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 3gsz_1_A DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCGPEEEK LPINPLSNSL MRFHNKVYST TSRSASLRAK DATA SEQUENCE KVTFDRVQVL DAHYDSVLQD VKRAASKVSA RLLTVEEACA LTPPHSAKSR DATA SEQUENCE YGFGAKEVRS LSRRAVNHIR SVWEDLLEDQ HTPIDTTIMA KNEVFCIDXX DATA SEQUENCE XXXKKPARLI VYPDLGVRVC EKMALYDIAQ KLPKAIMGPS YGFQYSPAER DATA SEQUENCE VDFLLKAWGS KKDPMGFSYD TRCFDSTVTE RDIRTEESIY QACSLPQEAR DATA SEQUENCE TVIHSLTERL YVGGPMTNSK GQSCGYRRCR ASGVFTTSMG NTMTCYIKAL DATA SEQUENCE AACKAAGIVD PVMLVCGDDL VVISESQGNE EDERNLRAFT EAMTRYSAPP DATA SEQUENCE GDLPRPEYDL ELITSCSSNV SVALDSRGRR RYFLTRDPTT PITRAAWETV DATA SEQUENCE RHSPVNSWLG NIIQYAPTIW VRMVIMTHFF SILLAQDTLN QNLNFEMYGA DATA SEQUENCE VYSVNPLDLP AIIERLHGLE AFSLHTYSPH ELSRVAATLR KLGAPPLRAW DATA SEQUENCE KSRARAVRAS LIAQGARAAI CGRYLFNWAV KTKLKLTPLP EASRLDLSGW DATA SEQUENCE FTVGAGGGDI YHS 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.562 174.600 -0.064 0.000 1.055 1 S CA 0.000 58.172 58.200 -0.046 0.000 1.107 1 S CB 0.000 63.164 63.200 -0.060 0.000 0.593 2 M N 3.179 122.737 119.600 -0.071 0.000 2.217 2 M HA 0.289 4.769 4.480 -0.000 0.000 0.354 2 M C 1.922 178.100 176.300 -0.203 0.000 1.225 2 M CA -0.068 55.176 55.300 -0.093 0.000 1.137 2 M CB 0.711 33.284 32.600 -0.045 0.000 1.576 2 M HN 1.063 nan 8.290 nan 0.000 0.461 3 S N 2.929 118.432 115.700 -0.328 0.000 2.370 3 S HA -0.116 4.353 4.470 -0.000 0.000 0.226 3 S C 0.106 174.244 174.600 -0.769 0.000 1.033 3 S CA 1.084 58.944 58.200 -0.566 0.000 1.011 3 S CB -0.225 62.549 63.200 -0.711 0.000 0.852 3 S HN 0.637 nan 8.310 nan 0.000 0.457 4 Y N 0.831 120.992 120.300 -0.232 0.000 2.534 4 Y HA 0.566 5.116 4.550 -0.000 0.000 0.345 4 Y C 0.024 175.675 175.900 -0.415 0.000 1.031 4 Y CA -0.945 56.915 58.100 -0.399 0.000 1.022 4 Y CB 1.939 40.052 38.460 -0.579 0.000 1.292 4 Y HN 0.163 nan 8.280 nan 0.000 0.459 5 T N -2.343 111.999 114.554 -0.352 0.000 2.908 5 T HA 0.728 5.078 4.350 -0.000 0.000 0.290 5 T C -1.362 173.024 174.700 -0.524 0.000 1.034 5 T CA -0.850 61.078 62.100 -0.287 0.000 1.010 5 T CB 1.366 70.184 68.868 -0.084 0.000 1.068 5 T HN 0.534 nan 8.240 nan 0.000 0.481 6 W N 0.823 122.176 121.300 0.089 0.000 2.785 6 W HA 0.455 5.115 4.660 0.000 0.000 0.333 6 W C 1.387 177.935 176.519 0.047 0.000 1.062 6 W CA -0.794 56.587 57.345 0.060 0.000 1.233 6 W CB 2.094 31.575 29.460 0.035 0.000 1.413 6 W HN 0.940 nan 8.180 nan 0.000 0.489 7 T N -1.744 112.968 114.554 0.262 0.000 3.043 7 T HA 0.260 4.610 4.350 -0.000 0.000 0.263 7 T C 1.502 176.288 174.700 0.144 0.000 1.094 7 T CA 1.124 63.319 62.100 0.159 0.000 1.127 7 T CB -0.072 68.868 68.868 0.119 0.000 0.905 7 T HN 1.249 nan 8.240 nan 0.000 0.490 8 G N 1.131 110.033 108.800 0.170 0.000 2.218 8 G HA2 0.032 3.992 3.960 -0.000 0.000 0.216 8 G HA3 0.032 3.992 3.960 -0.000 0.000 0.216 8 G C 0.376 175.313 174.900 0.062 0.000 0.994 8 G CA -0.125 45.031 45.100 0.094 0.000 0.637 8 G HN 1.130 nan 8.290 nan 0.000 0.505 9 A N 0.682 123.550 122.820 0.080 0.000 2.520 9 A HA 0.601 4.921 4.320 -0.000 0.000 0.235 9 A C 0.837 178.447 177.584 0.043 0.000 1.065 9 A CA 0.402 52.474 52.037 0.057 0.000 0.764 9 A CB 0.180 19.219 19.000 0.066 0.000 1.002 9 A HN 0.911 nan 8.150 nan 0.000 0.502 10 L N 1.403 122.635 121.223 0.015 0.000 2.456 10 L HA 0.299 4.638 4.340 -0.000 0.000 0.257 10 L C 0.118 176.989 176.870 0.001 0.000 1.162 10 L CA -0.385 54.446 54.840 -0.014 0.000 0.808 10 L CB 0.697 42.746 42.059 -0.017 0.000 1.136 10 L HN 0.565 nan 8.230 nan 0.000 0.466 11 I N 1.241 121.795 120.570 -0.026 0.000 2.379 11 I HA 0.089 4.259 4.170 -0.000 0.000 0.290 11 I C 0.399 176.520 176.117 0.006 0.000 1.063 11 I CA -0.037 61.264 61.300 0.001 0.000 1.351 11 I CB 0.631 38.620 38.000 -0.018 0.000 1.410 11 I HN 0.633 nan 8.210 nan 0.000 0.505 12 T N 4.893 119.458 114.554 0.019 0.000 2.929 12 T HA 0.596 4.946 4.350 -0.000 0.000 0.284 12 T C -2.442 172.276 174.700 0.030 0.000 1.014 12 T CA -2.020 60.092 62.100 0.020 0.000 1.051 12 T CB 1.771 70.650 68.868 0.018 0.000 1.028 12 T HN 0.259 nan 8.240 nan 0.000 0.485 13 P HA 0.303 nan 4.420 nan 0.000 0.278 13 P C 0.483 177.805 177.300 0.037 0.000 1.258 13 P CA -0.744 62.379 63.100 0.039 0.000 0.811 13 P CB 1.086 32.810 31.700 0.039 0.000 1.063 14 C N 0.994 120.319 119.300 0.041 0.000 2.739 14 C HA 0.350 4.809 4.460 -0.000 0.000 0.285 14 C C 1.693 176.700 174.990 0.028 0.000 1.301 14 C CA 1.496 60.535 59.018 0.035 0.000 1.700 14 C CB -1.080 26.684 27.740 0.040 0.000 2.147 14 C HN 0.712 nan 8.230 nan 0.000 0.510 15 G N -0.154 108.666 108.800 0.032 0.000 3.122 15 G HA2 0.599 4.559 3.960 -0.000 0.000 0.180 15 G HA3 0.599 4.559 3.960 -0.000 0.000 0.180 15 G C -2.623 172.299 174.900 0.038 0.000 1.279 15 G CA -0.328 44.790 45.100 0.030 0.000 0.987 15 G HN 0.413 nan 8.290 nan 0.000 0.589 16 P HA 0.245 nan 4.420 nan 0.000 0.269 16 P C -1.056 176.285 177.300 0.067 0.000 1.209 16 P CA 0.265 63.394 63.100 0.049 0.000 0.776 16 P CB 1.096 32.822 31.700 0.043 0.000 0.876 17 E N 0.569 120.816 120.200 0.079 0.000 2.216 17 E HA 0.223 4.573 4.350 -0.000 0.000 0.260 17 E C -0.652 176.032 176.600 0.140 0.000 0.880 17 E CA -0.606 55.859 56.400 0.108 0.000 0.765 17 E CB 1.788 31.544 29.700 0.093 0.000 1.174 17 E HN 0.456 nan 8.360 nan 0.000 0.417 18 E N 2.879 123.201 120.200 0.203 0.000 2.259 18 E HA 0.065 4.415 4.350 -0.000 0.000 0.281 18 E C 0.131 176.939 176.600 0.347 0.000 1.027 18 E CA 0.060 56.605 56.400 0.242 0.000 0.838 18 E CB 0.802 30.643 29.700 0.236 0.000 1.066 18 E HN 0.501 nan 8.360 nan 0.000 0.401 19 E N 2.815 123.188 120.200 0.288 0.000 2.276 19 E HA 0.049 4.399 4.350 -0.000 0.000 0.193 19 E C -0.193 176.663 176.600 0.427 0.000 0.983 19 E CA 0.429 57.016 56.400 0.312 0.000 0.861 19 E CB 0.503 30.330 29.700 0.211 0.000 0.817 19 E HN 0.229 nan 8.360 nan 0.000 0.485 20 K N 1.035 121.664 120.400 0.382 0.000 2.375 20 K HA 0.305 4.625 4.320 -0.000 0.000 0.249 20 K C -0.746 175.975 176.600 0.202 0.000 0.942 20 K CA -1.086 55.409 56.287 0.348 0.000 0.806 20 K CB 2.176 34.808 32.500 0.219 0.000 1.227 20 K HN -0.059 nan 8.250 nan 0.000 0.430 21 L N 5.071 126.445 121.223 0.252 0.000 2.410 21 L HA 0.219 4.559 4.340 -0.000 0.000 0.273 21 L C -2.060 174.785 176.870 -0.042 0.000 1.144 21 L CA -0.807 54.014 54.840 -0.032 0.000 0.863 21 L CB 0.180 42.375 42.059 0.227 0.000 1.140 21 L HN 0.401 nan 8.230 nan 0.000 0.463 22 P HA 0.128 nan 4.420 nan 0.000 0.272 22 P C -0.682 176.514 177.300 -0.174 0.000 1.230 22 P CA -0.183 62.828 63.100 -0.148 0.000 0.788 22 P CB 0.627 32.215 31.700 -0.187 0.000 0.949 23 I N 2.393 122.811 120.570 -0.252 0.000 2.329 23 I HA 0.198 4.368 4.170 -0.000 0.000 0.295 23 I C 0.850 176.853 176.117 -0.190 0.000 1.109 23 I CA 0.325 61.410 61.300 -0.358 0.000 1.297 23 I CB -0.622 37.112 38.000 -0.444 0.000 1.433 23 I HN 0.277 nan 8.210 nan 0.000 0.509 24 N N 8.414 127.031 118.700 -0.138 0.000 2.260 24 N HA 0.385 5.125 4.740 -0.000 0.000 0.293 24 N C -2.218 173.255 175.510 -0.061 0.000 1.058 24 N CA -1.870 51.125 53.050 -0.091 0.000 0.824 24 N CB 3.032 41.467 38.487 -0.088 0.000 1.551 24 N HN 0.026 nan 8.380 nan 0.000 0.475 25 P HA -0.058 nan 4.420 nan 0.000 0.218 25 P C 1.426 178.717 177.300 -0.015 0.000 1.149 25 P CA 0.992 64.072 63.100 -0.034 0.000 0.817 25 P CB 0.547 32.226 31.700 -0.035 0.000 0.785 26 L N -0.195 121.023 121.223 -0.008 0.000 2.156 26 L HA -0.059 4.281 4.340 -0.000 0.000 0.208 26 L C 2.609 179.530 176.870 0.085 0.000 1.095 26 L CA 1.823 56.677 54.840 0.023 0.000 0.770 26 L CB -1.050 41.011 42.059 0.003 0.000 0.914 26 L HN 0.121 nan 8.230 nan 0.000 0.439 27 S N -1.444 114.283 115.700 0.045 0.000 2.456 27 S HA -0.103 4.367 4.470 -0.000 0.000 0.224 27 S C 1.748 176.362 174.600 0.024 0.000 1.035 27 S CA 0.328 58.557 58.200 0.049 0.000 0.940 27 S CB -0.457 62.762 63.200 0.032 0.000 0.799 27 S HN 0.390 nan 8.310 nan 0.000 0.508 28 N N 2.330 121.034 118.700 0.007 0.000 2.223 28 N HA -0.153 4.587 4.740 -0.000 0.000 0.185 28 N C 1.795 177.295 175.510 -0.016 0.000 1.016 28 N CA 1.738 54.786 53.050 -0.002 0.000 0.863 28 N CB -0.269 38.206 38.487 -0.019 0.000 0.983 28 N HN 0.656 nan 8.380 nan 0.000 0.429 29 S N 0.229 115.925 115.700 -0.007 0.000 2.442 29 S HA -0.118 4.352 4.470 -0.000 0.000 0.236 29 S C 1.922 176.523 174.600 0.001 0.000 1.007 29 S CA 0.496 58.679 58.200 -0.028 0.000 0.965 29 S CB -0.195 63.001 63.200 -0.006 0.000 0.773 29 S HN 0.300 nan 8.310 nan 0.000 0.504 30 L N 1.002 122.249 121.223 0.040 0.000 2.145 30 L HA 0.499 4.839 4.340 -0.000 0.000 0.201 30 L C 0.419 177.341 176.870 0.087 0.000 1.075 30 L CA 1.076 55.971 54.840 0.092 0.000 0.773 30 L CB -0.229 41.663 42.059 -0.279 0.000 0.936 30 L HN 0.613 nan 8.230 nan 0.000 0.451 31 M N -2.795 116.810 119.600 0.008 0.000 2.365 31 M HA 0.408 4.888 4.480 -0.000 0.000 0.287 31 M C -0.066 176.208 176.300 -0.044 0.000 1.154 31 M CA -0.491 54.790 55.300 -0.032 0.000 0.941 31 M CB 1.882 34.480 32.600 -0.003 0.000 1.704 31 M HN -0.260 nan 8.290 nan 0.000 0.479 32 R N 0.701 121.094 120.500 -0.179 0.000 2.210 32 R HA 0.228 4.567 4.340 -0.000 0.000 0.203 32 R C -0.366 176.009 176.300 0.124 0.000 1.010 32 R CA 0.658 56.703 56.100 -0.093 0.000 1.008 32 R CB 0.286 30.442 30.300 -0.240 0.000 0.923 32 R HN 0.562 nan 8.270 nan 0.000 0.469 33 F N 2.733 122.738 119.950 0.092 0.000 2.606 33 F HA 0.095 4.622 4.527 0.000 0.000 0.347 33 F C 1.655 177.457 175.800 0.004 0.000 1.207 33 F CA -1.062 56.949 58.000 0.019 0.000 1.306 33 F CB -0.630 38.373 39.000 0.005 0.000 1.657 33 F HN 0.115 nan 8.300 nan 0.000 0.606 34 H N -0.650 118.556 119.070 0.226 0.000 2.422 34 H HA -0.127 4.429 4.556 -0.000 0.000 0.298 34 H C 0.890 176.323 175.328 0.176 0.000 1.098 34 H CA 1.412 57.561 56.048 0.168 0.000 1.315 34 H CB -0.135 29.694 29.762 0.111 0.000 1.382 34 H HN 0.259 nan 8.280 nan 0.000 0.523 35 N N 1.370 119.850 118.700 -0.368 0.000 2.520 35 N HA -0.067 4.673 4.740 -0.000 0.000 0.185 35 N C 1.368 176.896 175.510 0.029 0.000 1.068 35 N CA 0.545 53.514 53.050 -0.136 0.000 0.911 35 N CB -0.037 38.317 38.487 -0.221 0.000 0.961 35 N HN 0.562 nan 8.380 nan 0.000 0.446 36 K N 0.236 120.687 120.400 0.085 0.000 2.418 36 K HA 0.112 4.432 4.320 -0.000 0.000 0.195 36 K C 0.119 176.868 176.600 0.248 0.000 1.035 36 K CA 0.205 56.580 56.287 0.146 0.000 1.003 36 K CB 0.719 33.310 32.500 0.151 0.000 0.793 36 K HN -0.065 nan 8.250 nan 0.000 0.494 37 V N 2.468 122.543 119.914 0.269 0.000 2.427 37 V HA 0.228 4.348 4.120 -0.000 0.000 0.286 37 V C -0.662 175.672 176.094 0.399 0.000 1.034 37 V CA -0.838 61.641 62.300 0.298 0.000 0.893 37 V CB 0.431 32.440 31.823 0.309 0.000 0.982 37 V HN 0.177 nan 8.190 nan 0.000 0.452 38 Y N 2.007 122.426 120.300 0.198 0.000 2.581 38 Y HA 0.802 5.352 4.550 0.000 0.000 0.345 38 Y C -0.382 175.530 175.900 0.021 0.000 1.036 38 Y CA -1.267 56.941 58.100 0.181 0.000 1.042 38 Y CB 1.818 40.364 38.460 0.144 0.000 1.289 38 Y HN 0.421 nan 8.280 nan 0.000 0.471 39 S N 1.538 117.241 115.700 0.006 0.000 2.475 39 S HA 0.530 4.999 4.470 -0.000 0.000 0.298 39 S C -0.328 174.355 174.600 0.137 0.000 1.119 39 S CA -0.297 57.782 58.200 -0.201 0.000 1.085 39 S CB 0.391 63.364 63.200 -0.378 0.000 1.028 39 S HN 1.035 nan 8.310 nan 0.000 0.489 40 T N 1.951 116.583 114.554 0.131 0.000 2.900 40 T HA 0.535 4.884 4.350 -0.000 0.000 0.307 40 T C 0.358 175.131 174.700 0.122 0.000 1.065 40 T CA -0.223 62.005 62.100 0.213 0.000 1.105 40 T CB 0.736 69.744 68.868 0.233 0.000 0.979 40 T HN 0.826 nan 8.240 nan 0.000 0.544 41 T N -2.446 112.176 114.554 0.114 0.000 2.787 41 T HA 0.466 4.816 4.350 -0.000 0.000 0.297 41 T C 1.270 176.007 174.700 0.061 0.000 1.221 41 T CA -0.258 61.892 62.100 0.084 0.000 1.006 41 T CB 1.135 70.056 68.868 0.089 0.000 1.328 41 T HN 0.782 nan 8.240 nan 0.000 0.509 42 S N 0.193 115.922 115.700 0.048 0.000 2.465 42 S HA -0.145 4.325 4.470 -0.000 0.000 0.241 42 S C 1.787 176.395 174.600 0.014 0.000 1.000 42 S CA 0.677 58.895 58.200 0.029 0.000 0.964 42 S CB -0.719 62.497 63.200 0.027 0.000 0.763 42 S HN 0.740 nan 8.310 nan 0.000 0.512 43 R N 1.608 122.122 120.500 0.023 0.000 2.159 43 R HA -0.052 4.288 4.340 -0.000 0.000 0.237 43 R C 2.199 178.496 176.300 -0.005 0.000 1.131 43 R CA 1.544 57.650 56.100 0.010 0.000 0.982 43 R CB -0.445 29.868 30.300 0.021 0.000 0.868 43 R HN 0.729 nan 8.270 nan 0.000 0.453 44 S N -1.007 114.695 115.700 0.002 0.000 2.557 44 S HA 0.272 4.742 4.470 -0.000 0.000 0.223 44 S C 1.664 176.246 174.600 -0.031 0.000 0.969 44 S CA 0.082 58.274 58.200 -0.013 0.000 0.927 44 S CB 0.979 64.182 63.200 0.005 0.000 0.806 44 S HN 0.271 nan 8.310 nan 0.000 0.489 45 A N 2.278 125.075 122.820 -0.039 0.000 1.933 45 A HA 0.002 4.322 4.320 -0.000 0.000 0.218 45 A C 2.324 179.824 177.584 -0.141 0.000 1.175 45 A CA 1.779 53.775 52.037 -0.068 0.000 0.628 45 A CB -1.102 17.862 19.000 -0.060 0.000 0.814 45 A HN 0.569 nan 8.150 nan 0.000 0.444 46 S N -0.014 115.594 115.700 -0.153 0.000 2.402 46 S HA -0.059 4.411 4.470 -0.000 0.000 0.229 46 S C 1.739 176.235 174.600 -0.173 0.000 1.021 46 S CA 1.225 59.293 58.200 -0.219 0.000 0.974 46 S CB -0.409 62.678 63.200 -0.188 0.000 0.800 46 S HN 0.529 nan 8.310 nan 0.000 0.484 47 L N 0.826 121.986 121.223 -0.104 0.000 2.046 47 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 47 L C 2.738 179.576 176.870 -0.053 0.000 1.077 47 L CA 1.194 55.993 54.840 -0.069 0.000 0.747 47 L CB -0.371 41.659 42.059 -0.047 0.000 0.896 47 L HN 0.203 nan 8.230 nan 0.000 0.432 48 R N 0.729 121.197 120.500 -0.053 0.000 2.075 48 R HA -0.088 4.252 4.340 -0.000 0.000 0.232 48 R C 2.228 178.509 176.300 -0.033 0.000 1.126 48 R CA 1.604 57.693 56.100 -0.018 0.000 0.963 48 R CB -0.683 29.614 30.300 -0.004 0.000 0.858 48 R HN 0.282 nan 8.270 nan 0.000 0.435 49 A N 0.894 123.621 122.820 -0.155 0.000 1.940 49 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 49 A C 2.128 179.662 177.584 -0.083 0.000 1.176 49 A CA 1.950 53.832 52.037 -0.258 0.000 0.631 49 A CB -0.621 17.870 19.000 -0.848 0.000 0.814 49 A HN 0.460 nan 8.150 nan 0.000 0.446 50 K N -0.182 120.167 120.400 -0.086 0.000 2.009 50 K HA -0.204 4.116 4.320 -0.000 0.000 0.210 50 K C 2.193 178.873 176.600 0.133 0.000 1.049 50 K CA 1.937 58.238 56.287 0.023 0.000 0.929 50 K CB -0.233 32.263 32.500 -0.007 0.000 0.714 50 K HN 0.403 nan 8.250 nan 0.000 0.440 51 K N 0.460 120.929 120.400 0.115 0.000 2.103 51 K HA -0.109 4.211 4.320 -0.000 0.000 0.207 51 K C 1.758 178.560 176.600 0.337 0.000 1.048 51 K CA 1.606 57.995 56.287 0.170 0.000 0.930 51 K CB 0.049 32.615 32.500 0.109 0.000 0.716 51 K HN 0.281 nan 8.250 nan 0.000 0.444 52 V N -1.717 118.394 119.914 0.328 0.000 3.623 52 V HA 0.099 4.219 4.120 -0.000 0.000 0.271 52 V C 0.257 176.566 176.094 0.359 0.000 1.248 52 V CA 0.184 62.738 62.300 0.423 0.000 1.156 52 V CB 0.248 32.271 31.823 0.333 0.000 0.870 52 V HN -0.022 nan 8.190 nan 0.000 0.453 53 T N 4.160 118.961 114.554 0.411 0.000 2.756 53 T HA 0.747 5.097 4.350 -0.000 0.000 0.290 53 T C -0.812 174.083 174.700 0.325 0.000 0.985 53 T CA -0.039 62.260 62.100 0.332 0.000 0.955 53 T CB 0.548 69.722 68.868 0.510 0.000 0.930 53 T HN 0.645 nan 8.240 nan 0.000 0.451 54 F N -0.017 120.031 119.950 0.164 0.000 2.799 54 F HA 0.579 5.106 4.527 -0.000 0.000 0.316 54 F C -1.303 174.532 175.800 0.057 0.000 1.155 54 F CA -1.606 56.453 58.000 0.098 0.000 0.916 54 F CB 0.637 39.686 39.000 0.081 0.000 1.294 54 F HN 0.270 nan 8.300 nan 0.000 0.447 55 D N 0.953 121.507 120.400 0.256 0.000 2.304 55 D HA 0.489 5.129 4.640 -0.000 0.000 0.250 55 D C -0.817 175.600 176.300 0.195 0.000 1.107 55 D CA -0.004 54.076 54.000 0.133 0.000 0.885 55 D CB 0.942 41.801 40.800 0.100 0.000 1.192 55 D HN 0.589 nan 8.370 nan 0.000 0.436 56 R N 1.777 122.332 120.500 0.091 0.000 2.393 56 R HA 0.619 4.959 4.340 -0.000 0.000 0.310 56 R C -0.993 175.337 176.300 0.050 0.000 0.968 56 R CA -0.798 55.363 56.100 0.102 0.000 0.867 56 R CB 1.869 32.192 30.300 0.039 0.000 1.124 56 R HN 0.172 nan 8.270 nan 0.000 0.450 57 V N 2.808 122.751 119.914 0.049 0.000 2.444 57 V HA 0.441 4.561 4.120 -0.000 0.000 0.294 57 V C -0.539 175.561 176.094 0.011 0.000 1.022 57 V CA -0.809 61.503 62.300 0.020 0.000 0.850 57 V CB 1.500 33.334 31.823 0.017 0.000 0.992 57 V HN 0.661 nan 8.190 nan 0.000 0.426 58 Q N 3.432 123.228 119.800 -0.006 0.000 2.353 58 Q HA 0.766 5.106 4.340 -0.000 0.000 0.268 58 Q C -2.008 173.978 176.000 -0.023 0.000 1.045 58 Q CA -0.540 55.256 55.803 -0.013 0.000 0.811 58 Q CB 2.496 31.213 28.738 -0.036 0.000 1.305 58 Q HN 0.583 nan 8.270 nan 0.000 0.447 59 V N 5.575 125.485 119.914 -0.007 0.000 2.409 59 V HA 0.386 4.506 4.120 -0.000 0.000 0.290 59 V C -0.279 175.838 176.094 0.039 0.000 1.017 59 V CA -0.615 61.682 62.300 -0.006 0.000 0.841 59 V CB 1.349 33.167 31.823 -0.007 0.000 1.003 59 V HN 0.785 nan 8.190 nan 0.000 0.426 60 L N 4.472 125.678 121.223 -0.028 0.000 2.416 60 L HA 0.770 5.110 4.340 -0.000 0.000 0.262 60 L C -0.166 176.741 176.870 0.061 0.000 1.093 60 L CA -0.395 54.413 54.840 -0.054 0.000 0.801 60 L CB 1.613 43.477 42.059 -0.326 0.000 1.191 60 L HN 0.821 nan 8.230 nan 0.000 0.459 61 D N -0.435 120.051 120.400 0.144 0.000 2.752 61 D HA 0.378 5.018 4.640 -0.000 0.000 0.313 61 D C 0.222 176.573 176.300 0.086 0.000 1.225 61 D CA -0.283 53.783 54.000 0.111 0.000 0.976 61 D CB 1.093 41.969 40.800 0.126 0.000 1.443 61 D HN 0.393 nan 8.370 nan 0.000 0.515 62 A N -0.803 121.991 122.820 -0.042 0.000 1.972 62 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 62 A C 1.691 179.238 177.584 -0.061 0.000 1.169 62 A CA 1.309 53.293 52.037 -0.087 0.000 0.635 62 A CB -1.092 17.799 19.000 -0.181 0.000 0.810 62 A HN 0.624 nan 8.150 nan 0.000 0.446 63 H N -2.412 116.724 119.070 0.110 0.000 2.357 63 H HA -0.143 4.412 4.556 -0.000 0.000 0.301 63 H C 1.989 177.344 175.328 0.045 0.000 1.082 63 H CA 1.818 57.920 56.048 0.090 0.000 1.342 63 H CB -0.689 29.155 29.762 0.137 0.000 1.389 63 H HN 0.725 nan 8.280 nan 0.000 0.511 64 Y N 2.392 122.710 120.300 0.030 0.000 2.145 64 Y HA -0.205 4.345 4.550 -0.000 0.000 0.286 64 Y C 1.892 177.727 175.900 -0.108 0.000 1.145 64 Y CA 1.593 59.572 58.100 -0.201 0.000 1.148 64 Y CB -0.106 38.092 38.460 -0.437 0.000 0.981 64 Y HN 0.014 nan 8.280 nan 0.000 0.507 65 D N -0.359 120.106 120.400 0.108 0.000 2.123 65 D HA -0.200 4.440 4.640 -0.000 0.000 0.196 65 D C 2.455 178.724 176.300 -0.051 0.000 0.992 65 D CA 1.934 55.959 54.000 0.043 0.000 0.833 65 D CB -0.582 40.256 40.800 0.064 0.000 0.954 65 D HN 0.528 nan 8.370 nan 0.000 0.455 66 S N -0.010 115.671 115.700 -0.032 0.000 2.383 66 S HA -0.087 4.383 4.470 -0.000 0.000 0.227 66 S C 2.275 176.835 174.600 -0.066 0.000 1.026 66 S CA 0.701 58.883 58.200 -0.029 0.000 0.981 66 S CB -0.645 62.559 63.200 0.007 0.000 0.818 66 S HN 0.094 nan 8.310 nan 0.000 0.472 67 V N 2.029 121.869 119.914 -0.123 0.000 2.261 67 V HA -0.110 4.010 4.120 -0.000 0.000 0.246 67 V C 2.492 178.479 176.094 -0.179 0.000 1.047 67 V CA 1.729 63.934 62.300 -0.159 0.000 1.015 67 V CB -0.953 30.723 31.823 -0.245 0.000 0.642 67 V HN 0.440 nan 8.190 nan 0.000 0.446 68 L N 0.136 121.171 121.223 -0.314 0.000 2.013 68 L HA -0.264 4.076 4.340 -0.000 0.000 0.212 68 L C 2.524 179.324 176.870 -0.116 0.000 1.073 68 L CA 2.417 57.100 54.840 -0.261 0.000 0.753 68 L CB -0.907 40.949 42.059 -0.339 0.000 0.890 68 L HN 0.442 nan 8.230 nan 0.000 0.432 69 Q N -1.065 118.684 119.800 -0.084 0.000 2.096 69 Q HA -0.248 4.091 4.340 -0.000 0.000 0.204 69 Q C 1.789 177.774 176.000 -0.025 0.000 0.982 69 Q CA 2.068 57.847 55.803 -0.040 0.000 0.850 69 Q CB -0.078 28.645 28.738 -0.025 0.000 0.901 69 Q HN 0.560 nan 8.270 nan 0.000 0.422 70 D N -0.383 120.004 120.400 -0.022 0.000 2.123 70 D HA -0.144 4.496 4.640 -0.000 0.000 0.196 70 D C 1.935 178.241 176.300 0.010 0.000 0.992 70 D CA 1.106 55.107 54.000 0.002 0.000 0.833 70 D CB -0.188 40.622 40.800 0.017 0.000 0.954 70 D HN 0.127 nan 8.370 nan 0.000 0.455 71 V N 0.843 120.760 119.914 0.005 0.000 2.295 71 V HA -0.235 3.885 4.120 -0.000 0.000 0.246 71 V C 2.294 178.383 176.094 -0.008 0.000 1.049 71 V CA 1.612 63.918 62.300 0.011 0.000 1.024 71 V CB -0.277 31.554 31.823 0.014 0.000 0.648 71 V HN 0.191 nan 8.190 nan 0.000 0.447 72 K N -0.586 119.803 120.400 -0.017 0.000 2.097 72 K HA -0.115 4.204 4.320 -0.000 0.000 0.205 72 K C 2.416 179.013 176.600 -0.004 0.000 1.050 72 K CA 1.078 57.358 56.287 -0.013 0.000 0.938 72 K CB -0.202 32.288 32.500 -0.016 0.000 0.718 72 K HN 0.322 nan 8.250 nan 0.000 0.442 73 R N 0.387 120.885 120.500 -0.003 0.000 2.081 73 R HA -0.094 4.246 4.340 -0.000 0.000 0.235 73 R C 2.334 178.635 176.300 0.002 0.000 1.131 73 R CA 1.326 57.426 56.100 0.001 0.000 0.960 73 R CB -0.260 30.042 30.300 0.003 0.000 0.856 73 R HN 0.176 nan 8.270 nan 0.000 0.436 74 A N 0.832 123.653 122.820 0.001 0.000 1.933 74 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 74 A C 2.288 179.867 177.584 -0.008 0.000 1.175 74 A CA 1.630 53.664 52.037 -0.004 0.000 0.628 74 A CB -0.527 18.469 19.000 -0.007 0.000 0.814 74 A HN 0.421 nan 8.150 nan 0.000 0.444 75 A N -0.359 122.458 122.820 -0.006 0.000 2.019 75 A HA -0.044 4.276 4.320 -0.000 0.000 0.219 75 A C 2.314 179.903 177.584 0.009 0.000 1.164 75 A CA 1.816 53.854 52.037 0.001 0.000 0.644 75 A CB -0.812 18.194 19.000 0.011 0.000 0.805 75 A HN 0.456 nan 8.150 nan 0.000 0.449 76 S N 0.173 115.877 115.700 0.007 0.000 2.402 76 S HA -0.195 4.275 4.470 -0.000 0.000 0.233 76 S C 1.638 176.242 174.600 0.008 0.000 1.030 76 S CA 1.779 59.984 58.200 0.009 0.000 1.003 76 S CB -0.238 62.966 63.200 0.007 0.000 0.813 76 S HN 0.718 nan 8.310 nan 0.000 0.477 77 K N 0.792 121.194 120.400 0.003 0.000 2.459 77 K HA 0.138 4.458 4.320 -0.000 0.000 0.193 77 K C -0.078 176.522 176.600 0.001 0.000 1.030 77 K CA 0.156 56.444 56.287 0.002 0.000 1.026 77 K CB 0.147 32.647 32.500 -0.001 0.000 0.809 77 K HN 0.164 nan 8.250 nan 0.000 0.504 78 V N 2.042 121.957 119.914 0.002 0.000 2.509 78 V HA 0.105 4.225 4.120 -0.000 0.000 0.284 78 V C 0.177 176.276 176.094 0.008 0.000 1.047 78 V CA -0.627 61.673 62.300 -0.000 0.000 0.952 78 V CB 1.398 33.221 31.823 -0.001 0.000 0.988 78 V HN 0.210 nan 8.190 nan 0.000 0.469 79 S N 3.898 119.602 115.700 0.006 0.000 2.500 79 S HA 0.927 5.397 4.470 -0.000 0.000 0.301 79 S C -0.573 174.033 174.600 0.010 0.000 1.092 79 S CA -0.079 58.127 58.200 0.012 0.000 1.030 79 S CB 1.986 65.192 63.200 0.011 0.000 1.031 79 S HN 1.323 nan 8.310 nan 0.000 0.483 80 A N 2.705 125.536 122.820 0.018 0.000 2.532 80 A HA 0.974 5.294 4.320 -0.000 0.000 0.290 80 A C -0.461 177.139 177.584 0.027 0.000 1.143 80 A CA -1.248 50.800 52.037 0.018 0.000 0.728 80 A CB 1.498 20.507 19.000 0.015 0.000 1.317 80 A HN 1.194 nan 8.150 nan 0.000 0.414 81 R N -0.182 120.336 120.500 0.029 0.000 2.888 81 R HA 0.789 5.129 4.340 -0.000 0.000 0.264 81 R C -1.543 174.781 176.300 0.040 0.000 1.045 81 R CA -0.783 55.336 56.100 0.032 0.000 0.962 81 R CB 0.591 30.904 30.300 0.022 0.000 1.210 81 R HN 0.397 nan 8.270 nan 0.000 0.479 82 L N 1.596 122.839 121.223 0.033 0.000 2.395 82 L HA 0.310 4.650 4.340 -0.000 0.000 0.269 82 L C -0.059 176.788 176.870 -0.037 0.000 1.133 82 L CA -0.670 54.177 54.840 0.012 0.000 0.812 82 L CB 0.634 42.693 42.059 0.001 0.000 1.125 82 L HN 0.551 nan 8.230 nan 0.000 0.452 83 L N 1.257 122.436 121.223 -0.074 0.000 2.418 83 L HA 0.341 4.680 4.340 -0.000 0.000 0.265 83 L C 0.920 177.680 176.870 -0.184 0.000 1.143 83 L CA -0.011 54.764 54.840 -0.108 0.000 0.809 83 L CB 0.944 42.928 42.059 -0.125 0.000 1.124 83 L HN 0.835 nan 8.230 nan 0.000 0.456 84 T N -0.887 113.571 114.554 -0.159 0.000 2.813 84 T HA 0.232 4.582 4.350 -0.000 0.000 0.297 84 T C 1.466 176.035 174.700 -0.219 0.000 1.036 84 T CA -0.674 61.313 62.100 -0.189 0.000 1.044 84 T CB 0.540 69.326 68.868 -0.135 0.000 0.993 84 T HN 0.265 nan 8.240 nan 0.000 0.535 85 V N 2.006 121.777 119.914 -0.238 0.000 2.332 85 V HA -0.185 3.935 4.120 -0.000 0.000 0.248 85 V C 2.700 178.697 176.094 -0.161 0.000 1.055 85 V CA 2.282 64.453 62.300 -0.215 0.000 1.038 85 V CB -1.220 30.483 31.823 -0.200 0.000 0.651 85 V HN 0.917 nan 8.190 nan 0.000 0.450 86 E N 0.230 120.348 120.200 -0.137 0.000 2.118 86 E HA -0.227 4.123 4.350 -0.000 0.000 0.195 86 E C 2.158 178.690 176.600 -0.115 0.000 0.992 86 E CA 1.502 57.835 56.400 -0.111 0.000 0.804 86 E CB -0.283 29.363 29.700 -0.090 0.000 0.741 86 E HN 0.684 nan 8.360 nan 0.000 0.458 87 E N 0.249 120.372 120.200 -0.128 0.000 2.106 87 E HA -0.114 4.236 4.350 -0.000 0.000 0.192 87 E C 2.058 178.545 176.600 -0.189 0.000 0.984 87 E CA 0.900 57.216 56.400 -0.140 0.000 0.806 87 E CB -0.115 29.504 29.700 -0.135 0.000 0.750 87 E HN 0.305 nan 8.360 nan 0.000 0.458 88 A N 0.506 123.207 122.820 -0.197 0.000 1.968 88 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 88 A C 2.341 179.823 177.584 -0.170 0.000 1.169 88 A CA 0.795 52.702 52.037 -0.217 0.000 0.638 88 A CB -0.626 18.253 19.000 -0.202 0.000 0.812 88 A HN 0.335 nan 8.150 nan 0.000 0.446 89 C N -0.909 118.310 119.300 -0.136 0.000 2.425 89 C HA 0.057 4.517 4.460 -0.000 0.000 0.277 89 C C 3.236 178.165 174.990 -0.102 0.000 1.280 89 C CA 0.798 59.753 59.018 -0.105 0.000 1.744 89 C CB -1.240 26.443 27.740 -0.095 0.000 1.989 89 C HN 0.697 nan 8.230 nan 0.000 0.491 90 A N -0.001 122.757 122.820 -0.104 0.000 2.015 90 A HA 0.005 4.325 4.320 -0.000 0.000 0.219 90 A C 1.944 179.488 177.584 -0.067 0.000 1.163 90 A CA 1.102 53.097 52.037 -0.070 0.000 0.646 90 A CB -0.486 18.479 19.000 -0.058 0.000 0.806 90 A HN 0.646 nan 8.150 nan 0.000 0.448 91 L N -0.008 121.122 121.223 -0.155 0.000 2.552 91 L HA -0.001 4.339 4.340 -0.000 0.000 0.227 91 L C 0.322 177.100 176.870 -0.154 0.000 1.146 91 L CA 0.117 54.824 54.840 -0.220 0.000 0.858 91 L CB -0.379 41.455 42.059 -0.375 0.000 0.969 91 L HN 0.127 nan 8.230 nan 0.000 0.451 92 T N 2.001 116.482 114.554 -0.122 0.000 2.779 92 T HA 0.185 4.534 4.350 -0.000 0.000 0.296 92 T C -2.274 172.309 174.700 -0.193 0.000 0.938 92 T CA -1.057 60.969 62.100 -0.122 0.000 1.119 92 T CB 0.830 69.640 68.868 -0.097 0.000 0.891 92 T HN -0.112 nan 8.240 nan 0.000 0.526 93 P HA 0.123 nan 4.420 nan 0.000 0.268 93 P C -1.811 175.233 177.300 -0.427 0.000 1.204 93 P CA -1.404 61.481 63.100 -0.359 0.000 0.768 93 P CB 0.178 31.759 31.700 -0.199 0.000 0.842 94 P HA -0.166 nan 4.420 nan 0.000 0.221 94 P C 0.545 177.454 177.300 -0.652 0.000 1.145 94 P CA 1.781 64.487 63.100 -0.657 0.000 0.795 94 P CB -0.116 31.093 31.700 -0.818 0.000 0.775 95 H N -2.048 116.914 119.070 -0.181 0.000 2.486 95 H HA 0.274 4.830 4.556 -0.000 0.000 0.284 95 H C 0.376 175.639 175.328 -0.109 0.000 1.103 95 H CA -0.380 55.597 56.048 -0.118 0.000 1.089 95 H CB 0.054 29.759 29.762 -0.095 0.000 1.603 95 H HN 0.040 nan 8.280 nan 0.000 0.557 96 S N 1.117 116.780 115.700 -0.061 0.000 2.572 96 S HA 0.337 4.807 4.470 -0.000 0.000 0.279 96 S C 0.675 175.242 174.600 -0.055 0.000 1.341 96 S CA -0.535 57.621 58.200 -0.073 0.000 1.043 96 S CB 0.362 63.512 63.200 -0.084 0.000 0.887 96 S HN 0.524 nan 8.310 nan 0.000 0.516 97 A N 5.051 127.820 122.820 -0.085 0.000 2.573 97 A HA 0.156 4.476 4.320 -0.000 0.000 0.250 97 A C 0.671 178.235 177.584 -0.032 0.000 1.049 97 A CA 0.072 52.078 52.037 -0.052 0.000 0.767 97 A CB -0.357 18.606 19.000 -0.061 0.000 0.965 97 A HN 0.871 nan 8.150 nan 0.000 0.514 98 K N 2.449 122.820 120.400 -0.047 0.000 2.397 98 K HA 0.217 4.537 4.320 -0.000 0.000 0.265 98 K C 0.348 176.840 176.600 -0.179 0.000 0.982 98 K CA 0.301 56.520 56.287 -0.114 0.000 0.931 98 K CB 0.318 32.753 32.500 -0.109 0.000 0.943 98 K HN 0.469 nan 8.250 nan 0.000 0.501 99 S N -0.158 115.303 115.700 -0.398 0.000 2.601 99 S HA 0.081 4.550 4.470 -0.000 0.000 0.271 99 S C 1.048 175.380 174.600 -0.447 0.000 1.305 99 S CA -0.760 57.143 58.200 -0.496 0.000 1.022 99 S CB 0.835 63.354 63.200 -1.134 0.000 0.940 99 S HN 0.801 nan 8.310 nan 0.000 0.525 100 R N 1.785 122.015 120.500 -0.450 0.000 2.299 100 R HA 0.050 4.390 4.340 -0.000 0.000 0.197 100 R C -0.163 175.722 176.300 -0.691 0.000 0.971 100 R CA 0.923 56.695 56.100 -0.548 0.000 1.030 100 R CB -0.362 29.598 30.300 -0.567 0.000 0.932 100 R HN 0.683 nan 8.270 nan 0.000 0.477 101 Y N 0.932 121.041 120.300 -0.318 0.000 2.718 101 Y HA 0.367 4.917 4.550 -0.000 0.000 0.322 101 Y C 1.116 176.940 175.900 -0.128 0.000 1.122 101 Y CA -0.056 57.910 58.100 -0.224 0.000 1.348 101 Y CB 0.635 38.870 38.460 -0.374 0.000 1.174 101 Y HN 0.378 nan 8.280 nan 0.000 0.523 102 G N 0.338 109.068 108.800 -0.118 0.000 2.132 102 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.228 102 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.228 102 G C -0.278 174.689 174.900 0.111 0.000 1.000 102 G CA 0.191 45.296 45.100 0.007 0.000 0.693 102 G HN 0.465 nan 8.290 nan 0.000 0.515 103 F N -2.390 117.540 119.950 -0.034 0.000 2.686 103 F HA 0.843 5.370 4.527 -0.000 0.000 0.311 103 F C 0.345 176.132 175.800 -0.022 0.000 1.128 103 F CA -0.784 57.202 58.000 -0.023 0.000 0.946 103 F CB 0.655 39.644 39.000 -0.018 0.000 1.336 103 F HN 0.501 nan 8.300 nan 0.000 0.457 104 G N -0.163 108.712 108.800 0.125 0.000 3.262 104 G HA2 0.566 4.526 3.960 -0.000 0.000 0.229 104 G HA3 0.566 4.526 3.960 -0.000 0.000 0.229 104 G C 0.199 175.175 174.900 0.125 0.000 1.280 104 G CA -0.538 44.579 45.100 0.029 0.000 0.951 104 G HN 1.117 nan 8.290 nan 0.000 0.589 105 A N -0.520 122.318 122.820 0.029 0.000 1.930 105 A HA 0.027 4.347 4.320 -0.000 0.000 0.217 105 A C 2.118 179.682 177.584 -0.035 0.000 1.175 105 A CA 2.187 54.218 52.037 -0.009 0.000 0.627 105 A CB -0.493 18.456 19.000 -0.086 0.000 0.815 105 A HN 0.562 nan 8.150 nan 0.000 0.443 106 K N -0.316 120.062 120.400 -0.036 0.000 2.063 106 K HA -0.234 4.086 4.320 -0.000 0.000 0.208 106 K C 1.806 178.397 176.600 -0.014 0.000 1.048 106 K CA 1.910 58.170 56.287 -0.046 0.000 0.928 106 K CB -0.119 32.364 32.500 -0.028 0.000 0.713 106 K HN 0.443 nan 8.250 nan 0.000 0.442 107 E N 0.029 120.253 120.200 0.039 0.000 2.106 107 E HA -0.114 4.236 4.350 -0.000 0.000 0.192 107 E C 1.888 178.482 176.600 -0.011 0.000 0.984 107 E CA 0.887 57.307 56.400 0.033 0.000 0.806 107 E CB -0.004 29.758 29.700 0.104 0.000 0.750 107 E HN 0.059 nan 8.360 nan 0.000 0.458 108 V N 0.914 120.848 119.914 0.033 0.000 2.261 108 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 108 V C 2.129 178.192 176.094 -0.052 0.000 1.047 108 V CA 1.987 64.280 62.300 -0.012 0.000 1.015 108 V CB -0.397 31.458 31.823 0.053 0.000 0.642 108 V HN 0.208 nan 8.190 nan 0.000 0.446 109 R N 0.820 121.286 120.500 -0.058 0.000 2.127 109 R HA -0.124 4.215 4.340 -0.000 0.000 0.238 109 R C 2.279 178.539 176.300 -0.065 0.000 1.134 109 R CA 1.687 57.740 56.100 -0.078 0.000 0.975 109 R CB -0.452 29.779 30.300 -0.114 0.000 0.865 109 R HN 0.681 nan 8.270 nan 0.000 0.447 110 S N 0.252 115.919 115.700 -0.056 0.000 2.575 110 S HA 0.122 4.592 4.470 -0.000 0.000 0.215 110 S C 0.814 175.381 174.600 -0.054 0.000 0.966 110 S CA -0.252 57.919 58.200 -0.048 0.000 0.911 110 S CB -0.098 63.080 63.200 -0.038 0.000 0.780 110 S HN 0.336 nan 8.310 nan 0.000 0.514 111 L N 1.737 122.919 121.223 -0.068 0.000 3.608 111 L HA -0.166 4.174 4.340 -0.000 0.000 0.422 111 L C 0.503 177.322 176.870 -0.084 0.000 1.260 111 L CA 0.211 55.003 54.840 -0.081 0.000 0.889 111 L CB -3.025 38.990 42.059 -0.073 0.000 1.821 111 L HN 0.631 nan 8.230 nan 0.000 0.884 112 S N -0.623 115.023 115.700 -0.089 0.000 2.560 112 S HA 0.250 4.720 4.470 -0.000 0.000 0.284 112 S C 1.516 176.048 174.600 -0.114 0.000 1.327 112 S CA -0.494 57.655 58.200 -0.085 0.000 1.055 112 S CB 1.425 64.582 63.200 -0.073 0.000 0.868 112 S HN 0.342 nan 8.310 nan 0.000 0.506 113 R N 1.769 122.219 120.500 -0.084 0.000 2.120 113 R HA -0.057 4.283 4.340 -0.000 0.000 0.234 113 R C 2.431 178.669 176.300 -0.103 0.000 1.123 113 R CA 1.471 57.522 56.100 -0.082 0.000 0.975 113 R CB -0.764 29.505 30.300 -0.052 0.000 0.866 113 R HN 0.861 nan 8.270 nan 0.000 0.446 114 R N 0.542 120.977 120.500 -0.107 0.000 2.070 114 R HA -0.094 4.246 4.340 -0.000 0.000 0.233 114 R C 2.123 178.241 176.300 -0.304 0.000 1.137 114 R CA 1.641 57.671 56.100 -0.117 0.000 0.945 114 R CB -0.227 30.042 30.300 -0.051 0.000 0.845 114 R HN 0.170 nan 8.270 nan 0.000 0.430 115 A N 0.238 122.734 122.820 -0.540 0.000 1.877 115 A HA -0.102 4.217 4.320 -0.000 0.000 0.216 115 A C 2.299 179.585 177.584 -0.497 0.000 1.186 115 A CA 1.618 53.012 52.037 -1.072 0.000 0.620 115 A CB -0.656 17.858 19.000 -0.810 0.000 0.822 115 A HN 0.245 nan 8.150 nan 0.000 0.443 116 V N 1.018 120.763 119.914 -0.281 0.000 2.295 116 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 116 V C 2.297 178.315 176.094 -0.127 0.000 1.049 116 V CA 2.189 64.386 62.300 -0.172 0.000 1.024 116 V CB -0.939 30.804 31.823 -0.133 0.000 0.648 116 V HN 0.558 nan 8.190 nan 0.000 0.447 117 N N -0.829 117.806 118.700 -0.109 0.000 2.166 117 N HA -0.173 4.567 4.740 -0.000 0.000 0.186 117 N C 1.834 177.315 175.510 -0.048 0.000 1.019 117 N CA 1.360 54.370 53.050 -0.065 0.000 0.856 117 N CB -0.573 37.889 38.487 -0.042 0.000 0.993 117 N HN 0.624 nan 8.380 nan 0.000 0.426 118 H N 1.058 120.050 119.070 -0.129 0.000 2.290 118 H HA -0.010 4.546 4.556 -0.000 0.000 0.298 118 H C 2.045 177.351 175.328 -0.036 0.000 1.087 118 H CA 1.327 57.332 56.048 -0.072 0.000 1.291 118 H CB -0.095 29.663 29.762 -0.008 0.000 1.369 118 H HN 0.131 nan 8.280 nan 0.000 0.492 119 I N 0.559 121.098 120.570 -0.051 0.000 2.286 119 I HA -0.264 3.906 4.170 -0.000 0.000 0.248 119 I C 2.874 178.963 176.117 -0.046 0.000 1.115 119 I CA 1.041 62.323 61.300 -0.030 0.000 1.392 119 I CB -0.217 37.781 38.000 -0.004 0.000 1.065 119 I HN 0.209 nan 8.210 nan 0.000 0.418 120 R N -0.137 120.325 120.500 -0.064 0.000 2.096 120 R HA -0.154 4.186 4.340 -0.000 0.000 0.235 120 R C 2.545 178.844 176.300 -0.001 0.000 1.127 120 R CA 1.536 57.626 56.100 -0.017 0.000 0.968 120 R CB -0.455 29.820 30.300 -0.041 0.000 0.861 120 R HN 0.240 nan 8.270 nan 0.000 0.440 121 S N 0.246 115.887 115.700 -0.099 0.000 2.359 121 S HA -0.115 4.355 4.470 -0.000 0.000 0.224 121 S C 2.008 176.517 174.600 -0.151 0.000 1.035 121 S CA 1.293 59.408 58.200 -0.141 0.000 1.018 121 S CB -0.092 62.967 63.200 -0.235 0.000 0.876 121 S HN 0.115 nan 8.310 nan 0.000 0.448 122 V N 1.286 121.070 119.914 -0.216 0.000 2.343 122 V HA -0.174 3.946 4.120 -0.000 0.000 0.247 122 V C 2.007 178.096 176.094 -0.007 0.000 1.051 122 V CA 1.858 64.077 62.300 -0.135 0.000 1.036 122 V CB -0.844 30.910 31.823 -0.115 0.000 0.654 122 V HN 0.714 nan 8.190 nan 0.000 0.451 123 W N 1.138 122.365 121.300 -0.120 0.000 2.355 123 W HA -0.236 4.424 4.660 -0.000 0.000 0.309 123 W C 2.492 178.966 176.519 -0.076 0.000 1.206 123 W CA 2.258 59.552 57.345 -0.084 0.000 1.284 123 W CB -0.031 29.385 29.460 -0.073 0.000 1.145 123 W HN 0.360 nan 8.180 nan 0.000 0.502 124 E N 0.935 121.164 120.200 0.048 0.000 2.110 124 E HA -0.254 4.096 4.350 -0.000 0.000 0.193 124 E C 1.597 178.132 176.600 -0.108 0.000 0.988 124 E CA 2.158 58.539 56.400 -0.032 0.000 0.804 124 E CB -0.689 29.020 29.700 0.014 0.000 0.745 124 E HN 0.292 nan 8.360 nan 0.000 0.458 125 D N -0.927 119.407 120.400 -0.110 0.000 2.183 125 D HA -0.086 4.554 4.640 -0.000 0.000 0.203 125 D C 1.835 178.037 176.300 -0.165 0.000 0.969 125 D CA 0.922 54.851 54.000 -0.118 0.000 0.842 125 D CB -0.022 40.715 40.800 -0.104 0.000 0.957 125 D HN 0.267 nan 8.370 nan 0.000 0.484 126 L N -0.072 121.010 121.223 -0.235 0.000 2.141 126 L HA -0.077 4.263 4.340 -0.000 0.000 0.209 126 L C 2.330 179.001 176.870 -0.331 0.000 1.094 126 L CA 0.518 55.176 54.840 -0.304 0.000 0.763 126 L CB -0.264 41.548 42.059 -0.412 0.000 0.908 126 L HN 0.191 nan 8.230 nan 0.000 0.437 127 L N -0.811 120.195 121.223 -0.362 0.000 2.201 127 L HA -0.152 4.188 4.340 -0.000 0.000 0.212 127 L C 2.296 179.070 176.870 -0.160 0.000 1.105 127 L CA 1.134 55.810 54.840 -0.273 0.000 0.775 127 L CB -0.278 41.635 42.059 -0.243 0.000 0.913 127 L HN 0.293 nan 8.230 nan 0.000 0.440 128 E N -1.106 119.013 120.200 -0.134 0.000 2.166 128 E HA -0.053 4.297 4.350 -0.000 0.000 0.192 128 E C 0.217 176.776 176.600 -0.069 0.000 0.967 128 E CA 0.226 56.578 56.400 -0.081 0.000 0.840 128 E CB 0.412 30.075 29.700 -0.061 0.000 0.795 128 E HN 0.156 nan 8.360 nan 0.000 0.470 129 D N 0.383 120.727 120.400 -0.093 0.000 2.440 129 D HA 0.095 4.735 4.640 -0.000 0.000 0.239 129 D C -0.343 175.861 176.300 -0.160 0.000 1.084 129 D CA -0.184 53.769 54.000 -0.077 0.000 0.843 129 D CB 1.248 42.015 40.800 -0.055 0.000 1.097 129 D HN -0.142 nan 8.370 nan 0.000 0.531 130 Q N 2.061 121.709 119.800 -0.252 0.000 2.220 130 Q HA 0.155 4.495 4.340 -0.000 0.000 0.205 130 Q C 0.273 175.803 176.000 -0.784 0.000 0.865 130 Q CA 0.008 55.514 55.803 -0.496 0.000 0.960 130 Q CB 0.897 29.351 28.738 -0.473 0.000 1.097 130 Q HN 0.536 nan 8.270 nan 0.000 0.493 131 H N -1.850 117.177 119.070 -0.072 0.000 3.580 131 H HA 0.128 4.684 4.556 -0.000 0.000 0.245 131 H C 0.118 175.418 175.328 -0.047 0.000 1.015 131 H CA 0.101 56.113 56.048 -0.060 0.000 1.113 131 H CB 0.860 30.603 29.762 -0.032 0.000 1.469 131 H HN -0.013 nan 8.280 nan 0.000 0.554 132 T N 5.679 120.267 114.554 0.055 0.000 2.799 132 T HA 0.151 4.501 4.350 -0.000 0.000 0.296 132 T C -2.428 172.275 174.700 0.005 0.000 0.947 132 T CA -1.001 61.120 62.100 0.035 0.000 1.141 132 T CB 1.173 70.052 68.868 0.019 0.000 0.891 132 T HN 0.035 nan 8.240 nan 0.000 0.533 133 P HA 0.125 nan 4.420 nan 0.000 0.264 133 P C -0.275 177.013 177.300 -0.021 0.000 1.183 133 P CA -0.038 63.062 63.100 0.001 0.000 0.763 133 P CB 0.304 32.038 31.700 0.057 0.000 0.807 134 I N 2.410 122.949 120.570 -0.051 0.000 2.396 134 I HA 0.144 4.314 4.170 -0.000 0.000 0.292 134 I C 0.906 176.994 176.117 -0.047 0.000 0.999 134 I CA -0.426 60.849 61.300 -0.041 0.000 1.310 134 I CB 0.763 38.730 38.000 -0.054 0.000 1.404 134 I HN 0.317 nan 8.210 nan 0.000 0.496 135 D N 4.399 124.786 120.400 -0.023 0.000 2.414 135 D HA 0.190 4.830 4.640 -0.000 0.000 0.242 135 D C -0.306 175.958 176.300 -0.059 0.000 1.129 135 D CA 0.252 54.228 54.000 -0.039 0.000 0.885 135 D CB 0.817 41.610 40.800 -0.012 0.000 1.198 135 D HN 0.615 nan 8.370 nan 0.000 0.437 136 T N -0.531 113.964 114.554 -0.100 0.000 2.916 136 T HA 0.629 4.979 4.350 -0.000 0.000 0.292 136 T C -0.305 174.266 174.700 -0.216 0.000 1.064 136 T CA -0.972 61.038 62.100 -0.150 0.000 1.011 136 T CB 1.565 70.361 68.868 -0.119 0.000 1.152 136 T HN 0.224 nan 8.240 nan 0.000 0.510 137 T N 1.874 116.181 114.554 -0.413 0.000 2.829 137 T HA 0.595 4.945 4.350 -0.000 0.000 0.282 137 T C -0.410 174.090 174.700 -0.333 0.000 0.990 137 T CA -0.605 61.240 62.100 -0.423 0.000 1.028 137 T CB 0.849 69.335 68.868 -0.638 0.000 0.951 137 T HN 0.727 nan 8.240 nan 0.000 0.460 138 I N 3.985 124.486 120.570 -0.115 0.000 2.377 138 I HA 0.535 4.705 4.170 -0.000 0.000 0.293 138 I C -0.973 175.178 176.117 0.057 0.000 0.987 138 I CA -0.765 60.540 61.300 0.009 0.000 1.185 138 I CB 0.600 38.641 38.000 0.068 0.000 1.341 138 I HN 0.419 nan 8.210 nan 0.000 0.455 139 M N 6.499 126.175 119.600 0.127 0.000 2.572 139 M HA 0.503 4.983 4.480 -0.000 0.000 0.299 139 M C -0.590 175.776 176.300 0.111 0.000 1.205 139 M CA -0.636 54.743 55.300 0.132 0.000 0.876 139 M CB 1.804 34.525 32.600 0.201 0.000 1.728 139 M HN 0.598 nan 8.290 nan 0.000 0.458 140 A N 2.293 125.162 122.820 0.081 0.000 2.320 140 A HA 0.459 4.779 4.320 -0.000 0.000 0.287 140 A C -0.010 177.617 177.584 0.072 0.000 1.181 140 A CA -0.468 51.609 52.037 0.068 0.000 0.831 140 A CB 0.201 19.231 19.000 0.049 0.000 1.102 140 A HN 0.746 nan 8.150 nan 0.000 0.513 141 K N 2.128 122.572 120.400 0.075 0.000 2.326 141 K HA 0.083 4.403 4.320 -0.000 0.000 0.275 141 K C -0.614 176.012 176.600 0.043 0.000 1.018 141 K CA 0.152 56.473 56.287 0.057 0.000 0.962 141 K CB 0.515 33.052 32.500 0.062 0.000 0.953 141 K HN 0.769 nan 8.250 nan 0.000 0.475 142 N N 2.787 121.491 118.700 0.007 0.000 2.527 142 N HA 0.106 4.845 4.740 -0.000 0.000 0.236 142 N C -1.148 174.283 175.510 -0.131 0.000 0.999 142 N CA -0.313 52.717 53.050 -0.034 0.000 0.935 142 N CB 0.969 39.444 38.487 -0.020 0.000 1.132 142 N HN 0.387 nan 8.380 nan 0.000 0.511 143 E N 1.004 121.102 120.200 -0.169 0.000 2.288 143 E HA 0.436 4.786 4.350 -0.000 0.000 0.268 143 E C -0.921 175.286 176.600 -0.655 0.000 0.885 143 E CA -0.975 55.199 56.400 -0.377 0.000 0.767 143 E CB 2.587 32.121 29.700 -0.275 0.000 1.220 143 E HN 0.100 nan 8.360 nan 0.000 0.427 144 V N 3.075 122.428 119.914 -0.936 0.000 2.472 144 V HA 0.512 4.632 4.120 -0.000 0.000 0.290 144 V C -0.776 174.624 176.094 -1.158 0.000 1.037 144 V CA -0.241 61.480 62.300 -0.966 0.000 0.908 144 V CB 0.274 31.551 31.823 -0.909 0.000 0.985 144 V HN 0.519 nan 8.190 nan 0.000 0.454 145 F N 1.949 121.526 119.950 -0.622 0.000 2.715 145 F HA 0.593 5.120 4.527 -0.000 0.000 0.318 145 F C -0.074 175.508 175.800 -0.363 0.000 1.141 145 F CA -0.732 56.981 58.000 -0.478 0.000 0.950 145 F CB 1.330 40.017 39.000 -0.521 0.000 1.374 145 F HN 0.518 nan 8.300 nan 0.000 0.477 146 C N 2.619 122.001 119.300 0.136 0.000 2.355 146 C HA 0.688 5.148 4.460 -0.000 0.000 0.332 146 C C 0.227 175.418 174.990 0.334 0.000 1.255 146 C CA -0.810 58.331 59.018 0.204 0.000 1.792 146 C CB -0.534 27.286 27.740 0.133 0.000 2.300 146 C HN 0.571 nan 8.230 nan 0.000 0.515 147 I N 5.487 126.278 120.570 0.367 0.000 2.752 147 I HA 0.086 4.256 4.170 -0.000 0.000 0.289 147 I C 0.556 176.753 176.117 0.133 0.000 1.197 147 I CA 0.966 62.412 61.300 0.243 0.000 1.432 147 I CB 0.166 38.233 38.000 0.112 0.000 1.359 147 I HN 0.698 nan 8.210 nan 0.000 0.571 155 K N 2.062 122.425 120.400 -0.062 0.000 2.185 155 K HA 0.425 4.745 4.320 -0.000 0.000 0.271 155 K C -2.329 174.270 176.600 -0.002 0.000 1.013 155 K CA -1.344 54.899 56.287 -0.073 0.000 0.943 155 K CB 0.430 32.807 32.500 -0.206 0.000 0.998 155 K HN 0.084 nan 8.250 nan 0.000 0.468 156 P HA 0.036 nan 4.420 nan 0.000 0.274 156 P C -0.714 176.618 177.300 0.053 0.000 1.237 156 P CA -0.466 62.645 63.100 0.018 0.000 0.793 156 P CB 0.764 32.462 31.700 -0.005 0.000 0.977 157 A N 3.170 126.035 122.820 0.074 0.000 2.498 157 A HA 0.090 4.410 4.320 -0.000 0.000 0.239 157 A C 0.667 178.301 177.584 0.082 0.000 1.068 157 A CA -0.098 51.998 52.037 0.098 0.000 0.766 157 A CB -0.302 18.748 19.000 0.083 0.000 1.003 157 A HN 0.448 nan 8.150 nan 0.000 0.497 158 R N 0.300 120.864 120.500 0.107 0.000 2.641 158 R HA 0.296 4.636 4.340 -0.000 0.000 0.269 158 R C -0.941 175.415 176.300 0.094 0.000 1.074 158 R CA -0.494 55.669 56.100 0.104 0.000 1.133 158 R CB 0.189 30.564 30.300 0.124 0.000 1.029 158 R HN 0.469 nan 8.270 nan 0.000 0.488 159 L N 2.724 124.005 121.223 0.097 0.000 2.309 159 L HA 0.443 4.783 4.340 -0.000 0.000 0.282 159 L C -0.292 176.658 176.870 0.132 0.000 1.036 159 L CA -0.569 54.330 54.840 0.098 0.000 0.806 159 L CB 1.241 43.343 42.059 0.072 0.000 1.220 159 L HN 0.480 nan 8.230 nan 0.000 0.429 160 I N 2.929 123.592 120.570 0.155 0.000 2.509 160 I HA 0.626 4.796 4.170 -0.000 0.000 0.293 160 I C -0.985 175.285 176.117 0.255 0.000 1.020 160 I CA -0.380 61.041 61.300 0.202 0.000 1.088 160 I CB 1.918 40.031 38.000 0.188 0.000 1.267 160 I HN 0.218 nan 8.210 nan 0.000 0.430 161 V N 8.865 128.929 119.914 0.251 0.000 2.487 161 V HA 0.571 4.691 4.120 -0.000 0.000 0.298 161 V C -1.124 175.126 176.094 0.260 0.000 1.028 161 V CA -0.531 61.876 62.300 0.179 0.000 0.860 161 V CB 1.136 33.044 31.823 0.143 0.000 0.991 161 V HN 0.687 nan 8.190 nan 0.000 0.427 162 Y N 4.444 124.787 120.300 0.071 0.000 2.571 162 Y HA 0.887 5.437 4.550 -0.000 0.000 0.341 162 Y C -3.157 172.782 175.900 0.064 0.000 1.076 162 Y CA -2.760 55.386 58.100 0.076 0.000 1.029 162 Y CB 1.950 40.453 38.460 0.072 0.000 1.308 162 Y HN 0.427 nan 8.280 nan 0.000 0.461 163 P HA 0.157 nan 4.420 nan 0.000 0.281 163 P C -0.927 176.484 177.300 0.185 0.000 1.281 163 P CA -0.209 62.952 63.100 0.101 0.000 0.811 163 P CB 1.374 33.142 31.700 0.113 0.000 1.154 164 D N -0.628 119.857 120.400 0.142 0.000 2.449 164 D HA -0.066 4.573 4.640 -0.000 0.000 0.236 164 D C 1.349 177.767 176.300 0.197 0.000 1.149 164 D CA -0.231 53.872 54.000 0.172 0.000 0.878 164 D CB 0.285 41.218 40.800 0.222 0.000 1.198 164 D HN 0.106 nan 8.370 nan 0.000 0.446 165 L N 3.860 125.176 121.223 0.155 0.000 2.081 165 L HA -0.035 4.305 4.340 -0.000 0.000 0.212 165 L C 2.037 179.050 176.870 0.238 0.000 1.080 165 L CA 2.544 57.474 54.840 0.150 0.000 0.754 165 L CB -1.069 41.027 42.059 0.062 0.000 0.893 165 L HN 0.668 nan 8.230 nan 0.000 0.433 166 G N -1.207 107.799 108.800 0.344 0.000 2.440 166 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.218 166 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.218 166 G C 1.524 176.572 174.900 0.247 0.000 1.154 166 G CA 1.129 46.486 45.100 0.427 0.000 0.767 166 G HN 0.365 nan 8.290 nan 0.000 0.552 167 V N 0.823 120.862 119.914 0.209 0.000 2.358 167 V HA -0.164 3.956 4.120 -0.000 0.000 0.246 167 V C 2.914 179.099 176.094 0.152 0.000 1.047 167 V CA 1.924 64.313 62.300 0.148 0.000 1.035 167 V CB -0.475 31.419 31.823 0.118 0.000 0.658 167 V HN 0.333 nan 8.190 nan 0.000 0.452 168 R N -0.231 120.368 120.500 0.165 0.000 2.096 168 R HA -0.108 4.232 4.340 -0.000 0.000 0.235 168 R C 2.210 178.570 176.300 0.099 0.000 1.127 168 R CA 1.371 57.563 56.100 0.152 0.000 0.968 168 R CB -0.598 29.790 30.300 0.148 0.000 0.861 168 R HN 0.437 nan 8.270 nan 0.000 0.440 169 V N 0.445 120.415 119.914 0.094 0.000 2.358 169 V HA -0.269 3.850 4.120 -0.000 0.000 0.246 169 V C 2.526 178.641 176.094 0.035 0.000 1.047 169 V CA 1.474 63.795 62.300 0.034 0.000 1.035 169 V CB -0.477 31.373 31.823 0.046 0.000 0.658 169 V HN 0.425 nan 8.190 nan 0.000 0.452 170 C N 0.209 119.584 119.300 0.125 0.000 2.413 170 C HA -0.168 4.292 4.460 -0.000 0.000 0.276 170 C C 2.673 177.806 174.990 0.238 0.000 1.248 170 C CA 1.122 60.291 59.018 0.252 0.000 1.742 170 C CB -1.058 26.881 27.740 0.331 0.000 2.017 170 C HN 0.642 nan 8.230 nan 0.000 0.481 171 E N 0.835 121.127 120.200 0.153 0.000 2.085 171 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 171 E C 2.143 178.718 176.600 -0.041 0.000 0.994 171 E CA 1.207 57.697 56.400 0.151 0.000 0.801 171 E CB -0.183 29.679 29.700 0.270 0.000 0.743 171 E HN 0.633 nan 8.360 nan 0.000 0.453 172 K N 0.426 120.690 120.400 -0.226 0.000 2.032 172 K HA -0.117 4.202 4.320 -0.000 0.000 0.209 172 K C 2.225 178.696 176.600 -0.214 0.000 1.048 172 K CA 1.415 57.417 56.287 -0.475 0.000 0.927 172 K CB -0.142 32.104 32.500 -0.422 0.000 0.712 172 K HN 0.127 nan 8.250 nan 0.000 0.441 173 M N 0.160 119.692 119.600 -0.113 0.000 2.149 173 M HA -0.192 4.288 4.480 -0.000 0.000 0.261 173 M C 2.350 178.666 176.300 0.027 0.000 1.064 173 M CA 1.717 56.945 55.300 -0.121 0.000 1.102 173 M CB -0.304 32.105 32.600 -0.319 0.000 1.369 173 M HN 0.242 nan 8.290 nan 0.000 0.408 174 A N -0.696 122.238 122.820 0.191 0.000 1.975 174 A HA 0.077 4.396 4.320 -0.000 0.000 0.215 174 A C 1.779 179.434 177.584 0.118 0.000 1.170 174 A CA 1.010 53.197 52.037 0.250 0.000 0.656 174 A CB -0.096 19.077 19.000 0.289 0.000 0.821 174 A HN 0.484 nan 8.150 nan 0.000 0.449 175 L N -3.027 118.233 121.223 0.061 0.000 3.039 175 L HA 0.214 4.554 4.340 -0.000 0.000 0.269 175 L C 1.764 178.712 176.870 0.130 0.000 1.169 175 L CA 0.036 54.917 54.840 0.069 0.000 0.986 175 L CB 0.090 42.250 42.059 0.169 0.000 1.377 175 L HN 0.445 nan 8.230 nan 0.000 0.575 176 Y N 1.233 121.451 120.300 -0.136 0.000 2.181 176 Y HA -0.292 4.258 4.550 -0.000 0.000 0.288 176 Y C 2.166 178.101 175.900 0.058 0.000 1.146 176 Y CA 2.168 60.230 58.100 -0.063 0.000 1.164 176 Y CB 0.138 38.473 38.460 -0.209 0.000 0.982 176 Y HN 0.237 nan 8.280 nan 0.000 0.515 177 D N -0.123 120.293 120.400 0.026 0.000 2.117 177 D HA -0.181 4.459 4.640 -0.000 0.000 0.198 177 D C 2.144 178.390 176.300 -0.091 0.000 0.982 177 D CA 1.690 55.658 54.000 -0.053 0.000 0.828 177 D CB -0.313 40.508 40.800 0.036 0.000 0.967 177 D HN 0.472 nan 8.370 nan 0.000 0.464 178 I N 0.476 121.016 120.570 -0.051 0.000 2.208 178 I HA -0.303 3.867 4.170 -0.000 0.000 0.245 178 I C 2.383 178.446 176.117 -0.090 0.000 1.097 178 I CA 1.206 62.470 61.300 -0.061 0.000 1.363 178 I CB -0.303 37.645 38.000 -0.086 0.000 1.051 178 I HN 0.039 nan 8.210 nan 0.000 0.413 179 A N 0.054 122.824 122.820 -0.083 0.000 1.972 179 A HA -0.233 4.086 4.320 -0.000 0.000 0.219 179 A C 2.198 179.684 177.584 -0.164 0.000 1.169 179 A CA 1.389 53.369 52.037 -0.096 0.000 0.635 179 A CB -0.512 18.503 19.000 0.026 0.000 0.810 179 A HN 0.528 nan 8.150 nan 0.000 0.446 180 Q N -0.915 118.737 119.800 -0.246 0.000 2.297 180 Q HA -0.075 4.265 4.340 -0.000 0.000 0.204 180 Q C 1.543 177.469 176.000 -0.123 0.000 0.962 180 Q CA 1.376 57.057 55.803 -0.203 0.000 0.879 180 Q CB -0.020 28.563 28.738 -0.258 0.000 0.947 180 Q HN 0.664 nan 8.270 nan 0.000 0.462 181 K N -0.484 119.842 120.400 -0.124 0.000 2.403 181 K HA 0.169 4.488 4.320 -0.000 0.000 0.199 181 K C 1.775 178.300 176.600 -0.125 0.000 1.199 181 K CA -0.141 56.087 56.287 -0.099 0.000 0.924 181 K CB 0.362 32.823 32.500 -0.066 0.000 1.137 181 K HN 0.010 nan 8.250 nan 0.000 0.510 182 L N 1.720 122.865 121.223 -0.129 0.000 2.044 182 L HA -0.046 4.293 4.340 -0.000 0.000 0.205 182 L C -1.036 175.705 176.870 -0.215 0.000 1.075 182 L CA 1.442 56.215 54.840 -0.111 0.000 0.747 182 L CB -0.625 41.420 42.059 -0.024 0.000 0.903 182 L HN 0.026 nan 8.230 nan 0.000 0.435 183 P HA -0.227 nan 4.420 nan 0.000 0.215 183 P C 1.285 178.223 177.300 -0.604 0.000 1.157 183 P CA 1.550 64.268 63.100 -0.637 0.000 0.868 183 P CB 0.002 30.957 31.700 -1.243 0.000 0.788 184 K N -0.488 119.605 120.400 -0.511 0.000 2.097 184 K HA -0.061 4.259 4.320 -0.000 0.000 0.205 184 K C 1.992 178.508 176.600 -0.140 0.000 1.050 184 K CA 1.267 57.435 56.287 -0.197 0.000 0.938 184 K CB -0.541 31.933 32.500 -0.043 0.000 0.718 184 K HN -0.050 nan 8.250 nan 0.000 0.442 185 A N 1.418 124.155 122.820 -0.138 0.000 1.969 185 A HA -0.093 4.226 4.320 -0.000 0.000 0.218 185 A C 2.010 179.539 177.584 -0.092 0.000 1.169 185 A CA 1.476 53.460 52.037 -0.088 0.000 0.635 185 A CB -0.634 18.326 19.000 -0.067 0.000 0.810 185 A HN 0.571 nan 8.150 nan 0.000 0.445 186 I N -5.353 115.133 120.570 -0.140 0.000 3.228 186 I HA 0.141 4.311 4.170 -0.000 0.000 0.279 186 I C 1.808 177.781 176.117 -0.240 0.000 1.221 186 I CA 0.970 62.185 61.300 -0.141 0.000 1.458 186 I CB 0.008 37.935 38.000 -0.122 0.000 1.105 186 I HN 0.157 nan 8.210 nan 0.000 0.445 187 M N 0.886 120.286 119.600 -0.333 0.000 2.304 187 M HA 0.377 4.857 4.480 -0.000 0.000 0.281 187 M C 1.559 177.753 176.300 -0.176 0.000 1.014 187 M CA 0.524 55.531 55.300 -0.489 0.000 1.054 187 M CB 0.719 32.953 32.600 -0.610 0.000 1.551 187 M HN 0.434 nan 8.290 nan 0.000 0.548 188 G N 2.590 111.337 108.800 -0.088 0.000 2.685 188 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.329 188 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.329 188 G C -1.821 173.094 174.900 0.025 0.000 1.271 188 G CA 0.555 45.652 45.100 -0.004 0.000 1.003 188 G HN 0.257 nan 8.290 nan 0.000 0.549 189 P HA 0.099 nan 4.420 nan 0.000 0.225 189 P C 1.836 179.137 177.300 0.002 0.000 1.148 189 P CA 1.836 65.021 63.100 0.142 0.000 0.779 189 P CB -0.111 31.788 31.700 0.331 0.000 0.780 190 S N -2.123 113.594 115.700 0.029 0.000 2.489 190 S HA -0.081 4.389 4.470 -0.000 0.000 0.228 190 S C 0.598 175.156 174.600 -0.072 0.000 0.995 190 S CA -0.047 58.157 58.200 0.007 0.000 0.934 190 S CB -0.811 62.483 63.200 0.156 0.000 0.771 190 S HN 0.183 nan 8.310 nan 0.000 0.522 191 Y N 2.967 123.126 120.300 -0.235 0.000 2.531 191 Y HA 0.480 5.030 4.550 -0.000 0.000 0.347 191 Y C 1.138 176.844 175.900 -0.323 0.000 1.024 191 Y CA -1.413 56.534 58.100 -0.255 0.000 1.306 191 Y CB 0.007 38.332 38.460 -0.225 0.000 1.149 191 Y HN 0.012 nan 8.280 nan 0.000 0.527 192 G N 4.463 112.918 108.800 -0.574 0.000 2.464 192 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.217 192 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.217 192 G C 0.998 175.513 174.900 -0.642 0.000 1.138 192 G CA 0.074 44.835 45.100 -0.566 0.000 0.793 192 G HN 0.639 nan 8.290 nan 0.000 0.539 193 F N 1.746 121.264 119.950 -0.719 0.000 2.451 193 F HA -0.032 4.495 4.527 -0.000 0.000 0.299 193 F C 2.923 178.516 175.800 -0.345 0.000 1.101 193 F CA 0.840 58.600 58.000 -0.400 0.000 1.436 193 F CB -0.315 38.550 39.000 -0.224 0.000 1.074 193 F HN 0.389 nan 8.300 nan 0.000 0.553 194 Q N -0.476 118.894 119.800 -0.715 0.000 2.291 194 Q HA -0.178 4.162 4.340 -0.000 0.000 0.205 194 Q C -0.320 175.495 176.000 -0.308 0.000 0.970 194 Q CA 1.092 56.630 55.803 -0.442 0.000 0.876 194 Q CB -0.648 27.745 28.738 -0.574 0.000 0.935 194 Q HN 0.294 nan 8.270 nan 0.000 0.455 195 Y N 2.538 122.795 120.300 -0.071 0.000 2.327 195 Y HA 0.234 4.784 4.550 -0.000 0.000 0.336 195 Y C 0.718 176.457 175.900 -0.268 0.000 1.035 195 Y CA -1.103 56.914 58.100 -0.138 0.000 1.165 195 Y CB 1.121 39.482 38.460 -0.164 0.000 1.181 195 Y HN 0.131 nan 8.280 nan 0.000 0.494 196 S N 3.534 118.961 115.700 -0.455 0.000 2.587 196 S HA 0.115 4.585 4.470 -0.000 0.000 0.260 196 S C -1.837 172.506 174.600 -0.429 0.000 1.353 196 S CA -0.923 56.582 58.200 -1.159 0.000 0.995 196 S CB 0.866 63.507 63.200 -0.932 0.000 0.912 196 S HN 0.440 nan 8.310 nan 0.000 0.568 197 P HA -0.096 nan 4.420 nan 0.000 0.216 197 P C 1.556 178.837 177.300 -0.033 0.000 1.153 197 P CA 2.174 65.240 63.100 -0.057 0.000 0.858 197 P CB -0.304 31.432 31.700 0.061 0.000 0.789 198 A N -0.427 122.343 122.820 -0.083 0.000 1.968 198 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 198 A C 2.087 179.637 177.584 -0.055 0.000 1.169 198 A CA 1.417 53.440 52.037 -0.024 0.000 0.638 198 A CB -1.029 17.945 19.000 -0.044 0.000 0.812 198 A HN 0.190 nan 8.150 nan 0.000 0.446 199 E N -0.665 119.482 120.200 -0.090 0.000 2.107 199 E HA -0.158 4.192 4.350 -0.000 0.000 0.191 199 E C 2.227 178.695 176.600 -0.221 0.000 0.982 199 E CA 0.862 57.211 56.400 -0.084 0.000 0.809 199 E CB -0.140 29.589 29.700 0.049 0.000 0.756 199 E HN 0.595 nan 8.360 nan 0.000 0.459 200 R N 0.870 121.275 120.500 -0.158 0.000 2.083 200 R HA -0.160 4.180 4.340 -0.000 0.000 0.237 200 R C 2.256 178.491 176.300 -0.108 0.000 1.137 200 R CA 1.326 57.320 56.100 -0.176 0.000 0.951 200 R CB -0.250 30.025 30.300 -0.042 0.000 0.851 200 R HN 0.021 nan 8.270 nan 0.000 0.434 201 V N 1.267 121.142 119.914 -0.065 0.000 2.255 201 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 201 V C 1.961 177.993 176.094 -0.104 0.000 1.051 201 V CA 2.353 64.616 62.300 -0.061 0.000 1.018 201 V CB -0.658 31.164 31.823 -0.002 0.000 0.641 201 V HN 0.481 nan 8.190 nan 0.000 0.445 202 D N -0.830 119.512 120.400 -0.097 0.000 2.123 202 D HA -0.241 4.399 4.640 -0.000 0.000 0.196 202 D C 1.942 178.161 176.300 -0.134 0.000 0.992 202 D CA 1.406 55.339 54.000 -0.112 0.000 0.833 202 D CB -0.206 40.548 40.800 -0.078 0.000 0.954 202 D HN 0.365 nan 8.370 nan 0.000 0.455 203 F N 0.686 120.442 119.950 -0.324 0.000 2.065 203 F HA -0.166 4.361 4.527 -0.000 0.000 0.298 203 F C 1.934 177.606 175.800 -0.213 0.000 1.112 203 F CA 1.496 59.290 58.000 -0.344 0.000 1.212 203 F CB -0.346 38.279 39.000 -0.625 0.000 0.975 203 F HN 0.008 nan 8.300 nan 0.000 0.476 204 L N -0.400 120.757 121.223 -0.111 0.000 2.046 204 L HA -0.235 4.105 4.340 -0.000 0.000 0.208 204 L C 2.535 179.295 176.870 -0.184 0.000 1.077 204 L CA 1.142 55.897 54.840 -0.142 0.000 0.747 204 L CB -0.785 41.231 42.059 -0.072 0.000 0.896 204 L HN 0.233 nan 8.230 nan 0.000 0.432 205 L N -0.370 120.722 121.223 -0.218 0.000 2.046 205 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 205 L C 2.668 179.438 176.870 -0.167 0.000 1.077 205 L CA 1.476 56.172 54.840 -0.241 0.000 0.747 205 L CB -0.340 41.491 42.059 -0.381 0.000 0.896 205 L HN 0.211 nan 8.230 nan 0.000 0.432 206 K N -0.328 119.943 120.400 -0.215 0.000 2.057 206 K HA -0.121 4.199 4.320 -0.000 0.000 0.206 206 K C 2.199 178.663 176.600 -0.228 0.000 1.050 206 K CA 1.249 57.414 56.287 -0.203 0.000 0.935 206 K CB -0.238 32.137 32.500 -0.209 0.000 0.715 206 K HN 0.279 nan 8.250 nan 0.000 0.439 207 A N 1.435 124.047 122.820 -0.346 0.000 1.877 207 A HA -0.196 4.123 4.320 -0.000 0.000 0.216 207 A C 1.944 179.460 177.584 -0.113 0.000 1.186 207 A CA 1.119 52.971 52.037 -0.308 0.000 0.620 207 A CB -0.961 17.766 19.000 -0.454 0.000 0.822 207 A HN 0.587 nan 8.150 nan 0.000 0.443 208 W N 0.669 121.828 121.300 -0.236 0.000 2.358 208 W HA -0.139 4.521 4.660 -0.000 0.000 0.303 208 W C 2.073 178.509 176.519 -0.138 0.000 1.208 208 W CA 1.629 58.874 57.345 -0.166 0.000 1.274 208 W CB -0.393 28.969 29.460 -0.162 0.000 1.138 208 W HN 0.383 nan 8.180 nan 0.000 0.515 209 G N 0.070 108.879 108.800 0.016 0.000 2.443 209 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.219 209 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.219 209 G C 1.561 176.394 174.900 -0.111 0.000 1.131 209 G CA 1.256 46.325 45.100 -0.051 0.000 0.775 209 G HN 0.335 nan 8.290 nan 0.000 0.547 210 S N -0.313 115.310 115.700 -0.128 0.000 2.515 210 S HA 0.136 4.605 4.470 -0.000 0.000 0.231 210 S C 0.914 175.429 174.600 -0.142 0.000 0.987 210 S CA 0.347 58.472 58.200 -0.125 0.000 0.936 210 S CB 0.057 63.182 63.200 -0.126 0.000 0.766 210 S HN 0.039 nan 8.310 nan 0.000 0.528 211 K N 1.805 122.084 120.400 -0.202 0.000 2.130 211 K HA 0.325 4.645 4.320 -0.000 0.000 0.268 211 K C 0.845 177.327 176.600 -0.197 0.000 0.983 211 K CA -0.512 55.645 56.287 -0.216 0.000 0.893 211 K CB 1.462 33.770 32.500 -0.320 0.000 1.066 211 K HN 0.158 nan 8.250 nan 0.000 0.450 212 K N 1.238 121.552 120.400 -0.144 0.000 2.026 212 K HA -0.100 4.220 4.320 -0.000 0.000 0.208 212 K C -0.468 176.046 176.600 -0.142 0.000 1.048 212 K CA 1.478 57.693 56.287 -0.119 0.000 0.929 212 K CB 0.324 32.774 32.500 -0.082 0.000 0.713 212 K HN 0.491 nan 8.250 nan 0.000 0.439 213 D N 2.080 122.387 120.400 -0.155 0.000 2.404 213 D HA 0.223 4.863 4.640 -0.000 0.000 0.267 213 D C -2.598 173.570 176.300 -0.221 0.000 1.194 213 D CA -1.405 52.504 54.000 -0.150 0.000 0.910 213 D CB 1.689 42.440 40.800 -0.082 0.000 1.090 213 D HN 0.193 nan 8.370 nan 0.000 0.511 214 P HA 0.090 nan 4.420 nan 0.000 0.268 214 P C -0.179 176.836 177.300 -0.474 0.000 1.205 214 P CA -0.346 62.289 63.100 -0.774 0.000 0.771 214 P CB 1.288 31.812 31.700 -1.960 0.000 0.858 215 M N 2.064 121.481 119.600 -0.305 0.000 2.446 215 M HA 0.630 5.110 4.480 -0.000 0.000 0.294 215 M C -1.139 175.173 176.300 0.019 0.000 1.158 215 M CA -0.332 54.890 55.300 -0.130 0.000 0.899 215 M CB 2.534 35.096 32.600 -0.064 0.000 1.687 215 M HN 0.540 nan 8.290 nan 0.000 0.455 216 G N 3.584 112.468 108.800 0.139 0.000 2.574 216 G HA2 0.843 4.802 3.960 -0.000 0.000 0.299 216 G HA3 0.843 4.802 3.960 -0.000 0.000 0.299 216 G C -1.918 173.055 174.900 0.121 0.000 1.298 216 G CA -0.614 44.571 45.100 0.142 0.000 0.952 216 G HN 0.801 nan 8.290 nan 0.000 0.477 217 F N -0.348 119.563 119.950 -0.066 0.000 2.654 217 F HA 0.781 5.308 4.527 -0.000 0.000 0.308 217 F C -0.277 175.498 175.800 -0.042 0.000 1.108 217 F CA -1.447 56.507 58.000 -0.076 0.000 0.957 217 F CB 1.494 40.430 39.000 -0.107 0.000 1.309 217 F HN 0.607 nan 8.300 nan 0.000 0.446 218 S N 1.450 117.216 115.700 0.111 0.000 2.525 218 S HA 0.612 5.082 4.470 -0.000 0.000 0.290 218 S C -1.545 173.231 174.600 0.292 0.000 1.152 218 S CA -0.580 57.664 58.200 0.075 0.000 1.072 218 S CB 1.565 64.784 63.200 0.032 0.000 1.027 218 S HN 0.833 nan 8.310 nan 0.000 0.500 219 Y N 1.668 122.063 120.300 0.159 0.000 2.328 219 Y HA 0.460 5.010 4.550 -0.000 0.000 0.337 219 Y C -0.889 175.125 175.900 0.190 0.000 0.966 219 Y CA -0.956 57.306 58.100 0.271 0.000 1.136 219 Y CB 1.380 40.100 38.460 0.433 0.000 1.170 219 Y HN 0.844 nan 8.280 nan 0.000 0.470 220 D N 4.498 124.702 120.400 -0.326 0.000 2.443 220 D HA 0.202 4.842 4.640 -0.000 0.000 0.221 220 D C -0.772 175.347 176.300 -0.300 0.000 1.097 220 D CA -0.120 53.766 54.000 -0.190 0.000 0.865 220 D CB 0.830 41.558 40.800 -0.119 0.000 1.034 220 D HN 0.481 nan 8.370 nan 0.000 0.511 221 T N 3.722 118.265 114.554 -0.018 0.000 2.851 221 T HA 0.121 4.471 4.350 -0.000 0.000 0.298 221 T C 0.548 175.326 174.700 0.130 0.000 0.977 221 T CA -0.365 61.828 62.100 0.154 0.000 1.126 221 T CB 0.559 69.767 68.868 0.566 0.000 0.916 221 T HN 0.288 nan 8.240 nan 0.000 0.529 222 R N 2.366 122.907 120.500 0.069 0.000 2.399 222 R HA 0.134 4.473 4.340 -0.000 0.000 0.324 222 R C -0.105 176.296 176.300 0.169 0.000 1.030 222 R CA -0.208 55.931 56.100 0.064 0.000 0.984 222 R CB -0.703 29.574 30.300 -0.039 0.000 0.961 222 R HN 0.948 nan 8.270 nan 0.000 0.433 223 C N 5.314 124.744 119.300 0.217 0.000 3.268 223 C HA -0.166 4.294 4.460 -0.000 0.000 0.277 223 C C 1.352 176.546 174.990 0.340 0.000 1.259 223 C CA 0.090 59.286 59.018 0.296 0.000 2.353 223 C CB -2.942 25.023 27.740 0.375 0.000 1.482 223 C HN 1.008 nan 8.230 nan 0.000 0.513 224 F N 1.826 121.891 119.950 0.192 0.000 2.091 224 F HA -0.192 4.335 4.527 -0.000 0.000 0.299 224 F C 1.937 177.844 175.800 0.178 0.000 1.103 224 F CA 2.410 60.523 58.000 0.189 0.000 1.228 224 F CB 0.019 39.119 39.000 0.166 0.000 0.984 224 F HN 0.486 nan 8.300 nan 0.000 0.477 225 D N -0.386 120.211 120.400 0.328 0.000 2.149 225 D HA -0.157 4.482 4.640 -0.000 0.000 0.198 225 D C 2.453 178.785 176.300 0.053 0.000 0.990 225 D CA 1.594 55.715 54.000 0.201 0.000 0.839 225 D CB -0.504 40.437 40.800 0.234 0.000 0.948 225 D HN 0.254 nan 8.370 nan 0.000 0.460 226 S N -0.427 115.329 115.700 0.093 0.000 2.447 226 S HA -0.114 4.356 4.470 -0.000 0.000 0.233 226 S C 2.027 176.544 174.600 -0.138 0.000 1.006 226 S CA 1.475 59.628 58.200 -0.079 0.000 0.957 226 S CB -0.235 62.933 63.200 -0.052 0.000 0.773 226 S HN 0.532 nan 8.310 nan 0.000 0.507 227 T N -0.684 113.872 114.554 0.004 0.000 3.081 227 T HA 0.163 4.513 4.350 -0.000 0.000 0.255 227 T C 0.588 175.198 174.700 -0.150 0.000 1.113 227 T CA -0.069 62.035 62.100 0.007 0.000 1.082 227 T CB -0.383 68.486 68.868 0.003 0.000 0.939 227 T HN 0.034 nan 8.240 nan 0.000 0.506 228 V N 4.279 124.054 119.914 -0.231 0.000 2.485 228 V HA 0.269 4.389 4.120 -0.000 0.000 0.287 228 V C 1.182 177.207 176.094 -0.115 0.000 1.022 228 V CA -0.213 61.981 62.300 -0.176 0.000 1.067 228 V CB -0.104 31.645 31.823 -0.124 0.000 0.967 228 V HN 0.706 nan 8.190 nan 0.000 0.479 229 T N 1.212 115.717 114.554 -0.083 0.000 2.881 229 T HA 0.339 4.689 4.350 -0.000 0.000 0.278 229 T C 0.973 175.646 174.700 -0.046 0.000 0.982 229 T CA -0.623 61.435 62.100 -0.069 0.000 0.989 229 T CB 1.296 70.132 68.868 -0.054 0.000 1.058 229 T HN 0.638 nan 8.240 nan 0.000 0.529 230 E N -0.089 120.086 120.200 -0.041 0.000 2.077 230 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 230 E C 2.329 178.927 176.600 -0.003 0.000 0.989 230 E CA 0.869 57.259 56.400 -0.016 0.000 0.800 230 E CB -0.111 29.581 29.700 -0.013 0.000 0.746 230 E HN 0.609 nan 8.360 nan 0.000 0.452 231 R N 0.919 121.411 120.500 -0.012 0.000 2.105 231 R HA -0.187 4.153 4.340 -0.000 0.000 0.239 231 R C 1.515 177.818 176.300 0.005 0.000 1.135 231 R CA 1.765 57.861 56.100 -0.005 0.000 0.967 231 R CB 0.009 30.295 30.300 -0.023 0.000 0.861 231 R HN 0.117 nan 8.270 nan 0.000 0.442 232 D N 0.312 120.711 120.400 -0.002 0.000 2.117 232 D HA -0.156 4.484 4.640 -0.000 0.000 0.197 232 D C 1.893 178.205 176.300 0.020 0.000 0.987 232 D CA 1.311 55.323 54.000 0.020 0.000 0.829 232 D CB -0.104 40.702 40.800 0.009 0.000 0.961 232 D HN 0.332 nan 8.370 nan 0.000 0.460 233 I N 0.601 121.182 120.570 0.018 0.000 2.252 233 I HA -0.188 3.982 4.170 -0.000 0.000 0.245 233 I C 2.481 178.618 176.117 0.033 0.000 1.102 233 I CA 0.838 62.158 61.300 0.034 0.000 1.385 233 I CB -0.050 37.986 38.000 0.060 0.000 1.064 233 I HN -0.110 nan 8.210 nan 0.000 0.414 234 R N -0.101 120.420 120.500 0.036 0.000 2.115 234 R HA -0.100 4.240 4.340 -0.000 0.000 0.230 234 R C 2.253 178.561 176.300 0.014 0.000 1.111 234 R CA 1.622 57.747 56.100 0.043 0.000 0.976 234 R CB -0.495 29.835 30.300 0.050 0.000 0.870 234 R HN 0.328 nan 8.270 nan 0.000 0.445 235 T N 0.927 115.483 114.554 0.004 0.000 2.777 235 T HA -0.110 4.239 4.350 -0.000 0.000 0.266 235 T C 1.449 176.092 174.700 -0.095 0.000 1.040 235 T CA 1.195 63.288 62.100 -0.011 0.000 1.141 235 T CB -0.044 68.852 68.868 0.046 0.000 0.868 235 T HN 0.358 nan 8.240 nan 0.000 0.444 236 E N 0.932 121.047 120.200 -0.142 0.000 2.070 236 E HA -0.209 4.141 4.350 -0.000 0.000 0.197 236 E C 2.284 178.480 176.600 -0.673 0.000 1.004 236 E CA 1.192 57.364 56.400 -0.380 0.000 0.805 236 E CB -0.131 29.388 29.700 -0.302 0.000 0.744 236 E HN 0.532 nan 8.360 nan 0.000 0.451 237 E N 0.482 120.489 120.200 -0.322 0.000 2.070 237 E HA -0.232 4.118 4.350 -0.000 0.000 0.197 237 E C 2.185 178.740 176.600 -0.074 0.000 1.004 237 E CA 1.674 58.005 56.400 -0.114 0.000 0.805 237 E CB -0.027 29.741 29.700 0.115 0.000 0.744 237 E HN 0.250 nan 8.360 nan 0.000 0.451 238 S N 0.084 115.745 115.700 -0.064 0.000 2.419 238 S HA -0.139 4.331 4.470 -0.000 0.000 0.233 238 S C 2.015 176.589 174.600 -0.044 0.000 1.016 238 S CA 0.974 59.160 58.200 -0.024 0.000 0.974 238 S CB -0.470 62.723 63.200 -0.012 0.000 0.786 238 S HN 0.287 nan 8.310 nan 0.000 0.492 239 I N 0.125 120.618 120.570 -0.128 0.000 2.233 239 I HA -0.103 4.067 4.170 -0.000 0.000 0.243 239 I C 2.278 178.396 176.117 0.002 0.000 1.093 239 I CA 1.186 62.426 61.300 -0.099 0.000 1.380 239 I CB -0.524 37.386 38.000 -0.149 0.000 1.067 239 I HN 0.204 nan 8.210 nan 0.000 0.413 240 Y N 1.097 121.420 120.300 0.038 0.000 2.207 240 Y HA -0.232 4.318 4.550 -0.000 0.000 0.287 240 Y C 2.624 178.550 175.900 0.043 0.000 1.156 240 Y CA 0.735 58.862 58.100 0.045 0.000 1.182 240 Y CB -1.070 37.434 38.460 0.074 0.000 0.979 240 Y HN 0.262 nan 8.280 nan 0.000 0.521 241 Q N -0.517 119.387 119.800 0.174 0.000 2.369 241 Q HA 0.043 4.383 4.340 -0.000 0.000 0.206 241 Q C 2.394 178.434 176.000 0.066 0.000 0.963 241 Q CA 0.924 56.791 55.803 0.107 0.000 0.894 241 Q CB -0.398 28.386 28.738 0.077 0.000 0.965 241 Q HN 0.524 nan 8.270 nan 0.000 0.475 242 A N 0.365 123.218 122.820 0.055 0.000 2.067 242 A HA -0.067 4.253 4.320 -0.000 0.000 0.219 242 A C 1.267 178.875 177.584 0.039 0.000 1.158 242 A CA 0.214 52.272 52.037 0.035 0.000 0.661 242 A CB -0.365 18.647 19.000 0.019 0.000 0.801 242 A HN 0.360 nan 8.150 nan 0.000 0.452 243 C N -0.306 119.029 119.300 0.059 0.000 2.705 243 C HA 0.383 4.843 4.460 -0.000 0.000 0.382 243 C C 1.376 176.392 174.990 0.042 0.000 1.322 243 C CA -0.259 58.789 59.018 0.050 0.000 2.290 243 C CB 0.235 28.013 27.740 0.064 0.000 2.650 243 C HN 0.499 nan 8.230 nan 0.000 0.695 244 S N 1.675 117.394 115.700 0.032 0.000 2.422 244 S HA 0.574 5.044 4.470 -0.000 0.000 0.283 244 S C -0.746 173.874 174.600 0.034 0.000 1.163 244 S CA -0.361 57.856 58.200 0.028 0.000 1.054 244 S CB -0.594 62.618 63.200 0.020 0.000 0.967 244 S HN 0.515 nan 8.310 nan 0.000 0.499 245 L N 5.367 126.613 121.223 0.039 0.000 2.371 245 L HA 0.569 4.909 4.340 -0.000 0.000 0.262 245 L C -2.266 174.630 176.870 0.044 0.000 1.006 245 L CA -2.633 52.235 54.840 0.047 0.000 0.818 245 L CB 2.023 44.119 42.059 0.061 0.000 1.354 245 L HN 0.430 nan 8.230 nan 0.000 0.415 246 P HA 0.032 nan 4.420 nan 0.000 0.268 246 P C 0.062 177.394 177.300 0.053 0.000 1.205 246 P CA -0.230 62.899 63.100 0.050 0.000 0.771 246 P CB 0.763 32.499 31.700 0.060 0.000 0.858 247 Q N 2.622 122.447 119.800 0.041 0.000 2.133 247 Q HA -0.276 4.064 4.340 -0.000 0.000 0.208 247 Q C 1.863 177.887 176.000 0.041 0.000 0.991 247 Q CA 2.199 58.022 55.803 0.033 0.000 0.867 247 Q CB -0.624 28.128 28.738 0.022 0.000 0.911 247 Q HN 0.617 nan 8.270 nan 0.000 0.417 248 E N -1.240 118.999 120.200 0.065 0.000 2.085 248 E HA -0.226 4.123 4.350 -0.000 0.000 0.194 248 E C 1.729 178.386 176.600 0.096 0.000 0.994 248 E CA 1.092 57.545 56.400 0.089 0.000 0.801 248 E CB -0.270 29.530 29.700 0.167 0.000 0.743 248 E HN 0.480 nan 8.360 nan 0.000 0.453 249 A N 1.282 124.180 122.820 0.130 0.000 1.902 249 A HA -0.190 4.129 4.320 -0.000 0.000 0.217 249 A C 2.130 179.760 177.584 0.077 0.000 1.181 249 A CA 1.482 53.600 52.037 0.134 0.000 0.623 249 A CB -0.463 18.614 19.000 0.128 0.000 0.818 249 A HN 0.194 nan 8.150 nan 0.000 0.443 250 R N -0.913 119.625 120.500 0.062 0.000 2.091 250 R HA -0.109 4.231 4.340 -0.000 0.000 0.238 250 R C 2.279 178.606 176.300 0.044 0.000 1.136 250 R CA 1.887 58.020 56.100 0.056 0.000 0.959 250 R CB -0.914 29.408 30.300 0.036 0.000 0.856 250 R HN 0.524 nan 8.270 nan 0.000 0.437 251 T N 0.746 115.303 114.554 0.004 0.000 2.708 251 T HA -0.089 4.261 4.350 -0.000 0.000 0.266 251 T C 2.015 176.671 174.700 -0.073 0.000 1.037 251 T CA 1.378 63.463 62.100 -0.025 0.000 1.146 251 T CB -0.148 68.682 68.868 -0.062 0.000 0.865 251 T HN 0.003 nan 8.240 nan 0.000 0.435 252 V N 1.219 121.037 119.914 -0.161 0.000 2.515 252 V HA -0.076 4.044 4.120 -0.000 0.000 0.250 252 V C 2.339 178.353 176.094 -0.133 0.000 1.058 252 V CA 1.207 63.333 62.300 -0.290 0.000 1.064 252 V CB -0.602 30.865 31.823 -0.594 0.000 0.675 252 V HN 0.478 nan 8.190 nan 0.000 0.461 253 I N -0.316 120.253 120.570 -0.000 0.000 2.286 253 I HA -0.265 3.905 4.170 -0.000 0.000 0.248 253 I C 2.529 178.713 176.117 0.111 0.000 1.115 253 I CA 1.815 63.177 61.300 0.102 0.000 1.392 253 I CB -0.468 37.636 38.000 0.172 0.000 1.065 253 I HN 0.391 nan 8.210 nan 0.000 0.418 254 H N 0.096 119.163 119.070 -0.004 0.000 2.357 254 H HA -0.154 4.402 4.556 -0.000 0.000 0.301 254 H C 2.454 177.723 175.328 -0.097 0.000 1.082 254 H CA 1.924 57.956 56.048 -0.026 0.000 1.342 254 H CB -0.002 29.737 29.762 -0.038 0.000 1.389 254 H HN 0.155 nan 8.280 nan 0.000 0.511 255 S N -0.753 114.819 115.700 -0.213 0.000 2.355 255 S HA -0.081 4.389 4.470 -0.000 0.000 0.222 255 S C 2.232 176.643 174.600 -0.315 0.000 1.031 255 S CA 1.201 59.214 58.200 -0.312 0.000 0.993 255 S CB -0.383 62.658 63.200 -0.265 0.000 0.859 255 S HN 0.470 nan 8.310 nan 0.000 0.453 256 L N 0.822 121.867 121.223 -0.297 0.000 2.083 256 L HA -0.092 4.248 4.340 -0.000 0.000 0.209 256 L C 2.774 179.299 176.870 -0.574 0.000 1.083 256 L CA 1.499 56.056 54.840 -0.471 0.000 0.752 256 L CB -1.010 40.761 42.059 -0.479 0.000 0.899 256 L HN 0.341 nan 8.230 nan 0.000 0.433 257 T N -0.946 113.451 114.554 -0.262 0.000 2.674 257 T HA -0.153 4.197 4.350 -0.000 0.000 0.265 257 T C 1.797 176.419 174.700 -0.129 0.000 1.039 257 T CA 1.224 63.294 62.100 -0.051 0.000 1.150 257 T CB -0.076 68.852 68.868 0.099 0.000 0.864 257 T HN 0.278 nan 8.240 nan 0.000 0.427 258 E N 0.878 120.924 120.200 -0.256 0.000 2.158 258 E HA 0.033 4.383 4.350 -0.000 0.000 0.191 258 E C 2.319 178.831 176.600 -0.148 0.000 0.982 258 E CA 0.737 57.010 56.400 -0.212 0.000 0.823 258 E CB -0.062 29.426 29.700 -0.354 0.000 0.766 258 E HN 0.460 nan 8.360 nan 0.000 0.468 259 R N -0.529 119.852 120.500 -0.198 0.000 2.223 259 R HA 0.125 4.465 4.340 -0.000 0.000 0.198 259 R C 1.767 177.981 176.300 -0.142 0.000 0.984 259 R CA 0.308 56.319 56.100 -0.148 0.000 1.018 259 R CB 0.336 30.537 30.300 -0.166 0.000 0.945 259 R HN 0.032 nan 8.270 nan 0.000 0.479 260 L N -2.291 118.811 121.223 -0.202 0.000 2.769 260 L HA 0.186 4.526 4.340 -0.000 0.000 0.175 260 L C 1.247 178.092 176.870 -0.042 0.000 1.099 260 L CA 0.610 55.344 54.840 -0.176 0.000 0.876 260 L CB -0.293 41.590 42.059 -0.293 0.000 1.498 260 L HN -0.152 nan 8.230 nan 0.000 0.499 261 Y N 0.839 121.143 120.300 0.006 0.000 2.181 261 Y HA -0.102 4.448 4.550 -0.000 0.000 0.288 261 Y C 2.631 178.530 175.900 -0.002 0.000 1.146 261 Y CA 1.739 59.855 58.100 0.026 0.000 1.164 261 Y CB -1.444 37.056 38.460 0.067 0.000 0.982 261 Y HN 0.222 nan 8.280 nan 0.000 0.515 262 V N -2.785 117.201 119.914 0.120 0.000 3.217 262 V HA 0.486 4.606 4.120 -0.000 0.000 0.264 262 V C 0.991 177.091 176.094 0.009 0.000 1.135 262 V CA 0.853 63.188 62.300 0.058 0.000 1.142 262 V CB -0.783 31.064 31.823 0.039 0.000 0.754 262 V HN 0.445 nan 8.190 nan 0.000 0.484 263 G N -2.116 106.672 108.800 -0.020 0.000 2.369 263 G HA2 0.576 4.536 3.960 -0.000 0.000 0.293 263 G HA3 0.576 4.536 3.960 -0.000 0.000 0.293 263 G C -0.425 174.344 174.900 -0.217 0.000 1.301 263 G CA -0.100 44.934 45.100 -0.111 0.000 0.913 263 G HN 1.675 nan 8.290 nan 0.000 0.540 264 G N -1.084 107.361 108.800 -0.592 0.000 2.337 264 G HA2 0.693 4.653 3.960 -0.000 0.000 0.298 264 G HA3 0.693 4.653 3.960 -0.000 0.000 0.298 264 G C -3.485 170.760 174.900 -1.091 0.000 1.335 264 G CA 0.249 44.877 45.100 -0.785 0.000 0.875 264 G HN 0.912 nan 8.290 nan 0.000 0.579 265 P HA 0.452 nan 4.420 nan 0.000 0.278 265 P C -0.567 176.611 177.300 -0.204 0.000 1.238 265 P CA -0.069 62.843 63.100 -0.314 0.000 0.794 265 P CB 1.000 32.671 31.700 -0.048 0.000 0.955 266 M N 1.385 120.907 119.600 -0.130 0.000 2.383 266 M HA 0.386 4.866 4.480 -0.000 0.000 0.325 266 M C -0.077 176.203 176.300 -0.033 0.000 1.092 266 M CA -0.237 55.013 55.300 -0.083 0.000 0.961 266 M CB 2.245 34.808 32.600 -0.062 0.000 1.672 266 M HN 0.168 nan 8.290 nan 0.000 0.438 267 T N 1.921 116.448 114.554 -0.045 0.000 2.829 267 T HA 0.395 4.745 4.350 -0.000 0.000 0.280 267 T C -0.177 174.509 174.700 -0.023 0.000 0.999 267 T CA -0.863 61.222 62.100 -0.025 0.000 0.983 267 T CB 1.055 69.897 68.868 -0.043 0.000 0.968 267 T HN 0.766 nan 8.240 nan 0.000 0.446 268 N N 0.652 119.356 118.700 0.007 0.000 2.327 268 N HA 0.083 4.823 4.740 -0.000 0.000 0.257 268 N C 1.435 176.941 175.510 -0.006 0.000 1.281 268 N CA -0.122 52.934 53.050 0.009 0.000 0.942 268 N CB 0.085 38.590 38.487 0.030 0.000 1.199 268 N HN 0.462 nan 8.380 nan 0.000 0.532 269 S N -1.319 114.384 115.700 0.006 0.000 2.474 269 S HA -0.075 4.395 4.470 -0.000 0.000 0.235 269 S C 0.921 175.519 174.600 -0.003 0.000 0.997 269 S CA 0.618 58.820 58.200 0.004 0.000 0.949 269 S CB -0.430 62.784 63.200 0.022 0.000 0.766 269 S HN 0.632 nan 8.310 nan 0.000 0.517 270 K N 0.761 121.161 120.400 0.000 0.000 2.417 270 K HA 0.292 4.612 4.320 -0.000 0.000 0.196 270 K C 1.106 177.701 176.600 -0.007 0.000 1.023 270 K CA 0.315 56.601 56.287 -0.002 0.000 1.122 270 K CB -0.076 32.427 32.500 0.004 0.000 0.850 270 K HN 0.516 nan 8.250 nan 0.000 0.521 271 G N 1.929 110.721 108.800 -0.013 0.000 2.143 271 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.248 271 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.248 271 G C -0.301 174.598 174.900 -0.003 0.000 0.991 271 G CA 0.006 45.096 45.100 -0.016 0.000 0.689 271 G HN 0.383 nan 8.290 nan 0.000 0.522 272 Q N 0.322 120.126 119.800 0.007 0.000 2.235 272 Q HA 0.559 4.899 4.340 -0.000 0.000 0.250 272 Q C 0.519 176.535 176.000 0.027 0.000 0.909 272 Q CA 0.009 55.823 55.803 0.018 0.000 0.910 272 Q CB 1.607 30.360 28.738 0.025 0.000 1.223 272 Q HN 0.303 nan 8.270 nan 0.000 0.432 273 S N 0.761 116.481 115.700 0.033 0.000 2.498 273 S HA 0.007 4.477 4.470 -0.000 0.000 0.281 273 S C 0.450 175.092 174.600 0.071 0.000 1.265 273 S CA -0.436 57.790 58.200 0.044 0.000 1.071 273 S CB 0.274 63.502 63.200 0.047 0.000 0.894 273 S HN 0.848 nan 8.310 nan 0.000 0.491 274 C N 4.361 123.713 119.300 0.086 0.000 2.800 274 C HA 0.680 5.140 4.460 -0.000 0.000 0.379 274 C C 1.122 176.234 174.990 0.204 0.000 1.304 274 C CA 0.725 59.838 59.018 0.158 0.000 1.960 274 C CB -0.859 26.975 27.740 0.156 0.000 2.599 274 C HN 1.070 nan 8.230 nan 0.000 0.578 275 G N -1.438 107.404 108.800 0.071 0.000 2.321 275 G HA2 0.404 4.364 3.960 -0.000 0.000 0.296 275 G HA3 0.404 4.364 3.960 -0.000 0.000 0.296 275 G C -2.387 172.486 174.900 -0.045 0.000 1.287 275 G CA -0.296 44.772 45.100 -0.053 0.000 0.846 275 G HN 0.201 nan 8.290 nan 0.000 0.508 276 Y N 0.492 120.658 120.300 -0.223 0.000 2.386 276 Y HA 0.710 5.260 4.550 -0.000 0.000 0.334 276 Y C 0.172 175.961 175.900 -0.185 0.000 1.002 276 Y CA -0.878 57.127 58.100 -0.157 0.000 1.068 276 Y CB 1.874 40.259 38.460 -0.125 0.000 1.203 276 Y HN 0.671 nan 8.280 nan 0.000 0.443 277 R N 4.875 125.185 120.500 -0.317 0.000 2.368 277 R HA 0.529 4.869 4.340 -0.000 0.000 0.302 277 R C -0.580 175.581 176.300 -0.232 0.000 1.002 277 R CA -0.499 55.425 56.100 -0.293 0.000 0.929 277 R CB 0.806 30.987 30.300 -0.198 0.000 1.073 277 R HN 0.891 nan 8.270 nan 0.000 0.464 278 R N 3.317 123.640 120.500 -0.295 0.000 2.668 278 R HA 0.210 4.550 4.340 -0.000 0.000 0.435 278 R C -0.747 175.413 176.300 -0.233 0.000 1.059 278 R CA -0.327 55.668 56.100 -0.175 0.000 1.073 278 R CB 0.465 30.704 30.300 -0.101 0.000 1.401 278 R HN 0.785 nan 8.270 nan 0.000 0.590 279 C N -1.970 117.154 119.300 -0.294 0.000 3.336 279 C HA 0.613 5.073 4.460 -0.000 0.000 0.352 279 C C -0.296 174.619 174.990 -0.124 0.000 1.567 279 C CA -1.545 57.324 59.018 -0.247 0.000 1.328 279 C CB 1.371 28.878 27.740 -0.389 0.000 1.922 279 C HN 0.387 nan 8.230 nan 0.000 0.439 280 R N 1.250 121.719 120.500 -0.051 0.000 2.538 280 R HA 0.451 4.790 4.340 -0.000 0.000 0.282 280 R C 0.165 176.511 176.300 0.077 0.000 1.009 280 R CA 1.030 57.152 56.100 0.036 0.000 1.063 280 R CB -0.125 30.224 30.300 0.082 0.000 0.945 280 R HN 1.231 nan 8.270 nan 0.000 0.414 281 A N 3.560 126.443 122.820 0.106 0.000 2.366 281 A HA 0.227 4.547 4.320 -0.000 0.000 0.272 281 A C 0.968 178.644 177.584 0.152 0.000 1.135 281 A CA 0.092 52.215 52.037 0.144 0.000 0.804 281 A CB 0.490 19.585 19.000 0.159 0.000 1.064 281 A HN 1.005 nan 8.150 nan 0.000 0.499 282 S N 1.908 117.711 115.700 0.173 0.000 2.522 282 S HA 0.086 4.556 4.470 -0.000 0.000 0.227 282 S C 1.094 175.779 174.600 0.143 0.000 0.986 282 S CA 0.737 59.030 58.200 0.156 0.000 0.929 282 S CB 0.079 63.378 63.200 0.166 0.000 0.769 282 S HN 1.223 nan 8.310 nan 0.000 0.529 283 G N 1.771 110.678 108.800 0.179 0.000 4.044 283 G HA2 0.496 4.456 3.960 -0.000 0.000 0.297 283 G HA3 0.496 4.456 3.960 -0.000 0.000 0.297 283 G C -0.016 175.006 174.900 0.203 0.000 1.101 283 G CA -0.047 45.162 45.100 0.181 0.000 0.884 283 G HN 0.554 nan 8.290 nan 0.000 0.538 284 V N -3.126 116.897 119.914 0.182 0.000 2.850 284 V HA 0.635 4.755 4.120 -0.000 0.000 0.315 284 V C 1.323 177.518 176.094 0.169 0.000 1.064 284 V CA -1.015 61.426 62.300 0.235 0.000 0.979 284 V CB 1.476 33.496 31.823 0.329 0.000 1.039 284 V HN 0.082 nan 8.190 nan 0.000 0.452 285 F N 3.078 123.103 119.950 0.125 0.000 2.091 285 F HA -0.188 4.339 4.527 -0.000 0.000 0.299 285 F C 2.340 178.145 175.800 0.008 0.000 1.103 285 F CA 2.862 60.908 58.000 0.076 0.000 1.228 285 F CB -0.472 38.596 39.000 0.112 0.000 0.984 285 F HN 0.780 nan 8.300 nan 0.000 0.477 286 T N -3.297 111.124 114.554 -0.222 0.000 3.160 286 T HA -0.016 4.334 4.350 -0.000 0.000 0.257 286 T C 1.685 176.244 174.700 -0.234 0.000 1.147 286 T CA 0.912 62.804 62.100 -0.348 0.000 1.064 286 T CB -0.898 67.729 68.868 -0.402 0.000 0.949 286 T HN 0.256 nan 8.240 nan 0.000 0.526 287 T N 1.976 116.432 114.554 -0.162 0.000 2.635 287 T HA -0.179 4.171 4.350 -0.000 0.000 0.267 287 T C 2.191 176.879 174.700 -0.020 0.000 1.040 287 T CA 1.871 63.942 62.100 -0.047 0.000 1.156 287 T CB -0.712 68.162 68.868 0.010 0.000 0.863 287 T HN 0.559 nan 8.240 nan 0.000 0.430 288 S N 0.471 116.123 115.700 -0.079 0.000 2.355 288 S HA -0.058 4.412 4.470 -0.000 0.000 0.222 288 S C 2.145 176.772 174.600 0.045 0.000 1.031 288 S CA 1.606 59.795 58.200 -0.017 0.000 0.993 288 S CB -0.405 62.712 63.200 -0.139 0.000 0.859 288 S HN 0.529 nan 8.310 nan 0.000 0.453 289 M N 0.844 120.415 119.600 -0.048 0.000 2.086 289 M HA 0.024 4.504 4.480 -0.000 0.000 0.261 289 M C 2.055 178.401 176.300 0.076 0.000 1.067 289 M CA 2.044 57.351 55.300 0.012 0.000 1.116 289 M CB -0.905 31.661 32.600 -0.057 0.000 1.348 289 M HN 0.380 nan 8.290 nan 0.000 0.407 290 G N 0.430 109.271 108.800 0.069 0.000 2.421 290 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.216 290 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.216 290 G C 1.212 176.207 174.900 0.159 0.000 1.171 290 G CA 1.109 46.273 45.100 0.106 0.000 0.775 290 G HN 0.484 nan 8.290 nan 0.000 0.543 291 N N 0.367 119.174 118.700 0.180 0.000 2.166 291 N HA -0.072 4.668 4.740 -0.000 0.000 0.186 291 N C 2.351 177.937 175.510 0.126 0.000 1.019 291 N CA 1.507 54.703 53.050 0.244 0.000 0.856 291 N CB -0.649 37.918 38.487 0.133 0.000 0.993 291 N HN 0.231 nan 8.380 nan 0.000 0.426 292 T N 1.541 116.170 114.554 0.125 0.000 2.737 292 T HA -0.002 4.348 4.350 -0.000 0.000 0.265 292 T C 2.042 176.827 174.700 0.141 0.000 1.038 292 T CA 0.975 63.148 62.100 0.122 0.000 1.144 292 T CB -0.090 68.902 68.868 0.206 0.000 0.866 292 T HN 0.208 nan 8.240 nan 0.000 0.434 293 M N 0.840 120.516 119.600 0.127 0.000 2.117 293 M HA -0.088 4.392 4.480 -0.000 0.000 0.262 293 M C 2.533 178.945 176.300 0.188 0.000 1.065 293 M CA 1.421 56.796 55.300 0.125 0.000 1.114 293 M CB -0.954 31.683 32.600 0.063 0.000 1.361 293 M HN 0.182 nan 8.290 nan 0.000 0.408 294 T N -0.151 114.533 114.554 0.217 0.000 2.857 294 T HA -0.132 4.218 4.350 -0.000 0.000 0.266 294 T C 1.932 176.835 174.700 0.337 0.000 1.048 294 T CA 1.148 63.406 62.100 0.263 0.000 1.139 294 T CB -0.443 68.600 68.868 0.292 0.000 0.874 294 T HN 0.522 nan 8.240 nan 0.000 0.455 295 C N 0.760 120.289 119.300 0.383 0.000 2.432 295 C HA -0.096 4.364 4.460 -0.000 0.000 0.277 295 C C 2.368 177.502 174.990 0.241 0.000 1.249 295 C CA 0.553 59.763 59.018 0.320 0.000 1.725 295 C CB -1.368 26.418 27.740 0.077 0.000 2.028 295 C HN 0.668 nan 8.230 nan 0.000 0.477 296 Y N 1.128 121.486 120.300 0.097 0.000 2.145 296 Y HA -0.122 4.428 4.550 -0.000 0.000 0.286 296 Y C 2.138 178.066 175.900 0.046 0.000 1.145 296 Y CA 2.251 60.390 58.100 0.064 0.000 1.148 296 Y CB -0.343 38.139 38.460 0.038 0.000 0.981 296 Y HN 0.328 nan 8.280 nan 0.000 0.507 297 I N 0.350 120.943 120.570 0.039 0.000 2.142 297 I HA -0.323 3.847 4.170 -0.000 0.000 0.240 297 I C 2.353 178.366 176.117 -0.173 0.000 1.078 297 I CA 1.716 62.920 61.300 -0.161 0.000 1.343 297 I CB -0.405 37.519 38.000 -0.127 0.000 1.046 297 I HN 0.179 nan 8.210 nan 0.000 0.405 298 K N 0.794 121.196 120.400 0.004 0.000 2.057 298 K HA -0.166 4.154 4.320 -0.000 0.000 0.207 298 K C 2.250 178.899 176.600 0.083 0.000 1.049 298 K CA 1.586 57.916 56.287 0.073 0.000 0.931 298 K CB -0.298 32.335 32.500 0.222 0.000 0.714 298 K HN 0.325 nan 8.250 nan 0.000 0.440 299 A N 1.317 124.174 122.820 0.060 0.000 1.877 299 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 299 A C 2.109 179.738 177.584 0.075 0.000 1.186 299 A CA 1.171 53.276 52.037 0.114 0.000 0.620 299 A CB -0.547 18.563 19.000 0.183 0.000 0.822 299 A HN 0.217 nan 8.150 nan 0.000 0.443 300 L N -0.331 120.815 121.223 -0.129 0.000 2.093 300 L HA -0.022 4.318 4.340 -0.000 0.000 0.208 300 L C 2.681 179.511 176.870 -0.066 0.000 1.085 300 L CA 2.007 56.746 54.840 -0.168 0.000 0.755 300 L CB -0.674 41.112 42.059 -0.455 0.000 0.904 300 L HN 0.350 nan 8.230 nan 0.000 0.435 301 A N -0.719 122.067 122.820 -0.058 0.000 1.930 301 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 301 A C 2.420 180.085 177.584 0.134 0.000 1.175 301 A CA 1.605 53.676 52.037 0.057 0.000 0.627 301 A CB -1.007 18.009 19.000 0.026 0.000 0.815 301 A HN 0.523 nan 8.150 nan 0.000 0.443 302 A N -1.079 121.815 122.820 0.124 0.000 1.930 302 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 302 A C 2.268 179.862 177.584 0.016 0.000 1.175 302 A CA 1.496 53.468 52.037 -0.107 0.000 0.627 302 A CB -1.218 17.346 19.000 -0.727 0.000 0.815 302 A HN 0.579 nan 8.150 nan 0.000 0.443 303 C N -0.511 118.925 119.300 0.227 0.000 2.413 303 C HA -0.118 4.341 4.460 -0.000 0.000 0.276 303 C C 2.736 177.758 174.990 0.052 0.000 1.236 303 C CA 1.523 60.696 59.018 0.258 0.000 1.735 303 C CB -1.065 26.786 27.740 0.185 0.000 2.031 303 C HN 0.634 nan 8.230 nan 0.000 0.474 304 K N 1.013 121.381 120.400 -0.054 0.000 2.057 304 K HA -0.051 4.269 4.320 -0.000 0.000 0.206 304 K C 2.232 178.561 176.600 -0.451 0.000 1.050 304 K CA 1.441 57.612 56.287 -0.194 0.000 0.935 304 K CB -0.329 32.060 32.500 -0.185 0.000 0.715 304 K HN 0.468 nan 8.250 nan 0.000 0.439 305 A N 1.206 123.698 122.820 -0.548 0.000 1.940 305 A HA -0.114 4.206 4.320 -0.000 0.000 0.219 305 A C 2.219 179.705 177.584 -0.163 0.000 1.176 305 A CA 1.941 53.699 52.037 -0.466 0.000 0.631 305 A CB -0.554 18.327 19.000 -0.198 0.000 0.814 305 A HN 0.331 nan 8.150 nan 0.000 0.446 306 A N -2.100 120.674 122.820 -0.076 0.000 2.238 306 A HA 0.432 4.752 4.320 -0.000 0.000 0.210 306 A C 1.722 179.311 177.584 0.009 0.000 1.179 306 A CA 1.128 53.167 52.037 0.003 0.000 0.827 306 A CB -0.754 18.309 19.000 0.105 0.000 0.856 306 A HN 1.903 nan 8.150 nan 0.000 0.488 307 G N -0.138 108.656 108.800 -0.009 0.000 2.176 307 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.252 307 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.252 307 G C -0.013 174.900 174.900 0.021 0.000 1.024 307 G CA 0.139 45.241 45.100 0.003 0.000 0.755 307 G HN 0.327 nan 8.290 nan 0.000 0.507 308 I N 0.622 121.219 120.570 0.044 0.000 2.556 308 I HA 0.174 4.344 4.170 -0.000 0.000 0.284 308 I C 0.995 177.132 176.117 0.034 0.000 1.114 308 I CA -0.252 61.081 61.300 0.055 0.000 1.418 308 I CB 1.163 39.224 38.000 0.103 0.000 1.394 308 I HN -0.096 nan 8.210 nan 0.000 0.552 309 V N 6.624 126.551 119.914 0.021 0.000 2.348 309 V HA 0.196 4.316 4.120 -0.000 0.000 0.270 309 V C -0.095 175.997 176.094 -0.003 0.000 1.037 309 V CA -0.325 61.979 62.300 0.007 0.000 0.872 309 V CB 0.440 32.262 31.823 -0.001 0.000 1.002 309 V HN 0.793 nan 8.190 nan 0.000 0.464 310 D N 3.485 123.885 120.400 0.000 0.000 2.737 310 D HA -0.099 4.540 4.640 -0.000 0.000 0.243 310 D C -2.147 174.149 176.300 -0.006 0.000 1.109 310 D CA 0.236 54.232 54.000 -0.006 0.000 0.702 310 D CB -0.612 40.175 40.800 -0.022 0.000 1.068 310 D HN 0.495 nan 8.370 nan 0.000 0.432 311 P HA 0.161 nan 4.420 nan 0.000 0.271 311 P C -0.103 177.208 177.300 0.018 0.000 1.216 311 P CA -0.263 62.840 63.100 0.006 0.000 0.776 311 P CB 1.152 32.866 31.700 0.023 0.000 0.881 312 V N 4.968 124.886 119.914 0.007 0.000 2.378 312 V HA 0.365 4.484 4.120 -0.000 0.000 0.288 312 V C 0.442 176.589 176.094 0.088 0.000 1.016 312 V CA -0.313 62.020 62.300 0.055 0.000 0.840 312 V CB 1.132 32.939 31.823 -0.027 0.000 0.994 312 V HN 0.511 nan 8.190 nan 0.000 0.431 313 M N 5.447 125.146 119.600 0.165 0.000 2.508 313 M HA 0.619 5.099 4.480 -0.000 0.000 0.327 313 M C -1.304 175.112 176.300 0.192 0.000 1.160 313 M CA -0.837 54.543 55.300 0.134 0.000 0.980 313 M CB 2.311 34.986 32.600 0.125 0.000 1.693 313 M HN 0.405 nan 8.290 nan 0.000 0.452 314 L N 3.277 124.558 121.223 0.096 0.000 2.372 314 L HA 0.588 4.928 4.340 -0.000 0.000 0.273 314 L C -1.363 175.473 176.870 -0.057 0.000 0.989 314 L CA -0.449 54.385 54.840 -0.010 0.000 0.841 314 L CB 1.697 43.755 42.059 -0.001 0.000 1.225 314 L HN 0.472 nan 8.230 nan 0.000 0.414 315 V N 4.011 123.876 119.914 -0.081 0.000 2.409 315 V HA 0.437 4.557 4.120 -0.000 0.000 0.291 315 V C -0.554 175.368 176.094 -0.286 0.000 1.020 315 V CA -0.467 61.778 62.300 -0.092 0.000 0.848 315 V CB 1.452 33.306 31.823 0.051 0.000 0.990 315 V HN 0.835 nan 8.190 nan 0.000 0.430 316 C N 5.032 124.095 119.300 -0.394 0.000 2.521 316 C HA 0.750 5.210 4.460 -0.000 0.000 0.291 316 C C 1.298 176.074 174.990 -0.355 0.000 1.074 316 C CA 0.058 58.570 59.018 -0.844 0.000 1.495 316 C CB -0.417 26.751 27.740 -0.953 0.000 1.862 316 C HN 1.346 nan 8.230 nan 0.000 0.418 317 G N 4.490 113.258 108.800 -0.054 0.000 2.596 317 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.304 317 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.304 317 G C 0.748 175.513 174.900 -0.225 0.000 1.189 317 G CA 1.050 46.178 45.100 0.047 0.000 0.986 317 G HN 0.707 nan 8.290 nan 0.000 0.548 318 D N 1.217 121.418 120.400 -0.331 0.000 2.349 318 D HA 0.109 4.749 4.640 -0.000 0.000 0.224 318 D C 0.554 176.697 176.300 -0.262 0.000 1.029 318 D CA 0.981 54.600 54.000 -0.636 0.000 0.879 318 D CB -0.126 40.319 40.800 -0.591 0.000 0.906 318 D HN 0.455 nan 8.370 nan 0.000 0.528 319 D N 0.379 120.691 120.400 -0.146 0.000 2.277 319 D HA 0.320 4.959 4.640 -0.000 0.000 0.249 319 D C -0.964 175.303 176.300 -0.055 0.000 1.134 319 D CA -0.546 53.413 54.000 -0.069 0.000 0.863 319 D CB 1.210 41.961 40.800 -0.082 0.000 1.143 319 D HN 0.048 nan 8.370 nan 0.000 0.458 320 L N 4.360 125.593 121.223 0.017 0.000 2.408 320 L HA 0.482 4.822 4.340 -0.000 0.000 0.268 320 L C -1.658 175.192 176.870 -0.033 0.000 0.986 320 L CA -0.548 54.306 54.840 0.023 0.000 0.820 320 L CB 2.034 44.177 42.059 0.140 0.000 1.303 320 L HN 0.128 nan 8.230 nan 0.000 0.411 321 V N 4.894 124.750 119.914 -0.097 0.000 2.735 321 V HA 0.712 4.832 4.120 -0.000 0.000 0.310 321 V C -0.872 175.061 176.094 -0.270 0.000 1.061 321 V CA -0.683 61.500 62.300 -0.196 0.000 0.913 321 V CB 2.186 33.942 31.823 -0.112 0.000 1.005 321 V HN 0.537 nan 8.190 nan 0.000 0.428 322 V N 5.430 125.014 119.914 -0.550 0.000 2.577 322 V HA 0.561 4.681 4.120 -0.000 0.000 0.303 322 V C -0.524 175.352 176.094 -0.362 0.000 1.042 322 V CA -0.376 61.613 62.300 -0.518 0.000 0.872 322 V CB 1.890 33.181 31.823 -0.887 0.000 0.998 322 V HN 0.690 nan 8.190 nan 0.000 0.423 323 I N 4.338 124.825 120.570 -0.139 0.000 2.474 323 I HA 0.763 4.933 4.170 -0.000 0.000 0.294 323 I C 0.152 176.230 176.117 -0.065 0.000 1.005 323 I CA 0.052 61.327 61.300 -0.041 0.000 1.113 323 I CB 2.184 40.208 38.000 0.041 0.000 1.289 323 I HN 0.851 nan 8.210 nan 0.000 0.436 324 S N 3.866 119.526 115.700 -0.068 0.000 2.752 324 S HA 0.467 4.937 4.470 -0.000 0.000 0.284 324 S C -1.194 173.350 174.600 -0.094 0.000 1.189 324 S CA -1.102 57.062 58.200 -0.061 0.000 0.835 324 S CB 1.781 64.978 63.200 -0.005 0.000 1.192 324 S HN 0.422 nan 8.310 nan 0.000 0.506 325 E N 1.724 121.883 120.200 -0.068 0.000 2.290 325 E HA 0.305 4.654 4.350 -0.000 0.000 0.277 325 E C -0.123 176.460 176.600 -0.028 0.000 1.035 325 E CA 0.011 56.368 56.400 -0.071 0.000 0.873 325 E CB 1.529 31.195 29.700 -0.056 0.000 1.029 325 E HN 0.570 nan 8.360 nan 0.000 0.419 326 S N 2.495 118.187 115.700 -0.013 0.000 2.572 326 S HA 0.006 4.475 4.470 -0.000 0.000 0.279 326 S C 0.581 175.198 174.600 0.028 0.000 1.341 326 S CA -0.194 58.043 58.200 0.062 0.000 1.043 326 S CB 0.453 63.731 63.200 0.131 0.000 0.887 326 S HN 0.296 nan 8.310 nan 0.000 0.516 327 Q N 2.126 121.949 119.800 0.038 0.000 2.172 327 Q HA 0.304 4.644 4.340 -0.000 0.000 0.217 327 Q C 0.653 176.661 176.000 0.013 0.000 0.832 327 Q CA 0.482 56.294 55.803 0.016 0.000 1.010 327 Q CB 0.437 29.184 28.738 0.015 0.000 1.133 327 Q HN 1.036 nan 8.270 nan 0.000 0.489 328 G N 0.862 109.672 108.800 0.016 0.000 2.650 328 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.686 328 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.686 328 G C 0.214 175.129 174.900 0.024 0.000 1.205 328 G CA -0.356 44.744 45.100 -0.001 0.000 0.781 328 G HN 0.253 nan 8.290 nan 0.000 0.648 329 N N 0.300 118.995 118.700 -0.009 0.000 2.036 329 N HA -0.171 4.569 4.740 -0.000 0.000 0.195 329 N C 1.970 177.508 175.510 0.047 0.000 1.037 329 N CA 1.983 55.046 53.050 0.021 0.000 0.855 329 N CB 0.029 38.497 38.487 -0.031 0.000 1.033 329 N HN 0.770 nan 8.380 nan 0.000 0.423 330 E N 0.462 120.674 120.200 0.020 0.000 2.072 330 E HA -0.178 4.172 4.350 -0.000 0.000 0.190 330 E C 1.822 178.432 176.600 0.017 0.000 0.982 330 E CA 0.724 57.135 56.400 0.017 0.000 0.803 330 E CB 0.041 29.745 29.700 0.007 0.000 0.755 330 E HN 0.269 nan 8.360 nan 0.000 0.453 331 E N 1.246 121.456 120.200 0.016 0.000 2.110 331 E HA -0.193 4.156 4.350 -0.000 0.000 0.193 331 E C 1.326 177.935 176.600 0.016 0.000 0.988 331 E CA 1.313 57.721 56.400 0.013 0.000 0.804 331 E CB -0.042 29.664 29.700 0.011 0.000 0.745 331 E HN 0.136 nan 8.360 nan 0.000 0.458 332 D N 0.420 120.842 120.400 0.038 0.000 2.117 332 D HA -0.157 4.483 4.640 -0.000 0.000 0.197 332 D C 1.749 178.042 176.300 -0.012 0.000 0.987 332 D CA 0.995 55.014 54.000 0.031 0.000 0.829 332 D CB -0.161 40.708 40.800 0.115 0.000 0.961 332 D HN 0.259 nan 8.370 nan 0.000 0.460 333 E N 0.680 120.887 120.200 0.011 0.000 2.058 333 E HA -0.153 4.196 4.350 -0.000 0.000 0.194 333 E C 2.258 178.842 176.600 -0.026 0.000 0.997 333 E CA 0.685 57.079 56.400 -0.010 0.000 0.801 333 E CB -0.165 29.542 29.700 0.012 0.000 0.746 333 E HN 0.331 nan 8.360 nan 0.000 0.450 334 R N 0.490 120.982 120.500 -0.013 0.000 2.083 334 R HA -0.095 4.245 4.340 -0.000 0.000 0.237 334 R C 2.166 178.455 176.300 -0.019 0.000 1.137 334 R CA 1.548 57.641 56.100 -0.012 0.000 0.951 334 R CB -0.353 29.945 30.300 -0.004 0.000 0.851 334 R HN 0.281 nan 8.270 nan 0.000 0.434 335 N N 0.258 118.943 118.700 -0.024 0.000 2.223 335 N HA -0.124 4.616 4.740 -0.000 0.000 0.185 335 N C 1.763 177.242 175.510 -0.052 0.000 1.016 335 N CA 0.741 53.777 53.050 -0.023 0.000 0.863 335 N CB 0.003 38.479 38.487 -0.018 0.000 0.983 335 N HN 0.160 nan 8.380 nan 0.000 0.429 336 L N 0.632 121.775 121.223 -0.133 0.000 2.131 336 L HA -0.022 4.318 4.340 -0.000 0.000 0.206 336 L C 2.340 179.173 176.870 -0.061 0.000 1.087 336 L CA 0.744 55.438 54.840 -0.243 0.000 0.767 336 L CB -0.306 41.508 42.059 -0.407 0.000 0.917 336 L HN 0.139 nan 8.230 nan 0.000 0.441 337 R N 0.242 120.721 120.500 -0.034 0.000 2.091 337 R HA -0.166 4.174 4.340 -0.000 0.000 0.238 337 R C 2.408 178.716 176.300 0.014 0.000 1.136 337 R CA 1.483 57.585 56.100 0.003 0.000 0.959 337 R CB -0.397 29.900 30.300 -0.005 0.000 0.856 337 R HN 0.340 nan 8.270 nan 0.000 0.437 338 A N 0.400 123.225 122.820 0.008 0.000 1.930 338 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 338 A C 1.928 179.505 177.584 -0.011 0.000 1.175 338 A CA 0.975 53.009 52.037 -0.005 0.000 0.627 338 A CB -0.550 18.449 19.000 -0.002 0.000 0.815 338 A HN 0.410 nan 8.150 nan 0.000 0.443 339 F N 1.141 121.021 119.950 -0.117 0.000 2.146 339 F HA -0.120 4.407 4.527 -0.000 0.000 0.298 339 F C 2.375 178.085 175.800 -0.150 0.000 1.096 339 F CA 2.151 60.071 58.000 -0.134 0.000 1.275 339 F CB -0.420 38.491 39.000 -0.149 0.000 1.008 339 F HN 0.184 nan 8.300 nan 0.000 0.480 340 T N 0.316 114.926 114.554 0.093 0.000 2.746 340 T HA -0.187 4.163 4.350 -0.000 0.000 0.267 340 T C 1.638 176.306 174.700 -0.053 0.000 1.039 340 T CA 1.837 63.990 62.100 0.089 0.000 1.142 340 T CB -0.325 68.674 68.868 0.219 0.000 0.866 340 T HN 0.398 nan 8.240 nan 0.000 0.444 341 E N 1.206 121.358 120.200 -0.079 0.000 2.077 341 E HA -0.060 4.290 4.350 -0.000 0.000 0.193 341 E C 2.547 179.003 176.600 -0.240 0.000 0.989 341 E CA 1.039 57.369 56.400 -0.116 0.000 0.800 341 E CB -0.241 29.406 29.700 -0.088 0.000 0.746 341 E HN 0.478 nan 8.360 nan 0.000 0.452 342 A N 1.340 123.950 122.820 -0.350 0.000 1.877 342 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 342 A C 2.185 179.283 177.584 -0.810 0.000 1.186 342 A CA 1.289 52.956 52.037 -0.617 0.000 0.620 342 A CB -0.351 18.305 19.000 -0.574 0.000 0.822 342 A HN 0.109 nan 8.150 nan 0.000 0.443 343 M N -0.290 118.950 119.600 -0.600 0.000 2.106 343 M HA -0.136 4.344 4.480 -0.000 0.000 0.259 343 M C 2.200 178.407 176.300 -0.156 0.000 1.068 343 M CA 2.093 57.180 55.300 -0.355 0.000 1.100 343 M CB -1.931 30.399 32.600 -0.451 0.000 1.351 343 M HN 0.453 nan 8.290 nan 0.000 0.404 344 T N 0.129 114.600 114.554 -0.139 0.000 2.746 344 T HA -0.108 4.242 4.350 -0.000 0.000 0.267 344 T C 1.954 176.597 174.700 -0.094 0.000 1.039 344 T CA 1.104 63.170 62.100 -0.057 0.000 1.142 344 T CB -0.165 68.678 68.868 -0.041 0.000 0.866 344 T HN 0.374 nan 8.240 nan 0.000 0.444 345 R N 0.181 120.559 120.500 -0.203 0.000 2.103 345 R HA -0.108 4.232 4.340 -0.000 0.000 0.242 345 R C 1.908 178.171 176.300 -0.063 0.000 1.142 345 R CA 1.377 57.369 56.100 -0.180 0.000 0.960 345 R CB -0.418 29.704 30.300 -0.298 0.000 0.858 345 R HN 0.442 nan 8.270 nan 0.000 0.439 346 Y N 0.169 120.425 120.300 -0.074 0.000 2.578 346 Y HA 0.068 4.618 4.550 -0.000 0.000 0.297 346 Y C 0.888 176.748 175.900 -0.067 0.000 1.176 346 Y CA -0.223 57.820 58.100 -0.095 0.000 1.315 346 Y CB -0.369 38.057 38.460 -0.056 0.000 1.031 346 Y HN -0.018 nan 8.280 nan 0.000 0.524 347 S N -0.274 115.478 115.700 0.088 0.000 3.978 347 S HA -0.064 4.406 4.470 -0.000 0.000 0.402 347 S C -0.058 174.581 174.600 0.065 0.000 0.927 347 S CA 0.434 58.671 58.200 0.062 0.000 1.197 347 S CB -1.424 61.796 63.200 0.033 0.000 0.855 347 S HN 0.714 nan 8.310 nan 0.000 0.524 348 A N 2.062 124.946 122.820 0.107 0.000 3.453 348 A HA 0.579 4.899 4.320 -0.000 0.000 0.262 348 A C -2.425 175.309 177.584 0.250 0.000 1.026 348 A CA -0.796 51.349 52.037 0.181 0.000 0.938 348 A CB 0.812 19.978 19.000 0.276 0.000 1.246 348 A HN 0.420 nan 8.150 nan 0.000 0.546 349 P HA 0.275 nan 4.420 nan 0.000 0.269 349 P C -2.854 174.507 177.300 0.102 0.000 1.215 349 P CA -0.915 62.248 63.100 0.106 0.000 0.780 349 P CB 0.316 32.007 31.700 -0.014 0.000 0.898 350 P HA 0.135 nan 4.420 nan 0.000 0.281 350 P C 0.500 177.736 177.300 -0.105 0.000 1.249 350 P CA 0.029 63.051 63.100 -0.129 0.000 0.810 350 P CB 1.014 32.653 31.700 -0.101 0.000 1.008 351 G N 1.687 110.408 108.800 -0.132 0.000 2.542 351 G HA2 0.038 3.998 3.960 -0.000 0.000 0.211 351 G HA3 0.038 3.998 3.960 -0.000 0.000 0.211 351 G C -0.221 174.631 174.900 -0.080 0.000 1.702 351 G CA -0.024 45.027 45.100 -0.081 0.000 0.935 351 G HN 0.443 nan 8.290 nan 0.000 0.509 352 D N 1.240 121.595 120.400 -0.075 0.000 2.488 352 D HA 0.141 4.781 4.640 -0.000 0.000 0.238 352 D C 0.529 176.785 176.300 -0.074 0.000 1.138 352 D CA 0.279 54.244 54.000 -0.058 0.000 0.873 352 D CB 1.112 41.887 40.800 -0.041 0.000 1.183 352 D HN 0.016 nan 8.370 nan 0.000 0.458 353 L N 4.093 125.294 121.223 -0.037 0.000 2.456 353 L HA 0.170 4.510 4.340 -0.000 0.000 0.272 353 L C -1.622 175.252 176.870 0.005 0.000 1.189 353 L CA -1.488 53.345 54.840 -0.012 0.000 0.846 353 L CB -0.094 41.968 42.059 0.004 0.000 1.111 353 L HN 0.181 nan 8.230 nan 0.000 0.475 354 P HA 0.195 nan 4.420 nan 0.000 0.271 354 P C -1.282 176.012 177.300 -0.010 0.000 1.218 354 P CA -0.385 62.754 63.100 0.065 0.000 0.780 354 P CB 0.699 32.464 31.700 0.109 0.000 0.901 355 R N 1.400 121.905 120.500 0.008 0.000 2.673 355 R HA 0.656 4.996 4.340 -0.000 0.000 0.281 355 R C -3.047 173.240 176.300 -0.022 0.000 0.991 355 R CA -2.476 53.614 56.100 -0.017 0.000 0.896 355 R CB 0.883 31.188 30.300 0.008 0.000 1.201 355 R HN 0.137 nan 8.270 nan 0.000 0.457 356 P HA 0.088 nan 4.420 nan 0.000 0.271 356 P C -1.008 176.117 177.300 -0.292 0.000 1.220 356 P CA 0.055 63.041 63.100 -0.190 0.000 0.768 356 P CB 0.692 32.293 31.700 -0.165 0.000 0.848 357 E N 2.296 122.281 120.200 -0.358 0.000 2.222 357 E HA 0.236 4.586 4.350 -0.000 0.000 0.267 357 E C -0.588 175.836 176.600 -0.292 0.000 0.884 357 E CA -0.384 55.878 56.400 -0.230 0.000 0.764 357 E CB 1.525 31.180 29.700 -0.075 0.000 1.169 357 E HN 0.449 nan 8.360 nan 0.000 0.413 358 Y N -0.187 120.242 120.300 0.214 0.000 2.641 358 Y HA 0.200 4.750 4.550 -0.000 0.000 0.248 358 Y C 0.150 176.268 175.900 0.362 0.000 1.170 358 Y CA -0.413 57.880 58.100 0.321 0.000 1.201 358 Y CB 1.118 39.673 38.460 0.160 0.000 1.232 358 Y HN 0.268 nan 8.280 nan 0.000 0.537 359 D N 0.509 121.052 120.400 0.237 0.000 2.696 359 D HA 0.120 4.760 4.640 -0.000 0.000 0.251 359 D C 0.598 176.660 176.300 -0.396 0.000 1.188 359 D CA -0.286 53.720 54.000 0.010 0.000 0.876 359 D CB 2.172 42.966 40.800 -0.010 0.000 1.334 359 D HN 0.169 nan 8.370 nan 0.000 0.540 360 L N 4.467 125.181 121.223 -0.848 0.000 2.079 360 L HA -0.088 4.252 4.340 -0.000 0.000 0.210 360 L C 1.933 178.460 176.870 -0.571 0.000 1.081 360 L CA 1.970 56.133 54.840 -1.129 0.000 0.752 360 L CB -0.353 40.880 42.059 -1.378 0.000 0.896 360 L HN 0.619 nan 8.230 nan 0.000 0.433 361 E N -0.787 119.171 120.200 -0.404 0.000 2.265 361 E HA -0.199 4.151 4.350 -0.000 0.000 0.196 361 E C 1.893 178.281 176.600 -0.353 0.000 0.996 361 E CA 0.911 57.113 56.400 -0.330 0.000 0.832 361 E CB -0.107 29.415 29.700 -0.296 0.000 0.756 361 E HN 0.614 nan 8.360 nan 0.000 0.491 362 L N 0.791 121.820 121.223 -0.324 0.000 2.592 362 L HA 0.212 4.552 4.340 -0.000 0.000 0.227 362 L C 0.510 177.280 176.870 -0.167 0.000 1.127 362 L CA -0.182 54.509 54.840 -0.248 0.000 0.884 362 L CB 0.281 42.231 42.059 -0.181 0.000 1.065 362 L HN 0.087 nan 8.230 nan 0.000 0.457 363 I N 0.305 120.752 120.570 -0.205 0.000 2.325 363 I HA 0.083 4.253 4.170 -0.000 0.000 0.291 363 I C 0.035 176.085 176.117 -0.112 0.000 1.019 363 I CA 0.137 61.344 61.300 -0.154 0.000 1.302 363 I CB 1.331 39.207 38.000 -0.206 0.000 1.401 363 I HN -0.077 nan 8.210 nan 0.000 0.485 364 T N 4.855 119.371 114.554 -0.063 0.000 2.743 364 T HA 0.219 4.569 4.350 -0.000 0.000 0.292 364 T C -0.053 174.631 174.700 -0.028 0.000 0.972 364 T CA -0.395 61.685 62.100 -0.033 0.000 0.967 364 T CB 0.966 69.828 68.868 -0.010 0.000 0.926 364 T HN 0.599 nan 8.240 nan 0.000 0.459 365 S N 2.073 117.758 115.700 -0.025 0.000 2.498 365 S HA 0.319 4.789 4.470 -0.000 0.000 0.317 365 S C 0.627 175.218 174.600 -0.014 0.000 1.090 365 S CA -0.570 57.610 58.200 -0.033 0.000 1.089 365 S CB -0.168 63.002 63.200 -0.049 0.000 0.997 365 S HN 0.959 nan 8.310 nan 0.000 0.470 366 C N 3.792 123.080 119.300 -0.020 0.000 4.235 366 C HA -0.166 4.294 4.460 -0.000 0.000 0.301 366 C C 1.316 176.342 174.990 0.060 0.000 1.409 366 C CA 0.718 59.739 59.018 0.006 0.000 2.024 366 C CB -3.308 24.414 27.740 -0.030 0.000 1.286 366 C HN 1.394 nan 8.230 nan 0.000 0.746 367 S N -2.409 113.320 115.700 0.050 0.000 3.084 367 S HA -0.192 4.278 4.470 -0.000 0.000 0.277 367 S C 0.284 174.928 174.600 0.073 0.000 1.295 367 S CA 1.313 59.548 58.200 0.058 0.000 1.170 367 S CB -0.888 62.357 63.200 0.074 0.000 1.412 367 S HN 0.984 nan 8.310 nan 0.000 0.669 368 S N 2.241 117.996 115.700 0.092 0.000 2.607 368 S HA 0.759 5.229 4.470 -0.000 0.000 0.303 368 S C -0.177 174.460 174.600 0.061 0.000 1.086 368 S CA -0.804 57.477 58.200 0.136 0.000 0.995 368 S CB 1.537 64.885 63.200 0.246 0.000 1.084 368 S HN 0.608 nan 8.310 nan 0.000 0.507 369 N N -0.462 118.270 118.700 0.055 0.000 2.525 369 N HA 0.450 5.190 4.740 -0.000 0.000 0.270 369 N C -1.638 173.836 175.510 -0.059 0.000 1.321 369 N CA -0.611 52.422 53.050 -0.028 0.000 0.797 369 N CB 1.004 39.458 38.487 -0.056 0.000 1.529 369 N HN 0.307 nan 8.380 nan 0.000 0.491 370 V N 0.391 120.225 119.914 -0.133 0.000 2.509 370 V HA 0.489 4.608 4.120 -0.000 0.000 0.284 370 V C 0.360 176.309 176.094 -0.242 0.000 1.047 370 V CA -0.186 62.008 62.300 -0.177 0.000 0.952 370 V CB 0.913 32.633 31.823 -0.172 0.000 0.988 370 V HN 0.843 nan 8.190 nan 0.000 0.469 371 S N 2.952 118.388 115.700 -0.440 0.000 2.697 371 S HA 0.828 5.298 4.470 -0.000 0.000 0.289 371 S C -1.281 172.992 174.600 -0.546 0.000 1.149 371 S CA -0.477 57.435 58.200 -0.479 0.000 0.850 371 S CB 2.107 65.029 63.200 -0.463 0.000 1.151 371 S HN 0.582 nan 8.310 nan 0.000 0.491 372 V N 0.998 120.759 119.914 -0.253 0.000 2.914 372 V HA 1.008 5.127 4.120 -0.000 0.000 0.314 372 V C -0.364 175.745 176.094 0.026 0.000 1.084 372 V CA 0.262 62.431 62.300 -0.218 0.000 0.963 372 V CB 1.542 33.095 31.823 -0.451 0.000 1.025 372 V HN 1.317 nan 8.190 nan 0.000 0.432 373 A N 4.590 127.369 122.820 -0.068 0.000 2.515 373 A HA 0.864 5.183 4.320 -0.000 0.000 0.299 373 A C -1.942 175.426 177.584 -0.360 0.000 1.179 373 A CA -0.731 51.145 52.037 -0.268 0.000 0.656 373 A CB 1.334 20.000 19.000 -0.556 0.000 1.306 373 A HN 0.789 nan 8.150 nan 0.000 0.459 374 L N 1.359 122.268 121.223 -0.524 0.000 2.325 374 L HA 0.461 4.801 4.340 -0.000 0.000 0.278 374 L C -0.276 176.253 176.870 -0.569 0.000 1.023 374 L CA -0.942 53.584 54.840 -0.523 0.000 0.811 374 L CB 1.684 43.386 42.059 -0.595 0.000 1.249 374 L HN 0.973 nan 8.230 nan 0.000 0.431 375 D N -0.106 120.125 120.400 -0.283 0.000 2.511 375 D HA 0.084 4.724 4.640 -0.000 0.000 0.276 375 D C 1.013 177.332 176.300 0.032 0.000 1.220 375 D CA -0.260 53.656 54.000 -0.139 0.000 1.077 375 D CB 0.634 41.384 40.800 -0.083 0.000 1.126 375 D HN 0.459 nan 8.370 nan 0.000 0.583 376 S N -1.316 114.435 115.700 0.083 0.000 2.474 376 S HA -0.084 4.386 4.470 -0.000 0.000 0.235 376 S C 1.387 176.036 174.600 0.082 0.000 0.997 376 S CA 0.215 58.487 58.200 0.119 0.000 0.949 376 S CB -0.309 62.932 63.200 0.069 0.000 0.766 376 S HN 0.420 nan 8.310 nan 0.000 0.517 377 R N 0.786 121.317 120.500 0.051 0.000 2.334 377 R HA 0.233 4.572 4.340 -0.000 0.000 0.220 377 R C 1.448 177.769 176.300 0.035 0.000 0.917 377 R CA 0.551 56.672 56.100 0.034 0.000 1.073 377 R CB -0.329 29.983 30.300 0.020 0.000 1.056 377 R HN 0.629 nan 8.270 nan 0.000 0.506 378 G N 2.016 110.847 108.800 0.052 0.000 2.148 378 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.254 378 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.254 378 G C 0.003 174.891 174.900 -0.020 0.000 0.981 378 G CA 0.037 45.158 45.100 0.035 0.000 0.670 378 G HN 0.292 nan 8.290 nan 0.000 0.528 379 R N 0.018 120.495 120.500 -0.037 0.000 2.410 379 R HA 0.501 4.841 4.340 -0.000 0.000 0.288 379 R C 0.588 176.827 176.300 -0.101 0.000 1.051 379 R CA -0.773 55.298 56.100 -0.048 0.000 1.021 379 R CB 0.803 31.086 30.300 -0.028 0.000 1.032 379 R HN 0.267 nan 8.270 nan 0.000 0.481 380 R N 2.392 122.826 120.500 -0.111 0.000 2.484 380 R HA 0.079 4.419 4.340 -0.000 0.000 0.293 380 R C -0.027 176.153 176.300 -0.200 0.000 1.023 380 R CA 0.202 56.179 56.100 -0.204 0.000 1.037 380 R CB 0.382 30.542 30.300 -0.235 0.000 0.951 380 R HN 0.217 nan 8.270 nan 0.000 0.418 381 R N 3.023 123.375 120.500 -0.247 0.000 2.599 381 R HA 0.313 4.653 4.340 -0.000 0.000 0.295 381 R C -0.978 175.236 176.300 -0.145 0.000 0.963 381 R CA -0.946 55.075 56.100 -0.130 0.000 0.883 381 R CB 1.376 31.637 30.300 -0.065 0.000 1.171 381 R HN 0.494 nan 8.270 nan 0.000 0.450 382 Y N 2.340 122.694 120.300 0.091 0.000 2.420 382 Y HA 0.551 5.101 4.550 -0.000 0.000 0.334 382 Y C 0.251 176.244 175.900 0.155 0.000 1.094 382 Y CA -0.615 57.513 58.100 0.046 0.000 1.126 382 Y CB 1.393 39.827 38.460 -0.044 0.000 1.217 382 Y HN 0.540 nan 8.280 nan 0.000 0.462 383 F N 0.183 120.224 119.950 0.152 0.000 2.686 383 F HA 0.670 5.197 4.527 -0.000 0.000 0.311 383 F C -2.249 173.632 175.800 0.136 0.000 1.128 383 F CA -1.519 56.550 58.000 0.114 0.000 0.946 383 F CB 0.791 39.825 39.000 0.057 0.000 1.336 383 F HN 0.257 nan 8.300 nan 0.000 0.457 384 L N 1.819 123.183 121.223 0.233 0.000 2.312 384 L HA 0.754 5.094 4.340 -0.000 0.000 0.281 384 L C 0.005 177.147 176.870 0.454 0.000 1.070 384 L CA 0.511 55.487 54.840 0.227 0.000 0.805 384 L CB 1.401 43.605 42.059 0.241 0.000 1.174 384 L HN 1.010 nan 8.230 nan 0.000 0.434 385 T N 4.220 118.983 114.554 0.349 0.000 2.778 385 T HA 0.854 5.204 4.350 -0.000 0.000 0.293 385 T C -1.139 173.662 174.700 0.169 0.000 1.144 385 T CA -0.595 61.726 62.100 0.368 0.000 1.010 385 T CB 1.172 70.278 68.868 0.398 0.000 1.325 385 T HN 0.849 nan 8.240 nan 0.000 0.515 386 R N 0.478 121.003 120.500 0.042 0.000 2.762 386 R HA 0.498 4.838 4.340 -0.000 0.000 0.271 386 R C -1.491 174.667 176.300 -0.237 0.000 1.038 386 R CA -1.030 55.009 56.100 -0.102 0.000 0.906 386 R CB 0.356 30.520 30.300 -0.226 0.000 1.259 386 R HN 0.521 nan 8.270 nan 0.000 0.457 387 D N 1.444 121.698 120.400 -0.242 0.000 2.417 387 D HA 0.083 4.723 4.640 -0.000 0.000 0.250 387 D C -1.443 174.499 176.300 -0.597 0.000 1.166 387 D CA -1.493 52.302 54.000 -0.342 0.000 0.881 387 D CB 1.358 42.039 40.800 -0.198 0.000 1.164 387 D HN 0.326 nan 8.370 nan 0.000 0.467 388 P HA 0.015 nan 4.420 nan 0.000 0.249 388 P C 1.148 178.111 177.300 -0.562 0.000 1.229 388 P CA 0.130 62.516 63.100 -1.190 0.000 0.788 388 P CB 0.344 31.137 31.700 -1.510 0.000 1.072 389 T N -0.034 114.317 114.554 -0.339 0.000 2.607 389 T HA -0.143 4.207 4.350 -0.000 0.000 0.267 389 T C 1.780 176.412 174.700 -0.114 0.000 1.049 389 T CA 2.454 64.453 62.100 -0.169 0.000 1.162 389 T CB -1.204 67.609 68.868 -0.093 0.000 0.863 389 T HN 0.185 nan 8.240 nan 0.000 0.424 390 T N 2.254 116.748 114.554 -0.100 0.000 2.737 390 T HA -0.045 4.305 4.350 -0.000 0.000 0.265 390 T C -0.547 174.116 174.700 -0.060 0.000 1.038 390 T CA 1.193 63.258 62.100 -0.059 0.000 1.144 390 T CB -1.225 67.636 68.868 -0.012 0.000 0.866 390 T HN 0.336 nan 8.240 nan 0.000 0.434 391 P HA -0.015 nan 4.420 nan 0.000 0.216 391 P C 1.405 178.759 177.300 0.090 0.000 1.153 391 P CA 1.009 64.137 63.100 0.047 0.000 0.858 391 P CB -0.153 31.590 31.700 0.071 0.000 0.789 392 I N -1.664 118.907 120.570 0.002 0.000 2.353 392 I HA -0.187 3.983 4.170 -0.000 0.000 0.248 392 I C 2.033 178.186 176.117 0.060 0.000 1.119 392 I CA 1.415 62.735 61.300 0.034 0.000 1.417 392 I CB -0.969 37.006 38.000 -0.041 0.000 1.078 392 I HN -0.009 nan 8.210 nan 0.000 0.421 393 T N 0.618 115.195 114.554 0.039 0.000 2.746 393 T HA -0.151 4.199 4.350 -0.000 0.000 0.267 393 T C 2.022 176.795 174.700 0.121 0.000 1.039 393 T CA 1.299 63.443 62.100 0.073 0.000 1.142 393 T CB -0.196 68.689 68.868 0.028 0.000 0.866 393 T HN 0.304 nan 8.240 nan 0.000 0.444 394 R N 0.836 121.381 120.500 0.076 0.000 2.115 394 R HA 0.090 4.429 4.340 -0.000 0.000 0.230 394 R C 2.763 179.237 176.300 0.289 0.000 1.111 394 R CA 1.081 57.249 56.100 0.115 0.000 0.976 394 R CB -0.365 29.953 30.300 0.029 0.000 0.870 394 R HN 0.341 nan 8.270 nan 0.000 0.445 395 A N 1.319 124.328 122.820 0.315 0.000 1.898 395 A HA -0.081 4.239 4.320 -0.000 0.000 0.216 395 A C 2.365 180.183 177.584 0.390 0.000 1.181 395 A CA 1.585 53.916 52.037 0.490 0.000 0.620 395 A CB -0.536 18.769 19.000 0.508 0.000 0.819 395 A HN 0.372 nan 8.150 nan 0.000 0.442 396 A N -1.311 121.647 122.820 0.231 0.000 1.898 396 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 396 A C 2.102 179.847 177.584 0.269 0.000 1.181 396 A CA 1.372 53.514 52.037 0.176 0.000 0.620 396 A CB -0.848 18.228 19.000 0.127 0.000 0.819 396 A HN 0.834 nan 8.150 nan 0.000 0.442 397 W N 1.136 122.510 121.300 0.123 0.000 2.355 397 W HA -0.149 4.511 4.660 -0.000 0.000 0.309 397 W C 1.615 178.235 176.519 0.168 0.000 1.206 397 W CA 1.952 59.367 57.345 0.117 0.000 1.284 397 W CB -0.370 29.135 29.460 0.075 0.000 1.145 397 W HN 0.552 nan 8.180 nan 0.000 0.502 398 E N -0.636 119.893 120.200 0.548 0.000 2.338 398 E HA -0.135 4.215 4.350 -0.000 0.000 0.197 398 E C 1.950 178.838 176.600 0.480 0.000 1.007 398 E CA 1.475 58.180 56.400 0.509 0.000 0.849 398 E CB -0.156 29.861 29.700 0.528 0.000 0.774 398 E HN 0.115 nan 8.360 nan 0.000 0.506 399 T N 0.362 115.155 114.554 0.399 0.000 2.821 399 T HA -0.111 4.239 4.350 -0.000 0.000 0.267 399 T C 2.094 176.928 174.700 0.224 0.000 1.046 399 T CA 1.453 63.745 62.100 0.321 0.000 1.139 399 T CB 0.055 69.072 68.868 0.249 0.000 0.871 399 T HN 0.215 nan 8.240 nan 0.000 0.454 400 V N -2.223 117.754 119.914 0.106 0.000 3.263 400 V HA 0.406 4.526 4.120 -0.000 0.000 0.248 400 V C 0.634 176.670 176.094 -0.096 0.000 1.145 400 V CA 0.099 62.374 62.300 -0.042 0.000 1.107 400 V CB -0.051 31.700 31.823 -0.119 0.000 0.797 400 V HN 0.049 nan 8.190 nan 0.000 0.467 401 R N 1.126 121.608 120.500 -0.030 0.000 2.352 401 R HA 0.444 4.784 4.340 -0.000 0.000 0.304 401 R C -0.870 175.580 176.300 0.250 0.000 1.104 401 R CA -0.305 55.801 56.100 0.011 0.000 0.991 401 R CB 0.169 30.424 30.300 -0.074 0.000 1.140 401 R HN 0.651 nan 8.270 nan 0.000 0.540 402 H N 0.347 119.486 119.070 0.114 0.000 2.848 402 H HA 0.085 4.641 4.556 -0.000 0.000 0.341 402 H C 0.374 175.777 175.328 0.124 0.000 1.060 402 H CA 0.297 56.433 56.048 0.146 0.000 1.444 402 H CB 1.179 31.012 29.762 0.117 0.000 1.446 402 H HN 0.327 nan 8.280 nan 0.000 0.583 403 S N 2.857 118.710 115.700 0.254 0.000 2.501 403 S HA 0.189 4.658 4.470 -0.000 0.000 0.301 403 S C -1.676 172.963 174.600 0.064 0.000 1.096 403 S CA -1.717 56.566 58.200 0.139 0.000 1.063 403 S CB 1.219 64.503 63.200 0.140 0.000 1.042 403 S HN 0.448 nan 8.310 nan 0.000 0.494 404 P HA 0.017 nan 4.420 nan 0.000 0.221 404 P C -0.466 176.849 177.300 0.026 0.000 1.145 404 P CA 0.721 63.793 63.100 -0.047 0.000 0.795 404 P CB 0.002 31.563 31.700 -0.232 0.000 0.775 405 V N 0.775 120.693 119.914 0.007 0.000 2.444 405 V HA 0.254 4.373 4.120 -0.000 0.000 0.294 405 V C -0.119 175.949 176.094 -0.043 0.000 1.022 405 V CA -0.876 61.414 62.300 -0.017 0.000 0.850 405 V CB 1.712 33.520 31.823 -0.025 0.000 0.992 405 V HN -0.043 nan 8.190 nan 0.000 0.426 406 N N 2.998 121.616 118.700 -0.137 0.000 2.558 406 N HA 0.084 4.824 4.740 -0.000 0.000 0.233 406 N C 1.356 176.608 175.510 -0.430 0.000 1.038 406 N CA 0.134 52.975 53.050 -0.349 0.000 0.934 406 N CB 1.750 39.760 38.487 -0.796 0.000 1.175 406 N HN 0.848 nan 8.380 nan 0.000 0.512 407 S N 1.847 117.458 115.700 -0.148 0.000 2.419 407 S HA -0.110 4.360 4.470 -0.000 0.000 0.233 407 S C 1.733 176.300 174.600 -0.056 0.000 1.016 407 S CA 0.211 58.383 58.200 -0.047 0.000 0.974 407 S CB -0.348 62.880 63.200 0.047 0.000 0.786 407 S HN 0.783 nan 8.310 nan 0.000 0.492 408 W N 0.832 122.079 121.300 -0.088 0.000 2.425 408 W HA 0.112 4.771 4.660 -0.000 0.000 0.277 408 W C 1.598 178.001 176.519 -0.194 0.000 1.231 408 W CA 0.137 57.389 57.345 -0.154 0.000 1.248 408 W CB -0.958 28.190 29.460 -0.520 0.000 1.117 408 W HN 0.342 nan 8.180 nan 0.000 0.568 409 L N 2.813 123.431 121.223 -1.008 0.000 2.072 409 L HA 0.184 4.524 4.340 -0.000 0.000 0.205 409 L C 2.611 179.117 176.870 -0.606 0.000 1.079 409 L CA 2.598 56.886 54.840 -0.920 0.000 0.752 409 L CB -1.334 39.945 42.059 -1.300 0.000 0.906 409 L HN 0.027 nan 8.230 nan 0.000 0.436 410 G N -0.635 107.926 108.800 -0.399 0.000 2.422 410 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.218 410 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.218 410 G C 1.465 176.359 174.900 -0.010 0.000 1.146 410 G CA 0.750 45.767 45.100 -0.139 0.000 0.769 410 G HN 0.434 nan 8.290 nan 0.000 0.547 411 N N 0.608 119.362 118.700 0.091 0.000 2.142 411 N HA -0.018 4.722 4.740 -0.000 0.000 0.186 411 N C 2.265 177.863 175.510 0.148 0.000 1.023 411 N CA 0.664 53.881 53.050 0.278 0.000 0.852 411 N CB -0.181 38.555 38.487 0.415 0.000 0.998 411 N HN 0.333 nan 8.380 nan 0.000 0.424 412 I N 0.959 121.565 120.570 0.060 0.000 2.208 412 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 412 I C 2.028 178.135 176.117 -0.016 0.000 1.097 412 I CA 1.036 62.354 61.300 0.030 0.000 1.363 412 I CB -0.151 37.908 38.000 0.099 0.000 1.051 412 I HN 0.045 nan 8.210 nan 0.000 0.413 413 I N -0.072 120.459 120.570 -0.064 0.000 2.286 413 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 413 I C 2.560 178.755 176.117 0.129 0.000 1.104 413 I CA 1.315 62.623 61.300 0.013 0.000 1.397 413 I CB -0.281 37.637 38.000 -0.137 0.000 1.072 413 I HN 0.262 nan 8.210 nan 0.000 0.417 414 Q N -0.442 119.364 119.800 0.009 0.000 2.172 414 Q HA -0.120 4.220 4.340 -0.000 0.000 0.200 414 Q C 0.604 176.402 176.000 -0.337 0.000 0.964 414 Q CA 1.224 56.944 55.803 -0.138 0.000 0.855 414 Q CB 0.270 28.703 28.738 -0.509 0.000 0.918 414 Q HN 0.519 nan 8.270 nan 0.000 0.444 415 Y N -1.602 118.683 120.300 -0.025 0.000 2.716 415 Y HA 0.370 4.920 4.550 -0.000 0.000 0.260 415 Y C 1.245 176.879 175.900 -0.444 0.000 1.141 415 Y CA -0.337 57.636 58.100 -0.212 0.000 1.168 415 Y CB -0.048 38.255 38.460 -0.261 0.000 1.189 415 Y HN 0.039 nan 8.280 nan 0.000 0.549 416 A N 1.052 123.649 122.820 -0.371 0.000 1.948 416 A HA -0.148 4.171 4.320 -0.000 0.000 0.220 416 A C -0.423 176.896 177.584 -0.443 0.000 1.177 416 A CA 1.674 53.485 52.037 -0.377 0.000 0.636 416 A CB -1.353 17.449 19.000 -0.331 0.000 0.815 416 A HN 0.245 nan 8.150 nan 0.000 0.449 417 P HA 0.039 nan 4.420 nan 0.000 0.241 417 P C 0.605 177.582 177.300 -0.538 0.000 1.191 417 P CA 1.101 63.896 63.100 -0.508 0.000 0.771 417 P CB -0.488 30.901 31.700 -0.519 0.000 0.929 418 T N -3.006 111.249 114.554 -0.499 0.000 2.868 418 T HA 0.198 4.548 4.350 -0.000 0.000 0.292 418 T C 1.232 175.545 174.700 -0.645 0.000 1.028 418 T CA -0.605 61.172 62.100 -0.539 0.000 1.059 418 T CB 0.684 69.093 68.868 -0.766 0.000 0.991 418 T HN -0.127 nan 8.240 nan 0.000 0.531 419 I N 1.157 121.274 120.570 -0.755 0.000 2.439 419 I HA -0.017 4.153 4.170 -0.000 0.000 0.251 419 I C 1.996 177.832 176.117 -0.469 0.000 1.139 419 I CA 0.910 61.778 61.300 -0.719 0.000 1.438 419 I CB -0.109 37.338 38.000 -0.922 0.000 1.085 419 I HN 0.857 nan 8.210 nan 0.000 0.427 420 W N -0.439 120.648 121.300 -0.354 0.000 2.476 420 W HA 0.034 4.694 4.660 -0.000 0.000 0.281 420 W C 1.846 178.221 176.519 -0.240 0.000 1.230 420 W CA 0.416 57.584 57.345 -0.294 0.000 1.287 420 W CB -1.497 27.825 29.460 -0.230 0.000 1.108 420 W HN -0.090 nan 8.180 nan 0.000 0.567 421 V N 2.423 121.904 119.914 -0.721 0.000 2.358 421 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 421 V C 2.846 178.783 176.094 -0.261 0.000 1.047 421 V CA 2.212 64.231 62.300 -0.469 0.000 1.035 421 V CB -0.763 30.695 31.823 -0.608 0.000 0.658 421 V HN 0.073 nan 8.190 nan 0.000 0.452 422 R N -0.827 119.446 120.500 -0.378 0.000 2.075 422 R HA -0.025 4.315 4.340 -0.000 0.000 0.232 422 R C 2.253 178.346 176.300 -0.345 0.000 1.126 422 R CA 1.547 57.428 56.100 -0.364 0.000 0.963 422 R CB -0.232 29.731 30.300 -0.563 0.000 0.858 422 R HN 0.432 nan 8.270 nan 0.000 0.435 423 M N -0.717 118.579 119.600 -0.506 0.000 2.447 423 M HA -0.020 4.460 4.480 -0.000 0.000 0.266 423 M C 1.852 178.045 176.300 -0.179 0.000 1.120 423 M CA 0.886 55.936 55.300 -0.417 0.000 1.166 423 M CB 0.563 32.841 32.600 -0.536 0.000 1.349 423 M HN -0.025 nan 8.290 nan 0.000 0.463 424 V N -0.217 119.446 119.914 -0.419 0.000 2.602 424 V HA -0.040 4.080 4.120 -0.000 0.000 0.235 424 V C 2.183 178.034 176.094 -0.404 0.000 1.087 424 V CA 0.580 62.339 62.300 -0.902 0.000 1.117 424 V CB -0.190 31.070 31.823 -0.939 0.000 0.820 424 V HN 0.233 nan 8.190 nan 0.000 0.490 425 I N 0.026 120.550 120.570 -0.076 0.000 2.142 425 I HA -0.237 3.933 4.170 -0.000 0.000 0.240 425 I C 2.503 178.851 176.117 0.385 0.000 1.078 425 I CA 2.034 63.464 61.300 0.217 0.000 1.343 425 I CB -0.986 37.211 38.000 0.329 0.000 1.046 425 I HN 0.296 nan 8.210 nan 0.000 0.405 426 M N 0.127 119.939 119.600 0.353 0.000 2.086 426 M HA -0.195 4.285 4.480 -0.000 0.000 0.261 426 M C 2.315 179.059 176.300 0.739 0.000 1.067 426 M CA 2.045 57.684 55.300 0.565 0.000 1.116 426 M CB -0.658 32.143 32.600 0.335 0.000 1.348 426 M HN 0.229 nan 8.290 nan 0.000 0.407 427 T N -1.283 113.665 114.554 0.656 0.000 2.684 427 T HA -0.241 4.109 4.350 -0.000 0.000 0.267 427 T C 1.628 176.597 174.700 0.450 0.000 1.036 427 T CA 1.987 64.478 62.100 0.651 0.000 1.148 427 T CB -0.564 68.729 68.868 0.708 0.000 0.863 427 T HN 0.480 nan 8.240 nan 0.000 0.436 428 H N 0.369 119.569 119.070 0.218 0.000 2.321 428 H HA -0.030 4.526 4.556 -0.000 0.000 0.300 428 H C 1.755 176.927 175.328 -0.260 0.000 1.087 428 H CA 1.641 57.677 56.048 -0.020 0.000 1.319 428 H CB -0.493 29.117 29.762 -0.253 0.000 1.379 428 H HN 0.369 nan 8.280 nan 0.000 0.501 429 F N -1.172 118.728 119.950 -0.083 0.000 2.293 429 F HA 0.019 4.546 4.527 -0.000 0.000 0.297 429 F C 1.949 177.577 175.800 -0.287 0.000 1.089 429 F CA 0.450 58.198 58.000 -0.421 0.000 1.377 429 F CB -0.532 37.964 39.000 -0.840 0.000 1.051 429 F HN 0.135 nan 8.300 nan 0.000 0.511 430 F N -0.507 119.545 119.950 0.170 0.000 2.171 430 F HA -0.201 4.326 4.527 -0.000 0.000 0.300 430 F C 2.738 178.557 175.800 0.031 0.000 1.090 430 F CA 1.547 59.641 58.000 0.156 0.000 1.293 430 F CB -0.932 38.240 39.000 0.287 0.000 1.013 430 F HN -0.119 nan 8.300 nan 0.000 0.486 431 S N 0.289 116.059 115.700 0.116 0.000 2.368 431 S HA -0.167 4.302 4.470 -0.000 0.000 0.225 431 S C 2.144 176.707 174.600 -0.062 0.000 1.030 431 S CA 1.340 59.542 58.200 0.003 0.000 0.999 431 S CB -0.441 62.746 63.200 -0.022 0.000 0.844 431 S HN 0.297 nan 8.310 nan 0.000 0.459 432 I N 1.294 121.764 120.570 -0.165 0.000 2.179 432 I HA -0.197 3.973 4.170 -0.000 0.000 0.242 432 I C 2.154 178.231 176.117 -0.067 0.000 1.088 432 I CA 1.087 62.290 61.300 -0.162 0.000 1.357 432 I CB -0.387 37.446 38.000 -0.277 0.000 1.051 432 I HN 0.302 nan 8.210 nan 0.000 0.409 433 L N 0.127 121.313 121.223 -0.063 0.000 2.046 433 L HA -0.237 4.103 4.340 -0.000 0.000 0.208 433 L C 2.568 179.451 176.870 0.021 0.000 1.077 433 L CA 1.376 56.203 54.840 -0.022 0.000 0.747 433 L CB -0.636 41.378 42.059 -0.074 0.000 0.896 433 L HN 0.259 nan 8.230 nan 0.000 0.432 434 L N -0.254 120.993 121.223 0.041 0.000 2.042 434 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 434 L C 2.899 179.782 176.870 0.022 0.000 1.076 434 L CA 1.328 56.196 54.840 0.047 0.000 0.749 434 L CB -0.736 41.355 42.059 0.052 0.000 0.893 434 L HN 0.258 nan 8.230 nan 0.000 0.432 435 A N -0.586 122.237 122.820 0.004 0.000 1.902 435 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 435 A C 2.178 179.768 177.584 0.009 0.000 1.181 435 A CA 1.560 53.595 52.037 -0.003 0.000 0.623 435 A CB -0.441 18.547 19.000 -0.020 0.000 0.818 435 A HN 0.505 nan 8.150 nan 0.000 0.443 436 Q N -1.752 118.058 119.800 0.017 0.000 2.435 436 Q HA 0.008 4.348 4.340 -0.000 0.000 0.207 436 Q C -0.059 175.962 176.000 0.035 0.000 0.956 436 Q CA 0.481 56.303 55.803 0.032 0.000 0.917 436 Q CB 0.069 28.838 28.738 0.050 0.000 0.997 436 Q HN 0.676 nan 8.270 nan 0.000 0.497 437 D N 0.119 120.539 120.400 0.033 0.000 2.723 437 D HA -0.142 4.498 4.640 -0.000 0.000 0.236 437 D C -0.257 176.070 176.300 0.045 0.000 1.138 437 D CA 1.294 55.317 54.000 0.038 0.000 0.676 437 D CB -0.941 39.879 40.800 0.032 0.000 1.069 437 D HN 0.421 nan 8.370 nan 0.000 0.430 438 T N -3.457 111.126 114.554 0.048 0.000 3.266 438 T HA 0.222 4.572 4.350 -0.000 0.000 0.278 438 T C 1.569 176.302 174.700 0.055 0.000 1.010 438 T CA -0.576 61.556 62.100 0.054 0.000 0.909 438 T CB 0.189 69.093 68.868 0.060 0.000 1.122 438 T HN 0.060 nan 8.240 nan 0.000 0.536 439 L N 1.993 123.253 121.223 0.061 0.000 2.081 439 L HA 0.114 4.454 4.340 -0.000 0.000 0.212 439 L C 1.448 178.366 176.870 0.080 0.000 1.080 439 L CA 1.505 56.390 54.840 0.075 0.000 0.754 439 L CB -1.083 41.046 42.059 0.117 0.000 0.893 439 L HN 0.417 nan 8.230 nan 0.000 0.433 440 N N 0.492 119.236 118.700 0.073 0.000 3.131 440 N HA 0.097 4.837 4.740 -0.000 0.000 0.312 440 N C -0.847 174.701 175.510 0.064 0.000 1.433 440 N CA 0.061 53.153 53.050 0.070 0.000 1.141 440 N CB 0.040 38.564 38.487 0.062 0.000 1.431 440 N HN 0.258 nan 8.380 nan 0.000 0.523 441 Q N 0.603 120.442 119.800 0.066 0.000 2.285 441 Q HA 0.274 4.614 4.340 -0.000 0.000 0.269 441 Q C -1.075 174.966 176.000 0.068 0.000 1.030 441 Q CA -0.785 55.057 55.803 0.064 0.000 0.788 441 Q CB 1.556 30.332 28.738 0.064 0.000 1.266 441 Q HN 0.293 nan 8.270 nan 0.000 0.438 442 N N 1.723 120.465 118.700 0.070 0.000 2.492 442 N HA 0.271 5.011 4.740 -0.000 0.000 0.262 442 N C -0.877 174.676 175.510 0.072 0.000 1.202 442 N CA 0.522 53.619 53.050 0.078 0.000 0.926 442 N CB 0.550 39.089 38.487 0.088 0.000 1.078 442 N HN 0.331 nan 8.380 nan 0.000 0.454 443 L N 1.790 123.052 121.223 0.066 0.000 2.370 443 L HA 0.476 4.815 4.340 -0.000 0.000 0.266 443 L C -0.372 176.542 176.870 0.073 0.000 1.002 443 L CA -1.132 53.731 54.840 0.040 0.000 0.818 443 L CB 1.684 43.718 42.059 -0.040 0.000 1.325 443 L HN 0.438 nan 8.230 nan 0.000 0.418 444 N N 2.168 120.900 118.700 0.054 0.000 2.518 444 N HA 0.595 5.334 4.740 -0.000 0.000 0.283 444 N C -0.932 174.587 175.510 0.016 0.000 1.119 444 N CA -0.070 53.002 53.050 0.035 0.000 0.983 444 N CB 1.386 39.905 38.487 0.052 0.000 1.139 444 N HN 0.409 nan 8.380 nan 0.000 0.465 445 F N -1.982 117.871 119.950 -0.162 0.000 2.662 445 F HA 0.556 5.083 4.527 -0.000 0.000 0.312 445 F C -0.419 175.299 175.800 -0.137 0.000 1.113 445 F CA -1.166 56.709 58.000 -0.209 0.000 0.951 445 F CB 1.312 40.126 39.000 -0.310 0.000 1.344 445 F HN 0.164 nan 8.300 nan 0.000 0.462 446 E N 1.986 122.147 120.200 -0.065 0.000 2.174 446 E HA 0.469 4.819 4.350 -0.000 0.000 0.282 446 E C -1.344 175.316 176.600 0.099 0.000 0.992 446 E CA -0.815 55.540 56.400 -0.075 0.000 0.803 446 E CB 1.750 31.439 29.700 -0.018 0.000 1.090 446 E HN 0.616 nan 8.360 nan 0.000 0.396 447 M N 3.622 123.279 119.600 0.095 0.000 2.204 447 M HA 0.224 4.704 4.480 -0.000 0.000 0.293 447 M C -1.642 174.895 176.300 0.395 0.000 0.994 447 M CA -0.469 54.999 55.300 0.281 0.000 0.925 447 M CB 0.767 33.432 32.600 0.108 0.000 1.577 447 M HN 0.475 nan 8.290 nan 0.000 0.439 448 Y N 3.464 123.852 120.300 0.146 0.000 3.001 448 Y HA -0.066 4.484 4.550 -0.000 0.000 0.199 448 Y C 1.263 177.105 175.900 -0.097 0.000 1.320 448 Y CA 1.531 59.677 58.100 0.077 0.000 0.974 448 Y CB -2.065 36.492 38.460 0.162 0.000 1.291 448 Y HN 1.165 nan 8.280 nan 0.000 0.465 449 G N -1.467 107.362 108.800 0.047 0.000 2.179 449 G HA2 0.104 4.064 3.960 -0.000 0.000 0.257 449 G HA3 0.104 4.064 3.960 -0.000 0.000 0.257 449 G C 0.262 175.124 174.900 -0.063 0.000 1.010 449 G CA 0.430 45.498 45.100 -0.053 0.000 0.736 449 G HN 1.709 nan 8.290 nan 0.000 0.513 450 A N -1.696 121.080 122.820 -0.073 0.000 2.566 450 A HA 0.893 5.213 4.320 -0.000 0.000 0.292 450 A C -0.592 176.708 177.584 -0.472 0.000 1.112 450 A CA -0.144 51.743 52.037 -0.250 0.000 0.707 450 A CB 1.960 20.820 19.000 -0.233 0.000 1.302 450 A HN 1.228 nan 8.150 nan 0.000 0.409 451 V N 0.994 120.521 119.914 -0.644 0.000 2.513 451 V HA 0.598 4.718 4.120 -0.000 0.000 0.299 451 V C -1.066 174.383 176.094 -1.075 0.000 1.035 451 V CA -0.190 61.742 62.300 -0.614 0.000 0.889 451 V CB 0.921 32.628 31.823 -0.194 0.000 0.988 451 V HN 0.784 nan 8.190 nan 0.000 0.440 452 Y N 1.295 121.090 120.300 -0.842 0.000 2.662 452 Y HA 0.678 5.228 4.550 -0.000 0.000 0.335 452 Y C 0.345 175.858 175.900 -0.645 0.000 1.066 452 Y CA -0.921 56.630 58.100 -0.915 0.000 1.116 452 Y CB 2.152 39.820 38.460 -1.319 0.000 1.308 452 Y HN 0.502 nan 8.280 nan 0.000 0.502 453 S N 0.719 116.331 115.700 -0.145 0.000 2.561 453 S HA 0.827 5.297 4.470 -0.000 0.000 0.303 453 S C -1.752 172.968 174.600 0.201 0.000 1.110 453 S CA -0.412 57.829 58.200 0.068 0.000 1.034 453 S CB 0.689 63.944 63.200 0.091 0.000 1.010 453 S HN 0.448 nan 8.310 nan 0.000 0.482 454 V N 4.783 124.844 119.914 0.246 0.000 2.925 454 V HA 0.530 4.649 4.120 -0.000 0.000 0.311 454 V C -0.583 175.586 176.094 0.126 0.000 1.104 454 V CA -1.078 61.353 62.300 0.218 0.000 0.954 454 V CB 2.307 34.255 31.823 0.208 0.000 1.022 454 V HN 0.903 nan 8.190 nan 0.000 0.427 455 N N 4.127 122.899 118.700 0.119 0.000 2.422 455 N HA 0.325 5.065 4.740 -0.000 0.000 0.266 455 N C -1.988 173.581 175.510 0.099 0.000 1.007 455 N CA -1.740 51.368 53.050 0.096 0.000 0.941 455 N CB 2.337 40.881 38.487 0.094 0.000 1.115 455 N HN 0.243 nan 8.380 nan 0.000 0.492 456 P HA -0.116 nan 4.420 nan 0.000 0.217 456 P C 1.420 178.851 177.300 0.217 0.000 1.148 456 P CA 1.064 64.230 63.100 0.109 0.000 0.834 456 P CB 0.336 32.043 31.700 0.012 0.000 0.783 457 L N -0.883 120.450 121.223 0.182 0.000 2.265 457 L HA -0.130 4.210 4.340 -0.000 0.000 0.215 457 L C 1.211 178.161 176.870 0.133 0.000 1.117 457 L CA 1.183 56.132 54.840 0.181 0.000 0.782 457 L CB -0.673 41.463 42.059 0.129 0.000 0.914 457 L HN -0.003 nan 8.230 nan 0.000 0.441 458 D N -0.371 120.103 120.400 0.123 0.000 2.340 458 D HA 0.024 4.663 4.640 -0.000 0.000 0.220 458 D C 2.205 178.576 176.300 0.120 0.000 1.039 458 D CA 0.268 54.326 54.000 0.097 0.000 0.866 458 D CB 0.315 41.170 40.800 0.091 0.000 0.913 458 D HN 0.300 nan 8.370 nan 0.000 0.523 459 L N 0.964 122.289 121.223 0.170 0.000 2.042 459 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 459 L C -0.420 176.562 176.870 0.186 0.000 1.076 459 L CA 1.520 56.478 54.840 0.197 0.000 0.749 459 L CB -1.527 40.700 42.059 0.279 0.000 0.893 459 L HN 0.040 nan 8.230 nan 0.000 0.432 460 P HA -0.184 nan 4.420 nan 0.000 0.215 460 P C 1.408 178.796 177.300 0.148 0.000 1.153 460 P CA 1.841 65.002 63.100 0.103 0.000 0.853 460 P CB -0.003 31.579 31.700 -0.197 0.000 0.788 461 A N -1.036 121.811 122.820 0.045 0.000 1.929 461 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 461 A C 2.182 179.803 177.584 0.061 0.000 1.176 461 A CA 1.160 53.218 52.037 0.035 0.000 0.628 461 A CB -1.559 17.434 19.000 -0.013 0.000 0.816 461 A HN 0.090 nan 8.150 nan 0.000 0.444 462 I N -0.117 120.503 120.570 0.083 0.000 2.127 462 I HA -0.292 3.878 4.170 -0.000 0.000 0.241 462 I C 2.300 178.483 176.117 0.109 0.000 1.075 462 I CA 1.541 62.889 61.300 0.080 0.000 1.334 462 I CB -0.343 37.757 38.000 0.167 0.000 1.040 462 I HN 0.301 nan 8.210 nan 0.000 0.405 463 I N 0.312 120.994 120.570 0.187 0.000 2.208 463 I HA -0.321 3.849 4.170 -0.000 0.000 0.245 463 I C 2.630 178.807 176.117 0.099 0.000 1.097 463 I CA 1.582 63.004 61.300 0.204 0.000 1.363 463 I CB -0.468 37.665 38.000 0.221 0.000 1.051 463 I HN 0.325 nan 8.210 nan 0.000 0.413 464 E N 0.993 121.284 120.200 0.151 0.000 2.077 464 E HA -0.298 4.052 4.350 -0.000 0.000 0.193 464 E C 2.296 178.911 176.600 0.025 0.000 0.989 464 E CA 1.183 57.645 56.400 0.104 0.000 0.800 464 E CB 0.062 29.901 29.700 0.231 0.000 0.746 464 E HN 0.178 nan 8.360 nan 0.000 0.452 465 R N 0.731 121.235 120.500 0.005 0.000 2.066 465 R HA -0.068 4.272 4.340 -0.000 0.000 0.232 465 R C 2.250 178.489 176.300 -0.101 0.000 1.131 465 R CA 1.459 57.529 56.100 -0.050 0.000 0.955 465 R CB -0.660 29.590 30.300 -0.084 0.000 0.851 465 R HN 0.257 nan 8.270 nan 0.000 0.432 466 L N -0.967 120.165 121.223 -0.151 0.000 2.179 466 L HA -0.052 4.288 4.340 -0.000 0.000 0.208 466 L C 1.593 178.159 176.870 -0.507 0.000 1.096 466 L CA 1.023 55.651 54.840 -0.353 0.000 0.779 466 L CB -0.248 41.507 42.059 -0.506 0.000 0.922 466 L HN 0.370 nan 8.230 nan 0.000 0.443 467 H N -1.311 117.718 119.070 -0.069 0.000 3.360 467 H HA 0.314 4.870 4.556 -0.000 0.000 0.262 467 H C 0.898 176.152 175.328 -0.124 0.000 1.149 467 H CA 0.668 56.657 56.048 -0.098 0.000 1.181 467 H CB 0.960 30.637 29.762 -0.142 0.000 1.564 467 H HN 0.251 nan 8.280 nan 0.000 0.565 468 G N 1.167 109.953 108.800 -0.023 0.000 2.781 468 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.683 468 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.683 468 G C 0.739 175.579 174.900 -0.100 0.000 1.390 468 G CA -0.124 44.956 45.100 -0.033 0.000 0.850 468 G HN 0.235 nan 8.290 nan 0.000 0.557 469 L N 0.845 122.072 121.223 0.007 0.000 2.191 469 L HA -0.098 4.242 4.340 -0.000 0.000 0.212 469 L C 3.036 179.894 176.870 -0.021 0.000 1.103 469 L CA 2.119 57.018 54.840 0.098 0.000 0.769 469 L CB -0.345 41.836 42.059 0.203 0.000 0.908 469 L HN 0.890 nan 8.230 nan 0.000 0.438 470 E N 0.688 120.852 120.200 -0.061 0.000 2.219 470 E HA -0.270 4.080 4.350 -0.000 0.000 0.198 470 E C 1.986 178.472 176.600 -0.190 0.000 0.998 470 E CA 1.448 57.795 56.400 -0.089 0.000 0.818 470 E CB -0.371 29.282 29.700 -0.078 0.000 0.741 470 E HN 0.483 nan 8.360 nan 0.000 0.477 471 A N 0.833 123.444 122.820 -0.348 0.000 2.070 471 A HA -0.083 4.237 4.320 -0.000 0.000 0.220 471 A C 1.489 178.817 177.584 -0.427 0.000 1.159 471 A CA 0.942 52.697 52.037 -0.471 0.000 0.656 471 A CB -0.703 17.934 19.000 -0.606 0.000 0.800 471 A HN 0.234 nan 8.150 nan 0.000 0.453 472 F N -0.174 119.777 119.950 0.002 0.000 2.765 472 F HA 0.150 4.677 4.527 -0.000 0.000 0.302 472 F C 1.835 177.656 175.800 0.035 0.000 1.111 472 F CA 0.520 58.538 58.000 0.029 0.000 1.359 472 F CB 0.027 39.059 39.000 0.052 0.000 1.097 472 F HN 0.274 nan 8.300 nan 0.000 0.577 473 S N -1.310 114.460 115.700 0.117 0.000 2.960 473 S HA 0.292 4.762 4.470 -0.000 0.000 0.256 473 S C -0.017 174.607 174.600 0.039 0.000 1.017 473 S CA -0.387 57.878 58.200 0.109 0.000 1.144 473 S CB -0.617 62.643 63.200 0.101 0.000 1.109 473 S HN 0.061 nan 8.310 nan 0.000 0.638 474 L N 3.286 124.443 121.223 -0.109 0.000 2.456 474 L HA 0.440 4.780 4.340 -0.000 0.000 0.272 474 L C 0.529 177.217 176.870 -0.303 0.000 1.189 474 L CA 0.055 54.687 54.840 -0.346 0.000 0.846 474 L CB 0.040 41.732 42.059 -0.611 0.000 1.111 474 L HN 0.675 nan 8.230 nan 0.000 0.475 475 H N -1.759 117.060 119.070 -0.419 0.000 2.990 475 H HA 0.349 4.905 4.556 -0.000 0.000 0.336 475 H C -0.391 174.757 175.328 -0.299 0.000 1.306 475 H CA -0.764 55.126 56.048 -0.263 0.000 1.118 475 H CB 1.174 30.897 29.762 -0.066 0.000 1.856 475 H HN 0.422 nan 8.280 nan 0.000 0.538 476 T N 0.321 114.880 114.554 0.008 0.000 3.967 476 T HA -0.233 4.117 4.350 -0.000 0.000 0.366 476 T C -0.511 174.149 174.700 -0.067 0.000 0.759 476 T CA 0.808 62.914 62.100 0.011 0.000 1.971 476 T CB -2.602 66.262 68.868 -0.008 0.000 1.806 476 T HN 0.537 nan 8.240 nan 0.000 0.825 477 Y N 1.493 121.806 120.300 0.023 0.000 2.385 477 Y HA 0.304 4.854 4.550 -0.000 0.000 0.346 477 Y C 1.521 177.462 175.900 0.068 0.000 1.270 477 Y CA 0.258 58.397 58.100 0.064 0.000 1.472 477 Y CB 0.447 38.953 38.460 0.077 0.000 1.354 477 Y HN 0.495 nan 8.280 nan 0.000 0.611 478 S N 2.444 118.306 115.700 0.269 0.000 2.585 478 S HA 0.133 4.603 4.470 -0.000 0.000 0.273 478 S C -1.765 172.930 174.600 0.159 0.000 1.339 478 S CA -1.125 57.175 58.200 0.167 0.000 1.028 478 S CB 1.213 64.496 63.200 0.139 0.000 0.906 478 S HN 0.521 nan 8.310 nan 0.000 0.528 479 P HA -0.174 nan 4.420 nan 0.000 0.219 479 P C 1.380 178.741 177.300 0.101 0.000 1.150 479 P CA 1.268 64.427 63.100 0.099 0.000 0.814 479 P CB -0.311 31.438 31.700 0.082 0.000 0.787 480 H N 0.763 119.855 119.070 0.037 0.000 2.319 480 H HA -0.173 4.383 4.556 -0.000 0.000 0.299 480 H C 1.978 177.322 175.328 0.026 0.000 1.092 480 H CA 2.155 58.216 56.048 0.022 0.000 1.302 480 H CB -0.006 29.761 29.762 0.008 0.000 1.373 480 H HN 0.022 nan 8.280 nan 0.000 0.497 481 E N 0.738 121.021 120.200 0.137 0.000 2.047 481 E HA -0.084 4.266 4.350 -0.000 0.000 0.191 481 E C 2.770 179.377 176.600 0.011 0.000 0.987 481 E CA 1.054 57.512 56.400 0.097 0.000 0.799 481 E CB -0.430 29.405 29.700 0.225 0.000 0.752 481 E HN 0.509 nan 8.360 nan 0.000 0.449 482 L N 0.098 121.343 121.223 0.035 0.000 2.083 482 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 482 L C 2.518 179.371 176.870 -0.028 0.000 1.083 482 L CA 1.218 56.060 54.840 0.003 0.000 0.752 482 L CB -0.424 41.662 42.059 0.044 0.000 0.899 482 L HN 0.106 nan 8.230 nan 0.000 0.433 483 S N -0.512 115.160 115.700 -0.046 0.000 2.368 483 S HA -0.200 4.270 4.470 -0.000 0.000 0.225 483 S C 2.084 176.617 174.600 -0.112 0.000 1.030 483 S CA 1.281 59.439 58.200 -0.070 0.000 0.999 483 S CB -0.213 62.937 63.200 -0.083 0.000 0.844 483 S HN 0.338 nan 8.310 nan 0.000 0.459 484 R N 0.760 121.153 120.500 -0.178 0.000 2.075 484 R HA -0.049 4.291 4.340 -0.000 0.000 0.232 484 R C 2.077 178.283 176.300 -0.157 0.000 1.126 484 R CA 1.235 57.216 56.100 -0.199 0.000 0.963 484 R CB -0.370 29.762 30.300 -0.281 0.000 0.858 484 R HN 0.238 nan 8.270 nan 0.000 0.435 485 V N 1.043 120.880 119.914 -0.129 0.000 2.295 485 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 485 V C 2.469 178.521 176.094 -0.070 0.000 1.049 485 V CA 1.943 64.175 62.300 -0.112 0.000 1.024 485 V CB -0.775 31.013 31.823 -0.057 0.000 0.648 485 V HN 0.547 nan 8.190 nan 0.000 0.447 486 A N 0.094 122.887 122.820 -0.045 0.000 1.908 486 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 486 A C 2.429 180.004 177.584 -0.016 0.000 1.181 486 A CA 2.236 54.263 52.037 -0.016 0.000 0.627 486 A CB -0.849 18.148 19.000 -0.005 0.000 0.818 486 A HN 0.591 nan 8.150 nan 0.000 0.445 487 A N -1.216 121.582 122.820 -0.037 0.000 1.933 487 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 487 A C 2.293 179.862 177.584 -0.026 0.000 1.175 487 A CA 2.293 54.313 52.037 -0.029 0.000 0.628 487 A CB -1.144 17.826 19.000 -0.050 0.000 0.814 487 A HN 0.443 nan 8.150 nan 0.000 0.444 488 T N 0.461 114.979 114.554 -0.059 0.000 2.737 488 T HA -0.042 4.308 4.350 -0.000 0.000 0.265 488 T C 1.811 176.498 174.700 -0.022 0.000 1.038 488 T CA 1.359 63.422 62.100 -0.063 0.000 1.144 488 T CB -0.376 68.405 68.868 -0.146 0.000 0.866 488 T HN 0.379 nan 8.240 nan 0.000 0.434 489 L N 0.796 122.010 121.223 -0.014 0.000 2.079 489 L HA -0.113 4.227 4.340 -0.000 0.000 0.210 489 L C 2.820 179.705 176.870 0.025 0.000 1.081 489 L CA 1.476 56.330 54.840 0.022 0.000 0.752 489 L CB -0.546 41.548 42.059 0.059 0.000 0.896 489 L HN 0.219 nan 8.230 nan 0.000 0.433 490 R N 0.971 121.495 120.500 0.041 0.000 2.073 490 R HA -0.178 4.162 4.340 -0.000 0.000 0.229 490 R C 2.340 178.735 176.300 0.158 0.000 1.120 490 R CA 1.410 57.559 56.100 0.081 0.000 0.967 490 R CB -0.100 30.244 30.300 0.073 0.000 0.862 490 R HN 0.185 nan 8.270 nan 0.000 0.436 491 K N 0.582 121.057 120.400 0.126 0.000 2.057 491 K HA -0.096 4.224 4.320 -0.000 0.000 0.207 491 K C 1.768 178.545 176.600 0.296 0.000 1.049 491 K CA 1.424 57.817 56.287 0.177 0.000 0.931 491 K CB -0.002 32.551 32.500 0.090 0.000 0.714 491 K HN 0.279 nan 8.250 nan 0.000 0.440 492 L N -0.356 120.959 121.223 0.152 0.000 2.567 492 L HA 0.165 4.505 4.340 -0.000 0.000 0.225 492 L C 0.862 177.626 176.870 -0.177 0.000 1.119 492 L CA 0.363 55.266 54.840 0.106 0.000 0.871 492 L CB 0.195 42.278 42.059 0.039 0.000 1.036 492 L HN 0.552 nan 8.230 nan 0.000 0.459 493 G N 1.125 109.670 108.800 -0.424 0.000 2.246 493 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.273 493 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.273 493 G C 0.313 174.955 174.900 -0.430 0.000 1.055 493 G CA 0.224 44.756 45.100 -0.947 0.000 0.851 493 G HN 0.485 nan 8.290 nan 0.000 0.500 494 A N -0.040 122.686 122.820 -0.157 0.000 2.304 494 A HA 0.841 5.161 4.320 -0.000 0.000 0.271 494 A C -1.291 176.314 177.584 0.033 0.000 1.091 494 A CA -1.131 50.916 52.037 0.015 0.000 0.812 494 A CB 0.545 19.638 19.000 0.154 0.000 1.056 494 A HN 0.234 nan 8.150 nan 0.000 0.489 495 P HA 0.213 nan 4.420 nan 0.000 0.269 495 P C -2.482 174.884 177.300 0.109 0.000 1.215 495 P CA -0.845 62.204 63.100 -0.086 0.000 0.780 495 P CB -0.193 31.220 31.700 -0.479 0.000 0.898 496 P HA 0.080 nan 4.420 nan 0.000 0.272 496 P C 1.008 178.463 177.300 0.258 0.000 1.230 496 P CA -0.083 63.099 63.100 0.137 0.000 0.788 496 P CB 0.778 32.518 31.700 0.066 0.000 0.949 497 L N 1.116 122.503 121.223 0.273 0.000 2.089 497 L HA -0.253 4.087 4.340 -0.000 0.000 0.213 497 L C 2.897 179.936 176.870 0.282 0.000 1.079 497 L CA 2.067 57.094 54.840 0.311 0.000 0.758 497 L CB -0.839 41.310 42.059 0.150 0.000 0.891 497 L HN 0.507 nan 8.230 nan 0.000 0.433 498 R N 0.631 121.237 120.500 0.177 0.000 2.105 498 R HA -0.158 4.182 4.340 -0.000 0.000 0.239 498 R C 2.227 178.593 176.300 0.111 0.000 1.135 498 R CA 1.428 57.613 56.100 0.142 0.000 0.967 498 R CB -0.770 29.584 30.300 0.088 0.000 0.861 498 R HN 0.270 nan 8.270 nan 0.000 0.442 499 A N 1.111 123.951 122.820 0.034 0.000 1.930 499 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 499 A C 1.820 179.336 177.584 -0.114 0.000 1.175 499 A CA 0.999 52.974 52.037 -0.103 0.000 0.627 499 A CB -0.950 17.894 19.000 -0.260 0.000 0.815 499 A HN 0.570 nan 8.150 nan 0.000 0.443 500 W N 0.174 121.545 121.300 0.118 0.000 2.363 500 W HA -0.121 4.539 4.660 -0.000 0.000 0.296 500 W C 2.336 179.036 176.519 0.302 0.000 1.212 500 W CA 1.557 59.016 57.345 0.190 0.000 1.260 500 W CB 0.033 29.602 29.460 0.181 0.000 1.131 500 W HN 0.319 nan 8.180 nan 0.000 0.530 501 K N 0.267 120.972 120.400 0.509 0.000 2.057 501 K HA -0.165 4.155 4.320 -0.000 0.000 0.207 501 K C 2.099 178.807 176.600 0.180 0.000 1.049 501 K CA 1.886 58.442 56.287 0.448 0.000 0.931 501 K CB -0.356 32.386 32.500 0.403 0.000 0.714 501 K HN -0.073 nan 8.250 nan 0.000 0.440 502 S N 0.754 116.519 115.700 0.108 0.000 2.370 502 S HA -0.136 4.334 4.470 -0.000 0.000 0.226 502 S C 1.857 176.454 174.600 -0.005 0.000 1.033 502 S CA 1.370 59.582 58.200 0.020 0.000 1.011 502 S CB -0.255 62.936 63.200 -0.015 0.000 0.852 502 S HN 0.365 nan 8.310 nan 0.000 0.457 503 R N 1.053 121.564 120.500 0.018 0.000 2.075 503 R HA 0.043 4.383 4.340 -0.000 0.000 0.232 503 R C 2.601 178.905 176.300 0.007 0.000 1.126 503 R CA 1.207 57.312 56.100 0.008 0.000 0.963 503 R CB -0.484 29.830 30.300 0.024 0.000 0.858 503 R HN 0.411 nan 8.270 nan 0.000 0.435 504 A N 1.097 123.962 122.820 0.074 0.000 1.969 504 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 504 A C 2.048 179.451 177.584 -0.302 0.000 1.169 504 A CA 0.974 52.954 52.037 -0.095 0.000 0.635 504 A CB -0.328 18.696 19.000 0.040 0.000 0.810 504 A HN 0.192 nan 8.150 nan 0.000 0.445 505 R N -0.594 119.786 120.500 -0.201 0.000 2.091 505 R HA -0.156 4.184 4.340 -0.000 0.000 0.238 505 R C 2.462 178.649 176.300 -0.188 0.000 1.136 505 R CA 1.356 57.337 56.100 -0.199 0.000 0.959 505 R CB -0.410 29.816 30.300 -0.123 0.000 0.856 505 R HN 0.528 nan 8.270 nan 0.000 0.437 506 A N 0.295 123.024 122.820 -0.151 0.000 1.930 506 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 506 A C 2.305 179.783 177.584 -0.177 0.000 1.175 506 A CA 1.216 53.171 52.037 -0.135 0.000 0.627 506 A CB -0.401 18.542 19.000 -0.095 0.000 0.815 506 A HN 0.132 nan 8.150 nan 0.000 0.443 507 V N 0.118 119.881 119.914 -0.251 0.000 2.343 507 V HA -0.260 3.860 4.120 -0.000 0.000 0.247 507 V C 2.637 178.477 176.094 -0.424 0.000 1.051 507 V CA 2.263 64.369 62.300 -0.324 0.000 1.036 507 V CB -0.811 30.748 31.823 -0.441 0.000 0.654 507 V HN 0.681 nan 8.190 nan 0.000 0.451 508 R N 0.312 120.477 120.500 -0.559 0.000 2.096 508 R HA -0.217 4.123 4.340 -0.000 0.000 0.240 508 R C 2.295 178.477 176.300 -0.198 0.000 1.139 508 R CA 1.911 57.774 56.100 -0.395 0.000 0.952 508 R CB -0.498 29.609 30.300 -0.322 0.000 0.854 508 R HN 0.484 nan 8.270 nan 0.000 0.436 509 A N 0.016 122.734 122.820 -0.169 0.000 1.902 509 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 509 A C 2.216 179.752 177.584 -0.081 0.000 1.181 509 A CA 1.956 53.930 52.037 -0.105 0.000 0.623 509 A CB -0.546 18.399 19.000 -0.093 0.000 0.818 509 A HN 0.449 nan 8.150 nan 0.000 0.443 510 S N -0.321 115.325 115.700 -0.089 0.000 2.383 510 S HA -0.056 4.414 4.470 -0.000 0.000 0.227 510 S C 1.801 176.383 174.600 -0.029 0.000 1.026 510 S CA 1.315 59.483 58.200 -0.053 0.000 0.981 510 S CB -0.390 62.780 63.200 -0.050 0.000 0.818 510 S HN 0.505 nan 8.310 nan 0.000 0.472 511 L N 0.890 122.087 121.223 -0.043 0.000 2.027 511 L HA -0.035 4.305 4.340 -0.000 0.000 0.206 511 L C 2.179 179.048 176.870 -0.000 0.000 1.074 511 L CA 1.109 55.947 54.840 -0.002 0.000 0.745 511 L CB -0.496 41.555 42.059 -0.013 0.000 0.898 511 L HN 0.285 nan 8.230 nan 0.000 0.433 512 I N -0.049 120.508 120.570 -0.022 0.000 2.264 512 I HA -0.299 3.871 4.170 -0.000 0.000 0.248 512 I C 2.672 178.785 176.117 -0.007 0.000 1.111 512 I CA 1.230 62.522 61.300 -0.013 0.000 1.382 512 I CB -0.418 37.565 38.000 -0.027 0.000 1.060 512 I HN 0.223 nan 8.210 nan 0.000 0.418 513 A N -0.380 122.432 122.820 -0.013 0.000 2.066 513 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 513 A C 2.198 179.784 177.584 0.003 0.000 1.157 513 A CA 0.942 52.974 52.037 -0.008 0.000 0.670 513 A CB -0.295 18.696 19.000 -0.014 0.000 0.804 513 A HN 0.380 nan 8.150 nan 0.000 0.453 514 Q N -0.725 119.082 119.800 0.011 0.000 2.369 514 Q HA 0.162 4.502 4.340 -0.000 0.000 0.206 514 Q C 1.178 177.192 176.000 0.023 0.000 0.963 514 Q CA 0.733 56.549 55.803 0.021 0.000 0.894 514 Q CB -0.337 28.423 28.738 0.037 0.000 0.965 514 Q HN 0.811 nan 8.270 nan 0.000 0.475 515 G N -0.095 108.716 108.800 0.019 0.000 2.782 515 G HA2 -0.108 3.851 3.960 -0.000 0.000 0.228 515 G HA3 -0.108 3.851 3.960 -0.000 0.000 0.228 515 G C 0.262 175.176 174.900 0.024 0.000 1.372 515 G CA 0.282 45.393 45.100 0.018 0.000 0.862 515 G HN 0.808 nan 8.290 nan 0.000 0.547 516 A N -1.397 121.435 122.820 0.019 0.000 5.483 516 A HA -0.301 4.019 4.320 -0.000 0.000 0.309 516 A C 1.881 179.478 177.584 0.020 0.000 1.898 516 A CA 3.326 55.374 52.037 0.019 0.000 0.716 516 A CB -1.428 17.585 19.000 0.022 0.000 1.309 516 A HN 2.086 nan 8.150 nan 0.000 0.380 517 R N -0.541 119.975 120.500 0.027 0.000 2.148 517 R HA 0.208 4.548 4.340 -0.000 0.000 0.223 517 R C 2.558 178.886 176.300 0.047 0.000 1.088 517 R CA 1.767 57.883 56.100 0.027 0.000 0.985 517 R CB -0.479 29.844 30.300 0.040 0.000 0.880 517 R HN 0.877 nan 8.270 nan 0.000 0.451 518 A N 0.649 123.508 122.820 0.065 0.000 1.933 518 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 518 A C 2.269 179.887 177.584 0.056 0.000 1.175 518 A CA 1.654 53.745 52.037 0.090 0.000 0.628 518 A CB -0.634 18.421 19.000 0.091 0.000 0.814 518 A HN 0.385 nan 8.150 nan 0.000 0.444 519 A N -0.099 122.743 122.820 0.037 0.000 1.930 519 A HA -0.017 4.303 4.320 -0.000 0.000 0.217 519 A C 2.073 179.678 177.584 0.036 0.000 1.175 519 A CA 1.320 53.374 52.037 0.027 0.000 0.627 519 A CB -0.559 18.454 19.000 0.021 0.000 0.815 519 A HN 0.488 nan 8.150 nan 0.000 0.443 520 I N -0.525 120.058 120.570 0.022 0.000 2.264 520 I HA -0.345 3.824 4.170 -0.000 0.000 0.248 520 I C 2.440 178.551 176.117 -0.009 0.000 1.111 520 I CA 1.106 62.404 61.300 -0.002 0.000 1.382 520 I CB -0.480 37.444 38.000 -0.127 0.000 1.060 520 I HN 0.382 nan 8.210 nan 0.000 0.418 521 C N 0.766 120.055 119.300 -0.018 0.000 2.429 521 C HA -0.108 4.352 4.460 -0.000 0.000 0.277 521 C C 2.976 177.953 174.990 -0.022 0.000 1.262 521 C CA 1.116 60.099 59.018 -0.057 0.000 1.733 521 C CB -1.717 26.000 27.740 -0.038 0.000 2.010 521 C HN 0.672 nan 8.230 nan 0.000 0.483 522 G N -0.010 108.809 108.800 0.032 0.000 2.404 522 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.215 522 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.215 522 G C 1.813 176.754 174.900 0.069 0.000 1.174 522 G CA 0.335 45.482 45.100 0.078 0.000 0.780 522 G HN 0.562 nan 8.290 nan 0.000 0.537 523 R N -1.082 119.444 120.500 0.043 0.000 2.075 523 R HA -0.024 4.316 4.340 -0.000 0.000 0.232 523 R C 2.334 178.569 176.300 -0.108 0.000 1.126 523 R CA 1.282 57.376 56.100 -0.011 0.000 0.963 523 R CB -0.342 29.978 30.300 0.034 0.000 0.858 523 R HN 0.449 nan 8.270 nan 0.000 0.435 524 Y N 0.454 120.580 120.300 -0.290 0.000 2.230 524 Y HA 0.022 4.572 4.550 -0.000 0.000 0.294 524 Y C 2.169 177.758 175.900 -0.520 0.000 1.120 524 Y CA 0.685 58.444 58.100 -0.568 0.000 1.129 524 Y CB -0.353 37.522 38.460 -0.975 0.000 1.040 524 Y HN -0.096 nan 8.280 nan 0.000 0.519 525 L N -1.776 119.294 121.223 -0.255 0.000 2.201 525 L HA -0.150 4.190 4.340 -0.000 0.000 0.212 525 L C 0.672 177.275 176.870 -0.445 0.000 1.105 525 L CA 1.359 56.011 54.840 -0.314 0.000 0.775 525 L CB -0.375 41.350 42.059 -0.556 0.000 0.913 525 L HN 0.156 nan 8.230 nan 0.000 0.440 526 F N -1.599 118.285 119.950 -0.109 0.000 2.764 526 F HA 0.189 4.716 4.527 -0.000 0.000 0.310 526 F C 1.660 177.179 175.800 -0.467 0.000 1.124 526 F CA -0.313 57.448 58.000 -0.398 0.000 1.252 526 F CB -0.626 38.133 39.000 -0.400 0.000 1.010 526 F HN -0.000 nan 8.300 nan 0.000 0.518 527 N N 1.055 119.681 118.700 -0.124 0.000 2.205 527 N HA -0.184 4.556 4.740 -0.000 0.000 0.186 527 N C 1.966 177.449 175.510 -0.045 0.000 1.015 527 N CA 1.592 54.587 53.050 -0.091 0.000 0.862 527 N CB -0.091 38.358 38.487 -0.062 0.000 0.986 527 N HN 0.587 nan 8.380 nan 0.000 0.429 528 W N 0.281 121.616 121.300 0.058 0.000 2.421 528 W HA 0.039 4.699 4.660 -0.000 0.000 0.270 528 W C 1.449 178.021 176.519 0.088 0.000 1.233 528 W CA 0.646 58.034 57.345 0.071 0.000 1.226 528 W CB -0.646 28.863 29.460 0.082 0.000 1.121 528 W HN -0.013 nan 8.180 nan 0.000 0.579 529 A N 1.403 123.856 122.820 -0.612 0.000 2.169 529 A HA 0.212 4.532 4.320 -0.000 0.000 0.212 529 A C 1.065 178.515 177.584 -0.223 0.000 1.153 529 A CA 0.996 52.661 52.037 -0.619 0.000 0.756 529 A CB -0.790 17.625 19.000 -0.975 0.000 0.813 529 A HN 0.120 nan 8.150 nan 0.000 0.471 530 V N -2.333 117.490 119.914 -0.151 0.000 2.713 530 V HA 0.393 4.513 4.120 -0.000 0.000 0.307 530 V C 1.178 177.251 176.094 -0.035 0.000 1.052 530 V CA -0.394 61.854 62.300 -0.088 0.000 0.967 530 V CB 1.573 33.339 31.823 -0.095 0.000 1.019 530 V HN 0.477 nan 8.190 nan 0.000 0.459 531 K N 1.405 121.788 120.400 -0.028 0.000 1.984 531 K HA -0.039 4.281 4.320 -0.000 0.000 0.209 531 K C 0.669 177.256 176.600 -0.021 0.000 1.046 531 K CA 1.630 57.908 56.287 -0.015 0.000 0.934 531 K CB -0.610 31.882 32.500 -0.013 0.000 0.717 531 K HN 0.666 nan 8.250 nan 0.000 0.438 532 T N 3.021 117.557 114.554 -0.029 0.000 2.875 532 T HA 0.223 4.573 4.350 -0.000 0.000 0.307 532 T C -0.602 174.074 174.700 -0.039 0.000 1.013 532 T CA -0.307 61.774 62.100 -0.031 0.000 0.970 532 T CB 0.901 69.751 68.868 -0.030 0.000 0.986 532 T HN 0.151 nan 8.240 nan 0.000 0.536 533 K N 2.773 123.151 120.400 -0.036 0.000 2.270 533 K HA 0.372 4.692 4.320 -0.000 0.000 0.276 533 K C 0.194 176.761 176.600 -0.056 0.000 1.023 533 K CA -0.474 55.787 56.287 -0.044 0.000 0.955 533 K CB 0.757 33.241 32.500 -0.027 0.000 0.975 533 K HN 0.462 nan 8.250 nan 0.000 0.471 534 L N 2.207 123.381 121.223 -0.080 0.000 2.436 534 L HA 0.196 4.536 4.340 -0.000 0.000 0.265 534 L C 0.307 177.115 176.870 -0.104 0.000 1.168 534 L CA -0.617 54.164 54.840 -0.097 0.000 0.815 534 L CB 0.406 42.386 42.059 -0.133 0.000 1.109 534 L HN 0.382 nan 8.230 nan 0.000 0.462 535 K N 2.627 122.974 120.400 -0.089 0.000 2.273 535 K HA 0.308 4.628 4.320 -0.000 0.000 0.287 535 K C -1.030 175.498 176.600 -0.119 0.000 1.089 535 K CA -0.314 55.927 56.287 -0.076 0.000 0.909 535 K CB 0.118 32.594 32.500 -0.041 0.000 1.123 535 K HN 0.203 nan 8.250 nan 0.000 0.473 536 L N 4.030 125.158 121.223 -0.159 0.000 2.305 536 L HA 0.402 4.742 4.340 -0.000 0.000 0.281 536 L C 0.521 177.365 176.870 -0.044 0.000 1.085 536 L CA 0.051 54.727 54.840 -0.273 0.000 0.813 536 L CB 0.901 42.708 42.059 -0.420 0.000 1.157 536 L HN 0.842 nan 8.230 nan 0.000 0.436 537 T N 1.369 115.955 114.554 0.053 0.000 2.952 537 T HA 0.707 5.057 4.350 -0.000 0.000 0.286 537 T C -2.598 172.239 174.700 0.229 0.000 1.024 537 T CA -2.238 59.938 62.100 0.127 0.000 1.029 537 T CB 1.456 70.383 68.868 0.097 0.000 1.094 537 T HN 0.262 nan 8.240 nan 0.000 0.515 538 P HA 0.228 nan 4.420 nan 0.000 0.266 538 P C -0.749 176.621 177.300 0.116 0.000 1.195 538 P CA -0.285 62.905 63.100 0.151 0.000 0.768 538 P CB 0.283 32.038 31.700 0.091 0.000 0.838 539 L N 6.125 127.392 121.223 0.073 0.000 2.260 539 L HA 0.231 4.571 4.340 -0.000 0.000 0.289 539 L C -1.065 175.800 176.870 -0.007 0.000 1.057 539 L CA -1.674 53.155 54.840 -0.020 0.000 0.811 539 L CB 1.252 43.235 42.059 -0.127 0.000 1.184 539 L HN 0.347 nan 8.230 nan 0.000 0.429 540 P HA -0.223 nan 4.420 nan 0.000 0.216 540 P C 1.068 178.358 177.300 -0.016 0.000 1.150 540 P CA 1.299 64.395 63.100 -0.006 0.000 0.843 540 P CB 0.142 31.839 31.700 -0.005 0.000 0.787 541 E N 0.290 120.474 120.200 -0.027 0.000 2.153 541 E HA -0.132 4.218 4.350 -0.000 0.000 0.194 541 E C 2.012 178.592 176.600 -0.033 0.000 0.988 541 E CA 1.183 57.565 56.400 -0.030 0.000 0.811 541 E CB -0.940 28.740 29.700 -0.033 0.000 0.746 541 E HN 0.137 nan 8.360 nan 0.000 0.466 542 A N 1.529 124.334 122.820 -0.026 0.000 1.930 542 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 542 A C 2.346 179.912 177.584 -0.030 0.000 1.175 542 A CA 1.393 53.417 52.037 -0.023 0.000 0.627 542 A CB -0.460 18.544 19.000 0.008 0.000 0.815 542 A HN 0.238 nan 8.150 nan 0.000 0.443 543 S N -0.499 115.190 115.700 -0.019 0.000 2.442 543 S HA -0.091 4.379 4.470 -0.000 0.000 0.236 543 S C 1.730 176.311 174.600 -0.032 0.000 1.007 543 S CA 1.320 59.508 58.200 -0.019 0.000 0.965 543 S CB -0.172 63.024 63.200 -0.007 0.000 0.773 543 S HN 0.629 nan 8.310 nan 0.000 0.504 544 R N -0.018 120.459 120.500 -0.038 0.000 2.362 544 R HA 0.330 4.670 4.340 -0.000 0.000 0.227 544 R C -0.245 176.015 176.300 -0.067 0.000 0.905 544 R CA -0.069 56.004 56.100 -0.045 0.000 1.067 544 R CB 0.171 30.450 30.300 -0.035 0.000 1.078 544 R HN 0.268 nan 8.270 nan 0.000 0.516 545 L N 2.811 123.982 121.223 -0.085 0.000 2.349 545 L HA 0.105 4.445 4.340 -0.000 0.000 0.275 545 L C -0.426 176.345 176.870 -0.165 0.000 1.115 545 L CA -0.366 54.394 54.840 -0.133 0.000 0.820 545 L CB 0.752 42.715 42.059 -0.160 0.000 1.135 545 L HN 0.151 nan 8.230 nan 0.000 0.445 546 D N 4.908 125.189 120.400 -0.198 0.000 2.467 546 D HA 0.217 4.857 4.640 -0.000 0.000 0.220 546 D C 0.395 176.471 176.300 -0.372 0.000 1.103 546 D CA -0.323 53.546 54.000 -0.217 0.000 0.886 546 D CB 1.130 41.833 40.800 -0.162 0.000 1.025 546 D HN 0.361 nan 8.370 nan 0.000 0.514 547 L N 0.713 121.677 121.223 -0.432 0.000 2.693 547 L HA 0.071 4.411 4.340 -0.000 0.000 0.235 547 L C 2.118 178.677 176.870 -0.517 0.000 1.127 547 L CA -0.230 54.151 54.840 -0.765 0.000 0.914 547 L CB 0.178 41.744 42.059 -0.822 0.000 1.193 547 L HN 0.234 nan 8.230 nan 0.000 0.502 548 S N 1.099 116.657 115.700 -0.236 0.000 2.380 548 S HA -0.209 4.261 4.470 -0.000 0.000 0.229 548 S C 2.059 176.578 174.600 -0.134 0.000 1.043 548 S CA 1.917 60.076 58.200 -0.070 0.000 1.038 548 S CB -0.250 62.915 63.200 -0.059 0.000 0.872 548 S HN 0.622 nan 8.310 nan 0.000 0.456 549 G N -0.873 107.790 108.800 -0.227 0.000 2.501 549 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.220 549 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.220 549 G C 0.849 175.633 174.900 -0.193 0.000 1.114 549 G CA 0.641 45.629 45.100 -0.186 0.000 0.757 549 G HN 0.556 nan 8.290 nan 0.000 0.559 550 W N -0.043 120.760 121.300 -0.829 0.000 2.678 550 W HA 0.353 5.013 4.660 -0.000 0.000 0.256 550 W C -0.147 175.544 176.519 -1.381 0.000 1.280 550 W CA -0.566 55.904 57.345 -1.458 0.000 1.345 550 W CB -0.381 27.947 29.460 -1.886 0.000 1.118 550 W HN 0.052 nan 8.180 nan 0.000 0.629 551 F N 0.905 120.781 119.950 -0.124 0.000 2.451 551 F HA 0.382 4.909 4.527 -0.000 0.000 0.367 551 F C 0.580 176.396 175.800 0.026 0.000 1.100 551 F CA -1.254 56.622 58.000 -0.207 0.000 1.171 551 F CB 0.052 38.885 39.000 -0.278 0.000 1.405 551 F HN -0.368 nan 8.300 nan 0.000 0.482 552 T N -1.787 112.898 114.554 0.218 0.000 2.804 552 T HA 0.783 5.133 4.350 -0.000 0.000 0.290 552 T C -0.314 174.478 174.700 0.152 0.000 1.099 552 T CA -0.941 61.284 62.100 0.209 0.000 1.011 552 T CB 1.292 70.246 68.868 0.144 0.000 1.291 552 T HN 0.224 nan 8.240 nan 0.000 0.523 553 V N 0.157 120.150 119.914 0.131 0.000 2.811 553 V HA 0.692 4.812 4.120 -0.000 0.000 0.302 553 V C 1.177 177.127 176.094 -0.240 0.000 1.063 553 V CA 0.050 62.261 62.300 -0.150 0.000 1.088 553 V CB -0.068 31.765 31.823 0.016 0.000 0.982 553 V HN 1.251 nan 8.190 nan 0.000 0.485 554 G N 1.723 110.271 108.800 -0.420 0.000 2.975 554 G HA2 0.728 4.687 3.960 -0.000 0.000 0.159 554 G HA3 0.728 4.687 3.960 -0.000 0.000 0.159 554 G C -0.193 174.594 174.900 -0.189 0.000 1.525 554 G CA -0.213 44.770 45.100 -0.196 0.000 1.075 554 G HN 1.434 nan 8.290 nan 0.000 0.574 555 A N -1.843 120.894 122.820 -0.139 0.000 2.479 555 A HA 0.755 5.075 4.320 -0.000 0.000 0.296 555 A C 0.297 177.820 177.584 -0.102 0.000 1.121 555 A CA 0.050 51.992 52.037 -0.159 0.000 0.743 555 A CB 1.083 20.138 19.000 0.091 0.000 1.323 555 A HN 1.482 nan 8.150 nan 0.000 0.415 556 G N -0.646 108.108 108.800 -0.076 0.000 2.380 556 G HA2 0.505 4.465 3.960 -0.000 0.000 0.242 556 G HA3 0.505 4.465 3.960 -0.000 0.000 0.242 556 G C 1.180 176.090 174.900 0.016 0.000 1.298 556 G CA 0.706 45.801 45.100 -0.007 0.000 0.878 556 G HN 2.388 nan 8.290 nan 0.000 0.542 557 G N 0.780 109.589 108.800 0.015 0.000 2.155 557 G HA2 0.137 4.097 3.960 -0.000 0.000 0.257 557 G HA3 0.137 4.097 3.960 -0.000 0.000 0.257 557 G C 1.462 176.345 174.900 -0.028 0.000 0.983 557 G CA 0.947 46.045 45.100 -0.004 0.000 0.676 557 G HN 2.536 nan 8.290 nan 0.000 0.528 558 G N -0.362 108.420 108.800 -0.030 0.000 2.296 558 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.282 558 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.282 558 G C 0.329 175.192 174.900 -0.061 0.000 1.014 558 G CA 1.169 46.238 45.100 -0.052 0.000 0.812 558 G HN 1.292 nan 8.290 nan 0.000 0.508 559 D N -0.211 120.171 120.400 -0.030 0.000 2.934 559 D HA 0.470 5.110 4.640 -0.000 0.000 0.237 559 D C 0.399 176.693 176.300 -0.009 0.000 1.158 559 D CA -0.096 53.887 54.000 -0.028 0.000 0.971 559 D CB -0.411 40.387 40.800 -0.003 0.000 1.123 559 D HN 0.501 nan 8.370 nan 0.000 0.467 560 I N 0.812 121.340 120.570 -0.071 0.000 2.827 560 I HA 0.390 4.560 4.170 -0.000 0.000 0.298 560 I C -2.056 173.874 176.117 -0.311 0.000 1.235 560 I CA -1.164 60.047 61.300 -0.148 0.000 1.021 560 I CB 1.771 39.739 38.000 -0.053 0.000 1.259 560 I HN -0.112 nan 8.210 nan 0.000 0.427 561 Y N 6.240 126.190 120.300 -0.583 0.000 2.373 561 Y HA 0.547 5.097 4.550 -0.000 0.000 0.336 561 Y C -1.365 174.111 175.900 -0.707 0.000 0.979 561 Y CA -0.521 57.221 58.100 -0.595 0.000 1.080 561 Y CB 1.096 39.331 38.460 -0.374 0.000 1.190 561 Y HN 0.457 nan 8.280 nan 0.000 0.446 562 H N 4.459 123.024 119.070 -0.840 0.000 2.511 562 H HA 0.601 5.157 4.556 -0.000 0.000 0.328 562 H C -0.181 174.770 175.328 -0.628 0.000 1.044 562 H CA 0.021 55.753 56.048 -0.525 0.000 1.212 562 H CB 1.559 31.216 29.762 -0.175 0.000 1.428 562 H HN 0.895 nan 8.280 nan 0.000 0.483 563 S N 0.000 115.541 115.700 -0.266 0.000 2.498 563 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 563 S CA 0.000 58.140 58.200 -0.100 0.000 1.107 563 S CB 0.000 63.203 63.200 0.006 0.000 0.593 563 S HN 0.000 nan 8.310 nan 0.000 0.517