 1.167 nan 8.190 nan 0.000 0.471 655 S N 3.967 119.381 115.700 -0.477 0.000 2.672 655 S HA 0.414 4.887 4.470 0.005 0.000 0.271 655 S C -0.150 174.129 174.600 -0.536 0.000 1.171 655 S CA -0.844 57.069 58.200 -0.477 0.000 0.817 655 S CB 1.097 64.240 63.200 -0.094 0.000 1.150 655 S HN 0.540 nan 8.310 nan 0.000 0.478 656 W N 2.503 123.653 121.300 -0.249 0.000 2.961 656 W HA 0.144 4.807 4.660 0.005 0.000 0.240 656 W C 1.115 177.464 176.519 -0.282 0.000 1.305 656 W CA 0.214 57.408 57.345 -0.251 0.000 1.465 656 W CB -0.830 28.627 29.460 -0.005 0.000 1.135 656 W HN 0.763 nan 8.180 nan 0.000 0.688 657 S N 0.442 116.057 115.700 -0.141 0.000 2.584 657 S HA 0.089 4.562 4.470 0.005 0.000 0.270 657 S C 1.237 175.727 174.600 -0.183 0.000 1.346 657 S CA 0.142 58.211 58.200 -0.218 0.000 1.018 657 S CB 1.640 64.678 63.200 -0.271 0.000 0.899 657 S HN 0.117 nan 8.310 nan 0.000 0.542 658 S N 0.458 116.074 115.700 -0.141 0.000 2.503 658 S HA 0.319 4.792 4.470 0.005 0.000 0.215 658 S C 0.234 174.718 174.600 -0.193 0.000 1.003 658 S CA -0.389 57.722 58.200 -0.149 0.000 0.910 658 S CB -0.616 62.574 63.200 -0.017 0.000 0.790 658 S HN 0.692 nan 8.310 nan 0.000 0.514 659 I N 3.279 123.708 120.570 -0.236 0.000 2.478 659 I HA 0.336 4.509 4.170 0.005 0.000 0.287 659 I C -0.932 175.085 176.117 -0.167 0.000 1.042 659 I CA -0.966 60.188 61.300 -0.245 0.000 1.067 659 I CB 1.949 39.708 38.000 -0.402 0.000 1.233 659 I HN 0.127 nan 8.210 nan 0.000 0.431 660 D N 4.516 124.871 120.400 -0.074 0.000 2.393 660 D HA -0.082 4.561 4.640 0.005 0.000 0.246 660 D C 1.045 177.317 176.300 -0.047 0.000 1.275 660 D CA -0.028 53.946 54.000 -0.043 0.000 0.979 660 D CB 0.547 41.374 40.800 0.045 0.000 1.101 660 D HN 0.585 nan 8.370 nan 0.000 0.505 661 Y N -0.465 119.714 120.300 -0.202 0.000 2.256 661 Y HA -0.250 4.303 4.550 0.005 0.000 0.288 661 Y C 1.154 176.850 175.900 -0.341 0.000 1.155 661 Y CA 1.337 59.239 58.100 -0.331 0.000 1.203 661 Y CB -0.145 38.020 38.460 -0.491 0.000 0.980 661 Y HN 0.367 nan 8.280 nan 0.000 0.530 662 Y N 0.181 120.439 120.300 -0.070 0.000 2.502 662 Y HA 0.225 4.778 4.550 0.005 0.000 0.295 662 Y C 1.850 177.707 175.900 -0.072 0.000 1.193 662 Y CA 0.448 58.486 58.100 -0.104 0.000 1.295 662 Y CB -0.060 38.427 38.460 0.046 0.000 1.059 662 Y HN 0.274 nan 8.280 nan 0.000 0.514 663 G N -0.197 108.612 108.800 0.013 0.000 2.157 663 G HA2 -0.283 3.680 3.960 0.005 0.000 0.248 663 G HA3 -0.283 3.680 3.960 0.005 0.000 0.248 663 G C -0.076 174.920 174.900 0.161 0.000 0.979 663 G CA -0.215 44.910 45.100 0.041 0.000 0.650 663 G HN 0.316 nan 8.290 nan 0.000 0.529 664 N N 0.556 119.371 118.700 0.192 0.000 2.475 664 N HA 0.226 4.969 4.740 0.005 0.000 0.267 664 N C 0.031 175.726 175.510 0.308 0.000 1.169 664 N CA 0.098 53.309 53.050 0.268 0.000 0.947 664 N CB 0.374 39.020 38.487 0.266 0.000 1.061 664 N HN 0.236 nan 8.380 nan 0.000 0.466 665 W N 2.553 123.870 121.300 0.029 0.000 2.308 665 W HA 0.147 4.809 4.660 0.005 0.000 0.324 665 W C 1.113 177.673 176.519 0.068 0.000 1.387 665 W CA -0.360 56.935 57.345 -0.084 0.000 1.250 665 W CB -0.114 29.143 29.460 -0.339 0.000 1.257 665 W HN 0.197 nan 8.180 nan 0.000 0.554 666 K N 2.155 122.618 120.400 0.105 0.000 2.149 666 K HA 0.329 4.652 4.320 0.005 0.000 0.245 666 K C 1.285 177.774 176.600 -0.184 0.000 1.024 666 K CA 0.026 56.251 56.287 -0.104 0.000 0.899 666 K CB 0.551 32.910 32.500 -0.235 0.000 1.038 666 K HN 0.469 nan 8.250 nan 0.000 0.496 667 A N 1.312 123.595 122.820 -0.896 0.000 1.948 667 A HA -0.193 4.130 4.320 0.005 0.000 0.220 667 A C 1.973 179.358 177.584 -0.332 0.000 1.177 667 A CA 1.600 53.076 52.037 -0.934 0.000 0.636 667 A CB -0.530 17.561 19.000 -1.515 0.000 0.815 667 A HN 0.646 nan 8.150 nan 0.000 0.449 668 L N -1.052 119.929 121.223 -0.405 0.000 2.127 668 L HA -0.172 4.171 4.340 0.005 0.000 0.211 668 L C 2.168 178.788 176.870 -0.417 0.000 1.089 668 L CA 2.681 57.269 54.840 -0.420 0.000 0.757 668 L CB -0.854 40.921 42.059 -0.473 0.000 0.899 668 L HN 0.577 nan 8.230 nan 0.000 0.434 669 H N -2.080 116.743 119.070 -0.413 0.000 2.389 669 H HA -0.136 4.423 4.556 0.005 0.000 0.299 669 H C 1.825 176.884 175.328 -0.449 0.000 1.081 669 H CA 2.262 57.950 56.048 -0.600 0.000 1.345 669 H CB -0.124 29.022 29.762 -1.027 0.000 1.393 669 H HN 0.448 nan 8.280 nan 0.000 0.520 670 Y N 0.069 120.421 120.300 0.087 0.000 2.242 670 Y HA -0.195 4.358 4.550 0.005 0.000 0.291 670 Y C 2.547 178.422 175.900 -0.041 0.000 1.137 670 Y CA 1.022 59.240 58.100 0.197 0.000 1.181 670 Y CB -0.132 38.506 38.460 0.298 0.000 0.989 670 Y HN 0.248 nan 8.280 nan 0.000 0.527 671 Q N -0.154 119.634 119.800 -0.021 0.000 2.119 671 Q HA -0.104 4.239 4.340 0.005 0.000 0.201 671 Q C 2.583 178.388 176.000 -0.325 0.000 0.972 671 Q CA 1.260 56.968 55.803 -0.158 0.000 0.847 671 Q CB -0.637 27.959 28.738 -0.237 0.000 0.903 671 Q HN 0.532 nan 8.270 nan 0.000 0.433 672 A N 1.658 124.172 122.820 -0.510 0.000 1.902 672 A HA -0.215 4.108 4.320 0.005 0.000 0.217 672 A C 2.161 179.376 177.584 -0.614 0.000 1.181 672 A CA 1.785 53.349 52.037 -0.788 0.000 0.623 672 A CB -0.483 18.022 19.000 -0.825 0.000 0.818 672 A HN 0.319 nan 8.150 nan 0.000 0.443 673 K N -0.236 119.945 120.400 -0.364 0.000 2.020 673 K HA -0.243 4.080 4.320 0.005 0.000 0.212 673 K C 2.250 178.838 176.600 -0.020 0.000 1.050 673 K CA 1.911 58.139 56.287 -0.099 0.000 0.929 673 K CB -0.230 32.297 32.500 0.044 0.000 0.714 673 K HN 0.463 nan 8.250 nan 0.000 0.443 674 R N -0.174 120.305 120.500 -0.035 0.000 2.083 674 R HA -0.106 4.237 4.340 0.005 0.000 0.237 674 R C 2.413 178.685 176.300 -0.047 0.000 1.137 674 R CA 1.433 57.526 56.100 -0.013 0.000 0.951 674 R CB -0.433 29.865 30.300 -0.002 0.000 0.851 674 R HN 0.299 nan 8.270 nan 0.000 0.434 675 A N 0.125 122.850 122.820 -0.158 0.000 2.067 675 A HA -0.077 4.246 4.320 0.005 0.000 0.219 675 A C 1.228 178.826 177.584 0.023 0.000 1.158 675 A CA 0.988 52.930 52.037 -0.157 0.000 0.661 675 A CB -0.142 18.662 19.000 -0.328 0.000 0.801 675 A HN 0.199 nan 8.150 nan 0.000 0.452 676 F N -0.481 119.451 119.950 -0.030 0.000 2.695 676 F HA 0.461 4.991 4.527 0.005 0.000 0.303 676 F C 1.429 177.224 175.800 -0.009 0.000 1.091 676 F CA -0.977 57.014 58.000 -0.015 0.000 1.300 676 F CB -0.846 38.144 39.000 -0.016 0.000 1.071 676 F HN 0.160 nan 8.300 nan 0.000 0.578 677 A N 1.692 124.611 122.820 0.164 0.000 2.584 677 A HA 0.068 4.391 4.320 0.005 0.000 0.239 677 A C -1.187 176.452 177.584 0.091 0.000 1.043 677 A CA -0.646 51.456 52.037 0.108 0.000 0.756 677 A CB -0.297 18.745 19.000 0.071 0.000 0.963 677 A HN 0.100 nan 8.150 nan 0.000 0.511 678 P HA -0.109 nan 4.420 nan 0.000 0.216 678 P C 0.078 177.420 177.300 0.071 0.000 1.154 678 P CA 1.182 64.332 63.100 0.084 0.000 0.865 678 P CB 0.013 31.770 31.700 0.095 0.000 0.789 679 V N 0.239 120.189 119.914 0.060 0.000 2.417 679 V HA 0.404 4.527 4.120 0.005 0.000 0.291 679 V C -0.321 175.793 176.094 0.034 0.000 1.024 679 V CA -0.693 61.634 62.300 0.044 0.000 0.861 679 V CB 1.675 33.523 31.823 0.042 0.000 0.985 679 V HN -0.161 nan 8.190 nan 0.000 0.436 680 L N 6.507 127.745 121.223 0.025 0.000 2.410 680 L HA 0.668 5.011 4.340 0.005 0.000 0.270 680 L C -0.743 176.138 176.870 0.018 0.000 0.983 680 L CA -0.107 54.743 54.840 0.018 0.000 0.822 680 L CB 1.810 43.874 42.059 0.008 0.000 1.285 680 L HN 0.565 nan 8.230 nan 0.000 0.409 681 I N 4.662 125.241 120.570 0.015 0.000 2.325 681 I HA 0.301 4.474 4.170 0.005 0.000 0.291 681 I C 0.162 176.291 176.117 0.021 0.000 1.019 681 I CA 0.026 61.338 61.300 0.020 0.000 1.302 681 I CB 0.729 38.733 38.000 0.007 0.000 1.401 681 I HN 0.636 nan 8.210 nan 0.000 0.485 682 N N 8.841 127.566 118.700 0.042 0.000 2.626 682 N HA 0.335 5.078 4.740 0.005 0.000 0.242 682 N C -2.654 172.887 175.510 0.052 0.000 1.005 682 N CA -1.618 51.448 53.050 0.027 0.000 0.905 682 N CB 1.405 39.886 38.487 -0.011 0.000 1.128 682 N HN 0.238 nan 8.380 nan 0.000 0.512 683 P HA 0.171 nan 4.420 nan 0.000 0.276 683 P C -0.796 176.450 177.300 -0.089 0.000 1.243 683 P CA -0.318 62.725 63.100 -0.095 0.000 0.768 683 P CB 1.221 32.735 31.700 -0.310 0.000 0.856 684 I N 2.369 122.929 120.570 -0.017 0.000 2.478 684 I HA 0.317 4.489 4.170 0.005 0.000 0.287 684 I C -0.823 175.349 176.117 0.091 0.000 1.042 684 I CA -0.781 60.545 61.300 0.044 0.000 1.067 684 I CB 1.905 39.907 38.000 0.002 0.000 1.233 684 I HN 0.267 nan 8.210 nan 0.000 0.431 685 Q N 7.104 127.003 119.800 0.164 0.000 2.333 685 Q HA 0.604 4.947 4.340 0.005 0.000 0.265 685 Q C -1.690 174.420 176.000 0.183 0.000 0.989 685 Q CA -0.529 55.398 55.803 0.206 0.000 0.842 685 Q CB 1.217 30.160 28.738 0.341 0.000 1.262 685 Q HN 0.746 nan 8.270 nan 0.000 0.451 686 Q N 2.654 122.542 119.800 0.147 0.000 2.379 686 Q HA 0.365 4.708 4.340 0.005 0.000 0.278 686 Q C -0.774 175.286 176.000 0.100 0.000 1.068 686 Q CA -0.963 54.910 55.803 0.117 0.000 0.816 686 Q CB 1.751 30.550 28.738 0.102 0.000 1.387 686 Q HN 0.801 nan 8.270 nan 0.000 0.413 687 N N 1.898 120.647 118.700 0.081 0.000 2.735 687 N HA -0.218 4.525 4.740 0.005 0.000 0.248 687 N C -0.784 174.768 175.510 0.070 0.000 1.083 687 N CA 1.597 54.686 53.050 0.066 0.000 0.703 687 N CB -0.808 37.714 38.487 0.058 0.000 1.005 687 N HN 1.016 nan 8.380 nan 0.000 0.550 688 D N -1.363 119.086 120.400 0.082 0.000 2.870 688 D HA -0.166 4.477 4.640 0.005 0.000 0.228 688 D C -0.832 175.531 176.300 0.106 0.000 1.147 688 D CA 1.616 55.665 54.000 0.082 0.000 0.757 688 D CB -0.862 39.969 40.800 0.052 0.000 1.091 688 D HN 0.545 nan 8.370 nan 0.000 0.429 689 S N -0.922 114.857 115.700 0.132 0.000 2.546 689 S HA 0.704 5.177 4.470 0.005 0.000 0.274 689 S C -1.674 173.041 174.600 0.191 0.000 1.121 689 S CA -0.945 57.346 58.200 0.153 0.000 0.887 689 S CB 1.365 64.627 63.200 0.104 0.000 1.094 689 S HN 0.305 nan 8.310 nan 0.000 0.474 690 L N 3.373 124.739 121.223 0.239 0.000 2.313 690 L HA 0.768 5.111 4.340 0.005 0.000 0.283 690 L C -0.518 176.464 176.870 0.186 0.000 1.013 690 L CA 0.279 55.267 54.840 0.247 0.000 0.816 690 L CB 1.650 43.953 42.059 0.407 0.000 1.236 690 L HN 0.624 nan 8.230 nan 0.000 0.419 691 S N 3.087 118.883 115.700 0.160 0.000 2.578 691 S HA 0.818 5.291 4.470 0.005 0.000 0.301 691 S C -1.048 173.666 174.600 0.190 0.000 1.091 691 S CA -0.602 57.692 58.200 0.157 0.000 1.032 691 S CB 2.022 65.350 63.200 0.212 0.000 1.064 691 S HN 0.419 nan 8.310 nan 0.000 0.508 692 V N 2.873 122.882 119.914 0.158 0.000 2.444 692 V HA 0.424 4.547 4.120 0.005 0.000 0.294 692 V C -1.410 174.720 176.094 0.060 0.000 1.022 692 V CA -0.643 61.744 62.300 0.144 0.000 0.850 692 V CB 0.631 32.523 31.823 0.116 0.000 0.992 692 V HN 0.843 nan 8.190 nan 0.000 0.426 693 Y N 4.181 124.484 120.300 0.006 0.000 2.387 693 Y HA 0.648 5.200 4.550 0.005 0.000 0.330 693 Y C 0.158 176.052 175.900 -0.010 0.000 1.133 693 Y CA -0.846 57.252 58.100 -0.003 0.000 1.152 693 Y CB 1.813 40.261 38.460 -0.020 0.000 1.215 693 Y HN 0.423 nan 8.280 nan 0.000 0.466 694 L N 5.031 126.317 121.223 0.104 0.000 2.296 694 L HA 0.535 4.877 4.340 0.005 0.000 0.286 694 L C -0.911 176.005 176.870 0.076 0.000 1.023 694 L CA -0.481 54.399 54.840 0.066 0.000 0.812 694 L CB 1.105 43.179 42.059 0.025 0.000 1.223 694 L HN 0.504 nan 8.230 nan 0.000 0.421 695 I N 2.404 123.004 120.570 0.050 0.000 2.436 695 I HA 0.348 4.521 4.170 0.005 0.000 0.289 695 I C -0.182 175.943 176.117 0.014 0.000 1.010 695 I CA -0.173 61.139 61.300 0.020 0.000 1.098 695 I CB 2.095 40.080 38.000 -0.025 0.000 1.266 695 I HN 0.500 nan 8.210 nan 0.000 0.434 696 S N 3.876 119.588 115.700 0.020 0.000 2.594 696 S HA 0.376 4.849 4.470 0.005 0.000 0.296 696 S C -0.386 174.257 174.600 0.071 0.000 1.124 696 S CA -0.653 57.574 58.200 0.044 0.000 1.011 696 S CB 1.186 64.416 63.200 0.049 0.000 1.016 696 S HN 0.567 nan 8.310 nan 0.000 0.485 697 D N 3.149 123.614 120.400 0.108 0.000 2.388 697 D HA 0.185 4.828 4.640 0.005 0.000 0.221 697 D C 0.422 176.922 176.300 0.334 0.000 1.133 697 D CA 0.006 54.139 54.000 0.222 0.000 0.831 697 D CB 0.351 41.262 40.800 0.185 0.000 0.962 697 D HN 0.487 nan 8.370 nan 0.000 0.502 698 R N 0.139 120.753 120.500 0.191 0.000 2.738 698 R HA 0.258 4.601 4.340 0.005 0.000 0.268 698 R C 1.513 177.830 176.300 0.029 0.000 1.062 698 R CA -0.250 55.935 56.100 0.141 0.000 1.158 698 R CB 1.204 31.549 30.300 0.076 0.000 1.046 698 R HN -0.004 nan 8.270 nan 0.000 0.493 699 L N 0.713 121.862 121.223 -0.124 0.000 2.418 699 L HA -0.006 4.337 4.340 0.005 0.000 0.218 699 L C 0.405 177.187 176.870 -0.146 0.000 1.125 699 L CA 0.401 55.072 54.840 -0.281 0.000 0.835 699 L CB -0.307 41.479 42.059 -0.456 0.000 0.953 699 L HN 0.714 nan 8.230 nan 0.000 0.454 700 D N -0.989 119.367 120.400 -0.073 0.000 2.181 700 D HA 0.146 4.788 4.640 0.005 0.000 0.248 700 D C -0.237 176.052 176.300 -0.017 0.000 1.020 700 D CA -0.388 53.587 54.000 -0.043 0.000 0.891 700 D CB 1.299 42.083 40.800 -0.027 0.000 1.187 700 D HN -0.277 nan 8.370 nan 0.000 0.443 701 T N 1.716 116.263 114.554 -0.013 0.000 2.869 701 T HA 0.289 4.642 4.350 0.005 0.000 0.295 701 T C 0.464 175.168 174.700 0.007 0.000 0.987 701 T CA -0.373 61.727 62.100 0.000 0.000 1.109 701 T CB 0.474 69.341 68.868 -0.001 0.000 0.932 701 T HN 0.250 nan 8.240 nan 0.000 0.518 702 M N 3.217 122.826 119.600 0.014 0.000 2.238 702 M HA 0.410 4.893 4.480 0.005 0.000 0.350 702 M C 0.115 176.425 176.300 0.017 0.000 1.138 702 M CA -0.448 54.863 55.300 0.018 0.000 1.040 702 M CB 1.366 33.981 32.600 0.025 0.000 1.639 702 M HN 0.547 nan 8.290 nan 0.000 0.451 703 E N 1.516 121.726 120.200 0.017 0.000 2.277 703 E HA 0.334 4.687 4.350 0.005 0.000 0.266 703 E C -0.829 175.784 176.600 0.022 0.000 0.901 703 E CA -0.790 55.620 56.400 0.017 0.000 0.782 703 E CB 1.715 31.422 29.700 0.012 0.000 1.228 703 E HN 0.577 nan 8.360 nan 0.000 0.424 704 Q N 0.820 120.635 119.800 0.024 0.000 2.463 704 Q HA -0.186 4.157 4.340 0.005 0.000 0.299 704 Q C -0.507 175.517 176.000 0.041 0.000 1.353 704 Q CA 0.471 56.294 55.803 0.033 0.000 0.828 704 Q CB -1.120 27.635 28.738 0.028 0.000 1.157 704 Q HN 0.438 nan 8.270 nan 0.000 0.436 705 M N 0.151 119.771 119.600 0.034 0.000 2.342 705 M HA 0.383 4.866 4.480 0.005 0.000 0.332 705 M C 0.526 176.837 176.300 0.019 0.000 1.166 705 M CA 0.091 55.407 55.300 0.027 0.000 1.086 705 M CB 1.224 33.833 32.600 0.014 0.000 1.541 705 M HN -0.062 nan 8.290 nan 0.000 0.462 706 T N 3.027 117.581 114.554 -0.000 0.000 2.809 706 T HA 0.495 4.848 4.350 0.005 0.000 0.284 706 T C -0.695 173.942 174.700 -0.105 0.000 0.992 706 T CA -0.557 61.500 62.100 -0.071 0.000 0.957 706 T CB 1.244 70.089 68.868 -0.039 0.000 0.942 706 T HN 0.488 nan 8.240 nan 0.000 0.439 707 L N 3.799 124.935 121.223 -0.146 0.000 2.281 707 L HA 0.501 4.844 4.340 0.005 0.000 0.285 707 L C 0.139 176.886 176.870 -0.204 0.000 1.074 707 L CA 0.024 54.776 54.840 -0.148 0.000 0.817 707 L CB 0.483 42.458 42.059 -0.140 0.000 1.168 707 L HN 0.645 nan 8.230 nan 0.000 0.434 708 E N 5.597 125.703 120.200 -0.156 0.000 2.187 708 E HA 0.550 4.903 4.350 0.005 0.000 0.268 708 E C -1.400 175.125 176.600 -0.124 0.000 0.896 708 E CA -0.620 55.690 56.400 -0.151 0.000 0.766 708 E CB 1.170 30.810 29.700 -0.100 0.000 1.142 708 E HN 0.722 nan 8.360 nan 0.000 0.408 709 M N 3.603 123.118 119.600 -0.142 0.000 2.530 709 M HA 0.464 4.947 4.480 0.005 0.000 0.307 709 M C -1.073 175.212 176.300 -0.026 0.000 1.161 709 M CA -0.784 54.466 55.300 -0.082 0.000 0.903 709 M CB 2.351 34.877 32.600 -0.123 0.000 1.711 709 M HN 0.372 nan 8.290 nan 0.000 0.451 710 K N 0.160 120.575 120.400 0.024 0.000 2.546 710 K HA 0.693 5.016 4.320 0.005 0.000 0.264 710 K C -1.770 174.850 176.600 0.032 0.000 0.937 710 K CA -1.002 55.309 56.287 0.040 0.000 0.833 710 K CB 1.760 34.262 32.500 0.004 0.000 1.378 710 K HN 0.419 nan 8.250 nan 0.000 0.432 711 V N 2.595 122.542 119.914 0.054 0.000 2.432 711 V HA 0.291 4.413 4.120 0.005 0.000 0.271 711 V C -0.453 175.524 176.094 -0.195 0.000 1.046 711 V CA -0.558 61.727 62.300 -0.025 0.000 0.945 711 V CB 1.106 32.961 31.823 0.053 0.000 0.992 711 V HN 0.561 nan 8.190 nan 0.000 0.471 712 V N 4.686 124.307 119.914 -0.489 0.000 2.555 712 V HA 0.415 4.538 4.120 0.005 0.000 0.302 712 V C -0.222 175.533 176.094 -0.565 0.000 1.038 712 V CA -0.912 61.050 62.300 -0.564 0.000 0.887 712 V CB 2.158 33.541 31.823 -0.733 0.000 0.991 712 V HN 1.025 nan 8.190 nan 0.000 0.434 713 D N 2.567 122.814 120.400 -0.255 0.000 2.398 713 D HA 0.144 4.787 4.640 0.005 0.000 0.247 713 D C 0.679 177.094 176.300 0.192 0.000 1.227 713 D CA -0.468 53.451 54.000 -0.135 0.000 0.980 713 D CB 0.494 41.212 40.800 -0.135 0.000 1.106 713 D HN 0.228 nan 8.370 nan 0.000 0.493 714 F N -0.528 119.495 119.950 0.122 0.000 2.546 714 F HA 0.003 4.532 4.527 0.005 0.000 0.298 714 F C 1.445 177.316 175.800 0.119 0.000 1.120 714 F CA 0.309 58.431 58.000 0.203 0.000 1.456 714 F CB -0.631 38.475 39.000 0.175 0.000 1.088 714 F HN 0.323 nan 8.300 nan 0.000 0.572 715 D N -0.930 119.611 120.400 0.234 0.000 2.360 715 D HA 0.184 4.827 4.640 0.005 0.000 0.210 715 D C 2.103 178.468 176.300 0.109 0.000 1.047 715 D CA 0.970 55.050 54.000 0.134 0.000 0.854 715 D CB 0.402 41.253 40.800 0.084 0.000 0.936 715 D HN 0.325 nan 8.370 nan 0.000 0.514 716 G N 1.501 110.377 108.800 0.126 0.000 2.159 716 G HA2 -0.240 3.723 3.960 0.005 0.000 0.227 716 G HA3 -0.240 3.723 3.960 0.005 0.000 0.227 716 G C 0.358 175.280 174.900 0.037 0.000 0.986 716 G CA -0.216 44.943 45.100 0.098 0.000 0.651 716 G HN 0.275 nan 8.290 nan 0.000 0.523 717 K N 1.495 121.900 120.400 0.008 0.000 2.227 717 K HA 0.487 4.810 4.320 0.005 0.000 0.280 717 K C 0.128 176.697 176.600 -0.051 0.000 1.041 717 K CA -0.250 56.029 56.287 -0.012 0.000 0.905 717 K CB 0.440 32.934 32.500 -0.009 0.000 1.068 717 K HN 0.063 nan 8.250 nan 0.000 0.470 718 T N 5.024 119.553 114.554 -0.041 0.000 2.888 718 T HA 0.142 4.495 4.350 0.005 0.000 0.301 718 T C 0.222 174.896 174.700 -0.044 0.000 1.001 718 T CA -0.101 61.968 62.100 -0.052 0.000 1.147 718 T CB 0.191 69.044 68.868 -0.025 0.000 0.931 718 T HN 0.393 nan 8.240 nan 0.000 0.541 719 L N 3.458 124.650 121.223 -0.052 0.000 2.282 719 L HA 0.582 4.925 4.340 0.005 0.000 0.288 719 L C 1.279 178.160 176.870 0.019 0.000 1.033 719 L CA -0.566 54.255 54.840 -0.031 0.000 0.807 719 L CB 0.680 42.700 42.059 -0.065 0.000 1.209 719 L HN 0.980 nan 8.230 nan 0.000 0.423 720 G N 2.015 110.830 108.800 0.025 0.000 2.552 720 G HA2 -0.160 3.803 3.960 0.005 0.000 0.265 720 G HA3 -0.160 3.803 3.960 0.005 0.000 0.265 720 G C -0.346 174.572 174.900 0.029 0.000 1.234 720 G CA 0.157 45.285 45.100 0.046 0.000 0.944 720 G HN 0.887 nan 8.290 nan 0.000 0.568 721 K N -0.176 120.241 120.400 0.029 0.000 2.352 721 K HA 0.824 5.147 4.320 0.005 0.000 0.240 721 K C 0.457 177.061 176.600 0.007 0.000 1.017 721 K CA 0.129 56.423 56.287 0.012 0.000 0.851 721 K CB 0.715 nan 32.500 nan 0.000 1.261 721 K HN 0.925 nan 8.250 nan 0.000 0.451 722 K N 0.402 120.800 120.400 -0.005 0.000 2.518 722 K HA 0.188 4.511 4.320 0.005 0.000 0.276 722 K C -0.295 176.274 176.600 -0.052 0.000 0.974 722 K CA 0.341 56.615 56.287 -0.022 0.000 0.986 722 K CB 0.028 32.515 32.500 -0.022 0.000 0.901 722 K HN 0.501 nan 8.250 nan 0.000 0.497 723 I N 2.413 122.925 120.570 -0.096 0.000 2.377 723 I HA 0.152 4.325 4.170 0.005 0.000 0.293 723 I C -0.224 175.777 176.117 -0.193 0.000 0.987 723 I CA -0.463 60.740 61.300 -0.162 0.000 1.185 723 I CB 1.692 39.528 38.000 -0.274 0.000 1.341 723 I HN 0.443 nan 8.210 nan 0.000 0.455 724 Q N 4.576 124.270 119.800 -0.176 0.000 2.340 724 Q HA 0.640 4.982 4.340 0.005 0.000 0.268 724 Q C -1.474 174.336 176.000 -0.316 0.000 1.031 724 Q CA -0.651 54.981 55.803 -0.284 0.000 0.804 724 Q CB 2.753 31.339 28.738 -0.252 0.000 1.286 724 Q HN 0.474 nan 8.270 nan 0.000 0.448 725 V N 3.203 122.879 119.914 -0.396 0.000 2.349 725 V HA 0.369 4.492 4.120 0.005 0.000 0.284 725 V C -0.762 175.148 176.094 -0.307 0.000 1.014 725 V CA -0.816 61.339 62.300 -0.243 0.000 0.826 725 V CB 0.834 32.589 31.823 -0.112 0.000 1.009 725 V HN 0.800 nan 8.190 nan 0.000 0.431 726 H N 1.463 120.524 119.070 -0.015 0.000 2.530 726 H HA 0.560 5.119 4.556 0.004 0.000 0.342 726 H C 0.990 176.313 175.328 -0.007 0.000 1.312 726 H CA 0.167 56.208 56.048 -0.012 0.000 1.376 726 H CB 1.065 30.820 29.762 -0.011 0.000 1.692 726 H HN 0.697 nan 8.280 nan 0.000 0.622 727 S N -0.312 115.473 115.700 0.141 0.000 3.635 727 S HA -0.162 4.311 4.470 0.005 0.000 0.328 727 S C -0.343 174.280 174.600 0.038 0.000 1.135 727 S CA 0.097 58.339 58.200 0.070 0.000 0.942 727 S CB -1.718 61.516 63.200 0.057 0.000 0.930 727 S HN 0.340 nan 8.310 nan 0.000 0.512 728 L N 1.086 122.326 121.223 0.029 0.000 2.350 728 L HA 0.504 4.847 4.340 0.005 0.000 0.275 728 L C 0.670 177.548 176.870 0.012 0.000 1.099 728 L CA -0.086 54.760 54.840 0.011 0.000 0.808 728 L CB 0.869 42.926 42.059 -0.004 0.000 1.149 728 L HN 0.262 nan 8.230 nan 0.000 0.442 729 E N 1.727 121.932 120.200 0.008 0.000 2.202 729 E HA 0.519 4.872 4.350 0.005 0.000 0.272 729 E C -1.509 175.097 176.600 0.009 0.000 0.951 729 E CA -0.689 55.717 56.400 0.010 0.000 0.813 729 E CB 2.264 31.969 29.700 0.009 0.000 1.151 729 E HN 0.315 nan 8.360 nan 0.000 0.398 730 V N 4.894 124.816 119.914 0.013 0.000 2.380 730 V HA 0.267 4.390 4.120 0.005 0.000 0.268 730 V C -2.431 173.674 176.094 0.019 0.000 1.008 730 V CA -1.660 60.650 62.300 0.017 0.000 0.823 730 V CB 0.739 32.574 31.823 0.021 0.000 1.053 730 V HN 0.621 nan 8.190 nan 0.000 0.446 731 P HA 0.203 nan 4.420 nan 0.000 0.269 731 P C 0.218 177.531 177.300 0.022 0.000 1.215 731 P CA 0.140 63.250 63.100 0.016 0.000 0.780 731 P CB 0.643 32.353 31.700 0.017 0.000 0.898 732 A N 2.915 125.742 122.820 0.012 0.000 2.565 732 A HA -0.003 4.320 4.320 0.005 0.000 0.237 732 A C 0.713 178.321 177.584 0.041 0.000 1.053 732 A CA 0.240 52.285 52.037 0.013 0.000 0.755 732 A CB -1.063 17.919 19.000 -0.029 0.000 0.980 732 A HN 0.732 nan 8.150 nan 0.000 0.506 733 N N -0.127 118.622 118.700 0.081 0.000 2.738 733 N HA -0.150 4.593 4.740 0.005 0.000 0.249 733 N C 0.006 175.567 175.510 0.085 0.000 1.047 733 N CA 1.647 54.772 53.050 0.124 0.000 0.707 733 N CB -1.431 37.153 38.487 0.161 0.000 0.937 733 N HN 1.291 nan 8.380 nan 0.000 0.545 734 T N -4.186 110.402 114.554 0.058 0.000 2.864 734 T HA 0.664 5.017 4.350 0.005 0.000 0.299 734 T C -0.447 174.276 174.700 0.038 0.000 1.166 734 T CA -0.728 61.401 62.100 0.048 0.000 1.007 734 T CB 2.656 71.552 68.868 0.047 0.000 1.219 734 T HN 0.048 nan 8.240 nan 0.000 0.506 735 S N 0.453 116.188 115.700 0.059 0.000 2.605 735 S HA 0.642 5.115 4.470 0.005 0.000 0.308 735 S C -1.296 173.406 174.600 0.170 0.000 1.113 735 S CA -0.763 57.501 58.200 0.106 0.000 1.049 735 S CB 0.212 63.453 63.200 0.069 0.000 1.001 735 S HN 0.736 nan 8.310 nan 0.000 0.480 736 K N 2.584 123.076 120.400 0.153 0.000 2.464 736 K HA 0.418 4.741 4.320 0.005 0.000 0.253 736 K C -1.145 175.319 176.600 -0.227 0.000 0.933 736 K CA -0.750 55.553 56.287 0.026 0.000 0.801 736 K CB 1.811 34.307 32.500 -0.006 0.000 1.271 736 K HN 0.619 nan 8.250 nan 0.000 0.430 737 C N 2.640 121.601 119.300 -0.564 0.000 2.514 737 C HA 0.305 4.768 4.460 0.005 0.000 0.392 737 C C 1.442 176.228 174.990 -0.339 0.000 1.294 737 C CA -0.187 58.315 59.018 -0.859 0.000 1.957 737 C CB -0.670 26.535 27.740 -0.891 0.000 2.541 737 C HN 0.721 nan 8.230 nan 0.000 0.569 738 V N 2.991 122.771 119.914 -0.223 0.000 3.398 738 V HA 0.414 4.537 4.120 0.005 0.000 0.298 738 V C -0.367 175.746 176.094 0.032 0.000 1.496 738 V CA -0.086 62.169 62.300 -0.075 0.000 1.044 738 V CB -0.810 30.991 31.823 -0.037 0.000 0.880 738 V HN 0.824 nan 8.190 nan 0.000 0.443 739 Y N 0.650 120.860 120.300 -0.150 0.000 2.409 739 Y HA 0.703 5.256 4.550 0.004 0.000 0.321 739 Y C -0.889 174.962 175.900 -0.083 0.000 1.209 739 Y CA -1.024 57.013 58.100 -0.106 0.000 1.086 739 Y CB 1.490 39.897 38.460 -0.088 0.000 1.320 739 Y HN 0.266 nan 8.280 nan 0.000 0.440 740 R N 4.296 124.346 120.500 -0.750 0.000 2.584 740 R HA 0.936 5.279 4.340 0.005 0.000 0.276 740 R C -2.089 173.841 176.300 -0.617 0.000 1.046 740 R CA -0.622 55.204 56.100 -0.456 0.000 0.906 740 R CB 1.731 31.885 30.300 -0.243 0.000 1.215 740 R HN 0.856 nan 8.270 nan 0.000 0.449 741 A N 2.097 124.762 122.820 -0.260 0.000 2.517 741 A HA 0.417 4.740 4.320 0.005 0.000 0.297 741 A C -1.207 176.452 177.584 0.124 0.000 1.050 741 A CA -0.837 51.123 52.037 -0.127 0.000 0.694 741 A CB 1.656 20.537 19.000 -0.198 0.000 1.277 741 A HN 0.473 nan 8.150 nan 0.000 0.400 742 K N 1.497 121.958 120.400 0.102 0.000 2.355 742 K HA 0.253 4.576 4.320 0.005 0.000 0.270 742 K C 1.259 178.021 176.600 0.270 0.000 1.003 742 K CA -0.096 56.279 56.287 0.147 0.000 0.957 742 K CB 0.703 33.254 32.500 0.084 0.000 0.939 742 K HN 0.593 nan 8.250 nan 0.000 0.482 743 L N 0.222 121.561 121.223 0.194 0.000 2.240 743 L HA 0.005 4.348 4.340 0.005 0.000 0.211 743 L C 1.034 177.947 176.870 0.070 0.000 1.106 743 L CA 0.620 55.523 54.840 0.106 0.000 0.793 743 L CB -0.215 41.813 42.059 -0.053 0.000 0.927 743 L HN 0.697 nan 8.230 nan 0.000 0.446 744 D N -0.023 120.418 120.400 0.069 0.000 2.383 744 D HA 0.324 4.967 4.640 0.005 0.000 0.252 744 D C 1.052 177.397 176.300 0.075 0.000 1.166 744 D CA 1.189 55.215 54.000 0.043 0.000 0.879 744 D CB 0.887 41.704 40.800 0.029 0.000 1.164 744 D HN 0.278 nan 8.370 nan 0.000 0.462 745 G N 3.338 112.176 108.800 0.062 0.000 2.234 745 G HA2 -0.318 3.645 3.960 0.005 0.000 0.235 745 G HA3 -0.318 3.645 3.960 0.005 0.000 0.235 745 G C 0.707 175.699 174.900 0.153 0.000 0.997 745 G CA 0.422 45.569 45.100 0.079 0.000 0.623 745 G HN 0.561 nan 8.290 nan 0.000 0.514 746 W N 1.045 122.313 121.300 -0.052 0.000 2.780 746 W HA 0.655 5.318 4.660 0.005 0.000 0.272 746 W C 0.355 176.811 176.519 -0.104 0.000 1.116 746 W CA 0.811 58.119 57.345 -0.061 0.000 1.600 746 W CB 0.059 29.493 29.460 -0.043 0.000 1.086 746 W HN 0.162 nan 8.180 nan 0.000 0.584 747 L N 1.997 123.079 121.223 -0.236 0.000 2.408 747 L HA 0.353 4.696 4.340 0.005 0.000 0.268 747 L C 0.536 177.243 176.870 -0.272 0.000 0.986 747 L CA -0.784 53.793 54.840 -0.438 0.000 0.820 747 L CB 1.932 43.441 42.059 -0.917 0.000 1.303 747 L HN -0.158 nan 8.230 nan 0.000 0.411 748 T N -1.566 112.862 114.554 -0.209 0.000 2.849 748 T HA 0.304 4.657 4.350 0.005 0.000 0.284 748 T C -1.978 172.627 174.700 -0.159 0.000 1.004 748 T CA -1.646 60.368 62.100 -0.143 0.000 1.021 748 T CB 1.283 70.089 68.868 -0.103 0.000 1.013 748 T HN 0.321 nan 8.240 nan 0.000 0.527 749 P HA -0.004 nan 4.420 nan 0.000 0.218 749 P C 1.745 178.989 177.300 -0.094 0.000 1.146 749 P CA 1.827 64.872 63.100 -0.091 0.000 0.813 749 P CB -0.252 31.414 31.700 -0.057 0.000 0.778 750 E N 0.273 120.416 120.200 -0.096 0.000 2.047 750 E HA -0.222 4.131 4.350 0.005 0.000 0.191 750 E C 1.729 178.248 176.600 -0.135 0.000 0.987 750 E CA 1.616 57.959 56.400 -0.095 0.000 0.799 750 E CB -1.659 27.992 29.700 -0.080 0.000 0.752 750 E HN 0.275 nan 8.360 nan 0.000 0.449 751 D N -0.049 120.246 120.400 -0.176 0.000 2.117 751 D HA -0.112 4.531 4.640 0.005 0.000 0.197 751 D C 2.139 178.290 176.300 -0.248 0.000 0.987 751 D CA 1.482 55.341 54.000 -0.235 0.000 0.829 751 D CB -0.717 39.906 40.800 -0.295 0.000 0.961 751 D HN 0.541 nan 8.370 nan 0.000 0.460 752 C N 0.663 119.816 119.300 -0.246 0.000 2.419 752 C HA -0.058 4.405 4.460 0.005 0.000 0.281 752 C C 2.413 177.435 174.990 0.053 0.000 1.336 752 C CA 0.291 59.235 59.018 -0.124 0.000 1.770 752 C CB -0.899 26.764 27.740 -0.128 0.000 1.929 752 C HN 0.327 nan 8.230 nan 0.000 0.509 753 R N 0.084 120.571 120.500 -0.022 0.000 2.275 753 R HA 0.066 4.409 4.340 0.005 0.000 0.199 753 R C 1.585 177.841 176.300 -0.075 0.000 0.989 753 R CA 0.573 56.686 56.100 0.021 0.000 1.016 753 R CB -0.006 30.293 30.300 -0.002 0.000 0.918 753 R HN 0.573 nan 8.270 nan 0.000 0.473 754 R N -0.424 119.876 120.500 -0.334 0.000 2.549 754 R HA 0.136 4.479 4.340 0.005 0.000 0.361 754 R C -0.251 175.244 176.300 -1.340 0.000 0.969 754 R CA 0.012 55.583 56.100 -0.883 0.000 1.158 754 R CB 1.360 31.383 30.300 -0.462 0.000 1.456 754 R HN 0.037 nan 8.270 nan 0.000 0.540 755 S N -0.126 115.194 115.700 -0.634 0.000 2.651 755 S HA 0.755 5.228 4.470 0.005 0.000 0.279 755 S C -0.751 174.042 174.600 0.322 0.000 1.148 755 S CA -0.938 57.138 58.200 -0.207 0.000 0.837 755 S CB 1.629 64.706 63.200 -0.204 0.000 1.138 755 S HN 0.164 nan 8.310 nan 0.000 0.478 756 F N -0.906 119.128 119.950 0.139 0.000 2.650 756 F HA 0.877 5.407 4.527 0.005 0.000 0.320 756 F C -1.498 174.233 175.800 -0.116 0.000 1.091 756 F CA -1.472 56.377 58.000 -0.251 0.000 0.962 756 F CB 0.962 39.478 39.000 -0.807 0.000 1.363 756 F HN 0.617 nan 8.300 nan 0.000 0.482 757 L N 2.527 123.710 121.223 -0.067 0.000 2.296 757 L HA 0.525 4.868 4.340 0.005 0.000 0.286 757 L C -0.555 176.395 176.870 0.134 0.000 1.023 757 L CA -0.471 54.404 54.840 0.060 0.000 0.812 757 L CB 1.336 43.462 42.059 0.112 0.000 1.223 757 L HN 0.772 nan 8.230 nan 0.000 0.421 758 K N 4.181 124.661 120.400 0.133 0.000 2.201 758 K HA 0.699 5.022 4.320 0.005 0.000 0.278 758 K C -1.559 175.075 176.600 0.058 0.000 1.027 758 K CA -0.438 55.927 56.287 0.131 0.000 0.909 758 K CB 0.719 33.303 32.500 0.140 0.000 1.062 758 K HN 0.542 nan 8.250 nan 0.000 0.465 759 L N 5.171 126.414 121.223 0.033 0.000 2.408 759 L HA 0.583 4.926 4.340 0.005 0.000 0.268 759 L C -0.782 176.080 176.870 -0.014 0.000 0.986 759 L CA -0.461 54.376 54.840 -0.005 0.000 0.820 759 L CB 1.785 43.839 42.059 -0.010 0.000 1.303 759 L HN 0.565 nan 8.230 nan 0.000 0.411 760 I N 2.879 123.428 120.570 -0.035 0.000 2.656 760 I HA 0.486 4.659 4.170 0.005 0.000 0.292 760 I C -1.530 174.556 176.117 -0.052 0.000 1.144 760 I CA -0.627 60.649 61.300 -0.039 0.000 1.038 760 I CB 2.660 40.638 38.000 -0.036 0.000 1.244 760 I HN 0.403 nan 8.210 nan 0.000 0.420 761 L N 7.747 128.942 121.223 -0.047 0.000 2.346 761 L HA 0.635 4.978 4.340 0.005 0.000 0.276 761 L C -1.065 175.779 176.870 -0.042 0.000 1.006 761 L CA -0.077 54.737 54.840 -0.043 0.000 0.817 761 L CB 1.232 43.275 42.059 -0.027 0.000 1.272 761 L HN 0.566 nan 8.230 nan 0.000 0.421 762 K N 1.631 122.014 120.400 -0.028 0.000 2.477 762 K HA 0.609 4.932 4.320 0.005 0.000 0.255 762 K C -1.341 175.274 176.600 0.024 0.000 0.952 762 K CA -0.878 55.403 56.287 -0.011 0.000 0.826 762 K CB 1.888 34.379 32.500 -0.015 0.000 1.331 762 K HN 0.542 nan 8.250 nan 0.000 0.437 763 D N 1.026 121.460 120.400 0.057 0.000 2.380 763 D HA -0.005 4.638 4.640 0.005 0.000 0.254 763 D C 0.873 177.210 176.300 0.062 0.000 1.288 763 D CA -0.409 53.631 54.000 0.067 0.000 1.008 763 D CB 0.595 41.450 40.800 0.092 0.000 1.099 763 D HN 0.530 nan 8.370 nan 0.000 0.537 764 K N -0.228 120.204 120.400 0.053 0.000 2.063 764 K HA -0.147 4.176 4.320 0.005 0.000 0.208 764 K C 1.864 178.492 176.600 0.047 0.000 1.048 764 K CA 1.927 58.242 56.287 0.047 0.000 0.928 764 K CB -0.861 31.659 32.500 0.033 0.000 0.713 764 K HN 0.477 nan 8.250 nan 0.000 0.442 765 S N -1.119 114.610 115.700 0.049 0.000 2.603 765 S HA 0.087 4.560 4.470 0.005 0.000 0.229 765 S C 1.275 175.914 174.600 0.065 0.000 0.972 765 S CA 0.643 58.873 58.200 0.049 0.000 0.935 765 S CB -0.604 62.620 63.200 0.041 0.000 0.769 765 S HN 0.555 nan 8.310 nan 0.000 0.536 766 G N 0.642 109.485 108.800 0.071 0.000 2.136 766 G HA2 -0.303 3.660 3.960 0.005 0.000 0.242 766 G HA3 -0.303 3.660 3.960 0.005 0.000 0.242 766 G C -0.083 174.863 174.900 0.076 0.000 0.989 766 G CA 0.289 45.426 45.100 0.062 0.000 0.682 766 G HN 0.916 nan 8.290 nan 0.000 0.522 767 H N 0.714 119.792 119.070 0.012 0.000 2.767 767 H HA 0.506 5.065 4.556 0.005 0.000 0.316 767 H C 0.649 175.983 175.328 0.009 0.000 1.059 767 H CA 0.242 56.295 56.048 0.010 0.000 1.461 767 H CB 0.650 30.418 29.762 0.009 0.000 1.475 767 H HN 0.394 nan 8.280 nan 0.000 0.531 768 Q N 4.533 124.034 119.800 -0.500 0.000 2.286 768 Q HA 0.147 4.490 4.340 0.005 0.000 0.267 768 Q C 0.536 176.295 176.000 -0.402 0.000 1.028 768 Q CA -0.081 55.513 55.803 -0.348 0.000 0.901 768 Q CB 0.685 29.281 28.738 -0.237 0.000 1.183 768 Q HN 0.768 nan 8.270 nan 0.000 0.392 769 V N 0.834 120.652 119.914 -0.159 0.000 3.661 769 V HA 0.648 4.771 4.120 0.005 0.000 0.271 769 V C 0.116 176.192 176.094 -0.031 0.000 1.315 769 V CA 0.642 62.908 62.300 -0.058 0.000 1.072 769 V CB 0.312 32.154 31.823 0.031 0.000 0.830 769 V HN 0.635 nan 8.190 nan 0.000 0.443 770 A N 0.817 123.611 122.820 -0.043 0.000 2.608 770 A HA 0.793 5.116 4.320 0.005 0.000 0.292 770 A C -1.046 176.520 177.584 -0.030 0.000 1.066 770 A CA -0.122 51.901 52.037 -0.022 0.000 0.676 770 A CB 1.488 20.486 19.000 -0.004 0.000 1.277 770 A HN 0.736 nan 8.150 nan 0.000 0.413 771 E N 0.078 120.267 120.200 -0.019 0.000 2.372 771 E HA 0.734 5.087 4.350 0.005 0.000 0.279 771 E C -1.096 175.502 176.600 -0.004 0.000 0.946 771 E CA -0.600 55.790 56.400 -0.015 0.000 0.769 771 E CB 1.949 31.636 29.700 -0.022 0.000 1.230 771 E HN 0.726 nan 8.360 nan 0.000 0.442 772 S N 1.149 116.851 115.700 0.004 0.000 2.627 772 S HA 0.676 5.149 4.470 0.005 0.000 0.283 772 S C -1.397 173.215 174.600 0.020 0.000 1.127 772 S CA -0.559 57.649 58.200 0.014 0.000 0.863 772 S CB 1.780 64.992 63.200 0.019 0.000 1.121 772 S HN 0.471 nan 8.310 nan 0.000 0.479 773 V N 2.734 122.659 119.914 0.019 0.000 2.680 773 V HA 0.582 4.705 4.120 0.005 0.000 0.309 773 V C -0.958 175.139 176.094 0.005 0.000 1.052 773 V CA -0.719 61.571 62.300 -0.016 0.000 0.908 773 V CB 1.524 33.281 31.823 -0.110 0.000 1.001 773 V HN 0.983 nan 8.190 nan 0.000 0.431 774 H N 2.755 121.689 119.070 -0.227 0.000 2.589 774 H HA 0.699 5.258 4.556 0.005 0.000 0.351 774 H C -1.740 173.237 175.328 -0.585 0.000 1.074 774 H CA -0.670 55.208 56.048 -0.283 0.000 1.203 774 H CB 1.411 31.019 29.762 -0.258 0.000 1.558 774 H HN 0.460 nan 8.280 nan 0.000 0.522 775 F N 4.363 123.801 119.950 -0.853 0.000 2.450 775 F HA 0.256 4.786 4.527 0.005 0.000 0.332 775 F C 0.168 175.409 175.800 -0.933 0.000 1.093 775 F CA -0.569 57.030 58.000 -0.668 0.000 1.003 775 F CB 1.011 39.847 39.000 -0.273 0.000 1.151 775 F HN 0.572 nan 8.300 nan 0.000 0.474 776 F N 0.639 120.544 119.950 -0.077 0.000 2.754 776 F HA 0.270 4.799 4.527 0.005 0.000 0.297 776 F C 0.891 176.680 175.800 -0.019 0.000 1.122 776 F CA 0.151 58.108 58.000 -0.072 0.000 1.400 776 F CB -0.005 38.959 39.000 -0.061 0.000 1.117 776 F HN 0.139 nan 8.300 nan 0.000 0.587 777 R N 0.179 120.773 120.500 0.156 0.000 2.867 777 R HA 0.369 4.712 4.340 0.005 0.000 0.268 777 R C -0.338 175.949 176.300 -0.022 0.000 1.014 777 R CA -1.102 55.041 56.100 0.070 0.000 0.946 777 R CB 1.126 31.477 30.300 0.085 0.000 1.208 777 R HN -0.022 nan 8.270 nan 0.000 0.477 778 K N 0.298 120.649 120.400 -0.081 0.000 2.414 778 K HA 0.030 4.353 4.320 0.005 0.000 0.272 778 K C 0.982 177.443 176.600 -0.232 0.000 0.993 778 K CA 0.248 56.421 56.287 -0.191 0.000 0.964 778 K CB 0.420 32.802 32.500 -0.196 0.000 0.925 778 K HN 0.422 nan 8.250 nan 0.000 0.487 779 T N 2.368 116.683 114.554 -0.399 0.000 2.699 779 T HA -0.217 4.136 4.350 0.005 0.000 0.268 779 T C 1.615 176.176 174.700 -0.232 0.000 1.036 779 T CA 1.872 63.746 62.100 -0.376 0.000 1.147 779 T CB -0.127 68.426 68.868 -0.525 0.000 0.862 779 T HN 0.659 nan 8.240 nan 0.000 0.446 780 K N 0.888 121.120 120.400 -0.280 0.000 2.280 780 K HA -0.111 4.212 4.320 0.005 0.000 0.202 780 K C 1.039 177.564 176.600 -0.125 0.000 1.047 780 K CA 1.580 57.754 56.287 -0.189 0.000 0.942 780 K CB -0.008 32.379 32.500 -0.188 0.000 0.739 780 K HN 0.212 nan 8.250 nan 0.000 0.457 781 D N 0.923 121.266 120.400 -0.094 0.000 2.360 781 D HA 0.128 4.771 4.640 0.005 0.000 0.210 781 D C 0.436 176.753 176.300 0.028 0.000 1.047 781 D CA 0.118 54.096 54.000 -0.037 0.000 0.854 781 D CB 0.185 40.963 40.800 -0.036 0.000 0.936 781 D HN 0.182 nan 8.370 nan 0.000 0.514 782 L N 0.989 122.248 121.223 0.060 0.000 2.417 782 L HA 0.174 4.517 4.340 0.005 0.000 0.268 782 L C 0.816 177.828 176.870 0.237 0.000 1.158 782 L CA -0.052 54.911 54.840 0.204 0.000 0.819 782 L CB 0.645 42.846 42.059 0.237 0.000 1.112 782 L HN -0.335 nan 8.230 nan 0.000 0.458 783 Q N 3.553 123.543 119.800 0.316 0.000 2.963 783 Q HA 0.327 4.670 4.340 0.005 0.000 0.262 783 Q C -0.914 175.329 176.000 0.404 0.000 1.318 783 Q CA -0.272 55.689 55.803 0.263 0.000 1.089 783 Q CB 0.321 29.143 28.738 0.140 0.000 1.424 783 Q HN 0.484 nan 8.270 nan 0.000 0.560 784 L N 3.607 125.033 121.223 0.339 0.000 2.410 784 L HA 0.239 4.582 4.340 0.005 0.000 0.273 784 L C -1.879 175.110 176.870 0.198 0.000 1.152 784 L CA -1.757 53.226 54.840 0.238 0.000 0.855 784 L CB -0.099 42.011 42.059 0.086 0.000 1.129 784 L HN 0.196 nan 8.230 nan 0.000 0.463 785 P HA 0.238 nan 4.420 nan 0.000 0.279 785 P C -2.589 174.754 177.300 0.071 0.000 1.239 785 P CA -1.953 61.224 63.100 0.128 0.000 0.789 785 P CB 0.203 31.984 31.700 0.135 0.000 0.933 786 P HA 0.069 nan 4.420 nan 0.000 0.261 786 P C -0.115 177.209 177.300 0.041 0.000 1.173 786 P CA 1.014 64.140 63.100 0.043 0.000 0.760 786 P CB 0.185 31.902 31.700 0.028 0.000 0.783 787 T N 1.824 116.414 114.554 0.059 0.000 2.885 787 T HA 0.416 4.769 4.350 0.005 0.000 0.322 787 T C -1.142 173.583 174.700 0.041 0.000 1.387 787 T CA -0.425 61.675 62.100 -0.001 0.000 1.041 787 T CB 0.783 69.582 68.868 -0.115 0.000 1.287 787 T HN 0.030 nan 8.240 nan 0.000 0.491 788 S N 1.712 117.416 115.700 0.007 0.000 2.437 788 S HA 0.607 5.080 4.470 0.005 0.000 0.305 788 S C -0.408 174.184 174.600 -0.012 0.000 1.109 788 S CA -0.528 57.692 58.200 0.033 0.000 1.099 788 S CB 0.955 64.176 63.200 0.035 0.000 1.004 788 S HN 0.562 nan 8.310 nan 0.000 0.475 789 V N 4.842 124.759 119.914 0.005 0.000 2.385 789 V HA 0.366 4.489 4.120 0.005 0.000 0.269 789 V C 0.474 176.634 176.094 0.111 0.000 1.043 789 V CA -0.527 61.775 62.300 0.004 0.000 0.906 789 V CB 0.766 32.571 31.823 -0.030 0.000 0.995 789 V HN 0.931 nan 8.190 nan 0.000 0.467 790 S N 5.564 121.345 115.700 0.135 0.000 2.608 790 S HA 0.849 5.322 4.470 0.005 0.000 0.291 790 S C -0.845 173.895 174.600 0.234 0.000 1.146 790 S CA -0.632 57.648 58.200 0.134 0.000 1.043 790 S CB 1.496 64.754 63.200 0.096 0.000 1.037 790 S HN 0.765 nan 8.310 nan 0.000 0.520 791 Y N -1.067 119.253 120.300 0.033 0.000 2.562 791 Y HA 0.706 5.259 4.550 0.005 0.000 0.345 791 Y C -0.969 174.938 175.900 0.011 0.000 1.045 791 Y CA -1.278 56.838 58.100 0.028 0.000 1.028 791 Y CB 1.084 39.549 38.460 0.008 0.000 1.297 791 Y HN 0.629 nan 8.280 nan 0.000 0.463 792 Q N 3.410 123.289 119.800 0.131 0.000 2.312 792 Q HA 0.540 4.883 4.340 0.005 0.000 0.263 792 Q C -1.263 174.823 176.000 0.143 0.000 0.995 792 Q CA -1.066 54.772 55.803 0.060 0.000 0.853 792 Q CB 2.815 31.567 28.738 0.024 0.000 1.300 792 Q HN 0.843 nan 8.270 nan 0.000 0.448 793 M N 2.561 122.229 119.600 0.112 0.000 2.085 793 M HA 0.348 4.831 4.480 0.005 0.000 0.309 793 M C -1.465 174.862 176.300 0.046 0.000 0.947 793 M CA -0.403 54.964 55.300 0.113 0.000 0.918 793 M CB 0.874 33.574 32.600 0.166 0.000 1.504 793 M HN 0.269 nan 8.290 nan 0.000 0.420 794 K N 4.525 124.942 120.400 0.028 0.000 2.300 794 K HA 0.249 4.572 4.320 0.005 0.000 0.264 794 K C -1.214 175.384 176.600 -0.002 0.000 1.083 794 K CA -0.195 56.097 56.287 0.009 0.000 0.958 794 K CB 0.995 33.497 32.500 0.004 0.000 1.318 794 K HN 0.839 nan 8.250 nan 0.000 0.448 795 Q N 2.966 122.764 119.800 -0.004 0.000 2.331 795 Q HA 0.135 4.478 4.340 0.005 0.000 0.257 795 Q C -0.247 175.743 176.000 -0.015 0.000 0.957 795 Q CA -0.329 55.466 55.803 -0.014 0.000 0.923 795 Q CB 1.047 29.777 28.738 -0.013 0.000 1.212 795 Q HN 0.684 nan 8.270 nan 0.000 0.443 796 T N -0.042 114.500 114.554 -0.020 0.000 2.819 796 T HA 0.357 4.710 4.350 0.005 0.000 0.271 796 T C -0.156 174.531 174.700 -0.021 0.000 0.986 796 T CA -0.921 61.168 62.100 -0.018 0.000 0.989 796 T CB 0.638 69.497 68.868 -0.016 0.000 1.396 796 T HN 0.409 nan 8.240 nan 0.000 0.597 797 D N 0.459 120.848 120.400 -0.018 0.000 2.383 797 D HA 0.394 5.037 4.640 0.005 0.000 0.252 797 D C 1.424 177.709 176.300 -0.025 0.000 1.166 797 D CA 1.396 55.385 54.000 -0.019 0.000 0.879 797 D CB 0.740 41.532 40.800 -0.013 0.000 1.164 797 D HN 1.060 nan 8.370 nan 0.000 0.462 798 G N 2.854 111.636 108.800 -0.030 0.000 2.180 798 G HA2 -0.314 3.649 3.960 0.005 0.000 0.263 798 G HA3 -0.314 3.649 3.960 0.005 0.000 0.263 798 G C 0.467 175.336 174.900 -0.053 0.000 0.989 798 G CA 0.907 45.983 45.100 -0.038 0.000 0.692 798 G HN 0.559 nan 8.290 nan 0.000 0.526 799 K N -1.084 119.284 120.400 -0.053 0.000 2.523 799 K HA 0.610 4.933 4.320 0.005 0.000 0.257 799 K C -1.388 175.175 176.600 -0.061 0.000 0.932 799 K CA -0.706 55.545 56.287 -0.061 0.000 0.812 799 K CB 1.642 34.116 32.500 -0.044 0.000 1.326 799 K HN 0.142 nan 8.250 nan 0.000 0.433 800 C N 3.071 122.324 119.300 -0.078 0.000 2.442 800 C HA 0.356 4.819 4.460 0.005 0.000 0.335 800 C C -1.022 173.933 174.990 -0.059 0.000 1.134 800 C CA -0.668 58.309 59.018 -0.068 0.000 1.344 800 C CB 0.947 28.629 27.740 -0.097 0.000 1.956 800 C HN 0.804 nan 8.230 nan 0.000 0.438 801 E N 3.488 123.671 120.200 -0.029 0.000 2.109 801 E HA 0.515 4.868 4.350 0.005 0.000 0.278 801 E C -0.881 175.725 176.600 0.010 0.000 0.954 801 E CA -0.121 56.270 56.400 -0.014 0.000 0.779 801 E CB 1.023 30.719 29.700 -0.007 0.000 1.093 801 E HN 0.568 nan 8.360 nan 0.000 0.401 802 L N 2.306 123.536 121.223 0.012 0.000 2.325 802 L HA 0.484 4.827 4.340 0.005 0.000 0.278 802 L C 0.109 177.020 176.870 0.067 0.000 1.023 802 L CA -0.677 54.194 54.840 0.050 0.000 0.811 802 L CB 1.802 43.856 42.059 -0.008 0.000 1.249 802 L HN 0.388 nan 8.230 nan 0.000 0.431 803 T N 3.526 118.144 114.554 0.107 0.000 2.809 803 T HA 0.599 4.952 4.350 0.005 0.000 0.284 803 T C -0.538 174.259 174.700 0.162 0.000 0.992 803 T CA -0.382 61.780 62.100 0.104 0.000 0.957 803 T CB 1.175 70.088 68.868 0.075 0.000 0.942 803 T HN 0.114 nan 8.240 nan 0.000 0.439 804 L N 3.878 125.199 121.223 0.162 0.000 2.334 804 L HA 0.737 5.080 4.340 0.005 0.000 0.276 804 L C -0.774 176.236 176.870 0.232 0.000 1.014 804 L CA -0.637 54.318 54.840 0.192 0.000 0.815 804 L CB 1.322 43.466 42.059 0.142 0.000 1.268 804 L HN 0.618 nan 8.230 nan 0.000 0.428 805 F N 1.695 121.679 119.950 0.056 0.000 2.581 805 F HA 0.709 5.239 4.527 0.005 0.000 0.311 805 F C -0.613 175.194 175.800 0.011 0.000 1.113 805 F CA -0.234 57.784 58.000 0.030 0.000 0.935 805 F CB 2.075 41.089 39.000 0.022 0.000 1.232 805 F HN 0.358 nan 8.300 nan 0.000 0.445 806 S N 2.542 117.714 115.700 -0.880 0.000 2.572 806 S HA 0.343 4.816 4.470 0.005 0.000 0.274 806 S C 0.338 174.414 174.600 -0.873 0.000 1.150 806 S CA 0.027 57.843 58.200 -0.640 0.000 0.944 806 S CB 1.396 64.380 63.200 -0.360 0.000 1.071 806 S HN 0.924 nan 8.310 nan 0.000 0.479 807 S N 4.666 120.070 115.700 -0.493 0.000 2.453 807 S HA 0.186 4.659 4.470 0.005 0.000 0.231 807 S C 0.675 175.195 174.600 -0.133 0.000 1.005 807 S CA 0.432 58.487 58.200 -0.241 0.000 0.949 807 S CB -0.374 62.859 63.200 0.055 0.000 0.774 807 S HN 0.682 nan 8.310 nan 0.000 0.510 808 M N 0.670 120.191 119.600 -0.130 0.000 2.662 808 M HA 0.491 4.974 4.480 0.005 0.000 0.310 808 M C -0.888 175.347 176.300 -0.108 0.000 1.204 808 M CA -1.097 54.175 55.300 -0.046 0.000 0.891 808 M CB 1.884 34.484 32.600 0.000 0.000 1.732 808 M HN 0.152 nan 8.290 nan 0.000 0.467 809 L N 2.215 123.413 121.223 -0.043 0.000 2.601 809 L HA 0.309 4.652 4.340 0.005 0.000 0.277 809 L C -0.528 176.174 176.870 -0.281 0.000 1.219 809 L CA 0.620 55.359 54.840 -0.167 0.000 0.915 809 L CB 0.148 42.063 42.059 -0.240 0.000 1.160 809 L HN 0.727 nan 8.230 nan 0.000 0.494 810 A N 5.216 127.837 122.820 -0.332 0.000 2.304 810 A HA 0.589 4.912 4.320 0.005 0.000 0.314 810 A C -0.586 176.828 177.584 -0.285 0.000 1.187 810 A CA -0.823 50.938 52.037 -0.460 0.000 0.810 810 A CB 0.813 19.404 19.000 -0.681 0.000 1.183 810 A HN 0.662 nan 8.150 nan 0.000 0.487 811 K N 2.248 122.534 120.400 -0.190 0.000 2.201 811 K HA 0.335 4.657 4.320 0.005 0.000 0.278 811 K C -0.418 176.135 176.600 -0.078 0.000 1.027 811 K CA 0.031 56.209 56.287 -0.182 0.000 0.909 811 K CB 0.316 32.684 32.500 -0.220 0.000 1.062 811 K HN 0.674 nan 8.250 nan 0.000 0.465 812 D N 2.973 123.308 120.400 -0.109 0.000 2.735 812 D HA -0.238 4.405 4.640 0.005 0.000 0.235 812 D C 0.023 176.315 176.300 -0.013 0.000 1.175 812 D CA 1.071 55.045 54.000 -0.042 0.000 0.683 812 D CB -1.182 39.612 40.800 -0.010 0.000 1.008 812 D HN 0.636 nan 8.370 nan 0.000 0.416 813 I N -2.386 118.025 120.570 -0.265 0.000 2.692 813 I HA 0.323 4.496 4.170 0.005 0.000 0.284 813 I C -0.049 175.778 176.117 -0.483 0.000 1.159 813 I CA -0.324 60.765 61.300 -0.352 0.000 1.423 813 I CB 0.540 38.247 38.000 -0.488 0.000 1.380 813 I HN -0.102 nan 8.210 nan 0.000 0.580 814 F N 7.875 127.421 119.950 -0.675 0.000 2.403 814 F HA 0.584 5.114 4.527 0.005 0.000 0.355 814 F C -0.614 174.758 175.800 -0.713 0.000 1.119 814 F CA -1.918 55.513 58.000 -0.949 0.000 1.007 814 F CB 0.812 39.344 39.000 -0.779 0.000 1.194 814 F HN 0.367 nan 8.300 nan 0.000 0.443 815 I N 5.589 125.678 120.570 -0.801 0.000 2.308 815 I HA 0.209 4.382 4.170 0.005 0.000 0.293 815 I C -0.011 175.587 176.117 -0.865 0.000 1.078 815 I CA -0.027 60.861 61.300 -0.687 0.000 1.292 815 I CB 0.588 38.387 38.000 -0.335 0.000 1.423 815 I HN 0.551 nan 8.210 nan 0.000 0.493 816 E N 5.921 125.565 120.200 -0.927 0.000 2.171 816 E HA 0.485 4.838 4.350 0.005 0.000 0.271 816 E C -0.791 175.601 176.600 -0.346 0.000 0.916 816 E CA -0.569 55.309 56.400 -0.870 0.000 0.774 816 E CB 1.461 30.524 29.700 -1.063 0.000 1.128 816 E HN 0.653 nan 8.360 nan 0.000 0.403 817 T N 1.096 115.564 114.554 -0.143 0.000 2.893 817 T HA 0.454 4.807 4.350 0.005 0.000 0.291 817 T C -2.312 172.364 174.700 -0.040 0.000 1.028 817 T CA -1.895 60.156 62.100 -0.081 0.000 0.995 817 T CB 1.734 70.562 68.868 -0.067 0.000 1.051 817 T HN 0.220 nan 8.240 nan 0.000 0.470 818 P HA 0.205 nan 4.420 nan 0.000 0.249 818 P C 0.188 177.477 177.300 -0.018 0.000 1.229 818 P CA -0.307 62.780 63.100 -0.023 0.000 0.788 818 P CB -0.011 31.676 31.700 -0.023 0.000 1.072 819 L N 1.631 122.840 121.223 -0.023 0.000 2.385 819 L HA 0.143 4.486 4.340 0.005 0.000 0.281 819 L C 0.329 177.195 176.870 -0.007 0.000 1.106 819 L CA -0.019 54.806 54.840 -0.026 0.000 0.856 819 L CB -0.571 41.459 42.059 -0.049 0.000 1.186 819 L HN -0.086 nan 8.230 nan 0.000 0.453 820 Q N 4.002 123.792 119.800 -0.017 0.000 2.315 820 Q HA 0.178 4.521 4.340 0.005 0.000 0.289 820 Q C 1.244 177.266 176.000 0.036 0.000 1.044 820 Q CA 1.001 56.801 55.803 -0.005 0.000 0.920 820 Q CB 0.535 29.224 28.738 -0.082 0.000 1.214 820 Q HN 0.995 nan 8.270 nan 0.000 0.392 821 G N 1.750 110.602 108.800 0.086 0.000 2.175 821 G HA2 -0.347 3.616 3.960 0.005 0.000 0.265 821 G HA3 -0.347 3.616 3.960 0.005 0.000 0.265 821 G C 0.446 175.369 174.900 0.039 0.000 0.979 821 G CA 0.354 45.505 45.100 0.085 0.000 0.663 821 G HN 0.946 nan 8.290 nan 0.000 0.533 822 A N -0.004 122.824 122.820 0.012 0.000 2.565 822 A HA 0.521 4.844 4.320 0.005 0.000 0.237 822 A C 0.900 178.414 177.584 -0.118 0.000 1.053 822 A CA 0.645 52.623 52.037 -0.100 0.000 0.755 822 A CB 0.171 19.061 19.000 -0.183 0.000 0.980 822 A HN 0.603 nan 8.150 nan 0.000 0.506 823 R N 0.767 121.140 120.500 -0.212 0.000 2.474 823 R HA 0.526 4.869 4.340 0.005 0.000 0.295 823 R C -1.519 174.606 176.300 -0.291 0.000 0.980 823 R CA -0.187 55.788 56.100 -0.210 0.000 0.934 823 R CB 1.188 31.367 30.300 -0.201 0.000 1.101 823 R HN 0.752 nan 8.270 nan 0.000 0.469 824 Y N -0.481 119.710 120.300 -0.181 0.000 2.446 824 Y HA 0.088 4.641 4.550 0.005 0.000 0.345 824 Y C 1.424 177.284 175.900 -0.067 0.000 0.984 824 Y CA -0.630 57.427 58.100 -0.071 0.000 1.058 824 Y CB 2.261 40.737 38.460 0.027 0.000 1.220 824 Y HN 0.708 nan 8.280 nan 0.000 0.455 825 S N -0.418 115.346 115.700 0.107 0.000 2.402 825 S HA -0.033 4.440 4.470 0.005 0.000 0.229 825 S C 0.065 174.741 174.600 0.126 0.000 1.021 825 S CA 1.196 59.435 58.200 0.065 0.000 0.974 825 S CB 0.122 63.334 63.200 0.020 0.000 0.800 825 S HN 0.726 nan 8.310 nan 0.000 0.484 826 D N -0.517 119.980 120.400 0.160 0.000 2.623 826 D HA 0.611 5.254 4.640 0.005 0.000 0.241 826 D C -1.709 174.620 176.300 0.049 0.000 1.241 826 D CA -0.443 53.632 54.000 0.125 0.000 0.788 826 D CB 1.892 42.650 40.800 -0.069 0.000 1.413 826 D HN 0.083 nan 8.370 nan 0.000 0.429 827 N N 0.293 118.818 118.700 -0.291 0.000 3.127 827 N HA 0.322 5.065 4.740 0.005 0.000 0.239 827 N C -1.252 173.963 175.510 -0.491 0.000 1.407 827 N CA -0.438 52.245 53.050 -0.613 0.000 0.891 827 N CB 0.743 38.545 38.487 -1.141 0.000 1.447 827 N HN 0.441 nan 8.380 nan 0.000 0.507 828 F N -0.131 119.508 119.950 -0.518 0.000 2.983 828 F HA -0.208 4.322 4.527 0.005 0.000 0.288 828 F C -0.540 175.137 175.800 -0.205 0.000 0.980 828 F CA 0.702 58.495 58.000 -0.344 0.000 0.965 828 F CB -1.847 36.994 39.000 -0.265 0.000 0.967 828 F HN 0.349 nan 8.300 nan 0.000 0.800 829 F N -2.237 117.679 119.950 -0.057 0.000 2.620 829 F HA 0.763 5.293 4.527 0.005 0.000 0.320 829 F C -0.168 175.587 175.800 -0.075 0.000 1.069 829 F CA -1.910 56.056 58.000 -0.056 0.000 0.953 829 F CB 0.869 39.824 39.000 -0.075 0.000 1.322 829 F HN -0.191 nan 8.300 nan 0.000 0.479 830 D N 2.388 122.875 120.400 0.145 0.000 2.312 830 D HA 0.244 4.887 4.640 0.005 0.000 0.252 830 D C -0.726 175.637 176.300 0.104 0.000 1.150 830 D CA 0.027 54.033 54.000 0.011 0.000 0.870 830 D CB 2.088 42.886 40.800 -0.003 0.000 1.153 830 D HN 0.530 nan 8.370 nan 0.000 0.457 831 L N 3.883 125.097 121.223 -0.014 0.000 2.278 831 L HA 0.236 4.579 4.340 0.005 0.000 0.287 831 L C -0.670 176.135 176.870 -0.109 0.000 1.072 831 L CA -0.298 54.557 54.840 0.024 0.000 0.819 831 L CB 0.413 42.458 42.059 -0.023 0.000 1.176 831 L HN 0.220 nan 8.230 nan 0.000 0.435 832 L N 7.340 128.509 121.223 -0.090 0.000 2.350 832 L HA 0.426 4.769 4.340 0.005 0.000 0.275 832 L C -1.861 174.976 176.870 -0.056 0.000 1.099 832 L CA -2.080 52.699 54.840 -0.102 0.000 0.808 832 L CB 0.688 42.712 42.059 -0.057 0.000 1.149 832 L HN 0.498 nan 8.230 nan 0.000 0.442 833 P HA -0.043 nan 4.420 nan 0.000 0.260 833 P C 0.763 178.031 177.300 -0.054 0.000 1.185 833 P CA 0.615 63.703 63.100 -0.019 0.000 0.763 833 P CB 0.481 32.256 31.700 0.125 0.000 0.776 834 G N 2.556 111.204 108.800 -0.253 0.000 2.203 834 G HA2 -0.276 3.687 3.960 0.005 0.000 0.263 834 G HA3 -0.276 3.687 3.960 0.005 0.000 0.263 834 G C -0.143 174.818 174.900 0.102 0.000 1.012 834 G CA 0.010 45.053 45.100 -0.094 0.000 0.749 834 G HN 0.634 nan 8.290 nan 0.000 0.512 835 E N 0.576 120.773 120.200 -0.005 0.000 2.141 835 E HA 0.364 4.717 4.350 0.005 0.000 0.259 835 E C 0.491 177.146 176.600 0.091 0.000 0.883 835 E CA -0.859 55.588 56.400 0.078 0.000 0.744 835 E CB 1.185 30.914 29.700 0.048 0.000 1.150 835 E HN 0.208 nan 8.360 nan 0.000 0.420 836 R N 1.851 122.468 120.500 0.194 0.000 2.756 836 R HA 0.123 4.466 4.340 0.005 0.000 0.264 836 R C 0.080 176.429 176.300 0.082 0.000 1.026 836 R CA 0.029 56.247 56.100 0.197 0.000 1.121 836 R CB 0.210 30.619 30.300 0.182 0.000 0.999 836 R HN 0.469 nan 8.270 nan 0.000 0.449 837 K N 0.678 121.122 120.400 0.073 0.000 2.535 837 K HA 0.317 4.640 4.320 0.005 0.000 0.250 837 K C -1.168 175.438 176.600 0.010 0.000 0.948 837 K CA -0.552 55.733 56.287 -0.004 0.000 0.796 837 K CB 1.563 34.032 32.500 -0.052 0.000 1.216 837 K HN 0.452 nan 8.250 nan 0.000 0.432 838 K N 3.667 124.050 120.400 -0.028 0.000 2.183 838 K HA 0.516 4.839 4.320 0.005 0.000 0.274 838 K C -1.306 175.277 176.600 -0.028 0.000 1.009 838 K CA -0.739 55.542 56.287 -0.008 0.000 0.888 838 K CB 1.271 33.764 32.500 -0.012 0.000 1.078 838 K HN 0.423 nan 8.250 nan 0.000 0.459 839 V N 6.252 126.172 119.914 0.009 0.000 2.525 839 V HA 0.382 4.504 4.120 0.005 0.000 0.299 839 V C -0.504 175.594 176.094 0.007 0.000 1.034 839 V CA -0.828 61.488 62.300 0.027 0.000 0.863 839 V CB 1.678 33.567 31.823 0.110 0.000 0.999 839 V HN 0.700 nan 8.190 nan 0.000 0.423 840 I N 5.805 126.370 120.570 -0.009 0.000 2.321 840 I HA 0.460 4.633 4.170 0.005 0.000 0.291 840 I C -0.292 175.764 176.117 -0.102 0.000 0.998 840 I CA -0.157 61.115 61.300 -0.048 0.000 1.227 840 I CB 1.339 39.314 38.000 -0.042 0.000 1.368 840 I HN 0.417 nan 8.210 nan 0.000 0.466 841 I N 5.942 126.405 120.570 -0.179 0.000 2.353 841 I HA 0.363 4.536 4.170 0.005 0.000 0.293 841 I C 0.233 176.205 176.117 -0.241 0.000 0.992 841 I CA -0.289 60.805 61.300 -0.344 0.000 1.268 841 I CB 1.545 39.268 38.000 -0.462 0.000 1.387 841 I HN 0.573 nan 8.210 nan 0.000 0.478 842 T N 1.678 116.087 114.554 -0.242 0.000 2.893 842 T HA 0.725 5.078 4.350 0.005 0.000 0.291 842 T C -0.556 174.055 174.700 -0.148 0.000 1.028 842 T CA -0.839 61.168 62.100 -0.155 0.000 0.995 842 T CB 1.994 70.798 68.868 -0.108 0.000 1.051 842 T HN 0.571 nan 8.240 nan 0.000 0.470 843 S N 1.915 117.553 115.700 -0.102 0.000 2.560 843 S HA 0.487 4.960 4.470 0.005 0.000 0.283 843 S C -2.420 172.151 174.600 -0.048 0.000 1.141 843 S CA -1.079 57.077 58.200 -0.074 0.000 0.902 843 S CB 1.725 64.876 63.200 -0.082 0.000 1.104 843 S HN 0.513 nan 8.310 nan 0.000 0.454 844 P HA -0.025 nan 4.420 nan 0.000 0.226 844 P C 0.788 178.078 177.300 -0.018 0.000 1.146 844 P CA 0.672 63.761 63.100 -0.018 0.000 0.773 844 P CB 0.085 31.782 31.700 -0.005 0.000 0.772 845 R N -0.642 119.844 120.500 -0.024 0.000 2.359 845 R HA 0.284 4.627 4.340 0.005 0.000 0.231 845 R C 0.702 176.985 176.300 -0.029 0.000 0.913 845 R CA -0.545 55.543 56.100 -0.021 0.000 1.075 845 R CB -0.436 29.853 30.300 -0.017 0.000 1.087 845 R HN 0.307 nan 8.270 nan 0.000 0.515 846 I N 1.838 122.385 120.570 -0.038 0.000 2.337 846 I HA 0.111 4.284 4.170 0.005 0.000 0.291 846 I C 0.119 176.218 176.117 -0.030 0.000 1.046 846 I CA -0.039 61.236 61.300 -0.041 0.000 1.324 846 I CB 0.739 38.703 38.000 -0.059 0.000 1.409 846 I HN -0.350 nan 8.210 nan 0.000 0.494 847 K N 4.729 125.115 120.400 -0.024 0.000 2.159 847 K HA 0.280 4.603 4.320 0.005 0.000 0.266 847 K C 0.145 176.735 176.600 -0.016 0.000 0.975 847 K CA -0.644 55.633 56.287 -0.017 0.000 0.865 847 K CB 1.891 34.383 32.500 -0.013 0.000 1.087 847 K HN 0.253 nan 8.250 nan 0.000 0.446 851 E N -0.610 119.591 120.200 0.002 0.000 1.081 851 E HA -0.026 4.327 4.350 0.005 0.000 0.201 851 E C -0.431 176.166 176.600 -0.005 0.000 0.823 851 E CA 0.589 56.988 56.400 -0.002 0.000 0.808 851 E CB -0.811 nan 29.700 nan 0.000 4.889 851 E HN 0.158 nan 8.360 nan 0.000 0.550 852 L N 2.784 124.001 121.223 -0.010 0.000 2.410 852 L HA 0.577 4.920 4.340 0.005 0.000 0.273 852 L C -2.517 174.340 176.870 -0.022 0.000 1.144 852 L CA -1.801 53.021 54.840 -0.029 0.000 0.863 852 L CB 0.828 42.852 42.059 -0.058 0.000 1.140 852 L HN 0.031 nan 8.230 nan 0.000 0.463 853 P HA 0.162 nan 4.420 nan 0.000 0.266 853 P C -1.279 175.979 177.300 -0.070 0.000 1.215 853 P CA 0.021 63.103 63.100 -0.031 0.000 0.763 853 P CB 0.771 32.451 31.700 -0.033 0.000 0.806 854 V N 3.963 123.833 119.914 -0.073 0.000 2.577 854 V HA 0.409 4.532 4.120 0.005 0.000 0.303 854 V C -0.241 175.749 176.094 -0.173 0.000 1.042 854 V CA -0.538 61.653 62.300 -0.183 0.000 0.872 854 V CB 2.002 33.623 31.823 -0.337 0.000 0.998 854 V HN 0.461 nan 8.190 nan 0.000 0.423 855 N N 4.603 123.153 118.700 -0.251 0.000 2.442 855 N HA 0.533 5.276 4.740 0.005 0.000 0.274 855 N C -1.171 174.117 175.510 -0.371 0.000 1.002 855 N CA -0.367 52.533 53.050 -0.250 0.000 0.910 855 N CB 1.196 39.544 38.487 -0.232 0.000 1.244 855 N HN 0.627 nan 8.380 nan 0.000 0.492 856 I N 3.292 123.684 120.570 -0.296 0.000 2.312 856 I HA 0.284 4.457 4.170 0.005 0.000 0.290 856 I C 0.087 176.009 176.117 -0.325 0.000 1.008 856 I CA -0.629 60.468 61.300 -0.339 0.000 1.226 856 I CB 0.969 38.825 38.000 -0.240 0.000 1.371 856 I HN 0.302 nan 8.210 nan 0.000 0.468 857 K N 5.616 125.733 120.400 -0.471 0.000 2.156 857 K HA 0.680 5.003 4.320 0.005 0.000 0.254 857 K C -0.952 175.350 176.600 -0.497 0.000 0.950 857 K CA -0.848 55.083 56.287 -0.593 0.000 0.849 857 K CB 1.896 33.828 32.500 -0.946 0.000 1.100 857 K HN 0.652 nan 8.250 nan 0.000 0.434 858 H N -1.620 117.220 119.070 -0.383 0.000 2.990 858 H HA 0.321 4.880 4.556 0.005 0.000 0.343 858 H C 0.357 175.692 175.328 0.011 0.000 1.270 858 H CA -0.976 54.980 56.048 -0.153 0.000 1.118 858 H CB 0.458 30.118 29.762 -0.170 0.000 1.861 858 H HN 0.302 nan 8.280 nan 0.000 0.544 859 I N 0.029 120.721 120.570 0.204 0.000 2.179 859 I HA -0.169 4.004 4.170 0.005 0.000 0.242 859 I C 2.575 178.675 176.117 -0.028 0.000 1.088 859 I CA 1.171 62.574 61.300 0.172 0.000 1.357 859 I CB -0.779 37.312 38.000 0.153 0.000 1.051 859 I HN 0.747 nan 8.210 nan 0.000 0.409 860 R N 1.603 122.053 120.500 -0.084 0.000 2.127 860 R HA -0.193 4.150 4.340 0.005 0.000 0.238 860 R C 1.810 177.748 176.300 -0.604 0.000 1.134 860 R CA 1.407 57.287 56.100 -0.368 0.000 0.975 860 R CB -0.219 30.043 30.300 -0.065 0.000 0.865 860 R HN 0.500 nan 8.270 nan 0.000 0.447 861 E N -0.634 119.252 120.200 -0.524 0.000 2.338 861 E HA -0.100 4.253 4.350 0.005 0.000 0.197 861 E C 1.452 177.864 176.600 -0.314 0.000 1.007 861 E CA 1.460 57.591 56.400 -0.450 0.000 0.849 861 E CB 0.013 29.375 29.700 -0.563 0.000 0.774 861 E HN 0.516 nan 8.360 nan 0.000 0.506 862 T N -1.474 112.921 114.554 -0.265 0.000 3.113 862 T HA -0.055 4.298 4.350 0.005 0.000 0.256 862 T C 0.296 175.036 174.700 0.068 0.000 1.131 862 T CA 0.177 62.253 62.100 -0.040 0.000 1.074 862 T CB -0.322 68.623 68.868 0.128 0.000 0.944 862 T HN 0.251 nan 8.240 nan 0.000 0.516 863 Y N -1.312 118.992 120.300 0.007 0.000 2.670 863 Y HA 0.778 5.331 4.550 0.005 0.000 0.334 863 Y C -0.704 175.202 175.900 0.011 0.000 1.185 863 Y CA -1.985 56.124 58.100 0.015 0.000 1.053 863 Y CB 1.146 39.621 38.460 0.026 0.000 1.298 863 Y HN -0.232 nan 8.280 nan 0.000 0.459 864 K N 0.000 120.546 120.400 0.244 0.000 2.780 864 K HA 0.000 4.323 4.320 0.005 0.000 0.191 864 K CA 0.000 56.376 56.287 0.148 0.000 0.838 864 K CB 0.000 32.552 32.500 0.086 0.000 1.064 864 K HN 0.000 nan 8.250 nan 0.000 0.543