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 1olz_1_A DATA FIRST_RESID 3 DATA SEQUENCE FAPIPRITWE HREVHLVQFH EPDIYNYSAL LLSEDKDTLY IGAREAVFAV DATA SEQUENCE NALNISEKQH EVYWKVSEDK KAKcAEKGKS KQTEcLNYIR VLQPLSATSL DATA SEQUENCE YVcGTNAFQP AcDHLNLTSF KFLGKNEDGK GRCPFDPAHS YTSVMVDGEL DATA SEQUENCE YSGTSYNFLG SEPIISRNSS HSPLRTEYAI PWLNEPSFVF ADVIRKSPXX DATA SEQUENCE XXGEDDRVYF FFTEVSVEYE FVFRVLIPRI ARVcKGDQGG LRTLQKKWTS DATA SEQUENCE FLKARLIcSR PDSGLVFNVL RDVFVLRSPG LKVPVFYALF TPQLNNVGLS DATA SEQUENCE AVcAYNLSTA EEVFSHGKYM QSTTVEQSHT KWVRYNGPVP KPRPGAcIDS DATA SEQUENCE EARAANYTSS LNLPDKTLQF VKDHPLMDDS VTPIDNRPRL IKKDVNYTQI DATA SEQUENCE VVDRTQALDG TVYDVMFVST DRGALHKAIS LEHAVHIIEE TQLFQDFEPV DATA SEQUENCE QTLLLSSKKG NRFVYAGSNS GVVQAPLAFc GKHGTcEDcV LARDPYcAWS DATA SEQUENCE PPTATcVALH QTESPSRGLI QEMSGDASVc PDKSKGSYRQ HFFKHGGTAE DATA SEQUENCE LKcSQKSNLA RVFWKFQNGV LKAESPKYGL MGRKNLLIFN LSEGDSGVYQ DATA SEQUENCE cLSEERVKNK TVFQVVAKHV LEVKVV 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 3 F HA 0.000 nan 4.527 nan 0.000 0.279 3 F C 0.000 175.829 175.800 0.048 0.000 0.967 3 F CA 0.000 58.031 58.000 0.051 0.000 1.383 3 F CB 0.000 39.032 39.000 0.053 0.000 1.145 4 A N 2.943 125.898 122.820 0.226 0.000 2.466 4 A HA 0.599 4.912 4.320 -0.013 0.000 0.238 4 A C -2.212 175.459 177.584 0.146 0.000 1.074 4 A CA -0.812 51.319 52.037 0.157 0.000 0.774 4 A CB -0.433 18.659 19.000 0.154 0.000 1.015 4 A HN 0.394 nan 8.150 nan 0.000 0.498 5 P HA 0.364 nan 4.420 nan 0.000 0.279 5 P C -0.107 177.221 177.300 0.046 0.000 1.282 5 P CA -0.382 62.761 63.100 0.071 0.000 0.788 5 P CB 0.289 32.028 31.700 0.064 0.000 1.139 6 I N -3.287 117.291 120.570 0.014 0.000 2.823 6 I HA 0.342 4.504 4.170 -0.013 0.000 0.290 6 I C -2.343 173.729 176.117 -0.075 0.000 1.091 6 I CA -2.770 58.517 61.300 -0.021 0.000 1.365 6 I CB -0.730 37.253 38.000 -0.028 0.000 1.427 6 I HN 0.058 nan 8.210 nan 0.000 0.583 7 P HA 0.053 nan 4.420 nan 0.000 0.264 7 P C 0.168 177.363 177.300 -0.175 0.000 1.193 7 P CA -0.009 62.952 63.100 -0.232 0.000 0.763 7 P CB 0.602 32.082 31.700 -0.366 0.000 0.810 8 R N 3.287 123.691 120.500 -0.159 0.000 2.105 8 R HA -0.039 4.293 4.340 -0.013 0.000 0.239 8 R C 0.330 176.523 176.300 -0.178 0.000 1.135 8 R CA 1.302 57.337 56.100 -0.109 0.000 0.967 8 R CB -0.073 30.219 30.300 -0.014 0.000 0.861 8 R HN 0.447 nan 8.270 nan 0.000 0.442 9 I N -0.239 120.168 120.570 -0.272 0.000 2.608 9 I HA 0.207 4.370 4.170 -0.013 0.000 0.295 9 I C -0.887 174.896 176.117 -0.557 0.000 1.049 9 I CA -0.748 60.271 61.300 -0.468 0.000 1.063 9 I CB 2.621 40.210 38.000 -0.685 0.000 1.248 9 I HN -0.126 nan 8.210 nan 0.000 0.424 10 T N 3.671 117.894 114.554 -0.551 0.000 2.791 10 T HA 0.357 4.699 4.350 -0.013 0.000 0.288 10 T C -1.147 173.319 174.700 -0.391 0.000 0.999 10 T CA -0.391 61.482 62.100 -0.378 0.000 0.952 10 T CB 0.324 69.089 68.868 -0.172 0.000 0.938 10 T HN 0.313 nan 8.240 nan 0.000 0.444 11 W N 2.901 124.143 121.300 -0.098 0.000 2.361 11 W HA 0.407 5.059 4.660 -0.012 0.000 0.309 11 W C 0.494 176.942 176.519 -0.118 0.000 1.122 11 W CA -1.086 56.156 57.345 -0.172 0.000 1.208 11 W CB 0.763 29.994 29.460 -0.381 0.000 1.246 11 W HN 0.413 nan 8.180 nan 0.000 0.490 12 E N 1.284 121.587 120.200 0.173 0.000 2.373 12 E HA -0.040 4.302 4.350 -0.013 0.000 0.263 12 E C 0.934 177.588 176.600 0.089 0.000 1.073 12 E CA -0.230 56.240 56.400 0.116 0.000 0.894 12 E CB 0.583 30.346 29.700 0.104 0.000 1.008 12 E HN 0.622 nan 8.360 nan 0.000 0.420 13 H N 2.069 121.131 119.070 -0.012 0.000 2.394 13 H HA -0.210 4.338 4.556 -0.014 0.000 0.297 13 H C 2.146 177.444 175.328 -0.050 0.000 1.113 13 H CA 2.488 58.504 56.048 -0.054 0.000 1.277 13 H CB 0.371 30.084 29.762 -0.081 0.000 1.370 13 H HN 0.423 nan 8.280 nan 0.000 0.506 14 R N 0.918 121.500 120.500 0.137 0.000 2.075 14 R HA -0.157 4.175 4.340 -0.013 0.000 0.230 14 R C 2.024 178.332 176.300 0.014 0.000 1.140 14 R CA 2.034 58.184 56.100 0.084 0.000 0.928 14 R CB -0.315 30.029 30.300 0.074 0.000 0.834 14 R HN 0.695 nan 8.270 nan 0.000 0.429 15 E N 0.740 120.945 120.200 0.010 0.000 2.273 15 E HA -0.115 4.227 4.350 -0.013 0.000 0.198 15 E C 0.920 177.399 176.600 -0.203 0.000 1.002 15 E CA 1.046 57.423 56.400 -0.038 0.000 0.828 15 E CB -0.337 29.413 29.700 0.083 0.000 0.747 15 E HN 0.330 nan 8.360 nan 0.000 0.491 16 V N -1.361 118.389 119.914 -0.274 0.000 2.919 16 V HA 0.402 4.515 4.120 -0.013 0.000 0.316 16 V C -0.586 175.425 176.094 -0.139 0.000 1.077 16 V CA -1.354 60.721 62.300 -0.374 0.000 0.977 16 V CB 1.605 32.906 31.823 -0.870 0.000 1.039 16 V HN 0.108 nan 8.190 nan 0.000 0.441 17 H N 2.833 121.836 119.070 -0.112 0.000 2.652 17 H HA 0.707 5.255 4.556 -0.012 0.000 0.298 17 H C -1.052 174.255 175.328 -0.035 0.000 1.076 17 H CA -0.550 55.463 56.048 -0.058 0.000 1.360 17 H CB 0.499 30.243 29.762 -0.030 0.000 1.421 17 H HN 0.756 nan 8.280 nan 0.000 0.464 18 L N 5.847 126.789 121.223 -0.469 0.000 2.385 18 L HA 0.399 4.732 4.340 -0.013 0.000 0.273 18 L C -0.696 175.918 176.870 -0.426 0.000 0.990 18 L CA -1.263 53.296 54.840 -0.468 0.000 0.821 18 L CB 2.227 44.023 42.059 -0.439 0.000 1.279 18 L HN 0.364 nan 8.230 nan 0.000 0.412 19 V N 2.759 122.436 119.914 -0.394 0.000 2.509 19 V HA 0.377 4.489 4.120 -0.013 0.000 0.284 19 V C -0.145 175.883 176.094 -0.110 0.000 1.047 19 V CA -0.432 61.744 62.300 -0.207 0.000 0.952 19 V CB 1.563 33.273 31.823 -0.188 0.000 0.988 19 V HN 0.768 nan 8.190 nan 0.000 0.469 20 Q N 2.998 122.778 119.800 -0.034 0.000 2.387 20 Q HA 0.703 5.035 4.340 -0.013 0.000 0.273 20 Q C -1.400 174.635 176.000 0.060 0.000 1.089 20 Q CA -0.540 55.268 55.803 0.007 0.000 0.824 20 Q CB 3.134 31.888 28.738 0.027 0.000 1.367 20 Q HN 0.670 nan 8.270 nan 0.000 0.443 21 F N 2.202 122.083 119.950 -0.114 0.000 2.578 21 F HA 0.589 5.108 4.527 -0.014 0.000 0.311 21 F C -1.294 174.348 175.800 -0.264 0.000 1.094 21 F CA -0.220 57.653 58.000 -0.212 0.000 0.923 21 F CB 1.707 40.565 39.000 -0.236 0.000 1.230 21 F HN 0.683 nan 8.300 nan 0.000 0.450 22 H N 2.432 120.559 119.070 -1.572 0.000 2.969 22 H HA 0.391 4.939 4.556 -0.013 0.000 0.304 22 H C -2.235 172.389 175.328 -1.172 0.000 1.400 22 H CA -0.923 54.351 56.048 -1.290 0.000 1.182 22 H CB 1.710 31.098 29.762 -0.624 0.000 1.865 22 H HN 0.605 nan 8.280 nan 0.000 0.512 23 E N 2.249 122.123 120.200 -0.544 0.000 2.199 23 E HA 0.407 4.749 4.350 -0.013 0.000 0.265 23 E C -2.847 173.743 176.600 -0.015 0.000 0.882 23 E CA -2.166 54.033 56.400 -0.334 0.000 0.759 23 E CB 1.971 31.588 29.700 -0.138 0.000 1.148 23 E HN 0.362 nan 8.360 nan 0.000 0.412 24 P HA -0.009 nan 4.420 nan 0.000 0.263 24 P C -0.706 176.574 177.300 -0.033 0.000 1.175 24 P CA 0.668 63.790 63.100 0.036 0.000 0.761 24 P CB 0.337 32.059 31.700 0.038 0.000 0.794 25 D N -0.330 119.998 120.400 -0.120 0.000 3.077 25 D HA -0.164 4.468 4.640 -0.013 0.000 0.217 25 D C -0.057 176.081 176.300 -0.269 0.000 1.162 25 D CA 1.084 55.012 54.000 -0.120 0.000 0.943 25 D CB -0.928 39.891 40.800 0.032 0.000 1.122 25 D HN 0.276 nan 8.370 nan 0.000 0.413 26 I N 0.541 120.827 120.570 -0.474 0.000 2.465 26 I HA 0.360 4.523 4.170 -0.013 0.000 0.291 26 I C 0.237 175.959 176.117 -0.659 0.000 1.014 26 I CA -0.515 60.609 61.300 -0.294 0.000 1.093 26 I CB 1.356 39.432 38.000 0.127 0.000 1.267 26 I HN -0.190 nan 8.210 nan 0.000 0.431 27 Y N 2.961 123.181 120.300 -0.134 0.000 2.790 27 Y HA 0.331 4.874 4.550 -0.013 0.000 0.323 27 Y C 0.147 175.841 175.900 -0.344 0.000 1.230 27 Y CA -1.439 56.572 58.100 -0.148 0.000 1.121 27 Y CB 0.632 39.089 38.460 -0.005 0.000 1.328 27 Y HN 0.642 nan 8.280 nan 0.000 0.514 28 N N -0.832 117.929 118.700 0.101 0.000 2.648 28 N HA -0.242 4.491 4.740 -0.013 0.000 0.265 28 N C -1.939 173.580 175.510 0.015 0.000 1.100 28 N CA 0.239 53.356 53.050 0.111 0.000 0.715 28 N CB -1.785 36.808 38.487 0.178 0.000 0.881 28 N HN 0.482 nan 8.380 nan 0.000 0.548 29 Y N -0.240 120.171 120.300 0.184 0.000 2.570 29 Y HA 0.169 4.711 4.550 -0.014 0.000 0.336 29 Y C 1.485 177.504 175.900 0.199 0.000 1.284 29 Y CA -0.162 58.064 58.100 0.211 0.000 1.761 29 Y CB 0.135 38.730 38.460 0.225 0.000 1.724 29 Y HN 0.481 nan 8.280 nan 0.000 0.455 30 S N -0.085 115.780 115.700 0.276 0.000 2.535 30 S HA 0.480 4.943 4.470 -0.013 0.000 0.214 30 S C 0.684 175.445 174.600 0.268 0.000 0.980 30 S CA -0.079 58.280 58.200 0.265 0.000 0.907 30 S CB 0.381 63.739 63.200 0.263 0.000 0.790 30 S HN 0.389 nan 8.310 nan 0.000 0.510 31 A N 1.475 124.450 122.820 0.259 0.000 2.343 31 A HA 0.791 5.103 4.320 -0.013 0.000 0.308 31 A C -0.909 176.818 177.584 0.237 0.000 1.092 31 A CA -0.765 51.417 52.037 0.242 0.000 0.751 31 A CB 0.992 20.118 19.000 0.210 0.000 1.203 31 A HN 0.427 nan 8.150 nan 0.000 0.452 32 L N 2.441 123.793 121.223 0.215 0.000 2.386 32 L HA 0.774 5.106 4.340 -0.013 0.000 0.271 32 L C -1.125 175.842 176.870 0.163 0.000 0.993 32 L CA -0.851 54.093 54.840 0.173 0.000 0.819 32 L CB 2.098 44.248 42.059 0.152 0.000 1.294 32 L HN 0.656 nan 8.230 nan 0.000 0.414 33 L N 3.370 124.681 121.223 0.147 0.000 2.505 33 L HA 0.550 4.883 4.340 -0.013 0.000 0.266 33 L C -1.598 175.331 176.870 0.099 0.000 0.954 33 L CA -0.286 54.654 54.840 0.167 0.000 0.852 33 L CB 1.775 43.977 42.059 0.239 0.000 1.282 33 L HN 0.346 nan 8.230 nan 0.000 0.403 34 L N 3.481 124.737 121.223 0.054 0.000 2.349 34 L HA 0.528 4.860 4.340 -0.013 0.000 0.275 34 L C 0.681 177.559 176.870 0.014 0.000 1.115 34 L CA 0.498 55.315 54.840 -0.037 0.000 0.820 34 L CB 1.313 43.382 42.059 0.017 0.000 1.135 34 L HN 0.908 nan 8.230 nan 0.000 0.445 35 S N 2.361 117.993 115.700 -0.113 0.000 2.589 35 S HA 0.080 4.542 4.470 -0.013 0.000 0.265 35 S C 1.039 175.682 174.600 0.071 0.000 1.342 35 S CA -0.007 58.226 58.200 0.054 0.000 1.005 35 S CB 0.295 63.459 63.200 -0.061 0.000 0.909 35 S HN 0.675 nan 8.310 nan 0.000 0.555 36 E N 0.965 121.229 120.200 0.107 0.000 2.110 36 E HA -0.211 4.131 4.350 -0.013 0.000 0.193 36 E C 1.040 177.669 176.600 0.048 0.000 0.988 36 E CA 1.442 57.885 56.400 0.072 0.000 0.804 36 E CB -0.606 29.136 29.700 0.070 0.000 0.745 36 E HN 0.915 nan 8.360 nan 0.000 0.458 37 D N 0.765 121.190 120.400 0.041 0.000 2.347 37 D HA -0.067 4.565 4.640 -0.013 0.000 0.215 37 D C 0.381 176.689 176.300 0.013 0.000 0.976 37 D CA 0.355 54.370 54.000 0.025 0.000 0.884 37 D CB -0.006 40.808 40.800 0.023 0.000 0.915 37 D HN 0.053 nan 8.370 nan 0.000 0.526 38 K N -1.155 119.248 120.400 0.004 0.000 3.446 38 K HA -0.152 4.160 4.320 -0.013 0.000 0.312 38 K C 0.052 176.639 176.600 -0.023 0.000 1.329 38 K CA 1.222 57.508 56.287 -0.002 0.000 0.935 38 K CB -1.378 31.138 32.500 0.028 0.000 1.281 38 K HN 0.215 nan 8.250 nan 0.000 0.457 39 D N -0.492 119.880 120.400 -0.047 0.000 2.367 39 D HA 0.039 4.671 4.640 -0.013 0.000 0.207 39 D C 0.218 176.440 176.300 -0.130 0.000 1.034 39 D CA 0.681 54.644 54.000 -0.061 0.000 0.861 39 D CB 0.547 41.322 40.800 -0.042 0.000 0.943 39 D HN 0.182 nan 8.370 nan 0.000 0.515 40 T N 0.900 115.333 114.554 -0.201 0.000 2.887 40 T HA 0.508 4.850 4.350 -0.013 0.000 0.288 40 T C -0.706 173.685 174.700 -0.515 0.000 1.021 40 T CA -0.615 61.275 62.100 -0.350 0.000 1.000 40 T CB 2.481 71.118 68.868 -0.385 0.000 1.034 40 T HN -0.145 nan 8.240 nan 0.000 0.467 41 L N 3.068 123.963 121.223 -0.547 0.000 2.325 41 L HA 0.593 4.925 4.340 -0.013 0.000 0.281 41 L C -1.713 174.883 176.870 -0.457 0.000 1.004 41 L CA -0.620 53.902 54.840 -0.530 0.000 0.823 41 L CB 0.664 42.374 42.059 -0.583 0.000 1.236 41 L HN 0.548 nan 8.230 nan 0.000 0.415 42 Y N 5.633 125.916 120.300 -0.029 0.000 2.320 42 Y HA 0.576 5.118 4.550 -0.013 0.000 0.334 42 Y C -0.073 175.879 175.900 0.085 0.000 1.055 42 Y CA -0.687 57.452 58.100 0.066 0.000 1.143 42 Y CB 1.104 39.621 38.460 0.095 0.000 1.193 42 Y HN 0.398 nan 8.280 nan 0.000 0.477 43 I N 2.743 123.511 120.570 0.331 0.000 2.410 43 I HA 0.462 4.625 4.170 -0.013 0.000 0.286 43 I C 0.407 176.759 176.117 0.392 0.000 1.009 43 I CA -0.702 60.809 61.300 0.351 0.000 1.111 43 I CB 1.805 40.052 38.000 0.412 0.000 1.262 43 I HN 0.774 nan 8.210 nan 0.000 0.443 44 G N 4.550 113.526 108.800 0.295 0.000 2.319 44 G HA2 0.714 4.666 3.960 -0.013 0.000 0.308 44 G HA3 0.714 4.666 3.960 -0.013 0.000 0.308 44 G C -0.351 174.663 174.900 0.190 0.000 1.117 44 G CA -0.108 45.117 45.100 0.207 0.000 0.903 44 G HN 0.744 nan 8.290 nan 0.000 0.436 45 A N 2.979 125.864 122.820 0.108 0.000 2.726 45 A HA 0.856 5.169 4.320 -0.013 0.000 0.248 45 A C 0.275 177.781 177.584 -0.130 0.000 1.249 45 A CA -0.919 51.087 52.037 -0.052 0.000 0.846 45 A CB 0.843 19.713 19.000 -0.216 0.000 1.391 45 A HN 0.678 nan 8.150 nan 0.000 0.497 46 R N 0.465 120.814 120.500 -0.251 0.000 2.210 46 R HA 0.318 4.650 4.340 -0.013 0.000 0.338 46 R C -0.643 175.517 176.300 -0.233 0.000 1.062 46 R CA 0.454 56.319 56.100 -0.391 0.000 0.902 46 R CB -0.200 29.716 30.300 -0.640 0.000 1.050 46 R HN 0.731 nan 8.270 nan 0.000 0.461 47 E N 0.362 120.438 120.200 -0.207 0.000 3.547 47 E HA -0.242 4.100 4.350 -0.013 0.000 0.309 47 E C -1.059 175.568 176.600 0.045 0.000 0.855 47 E CA 0.984 57.341 56.400 -0.071 0.000 1.122 47 E CB -1.436 28.257 29.700 -0.012 0.000 1.569 47 E HN 0.720 nan 8.360 nan 0.000 0.429 48 A N -0.539 122.237 122.820 -0.074 0.000 2.610 48 A HA 0.731 5.044 4.320 -0.013 0.000 0.291 48 A C -1.138 176.255 177.584 -0.318 0.000 1.086 48 A CA -0.249 51.591 52.037 -0.328 0.000 0.677 48 A CB 2.250 20.898 19.000 -0.586 0.000 1.278 48 A HN 0.134 nan 8.150 nan 0.000 0.414 49 V N 0.739 120.329 119.914 -0.540 0.000 2.733 49 V HA 0.650 4.763 4.120 -0.013 0.000 0.306 49 V C -1.397 174.496 176.094 -0.334 0.000 1.084 49 V CA -0.279 61.888 62.300 -0.221 0.000 0.905 49 V CB 1.442 33.230 31.823 -0.057 0.000 1.010 49 V HN 0.759 nan 8.190 nan 0.000 0.424 50 F N 2.024 122.121 119.950 0.244 0.000 2.598 50 F HA 0.902 5.420 4.527 -0.013 0.000 0.327 50 F C 0.367 176.296 175.800 0.215 0.000 1.057 50 F CA -0.910 57.204 58.000 0.191 0.000 0.957 50 F CB 2.056 41.114 39.000 0.096 0.000 1.278 50 F HN 0.541 nan 8.300 nan 0.000 0.484 51 A N 1.415 124.357 122.820 0.204 0.000 2.343 51 A HA 0.824 5.137 4.320 -0.013 0.000 0.308 51 A C -1.191 176.272 177.584 -0.201 0.000 1.092 51 A CA -0.667 51.417 52.037 0.078 0.000 0.751 51 A CB 1.117 20.144 19.000 0.044 0.000 1.203 51 A HN 0.970 nan 8.150 nan 0.000 0.452 52 V N 0.438 120.165 119.914 -0.312 0.000 3.078 52 V HA 0.629 4.742 4.120 -0.013 0.000 0.311 52 V C -0.218 175.676 176.094 -0.332 0.000 1.138 52 V CA -1.264 60.800 62.300 -0.393 0.000 1.007 52 V CB 1.914 33.370 31.823 -0.611 0.000 1.045 52 V HN 0.804 nan 8.190 nan 0.000 0.432 53 N N 1.888 120.422 118.700 -0.276 0.000 2.440 53 N HA 0.200 4.932 4.740 -0.013 0.000 0.265 53 N C 1.105 176.474 175.510 -0.235 0.000 1.239 53 N CA 0.751 53.668 53.050 -0.221 0.000 0.909 53 N CB 1.623 40.006 38.487 -0.173 0.000 1.066 53 N HN 1.089 nan 8.380 nan 0.000 0.474 54 A N 4.336 127.028 122.820 -0.214 0.000 2.172 54 A HA -0.042 4.270 4.320 -0.013 0.000 0.216 54 A C 1.938 179.450 177.584 -0.121 0.000 1.154 54 A CA 0.822 52.748 52.037 -0.184 0.000 0.701 54 A CB -0.208 18.718 19.000 -0.122 0.000 0.789 54 A HN 0.760 nan 8.150 nan 0.000 0.465 55 L N -1.278 119.847 121.223 -0.162 0.000 2.477 55 L HA 0.167 4.499 4.340 -0.013 0.000 0.220 55 L C 0.460 177.131 176.870 -0.331 0.000 1.106 55 L CA 0.165 54.865 54.840 -0.233 0.000 0.851 55 L CB 0.216 42.226 42.059 -0.082 0.000 0.994 55 L HN 0.366 nan 8.230 nan 0.000 0.462 56 N N 0.025 118.581 118.700 -0.239 0.000 2.793 56 N HA 0.095 4.828 4.740 -0.013 0.000 0.251 56 N C 0.438 175.843 175.510 -0.174 0.000 1.308 56 N CA -0.170 52.764 53.050 -0.193 0.000 0.781 56 N CB 0.827 39.243 38.487 -0.118 0.000 1.439 56 N HN 0.164 nan 8.380 nan 0.000 0.562 57 I N 0.187 120.652 120.570 -0.175 0.000 2.916 57 I HA -0.067 4.095 4.170 -0.013 0.000 0.267 57 I C 1.557 177.595 176.117 -0.132 0.000 1.263 57 I CA 1.070 62.249 61.300 -0.201 0.000 1.471 57 I CB -0.154 37.750 38.000 -0.159 0.000 1.089 57 I HN 0.345 nan 8.210 nan 0.000 0.468 58 S N 0.565 116.239 115.700 -0.043 0.000 2.481 58 S HA -0.013 4.450 4.470 -0.013 0.000 0.231 58 S C 0.741 175.347 174.600 0.010 0.000 0.996 58 S CA 0.089 58.318 58.200 0.047 0.000 0.942 58 S CB -0.600 62.608 63.200 0.014 0.000 0.768 58 S HN 0.649 nan 8.310 nan 0.000 0.520 59 E N 2.172 122.323 120.200 -0.081 0.000 1.996 59 E HA 0.214 4.556 4.350 -0.013 0.000 0.280 59 E C -0.556 175.941 176.600 -0.171 0.000 1.092 59 E CA -0.295 56.043 56.400 -0.103 0.000 0.862 59 E CB 0.706 30.338 29.700 -0.114 0.000 1.066 59 E HN 0.380 nan 8.360 nan 0.000 0.396 60 K N 3.098 123.424 120.400 -0.125 0.000 2.297 60 K HA 0.053 4.365 4.320 -0.013 0.000 0.286 60 K C 0.461 176.940 176.600 -0.201 0.000 1.053 60 K CA 0.145 56.331 56.287 -0.168 0.000 0.940 60 K CB 0.711 33.227 32.500 0.027 0.000 1.019 60 K HN 0.450 nan 8.250 nan 0.000 0.475 61 Q N 2.077 121.692 119.800 -0.309 0.000 2.324 61 Q HA 0.086 4.418 4.340 -0.013 0.000 0.207 61 Q C 0.040 175.547 176.000 -0.822 0.000 0.928 61 Q CA 0.523 56.016 55.803 -0.517 0.000 0.890 61 Q CB 0.472 28.898 28.738 -0.519 0.000 1.001 61 Q HN 0.598 nan 8.270 nan 0.000 0.517 62 H N -0.760 118.093 119.070 -0.362 0.000 2.990 62 H HA 0.363 4.912 4.556 -0.013 0.000 0.336 62 H C -0.997 174.094 175.328 -0.395 0.000 1.306 62 H CA -0.552 55.152 56.048 -0.573 0.000 1.118 62 H CB 1.773 30.674 29.762 -1.436 0.000 1.856 62 H HN 0.125 nan 8.280 nan 0.000 0.538 63 E N 0.295 120.436 120.200 -0.098 0.000 2.380 63 E HA 0.544 4.886 4.350 -0.013 0.000 0.281 63 E C -1.850 174.762 176.600 0.021 0.000 0.999 63 E CA -0.781 55.621 56.400 0.003 0.000 0.800 63 E CB 2.617 32.433 29.700 0.193 0.000 1.228 63 E HN 0.261 nan 8.360 nan 0.000 0.436 64 V N 2.470 122.225 119.914 -0.266 0.000 3.012 64 V HA 0.602 4.714 4.120 -0.013 0.000 0.307 64 V C -2.043 173.768 176.094 -0.471 0.000 1.166 64 V CA -0.477 61.718 62.300 -0.176 0.000 0.974 64 V CB 1.940 33.651 31.823 -0.186 0.000 1.040 64 V HN 0.749 nan 8.190 nan 0.000 0.428 65 Y N 3.594 123.970 120.300 0.127 0.000 2.562 65 Y HA 0.674 5.216 4.550 -0.013 0.000 0.343 65 Y C -0.699 175.391 175.900 0.316 0.000 1.025 65 Y CA -0.396 57.803 58.100 0.165 0.000 1.082 65 Y CB 2.170 40.689 38.460 0.099 0.000 1.264 65 Y HN 0.718 nan 8.280 nan 0.000 0.478 66 W N 4.831 126.225 121.300 0.157 0.000 1.851 66 W HA 0.378 5.031 4.660 -0.012 0.000 0.303 66 W C -1.551 174.955 176.519 -0.022 0.000 0.969 66 W CA -1.575 55.767 57.345 -0.006 0.000 1.537 66 W CB 0.471 29.785 29.460 -0.245 0.000 1.682 66 W HN 0.403 nan 8.180 nan 0.000 0.367 67 K N 2.144 122.698 120.400 0.257 0.000 2.118 67 K HA 0.526 4.838 4.320 -0.013 0.000 0.264 67 K C 0.298 176.939 176.600 0.069 0.000 1.000 67 K CA -0.825 55.521 56.287 0.098 0.000 0.929 67 K CB 1.715 34.270 32.500 0.092 0.000 1.021 67 K HN 0.126 nan 8.250 nan 0.000 0.463 68 V N -0.849 119.065 119.914 -0.001 0.000 2.530 68 V HA 0.123 4.236 4.120 -0.013 0.000 0.282 68 V C 0.558 176.672 176.094 0.034 0.000 1.048 68 V CA -0.847 61.457 62.300 0.006 0.000 0.997 68 V CB 0.662 32.475 31.823 -0.016 0.000 0.987 68 V HN 0.865 nan 8.190 nan 0.000 0.477 69 S N 2.705 118.433 115.700 0.045 0.000 2.566 69 S HA 0.057 4.519 4.470 -0.013 0.000 0.280 69 S C 0.892 175.512 174.600 0.032 0.000 1.343 69 S CA 0.220 58.444 58.200 0.040 0.000 1.036 69 S CB 0.808 64.032 63.200 0.040 0.000 0.866 69 S HN 0.885 nan 8.310 nan 0.000 0.526 70 E N 1.002 121.219 120.200 0.028 0.000 2.204 70 E HA -0.152 4.191 4.350 -0.013 0.000 0.195 70 E C 1.462 178.077 176.600 0.024 0.000 0.990 70 E CA 1.426 57.841 56.400 0.025 0.000 0.821 70 E CB -0.434 29.278 29.700 0.021 0.000 0.750 70 E HN 0.965 nan 8.360 nan 0.000 0.477 71 D N 0.078 120.493 120.400 0.024 0.000 2.091 71 D HA -0.143 4.490 4.640 -0.013 0.000 0.199 71 D C 1.885 178.201 176.300 0.027 0.000 0.980 71 D CA 1.345 55.359 54.000 0.023 0.000 0.831 71 D CB 0.115 40.927 40.800 0.021 0.000 0.987 71 D HN -0.118 nan 8.370 nan 0.000 0.460 72 K N 0.381 120.800 120.400 0.032 0.000 2.147 72 K HA -0.068 4.245 4.320 -0.013 0.000 0.205 72 K C 1.995 178.622 176.600 0.045 0.000 1.049 72 K CA 0.897 57.207 56.287 0.039 0.000 0.936 72 K CB -0.068 32.456 32.500 0.039 0.000 0.722 72 K HN 0.041 nan 8.250 nan 0.000 0.446 73 K N -0.522 119.903 120.400 0.041 0.000 2.283 73 K HA -0.059 4.253 4.320 -0.013 0.000 0.202 73 K C 1.747 178.371 176.600 0.040 0.000 1.048 73 K CA 0.988 57.303 56.287 0.046 0.000 0.948 73 K CB 0.010 32.533 32.500 0.039 0.000 0.742 73 K HN 0.185 nan 8.250 nan 0.000 0.458 74 A N 1.363 124.202 122.820 0.031 0.000 1.854 74 A HA -0.116 4.196 4.320 -0.013 0.000 0.214 74 A C 1.819 179.416 177.584 0.021 0.000 1.192 74 A CA 1.236 53.286 52.037 0.022 0.000 0.611 74 A CB -0.249 18.762 19.000 0.018 0.000 0.832 74 A HN 0.191 nan 8.150 nan 0.000 0.442 75 K N -0.717 119.698 120.400 0.025 0.000 2.152 75 K HA -0.176 4.136 4.320 -0.013 0.000 0.206 75 K C 2.126 178.743 176.600 0.029 0.000 1.048 75 K CA 1.337 57.638 56.287 0.023 0.000 0.933 75 K CB -0.519 31.998 32.500 0.029 0.000 0.721 75 K HN 0.629 nan 8.250 nan 0.000 0.447 76 c N 0.700 119.330 118.600 0.050 0.000 2.466 76 c HA 0.044 4.607 4.570 -0.013 0.000 0.278 76 c C 2.808 176.905 174.090 0.012 0.000 1.288 76 c CA 0.980 57.347 56.329 0.065 0.000 1.722 76 c CB -0.782 41.800 42.510 0.119 0.000 2.017 76 c HN 0.494 nan 8.230 nan 0.000 0.488 77 A N 0.093 122.921 122.820 0.013 0.000 2.015 77 A HA -0.137 4.175 4.320 -0.013 0.000 0.219 77 A C 2.011 179.585 177.584 -0.016 0.000 1.163 77 A CA 1.718 53.753 52.037 -0.003 0.000 0.646 77 A CB -0.681 18.324 19.000 0.008 0.000 0.806 77 A HN 0.789 nan 8.150 nan 0.000 0.448 78 E N 0.102 120.294 120.200 -0.014 0.000 2.153 78 E HA -0.166 4.176 4.350 -0.013 0.000 0.194 78 E C 1.356 177.928 176.600 -0.047 0.000 0.988 78 E CA 1.170 57.555 56.400 -0.025 0.000 0.811 78 E CB -0.121 29.566 29.700 -0.022 0.000 0.746 78 E HN 0.582 nan 8.360 nan 0.000 0.466 79 K N -0.271 120.095 120.400 -0.057 0.000 2.589 79 K HA 0.028 4.340 4.320 -0.013 0.000 0.192 79 K C 0.794 177.355 176.600 -0.065 0.000 1.029 79 K CA 0.489 56.712 56.287 -0.106 0.000 1.031 79 K CB 0.285 32.704 32.500 -0.134 0.000 0.821 79 K HN 0.229 nan 8.250 nan 0.000 0.502 80 G N 1.848 110.621 108.800 -0.045 0.000 2.149 80 G HA2 -0.210 3.742 3.960 -0.013 0.000 0.235 80 G HA3 -0.210 3.742 3.960 -0.013 0.000 0.235 80 G C -0.337 174.537 174.900 -0.043 0.000 1.018 80 G CA -0.152 44.929 45.100 -0.031 0.000 0.728 80 G HN 0.076 nan 8.290 nan 0.000 0.508 81 K N 0.479 120.831 120.400 -0.080 0.000 2.156 81 K HA 0.599 4.911 4.320 -0.013 0.000 0.250 81 K C 0.611 177.188 176.600 -0.038 0.000 0.955 81 K CA -0.302 55.909 56.287 -0.126 0.000 0.855 81 K CB 1.632 33.922 32.500 -0.350 0.000 1.101 81 K HN 0.409 nan 8.250 nan 0.000 0.434 82 S N 1.536 117.233 115.700 -0.004 0.000 2.555 82 S HA -0.026 4.437 4.470 -0.013 0.000 0.293 82 S C 1.029 175.657 174.600 0.048 0.000 1.248 82 S CA 0.155 58.370 58.200 0.026 0.000 1.096 82 S CB 0.201 63.424 63.200 0.039 0.000 0.881 82 S HN 0.592 nan 8.310 nan 0.000 0.498 83 K N 2.681 123.103 120.400 0.037 0.000 2.365 83 K HA 0.015 4.327 4.320 -0.013 0.000 0.199 83 K C 1.157 177.790 176.600 0.054 0.000 1.045 83 K CA 0.835 57.149 56.287 0.045 0.000 0.962 83 K CB 0.072 32.590 32.500 0.030 0.000 0.759 83 K HN 0.639 nan 8.250 nan 0.000 0.469 84 Q N -1.332 118.499 119.800 0.051 0.000 2.281 84 Q HA 0.100 4.432 4.340 -0.013 0.000 0.215 84 Q C 0.765 176.805 176.000 0.067 0.000 0.867 84 Q CA 0.502 56.335 55.803 0.050 0.000 0.940 84 Q CB 1.546 30.303 28.738 0.033 0.000 1.111 84 Q HN 0.134 nan 8.270 nan 0.000 0.513 85 T N -0.385 114.226 114.554 0.096 0.000 3.232 85 T HA 0.094 4.436 4.350 -0.013 0.000 0.259 85 T C 1.368 176.212 174.700 0.240 0.000 0.987 85 T CA 0.070 62.258 62.100 0.145 0.000 1.096 85 T CB 0.502 69.428 68.868 0.097 0.000 1.131 85 T HN 0.091 nan 8.240 nan 0.000 0.445 86 E N 0.473 120.786 120.200 0.190 0.000 2.112 86 E HA 0.004 4.346 4.350 -0.013 0.000 0.190 86 E C 0.646 177.456 176.600 0.350 0.000 0.979 86 E CA 0.643 57.204 56.400 0.267 0.000 0.814 86 E CB 0.084 29.959 29.700 0.291 0.000 0.762 86 E HN 0.310 nan 8.360 nan 0.000 0.460 87 c N 2.550 121.299 118.600 0.248 0.000 2.694 87 c HA 0.206 4.769 4.570 -0.013 0.000 0.455 87 c C -0.174 173.997 174.090 0.136 0.000 1.293 87 c CA -0.429 56.028 56.329 0.213 0.000 1.614 87 c CB -1.940 40.650 42.510 0.133 0.000 2.015 87 c HN 0.193 nan 8.230 nan 0.000 0.608 88 L N 0.770 122.082 121.223 0.148 0.000 2.257 88 L HA 0.499 4.832 4.340 -0.013 0.000 0.257 88 L C -0.052 176.795 176.870 -0.039 0.000 1.033 88 L CA -0.405 54.447 54.840 0.021 0.000 0.835 88 L CB 0.810 42.833 42.059 -0.059 0.000 1.398 88 L HN 0.089 nan 8.230 nan 0.000 0.429 89 N N 0.384 118.959 118.700 -0.207 0.000 2.645 89 N HA 0.188 4.920 4.740 -0.013 0.000 0.233 89 N C -1.376 173.929 175.510 -0.341 0.000 1.058 89 N CA -0.084 52.758 53.050 -0.347 0.000 0.942 89 N CB -0.199 37.935 38.487 -0.589 0.000 1.210 89 N HN 0.265 nan 8.380 nan 0.000 0.512 90 Y N 3.687 123.798 120.300 -0.316 0.000 2.404 90 Y HA 0.251 4.794 4.550 -0.012 0.000 0.344 90 Y C 0.686 176.405 175.900 -0.301 0.000 0.995 90 Y CA -0.794 57.154 58.100 -0.254 0.000 1.201 90 Y CB 0.642 38.961 38.460 -0.235 0.000 1.151 90 Y HN 0.292 nan 8.280 nan 0.000 0.517 91 I N 5.321 125.815 120.570 -0.126 0.000 2.598 91 I HA -0.018 4.144 4.170 -0.013 0.000 0.284 91 I C 0.950 177.000 176.117 -0.113 0.000 1.140 91 I CA 0.383 61.604 61.300 -0.132 0.000 1.420 91 I CB 0.916 38.893 38.000 -0.038 0.000 1.387 91 I HN 0.714 nan 8.210 nan 0.000 0.553 92 R N 4.094 124.474 120.500 -0.200 0.000 2.412 92 R HA 0.294 4.627 4.340 -0.013 0.000 0.212 92 R C -0.357 175.879 176.300 -0.107 0.000 0.878 92 R CA 0.308 56.216 56.100 -0.321 0.000 1.022 92 R CB 0.695 30.630 30.300 -0.607 0.000 1.265 92 R HN 0.384 nan 8.270 nan 0.000 0.620 93 V N 1.999 121.874 119.914 -0.065 0.000 2.540 93 V HA 0.458 4.570 4.120 -0.013 0.000 0.302 93 V C -1.062 175.053 176.094 0.034 0.000 1.035 93 V CA -0.904 61.410 62.300 0.024 0.000 0.873 93 V CB 2.289 34.107 31.823 -0.009 0.000 0.992 93 V HN 0.012 nan 8.190 nan 0.000 0.428 94 L N 5.193 126.475 121.223 0.098 0.000 2.549 94 L HA 0.537 4.870 4.340 -0.013 0.000 0.260 94 L C -0.738 176.207 176.870 0.126 0.000 1.109 94 L CA 0.214 55.114 54.840 0.100 0.000 0.900 94 L CB 1.191 43.325 42.059 0.125 0.000 1.119 94 L HN 0.640 nan 8.230 nan 0.000 0.471 95 Q N 3.991 123.871 119.800 0.133 0.000 2.433 95 Q HA 0.646 4.979 4.340 -0.013 0.000 0.279 95 Q C -2.755 173.305 176.000 0.101 0.000 1.105 95 Q CA -1.952 53.935 55.803 0.141 0.000 0.815 95 Q CB 2.277 31.125 28.738 0.183 0.000 1.403 95 Q HN 0.315 nan 8.270 nan 0.000 0.435 96 P HA 0.172 nan 4.420 nan 0.000 0.276 96 P C 0.011 177.320 177.300 0.014 0.000 1.230 96 P CA -0.043 63.082 63.100 0.042 0.000 0.776 96 P CB 1.210 32.947 31.700 0.062 0.000 0.888 97 L N 1.554 122.758 121.223 -0.032 0.000 2.445 97 L HA 0.113 4.445 4.340 -0.013 0.000 0.207 97 L C 1.175 178.008 176.870 -0.063 0.000 1.053 97 L CA 0.854 55.644 54.840 -0.083 0.000 0.841 97 L CB 0.372 42.326 42.059 -0.175 0.000 1.074 97 L HN 0.589 nan 8.230 nan 0.000 0.479 98 S N -2.842 112.830 115.700 -0.047 0.000 2.755 98 S HA 0.420 4.883 4.470 -0.013 0.000 0.286 98 S C 0.398 174.992 174.600 -0.009 0.000 1.207 98 S CA -0.008 58.178 58.200 -0.024 0.000 0.892 98 S CB 1.119 64.302 63.200 -0.028 0.000 1.240 98 S HN -0.007 nan 8.310 nan 0.000 0.525 99 A N 0.335 123.156 122.820 0.002 0.000 1.968 99 A HA 0.207 4.520 4.320 -0.013 0.000 0.217 99 A C 1.905 179.495 177.584 0.010 0.000 1.169 99 A CA 1.975 54.022 52.037 0.017 0.000 0.638 99 A CB -1.199 17.813 19.000 0.020 0.000 0.812 99 A HN 0.819 nan 8.150 nan 0.000 0.446 100 T N -0.432 114.116 114.554 -0.011 0.000 3.086 100 T HA 0.255 4.597 4.350 -0.013 0.000 0.250 100 T C 0.288 174.946 174.700 -0.069 0.000 1.074 100 T CA 0.799 62.883 62.100 -0.026 0.000 0.988 100 T CB -0.393 68.463 68.868 -0.019 0.000 0.988 100 T HN 0.700 nan 8.240 nan 0.000 0.530 101 S N -0.013 115.636 115.700 -0.086 0.000 2.588 101 S HA 0.727 5.189 4.470 -0.013 0.000 0.269 101 S C -1.556 172.950 174.600 -0.157 0.000 1.157 101 S CA -1.066 57.050 58.200 -0.140 0.000 0.824 101 S CB 1.454 64.591 63.200 -0.106 0.000 1.126 101 S HN 0.145 nan 8.310 nan 0.000 0.464 102 L N 1.448 122.554 121.223 -0.194 0.000 2.370 102 L HA 0.555 4.887 4.340 -0.013 0.000 0.266 102 L C -1.500 175.352 176.870 -0.031 0.000 1.002 102 L CA -0.956 53.800 54.840 -0.139 0.000 0.818 102 L CB 1.841 43.750 42.059 -0.250 0.000 1.325 102 L HN 0.840 nan 8.230 nan 0.000 0.418 103 Y N 2.308 122.537 120.300 -0.117 0.000 2.341 103 Y HA 0.533 5.076 4.550 -0.013 0.000 0.340 103 Y C -0.640 175.288 175.900 0.047 0.000 0.997 103 Y CA -0.711 57.350 58.100 -0.065 0.000 1.149 103 Y CB 1.137 39.559 38.460 -0.065 0.000 1.171 103 Y HN 0.166 nan 8.280 nan 0.000 0.494 104 V N 5.687 125.477 119.914 -0.206 0.000 2.531 104 V HA 0.469 4.581 4.120 -0.013 0.000 0.301 104 V C -0.732 175.263 176.094 -0.164 0.000 1.034 104 V CA -0.914 61.340 62.300 -0.076 0.000 0.865 104 V CB 1.275 33.256 31.823 0.263 0.000 0.995 104 V HN 0.886 nan 8.190 nan 0.000 0.424 105 c N 3.139 121.631 118.600 -0.181 0.000 2.563 105 c HA 0.986 5.549 4.570 -0.013 0.000 0.314 105 c C 0.679 174.602 174.090 -0.279 0.000 1.199 105 c CA -0.619 55.584 56.329 -0.211 0.000 1.564 105 c CB 1.190 43.556 42.510 -0.240 0.000 2.173 105 c HN 1.135 nan 8.230 nan 0.000 0.485 106 G N 0.350 108.875 108.800 -0.457 0.000 2.619 106 G HA2 0.548 4.500 3.960 -0.013 0.000 0.296 106 G HA3 0.548 4.500 3.960 -0.013 0.000 0.296 106 G C 0.618 175.218 174.900 -0.500 0.000 1.334 106 G CA 0.305 45.080 45.100 -0.542 0.000 0.934 106 G HN 0.808 nan 8.290 nan 0.000 0.476 107 T N -1.322 112.981 114.554 -0.419 0.000 2.977 107 T HA -0.131 4.211 4.350 -0.013 0.000 0.271 107 T C 1.305 175.757 174.700 -0.412 0.000 1.105 107 T CA 1.033 62.876 62.100 -0.428 0.000 1.116 107 T CB -0.304 68.310 68.868 -0.423 0.000 0.878 107 T HN 0.932 nan 8.240 nan 0.000 0.509 108 N N 1.614 120.054 118.700 -0.433 0.000 2.699 108 N HA -0.248 4.484 4.740 -0.013 0.000 0.256 108 N C 0.407 175.814 175.510 -0.171 0.000 0.993 108 N CA 1.017 53.846 53.050 -0.368 0.000 0.759 108 N CB -1.735 36.535 38.487 -0.361 0.000 0.906 108 N HN 1.200 nan 8.380 nan 0.000 0.541 109 A N 0.390 123.155 122.820 -0.091 0.000 2.610 109 A HA -0.170 4.142 4.320 -0.013 0.000 0.299 109 A C 0.915 178.676 177.584 0.296 0.000 1.487 109 A CA 1.087 53.196 52.037 0.120 0.000 0.743 109 A CB -2.428 16.638 19.000 0.110 0.000 1.070 109 A HN 1.296 nan 8.150 nan 0.000 0.439 110 F N -2.761 117.160 119.950 -0.048 0.000 3.080 110 F HA -0.190 4.329 4.527 -0.014 0.000 0.292 110 F C 0.734 176.564 175.800 0.049 0.000 0.891 110 F CA 1.866 59.912 58.000 0.077 0.000 1.086 110 F CB -1.400 37.748 39.000 0.248 0.000 1.095 110 F HN 0.790 nan 8.300 nan 0.000 0.633 111 Q N 0.226 119.937 119.800 -0.150 0.000 3.449 111 Q HA 0.210 4.542 4.340 -0.013 0.000 0.272 111 Q C -2.475 173.296 176.000 -0.382 0.000 0.787 111 Q CA -1.673 54.001 55.803 -0.214 0.000 0.904 111 Q CB 1.118 29.834 28.738 -0.037 0.000 1.536 111 Q HN -0.111 nan 8.270 nan 0.000 0.387 112 P HA -0.096 nan 4.420 nan 0.000 0.260 112 P C -1.020 176.098 177.300 -0.303 0.000 1.147 112 P CA 0.809 63.594 63.100 -0.524 0.000 0.758 112 P CB 0.551 31.858 31.700 -0.655 0.000 0.744 113 A N 3.058 125.739 122.820 -0.232 0.000 2.515 113 A HA 0.663 4.975 4.320 -0.013 0.000 0.298 113 A C -0.978 176.619 177.584 0.022 0.000 1.059 113 A CA -0.402 51.599 52.037 -0.060 0.000 0.698 113 A CB 1.253 20.291 19.000 0.064 0.000 1.289 113 A HN 0.536 nan 8.150 nan 0.000 0.404 114 c N 0.655 119.297 118.600 0.069 0.000 2.707 114 c HA 0.940 5.503 4.570 -0.013 0.000 0.313 114 c C -0.399 173.700 174.090 0.015 0.000 1.209 114 c CA -0.301 56.025 56.329 -0.005 0.000 1.635 114 c CB 1.816 44.236 42.510 -0.149 0.000 2.206 114 c HN 0.998 nan 8.230 nan 0.000 0.485 115 D N -1.413 118.948 120.400 -0.064 0.000 2.664 115 D HA 0.412 5.045 4.640 -0.013 0.000 0.292 115 D C -1.441 175.020 176.300 0.269 0.000 1.214 115 D CA -0.399 53.565 54.000 -0.061 0.000 0.932 115 D CB 1.419 41.873 40.800 -0.576 0.000 1.420 115 D HN 0.724 nan 8.370 nan 0.000 0.471 116 H N 0.275 119.378 119.070 0.055 0.000 2.489 116 H HA 0.481 5.029 4.556 -0.013 0.000 0.343 116 H C -0.771 174.580 175.328 0.039 0.000 1.086 116 H CA -0.951 55.149 56.048 0.087 0.000 1.198 116 H CB 2.382 32.176 29.762 0.052 0.000 1.490 116 H HN 0.067 nan 8.280 nan 0.000 0.504 117 L N 4.050 125.266 121.223 -0.012 0.000 2.265 117 L HA 0.208 4.540 4.340 -0.013 0.000 0.289 117 L C -0.110 176.539 176.870 -0.368 0.000 1.033 117 L CA -0.618 53.975 54.840 -0.411 0.000 0.814 117 L CB 0.816 42.434 42.059 -0.735 0.000 1.203 117 L HN 0.554 nan 8.230 nan 0.000 0.423 118 N N 4.914 123.414 118.700 -0.333 0.000 2.405 118 N HA 0.083 4.815 4.740 -0.013 0.000 0.260 118 N C 0.859 176.189 175.510 -0.299 0.000 1.152 118 N CA 0.203 53.116 53.050 -0.228 0.000 0.948 118 N CB 0.648 39.043 38.487 -0.154 0.000 1.111 118 N HN 0.827 nan 8.380 nan 0.000 0.485 119 L N 2.365 123.448 121.223 -0.234 0.000 2.141 119 L HA -0.149 4.183 4.340 -0.013 0.000 0.209 119 L C 1.925 178.777 176.870 -0.031 0.000 1.094 119 L CA 1.012 55.762 54.840 -0.149 0.000 0.763 119 L CB -0.421 41.591 42.059 -0.078 0.000 0.908 119 L HN 0.509 nan 8.230 nan 0.000 0.437 120 T N -0.609 113.915 114.554 -0.050 0.000 2.674 120 T HA -0.164 4.178 4.350 -0.013 0.000 0.265 120 T C 1.945 176.611 174.700 -0.057 0.000 1.039 120 T CA 1.906 63.987 62.100 -0.032 0.000 1.150 120 T CB -0.202 68.651 68.868 -0.026 0.000 0.864 120 T HN 0.503 nan 8.240 nan 0.000 0.427 121 S N 0.167 115.823 115.700 -0.074 0.000 2.524 121 S HA 0.181 4.643 4.470 -0.013 0.000 0.216 121 S C 0.908 175.471 174.600 -0.061 0.000 0.987 121 S CA -0.365 57.793 58.200 -0.069 0.000 0.909 121 S CB -0.731 62.429 63.200 -0.066 0.000 0.781 121 S HN 0.338 nan 8.310 nan 0.000 0.521 122 F N 1.816 121.584 119.950 -0.304 0.000 3.067 122 F HA -0.179 4.340 4.527 -0.013 0.000 0.279 122 F C -0.248 175.342 175.800 -0.351 0.000 0.945 122 F CA 0.527 58.304 58.000 -0.371 0.000 0.948 122 F CB -1.035 37.690 39.000 -0.458 0.000 0.898 122 F HN 0.131 nan 8.300 nan 0.000 0.746 123 K N 0.573 120.771 120.400 -0.337 0.000 2.371 123 K HA 0.431 4.743 4.320 -0.013 0.000 0.251 123 K C -0.356 176.012 176.600 -0.386 0.000 0.934 123 K CA -0.715 55.397 56.287 -0.291 0.000 0.798 123 K CB 1.280 33.705 32.500 -0.126 0.000 1.204 123 K HN -0.015 nan 8.250 nan 0.000 0.427 124 F N 2.040 121.838 119.950 -0.254 0.000 2.471 124 F HA 0.069 4.588 4.527 -0.013 0.000 0.353 124 F C 1.938 177.590 175.800 -0.248 0.000 1.113 124 F CA -0.237 57.576 58.000 -0.312 0.000 1.262 124 F CB 0.560 39.276 39.000 -0.474 0.000 1.146 124 F HN 0.325 nan 8.300 nan 0.000 0.578 125 L N 2.958 124.179 121.223 -0.004 0.000 2.465 125 L HA 0.035 4.367 4.340 -0.013 0.000 0.224 125 L C 1.656 178.464 176.870 -0.104 0.000 1.145 125 L CA 0.791 55.596 54.840 -0.059 0.000 0.834 125 L CB -0.908 41.118 42.059 -0.054 0.000 0.944 125 L HN 1.068 nan 8.230 nan 0.000 0.451 126 G N 0.413 109.119 108.800 -0.157 0.000 2.160 126 G HA2 -0.305 3.648 3.960 -0.013 0.000 0.244 126 G HA3 -0.305 3.648 3.960 -0.013 0.000 0.244 126 G C 0.878 175.671 174.900 -0.180 0.000 1.022 126 G CA 0.548 45.527 45.100 -0.202 0.000 0.741 126 G HN 0.354 nan 8.290 nan 0.000 0.508 127 K N -0.105 120.178 120.400 -0.195 0.000 2.097 127 K HA -0.017 4.295 4.320 -0.013 0.000 0.205 127 K C 1.406 177.934 176.600 -0.120 0.000 1.050 127 K CA 0.471 56.660 56.287 -0.164 0.000 0.938 127 K CB -0.085 32.281 32.500 -0.223 0.000 0.718 127 K HN 0.437 nan 8.250 nan 0.000 0.442 128 N N 2.390 121.006 118.700 -0.141 0.000 2.667 128 N HA -0.164 4.568 4.740 -0.013 0.000 0.263 128 N C -1.344 174.158 175.510 -0.013 0.000 1.038 128 N CA 0.558 53.571 53.050 -0.060 0.000 0.749 128 N CB -0.649 37.812 38.487 -0.042 0.000 0.892 128 N HN 0.361 nan 8.380 nan 0.000 0.546 129 E N 0.222 120.426 120.200 0.008 0.000 2.374 129 E HA 0.103 4.445 4.350 -0.013 0.000 0.260 129 E C 0.039 176.658 176.600 0.032 0.000 1.101 129 E CA -0.598 55.823 56.400 0.034 0.000 0.907 129 E CB 0.849 30.604 29.700 0.092 0.000 1.014 129 E HN 0.213 nan 8.360 nan 0.000 0.427 130 D N 0.765 121.182 120.400 0.028 0.000 2.383 130 D HA 0.031 4.663 4.640 -0.013 0.000 0.252 130 D C 0.319 176.621 176.300 0.002 0.000 1.166 130 D CA 0.041 54.043 54.000 0.003 0.000 0.879 130 D CB 1.170 41.980 40.800 0.017 0.000 1.164 130 D HN 0.636 nan 8.370 nan 0.000 0.462 131 G N 3.681 112.440 108.800 -0.067 0.000 3.088 131 G HA2 -0.055 3.897 3.960 -0.013 0.000 0.217 131 G HA3 -0.055 3.897 3.960 -0.013 0.000 0.217 131 G C 0.793 175.632 174.900 -0.103 0.000 1.159 131 G CA -0.224 44.828 45.100 -0.079 0.000 0.760 131 G HN 0.371 nan 8.290 nan 0.000 0.550 132 K N 0.861 121.185 120.400 -0.126 0.000 2.472 132 K HA 0.274 4.586 4.320 -0.013 0.000 0.280 132 K C 1.326 177.936 176.600 0.016 0.000 1.028 132 K CA 1.054 57.240 56.287 -0.169 0.000 1.045 132 K CB 0.535 32.872 32.500 -0.272 0.000 0.902 132 K HN 0.276 nan 8.250 nan 0.000 0.478 133 G N 3.369 112.219 108.800 0.083 0.000 2.234 133 G HA2 -0.321 3.631 3.960 -0.013 0.000 0.235 133 G HA3 -0.321 3.631 3.960 -0.013 0.000 0.235 133 G C 0.663 175.651 174.900 0.146 0.000 0.997 133 G CA 0.411 45.676 45.100 0.275 0.000 0.623 133 G HN 0.709 nan 8.290 nan 0.000 0.514 134 R N -1.111 119.446 120.500 0.095 0.000 2.469 134 R HA 0.597 4.930 4.340 -0.013 0.000 0.250 134 R C 0.711 177.043 176.300 0.054 0.000 0.909 134 R CA 0.479 56.638 56.100 0.097 0.000 1.050 134 R CB 0.354 30.738 30.300 0.140 0.000 1.256 134 R HN 0.808 nan 8.270 nan 0.000 0.550 135 C N 2.342 121.637 119.300 -0.009 0.000 2.891 135 C HA 0.572 5.024 4.460 -0.013 0.000 0.342 135 C C -2.763 172.170 174.990 -0.095 0.000 1.126 135 C CA -2.168 56.796 59.018 -0.090 0.000 1.322 135 C CB 2.295 29.929 27.740 -0.177 0.000 1.763 135 C HN 0.229 nan 8.230 nan 0.000 0.491 136 P HA 0.265 nan 4.420 nan 0.000 0.274 136 P C 0.302 177.542 177.300 -0.099 0.000 1.256 136 P CA 0.033 63.170 63.100 0.062 0.000 0.795 136 P CB 0.654 32.440 31.700 0.144 0.000 1.038 137 F N -1.215 118.623 119.950 -0.187 0.000 2.262 137 F HA 0.047 4.566 4.527 -0.013 0.000 0.292 137 F C 1.517 176.669 175.800 -1.079 0.000 1.081 137 F CA 0.875 58.614 58.000 -0.435 0.000 1.355 137 F CB 0.161 39.046 39.000 -0.191 0.000 1.069 137 F HN 0.188 nan 8.300 nan 0.000 0.506 138 D N 0.973 120.879 120.400 -0.822 0.000 2.177 138 D HA 0.127 4.759 4.640 -0.013 0.000 0.247 138 D C -1.810 174.007 176.300 -0.805 0.000 1.063 138 D CA -2.157 51.111 54.000 -1.221 0.000 0.867 138 D CB 1.863 41.767 40.800 -1.493 0.000 1.168 138 D HN -0.092 nan 8.370 nan 0.000 0.445 139 P HA -0.073 nan 4.420 nan 0.000 0.225 139 P C 0.699 177.756 177.300 -0.405 0.000 1.148 139 P CA 0.567 63.224 63.100 -0.738 0.000 0.779 139 P CB 0.323 31.179 31.700 -1.407 0.000 0.780 140 A N -1.332 121.281 122.820 -0.344 0.000 2.132 140 A HA -0.002 4.310 4.320 -0.013 0.000 0.213 140 A C 0.935 178.557 177.584 0.063 0.000 1.154 140 A CA 0.014 51.980 52.037 -0.119 0.000 0.753 140 A CB -1.271 17.675 19.000 -0.090 0.000 0.826 140 A HN 0.278 nan 8.150 nan 0.000 0.469 141 H N 0.894 119.974 119.070 0.017 0.000 2.790 141 H HA 0.293 4.841 4.556 -0.014 0.000 0.358 141 H C 0.811 176.286 175.328 0.246 0.000 1.103 141 H CA 0.028 56.139 56.048 0.106 0.000 1.426 141 H CB 0.753 30.565 29.762 0.084 0.000 1.424 141 H HN 0.421 nan 8.280 nan 0.000 0.599 142 S N 2.690 118.623 115.700 0.388 0.000 2.592 142 S HA 0.343 4.805 4.470 -0.013 0.000 0.271 142 S C -0.744 174.163 174.600 0.512 0.000 1.326 142 S CA -0.579 57.837 58.200 0.360 0.000 1.024 142 S CB 0.420 63.775 63.200 0.259 0.000 0.921 142 S HN 0.695 nan 8.310 nan 0.000 0.527 143 Y N -2.158 118.324 120.300 0.303 0.000 2.656 143 Y HA 0.803 5.346 4.550 -0.011 0.000 0.334 143 Y C -0.554 175.491 175.900 0.241 0.000 1.179 143 Y CA -0.958 57.277 58.100 0.226 0.000 1.050 143 Y CB 1.215 39.755 38.460 0.133 0.000 1.308 143 Y HN 0.835 nan 8.280 nan 0.000 0.456 144 T N 1.019 115.703 114.554 0.216 0.000 2.830 144 T HA 0.708 5.050 4.350 -0.013 0.000 0.322 144 T C -1.752 173.076 174.700 0.214 0.000 1.501 144 T CA 0.035 62.247 62.100 0.186 0.000 1.036 144 T CB 1.243 70.254 68.868 0.239 0.000 1.379 144 T HN 1.718 nan 8.240 nan 0.000 0.493 145 S N 1.079 116.871 115.700 0.153 0.000 2.565 145 S HA 0.734 5.196 4.470 -0.013 0.000 0.274 145 S C -1.830 172.803 174.600 0.054 0.000 1.144 145 S CA -0.623 57.674 58.200 0.161 0.000 0.849 145 S CB 1.376 64.707 63.200 0.219 0.000 1.103 145 S HN 1.382 nan 8.310 nan 0.000 0.455 146 V N 2.560 122.516 119.914 0.070 0.000 2.752 146 V HA 0.713 4.825 4.120 -0.013 0.000 0.302 146 V C -1.313 174.842 176.094 0.101 0.000 1.133 146 V CA -0.597 61.704 62.300 0.000 0.000 0.919 146 V CB 1.924 33.630 31.823 -0.194 0.000 1.026 146 V HN 1.162 nan 8.190 nan 0.000 0.429 147 M N 7.698 127.354 119.600 0.093 0.000 2.143 147 M HA 0.542 5.014 4.480 -0.013 0.000 0.348 147 M C -1.094 175.247 176.300 0.068 0.000 1.375 147 M CA 0.246 55.613 55.300 0.112 0.000 1.124 147 M CB 0.736 33.390 32.600 0.090 0.000 1.669 147 M HN 0.436 nan 8.290 nan 0.000 0.469 148 V N 5.739 125.722 119.914 0.114 0.000 2.349 148 V HA 0.322 4.434 4.120 -0.013 0.000 0.284 148 V C -0.493 175.666 176.094 0.109 0.000 1.014 148 V CA -0.812 61.515 62.300 0.045 0.000 0.826 148 V CB 1.120 32.858 31.823 -0.140 0.000 1.009 148 V HN 0.893 nan 8.190 nan 0.000 0.431 149 D N 4.245 124.680 120.400 0.058 0.000 2.689 149 D HA -0.184 4.448 4.640 -0.013 0.000 0.237 149 D C 1.395 177.726 176.300 0.052 0.000 1.148 149 D CA 1.841 55.872 54.000 0.052 0.000 0.656 149 D CB -1.157 39.679 40.800 0.060 0.000 1.050 149 D HN 1.409 nan 8.370 nan 0.000 0.426 150 G N -1.148 107.673 108.800 0.035 0.000 2.184 150 G HA2 -0.338 3.614 3.960 -0.013 0.000 0.264 150 G HA3 -0.338 3.614 3.960 -0.013 0.000 0.264 150 G C 0.008 174.907 174.900 -0.001 0.000 0.975 150 G CA 0.467 45.565 45.100 -0.003 0.000 0.642 150 G HN 0.390 nan 8.290 nan 0.000 0.536 151 E N -0.327 119.926 120.200 0.089 0.000 2.151 151 E HA 0.572 4.915 4.350 -0.013 0.000 0.275 151 E C -0.282 176.440 176.600 0.203 0.000 0.936 151 E CA -0.988 55.477 56.400 0.109 0.000 0.777 151 E CB 1.749 31.557 29.700 0.180 0.000 1.108 151 E HN 0.234 nan 8.360 nan 0.000 0.401 152 L N 4.359 125.638 121.223 0.094 0.000 2.278 152 L HA 0.234 4.566 4.340 -0.013 0.000 0.287 152 L C -1.171 175.837 176.870 0.231 0.000 1.072 152 L CA -0.183 54.774 54.840 0.194 0.000 0.819 152 L CB -0.077 42.076 42.059 0.158 0.000 1.176 152 L HN 0.386 nan 8.230 nan 0.000 0.435 153 Y N 3.693 124.108 120.300 0.192 0.000 2.341 153 Y HA 0.503 5.045 4.550 -0.013 0.000 0.340 153 Y C 0.655 176.768 175.900 0.354 0.000 0.997 153 Y CA -0.114 58.173 58.100 0.311 0.000 1.149 153 Y CB 1.572 40.242 38.460 0.350 0.000 1.171 153 Y HN 0.587 nan 8.280 nan 0.000 0.494 154 S N 1.535 117.466 115.700 0.386 0.000 2.600 154 S HA 0.824 5.286 4.470 -0.013 0.000 0.300 154 S C -0.406 174.202 174.600 0.013 0.000 1.087 154 S CA -0.842 57.511 58.200 0.255 0.000 0.965 154 S CB 1.877 65.164 63.200 0.146 0.000 1.089 154 S HN 0.820 nan 8.310 nan 0.000 0.496 155 G N 0.582 109.283 108.800 -0.163 0.000 2.737 155 G HA2 0.607 4.559 3.960 -0.013 0.000 0.290 155 G HA3 0.607 4.559 3.960 -0.013 0.000 0.290 155 G C -0.798 173.425 174.900 -1.129 0.000 1.482 155 G CA -0.310 44.174 45.100 -1.026 0.000 1.017 155 G HN 0.707 nan 8.290 nan 0.000 0.529 156 T N -0.155 113.912 114.554 -0.812 0.000 2.648 156 T HA 0.537 4.880 4.350 -0.013 0.000 0.300 156 T C -0.780 174.034 174.700 0.191 0.000 1.751 156 T CA 0.117 62.174 62.100 -0.073 0.000 0.959 156 T CB 0.977 69.900 68.868 0.090 0.000 1.888 156 T HN 1.134 nan 8.240 nan 0.000 0.480 157 S N 0.182 116.031 115.700 0.248 0.000 2.537 157 S HA 0.399 4.861 4.470 -0.013 0.000 0.275 157 S C 0.250 175.005 174.600 0.257 0.000 1.272 157 S CA -0.314 58.012 58.200 0.211 0.000 1.050 157 S CB 0.711 63.941 63.200 0.050 0.000 0.961 157 S HN 0.670 nan 8.310 nan 0.000 0.496 158 Y N 4.700 125.095 120.300 0.158 0.000 2.544 158 Y HA 0.167 4.708 4.550 -0.014 0.000 0.286 158 Y C 0.585 176.571 175.900 0.143 0.000 1.141 158 Y CA 0.717 58.935 58.100 0.197 0.000 1.299 158 Y CB 0.041 38.629 38.460 0.215 0.000 1.030 158 Y HN 0.894 nan 8.280 nan 0.000 0.543 159 N N -2.841 115.815 118.700 -0.073 0.000 2.701 159 N HA 0.078 4.810 4.740 -0.013 0.000 0.290 159 N C 0.314 175.346 175.510 -0.797 0.000 1.338 159 N CA -0.677 52.065 53.050 -0.515 0.000 0.799 159 N CB -0.475 37.895 38.487 -0.196 0.000 1.491 159 N HN -0.050 nan 8.380 nan 0.000 0.540 160 F N -0.087 119.192 119.950 -1.118 0.000 2.161 160 F HA 0.108 4.628 4.527 -0.012 0.000 0.300 160 F C 1.323 177.135 175.800 0.021 0.000 1.089 160 F CA 1.255 58.943 58.000 -0.520 0.000 1.282 160 F CB 0.053 38.885 39.000 -0.279 0.000 1.010 160 F HN 0.388 nan 8.300 nan 0.000 0.485 161 L N -0.448 120.899 121.223 0.206 0.000 2.395 161 L HA 0.141 4.474 4.340 -0.013 0.000 0.218 161 L C 1.951 178.818 176.870 -0.006 0.000 1.130 161 L CA 0.794 55.743 54.840 0.181 0.000 0.826 161 L CB -0.995 41.130 42.059 0.111 0.000 0.941 161 L HN 0.439 nan 8.230 nan 0.000 0.451 162 G N -0.122 108.540 108.800 -0.229 0.000 2.176 162 G HA2 -0.270 3.682 3.960 -0.013 0.000 0.232 162 G HA3 -0.270 3.682 3.960 -0.013 0.000 0.232 162 G C 0.388 175.136 174.900 -0.254 0.000 0.986 162 G CA 0.316 44.987 45.100 -0.716 0.000 0.643 162 G HN 0.453 nan 8.290 nan 0.000 0.522 163 S N -0.618 115.026 115.700 -0.094 0.000 2.690 163 S HA 0.694 5.156 4.470 -0.013 0.000 0.285 163 S C 0.390 175.028 174.600 0.065 0.000 1.135 163 S CA 0.426 58.622 58.200 -0.008 0.000 1.020 163 S CB 1.240 64.442 63.200 0.004 0.000 1.159 163 S HN 0.945 nan 8.310 nan 0.000 0.534 164 E N 0.793 121.059 120.200 0.110 0.000 2.260 164 E HA -0.098 4.245 4.350 -0.013 0.000 0.204 164 E C -2.546 174.241 176.600 0.311 0.000 1.319 164 E CA 0.125 56.665 56.400 0.233 0.000 0.679 164 E CB -1.378 28.430 29.700 0.181 0.000 1.158 164 E HN 0.527 nan 8.360 nan 0.000 0.376 165 P HA 0.197 nan 4.420 nan 0.000 0.268 165 P C -0.139 177.236 177.300 0.125 0.000 1.205 165 P CA 0.385 63.615 63.100 0.218 0.000 0.771 165 P CB 0.869 32.655 31.700 0.144 0.000 0.858 166 I N 2.271 122.897 120.570 0.093 0.000 2.680 166 I HA 0.395 4.557 4.170 -0.013 0.000 0.291 166 I C -1.443 174.553 176.117 -0.201 0.000 1.244 166 I CA -1.187 60.054 61.300 -0.099 0.000 1.042 166 I CB 1.654 39.618 38.000 -0.060 0.000 1.277 166 I HN 0.148 nan 8.210 nan 0.000 0.423 167 I N 7.215 127.626 120.570 -0.264 0.000 2.359 167 I HA 0.382 4.544 4.170 -0.013 0.000 0.284 167 I C -0.395 175.687 176.117 -0.058 0.000 1.018 167 I CA -0.136 60.917 61.300 -0.411 0.000 1.173 167 I CB 1.519 39.111 38.000 -0.680 0.000 1.326 167 I HN 0.659 nan 8.210 nan 0.000 0.462 168 S N 6.473 122.183 115.700 0.017 0.000 2.569 168 S HA 0.635 5.097 4.470 -0.013 0.000 0.280 168 S C -0.751 173.936 174.600 0.145 0.000 1.111 168 S CA -0.989 57.309 58.200 0.162 0.000 0.887 168 S CB 2.508 65.709 63.200 0.001 0.000 1.095 168 S HN 0.668 nan 8.310 nan 0.000 0.476 169 R N 1.955 122.485 120.500 0.049 0.000 2.310 169 R HA 0.396 4.728 4.340 -0.013 0.000 0.324 169 R C -1.326 174.859 176.300 -0.193 0.000 0.955 169 R CA -0.447 55.521 56.100 -0.221 0.000 0.830 169 R CB 0.677 30.671 30.300 -0.510 0.000 1.154 169 R HN 0.727 nan 8.270 nan 0.000 0.458 170 N N 2.496 121.130 118.700 -0.110 0.000 2.437 170 N HA 0.217 4.949 4.740 -0.013 0.000 0.259 170 N C -1.550 173.917 175.510 -0.072 0.000 0.983 170 N CA -0.071 52.934 53.050 -0.076 0.000 0.937 170 N CB 1.718 40.201 38.487 -0.007 0.000 1.122 170 N HN 0.762 nan 8.380 nan 0.000 0.499 171 S N 1.165 116.822 115.700 -0.073 0.000 2.661 171 S HA 0.424 4.887 4.470 -0.013 0.000 0.285 171 S C 0.814 175.405 174.600 -0.015 0.000 1.138 171 S CA -0.670 57.508 58.200 -0.038 0.000 0.855 171 S CB 1.463 64.646 63.200 -0.028 0.000 1.136 171 S HN 0.306 nan 8.310 nan 0.000 0.484 172 S N -0.036 115.676 115.700 0.020 0.000 2.387 172 S HA -0.002 4.460 4.470 -0.013 0.000 0.226 172 S C 1.241 175.844 174.600 0.005 0.000 1.026 172 S CA 1.232 59.443 58.200 0.018 0.000 0.972 172 S CB -0.552 62.678 63.200 0.049 0.000 0.814 172 S HN 0.756 nan 8.310 nan 0.000 0.477 173 H N 0.886 119.933 119.070 -0.038 0.000 2.298 173 H HA 0.303 4.851 4.556 -0.013 0.000 0.318 173 H C 0.570 175.863 175.328 -0.058 0.000 1.064 173 H CA 1.140 57.166 56.048 -0.038 0.000 1.415 173 H CB -0.018 29.730 29.762 -0.023 0.000 1.453 173 H HN 0.134 nan 8.280 nan 0.000 0.546 174 S N 2.750 118.501 115.700 0.084 0.000 2.567 174 S HA 0.223 4.685 4.470 -0.013 0.000 0.262 174 S C -2.678 171.842 174.600 -0.134 0.000 1.237 174 S CA -1.279 56.900 58.200 -0.035 0.000 1.093 174 S CB 0.632 63.823 63.200 -0.016 0.000 1.095 174 S HN 0.226 nan 8.310 nan 0.000 0.489 175 P HA 0.304 nan 4.420 nan 0.000 0.284 175 P C -0.810 176.295 177.300 -0.325 0.000 1.343 175 P CA -0.265 62.708 63.100 -0.212 0.000 0.826 175 P CB 0.528 32.144 31.700 -0.140 0.000 0.956 176 L N 4.519 125.423 121.223 -0.531 0.000 2.313 176 L HA 0.742 5.074 4.340 -0.013 0.000 0.268 176 L C 0.968 177.375 176.870 -0.771 0.000 1.010 176 L CA -1.000 53.352 54.840 -0.813 0.000 0.814 176 L CB 1.789 42.990 42.059 -1.430 0.000 1.304 176 L HN 0.400 nan 8.230 nan 0.000 0.441 177 R N -1.322 118.730 120.500 -0.746 0.000 2.747 177 R HA 0.579 4.911 4.340 -0.013 0.000 0.272 177 R C -1.232 174.913 176.300 -0.259 0.000 1.032 177 R CA -0.793 55.091 56.100 -0.361 0.000 0.896 177 R CB 1.278 31.387 30.300 -0.317 0.000 1.253 177 R HN 0.597 nan 8.270 nan 0.000 0.461 178 T N -0.930 113.528 114.554 -0.159 0.000 2.874 178 T HA 0.291 4.634 4.350 -0.013 0.000 0.281 178 T C -0.019 174.184 174.700 -0.828 0.000 0.994 178 T CA -0.928 60.981 62.100 -0.318 0.000 1.015 178 T CB 1.018 69.719 68.868 -0.279 0.000 1.028 178 T HN 0.455 nan 8.240 nan 0.000 0.523 179 E N 0.500 119.849 120.200 -1.418 0.000 2.366 179 E HA 0.099 4.441 4.350 -0.013 0.000 0.266 179 E C -0.793 175.320 176.600 -0.812 0.000 1.051 179 E CA -0.095 55.581 56.400 -1.206 0.000 0.884 179 E CB 0.587 29.264 29.700 -1.705 0.000 1.006 179 E HN 0.670 nan 8.360 nan 0.000 0.417 180 Y N 0.944 121.009 120.300 -0.392 0.000 2.570 180 Y HA 0.299 4.841 4.550 -0.014 0.000 0.336 180 Y C 0.363 176.158 175.900 -0.174 0.000 1.284 180 Y CA -0.279 57.684 58.100 -0.229 0.000 1.761 180 Y CB 0.314 38.667 38.460 -0.178 0.000 1.724 180 Y HN 0.342 nan 8.280 nan 0.000 0.455 181 A N 1.439 124.225 122.820 -0.056 0.000 2.488 181 A HA 0.438 4.750 4.320 -0.013 0.000 0.295 181 A C 0.288 177.962 177.584 0.149 0.000 1.045 181 A CA -0.621 51.443 52.037 0.044 0.000 0.703 181 A CB 0.654 19.662 19.000 0.014 0.000 1.271 181 A HN 0.355 nan 8.150 nan 0.000 0.400 182 I N 1.974 122.632 120.570 0.147 0.000 2.181 182 I HA -0.156 4.007 4.170 -0.013 0.000 0.247 182 I C -0.634 175.586 176.117 0.171 0.000 1.081 182 I CA 1.679 63.067 61.300 0.147 0.000 1.340 182 I CB -1.644 36.441 38.000 0.141 0.000 1.036 182 I HN 0.488 nan 8.210 nan 0.000 0.417 183 P HA -0.154 nan 4.420 nan 0.000 0.222 183 P C 1.349 178.779 177.300 0.217 0.000 1.147 183 P CA 1.326 64.561 63.100 0.225 0.000 0.790 183 P CB -0.095 31.887 31.700 0.469 0.000 0.780 184 W N -0.674 120.659 121.300 0.055 0.000 2.539 184 W HA 0.242 4.894 4.660 -0.014 0.000 0.299 184 W C 0.673 177.226 176.519 0.057 0.000 1.165 184 W CA 0.723 58.111 57.345 0.072 0.000 1.400 184 W CB -0.314 29.091 29.460 -0.093 0.000 1.123 184 W HN -0.274 nan 8.180 nan 0.000 0.533 185 L N 1.337 122.694 121.223 0.223 0.000 2.476 185 L HA 0.287 4.619 4.340 -0.013 0.000 0.269 185 L C -0.786 176.122 176.870 0.063 0.000 0.965 185 L CA -0.632 54.255 54.840 0.078 0.000 0.845 185 L CB 1.536 43.574 42.059 -0.036 0.000 1.259 185 L HN -0.250 nan 8.230 nan 0.000 0.403 186 N N 3.472 122.204 118.700 0.054 0.000 2.800 186 N HA 0.198 4.930 4.740 -0.013 0.000 0.240 186 N C -0.638 174.890 175.510 0.030 0.000 1.096 186 N CA -0.267 52.812 53.050 0.048 0.000 0.877 186 N CB 0.464 38.978 38.487 0.046 0.000 1.138 186 N HN 0.568 nan 8.380 nan 0.000 0.509 187 E N 0.420 120.627 120.200 0.011 0.000 2.222 187 E HA -0.178 4.164 4.350 -0.013 0.000 0.189 187 E C -2.329 174.244 176.600 -0.044 0.000 1.415 187 E CA 0.167 56.564 56.400 -0.005 0.000 0.689 187 E CB -0.746 28.967 29.700 0.022 0.000 1.107 187 E HN 0.514 nan 8.360 nan 0.000 0.350 188 P HA 0.180 nan 4.420 nan 0.000 0.281 188 P C -0.659 176.424 177.300 -0.362 0.000 1.249 188 P CA -0.467 62.462 63.100 -0.285 0.000 0.810 188 P CB 1.482 32.740 31.700 -0.737 0.000 1.008 189 S N 1.472 117.044 115.700 -0.212 0.000 2.594 189 S HA 0.434 4.896 4.470 -0.013 0.000 0.322 189 S C -0.353 174.212 174.600 -0.058 0.000 1.085 189 S CA -0.327 57.820 58.200 -0.089 0.000 1.116 189 S CB -0.430 62.795 63.200 0.042 0.000 0.979 189 S HN 0.203 nan 8.310 nan 0.000 0.465 190 F N 1.909 121.975 119.950 0.193 0.000 2.484 190 F HA 0.193 4.714 4.527 -0.009 0.000 0.360 190 F C 1.350 177.269 175.800 0.198 0.000 1.101 190 F CA -0.093 58.056 58.000 0.249 0.000 1.251 190 F CB 0.524 39.646 39.000 0.204 0.000 1.132 190 F HN 0.318 nan 8.300 nan 0.000 0.570 191 V N 2.092 122.282 119.914 0.460 0.000 2.996 191 V HA 0.227 4.339 4.120 -0.013 0.000 0.235 191 V C -0.597 175.732 176.094 0.392 0.000 1.205 191 V CA 0.180 62.671 62.300 0.317 0.000 1.225 191 V CB 0.412 32.386 31.823 0.252 0.000 0.995 191 V HN 0.603 nan 8.190 nan 0.000 0.484 192 F N -0.514 119.604 119.950 0.279 0.000 2.686 192 F HA 0.803 5.322 4.527 -0.013 0.000 0.311 192 F C -1.104 174.847 175.800 0.251 0.000 1.128 192 F CA -0.540 57.572 58.000 0.187 0.000 0.946 192 F CB 1.729 40.744 39.000 0.024 0.000 1.336 192 F HN -0.012 nan 8.300 nan 0.000 0.457 193 A N 3.216 125.532 122.820 -0.840 0.000 2.513 193 A HA 0.628 4.940 4.320 -0.013 0.000 0.296 193 A C -2.161 174.771 177.584 -1.087 0.000 1.052 193 A CA -0.374 51.118 52.037 -0.908 0.000 0.714 193 A CB 1.606 19.901 19.000 -1.175 0.000 1.279 193 A HN 0.727 nan 8.150 nan 0.000 0.397 194 D N -0.039 119.981 120.400 -0.633 0.000 2.599 194 D HA 0.506 5.138 4.640 -0.013 0.000 0.252 194 D C -0.991 175.241 176.300 -0.113 0.000 1.232 194 D CA 0.170 53.953 54.000 -0.362 0.000 0.819 194 D CB 2.325 43.020 40.800 -0.175 0.000 1.401 194 D HN 1.113 nan 8.370 nan 0.000 0.429 195 V N 0.190 120.054 119.914 -0.083 0.000 2.481 195 V HA 0.648 4.760 4.120 -0.013 0.000 0.286 195 V C -0.683 175.449 176.094 0.064 0.000 1.042 195 V CA -0.435 61.846 62.300 -0.032 0.000 0.928 195 V CB 1.320 33.081 31.823 -0.103 0.000 0.986 195 V HN 0.421 nan 8.190 nan 0.000 0.462 196 I N 6.649 127.308 120.570 0.148 0.000 2.428 196 I HA 0.467 4.629 4.170 -0.013 0.000 0.279 196 I C 0.878 177.050 176.117 0.093 0.000 1.040 196 I CA -0.191 61.186 61.300 0.129 0.000 1.171 196 I CB 1.046 39.178 38.000 0.221 0.000 1.312 196 I HN 0.968 nan 8.210 nan 0.000 0.470 197 R N 4.234 124.759 120.500 0.042 0.000 2.009 197 R HA 0.273 4.605 4.340 -0.013 0.000 0.206 197 R C 1.220 177.537 176.300 0.028 0.000 1.356 197 R CA -0.216 55.904 56.100 0.032 0.000 1.088 197 R CB -0.155 30.154 30.300 0.015 0.000 0.959 197 R HN 0.092 nan 8.270 nan 0.000 0.469 198 K N 0.740 121.149 120.400 0.015 0.000 2.331 198 K HA -0.257 4.055 4.320 -0.013 0.000 0.159 198 K C -0.422 176.188 176.600 0.016 0.000 0.830 198 K CA 2.165 58.458 56.287 0.011 0.000 0.383 198 K CB -1.722 30.782 32.500 0.006 0.000 0.742 198 K HN 0.422 nan 8.250 nan 0.000 0.782 199 S N 0.484 116.195 115.700 0.019 0.000 2.541 199 S HA 0.732 5.194 4.470 -0.013 0.000 0.271 199 S C -2.780 171.836 174.600 0.028 0.000 1.133 199 S CA -0.853 57.360 58.200 0.022 0.000 0.876 199 S CB 1.607 64.817 63.200 0.017 0.000 1.105 199 S HN 0.336 nan 8.310 nan 0.000 0.470 206 E N 0.902 121.124 120.200 0.036 0.000 2.227 206 E HA 0.283 4.625 4.350 -0.013 0.000 0.282 206 E C -0.483 176.140 176.600 0.039 0.000 1.015 206 E CA -0.571 55.853 56.400 0.039 0.000 0.823 206 E CB 1.535 31.259 29.700 0.040 0.000 1.081 206 E HN 0.361 nan 8.360 nan 0.000 0.396 207 D N 2.098 122.523 120.400 0.042 0.000 2.377 207 D HA 0.059 4.691 4.640 -0.013 0.000 0.245 207 D C -0.736 175.589 176.300 0.040 0.000 1.196 207 D CA -0.070 53.956 54.000 0.044 0.000 0.962 207 D CB 0.821 41.651 40.800 0.050 0.000 1.127 207 D HN 0.228 nan 8.370 nan 0.000 0.471 208 D N 0.408 120.830 120.400 0.038 0.000 2.229 208 D HA 0.348 4.980 4.640 -0.013 0.000 0.249 208 D C -0.060 176.247 176.300 0.011 0.000 1.027 208 D CA -0.284 53.734 54.000 0.031 0.000 0.923 208 D CB 0.964 41.774 40.800 0.018 0.000 1.174 208 D HN 0.259 nan 8.370 nan 0.000 0.443 209 R N 0.407 120.916 120.500 0.014 0.000 2.589 209 R HA 0.583 4.915 4.340 -0.013 0.000 0.293 209 R C -0.904 175.346 176.300 -0.084 0.000 0.963 209 R CA -1.017 55.037 56.100 -0.077 0.000 0.905 209 R CB 1.595 31.816 30.300 -0.133 0.000 1.144 209 R HN 0.119 nan 8.270 nan 0.000 0.459 210 V N 3.706 123.493 119.914 -0.211 0.000 2.347 210 V HA 0.272 4.384 4.120 -0.013 0.000 0.280 210 V C -0.700 175.266 176.094 -0.213 0.000 1.021 210 V CA -0.757 61.412 62.300 -0.218 0.000 0.847 210 V CB 0.432 32.024 31.823 -0.386 0.000 0.990 210 V HN 0.575 nan 8.190 nan 0.000 0.444 211 Y N 4.173 124.375 120.300 -0.163 0.000 2.310 211 Y HA 0.593 5.135 4.550 -0.014 0.000 0.326 211 Y C -0.151 175.568 175.900 -0.301 0.000 1.151 211 Y CA -0.149 57.844 58.100 -0.179 0.000 1.195 211 Y CB 1.348 39.760 38.460 -0.080 0.000 1.210 211 Y HN 0.505 nan 8.280 nan 0.000 0.483 212 F N 2.684 122.563 119.950 -0.118 0.000 2.520 212 F HA 0.540 5.059 4.527 -0.015 0.000 0.322 212 F C -1.087 174.670 175.800 -0.072 0.000 1.103 212 F CA -0.985 57.079 58.000 0.106 0.000 0.926 212 F CB 1.245 40.397 39.000 0.253 0.000 1.154 212 F HN 0.244 nan 8.300 nan 0.000 0.453 213 F N 3.914 124.150 119.950 0.475 0.000 2.520 213 F HA 0.717 5.234 4.527 -0.015 0.000 0.322 213 F C -0.608 175.451 175.800 0.431 0.000 1.103 213 F CA -1.023 57.127 58.000 0.250 0.000 0.926 213 F CB 1.686 40.772 39.000 0.143 0.000 1.154 213 F HN 0.333 nan 8.300 nan 0.000 0.453 214 F N -1.469 118.633 119.950 0.254 0.000 2.807 214 F HA 0.711 5.230 4.527 -0.013 0.000 0.316 214 F C -1.331 174.501 175.800 0.053 0.000 1.162 214 F CA -1.159 56.906 58.000 0.108 0.000 0.910 214 F CB 1.081 40.032 39.000 -0.082 0.000 1.314 214 F HN 0.185 nan 8.300 nan 0.000 0.454 215 T N 0.934 115.615 114.554 0.211 0.000 2.823 215 T HA 0.610 4.952 4.350 -0.013 0.000 0.279 215 T C -1.001 173.809 174.700 0.184 0.000 0.998 215 T CA -0.600 61.581 62.100 0.135 0.000 0.994 215 T CB 1.600 70.542 68.868 0.124 0.000 0.960 215 T HN 0.846 nan 8.240 nan 0.000 0.448 216 E N 0.478 120.772 120.200 0.158 0.000 2.449 216 E HA 0.582 4.925 4.350 -0.013 0.000 0.278 216 E C -1.484 175.175 176.600 0.099 0.000 0.992 216 E CA -1.095 55.390 56.400 0.142 0.000 0.807 216 E CB 0.996 30.835 29.700 0.231 0.000 1.350 216 E HN 0.241 nan 8.360 nan 0.000 0.462 217 V N 1.859 121.820 119.914 0.079 0.000 2.521 217 V HA 0.110 4.222 4.120 -0.013 0.000 0.286 217 V C 0.439 176.564 176.094 0.051 0.000 1.034 217 V CA -0.079 62.267 62.300 0.077 0.000 1.045 217 V CB 0.948 32.815 31.823 0.073 0.000 0.974 217 V HN 0.680 nan 8.190 nan 0.000 0.480 218 S N 3.735 119.473 115.700 0.063 0.000 2.549 218 S HA 0.177 4.639 4.470 -0.013 0.000 0.279 218 S C 0.920 175.500 174.600 -0.033 0.000 1.321 218 S CA -0.251 57.950 58.200 0.002 0.000 1.054 218 S CB 1.208 64.465 63.200 0.094 0.000 0.899 218 S HN 0.794 nan 8.310 nan 0.000 0.497 219 V N 2.751 122.563 119.914 -0.170 0.000 3.565 219 V HA 0.252 4.364 4.120 -0.013 0.000 0.260 219 V C 1.745 177.783 176.094 -0.094 0.000 1.231 219 V CA 0.862 63.068 62.300 -0.157 0.000 1.100 219 V CB -0.427 31.122 31.823 -0.457 0.000 0.807 219 V HN 0.909 nan 8.190 nan 0.000 0.454 220 E N -0.649 119.418 120.200 -0.222 0.000 2.472 220 E HA 0.047 4.389 4.350 -0.013 0.000 0.196 220 E C -0.477 176.018 176.600 -0.176 0.000 1.033 220 E CA -0.114 56.167 56.400 -0.198 0.000 0.886 220 E CB 0.090 29.555 29.700 -0.391 0.000 0.944 220 E HN 0.615 nan 8.360 nan 0.000 0.492 221 Y N 0.919 121.241 120.300 0.035 0.000 2.446 221 Y HA 0.479 5.029 4.550 -0.001 0.000 0.345 221 Y C 0.187 176.125 175.900 0.062 0.000 0.984 221 Y CA -1.563 56.558 58.100 0.034 0.000 1.058 221 Y CB 1.703 40.166 38.460 0.004 0.000 1.220 221 Y HN -0.135 nan 8.280 nan 0.000 0.455 222 E N 2.575 122.930 120.200 0.258 0.000 2.248 222 E HA 0.459 4.802 4.350 -0.013 0.000 0.267 222 E C -1.483 175.276 176.600 0.264 0.000 0.877 222 E CA -0.364 56.155 56.400 0.198 0.000 0.759 222 E CB 2.957 32.736 29.700 0.131 0.000 1.182 222 E HN 0.460 nan 8.360 nan 0.000 0.418 223 F N 1.192 121.146 119.950 0.006 0.000 3.168 223 F HA 0.216 4.720 4.527 -0.039 0.000 0.330 223 F C 0.947 176.669 175.800 -0.131 0.000 1.220 223 F CA -0.732 57.226 58.000 -0.070 0.000 0.960 223 F CB 0.286 39.237 39.000 -0.081 0.000 1.501 223 F HN 0.186 nan 8.300 nan 0.000 0.521 224 V N 1.197 120.503 119.914 -1.014 0.000 2.287 224 V HA -0.190 3.923 4.120 -0.013 0.000 0.248 224 V C 0.425 176.220 176.094 -0.500 0.000 1.053 224 V CA 2.411 64.166 62.300 -0.909 0.000 1.027 224 V CB -0.893 30.093 31.823 -1.395 0.000 0.646 224 V HN 0.441 nan 8.190 nan 0.000 0.447 225 F N -2.840 117.058 119.950 -0.086 0.000 2.691 225 F HA 0.638 5.138 4.527 -0.046 0.000 0.334 225 F C 0.150 176.010 175.800 0.100 0.000 1.107 225 F CA -1.900 56.109 58.000 0.015 0.000 0.991 225 F CB 0.514 39.521 39.000 0.012 0.000 1.400 225 F HN -0.397 nan 8.300 nan 0.000 0.503 226 R N 1.497 122.224 120.500 0.379 0.000 2.504 226 R HA 0.225 4.557 4.340 -0.013 0.000 0.291 226 R C -0.493 175.987 176.300 0.299 0.000 0.974 226 R CA -0.133 56.125 56.100 0.263 0.000 1.077 226 R CB 0.680 31.079 30.300 0.165 0.000 0.926 226 R HN 0.619 nan 8.270 nan 0.000 0.407 227 V N 5.373 125.445 119.914 0.263 0.000 2.407 227 V HA 0.312 4.424 4.120 -0.013 0.000 0.278 227 V C 0.119 176.320 176.094 0.178 0.000 1.037 227 V CA -0.675 61.766 62.300 0.235 0.000 0.900 227 V CB 0.954 32.897 31.823 0.200 0.000 0.983 227 V HN 0.569 nan 8.190 nan 0.000 0.459 228 L N 6.294 127.609 121.223 0.153 0.000 2.418 228 L HA 0.589 4.921 4.340 -0.013 0.000 0.265 228 L C -0.260 176.690 176.870 0.134 0.000 1.143 228 L CA -0.339 54.579 54.840 0.130 0.000 0.809 228 L CB 1.529 43.659 42.059 0.118 0.000 1.124 228 L HN 0.705 nan 8.230 nan 0.000 0.456 229 I N 3.523 124.166 120.570 0.122 0.000 2.692 229 I HA 0.438 4.601 4.170 -0.013 0.000 0.293 229 I C -2.624 173.538 176.117 0.075 0.000 1.200 229 I CA -1.999 59.371 61.300 0.117 0.000 1.036 229 I CB 2.704 40.783 38.000 0.130 0.000 1.258 229 I HN 0.237 nan 8.210 nan 0.000 0.421 230 P HA 0.432 nan 4.420 nan 0.000 0.278 230 P C -1.398 175.834 177.300 -0.113 0.000 1.238 230 P CA -0.509 62.625 63.100 0.057 0.000 0.794 230 P CB 0.652 32.522 31.700 0.284 0.000 0.955 231 R N 2.168 122.444 120.500 -0.372 0.000 2.686 231 R HA 0.609 4.941 4.340 -0.013 0.000 0.286 231 R C -0.636 175.310 176.300 -0.590 0.000 0.969 231 R CA -0.954 54.806 56.100 -0.567 0.000 0.898 231 R CB 2.207 31.899 30.300 -1.014 0.000 1.183 231 R HN 0.564 nan 8.270 nan 0.000 0.456 232 I N 0.927 121.241 120.570 -0.428 0.000 2.378 232 I HA 0.649 4.811 4.170 -0.013 0.000 0.291 232 I C -0.958 174.983 176.117 -0.294 0.000 0.992 232 I CA -0.317 60.664 61.300 -0.531 0.000 1.154 232 I CB 1.411 39.207 38.000 -0.341 0.000 1.315 232 I HN 0.755 nan 8.210 nan 0.000 0.448 233 A N 6.648 129.242 122.820 -0.376 0.000 2.527 233 A HA 1.007 5.319 4.320 -0.013 0.000 0.293 233 A C -1.249 176.014 177.584 -0.535 0.000 1.117 233 A CA -0.832 50.981 52.037 -0.373 0.000 0.723 233 A CB 1.692 20.610 19.000 -0.136 0.000 1.313 233 A HN 0.809 nan 8.150 nan 0.000 0.411 234 R N -1.175 118.827 120.500 -0.829 0.000 2.663 234 R HA 0.706 5.038 4.340 -0.013 0.000 0.267 234 R C -1.067 174.840 176.300 -0.654 0.000 1.038 234 R CA -0.533 55.062 56.100 -0.841 0.000 0.886 234 R CB 1.058 30.472 30.300 -1.476 0.000 1.249 234 R HN 1.359 nan 8.270 nan 0.000 0.463 235 V N -2.574 117.061 119.914 -0.466 0.000 3.074 235 V HA 0.767 4.879 4.120 -0.013 0.000 0.314 235 V C -0.405 175.581 176.094 -0.180 0.000 1.117 235 V CA -1.094 61.005 62.300 -0.335 0.000 1.014 235 V CB 1.980 33.404 31.823 -0.666 0.000 1.057 235 V HN 0.949 nan 8.190 nan 0.000 0.438 236 c N 2.176 120.779 118.600 0.005 0.000 2.388 236 c HA 0.418 4.980 4.570 -0.013 0.000 0.362 236 c C 1.893 176.105 174.090 0.203 0.000 1.266 236 c CA -0.224 56.140 56.329 0.059 0.000 2.028 236 c CB 0.561 43.115 42.510 0.072 0.000 2.440 236 c HN 1.150 nan 8.230 nan 0.000 0.547 237 K N 2.028 122.520 120.400 0.152 0.000 2.103 237 K HA -0.135 4.178 4.320 -0.013 0.000 0.207 237 K C 1.814 178.574 176.600 0.266 0.000 1.048 237 K CA 1.933 58.369 56.287 0.247 0.000 0.930 237 K CB -0.329 32.241 32.500 0.117 0.000 0.716 237 K HN 0.948 nan 8.250 nan 0.000 0.444 238 G N 1.116 110.021 108.800 0.176 0.000 2.848 238 G HA2 -0.135 3.817 3.960 -0.013 0.000 0.208 238 G HA3 -0.135 3.817 3.960 -0.013 0.000 0.208 238 G C 0.090 175.081 174.900 0.152 0.000 1.152 238 G CA -0.236 44.950 45.100 0.143 0.000 0.789 238 G HN 0.328 nan 8.290 nan 0.000 0.531 239 D N -0.009 120.523 120.400 0.219 0.000 2.478 239 D HA 0.026 4.659 4.640 -0.013 0.000 0.234 239 D C 0.971 177.335 176.300 0.106 0.000 1.154 239 D CA 0.472 54.597 54.000 0.209 0.000 0.874 239 D CB 0.719 41.763 40.800 0.405 0.000 1.198 239 D HN 0.206 nan 8.370 nan 0.000 0.455 240 Q N 1.158 120.992 119.800 0.057 0.000 2.113 240 Q HA 0.281 4.613 4.340 -0.013 0.000 0.225 240 Q C 0.760 176.737 176.000 -0.040 0.000 0.786 240 Q CA 0.118 55.923 55.803 0.003 0.000 0.989 240 Q CB 1.218 29.974 28.738 0.031 0.000 1.174 240 Q HN 0.752 nan 8.270 nan 0.000 0.470 241 G N 0.544 109.326 108.800 -0.030 0.000 2.781 241 G HA2 -0.121 3.831 3.960 -0.013 0.000 0.683 241 G HA3 -0.121 3.831 3.960 -0.013 0.000 0.683 241 G C -0.015 174.886 174.900 0.002 0.000 1.390 241 G CA -0.591 44.483 45.100 -0.044 0.000 0.850 241 G HN 0.318 nan 8.290 nan 0.000 0.557 242 G N -1.387 107.418 108.800 0.008 0.000 2.528 242 G HA2 0.665 4.617 3.960 -0.013 0.000 0.289 242 G HA3 0.665 4.617 3.960 -0.013 0.000 0.289 242 G C 1.101 176.005 174.900 0.008 0.000 1.192 242 G CA 0.311 45.424 45.100 0.022 0.000 0.921 242 G HN 1.510 nan 8.290 nan 0.000 0.512 243 L N -0.311 120.922 121.223 0.018 0.000 2.071 243 L HA 0.289 4.622 4.340 -0.013 0.000 0.201 243 L C 2.503 179.376 176.870 0.005 0.000 1.076 243 L CA 1.631 56.478 54.840 0.012 0.000 0.755 243 L CB -0.384 41.690 42.059 0.024 0.000 0.915 243 L HN 0.493 nan 8.230 nan 0.000 0.445 244 R N -1.349 119.159 120.500 0.012 0.000 2.279 244 R HA 0.292 4.624 4.340 -0.013 0.000 0.195 244 R C -0.081 176.224 176.300 0.008 0.000 0.905 244 R CA 0.618 56.723 56.100 0.008 0.000 1.044 244 R CB 0.018 30.327 30.300 0.014 0.000 1.056 244 R HN 0.306 nan 8.270 nan 0.000 0.535 245 T N 0.002 114.566 114.554 0.018 0.000 2.885 245 T HA 0.420 4.762 4.350 -0.013 0.000 0.285 245 T C 0.034 174.751 174.700 0.028 0.000 1.019 245 T CA -0.830 61.286 62.100 0.026 0.000 1.010 245 T CB 1.690 70.586 68.868 0.046 0.000 1.022 245 T HN 0.083 nan 8.240 nan 0.000 0.466 246 L N 0.470 121.707 121.223 0.024 0.000 3.660 246 L HA -0.207 4.125 4.340 -0.013 0.000 0.440 246 L C 0.146 177.000 176.870 -0.027 0.000 1.262 246 L CA 0.138 54.990 54.840 0.019 0.000 0.837 246 L CB -1.499 40.624 42.059 0.107 0.000 1.689 246 L HN 0.775 nan 8.230 nan 0.000 0.890 247 Q N 1.462 121.232 119.800 -0.049 0.000 2.281 247 Q HA 0.242 4.574 4.340 -0.013 0.000 0.267 247 Q C 0.641 176.574 176.000 -0.110 0.000 1.053 247 Q CA -0.209 55.555 55.803 -0.065 0.000 0.905 247 Q CB 0.418 29.123 28.738 -0.055 0.000 1.195 247 Q HN 0.161 nan 8.270 nan 0.000 0.398 248 K N 1.006 121.326 120.400 -0.134 0.000 3.251 248 K HA -0.165 4.148 4.320 -0.013 0.000 0.282 248 K C -0.825 175.605 176.600 -0.283 0.000 1.201 248 K CA 0.825 56.993 56.287 -0.197 0.000 0.827 248 K CB -1.266 31.134 32.500 -0.168 0.000 1.286 248 K HN 0.615 nan 8.250 nan 0.000 0.503 249 K N -0.367 119.874 120.400 -0.265 0.000 2.512 249 K HA 0.353 4.665 4.320 -0.013 0.000 0.263 249 K C -0.348 176.138 176.600 -0.190 0.000 0.966 249 K CA -0.943 55.160 56.287 -0.306 0.000 0.851 249 K CB 0.817 33.191 32.500 -0.210 0.000 1.395 249 K HN -0.022 nan 8.250 nan 0.000 0.440 250 W N 1.270 122.640 121.300 0.116 0.000 2.170 250 W HA -0.003 4.650 4.660 -0.011 0.000 0.342 250 W C 1.467 178.131 176.519 0.242 0.000 1.294 250 W CA 0.368 57.826 57.345 0.189 0.000 1.246 250 W CB 0.340 29.955 29.460 0.259 0.000 1.156 250 W HN 0.754 nan 8.180 nan 0.000 0.572 251 T N -3.093 111.695 114.554 0.390 0.000 3.040 251 T HA 0.063 4.406 4.350 -0.013 0.000 0.266 251 T C 0.857 175.689 174.700 0.219 0.000 1.005 251 T CA 0.216 62.474 62.100 0.263 0.000 0.906 251 T CB -0.239 68.724 68.868 0.159 0.000 1.082 251 T HN 0.367 nan 8.240 nan 0.000 0.531 252 S N 0.104 115.967 115.700 0.272 0.000 2.650 252 S HA 0.390 4.853 4.470 -0.013 0.000 0.240 252 S C -0.169 174.442 174.600 0.019 0.000 1.007 252 S CA -0.804 57.471 58.200 0.125 0.000 0.984 252 S CB -0.670 62.598 63.200 0.114 0.000 0.910 252 S HN 0.397 nan 8.310 nan 0.000 0.509 253 F N 2.915 122.816 119.950 -0.081 0.000 2.471 253 F HA 0.625 5.144 4.527 -0.014 0.000 0.365 253 F C -0.523 175.069 175.800 -0.347 0.000 1.095 253 F CA -0.701 57.122 58.000 -0.295 0.000 1.174 253 F CB 0.238 39.051 39.000 -0.312 0.000 1.105 253 F HN 0.105 nan 8.300 nan 0.000 0.535 254 L N 6.559 127.181 121.223 -1.002 0.000 2.371 254 L HA 0.553 4.885 4.340 -0.013 0.000 0.262 254 L C -1.097 175.227 176.870 -0.910 0.000 1.006 254 L CA -1.072 53.316 54.840 -0.753 0.000 0.818 254 L CB 2.560 44.353 42.059 -0.442 0.000 1.354 254 L HN 0.599 nan 8.230 nan 0.000 0.415 255 K N 1.511 121.674 120.400 -0.396 0.000 2.512 255 K HA 0.984 5.296 4.320 -0.013 0.000 0.263 255 K C -1.678 174.950 176.600 0.047 0.000 0.966 255 K CA -0.782 55.402 56.287 -0.172 0.000 0.851 255 K CB 2.808 35.164 32.500 -0.241 0.000 1.395 255 K HN 0.595 nan 8.250 nan 0.000 0.440 256 A N 1.398 124.201 122.820 -0.028 0.000 2.594 256 A HA 0.585 4.897 4.320 -0.013 0.000 0.291 256 A C -1.279 176.195 177.584 -0.182 0.000 1.105 256 A CA -1.061 50.876 52.037 -0.168 0.000 0.694 256 A CB 1.450 20.220 19.000 -0.383 0.000 1.291 256 A HN 0.720 nan 8.150 nan 0.000 0.410 257 R N -0.471 119.933 120.500 -0.161 0.000 2.539 257 R HA 0.423 4.755 4.340 -0.013 0.000 0.275 257 R C -1.219 175.016 176.300 -0.108 0.000 1.077 257 R CA -0.381 55.653 56.100 -0.110 0.000 1.097 257 R CB 0.642 30.913 30.300 -0.049 0.000 1.018 257 R HN 0.432 nan 8.270 nan 0.000 0.483 258 L N 4.867 126.050 121.223 -0.067 0.000 2.324 258 L HA 0.348 4.680 4.340 -0.013 0.000 0.274 258 L C -1.085 175.808 176.870 0.038 0.000 1.012 258 L CA -0.357 54.440 54.840 -0.072 0.000 0.859 258 L CB 1.128 43.156 42.059 -0.051 0.000 1.224 258 L HN 0.455 nan 8.230 nan 0.000 0.429 259 I N 3.880 124.478 120.570 0.047 0.000 2.342 259 I HA 0.242 4.405 4.170 -0.013 0.000 0.291 259 I C -0.096 175.989 176.117 -0.053 0.000 1.010 259 I CA -0.310 60.994 61.300 0.006 0.000 1.308 259 I CB 1.043 39.057 38.000 0.024 0.000 1.400 259 I HN 0.589 nan 8.210 nan 0.000 0.488 260 c N 7.099 125.517 118.600 -0.304 0.000 2.407 260 c HA 0.745 5.307 4.570 -0.013 0.000 0.328 260 c C 0.066 174.117 174.090 -0.065 0.000 1.137 260 c CA 0.024 56.115 56.329 -0.396 0.000 1.390 260 c CB -0.381 41.385 42.510 -1.240 0.000 1.989 260 c HN 0.997 nan 8.230 nan 0.000 0.432 261 S N 4.984 120.691 115.700 0.012 0.000 2.636 261 S HA 0.677 5.139 4.470 -0.013 0.000 0.268 261 S C -1.379 173.249 174.600 0.047 0.000 1.159 261 S CA -0.845 57.409 58.200 0.090 0.000 0.815 261 S CB 1.398 64.580 63.200 -0.029 0.000 1.130 261 S HN 0.750 nan 8.310 nan 0.000 0.471 262 R N 0.934 121.453 120.500 0.032 0.000 2.721 262 R HA 0.333 4.665 4.340 -0.013 0.000 0.272 262 R C -2.461 173.816 176.300 -0.038 0.000 1.721 262 R CA -1.910 54.183 56.100 -0.011 0.000 1.325 262 R CB 1.369 31.662 30.300 -0.012 0.000 1.271 262 R HN 0.457 nan 8.270 nan 0.000 0.556 263 P HA -0.201 nan 4.420 nan 0.000 0.216 263 P C 0.458 177.729 177.300 -0.048 0.000 1.157 263 P CA 1.431 64.498 63.100 -0.056 0.000 0.880 263 P CB 0.355 32.025 31.700 -0.051 0.000 0.791 264 D N -1.825 118.551 120.400 -0.039 0.000 2.265 264 D HA -0.093 4.539 4.640 -0.013 0.000 0.208 264 D C 1.817 178.102 176.300 -0.024 0.000 0.977 264 D CA 1.103 55.085 54.000 -0.031 0.000 0.871 264 D CB -0.407 40.376 40.800 -0.029 0.000 0.925 264 D HN 0.058 nan 8.370 nan 0.000 0.485 265 S N -1.713 113.970 115.700 -0.028 0.000 2.535 265 S HA 0.253 4.715 4.470 -0.013 0.000 0.214 265 S C 1.290 175.879 174.600 -0.019 0.000 0.980 265 S CA 0.580 58.774 58.200 -0.010 0.000 0.907 265 S CB 0.263 63.453 63.200 -0.016 0.000 0.790 265 S HN 0.384 nan 8.310 nan 0.000 0.510 266 G N 1.578 110.349 108.800 -0.048 0.000 2.198 266 G HA2 -0.219 3.733 3.960 -0.013 0.000 0.260 266 G HA3 -0.219 3.733 3.960 -0.013 0.000 0.260 266 G C -0.151 174.681 174.900 -0.113 0.000 1.025 266 G CA 0.193 45.249 45.100 -0.074 0.000 0.769 266 G HN 0.486 nan 8.290 nan 0.000 0.507 267 L N -0.089 121.057 121.223 -0.128 0.000 2.275 267 L HA 0.700 5.032 4.340 -0.013 0.000 0.288 267 L C 0.112 176.772 176.870 -0.351 0.000 1.046 267 L CA -0.938 53.747 54.840 -0.259 0.000 0.805 267 L CB 1.897 43.877 42.059 -0.131 0.000 1.193 267 L HN 0.050 nan 8.230 nan 0.000 0.426 268 V N 4.895 124.488 119.914 -0.535 0.000 2.524 268 V HA 0.442 4.555 4.120 -0.013 0.000 0.297 268 V C -1.086 174.703 176.094 -0.508 0.000 1.035 268 V CA -0.234 61.834 62.300 -0.388 0.000 0.867 268 V CB 1.545 33.213 31.823 -0.259 0.000 1.004 268 V HN 0.486 nan 8.190 nan 0.000 0.426 269 F N 7.301 127.205 119.950 -0.077 0.000 2.300 269 F HA 0.448 5.024 4.527 0.081 0.000 0.364 269 F C 1.253 177.057 175.800 0.007 0.000 1.090 269 F CA -0.718 57.278 58.000 -0.007 0.000 1.200 269 F CB 0.761 39.759 39.000 -0.002 0.000 1.493 269 F HN 0.674 nan 8.300 nan 0.000 0.518 270 N N 0.677 119.468 118.700 0.152 0.000 2.276 270 N HA 0.065 4.797 4.740 -0.013 0.000 0.212 270 N C -0.611 175.041 175.510 0.237 0.000 1.127 270 N CA 0.209 53.356 53.050 0.162 0.000 0.834 270 N CB 0.414 38.946 38.487 0.075 0.000 1.014 270 N HN 0.233 nan 8.380 nan 0.000 0.491 271 V N 1.665 121.769 119.914 0.316 0.000 2.407 271 V HA 0.292 4.404 4.120 -0.013 0.000 0.291 271 V C -0.543 175.742 176.094 0.318 0.000 1.018 271 V CA -1.045 61.414 62.300 0.266 0.000 0.842 271 V CB 1.790 33.733 31.823 0.201 0.000 0.996 271 V HN 0.149 nan 8.190 nan 0.000 0.426 272 L N 6.626 127.976 121.223 0.211 0.000 2.290 272 L HA 0.511 4.844 4.340 -0.013 0.000 0.284 272 L C 1.148 178.015 176.870 -0.004 0.000 1.078 272 L CA 0.610 55.449 54.840 -0.002 0.000 0.815 272 L CB 0.724 42.766 42.059 -0.029 0.000 1.162 272 L HN 0.487 nan 8.230 nan 0.000 0.435 273 R N 2.067 122.525 120.500 -0.070 0.000 2.167 273 R HA 0.347 4.680 4.340 -0.013 0.000 0.201 273 R C -0.342 175.941 176.300 -0.030 0.000 1.024 273 R CA 0.125 56.225 56.100 -0.001 0.000 1.053 273 R CB -0.152 30.174 30.300 0.044 0.000 0.987 273 R HN 0.725 nan 8.270 nan 0.000 0.493 274 D N -1.360 118.968 120.400 -0.121 0.000 2.648 274 D HA 0.355 4.987 4.640 -0.013 0.000 0.244 274 D C -1.627 174.518 176.300 -0.259 0.000 1.244 274 D CA -0.385 53.538 54.000 -0.129 0.000 0.772 274 D CB 2.147 42.902 40.800 -0.074 0.000 1.379 274 D HN -0.265 nan 8.370 nan 0.000 0.428 275 V N 1.907 121.583 119.914 -0.395 0.000 2.841 275 V HA 0.669 4.781 4.120 -0.013 0.000 0.310 275 V C -1.148 174.494 176.094 -0.753 0.000 1.090 275 V CA -0.830 61.118 62.300 -0.587 0.000 0.930 275 V CB 1.999 33.269 31.823 -0.921 0.000 1.014 275 V HN 0.543 nan 8.190 nan 0.000 0.425 276 F N 3.585 123.229 119.950 -0.509 0.000 2.556 276 F HA 0.769 5.287 4.527 -0.014 0.000 0.314 276 F C -0.738 174.997 175.800 -0.109 0.000 1.106 276 F CA -0.635 57.136 58.000 -0.381 0.000 0.911 276 F CB 1.953 40.841 39.000 -0.187 0.000 1.190 276 F HN 0.260 nan 8.300 nan 0.000 0.448 277 V N 6.995 126.488 119.914 -0.702 0.000 2.350 277 V HA 0.288 4.400 4.120 -0.013 0.000 0.276 277 V C -0.547 175.240 176.094 -0.510 0.000 1.028 277 V CA -0.683 61.391 62.300 -0.377 0.000 0.860 277 V CB 1.117 32.824 31.823 -0.194 0.000 0.990 277 V HN 0.616 nan 8.190 nan 0.000 0.453 278 L N 7.551 128.726 121.223 -0.080 0.000 2.261 278 L HA 0.476 4.808 4.340 -0.013 0.000 0.289 278 L C 0.228 177.091 176.870 -0.011 0.000 1.059 278 L CA 0.336 55.236 54.840 0.099 0.000 0.816 278 L CB 0.305 42.538 42.059 0.290 0.000 1.191 278 L HN 0.541 nan 8.230 nan 0.000 0.431 279 R N 3.496 123.983 120.500 -0.021 0.000 2.343 279 R HA 0.556 4.888 4.340 -0.013 0.000 0.320 279 R C -0.737 175.567 176.300 0.006 0.000 0.956 279 R CA -0.450 55.631 56.100 -0.032 0.000 0.836 279 R CB 1.473 31.742 30.300 -0.053 0.000 1.151 279 R HN 0.754 nan 8.270 nan 0.000 0.450 280 S N 2.189 117.890 115.700 0.001 0.000 2.478 280 S HA 0.335 4.797 4.470 -0.013 0.000 0.312 280 S C -2.092 172.506 174.600 -0.003 0.000 1.094 280 S CA -1.468 56.736 58.200 0.007 0.000 1.081 280 S CB 2.131 65.338 63.200 0.012 0.000 1.007 280 S HN 0.323 nan 8.310 nan 0.000 0.475 281 P HA 0.041 nan 4.420 nan 0.000 0.219 281 P C 1.465 178.759 177.300 -0.009 0.000 1.146 281 P CA 1.112 64.207 63.100 -0.007 0.000 0.808 281 P CB -0.152 31.543 31.700 -0.009 0.000 0.779 282 G N -1.614 107.179 108.800 -0.011 0.000 2.777 282 G HA2 0.090 4.042 3.960 -0.013 0.000 0.211 282 G HA3 0.090 4.042 3.960 -0.013 0.000 0.211 282 G C 0.288 175.182 174.900 -0.011 0.000 1.149 282 G CA 0.103 45.196 45.100 -0.012 0.000 0.785 282 G HN 0.138 nan 8.290 nan 0.000 0.536 283 L N 0.743 121.960 121.223 -0.009 0.000 2.341 283 L HA 0.400 4.732 4.340 -0.013 0.000 0.278 283 L C 0.645 177.507 176.870 -0.012 0.000 1.005 283 L CA -0.648 54.186 54.840 -0.010 0.000 0.818 283 L CB 1.953 44.008 42.059 -0.007 0.000 1.259 283 L HN -0.087 nan 8.230 nan 0.000 0.418 284 K N 1.493 121.887 120.400 -0.011 0.000 2.283 284 K HA 0.049 4.361 4.320 -0.013 0.000 0.202 284 K C 0.153 176.742 176.600 -0.018 0.000 1.048 284 K CA 0.649 56.929 56.287 -0.011 0.000 0.948 284 K CB 0.262 32.759 32.500 -0.005 0.000 0.742 284 K HN 0.281 nan 8.250 nan 0.000 0.458 285 V N 3.059 122.958 119.914 -0.025 0.000 2.487 285 V HA 0.215 4.327 4.120 -0.013 0.000 0.298 285 V C -2.343 173.706 176.094 -0.075 0.000 1.028 285 V CA -2.030 60.245 62.300 -0.043 0.000 0.860 285 V CB 1.816 33.621 31.823 -0.029 0.000 0.991 285 V HN 0.018 nan 8.190 nan 0.000 0.427 286 P HA 0.306 nan 4.420 nan 0.000 0.272 286 P C -0.968 176.178 177.300 -0.255 0.000 1.230 286 P CA -0.135 62.848 63.100 -0.194 0.000 0.788 286 P CB 0.692 32.223 31.700 -0.281 0.000 0.949 287 V N 2.154 121.946 119.914 -0.203 0.000 2.604 287 V HA 0.363 4.476 4.120 -0.013 0.000 0.305 287 V C -0.482 175.528 176.094 -0.141 0.000 1.043 287 V CA -0.462 61.752 62.300 -0.143 0.000 0.888 287 V CB 1.249 33.082 31.823 0.017 0.000 0.995 287 V HN 0.311 nan 8.190 nan 0.000 0.429 288 F N 3.676 123.674 119.950 0.080 0.000 2.411 288 F HA 0.517 5.036 4.527 -0.012 0.000 0.355 288 F C -0.208 175.655 175.800 0.104 0.000 1.117 288 F CA -0.510 57.538 58.000 0.080 0.000 1.139 288 F CB 0.679 39.725 39.000 0.077 0.000 1.120 288 F HN 0.350 nan 8.300 nan 0.000 0.493 289 Y N 2.105 122.547 120.300 0.236 0.000 2.328 289 Y HA 0.637 5.178 4.550 -0.014 0.000 0.337 289 Y C 0.129 176.080 175.900 0.086 0.000 1.008 289 Y CA -0.796 57.405 58.100 0.169 0.000 1.129 289 Y CB 1.417 39.958 38.460 0.136 0.000 1.185 289 Y HN 0.652 nan 8.280 nan 0.000 0.476 290 A N 4.054 126.999 122.820 0.207 0.000 2.365 290 A HA 0.717 5.030 4.320 -0.013 0.000 0.318 290 A C -1.929 175.581 177.584 -0.125 0.000 1.091 290 A CA -0.722 51.280 52.037 -0.059 0.000 0.763 290 A CB 1.178 20.104 19.000 -0.123 0.000 1.248 290 A HN 0.665 nan 8.150 nan 0.000 0.442 291 L N 2.364 123.402 121.223 -0.308 0.000 2.287 291 L HA 0.821 5.153 4.340 -0.013 0.000 0.287 291 L C -1.487 175.234 176.870 -0.247 0.000 1.022 291 L CA -0.146 54.614 54.840 -0.132 0.000 0.814 291 L CB 0.167 42.201 42.059 -0.042 0.000 1.217 291 L HN 0.575 nan 8.230 nan 0.000 0.420 292 F N 1.870 121.866 119.950 0.077 0.000 2.579 292 F HA 0.819 5.337 4.527 -0.014 0.000 0.324 292 F C 0.416 176.327 175.800 0.186 0.000 1.058 292 F CA -0.623 57.457 58.000 0.134 0.000 0.944 292 F CB 2.370 41.476 39.000 0.177 0.000 1.245 292 F HN 0.527 nan 8.300 nan 0.000 0.477 293 T N -0.816 114.024 114.554 0.478 0.000 2.906 293 T HA 0.650 4.992 4.350 -0.013 0.000 0.295 293 T C -3.198 171.754 174.700 0.420 0.000 1.075 293 T CA -2.545 59.818 62.100 0.438 0.000 1.005 293 T CB 2.391 71.416 68.868 0.262 0.000 1.136 293 T HN 0.246 nan 8.240 nan 0.000 0.498 294 P HA 0.248 nan 4.420 nan 0.000 0.286 294 P C 0.131 177.489 177.300 0.096 0.000 1.261 294 P CA -0.498 62.652 63.100 0.083 0.000 0.821 294 P CB 1.681 33.318 31.700 -0.105 0.000 1.013 295 Q N 2.343 122.190 119.800 0.080 0.000 2.163 295 Q HA 0.061 4.393 4.340 -0.013 0.000 0.198 295 Q C 0.016 176.073 176.000 0.094 0.000 0.954 295 Q CA 0.729 56.588 55.803 0.093 0.000 0.851 295 Q CB -0.032 28.771 28.738 0.108 0.000 0.928 295 Q HN 0.447 nan 8.270 nan 0.000 0.459 296 L N 2.696 123.976 121.223 0.095 0.000 2.276 296 L HA 0.258 4.590 4.340 -0.013 0.000 0.286 296 L C -0.459 176.458 176.870 0.079 0.000 1.061 296 L CA -0.644 54.277 54.840 0.134 0.000 0.807 296 L CB 0.998 43.162 42.059 0.176 0.000 1.177 296 L HN 0.281 nan 8.230 nan 0.000 0.429 297 N N 1.588 120.345 118.700 0.095 0.000 2.740 297 N HA -0.219 4.513 4.740 -0.013 0.000 0.248 297 N C -0.218 175.318 175.510 0.043 0.000 1.062 297 N CA 0.478 53.566 53.050 0.063 0.000 0.704 297 N CB -1.348 37.171 38.487 0.053 0.000 0.968 297 N HN 0.657 nan 8.380 nan 0.000 0.547 298 N N 0.772 119.501 118.700 0.049 0.000 2.466 298 N HA 0.176 4.908 4.740 -0.013 0.000 0.263 298 N C 0.900 176.436 175.510 0.044 0.000 1.178 298 N CA -0.031 53.051 53.050 0.053 0.000 0.983 298 N CB 0.484 39.013 38.487 0.069 0.000 1.331 298 N HN 0.071 nan 8.380 nan 0.000 0.500 299 V N 1.751 121.686 119.914 0.035 0.000 3.306 299 V HA 0.190 4.302 4.120 -0.013 0.000 0.264 299 V C 1.179 177.284 176.094 0.018 0.000 1.149 299 V CA 1.175 63.487 62.300 0.020 0.000 1.143 299 V CB -0.580 31.247 31.823 0.007 0.000 0.767 299 V HN 0.874 nan 8.190 nan 0.000 0.476 300 G N 0.428 109.249 108.800 0.035 0.000 2.508 300 G HA2 -0.021 3.931 3.960 -0.013 0.000 0.232 300 G HA3 -0.021 3.931 3.960 -0.013 0.000 0.232 300 G C -0.829 174.098 174.900 0.045 0.000 1.450 300 G CA -0.674 44.442 45.100 0.027 0.000 0.923 300 G HN 0.180 nan 8.290 nan 0.000 0.559 301 L N 0.696 121.989 121.223 0.117 0.000 2.346 301 L HA 0.861 5.193 4.340 -0.013 0.000 0.274 301 L C 0.055 177.085 176.870 0.267 0.000 1.007 301 L CA -0.793 54.184 54.840 0.227 0.000 0.818 301 L CB 2.300 44.574 42.059 0.358 0.000 1.284 301 L HN 0.331 nan 8.230 nan 0.000 0.424 302 S N 1.249 117.071 115.700 0.204 0.000 2.564 302 S HA 0.894 5.356 4.470 -0.013 0.000 0.274 302 S C -1.097 173.480 174.600 -0.039 0.000 1.124 302 S CA -0.594 57.684 58.200 0.131 0.000 0.869 302 S CB 2.295 65.517 63.200 0.036 0.000 1.105 302 S HN 0.714 nan 8.310 nan 0.000 0.472 303 A N 1.251 123.965 122.820 -0.176 0.000 2.572 303 A HA 0.852 5.165 4.320 -0.013 0.000 0.295 303 A C -1.634 175.944 177.584 -0.009 0.000 1.072 303 A CA -0.632 51.181 52.037 -0.373 0.000 0.691 303 A CB 1.395 19.584 19.000 -1.351 0.000 1.291 303 A HN 0.619 nan 8.150 nan 0.000 0.404 304 V N 0.462 120.383 119.914 0.011 0.000 2.531 304 V HA 0.500 4.613 4.120 -0.013 0.000 0.301 304 V C -0.589 175.550 176.094 0.075 0.000 1.034 304 V CA -0.437 61.935 62.300 0.119 0.000 0.865 304 V CB 1.214 33.097 31.823 0.101 0.000 0.995 304 V HN 1.038 nan 8.190 nan 0.000 0.424 305 c N 3.908 122.610 118.600 0.170 0.000 2.561 305 c HA 0.912 5.474 4.570 -0.013 0.000 0.319 305 c C 0.430 174.360 174.090 -0.266 0.000 1.198 305 c CA -0.647 55.635 56.329 -0.078 0.000 1.665 305 c CB 1.388 43.873 42.510 -0.042 0.000 2.258 305 c HN 0.984 nan 8.230 nan 0.000 0.493 306 A N 2.484 124.961 122.820 -0.572 0.000 2.331 306 A HA 0.841 5.154 4.320 -0.013 0.000 0.320 306 A C -1.585 175.618 177.584 -0.635 0.000 1.138 306 A CA -0.268 51.368 52.037 -0.669 0.000 0.790 306 A CB 0.492 18.966 19.000 -0.876 0.000 1.206 306 A HN 0.826 nan 8.150 nan 0.000 0.470 307 Y N 1.313 121.578 120.300 -0.060 0.000 2.409 307 Y HA 0.394 4.934 4.550 -0.017 0.000 0.343 307 Y C 0.409 176.348 175.900 0.064 0.000 0.973 307 Y CA -0.945 57.189 58.100 0.055 0.000 1.064 307 Y CB 1.690 40.258 38.460 0.179 0.000 1.207 307 Y HN 0.705 nan 8.280 nan 0.000 0.452 308 N N 2.530 121.335 118.700 0.175 0.000 2.458 308 N HA 0.023 4.755 4.740 -0.013 0.000 0.270 308 N C 0.669 176.273 175.510 0.156 0.000 1.102 308 N CA -0.062 53.047 53.050 0.098 0.000 0.967 308 N CB 1.323 39.840 38.487 0.051 0.000 1.078 308 N HN 0.874 nan 8.380 nan 0.000 0.471 309 L N 3.644 124.913 121.223 0.077 0.000 2.129 309 L HA -0.166 4.166 4.340 -0.013 0.000 0.212 309 L C 1.769 178.722 176.870 0.137 0.000 1.087 309 L CA 1.781 56.691 54.840 0.117 0.000 0.757 309 L CB -0.422 41.594 42.059 -0.072 0.000 0.896 309 L HN 0.563 nan 8.230 nan 0.000 0.434 310 S N -1.460 114.293 115.700 0.089 0.000 2.442 310 S HA -0.147 4.315 4.470 -0.013 0.000 0.236 310 S C 1.760 176.414 174.600 0.090 0.000 1.007 310 S CA 1.471 59.723 58.200 0.087 0.000 0.965 310 S CB -0.590 62.645 63.200 0.059 0.000 0.773 310 S HN 0.584 nan 8.310 nan 0.000 0.504 311 T N 2.294 116.905 114.554 0.095 0.000 2.812 311 T HA 0.092 4.434 4.350 -0.013 0.000 0.264 311 T C 2.223 176.951 174.700 0.046 0.000 1.042 311 T CA 1.081 63.225 62.100 0.074 0.000 1.140 311 T CB -0.402 68.527 68.868 0.100 0.000 0.870 311 T HN 0.487 nan 8.240 nan 0.000 0.445 312 A N 1.592 124.470 122.820 0.097 0.000 1.930 312 A HA -0.087 4.225 4.320 -0.013 0.000 0.217 312 A C 2.154 179.792 177.584 0.091 0.000 1.175 312 A CA 1.448 53.517 52.037 0.054 0.000 0.627 312 A CB -0.477 18.660 19.000 0.229 0.000 0.815 312 A HN 0.533 nan 8.150 nan 0.000 0.443 313 E N -0.566 119.753 120.200 0.199 0.000 2.150 313 E HA -0.156 4.187 4.350 -0.013 0.000 0.193 313 E C 1.961 178.616 176.600 0.091 0.000 0.985 313 E CA 0.895 57.426 56.400 0.218 0.000 0.814 313 E CB -0.052 29.760 29.700 0.186 0.000 0.752 313 E HN 0.528 nan 8.360 nan 0.000 0.466 314 E N 0.415 120.647 120.200 0.054 0.000 2.150 314 E HA -0.122 4.220 4.350 -0.013 0.000 0.193 314 E C 2.109 178.694 176.600 -0.025 0.000 0.985 314 E CA 0.509 56.944 56.400 0.059 0.000 0.814 314 E CB 0.213 29.965 29.700 0.086 0.000 0.752 314 E HN 0.107 nan 8.360 nan 0.000 0.466 315 V N 0.451 120.277 119.914 -0.147 0.000 2.323 315 V HA -0.211 3.901 4.120 -0.013 0.000 0.244 315 V C 1.972 177.873 176.094 -0.320 0.000 1.041 315 V CA 1.390 63.517 62.300 -0.287 0.000 1.025 315 V CB -0.472 31.057 31.823 -0.489 0.000 0.656 315 V HN 0.158 nan 8.190 nan 0.000 0.451 316 F N 1.044 120.916 119.950 -0.129 0.000 2.259 316 F HA -0.093 4.427 4.527 -0.013 0.000 0.298 316 F C 2.627 178.304 175.800 -0.205 0.000 1.088 316 F CA 1.377 59.269 58.000 -0.181 0.000 1.358 316 F CB -0.794 38.120 39.000 -0.144 0.000 1.040 316 F HN 0.300 nan 8.300 nan 0.000 0.505 317 S N -2.204 113.451 115.700 -0.074 0.000 2.486 317 S HA 0.007 4.469 4.470 -0.013 0.000 0.220 317 S C 1.156 175.440 174.600 -0.527 0.000 1.011 317 S CA 0.651 58.656 58.200 -0.325 0.000 0.921 317 S CB -0.256 62.657 63.200 -0.478 0.000 0.785 317 S HN 0.411 nan 8.310 nan 0.000 0.517 318 H N 0.155 119.219 119.070 -0.011 0.000 3.540 318 H HA 0.396 4.944 4.556 -0.013 0.000 0.259 318 H C 0.968 176.268 175.328 -0.047 0.000 1.197 318 H CA 0.042 56.081 56.048 -0.014 0.000 1.136 318 H CB 0.121 29.882 29.762 -0.002 0.000 1.605 318 H HN 0.455 nan 8.280 nan 0.000 0.657 319 G N 0.968 109.746 108.800 -0.035 0.000 2.528 319 G HA2 0.351 4.303 3.960 -0.013 0.000 0.289 319 G HA3 0.351 4.303 3.960 -0.013 0.000 0.289 319 G C -0.096 174.734 174.900 -0.117 0.000 1.192 319 G CA -0.441 44.611 45.100 -0.080 0.000 0.921 319 G HN -0.021 nan 8.290 nan 0.000 0.512 320 K N -0.833 119.545 120.400 -0.036 0.000 2.126 320 K HA 0.399 4.711 4.320 -0.013 0.000 0.257 320 K C -0.777 175.848 176.600 0.042 0.000 1.007 320 K CA -0.007 56.337 56.287 0.094 0.000 0.928 320 K CB 0.679 33.267 32.500 0.147 0.000 1.013 320 K HN 0.505 nan 8.250 nan 0.000 0.473 321 Y N 0.651 121.116 120.300 0.275 0.000 2.458 321 Y HA 0.376 4.918 4.550 -0.013 0.000 0.322 321 Y C 0.620 176.709 175.900 0.315 0.000 1.259 321 Y CA -0.962 57.308 58.100 0.284 0.000 1.302 321 Y CB 0.965 39.637 38.460 0.353 0.000 1.314 321 Y HN 0.194 nan 8.280 nan 0.000 0.509 322 M N 1.135 121.017 119.600 0.469 0.000 2.528 322 M HA 0.342 4.814 4.480 -0.013 0.000 0.318 322 M C -1.039 175.544 176.300 0.472 0.000 1.195 322 M CA -0.751 54.812 55.300 0.438 0.000 1.000 322 M CB 2.030 34.872 32.600 0.404 0.000 1.615 322 M HN 0.709 nan 8.290 nan 0.000 0.469 323 Q N 0.557 120.534 119.800 0.295 0.000 2.331 323 Q HA 0.416 4.748 4.340 -0.013 0.000 0.272 323 Q C -1.201 174.486 176.000 -0.521 0.000 1.062 323 Q CA -0.734 55.016 55.803 -0.087 0.000 0.806 323 Q CB 2.006 30.822 28.738 0.130 0.000 1.312 323 Q HN 0.586 nan 8.270 nan 0.000 0.431 324 S N 2.728 117.721 115.700 -1.178 0.000 2.494 324 S HA 0.204 4.666 4.470 -0.013 0.000 0.312 324 S C -0.254 173.975 174.600 -0.618 0.000 1.121 324 S CA -0.035 57.328 58.200 -1.394 0.000 1.068 324 S CB -0.497 61.747 63.200 -1.593 0.000 1.141 324 S HN 0.641 nan 8.310 nan 0.000 0.527 325 T N 2.670 116.989 114.554 -0.391 0.000 2.771 325 T HA 0.446 4.788 4.350 -0.013 0.000 0.291 325 T C 0.176 174.778 174.700 -0.164 0.000 0.954 325 T CA -0.195 61.789 62.100 -0.193 0.000 1.045 325 T CB 0.728 69.542 68.868 -0.090 0.000 0.917 325 T HN 0.778 nan 8.240 nan 0.000 0.484 326 T N 1.851 116.331 114.554 -0.123 0.000 0.593 326 T HA -0.153 4.190 4.350 -0.013 0.000 0.768 326 T C -0.488 174.159 174.700 -0.088 0.000 0.991 326 T CA 0.583 62.636 62.100 -0.079 0.000 4.047 326 T CB -0.685 68.162 68.868 -0.034 0.000 2.286 326 T HN 1.678 nan 8.240 nan 0.000 0.395 327 V N 6.460 126.333 119.914 -0.069 0.000 2.465 327 V HA 0.779 4.891 4.120 -0.013 0.000 0.263 327 V C -0.025 176.059 176.094 -0.017 0.000 0.981 327 V CA 0.797 63.072 62.300 -0.041 0.000 0.838 327 V CB 0.843 32.628 31.823 -0.064 0.000 1.068 327 V HN 0.968 nan 8.190 nan 0.000 0.458 328 E N 1.907 122.099 120.200 -0.013 0.000 1.277 328 E HA 0.190 4.532 4.350 -0.013 0.000 0.145 328 E C -0.071 176.464 176.600 -0.109 0.000 2.087 328 E CA -0.348 56.027 56.400 -0.041 0.000 1.237 328 E CB 0.777 30.454 29.700 -0.039 0.000 1.453 328 E HN 0.386 nan 8.360 nan 0.000 0.752 329 Q N 0.080 119.806 119.800 -0.123 0.000 2.369 329 Q HA 0.038 4.371 4.340 -0.013 0.000 0.206 329 Q C 1.604 177.496 176.000 -0.181 0.000 0.963 329 Q CA 0.978 56.661 55.803 -0.199 0.000 0.894 329 Q CB 0.114 28.781 28.738 -0.119 0.000 0.965 329 Q HN 0.166 nan 8.270 nan 0.000 0.475 330 S N -0.550 115.104 115.700 -0.076 0.000 2.515 330 S HA -0.045 4.418 4.470 -0.013 0.000 0.231 330 S C -0.498 174.152 174.600 0.084 0.000 0.987 330 S CA 0.244 58.442 58.200 -0.004 0.000 0.936 330 S CB 0.001 63.205 63.200 0.007 0.000 0.766 330 S HN 0.393 nan 8.310 nan 0.000 0.528 331 H N 0.258 119.337 119.070 0.015 0.000 4.804 331 H HA -0.114 4.436 4.556 -0.011 0.000 0.302 331 H C -0.558 174.781 175.328 0.017 0.000 0.637 331 H CA 0.254 56.319 56.048 0.027 0.000 0.781 331 H CB -1.021 28.765 29.762 0.040 0.000 1.072 331 H HN 0.152 nan 8.280 nan 0.000 0.325 332 T N 5.454 120.148 114.554 0.234 0.000 2.751 332 T HA 0.207 4.549 4.350 -0.013 0.000 0.290 332 T C 0.913 175.667 174.700 0.089 0.000 0.919 332 T CA -0.084 62.076 62.100 0.100 0.000 1.136 332 T CB 0.800 69.757 68.868 0.147 0.000 0.875 332 T HN 0.201 nan 8.240 nan 0.000 0.532 333 K N 2.949 123.334 120.400 -0.025 0.000 2.244 333 K HA 0.291 4.603 4.320 -0.013 0.000 0.260 333 K C -1.236 175.299 176.600 -0.108 0.000 0.951 333 K CA -0.698 55.600 56.287 0.018 0.000 0.826 333 K CB 1.178 33.694 32.500 0.026 0.000 1.108 333 K HN 0.579 nan 8.250 nan 0.000 0.433 334 W N 4.073 125.380 121.300 0.011 0.000 2.349 334 W HA 0.325 4.978 4.660 -0.011 0.000 0.309 334 W C -0.020 176.506 176.519 0.012 0.000 1.083 334 W CA -0.433 56.912 57.345 0.001 0.000 1.224 334 W CB 1.303 30.747 29.460 -0.026 0.000 1.256 334 W HN 0.201 nan 8.180 nan 0.000 0.461 335 V N 1.136 121.161 119.914 0.184 0.000 3.160 335 V HA 0.591 4.703 4.120 -0.013 0.000 0.310 335 V C -0.126 176.083 176.094 0.192 0.000 1.181 335 V CA -1.934 60.458 62.300 0.154 0.000 1.047 335 V CB 1.671 33.550 31.823 0.094 0.000 1.068 335 V HN 0.535 nan 8.190 nan 0.000 0.441 336 R N 1.204 121.801 120.500 0.162 0.000 2.570 336 R HA 0.132 4.464 4.340 -0.013 0.000 0.277 336 R C -1.379 175.061 176.300 0.233 0.000 1.039 336 R CA -0.155 56.059 56.100 0.189 0.000 1.065 336 R CB 0.206 30.580 30.300 0.123 0.000 0.964 336 R HN 0.932 nan 8.270 nan 0.000 0.428 337 Y N 4.458 124.869 120.300 0.185 0.000 2.350 337 Y HA 0.170 4.712 4.550 -0.014 0.000 0.340 337 Y C -0.264 175.736 175.900 0.167 0.000 1.006 337 Y CA -0.139 58.077 58.100 0.193 0.000 1.166 337 Y CB 1.013 39.648 38.460 0.292 0.000 1.168 337 Y HN 0.705 nan 8.280 nan 0.000 0.502 338 N N 2.690 121.139 118.700 -0.418 0.000 2.220 338 N HA 0.168 4.901 4.740 -0.013 0.000 0.195 338 N C 0.943 176.146 175.510 -0.513 0.000 1.123 338 N CA 0.240 53.089 53.050 -0.335 0.000 0.874 338 N CB 0.490 38.884 38.487 -0.155 0.000 0.995 338 N HN 0.798 nan 8.380 nan 0.000 0.498 339 G N 1.565 109.722 108.800 -1.071 0.000 2.466 339 G HA2 0.171 4.124 3.960 -0.013 0.000 0.279 339 G HA3 0.171 4.124 3.960 -0.013 0.000 0.279 339 G C -2.191 172.557 174.900 -0.254 0.000 1.410 339 G CA -0.450 44.286 45.100 -0.607 0.000 1.065 339 G HN 0.003 nan 8.290 nan 0.000 0.547 340 P HA 0.441 nan 4.420 nan 0.000 0.287 340 P C -0.919 176.435 177.300 0.089 0.000 1.270 340 P CA -0.523 62.608 63.100 0.051 0.000 0.844 340 P CB 1.856 33.574 31.700 0.030 0.000 1.068 341 V N 3.312 123.193 119.914 -0.054 0.000 2.398 341 V HA 0.298 4.410 4.120 -0.013 0.000 0.286 341 V C -2.084 173.810 176.094 -0.334 0.000 1.026 341 V CA -1.951 60.145 62.300 -0.339 0.000 0.868 341 V CB 0.742 32.436 31.823 -0.216 0.000 0.982 341 V HN 0.538 nan 8.190 nan 0.000 0.443 342 P HA 0.001 nan 4.420 nan 0.000 0.263 342 P C 0.871 178.052 177.300 -0.198 0.000 1.175 342 P CA 0.064 62.992 63.100 -0.287 0.000 0.761 342 P CB 0.601 32.107 31.700 -0.324 0.000 0.794 343 K N 4.295 124.632 120.400 -0.105 0.000 1.980 343 K HA -0.126 4.186 4.320 -0.013 0.000 0.223 343 K C -1.305 175.250 176.600 -0.075 0.000 1.052 343 K CA 1.698 57.950 56.287 -0.058 0.000 0.974 343 K CB -2.046 30.452 32.500 -0.003 0.000 0.734 343 K HN 0.431 nan 8.250 nan 0.000 0.447 344 P HA 0.035 nan 4.420 nan 0.000 0.260 344 P C -0.598 176.627 177.300 -0.126 0.000 1.207 344 P CA 0.227 63.240 63.100 -0.146 0.000 0.780 344 P CB 0.172 31.667 31.700 -0.341 0.000 0.789 345 R N 5.936 126.394 120.500 -0.070 0.000 2.504 345 R HA 0.051 4.384 4.340 -0.013 0.000 0.291 345 R C -2.065 174.215 176.300 -0.032 0.000 0.974 345 R CA -1.134 54.937 56.100 -0.048 0.000 1.077 345 R CB -0.386 29.928 30.300 0.023 0.000 0.926 345 R HN 0.323 nan 8.270 nan 0.000 0.407 346 P HA 0.033 nan 4.420 nan 0.000 0.264 346 P C 0.275 177.659 177.300 0.141 0.000 1.193 346 P CA 0.938 64.048 63.100 0.018 0.000 0.763 346 P CB 0.983 32.671 31.700 -0.021 0.000 0.810 347 G N 1.926 110.782 108.800 0.094 0.000 2.225 347 G HA2 -0.203 3.749 3.960 -0.013 0.000 0.254 347 G HA3 -0.203 3.749 3.960 -0.013 0.000 0.254 347 G C 0.456 175.360 174.900 0.007 0.000 0.988 347 G CA 0.022 45.157 45.100 0.058 0.000 0.625 347 G HN 0.853 nan 8.290 nan 0.000 0.527 348 A N -0.304 122.527 122.820 0.020 0.000 2.407 348 A HA 0.568 4.881 4.320 -0.013 0.000 0.248 348 A C 1.026 178.612 177.584 0.003 0.000 1.082 348 A CA 0.580 52.617 52.037 -0.001 0.000 0.785 348 A CB 0.317 19.319 19.000 0.003 0.000 1.020 348 A HN 1.076 nan 8.150 nan 0.000 0.489 349 c N 2.058 120.659 118.600 0.001 0.000 2.605 349 c HA 0.288 4.850 4.570 -0.013 0.000 0.404 349 c C 0.749 174.858 174.090 0.032 0.000 1.284 349 c CA -0.704 55.638 56.329 0.022 0.000 2.199 349 c CB -0.456 42.065 42.510 0.018 0.000 2.647 349 c HN 0.623 nan 8.230 nan 0.000 0.604 350 I N 4.572 125.170 120.570 0.047 0.000 2.662 350 I HA 0.090 4.252 4.170 -0.013 0.000 0.285 350 I C 0.688 176.839 176.117 0.057 0.000 1.161 350 I CA 0.890 62.224 61.300 0.057 0.000 1.415 350 I CB -0.710 37.334 38.000 0.073 0.000 1.385 350 I HN 0.788 nan 8.210 nan 0.000 0.552 351 D N 3.944 124.379 120.400 0.060 0.000 2.784 351 D HA 0.302 4.935 4.640 -0.013 0.000 0.256 351 D C 0.713 177.050 176.300 0.062 0.000 1.129 351 D CA -0.380 53.654 54.000 0.055 0.000 1.102 351 D CB 0.579 41.408 40.800 0.048 0.000 1.330 351 D HN 0.300 nan 8.370 nan 0.000 0.626 352 S N 0.365 116.097 115.700 0.054 0.000 2.359 352 S HA -0.268 4.194 4.470 -0.013 0.000 0.222 352 S C 1.685 176.320 174.600 0.059 0.000 1.038 352 S CA 1.843 60.074 58.200 0.051 0.000 1.051 352 S CB -0.789 62.438 63.200 0.044 0.000 0.944 352 S HN 0.630 nan 8.310 nan 0.000 0.433 353 E N 2.443 122.682 120.200 0.065 0.000 2.023 353 E HA -0.089 4.253 4.350 -0.013 0.000 0.196 353 E C 2.475 179.142 176.600 0.111 0.000 1.003 353 E CA 1.119 57.564 56.400 0.075 0.000 0.809 353 E CB -0.608 29.136 29.700 0.073 0.000 0.755 353 E HN 0.555 nan 8.360 nan 0.000 0.449 354 A N 1.317 124.216 122.820 0.131 0.000 1.892 354 A HA -0.274 4.039 4.320 -0.013 0.000 0.218 354 A C 2.172 179.891 177.584 0.225 0.000 1.188 354 A CA 1.998 54.169 52.037 0.224 0.000 0.631 354 A CB -0.552 18.535 19.000 0.145 0.000 0.822 354 A HN 0.082 nan 8.150 nan 0.000 0.447 355 R N -0.793 119.784 120.500 0.129 0.000 2.075 355 R HA 0.021 4.354 4.340 -0.013 0.000 0.232 355 R C 1.635 177.963 176.300 0.046 0.000 1.126 355 R CA 0.968 57.120 56.100 0.086 0.000 0.963 355 R CB -0.326 30.012 30.300 0.064 0.000 0.858 355 R HN 0.438 nan 8.270 nan 0.000 0.435 356 A N -0.241 122.607 122.820 0.047 0.000 2.604 356 A HA 0.374 4.687 4.320 -0.013 0.000 0.248 356 A C 0.546 178.134 177.584 0.007 0.000 1.466 356 A CA 0.728 52.779 52.037 0.023 0.000 1.222 356 A CB -0.191 18.827 19.000 0.029 0.000 0.945 356 A HN 0.370 nan 8.150 nan 0.000 0.600 357 A N -0.616 122.186 122.820 -0.029 0.000 2.449 357 A HA 0.420 4.732 4.320 -0.013 0.000 0.238 357 A C 0.469 177.844 177.584 -0.348 0.000 1.009 357 A CA 0.498 52.462 52.037 -0.122 0.000 1.136 357 A CB -0.784 18.209 19.000 -0.012 0.000 1.152 357 A HN 0.679 nan 8.150 nan 0.000 0.469 358 N N -2.341 116.230 118.700 -0.216 0.000 2.967 358 N HA -0.216 4.516 4.740 -0.013 0.000 0.212 358 N C -0.811 174.585 175.510 -0.190 0.000 0.884 358 N CA 1.094 54.010 53.050 -0.223 0.000 1.030 358 N CB -1.151 37.168 38.487 -0.280 0.000 1.018 358 N HN 0.484 nan 8.380 nan 0.000 0.596 359 Y N 1.185 121.496 120.300 0.019 0.000 2.620 359 Y HA 0.107 4.650 4.550 -0.012 0.000 0.352 359 Y C 1.838 177.753 175.900 0.025 0.000 1.140 359 Y CA 0.732 58.845 58.100 0.023 0.000 1.529 359 Y CB 0.063 38.538 38.460 0.024 0.000 1.321 359 Y HN 0.144 nan 8.280 nan 0.000 0.501 360 T N -2.467 112.173 114.554 0.144 0.000 3.044 360 T HA 0.120 4.462 4.350 -0.013 0.000 0.255 360 T C 0.722 175.480 174.700 0.097 0.000 1.073 360 T CA 0.519 62.677 62.100 0.096 0.000 1.125 360 T CB 0.166 69.070 68.868 0.059 0.000 0.908 360 T HN 0.424 nan 8.240 nan 0.000 0.480 361 S N 0.294 116.059 115.700 0.109 0.000 2.618 361 S HA 0.486 4.948 4.470 -0.013 0.000 0.277 361 S C 1.195 175.850 174.600 0.091 0.000 1.138 361 S CA 0.080 58.334 58.200 0.089 0.000 0.844 361 S CB 1.597 64.840 63.200 0.072 0.000 1.127 361 S HN 0.311 nan 8.310 nan 0.000 0.474 362 S N 1.957 117.701 115.700 0.074 0.000 2.419 362 S HA -0.109 4.353 4.470 -0.013 0.000 0.235 362 S C 1.761 176.394 174.600 0.055 0.000 1.019 362 S CA 1.408 59.644 58.200 0.060 0.000 0.982 362 S CB -1.053 62.188 63.200 0.069 0.000 0.789 362 S HN 0.685 nan 8.310 nan 0.000 0.490 363 L N 2.025 123.282 121.223 0.057 0.000 2.353 363 L HA -0.066 4.267 4.340 -0.013 0.000 0.220 363 L C 1.484 178.395 176.870 0.067 0.000 1.133 363 L CA 1.272 56.142 54.840 0.050 0.000 0.798 363 L CB -0.800 41.283 42.059 0.041 0.000 0.922 363 L HN 0.613 nan 8.230 nan 0.000 0.445 364 N N -1.386 117.375 118.700 0.102 0.000 2.282 364 N HA 0.168 4.900 4.740 -0.013 0.000 0.240 364 N C -0.149 175.492 175.510 0.219 0.000 1.182 364 N CA -0.238 52.903 53.050 0.151 0.000 0.874 364 N CB -0.041 38.543 38.487 0.161 0.000 1.126 364 N HN 0.108 nan 8.380 nan 0.000 0.516 365 L N 0.427 121.696 121.223 0.076 0.000 2.436 365 L HA 0.424 4.756 4.340 -0.013 0.000 0.265 365 L C -1.858 174.986 176.870 -0.042 0.000 1.168 365 L CA -1.929 52.844 54.840 -0.112 0.000 0.815 365 L CB 0.524 42.506 42.059 -0.129 0.000 1.109 365 L HN 0.018 nan 8.230 nan 0.000 0.462 366 P HA 0.018 nan 4.420 nan 0.000 0.269 366 P C -0.270 177.030 177.300 0.000 0.000 1.209 366 P CA -0.215 62.885 63.100 0.001 0.000 0.776 366 P CB 0.554 32.247 31.700 -0.010 0.000 0.876 367 D N 1.194 121.611 120.400 0.029 0.000 2.264 367 D HA -0.135 4.497 4.640 -0.013 0.000 0.208 367 D C 1.629 177.953 176.300 0.040 0.000 0.966 367 D CA 1.216 55.237 54.000 0.036 0.000 0.864 367 D CB 0.037 40.860 40.800 0.039 0.000 0.933 367 D HN 0.453 nan 8.370 nan 0.000 0.499 368 K N 0.253 120.671 120.400 0.030 0.000 2.002 368 K HA -0.106 4.206 4.320 -0.013 0.000 0.209 368 K C 1.941 178.562 176.600 0.035 0.000 1.048 368 K CA 1.448 57.756 56.287 0.035 0.000 0.930 368 K CB -0.037 32.472 32.500 0.014 0.000 0.714 368 K HN -0.095 nan 8.250 nan 0.000 0.438 369 T N 1.671 116.214 114.554 -0.019 0.000 2.788 369 T HA -0.088 4.254 4.350 -0.013 0.000 0.268 369 T C 1.664 176.388 174.700 0.040 0.000 1.044 369 T CA 1.226 63.300 62.100 -0.043 0.000 1.139 369 T CB -0.064 68.734 68.868 -0.117 0.000 0.867 369 T HN 0.158 nan 8.240 nan 0.000 0.454 370 L N 0.598 121.849 121.223 0.047 0.000 2.109 370 L HA -0.059 4.273 4.340 -0.013 0.000 0.207 370 L C 2.786 179.732 176.870 0.127 0.000 1.086 370 L CA 1.143 56.035 54.840 0.087 0.000 0.760 370 L CB -0.510 41.589 42.059 0.068 0.000 0.910 370 L HN 0.240 nan 8.230 nan 0.000 0.437 371 Q N 0.097 119.965 119.800 0.115 0.000 2.119 371 Q HA -0.200 4.132 4.340 -0.013 0.000 0.201 371 Q C 2.007 178.093 176.000 0.144 0.000 0.972 371 Q CA 1.637 57.511 55.803 0.118 0.000 0.847 371 Q CB -0.345 28.447 28.738 0.090 0.000 0.903 371 Q HN 0.379 nan 8.270 nan 0.000 0.433 372 F N -0.825 119.117 119.950 -0.014 0.000 2.075 372 F HA -0.193 4.327 4.527 -0.013 0.000 0.297 372 F C 2.119 177.925 175.800 0.011 0.000 1.113 372 F CA 1.518 59.466 58.000 -0.087 0.000 1.218 372 F CB -0.486 38.337 39.000 -0.295 0.000 0.984 372 F HN 0.015 nan 8.300 nan 0.000 0.472 373 V N 0.949 121.023 119.914 0.267 0.000 2.392 373 V HA -0.319 3.793 4.120 -0.013 0.000 0.249 373 V C 2.456 178.642 176.094 0.152 0.000 1.059 373 V CA 2.376 64.794 62.300 0.198 0.000 1.051 373 V CB -0.550 31.374 31.823 0.168 0.000 0.658 373 V HN 0.424 nan 8.190 nan 0.000 0.455 374 K N -0.884 119.656 120.400 0.233 0.000 2.280 374 K HA -0.174 4.138 4.320 -0.013 0.000 0.202 374 K C 1.214 178.007 176.600 0.323 0.000 1.047 374 K CA 1.767 58.289 56.287 0.392 0.000 0.942 374 K CB -0.057 32.643 32.500 0.334 0.000 0.739 374 K HN 0.504 nan 8.250 nan 0.000 0.457 375 D N -0.974 119.504 120.400 0.131 0.000 2.417 375 D HA 0.040 4.672 4.640 -0.013 0.000 0.207 375 D C -0.249 175.864 176.300 -0.311 0.000 1.075 375 D CA 0.452 54.418 54.000 -0.056 0.000 0.851 375 D CB 0.449 41.137 40.800 -0.188 0.000 0.976 375 D HN 0.240 nan 8.370 nan 0.000 0.505 376 H N -0.434 118.530 119.070 -0.177 0.000 2.386 376 H HA 0.241 4.789 4.556 -0.013 0.000 0.232 376 H C -1.824 173.544 175.328 0.068 0.000 1.416 376 H CA -1.371 54.626 56.048 -0.086 0.000 1.285 376 H CB 1.001 30.482 29.762 -0.468 0.000 1.625 376 H HN -0.039 nan 8.280 nan 0.000 0.521 377 P HA -0.049 nan 4.420 nan 0.000 0.231 377 P C 0.073 177.333 177.300 -0.065 0.000 1.168 377 P CA 0.201 63.233 63.100 -0.113 0.000 0.779 377 P CB 0.707 32.179 31.700 -0.380 0.000 0.844 378 L N 0.435 121.659 121.223 0.001 0.000 2.289 378 L HA 0.368 4.700 4.340 -0.013 0.000 0.285 378 L C -0.019 176.883 176.870 0.053 0.000 1.049 378 L CA -0.601 54.208 54.840 -0.053 0.000 0.804 378 L CB 0.358 42.278 42.059 -0.232 0.000 1.195 378 L HN -0.234 nan 8.230 nan 0.000 0.428 379 M N 2.939 122.521 119.600 -0.031 0.000 2.288 379 M HA 0.164 4.636 4.480 -0.013 0.000 0.334 379 M C 0.791 177.057 176.300 -0.057 0.000 1.150 379 M CA -0.090 55.158 55.300 -0.086 0.000 1.118 379 M CB 0.711 33.184 32.600 -0.212 0.000 1.501 379 M HN 0.644 nan 8.290 nan 0.000 0.462 380 D N 0.446 120.832 120.400 -0.023 0.000 2.213 380 D HA -0.049 4.583 4.640 -0.013 0.000 0.205 380 D C -0.401 175.876 176.300 -0.038 0.000 0.961 380 D CA 0.945 54.951 54.000 0.010 0.000 0.853 380 D CB 0.492 41.336 40.800 0.074 0.000 0.967 380 D HN 0.470 nan 8.370 nan 0.000 0.496 381 D N -0.035 120.316 120.400 -0.082 0.000 2.313 381 D HA 0.189 4.822 4.640 -0.013 0.000 0.247 381 D C -0.328 175.900 176.300 -0.119 0.000 1.094 381 D CA 0.046 53.993 54.000 -0.088 0.000 0.925 381 D CB 1.588 42.326 40.800 -0.104 0.000 1.188 381 D HN -0.082 nan 8.370 nan 0.000 0.430 382 S N 0.094 115.748 115.700 -0.077 0.000 2.578 382 S HA 0.355 4.817 4.470 -0.013 0.000 0.283 382 S C -0.049 174.504 174.600 -0.078 0.000 1.195 382 S CA -0.829 57.329 58.200 -0.070 0.000 1.050 382 S CB 1.477 64.672 63.200 -0.008 0.000 1.012 382 S HN 0.147 nan 8.310 nan 0.000 0.511 383 V N 3.875 123.731 119.914 -0.096 0.000 2.385 383 V HA 0.314 4.427 4.120 -0.013 0.000 0.269 383 V C 0.662 176.814 176.094 0.096 0.000 1.043 383 V CA -0.485 61.779 62.300 -0.059 0.000 0.906 383 V CB 0.555 32.285 31.823 -0.156 0.000 0.995 383 V HN 1.043 nan 8.190 nan 0.000 0.467 384 T N 5.123 119.772 114.554 0.158 0.000 2.929 384 T HA 0.621 4.963 4.350 -0.013 0.000 0.284 384 T C -2.565 172.288 174.700 0.256 0.000 1.014 384 T CA -2.148 60.076 62.100 0.207 0.000 1.051 384 T CB 1.942 70.853 68.868 0.072 0.000 1.028 384 T HN 0.439 nan 8.240 nan 0.000 0.485 385 P HA 0.345 nan 4.420 nan 0.000 0.274 385 P C -0.144 177.025 177.300 -0.218 0.000 1.246 385 P CA -0.797 62.035 63.100 -0.445 0.000 0.795 385 P CB 0.452 31.765 31.700 -0.644 0.000 1.006 386 I N 1.559 121.975 120.570 -0.256 0.000 2.668 386 I HA -0.096 4.067 4.170 -0.013 0.000 0.285 386 I C 0.715 176.754 176.117 -0.131 0.000 1.168 386 I CA 1.109 62.320 61.300 -0.147 0.000 1.424 386 I CB -0.514 37.394 38.000 -0.154 0.000 1.377 386 I HN 0.459 nan 8.210 nan 0.000 0.560 387 D N 3.910 124.260 120.400 -0.083 0.000 3.006 387 D HA -0.241 4.392 4.640 -0.013 0.000 0.205 387 D C 0.449 176.708 176.300 -0.069 0.000 1.075 387 D CA 1.069 55.028 54.000 -0.068 0.000 1.000 387 D CB -1.417 39.341 40.800 -0.069 0.000 1.097 387 D HN 0.875 nan 8.370 nan 0.000 0.426 388 N N -0.792 117.863 118.700 -0.076 0.000 2.708 388 N HA -0.302 4.430 4.740 -0.013 0.000 0.251 388 N C -0.023 175.442 175.510 -0.076 0.000 1.123 388 N CA 1.814 54.825 53.050 -0.065 0.000 0.739 388 N CB -0.481 37.981 38.487 -0.041 0.000 1.113 388 N HN 0.751 nan 8.380 nan 0.000 0.561 389 R N -2.646 117.792 120.500 -0.103 0.000 2.739 389 R HA 0.704 5.037 4.340 -0.013 0.000 0.271 389 R C -3.336 172.882 176.300 -0.136 0.000 1.010 389 R CA -1.831 54.209 56.100 -0.101 0.000 0.897 389 R CB 1.014 31.266 30.300 -0.081 0.000 1.236 389 R HN -0.259 nan 8.270 nan 0.000 0.466 390 P HA 0.195 nan 4.420 nan 0.000 0.272 390 P C -0.225 177.006 177.300 -0.115 0.000 1.223 390 P CA -0.590 62.420 63.100 -0.150 0.000 0.784 390 P CB 0.844 32.434 31.700 -0.182 0.000 0.923 391 R N 1.315 121.759 120.500 -0.094 0.000 2.153 391 R HA 0.278 4.610 4.340 -0.013 0.000 0.218 391 R C 0.323 176.617 176.300 -0.010 0.000 1.072 391 R CA 0.677 56.753 56.100 -0.041 0.000 0.990 391 R CB -0.643 29.658 30.300 0.002 0.000 0.889 391 R HN 0.505 nan 8.270 nan 0.000 0.452 392 L N -0.270 120.939 121.223 -0.022 0.000 2.611 392 L HA 0.469 4.801 4.340 -0.013 0.000 0.260 392 L C -1.760 175.094 176.870 -0.027 0.000 0.924 392 L CA -0.620 54.225 54.840 0.008 0.000 0.901 392 L CB 1.572 43.668 42.059 0.061 0.000 1.369 392 L HN -0.109 nan 8.230 nan 0.000 0.415 393 I N 4.125 124.684 120.570 -0.018 0.000 2.466 393 I HA 0.491 4.653 4.170 -0.013 0.000 0.289 393 I C -0.911 175.322 176.117 0.193 0.000 1.026 393 I CA -0.568 60.719 61.300 -0.020 0.000 1.078 393 I CB 2.103 40.010 38.000 -0.155 0.000 1.249 393 I HN 0.461 nan 8.210 nan 0.000 0.429 394 K N 6.254 126.797 120.400 0.238 0.000 2.443 394 K HA 0.491 4.803 4.320 -0.013 0.000 0.252 394 K C -1.165 175.548 176.600 0.187 0.000 0.933 394 K CA -0.637 55.795 56.287 0.242 0.000 0.792 394 K CB 1.644 34.235 32.500 0.152 0.000 1.185 394 K HN 0.360 nan 8.250 nan 0.000 0.425 395 K N 2.271 122.753 120.400 0.136 0.000 2.098 395 K HA 0.192 4.504 4.320 -0.013 0.000 0.257 395 K C -0.700 175.874 176.600 -0.043 0.000 0.999 395 K CA -0.382 55.891 56.287 -0.023 0.000 0.924 395 K CB 0.719 33.063 32.500 -0.260 0.000 1.028 395 K HN 0.812 nan 8.250 nan 0.000 0.466 396 D N -0.107 120.262 120.400 -0.051 0.000 2.800 396 D HA -0.157 4.475 4.640 -0.013 0.000 0.232 396 D C -0.883 175.382 176.300 -0.059 0.000 1.137 396 D CA 0.698 54.671 54.000 -0.045 0.000 0.718 396 D CB -1.043 39.735 40.800 -0.036 0.000 1.084 396 D HN 0.177 nan 8.370 nan 0.000 0.432 397 V N 0.446 120.288 119.914 -0.119 0.000 2.924 397 V HA 0.322 4.434 4.120 -0.013 0.000 0.300 397 V C -1.528 174.403 176.094 -0.271 0.000 1.227 397 V CA -0.849 61.314 62.300 -0.229 0.000 0.954 397 V CB 2.270 33.830 31.823 -0.438 0.000 1.055 397 V HN 0.032 nan 8.190 nan 0.000 0.429 398 N N 5.406 124.007 118.700 -0.165 0.000 2.609 398 N HA 0.397 5.129 4.740 -0.013 0.000 0.234 398 N C -1.208 174.298 175.510 -0.006 0.000 1.001 398 N CA -0.204 52.807 53.050 -0.064 0.000 0.926 398 N CB 0.846 39.342 38.487 0.014 0.000 1.130 398 N HN 0.550 nan 8.380 nan 0.000 0.510 399 Y N 0.589 120.905 120.300 0.026 0.000 2.346 399 Y HA 0.087 4.633 4.550 -0.008 0.000 0.330 399 Y C 2.119 178.036 175.900 0.028 0.000 1.178 399 Y CA -0.421 57.680 58.100 0.001 0.000 1.331 399 Y CB 0.821 39.277 38.460 -0.008 0.000 1.253 399 Y HN 0.434 nan 8.280 nan 0.000 0.529 400 T N -2.058 112.621 114.554 0.208 0.000 2.978 400 T HA 0.270 4.612 4.350 -0.013 0.000 0.248 400 T C 0.235 174.987 174.700 0.087 0.000 1.018 400 T CA 0.044 62.222 62.100 0.131 0.000 1.026 400 T CB 0.544 69.485 68.868 0.121 0.000 1.032 400 T HN 0.459 nan 8.240 nan 0.000 0.485 401 Q N -0.080 119.757 119.800 0.061 0.000 2.511 401 Q HA 0.656 4.989 4.340 -0.013 0.000 0.289 401 Q C -1.709 174.267 176.000 -0.040 0.000 1.021 401 Q CA -0.735 55.081 55.803 0.022 0.000 0.785 401 Q CB 3.144 31.915 28.738 0.053 0.000 1.472 401 Q HN 0.464 nan 8.270 nan 0.000 0.411 402 I N 0.558 121.090 120.570 -0.063 0.000 2.722 402 I HA 0.584 4.746 4.170 -0.013 0.000 0.292 402 I C -1.455 174.523 176.117 -0.231 0.000 1.267 402 I CA -0.921 60.299 61.300 -0.134 0.000 1.036 402 I CB 1.945 39.869 38.000 -0.126 0.000 1.281 402 I HN 0.478 nan 8.210 nan 0.000 0.423 403 V N 4.911 124.589 119.914 -0.393 0.000 2.876 403 V HA 0.797 4.909 4.120 -0.013 0.000 0.312 403 V C -1.336 174.231 176.094 -0.878 0.000 1.085 403 V CA -0.575 61.150 62.300 -0.959 0.000 0.945 403 V CB 1.683 33.169 31.823 -0.561 0.000 1.017 403 V HN 0.447 nan 8.190 nan 0.000 0.428 404 V N 2.311 121.368 119.914 -1.428 0.000 2.588 404 V HA 0.577 4.689 4.120 -0.013 0.000 0.304 404 V C -1.083 174.853 176.094 -0.264 0.000 1.042 404 V CA -0.167 61.749 62.300 -0.639 0.000 0.877 404 V CB 1.687 33.042 31.823 -0.780 0.000 0.996 404 V HN 1.107 nan 8.190 nan 0.000 0.425 405 D N 2.894 123.298 120.400 0.007 0.000 2.344 405 D HA 0.396 5.028 4.640 -0.013 0.000 0.239 405 D C -0.093 176.270 176.300 0.105 0.000 1.064 405 D CA -0.547 53.527 54.000 0.124 0.000 0.829 405 D CB 1.272 42.257 40.800 0.308 0.000 1.129 405 D HN 0.546 nan 8.370 nan 0.000 0.506 406 R N 2.863 123.413 120.500 0.082 0.000 2.216 406 R HA 0.490 4.822 4.340 -0.013 0.000 0.332 406 R C -0.845 175.489 176.300 0.057 0.000 1.056 406 R CA -0.199 55.935 56.100 0.057 0.000 0.901 406 R CB 0.807 31.136 30.300 0.049 0.000 1.039 406 R HN 0.339 nan 8.270 nan 0.000 0.456 407 T N 2.511 117.088 114.554 0.039 0.000 2.906 407 T HA 0.224 4.566 4.350 -0.013 0.000 0.295 407 T C -1.374 173.371 174.700 0.075 0.000 1.075 407 T CA -0.566 61.552 62.100 0.031 0.000 1.005 407 T CB 1.685 70.492 68.868 -0.103 0.000 1.136 407 T HN 0.656 nan 8.240 nan 0.000 0.498 408 Q N 1.788 121.677 119.800 0.147 0.000 2.325 408 Q HA 0.659 4.992 4.340 -0.013 0.000 0.262 408 Q C -0.310 175.832 176.000 0.237 0.000 0.968 408 Q CA -0.774 55.143 55.803 0.190 0.000 0.877 408 Q CB 1.585 30.413 28.738 0.152 0.000 1.253 408 Q HN 0.863 nan 8.270 nan 0.000 0.448 409 A N 2.447 125.395 122.820 0.214 0.000 2.386 409 A HA 0.021 4.333 4.320 -0.013 0.000 0.246 409 A C 0.922 178.557 177.584 0.085 0.000 1.089 409 A CA -0.314 51.807 52.037 0.141 0.000 0.790 409 A CB 0.200 19.356 19.000 0.260 0.000 1.042 409 A HN 0.898 nan 8.150 nan 0.000 0.497 410 L N 0.483 121.721 121.223 0.024 0.000 2.103 410 L HA -0.199 4.133 4.340 -0.013 0.000 0.215 410 L C 1.819 178.712 176.870 0.039 0.000 1.080 410 L CA 2.812 57.658 54.840 0.011 0.000 0.764 410 L CB -0.695 41.365 42.059 0.002 0.000 0.890 410 L HN 0.884 nan 8.230 nan 0.000 0.435 411 D N -1.862 118.567 120.400 0.048 0.000 2.324 411 D HA 0.114 4.746 4.640 -0.013 0.000 0.235 411 D C 1.601 177.922 176.300 0.035 0.000 1.095 411 D CA 0.734 54.757 54.000 0.038 0.000 0.871 411 D CB -0.344 40.477 40.800 0.035 0.000 0.906 411 D HN 0.422 nan 8.370 nan 0.000 0.522 412 G N -0.268 108.563 108.800 0.051 0.000 2.253 412 G HA2 -0.292 3.660 3.960 -0.013 0.000 0.251 412 G HA3 -0.292 3.660 3.960 -0.013 0.000 0.251 412 G C 0.533 175.434 174.900 0.001 0.000 0.998 412 G CA 0.357 45.477 45.100 0.034 0.000 0.621 412 G HN 0.486 nan 8.290 nan 0.000 0.524 413 T N 1.429 115.975 114.554 -0.015 0.000 2.902 413 T HA 0.408 4.750 4.350 -0.013 0.000 0.301 413 T C 0.543 175.128 174.700 -0.192 0.000 1.012 413 T CA 0.211 62.224 62.100 -0.144 0.000 1.151 413 T CB 2.218 70.964 68.868 -0.203 0.000 0.946 413 T HN 0.469 nan 8.240 nan 0.000 0.542 414 V N 4.289 124.040 119.914 -0.272 0.000 2.439 414 V HA 0.379 4.492 4.120 -0.013 0.000 0.282 414 V C -0.759 175.121 176.094 -0.358 0.000 1.039 414 V CA -0.540 61.646 62.300 -0.190 0.000 0.913 414 V CB 0.495 32.255 31.823 -0.106 0.000 0.983 414 V HN 0.761 nan 8.190 nan 0.000 0.460 415 Y N 1.631 121.899 120.300 -0.054 0.000 2.446 415 Y HA 0.458 5.000 4.550 -0.014 0.000 0.345 415 Y C -0.087 175.774 175.900 -0.065 0.000 0.984 415 Y CA -1.120 56.941 58.100 -0.066 0.000 1.058 415 Y CB 1.733 40.127 38.460 -0.111 0.000 1.220 415 Y HN 0.529 nan 8.280 nan 0.000 0.455 416 D N 2.461 122.927 120.400 0.111 0.000 2.500 416 D HA 0.252 4.884 4.640 -0.013 0.000 0.219 416 D C -0.778 175.499 176.300 -0.039 0.000 1.137 416 D CA -0.049 53.966 54.000 0.025 0.000 0.946 416 D CB 0.807 41.647 40.800 0.067 0.000 1.022 416 D HN 0.143 nan 8.370 nan 0.000 0.518 417 V N 3.357 123.237 119.914 -0.057 0.000 2.470 417 V HA 0.129 4.241 4.120 -0.013 0.000 0.276 417 V C 0.785 176.718 176.094 -0.269 0.000 1.040 417 V CA -0.105 62.094 62.300 -0.168 0.000 1.008 417 V CB 0.367 32.112 31.823 -0.130 0.000 0.990 417 V HN 0.353 nan 8.190 nan 0.000 0.477 418 M N 6.117 125.509 119.600 -0.347 0.000 2.144 418 M HA 0.486 4.959 4.480 -0.013 0.000 0.356 418 M C -1.025 175.010 176.300 -0.441 0.000 1.217 418 M CA 0.145 55.245 55.300 -0.334 0.000 1.087 418 M CB 0.808 33.269 32.600 -0.233 0.000 1.609 418 M HN 0.431 nan 8.290 nan 0.000 0.467 419 F N 3.275 123.083 119.950 -0.237 0.000 2.402 419 F HA 0.541 5.060 4.527 -0.013 0.000 0.355 419 F C -0.064 175.598 175.800 -0.229 0.000 1.123 419 F CA -1.025 56.866 58.000 -0.182 0.000 1.021 419 F CB 1.283 40.180 39.000 -0.171 0.000 1.160 419 F HN 0.314 nan 8.300 nan 0.000 0.451 420 V N 0.836 120.668 119.914 -0.137 0.000 2.531 420 V HA 0.792 4.904 4.120 -0.013 0.000 0.301 420 V C -0.212 175.755 176.094 -0.212 0.000 1.034 420 V CA -0.748 61.365 62.300 -0.312 0.000 0.865 420 V CB 1.112 32.450 31.823 -0.809 0.000 0.995 420 V HN 0.676 nan 8.190 nan 0.000 0.424 421 S N 3.510 119.177 115.700 -0.055 0.000 2.693 421 S HA 0.855 5.317 4.470 -0.013 0.000 0.276 421 S C 0.275 174.970 174.600 0.157 0.000 1.192 421 S CA 0.036 58.281 58.200 0.075 0.000 0.994 421 S CB 1.571 64.850 63.200 0.132 0.000 1.012 421 S HN 1.675 nan 8.310 nan 0.000 0.550 422 T N -2.381 112.281 114.554 0.179 0.000 2.926 422 T HA 0.427 4.770 4.350 -0.013 0.000 0.289 422 T C 0.116 174.911 174.700 0.159 0.000 1.054 422 T CA -0.501 61.708 62.100 0.181 0.000 1.015 422 T CB 1.309 70.252 68.868 0.126 0.000 1.167 422 T HN 0.658 nan 8.240 nan 0.000 0.526 423 D N -0.147 120.330 120.400 0.128 0.000 2.371 423 D HA -0.029 4.604 4.640 -0.013 0.000 0.234 423 D C 0.936 177.319 176.300 0.138 0.000 1.049 423 D CA -0.044 54.025 54.000 0.115 0.000 0.907 423 D CB 0.035 40.888 40.800 0.088 0.000 0.891 423 D HN 0.353 nan 8.370 nan 0.000 0.531 424 R N -0.484 120.125 120.500 0.182 0.000 2.577 424 R HA 0.294 4.626 4.340 -0.013 0.000 0.344 424 R C 1.107 177.612 176.300 0.340 0.000 1.037 424 R CA 0.307 56.568 56.100 0.270 0.000 1.102 424 R CB 0.367 30.827 30.300 0.267 0.000 1.313 424 R HN 0.283 nan 8.270 nan 0.000 0.561 425 G N 0.745 109.713 108.800 0.279 0.000 2.136 425 G HA2 -0.288 3.664 3.960 -0.013 0.000 0.242 425 G HA3 -0.288 3.664 3.960 -0.013 0.000 0.242 425 G C 0.196 175.295 174.900 0.332 0.000 0.989 425 G CA 0.368 45.683 45.100 0.358 0.000 0.682 425 G HN 0.550 nan 8.290 nan 0.000 0.522 426 A N -1.084 121.901 122.820 0.275 0.000 2.282 426 A HA 0.983 5.296 4.320 -0.013 0.000 0.324 426 A C -0.466 177.265 177.584 0.245 0.000 1.119 426 A CA -0.379 51.814 52.037 0.260 0.000 0.880 426 A CB 1.718 20.897 19.000 0.299 0.000 1.294 426 A HN 1.520 nan 8.150 nan 0.000 0.493 427 L N 0.251 121.643 121.223 0.281 0.000 2.438 427 L HA 0.477 4.809 4.340 -0.013 0.000 0.270 427 L C -0.976 176.124 176.870 0.383 0.000 0.972 427 L CA 0.048 55.045 54.840 0.262 0.000 0.831 427 L CB 1.586 43.783 42.059 0.230 0.000 1.273 427 L HN 0.833 nan 8.230 nan 0.000 0.405 428 H N 3.554 122.681 119.070 0.096 0.000 2.472 428 H HA 0.430 4.978 4.556 -0.013 0.000 0.338 428 H C -0.983 174.296 175.328 -0.082 0.000 1.133 428 H CA -1.021 55.050 56.048 0.038 0.000 1.216 428 H CB 2.186 31.985 29.762 0.062 0.000 1.497 428 H HN 0.415 nan 8.280 nan 0.000 0.500 429 K N 2.222 122.603 120.400 -0.033 0.000 2.358 429 K HA 0.636 4.948 4.320 -0.013 0.000 0.260 429 K C -1.618 174.814 176.600 -0.279 0.000 0.956 429 K CA -0.579 55.522 56.287 -0.310 0.000 0.834 429 K CB 1.184 33.514 32.500 -0.283 0.000 1.102 429 K HN 0.694 nan 8.250 nan 0.000 0.431 430 A N 4.412 127.041 122.820 -0.319 0.000 2.498 430 A HA 0.794 5.106 4.320 -0.013 0.000 0.298 430 A C -1.109 176.361 177.584 -0.190 0.000 1.075 430 A CA -0.957 50.949 52.037 -0.219 0.000 0.714 430 A CB 0.826 19.755 19.000 -0.118 0.000 1.299 430 A HN 0.793 nan 8.150 nan 0.000 0.407 431 I N -1.121 119.386 120.570 -0.104 0.000 2.802 431 I HA 0.703 4.866 4.170 -0.013 0.000 0.298 431 I C -0.115 176.036 176.117 0.057 0.000 1.176 431 I CA -0.681 60.605 61.300 -0.024 0.000 1.025 431 I CB 2.334 40.304 38.000 -0.050 0.000 1.243 431 I HN 0.554 nan 8.210 nan 0.000 0.424 432 S N 5.391 121.149 115.700 0.097 0.000 2.474 432 S HA 0.466 4.929 4.470 -0.013 0.000 0.276 432 S C -0.367 174.314 174.600 0.135 0.000 1.227 432 S CA -0.393 57.868 58.200 0.102 0.000 1.050 432 S CB 1.013 64.266 63.200 0.088 0.000 0.939 432 S HN 0.598 nan 8.310 nan 0.000 0.490 433 L N 3.893 125.187 121.223 0.119 0.000 2.843 433 L HA 0.434 4.766 4.340 -0.013 0.000 0.234 433 L C 0.268 177.183 176.870 0.076 0.000 1.264 433 L CA -0.321 54.583 54.840 0.107 0.000 1.052 433 L CB -0.585 41.513 42.059 0.065 0.000 1.372 433 L HN 1.038 nan 8.230 nan 0.000 0.466 434 E N 1.614 121.862 120.200 0.080 0.000 0.749 434 E HA -0.304 4.038 4.350 -0.013 0.000 0.362 434 E C 0.097 176.816 176.600 0.199 0.000 0.686 434 E CA 1.384 57.843 56.400 0.098 0.000 1.367 434 E CB -0.201 29.521 29.700 0.037 0.000 0.330 434 E HN 0.611 nan 8.360 nan 0.000 0.366 435 H N -0.409 118.665 119.070 0.007 0.000 4.230 435 H HA 0.075 4.623 4.556 -0.013 0.000 0.125 435 H C -0.368 174.965 175.328 0.007 0.000 0.635 435 H CA 1.006 57.055 56.048 0.002 0.000 1.133 435 H CB -1.586 28.175 29.762 -0.002 0.000 0.527 435 H HN 1.115 nan 8.280 nan 0.000 0.701 436 A N -0.748 122.154 122.820 0.137 0.000 2.415 436 A HA 0.581 4.893 4.320 -0.013 0.000 0.294 436 A C -1.467 176.171 177.584 0.090 0.000 1.019 436 A CA 0.006 52.096 52.037 0.090 0.000 0.603 436 A CB 0.631 19.683 19.000 0.087 0.000 1.382 436 A HN 0.251 nan 8.150 nan 0.000 0.483 437 V N 1.318 121.284 119.914 0.086 0.000 2.427 437 V HA 0.534 4.647 4.120 -0.013 0.000 0.286 437 V C -0.518 175.652 176.094 0.128 0.000 1.034 437 V CA -0.196 62.158 62.300 0.091 0.000 0.893 437 V CB 1.381 33.246 31.823 0.071 0.000 0.982 437 V HN 0.963 nan 8.190 nan 0.000 0.452 438 H N 5.379 124.450 119.070 0.001 0.000 2.581 438 H HA 0.497 5.045 4.556 -0.013 0.000 0.308 438 H C -0.495 174.813 175.328 -0.034 0.000 1.040 438 H CA -0.785 55.250 56.048 -0.021 0.000 1.231 438 H CB 0.817 30.553 29.762 -0.043 0.000 1.396 438 H HN 0.541 nan 8.280 nan 0.000 0.467 439 I N 8.055 128.430 120.570 -0.326 0.000 2.269 439 I HA 0.027 4.189 4.170 -0.013 0.000 0.293 439 I C 1.113 176.886 176.117 -0.572 0.000 1.106 439 I CA -0.143 60.952 61.300 -0.341 0.000 1.248 439 I CB 0.471 38.376 38.000 -0.159 0.000 1.444 439 I HN 0.727 nan 8.210 nan 0.000 0.497 440 I N 4.710 124.889 120.570 -0.651 0.000 2.118 440 I HA -0.250 3.912 4.170 -0.013 0.000 0.241 440 I C 1.231 177.224 176.117 -0.206 0.000 1.070 440 I CA 1.642 62.662 61.300 -0.466 0.000 1.327 440 I CB -0.103 37.778 38.000 -0.198 0.000 1.034 440 I HN 0.709 nan 8.210 nan 0.000 0.405 441 E N 0.612 120.725 120.200 -0.146 0.000 2.439 441 E HA 0.336 4.678 4.350 -0.013 0.000 0.279 441 E C -1.347 175.198 176.600 -0.091 0.000 1.077 441 E CA -0.880 55.451 56.400 -0.115 0.000 0.849 441 E CB 1.604 31.340 29.700 0.059 0.000 1.408 441 E HN 0.220 nan 8.360 nan 0.000 0.457 442 E N 0.781 120.924 120.200 -0.095 0.000 2.292 442 E HA 0.551 4.893 4.350 -0.013 0.000 0.272 442 E C -1.452 175.225 176.600 0.128 0.000 0.881 442 E CA -0.741 55.669 56.400 0.016 0.000 0.754 442 E CB 2.281 31.886 29.700 -0.158 0.000 1.201 442 E HN 0.457 nan 8.360 nan 0.000 0.425 443 T N 2.235 116.929 114.554 0.234 0.000 2.861 443 T HA 0.173 4.516 4.350 -0.013 0.000 0.287 443 T C -0.735 174.063 174.700 0.164 0.000 1.003 443 T CA -0.740 61.486 62.100 0.210 0.000 0.977 443 T CB 1.547 70.564 68.868 0.248 0.000 0.996 443 T HN 0.469 nan 8.240 nan 0.000 0.448 444 Q N 2.906 122.775 119.800 0.115 0.000 2.402 444 Q HA 0.333 4.665 4.340 -0.013 0.000 0.238 444 Q C 0.609 176.644 176.000 0.059 0.000 1.126 444 Q CA -0.198 55.668 55.803 0.105 0.000 0.904 444 Q CB -0.255 28.534 28.738 0.084 0.000 1.357 444 Q HN 0.705 nan 8.270 nan 0.000 0.491 445 L N 2.569 123.810 121.223 0.031 0.000 2.044 445 L HA 0.056 4.389 4.340 -0.013 0.000 0.205 445 L C 0.131 176.821 176.870 -0.300 0.000 1.075 445 L CA 0.692 55.422 54.840 -0.183 0.000 0.747 445 L CB -0.076 41.853 42.059 -0.216 0.000 0.903 445 L HN 0.488 nan 8.230 nan 0.000 0.435 446 F N -0.045 119.960 119.950 0.093 0.000 2.388 446 F HA 0.232 4.751 4.527 -0.013 0.000 0.358 446 F C 1.223 176.906 175.800 -0.194 0.000 1.122 446 F CA -0.626 57.376 58.000 0.004 0.000 1.056 446 F CB 1.215 40.224 39.000 0.014 0.000 1.155 446 F HN -0.100 nan 8.300 nan 0.000 0.461 447 Q N 0.759 120.454 119.800 -0.175 0.000 2.364 447 Q HA -0.157 4.176 4.340 -0.013 0.000 0.207 447 Q C 0.942 176.688 176.000 -0.423 0.000 0.970 447 Q CA 1.315 56.877 55.803 -0.400 0.000 0.888 447 Q CB -0.110 28.374 28.738 -0.422 0.000 0.951 447 Q HN 0.662 nan 8.270 nan 0.000 0.469 448 D N -0.804 119.509 120.400 -0.144 0.000 2.340 448 D HA -0.090 4.542 4.640 -0.013 0.000 0.220 448 D C -0.272 176.144 176.300 0.193 0.000 1.039 448 D CA -0.196 53.824 54.000 0.032 0.000 0.866 448 D CB -0.269 40.577 40.800 0.076 0.000 0.913 448 D HN 0.173 nan 8.370 nan 0.000 0.523 449 F N -0.338 119.699 119.950 0.144 0.000 3.018 449 F HA -0.212 4.307 4.527 -0.013 0.000 0.287 449 F C 0.316 176.175 175.800 0.098 0.000 0.813 449 F CA 0.226 58.306 58.000 0.132 0.000 1.209 449 F CB -2.015 37.039 39.000 0.090 0.000 1.321 449 F HN -0.047 nan 8.300 nan 0.000 0.477 450 E N 2.313 122.614 120.200 0.168 0.000 2.360 450 E HA 0.148 4.490 4.350 -0.013 0.000 0.269 450 E C -1.905 174.704 176.600 0.015 0.000 1.022 450 E CA -1.491 54.926 56.400 0.029 0.000 0.887 450 E CB 0.457 30.059 29.700 -0.162 0.000 0.990 450 E HN -0.030 nan 8.360 nan 0.000 0.426 451 P HA -0.005 nan 4.420 nan 0.000 0.268 451 P C -0.138 177.166 177.300 0.007 0.000 1.205 451 P CA -0.091 63.045 63.100 0.061 0.000 0.771 451 P CB 0.567 32.307 31.700 0.067 0.000 0.858 452 V N 4.241 124.206 119.914 0.085 0.000 2.488 452 V HA 0.035 4.148 4.120 -0.013 0.000 0.277 452 V C 1.648 177.801 176.094 0.100 0.000 1.046 452 V CA 0.570 62.933 62.300 0.105 0.000 0.986 452 V CB 0.368 32.319 31.823 0.213 0.000 0.989 452 V HN 0.565 nan 8.190 nan 0.000 0.475 453 Q N 2.021 121.877 119.800 0.094 0.000 2.392 453 Q HA 0.168 4.500 4.340 -0.013 0.000 0.219 453 Q C 0.696 176.783 176.000 0.145 0.000 0.895 453 Q CA 0.411 56.285 55.803 0.118 0.000 0.929 453 Q CB 1.046 29.860 28.738 0.127 0.000 1.077 453 Q HN 0.773 nan 8.270 nan 0.000 0.532 454 T N -0.279 114.375 114.554 0.167 0.000 2.982 454 T HA 0.543 4.885 4.350 -0.013 0.000 0.321 454 T C -2.194 172.617 174.700 0.184 0.000 1.229 454 T CA -0.552 61.655 62.100 0.178 0.000 1.044 454 T CB 1.194 70.186 68.868 0.207 0.000 1.184 454 T HN -0.078 nan 8.240 nan 0.000 0.477 455 L N 3.856 125.175 121.223 0.160 0.000 2.388 455 L HA 0.948 5.280 4.340 -0.013 0.000 0.264 455 L C -1.587 175.375 176.870 0.153 0.000 0.998 455 L CA -0.818 54.105 54.840 0.138 0.000 0.817 455 L CB 1.892 43.994 42.059 0.073 0.000 1.338 455 L HN 0.696 nan 8.230 nan 0.000 0.414 456 L N 3.640 124.959 121.223 0.158 0.000 2.543 456 L HA 0.567 4.899 4.340 -0.013 0.000 0.265 456 L C -1.811 175.139 176.870 0.133 0.000 0.945 456 L CA -0.299 54.663 54.840 0.204 0.000 0.869 456 L CB 1.713 43.945 42.059 0.288 0.000 1.294 456 L HN 0.406 nan 8.230 nan 0.000 0.405 457 L N 3.318 124.581 121.223 0.066 0.000 2.371 457 L HA 0.558 4.890 4.340 -0.013 0.000 0.272 457 L C 0.559 177.462 176.870 0.055 0.000 1.124 457 L CA 0.515 55.316 54.840 -0.066 0.000 0.816 457 L CB 1.396 43.417 42.059 -0.063 0.000 1.129 457 L HN 0.887 nan 8.230 nan 0.000 0.448 458 S N 1.200 116.878 115.700 -0.036 0.000 2.585 458 S HA 0.307 4.769 4.470 -0.013 0.000 0.273 458 S C 0.796 175.448 174.600 0.086 0.000 1.339 458 S CA 0.078 58.364 58.200 0.144 0.000 1.028 458 S CB 0.889 64.172 63.200 0.139 0.000 0.906 458 S HN 0.689 nan 8.310 nan 0.000 0.528 459 S N -0.039 115.729 115.700 0.113 0.000 2.589 459 S HA 0.258 4.720 4.470 -0.013 0.000 0.235 459 S C 0.314 174.947 174.600 0.055 0.000 1.051 459 S CA -0.424 57.819 58.200 0.071 0.000 0.978 459 S CB -0.388 62.858 63.200 0.077 0.000 0.929 459 S HN 0.698 nan 8.310 nan 0.000 0.523 460 K N 3.471 123.913 120.400 0.071 0.000 2.518 460 K HA 0.077 4.389 4.320 -0.013 0.000 0.276 460 K C -0.047 176.574 176.600 0.034 0.000 0.974 460 K CA 0.309 56.629 56.287 0.054 0.000 0.986 460 K CB 0.240 32.782 32.500 0.072 0.000 0.901 460 K HN 0.079 nan 8.250 nan 0.000 0.497 461 K N 2.122 122.536 120.400 0.023 0.000 2.448 461 K HA 0.232 4.545 4.320 -0.013 0.000 0.278 461 K C 0.464 177.069 176.600 0.009 0.000 1.009 461 K CA 1.220 57.513 56.287 0.010 0.000 0.995 461 K CB 0.326 32.831 32.500 0.008 0.000 0.917 461 K HN 0.910 nan 8.250 nan 0.000 0.481 462 G N 3.048 111.844 108.800 -0.007 0.000 2.317 462 G HA2 -0.213 3.739 3.960 -0.013 0.000 0.196 462 G HA3 -0.213 3.739 3.960 -0.013 0.000 0.196 462 G C -0.930 173.929 174.900 -0.069 0.000 1.255 462 G CA -0.814 44.275 45.100 -0.017 0.000 1.243 462 G HN 0.561 nan 8.290 nan 0.000 0.535 463 N N 1.693 120.333 118.700 -0.099 0.000 2.497 463 N HA 0.490 5.223 4.740 -0.013 0.000 0.268 463 N C 0.420 175.626 175.510 -0.506 0.000 1.171 463 N CA 0.259 53.124 53.050 -0.308 0.000 0.948 463 N CB 0.513 38.816 38.487 -0.307 0.000 1.069 463 N HN 0.546 nan 8.380 nan 0.000 0.460 464 R N 1.507 121.609 120.500 -0.663 0.000 2.428 464 R HA 0.569 4.901 4.340 -0.013 0.000 0.294 464 R C -0.576 175.096 176.300 -1.046 0.000 1.000 464 R CA -0.338 55.390 56.100 -0.621 0.000 0.960 464 R CB 0.917 30.985 30.300 -0.388 0.000 1.076 464 R HN 0.401 nan 8.270 nan 0.000 0.475 465 F N -0.193 119.513 119.950 -0.406 0.000 2.650 465 F HA 0.545 5.064 4.527 -0.014 0.000 0.320 465 F C -0.534 174.823 175.800 -0.738 0.000 1.091 465 F CA -1.123 56.533 58.000 -0.574 0.000 0.962 465 F CB 1.623 40.249 39.000 -0.624 0.000 1.363 465 F HN 0.032 nan 8.300 nan 0.000 0.482 466 V N 0.981 120.567 119.914 -0.547 0.000 2.656 466 V HA 0.456 4.568 4.120 -0.013 0.000 0.307 466 V C -1.387 174.403 176.094 -0.506 0.000 1.051 466 V CA -1.176 60.798 62.300 -0.543 0.000 0.893 466 V CB 1.706 33.244 31.823 -0.475 0.000 0.999 466 V HN 0.576 nan 8.190 nan 0.000 0.426 467 Y N 2.009 122.287 120.300 -0.036 0.000 2.377 467 Y HA 0.787 5.329 4.550 -0.013 0.000 0.339 467 Y C 0.370 176.305 175.900 0.058 0.000 1.011 467 Y CA -0.722 57.380 58.100 0.002 0.000 1.093 467 Y CB 2.057 40.525 38.460 0.013 0.000 1.201 467 Y HN 0.744 nan 8.280 nan 0.000 0.455 468 A N 1.899 124.870 122.820 0.250 0.000 2.343 468 A HA 0.806 5.118 4.320 -0.013 0.000 0.308 468 A C -0.269 177.575 177.584 0.434 0.000 1.092 468 A CA -0.523 51.696 52.037 0.304 0.000 0.751 468 A CB 0.773 19.959 19.000 0.310 0.000 1.203 468 A HN 0.885 nan 8.150 nan 0.000 0.452 469 G N 0.672 109.686 108.800 0.356 0.000 2.416 469 G HA2 0.640 4.592 3.960 -0.013 0.000 0.329 469 G HA3 0.640 4.592 3.960 -0.013 0.000 0.329 469 G C -0.103 174.885 174.900 0.147 0.000 1.173 469 G CA 0.261 45.556 45.100 0.326 0.000 0.929 469 G HN 1.609 nan 8.290 nan 0.000 0.475 470 S N 0.017 115.708 115.700 -0.015 0.000 2.840 470 S HA 0.329 4.792 4.470 -0.013 0.000 0.307 470 S C 0.759 175.388 174.600 0.050 0.000 1.180 470 S CA -0.711 57.355 58.200 -0.222 0.000 0.846 470 S CB 0.999 63.607 63.200 -0.987 0.000 1.233 470 S HN 0.454 nan 8.310 nan 0.000 0.548 471 N N 0.711 119.427 118.700 0.025 0.000 2.223 471 N HA -0.083 4.650 4.740 -0.013 0.000 0.185 471 N C 1.567 177.277 175.510 0.334 0.000 1.016 471 N CA 1.338 54.496 53.050 0.180 0.000 0.863 471 N CB -0.122 38.427 38.487 0.103 0.000 0.983 471 N HN 0.700 nan 8.380 nan 0.000 0.429 472 S N -1.013 114.793 115.700 0.178 0.000 2.548 472 S HA 0.403 4.865 4.470 -0.013 0.000 0.215 472 S C 0.708 175.370 174.600 0.104 0.000 0.976 472 S CA 0.087 58.417 58.200 0.217 0.000 0.908 472 S CB 0.869 64.128 63.200 0.099 0.000 0.781 472 S HN 0.380 nan 8.310 nan 0.000 0.519 473 G N -0.081 108.716 108.800 -0.006 0.000 2.345 473 G HA2 0.369 4.321 3.960 -0.013 0.000 0.285 473 G HA3 0.369 4.321 3.960 -0.013 0.000 0.285 473 G C -1.856 173.015 174.900 -0.049 0.000 1.297 473 G CA -0.299 44.492 45.100 -0.515 0.000 0.875 473 G HN 0.494 nan 8.290 nan 0.000 0.506 474 V N -0.488 119.419 119.914 -0.013 0.000 2.769 474 V HA 0.794 4.907 4.120 -0.013 0.000 0.312 474 V C -0.196 175.995 176.094 0.161 0.000 1.061 474 V CA -0.752 61.683 62.300 0.225 0.000 0.931 474 V CB 1.699 33.633 31.823 0.185 0.000 1.010 474 V HN 0.834 nan 8.190 nan 0.000 0.433 475 V N 3.382 123.366 119.914 0.115 0.000 2.656 475 V HA 0.498 4.610 4.120 -0.013 0.000 0.307 475 V C -0.461 175.626 176.094 -0.012 0.000 1.051 475 V CA -0.565 61.679 62.300 -0.094 0.000 0.893 475 V CB 1.811 33.362 31.823 -0.453 0.000 0.999 475 V HN 0.949 nan 8.190 nan 0.000 0.426 476 Q N 3.064 122.828 119.800 -0.061 0.000 2.322 476 Q HA 0.795 5.127 4.340 -0.013 0.000 0.265 476 Q C -0.932 174.965 176.000 -0.171 0.000 0.985 476 Q CA -0.516 55.232 55.803 -0.092 0.000 0.849 476 Q CB 1.911 30.589 28.738 -0.099 0.000 1.274 476 Q HN 0.940 nan 8.270 nan 0.000 0.449 477 A N 5.154 127.878 122.820 -0.160 0.000 2.435 477 A HA 0.799 5.111 4.320 -0.013 0.000 0.304 477 A C -2.739 174.765 177.584 -0.133 0.000 1.064 477 A CA -1.603 50.355 52.037 -0.132 0.000 0.727 477 A CB 1.659 20.596 19.000 -0.105 0.000 1.284 477 A HN 0.660 nan 8.150 nan 0.000 0.415 478 P HA 0.240 nan 4.420 nan 0.000 0.276 478 P C 0.583 177.502 177.300 -0.635 0.000 1.252 478 P CA -0.375 62.438 63.100 -0.479 0.000 0.802 478 P CB 0.757 32.149 31.700 -0.513 0.000 1.035 479 L N -0.597 120.208 121.223 -0.696 0.000 2.376 479 L HA 0.077 4.410 4.340 -0.013 0.000 0.219 479 L C 1.225 177.745 176.870 -0.583 0.000 1.133 479 L CA 1.114 55.564 54.840 -0.650 0.000 0.816 479 L CB -0.512 41.009 42.059 -0.897 0.000 0.933 479 L HN 0.476 nan 8.230 nan 0.000 0.449 480 A N -1.314 121.087 122.820 -0.698 0.000 2.609 480 A HA 0.642 4.954 4.320 -0.013 0.000 0.291 480 A C -1.270 175.876 177.584 -0.729 0.000 1.096 480 A CA -0.482 51.240 52.037 -0.525 0.000 0.684 480 A CB 0.768 19.626 19.000 -0.237 0.000 1.282 480 A HN 0.042 nan 8.150 nan 0.000 0.412 481 F N 0.958 120.810 119.950 -0.164 0.000 2.831 481 F HA 0.235 4.754 4.527 -0.014 0.000 0.355 481 F C 1.327 176.931 175.800 -0.326 0.000 1.341 481 F CA -0.527 57.284 58.000 -0.314 0.000 1.201 481 F CB 0.170 38.809 39.000 -0.601 0.000 1.058 481 F HN 0.589 nan 8.300 nan 0.000 0.514 482 c N 0.361 118.912 118.600 -0.082 0.000 2.391 482 c HA -0.248 4.315 4.570 -0.013 0.000 0.276 482 c C 3.080 177.128 174.090 -0.070 0.000 1.217 482 c CA 1.908 58.220 56.329 -0.029 0.000 1.766 482 c CB -1.300 41.231 42.510 0.036 0.000 2.046 482 c HN 0.857 nan 8.230 nan 0.000 0.475 483 G N 0.272 109.027 108.800 -0.075 0.000 2.462 483 G HA2 -0.211 3.742 3.960 -0.013 0.000 0.220 483 G HA3 -0.211 3.742 3.960 -0.013 0.000 0.220 483 G C 1.600 176.457 174.900 -0.072 0.000 1.121 483 G CA 0.685 45.755 45.100 -0.051 0.000 0.758 483 G HN 0.483 nan 8.290 nan 0.000 0.559 484 K N 0.520 120.794 120.400 -0.209 0.000 2.362 484 K HA -0.036 4.277 4.320 -0.013 0.000 0.200 484 K C 0.175 176.771 176.600 -0.007 0.000 1.046 484 K CA 0.265 56.415 56.287 -0.228 0.000 0.952 484 K CB -0.186 31.955 32.500 -0.598 0.000 0.753 484 K HN 0.382 nan 8.250 nan 0.000 0.466 485 H N -0.272 118.909 119.070 0.185 0.000 2.782 485 H HA 0.156 4.704 4.556 -0.013 0.000 0.285 485 H C 1.374 176.830 175.328 0.212 0.000 1.093 485 H CA -0.240 55.930 56.048 0.204 0.000 1.410 485 H CB 0.741 30.628 29.762 0.208 0.000 1.439 485 H HN 0.136 nan 8.280 nan 0.000 0.469 486 G N 2.697 111.660 108.800 0.272 0.000 2.650 486 G HA2 -0.067 3.885 3.960 -0.013 0.000 0.214 486 G HA3 -0.067 3.885 3.960 -0.013 0.000 0.214 486 G C 0.552 175.580 174.900 0.214 0.000 1.136 486 G CA 0.728 45.968 45.100 0.233 0.000 0.789 486 G HN 0.652 nan 8.290 nan 0.000 0.536 487 T N -4.804 109.764 114.554 0.024 0.000 2.883 487 T HA 0.225 4.568 4.350 -0.013 0.000 0.301 487 T C 0.966 175.181 174.700 -0.808 0.000 1.158 487 T CA -0.001 61.850 62.100 -0.416 0.000 1.007 487 T CB 1.174 69.879 68.868 -0.273 0.000 1.186 487 T HN -0.002 nan 8.240 nan 0.000 0.499 488 c N 1.311 118.911 118.600 -1.667 0.000 2.391 488 c HA -0.107 4.455 4.570 -0.013 0.000 0.276 488 c C 2.342 176.102 174.090 -0.549 0.000 1.217 488 c CA 1.979 57.459 56.329 -1.415 0.000 1.766 488 c CB -1.528 40.023 42.510 -1.598 0.000 2.046 488 c HN 1.069 nan 8.230 nan 0.000 0.475 489 E N 0.635 120.583 120.200 -0.420 0.000 2.085 489 E HA -0.173 4.169 4.350 -0.013 0.000 0.194 489 E C 1.801 178.279 176.600 -0.202 0.000 0.994 489 E CA 1.918 58.170 56.400 -0.246 0.000 0.801 489 E CB -0.237 29.349 29.700 -0.191 0.000 0.743 489 E HN 0.662 nan 8.360 nan 0.000 0.453 490 D N -0.398 119.882 120.400 -0.201 0.000 2.123 490 D HA -0.117 4.515 4.640 -0.013 0.000 0.200 490 D C 1.915 178.048 176.300 -0.279 0.000 0.976 490 D CA 0.697 54.584 54.000 -0.188 0.000 0.831 490 D CB -0.635 40.113 40.800 -0.086 0.000 0.974 490 D HN 0.209 nan 8.370 nan 0.000 0.469 491 c N 0.331 118.852 118.600 -0.131 0.000 2.413 491 c HA -0.082 4.480 4.570 -0.013 0.000 0.277 491 c C 2.725 176.788 174.090 -0.045 0.000 1.265 491 c CA 0.572 56.907 56.329 0.009 0.000 1.752 491 c CB -0.837 41.846 42.510 0.289 0.000 1.998 491 c HN 0.090 nan 8.230 nan 0.000 0.489 492 V N 0.427 120.291 119.914 -0.082 0.000 2.591 492 V HA -0.076 4.036 4.120 -0.013 0.000 0.249 492 V C 2.274 178.304 176.094 -0.107 0.000 1.053 492 V CA 1.679 63.934 62.300 -0.074 0.000 1.068 492 V CB -0.442 31.329 31.823 -0.086 0.000 0.689 492 V HN 0.562 nan 8.190 nan 0.000 0.462 493 L N 0.020 121.157 121.223 -0.144 0.000 2.291 493 L HA -0.011 4.321 4.340 -0.013 0.000 0.214 493 L C 2.584 179.372 176.870 -0.136 0.000 1.120 493 L CA 1.051 55.804 54.840 -0.145 0.000 0.799 493 L CB -0.576 41.394 42.059 -0.148 0.000 0.925 493 L HN 0.329 nan 8.230 nan 0.000 0.446 494 A N -0.306 122.414 122.820 -0.166 0.000 1.972 494 A HA -0.176 4.136 4.320 -0.013 0.000 0.219 494 A C 1.278 178.898 177.584 0.060 0.000 1.169 494 A CA 0.651 52.640 52.037 -0.081 0.000 0.635 494 A CB -0.246 18.660 19.000 -0.158 0.000 0.810 494 A HN 0.457 nan 8.150 nan 0.000 0.446 495 R N -0.404 120.079 120.500 -0.029 0.000 3.333 495 R HA -0.160 4.172 4.340 -0.013 0.000 0.256 495 R C -0.982 175.320 176.300 0.003 0.000 1.010 495 R CA 0.875 56.938 56.100 -0.063 0.000 0.680 495 R CB -1.938 28.227 30.300 -0.225 0.000 1.102 495 R HN 0.645 nan 8.270 nan 0.000 0.440 496 D N 0.577 120.988 120.400 0.018 0.000 2.349 496 D HA 0.199 4.831 4.640 -0.013 0.000 0.232 496 D C -1.154 175.104 176.300 -0.070 0.000 1.071 496 D CA -2.433 51.582 54.000 0.025 0.000 0.832 496 D CB 1.326 42.232 40.800 0.177 0.000 1.086 496 D HN -0.036 nan 8.370 nan 0.000 0.504 497 P HA -0.131 nan 4.420 nan 0.000 0.226 497 P C 0.568 177.726 177.300 -0.237 0.000 1.146 497 P CA 0.825 63.720 63.100 -0.341 0.000 0.773 497 P CB 0.055 31.408 31.700 -0.577 0.000 0.772 498 Y N -1.003 119.276 120.300 -0.036 0.000 2.500 498 Y HA 0.110 4.651 4.550 -0.014 0.000 0.270 498 Y C 1.480 177.358 175.900 -0.037 0.000 1.134 498 Y CA -0.211 57.870 58.100 -0.031 0.000 1.293 498 Y CB -0.291 38.156 38.460 -0.022 0.000 1.063 498 Y HN -0.046 nan 8.280 nan 0.000 0.534 499 c N 0.589 119.273 118.600 0.140 0.000 2.456 499 c HA 0.921 5.483 4.570 -0.013 0.000 0.325 499 c C 0.331 174.478 174.090 0.094 0.000 1.217 499 c CA -1.103 55.302 56.329 0.128 0.000 1.687 499 c CB 0.455 43.096 42.510 0.219 0.000 2.270 499 c HN 0.332 nan 8.230 nan 0.000 0.499 500 A N 2.216 125.093 122.820 0.094 0.000 2.539 500 A HA 0.783 5.095 4.320 -0.013 0.000 0.296 500 A C -1.389 176.298 177.584 0.171 0.000 1.073 500 A CA -0.383 51.717 52.037 0.105 0.000 0.700 500 A CB 1.087 20.107 19.000 0.033 0.000 1.296 500 A HN 0.979 nan 8.150 nan 0.000 0.405 501 W N 2.051 123.356 121.300 0.008 0.000 2.316 501 W HA 0.523 5.175 4.660 -0.013 0.000 0.311 501 W C -0.475 176.045 176.519 0.002 0.000 1.217 501 W CA -0.025 57.327 57.345 0.012 0.000 1.199 501 W CB 1.689 31.156 29.460 0.011 0.000 1.202 501 W HN 0.657 nan 8.180 nan 0.000 0.528 502 S N 7.883 123.138 115.700 -0.742 0.000 2.528 502 S HA 0.297 4.759 4.470 -0.013 0.000 0.303 502 S C -1.545 172.609 174.600 -0.742 0.000 1.123 502 S CA -1.693 56.180 58.200 -0.544 0.000 1.138 502 S CB 1.267 64.240 63.200 -0.380 0.000 0.984 502 S HN 0.295 nan 8.310 nan 0.000 0.474 503 P HA -0.101 nan 4.420 nan 0.000 0.214 503 P C -1.384 175.850 177.300 -0.111 0.000 1.163 503 P CA 1.368 64.412 63.100 -0.093 0.000 0.889 503 P CB -0.784 30.971 31.700 0.091 0.000 0.790 504 P HA -0.156 nan 4.420 nan 0.000 0.217 504 P C 1.222 178.453 177.300 -0.115 0.000 1.148 504 P CA 2.122 65.171 63.100 -0.084 0.000 0.828 504 P CB -0.833 30.822 31.700 -0.075 0.000 0.783 505 T N -4.464 109.972 114.554 -0.196 0.000 3.037 505 T HA 0.486 4.828 4.350 -0.013 0.000 0.251 505 T C 1.101 175.651 174.700 -0.250 0.000 1.079 505 T CA 0.390 62.370 62.100 -0.201 0.000 1.067 505 T CB -0.597 68.141 68.868 -0.217 0.000 0.948 505 T HN 0.201 nan 8.240 nan 0.000 0.496 506 A N 1.199 123.795 122.820 -0.372 0.000 2.739 506 A HA 0.007 4.319 4.320 -0.013 0.000 0.296 506 A C 0.606 177.841 177.584 -0.581 0.000 1.488 506 A CA 0.823 52.656 52.037 -0.340 0.000 0.746 506 A CB -2.560 16.449 19.000 0.014 0.000 1.047 506 A HN 1.459 nan 8.150 nan 0.000 0.477 507 T N -3.197 110.685 114.554 -1.120 0.000 2.894 507 T HA 0.542 4.884 4.350 -0.013 0.000 0.309 507 T C -0.241 174.032 174.700 -0.712 0.000 1.208 507 T CA -0.157 61.538 62.100 -0.675 0.000 1.016 507 T CB 1.332 70.023 68.868 -0.294 0.000 1.192 507 T HN 1.695 nan 8.240 nan 0.000 0.491 508 c N 4.055 122.631 118.600 -0.039 0.000 2.373 508 c HA 0.752 5.315 4.570 -0.013 0.000 0.354 508 c C 0.608 174.720 174.090 0.037 0.000 1.249 508 c CA 0.012 56.473 56.329 0.220 0.000 1.784 508 c CB -1.779 41.001 42.510 0.450 0.000 2.408 508 c HN 0.907 nan 8.230 nan 0.000 0.542 509 V N 4.489 124.398 119.914 -0.009 0.000 2.881 509 V HA 0.917 5.029 4.120 -0.013 0.000 0.316 509 V C 0.265 176.350 176.094 -0.016 0.000 1.070 509 V CA -0.570 61.703 62.300 -0.044 0.000 0.976 509 V CB 1.424 33.190 31.823 -0.096 0.000 1.038 509 V HN 1.163 nan 8.190 nan 0.000 0.446 510 A N 3.509 126.303 122.820 -0.043 0.000 2.302 510 A HA 0.652 4.965 4.320 -0.013 0.000 0.295 510 A C 0.039 177.591 177.584 -0.054 0.000 1.235 510 A CA -0.398 51.615 52.037 -0.039 0.000 0.876 510 A CB -0.031 18.915 19.000 -0.090 0.000 1.133 510 A HN 0.839 nan 8.150 nan 0.000 0.533 511 L N 2.123 123.304 121.223 -0.070 0.000 2.294 511 L HA -0.003 4.329 4.340 -0.013 0.000 0.203 511 L C 0.963 177.752 176.870 -0.134 0.000 1.150 511 L CA 0.653 55.375 54.840 -0.196 0.000 0.847 511 L CB -0.563 41.242 42.059 -0.424 0.000 1.231 511 L HN 0.802 nan 8.230 nan 0.000 0.568 512 H N 1.316 120.397 119.070 0.018 0.000 1.766 512 H HA -0.189 4.359 4.556 -0.013 0.000 0.300 512 H C 0.907 176.225 175.328 -0.016 0.000 0.752 512 H CA 1.022 57.074 56.048 0.007 0.000 1.011 512 H CB -0.868 28.908 29.762 0.023 0.000 1.462 512 H HN 0.664 nan 8.280 nan 0.000 0.242 513 Q N -1.610 118.229 119.800 0.065 0.000 7.917 513 Q HA -0.115 4.217 4.340 -0.013 0.000 0.367 513 Q C 0.144 176.135 176.000 -0.015 0.000 0.943 513 Q CA 0.951 56.760 55.803 0.009 0.000 0.545 513 Q CB -0.705 28.017 28.738 -0.026 0.000 0.166 513 Q HN 0.445 nan 8.270 nan 0.000 0.903 514 T N -0.148 114.391 114.554 -0.025 0.000 2.860 514 T HA 0.330 4.673 4.350 -0.013 0.000 0.299 514 T C 0.509 175.189 174.700 -0.033 0.000 1.045 514 T CA 0.660 62.734 62.100 -0.043 0.000 1.071 514 T CB 1.055 69.886 68.868 -0.061 0.000 0.985 514 T HN 0.361 nan 8.240 nan 0.000 0.537 515 E N 1.281 121.456 120.200 -0.041 0.000 2.290 515 E HA 0.242 4.584 4.350 -0.013 0.000 0.197 515 E C 1.024 177.598 176.600 -0.043 0.000 0.948 515 E CA 0.058 56.437 56.400 -0.035 0.000 0.895 515 E CB 0.039 29.718 29.700 -0.035 0.000 0.865 515 E HN 0.574 nan 8.360 nan 0.000 0.486 516 S N 2.760 118.423 115.700 -0.061 0.000 2.511 516 S HA -0.094 4.368 4.470 -0.013 0.000 0.279 516 S C -2.293 172.273 174.600 -0.057 0.000 1.330 516 S CA -0.130 58.025 58.200 -0.075 0.000 1.017 516 S CB -0.245 62.892 63.200 -0.105 0.000 0.800 516 S HN 0.142 nan 8.310 nan 0.000 0.498 517 P HA -0.025 nan 4.420 nan 0.000 0.212 517 P C 0.700 177.983 177.300 -0.028 0.000 1.069 517 P CA 0.406 63.483 63.100 -0.038 0.000 1.331 517 P CB -0.232 31.444 31.700 -0.040 0.000 1.513 518 S N 3.437 119.125 115.700 -0.021 0.000 2.435 518 S HA -0.272 4.190 4.470 -0.013 0.000 0.250 518 S C 1.720 176.316 174.600 -0.006 0.000 1.065 518 S CA 1.713 59.905 58.200 -0.012 0.000 1.243 518 S CB -0.256 62.943 63.200 -0.002 0.000 1.158 518 S HN 0.402 nan 8.310 nan 0.000 0.430 519 R N -0.134 120.366 120.500 -0.001 0.000 2.323 519 R HA 0.126 4.458 4.340 -0.013 0.000 0.198 519 R C 1.828 178.132 176.300 0.007 0.000 0.988 519 R CA 0.631 56.734 56.100 0.005 0.000 1.041 519 R CB -0.143 30.160 30.300 0.006 0.000 0.926 519 R HN 0.462 nan 8.270 nan 0.000 0.476 520 G N -0.564 108.236 108.800 0.001 0.000 3.126 520 G HA2 0.145 4.097 3.960 -0.013 0.000 0.224 520 G HA3 0.145 4.097 3.960 -0.013 0.000 0.224 520 G C 0.232 175.139 174.900 0.012 0.000 1.142 520 G CA -0.341 44.763 45.100 0.006 0.000 0.759 520 G HN 0.042 nan 8.290 nan 0.000 0.550 521 L N 1.022 122.249 121.223 0.006 0.000 2.436 521 L HA 0.452 4.784 4.340 -0.013 0.000 0.265 521 L C -0.032 176.875 176.870 0.060 0.000 1.168 521 L CA -0.355 54.495 54.840 0.016 0.000 0.815 521 L CB 1.418 43.471 42.059 -0.009 0.000 1.109 521 L HN -0.044 nan 8.230 nan 0.000 0.462 522 I N 2.211 122.854 120.570 0.121 0.000 2.474 522 I HA 0.438 4.600 4.170 -0.013 0.000 0.294 522 I C -0.426 175.759 176.117 0.114 0.000 1.005 522 I CA -0.428 60.949 61.300 0.129 0.000 1.113 522 I CB 1.809 39.922 38.000 0.189 0.000 1.289 522 I HN 0.604 nan 8.210 nan 0.000 0.436 523 Q N 5.053 124.891 119.800 0.063 0.000 2.378 523 Q HA 0.285 4.617 4.340 -0.013 0.000 0.262 523 Q C -1.911 174.098 176.000 0.015 0.000 0.978 523 Q CA -0.612 55.215 55.803 0.040 0.000 0.918 523 Q CB 2.443 31.199 28.738 0.029 0.000 1.415 523 Q HN 0.509 nan 8.270 nan 0.000 0.409 524 E N 5.041 125.237 120.200 -0.006 0.000 2.460 524 E HA 0.192 4.535 4.350 -0.013 0.000 0.249 524 E C 0.209 176.785 176.600 -0.040 0.000 0.962 524 E CA -0.389 56.000 56.400 -0.019 0.000 0.787 524 E CB 1.285 30.968 29.700 -0.029 0.000 1.341 524 E HN 0.752 nan 8.360 nan 0.000 0.407 525 M N 0.615 120.198 119.600 -0.029 0.000 2.706 525 M HA -0.080 4.393 4.480 -0.013 0.000 0.251 525 M C 1.497 177.755 176.300 -0.069 0.000 1.070 525 M CA 0.809 56.075 55.300 -0.056 0.000 1.073 525 M CB -1.117 31.489 32.600 0.010 0.000 1.449 525 M HN 0.210 nan 8.290 nan 0.000 0.531 526 S N -1.710 113.953 115.700 -0.062 0.000 2.524 526 S HA 0.308 4.770 4.470 -0.013 0.000 0.216 526 S C 1.597 176.138 174.600 -0.098 0.000 0.987 526 S CA 0.507 58.662 58.200 -0.075 0.000 0.909 526 S CB 0.004 63.171 63.200 -0.055 0.000 0.781 526 S HN 0.586 nan 8.310 nan 0.000 0.521 527 G N 1.381 110.120 108.800 -0.101 0.000 2.159 527 G HA2 -0.288 3.665 3.960 -0.013 0.000 0.256 527 G HA3 -0.288 3.665 3.960 -0.013 0.000 0.256 527 G C -0.206 174.639 174.900 -0.091 0.000 0.977 527 G CA 0.162 45.194 45.100 -0.113 0.000 0.652 527 G HN 0.670 nan 8.290 nan 0.000 0.531 528 D N 0.654 121.012 120.400 -0.071 0.000 2.455 528 D HA 0.613 5.245 4.640 -0.013 0.000 0.234 528 D C 1.580 177.846 176.300 -0.057 0.000 1.224 528 D CA 0.654 54.620 54.000 -0.057 0.000 0.999 528 D CB 0.047 40.822 40.800 -0.042 0.000 1.072 528 D HN 0.426 nan 8.370 nan 0.000 0.514 529 A N 2.768 125.545 122.820 -0.070 0.000 2.239 529 A HA -0.086 4.226 4.320 -0.013 0.000 0.209 529 A C 2.164 179.706 177.584 -0.070 0.000 1.171 529 A CA 0.830 52.816 52.037 -0.084 0.000 0.768 529 A CB -0.473 18.464 19.000 -0.106 0.000 0.790 529 A HN 0.560 nan 8.150 nan 0.000 0.478 530 S N 0.195 115.866 115.700 -0.047 0.000 2.469 530 S HA -0.123 4.339 4.470 -0.013 0.000 0.238 530 S C 1.629 176.209 174.600 -0.033 0.000 0.998 530 S CA 1.441 59.620 58.200 -0.034 0.000 0.957 530 S CB -0.945 62.243 63.200 -0.021 0.000 0.764 530 S HN 1.016 nan 8.310 nan 0.000 0.514 531 V N -0.954 118.940 119.914 -0.034 0.000 3.380 531 V HA 0.260 4.372 4.120 -0.013 0.000 0.268 531 V C 1.275 177.355 176.094 -0.024 0.000 1.168 531 V CA -0.615 61.672 62.300 -0.021 0.000 1.156 531 V CB -2.183 29.633 31.823 -0.012 0.000 0.785 531 V HN 0.570 nan 8.190 nan 0.000 0.487 532 c N 2.731 121.297 118.600 -0.058 0.000 2.657 532 c HA 0.317 4.879 4.570 -0.013 0.000 0.404 532 c C 0.550 174.609 174.090 -0.051 0.000 1.291 532 c CA -0.198 56.079 56.329 -0.088 0.000 2.218 532 c CB 1.039 43.438 42.510 -0.185 0.000 2.687 532 c HN 0.472 nan 8.230 nan 0.000 0.634 533 P HA -0.061 nan 4.420 nan 0.000 0.215 533 P C -0.032 177.261 177.300 -0.013 0.000 1.157 533 P CA 1.384 64.488 63.100 0.006 0.000 0.856 533 P CB 0.057 31.793 31.700 0.060 0.000 0.786 534 D N -0.981 119.397 120.400 -0.037 0.000 2.449 534 D HA 0.281 4.913 4.640 -0.013 0.000 0.250 534 D C -0.317 175.941 176.300 -0.071 0.000 1.050 534 D CA -0.829 53.147 54.000 -0.040 0.000 1.024 534 D CB 1.493 42.280 40.800 -0.022 0.000 1.218 534 D HN -0.336 nan 8.370 nan 0.000 0.566 535 K N 1.406 121.773 120.400 -0.056 0.000 2.562 535 K HA 0.252 4.564 4.320 -0.013 0.000 0.206 535 K C -0.843 175.723 176.600 -0.057 0.000 1.033 535 K CA -0.524 55.727 56.287 -0.061 0.000 1.029 535 K CB 0.935 33.410 32.500 -0.041 0.000 1.393 535 K HN 0.468 nan 8.250 nan 0.000 0.539 536 S N 1.557 117.211 115.700 -0.075 0.000 2.715 536 S HA -0.098 4.364 4.470 -0.013 0.000 0.318 536 S C 0.888 175.461 174.600 -0.045 0.000 1.242 536 S CA 0.598 58.762 58.200 -0.060 0.000 1.044 536 S CB 0.289 63.441 63.200 -0.079 0.000 0.760 536 S HN 0.362 nan 8.310 nan 0.000 0.501 537 K N 2.469 122.852 120.400 -0.029 0.000 2.570 537 K HA 0.329 4.642 4.320 -0.013 0.000 0.210 537 K C 0.992 177.584 176.600 -0.014 0.000 1.048 537 K CA 0.481 56.757 56.287 -0.018 0.000 1.167 537 K CB -0.473 32.026 32.500 -0.003 0.000 0.892 537 K HN 0.868 nan 8.250 nan 0.000 0.480 538 G N 0.178 108.961 108.800 -0.027 0.000 2.645 538 G HA2 -0.296 3.656 3.960 -0.013 0.000 0.246 538 G HA3 -0.296 3.656 3.960 -0.013 0.000 0.246 538 G C -0.424 174.472 174.900 -0.008 0.000 1.322 538 G CA -0.140 44.940 45.100 -0.032 0.000 0.898 538 G HN 0.601 nan 8.290 nan 0.000 0.573 539 S N -0.915 114.770 115.700 -0.026 0.000 2.586 539 S HA 0.632 5.094 4.470 -0.013 0.000 0.274 539 S C -0.581 174.010 174.600 -0.015 0.000 1.281 539 S CA 0.062 58.254 58.200 -0.013 0.000 1.035 539 S CB 1.855 65.034 63.200 -0.035 0.000 0.962 539 S HN 1.554 nan 8.310 nan 0.000 0.512 540 Y N 1.737 121.967 120.300 -0.116 0.000 2.409 540 Y HA 0.680 5.222 4.550 -0.013 0.000 0.343 540 Y C -0.289 175.528 175.900 -0.139 0.000 0.973 540 Y CA -0.892 57.132 58.100 -0.126 0.000 1.064 540 Y CB 1.633 40.050 38.460 -0.072 0.000 1.207 540 Y HN 1.044 nan 8.280 nan 0.000 0.452 541 R N 4.311 124.523 120.500 -0.479 0.000 2.594 541 R HA 0.375 4.707 4.340 -0.013 0.000 0.265 541 R C -2.030 173.946 176.300 -0.540 0.000 1.070 541 R CA -0.657 55.233 56.100 -0.351 0.000 0.909 541 R CB 1.557 31.701 30.300 -0.259 0.000 1.243 541 R HN 0.769 nan 8.270 nan 0.000 0.455 542 Q N 3.731 123.238 119.800 -0.489 0.000 2.274 542 Q HA 0.456 4.788 4.340 -0.013 0.000 0.260 542 Q C -0.784 174.656 176.000 -0.934 0.000 0.974 542 Q CA -1.003 54.458 55.803 -0.571 0.000 0.876 542 Q CB 2.393 30.922 28.738 -0.348 0.000 1.297 542 Q HN 0.548 nan 8.270 nan 0.000 0.446 543 H N 1.554 120.158 119.070 -0.776 0.000 2.637 543 H HA 0.460 5.008 4.556 -0.013 0.000 0.363 543 H C -1.235 173.309 175.328 -1.306 0.000 1.131 543 H CA -0.732 54.733 56.048 -0.970 0.000 1.183 543 H CB 1.358 30.598 29.762 -0.871 0.000 1.637 543 H HN 0.533 nan 8.280 nan 0.000 0.531 544 F N 2.433 122.047 119.950 -0.559 0.000 2.577 544 F HA 0.316 4.835 4.527 -0.013 0.000 0.344 544 F C -0.769 174.803 175.800 -0.381 0.000 1.145 544 F CA -0.614 57.187 58.000 -0.332 0.000 0.996 544 F CB 0.645 39.556 39.000 -0.149 0.000 1.248 544 F HN 0.280 nan 8.300 nan 0.000 0.447 545 F N 1.109 121.152 119.950 0.155 0.000 2.523 545 F HA 0.513 5.032 4.527 -0.013 0.000 0.329 545 F C 0.343 176.197 175.800 0.089 0.000 1.061 545 F CA -1.760 56.289 58.000 0.082 0.000 0.967 545 F CB 1.532 40.525 39.000 -0.012 0.000 1.218 545 F HN 0.172 nan 8.300 nan 0.000 0.480 546 K N 1.444 122.025 120.400 0.302 0.000 2.379 546 K HA 0.035 4.347 4.320 -0.013 0.000 0.284 546 K C 0.211 176.917 176.600 0.176 0.000 1.044 546 K CA -0.243 56.163 56.287 0.199 0.000 0.974 546 K CB 0.189 32.777 32.500 0.146 0.000 0.962 546 K HN 0.589 nan 8.250 nan 0.000 0.474 547 H N 2.693 121.818 119.070 0.092 0.000 3.073 547 H HA -0.103 4.446 4.556 -0.013 0.000 0.340 547 H C 1.146 176.499 175.328 0.042 0.000 1.054 547 H CA 2.447 58.536 56.048 0.067 0.000 1.372 547 H CB 0.694 30.490 29.762 0.057 0.000 1.314 547 H HN 0.934 nan 8.280 nan 0.000 0.603 548 G N 2.938 111.588 108.800 -0.250 0.000 2.708 548 G HA2 -0.318 3.634 3.960 -0.013 0.000 0.229 548 G HA3 -0.318 3.634 3.960 -0.013 0.000 0.229 548 G C 0.907 175.767 174.900 -0.067 0.000 1.236 548 G CA 0.747 45.804 45.100 -0.071 0.000 0.749 548 G HN 1.042 nan 8.290 nan 0.000 0.515 549 G N -0.363 108.412 108.800 -0.041 0.000 2.597 549 G HA2 0.423 4.376 3.960 -0.013 0.000 0.283 549 G HA3 0.423 4.376 3.960 -0.013 0.000 0.283 549 G C 0.226 175.034 174.900 -0.153 0.000 1.319 549 G CA 1.419 46.476 45.100 -0.072 0.000 1.054 549 G HN 1.286 nan 8.290 nan 0.000 0.583 550 T N -1.257 113.157 114.554 -0.234 0.000 2.841 550 T HA 0.611 4.953 4.350 -0.013 0.000 0.283 550 T C -0.079 174.236 174.700 -0.641 0.000 1.000 550 T CA 0.120 62.012 62.100 -0.348 0.000 0.977 550 T CB 1.034 69.783 68.868 -0.197 0.000 0.979 550 T HN 1.025 nan 8.240 nan 0.000 0.446 551 A N 3.444 125.812 122.820 -0.753 0.000 2.312 551 A HA 0.752 5.064 4.320 -0.013 0.000 0.326 551 A C -0.358 176.763 177.584 -0.772 0.000 1.172 551 A CA -0.704 50.730 52.037 -1.005 0.000 0.821 551 A CB 0.870 19.376 19.000 -0.823 0.000 1.166 551 A HN 0.860 nan 8.150 nan 0.000 0.493 552 E N 2.384 122.175 120.200 -0.681 0.000 2.279 552 E HA 0.517 4.859 4.350 -0.013 0.000 0.252 552 E C -1.816 174.497 176.600 -0.480 0.000 0.894 552 E CA -0.284 55.812 56.400 -0.507 0.000 0.785 552 E CB 0.629 30.127 29.700 -0.336 0.000 1.237 552 E HN 0.507 nan 8.360 nan 0.000 0.418 553 L N 4.461 125.303 121.223 -0.634 0.000 2.265 553 L HA 0.472 4.804 4.340 -0.013 0.000 0.289 553 L C 0.098 176.818 176.870 -0.250 0.000 1.033 553 L CA -1.000 53.400 54.840 -0.735 0.000 0.814 553 L CB 1.076 42.396 42.059 -1.232 0.000 1.203 553 L HN 0.443 nan 8.230 nan 0.000 0.423 554 K N 2.548 122.951 120.400 0.006 0.000 2.350 554 K HA 0.403 4.716 4.320 -0.013 0.000 0.279 554 K C -0.538 176.297 176.600 0.392 0.000 1.027 554 K CA -0.099 56.312 56.287 0.206 0.000 0.969 554 K CB 1.143 33.758 32.500 0.192 0.000 0.954 554 K HN 0.595 nan 8.250 nan 0.000 0.474 555 c N 2.296 121.068 118.600 0.287 0.000 3.113 555 c HA 0.688 5.250 4.570 -0.013 0.000 0.376 555 c C -1.483 172.653 174.090 0.078 0.000 1.077 555 c CA -0.278 56.150 56.329 0.165 0.000 1.253 555 c CB 0.721 43.255 42.510 0.040 0.000 1.637 555 c HN 0.941 nan 8.230 nan 0.000 0.535 556 S N 5.491 121.202 115.700 0.017 0.000 2.580 556 S HA 0.706 5.168 4.470 -0.013 0.000 0.281 556 S C -1.901 172.690 174.600 -0.014 0.000 1.129 556 S CA -0.296 57.908 58.200 0.007 0.000 0.862 556 S CB 1.751 64.973 63.200 0.036 0.000 1.090 556 S HN 1.485 nan 8.310 nan 0.000 0.451 557 Q N 1.732 121.516 119.800 -0.027 0.000 2.544 557 Q HA 0.544 4.877 4.340 -0.013 0.000 0.291 557 Q C -0.662 175.316 176.000 -0.038 0.000 1.068 557 Q CA -0.848 54.935 55.803 -0.032 0.000 0.785 557 Q CB 1.460 30.162 28.738 -0.060 0.000 1.481 557 Q HN 0.587 nan 8.270 nan 0.000 0.430 558 K N 0.470 120.843 120.400 -0.044 0.000 2.186 558 K HA 0.097 4.410 4.320 -0.013 0.000 0.202 558 K C 0.752 177.264 176.600 -0.146 0.000 1.052 558 K CA 0.540 56.765 56.287 -0.102 0.000 0.965 558 K CB -0.247 32.186 32.500 -0.111 0.000 0.746 558 K HN 0.579 nan 8.250 nan 0.000 0.457 559 S N 2.060 117.692 115.700 -0.112 0.000 2.525 559 S HA 0.025 4.488 4.470 -0.013 0.000 0.285 559 S C 0.880 175.423 174.600 -0.094 0.000 1.283 559 S CA -0.305 57.828 58.200 -0.111 0.000 1.072 559 S CB 0.228 63.373 63.200 -0.091 0.000 0.867 559 S HN 0.140 nan 8.310 nan 0.000 0.492 560 N N 4.044 122.684 118.700 -0.100 0.000 2.424 560 N HA 0.094 4.826 4.740 -0.013 0.000 0.178 560 N C 0.858 176.336 175.510 -0.054 0.000 1.060 560 N CA 0.548 53.552 53.050 -0.076 0.000 0.901 560 N CB -0.043 38.392 38.487 -0.087 0.000 0.979 560 N HN 0.595 nan 8.380 nan 0.000 0.451 561 L N 0.081 121.272 121.223 -0.054 0.000 2.700 561 L HA 0.358 4.690 4.340 -0.013 0.000 0.234 561 L C 0.398 177.237 176.870 -0.051 0.000 1.156 561 L CA -0.278 54.537 54.840 -0.042 0.000 0.946 561 L CB 0.195 42.236 42.059 -0.031 0.000 1.216 561 L HN -0.069 nan 8.230 nan 0.000 0.493 562 A N 0.689 123.477 122.820 -0.054 0.000 2.337 562 A HA 0.586 4.898 4.320 -0.013 0.000 0.329 562 A C -0.364 177.204 177.584 -0.025 0.000 1.146 562 A CA -0.536 51.466 52.037 -0.058 0.000 0.800 562 A CB 1.018 19.973 19.000 -0.075 0.000 1.220 562 A HN 0.199 nan 8.150 nan 0.000 0.472 563 R N 1.746 122.246 120.500 -0.000 0.000 2.265 563 R HA 0.516 4.848 4.340 -0.013 0.000 0.319 563 R C -0.765 175.628 176.300 0.154 0.000 1.006 563 R CA -0.221 55.918 56.100 0.065 0.000 0.880 563 R CB 0.987 31.323 30.300 0.061 0.000 1.077 563 R HN 0.793 nan 8.270 nan 0.000 0.454 564 V N 3.607 123.600 119.914 0.131 0.000 2.581 564 V HA 0.828 4.941 4.120 -0.013 0.000 0.303 564 V C -1.082 175.122 176.094 0.183 0.000 1.041 564 V CA -0.628 61.707 62.300 0.058 0.000 0.907 564 V CB 1.374 33.136 31.823 -0.102 0.000 0.994 564 V HN 0.737 nan 8.190 nan 0.000 0.442 565 F N 1.787 121.676 119.950 -0.102 0.000 2.662 565 F HA 0.874 5.393 4.527 -0.013 0.000 0.312 565 F C -1.422 174.300 175.800 -0.131 0.000 1.113 565 F CA -1.942 56.040 58.000 -0.030 0.000 0.951 565 F CB 0.807 39.836 39.000 0.047 0.000 1.344 565 F HN 0.600 nan 8.300 nan 0.000 0.462 566 W N 1.499 122.856 121.300 0.096 0.000 2.516 566 W HA 0.732 5.384 4.660 -0.013 0.000 0.343 566 W C -0.380 176.217 176.519 0.129 0.000 1.094 566 W CA -0.521 56.839 57.345 0.024 0.000 1.250 566 W CB 1.642 31.100 29.460 -0.004 0.000 1.308 566 W HN 0.247 nan 8.180 nan 0.000 0.588 567 K N 2.059 122.677 120.400 0.365 0.000 2.426 567 K HA 0.557 4.870 4.320 -0.013 0.000 0.251 567 K C -1.971 174.820 176.600 0.319 0.000 0.941 567 K CA -1.175 55.283 56.287 0.286 0.000 0.808 567 K CB 2.794 35.397 32.500 0.171 0.000 1.265 567 K HN 0.356 nan 8.250 nan 0.000 0.432 568 F N 2.029 121.987 119.950 0.014 0.000 2.607 568 F HA 0.146 4.665 4.527 -0.013 0.000 0.322 568 F C -0.852 174.880 175.800 -0.114 0.000 1.176 568 F CA -0.229 57.675 58.000 -0.160 0.000 0.977 568 F CB 1.244 40.066 39.000 -0.296 0.000 1.242 568 F HN 0.685 nan 8.300 nan 0.000 0.465 569 Q N 5.680 125.060 119.800 -0.701 0.000 2.457 569 Q HA -0.265 4.068 4.340 -0.013 0.000 0.333 569 Q C 0.140 175.999 176.000 -0.235 0.000 1.448 569 Q CA 0.883 56.352 55.803 -0.556 0.000 0.891 569 Q CB -1.033 27.255 28.738 -0.750 0.000 1.142 569 Q HN 0.828 nan 8.270 nan 0.000 0.375 570 N N -3.088 115.527 118.700 -0.143 0.000 2.713 570 N HA -0.197 4.535 4.740 -0.013 0.000 0.251 570 N C 0.050 175.548 175.510 -0.021 0.000 1.117 570 N CA 1.675 54.685 53.050 -0.067 0.000 0.770 570 N CB -1.015 37.430 38.487 -0.070 0.000 1.137 570 N HN 0.714 nan 8.380 nan 0.000 0.566 571 G N -1.321 107.485 108.800 0.010 0.000 2.696 571 G HA2 0.556 4.508 3.960 -0.013 0.000 0.295 571 G HA3 0.556 4.508 3.960 -0.013 0.000 0.295 571 G C -0.623 174.355 174.900 0.129 0.000 1.398 571 G CA -0.520 44.616 45.100 0.060 0.000 0.920 571 G HN 0.057 nan 8.290 nan 0.000 0.492 572 V N 1.858 121.855 119.914 0.138 0.000 2.439 572 V HA 0.149 4.261 4.120 -0.013 0.000 0.271 572 V C 0.734 176.936 176.094 0.180 0.000 1.040 572 V CA -0.279 62.139 62.300 0.198 0.000 1.002 572 V CB 0.852 32.759 31.823 0.140 0.000 1.000 572 V HN 0.630 nan 8.190 nan 0.000 0.477 573 L N 7.258 128.607 121.223 0.211 0.000 2.455 573 L HA 0.214 4.546 4.340 -0.013 0.000 0.272 573 L C 0.692 177.619 176.870 0.094 0.000 1.174 573 L CA 0.338 55.251 54.840 0.121 0.000 0.869 573 L CB 0.277 42.349 42.059 0.022 0.000 1.130 573 L HN 0.571 nan 8.230 nan 0.000 0.474 574 K N 5.922 126.389 120.400 0.112 0.000 2.300 574 K HA 0.431 4.743 4.320 -0.013 0.000 0.264 574 K C -0.503 176.213 176.600 0.194 0.000 1.083 574 K CA -0.411 55.959 56.287 0.139 0.000 0.958 574 K CB 0.965 33.556 32.500 0.151 0.000 1.318 574 K HN 0.592 nan 8.250 nan 0.000 0.448 575 A N 3.883 126.761 122.820 0.096 0.000 2.666 575 A HA 0.180 4.492 4.320 -0.013 0.000 0.312 575 A C 0.249 177.954 177.584 0.201 0.000 1.471 575 A CA -0.363 51.753 52.037 0.132 0.000 1.134 575 A CB -0.108 18.858 19.000 -0.057 0.000 1.129 575 A HN 0.795 nan 8.150 nan 0.000 0.539 576 E N 1.093 121.450 120.200 0.262 0.000 2.933 576 E HA 0.680 5.022 4.350 -0.013 0.000 0.246 576 E C 0.214 176.897 176.600 0.139 0.000 1.066 576 E CA 0.183 56.676 56.400 0.156 0.000 0.984 576 E CB 0.353 30.119 29.700 0.110 0.000 2.860 576 E HN 0.386 nan 8.360 nan 0.000 0.586 577 S N -0.981 114.766 115.700 0.078 0.000 2.688 577 S HA 0.329 4.791 4.470 -0.013 0.000 0.269 577 S C -2.677 171.898 174.600 -0.042 0.000 1.060 577 S CA -0.633 57.577 58.200 0.017 0.000 0.844 577 S CB 0.702 63.892 63.200 -0.016 0.000 1.095 577 S HN 0.161 nan 8.310 nan 0.000 0.466 578 P HA 0.216 nan 4.420 nan 0.000 0.249 578 P C 1.044 178.309 177.300 -0.057 0.000 1.229 578 P CA -0.010 63.005 63.100 -0.141 0.000 0.788 578 P CB 0.224 31.813 31.700 -0.184 0.000 1.072 579 K N -0.345 119.994 120.400 -0.103 0.000 2.057 579 K HA -0.051 4.262 4.320 -0.013 0.000 0.207 579 K C 0.336 176.750 176.600 -0.311 0.000 1.049 579 K CA 1.317 57.427 56.287 -0.294 0.000 0.931 579 K CB -0.272 31.854 32.500 -0.624 0.000 0.714 579 K HN 0.175 nan 8.250 nan 0.000 0.440 580 Y N -1.539 118.863 120.300 0.170 0.000 2.621 580 Y HA 0.541 5.084 4.550 -0.013 0.000 0.334 580 Y C 0.948 176.980 175.900 0.219 0.000 1.074 580 Y CA -0.873 57.244 58.100 0.028 0.000 1.149 580 Y CB 1.464 39.882 38.460 -0.070 0.000 1.302 580 Y HN 0.014 nan 8.280 nan 0.000 0.501 581 G N -0.474 108.413 108.800 0.145 0.000 3.243 581 G HA2 0.642 4.594 3.960 -0.013 0.000 0.248 581 G HA3 0.642 4.594 3.960 -0.013 0.000 0.248 581 G C -1.666 173.237 174.900 0.005 0.000 1.267 581 G CA -0.913 44.276 45.100 0.148 0.000 0.906 581 G HN 0.517 nan 8.290 nan 0.000 0.592 582 L N -0.065 121.154 121.223 -0.005 0.000 2.305 582 L HA 0.213 4.545 4.340 -0.013 0.000 0.269 582 L C -0.416 176.461 176.870 0.012 0.000 1.347 582 L CA -0.500 54.335 54.840 -0.009 0.000 0.660 582 L CB 0.722 42.806 42.059 0.041 0.000 0.899 582 L HN 0.325 nan 8.230 nan 0.000 0.538 583 M N 1.400 120.990 119.600 -0.016 0.000 2.612 583 M HA 0.297 4.769 4.480 -0.013 0.000 0.336 583 M C 1.410 177.721 176.300 0.018 0.000 1.699 583 M CA 1.088 56.389 55.300 0.001 0.000 1.284 583 M CB -0.995 31.592 32.600 -0.021 0.000 1.957 583 M HN 0.566 nan 8.290 nan 0.000 0.456 584 G N 3.277 112.095 108.800 0.031 0.000 2.138 584 G HA2 -0.235 3.717 3.960 -0.013 0.000 0.193 584 G HA3 -0.235 3.717 3.960 -0.013 0.000 0.193 584 G C 0.383 175.313 174.900 0.049 0.000 0.998 584 G CA -0.276 44.846 45.100 0.038 0.000 0.668 584 G HN 0.701 nan 8.290 nan 0.000 0.516 585 R N -0.987 119.546 120.500 0.055 0.000 3.158 585 R HA -0.290 4.043 4.340 -0.013 0.000 0.244 585 R C 1.434 177.787 176.300 0.087 0.000 0.900 585 R CA 2.008 58.150 56.100 0.069 0.000 0.618 585 R CB -1.329 29.001 30.300 0.051 0.000 1.061 585 R HN 1.044 nan 8.270 nan 0.000 0.471 586 K N -3.691 116.784 120.400 0.126 0.000 2.432 586 K HA 0.024 4.336 4.320 -0.013 0.000 0.143 586 K C -0.266 176.519 176.600 0.308 0.000 2.184 586 K CA -0.505 55.882 56.287 0.167 0.000 1.300 586 K CB -0.141 32.415 32.500 0.094 0.000 2.435 586 K HN 0.002 nan 8.250 nan 0.000 0.512 587 N N 2.136 120.945 118.700 0.183 0.000 2.472 587 N HA 0.276 5.008 4.740 -0.013 0.000 0.277 587 N C -1.165 174.297 175.510 -0.079 0.000 1.081 587 N CA -0.375 52.745 53.050 0.116 0.000 0.973 587 N CB 1.321 39.816 38.487 0.012 0.000 1.105 587 N HN 0.204 nan 8.380 nan 0.000 0.470 588 L N 2.606 123.587 121.223 -0.404 0.000 2.326 588 L HA 0.453 4.786 4.340 -0.013 0.000 0.278 588 L C -1.007 175.452 176.870 -0.685 0.000 1.092 588 L CA -0.296 54.041 54.840 -0.838 0.000 0.810 588 L CB 0.472 41.418 42.059 -1.855 0.000 1.153 588 L HN 0.370 nan 8.230 nan 0.000 0.439 589 L N 5.853 126.723 121.223 -0.588 0.000 2.362 589 L HA 0.574 4.907 4.340 -0.013 0.000 0.275 589 L C -0.827 175.611 176.870 -0.720 0.000 0.998 589 L CA 0.002 54.428 54.840 -0.690 0.000 0.820 589 L CB 1.756 43.397 42.059 -0.695 0.000 1.270 589 L HN 0.450 nan 8.230 nan 0.000 0.415 590 I N 3.154 123.261 120.570 -0.773 0.000 2.410 590 I HA 0.266 4.428 4.170 -0.013 0.000 0.286 590 I C -0.041 175.697 176.117 -0.632 0.000 1.009 590 I CA -0.388 60.589 61.300 -0.538 0.000 1.111 590 I CB 1.316 39.081 38.000 -0.391 0.000 1.262 590 I HN 0.474 nan 8.210 nan 0.000 0.443 591 F N 2.623 122.441 119.950 -0.221 0.000 2.104 591 F HA 0.022 4.541 4.527 -0.013 0.000 0.288 591 F C 1.585 177.267 175.800 -0.196 0.000 1.107 591 F CA 0.743 58.621 58.000 -0.204 0.000 1.208 591 F CB -0.143 38.752 39.000 -0.177 0.000 1.033 591 F HN 0.457 nan 8.300 nan 0.000 0.478 592 N N 1.938 120.638 118.700 -0.001 0.000 2.663 592 N HA 0.088 4.821 4.740 -0.013 0.000 0.250 592 N C -1.044 174.373 175.510 -0.154 0.000 1.129 592 N CA -0.332 52.673 53.050 -0.075 0.000 0.995 592 N CB 0.116 38.563 38.487 -0.067 0.000 1.324 592 N HN -0.037 nan 8.380 nan 0.000 0.512 593 L N 3.228 124.334 121.223 -0.194 0.000 2.536 593 L HA 0.047 4.380 4.340 -0.013 0.000 0.282 593 L C 0.525 177.127 176.870 -0.447 0.000 1.147 593 L CA 0.358 55.058 54.840 -0.233 0.000 0.936 593 L CB -0.362 41.593 42.059 -0.174 0.000 1.279 593 L HN 0.455 nan 8.230 nan 0.000 0.461 594 S N 1.976 117.480 115.700 -0.328 0.000 2.726 594 S HA 0.464 4.927 4.470 -0.013 0.000 0.308 594 S C 0.796 175.383 174.600 -0.021 0.000 1.115 594 S CA -0.742 57.254 58.200 -0.340 0.000 0.965 594 S CB 1.232 64.376 63.200 -0.093 0.000 1.145 594 S HN 0.469 nan 8.310 nan 0.000 0.532 595 E N 0.703 120.991 120.200 0.147 0.000 2.401 595 E HA -0.019 4.323 4.350 -0.013 0.000 0.199 595 E C 1.772 178.452 176.600 0.133 0.000 1.023 595 E CA 1.129 57.623 56.400 0.158 0.000 0.859 595 E CB -0.890 28.910 29.700 0.168 0.000 0.780 595 E HN 0.844 nan 8.360 nan 0.000 0.523 596 G N 1.108 109.975 108.800 0.112 0.000 2.572 596 G HA2 -0.161 3.791 3.960 -0.013 0.000 0.216 596 G HA3 -0.161 3.791 3.960 -0.013 0.000 0.216 596 G C 0.967 175.978 174.900 0.185 0.000 1.133 596 G CA 0.190 45.370 45.100 0.133 0.000 0.791 596 G HN 0.127 nan 8.290 nan 0.000 0.538 597 D N 0.525 121.006 120.400 0.135 0.000 2.355 597 D HA 0.076 4.708 4.640 -0.013 0.000 0.218 597 D C 1.027 177.482 176.300 0.259 0.000 1.004 597 D CA 0.158 54.235 54.000 0.127 0.000 0.880 597 D CB 0.214 41.032 40.800 0.030 0.000 0.911 597 D HN 0.056 nan 8.370 nan 0.000 0.528 598 S N 0.257 116.114 115.700 0.261 0.000 2.537 598 S HA 0.481 4.944 4.470 -0.013 0.000 0.286 598 S C 0.745 175.565 174.600 0.366 0.000 1.299 598 S CA 0.218 58.580 58.200 0.270 0.000 1.067 598 S CB 1.153 64.467 63.200 0.190 0.000 0.864 598 S HN 0.442 nan 8.310 nan 0.000 0.494 599 G N 1.280 110.299 108.800 0.366 0.000 2.343 599 G HA2 0.263 4.215 3.960 -0.013 0.000 0.289 599 G HA3 0.263 4.215 3.960 -0.013 0.000 0.289 599 G C -1.729 173.360 174.900 0.315 0.000 1.295 599 G CA -0.842 44.441 45.100 0.306 0.000 0.869 599 G HN 0.637 nan 8.290 nan 0.000 0.522 600 V N 0.891 120.882 119.914 0.127 0.000 2.370 600 V HA 0.571 4.683 4.120 -0.013 0.000 0.279 600 V C -0.948 175.264 176.094 0.197 0.000 1.029 600 V CA -0.422 61.971 62.300 0.155 0.000 0.870 600 V CB 0.632 32.483 31.823 0.046 0.000 0.984 600 V HN 0.540 nan 8.190 nan 0.000 0.451 601 Y N 3.260 123.769 120.300 0.348 0.000 2.352 601 Y HA 0.585 5.127 4.550 -0.013 0.000 0.339 601 Y C 0.371 176.522 175.900 0.419 0.000 0.992 601 Y CA -0.554 57.810 58.100 0.440 0.000 1.100 601 Y CB 1.679 40.336 38.460 0.329 0.000 1.192 601 Y HN 0.537 nan 8.280 nan 0.000 0.458 602 Q N 1.922 122.007 119.800 0.474 0.000 2.353 602 Q HA 0.461 4.794 4.340 -0.013 0.000 0.268 602 Q C -1.362 174.523 176.000 -0.191 0.000 1.045 602 Q CA -0.759 55.129 55.803 0.142 0.000 0.811 602 Q CB 2.645 31.397 28.738 0.023 0.000 1.305 602 Q HN 0.758 nan 8.270 nan 0.000 0.447 603 c N 5.458 123.682 118.600 -0.625 0.000 2.239 603 c HA 0.580 5.142 4.570 -0.013 0.000 0.323 603 c C -0.499 173.165 174.090 -0.710 0.000 1.205 603 c CA -0.422 55.206 56.329 -1.168 0.000 1.584 603 c CB -1.146 40.459 42.510 -1.507 0.000 2.201 603 c HN 0.724 nan 8.230 nan 0.000 0.475 604 L N 5.244 125.970 121.223 -0.829 0.000 2.358 604 L HA 0.762 5.094 4.340 -0.013 0.000 0.268 604 L C 0.324 176.816 176.870 -0.630 0.000 1.032 604 L CA -0.131 54.291 54.840 -0.697 0.000 0.805 604 L CB 1.744 43.324 42.059 -0.798 0.000 1.253 604 L HN 0.693 nan 8.230 nan 0.000 0.452 605 S N 0.063 115.615 115.700 -0.247 0.000 2.541 605 S HA 0.614 5.076 4.470 -0.013 0.000 0.280 605 S C -1.169 173.432 174.600 0.002 0.000 1.112 605 S CA -0.805 57.342 58.200 -0.090 0.000 0.925 605 S CB 1.946 65.076 63.200 -0.116 0.000 1.067 605 S HN 0.662 nan 8.310 nan 0.000 0.479 606 E N 1.222 121.405 120.200 -0.030 0.000 2.216 606 E HA 0.602 4.944 4.350 -0.013 0.000 0.260 606 E C -0.987 175.442 176.600 -0.284 0.000 0.880 606 E CA -0.727 55.434 56.400 -0.398 0.000 0.765 606 E CB 1.575 30.992 29.700 -0.473 0.000 1.174 606 E HN 0.669 nan 8.360 nan 0.000 0.417 607 E N 3.090 123.103 120.200 -0.311 0.000 2.185 607 E HA 0.314 4.656 4.350 -0.013 0.000 0.261 607 E C -1.052 175.426 176.600 -0.203 0.000 0.879 607 E CA -1.138 55.142 56.400 -0.201 0.000 0.756 607 E CB 0.706 30.315 29.700 -0.152 0.000 1.152 607 E HN 0.417 nan 8.360 nan 0.000 0.416 608 R N 3.309 123.714 120.500 -0.160 0.000 2.288 608 R HA 0.252 4.584 4.340 -0.013 0.000 0.330 608 R C 0.092 176.328 176.300 -0.106 0.000 1.069 608 R CA -0.423 55.601 56.100 -0.126 0.000 0.941 608 R CB 0.176 30.422 30.300 -0.091 0.000 0.998 608 R HN 0.378 nan 8.270 nan 0.000 0.452 609 V N 2.406 122.255 119.914 -0.108 0.000 6.448 609 V HA 0.190 4.302 4.120 -0.013 0.000 0.273 609 V C 1.592 177.631 176.094 -0.092 0.000 1.610 609 V CA -0.120 62.112 62.300 -0.114 0.000 0.593 609 V CB 0.742 32.491 31.823 -0.123 0.000 1.480 609 V HN 0.812 nan 8.190 nan 0.000 0.367 610 K N 0.143 120.487 120.400 -0.093 0.000 1.987 610 K HA -0.112 4.200 4.320 -0.013 0.000 0.222 610 K C 1.698 178.272 176.600 -0.044 0.000 1.029 610 K CA 2.177 58.420 56.287 -0.073 0.000 1.011 610 K CB -0.496 31.953 32.500 -0.084 0.000 0.769 610 K HN 0.851 nan 8.250 nan 0.000 0.444 611 N N 0.932 119.608 118.700 -0.040 0.000 2.387 611 N HA -0.070 4.662 4.740 -0.013 0.000 0.176 611 N C 0.135 175.633 175.510 -0.020 0.000 1.022 611 N CA 0.630 53.668 53.050 -0.021 0.000 0.883 611 N CB -0.280 38.196 38.487 -0.018 0.000 1.019 611 N HN 0.201 nan 8.380 nan 0.000 0.435 612 K N 0.280 120.664 120.400 -0.027 0.000 2.095 612 K HA 0.436 4.748 4.320 -0.013 0.000 0.252 612 K C -0.414 176.160 176.600 -0.044 0.000 0.977 612 K CA -0.810 55.465 56.287 -0.020 0.000 0.900 612 K CB 1.246 33.740 32.500 -0.010 0.000 1.060 612 K HN 0.068 nan 8.250 nan 0.000 0.449 613 T N -1.060 113.468 114.554 -0.043 0.000 2.867 613 T HA 0.383 4.726 4.350 -0.013 0.000 0.282 613 T C -0.374 174.243 174.700 -0.138 0.000 1.000 613 T CA -0.817 61.209 62.100 -0.125 0.000 1.042 613 T CB 1.231 69.998 68.868 -0.168 0.000 0.973 613 T HN 0.322 nan 8.240 nan 0.000 0.465 614 V N 3.806 123.592 119.914 -0.214 0.000 2.435 614 V HA 0.554 4.666 4.120 -0.013 0.000 0.290 614 V C -0.719 175.217 176.094 -0.264 0.000 1.030 614 V CA -0.763 61.448 62.300 -0.149 0.000 0.881 614 V CB 0.913 32.669 31.823 -0.111 0.000 0.983 614 V HN 0.876 nan 8.190 nan 0.000 0.445 615 F N 2.821 122.759 119.950 -0.020 0.000 2.492 615 F HA 0.683 5.203 4.527 -0.012 0.000 0.327 615 F C 0.363 176.133 175.800 -0.049 0.000 1.079 615 F CA -0.341 57.652 58.000 -0.012 0.000 0.967 615 F CB 1.857 40.866 39.000 0.014 0.000 1.169 615 F HN 0.361 nan 8.300 nan 0.000 0.472 616 Q N 1.026 120.901 119.800 0.125 0.000 2.377 616 Q HA 0.469 4.802 4.340 -0.013 0.000 0.279 616 Q C -1.667 174.303 176.000 -0.049 0.000 1.049 616 Q CA -0.960 54.849 55.803 0.009 0.000 0.825 616 Q CB 3.256 31.966 28.738 -0.047 0.000 1.401 616 Q HN 0.349 nan 8.270 nan 0.000 0.404 617 V N 3.077 122.951 119.914 -0.066 0.000 2.368 617 V HA 0.070 4.182 4.120 -0.013 0.000 0.266 617 V C 0.864 176.886 176.094 -0.121 0.000 1.045 617 V CA 0.110 62.344 62.300 -0.109 0.000 0.899 617 V CB 0.975 32.755 31.823 -0.072 0.000 1.006 617 V HN 0.749 nan 8.190 nan 0.000 0.470 618 V N 4.089 123.895 119.914 -0.179 0.000 2.346 618 V HA 0.211 4.323 4.120 -0.013 0.000 0.244 618 V C 0.966 176.975 176.094 -0.142 0.000 1.037 618 V CA 1.620 63.824 62.300 -0.159 0.000 1.029 618 V CB -0.152 31.547 31.823 -0.206 0.000 0.663 618 V HN 0.889 nan 8.190 nan 0.000 0.454 619 A N -0.115 122.588 122.820 -0.195 0.000 2.549 619 A HA 0.752 5.064 4.320 -0.013 0.000 0.297 619 A C -0.899 176.589 177.584 -0.160 0.000 1.061 619 A CA -0.631 51.303 52.037 -0.172 0.000 0.690 619 A CB 1.854 20.787 19.000 -0.113 0.000 1.287 619 A HN 0.186 nan 8.150 nan 0.000 0.402 620 K N 1.546 121.827 120.400 -0.197 0.000 2.376 620 K HA 0.589 4.902 4.320 -0.013 0.000 0.257 620 K C -1.422 174.987 176.600 -0.319 0.000 0.939 620 K CA -0.428 55.789 56.287 -0.115 0.000 0.809 620 K CB 0.856 33.338 32.500 -0.030 0.000 1.121 620 K HN 0.854 nan 8.250 nan 0.000 0.425 621 H N 2.592 121.709 119.070 0.079 0.000 2.529 621 H HA 0.312 4.860 4.556 -0.013 0.000 0.348 621 H C -1.012 174.364 175.328 0.080 0.000 1.079 621 H CA -0.831 55.271 56.048 0.090 0.000 1.198 621 H CB 1.928 31.855 29.762 0.275 0.000 1.521 621 H HN 0.226 nan 8.280 nan 0.000 0.514 622 V N 5.156 125.075 119.914 0.007 0.000 2.333 622 V HA 0.075 4.187 4.120 -0.013 0.000 0.274 622 V C -0.099 176.038 176.094 0.072 0.000 1.028 622 V CA -0.580 61.731 62.300 0.017 0.000 0.851 622 V CB 1.173 32.923 31.823 -0.121 0.000 1.000 622 V HN 0.366 nan 8.190 nan 0.000 0.456 623 L N 5.151 126.498 121.223 0.207 0.000 2.296 623 L HA 0.671 5.003 4.340 -0.013 0.000 0.286 623 L C -0.269 176.661 176.870 0.099 0.000 1.023 623 L CA -0.311 54.611 54.840 0.136 0.000 0.812 623 L CB 1.505 43.710 42.059 0.244 0.000 1.223 623 L HN 0.804 nan 8.230 nan 0.000 0.421 624 E N 3.977 124.160 120.200 -0.028 0.000 2.220 624 E HA 0.393 4.735 4.350 -0.013 0.000 0.256 624 E C -1.713 174.960 176.600 0.121 0.000 0.881 624 E CA -0.535 55.910 56.400 0.074 0.000 0.766 624 E CB 1.622 31.393 29.700 0.119 0.000 1.187 624 E HN 0.404 nan 8.360 nan 0.000 0.419 625 V N 5.811 125.822 119.914 0.162 0.000 2.432 625 V HA 0.425 4.537 4.120 -0.013 0.000 0.275 625 V C -0.580 175.632 176.094 0.198 0.000 1.043 625 V CA -0.254 62.157 62.300 0.184 0.000 0.925 625 V CB 0.548 32.455 31.823 0.140 0.000 0.985 625 V HN 0.723 nan 8.190 nan 0.000 0.466 626 K N 5.304 125.829 120.400 0.208 0.000 2.209 626 K HA 0.870 5.183 4.320 -0.013 0.000 0.238 626 K C -0.997 175.711 176.600 0.181 0.000 1.028 626 K CA -0.841 55.553 56.287 0.179 0.000 0.935 626 K CB 1.947 34.539 32.500 0.153 0.000 1.162 626 K HN 0.536 nan 8.250 nan 0.000 0.485 627 V N -1.024 118.957 119.914 0.113 0.000 2.848 627 V HA 0.492 4.604 4.120 -0.013 0.000 0.252 627 V C -1.714 174.393 176.094 0.022 0.000 1.760 627 V CA -0.153 62.179 62.300 0.053 0.000 0.901 627 V CB 1.139 32.953 31.823 -0.015 0.000 1.324 627 V HN 0.913 nan 8.190 nan 0.000 0.464 628 V N 0.000 119.916 119.914 0.003 0.000 2.409 628 V HA 0.000 4.112 4.120 -0.013 0.000 0.244 628 V CA 0.000 nan 62.300 nan 0.000 1.235 628 V CB 0.000 nan 31.823 nan 0.000 1.184 628 V HN 0.000 nan 8.190 nan 0.000 0.556