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 3hs0_1_I DATA FIRST_RESID 11 DATA SEQUENCE ScSLEGVEIK GGSFRLLQEG QALEYVcPSG FYPYPVQTRT cRSTGSWSTL DATA SEQUENCE KTQDQKTVRK AEcRAIHcPR PHDFENGEYW PRSPYYNVSD EISFHcYDGY DATA SEQUENCE TLRGSANRTc QVNGRWSGQT AIcDNGAGYc SNPGIPIGTR KVGSQYRLED DATA SEQUENCE SVTYHcSRGL TLRGSQRRTc QEGGSWSGTE PScQDSFMYD TPQEVAEAFL DATA SEQUENCE SSLTETXXXX XXXXXXXXXX XXKRKIVLDP SGSMNIYLVL DGSGSIGASD DATA SEQUENCE FTGAKKCLVN LIEKVASYGV KPRYGLVTYA TYPKIWVKVS EADSSNADWV DATA SEQUENCE TKQLNEINYE DHKLKSGTNT KKALQAVYSM MSWPXXVPPE GWNRTRHVII DATA SEQUENCE LMTDGLHNMG GDPITVIDEI RDLLYIGKDR KNPREDYLDV YVFGVGPLVN DATA SEQUENCE QVNINALASK KDNEQHVFKV KDMENLEDVF YQMIDESQSL SLcGMVWEHR DATA SEQUENCE KGTDYHKQPW QAKISVIRXX XXHEScMGAV VSEYFVLTAA HcFTVXXXXH DATA SEQUENCE SIKVSVGGEK RDLEIEVVLF HPNYNINGKK EAGIPEFYDY DVALIKLKNK DATA SEQUENCE LKYGQTIRPI cLPcTEGTTR ALRLPPTTTc QQQKEELLPA QDIKALFVSE DATA SEQUENCE EEKKLTRKEV YIKNGDKKGS cERDAQYAPG YDKVKDISEV VTPRFLcTGG DATA SEQUENCE VSPYADPNTc RGDSGGPLIV HKRSRFIQVG VISWGVVDVc KNQKRQKQVP DATA SEQUENCE AHARDFHINL FQVLPWLKEK LQDEDLGFLA 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 11 S HA 0.000 nan 4.470 nan 0.000 0.327 11 S C 0.000 174.471 174.600 -0.215 0.000 1.055 11 S CA 0.000 58.109 58.200 -0.151 0.000 1.107 11 S CB 0.000 63.157 63.200 -0.072 0.000 0.593 12 c N 1.285 119.698 118.600 -0.312 0.000 2.626 12 c HA 0.873 5.443 4.570 0.000 0.000 0.310 12 c C 0.563 174.724 174.090 0.118 0.000 1.191 12 c CA -0.684 55.399 56.329 -0.410 0.000 1.517 12 c CB 1.504 43.152 42.510 -1.436 0.000 2.102 12 c HN 0.983 nan 8.230 nan 0.000 0.479 13 S N 1.028 116.920 115.700 0.320 0.000 2.523 13 S HA 0.406 4.876 4.470 0.000 0.000 0.275 13 S C 0.029 174.969 174.600 0.566 0.000 1.281 13 S CA -0.408 58.025 58.200 0.387 0.000 1.050 13 S CB 0.039 63.365 63.200 0.212 0.000 0.937 13 S HN 0.624 nan 8.310 nan 0.000 0.492 14 L N 4.719 126.135 121.223 0.322 0.000 2.955 14 L HA 0.303 4.643 4.340 0.000 0.000 0.238 14 L C 0.111 176.961 176.870 -0.034 0.000 1.359 14 L CA 0.045 54.929 54.840 0.073 0.000 1.214 14 L CB -0.413 41.730 42.059 0.140 0.000 1.600 14 L HN 0.666 nan 8.230 nan 0.000 0.442 15 E N -0.542 119.648 120.200 -0.017 0.000 2.183 15 E HA 0.543 4.893 4.350 0.000 0.000 0.271 15 E C 0.828 177.373 176.600 -0.091 0.000 0.919 15 E CA -0.126 56.251 56.400 -0.039 0.000 0.781 15 E CB 1.761 31.469 29.700 0.013 0.000 1.140 15 E HN 0.231 nan 8.360 nan 0.000 0.402 16 G N 1.515 110.248 108.800 -0.113 0.000 2.179 16 G HA2 -0.315 3.645 3.960 0.000 0.000 0.260 16 G HA3 -0.315 3.645 3.960 0.000 0.000 0.260 16 G C 0.666 175.441 174.900 -0.209 0.000 0.977 16 G CA 0.329 45.353 45.100 -0.127 0.000 0.641 16 G HN 0.636 nan 8.290 nan 0.000 0.533 17 V N -0.422 119.301 119.914 -0.318 0.000 3.219 17 V HA 0.446 4.566 4.120 0.000 0.000 0.377 17 V C 1.175 176.965 176.094 -0.507 0.000 1.275 17 V CA 0.044 62.057 62.300 -0.479 0.000 1.366 17 V CB -0.567 30.790 31.823 -0.776 0.000 1.282 17 V HN 0.588 nan 8.190 nan 0.000 0.487 18 E N 1.398 121.408 120.200 -0.317 0.000 3.136 18 E HA 0.490 4.840 4.350 0.000 0.000 0.271 18 E C -0.265 176.179 176.600 -0.261 0.000 1.454 18 E CA -0.691 55.567 56.400 -0.237 0.000 1.194 18 E CB 1.818 31.431 29.700 -0.146 0.000 1.175 18 E HN 0.390 nan 8.360 nan 0.000 0.726 19 I N -0.244 120.219 120.570 -0.180 0.000 2.740 19 I HA 0.054 4.224 4.170 0.000 0.000 0.275 19 I C -1.055 174.989 176.117 -0.123 0.000 1.453 19 I CA -0.360 60.823 61.300 -0.195 0.000 1.151 19 I CB 0.894 38.745 38.000 -0.249 0.000 1.477 19 I HN 0.388 nan 8.210 nan 0.000 0.428 20 K N 4.814 125.141 120.400 -0.122 0.000 2.561 20 K HA 0.140 4.461 4.320 0.000 0.000 0.280 20 K C 1.017 177.558 176.600 -0.099 0.000 0.975 20 K CA 1.193 57.420 56.287 -0.100 0.000 1.024 20 K CB 0.176 32.619 32.500 -0.095 0.000 0.883 20 K HN 0.893 nan 8.250 nan 0.000 0.496 21 G N 1.622 110.371 108.800 -0.084 0.000 2.359 21 G HA2 -0.171 3.789 3.960 0.000 0.000 0.278 21 G HA3 -0.171 3.789 3.960 0.000 0.000 0.278 21 G C 0.336 175.270 174.900 0.058 0.000 0.872 21 G CA 0.659 45.731 45.100 -0.046 0.000 1.185 21 G HN 0.920 nan 8.290 nan 0.000 0.474 22 G N -1.404 107.439 108.800 0.071 0.000 2.500 22 G HA2 1.008 4.968 3.960 0.000 0.000 0.299 22 G HA3 1.008 4.968 3.960 0.000 0.000 0.299 22 G C -0.414 174.543 174.900 0.095 0.000 1.242 22 G CA 0.620 45.800 45.100 0.133 0.000 0.859 22 G HN 1.929 nan 8.290 nan 0.000 0.481 23 S N -1.693 114.093 115.700 0.144 0.000 2.661 23 S HA 0.861 5.331 4.470 0.000 0.000 0.268 23 S C -1.320 173.485 174.600 0.341 0.000 1.162 23 S CA -0.284 58.029 58.200 0.188 0.000 0.817 23 S CB 1.870 65.130 63.200 0.101 0.000 1.141 23 S HN 2.321 nan 8.310 nan 0.000 0.477 24 F N -1.061 118.937 119.950 0.079 0.000 2.713 24 F HA 0.871 5.398 4.527 0.000 0.000 0.311 24 F C -1.738 174.068 175.800 0.009 0.000 1.141 24 F CA -0.986 57.070 58.000 0.095 0.000 0.939 24 F CB 1.237 40.359 39.000 0.204 0.000 1.325 24 F HN 0.834 nan 8.300 nan 0.000 0.453 25 R N 2.534 122.841 120.500 -0.321 0.000 2.584 25 R HA 0.538 4.878 4.340 0.000 0.000 0.276 25 R C -1.555 174.638 176.300 -0.179 0.000 1.046 25 R CA -1.010 54.836 56.100 -0.423 0.000 0.906 25 R CB 2.549 32.719 30.300 -0.216 0.000 1.215 25 R HN 0.711 nan 8.270 nan 0.000 0.449 26 L N 4.177 125.310 121.223 -0.151 0.000 2.426 26 L HA 0.345 4.685 4.340 0.000 0.000 0.271 26 L C -0.093 176.794 176.870 0.027 0.000 1.169 26 L CA 0.077 54.942 54.840 0.042 0.000 0.836 26 L CB 0.260 42.389 42.059 0.117 0.000 1.112 26 L HN 0.386 nan 8.230 nan 0.000 0.465 27 L N 2.766 124.029 121.223 0.066 0.000 2.323 27 L HA 0.369 4.709 4.340 0.000 0.000 0.265 27 L C -0.030 176.871 176.870 0.051 0.000 1.012 27 L CA -0.809 54.053 54.840 0.036 0.000 0.820 27 L CB 1.670 43.739 42.059 0.017 0.000 1.334 27 L HN 0.647 nan 8.230 nan 0.000 0.427 28 Q N 1.058 120.873 119.800 0.024 0.000 2.468 28 Q HA -0.234 4.106 4.340 0.000 0.000 0.289 28 Q C 0.275 176.289 176.000 0.023 0.000 1.299 28 Q CA 0.971 56.785 55.803 0.019 0.000 0.838 28 Q CB -1.182 27.568 28.738 0.020 0.000 1.195 28 Q HN 0.844 nan 8.270 nan 0.000 0.456 29 E N -3.460 116.756 120.200 0.026 0.000 3.991 29 E HA -0.342 4.008 4.350 0.000 0.000 0.331 29 E C 0.774 177.405 176.600 0.051 0.000 0.628 29 E CA 1.290 57.707 56.400 0.028 0.000 1.192 29 E CB -1.189 28.518 29.700 0.012 0.000 1.683 29 E HN 1.013 nan 8.360 nan 0.000 0.416 30 G N -0.301 108.540 108.800 0.069 0.000 2.240 30 G HA2 -0.145 3.815 3.960 0.000 0.000 0.181 30 G HA3 -0.145 3.815 3.960 0.000 0.000 0.181 30 G C 0.291 175.183 174.900 -0.014 0.000 1.028 30 G CA 0.179 45.348 45.100 0.114 0.000 0.760 30 G HN 0.077 nan 8.290 nan 0.000 0.508 31 Q N -0.228 119.572 119.800 0.000 0.000 2.360 31 Q HA 0.532 4.873 4.340 0.000 0.000 0.202 31 Q C 0.854 176.867 176.000 0.023 0.000 0.915 31 Q CA 0.993 56.772 55.803 -0.040 0.000 0.943 31 Q CB 1.154 29.877 28.738 -0.025 0.000 1.064 31 Q HN 1.327 nan 8.270 nan 0.000 0.511 32 A N 0.914 123.799 122.820 0.108 0.000 2.480 32 A HA 0.341 4.662 4.320 0.000 0.000 0.302 32 A C -0.374 177.299 177.584 0.147 0.000 1.151 32 A CA -0.785 51.334 52.037 0.137 0.000 0.907 32 A CB -0.383 18.660 19.000 0.072 0.000 1.487 32 A HN 0.161 nan 8.150 nan 0.000 0.396 33 L N -0.509 120.850 121.223 0.226 0.000 2.475 33 L HA 0.914 5.254 4.340 0.000 0.000 0.212 33 L C 0.524 177.306 176.870 -0.146 0.000 1.204 33 L CA 0.100 54.982 54.840 0.069 0.000 0.843 33 L CB 0.091 42.149 42.059 -0.002 0.000 1.360 33 L HN 0.731 nan 8.230 nan 0.000 0.527 34 E N -1.812 118.206 120.200 -0.304 0.000 2.396 34 E HA 0.332 4.682 4.350 0.000 0.000 0.280 34 E C -2.095 174.265 176.600 -0.400 0.000 1.065 34 E CA -0.563 55.599 56.400 -0.396 0.000 0.831 34 E CB 1.215 30.844 29.700 -0.119 0.000 1.272 34 E HN 0.544 nan 8.360 nan 0.000 0.443 35 Y N -0.234 120.142 120.300 0.127 0.000 2.509 35 Y HA 0.633 5.183 4.550 0.000 0.000 0.341 35 Y C -0.015 175.948 175.900 0.105 0.000 1.038 35 Y CA -0.900 57.281 58.100 0.135 0.000 1.089 35 Y CB 2.086 40.599 38.460 0.088 0.000 1.241 35 Y HN 0.195 nan 8.280 nan 0.000 0.468 36 V N 2.387 122.461 119.914 0.266 0.000 2.483 36 V HA 0.415 4.535 4.120 0.000 0.000 0.297 36 V C -0.602 175.581 176.094 0.148 0.000 1.027 36 V CA -0.797 61.605 62.300 0.170 0.000 0.855 36 V CB 1.163 33.060 31.823 0.124 0.000 0.995 36 V HN 0.961 nan 8.190 nan 0.000 0.424 37 c N 5.960 124.625 118.600 0.109 0.000 2.407 37 c HA 0.573 5.143 4.570 0.000 0.000 0.366 37 c C -1.013 173.055 174.090 -0.038 0.000 1.213 37 c CA -0.920 55.424 56.329 0.024 0.000 2.011 37 c CB 1.467 44.003 42.510 0.042 0.000 2.306 37 c HN 0.705 nan 8.230 nan 0.000 0.527 38 P HA 0.021 nan 4.420 nan 0.000 0.212 38 P C -0.316 176.980 177.300 -0.007 0.000 1.180 38 P CA 0.711 63.609 63.100 -0.336 0.000 0.770 38 P CB 0.139 31.416 31.700 -0.706 0.000 0.568 39 S N -2.848 112.900 115.700 0.081 0.000 2.570 39 S HA 0.508 4.978 4.470 0.000 0.000 0.286 39 S C 0.237 174.927 174.600 0.151 0.000 1.099 39 S CA 0.045 58.310 58.200 0.108 0.000 0.913 39 S CB 1.387 64.621 63.200 0.057 0.000 1.085 39 S HN 0.771 nan 8.310 nan 0.000 0.480 40 G N 1.031 109.846 108.800 0.025 0.000 2.203 40 G HA2 -0.247 3.713 3.960 0.000 0.000 0.263 40 G HA3 -0.247 3.713 3.960 0.000 0.000 0.263 40 G C -0.286 174.381 174.900 -0.388 0.000 1.012 40 G CA 0.514 45.519 45.100 -0.159 0.000 0.749 40 G HN 0.450 nan 8.290 nan 0.000 0.512 41 F N -0.558 119.342 119.950 -0.085 0.000 2.563 41 F HA 0.690 5.217 4.527 0.000 0.000 0.316 41 F C 0.079 175.846 175.800 -0.053 0.000 1.076 41 F CA -1.359 56.566 58.000 -0.125 0.000 0.921 41 F CB 1.853 40.750 39.000 -0.171 0.000 1.209 41 F HN 0.255 nan 8.300 nan 0.000 0.462 42 Y N 0.603 120.848 120.300 -0.092 0.000 2.442 42 Y HA 0.744 5.294 4.550 0.000 0.000 0.344 42 Y C -3.250 172.628 175.900 -0.037 0.000 0.976 42 Y CA -3.811 54.210 58.100 -0.131 0.000 1.040 42 Y CB 1.339 39.480 38.460 -0.531 0.000 1.228 42 Y HN 0.253 nan 8.280 nan 0.000 0.451 43 P HA 0.043 nan 4.420 nan 0.000 0.269 43 P C -1.410 175.897 177.300 0.012 0.000 1.263 43 P CA 0.637 63.740 63.100 0.005 0.000 0.813 43 P CB -0.252 31.567 31.700 0.198 0.000 0.868 44 Y N 7.474 127.595 120.300 -0.298 0.000 2.323 44 Y HA 0.352 4.902 4.550 0.000 0.000 0.331 44 Y C -1.705 174.114 175.900 -0.134 0.000 1.092 44 Y CA -2.314 55.672 58.100 -0.190 0.000 1.150 44 Y CB 1.446 39.719 38.460 -0.312 0.000 1.200 44 Y HN 0.352 nan 8.280 nan 0.000 0.472 45 P HA 0.047 nan 4.420 nan 0.000 0.232 45 P C -0.870 176.346 177.300 -0.140 0.000 1.170 45 P CA 0.658 63.275 63.100 -0.805 0.000 0.824 45 P CB 0.465 31.614 31.700 -0.918 0.000 0.896 46 V N -2.694 117.202 119.914 -0.029 0.000 2.815 46 V HA 0.420 4.541 4.120 0.000 0.000 0.314 46 V C 1.250 177.508 176.094 0.273 0.000 1.064 46 V CA -0.705 61.672 62.300 0.129 0.000 0.952 46 V CB 1.831 33.720 31.823 0.110 0.000 1.020 46 V HN -0.166 nan 8.190 nan 0.000 0.439 47 Q N 1.899 121.870 119.800 0.286 0.000 2.137 47 Q HA 0.092 4.433 4.340 0.000 0.000 0.198 47 Q C 0.820 176.932 176.000 0.187 0.000 0.960 47 Q CA 1.509 57.510 55.803 0.331 0.000 0.847 47 Q CB 0.302 29.211 28.738 0.285 0.000 0.915 47 Q HN 1.064 nan 8.270 nan 0.000 0.448 48 T N -1.921 112.705 114.554 0.120 0.000 2.909 48 T HA 0.651 5.002 4.350 0.000 0.000 0.299 48 T C -0.768 173.976 174.700 0.074 0.000 1.073 48 T CA -1.050 61.050 62.100 0.001 0.000 0.999 48 T CB 2.319 71.197 68.868 0.016 0.000 1.098 48 T HN 0.102 nan 8.240 nan 0.000 0.477 49 R N 0.398 120.939 120.500 0.070 0.000 2.797 49 R HA 0.841 5.181 4.340 0.000 0.000 0.251 49 R C -0.166 176.224 176.300 0.150 0.000 1.107 49 R CA -0.903 55.282 56.100 0.142 0.000 1.084 49 R CB 1.666 32.090 30.300 0.207 0.000 1.205 49 R HN 0.930 nan 8.270 nan 0.000 0.515 50 T N -2.757 111.880 114.554 0.140 0.000 2.893 50 T HA 0.263 4.613 4.350 0.000 0.000 0.293 50 T C -0.210 174.526 174.700 0.060 0.000 1.027 50 T CA -0.744 61.412 62.100 0.092 0.000 0.988 50 T CB 1.277 70.179 68.868 0.057 0.000 1.043 50 T HN 0.592 nan 8.240 nan 0.000 0.461 51 c N 4.087 122.674 118.600 -0.022 0.000 2.648 51 c HA 0.483 5.053 4.570 0.000 0.000 0.419 51 c C 0.487 174.521 174.090 -0.095 0.000 1.352 51 c CA -0.405 55.838 56.329 -0.143 0.000 1.816 51 c CB -0.962 41.395 42.510 -0.256 0.000 2.598 51 c HN 0.780 nan 8.230 nan 0.000 0.598 52 R N 3.849 124.289 120.500 -0.100 0.000 2.474 52 R HA 0.272 4.612 4.340 0.000 0.000 0.295 52 R C 0.638 176.883 176.300 -0.091 0.000 0.980 52 R CA -0.160 55.903 56.100 -0.063 0.000 0.934 52 R CB 1.327 31.614 30.300 -0.021 0.000 1.101 52 R HN 0.861 nan 8.270 nan 0.000 0.469 53 S N -0.686 114.975 115.700 -0.065 0.000 3.033 53 S HA -0.030 4.440 4.470 0.000 0.000 0.258 53 S C 0.970 175.540 174.600 -0.049 0.000 1.207 53 S CA 0.064 58.225 58.200 -0.065 0.000 1.248 53 S CB -0.565 62.607 63.200 -0.047 0.000 0.932 53 S HN 0.719 nan 8.310 nan 0.000 0.472 54 T N -4.232 110.292 114.554 -0.049 0.000 2.959 54 T HA 0.571 4.921 4.350 0.000 0.000 0.254 54 T C 1.517 176.201 174.700 -0.027 0.000 1.003 54 T CA 0.405 62.489 62.100 -0.027 0.000 0.950 54 T CB 0.236 69.099 68.868 -0.010 0.000 1.090 54 T HN 1.039 nan 8.240 nan 0.000 0.503 55 G N 0.784 109.552 108.800 -0.053 0.000 2.231 55 G HA2 -0.140 3.820 3.960 0.000 0.000 0.206 55 G HA3 -0.140 3.820 3.960 0.000 0.000 0.206 55 G C 0.092 174.992 174.900 0.000 0.000 0.996 55 G CA -0.042 45.034 45.100 -0.041 0.000 0.645 55 G HN 0.695 nan 8.290 nan 0.000 0.498 56 S N -0.297 115.417 115.700 0.023 0.000 2.482 56 S HA 0.540 5.011 4.470 0.000 0.000 0.303 56 S C 0.697 175.380 174.600 0.138 0.000 1.091 56 S CA -0.474 57.810 58.200 0.140 0.000 1.057 56 S CB 1.278 64.548 63.200 0.116 0.000 1.031 56 S HN 0.315 nan 8.310 nan 0.000 0.485 57 W N 2.551 123.854 121.300 0.004 0.000 2.354 57 W HA 0.137 4.797 4.660 0.000 0.000 0.315 57 W C 1.385 177.910 176.519 0.009 0.000 1.206 57 W CA 0.918 58.267 57.345 0.008 0.000 1.290 57 W CB -0.196 29.270 29.460 0.009 0.000 1.152 57 W HN 0.624 nan 8.180 nan 0.000 0.489 58 S N -2.695 113.151 115.700 0.243 0.000 2.686 58 S HA 0.225 4.695 4.470 0.000 0.000 0.273 58 S C -0.313 174.342 174.600 0.092 0.000 1.060 58 S CA -0.813 57.469 58.200 0.137 0.000 0.845 58 S CB -0.078 63.204 63.200 0.137 0.000 1.086 58 S HN -0.144 nan 8.310 nan 0.000 0.461 59 T N 2.693 117.282 114.554 0.059 0.000 2.854 59 T HA 0.195 4.545 4.350 0.000 0.000 0.336 59 T C 0.608 175.321 174.700 0.023 0.000 1.095 59 T CA 0.154 62.274 62.100 0.034 0.000 1.118 59 T CB -0.095 68.787 68.868 0.024 0.000 1.025 59 T HN 0.502 nan 8.240 nan 0.000 0.549 60 L N 1.727 122.947 121.223 -0.004 0.000 3.073 60 L HA 0.238 4.579 4.340 0.000 0.000 0.242 60 L C 1.410 178.244 176.870 -0.059 0.000 1.317 60 L CA -0.216 54.601 54.840 -0.038 0.000 1.081 60 L CB -0.234 41.791 42.059 -0.058 0.000 1.456 60 L HN 0.690 nan 8.230 nan 0.000 0.525 61 K N 0.731 121.110 120.400 -0.034 0.000 2.430 61 K HA 0.001 4.321 4.320 0.000 0.000 0.245 61 K C 0.356 176.913 176.600 -0.073 0.000 0.792 61 K CA 1.701 57.969 56.287 -0.032 0.000 0.929 61 K CB 0.281 32.778 32.500 -0.006 0.000 0.816 61 K HN 0.302 nan 8.250 nan 0.000 0.874 62 T N -2.485 112.040 114.554 -0.048 0.000 2.686 62 T HA 0.004 4.354 4.350 0.000 0.000 0.289 62 T C 0.359 175.063 174.700 0.007 0.000 1.783 62 T CA -0.831 61.233 62.100 -0.061 0.000 0.966 62 T CB -0.024 68.830 68.868 -0.023 0.000 2.034 62 T HN 0.395 nan 8.240 nan 0.000 0.436 63 Q N 0.680 120.508 119.800 0.047 0.000 1.948 63 Q HA -0.049 4.291 4.340 0.000 0.000 0.205 63 Q C 0.348 176.377 176.000 0.048 0.000 0.992 63 Q CA 1.676 57.516 55.803 0.061 0.000 0.849 63 Q CB -0.418 28.374 28.738 0.090 0.000 0.918 63 Q HN 0.552 nan 8.270 nan 0.000 0.421 64 D N 0.771 121.204 120.400 0.055 0.000 2.380 64 D HA 0.039 4.679 4.640 0.000 0.000 0.254 64 D C 0.012 176.332 176.300 0.033 0.000 1.288 64 D CA 0.166 54.193 54.000 0.045 0.000 1.008 64 D CB 0.357 41.189 40.800 0.054 0.000 1.099 64 D HN -0.042 nan 8.370 nan 0.000 0.537 65 Q N -0.124 119.693 119.800 0.029 0.000 2.715 65 Q HA 0.267 4.607 4.340 0.000 0.000 0.399 65 Q C -0.904 175.109 176.000 0.021 0.000 1.017 65 Q CA -0.058 55.758 55.803 0.022 0.000 1.077 65 Q CB 0.438 29.188 28.738 0.020 0.000 1.350 65 Q HN 0.100 nan 8.270 nan 0.000 0.421 66 K N -0.425 119.989 120.400 0.023 0.000 2.426 66 K HA 0.554 4.874 4.320 0.000 0.000 0.251 66 K C -0.588 176.021 176.600 0.015 0.000 0.941 66 K CA -0.805 55.496 56.287 0.023 0.000 0.808 66 K CB 2.065 34.586 32.500 0.035 0.000 1.265 66 K HN -0.033 nan 8.250 nan 0.000 0.432 67 T N 1.788 116.350 114.554 0.013 0.000 2.851 67 T HA 0.244 4.594 4.350 0.000 0.000 0.298 67 T C -0.151 174.553 174.700 0.007 0.000 0.977 67 T CA -0.418 61.685 62.100 0.004 0.000 1.126 67 T CB 0.556 69.428 68.868 0.006 0.000 0.916 67 T HN 0.169 nan 8.240 nan 0.000 0.529 68 V N 4.387 124.295 119.914 -0.010 0.000 2.769 68 V HA 0.490 4.610 4.120 0.000 0.000 0.312 68 V C 0.707 176.790 176.094 -0.018 0.000 1.058 68 V CA -0.891 61.407 62.300 -0.003 0.000 0.952 68 V CB 2.091 33.904 31.823 -0.017 0.000 1.019 68 V HN 0.815 nan 8.190 nan 0.000 0.445 69 R N 0.733 121.227 120.500 -0.011 0.000 2.476 69 R HA 0.355 4.696 4.340 0.000 0.000 0.276 69 R C -0.293 175.985 176.300 -0.038 0.000 0.941 69 R CA -0.192 55.895 56.100 -0.022 0.000 1.088 69 R CB 0.548 30.842 30.300 -0.011 0.000 1.216 69 R HN 0.408 nan 8.270 nan 0.000 0.533 70 K N 1.096 121.471 120.400 -0.042 0.000 2.793 70 K HA 0.342 4.662 4.320 0.000 0.000 0.269 70 K C -1.409 175.144 176.600 -0.078 0.000 1.124 70 K CA -0.105 56.145 56.287 -0.063 0.000 1.074 70 K CB 1.318 33.790 32.500 -0.047 0.000 1.322 70 K HN 0.150 nan 8.250 nan 0.000 0.532 71 A N 3.522 126.261 122.820 -0.136 0.000 2.548 71 A HA 0.272 4.592 4.320 0.000 0.000 0.247 71 A C 0.017 177.496 177.584 -0.174 0.000 1.067 71 A CA 0.478 52.402 52.037 -0.188 0.000 0.757 71 A CB -0.068 18.729 19.000 -0.339 0.000 0.996 71 A HN 0.697 nan 8.150 nan 0.000 0.504 72 E N 0.949 121.074 120.200 -0.126 0.000 2.392 72 E HA 0.473 4.823 4.350 0.000 0.000 0.269 72 E C -1.493 175.013 176.600 -0.158 0.000 0.924 72 E CA -0.923 55.401 56.400 -0.126 0.000 0.784 72 E CB 1.380 31.028 29.700 -0.087 0.000 1.292 72 E HN 0.396 nan 8.360 nan 0.000 0.447 73 c N 2.131 120.637 118.600 -0.157 0.000 2.256 73 c HA 0.393 4.963 4.570 0.000 0.000 0.333 73 c C 0.532 174.582 174.090 -0.067 0.000 1.183 73 c CA -0.398 55.840 56.329 -0.152 0.000 1.692 73 c CB -1.176 41.229 42.510 -0.176 0.000 2.274 73 c HN 0.498 nan 8.230 nan 0.000 0.509 74 R N 1.868 122.181 120.500 -0.311 0.000 2.583 74 R HA 0.598 4.938 4.340 0.000 0.000 0.268 74 R C 0.273 176.409 176.300 -0.274 0.000 1.101 74 R CA -0.350 55.545 56.100 -0.341 0.000 1.180 74 R CB 0.660 30.540 30.300 -0.700 0.000 1.128 74 R HN 0.756 nan 8.270 nan 0.000 0.568 75 A N 1.956 124.504 122.820 -0.453 0.000 2.363 75 A HA 0.230 4.550 4.320 0.000 0.000 0.270 75 A C 0.362 177.469 177.584 -0.795 0.000 1.121 75 A CA -0.406 51.124 52.037 -0.845 0.000 0.800 75 A CB 0.108 18.685 19.000 -0.705 0.000 1.052 75 A HN 0.625 nan 8.150 nan 0.000 0.493 76 I N 2.005 122.198 120.570 -0.629 0.000 2.648 76 I HA 0.035 4.205 4.170 0.000 0.000 0.284 76 I C 0.149 175.973 176.117 -0.489 0.000 1.153 76 I CA 0.646 61.677 61.300 -0.448 0.000 1.426 76 I CB 0.255 38.108 38.000 -0.245 0.000 1.381 76 I HN 0.712 nan 8.210 nan 0.000 0.571 77 H N 3.962 122.959 119.070 -0.122 0.000 2.538 77 H HA 0.339 4.896 4.556 0.000 0.000 0.353 77 H C -0.704 174.575 175.328 -0.081 0.000 1.109 77 H CA -0.809 55.180 56.048 -0.099 0.000 1.192 77 H CB 1.519 31.205 29.762 -0.127 0.000 1.555 77 H HN 0.540 nan 8.280 nan 0.000 0.518 78 c N 4.348 122.935 118.600 -0.021 0.000 2.463 78 c HA 0.248 4.818 4.570 0.000 0.000 0.380 78 c C -1.973 172.161 174.090 0.074 0.000 1.264 78 c CA -1.331 54.841 56.329 -0.262 0.000 2.161 78 c CB 0.227 42.100 42.510 -1.061 0.000 2.515 78 c HN 0.625 nan 8.230 nan 0.000 0.565 79 P HA 0.185 nan 4.420 nan 0.000 0.271 79 P C -0.482 176.979 177.300 0.268 0.000 1.216 79 P CA -0.152 63.057 63.100 0.181 0.000 0.771 79 P CB 0.396 32.154 31.700 0.097 0.000 0.864 80 R N 4.658 125.252 120.500 0.156 0.000 2.390 80 R HA 0.288 4.628 4.340 0.000 0.000 0.291 80 R C -2.311 173.861 176.300 -0.214 0.000 1.070 80 R CA -1.845 54.324 56.100 0.115 0.000 1.014 80 R CB -0.101 30.335 30.300 0.227 0.000 1.007 80 R HN 0.318 nan 8.270 nan 0.000 0.466 81 P HA -0.019 nan 4.420 nan 0.000 0.263 81 P C -0.270 176.931 177.300 -0.165 0.000 1.195 81 P CA 0.071 62.958 63.100 -0.354 0.000 0.762 81 P CB 0.509 31.797 31.700 -0.686 0.000 0.799 82 H N 0.774 119.859 119.070 0.026 0.000 2.355 82 H HA 0.097 4.653 4.556 0.000 0.000 0.303 82 H C 0.212 175.603 175.328 0.104 0.000 1.061 82 H CA 1.218 57.304 56.048 0.064 0.000 1.368 82 H CB 0.245 30.022 29.762 0.026 0.000 1.412 82 H HN 0.411 nan 8.280 nan 0.000 0.523 83 D N -1.066 119.466 120.400 0.220 0.000 2.879 83 D HA 0.232 4.873 4.640 0.000 0.000 0.236 83 D C -1.712 174.728 176.300 0.234 0.000 1.171 83 D CA -0.558 53.564 54.000 0.204 0.000 0.868 83 D CB 1.731 42.608 40.800 0.128 0.000 1.598 83 D HN -0.122 nan 8.370 nan 0.000 0.497 84 F N 2.327 122.350 119.950 0.123 0.000 2.499 84 F HA 0.413 4.940 4.527 0.000 0.000 0.333 84 F C -0.207 175.605 175.800 0.021 0.000 1.138 84 F CA -0.592 57.458 58.000 0.084 0.000 0.945 84 F CB 1.273 40.422 39.000 0.248 0.000 1.181 84 F HN 0.211 nan 8.300 nan 0.000 0.435 85 E N 4.237 124.094 120.200 -0.570 0.000 2.343 85 E HA 0.188 4.538 4.350 0.000 0.000 0.269 85 E C -0.105 176.034 176.600 -0.767 0.000 1.047 85 E CA -0.276 55.835 56.400 -0.481 0.000 0.874 85 E CB 0.477 29.991 29.700 -0.310 0.000 1.033 85 E HN 0.659 nan 8.360 nan 0.000 0.409 86 N N 0.577 118.871 118.700 -0.677 0.000 2.741 86 N HA -0.178 4.562 4.740 0.000 0.000 0.250 86 N C -0.316 174.348 175.510 -1.409 0.000 1.115 86 N CA 1.325 53.737 53.050 -1.063 0.000 0.724 86 N CB -1.153 36.647 38.487 -1.146 0.000 1.090 86 N HN 0.737 nan 8.380 nan 0.000 0.558 87 G N -1.454 106.579 108.800 -1.277 0.000 2.380 87 G HA2 0.469 4.429 3.960 0.000 0.000 0.299 87 G HA3 0.469 4.429 3.960 0.000 0.000 0.299 87 G C -1.815 173.105 174.900 0.034 0.000 1.321 87 G CA -0.657 44.067 45.100 -0.626 0.000 0.823 87 G HN -0.029 nan 8.290 nan 0.000 0.496 88 E N -0.757 119.597 120.200 0.257 0.000 2.263 88 E HA 0.597 4.948 4.350 0.000 0.000 0.264 88 E C -1.332 175.393 176.600 0.208 0.000 0.923 88 E CA -0.604 55.926 56.400 0.217 0.000 0.802 88 E CB 2.239 32.036 29.700 0.162 0.000 1.228 88 E HN 0.670 nan 8.360 nan 0.000 0.417 89 Y N -1.970 118.315 120.300 -0.025 0.000 2.499 89 Y HA 0.719 5.269 4.550 0.000 0.000 0.347 89 Y C -1.297 174.549 175.900 -0.090 0.000 0.987 89 Y CA -1.358 56.554 58.100 -0.313 0.000 1.044 89 Y CB 1.465 39.404 38.460 -0.868 0.000 1.245 89 Y HN 0.522 nan 8.280 nan 0.000 0.461 90 W N 5.317 126.562 121.300 -0.092 0.000 2.781 90 W HA 0.697 5.357 4.660 0.000 0.000 0.333 90 W C -2.898 173.626 176.519 0.008 0.000 1.047 90 W CA -1.932 55.395 57.345 -0.030 0.000 1.236 90 W CB 2.401 31.877 29.460 0.026 0.000 1.394 90 W HN 0.450 nan 8.180 nan 0.000 0.466 91 P HA 0.489 nan 4.420 nan 0.000 0.301 91 P C -1.201 175.995 177.300 -0.173 0.000 1.309 91 P CA -0.715 62.002 63.100 -0.637 0.000 0.782 91 P CB 1.033 32.266 31.700 -0.778 0.000 1.282 92 R N 0.102 120.421 120.500 -0.302 0.000 2.246 92 R HA 0.589 4.929 4.340 0.000 0.000 0.332 92 R C -0.590 175.597 176.300 -0.189 0.000 0.974 92 R CA -0.185 55.871 56.100 -0.073 0.000 0.837 92 R CB 0.823 31.018 30.300 -0.175 0.000 1.145 92 R HN 0.454 nan 8.270 nan 0.000 0.467 93 S N 3.166 118.718 115.700 -0.247 0.000 2.600 93 S HA 0.348 4.818 4.470 0.000 0.000 0.300 93 S C -1.904 172.477 174.600 -0.365 0.000 1.087 93 S CA -1.379 56.529 58.200 -0.486 0.000 0.965 93 S CB 2.055 64.712 63.200 -0.905 0.000 1.089 93 S HN 0.353 nan 8.310 nan 0.000 0.496 94 P HA -0.003 nan 4.420 nan 0.000 0.215 94 P C -0.363 176.825 177.300 -0.187 0.000 1.153 94 P CA 1.397 64.319 63.100 -0.298 0.000 0.853 94 P CB -0.078 31.353 31.700 -0.448 0.000 0.788 95 Y N -5.589 114.577 120.300 -0.224 0.000 2.670 95 Y HA 0.638 5.188 4.550 0.000 0.000 0.334 95 Y C -1.154 174.595 175.900 -0.253 0.000 1.185 95 Y CA -1.886 56.122 58.100 -0.153 0.000 1.053 95 Y CB 0.495 38.758 38.460 -0.329 0.000 1.298 95 Y HN -0.301 nan 8.280 nan 0.000 0.459 96 Y N 1.134 121.606 120.300 0.287 0.000 2.393 96 Y HA 0.415 4.965 4.550 0.000 0.000 0.341 96 Y C -0.182 175.845 175.900 0.212 0.000 0.988 96 Y CA -0.920 57.312 58.100 0.219 0.000 1.078 96 Y CB 1.527 40.129 38.460 0.237 0.000 1.203 96 Y HN 0.591 nan 8.280 nan 0.000 0.453 97 N N 0.562 119.430 118.700 0.281 0.000 2.445 97 N HA 0.265 5.005 4.740 0.000 0.000 0.264 97 N C -0.689 174.841 175.510 0.034 0.000 1.227 97 N CA -0.496 52.657 53.050 0.172 0.000 0.963 97 N CB 0.967 39.530 38.487 0.126 0.000 1.188 97 N HN 0.285 nan 8.380 nan 0.000 0.491 98 V N 0.990 120.867 119.914 -0.062 0.000 2.901 98 V HA -0.027 4.093 4.120 0.000 0.000 0.307 98 V C 1.198 177.265 176.094 -0.045 0.000 1.084 98 V CA 0.727 62.965 62.300 -0.103 0.000 1.184 98 V CB 0.455 32.192 31.823 -0.144 0.000 0.941 98 V HN 1.011 nan 8.190 nan 0.000 0.493 99 S N 0.540 116.212 115.700 -0.047 0.000 3.261 99 S HA -0.196 4.274 4.470 0.000 0.000 0.287 99 S C -0.048 174.587 174.600 0.059 0.000 1.281 99 S CA 1.094 59.295 58.200 0.002 0.000 1.053 99 S CB -2.059 61.144 63.200 0.005 0.000 1.251 99 S HN 0.883 nan 8.310 nan 0.000 0.659 100 D N 1.864 122.317 120.400 0.089 0.000 2.304 100 D HA 0.587 5.227 4.640 0.000 0.000 0.247 100 D C 0.127 176.601 176.300 0.290 0.000 1.089 100 D CA 0.030 54.152 54.000 0.202 0.000 0.910 100 D CB 1.117 42.101 40.800 0.306 0.000 1.199 100 D HN 0.634 nan 8.370 nan 0.000 0.426 101 E N 1.195 121.565 120.200 0.282 0.000 2.183 101 E HA 0.563 4.913 4.350 0.000 0.000 0.271 101 E C -1.141 175.590 176.600 0.219 0.000 0.919 101 E CA -0.693 55.856 56.400 0.248 0.000 0.781 101 E CB 1.406 31.205 29.700 0.165 0.000 1.140 101 E HN 0.366 nan 8.360 nan 0.000 0.402 102 I N 2.659 123.258 120.570 0.048 0.000 2.498 102 I HA 0.374 4.544 4.170 0.000 0.000 0.290 102 I C -1.237 174.691 176.117 -0.316 0.000 1.032 102 I CA -0.318 60.856 61.300 -0.210 0.000 1.073 102 I CB 1.812 39.384 38.000 -0.713 0.000 1.251 102 I HN 0.441 nan 8.210 nan 0.000 0.426 103 S N 6.131 121.648 115.700 -0.305 0.000 2.532 103 S HA 0.669 5.139 4.470 0.000 0.000 0.301 103 S C -1.055 173.142 174.600 -0.673 0.000 1.083 103 S CA -0.371 57.627 58.200 -0.337 0.000 1.025 103 S CB 1.423 64.546 63.200 -0.128 0.000 1.056 103 S HN 0.389 nan 8.310 nan 0.000 0.494 104 F N 1.402 121.071 119.950 -0.469 0.000 2.507 104 F HA 0.507 5.034 4.527 0.000 0.000 0.325 104 F C 0.112 175.602 175.800 -0.517 0.000 1.116 104 F CA -0.610 57.110 58.000 -0.468 0.000 0.930 104 F CB 1.515 40.191 39.000 -0.539 0.000 1.146 104 F HN 0.547 nan 8.300 nan 0.000 0.447 105 H N 0.359 119.536 119.070 0.178 0.000 2.690 105 H HA 0.575 5.132 4.556 0.000 0.000 0.368 105 H C -1.021 174.440 175.328 0.222 0.000 1.150 105 H CA -0.903 55.247 56.048 0.171 0.000 1.174 105 H CB 1.474 31.304 29.762 0.113 0.000 1.684 105 H HN 0.606 nan 8.280 nan 0.000 0.538 106 c N 2.292 121.070 118.600 0.296 0.000 2.365 106 c HA 0.356 4.926 4.570 0.000 0.000 0.349 106 c C 0.036 174.289 174.090 0.271 0.000 1.191 106 c CA -0.673 55.782 56.329 0.210 0.000 2.114 106 c CB -0.094 42.536 42.510 0.201 0.000 2.367 106 c HN 0.614 nan 8.230 nan 0.000 0.530 107 Y N 0.929 121.314 120.300 0.142 0.000 2.279 107 Y HA 0.116 4.666 4.550 0.000 0.000 0.350 107 Y C 0.950 176.996 175.900 0.242 0.000 1.288 107 Y CA 0.169 58.361 58.100 0.153 0.000 1.547 107 Y CB 0.101 38.610 38.460 0.081 0.000 1.381 107 Y HN 0.569 nan 8.280 nan 0.000 0.630 108 D N 0.022 120.643 120.400 0.368 0.000 2.383 108 D HA 0.357 4.997 4.640 0.000 0.000 0.252 108 D C 1.105 177.562 176.300 0.261 0.000 1.166 108 D CA 1.291 55.436 54.000 0.241 0.000 0.879 108 D CB 0.721 41.600 40.800 0.133 0.000 1.164 108 D HN 0.746 nan 8.370 nan 0.000 0.462 109 G N 1.628 110.517 108.800 0.149 0.000 2.184 109 G HA2 -0.227 3.733 3.960 0.000 0.000 0.206 109 G HA3 -0.227 3.733 3.960 0.000 0.000 0.206 109 G C -0.298 174.477 174.900 -0.208 0.000 0.995 109 G CA -0.431 44.643 45.100 -0.043 0.000 0.651 109 G HN 0.443 nan 8.290 nan 0.000 0.511 110 Y N 1.291 121.648 120.300 0.095 0.000 2.409 110 Y HA 0.611 5.161 4.550 0.000 0.000 0.343 110 Y C 0.504 176.442 175.900 0.064 0.000 0.973 110 Y CA -0.424 57.721 58.100 0.075 0.000 1.064 110 Y CB 2.185 40.689 38.460 0.074 0.000 1.207 110 Y HN 0.084 nan 8.280 nan 0.000 0.452 111 T N 3.882 118.539 114.554 0.171 0.000 2.829 111 T HA 0.377 4.727 4.350 0.000 0.000 0.282 111 T C -0.766 173.997 174.700 0.105 0.000 0.990 111 T CA -0.686 61.483 62.100 0.114 0.000 1.028 111 T CB 1.213 70.120 68.868 0.065 0.000 0.951 111 T HN 0.404 nan 8.240 nan 0.000 0.460 112 L N 3.904 125.182 121.223 0.091 0.000 2.313 112 L HA 0.406 4.746 4.340 0.000 0.000 0.282 112 L C 0.183 177.073 176.870 0.033 0.000 1.092 112 L CA 0.063 54.945 54.840 0.071 0.000 0.831 112 L CB 0.100 42.209 42.059 0.082 0.000 1.159 112 L HN 0.505 nan 8.230 nan 0.000 0.442 113 R N 3.734 124.241 120.500 0.011 0.000 2.604 113 R HA 0.804 5.145 4.340 0.000 0.000 0.287 113 R C 0.090 176.365 176.300 -0.042 0.000 0.970 113 R CA -0.190 55.903 56.100 -0.011 0.000 0.946 113 R CB 1.623 31.916 30.300 -0.011 0.000 1.127 113 R HN 0.953 nan 8.270 nan 0.000 0.473 114 G N 0.695 109.466 108.800 -0.047 0.000 2.582 114 G HA2 -0.231 3.729 3.960 0.000 0.000 0.222 114 G HA3 -0.231 3.729 3.960 0.000 0.000 0.222 114 G C -0.948 173.907 174.900 -0.075 0.000 1.311 114 G CA -0.858 44.196 45.100 -0.076 0.000 0.915 114 G HN 0.463 nan 8.290 nan 0.000 0.528 115 S N 1.079 116.717 115.700 -0.104 0.000 2.400 115 S HA 0.521 4.991 4.470 0.000 0.000 0.295 115 S C 1.534 176.092 174.600 -0.070 0.000 1.113 115 S CA 0.763 58.918 58.200 -0.075 0.000 1.064 115 S CB 0.973 64.135 63.200 -0.063 0.000 0.990 115 S HN 1.727 nan 8.310 nan 0.000 0.502 116 A N 4.542 127.343 122.820 -0.031 0.000 1.873 116 A HA -0.111 4.209 4.320 0.000 0.000 0.218 116 A C 0.934 178.536 177.584 0.031 0.000 1.193 116 A CA 1.278 53.311 52.037 -0.007 0.000 0.629 116 A CB -0.274 18.709 19.000 -0.027 0.000 0.826 116 A HN 0.653 nan 8.150 nan 0.000 0.447 117 N N -0.231 118.473 118.700 0.006 0.000 2.417 117 N HA 0.587 5.327 4.740 0.000 0.000 0.300 117 N C -0.682 174.848 175.510 0.032 0.000 1.102 117 N CA -0.229 52.827 53.050 0.010 0.000 0.886 117 N CB 1.287 39.775 38.487 0.002 0.000 1.203 117 N HN 0.333 nan 8.380 nan 0.000 0.496 118 R N 0.197 120.719 120.500 0.037 0.000 2.604 118 R HA 0.491 4.831 4.340 0.000 0.000 0.281 118 R C -0.983 175.465 176.300 0.247 0.000 1.020 118 R CA -0.671 55.486 56.100 0.096 0.000 0.899 118 R CB 1.889 32.193 30.300 0.007 0.000 1.205 118 R HN 0.417 nan 8.270 nan 0.000 0.450 119 T N 0.895 115.632 114.554 0.305 0.000 2.888 119 T HA 0.197 4.547 4.350 0.000 0.000 0.284 119 T C -0.339 174.516 174.700 0.259 0.000 1.017 119 T CA -0.448 61.834 62.100 0.304 0.000 1.022 119 T CB 1.629 70.580 68.868 0.139 0.000 1.013 119 T HN 0.600 nan 8.240 nan 0.000 0.465 120 c N 3.772 122.364 118.600 -0.014 0.000 2.576 120 c HA 0.367 4.938 4.570 0.000 0.000 0.401 120 c C 0.389 174.341 174.090 -0.231 0.000 1.314 120 c CA -0.163 55.871 56.329 -0.492 0.000 1.855 120 c CB -1.123 40.983 42.510 -0.673 0.000 2.537 120 c HN 0.839 nan 8.230 nan 0.000 0.578 121 Q N 2.870 122.533 119.800 -0.229 0.000 2.193 121 Q HA 0.267 4.607 4.340 0.000 0.000 0.246 121 Q C 0.755 176.682 176.000 -0.122 0.000 0.959 121 Q CA -0.528 55.202 55.803 -0.122 0.000 0.904 121 Q CB 1.689 30.381 28.738 -0.076 0.000 1.238 121 Q HN 0.683 nan 8.270 nan 0.000 0.469 122 V N 2.138 122.007 119.914 -0.075 0.000 3.284 122 V HA -0.154 3.966 4.120 0.000 0.000 0.273 122 V C 0.535 176.606 176.094 -0.039 0.000 1.178 122 V CA 1.912 64.174 62.300 -0.064 0.000 1.177 122 V CB -0.749 31.055 31.823 -0.033 0.000 0.793 122 V HN 0.781 nan 8.190 nan 0.000 0.536 123 N N -0.689 117.989 118.700 -0.038 0.000 2.238 123 N HA 0.225 4.965 4.740 0.000 0.000 0.235 123 N C 1.075 176.578 175.510 -0.012 0.000 1.209 123 N CA 0.586 53.643 53.050 0.011 0.000 0.879 123 N CB 0.636 39.142 38.487 0.031 0.000 1.136 123 N HN 0.363 nan 8.380 nan 0.000 0.517 124 G N 0.692 109.443 108.800 -0.082 0.000 2.162 124 G HA2 -0.280 3.680 3.960 0.000 0.000 0.260 124 G HA3 -0.280 3.680 3.960 0.000 0.000 0.260 124 G C -0.261 174.510 174.900 -0.214 0.000 0.976 124 G CA -0.008 45.017 45.100 -0.124 0.000 0.655 124 G HN 0.401 nan 8.290 nan 0.000 0.533 125 R N -0.949 119.436 120.500 -0.191 0.000 2.604 125 R HA 0.484 4.825 4.340 0.000 0.000 0.287 125 R C -0.302 175.882 176.300 -0.194 0.000 0.970 125 R CA -0.817 55.190 56.100 -0.154 0.000 0.946 125 R CB 0.845 31.108 30.300 -0.062 0.000 1.127 125 R HN 0.223 nan 8.270 nan 0.000 0.473 126 W N 1.396 122.659 121.300 -0.062 0.000 2.218 126 W HA 0.093 4.753 4.660 0.000 0.000 0.326 126 W C 1.200 177.686 176.519 -0.055 0.000 1.276 126 W CA -0.038 57.267 57.345 -0.066 0.000 1.210 126 W CB 0.714 30.119 29.460 -0.092 0.000 1.143 126 W HN 0.576 nan 8.180 nan 0.000 0.563 127 S N 2.655 118.492 115.700 0.228 0.000 2.617 127 S HA 0.681 5.151 4.470 0.000 0.000 0.255 127 S C 0.878 175.532 174.600 0.091 0.000 1.318 127 S CA -0.068 58.201 58.200 0.115 0.000 0.978 127 S CB 0.363 63.617 63.200 0.090 0.000 0.961 127 S HN 1.339 nan 8.310 nan 0.000 0.582 128 G N 0.665 109.489 108.800 0.039 0.000 2.622 128 G HA2 -0.147 3.814 3.960 0.000 0.000 0.272 128 G HA3 -0.147 3.814 3.960 0.000 0.000 0.272 128 G C -0.786 174.108 174.900 -0.010 0.000 1.308 128 G CA 0.521 45.626 45.100 0.008 0.000 0.919 128 G HN 1.034 nan 8.290 nan 0.000 0.565 129 Q N -1.508 118.267 119.800 -0.042 0.000 2.333 129 Q HA 0.689 5.029 4.340 0.000 0.000 0.266 129 Q C 0.259 176.183 176.000 -0.126 0.000 1.053 129 Q CA -0.453 55.310 55.803 -0.067 0.000 0.890 129 Q CB 0.808 29.510 28.738 -0.060 0.000 1.337 129 Q HN 0.600 nan 8.270 nan 0.000 0.474 130 T N 1.448 115.914 114.554 -0.146 0.000 2.817 130 T HA 0.351 4.702 4.350 0.000 0.000 0.295 130 T C -0.290 174.261 174.700 -0.248 0.000 0.958 130 T CA -0.087 61.883 62.100 -0.217 0.000 1.157 130 T CB -0.060 68.695 68.868 -0.188 0.000 0.898 130 T HN 0.560 nan 8.240 nan 0.000 0.536 131 A N 4.911 127.485 122.820 -0.410 0.000 2.388 131 A HA 0.659 4.979 4.320 0.000 0.000 0.257 131 A C -0.032 177.464 177.584 -0.146 0.000 1.095 131 A CA -0.408 51.404 52.037 -0.375 0.000 0.791 131 A CB 0.048 18.544 19.000 -0.840 0.000 1.029 131 A HN 0.862 nan 8.150 nan 0.000 0.489 132 I N 1.074 121.598 120.570 -0.077 0.000 2.607 132 I HA 0.226 4.397 4.170 0.000 0.000 0.290 132 I C -1.032 175.038 176.117 -0.078 0.000 1.129 132 I CA -0.427 60.806 61.300 -0.112 0.000 1.042 132 I CB 2.147 40.074 38.000 -0.122 0.000 1.242 132 I HN 0.501 nan 8.210 nan 0.000 0.421 133 c N 3.658 122.142 118.600 -0.193 0.000 2.239 133 c HA 0.464 5.034 4.570 0.000 0.000 0.325 133 c C -0.131 173.988 174.090 0.050 0.000 1.231 133 c CA -0.179 56.100 56.329 -0.084 0.000 1.652 133 c CB -0.148 42.212 42.510 -0.251 0.000 2.284 133 c HN 0.570 nan 8.230 nan 0.000 0.499 134 D N 2.035 122.538 120.400 0.172 0.000 2.498 134 D HA 0.258 4.899 4.640 0.000 0.000 0.247 134 D C 0.508 176.936 176.300 0.213 0.000 1.070 134 D CA -0.249 53.874 54.000 0.204 0.000 0.842 134 D CB 1.160 42.014 40.800 0.091 0.000 1.361 134 D HN 0.623 nan 8.370 nan 0.000 0.484 135 N N 2.106 120.908 118.700 0.170 0.000 2.398 135 N HA 0.067 4.807 4.740 0.000 0.000 0.188 135 N C 1.237 176.730 175.510 -0.028 0.000 1.122 135 N CA 0.443 53.431 53.050 -0.103 0.000 0.866 135 N CB 0.103 38.458 38.487 -0.221 0.000 0.970 135 N HN 0.600 nan 8.380 nan 0.000 0.462 136 G N -0.433 108.393 108.800 0.042 0.000 2.258 136 G HA2 -0.279 3.681 3.960 0.000 0.000 0.274 136 G HA3 -0.279 3.681 3.960 0.000 0.000 0.274 136 G C 0.807 175.726 174.900 0.032 0.000 1.021 136 G CA 0.686 45.805 45.100 0.032 0.000 0.798 136 G HN 0.800 nan 8.290 nan 0.000 0.507 137 A N -0.737 122.122 122.820 0.066 0.000 2.108 137 A HA 0.669 4.989 4.320 0.000 0.000 0.206 137 A C 1.783 179.432 177.584 0.109 0.000 1.212 137 A CA 1.386 53.461 52.037 0.063 0.000 0.843 137 A CB -0.008 19.019 19.000 0.046 0.000 0.902 137 A HN 1.762 nan 8.150 nan 0.000 0.477 138 G N -1.894 107.019 108.800 0.188 0.000 2.491 138 G HA2 0.196 4.156 3.960 0.000 0.000 0.238 138 G HA3 0.196 4.156 3.960 0.000 0.000 0.238 138 G C 0.499 175.509 174.900 0.182 0.000 1.277 138 G CA 0.101 45.355 45.100 0.258 0.000 0.851 138 G HN 0.340 nan 8.290 nan 0.000 0.573 139 Y N 0.764 121.094 120.300 0.050 0.000 2.193 139 Y HA -0.189 4.361 4.550 0.000 0.000 0.285 139 Y C 1.680 177.547 175.900 -0.056 0.000 1.166 139 Y CA 1.155 59.244 58.100 -0.019 0.000 1.181 139 Y CB 0.045 38.470 38.460 -0.057 0.000 0.976 139 Y HN 0.455 nan 8.280 nan 0.000 0.520 140 c N -0.467 118.189 118.600 0.094 0.000 2.531 140 c HA 0.541 5.111 4.570 0.000 0.000 0.369 140 c C 0.600 174.768 174.090 0.131 0.000 1.258 140 c CA -0.652 55.654 56.329 -0.038 0.000 1.876 140 c CB 0.927 43.177 42.510 -0.432 0.000 2.256 140 c HN 0.483 nan 8.230 nan 0.000 0.510 141 S N 1.304 117.109 115.700 0.174 0.000 2.606 141 S HA 0.084 4.554 4.470 0.000 0.000 0.257 141 S C -0.136 174.541 174.600 0.128 0.000 1.327 141 S CA -0.230 58.066 58.200 0.160 0.000 0.984 141 S CB 0.115 63.390 63.200 0.125 0.000 0.941 141 S HN 0.771 nan 8.310 nan 0.000 0.576 142 N N 1.636 120.281 118.700 -0.091 0.000 2.420 142 N HA 0.208 4.948 4.740 0.000 0.000 0.262 142 N C -1.880 173.391 175.510 -0.399 0.000 1.144 142 N CA -1.873 50.897 53.050 -0.467 0.000 0.952 142 N CB 0.926 39.276 38.487 -0.228 0.000 1.081 142 N HN 0.291 nan 8.380 nan 0.000 0.480 143 P HA 0.019 nan 4.420 nan 0.000 0.222 143 P C 0.369 177.461 177.300 -0.348 0.000 1.147 143 P CA 0.744 63.441 63.100 -0.672 0.000 0.790 143 P CB -0.040 31.012 31.700 -1.081 0.000 0.780 144 G N -0.288 108.336 108.800 -0.294 0.000 2.796 144 G HA2 -0.189 3.771 3.960 0.000 0.000 0.571 144 G HA3 -0.189 3.771 3.960 0.000 0.000 0.571 144 G C -0.792 174.063 174.900 -0.074 0.000 1.370 144 G CA -0.598 44.390 45.100 -0.186 0.000 0.856 144 G HN 0.170 nan 8.290 nan 0.000 0.538 145 I N 1.489 122.024 120.570 -0.058 0.000 2.495 145 I HA 0.293 4.463 4.170 0.000 0.000 0.277 145 I C -2.285 173.800 176.117 -0.053 0.000 1.045 145 I CA -1.844 59.473 61.300 0.028 0.000 1.135 145 I CB 2.228 40.258 38.000 0.049 0.000 1.241 145 I HN 0.173 nan 8.210 nan 0.000 0.469 146 P HA 0.071 nan 4.420 nan 0.000 0.261 146 P C 0.032 177.264 177.300 -0.112 0.000 1.183 146 P CA 0.146 63.153 63.100 -0.156 0.000 0.761 146 P CB 0.359 31.927 31.700 -0.220 0.000 0.785 147 I N 2.947 123.436 120.570 -0.135 0.000 2.769 147 I HA 0.040 4.210 4.170 0.000 0.000 0.285 147 I C 1.592 177.668 176.117 -0.069 0.000 1.173 147 I CA 1.178 62.393 61.300 -0.143 0.000 1.389 147 I CB -0.754 37.090 38.000 -0.260 0.000 1.404 147 I HN 0.742 nan 8.210 nan 0.000 0.544 148 G N 3.921 112.656 108.800 -0.109 0.000 2.421 148 G HA2 -0.186 3.774 3.960 0.000 0.000 0.188 148 G HA3 -0.186 3.774 3.960 0.000 0.000 0.188 148 G C 0.260 175.211 174.900 0.085 0.000 1.001 148 G CA 0.007 45.058 45.100 -0.081 0.000 0.693 148 G HN 0.666 nan 8.290 nan 0.000 0.479 149 T N -1.051 113.549 114.554 0.077 0.000 2.923 149 T HA 0.799 5.150 4.350 0.000 0.000 0.281 149 T C -0.130 174.646 174.700 0.127 0.000 0.995 149 T CA -0.609 61.547 62.100 0.093 0.000 0.985 149 T CB 2.030 70.936 68.868 0.063 0.000 1.114 149 T HN 0.408 nan 8.240 nan 0.000 0.548 150 R N 0.561 121.039 120.500 -0.037 0.000 2.561 150 R HA 0.526 4.866 4.340 0.000 0.000 0.297 150 R C -0.830 175.441 176.300 -0.049 0.000 0.969 150 R CA -0.960 55.090 56.100 -0.084 0.000 0.879 150 R CB 2.102 32.222 30.300 -0.299 0.000 1.178 150 R HN 0.669 nan 8.270 nan 0.000 0.445 151 K N 2.767 123.141 120.400 -0.044 0.000 2.274 151 K HA 0.368 4.688 4.320 0.000 0.000 0.262 151 K C -1.076 175.437 176.600 -0.144 0.000 0.961 151 K CA -0.552 55.609 56.287 -0.210 0.000 0.833 151 K CB 1.601 33.958 32.500 -0.240 0.000 1.102 151 K HN 0.314 nan 8.250 nan 0.000 0.436 152 V N 2.827 122.641 119.914 -0.167 0.000 2.435 152 V HA 0.692 4.812 4.120 0.000 0.000 0.290 152 V C 0.121 176.150 176.094 -0.108 0.000 1.030 152 V CA -0.003 62.245 62.300 -0.088 0.000 0.881 152 V CB 1.038 32.839 31.823 -0.038 0.000 0.983 152 V HN 1.036 nan 8.190 nan 0.000 0.445 153 G N 3.557 112.321 108.800 -0.060 0.000 3.434 153 G HA2 -0.050 3.910 3.960 0.000 0.000 0.686 153 G HA3 -0.050 3.910 3.960 0.000 0.000 0.686 153 G C -0.074 174.819 174.900 -0.012 0.000 1.099 153 G CA -0.134 44.945 45.100 -0.034 0.000 0.931 153 G HN 0.709 nan 8.290 nan 0.000 0.520 154 S N 1.381 117.030 115.700 -0.085 0.000 2.666 154 S HA 0.220 4.690 4.470 0.000 0.000 0.239 154 S C 0.717 174.920 174.600 -0.663 0.000 1.031 154 S CA -0.044 58.019 58.200 -0.228 0.000 1.015 154 S CB 0.437 63.554 63.200 -0.138 0.000 0.981 154 S HN 0.657 nan 8.310 nan 0.000 0.547 155 Q N 0.898 120.452 119.800 -0.410 0.000 2.290 155 Q HA 0.303 4.643 4.340 0.000 0.000 0.259 155 Q C -1.205 174.699 176.000 -0.161 0.000 0.941 155 Q CA -0.267 55.306 55.803 -0.383 0.000 0.912 155 Q CB 0.945 29.600 28.738 -0.139 0.000 1.244 155 Q HN 0.393 nan 8.270 nan 0.000 0.441 156 Y N 1.073 121.488 120.300 0.192 0.000 2.774 156 Y HA 0.282 4.832 4.550 0.000 0.000 0.305 156 Y C 0.254 176.236 175.900 0.136 0.000 1.067 156 Y CA -0.591 57.684 58.100 0.292 0.000 1.304 156 Y CB 0.058 38.766 38.460 0.413 0.000 1.209 156 Y HN 0.335 nan 8.280 nan 0.000 0.543 157 R N 0.126 120.715 120.500 0.149 0.000 2.652 157 R HA 0.310 4.650 4.340 0.000 0.000 0.272 157 R C -0.409 175.844 176.300 -0.078 0.000 1.162 157 R CA -1.137 54.998 56.100 0.057 0.000 1.199 157 R CB 0.361 30.665 30.300 0.006 0.000 1.166 157 R HN 0.134 nan 8.270 nan 0.000 0.597 158 L N 2.486 123.546 121.223 -0.271 0.000 2.477 158 L HA -0.020 4.320 4.340 0.000 0.000 0.272 158 L C -0.057 176.648 176.870 -0.275 0.000 1.157 158 L CA 0.954 55.484 54.840 -0.516 0.000 0.889 158 L CB -0.205 41.341 42.059 -0.856 0.000 1.158 158 L HN 0.642 nan 8.230 nan 0.000 0.473 159 E N 1.306 121.369 120.200 -0.227 0.000 4.157 159 E HA -0.183 4.167 4.350 0.000 0.000 0.351 159 E C -0.365 176.211 176.600 -0.040 0.000 0.691 159 E CA 0.773 57.100 56.400 -0.122 0.000 1.380 159 E CB -1.257 28.376 29.700 -0.112 0.000 1.727 159 E HN 0.799 nan 8.360 nan 0.000 0.402 160 D N 0.207 120.602 120.400 -0.008 0.000 2.344 160 D HA 0.403 5.043 4.640 0.000 0.000 0.244 160 D C 0.153 176.582 176.300 0.216 0.000 1.134 160 D CA 0.229 54.288 54.000 0.098 0.000 0.930 160 D CB 0.832 41.724 40.800 0.153 0.000 1.175 160 D HN -0.131 nan 8.370 nan 0.000 0.437 161 S N -0.520 115.308 115.700 0.214 0.000 2.600 161 S HA 0.712 5.183 4.470 0.000 0.000 0.300 161 S C -0.709 173.998 174.600 0.179 0.000 1.087 161 S CA -0.861 57.489 58.200 0.249 0.000 0.965 161 S CB 1.839 65.118 63.200 0.132 0.000 1.089 161 S HN 0.328 nan 8.310 nan 0.000 0.496 162 V N -0.183 119.782 119.914 0.086 0.000 2.735 162 V HA 0.946 5.066 4.120 0.000 0.000 0.310 162 V C -0.330 175.638 176.094 -0.210 0.000 1.061 162 V CA -0.767 61.453 62.300 -0.133 0.000 0.913 162 V CB 1.331 32.956 31.823 -0.330 0.000 1.005 162 V HN 0.943 nan 8.190 nan 0.000 0.428 163 T N 1.364 115.755 114.554 -0.271 0.000 2.888 163 T HA 0.796 5.146 4.350 0.000 0.000 0.284 163 T C -1.109 173.383 174.700 -0.347 0.000 1.017 163 T CA -0.473 61.517 62.100 -0.183 0.000 1.022 163 T CB 1.475 70.313 68.868 -0.050 0.000 1.013 163 T HN 0.694 nan 8.240 nan 0.000 0.465 164 Y N 1.622 121.945 120.300 0.038 0.000 2.485 164 Y HA 0.642 5.192 4.550 0.000 0.000 0.345 164 Y C 0.630 176.604 175.900 0.122 0.000 0.998 164 Y CA -0.792 57.329 58.100 0.034 0.000 1.059 164 Y CB 1.886 40.327 38.460 -0.032 0.000 1.234 164 Y HN 0.972 nan 8.280 nan 0.000 0.461 165 H N -0.932 118.220 119.070 0.137 0.000 2.990 165 H HA 0.642 5.198 4.556 0.000 0.000 0.343 165 H C -1.667 173.705 175.328 0.072 0.000 1.270 165 H CA -1.208 54.885 56.048 0.076 0.000 1.118 165 H CB 1.094 30.875 29.762 0.031 0.000 1.861 165 H HN 0.693 nan 8.280 nan 0.000 0.544 166 c N 0.455 119.085 118.600 0.050 0.000 2.397 166 c HA 0.414 4.984 4.570 0.000 0.000 0.343 166 c C 1.015 175.118 174.090 0.021 0.000 1.188 166 c CA -0.403 55.925 56.329 -0.001 0.000 1.992 166 c CB 1.377 43.901 42.510 0.023 0.000 2.358 166 c HN 0.834 nan 8.230 nan 0.000 0.518 167 S N 2.051 117.766 115.700 0.024 0.000 2.575 167 S HA 0.048 4.518 4.470 0.000 0.000 0.295 167 S C 0.541 175.175 174.600 0.057 0.000 1.267 167 S CA -0.089 58.130 58.200 0.031 0.000 1.074 167 S CB 0.085 63.355 63.200 0.117 0.000 0.829 167 S HN 0.645 nan 8.310 nan 0.000 0.497 168 R N 3.097 123.632 120.500 0.058 0.000 2.538 168 R HA 0.139 4.480 4.340 0.000 0.000 0.273 168 R C 1.542 177.873 176.300 0.051 0.000 0.967 168 R CA 0.794 56.927 56.100 0.055 0.000 1.101 168 R CB -0.413 29.917 30.300 0.049 0.000 0.908 168 R HN 1.041 nan 8.270 nan 0.000 0.411 169 G N 0.940 109.765 108.800 0.042 0.000 2.176 169 G HA2 -0.233 3.727 3.960 0.000 0.000 0.232 169 G HA3 -0.233 3.727 3.960 0.000 0.000 0.232 169 G C -0.370 174.540 174.900 0.017 0.000 0.986 169 G CA -0.336 44.789 45.100 0.041 0.000 0.643 169 G HN 0.370 nan 8.290 nan 0.000 0.522 170 L N 0.931 122.158 121.223 0.008 0.000 2.309 170 L HA 0.849 5.189 4.340 0.000 0.000 0.261 170 L C 0.621 177.478 176.870 -0.021 0.000 1.021 170 L CA -0.104 54.719 54.840 -0.028 0.000 0.823 170 L CB 2.192 44.234 42.059 -0.028 0.000 1.366 170 L HN 0.338 nan 8.230 nan 0.000 0.423 171 T N -0.763 113.763 114.554 -0.048 0.000 2.885 171 T HA 0.699 5.049 4.350 0.000 0.000 0.285 171 T C -0.700 173.975 174.700 -0.041 0.000 1.019 171 T CA -0.715 61.365 62.100 -0.034 0.000 1.010 171 T CB 1.577 70.419 68.868 -0.043 0.000 1.022 171 T HN 0.313 nan 8.240 nan 0.000 0.466 172 L N 1.695 122.905 121.223 -0.021 0.000 2.334 172 L HA 0.602 4.943 4.340 0.000 0.000 0.277 172 L C 0.255 177.096 176.870 -0.049 0.000 1.075 172 L CA -0.440 54.383 54.840 -0.028 0.000 0.804 172 L CB 0.917 42.981 42.059 0.007 0.000 1.174 172 L HN 0.833 nan 8.230 nan 0.000 0.438 173 R N 3.969 124.424 120.500 -0.074 0.000 2.476 173 R HA 0.685 5.025 4.340 0.000 0.000 0.305 173 R C -0.394 175.844 176.300 -0.103 0.000 0.965 173 R CA 0.241 56.287 56.100 -0.090 0.000 0.867 173 R CB 1.042 31.277 30.300 -0.108 0.000 1.176 173 R HN 0.957 nan 8.270 nan 0.000 0.447 174 G N 1.525 110.269 108.800 -0.093 0.000 2.396 174 G HA2 -0.189 3.772 3.960 0.000 0.000 0.254 174 G HA3 -0.189 3.772 3.960 0.000 0.000 0.254 174 G C -1.240 173.620 174.900 -0.066 0.000 1.248 174 G CA -0.651 44.392 45.100 -0.095 0.000 1.033 174 G HN 0.531 nan 8.290 nan 0.000 0.502 175 S N 0.512 116.177 115.700 -0.058 0.000 2.523 175 S HA 0.391 4.861 4.470 0.000 0.000 0.275 175 S C 1.453 176.079 174.600 0.044 0.000 1.281 175 S CA 0.688 58.886 58.200 -0.004 0.000 1.050 175 S CB 1.495 64.707 63.200 0.020 0.000 0.937 175 S HN 0.940 nan 8.310 nan 0.000 0.492 176 Q N 3.398 123.240 119.800 0.070 0.000 2.269 176 Q HA 0.097 4.437 4.340 0.000 0.000 0.201 176 Q C 0.707 176.807 176.000 0.166 0.000 0.946 176 Q CA 0.878 56.757 55.803 0.126 0.000 0.877 176 Q CB 0.248 29.036 28.738 0.083 0.000 0.963 176 Q HN 0.543 nan 8.270 nan 0.000 0.472 177 R N 0.017 120.589 120.500 0.120 0.000 2.686 177 R HA 0.552 4.892 4.340 0.000 0.000 0.286 177 R C -1.298 175.083 176.300 0.135 0.000 0.969 177 R CA -0.782 55.384 56.100 0.110 0.000 0.898 177 R CB 1.384 31.724 30.300 0.067 0.000 1.183 177 R HN 0.122 nan 8.270 nan 0.000 0.456 178 R N 1.832 122.431 120.500 0.166 0.000 2.628 178 R HA 0.397 4.737 4.340 0.000 0.000 0.288 178 R C -1.158 175.375 176.300 0.388 0.000 0.980 178 R CA -0.923 55.326 56.100 0.248 0.000 0.891 178 R CB 2.729 33.180 30.300 0.251 0.000 1.188 178 R HN 0.574 nan 8.270 nan 0.000 0.450 179 T N 0.631 115.412 114.554 0.378 0.000 2.856 179 T HA 0.199 4.549 4.350 0.000 0.000 0.283 179 T C -0.458 174.329 174.700 0.145 0.000 1.008 179 T CA -0.505 61.772 62.100 0.294 0.000 0.997 179 T CB 1.697 70.635 68.868 0.117 0.000 0.992 179 T HN 0.618 nan 8.240 nan 0.000 0.454 180 c N 3.821 122.300 118.600 -0.202 0.000 2.576 180 c HA 0.398 4.968 4.570 0.000 0.000 0.401 180 c C 0.268 174.167 174.090 -0.317 0.000 1.314 180 c CA -0.106 55.814 56.329 -0.682 0.000 1.855 180 c CB -1.253 40.766 42.510 -0.820 0.000 2.537 180 c HN 0.839 nan 8.230 nan 0.000 0.578 181 Q N 2.706 122.355 119.800 -0.252 0.000 2.241 181 Q HA 0.235 4.575 4.340 0.000 0.000 0.262 181 Q C 0.904 176.885 176.000 -0.031 0.000 1.014 181 Q CA -0.538 55.194 55.803 -0.118 0.000 0.885 181 Q CB 1.408 30.107 28.738 -0.066 0.000 1.311 181 Q HN 0.834 nan 8.270 nan 0.000 0.461 182 E N 0.847 121.037 120.200 -0.017 0.000 2.097 182 E HA -0.235 4.115 4.350 0.000 0.000 0.196 182 E C 1.665 178.360 176.600 0.158 0.000 1.000 182 E CA 1.498 57.944 56.400 0.077 0.000 0.804 182 E CB -0.236 29.479 29.700 0.024 0.000 0.740 182 E HN 0.916 nan 8.360 nan 0.000 0.454 183 G N -0.633 108.201 108.800 0.057 0.000 2.450 183 G HA2 -0.184 3.776 3.960 0.000 0.000 0.220 183 G HA3 -0.184 3.776 3.960 0.000 0.000 0.220 183 G C 1.179 176.073 174.900 -0.010 0.000 1.130 183 G CA 1.071 46.182 45.100 0.019 0.000 0.760 183 G HN 0.588 nan 8.290 nan 0.000 0.557 184 G N -1.403 107.398 108.800 0.000 0.000 2.231 184 G HA2 -0.121 3.839 3.960 0.000 0.000 0.206 184 G HA3 -0.121 3.839 3.960 0.000 0.000 0.206 184 G C 0.577 175.390 174.900 -0.144 0.000 0.996 184 G CA 0.751 45.791 45.100 -0.101 0.000 0.645 184 G HN 1.508 nan 8.290 nan 0.000 0.498 185 S N -0.762 114.872 115.700 -0.111 0.000 2.713 185 S HA 0.743 5.213 4.470 0.000 0.000 0.283 185 S C -0.326 174.176 174.600 -0.162 0.000 1.161 185 S CA -0.757 57.396 58.200 -0.078 0.000 0.999 185 S CB 1.413 64.619 63.200 0.009 0.000 1.039 185 S HN 0.429 nan 8.310 nan 0.000 0.548 186 W N 1.763 123.074 121.300 0.018 0.000 2.376 186 W HA 0.513 5.173 4.660 0.000 0.000 0.322 186 W C 1.069 177.596 176.519 0.014 0.000 1.160 186 W CA -0.363 56.996 57.345 0.024 0.000 1.218 186 W CB 1.055 30.527 29.460 0.020 0.000 1.205 186 W HN 0.924 nan 8.180 nan 0.000 0.559 187 S N 2.565 118.407 115.700 0.237 0.000 2.587 187 S HA 0.587 5.057 4.470 0.000 0.000 0.260 187 S C 0.903 175.584 174.600 0.134 0.000 1.353 187 S CA 0.215 58.497 58.200 0.136 0.000 0.995 187 S CB 0.352 63.615 63.200 0.104 0.000 0.912 187 S HN 1.449 nan 8.310 nan 0.000 0.568 188 G N 0.214 109.051 108.800 0.061 0.000 2.601 188 G HA2 -0.068 3.892 3.960 0.000 0.000 0.261 188 G HA3 -0.068 3.892 3.960 0.000 0.000 0.261 188 G C -0.013 174.897 174.900 0.018 0.000 1.289 188 G CA 0.218 45.333 45.100 0.026 0.000 0.920 188 G HN 1.847 nan 8.290 nan 0.000 0.571 189 T N -1.057 113.488 114.554 -0.015 0.000 2.903 189 T HA 0.539 4.889 4.350 0.000 0.000 0.299 189 T C -0.064 174.581 174.700 -0.092 0.000 1.093 189 T CA 0.633 62.710 62.100 -0.038 0.000 1.002 189 T CB 1.699 70.538 68.868 -0.048 0.000 1.127 189 T HN 0.982 nan 8.240 nan 0.000 0.488 190 E N 3.320 123.448 120.200 -0.119 0.000 2.480 190 E HA 0.191 4.541 4.350 0.000 0.000 0.258 190 E C -2.131 174.322 176.600 -0.246 0.000 0.984 190 E CA -1.113 55.155 56.400 -0.219 0.000 0.930 190 E CB 0.443 30.032 29.700 -0.185 0.000 0.936 190 E HN 0.310 nan 8.360 nan 0.000 0.466 191 P HA 0.152 nan 4.420 nan 0.000 0.276 191 P C -1.360 175.788 177.300 -0.253 0.000 1.261 191 P CA -0.452 62.462 63.100 -0.310 0.000 0.800 191 P CB 1.287 32.729 31.700 -0.431 0.000 1.066 192 S N -1.370 114.226 115.700 -0.173 0.000 2.596 192 S HA 0.523 4.993 4.470 0.000 0.000 0.270 192 S C -1.263 173.275 174.600 -0.103 0.000 1.155 192 S CA -0.717 57.404 58.200 -0.132 0.000 0.827 192 S CB 0.370 63.503 63.200 -0.112 0.000 1.130 192 S HN 0.450 nan 8.310 nan 0.000 0.467 193 c N 2.066 120.615 118.600 -0.086 0.000 2.355 193 c HA 0.798 5.368 4.570 0.000 0.000 0.332 193 c C -0.579 173.438 174.090 -0.122 0.000 1.255 193 c CA -0.391 55.890 56.329 -0.080 0.000 1.792 193 c CB 0.901 43.384 42.510 -0.044 0.000 2.300 193 c HN 0.774 nan 8.230 nan 0.000 0.515 194 Q N 2.415 122.128 119.800 -0.145 0.000 2.337 194 Q HA 0.400 4.740 4.340 0.000 0.000 0.270 194 Q C -1.051 174.779 176.000 -0.283 0.000 1.043 194 Q CA -0.453 55.217 55.803 -0.221 0.000 0.794 194 Q CB 2.302 30.927 28.738 -0.190 0.000 1.281 194 Q HN 0.665 nan 8.270 nan 0.000 0.446 195 D N 0.414 120.526 120.400 -0.479 0.000 2.387 195 D HA 0.083 4.723 4.640 0.000 0.000 0.251 195 D C 1.170 177.153 176.300 -0.528 0.000 1.141 195 D CA -0.016 53.615 54.000 -0.613 0.000 0.987 195 D CB 1.123 41.109 40.800 -1.356 0.000 1.116 195 D HN 0.521 nan 8.370 nan 0.000 0.491 196 S N -0.197 115.294 115.700 -0.348 0.000 2.447 196 S HA -0.161 4.309 4.470 0.000 0.000 0.233 196 S C 1.690 176.149 174.600 -0.236 0.000 1.006 196 S CA 0.723 58.809 58.200 -0.188 0.000 0.957 196 S CB -0.523 62.678 63.200 0.002 0.000 0.773 196 S HN 0.596 nan 8.310 nan 0.000 0.507 197 F N -0.014 119.794 119.950 -0.236 0.000 2.714 197 F HA 0.545 5.072 4.527 0.000 0.000 0.294 197 F C 0.822 176.381 175.800 -0.400 0.000 1.120 197 F CA -1.068 56.806 58.000 -0.209 0.000 1.398 197 F CB -0.378 38.556 39.000 -0.110 0.000 1.120 197 F HN -0.010 nan 8.300 nan 0.000 0.589 198 M N 1.246 120.341 119.600 -0.841 0.000 2.248 198 M HA 0.211 4.691 4.480 0.000 0.000 0.337 198 M C -1.281 174.622 176.300 -0.662 0.000 1.121 198 M CA 0.427 55.398 55.300 -0.548 0.000 1.155 198 M CB 0.575 32.848 32.600 -0.545 0.000 1.514 198 M HN 0.126 nan 8.290 nan 0.000 0.452 199 Y N -0.847 119.445 120.300 -0.013 0.000 2.655 199 Y HA 0.328 4.878 4.550 0.000 0.000 0.336 199 Y C -0.630 175.282 175.900 0.022 0.000 1.154 199 Y CA -1.240 56.871 58.100 0.018 0.000 1.055 199 Y CB 1.334 39.825 38.460 0.051 0.000 1.295 199 Y HN 0.496 nan 8.280 nan 0.000 0.465 200 D N 1.207 121.756 120.400 0.248 0.000 2.280 200 D HA 0.219 4.859 4.640 0.000 0.000 0.236 200 D C -0.306 176.072 176.300 0.130 0.000 1.082 200 D CA -0.146 53.951 54.000 0.162 0.000 0.834 200 D CB 1.427 42.342 40.800 0.192 0.000 1.100 200 D HN 0.594 nan 8.370 nan 0.000 0.486 201 T N 0.251 114.857 114.554 0.086 0.000 2.932 201 T HA 0.114 4.464 4.350 0.000 0.000 0.312 201 T C -1.768 172.946 174.700 0.023 0.000 1.071 201 T CA -1.147 60.983 62.100 0.051 0.000 1.128 201 T CB 1.223 70.115 68.868 0.040 0.000 0.984 201 T HN 0.031 nan 8.240 nan 0.000 0.549 202 P HA -0.085 nan 4.420 nan 0.000 0.218 202 P C 1.573 178.844 177.300 -0.047 0.000 1.148 202 P CA 0.968 64.055 63.100 -0.022 0.000 0.822 202 P CB 0.021 31.715 31.700 -0.010 0.000 0.784 203 Q N -0.112 119.662 119.800 -0.043 0.000 2.096 203 Q HA -0.190 4.151 4.340 0.000 0.000 0.204 203 Q C 2.084 177.965 176.000 -0.199 0.000 0.982 203 Q CA 1.570 57.292 55.803 -0.136 0.000 0.850 203 Q CB -0.721 27.949 28.738 -0.115 0.000 0.901 203 Q HN 0.421 nan 8.270 nan 0.000 0.422 204 E N -0.400 119.737 120.200 -0.104 0.000 2.047 204 E HA -0.143 4.207 4.350 0.000 0.000 0.191 204 E C 2.018 178.592 176.600 -0.044 0.000 0.987 204 E CA 1.394 57.752 56.400 -0.069 0.000 0.799 204 E CB -0.007 29.694 29.700 0.001 0.000 0.752 204 E HN 0.142 nan 8.360 nan 0.000 0.449 205 V N 1.567 121.445 119.914 -0.060 0.000 2.343 205 V HA -0.286 3.834 4.120 0.000 0.000 0.247 205 V C 2.348 178.300 176.094 -0.236 0.000 1.051 205 V CA 1.809 63.986 62.300 -0.205 0.000 1.036 205 V CB -0.885 30.779 31.823 -0.264 0.000 0.654 205 V HN 0.310 nan 8.190 nan 0.000 0.451 206 A N 0.378 123.109 122.820 -0.147 0.000 1.851 206 A HA -0.299 4.021 4.320 0.000 0.000 0.216 206 A C 2.234 179.890 177.584 0.120 0.000 1.195 206 A CA 2.313 54.345 52.037 -0.009 0.000 0.622 206 A CB -0.636 18.439 19.000 0.125 0.000 0.831 206 A HN 0.572 nan 8.150 nan 0.000 0.444 207 E N 0.222 120.403 120.200 -0.031 0.000 2.038 207 E HA -0.110 4.240 4.350 0.000 0.000 0.195 207 E C 2.047 178.692 176.600 0.075 0.000 1.000 207 E CA 2.009 58.416 56.400 0.012 0.000 0.803 207 E CB -0.629 28.931 29.700 -0.233 0.000 0.750 207 E HN 0.459 nan 8.360 nan 0.000 0.448 208 A N -0.140 122.718 122.820 0.062 0.000 1.917 208 A HA -0.173 4.147 4.320 0.000 0.000 0.219 208 A C 2.284 179.977 177.584 0.181 0.000 1.182 208 A CA 1.712 53.842 52.037 0.154 0.000 0.633 208 A CB -1.063 18.118 19.000 0.301 0.000 0.819 208 A HN 0.481 nan 8.150 nan 0.000 0.448 209 F N 0.436 120.343 119.950 -0.072 0.000 2.060 209 F HA -0.078 4.450 4.527 0.000 0.000 0.295 209 F C 1.978 177.719 175.800 -0.100 0.000 1.120 209 F CA 1.732 59.640 58.000 -0.154 0.000 1.205 209 F CB -0.423 38.354 39.000 -0.372 0.000 0.986 209 F HN 0.130 nan 8.300 nan 0.000 0.470 210 L N -0.675 120.514 121.223 -0.057 0.000 2.042 210 L HA -0.238 4.102 4.340 0.000 0.000 0.210 210 L C 2.723 179.529 176.870 -0.108 0.000 1.076 210 L CA 1.562 56.337 54.840 -0.109 0.000 0.749 210 L CB -1.115 41.011 42.059 0.112 0.000 0.893 210 L HN 0.223 nan 8.230 nan 0.000 0.432 211 S N -1.052 114.643 115.700 -0.007 0.000 2.400 211 S HA -0.219 4.251 4.470 0.000 0.000 0.232 211 S C 2.253 176.839 174.600 -0.024 0.000 1.025 211 S CA 1.792 59.999 58.200 0.012 0.000 0.993 211 S CB -0.108 63.126 63.200 0.057 0.000 0.808 211 S HN 0.460 nan 8.310 nan 0.000 0.478 212 S N 0.211 115.874 115.700 -0.062 0.000 2.356 212 S HA 0.066 4.536 4.470 0.000 0.000 0.219 212 S C 1.735 176.287 174.600 -0.080 0.000 1.036 212 S CA 0.855 59.033 58.200 -0.035 0.000 0.965 212 S CB -0.550 62.636 63.200 -0.022 0.000 0.864 212 S HN 0.460 nan 8.310 nan 0.000 0.471 213 L N 2.212 123.261 121.223 -0.289 0.000 2.191 213 L HA 0.134 4.474 4.340 0.000 0.000 0.212 213 L C 1.051 177.796 176.870 -0.208 0.000 1.103 213 L CA 1.799 56.454 54.840 -0.308 0.000 0.769 213 L CB -0.747 40.897 42.059 -0.693 0.000 0.908 213 L HN 0.665 nan 8.230 nan 0.000 0.438 214 T N -3.908 110.523 114.554 -0.206 0.000 2.716 214 T HA 0.669 5.019 4.350 0.000 0.000 0.286 214 T C -0.626 174.003 174.700 -0.118 0.000 1.052 214 T CA -0.899 61.075 62.100 -0.210 0.000 1.024 214 T CB 2.003 70.644 68.868 -0.378 0.000 1.349 214 T HN 0.146 nan 8.240 nan 0.000 0.525 215 E N -0.453 119.684 120.200 -0.105 0.000 2.369 215 E HA 0.630 4.981 4.350 0.000 0.000 0.270 215 E C -0.902 175.680 176.600 -0.030 0.000 0.909 215 E CA -0.943 55.429 56.400 -0.047 0.000 0.775 215 E CB 2.428 32.109 29.700 -0.032 0.000 1.270 215 E HN 0.807 nan 8.360 nan 0.000 0.445 234 R N 1.750 122.359 120.500 0.182 0.000 2.596 234 R HA 0.463 4.803 4.340 0.000 0.000 0.267 234 R C -0.322 176.067 176.300 0.148 0.000 1.026 234 R CA -0.891 55.289 56.100 0.133 0.000 1.087 234 R CB 1.202 31.548 30.300 0.076 0.000 1.132 234 R HN 0.522 nan 8.270 nan 0.000 0.531 235 K N 0.530 120.886 120.400 -0.073 0.000 2.498 235 K HA 0.391 4.711 4.320 0.000 0.000 0.254 235 K C -0.934 175.506 176.600 -0.268 0.000 0.933 235 K CA -0.722 55.502 56.287 -0.105 0.000 0.806 235 K CB 1.487 33.994 32.500 0.011 0.000 1.301 235 K HN 0.395 nan 8.250 nan 0.000 0.432 236 I N 2.811 123.210 120.570 -0.285 0.000 2.396 236 I HA 0.072 4.242 4.170 0.000 0.000 0.289 236 I C -0.218 175.847 176.117 -0.087 0.000 1.056 236 I CA -1.101 60.069 61.300 -0.217 0.000 1.365 236 I CB 1.435 39.334 38.000 -0.168 0.000 1.407 236 I HN 0.351 nan 8.210 nan 0.000 0.509 237 V N 8.261 128.134 119.914 -0.069 0.000 2.370 237 V HA 0.189 4.309 4.120 0.000 0.000 0.257 237 V C 0.447 176.541 176.094 0.000 0.000 1.064 237 V CA -0.011 62.272 62.300 -0.028 0.000 0.975 237 V CB 0.195 32.003 31.823 -0.026 0.000 1.067 237 V HN 0.495 nan 8.190 nan 0.000 0.485 238 L N 3.699 124.928 121.223 0.009 0.000 2.352 238 L HA 0.565 4.905 4.340 0.000 0.000 0.269 238 L C 0.030 176.921 176.870 0.035 0.000 1.034 238 L CA -0.914 53.942 54.840 0.027 0.000 0.806 238 L CB 1.701 43.768 42.059 0.014 0.000 1.244 238 L HN 0.496 nan 8.230 nan 0.000 0.447 239 D N 1.169 121.601 120.400 0.054 0.000 2.344 239 D HA 0.234 4.874 4.640 0.000 0.000 0.244 239 D C -2.252 174.060 176.300 0.019 0.000 1.134 239 D CA -1.244 52.786 54.000 0.050 0.000 0.930 239 D CB 0.095 40.939 40.800 0.073 0.000 1.175 239 D HN 0.187 nan 8.370 nan 0.000 0.437 240 P HA 0.013 nan 4.420 nan 0.000 0.263 240 P C 0.093 177.388 177.300 -0.008 0.000 1.195 240 P CA 0.367 63.468 63.100 0.001 0.000 0.762 240 P CB 0.464 32.164 31.700 -0.000 0.000 0.799 241 S N 1.400 117.095 115.700 -0.008 0.000 3.682 241 S HA -0.126 4.344 4.470 0.000 0.000 0.354 241 S C 0.772 175.359 174.600 -0.022 0.000 1.034 241 S CA 0.724 58.916 58.200 -0.014 0.000 1.084 241 S CB -1.543 61.646 63.200 -0.017 0.000 0.903 241 S HN 0.791 nan 8.310 nan 0.000 0.470 242 G N -0.111 108.678 108.800 -0.018 0.000 2.857 242 G HA2 0.788 4.748 3.960 0.000 0.000 0.217 242 G HA3 0.788 4.748 3.960 0.000 0.000 0.217 242 G C -0.357 174.528 174.900 -0.026 0.000 1.357 242 G CA 0.177 45.261 45.100 -0.026 0.000 1.033 242 G HN 1.392 nan 8.290 nan 0.000 0.571 243 S N -1.800 113.880 115.700 -0.032 0.000 2.586 243 S HA 0.513 4.983 4.470 0.000 0.000 0.277 243 S C -1.274 173.284 174.600 -0.070 0.000 1.131 243 S CA -0.539 57.632 58.200 -0.047 0.000 0.848 243 S CB 1.215 64.386 63.200 -0.047 0.000 1.091 243 S HN 0.967 nan 8.310 nan 0.000 0.453 244 M N 3.347 122.889 119.600 -0.097 0.000 2.393 244 M HA 0.656 5.136 4.480 0.000 0.000 0.316 244 M C -1.907 174.263 176.300 -0.216 0.000 1.087 244 M CA -0.398 54.826 55.300 -0.128 0.000 0.937 244 M CB 1.611 34.160 32.600 -0.085 0.000 1.668 244 M HN 0.641 nan 8.290 nan 0.000 0.438 245 N N 5.397 123.931 118.700 -0.277 0.000 2.407 245 N HA 0.533 5.273 4.740 0.000 0.000 0.277 245 N C -1.495 173.713 175.510 -0.504 0.000 0.995 245 N CA -0.213 52.582 53.050 -0.425 0.000 0.903 245 N CB 1.882 40.112 38.487 -0.429 0.000 1.218 245 N HN 0.688 nan 8.380 nan 0.000 0.487 246 I N 2.953 123.214 120.570 -0.516 0.000 2.355 246 I HA 0.270 4.441 4.170 0.000 0.000 0.288 246 I C -0.806 175.199 176.117 -0.187 0.000 0.999 246 I CA -0.775 60.391 61.300 -0.223 0.000 1.163 246 I CB 0.602 38.579 38.000 -0.039 0.000 1.316 246 I HN 0.357 nan 8.210 nan 0.000 0.454 247 Y N 6.606 127.065 120.300 0.265 0.000 2.385 247 Y HA 0.451 5.002 4.550 0.000 0.000 0.341 247 Y C -0.128 175.924 175.900 0.253 0.000 0.965 247 Y CA -0.814 57.440 58.100 0.258 0.000 1.180 247 Y CB 0.692 39.290 38.460 0.231 0.000 1.139 247 Y HN 0.329 nan 8.280 nan 0.000 0.502 248 L N 5.228 126.647 121.223 0.327 0.000 2.268 248 L HA 0.429 4.769 4.340 0.000 0.000 0.289 248 L C -0.681 176.320 176.870 0.218 0.000 1.064 248 L CA -0.758 54.216 54.840 0.222 0.000 0.824 248 L CB 0.368 42.482 42.059 0.092 0.000 1.202 248 L HN 0.384 nan 8.230 nan 0.000 0.433 249 V N 4.751 124.811 119.914 0.243 0.000 2.328 249 V HA 0.322 4.442 4.120 0.000 0.000 0.278 249 V C -0.023 176.213 176.094 0.237 0.000 1.021 249 V CA -0.495 61.967 62.300 0.270 0.000 0.838 249 V CB 1.747 33.741 31.823 0.286 0.000 0.999 249 V HN 0.411 nan 8.190 nan 0.000 0.447 250 L N 4.375 125.706 121.223 0.181 0.000 2.322 250 L HA 0.654 4.994 4.340 0.000 0.000 0.279 250 L C -0.253 176.608 176.870 -0.014 0.000 1.036 250 L CA 0.054 54.918 54.840 0.040 0.000 0.807 250 L CB 1.638 43.621 42.059 -0.127 0.000 1.226 250 L HN 0.691 nan 8.230 nan 0.000 0.433 251 D N 2.415 122.707 120.400 -0.181 0.000 2.198 251 D HA 0.439 5.080 4.640 0.000 0.000 0.245 251 D C 0.221 176.394 176.300 -0.212 0.000 1.079 251 D CA -0.163 53.465 54.000 -0.620 0.000 0.854 251 D CB 1.929 42.484 40.800 -0.408 0.000 1.148 251 D HN 0.743 nan 8.370 nan 0.000 0.456 252 G N 2.032 110.657 108.800 -0.293 0.000 3.863 252 G HA2 0.108 4.068 3.960 0.000 0.000 0.290 252 G HA3 0.108 4.068 3.960 0.000 0.000 0.290 252 G C 0.530 175.429 174.900 -0.002 0.000 1.018 252 G CA -0.052 45.085 45.100 0.063 0.000 0.824 252 G HN 0.510 nan 8.290 nan 0.000 0.507 253 S N -0.768 114.882 115.700 -0.082 0.000 2.587 253 S HA 0.375 4.845 4.470 0.000 0.000 0.260 253 S C 1.845 176.522 174.600 0.128 0.000 1.353 253 S CA 0.389 58.585 58.200 -0.006 0.000 0.995 253 S CB 1.194 64.387 63.200 -0.012 0.000 0.912 253 S HN 0.329 nan 8.310 nan 0.000 0.568 254 G N 0.728 109.589 108.800 0.103 0.000 2.432 254 G HA2 -0.206 3.754 3.960 0.000 0.000 0.219 254 G HA3 -0.206 3.754 3.960 0.000 0.000 0.219 254 G C 1.656 176.636 174.900 0.134 0.000 1.135 254 G CA 0.963 46.153 45.100 0.151 0.000 0.767 254 G HN 1.036 nan 8.290 nan 0.000 0.550 255 S N 0.916 116.668 115.700 0.086 0.000 2.383 255 S HA -0.127 4.344 4.470 0.000 0.000 0.229 255 S C 2.252 176.884 174.600 0.053 0.000 1.030 255 S CA 1.145 59.382 58.200 0.062 0.000 1.002 255 S CB -0.286 62.944 63.200 0.050 0.000 0.829 255 S HN 0.176 nan 8.310 nan 0.000 0.467 256 I N 2.377 122.985 120.570 0.062 0.000 2.127 256 I HA 0.078 4.249 4.170 0.000 0.000 0.241 256 I C 1.791 177.881 176.117 -0.045 0.000 1.075 256 I CA 1.692 63.008 61.300 0.028 0.000 1.334 256 I CB -2.472 35.571 38.000 0.071 0.000 1.040 256 I HN 0.683 nan 8.210 nan 0.000 0.405 257 G N -0.984 107.747 108.800 -0.115 0.000 2.612 257 G HA2 0.057 4.017 3.960 0.000 0.000 0.686 257 G HA3 0.057 4.017 3.960 0.000 0.000 0.686 257 G C 0.483 174.933 174.900 -0.750 0.000 1.274 257 G CA 0.051 44.997 45.100 -0.257 0.000 0.849 257 G HN 0.482 nan 8.290 nan 0.000 0.595 258 A N 0.062 122.487 122.820 -0.658 0.000 1.843 258 A HA 0.329 4.649 4.320 0.000 0.000 0.213 258 A C 2.819 180.238 177.584 -0.275 0.000 1.202 258 A CA 2.705 54.334 52.037 -0.679 0.000 0.607 258 A CB -1.006 17.881 19.000 -0.188 0.000 0.847 258 A HN 2.045 nan 8.150 nan 0.000 0.445 259 S N 0.081 115.689 115.700 -0.154 0.000 2.359 259 S HA -0.235 4.235 4.470 0.000 0.000 0.222 259 S C 1.525 176.079 174.600 -0.076 0.000 1.038 259 S CA 2.045 60.196 58.200 -0.082 0.000 1.051 259 S CB -0.640 62.524 63.200 -0.060 0.000 0.944 259 S HN 0.535 nan 8.310 nan 0.000 0.433 260 D N -0.403 119.942 120.400 -0.091 0.000 2.403 260 D HA 0.015 4.655 4.640 0.000 0.000 0.227 260 D C 1.109 177.359 176.300 -0.082 0.000 0.995 260 D CA 0.366 54.318 54.000 -0.080 0.000 0.928 260 D CB -0.164 40.596 40.800 -0.066 0.000 0.887 260 D HN 0.507 nan 8.370 nan 0.000 0.529 261 F N 0.523 120.328 119.950 -0.242 0.000 2.208 261 F HA -0.090 4.437 4.527 0.000 0.000 0.282 261 F C 2.464 178.166 175.800 -0.163 0.000 1.071 261 F CA 1.370 59.238 58.000 -0.219 0.000 1.228 261 F CB -0.564 38.249 39.000 -0.312 0.000 1.088 261 F HN -0.055 nan 8.300 nan 0.000 0.512 262 T N -1.753 112.911 114.554 0.184 0.000 2.897 262 T HA -0.074 4.276 4.350 0.000 0.000 0.271 262 T C 2.110 176.741 174.700 -0.115 0.000 1.084 262 T CA 1.006 63.140 62.100 0.057 0.000 1.123 262 T CB -1.374 67.543 68.868 0.082 0.000 0.865 262 T HN 0.369 nan 8.240 nan 0.000 0.496 263 G N 1.035 109.758 108.800 -0.129 0.000 2.421 263 G HA2 0.156 4.116 3.960 0.000 0.000 0.217 263 G HA3 0.156 4.116 3.960 0.000 0.000 0.217 263 G C 1.801 176.548 174.900 -0.254 0.000 1.143 263 G CA 0.514 45.519 45.100 -0.158 0.000 0.784 263 G HN 0.710 nan 8.290 nan 0.000 0.541 264 A N 0.301 122.925 122.820 -0.327 0.000 2.016 264 A HA 0.164 4.484 4.320 0.000 0.000 0.217 264 A C 2.152 179.440 177.584 -0.492 0.000 1.162 264 A CA 1.733 53.519 52.037 -0.419 0.000 0.662 264 A CB -0.270 18.465 19.000 -0.442 0.000 0.812 264 A HN 0.344 nan 8.150 nan 0.000 0.450 265 K N 0.169 120.282 120.400 -0.479 0.000 2.057 265 K HA -0.157 4.163 4.320 0.000 0.000 0.207 265 K C 1.963 178.342 176.600 -0.367 0.000 1.049 265 K CA 1.601 57.638 56.287 -0.416 0.000 0.931 265 K CB -0.155 32.162 32.500 -0.304 0.000 0.714 265 K HN 0.429 nan 8.250 nan 0.000 0.440 266 K N 0.167 120.373 120.400 -0.323 0.000 2.009 266 K HA -0.185 4.135 4.320 0.000 0.000 0.210 266 K C 2.254 178.575 176.600 -0.465 0.000 1.049 266 K CA 1.789 57.886 56.287 -0.318 0.000 0.929 266 K CB -0.295 32.051 32.500 -0.256 0.000 0.714 266 K HN 0.264 nan 8.250 nan 0.000 0.440 267 C N 0.996 119.946 119.300 -0.583 0.000 2.398 267 C HA -0.145 4.315 4.460 0.000 0.000 0.276 267 C C 2.565 176.889 174.990 -1.109 0.000 1.222 267 C CA 0.758 59.221 59.018 -0.925 0.000 1.746 267 C CB -0.949 26.193 27.740 -0.996 0.000 2.039 267 C HN 0.419 nan 8.230 nan 0.000 0.470 268 L N 0.095 120.837 121.223 -0.802 0.000 2.201 268 L HA -0.103 4.237 4.340 0.000 0.000 0.212 268 L C 2.529 179.133 176.870 -0.444 0.000 1.105 268 L CA 0.841 55.309 54.840 -0.621 0.000 0.775 268 L CB -0.592 41.189 42.059 -0.463 0.000 0.913 268 L HN 0.221 nan 8.230 nan 0.000 0.440 269 V N 0.552 120.232 119.914 -0.390 0.000 2.233 269 V HA -0.323 3.797 4.120 0.000 0.000 0.247 269 V C 1.964 177.924 176.094 -0.223 0.000 1.050 269 V CA 2.505 64.641 62.300 -0.273 0.000 1.010 269 V CB -0.766 30.925 31.823 -0.221 0.000 0.637 269 V HN 0.546 nan 8.190 nan 0.000 0.444 270 N N 0.156 118.705 118.700 -0.253 0.000 2.289 270 N HA -0.163 4.577 4.740 0.000 0.000 0.184 270 N C 1.605 177.087 175.510 -0.047 0.000 1.016 270 N CA 1.060 54.032 53.050 -0.130 0.000 0.872 270 N CB -0.265 38.140 38.487 -0.137 0.000 0.973 270 N HN 0.391 nan 8.380 nan 0.000 0.433 271 L N 0.671 121.808 121.223 -0.143 0.000 2.093 271 L HA -0.042 4.298 4.340 0.000 0.000 0.208 271 L C 1.636 178.539 176.870 0.055 0.000 1.085 271 L CA 1.314 56.173 54.840 0.033 0.000 0.755 271 L CB -0.298 41.690 42.059 -0.118 0.000 0.904 271 L HN 0.130 nan 8.230 nan 0.000 0.435 272 I N -0.063 120.472 120.570 -0.058 0.000 2.142 272 I HA -0.265 3.905 4.170 0.000 0.000 0.240 272 I C 2.502 178.643 176.117 0.041 0.000 1.078 272 I CA 1.389 62.666 61.300 -0.038 0.000 1.343 272 I CB -1.242 36.641 38.000 -0.195 0.000 1.046 272 I HN 0.417 nan 8.210 nan 0.000 0.405 273 E N 0.573 120.774 120.200 0.002 0.000 2.021 273 E HA -0.306 4.044 4.350 0.000 0.000 0.200 273 E C 2.157 178.775 176.600 0.030 0.000 1.015 273 E CA 1.703 58.111 56.400 0.014 0.000 0.824 273 E CB -0.170 29.528 29.700 -0.003 0.000 0.762 273 E HN 0.166 nan 8.360 nan 0.000 0.454 274 K N 0.885 121.312 120.400 0.044 0.000 2.059 274 K HA -0.193 4.127 4.320 0.000 0.000 0.212 274 K C 1.943 178.590 176.600 0.078 0.000 1.050 274 K CA 1.413 57.722 56.287 0.038 0.000 0.927 274 K CB -0.655 31.915 32.500 0.117 0.000 0.714 274 K HN -0.002 nan 8.250 nan 0.000 0.447 275 V N 0.535 120.565 119.914 0.194 0.000 2.307 275 V HA -0.215 3.906 4.120 0.000 0.000 0.245 275 V C 2.337 178.559 176.094 0.213 0.000 1.045 275 V CA 1.963 64.432 62.300 0.282 0.000 1.024 275 V CB -1.006 30.992 31.823 0.292 0.000 0.651 275 V HN 0.494 nan 8.190 nan 0.000 0.449 276 A N 0.833 123.750 122.820 0.161 0.000 1.986 276 A HA -0.237 4.083 4.320 0.000 0.000 0.220 276 A C 2.424 180.045 177.584 0.061 0.000 1.171 276 A CA 2.285 54.394 52.037 0.121 0.000 0.640 276 A CB -0.757 18.309 19.000 0.110 0.000 0.811 276 A HN 0.724 nan 8.150 nan 0.000 0.451 277 S N -2.282 113.410 115.700 -0.012 0.000 2.603 277 S HA -0.015 4.455 4.470 0.000 0.000 0.229 277 S C 0.914 175.413 174.600 -0.167 0.000 0.972 277 S CA 0.416 58.549 58.200 -0.111 0.000 0.935 277 S CB -0.592 62.491 63.200 -0.196 0.000 0.769 277 S HN 0.500 nan 8.310 nan 0.000 0.536 278 Y N 1.950 122.266 120.300 0.026 0.000 2.583 278 Y HA 0.430 4.980 4.550 0.000 0.000 0.294 278 Y C 1.918 177.827 175.900 0.015 0.000 1.170 278 Y CA -0.642 57.468 58.100 0.017 0.000 1.265 278 Y CB -0.223 38.247 38.460 0.017 0.000 1.119 278 Y HN 0.397 nan 8.280 nan 0.000 0.522 279 G N -0.415 108.459 108.800 0.123 0.000 2.550 279 G HA2 -0.339 3.621 3.960 0.000 0.000 0.233 279 G HA3 -0.339 3.621 3.960 0.000 0.000 0.233 279 G C 0.274 175.216 174.900 0.070 0.000 1.170 279 G CA 0.252 45.402 45.100 0.082 0.000 0.693 279 G HN 0.432 nan 8.290 nan 0.000 0.512 280 V N -0.790 119.172 119.914 0.080 0.000 2.530 280 V HA 0.694 4.814 4.120 0.000 0.000 0.282 280 V C 0.105 176.218 176.094 0.032 0.000 1.048 280 V CA -1.171 61.155 62.300 0.044 0.000 0.997 280 V CB 1.597 33.438 31.823 0.029 0.000 0.987 280 V HN 0.254 nan 8.190 nan 0.000 0.477 281 K N 5.633 126.041 120.400 0.013 0.000 2.263 281 K HA 0.510 4.830 4.320 0.000 0.000 0.282 281 K C -2.636 173.928 176.600 -0.060 0.000 1.089 281 K CA -1.387 54.902 56.287 0.003 0.000 0.907 281 K CB 1.169 33.681 32.500 0.021 0.000 1.148 281 K HN 0.623 nan 8.250 nan 0.000 0.470 282 P HA 0.372 nan 4.420 nan 0.000 0.296 282 P C -0.690 176.395 177.300 -0.358 0.000 1.301 282 P CA -0.837 62.087 63.100 -0.295 0.000 0.862 282 P CB 1.007 32.431 31.700 -0.461 0.000 1.046 283 R N 2.289 122.637 120.500 -0.252 0.000 2.351 283 R HA 0.234 4.574 4.340 0.000 0.000 0.318 283 R C -0.203 175.951 176.300 -0.243 0.000 1.055 283 R CA 0.086 56.092 56.100 -0.156 0.000 0.968 283 R CB -0.170 30.082 30.300 -0.079 0.000 0.974 283 R HN 0.470 nan 8.270 nan 0.000 0.439 284 Y N 0.361 120.657 120.300 -0.008 0.000 2.408 284 Y HA 0.521 5.071 4.550 0.000 0.000 0.324 284 Y C 1.191 177.098 175.900 0.013 0.000 1.302 284 Y CA -0.120 57.968 58.100 -0.020 0.000 1.384 284 Y CB 1.667 40.152 38.460 0.041 0.000 1.367 284 Y HN 0.633 nan 8.280 nan 0.000 0.525 285 G N 0.927 109.891 108.800 0.273 0.000 2.753 285 G HA2 0.523 4.484 3.960 0.000 0.000 0.297 285 G HA3 0.523 4.484 3.960 0.000 0.000 0.297 285 G C -2.613 172.460 174.900 0.288 0.000 1.430 285 G CA -0.529 44.744 45.100 0.288 0.000 1.040 285 G HN 0.407 nan 8.290 nan 0.000 0.530 286 L N 2.174 123.566 121.223 0.281 0.000 2.406 286 L HA 0.822 5.162 4.340 0.000 0.000 0.272 286 L C -1.063 176.024 176.870 0.362 0.000 0.980 286 L CA -0.903 54.087 54.840 0.250 0.000 0.831 286 L CB 2.091 44.247 42.059 0.161 0.000 1.253 286 L HN 0.382 nan 8.230 nan 0.000 0.406 287 V N 3.186 123.304 119.914 0.340 0.000 2.612 287 V HA 0.590 4.710 4.120 0.000 0.000 0.301 287 V C -0.149 176.191 176.094 0.410 0.000 1.059 287 V CA -0.408 62.146 62.300 0.425 0.000 0.886 287 V CB 2.176 34.205 31.823 0.343 0.000 1.007 287 V HN 0.849 nan 8.190 nan 0.000 0.426 288 T N 2.076 116.948 114.554 0.531 0.000 2.929 288 T HA 0.873 5.224 4.350 0.000 0.000 0.284 288 T C -0.754 174.235 174.700 0.483 0.000 1.014 288 T CA -0.533 61.846 62.100 0.465 0.000 1.051 288 T CB 1.925 71.149 68.868 0.593 0.000 1.028 288 T HN 0.929 nan 8.240 nan 0.000 0.485 289 Y N -0.458 119.866 120.300 0.041 0.000 2.655 289 Y HA 0.907 5.457 4.550 0.000 0.000 0.336 289 Y C -0.398 175.302 175.900 -0.334 0.000 1.154 289 Y CA -1.003 57.059 58.100 -0.064 0.000 1.055 289 Y CB 0.943 39.444 38.460 0.069 0.000 1.295 289 Y HN 1.039 nan 8.280 nan 0.000 0.465 290 A N 0.350 123.183 122.820 0.021 0.000 5.274 290 A HA 0.342 4.662 4.320 0.000 0.000 0.127 290 A C 0.872 178.527 177.584 0.118 0.000 1.033 290 A CA 0.112 52.138 52.037 -0.018 0.000 1.722 290 A CB -0.495 18.442 19.000 -0.105 0.000 2.569 290 A HN 0.816 nan 8.150 nan 0.000 1.155 291 T N 0.038 114.618 114.554 0.044 0.000 2.721 291 T HA -0.014 4.336 4.350 0.000 0.000 0.268 291 T C 0.037 174.499 174.700 -0.397 0.000 1.038 291 T CA 2.265 64.266 62.100 -0.165 0.000 1.145 291 T CB -0.530 68.249 68.868 -0.148 0.000 0.858 291 T HN 0.381 nan 8.240 nan 0.000 0.459 292 Y N -0.182 120.226 120.300 0.179 0.000 2.545 292 Y HA 0.465 5.015 4.550 0.000 0.000 0.348 292 Y C -2.747 173.304 175.900 0.252 0.000 1.002 292 Y CA -3.185 55.020 58.100 0.174 0.000 1.039 292 Y CB 1.638 40.176 38.460 0.130 0.000 1.271 292 Y HN -0.192 nan 8.280 nan 0.000 0.467 293 P HA 0.286 nan 4.420 nan 0.000 0.292 293 P C -1.177 176.301 177.300 0.297 0.000 1.287 293 P CA -0.783 62.519 63.100 0.337 0.000 0.800 293 P CB 1.320 33.146 31.700 0.211 0.000 0.945 294 K N 3.526 124.134 120.400 0.347 0.000 2.274 294 K HA 0.495 4.815 4.320 0.000 0.000 0.262 294 K C -0.892 175.797 176.600 0.148 0.000 0.961 294 K CA -0.736 55.644 56.287 0.156 0.000 0.833 294 K CB 0.209 32.748 32.500 0.066 0.000 1.102 294 K HN 0.256 nan 8.250 nan 0.000 0.436 295 I N 4.463 125.048 120.570 0.024 0.000 2.395 295 I HA 0.197 4.367 4.170 0.000 0.000 0.289 295 I C 0.095 176.182 176.117 -0.051 0.000 1.023 295 I CA 0.123 61.482 61.300 0.099 0.000 1.350 295 I CB 0.890 38.951 38.000 0.102 0.000 1.409 295 I HN 0.745 nan 8.210 nan 0.000 0.507 296 W N 4.295 125.659 121.300 0.107 0.000 2.940 296 W HA 0.473 5.133 4.660 0.000 0.000 0.297 296 W C -0.483 176.082 176.519 0.077 0.000 1.149 296 W CA 0.015 57.401 57.345 0.067 0.000 1.564 296 W CB 0.510 29.990 29.460 0.034 0.000 1.010 296 W HN 0.101 nan 8.180 nan 0.000 0.578 297 V N 1.288 121.389 119.914 0.313 0.000 2.882 297 V HA 0.227 4.347 4.120 0.000 0.000 0.295 297 V C -0.594 175.655 176.094 0.259 0.000 1.273 297 V CA -1.623 60.847 62.300 0.283 0.000 0.949 297 V CB 2.121 34.107 31.823 0.271 0.000 1.071 297 V HN -0.218 nan 8.190 nan 0.000 0.432 298 K N 2.227 122.767 120.400 0.233 0.000 2.164 298 K HA 0.529 4.849 4.320 0.000 0.000 0.258 298 K C 1.003 177.722 176.600 0.199 0.000 0.951 298 K CA -0.633 55.779 56.287 0.208 0.000 0.844 298 K CB 2.484 35.082 32.500 0.163 0.000 1.099 298 K HN 0.542 nan 8.250 nan 0.000 0.435 299 V N -0.991 119.042 119.914 0.199 0.000 2.490 299 V HA -0.258 3.862 4.120 0.000 0.000 0.250 299 V C 2.054 178.225 176.094 0.129 0.000 1.061 299 V CA 2.013 64.406 62.300 0.154 0.000 1.064 299 V CB -0.915 31.007 31.823 0.164 0.000 0.670 299 V HN 0.872 nan 8.190 nan 0.000 0.461 300 S N 0.442 116.221 115.700 0.133 0.000 2.419 300 S HA -0.147 4.323 4.470 0.000 0.000 0.235 300 S C 0.832 175.484 174.600 0.086 0.000 1.019 300 S CA 0.734 58.998 58.200 0.106 0.000 0.982 300 S CB -0.882 62.378 63.200 0.099 0.000 0.789 300 S HN 0.833 nan 8.310 nan 0.000 0.490 301 E N 0.901 121.158 120.200 0.095 0.000 2.398 301 E HA 0.410 4.760 4.350 0.000 0.000 0.263 301 E C 1.207 177.835 176.600 0.046 0.000 1.046 301 E CA 0.109 56.552 56.400 0.071 0.000 0.908 301 E CB 0.474 30.232 29.700 0.097 0.000 0.963 301 E HN 0.364 nan 8.360 nan 0.000 0.431 302 A N 3.426 126.254 122.820 0.012 0.000 2.019 302 A HA -0.214 4.107 4.320 0.000 0.000 0.219 302 A C 1.594 179.162 177.584 -0.026 0.000 1.164 302 A CA 1.831 53.864 52.037 -0.007 0.000 0.644 302 A CB -0.376 18.610 19.000 -0.023 0.000 0.805 302 A HN 0.779 nan 8.150 nan 0.000 0.449 303 D N -0.743 119.619 120.400 -0.063 0.000 2.107 303 D HA -0.061 4.579 4.640 0.000 0.000 0.204 303 D C 1.489 177.815 176.300 0.044 0.000 0.978 303 D CA 1.217 55.157 54.000 -0.101 0.000 0.852 303 D CB -1.001 39.570 40.800 -0.382 0.000 1.008 303 D HN 0.255 nan 8.370 nan 0.000 0.458 304 S N 0.697 116.491 115.700 0.156 0.000 4.152 304 S HA -0.380 4.090 4.470 0.000 0.000 0.538 304 S C 1.834 176.607 174.600 0.289 0.000 1.122 304 S CA 3.022 61.377 58.200 0.257 0.000 3.542 304 S CB -1.573 61.721 63.200 0.157 0.000 2.163 304 S HN 0.484 nan 8.310 nan 0.000 0.456 305 S N 1.833 117.641 115.700 0.180 0.000 2.546 305 S HA -0.277 4.193 4.470 0.000 0.000 0.293 305 S C 0.790 175.513 174.600 0.204 0.000 1.180 305 S CA 1.582 59.875 58.200 0.155 0.000 1.075 305 S CB -0.878 62.365 63.200 0.072 0.000 0.879 305 S HN 0.652 nan 8.310 nan 0.000 0.476 306 N N 1.273 120.102 118.700 0.216 0.000 2.399 306 N HA 0.353 5.093 4.740 0.000 0.000 0.259 306 N C 0.705 176.367 175.510 0.254 0.000 1.160 306 N CA 0.494 53.673 53.050 0.215 0.000 0.946 306 N CB 0.869 39.476 38.487 0.199 0.000 1.156 306 N HN 0.214 nan 8.380 nan 0.000 0.489 307 A N 3.641 126.576 122.820 0.191 0.000 2.019 307 A HA -0.140 4.180 4.320 0.000 0.000 0.219 307 A C 1.484 179.105 177.584 0.062 0.000 1.164 307 A CA 1.276 53.385 52.037 0.120 0.000 0.644 307 A CB -0.026 19.041 19.000 0.112 0.000 0.805 307 A HN 0.646 nan 8.150 nan 0.000 0.449 308 D N -1.332 119.132 120.400 0.107 0.000 2.162 308 D HA -0.129 4.511 4.640 0.000 0.000 0.203 308 D C 1.660 178.038 176.300 0.130 0.000 0.967 308 D CA 0.664 54.718 54.000 0.089 0.000 0.840 308 D CB -0.498 40.362 40.800 0.100 0.000 0.972 308 D HN 0.761 nan 8.370 nan 0.000 0.482 309 W N 1.797 123.105 121.300 0.012 0.000 2.332 309 W HA -0.231 4.429 4.660 0.000 0.000 0.321 309 W C 1.678 178.201 176.519 0.007 0.000 1.219 309 W CA 1.051 58.409 57.345 0.022 0.000 1.277 309 W CB -0.272 29.213 29.460 0.043 0.000 1.161 309 W HN -0.192 nan 8.180 nan 0.000 0.476 310 V N 1.419 121.298 119.914 -0.058 0.000 2.295 310 V HA -0.330 3.790 4.120 0.000 0.000 0.246 310 V C 2.336 178.262 176.094 -0.279 0.000 1.049 310 V CA 2.596 64.753 62.300 -0.238 0.000 1.024 310 V CB -1.500 30.208 31.823 -0.192 0.000 0.648 310 V HN 0.204 nan 8.190 nan 0.000 0.447 311 T N -0.599 113.835 114.554 -0.201 0.000 2.803 311 T HA -0.202 4.148 4.350 0.000 0.000 0.269 311 T C 1.929 176.515 174.700 -0.190 0.000 1.052 311 T CA 1.386 63.371 62.100 -0.191 0.000 1.136 311 T CB -0.173 68.619 68.868 -0.126 0.000 0.864 311 T HN 0.467 nan 8.240 nan 0.000 0.467 312 K N 0.601 120.888 120.400 -0.189 0.000 2.031 312 K HA -0.031 4.289 4.320 0.000 0.000 0.205 312 K C 2.688 179.129 176.600 -0.265 0.000 1.049 312 K CA 0.831 57.005 56.287 -0.189 0.000 0.939 312 K CB -0.081 32.334 32.500 -0.142 0.000 0.717 312 K HN 0.279 nan 8.250 nan 0.000 0.438 313 Q N 0.835 120.389 119.800 -0.410 0.000 2.112 313 Q HA -0.202 4.139 4.340 0.000 0.000 0.206 313 Q C 2.252 178.069 176.000 -0.305 0.000 0.987 313 Q CA 1.215 56.802 55.803 -0.360 0.000 0.858 313 Q CB -0.425 28.053 28.738 -0.433 0.000 0.905 313 Q HN 0.233 nan 8.270 nan 0.000 0.420 314 L N 1.515 122.550 121.223 -0.313 0.000 2.027 314 L HA -0.131 4.209 4.340 0.000 0.000 0.206 314 L C 1.632 178.332 176.870 -0.283 0.000 1.074 314 L CA 1.515 56.157 54.840 -0.330 0.000 0.745 314 L CB -0.488 41.391 42.059 -0.299 0.000 0.898 314 L HN 0.098 nan 8.230 nan 0.000 0.433 315 N N -0.215 118.355 118.700 -0.217 0.000 2.443 315 N HA -0.156 4.584 4.740 0.000 0.000 0.184 315 N C 1.623 177.050 175.510 -0.138 0.000 1.037 315 N CA 0.743 53.699 53.050 -0.157 0.000 0.896 315 N CB -0.138 38.278 38.487 -0.119 0.000 0.959 315 N HN 0.485 nan 8.380 nan 0.000 0.442 316 E N 0.747 120.844 120.200 -0.171 0.000 2.015 316 E HA -0.022 4.328 4.350 0.000 0.000 0.191 316 E C 0.658 177.165 176.600 -0.156 0.000 0.991 316 E CA 0.162 56.489 56.400 -0.123 0.000 0.802 316 E CB -0.155 29.501 29.700 -0.074 0.000 0.759 316 E HN 0.334 nan 8.360 nan 0.000 0.447 317 I N 2.903 123.251 120.570 -0.370 0.000 2.989 317 I HA -0.195 3.975 4.170 0.000 0.000 0.311 317 I C 0.658 176.734 176.117 -0.068 0.000 1.221 317 I CA 0.452 61.514 61.300 -0.396 0.000 1.449 317 I CB -0.223 37.433 38.000 -0.573 0.000 1.325 317 I HN 0.013 nan 8.210 nan 0.000 0.557 318 N N 4.602 123.290 118.700 -0.020 0.000 2.292 318 N HA 0.143 4.883 4.740 0.000 0.000 0.303 318 N C 0.199 175.625 175.510 -0.141 0.000 1.140 318 N CA -0.603 52.438 53.050 -0.014 0.000 0.788 318 N CB 1.051 39.535 38.487 -0.006 0.000 1.361 318 N HN 0.436 nan 8.380 nan 0.000 0.489 319 Y N 1.485 121.534 120.300 -0.419 0.000 2.421 319 Y HA 0.045 4.595 4.550 0.000 0.000 0.292 319 Y C 1.067 176.779 175.900 -0.313 0.000 1.136 319 Y CA 1.498 59.185 58.100 -0.688 0.000 1.255 319 Y CB 0.328 38.426 38.460 -0.603 0.000 0.991 319 Y HN 0.562 nan 8.280 nan 0.000 0.552 320 E N -0.073 119.976 120.200 -0.253 0.000 2.511 320 E HA -0.097 4.253 4.350 0.000 0.000 0.196 320 E C 0.856 177.326 176.600 -0.216 0.000 1.066 320 E CA 0.560 56.813 56.400 -0.244 0.000 0.871 320 E CB -0.135 29.496 29.700 -0.115 0.000 0.863 320 E HN 0.616 nan 8.360 nan 0.000 0.520 321 D N -0.171 120.095 120.400 -0.222 0.000 2.347 321 D HA -0.065 4.575 4.640 0.000 0.000 0.215 321 D C 1.155 177.193 176.300 -0.436 0.000 0.976 321 D CA 0.787 54.640 54.000 -0.244 0.000 0.884 321 D CB 0.151 40.870 40.800 -0.134 0.000 0.915 321 D HN 0.383 nan 8.370 nan 0.000 0.526 322 H N -0.974 117.986 119.070 -0.184 0.000 3.360 322 H HA 0.152 4.708 4.556 0.000 0.000 0.262 322 H C 1.645 176.850 175.328 -0.204 0.000 1.149 322 H CA -0.136 55.827 56.048 -0.142 0.000 1.181 322 H CB 1.006 30.694 29.762 -0.123 0.000 1.564 322 H HN 0.045 nan 8.280 nan 0.000 0.565 323 K N 1.341 121.602 120.400 -0.231 0.000 2.107 323 K HA -0.203 4.117 4.320 0.000 0.000 0.211 323 K C 2.018 178.561 176.600 -0.094 0.000 1.049 323 K CA 1.492 57.639 56.287 -0.233 0.000 0.927 323 K CB -0.008 32.350 32.500 -0.236 0.000 0.714 323 K HN 0.049 nan 8.250 nan 0.000 0.452 324 L N 1.532 122.721 121.223 -0.058 0.000 1.932 324 L HA -0.159 4.181 4.340 0.000 0.000 0.217 324 L C 0.071 176.955 176.870 0.024 0.000 1.077 324 L CA 1.920 56.752 54.840 -0.014 0.000 0.765 324 L CB -0.448 41.606 42.059 -0.009 0.000 0.888 324 L HN 0.001 nan 8.230 nan 0.000 0.433 325 K N 0.402 120.845 120.400 0.071 0.000 2.231 325 K HA 0.217 4.537 4.320 0.000 0.000 0.255 325 K C 0.339 177.002 176.600 0.106 0.000 1.108 325 K CA 0.620 56.979 56.287 0.119 0.000 0.997 325 K CB 0.076 32.721 32.500 0.241 0.000 1.549 325 K HN 0.402 nan 8.250 nan 0.000 0.419 326 S N 0.024 115.755 115.700 0.051 0.000 2.552 326 S HA 0.152 4.622 4.470 0.000 0.000 0.246 326 S C 0.823 175.437 174.600 0.024 0.000 1.019 326 S CA -0.822 57.394 58.200 0.027 0.000 1.045 326 S CB 0.473 63.672 63.200 -0.003 0.000 0.784 326 S HN 0.498 nan 8.310 nan 0.000 0.453 327 G N 0.746 109.560 108.800 0.024 0.000 2.588 327 G HA2 0.456 4.416 3.960 0.000 0.000 0.278 327 G HA3 0.456 4.416 3.960 0.000 0.000 0.278 327 G C -0.461 174.465 174.900 0.043 0.000 1.307 327 G CA -0.528 44.584 45.100 0.020 0.000 1.016 327 G HN 0.338 nan 8.290 nan 0.000 0.503 328 T N 0.924 115.523 114.554 0.075 0.000 3.401 328 T HA 0.170 4.520 4.350 0.000 0.000 0.341 328 T C 0.148 174.969 174.700 0.202 0.000 1.674 328 T CA -0.520 61.676 62.100 0.161 0.000 1.600 328 T CB 0.014 68.971 68.868 0.148 0.000 0.974 328 T HN 0.433 nan 8.240 nan 0.000 0.672 329 N N 1.633 120.435 118.700 0.171 0.000 3.034 329 N HA 0.094 4.834 4.740 0.000 0.000 0.265 329 N C 1.161 176.656 175.510 -0.026 0.000 1.166 329 N CA -0.145 52.941 53.050 0.059 0.000 1.081 329 N CB 0.477 38.939 38.487 -0.043 0.000 1.378 329 N HN 0.224 nan 8.380 nan 0.000 0.520 330 T N 0.963 115.495 114.554 -0.037 0.000 2.833 330 T HA -0.152 4.198 4.350 0.000 0.000 0.269 330 T C 1.690 176.195 174.700 -0.324 0.000 1.054 330 T CA 1.080 62.979 62.100 -0.336 0.000 1.135 330 T CB 0.185 68.993 68.868 -0.100 0.000 0.869 330 T HN 0.513 nan 8.240 nan 0.000 0.466 331 K N 1.257 121.530 120.400 -0.212 0.000 2.001 331 K HA -0.172 4.148 4.320 0.000 0.000 0.214 331 K C 2.260 178.764 176.600 -0.161 0.000 1.050 331 K CA 1.523 57.700 56.287 -0.184 0.000 0.934 331 K CB -0.095 32.314 32.500 -0.152 0.000 0.718 331 K HN 0.182 nan 8.250 nan 0.000 0.443 332 K N -0.119 120.203 120.400 -0.131 0.000 2.113 332 K HA -0.186 4.134 4.320 0.000 0.000 0.208 332 K C 2.128 178.675 176.600 -0.089 0.000 1.047 332 K CA 1.399 57.641 56.287 -0.075 0.000 0.928 332 K CB -0.211 32.275 32.500 -0.023 0.000 0.716 332 K HN 0.299 nan 8.250 nan 0.000 0.446 333 A N 1.186 123.872 122.820 -0.223 0.000 1.933 333 A HA -0.128 4.192 4.320 0.000 0.000 0.218 333 A C 2.035 179.534 177.584 -0.142 0.000 1.175 333 A CA 1.221 53.102 52.037 -0.260 0.000 0.628 333 A CB -0.458 18.012 19.000 -0.882 0.000 0.814 333 A HN 0.170 nan 8.150 nan 0.000 0.444 334 L N -1.332 119.794 121.223 -0.162 0.000 2.240 334 L HA -0.135 4.205 4.340 0.000 0.000 0.211 334 L C 2.713 179.560 176.870 -0.037 0.000 1.106 334 L CA 1.019 55.808 54.840 -0.086 0.000 0.793 334 L CB -0.582 41.417 42.059 -0.098 0.000 0.927 334 L HN 0.499 nan 8.230 nan 0.000 0.446 335 Q N -0.023 119.751 119.800 -0.044 0.000 2.170 335 Q HA -0.166 4.174 4.340 0.000 0.000 0.203 335 Q C 2.426 178.468 176.000 0.069 0.000 0.976 335 Q CA 1.497 57.305 55.803 0.007 0.000 0.858 335 Q CB -0.122 28.598 28.738 -0.030 0.000 0.907 335 Q HN 0.533 nan 8.270 nan 0.000 0.433 336 A N 0.067 122.917 122.820 0.049 0.000 1.917 336 A HA -0.186 4.134 4.320 0.000 0.000 0.219 336 A C 2.225 179.852 177.584 0.073 0.000 1.182 336 A CA 1.663 53.746 52.037 0.078 0.000 0.633 336 A CB -0.725 18.336 19.000 0.102 0.000 0.819 336 A HN 0.251 nan 8.150 nan 0.000 0.448 337 V N -1.782 118.153 119.914 0.035 0.000 2.515 337 V HA -0.232 3.888 4.120 0.000 0.000 0.250 337 V C 2.306 178.343 176.094 -0.094 0.000 1.058 337 V CA 1.804 64.063 62.300 -0.067 0.000 1.064 337 V CB -1.045 30.670 31.823 -0.181 0.000 0.675 337 V HN 0.715 nan 8.190 nan 0.000 0.461 338 Y N 0.695 120.913 120.300 -0.137 0.000 2.509 338 Y HA -0.122 4.428 4.550 0.000 0.000 0.293 338 Y C 2.544 178.371 175.900 -0.121 0.000 1.133 338 Y CA 1.267 59.279 58.100 -0.147 0.000 1.283 338 Y CB 0.064 38.444 38.460 -0.134 0.000 1.001 338 Y HN 0.189 nan 8.280 nan 0.000 0.555 339 S N 0.062 115.751 115.700 -0.019 0.000 2.362 339 S HA -0.136 4.334 4.470 0.000 0.000 0.221 339 S C 1.780 176.333 174.600 -0.078 0.000 1.032 339 S CA 1.521 59.690 58.200 -0.052 0.000 0.973 339 S CB -0.227 62.993 63.200 0.034 0.000 0.849 339 S HN 0.496 nan 8.310 nan 0.000 0.465 340 M N 0.498 120.097 119.600 -0.002 0.000 2.557 340 M HA 0.087 4.568 4.480 0.000 0.000 0.259 340 M C 1.751 178.103 176.300 0.087 0.000 1.086 340 M CA 0.944 56.299 55.300 0.093 0.000 1.096 340 M CB -0.321 32.420 32.600 0.235 0.000 1.424 340 M HN 0.303 nan 8.290 nan 0.000 0.488 341 M N -1.021 118.530 119.600 -0.082 0.000 2.545 341 M HA 0.051 4.531 4.480 0.000 0.000 0.264 341 M C 1.163 177.294 176.300 -0.280 0.000 1.155 341 M CA 0.123 55.364 55.300 -0.097 0.000 1.162 341 M CB 0.096 32.539 32.600 -0.262 0.000 1.330 341 M HN 0.141 nan 8.290 nan 0.000 0.479 342 S N 0.560 115.943 115.700 -0.530 0.000 2.612 342 S HA 0.222 4.692 4.470 0.000 0.000 0.253 342 S C -0.649 173.735 174.600 -0.360 0.000 1.346 342 S CA -0.475 57.252 58.200 -0.790 0.000 0.976 342 S CB 0.061 62.824 63.200 -0.728 0.000 0.949 342 S HN 0.446 nan 8.310 nan 0.000 0.584 343 W N -2.081 119.150 121.300 -0.115 0.000 3.042 343 W HA 0.739 5.399 4.660 0.000 0.000 0.342 343 W C -3.031 173.444 176.519 -0.073 0.000 1.240 343 W CA -2.311 54.983 57.345 -0.084 0.000 1.166 343 W CB -1.433 27.958 29.460 -0.115 0.000 1.469 343 W HN 0.505 nan 8.180 nan 0.000 0.579 348 P HA 0.563 nan 4.420 nan 0.000 0.276 348 P C -2.540 174.373 177.300 -0.645 0.000 1.235 348 P CA -0.719 61.617 63.100 -1.273 0.000 0.772 348 P CB 0.069 30.898 31.700 -1.452 0.000 0.871 349 P HA 0.157 nan 4.420 nan 0.000 0.288 349 P C -0.631 176.690 177.300 0.035 0.000 1.291 349 P CA -0.246 62.787 63.100 -0.112 0.000 0.766 349 P CB 0.309 32.021 31.700 0.020 0.000 1.242 350 E N -0.390 119.850 120.200 0.067 0.000 2.081 350 E HA 0.470 4.820 4.350 0.000 0.000 0.276 350 E C 0.339 176.987 176.600 0.080 0.000 0.950 350 E CA -0.236 56.211 56.400 0.078 0.000 0.776 350 E CB -0.556 29.163 29.700 0.030 0.000 1.094 350 E HN 0.688 nan 8.360 nan 0.000 0.402 351 G N 4.938 113.773 108.800 0.059 0.000 2.140 351 G HA2 -0.219 3.742 3.960 0.000 0.000 0.211 351 G HA3 -0.219 3.742 3.960 0.000 0.000 0.211 351 G C 0.536 175.438 174.900 0.003 0.000 1.013 351 G CA 0.194 45.279 45.100 -0.024 0.000 0.705 351 G HN 0.663 nan 8.290 nan 0.000 0.508 352 W N 1.330 122.591 121.300 -0.065 0.000 2.444 352 W HA 0.013 4.673 4.660 0.000 0.000 0.308 352 W C 1.165 177.672 176.519 -0.019 0.000 1.183 352 W CA 1.361 58.702 57.345 -0.007 0.000 1.340 352 W CB -1.056 28.353 29.460 -0.085 0.000 1.138 352 W HN 0.502 nan 8.180 nan 0.000 0.510 353 N N 1.376 119.193 118.700 -1.471 0.000 2.466 353 N HA -0.065 4.675 4.740 0.000 0.000 0.211 353 N C 1.000 175.996 175.510 -0.857 0.000 1.256 353 N CA 0.332 52.550 53.050 -1.386 0.000 0.840 353 N CB -0.561 36.769 38.487 -1.928 0.000 1.079 353 N HN 0.437 nan 8.380 nan 0.000 0.466 354 R N -1.546 118.612 120.500 -0.570 0.000 2.539 354 R HA 0.188 4.528 4.340 0.000 0.000 0.342 354 R C -0.700 175.448 176.300 -0.253 0.000 0.941 354 R CA -0.082 55.772 56.100 -0.409 0.000 1.146 354 R CB 0.570 30.717 30.300 -0.256 0.000 1.541 354 R HN 0.017 nan 8.270 nan 0.000 0.525 355 T N 0.913 115.349 114.554 -0.197 0.000 2.767 355 T HA 0.301 4.652 4.350 0.000 0.000 0.284 355 T C -0.747 173.940 174.700 -0.023 0.000 0.973 355 T CA -0.406 61.638 62.100 -0.093 0.000 0.996 355 T CB 1.464 70.292 68.868 -0.067 0.000 0.927 355 T HN 0.106 nan 8.240 nan 0.000 0.456 356 R N 3.006 123.522 120.500 0.025 0.000 2.265 356 R HA 0.213 4.553 4.340 0.000 0.000 0.314 356 R C -0.465 175.860 176.300 0.041 0.000 1.053 356 R CA -0.429 55.782 56.100 0.186 0.000 0.931 356 R CB 0.352 30.767 30.300 0.191 0.000 1.024 356 R HN 0.697 nan 8.270 nan 0.000 0.457 357 H N 2.914 122.144 119.070 0.266 0.000 2.457 357 H HA 0.377 4.933 4.556 0.000 0.000 0.335 357 H C -0.885 174.647 175.328 0.339 0.000 1.115 357 H CA -0.818 55.438 56.048 0.346 0.000 1.219 357 H CB 2.172 32.168 29.762 0.389 0.000 1.471 357 H HN 0.230 nan 8.280 nan 0.000 0.491 358 V N 5.560 125.773 119.914 0.497 0.000 2.532 358 V HA 0.195 4.315 4.120 0.000 0.000 0.294 358 V C -0.173 176.257 176.094 0.559 0.000 1.036 358 V CA -0.483 62.090 62.300 0.455 0.000 0.876 358 V CB 1.663 33.706 31.823 0.366 0.000 1.012 358 V HN 0.585 nan 8.190 nan 0.000 0.432 359 I N 5.727 126.610 120.570 0.521 0.000 2.336 359 I HA 0.471 4.642 4.170 0.000 0.000 0.292 359 I C -0.552 175.882 176.117 0.527 0.000 0.991 359 I CA -0.544 61.054 61.300 0.496 0.000 1.227 359 I CB 1.575 39.771 38.000 0.327 0.000 1.366 359 I HN 0.332 nan 8.210 nan 0.000 0.466 360 I N 7.301 128.166 120.570 0.491 0.000 2.359 360 I HA 0.281 4.451 4.170 0.000 0.000 0.284 360 I C -0.468 175.885 176.117 0.392 0.000 1.018 360 I CA -0.536 61.062 61.300 0.497 0.000 1.173 360 I CB 1.317 39.550 38.000 0.388 0.000 1.326 360 I HN 0.353 nan 8.210 nan 0.000 0.462 361 L N 8.001 129.476 121.223 0.419 0.000 2.307 361 L HA 0.538 4.879 4.340 0.000 0.000 0.284 361 L C -0.346 176.734 176.870 0.350 0.000 1.023 361 L CA -0.140 54.902 54.840 0.337 0.000 0.810 361 L CB 1.436 43.666 42.059 0.286 0.000 1.231 361 L HN 0.455 nan 8.230 nan 0.000 0.423 362 M N 5.289 125.042 119.600 0.254 0.000 2.386 362 M HA 0.264 4.744 4.480 0.000 0.000 0.245 362 M C -0.223 176.167 176.300 0.149 0.000 0.982 362 M CA -0.112 55.303 55.300 0.192 0.000 0.860 362 M CB 1.012 33.635 32.600 0.037 0.000 1.371 362 M HN 0.747 nan 8.290 nan 0.000 0.425 363 T N -0.971 113.700 114.554 0.195 0.000 2.841 363 T HA 0.389 4.739 4.350 0.000 0.000 0.276 363 T C 0.060 174.845 174.700 0.142 0.000 1.003 363 T CA -0.441 61.760 62.100 0.169 0.000 0.995 363 T CB 1.307 70.329 68.868 0.256 0.000 1.260 363 T HN 0.663 nan 8.240 nan 0.000 0.581 364 D N -1.127 119.346 120.400 0.122 0.000 2.440 364 D HA 0.268 4.908 4.640 0.000 0.000 0.216 364 D C 1.326 177.686 176.300 0.099 0.000 1.150 364 D CA 0.561 54.623 54.000 0.103 0.000 0.832 364 D CB -0.396 40.451 40.800 0.079 0.000 0.992 364 D HN 1.006 nan 8.370 nan 0.000 0.502 365 G N 0.699 109.575 108.800 0.128 0.000 2.168 365 G HA2 -0.298 3.662 3.960 0.000 0.000 0.263 365 G HA3 -0.298 3.662 3.960 0.000 0.000 0.263 365 G C 0.356 175.297 174.900 0.070 0.000 0.977 365 G CA 0.419 45.592 45.100 0.123 0.000 0.659 365 G HN 0.446 nan 8.290 nan 0.000 0.533 366 L N 2.242 123.500 121.223 0.058 0.000 2.865 366 L HA 0.297 4.637 4.340 0.000 0.000 0.233 366 L C 1.158 178.026 176.870 -0.003 0.000 1.320 366 L CA -0.826 54.003 54.840 -0.019 0.000 1.225 366 L CB -0.639 41.425 42.059 0.009 0.000 1.542 366 L HN 0.516 nan 8.230 nan 0.000 0.432 367 H N -0.810 118.303 119.070 0.071 0.000 2.815 367 H HA 0.170 4.726 4.556 0.000 0.000 0.350 367 H C 0.563 175.916 175.328 0.042 0.000 1.080 367 H CA -0.374 55.716 56.048 0.069 0.000 1.433 367 H CB 0.457 30.253 29.762 0.056 0.000 1.432 367 H HN 0.364 nan 8.280 nan 0.000 0.592 368 N N 2.219 121.014 118.700 0.158 0.000 2.081 368 N HA 0.129 4.869 4.740 0.000 0.000 0.230 368 N C -0.853 174.710 175.510 0.089 0.000 1.351 368 N CA -0.286 52.816 53.050 0.085 0.000 0.840 368 N CB 0.464 38.969 38.487 0.030 0.000 1.189 368 N HN 0.606 nan 8.380 nan 0.000 0.503 369 M N -1.031 118.631 119.600 0.104 0.000 2.531 369 M HA 0.571 5.051 4.480 0.000 0.000 0.286 369 M C 0.424 176.737 176.300 0.021 0.000 1.232 369 M CA -0.227 55.098 55.300 0.042 0.000 0.877 369 M CB 2.775 35.372 32.600 -0.005 0.000 1.726 369 M HN 0.099 nan 8.290 nan 0.000 0.463 370 G N 0.588 109.380 108.800 -0.012 0.000 2.299 370 G HA2 0.035 3.995 3.960 0.000 0.000 0.237 370 G HA3 0.035 3.995 3.960 0.000 0.000 0.237 370 G C 0.492 175.356 174.900 -0.061 0.000 1.027 370 G CA 0.041 45.112 45.100 -0.047 0.000 0.619 370 G HN 1.748 nan 8.290 nan 0.000 0.513 371 G N -0.153 108.622 108.800 -0.041 0.000 2.451 371 G HA2 0.126 4.087 3.960 0.000 0.000 0.208 371 G HA3 0.126 4.087 3.960 0.000 0.000 0.208 371 G C -0.801 173.972 174.900 -0.212 0.000 1.248 371 G CA 0.538 45.604 45.100 -0.057 0.000 0.989 371 G HN 1.045 nan 8.290 nan 0.000 0.559 372 D N 1.787 122.081 120.400 -0.177 0.000 2.352 372 D HA 0.430 5.070 4.640 0.000 0.000 0.245 372 D C -0.887 175.256 176.300 -0.262 0.000 1.224 372 D CA -1.409 52.444 54.000 -0.244 0.000 0.879 372 D CB 1.336 42.079 40.800 -0.095 0.000 1.057 372 D HN -0.012 nan 8.370 nan 0.000 0.491 373 P HA -0.125 nan 4.420 nan 0.000 0.218 373 P C 1.768 178.978 177.300 -0.149 0.000 1.146 373 P CA 0.655 63.611 63.100 -0.239 0.000 0.813 373 P CB 0.389 31.956 31.700 -0.221 0.000 0.778 374 I N -0.374 120.124 120.570 -0.121 0.000 2.248 374 I HA -0.266 3.904 4.170 0.000 0.000 0.248 374 I C 2.031 178.096 176.117 -0.088 0.000 1.107 374 I CA 2.164 63.415 61.300 -0.080 0.000 1.373 374 I CB -0.886 37.081 38.000 -0.055 0.000 1.055 374 I HN 0.136 nan 8.210 nan 0.000 0.418 375 T N -2.177 112.316 114.554 -0.102 0.000 3.025 375 T HA -0.074 4.276 4.350 0.000 0.000 0.270 375 T C 1.566 176.184 174.700 -0.135 0.000 1.126 375 T CA 0.897 62.933 62.100 -0.107 0.000 1.105 375 T CB -0.531 68.274 68.868 -0.105 0.000 0.884 375 T HN 0.181 nan 8.240 nan 0.000 0.522 376 V N 0.864 120.694 119.914 -0.140 0.000 2.599 376 V HA 0.030 4.150 4.120 0.000 0.000 0.245 376 V C 2.607 178.629 176.094 -0.120 0.000 1.046 376 V CA 0.461 62.661 62.300 -0.166 0.000 1.065 376 V CB -0.395 31.338 31.823 -0.150 0.000 0.703 376 V HN 0.366 nan 8.190 nan 0.000 0.464 377 I N 0.879 121.401 120.570 -0.081 0.000 2.099 377 I HA -0.225 3.945 4.170 0.000 0.000 0.239 377 I C 2.270 178.360 176.117 -0.046 0.000 1.066 377 I CA 1.792 63.063 61.300 -0.049 0.000 1.324 377 I CB -1.347 36.629 38.000 -0.041 0.000 1.037 377 I HN 0.327 nan 8.210 nan 0.000 0.401 378 D N 0.574 120.939 120.400 -0.059 0.000 2.265 378 D HA -0.180 4.460 4.640 0.000 0.000 0.208 378 D C 2.142 178.407 176.300 -0.059 0.000 0.977 378 D CA 0.860 54.828 54.000 -0.053 0.000 0.871 378 D CB -0.118 40.648 40.800 -0.057 0.000 0.925 378 D HN 0.495 nan 8.370 nan 0.000 0.485 379 E N -0.078 120.060 120.200 -0.103 0.000 2.046 379 E HA -0.035 4.315 4.350 0.000 0.000 0.190 379 E C 2.311 178.913 176.600 0.003 0.000 0.982 379 E CA 0.263 56.571 56.400 -0.154 0.000 0.800 379 E CB 0.076 29.532 29.700 -0.406 0.000 0.756 379 E HN 0.267 nan 8.360 nan 0.000 0.449 380 I N 0.868 121.469 120.570 0.053 0.000 2.226 380 I HA -0.277 3.893 4.170 0.000 0.000 0.245 380 I C 2.471 178.629 176.117 0.069 0.000 1.100 380 I CA 1.044 62.426 61.300 0.137 0.000 1.374 380 I CB -0.188 37.848 38.000 0.059 0.000 1.057 380 I HN 0.044 nan 8.210 nan 0.000 0.413 381 R N 0.595 121.117 120.500 0.036 0.000 2.105 381 R HA -0.193 4.148 4.340 0.000 0.000 0.239 381 R C 1.598 177.932 176.300 0.056 0.000 1.135 381 R CA 1.702 57.823 56.100 0.036 0.000 0.967 381 R CB -0.340 29.964 30.300 0.006 0.000 0.861 381 R HN 0.374 nan 8.270 nan 0.000 0.442 382 D N 0.161 120.592 120.400 0.052 0.000 2.323 382 D HA -0.076 4.564 4.640 0.000 0.000 0.209 382 D C 1.582 177.965 176.300 0.137 0.000 0.973 382 D CA 0.438 54.478 54.000 0.066 0.000 0.874 382 D CB 0.036 40.858 40.800 0.035 0.000 0.930 382 D HN 0.068 nan 8.370 nan 0.000 0.521 383 L N -0.110 121.191 121.223 0.131 0.000 2.240 383 L HA 0.086 4.427 4.340 0.000 0.000 0.211 383 L C 1.331 178.318 176.870 0.195 0.000 1.106 383 L CA 1.272 56.162 54.840 0.083 0.000 0.793 383 L CB 0.021 42.046 42.059 -0.057 0.000 0.927 383 L HN -0.033 nan 8.230 nan 0.000 0.446 384 L N -1.732 119.627 121.223 0.226 0.000 2.667 384 L HA 0.114 4.454 4.340 0.000 0.000 0.232 384 L C 0.113 177.275 176.870 0.487 0.000 1.138 384 L CA -0.334 54.722 54.840 0.359 0.000 0.921 384 L CB -0.287 41.873 42.059 0.169 0.000 1.180 384 L HN 0.184 nan 8.230 nan 0.000 0.487 385 Y N 1.102 121.560 120.300 0.263 0.000 3.389 385 Y HA -0.258 4.292 4.550 0.000 0.000 0.213 385 Y C 0.047 176.051 175.900 0.173 0.000 1.272 385 Y CA -0.008 58.228 58.100 0.228 0.000 1.444 385 Y CB -1.490 37.156 38.460 0.310 0.000 1.445 385 Y HN 0.148 nan 8.280 nan 0.000 0.583 386 I N 0.911 121.545 120.570 0.106 0.000 2.331 386 I HA 0.400 4.571 4.170 0.000 0.000 0.292 386 I C 1.292 177.394 176.117 -0.025 0.000 0.998 386 I CA 0.254 61.598 61.300 0.074 0.000 1.267 386 I CB 1.230 39.287 38.000 0.095 0.000 1.386 386 I HN 0.505 nan 8.210 nan 0.000 0.476 387 G N 5.081 113.865 108.800 -0.026 0.000 2.272 387 G HA2 -0.298 3.662 3.960 0.000 0.000 0.280 387 G HA3 -0.298 3.662 3.960 0.000 0.000 0.280 387 G C 0.333 175.164 174.900 -0.116 0.000 1.067 387 G CA 0.068 45.137 45.100 -0.052 0.000 0.902 387 G HN 0.750 nan 8.290 nan 0.000 0.500 388 K N -0.417 119.855 120.400 -0.213 0.000 2.676 388 K HA 0.347 4.667 4.320 0.000 0.000 0.205 388 K C -0.460 176.001 176.600 -0.232 0.000 1.084 388 K CA -0.194 55.889 56.287 -0.342 0.000 1.057 388 K CB 0.911 32.951 32.500 -0.767 0.000 0.791 388 K HN 0.276 nan 8.250 nan 0.000 0.484 389 D N -0.283 120.074 120.400 -0.072 0.000 2.871 389 D HA 0.145 4.786 4.640 0.000 0.000 0.209 389 D C 0.048 176.365 176.300 0.028 0.000 1.292 389 D CA -0.446 53.572 54.000 0.030 0.000 0.869 389 D CB 1.112 42.002 40.800 0.149 0.000 1.663 389 D HN -0.150 nan 8.370 nan 0.000 0.557 390 R N 2.236 122.750 120.500 0.023 0.000 2.323 390 R HA 0.052 4.392 4.340 0.000 0.000 0.198 390 R C 1.261 177.575 176.300 0.024 0.000 0.988 390 R CA 0.409 56.517 56.100 0.014 0.000 1.041 390 R CB 0.374 30.676 30.300 0.003 0.000 0.926 390 R HN 0.264 nan 8.270 nan 0.000 0.476 391 K N 0.185 120.610 120.400 0.041 0.000 2.355 391 K HA 0.029 4.349 4.320 0.000 0.000 0.198 391 K C -0.178 176.453 176.600 0.052 0.000 1.039 391 K CA 0.076 56.389 56.287 0.043 0.000 1.075 391 K CB 0.512 33.040 32.500 0.047 0.000 0.870 391 K HN -0.084 nan 8.250 nan 0.000 0.540 392 N N 0.156 118.897 118.700 0.068 0.000 2.542 392 N HA 0.174 4.914 4.740 0.000 0.000 0.288 392 N C -2.677 172.882 175.510 0.081 0.000 1.115 392 N CA -1.560 51.539 53.050 0.083 0.000 0.924 392 N CB 2.074 40.635 38.487 0.123 0.000 1.526 392 N HN -0.236 nan 8.380 nan 0.000 0.515 393 P HA 0.119 nan 4.420 nan 0.000 0.214 393 P C -0.285 177.055 177.300 0.067 0.000 1.162 393 P CA 0.841 63.961 63.100 0.033 0.000 0.871 393 P CB 0.298 31.997 31.700 -0.002 0.000 0.783 394 R N -1.503 119.039 120.500 0.070 0.000 3.878 394 R HA -0.165 4.175 4.340 0.000 0.000 0.330 394 R C 0.928 177.259 176.300 0.052 0.000 1.186 394 R CA 0.419 56.607 56.100 0.146 0.000 0.885 394 R CB -1.729 28.783 30.300 0.352 0.000 1.377 394 R HN 0.278 nan 8.270 nan 0.000 0.523 395 E N 0.510 120.691 120.200 -0.033 0.000 2.268 395 E HA -0.140 4.210 4.350 0.000 0.000 0.195 395 E C 0.827 177.380 176.600 -0.079 0.000 0.995 395 E CA 1.452 57.830 56.400 -0.037 0.000 0.836 395 E CB 0.023 29.696 29.700 -0.045 0.000 0.763 395 E HN 0.495 nan 8.360 nan 0.000 0.491 396 D N -0.307 119.961 120.400 -0.221 0.000 2.264 396 D HA -0.139 4.502 4.640 0.000 0.000 0.208 396 D C 0.972 177.169 176.300 -0.172 0.000 0.966 396 D CA 0.700 54.542 54.000 -0.263 0.000 0.864 396 D CB -0.238 40.295 40.800 -0.444 0.000 0.933 396 D HN 0.255 nan 8.370 nan 0.000 0.499 397 Y N -0.186 120.169 120.300 0.093 0.000 2.529 397 Y HA 0.326 4.876 4.550 0.000 0.000 0.290 397 Y C 0.214 176.234 175.900 0.200 0.000 1.177 397 Y CA -0.258 57.930 58.100 0.146 0.000 1.305 397 Y CB 0.017 38.567 38.460 0.151 0.000 1.047 397 Y HN -0.071 nan 8.280 nan 0.000 0.522 398 L N 0.513 121.879 121.223 0.237 0.000 2.470 398 L HA 0.536 4.876 4.340 0.000 0.000 0.268 398 L C -1.953 174.989 176.870 0.119 0.000 0.964 398 L CA -0.783 54.182 54.840 0.208 0.000 0.839 398 L CB 1.825 43.975 42.059 0.152 0.000 1.276 398 L HN -0.194 nan 8.230 nan 0.000 0.403 399 D N 3.640 124.135 120.400 0.158 0.000 2.629 399 D HA 0.623 5.263 4.640 0.000 0.000 0.250 399 D C -1.094 175.250 176.300 0.074 0.000 1.126 399 D CA 0.034 54.074 54.000 0.066 0.000 0.852 399 D CB 2.669 43.564 40.800 0.158 0.000 1.335 399 D HN 0.257 nan 8.370 nan 0.000 0.518 400 V N 3.287 123.174 119.914 -0.045 0.000 2.378 400 V HA 0.366 4.486 4.120 0.000 0.000 0.288 400 V C -0.985 175.135 176.094 0.044 0.000 1.016 400 V CA -0.686 61.655 62.300 0.068 0.000 0.840 400 V CB 0.459 32.313 31.823 0.051 0.000 0.994 400 V HN 0.429 nan 8.190 nan 0.000 0.431 401 Y N 3.262 123.793 120.300 0.386 0.000 2.360 401 Y HA 0.692 5.242 4.550 0.000 0.000 0.337 401 Y C 0.055 176.132 175.900 0.294 0.000 1.039 401 Y CA -0.861 57.467 58.100 0.379 0.000 1.109 401 Y CB 2.111 40.922 38.460 0.586 0.000 1.201 401 Y HN 0.355 nan 8.280 nan 0.000 0.458 402 V N 4.600 124.675 119.914 0.269 0.000 2.531 402 V HA 0.397 4.517 4.120 0.000 0.000 0.301 402 V C -0.984 175.176 176.094 0.109 0.000 1.034 402 V CA -1.168 61.270 62.300 0.229 0.000 0.865 402 V CB 1.227 33.140 31.823 0.150 0.000 0.995 402 V HN 0.513 nan 8.190 nan 0.000 0.424 403 F N 2.320 122.431 119.950 0.268 0.000 2.426 403 F HA 0.683 5.210 4.527 0.000 0.000 0.348 403 F C 0.961 176.860 175.800 0.165 0.000 1.124 403 F CA -0.496 57.649 58.000 0.241 0.000 1.008 403 F CB 1.869 40.974 39.000 0.175 0.000 1.139 403 F HN 0.573 nan 8.300 nan 0.000 0.452 404 G N 2.308 111.282 108.800 0.291 0.000 2.320 404 G HA2 0.342 4.302 3.960 0.000 0.000 0.300 404 G HA3 0.342 4.302 3.960 0.000 0.000 0.300 404 G C 0.650 175.663 174.900 0.190 0.000 1.126 404 G CA -0.410 44.813 45.100 0.204 0.000 0.896 404 G HN 0.675 nan 8.290 nan 0.000 0.436 405 V N 3.013 123.011 119.914 0.140 0.000 2.282 405 V HA 0.286 4.407 4.120 0.000 0.000 0.249 405 V C 1.473 177.619 176.094 0.088 0.000 1.057 405 V CA 2.708 65.064 62.300 0.092 0.000 1.032 405 V CB -0.520 31.334 31.823 0.052 0.000 0.645 405 V HN 1.433 nan 8.190 nan 0.000 0.447 406 G N -2.266 106.602 108.800 0.113 0.000 2.347 406 G HA2 0.295 4.255 3.960 0.000 0.000 0.303 406 G HA3 0.295 4.255 3.960 0.000 0.000 0.303 406 G C -3.196 171.793 174.900 0.150 0.000 1.481 406 G CA -0.567 44.608 45.100 0.125 0.000 0.914 406 G HN 0.122 nan 8.290 nan 0.000 0.638 407 P HA 0.081 nan 4.420 nan 0.000 0.266 407 P C 0.597 177.973 177.300 0.126 0.000 1.126 407 P CA 0.962 64.186 63.100 0.206 0.000 0.751 407 P CB 0.127 31.950 31.700 0.205 0.000 0.719 408 L N -0.085 121.201 121.223 0.105 0.000 4.461 408 L HA -0.164 4.176 4.340 0.000 0.000 0.399 408 L C 0.160 177.069 176.870 0.066 0.000 0.913 408 L CA 0.517 55.401 54.840 0.073 0.000 1.652 408 L CB -1.777 40.321 42.059 0.065 0.000 1.831 408 L HN 0.146 nan 8.230 nan 0.000 0.559 409 V N 0.694 120.655 119.914 0.078 0.000 2.614 409 V HA 0.219 4.339 4.120 0.000 0.000 0.291 409 V C 1.044 177.163 176.094 0.041 0.000 1.049 409 V CA -0.200 62.142 62.300 0.070 0.000 1.038 409 V CB 1.439 33.316 31.823 0.090 0.000 0.980 409 V HN 0.330 nan 8.190 nan 0.000 0.481 410 N N 4.040 122.761 118.700 0.034 0.000 2.602 410 N HA 0.137 4.878 4.740 0.000 0.000 0.238 410 N C 0.955 176.476 175.510 0.017 0.000 1.084 410 N CA -0.046 53.013 53.050 0.015 0.000 0.952 410 N CB 1.082 39.569 38.487 -0.001 0.000 1.244 410 N HN 0.677 nan 8.380 nan 0.000 0.512 411 Q N 1.458 121.258 119.800 0.001 0.000 2.291 411 Q HA -0.049 4.291 4.340 0.000 0.000 0.205 411 Q C 1.513 177.507 176.000 -0.010 0.000 0.970 411 Q CA 0.958 56.754 55.803 -0.011 0.000 0.876 411 Q CB 0.445 29.157 28.738 -0.043 0.000 0.935 411 Q HN 0.483 nan 8.270 nan 0.000 0.455 412 V N 1.419 121.331 119.914 -0.003 0.000 2.427 412 V HA -0.204 3.916 4.120 0.000 0.000 0.248 412 V C 1.569 177.677 176.094 0.022 0.000 1.051 412 V CA 1.556 63.858 62.300 0.004 0.000 1.048 412 V CB -0.397 31.430 31.823 0.007 0.000 0.666 412 V HN 0.345 nan 8.190 nan 0.000 0.456 413 N N 0.549 119.271 118.700 0.038 0.000 2.290 413 N HA 0.040 4.780 4.740 0.000 0.000 0.179 413 N C 1.808 177.366 175.510 0.080 0.000 1.016 413 N CA 1.477 54.574 53.050 0.080 0.000 0.871 413 N CB -0.213 38.337 38.487 0.103 0.000 0.987 413 N HN 0.677 nan 8.380 nan 0.000 0.431 414 I N -1.522 119.086 120.570 0.064 0.000 3.001 414 I HA 0.029 4.199 4.170 0.000 0.000 0.268 414 I C 1.684 177.814 176.117 0.021 0.000 1.267 414 I CA 1.133 62.471 61.300 0.063 0.000 1.472 414 I CB -0.180 37.863 38.000 0.070 0.000 1.089 414 I HN -0.097 nan 8.210 nan 0.000 0.468 415 N N 2.140 120.840 118.700 0.001 0.000 2.251 415 N HA 0.029 4.769 4.740 0.000 0.000 0.181 415 N C 1.912 177.408 175.510 -0.023 0.000 1.019 415 N CA 1.310 54.342 53.050 -0.030 0.000 0.862 415 N CB -0.085 38.379 38.487 -0.039 0.000 0.992 415 N HN 0.380 nan 8.380 nan 0.000 0.429 416 A N 0.054 122.873 122.820 -0.001 0.000 2.172 416 A HA 0.082 4.402 4.320 0.000 0.000 0.216 416 A C 1.912 179.491 177.584 -0.008 0.000 1.154 416 A CA 0.608 52.643 52.037 -0.003 0.000 0.701 416 A CB -0.456 18.552 19.000 0.013 0.000 0.789 416 A HN 0.381 nan 8.150 nan 0.000 0.465 417 L N -1.256 119.969 121.223 0.004 0.000 2.221 417 L HA 0.190 4.530 4.340 0.000 0.000 0.202 417 L C 1.650 178.517 176.870 -0.005 0.000 1.074 417 L CA 0.257 55.101 54.840 0.008 0.000 0.795 417 L CB -0.547 41.536 42.059 0.041 0.000 0.960 417 L HN 0.365 nan 8.230 nan 0.000 0.458 418 A N 0.310 123.122 122.820 -0.013 0.000 2.466 418 A HA 0.220 4.540 4.320 0.000 0.000 0.238 418 A C 0.503 178.014 177.584 -0.123 0.000 1.074 418 A CA -0.029 51.985 52.037 -0.038 0.000 0.774 418 A CB 0.173 19.149 19.000 -0.041 0.000 1.015 418 A HN 0.199 nan 8.150 nan 0.000 0.498 419 S N 1.049 116.600 115.700 -0.248 0.000 2.576 419 S HA 0.257 4.727 4.470 0.000 0.000 0.276 419 S C 0.005 174.358 174.600 -0.411 0.000 1.339 419 S CA -0.223 57.738 58.200 -0.398 0.000 1.039 419 S CB 0.319 63.123 63.200 -0.661 0.000 0.902 419 S HN 0.492 nan 8.310 nan 0.000 0.516 420 K N 3.467 123.703 120.400 -0.274 0.000 2.419 420 K HA 0.336 4.656 4.320 0.000 0.000 0.244 420 K C -0.670 175.832 176.600 -0.165 0.000 1.045 420 K CA -0.182 55.994 56.287 -0.185 0.000 1.004 420 K CB 0.739 33.178 32.500 -0.100 0.000 1.376 420 K HN 0.447 nan 8.250 nan 0.000 0.460 421 K N 1.398 121.692 120.400 -0.176 0.000 2.244 421 K HA 0.166 4.486 4.320 0.000 0.000 0.260 421 K C -0.453 176.141 176.600 -0.009 0.000 0.951 421 K CA -0.890 55.345 56.287 -0.087 0.000 0.826 421 K CB 1.810 34.261 32.500 -0.082 0.000 1.108 421 K HN 0.360 nan 8.250 nan 0.000 0.433 422 D N 2.135 122.540 120.400 0.008 0.000 2.583 422 D HA -0.130 4.510 4.640 0.000 0.000 0.232 422 D C 0.512 176.832 176.300 0.032 0.000 1.128 422 D CA 1.286 55.302 54.000 0.028 0.000 0.859 422 D CB 0.309 41.136 40.800 0.046 0.000 1.169 422 D HN 0.645 nan 8.370 nan 0.000 0.481 423 N N 1.517 120.232 118.700 0.024 0.000 2.828 423 N HA -0.237 4.503 4.740 0.000 0.000 0.248 423 N C -1.180 174.358 175.510 0.048 0.000 1.044 423 N CA 1.469 54.535 53.050 0.026 0.000 0.851 423 N CB -0.544 37.959 38.487 0.027 0.000 1.136 423 N HN 0.642 nan 8.380 nan 0.000 0.572 424 E N -0.225 120.020 120.200 0.074 0.000 2.343 424 E HA 0.362 4.712 4.350 0.000 0.000 0.270 424 E C -0.787 175.909 176.600 0.160 0.000 0.895 424 E CA -0.700 55.777 56.400 0.128 0.000 0.767 424 E CB 2.006 31.823 29.700 0.196 0.000 1.248 424 E HN 0.185 nan 8.360 nan 0.000 0.440 425 Q N 1.978 121.869 119.800 0.151 0.000 2.331 425 Q HA 0.252 4.592 4.340 0.000 0.000 0.267 425 Q C -0.435 175.573 176.000 0.013 0.000 1.006 425 Q CA -0.359 55.477 55.803 0.056 0.000 0.818 425 Q CB 0.809 29.541 28.738 -0.010 0.000 1.276 425 Q HN 0.742 nan 8.270 nan 0.000 0.450 426 H N 2.080 121.010 119.070 -0.235 0.000 2.893 426 H HA 0.198 4.754 4.556 0.000 0.000 0.270 426 H C -0.428 174.632 175.328 -0.447 0.000 1.095 426 H CA 0.161 56.127 56.048 -0.135 0.000 1.186 426 H CB 1.809 31.442 29.762 -0.216 0.000 1.562 426 H HN 0.319 nan 8.280 nan 0.000 0.536 427 V N 0.896 120.323 119.914 -0.811 0.000 2.588 427 V HA 0.467 4.587 4.120 0.000 0.000 0.304 427 V C -1.795 173.689 176.094 -1.017 0.000 1.042 427 V CA -0.550 61.336 62.300 -0.690 0.000 0.877 427 V CB 1.567 33.217 31.823 -0.289 0.000 0.996 427 V HN 0.032 nan 8.190 nan 0.000 0.425 428 F N 4.583 124.435 119.950 -0.163 0.000 2.588 428 F HA 0.724 5.251 4.527 0.000 0.000 0.310 428 F C -0.225 175.576 175.800 0.001 0.000 1.082 428 F CA -0.743 57.189 58.000 -0.114 0.000 0.929 428 F CB 2.221 41.081 39.000 -0.233 0.000 1.254 428 F HN 0.481 nan 8.300 nan 0.000 0.455 429 K N 2.417 122.959 120.400 0.236 0.000 2.535 429 K HA 0.761 5.081 4.320 0.000 0.000 0.250 429 K C -1.947 174.843 176.600 0.317 0.000 0.948 429 K CA -0.673 55.756 56.287 0.236 0.000 0.796 429 K CB 2.004 34.595 32.500 0.152 0.000 1.216 429 K HN 0.595 nan 8.250 nan 0.000 0.432 430 V N 0.639 120.725 119.914 0.286 0.000 2.864 430 V HA 0.444 4.564 4.120 0.000 0.000 0.314 430 V C 1.252 177.317 176.094 -0.048 0.000 1.073 430 V CA -0.953 61.455 62.300 0.180 0.000 0.956 430 V CB 1.799 33.684 31.823 0.103 0.000 1.023 430 V HN 0.938 nan 8.190 nan 0.000 0.435 431 K N 1.112 121.258 120.400 -0.424 0.000 2.000 431 K HA -0.174 4.146 4.320 0.000 0.000 0.218 431 K C 0.542 176.918 176.600 -0.374 0.000 1.053 431 K CA 2.606 58.369 56.287 -0.873 0.000 0.946 431 K CB 0.007 32.140 32.500 -0.612 0.000 0.723 431 K HN 1.109 nan 8.250 nan 0.000 0.446 432 D N -2.573 117.714 120.400 -0.189 0.000 2.610 432 D HA 0.011 4.651 4.640 0.000 0.000 0.271 432 D C 0.454 176.718 176.300 -0.059 0.000 1.174 432 D CA -0.628 53.313 54.000 -0.098 0.000 0.949 432 D CB 0.462 41.209 40.800 -0.088 0.000 1.430 432 D HN -0.036 nan 8.370 nan 0.000 0.467 433 M N 0.326 119.898 119.600 -0.046 0.000 2.358 433 M HA -0.063 4.417 4.480 0.000 0.000 0.264 433 M C 1.542 177.812 176.300 -0.050 0.000 1.064 433 M CA 1.682 56.953 55.300 -0.048 0.000 1.093 433 M CB -0.791 31.773 32.600 -0.059 0.000 1.401 433 M HN 0.636 nan 8.290 nan 0.000 0.440 434 E N -0.133 120.039 120.200 -0.046 0.000 2.023 434 E HA -0.254 4.096 4.350 0.000 0.000 0.196 434 E C 1.705 178.289 176.600 -0.027 0.000 1.003 434 E CA 1.547 57.926 56.400 -0.035 0.000 0.809 434 E CB -0.246 29.428 29.700 -0.043 0.000 0.755 434 E HN 0.595 nan 8.360 nan 0.000 0.449 435 N N 0.628 119.302 118.700 -0.043 0.000 2.272 435 N HA -0.170 4.570 4.740 0.000 0.000 0.185 435 N C 1.916 177.417 175.510 -0.014 0.000 1.014 435 N CA 0.722 53.750 53.050 -0.036 0.000 0.870 435 N CB -0.184 38.269 38.487 -0.057 0.000 0.975 435 N HN 0.206 nan 8.380 nan 0.000 0.433 436 L N 1.880 123.097 121.223 -0.010 0.000 2.109 436 L HA -0.058 4.283 4.340 0.000 0.000 0.207 436 L C 1.909 178.789 176.870 0.016 0.000 1.086 436 L CA 1.496 56.344 54.840 0.013 0.000 0.760 436 L CB -0.338 41.730 42.059 0.015 0.000 0.910 436 L HN 0.068 nan 8.230 nan 0.000 0.437 437 E N -0.473 119.701 120.200 -0.044 0.000 2.051 437 E HA -0.254 4.096 4.350 0.000 0.000 0.192 437 E C 1.765 178.339 176.600 -0.042 0.000 0.991 437 E CA 1.432 57.747 56.400 -0.142 0.000 0.799 437 E CB -0.248 29.380 29.700 -0.120 0.000 0.748 437 E HN 0.482 nan 8.360 nan 0.000 0.449 438 D N 0.348 120.797 120.400 0.081 0.000 2.203 438 D HA -0.166 4.474 4.640 0.000 0.000 0.199 438 D C 1.886 178.231 176.300 0.075 0.000 0.997 438 D CA 0.747 54.823 54.000 0.126 0.000 0.863 438 D CB -0.201 40.622 40.800 0.038 0.000 0.928 438 D HN -0.007 nan 8.370 nan 0.000 0.458 439 V N -0.002 119.901 119.914 -0.018 0.000 2.223 439 V HA -0.253 3.867 4.120 0.000 0.000 0.244 439 V C 2.033 178.016 176.094 -0.187 0.000 1.045 439 V CA 1.599 63.807 62.300 -0.155 0.000 1.000 439 V CB -0.656 30.953 31.823 -0.357 0.000 0.635 439 V HN 0.149 nan 8.190 nan 0.000 0.445 440 F N -1.586 118.256 119.950 -0.180 0.000 2.293 440 F HA -0.131 4.396 4.527 0.000 0.000 0.300 440 F C 2.252 177.999 175.800 -0.090 0.000 1.086 440 F CA 1.207 59.091 58.000 -0.194 0.000 1.375 440 F CB -0.624 38.171 39.000 -0.342 0.000 1.045 440 F HN 0.129 nan 8.300 nan 0.000 0.516 441 Y N 0.037 120.399 120.300 0.103 0.000 2.293 441 Y HA -0.181 4.369 4.550 0.000 0.000 0.291 441 Y C 2.494 178.424 175.900 0.049 0.000 1.137 441 Y CA 1.061 59.190 58.100 0.050 0.000 1.202 441 Y CB -0.883 37.588 38.460 0.019 0.000 0.990 441 Y HN 0.172 nan 8.280 nan 0.000 0.537 442 Q N -0.810 119.124 119.800 0.223 0.000 2.389 442 Q HA -0.071 4.269 4.340 0.000 0.000 0.204 442 Q C 1.928 178.039 176.000 0.185 0.000 0.944 442 Q CA 0.349 56.287 55.803 0.225 0.000 0.908 442 Q CB 0.074 28.977 28.738 0.276 0.000 1.002 442 Q HN 0.460 nan 8.270 nan 0.000 0.493 443 M N -0.001 119.671 119.600 0.119 0.000 2.099 443 M HA -0.123 4.357 4.480 0.000 0.000 0.262 443 M C 1.726 178.011 176.300 -0.026 0.000 1.067 443 M CA 1.315 56.639 55.300 0.040 0.000 1.124 443 M CB -0.058 32.576 32.600 0.057 0.000 1.353 443 M HN 0.192 nan 8.290 nan 0.000 0.410 444 I N 0.327 120.916 120.570 0.032 0.000 3.164 444 I HA -0.224 3.946 4.170 0.000 0.000 0.278 444 I C 0.713 176.812 176.117 -0.029 0.000 1.320 444 I CA 0.602 61.903 61.300 0.002 0.000 1.422 444 I CB -0.728 37.305 38.000 0.055 0.000 1.066 444 I HN 0.275 nan 8.210 nan 0.000 0.503 445 D N 0.009 120.386 120.400 -0.039 0.000 2.463 445 D HA -0.077 4.563 4.640 0.000 0.000 0.237 445 D C 1.960 178.169 176.300 -0.152 0.000 1.013 445 D CA 0.283 54.256 54.000 -0.045 0.000 0.910 445 D CB -0.010 40.816 40.800 0.042 0.000 1.080 445 D HN 0.225 nan 8.370 nan 0.000 0.498 446 E N 1.026 121.015 120.200 -0.353 0.000 2.026 446 E HA -0.291 4.059 4.350 0.000 0.000 0.206 446 E C 1.691 178.089 176.600 -0.337 0.000 1.028 446 E CA 1.608 57.630 56.400 -0.629 0.000 0.845 446 E CB -0.141 28.891 29.700 -1.113 0.000 0.772 446 E HN 0.020 nan 8.360 nan 0.000 0.462 447 S N 0.063 115.600 115.700 -0.272 0.000 2.709 447 S HA -0.343 4.127 4.470 0.000 0.000 0.340 447 S C 0.652 175.170 174.600 -0.138 0.000 1.366 447 S CA 2.493 60.578 58.200 -0.191 0.000 1.096 447 S CB -0.292 62.817 63.200 -0.152 0.000 1.016 447 S HN 0.615 nan 8.310 nan 0.000 0.459 448 Q N -2.008 117.724 119.800 -0.114 0.000 2.975 448 Q HA 0.009 4.349 4.340 0.000 0.000 0.199 448 Q C -0.774 175.200 176.000 -0.043 0.000 0.956 448 Q CA 0.785 56.544 55.803 -0.073 0.000 0.993 448 Q CB -0.874 27.826 28.738 -0.063 0.000 1.981 448 Q HN 0.852 nan 8.270 nan 0.000 0.611 449 S N 1.517 117.205 115.700 -0.021 0.000 3.619 449 S HA -0.055 4.415 4.470 0.000 0.000 0.265 449 S C 0.804 175.408 174.600 0.007 0.000 1.216 449 S CA 0.605 58.805 58.200 -0.000 0.000 0.749 449 S CB -1.349 61.848 63.200 -0.005 0.000 0.858 449 S HN 0.564 nan 8.310 nan 0.000 0.707 450 L N 1.074 122.306 121.223 0.016 0.000 2.328 450 L HA -0.280 4.060 4.340 0.000 0.000 0.219 450 L C 2.496 179.321 176.870 -0.076 0.000 1.088 450 L CA 2.180 57.025 54.840 0.007 0.000 0.795 450 L CB -1.245 40.848 42.059 0.057 0.000 0.888 450 L HN 0.880 nan 8.230 nan 0.000 0.443 451 S N -0.709 114.988 115.700 -0.006 0.000 2.584 451 S HA -0.086 4.384 4.470 0.000 0.000 0.240 451 S C 0.751 175.263 174.600 -0.146 0.000 0.975 451 S CA -0.057 58.087 58.200 -0.093 0.000 0.949 451 S CB -0.526 62.770 63.200 0.160 0.000 0.761 451 S HN 0.241 nan 8.310 nan 0.000 0.536 452 L N 3.651 124.818 121.223 -0.094 0.000 2.477 452 L HA 0.226 4.566 4.340 0.000 0.000 0.272 452 L C 0.636 177.458 176.870 -0.080 0.000 1.157 452 L CA -0.856 53.945 54.840 -0.065 0.000 0.889 452 L CB -0.221 41.821 42.059 -0.028 0.000 1.158 452 L HN 0.581 nan 8.230 nan 0.000 0.473 453 c N 3.684 122.239 118.600 -0.075 0.000 2.662 453 c HA 0.588 5.158 4.570 0.000 0.000 0.420 453 c C 1.374 175.453 174.090 -0.018 0.000 1.314 453 c CA -0.486 55.800 56.329 -0.071 0.000 1.963 453 c CB -0.583 41.877 42.510 -0.083 0.000 2.686 453 c HN 1.466 nan 8.230 nan 0.000 0.609 454 G N 4.333 113.130 108.800 -0.004 0.000 2.386 454 G HA2 -0.155 3.806 3.960 0.000 0.000 0.295 454 G HA3 -0.155 3.806 3.960 0.000 0.000 0.295 454 G C -0.376 174.667 174.900 0.238 0.000 0.979 454 G CA 0.531 45.664 45.100 0.056 0.000 1.193 454 G HN 1.042 nan 8.290 nan 0.000 0.508 455 M N 0.543 120.278 119.600 0.224 0.000 2.142 455 M HA 0.497 4.977 4.480 0.000 0.000 0.299 455 M C -0.699 175.766 176.300 0.275 0.000 0.960 455 M CA -0.649 54.805 55.300 0.256 0.000 0.920 455 M CB 2.053 34.742 32.600 0.149 0.000 1.541 455 M HN 0.067 nan 8.290 nan 0.000 0.429 456 V N 5.127 125.250 119.914 0.348 0.000 2.409 456 V HA 0.331 4.451 4.120 0.000 0.000 0.290 456 V C -0.751 175.554 176.094 0.352 0.000 1.017 456 V CA -0.852 61.612 62.300 0.275 0.000 0.841 456 V CB 1.968 33.855 31.823 0.107 0.000 1.003 456 V HN 0.855 nan 8.190 nan 0.000 0.426 457 W N 4.690 126.069 121.300 0.131 0.000 2.345 457 W HA 0.324 4.984 4.660 0.000 0.000 0.308 457 W C 0.056 176.613 176.519 0.064 0.000 1.273 457 W CA -0.568 56.828 57.345 0.083 0.000 1.243 457 W CB 1.160 30.662 29.460 0.069 0.000 1.260 457 W HN 0.568 nan 8.180 nan 0.000 0.509 458 E N 5.633 125.487 120.200 -0.577 0.000 1.775 458 E HA 0.003 4.353 4.350 0.000 0.000 0.266 458 E C 0.060 176.337 176.600 -0.538 0.000 1.191 458 E CA 0.292 56.432 56.400 -0.433 0.000 1.048 458 E CB -0.330 29.147 29.700 -0.372 0.000 1.081 458 E HN 0.301 nan 8.360 nan 0.000 0.434 459 H N 1.420 120.373 119.070 -0.194 0.000 2.683 459 H HA 0.071 4.627 4.556 0.000 0.000 0.339 459 H C 1.376 176.648 175.328 -0.092 0.000 1.081 459 H CA 0.098 56.093 56.048 -0.088 0.000 1.432 459 H CB 1.222 31.012 29.762 0.045 0.000 1.462 459 H HN 0.363 nan 8.280 nan 0.000 0.557 460 R N 3.184 123.700 120.500 0.027 0.000 2.285 460 R HA -0.071 4.269 4.340 0.000 0.000 0.213 460 R C 1.105 177.398 176.300 -0.012 0.000 1.068 460 R CA 0.766 56.858 56.100 -0.012 0.000 1.004 460 R CB 0.110 30.403 30.300 -0.013 0.000 0.873 460 R HN 0.524 nan 8.270 nan 0.000 0.467 461 K N -0.145 120.248 120.400 -0.012 0.000 2.611 461 K HA 0.086 4.406 4.320 0.000 0.000 0.193 461 K C 1.144 177.682 176.600 -0.104 0.000 1.026 461 K CA 0.579 56.826 56.287 -0.066 0.000 1.063 461 K CB -0.063 32.373 32.500 -0.106 0.000 0.839 461 K HN 0.303 nan 8.250 nan 0.000 0.505 462 G N 2.770 111.527 108.800 -0.072 0.000 3.773 462 G HA2 -0.548 3.412 3.960 0.000 0.000 0.355 462 G HA3 -0.548 3.412 3.960 0.000 0.000 0.355 462 G C 0.720 175.562 174.900 -0.096 0.000 1.323 462 G CA 3.286 48.347 45.100 -0.065 0.000 1.103 462 G HN 0.842 nan 8.290 nan 0.000 0.716 463 T N -1.429 113.064 114.554 -0.102 0.000 4.146 463 T HA -0.189 4.161 4.350 0.000 0.000 0.336 463 T C 0.823 175.560 174.700 0.062 0.000 0.762 463 T CA 1.738 63.779 62.100 -0.098 0.000 1.914 463 T CB -2.204 66.410 68.868 -0.423 0.000 1.897 463 T HN 1.974 nan 8.240 nan 0.000 0.862 464 D N 0.340 120.752 120.400 0.020 0.000 4.049 464 D HA -0.326 4.314 4.640 0.000 0.000 0.154 464 D C 0.989 177.298 176.300 0.016 0.000 0.764 464 D CA 2.288 56.283 54.000 -0.008 0.000 1.058 464 D CB -1.516 39.288 40.800 0.006 0.000 0.472 464 D HN 0.524 nan 8.370 nan 0.000 0.449 465 Y N 0.980 121.271 120.300 -0.016 0.000 2.221 465 Y HA -0.281 4.269 4.550 0.000 0.000 0.280 465 Y C 2.532 178.354 175.900 -0.130 0.000 1.225 465 Y CA 2.438 60.476 58.100 -0.103 0.000 1.191 465 Y CB -0.599 37.803 38.460 -0.097 0.000 0.964 465 Y HN 0.413 nan 8.280 nan 0.000 0.530 466 H N -0.913 118.170 119.070 0.022 0.000 2.489 466 H HA -0.111 4.445 4.556 0.000 0.000 0.295 466 H C 1.715 176.997 175.328 -0.077 0.000 1.082 466 H CA 1.553 57.598 56.048 -0.006 0.000 1.295 466 H CB -0.084 29.692 29.762 0.023 0.000 1.380 466 H HN 0.313 nan 8.280 nan 0.000 0.548 467 K N -0.248 120.119 120.400 -0.054 0.000 2.353 467 K HA 0.104 4.424 4.320 0.000 0.000 0.195 467 K C -0.181 176.137 176.600 -0.471 0.000 1.031 467 K CA 0.252 56.432 56.287 -0.178 0.000 1.079 467 K CB 0.830 33.253 32.500 -0.129 0.000 0.857 467 K HN 0.166 nan 8.250 nan 0.000 0.535 468 Q N -0.573 118.832 119.800 -0.658 0.000 3.557 468 Q HA 0.138 4.479 4.340 0.000 0.000 0.264 468 Q C -2.442 172.845 176.000 -1.189 0.000 0.850 468 Q CA -1.164 53.806 55.803 -1.389 0.000 0.833 468 Q CB 1.433 29.505 28.738 -1.109 0.000 1.505 468 Q HN -0.096 nan 8.270 nan 0.000 0.402 469 P HA -0.157 nan 4.420 nan 0.000 0.220 469 P C 0.382 177.603 177.300 -0.133 0.000 1.148 469 P CA 0.967 63.911 63.100 -0.260 0.000 0.803 469 P CB 0.000 31.654 31.700 -0.078 0.000 0.782 470 W N -1.216 120.091 121.300 0.011 0.000 3.180 470 W HA 0.271 4.931 4.660 0.000 0.000 0.254 470 W C 0.428 176.998 176.519 0.085 0.000 1.318 470 W CA -0.370 56.998 57.345 0.039 0.000 1.608 470 W CB -1.439 28.025 29.460 0.007 0.000 1.124 470 W HN -0.155 nan 8.180 nan 0.000 0.694 471 Q N 2.444 122.157 119.800 -0.146 0.000 2.313 471 Q HA 0.471 4.811 4.340 0.000 0.000 0.266 471 Q C -0.662 175.447 176.000 0.182 0.000 0.989 471 Q CA 0.267 56.083 55.803 0.021 0.000 0.890 471 Q CB 1.141 29.758 28.738 -0.201 0.000 1.200 471 Q HN 0.245 nan 8.270 nan 0.000 0.396 472 A N 4.641 127.575 122.820 0.191 0.000 2.332 472 A HA 0.491 4.811 4.320 0.000 0.000 0.300 472 A C -0.939 176.742 177.584 0.161 0.000 1.153 472 A CA -0.847 51.297 52.037 0.179 0.000 0.764 472 A CB 0.741 19.847 19.000 0.176 0.000 1.174 472 A HN 0.737 nan 8.150 nan 0.000 0.467 473 K N 1.634 122.126 120.400 0.152 0.000 2.237 473 K HA 0.586 4.906 4.320 0.000 0.000 0.270 473 K C -0.815 175.852 176.600 0.111 0.000 1.015 473 K CA 0.286 56.649 56.287 0.126 0.000 0.949 473 K CB 0.940 33.514 32.500 0.123 0.000 0.976 473 K HN 0.637 nan 8.250 nan 0.000 0.472 474 I N 0.763 121.392 120.570 0.097 0.000 2.582 474 I HA 0.193 4.364 4.170 0.000 0.000 0.292 474 I C -0.695 175.457 176.117 0.059 0.000 1.066 474 I CA -0.663 60.691 61.300 0.090 0.000 1.053 474 I CB 2.365 40.427 38.000 0.103 0.000 1.241 474 I HN 0.447 nan 8.210 nan 0.000 0.421 475 S N 4.007 119.745 115.700 0.064 0.000 2.672 475 S HA 0.511 4.982 4.470 0.000 0.000 0.291 475 S C -0.694 173.926 174.600 0.033 0.000 1.145 475 S CA -0.516 57.718 58.200 0.057 0.000 1.013 475 S CB 2.099 65.362 63.200 0.105 0.000 1.017 475 S HN 0.276 nan 8.310 nan 0.000 0.487 476 V N 5.472 125.370 119.914 -0.026 0.000 2.328 476 V HA 0.391 4.511 4.120 0.000 0.000 0.278 476 V C 0.040 176.052 176.094 -0.137 0.000 1.021 476 V CA -0.870 61.402 62.300 -0.047 0.000 0.838 476 V CB 0.775 32.545 31.823 -0.088 0.000 0.999 476 V HN 0.721 nan 8.190 nan 0.000 0.447 477 I N 5.004 125.471 120.570 -0.171 0.000 2.754 477 I HA 0.427 4.597 4.170 0.000 0.000 0.285 477 I C 0.547 176.477 176.117 -0.311 0.000 1.166 477 I CA 0.413 61.465 61.300 -0.413 0.000 1.417 477 I CB -0.123 37.747 38.000 -0.216 0.000 1.382 477 I HN 0.693 nan 8.210 nan 0.000 0.588 484 E N 0.434 120.696 120.200 0.105 0.000 2.363 484 E HA 0.564 4.914 4.350 0.000 0.000 0.281 484 E C -1.514 175.105 176.600 0.031 0.000 0.953 484 E CA -0.720 55.704 56.400 0.039 0.000 0.778 484 E CB 1.432 31.113 29.700 -0.032 0.000 1.220 484 E HN 0.535 nan 8.360 nan 0.000 0.431 485 S N 2.481 118.198 115.700 0.029 0.000 2.395 485 S HA 0.453 4.923 4.470 0.000 0.000 0.207 485 S C -0.149 174.466 174.600 0.024 0.000 1.454 485 S CA -0.793 57.427 58.200 0.034 0.000 1.211 485 S CB -0.303 62.932 63.200 0.058 0.000 1.093 485 S HN 0.484 nan 8.310 nan 0.000 0.472 486 c N 3.320 121.914 118.600 -0.010 0.000 2.590 486 c HA 0.689 5.259 4.570 0.000 0.000 0.354 486 c C 0.618 174.745 174.090 0.061 0.000 1.622 486 c CA -0.756 55.574 56.329 0.002 0.000 2.050 486 c CB 0.424 42.886 42.510 -0.081 0.000 1.960 486 c HN 0.777 nan 8.230 nan 0.000 0.550 487 M N -0.037 119.619 119.600 0.093 0.000 2.691 487 M HA 0.647 5.127 4.480 0.000 0.000 0.293 487 M C -0.053 176.347 176.300 0.166 0.000 1.259 487 M CA 0.028 55.407 55.300 0.132 0.000 0.827 487 M CB 1.561 34.245 32.600 0.141 0.000 1.753 487 M HN 0.958 nan 8.290 nan 0.000 0.465 488 G N 0.069 108.984 108.800 0.192 0.000 2.608 488 G HA2 0.786 4.746 3.960 0.000 0.000 0.291 488 G HA3 0.786 4.746 3.960 0.000 0.000 0.291 488 G C -2.275 172.775 174.900 0.251 0.000 1.425 488 G CA -0.440 44.792 45.100 0.220 0.000 0.787 488 G HN 0.847 nan 8.290 nan 0.000 0.484 489 A N -0.479 122.494 122.820 0.256 0.000 2.365 489 A HA 0.741 5.061 4.320 0.000 0.000 0.318 489 A C -0.553 177.185 177.584 0.258 0.000 1.091 489 A CA -0.570 51.642 52.037 0.292 0.000 0.763 489 A CB 1.901 21.039 19.000 0.230 0.000 1.248 489 A HN 1.272 nan 8.150 nan 0.000 0.442 490 V N 3.767 123.851 119.914 0.283 0.000 2.389 490 V HA 0.188 4.308 4.120 0.000 0.000 0.264 490 V C 1.378 177.603 176.094 0.218 0.000 1.049 490 V CA 0.548 62.999 62.300 0.251 0.000 0.932 490 V CB 0.628 32.608 31.823 0.262 0.000 1.011 490 V HN 0.995 nan 8.190 nan 0.000 0.475 491 V N 2.558 122.600 119.914 0.213 0.000 2.795 491 V HA 0.217 4.337 4.120 0.000 0.000 0.243 491 V C 0.914 177.117 176.094 0.183 0.000 1.069 491 V CA 1.269 63.666 62.300 0.162 0.000 1.089 491 V CB 0.431 32.341 31.823 0.145 0.000 0.756 491 V HN 0.792 nan 8.190 nan 0.000 0.471 492 S N -0.317 115.543 115.700 0.268 0.000 2.971 492 S HA 0.443 4.913 4.470 0.000 0.000 0.320 492 S C 0.580 175.363 174.600 0.305 0.000 1.111 492 S CA -0.059 58.319 58.200 0.298 0.000 0.870 492 S CB 1.347 64.745 63.200 0.331 0.000 1.331 492 S HN 0.347 nan 8.310 nan 0.000 0.635 493 E N -0.532 119.773 120.200 0.175 0.000 2.371 493 E HA 0.051 4.401 4.350 0.000 0.000 0.194 493 E C 0.542 177.015 176.600 -0.212 0.000 1.012 493 E CA 0.737 57.057 56.400 -0.133 0.000 0.860 493 E CB -0.136 29.348 29.700 -0.359 0.000 0.811 493 E HN 0.631 nan 8.360 nan 0.000 0.502 494 Y N -0.887 119.442 120.300 0.049 0.000 2.558 494 Y HA 0.204 4.754 4.550 0.000 0.000 0.273 494 Y C 0.495 176.246 175.900 -0.248 0.000 1.100 494 Y CA -0.069 57.952 58.100 -0.132 0.000 1.276 494 Y CB 0.645 38.981 38.460 -0.206 0.000 1.196 494 Y HN -0.154 nan 8.280 nan 0.000 0.527 495 F N -0.529 119.530 119.950 0.183 0.000 2.450 495 F HA 0.563 5.090 4.527 0.000 0.000 0.332 495 F C -0.363 175.511 175.800 0.123 0.000 1.093 495 F CA -1.259 56.816 58.000 0.124 0.000 1.003 495 F CB 1.464 40.517 39.000 0.088 0.000 1.151 495 F HN -0.551 nan 8.300 nan 0.000 0.474 496 V N 4.657 124.744 119.914 0.288 0.000 2.444 496 V HA 0.331 4.451 4.120 0.000 0.000 0.294 496 V C -0.889 175.363 176.094 0.263 0.000 1.022 496 V CA -0.772 61.675 62.300 0.244 0.000 0.850 496 V CB 1.727 33.663 31.823 0.188 0.000 0.992 496 V HN 0.473 nan 8.190 nan 0.000 0.426 497 L N 5.653 127.027 121.223 0.252 0.000 2.292 497 L HA 0.792 5.132 4.340 0.000 0.000 0.284 497 L C 0.115 177.139 176.870 0.257 0.000 1.065 497 L CA 1.215 56.209 54.840 0.258 0.000 0.806 497 L CB 1.391 43.586 42.059 0.227 0.000 1.175 497 L HN 0.837 nan 8.230 nan 0.000 0.431 498 T N 3.159 117.882 114.554 0.281 0.000 2.647 498 T HA 0.823 5.173 4.350 0.000 0.000 0.295 498 T C -1.152 173.713 174.700 0.275 0.000 1.126 498 T CA -0.051 62.215 62.100 0.276 0.000 1.040 498 T CB 1.058 70.117 68.868 0.318 0.000 1.472 498 T HN 0.879 nan 8.240 nan 0.000 0.500 499 A N 0.359 123.328 122.820 0.249 0.000 2.316 499 A HA 0.732 5.052 4.320 0.000 0.000 0.284 499 A C 1.340 179.050 177.584 0.209 0.000 1.115 499 A CA 0.223 52.403 52.037 0.239 0.000 0.812 499 A CB 0.301 19.476 19.000 0.291 0.000 1.064 499 A HN 1.190 nan 8.150 nan 0.000 0.489 500 A N 0.693 123.567 122.820 0.090 0.000 2.067 500 A HA -0.024 4.296 4.320 0.000 0.000 0.217 500 A C 1.574 179.036 177.584 -0.204 0.000 1.156 500 A CA 1.296 53.227 52.037 -0.177 0.000 0.683 500 A CB -0.729 17.733 19.000 -0.897 0.000 0.808 500 A HN 1.025 nan 8.150 nan 0.000 0.455 501 H N -2.204 116.879 119.070 0.021 0.000 2.556 501 H HA 0.063 4.619 4.556 0.000 0.000 0.268 501 H C 0.862 176.260 175.328 0.118 0.000 0.996 501 H CA 0.905 57.060 56.048 0.178 0.000 1.157 501 H CB -0.710 29.301 29.762 0.416 0.000 1.355 501 H HN 0.357 nan 8.280 nan 0.000 0.597 502 c N 0.471 118.860 118.600 -0.351 0.000 2.613 502 c HA 0.224 4.794 4.570 0.000 0.000 0.273 502 c C 0.975 174.674 174.090 -0.652 0.000 1.304 502 c CA -0.180 55.794 56.329 -0.592 0.000 1.702 502 c CB -1.760 40.240 42.510 -0.849 0.000 1.792 502 c HN 0.479 nan 8.230 nan 0.000 0.588 503 F N -1.386 118.609 119.950 0.076 0.000 1.965 503 F HA 0.207 4.734 4.527 0.000 0.000 0.237 503 F C 2.084 178.009 175.800 0.208 0.000 1.132 503 F CA 1.261 59.374 58.000 0.187 0.000 1.272 503 F CB -1.135 38.096 39.000 0.385 0.000 1.657 503 F HN 0.051 nan 8.300 nan 0.000 0.525 504 T N 0.022 114.849 114.554 0.454 0.000 13.621 504 T HA -0.331 4.019 4.350 0.000 0.000 0.419 504 T C 0.089 175.024 174.700 0.392 0.000 1.441 504 T CA 2.484 64.796 62.100 0.353 0.000 2.349 504 T CB -1.531 67.451 68.868 0.190 0.000 2.788 504 T HN 0.824 nan 8.240 nan 0.000 0.506 511 S N 0.976 116.774 115.700 0.164 0.000 2.515 511 S HA 0.153 4.623 4.470 0.000 0.000 0.231 511 S C 0.611 175.267 174.600 0.093 0.000 0.987 511 S CA 0.466 58.730 58.200 0.107 0.000 0.936 511 S CB 0.020 63.279 63.200 0.100 0.000 0.766 511 S HN 0.257 nan 8.310 nan 0.000 0.528 512 I N 1.147 121.781 120.570 0.107 0.000 2.785 512 I HA 0.533 4.703 4.170 0.000 0.000 0.302 512 I C -0.773 175.398 176.117 0.091 0.000 1.069 512 I CA -1.077 60.302 61.300 0.131 0.000 1.045 512 I CB 2.467 40.618 38.000 0.253 0.000 1.236 512 I HN 0.087 nan 8.210 nan 0.000 0.429 513 K N 3.091 123.549 120.400 0.097 0.000 2.502 513 K HA 0.849 5.169 4.320 0.000 0.000 0.257 513 K C -1.913 174.737 176.600 0.084 0.000 0.938 513 K CA -0.843 55.485 56.287 0.068 0.000 0.819 513 K CB 2.474 35.006 32.500 0.052 0.000 1.333 513 K HN 0.279 nan 8.250 nan 0.000 0.434 514 V N 1.558 121.511 119.914 0.066 0.000 2.604 514 V HA 0.599 4.719 4.120 0.000 0.000 0.305 514 V C -0.908 175.215 176.094 0.049 0.000 1.043 514 V CA -0.587 61.758 62.300 0.075 0.000 0.888 514 V CB 1.902 33.773 31.823 0.080 0.000 0.995 514 V HN 0.994 nan 8.190 nan 0.000 0.429 515 S N 3.272 119.005 115.700 0.055 0.000 2.538 515 S HA 0.939 5.409 4.470 0.000 0.000 0.288 515 S C -1.008 173.606 174.600 0.024 0.000 1.108 515 S CA -0.695 57.520 58.200 0.026 0.000 0.971 515 S CB 1.941 65.154 63.200 0.023 0.000 1.041 515 S HN 0.503 nan 8.310 nan 0.000 0.483 516 V N 0.426 120.317 119.914 -0.038 0.000 3.130 516 V HA 0.858 4.978 4.120 0.000 0.000 0.310 516 V C 1.128 177.043 176.094 -0.298 0.000 1.158 516 V CA -0.339 61.917 62.300 -0.074 0.000 1.029 516 V CB 1.143 32.960 31.823 -0.010 0.000 1.057 516 V HN 1.698 nan 8.190 nan 0.000 0.436 517 G N 0.842 109.325 108.800 -0.528 0.000 2.203 517 G HA2 0.065 4.025 3.960 0.000 0.000 0.263 517 G HA3 0.065 4.025 3.960 0.000 0.000 0.263 517 G C 1.212 175.453 174.900 -1.099 0.000 1.012 517 G CA 0.903 45.528 45.100 -0.791 0.000 0.749 517 G HN 2.623 nan 8.290 nan 0.000 0.512 518 G N -1.290 106.608 108.800 -1.503 0.000 2.179 518 G HA2 -0.267 3.693 3.960 0.000 0.000 0.257 518 G HA3 -0.267 3.693 3.960 0.000 0.000 0.257 518 G C 0.058 174.776 174.900 -0.303 0.000 1.010 518 G CA 0.792 45.484 45.100 -0.681 0.000 0.736 518 G HN 0.958 nan 8.290 nan 0.000 0.513 519 E N 0.076 120.107 120.200 -0.281 0.000 2.152 519 E HA 0.215 4.565 4.350 0.000 0.000 0.285 519 E C 1.445 177.993 176.600 -0.087 0.000 1.043 519 E CA -0.153 56.157 56.400 -0.149 0.000 0.839 519 E CB 1.058 30.678 29.700 -0.133 0.000 1.069 519 E HN 0.433 nan 8.360 nan 0.000 0.399 520 K N 4.585 124.952 120.400 -0.055 0.000 2.059 520 K HA -0.211 4.109 4.320 0.000 0.000 0.212 520 K C 0.949 177.536 176.600 -0.021 0.000 1.050 520 K CA 1.046 57.318 56.287 -0.025 0.000 0.927 520 K CB 0.035 32.525 32.500 -0.017 0.000 0.714 520 K HN 0.365 nan 8.250 nan 0.000 0.447 521 R N 2.670 123.153 120.500 -0.029 0.000 2.486 521 R HA -0.091 4.249 4.340 0.000 0.000 0.304 521 R C -1.058 175.230 176.300 -0.019 0.000 0.913 521 R CA 0.718 56.804 56.100 -0.024 0.000 1.124 521 R CB -0.023 30.257 30.300 -0.033 0.000 0.891 521 R HN 0.341 nan 8.270 nan 0.000 0.410 522 D N 5.535 125.932 120.400 -0.006 0.000 2.163 522 D HA 0.239 4.879 4.640 0.000 0.000 0.248 522 D C -0.090 176.207 176.300 -0.005 0.000 1.035 522 D CA -0.573 53.428 54.000 0.003 0.000 0.872 522 D CB 1.228 42.040 40.800 0.020 0.000 1.183 522 D HN 0.345 nan 8.370 nan 0.000 0.445 523 L N 0.385 121.606 121.223 -0.004 0.000 2.325 523 L HA 0.346 4.687 4.340 0.000 0.000 0.279 523 L C 0.836 177.691 176.870 -0.025 0.000 1.054 523 L CA -1.059 53.770 54.840 -0.018 0.000 0.804 523 L CB 1.183 43.230 42.059 -0.019 0.000 1.200 523 L HN 0.451 nan 8.230 nan 0.000 0.436 524 E N 3.579 123.752 120.200 -0.045 0.000 2.344 524 E HA 0.270 4.620 4.350 0.000 0.000 0.270 524 E C -0.842 175.709 176.600 -0.081 0.000 1.021 524 E CA -0.398 55.956 56.400 -0.077 0.000 0.887 524 E CB 0.917 30.561 29.700 -0.092 0.000 0.997 524 E HN 0.526 nan 8.360 nan 0.000 0.429 525 I N 1.206 121.717 120.570 -0.099 0.000 2.562 525 I HA 0.359 4.529 4.170 0.000 0.000 0.301 525 I C 0.518 176.557 176.117 -0.131 0.000 1.003 525 I CA -0.668 60.574 61.300 -0.098 0.000 1.127 525 I CB 2.029 39.990 38.000 -0.065 0.000 1.304 525 I HN 0.685 nan 8.210 nan 0.000 0.446 526 E N 3.647 123.767 120.200 -0.133 0.000 2.127 526 E HA 0.177 4.527 4.350 0.000 0.000 0.191 526 E C -0.261 176.271 176.600 -0.113 0.000 0.964 526 E CA 0.471 56.794 56.400 -0.128 0.000 0.832 526 E CB 0.978 30.589 29.700 -0.147 0.000 0.790 526 E HN 0.560 nan 8.360 nan 0.000 0.465 527 V N 0.337 120.170 119.914 -0.135 0.000 3.106 527 V HA 0.231 4.352 4.120 0.000 0.000 0.280 527 V C -1.615 174.367 176.094 -0.187 0.000 1.525 527 V CA -0.891 61.325 62.300 -0.141 0.000 0.999 527 V CB 1.951 33.706 31.823 -0.113 0.000 1.186 527 V HN -0.085 nan 8.190 nan 0.000 0.448 528 V N 6.594 126.336 119.914 -0.287 0.000 2.465 528 V HA 0.496 4.616 4.120 0.000 0.000 0.279 528 V C 0.024 175.881 176.094 -0.395 0.000 1.045 528 V CA -0.373 61.669 62.300 -0.429 0.000 0.938 528 V CB 1.519 32.879 31.823 -0.772 0.000 0.986 528 V HN 0.683 nan 8.190 nan 0.000 0.467 529 L N 6.029 127.150 121.223 -0.171 0.000 2.321 529 L HA 0.453 4.793 4.340 0.000 0.000 0.272 529 L C -0.650 176.378 176.870 0.262 0.000 1.050 529 L CA -0.297 54.576 54.840 0.056 0.000 0.893 529 L CB 0.353 42.541 42.059 0.216 0.000 1.272 529 L HN 0.432 nan 8.230 nan 0.000 0.435 530 F N 1.433 121.453 119.950 0.118 0.000 2.459 530 F HA 0.124 4.651 4.527 0.000 0.000 0.346 530 F C 1.221 176.991 175.800 -0.050 0.000 1.128 530 F CA -0.497 57.505 58.000 0.003 0.000 1.268 530 F CB 0.033 39.029 39.000 -0.006 0.000 1.161 530 F HN 0.360 nan 8.300 nan 0.000 0.583 531 H N 5.769 124.648 119.070 -0.319 0.000 2.886 531 H HA 0.043 4.599 4.556 0.000 0.000 0.329 531 H C -1.529 173.646 175.328 -0.255 0.000 1.044 531 H CA -1.179 54.383 56.048 -0.810 0.000 1.456 531 H CB 1.397 30.584 29.762 -0.959 0.000 1.464 531 H HN 0.261 nan 8.280 nan 0.000 0.573 532 P HA -0.118 nan 4.420 nan 0.000 0.221 532 P C 0.381 177.618 177.300 -0.105 0.000 1.145 532 P CA 1.065 64.054 63.100 -0.184 0.000 0.795 532 P CB 0.516 32.078 31.700 -0.231 0.000 0.775 533 N N -1.851 116.807 118.700 -0.071 0.000 2.392 533 N HA -0.015 4.725 4.740 0.000 0.000 0.177 533 N C 0.433 175.953 175.510 0.017 0.000 1.066 533 N CA -0.130 52.835 53.050 -0.141 0.000 0.895 533 N CB -0.751 37.297 38.487 -0.732 0.000 0.988 533 N HN 0.193 nan 8.380 nan 0.000 0.457 534 Y N 1.700 121.995 120.300 -0.008 0.000 2.610 534 Y HA 0.183 4.733 4.550 0.000 0.000 0.332 534 Y C -0.156 175.715 175.900 -0.049 0.000 1.201 534 Y CA 0.176 58.257 58.100 -0.031 0.000 1.465 534 Y CB 0.274 38.688 38.460 -0.076 0.000 1.283 534 Y HN -0.038 nan 8.280 nan 0.000 0.563 535 N N 6.067 124.279 118.700 -0.813 0.000 3.049 535 N HA 0.022 4.762 4.740 0.000 0.000 0.241 535 N C -0.451 174.702 175.510 -0.596 0.000 1.323 535 N CA -0.436 52.284 53.050 -0.551 0.000 0.824 535 N CB 0.228 38.615 38.487 -0.166 0.000 1.557 535 N HN 0.713 nan 8.380 nan 0.000 0.612 536 I N 2.252 122.400 120.570 -0.704 0.000 2.850 536 I HA 0.020 4.190 4.170 0.000 0.000 0.266 536 I C 0.583 176.554 176.117 -0.245 0.000 1.257 536 I CA 1.116 62.125 61.300 -0.484 0.000 1.465 536 I CB -0.072 37.744 38.000 -0.306 0.000 1.091 536 I HN 0.414 nan 8.210 nan 0.000 0.467 537 N N -0.379 118.219 118.700 -0.169 0.000 2.204 537 N HA 0.201 4.942 4.740 0.000 0.000 0.219 537 N C 1.710 177.177 175.510 -0.071 0.000 1.151 537 N CA 0.660 53.652 53.050 -0.098 0.000 0.867 537 N CB 0.095 38.538 38.487 -0.074 0.000 1.043 537 N HN 0.288 nan 8.380 nan 0.000 0.516 538 G N 0.879 109.663 108.800 -0.026 0.000 2.550 538 G HA2 -0.265 3.695 3.960 0.000 0.000 0.222 538 G HA3 -0.265 3.695 3.960 0.000 0.000 0.222 538 G C 0.855 175.672 174.900 -0.138 0.000 1.113 538 G CA 1.059 46.157 45.100 -0.002 0.000 0.748 538 G HN 0.286 nan 8.290 nan 0.000 0.585 539 K N -0.666 119.619 120.400 -0.191 0.000 3.012 539 K HA 0.235 4.555 4.320 0.000 0.000 0.207 539 K C 0.963 177.470 176.600 -0.156 0.000 1.130 539 K CA -0.263 55.879 56.287 -0.241 0.000 1.021 539 K CB 0.952 33.193 32.500 -0.432 0.000 0.736 539 K HN 0.113 nan 8.250 nan 0.000 0.448 540 K N 1.300 121.636 120.400 -0.106 0.000 2.442 540 K HA -0.084 4.236 4.320 0.000 0.000 0.198 540 K C 1.102 177.660 176.600 -0.071 0.000 1.042 540 K CA 1.088 57.329 56.287 -0.077 0.000 0.958 540 K CB 0.397 32.861 32.500 -0.061 0.000 0.766 540 K HN 0.135 nan 8.250 nan 0.000 0.474 541 E N -0.017 120.133 120.200 -0.082 0.000 2.106 541 E HA -0.123 4.227 4.350 0.000 0.000 0.192 541 E C 1.189 177.745 176.600 -0.073 0.000 0.984 541 E CA 1.016 57.373 56.400 -0.071 0.000 0.806 541 E CB 0.024 29.680 29.700 -0.074 0.000 0.750 541 E HN 0.336 nan 8.360 nan 0.000 0.458 542 A N 0.153 122.916 122.820 -0.095 0.000 2.462 542 A HA 0.427 4.748 4.320 0.000 0.000 0.261 542 A C 1.332 178.870 177.584 -0.076 0.000 1.323 542 A CA 0.556 52.538 52.037 -0.092 0.000 0.913 542 A CB -0.412 18.514 19.000 -0.124 0.000 1.028 542 A HN 0.195 nan 8.150 nan 0.000 0.511 543 G N 0.379 109.143 108.800 -0.059 0.000 2.179 543 G HA2 -0.255 3.705 3.960 0.000 0.000 0.257 543 G HA3 -0.255 3.705 3.960 0.000 0.000 0.257 543 G C 0.238 175.123 174.900 -0.025 0.000 1.010 543 G CA 0.573 45.650 45.100 -0.037 0.000 0.736 543 G HN 1.550 nan 8.290 nan 0.000 0.513 544 I N -3.063 117.480 120.570 -0.046 0.000 2.460 544 I HA 0.511 4.682 4.170 0.000 0.000 0.277 544 I C -0.969 175.147 176.117 -0.001 0.000 1.057 544 I CA -2.758 58.537 61.300 -0.008 0.000 1.179 544 I CB 1.522 39.465 38.000 -0.095 0.000 1.329 544 I HN -0.150 nan 8.210 nan 0.000 0.478 545 P HA -0.200 nan 4.420 nan 0.000 0.207 545 P C -0.282 176.981 177.300 -0.062 0.000 0.954 545 P CA 1.618 64.702 63.100 -0.026 0.000 0.990 545 P CB 0.120 31.801 31.700 -0.032 0.000 0.721 546 E N -1.112 119.032 120.200 -0.092 0.000 2.167 546 E HA 0.314 4.664 4.350 0.000 0.000 0.284 546 E C -0.818 175.622 176.600 -0.266 0.000 1.016 546 E CA -0.485 55.735 56.400 -0.299 0.000 0.817 546 E CB 0.222 29.639 29.700 -0.471 0.000 1.080 546 E HN 0.038 nan 8.360 nan 0.000 0.397 547 F N 3.655 123.307 119.950 -0.496 0.000 2.325 547 F HA 0.268 4.795 4.527 0.000 0.000 0.369 547 F C -0.811 174.770 175.800 -0.365 0.000 1.095 547 F CA -1.271 56.516 58.000 -0.356 0.000 1.082 547 F CB 0.155 39.008 39.000 -0.246 0.000 1.289 547 F HN 0.467 nan 8.300 nan 0.000 0.462 548 Y N 1.946 121.998 120.300 -0.414 0.000 2.496 548 Y HA 0.090 4.640 4.550 0.000 0.000 0.313 548 Y C 0.891 176.781 175.900 -0.017 0.000 1.184 548 Y CA -0.253 57.734 58.100 -0.189 0.000 1.275 548 Y CB -0.625 37.714 38.460 -0.202 0.000 1.103 548 Y HN 0.432 nan 8.280 nan 0.000 0.513 549 D N -0.495 119.578 120.400 -0.545 0.000 2.443 549 D HA -0.106 4.534 4.640 0.000 0.000 0.239 549 D C -0.186 175.978 176.300 -0.227 0.000 1.136 549 D CA 0.437 54.097 54.000 -0.567 0.000 0.879 549 D CB 0.259 40.510 40.800 -0.916 0.000 1.195 549 D HN 0.241 nan 8.370 nan 0.000 0.443 550 Y N 0.449 120.553 120.300 -0.327 0.000 3.168 550 Y HA -0.248 4.302 4.550 0.000 0.000 0.207 550 Y C 0.314 176.178 175.900 -0.060 0.000 1.280 550 Y CA 0.610 58.519 58.100 -0.320 0.000 1.235 550 Y CB -1.415 36.824 38.460 -0.369 0.000 1.370 550 Y HN 0.380 nan 8.280 nan 0.000 0.537 551 D N 1.316 121.820 120.400 0.174 0.000 2.741 551 D HA 0.419 5.059 4.640 0.000 0.000 0.233 551 D C -0.372 176.002 176.300 0.123 0.000 1.160 551 D CA 0.143 54.318 54.000 0.292 0.000 1.003 551 D CB -0.366 40.747 40.800 0.523 0.000 1.064 551 D HN 0.163 nan 8.370 nan 0.000 0.503 552 V N -1.048 118.842 119.914 -0.039 0.000 3.007 552 V HA 1.013 5.133 4.120 0.000 0.000 0.311 552 V C -0.552 175.526 176.094 -0.027 0.000 1.120 552 V CA -1.223 61.081 62.300 0.008 0.000 0.980 552 V CB 1.490 33.330 31.823 0.030 0.000 1.033 552 V HN 0.249 nan 8.190 nan 0.000 0.429 553 A N 3.290 126.261 122.820 0.252 0.000 2.574 553 A HA 0.894 5.215 4.320 0.000 0.000 0.297 553 A C -1.431 176.439 177.584 0.477 0.000 1.062 553 A CA -0.673 51.600 52.037 0.393 0.000 0.686 553 A CB 1.792 20.970 19.000 0.295 0.000 1.285 553 A HN 0.997 nan 8.150 nan 0.000 0.403 554 L N 1.712 123.219 121.223 0.473 0.000 2.334 554 L HA 0.601 4.941 4.340 0.000 0.000 0.276 554 L C -0.827 176.167 176.870 0.207 0.000 1.014 554 L CA -0.499 54.543 54.840 0.336 0.000 0.815 554 L CB 1.825 44.029 42.059 0.243 0.000 1.268 554 L HN 0.610 nan 8.230 nan 0.000 0.428 555 I N 3.404 124.089 120.570 0.192 0.000 2.390 555 I HA 0.249 4.419 4.170 0.000 0.000 0.283 555 I C -0.067 175.996 176.117 -0.090 0.000 1.016 555 I CA -0.508 60.804 61.300 0.021 0.000 1.151 555 I CB 1.427 39.441 38.000 0.024 0.000 1.293 555 I HN 0.502 nan 8.210 nan 0.000 0.458 556 K N 7.472 127.703 120.400 -0.282 0.000 2.312 556 K HA 0.419 4.740 4.320 0.000 0.000 0.287 556 K C -0.522 175.888 176.600 -0.318 0.000 1.062 556 K CA -0.468 55.428 56.287 -0.651 0.000 0.934 556 K CB 0.701 32.753 32.500 -0.747 0.000 1.027 556 K HN 0.542 nan 8.250 nan 0.000 0.478 557 L N 3.860 124.954 121.223 -0.216 0.000 2.464 557 L HA 0.102 4.442 4.340 0.000 0.000 0.264 557 L C 1.447 178.283 176.870 -0.055 0.000 1.199 557 L CA -0.193 54.595 54.840 -0.087 0.000 0.818 557 L CB 0.453 42.492 42.059 -0.033 0.000 1.102 557 L HN 0.626 nan 8.230 nan 0.000 0.473 558 K N 0.598 120.966 120.400 -0.052 0.000 2.296 558 K HA 0.055 4.375 4.320 0.000 0.000 0.200 558 K C -0.074 176.539 176.600 0.022 0.000 1.048 558 K CA 0.777 57.040 56.287 -0.040 0.000 0.966 558 K CB 0.219 32.679 32.500 -0.067 0.000 0.754 558 K HN 0.462 nan 8.250 nan 0.000 0.466 559 N N 1.069 119.780 118.700 0.017 0.000 2.354 559 N HA 0.135 4.875 4.740 0.000 0.000 0.287 559 N C -1.337 174.131 175.510 -0.070 0.000 1.016 559 N CA -0.474 52.575 53.050 -0.002 0.000 0.871 559 N CB 1.649 40.112 38.487 -0.040 0.000 1.299 559 N HN -0.034 nan 8.380 nan 0.000 0.482 560 K N 1.313 121.607 120.400 -0.176 0.000 2.494 560 K HA 0.106 4.426 4.320 0.000 0.000 0.273 560 K C -0.170 176.234 176.600 -0.326 0.000 0.970 560 K CA 0.294 56.283 56.287 -0.496 0.000 0.963 560 K CB 0.587 32.762 32.500 -0.542 0.000 0.913 560 K HN 0.402 nan 8.250 nan 0.000 0.502 561 L N 2.617 123.612 121.223 -0.380 0.000 2.334 561 L HA 0.377 4.717 4.340 0.000 0.000 0.275 561 L C -0.049 176.576 176.870 -0.409 0.000 1.036 561 L CA -0.694 53.965 54.840 -0.302 0.000 0.807 561 L CB 1.436 43.359 42.059 -0.226 0.000 1.231 561 L HN 0.489 nan 8.230 nan 0.000 0.438 562 K N 1.920 122.147 120.400 -0.288 0.000 2.316 562 K HA 0.350 4.670 4.320 0.000 0.000 0.267 562 K C -0.781 175.719 176.600 -0.167 0.000 1.025 562 K CA -0.568 55.555 56.287 -0.273 0.000 0.896 562 K CB 0.667 33.076 32.500 -0.153 0.000 1.124 562 K HN 0.204 nan 8.250 nan 0.000 0.451 563 Y N 1.451 121.726 120.300 -0.041 0.000 2.285 563 Y HA 0.357 4.907 4.550 0.000 0.000 0.356 563 Y C 1.455 177.335 175.900 -0.033 0.000 1.267 563 Y CA 0.746 58.830 58.100 -0.027 0.000 1.574 563 Y CB 0.419 38.874 38.460 -0.008 0.000 1.378 563 Y HN 0.790 nan 8.280 nan 0.000 0.679 564 G N -1.453 107.447 108.800 0.166 0.000 2.315 564 G HA2 0.058 4.018 3.960 0.000 0.000 0.294 564 G HA3 0.058 4.018 3.960 0.000 0.000 0.294 564 G C -0.466 174.440 174.900 0.010 0.000 1.300 564 G CA -0.778 44.355 45.100 0.056 0.000 0.843 564 G HN 0.287 nan 8.290 nan 0.000 0.527 565 Q N -0.611 119.170 119.800 -0.032 0.000 2.368 565 Q HA -0.079 4.262 4.340 0.000 0.000 0.210 565 Q C 2.024 177.885 176.000 -0.232 0.000 0.982 565 Q CA 1.982 57.742 55.803 -0.071 0.000 0.884 565 Q CB -0.036 28.671 28.738 -0.052 0.000 0.933 565 Q HN 0.816 nan 8.270 nan 0.000 0.460 566 T N -3.740 110.674 114.554 -0.234 0.000 3.231 566 T HA 0.432 4.782 4.350 0.000 0.000 0.292 566 T C 0.329 174.961 174.700 -0.113 0.000 1.001 566 T CA -0.253 61.689 62.100 -0.263 0.000 0.920 566 T CB 0.123 68.775 68.868 -0.360 0.000 1.140 566 T HN -0.013 nan 8.240 nan 0.000 0.525 567 I N 1.627 122.178 120.570 -0.031 0.000 2.560 567 I HA 0.501 4.671 4.170 0.000 0.000 0.283 567 I C -0.783 175.411 176.117 0.128 0.000 1.115 567 I CA -0.790 60.547 61.300 0.063 0.000 1.066 567 I CB 1.892 39.944 38.000 0.086 0.000 1.221 567 I HN 0.059 nan 8.210 nan 0.000 0.450 568 R N 5.033 125.570 120.500 0.062 0.000 2.855 568 R HA 0.659 4.999 4.340 0.000 0.000 0.266 568 R C -2.875 173.379 176.300 -0.076 0.000 1.034 568 R CA -1.783 54.224 56.100 -0.155 0.000 0.944 568 R CB 2.230 32.475 30.300 -0.091 0.000 1.219 568 R HN 0.163 nan 8.270 nan 0.000 0.474 569 P HA 0.299 nan 4.420 nan 0.000 0.279 569 P C -0.870 176.440 177.300 0.017 0.000 1.276 569 P CA -0.468 62.600 63.100 -0.054 0.000 0.801 569 P CB 0.796 32.416 31.700 -0.133 0.000 1.127 570 I N -0.276 120.292 120.570 -0.003 0.000 2.693 570 I HA 0.317 4.487 4.170 0.000 0.000 0.303 570 I C -0.539 175.503 176.117 -0.125 0.000 1.025 570 I CA -1.125 60.084 61.300 -0.152 0.000 1.086 570 I CB 1.433 39.216 38.000 -0.362 0.000 1.268 570 I HN 0.315 nan 8.210 nan 0.000 0.440 571 c N 6.231 124.742 118.600 -0.148 0.000 2.644 571 c HA 0.332 4.902 4.570 0.000 0.000 0.417 571 c C 0.306 174.318 174.090 -0.130 0.000 1.304 571 c CA -0.443 55.810 56.329 -0.127 0.000 2.035 571 c CB -0.449 41.994 42.510 -0.113 0.000 2.673 571 c HN 0.448 nan 8.230 nan 0.000 0.602 572 L N 3.724 124.857 121.223 -0.149 0.000 2.334 572 L HA 0.431 4.771 4.340 0.000 0.000 0.272 572 L C -2.252 174.491 176.870 -0.212 0.000 1.020 572 L CA -1.786 52.965 54.840 -0.148 0.000 0.812 572 L CB 1.371 43.364 42.059 -0.108 0.000 1.264 572 L HN 0.309 nan 8.230 nan 0.000 0.439 573 P HA 0.061 nan 4.420 nan 0.000 0.268 573 P C -0.387 176.722 177.300 -0.319 0.000 1.204 573 P CA -0.130 62.711 63.100 -0.432 0.000 0.768 573 P CB 0.370 31.417 31.700 -1.088 0.000 0.842 574 c N 1.316 119.792 118.600 -0.206 0.000 4.591 574 c HA -0.081 4.489 4.570 0.000 0.000 0.308 574 c C 0.760 174.697 174.090 -0.256 0.000 1.258 574 c CA 1.163 57.433 56.329 -0.099 0.000 2.128 574 c CB -2.908 39.624 42.510 0.037 0.000 1.231 574 c HN 0.841 nan 8.230 nan 0.000 0.742 575 T N -3.712 110.649 114.554 -0.321 0.000 2.916 575 T HA 0.563 4.913 4.350 0.000 0.000 0.292 575 T C 0.839 175.410 174.700 -0.215 0.000 1.064 575 T CA -0.375 61.475 62.100 -0.417 0.000 1.011 575 T CB 1.618 70.181 68.868 -0.508 0.000 1.152 575 T HN 0.351 nan 8.240 nan 0.000 0.510 576 E N 0.672 120.765 120.200 -0.179 0.000 2.150 576 E HA -0.025 4.326 4.350 0.000 0.000 0.193 576 E C 2.235 178.768 176.600 -0.112 0.000 0.985 576 E CA 1.011 57.345 56.400 -0.111 0.000 0.814 576 E CB -0.558 29.093 29.700 -0.080 0.000 0.752 576 E HN 0.905 nan 8.360 nan 0.000 0.466 577 G N 0.771 109.490 108.800 -0.135 0.000 2.442 577 G HA2 -0.274 3.686 3.960 0.000 0.000 0.219 577 G HA3 -0.274 3.686 3.960 0.000 0.000 0.219 577 G C 1.615 176.447 174.900 -0.113 0.000 1.141 577 G CA 1.349 46.379 45.100 -0.116 0.000 0.763 577 G HN 0.192 nan 8.290 nan 0.000 0.554 578 T N 0.562 115.038 114.554 -0.130 0.000 2.809 578 T HA -0.060 4.290 4.350 0.000 0.000 0.260 578 T C 2.653 177.298 174.700 -0.092 0.000 1.039 578 T CA 1.588 63.623 62.100 -0.109 0.000 1.141 578 T CB -0.532 68.267 68.868 -0.115 0.000 0.869 578 T HN 0.248 nan 8.240 nan 0.000 0.437 579 T N 1.740 116.243 114.554 -0.085 0.000 2.653 579 T HA -0.151 4.199 4.350 0.000 0.000 0.268 579 T C 2.178 176.825 174.700 -0.088 0.000 1.035 579 T CA 1.409 63.466 62.100 -0.071 0.000 1.154 579 T CB -0.187 68.647 68.868 -0.058 0.000 0.862 579 T HN 0.250 nan 8.240 nan 0.000 0.441 580 R N 0.499 120.943 120.500 -0.093 0.000 2.075 580 R HA 0.100 4.440 4.340 0.000 0.000 0.232 580 R C 2.700 178.917 176.300 -0.138 0.000 1.126 580 R CA 1.222 57.259 56.100 -0.106 0.000 0.963 580 R CB -0.476 29.773 30.300 -0.086 0.000 0.858 580 R HN 0.368 nan 8.270 nan 0.000 0.435 581 A N 0.335 123.083 122.820 -0.120 0.000 2.019 581 A HA -0.106 4.214 4.320 0.000 0.000 0.219 581 A C 1.884 179.372 177.584 -0.161 0.000 1.164 581 A CA 1.142 53.104 52.037 -0.125 0.000 0.644 581 A CB -0.347 18.599 19.000 -0.090 0.000 0.805 581 A HN 0.251 nan 8.150 nan 0.000 0.449 582 L N -1.852 119.281 121.223 -0.149 0.000 2.567 582 L HA 0.091 4.431 4.340 0.000 0.000 0.225 582 L C 0.198 176.950 176.870 -0.196 0.000 1.119 582 L CA -0.227 54.523 54.840 -0.151 0.000 0.871 582 L CB 0.103 42.103 42.059 -0.098 0.000 1.036 582 L HN 0.296 nan 8.230 nan 0.000 0.459 583 R N 0.117 120.468 120.500 -0.247 0.000 3.281 583 R HA -0.076 4.264 4.340 0.000 0.000 0.271 583 R C -0.985 175.226 176.300 -0.147 0.000 1.099 583 R CA 0.484 56.408 56.100 -0.293 0.000 0.732 583 R CB -2.738 27.291 30.300 -0.452 0.000 1.269 583 R HN 0.283 nan 8.270 nan 0.000 0.412 584 L N -0.013 121.144 121.223 -0.109 0.000 2.301 584 L HA 0.691 5.031 4.340 0.000 0.000 0.264 584 L C -1.863 174.976 176.870 -0.053 0.000 1.016 584 L CA -2.392 52.408 54.840 -0.066 0.000 0.821 584 L CB 1.706 43.733 42.059 -0.054 0.000 1.346 584 L HN -0.170 nan 8.230 nan 0.000 0.429 585 P HA 0.191 nan 4.420 nan 0.000 0.276 585 P C -2.180 175.105 177.300 -0.025 0.000 1.244 585 P CA -1.395 61.689 63.100 -0.027 0.000 0.801 585 P CB 0.088 31.776 31.700 -0.018 0.000 1.006 586 P HA -0.120 nan 4.420 nan 0.000 0.223 586 P C 0.646 177.939 177.300 -0.012 0.000 1.144 586 P CA 1.425 64.513 63.100 -0.019 0.000 0.783 586 P CB -0.506 31.184 31.700 -0.016 0.000 0.771 587 T N -3.956 110.593 114.554 -0.009 0.000 3.312 587 T HA 0.137 4.487 4.350 0.000 0.000 0.251 587 T C 0.460 175.159 174.700 -0.002 0.000 1.012 587 T CA -0.270 61.828 62.100 -0.004 0.000 0.925 587 T CB -1.158 67.708 68.868 -0.003 0.000 1.049 587 T HN -0.112 nan 8.240 nan 0.000 0.583 588 T N 3.637 118.188 114.554 -0.004 0.000 2.771 588 T HA 0.456 4.806 4.350 0.000 0.000 0.291 588 T C 0.789 175.496 174.700 0.011 0.000 0.954 588 T CA -0.516 61.584 62.100 -0.000 0.000 1.045 588 T CB 1.265 70.128 68.868 -0.008 0.000 0.917 588 T HN 0.637 nan 8.240 nan 0.000 0.484 589 T N -0.395 114.171 114.554 0.020 0.000 2.788 589 T HA 0.119 4.469 4.350 0.000 0.000 0.280 589 T C 1.802 176.536 174.700 0.056 0.000 0.984 589 T CA -0.732 61.388 62.100 0.034 0.000 0.972 589 T CB 0.600 69.487 68.868 0.032 0.000 1.039 589 T HN 0.681 nan 8.240 nan 0.000 0.530 590 c N 0.403 119.050 118.600 0.078 0.000 2.457 590 c HA 0.015 4.585 4.570 0.000 0.000 0.278 590 c C 2.810 176.991 174.090 0.153 0.000 1.309 590 c CA 1.349 57.756 56.329 0.129 0.000 1.735 590 c CB -1.521 41.073 42.510 0.140 0.000 1.992 590 c HN 1.055 nan 8.230 nan 0.000 0.493 591 Q N 0.688 120.544 119.800 0.093 0.000 2.124 591 Q HA -0.170 4.171 4.340 0.000 0.000 0.202 591 Q C 2.184 178.197 176.000 0.023 0.000 0.977 591 Q CA 1.898 57.733 55.803 0.052 0.000 0.850 591 Q CB -0.455 28.301 28.738 0.030 0.000 0.901 591 Q HN 0.759 nan 8.270 nan 0.000 0.429 592 Q N -0.706 119.112 119.800 0.029 0.000 2.226 592 Q HA -0.171 4.169 4.340 0.000 0.000 0.204 592 Q C 2.112 178.122 176.000 0.018 0.000 0.975 592 Q CA 1.243 57.052 55.803 0.011 0.000 0.866 592 Q CB 0.020 28.764 28.738 0.010 0.000 0.915 592 Q HN 0.526 nan 8.270 nan 0.000 0.440 593 Q N 0.511 120.351 119.800 0.066 0.000 2.049 593 Q HA -0.152 4.189 4.340 0.000 0.000 0.198 593 Q C 1.981 178.027 176.000 0.077 0.000 0.971 593 Q CA 1.026 56.895 55.803 0.111 0.000 0.833 593 Q CB 0.000 28.860 28.738 0.204 0.000 0.896 593 Q HN 0.183 nan 8.270 nan 0.000 0.434 594 K N 1.145 121.531 120.400 -0.024 0.000 2.032 594 K HA -0.201 4.119 4.320 0.000 0.000 0.209 594 K C 1.689 178.125 176.600 -0.273 0.000 1.048 594 K CA 1.558 57.547 56.287 -0.497 0.000 0.927 594 K CB 0.081 32.173 32.500 -0.681 0.000 0.712 594 K HN 0.156 nan 8.250 nan 0.000 0.441 595 E N -0.232 119.880 120.200 -0.146 0.000 2.331 595 E HA -0.227 4.123 4.350 0.000 0.000 0.199 595 E C 1.671 178.225 176.600 -0.077 0.000 1.008 595 E CA 1.168 57.509 56.400 -0.099 0.000 0.843 595 E CB 0.104 29.768 29.700 -0.061 0.000 0.761 595 E HN 0.343 nan 8.360 nan 0.000 0.507 596 E N 0.157 120.319 120.200 -0.063 0.000 2.166 596 E HA 0.014 4.364 4.350 0.000 0.000 0.192 596 E C 1.734 178.308 176.600 -0.043 0.000 0.967 596 E CA 0.329 56.703 56.400 -0.043 0.000 0.840 596 E CB 0.236 29.921 29.700 -0.024 0.000 0.795 596 E HN 0.129 nan 8.360 nan 0.000 0.470 597 L N -0.198 121.000 121.223 -0.040 0.000 2.145 597 L HA 0.166 4.507 4.340 0.000 0.000 0.201 597 L C 0.785 177.624 176.870 -0.053 0.000 1.075 597 L CA 0.490 55.321 54.840 -0.016 0.000 0.773 597 L CB 0.137 42.249 42.059 0.089 0.000 0.936 597 L HN 0.082 nan 8.230 nan 0.000 0.451 598 L N 1.934 123.075 121.223 -0.137 0.000 2.843 598 L HA 0.314 4.654 4.340 0.000 0.000 0.234 598 L C -2.212 174.584 176.870 -0.122 0.000 1.264 598 L CA -1.538 53.222 54.840 -0.134 0.000 1.052 598 L CB -0.032 41.898 42.059 -0.215 0.000 1.372 598 L HN -0.015 nan 8.230 nan 0.000 0.466 599 P HA 0.061 nan 4.420 nan 0.000 0.272 599 P C -0.020 177.252 177.300 -0.047 0.000 1.240 599 P CA -0.404 62.657 63.100 -0.065 0.000 0.791 599 P CB 1.273 32.944 31.700 -0.048 0.000 0.978 600 A N 1.642 124.437 122.820 -0.042 0.000 3.048 600 A HA 0.197 4.517 4.320 0.000 0.000 0.264 600 A C 0.784 178.353 177.584 -0.025 0.000 1.796 600 A CA 0.131 52.149 52.037 -0.031 0.000 1.445 600 A CB -1.222 17.759 19.000 -0.030 0.000 1.074 600 A HN 0.619 nan 8.150 nan 0.000 0.621 601 Q N -0.551 119.239 119.800 -0.016 0.000 2.816 601 Q HA 0.345 4.685 4.340 0.000 0.000 0.351 601 Q C -1.790 174.216 176.000 0.011 0.000 0.761 601 Q CA -1.089 54.707 55.803 -0.012 0.000 0.852 601 Q CB 0.578 29.308 28.738 -0.014 0.000 1.280 601 Q HN 0.210 nan 8.270 nan 0.000 0.513 602 D N 1.259 121.674 120.400 0.025 0.000 2.313 602 D HA 0.434 5.074 4.640 0.000 0.000 0.239 602 D C -0.506 175.900 176.300 0.178 0.000 1.142 602 D CA 0.023 54.074 54.000 0.085 0.000 0.847 602 D CB 0.958 41.769 40.800 0.017 0.000 1.082 602 D HN 0.329 nan 8.370 nan 0.000 0.480 603 I N 1.565 122.240 120.570 0.176 0.000 2.336 603 I HA 0.158 4.328 4.170 0.000 0.000 0.292 603 I C 0.755 176.903 176.117 0.052 0.000 0.991 603 I CA -0.806 60.558 61.300 0.107 0.000 1.227 603 I CB 1.452 39.476 38.000 0.039 0.000 1.366 603 I HN -0.053 nan 8.210 nan 0.000 0.466 604 K N 5.921 126.287 120.400 -0.056 0.000 2.338 604 K HA 0.576 4.896 4.320 0.000 0.000 0.290 604 K C -0.519 175.952 176.600 -0.215 0.000 1.069 604 K CA -0.045 56.030 56.287 -0.353 0.000 0.941 604 K CB 0.539 32.886 32.500 -0.255 0.000 1.023 604 K HN 0.824 nan 8.250 nan 0.000 0.477 605 A N 3.791 126.472 122.820 -0.231 0.000 2.443 605 A HA 0.815 5.135 4.320 0.000 0.000 0.278 605 A C -1.527 176.010 177.584 -0.079 0.000 1.252 605 A CA -0.908 51.070 52.037 -0.099 0.000 0.816 605 A CB 0.903 19.871 19.000 -0.053 0.000 1.369 605 A HN 0.631 nan 8.150 nan 0.000 0.446 606 L N -2.274 118.949 121.223 0.000 0.000 2.545 606 L HA 0.890 5.230 4.340 0.000 0.000 0.258 606 L C -0.763 176.170 176.870 0.105 0.000 0.942 606 L CA -0.612 54.228 54.840 0.000 0.000 0.855 606 L CB 0.977 43.030 42.059 -0.009 0.000 1.374 606 L HN 0.948 nan 8.230 nan 0.000 0.411 607 F N 0.241 120.207 119.950 0.027 0.000 2.639 607 F HA 1.013 5.540 4.527 0.000 0.000 0.339 607 F C -0.943 174.901 175.800 0.074 0.000 1.071 607 F CA -1.450 56.583 58.000 0.055 0.000 0.994 607 F CB 1.639 40.657 39.000 0.031 0.000 1.341 607 F HN 0.283 nan 8.300 nan 0.000 0.498 608 V N 1.417 121.530 119.914 0.331 0.000 2.409 608 V HA 0.585 4.705 4.120 0.000 0.000 0.291 608 V C -0.504 175.729 176.094 0.232 0.000 1.020 608 V CA -0.531 61.856 62.300 0.145 0.000 0.848 608 V CB 0.654 32.543 31.823 0.111 0.000 0.990 608 V HN 0.914 nan 8.190 nan 0.000 0.430 609 S N 3.010 118.775 115.700 0.109 0.000 2.513 609 S HA 0.516 4.986 4.470 0.000 0.000 0.299 609 S C -0.686 173.943 174.600 0.049 0.000 1.087 609 S CA -0.617 57.677 58.200 0.157 0.000 1.012 609 S CB 1.665 64.996 63.200 0.219 0.000 1.044 609 S HN 0.903 nan 8.310 nan 0.000 0.485 610 E N 2.721 122.955 120.200 0.056 0.000 2.115 610 E HA 0.250 4.601 4.350 0.000 0.000 0.282 610 E C -0.971 175.647 176.600 0.031 0.000 0.987 610 E CA -0.163 56.250 56.400 0.021 0.000 0.797 610 E CB 0.540 30.256 29.700 0.028 0.000 1.086 610 E HN 0.600 nan 8.360 nan 0.000 0.397 611 E N 4.475 124.684 120.200 0.015 0.000 2.489 611 E HA 0.127 4.477 4.350 0.000 0.000 0.232 611 E C -1.124 175.485 176.600 0.014 0.000 0.990 611 E CA -0.276 56.135 56.400 0.020 0.000 0.768 611 E CB 0.875 30.585 29.700 0.018 0.000 1.270 611 E HN 0.604 nan 8.360 nan 0.000 0.423 612 E N 2.411 122.623 120.200 0.019 0.000 2.264 612 E HA -0.237 4.113 4.350 0.000 0.000 0.223 612 E C -0.567 176.044 176.600 0.018 0.000 1.220 612 E CA 0.376 56.788 56.400 0.019 0.000 0.692 612 E CB -0.975 28.734 29.700 0.016 0.000 1.203 612 E HN 0.629 nan 8.360 nan 0.000 0.384 613 K N -1.607 118.807 120.400 0.023 0.000 3.274 613 K HA -0.263 4.057 4.320 0.000 0.000 0.300 613 K C -0.215 176.396 176.600 0.019 0.000 1.230 613 K CA 1.459 57.765 56.287 0.032 0.000 0.884 613 K CB -0.714 31.808 32.500 0.038 0.000 1.242 613 K HN 0.281 nan 8.250 nan 0.000 0.467 614 K N 0.813 121.210 120.400 -0.006 0.000 2.378 614 K HA 0.458 4.778 4.320 0.000 0.000 0.252 614 K C -0.461 176.094 176.600 -0.075 0.000 0.931 614 K CA -0.717 55.549 56.287 -0.035 0.000 0.794 614 K CB 1.555 34.041 32.500 -0.022 0.000 1.181 614 K HN -0.031 nan 8.250 nan 0.000 0.425 615 L N 2.438 123.576 121.223 -0.142 0.000 2.275 615 L HA 0.401 4.741 4.340 0.000 0.000 0.288 615 L C -0.170 176.612 176.870 -0.147 0.000 1.046 615 L CA -0.319 54.410 54.840 -0.185 0.000 0.805 615 L CB 1.571 43.418 42.059 -0.354 0.000 1.193 615 L HN 0.602 nan 8.230 nan 0.000 0.426 616 T N 2.643 117.126 114.554 -0.118 0.000 2.893 616 T HA 0.384 4.734 4.350 0.000 0.000 0.293 616 T C -0.208 174.410 174.700 -0.137 0.000 1.027 616 T CA -0.746 61.288 62.100 -0.110 0.000 0.988 616 T CB 1.663 70.482 68.868 -0.082 0.000 1.043 616 T HN 0.442 nan 8.240 nan 0.000 0.461 617 R N 2.705 123.128 120.500 -0.129 0.000 2.248 617 R HA 0.243 4.583 4.340 0.000 0.000 0.337 617 R C -0.109 176.060 176.300 -0.219 0.000 1.085 617 R CA -0.589 55.423 56.100 -0.147 0.000 0.934 617 R CB 0.360 30.619 30.300 -0.069 0.000 1.034 617 R HN 0.150 nan 8.270 nan 0.000 0.465 618 K N 2.781 122.925 120.400 -0.428 0.000 2.276 618 K HA 0.088 4.409 4.320 0.000 0.000 0.285 618 K C -0.133 176.216 176.600 -0.418 0.000 1.062 618 K CA -0.238 55.745 56.287 -0.506 0.000 0.918 618 K CB 1.332 33.285 32.500 -0.912 0.000 1.055 618 K HN 0.518 nan 8.250 nan 0.000 0.477 619 E N 2.803 122.883 120.200 -0.199 0.000 2.130 619 E HA 0.228 4.578 4.350 0.000 0.000 0.284 619 E C -0.426 176.139 176.600 -0.059 0.000 1.018 619 E CA -0.629 55.693 56.400 -0.130 0.000 0.817 619 E CB 0.738 30.383 29.700 -0.093 0.000 1.078 619 E HN 0.370 nan 8.360 nan 0.000 0.396 620 V N 1.841 121.724 119.914 -0.052 0.000 3.158 620 V HA 0.601 4.722 4.120 0.000 0.000 0.315 620 V C -1.289 174.751 176.094 -0.089 0.000 1.148 620 V CA -0.844 61.498 62.300 0.070 0.000 1.042 620 V CB 1.274 33.225 31.823 0.215 0.000 1.101 620 V HN 0.573 nan 8.190 nan 0.000 0.448 621 Y N 0.694 121.050 120.300 0.093 0.000 2.350 621 Y HA 0.645 5.195 4.550 0.000 0.000 0.338 621 Y C 0.227 176.151 175.900 0.040 0.000 0.961 621 Y CA -0.654 57.487 58.100 0.069 0.000 1.100 621 Y CB 1.881 40.388 38.460 0.078 0.000 1.179 621 Y HN 0.536 nan 8.280 nan 0.000 0.454 622 I N 5.560 126.216 120.570 0.143 0.000 2.406 622 I HA 0.085 4.255 4.170 0.000 0.000 0.293 622 I C -0.326 175.844 176.117 0.089 0.000 1.101 622 I CA -0.555 60.801 61.300 0.093 0.000 1.334 622 I CB 0.165 38.199 38.000 0.057 0.000 1.421 622 I HN 0.332 nan 8.210 nan 0.000 0.513 623 K N 5.573 126.008 120.400 0.057 0.000 2.237 623 K HA 0.045 4.365 4.320 0.000 0.000 0.283 623 K C 0.230 176.844 176.600 0.024 0.000 1.080 623 K CA 0.166 56.469 56.287 0.027 0.000 0.965 623 K CB -0.099 32.398 32.500 -0.006 0.000 1.098 623 K HN 0.450 nan 8.250 nan 0.000 0.434 624 N N 1.111 119.823 118.700 0.021 0.000 2.170 624 N HA 0.093 4.833 4.740 0.000 0.000 0.222 624 N C 0.505 176.015 175.510 0.000 0.000 1.218 624 N CA -0.010 53.048 53.050 0.013 0.000 0.889 624 N CB 0.800 39.291 38.487 0.008 0.000 1.083 624 N HN 0.537 nan 8.380 nan 0.000 0.520 625 G N -0.224 108.573 108.800 -0.005 0.000 3.392 625 G HA2 0.050 4.010 3.960 0.000 0.000 0.188 625 G HA3 0.050 4.010 3.960 0.000 0.000 0.188 625 G C 0.484 175.376 174.900 -0.014 0.000 1.485 625 G CA 0.300 45.392 45.100 -0.014 0.000 0.943 625 G HN 0.309 nan 8.290 nan 0.000 0.627 626 D N 0.148 120.535 120.400 -0.022 0.000 2.264 626 D HA -0.061 4.579 4.640 0.000 0.000 0.208 626 D C 1.655 177.943 176.300 -0.020 0.000 0.966 626 D CA 0.762 54.750 54.000 -0.020 0.000 0.864 626 D CB -0.045 40.739 40.800 -0.026 0.000 0.933 626 D HN 0.400 nan 8.370 nan 0.000 0.499 627 K N 0.261 120.645 120.400 -0.027 0.000 2.426 627 K HA 0.023 4.343 4.320 0.000 0.000 0.193 627 K C 2.019 178.613 176.600 -0.010 0.000 1.028 627 K CA 0.038 56.308 56.287 -0.028 0.000 1.047 627 K CB 0.284 32.753 32.500 -0.051 0.000 0.821 627 K HN 0.079 nan 8.250 nan 0.000 0.513 628 K N 1.139 121.539 120.400 0.000 0.000 2.147 628 K HA -0.115 4.205 4.320 0.000 0.000 0.205 628 K C 1.963 178.582 176.600 0.032 0.000 1.049 628 K CA 1.429 57.727 56.287 0.017 0.000 0.936 628 K CB -0.138 32.376 32.500 0.024 0.000 0.722 628 K HN 0.181 nan 8.250 nan 0.000 0.446 629 G N 0.410 109.225 108.800 0.025 0.000 2.418 629 G HA2 -0.280 3.680 3.960 0.000 0.000 0.217 629 G HA3 -0.280 3.680 3.960 0.000 0.000 0.217 629 G C 1.521 176.444 174.900 0.038 0.000 1.158 629 G CA 1.086 46.205 45.100 0.032 0.000 0.771 629 G HN 0.504 nan 8.290 nan 0.000 0.545 630 S N -1.031 114.686 115.700 0.028 0.000 2.470 630 S HA -0.083 4.387 4.470 0.000 0.000 0.225 630 S C 2.297 176.924 174.600 0.045 0.000 1.006 630 S CA 1.140 59.361 58.200 0.036 0.000 0.934 630 S CB -0.643 62.572 63.200 0.025 0.000 0.778 630 S HN 0.356 nan 8.310 nan 0.000 0.517 631 c N 2.027 120.644 118.600 0.027 0.000 2.453 631 c HA 0.042 4.612 4.570 0.000 0.000 0.277 631 c C 2.641 176.767 174.090 0.060 0.000 1.262 631 c CA 1.332 57.660 56.329 -0.002 0.000 1.718 631 c CB -1.283 41.197 42.510 -0.049 0.000 2.031 631 c HN 0.725 nan 8.230 nan 0.000 0.480 632 E N -0.060 120.222 120.200 0.137 0.000 2.106 632 E HA -0.168 4.183 4.350 0.000 0.000 0.192 632 E C 2.309 179.028 176.600 0.199 0.000 0.984 632 E CA 0.946 57.512 56.400 0.277 0.000 0.806 632 E CB -0.213 29.613 29.700 0.209 0.000 0.750 632 E HN 0.605 nan 8.360 nan 0.000 0.458 633 R N 0.963 121.523 120.500 0.100 0.000 2.200 633 R HA -0.123 4.217 4.340 0.000 0.000 0.234 633 R C 0.954 177.236 176.300 -0.029 0.000 1.127 633 R CA 0.923 57.039 56.100 0.027 0.000 0.989 633 R CB -0.096 30.217 30.300 0.022 0.000 0.869 633 R HN 0.128 nan 8.270 nan 0.000 0.459 634 D N 0.299 120.752 120.400 0.089 0.000 2.371 634 D HA 0.001 4.641 4.640 0.000 0.000 0.234 634 D C 1.319 177.714 176.300 0.158 0.000 1.049 634 D CA 0.391 54.478 54.000 0.144 0.000 0.907 634 D CB 0.216 41.181 40.800 0.276 0.000 0.891 634 D HN 0.248 nan 8.370 nan 0.000 0.531 635 A N 0.909 123.820 122.820 0.151 0.000 1.968 635 A HA -0.181 4.139 4.320 0.000 0.000 0.217 635 A C 2.002 179.715 177.584 0.215 0.000 1.169 635 A CA 0.857 53.060 52.037 0.277 0.000 0.638 635 A CB -0.398 18.709 19.000 0.179 0.000 0.812 635 A HN 0.347 nan 8.150 nan 0.000 0.446 636 Q N -1.908 117.840 119.800 -0.087 0.000 2.482 636 Q HA -0.036 4.304 4.340 0.000 0.000 0.209 636 Q C 0.709 176.686 176.000 -0.039 0.000 0.961 636 Q CA 0.725 56.482 55.803 -0.077 0.000 0.945 636 Q CB -0.348 28.275 28.738 -0.192 0.000 1.012 636 Q HN 0.685 nan 8.270 nan 0.000 0.515 637 Y N 0.865 121.261 120.300 0.160 0.000 2.510 637 Y HA 0.384 4.934 4.550 0.000 0.000 0.273 637 Y C 1.166 177.149 175.900 0.137 0.000 1.119 637 Y CA -0.792 57.368 58.100 0.099 0.000 1.286 637 Y CB -0.149 38.324 38.460 0.021 0.000 1.061 637 Y HN 0.163 nan 8.280 nan 0.000 0.542 638 A N 1.891 124.884 122.820 0.288 0.000 2.462 638 A HA 0.309 4.629 4.320 0.000 0.000 0.243 638 A C -2.289 175.274 177.584 -0.034 0.000 1.076 638 A CA -1.290 50.840 52.037 0.156 0.000 0.773 638 A CB -0.419 18.697 19.000 0.194 0.000 1.010 638 A HN -0.002 nan 8.150 nan 0.000 0.493 639 P HA 0.192 nan 4.420 nan 0.000 0.263 639 P C 1.188 178.340 177.300 -0.246 0.000 1.175 639 P CA 1.955 64.998 63.100 -0.095 0.000 0.761 639 P CB 0.558 32.222 31.700 -0.061 0.000 0.794 640 G N 2.195 110.918 108.800 -0.128 0.000 2.336 640 G HA2 -0.320 3.640 3.960 0.000 0.000 0.233 640 G HA3 -0.320 3.640 3.960 0.000 0.000 0.233 640 G C 0.481 175.410 174.900 0.048 0.000 1.053 640 G CA -0.246 44.792 45.100 -0.104 0.000 0.625 640 G HN 0.450 nan 8.290 nan 0.000 0.511 641 Y N 2.390 122.677 120.300 -0.021 0.000 2.496 641 Y HA 0.294 4.844 4.550 0.000 0.000 0.313 641 Y C 1.783 177.672 175.900 -0.019 0.000 1.184 641 Y CA -0.449 57.628 58.100 -0.038 0.000 1.275 641 Y CB -0.414 38.017 38.460 -0.048 0.000 1.103 641 Y HN 0.197 nan 8.280 nan 0.000 0.513 642 D N 0.199 120.678 120.400 0.130 0.000 2.351 642 D HA -0.123 4.518 4.640 0.000 0.000 0.216 642 D C 1.357 177.691 176.300 0.056 0.000 0.968 642 D CA 1.146 55.197 54.000 0.085 0.000 0.899 642 D CB 0.160 40.995 40.800 0.059 0.000 0.907 642 D HN 0.380 nan 8.370 nan 0.000 0.514 643 K N -0.391 120.038 120.400 0.049 0.000 2.358 643 K HA 0.155 4.475 4.320 0.000 0.000 0.200 643 K C 0.186 176.775 176.600 -0.017 0.000 1.030 643 K CA -0.128 56.166 56.287 0.012 0.000 1.097 643 K CB 1.572 34.073 32.500 0.002 0.000 0.862 643 K HN -0.079 nan 8.250 nan 0.000 0.534 644 V N 3.171 123.074 119.914 -0.020 0.000 2.572 644 V HA -0.023 4.097 4.120 0.000 0.000 0.291 644 V C 1.078 177.128 176.094 -0.074 0.000 1.039 644 V CA 0.453 62.700 62.300 -0.089 0.000 1.055 644 V CB 0.997 32.722 31.823 -0.164 0.000 0.969 644 V HN 0.263 nan 8.190 nan 0.000 0.482 645 K N 2.384 122.733 120.400 -0.085 0.000 2.216 645 K HA 0.182 4.502 4.320 0.000 0.000 0.207 645 K C 0.109 176.668 176.600 -0.068 0.000 1.041 645 K CA -0.051 56.198 56.287 -0.064 0.000 0.966 645 K CB 0.271 32.738 32.500 -0.055 0.000 0.955 645 K HN 0.559 nan 8.250 nan 0.000 0.468 646 D N 1.552 121.905 120.400 -0.078 0.000 2.349 646 D HA 0.126 4.766 4.640 0.000 0.000 0.232 646 D C 0.945 177.193 176.300 -0.086 0.000 1.071 646 D CA -0.422 53.536 54.000 -0.068 0.000 0.832 646 D CB 1.423 42.190 40.800 -0.054 0.000 1.086 646 D HN 0.169 nan 8.370 nan 0.000 0.504 647 I N 1.549 122.072 120.570 -0.078 0.000 2.657 647 I HA -0.196 3.974 4.170 0.000 0.000 0.261 647 I C 1.517 177.600 176.117 -0.057 0.000 1.212 647 I CA 1.119 62.367 61.300 -0.087 0.000 1.453 647 I CB -0.238 37.729 38.000 -0.056 0.000 1.092 647 I HN 0.202 nan 8.210 nan 0.000 0.452 648 S N 0.750 116.431 115.700 -0.032 0.000 2.469 648 S HA -0.165 4.305 4.470 0.000 0.000 0.238 648 S C 1.595 176.191 174.600 -0.007 0.000 0.998 648 S CA 1.204 59.404 58.200 0.001 0.000 0.957 648 S CB -0.594 62.606 63.200 0.001 0.000 0.764 648 S HN 0.704 nan 8.310 nan 0.000 0.514 649 E N 0.894 121.051 120.200 -0.072 0.000 2.077 649 E HA -0.089 4.262 4.350 0.000 0.000 0.193 649 E C 2.127 178.670 176.600 -0.094 0.000 0.989 649 E CA 1.629 57.951 56.400 -0.130 0.000 0.800 649 E CB -0.195 29.383 29.700 -0.205 0.000 0.746 649 E HN 0.696 nan 8.360 nan 0.000 0.452 650 V N -2.620 117.224 119.914 -0.117 0.000 3.645 650 V HA 0.191 4.311 4.120 0.000 0.000 0.275 650 V C 0.575 176.724 176.094 0.092 0.000 1.356 650 V CA -0.373 61.881 62.300 -0.077 0.000 1.051 650 V CB 0.775 32.219 31.823 -0.632 0.000 0.828 650 V HN -0.134 nan 8.190 nan 0.000 0.441 651 V N 3.344 123.312 119.914 0.089 0.000 2.311 651 V HA 0.566 4.686 4.120 0.000 0.000 0.275 651 V C 0.522 176.803 176.094 0.311 0.000 1.022 651 V CA 0.504 62.921 62.300 0.194 0.000 0.830 651 V CB 0.896 32.738 31.823 0.033 0.000 1.012 651 V HN 0.697 nan 8.190 nan 0.000 0.452 652 T N 2.767 117.616 114.554 0.492 0.000 2.948 652 T HA 0.494 4.844 4.350 0.000 0.000 0.285 652 T C -2.117 172.613 174.700 0.050 0.000 1.019 652 T CA -2.267 59.927 62.100 0.158 0.000 1.013 652 T CB 1.891 70.746 68.868 -0.022 0.000 1.117 652 T HN 0.337 nan 8.240 nan 0.000 0.533 653 P HA 0.172 nan 4.420 nan 0.000 0.244 653 P C 0.864 178.086 177.300 -0.131 0.000 1.211 653 P CA 0.304 63.382 63.100 -0.038 0.000 0.760 653 P CB 0.001 31.686 31.700 -0.025 0.000 0.961 654 R N -1.818 118.474 120.500 -0.347 0.000 2.254 654 R HA 0.173 4.513 4.340 0.000 0.000 0.195 654 R C 0.286 176.356 176.300 -0.383 0.000 0.957 654 R CA 0.210 56.015 56.100 -0.492 0.000 1.024 654 R CB -0.123 29.634 30.300 -0.907 0.000 0.952 654 R HN 0.130 nan 8.270 nan 0.000 0.484 655 F N 0.522 120.480 119.950 0.015 0.000 2.394 655 F HA 0.351 4.878 4.527 0.000 0.000 0.340 655 F C 0.508 176.373 175.800 0.107 0.000 1.105 655 F CA -0.868 57.181 58.000 0.082 0.000 1.124 655 F CB 0.676 39.748 39.000 0.121 0.000 1.145 655 F HN -0.233 nan 8.300 nan 0.000 0.505 656 L N 1.964 123.383 121.223 0.327 0.000 2.365 656 L HA 0.598 4.939 4.340 0.000 0.000 0.267 656 L C -0.667 176.310 176.870 0.179 0.000 1.033 656 L CA -0.829 54.149 54.840 0.230 0.000 0.802 656 L CB 1.870 44.053 42.059 0.207 0.000 1.267 656 L HN 0.632 nan 8.230 nan 0.000 0.457 657 c N 0.903 119.545 118.600 0.070 0.000 2.481 657 c HA 0.738 5.308 4.570 0.000 0.000 0.324 657 c C 0.121 174.151 174.090 -0.099 0.000 1.170 657 c CA -0.167 56.052 56.329 -0.182 0.000 1.361 657 c CB 0.818 43.191 42.510 -0.227 0.000 1.977 657 c HN 0.927 nan 8.230 nan 0.000 0.459 658 T N 2.216 116.677 114.554 -0.154 0.000 2.831 658 T HA 0.963 5.313 4.350 0.000 0.000 0.287 658 T C 0.176 174.810 174.700 -0.110 0.000 1.070 658 T CA 0.366 62.455 62.100 -0.019 0.000 1.010 658 T CB 1.201 70.171 68.868 0.169 0.000 1.264 658 T HN 2.548 nan 8.240 nan 0.000 0.532 659 G N -1.336 107.461 108.800 -0.005 0.000 2.710 659 G HA2 0.481 4.442 3.960 0.000 0.000 0.668 659 G HA3 0.481 4.442 3.960 0.000 0.000 0.668 659 G C 0.288 175.170 174.900 -0.031 0.000 1.320 659 G CA 0.180 45.266 45.100 -0.022 0.000 0.860 659 G HN 2.810 nan 8.290 nan 0.000 0.538 660 G N -2.868 105.915 108.800 -0.027 0.000 2.582 660 G HA2 0.374 4.334 3.960 0.000 0.000 0.222 660 G HA3 0.374 4.334 3.960 0.000 0.000 0.222 660 G C 0.637 175.533 174.900 -0.006 0.000 1.311 660 G CA 1.317 46.403 45.100 -0.025 0.000 0.915 660 G HN 2.471 nan 8.290 nan 0.000 0.528 661 V N -3.769 116.133 119.914 -0.019 0.000 2.909 661 V HA 0.772 4.892 4.120 0.000 0.000 0.362 661 V C 0.310 176.361 176.094 -0.071 0.000 1.356 661 V CA 0.827 63.114 62.300 -0.023 0.000 1.195 661 V CB 0.365 32.179 31.823 -0.014 0.000 1.256 661 V HN 1.995 nan 8.190 nan 0.000 0.567 662 S N 0.989 116.626 115.700 -0.106 0.000 2.649 662 S HA 0.655 5.125 4.470 0.000 0.000 0.274 662 S C -2.323 172.130 174.600 -0.245 0.000 1.176 662 S CA -0.519 57.566 58.200 -0.192 0.000 0.988 662 S CB 2.411 65.530 63.200 -0.135 0.000 1.071 662 S HN 0.199 nan 8.310 nan 0.000 0.478 663 P HA 0.125 nan 4.420 nan 0.000 0.218 663 P C -0.626 176.172 177.300 -0.837 0.000 1.152 663 P CA 1.088 63.726 63.100 -0.771 0.000 0.826 663 P CB 0.023 30.977 31.700 -1.243 0.000 0.790 664 Y N -1.566 118.593 120.300 -0.234 0.000 2.630 664 Y HA 0.667 5.217 4.550 0.000 0.000 0.337 664 Y C 0.381 176.243 175.900 -0.062 0.000 1.051 664 Y CA -2.270 55.736 58.100 -0.158 0.000 1.121 664 Y CB 0.312 38.670 38.460 -0.170 0.000 1.299 664 Y HN -0.284 nan 8.280 nan 0.000 0.498 665 A N 1.457 124.362 122.820 0.141 0.000 2.395 665 A HA 0.292 4.612 4.320 0.000 0.000 0.286 665 A C -0.752 176.912 177.584 0.133 0.000 1.193 665 A CA -0.407 51.688 52.037 0.096 0.000 0.852 665 A CB -0.686 18.355 19.000 0.068 0.000 1.118 665 A HN 0.606 nan 8.150 nan 0.000 0.524 666 D N 4.007 124.486 120.400 0.131 0.000 2.210 666 D HA 0.415 5.055 4.640 0.000 0.000 0.249 666 D C -2.085 174.294 176.300 0.131 0.000 1.062 666 D CA -0.982 53.115 54.000 0.162 0.000 0.891 666 D CB 1.233 42.146 40.800 0.188 0.000 1.186 666 D HN 0.359 nan 8.370 nan 0.000 0.432 667 P HA 0.103 nan 4.420 nan 0.000 0.270 667 P C -0.700 176.746 177.300 0.243 0.000 1.223 667 P CA -0.296 62.898 63.100 0.157 0.000 0.785 667 P CB 0.881 32.649 31.700 0.113 0.000 0.923 668 N N -0.931 117.897 118.700 0.213 0.000 2.404 668 N HA 0.386 5.126 4.740 0.000 0.000 0.297 668 N C 0.108 175.719 175.510 0.169 0.000 1.163 668 N CA -0.540 52.597 53.050 0.146 0.000 0.864 668 N CB 0.785 39.291 38.487 0.032 0.000 1.247 668 N HN 0.428 nan 8.380 nan 0.000 0.510 669 T N -2.148 112.336 114.554 -0.116 0.000 2.732 669 T HA 0.495 4.845 4.350 0.000 0.000 0.287 669 T C 0.080 174.755 174.700 -0.041 0.000 0.993 669 T CA -0.327 61.632 62.100 -0.236 0.000 0.966 669 T CB 0.198 68.802 68.868 -0.441 0.000 1.047 669 T HN 0.447 nan 8.240 nan 0.000 0.527 670 c N -0.289 118.307 118.600 -0.007 0.000 2.973 670 c HA 0.566 5.136 4.570 0.000 0.000 0.329 670 c C 2.150 176.259 174.090 0.031 0.000 1.327 670 c CA -0.957 55.389 56.329 0.029 0.000 1.632 670 c CB 1.677 44.225 42.510 0.063 0.000 2.098 670 c HN 1.059 nan 8.230 nan 0.000 0.469 671 R N 0.715 121.243 120.500 0.047 0.000 2.096 671 R HA -0.058 4.282 4.340 0.000 0.000 0.235 671 R C 1.997 178.342 176.300 0.075 0.000 1.127 671 R CA 1.671 57.813 56.100 0.070 0.000 0.968 671 R CB -0.534 29.807 30.300 0.069 0.000 0.861 671 R HN 0.934 nan 8.270 nan 0.000 0.440 672 G N 0.495 109.335 108.800 0.066 0.000 2.534 672 G HA2 -0.172 3.788 3.960 0.000 0.000 0.217 672 G HA3 -0.172 3.788 3.960 0.000 0.000 0.217 672 G C 0.632 175.580 174.900 0.080 0.000 1.128 672 G CA 0.516 45.657 45.100 0.069 0.000 0.784 672 G HN 0.210 nan 8.290 nan 0.000 0.542 673 D N -0.150 120.299 120.400 0.081 0.000 2.366 673 D HA 0.107 4.747 4.640 0.000 0.000 0.205 673 D C 1.208 177.557 176.300 0.082 0.000 1.022 673 D CA 0.044 54.100 54.000 0.093 0.000 0.868 673 D CB 0.181 41.035 40.800 0.090 0.000 0.953 673 D HN 0.090 nan 8.370 nan 0.000 0.514 674 S N -0.539 115.212 115.700 0.086 0.000 2.575 674 S HA 0.274 4.744 4.470 0.000 0.000 0.295 674 S C 1.464 176.151 174.600 0.145 0.000 1.267 674 S CA 1.100 59.384 58.200 0.140 0.000 1.074 674 S CB 0.195 63.530 63.200 0.224 0.000 0.829 674 S HN 0.503 nan 8.310 nan 0.000 0.497 675 G N 3.291 112.204 108.800 0.188 0.000 2.254 675 G HA2 -0.178 3.783 3.960 0.000 0.000 0.225 675 G HA3 -0.178 3.783 3.960 0.000 0.000 0.225 675 G C 0.563 175.575 174.900 0.186 0.000 1.003 675 G CA 0.077 45.286 45.100 0.181 0.000 0.622 675 G HN 1.231 nan 8.290 nan 0.000 0.507 676 G N 0.955 109.857 108.800 0.171 0.000 2.699 676 G HA2 0.486 4.446 3.960 0.000 0.000 0.246 676 G HA3 0.486 4.446 3.960 0.000 0.000 0.246 676 G C -2.148 172.867 174.900 0.192 0.000 1.219 676 G CA -0.006 45.209 45.100 0.192 0.000 0.866 676 G HN 0.359 nan 8.290 nan 0.000 0.572 677 P HA 0.250 nan 4.420 nan 0.000 0.284 677 P C -0.613 176.769 177.300 0.136 0.000 1.253 677 P CA -0.646 62.550 63.100 0.161 0.000 0.800 677 P CB 1.384 33.175 31.700 0.151 0.000 0.961 678 L N 4.831 126.084 121.223 0.050 0.000 2.264 678 L HA 0.429 4.770 4.340 0.000 0.000 0.287 678 L C -0.855 176.015 176.870 0.001 0.000 1.039 678 L CA -0.185 54.640 54.840 -0.026 0.000 0.829 678 L CB -0.569 41.334 42.059 -0.260 0.000 1.211 678 L HN 0.230 nan 8.230 nan 0.000 0.427 679 I N 4.800 125.395 120.570 0.041 0.000 2.498 679 I HA 0.457 4.627 4.170 0.000 0.000 0.301 679 I C -0.487 175.645 176.117 0.026 0.000 0.984 679 I CA -0.966 60.348 61.300 0.023 0.000 1.204 679 I CB 1.938 39.970 38.000 0.054 0.000 1.362 679 I HN 0.204 nan 8.210 nan 0.000 0.471 680 V N 3.852 123.770 119.914 0.007 0.000 2.417 680 V HA 0.190 4.310 4.120 0.000 0.000 0.291 680 V C -0.601 175.478 176.094 -0.025 0.000 1.024 680 V CA -0.573 61.723 62.300 -0.007 0.000 0.861 680 V CB 1.396 33.211 31.823 -0.013 0.000 0.985 680 V HN 0.604 nan 8.190 nan 0.000 0.436 681 H N 4.628 123.583 119.070 -0.192 0.000 2.702 681 H HA 0.469 5.025 4.556 0.000 0.000 0.252 681 H C -0.234 174.915 175.328 -0.298 0.000 1.493 681 H CA -0.208 55.612 56.048 -0.379 0.000 1.273 681 H CB 0.219 29.741 29.762 -0.401 0.000 1.537 681 H HN 0.572 nan 8.280 nan 0.000 0.547 682 K N 2.190 122.387 120.400 -0.337 0.000 2.207 682 K HA 0.361 4.681 4.320 0.000 0.000 0.255 682 K C -0.018 176.399 176.600 -0.305 0.000 0.941 682 K CA -0.825 55.279 56.287 -0.304 0.000 0.825 682 K CB 0.741 33.141 32.500 -0.167 0.000 1.119 682 K HN 0.476 nan 8.250 nan 0.000 0.430 683 R N 2.101 122.441 120.500 -0.266 0.000 3.251 683 R HA -0.189 4.151 4.340 0.000 0.000 0.249 683 R C -0.594 175.601 176.300 -0.175 0.000 0.949 683 R CA 0.974 56.966 56.100 -0.180 0.000 0.645 683 R CB -3.058 27.154 30.300 -0.146 0.000 1.065 683 R HN 0.922 nan 8.270 nan 0.000 0.452 684 S N -1.676 113.859 115.700 -0.274 0.000 3.476 684 S HA -0.210 4.260 4.470 0.000 0.000 0.309 684 S C 0.237 174.835 174.600 -0.004 0.000 1.222 684 S CA 1.732 59.865 58.200 -0.111 0.000 0.922 684 S CB -0.404 62.818 63.200 0.037 0.000 1.023 684 S HN 0.521 nan 8.310 nan 0.000 0.591 685 R N -1.079 119.338 120.500 -0.138 0.000 2.836 685 R HA 0.600 4.940 4.340 0.000 0.000 0.269 685 R C -1.219 174.974 176.300 -0.178 0.000 1.010 685 R CA -0.583 55.505 56.100 -0.020 0.000 0.930 685 R CB 0.846 31.143 30.300 -0.006 0.000 1.218 685 R HN 0.171 nan 8.270 nan 0.000 0.473 686 F N 1.593 121.543 119.950 -0.000 0.000 2.347 686 F HA 0.460 4.987 4.527 0.000 0.000 0.366 686 F C 0.151 175.800 175.800 -0.251 0.000 1.107 686 F CA -0.718 57.194 58.000 -0.148 0.000 1.058 686 F CB 0.946 39.701 39.000 -0.408 0.000 1.236 686 F HN 0.147 nan 8.300 nan 0.000 0.456 687 I N 2.660 123.192 120.570 -0.063 0.000 2.354 687 I HA 0.210 4.380 4.170 0.000 0.000 0.292 687 I C -0.066 175.997 176.117 -0.089 0.000 0.989 687 I CA -0.537 60.709 61.300 -0.090 0.000 1.188 687 I CB 1.585 39.551 38.000 -0.057 0.000 1.342 687 I HN 0.533 nan 8.210 nan 0.000 0.457 688 Q N 5.419 125.146 119.800 -0.122 0.000 2.296 688 Q HA 0.258 4.598 4.340 0.000 0.000 0.262 688 Q C 0.425 176.414 176.000 -0.019 0.000 0.981 688 Q CA -0.267 55.489 55.803 -0.079 0.000 0.905 688 Q CB 1.272 29.957 28.738 -0.088 0.000 1.186 688 Q HN 0.730 nan 8.270 nan 0.000 0.399 689 V N 0.715 120.647 119.914 0.030 0.000 3.635 689 V HA 0.565 4.685 4.120 0.000 0.000 0.266 689 V C 0.431 176.596 176.094 0.119 0.000 1.316 689 V CA 0.644 63.009 62.300 0.107 0.000 1.060 689 V CB 0.516 32.437 31.823 0.163 0.000 0.820 689 V HN 0.652 nan 8.190 nan 0.000 0.447 690 G N -0.707 108.140 108.800 0.079 0.000 2.682 690 G HA2 0.604 4.564 3.960 0.000 0.000 0.290 690 G HA3 0.604 4.564 3.960 0.000 0.000 0.290 690 G C -1.942 173.029 174.900 0.118 0.000 1.425 690 G CA -0.471 44.694 45.100 0.109 0.000 0.807 690 G HN 0.186 nan 8.290 nan 0.000 0.482 691 V N 1.117 121.138 119.914 0.178 0.000 2.487 691 V HA 0.357 4.477 4.120 0.000 0.000 0.298 691 V C 0.223 176.478 176.094 0.268 0.000 1.028 691 V CA -0.618 61.805 62.300 0.204 0.000 0.860 691 V CB 1.503 33.454 31.823 0.213 0.000 0.991 691 V HN 0.638 nan 8.190 nan 0.000 0.427 692 I N 3.787 124.513 120.570 0.261 0.000 2.664 692 I HA 0.030 4.200 4.170 0.000 0.000 0.284 692 I C 1.187 177.431 176.117 0.212 0.000 1.154 692 I CA 0.841 62.318 61.300 0.295 0.000 1.402 692 I CB 0.814 38.905 38.000 0.152 0.000 1.395 692 I HN 0.781 nan 8.210 nan 0.000 0.545 693 S N 7.824 123.585 115.700 0.103 0.000 2.860 693 S HA 0.312 4.782 4.470 0.000 0.000 0.181 693 S C -0.318 174.223 174.600 -0.098 0.000 0.763 693 S CA -0.322 57.950 58.200 0.120 0.000 0.829 693 S CB 0.479 63.841 63.200 0.271 0.000 0.793 693 S HN 0.687 nan 8.310 nan 0.000 0.614 694 W N 0.791 121.836 121.300 -0.424 0.000 2.992 694 W HA 0.784 5.444 4.660 0.000 0.000 0.342 694 W C -0.314 176.046 176.519 -0.265 0.000 1.176 694 W CA -1.096 55.937 57.345 -0.520 0.000 1.118 694 W CB 0.378 29.267 29.460 -0.952 0.000 1.457 694 W HN 0.517 nan 8.180 nan 0.000 0.573 695 G N -0.227 108.582 108.800 0.014 0.000 2.569 695 G HA2 0.474 4.434 3.960 0.000 0.000 0.300 695 G HA3 0.474 4.434 3.960 0.000 0.000 0.300 695 G C -0.669 174.324 174.900 0.155 0.000 1.269 695 G CA -0.715 44.362 45.100 -0.038 0.000 0.959 695 G HN 0.352 nan 8.290 nan 0.000 0.478 696 V N -0.139 119.843 119.914 0.114 0.000 3.052 696 V HA 0.148 4.268 4.120 0.000 0.000 0.254 696 V C 0.478 176.657 176.094 0.141 0.000 1.100 696 V CA 0.564 62.994 62.300 0.217 0.000 1.112 696 V CB 0.244 32.223 31.823 0.261 0.000 0.738 696 V HN 0.332 nan 8.190 nan 0.000 0.469 697 V N 0.251 120.194 119.914 0.049 0.000 2.711 697 V HA 0.323 4.443 4.120 0.000 0.000 0.304 697 V C -1.206 174.888 176.094 -0.000 0.000 1.097 697 V CA -0.852 61.460 62.300 0.020 0.000 0.906 697 V CB 2.151 33.941 31.823 -0.056 0.000 1.015 697 V HN 0.249 nan 8.190 nan 0.000 0.427 698 D N 3.387 123.795 120.400 0.014 0.000 2.367 698 D HA 0.061 4.701 4.640 0.000 0.000 0.255 698 D C 0.600 176.903 176.300 0.006 0.000 1.300 698 D CA 0.549 54.556 54.000 0.011 0.000 0.959 698 D CB 1.432 42.244 40.800 0.020 0.000 1.064 698 D HN 0.319 nan 8.370 nan 0.000 0.509 699 V N 4.003 123.917 119.914 -0.000 0.000 3.649 699 V HA 0.109 4.229 4.120 0.000 0.000 0.275 699 V C 0.036 176.140 176.094 0.016 0.000 1.281 699 V CA 0.037 62.337 62.300 0.001 0.000 1.143 699 V CB -0.372 31.446 31.823 -0.007 0.000 0.892 699 V HN 0.565 nan 8.190 nan 0.000 0.441 700 c N 0.856 119.469 118.600 0.022 0.000 2.388 700 c HA 0.369 4.939 4.570 0.000 0.000 0.362 700 c C 1.616 175.722 174.090 0.027 0.000 1.266 700 c CA -0.516 55.831 56.329 0.030 0.000 2.028 700 c CB 1.143 43.675 42.510 0.036 0.000 2.440 700 c HN 0.508 nan 8.230 nan 0.000 0.547 701 K N 1.267 121.684 120.400 0.028 0.000 2.214 701 K HA -0.007 4.313 4.320 0.000 0.000 0.201 701 K C 1.503 178.118 176.600 0.025 0.000 1.049 701 K CA 0.490 56.792 56.287 0.024 0.000 0.978 701 K CB -0.085 32.428 32.500 0.023 0.000 0.842 701 K HN 0.616 nan 8.250 nan 0.000 0.474 702 N N 0.975 119.691 118.700 0.026 0.000 2.028 702 N HA -0.202 4.538 4.740 0.000 0.000 0.181 702 N C 1.173 176.701 175.510 0.031 0.000 1.107 702 N CA 1.395 54.463 53.050 0.030 0.000 0.920 702 N CB -0.113 38.392 38.487 0.030 0.000 1.029 702 N HN 0.046 nan 8.380 nan 0.000 0.430 703 Q N -0.528 119.290 119.800 0.030 0.000 2.568 703 Q HA -0.441 3.899 4.340 0.000 0.000 0.445 703 Q C 0.909 176.931 176.000 0.036 0.000 0.761 703 Q CA 3.287 59.108 55.803 0.030 0.000 1.001 703 Q CB -0.963 27.791 28.738 0.026 0.000 1.716 703 Q HN 0.727 nan 8.270 nan 0.000 1.044 704 K N -3.527 116.893 120.400 0.034 0.000 2.179 704 K HA -0.071 4.250 4.320 0.000 0.000 0.220 704 K C 1.269 177.890 176.600 0.034 0.000 2.434 704 K CA 1.029 57.340 56.287 0.039 0.000 1.317 704 K CB -1.012 31.520 32.500 0.052 0.000 2.670 704 K HN 0.086 nan 8.250 nan 0.000 0.316 705 R N 0.904 121.424 120.500 0.034 0.000 2.249 705 R HA -0.152 4.188 4.340 0.000 0.000 0.229 705 R C 1.010 177.325 176.300 0.025 0.000 1.104 705 R CA 2.826 58.944 56.100 0.031 0.000 0.876 705 R CB -0.569 29.749 30.300 0.029 0.000 0.871 705 R HN 0.699 nan 8.270 nan 0.000 0.426 706 Q N -3.994 115.819 119.800 0.022 0.000 7.899 706 Q HA -0.178 4.162 4.340 0.000 0.000 0.367 706 Q C 1.457 177.467 176.000 0.016 0.000 0.975 706 Q CA 1.297 57.111 55.803 0.017 0.000 0.540 706 Q CB -1.189 27.556 28.738 0.012 0.000 0.164 706 Q HN 0.341 nan 8.270 nan 0.000 0.898 707 K N 1.030 121.440 120.400 0.018 0.000 2.262 707 K HA 0.108 4.428 4.320 0.000 0.000 0.200 707 K C 0.574 177.186 176.600 0.020 0.000 1.049 707 K CA 0.519 56.819 56.287 0.021 0.000 0.979 707 K CB 0.275 32.790 32.500 0.024 0.000 0.773 707 K HN 0.244 nan 8.250 nan 0.000 0.474 708 Q N 0.600 120.409 119.800 0.015 0.000 2.214 708 Q HA 0.347 4.687 4.340 0.000 0.000 0.251 708 Q C -1.008 174.993 176.000 0.001 0.000 0.936 708 Q CA -0.593 55.217 55.803 0.011 0.000 0.894 708 Q CB 2.463 31.208 28.738 0.012 0.000 1.252 708 Q HN -0.158 nan 8.270 nan 0.000 0.448 709 V N 2.231 122.139 119.914 -0.009 0.000 2.823 709 V HA 0.386 4.506 4.120 0.000 0.000 0.312 709 V C -2.205 173.852 176.094 -0.062 0.000 1.072 709 V CA -1.902 60.377 62.300 -0.036 0.000 0.937 709 V CB 1.594 33.395 31.823 -0.035 0.000 1.013 709 V HN 0.740 nan 8.190 nan 0.000 0.430 710 P HA 0.091 nan 4.420 nan 0.000 0.266 710 P C 0.594 177.797 177.300 -0.162 0.000 1.186 710 P CA 0.144 63.142 63.100 -0.170 0.000 0.767 710 P CB 0.571 31.967 31.700 -0.507 0.000 0.820 711 A N 2.089 124.893 122.820 -0.026 0.000 2.119 711 A HA -0.161 4.159 4.320 0.000 0.000 0.217 711 A C 1.484 179.087 177.584 0.032 0.000 1.153 711 A CA 1.494 53.537 52.037 0.010 0.000 0.692 711 A CB -1.302 17.727 19.000 0.049 0.000 0.799 711 A HN 0.847 nan 8.150 nan 0.000 0.458 712 H N -2.656 116.427 119.070 0.022 0.000 2.539 712 H HA 0.610 5.166 4.556 0.000 0.000 0.269 712 H C 0.788 176.153 175.328 0.062 0.000 0.980 712 H CA 0.273 56.367 56.048 0.076 0.000 1.152 712 H CB -0.193 29.650 29.762 0.135 0.000 1.407 712 H HN 0.263 nan 8.280 nan 0.000 0.564 713 A N 2.658 125.319 122.820 -0.266 0.000 2.906 713 A HA 0.173 4.493 4.320 0.000 0.000 0.289 713 A C 0.112 177.613 177.584 -0.137 0.000 1.675 713 A CA -0.639 51.282 52.037 -0.193 0.000 1.372 713 A CB -0.389 18.485 19.000 -0.210 0.000 1.091 713 A HN 0.300 nan 8.150 nan 0.000 0.579 714 R N 1.147 121.553 120.500 -0.155 0.000 2.553 714 R HA 0.498 4.838 4.340 0.000 0.000 0.263 714 R C -1.136 174.883 176.300 -0.468 0.000 1.066 714 R CA -0.595 55.308 56.100 -0.329 0.000 1.135 714 R CB 0.651 30.661 30.300 -0.484 0.000 1.148 714 R HN 0.504 nan 8.270 nan 0.000 0.558 715 D N 0.714 120.724 120.400 -0.650 0.000 2.649 715 D HA 0.344 4.984 4.640 0.000 0.000 0.249 715 D C -0.828 174.735 176.300 -1.227 0.000 1.112 715 D CA -0.286 53.258 54.000 -0.760 0.000 0.850 715 D CB 1.485 41.985 40.800 -0.499 0.000 1.399 715 D HN 0.142 nan 8.370 nan 0.000 0.503 716 F N 1.700 120.955 119.950 -1.159 0.000 2.443 716 F HA 0.331 4.858 4.527 0.000 0.000 0.335 716 F C 0.842 176.042 175.800 -1.000 0.000 1.104 716 F CA -0.455 56.840 58.000 -1.177 0.000 1.013 716 F CB 1.355 39.249 39.000 -1.843 0.000 1.136 716 F HN 0.134 nan 8.300 nan 0.000 0.470 717 H N 3.452 122.541 119.070 0.032 0.000 2.637 717 H HA 0.355 4.912 4.556 0.000 0.000 0.363 717 H C -0.541 174.939 175.328 0.254 0.000 1.131 717 H CA -0.831 55.284 56.048 0.112 0.000 1.183 717 H CB 2.297 32.087 29.762 0.046 0.000 1.637 717 H HN 0.299 nan 8.280 nan 0.000 0.531 718 I N 2.805 123.578 120.570 0.339 0.000 2.505 718 I HA -0.113 4.057 4.170 0.000 0.000 0.287 718 I C 0.953 177.160 176.117 0.150 0.000 1.104 718 I CA -0.108 61.305 61.300 0.188 0.000 1.387 718 I CB -0.454 37.624 38.000 0.130 0.000 1.404 718 I HN 0.464 nan 8.210 nan 0.000 0.528 719 N N 7.330 126.089 118.700 0.098 0.000 2.399 719 N HA 0.061 4.801 4.740 0.000 0.000 0.259 719 N C 0.990 176.585 175.510 0.142 0.000 1.160 719 N CA 0.036 53.171 53.050 0.141 0.000 0.946 719 N CB 0.590 39.151 38.487 0.124 0.000 1.156 719 N HN 0.512 nan 8.380 nan 0.000 0.489 720 L N 2.723 124.038 121.223 0.153 0.000 2.187 720 L HA -0.179 4.161 4.340 0.000 0.000 0.213 720 L C 1.379 178.291 176.870 0.071 0.000 1.100 720 L CA 0.995 55.894 54.840 0.098 0.000 0.765 720 L CB -0.370 41.711 42.059 0.037 0.000 0.904 720 L HN 0.486 nan 8.230 nan 0.000 0.437 721 F N -0.191 119.803 119.950 0.074 0.000 2.333 721 F HA -0.191 4.336 4.527 0.000 0.000 0.300 721 F C 2.411 178.251 175.800 0.067 0.000 1.083 721 F CA 0.973 59.016 58.000 0.071 0.000 1.395 721 F CB -0.085 38.944 39.000 0.048 0.000 1.056 721 F HN 0.143 nan 8.300 nan 0.000 0.529 722 Q N -0.066 119.855 119.800 0.203 0.000 2.320 722 Q HA 0.113 4.453 4.340 0.000 0.000 0.201 722 Q C 0.821 176.897 176.000 0.127 0.000 0.910 722 Q CA 0.454 56.325 55.803 0.114 0.000 0.946 722 Q CB 0.467 29.201 28.738 -0.006 0.000 1.062 722 Q HN 0.382 nan 8.270 nan 0.000 0.503 723 V N -3.252 116.762 119.914 0.166 0.000 2.841 723 V HA 0.256 4.376 4.120 0.000 0.000 0.363 723 V C 1.080 177.354 176.094 0.299 0.000 1.330 723 V CA -0.078 62.379 62.300 0.262 0.000 1.207 723 V CB -0.550 31.404 31.823 0.218 0.000 1.318 723 V HN 0.053 nan 8.190 nan 0.000 0.603 724 L N -0.016 121.325 121.223 0.196 0.000 2.131 724 L HA 0.105 4.445 4.340 0.000 0.000 0.206 724 L C -0.117 176.779 176.870 0.043 0.000 1.087 724 L CA 1.475 56.378 54.840 0.106 0.000 0.767 724 L CB -1.195 40.918 42.059 0.091 0.000 0.917 724 L HN 0.379 nan 8.230 nan 0.000 0.441 725 P HA -0.238 nan 4.420 nan 0.000 0.215 725 P C 1.167 178.495 177.300 0.047 0.000 1.157 725 P CA 1.509 64.639 63.100 0.051 0.000 0.874 725 P CB -0.114 31.646 31.700 0.102 0.000 0.790 726 W N -0.267 121.022 121.300 -0.018 0.000 2.436 726 W HA -0.028 4.632 4.660 0.000 0.000 0.284 726 W C 1.877 178.338 176.519 -0.097 0.000 1.225 726 W CA 1.027 58.338 57.345 -0.057 0.000 1.271 726 W CB -0.687 28.793 29.460 0.033 0.000 1.114 726 W HN -0.206 nan 8.180 nan 0.000 0.559 727 L N 0.613 121.779 121.223 -0.095 0.000 2.023 727 L HA -0.171 4.169 4.340 0.000 0.000 0.205 727 L C 2.531 179.006 176.870 -0.659 0.000 1.073 727 L CA 1.633 56.246 54.840 -0.378 0.000 0.745 727 L CB -0.822 41.187 42.059 -0.084 0.000 0.900 727 L HN -0.155 nan 8.230 nan 0.000 0.435 728 K N -0.130 119.807 120.400 -0.771 0.000 2.059 728 K HA -0.282 4.038 4.320 0.000 0.000 0.212 728 K C 1.924 178.149 176.600 -0.626 0.000 1.050 728 K CA 1.915 57.570 56.287 -1.052 0.000 0.927 728 K CB -0.204 31.874 32.500 -0.704 0.000 0.714 728 K HN 0.303 nan 8.250 nan 0.000 0.447 729 E N 1.093 121.023 120.200 -0.451 0.000 2.000 729 E HA -0.223 4.127 4.350 0.000 0.000 0.199 729 E C 1.675 178.031 176.600 -0.406 0.000 1.011 729 E CA 1.383 57.573 56.400 -0.350 0.000 0.836 729 E CB 0.160 29.695 29.700 -0.275 0.000 0.778 729 E HN 0.052 nan 8.360 nan 0.000 0.462 730 K N 0.068 120.132 120.400 -0.560 0.000 2.281 730 K HA -0.105 4.215 4.320 0.000 0.000 0.203 730 K C 1.642 177.868 176.600 -0.624 0.000 1.046 730 K CA 0.820 56.759 56.287 -0.579 0.000 0.938 730 K CB -0.122 31.891 32.500 -0.812 0.000 0.737 730 K HN 0.334 nan 8.250 nan 0.000 0.458 731 L N 1.724 122.593 121.223 -0.591 0.000 3.017 731 L HA 0.106 4.446 4.340 0.000 0.000 0.255 731 L C 2.008 178.751 176.870 -0.212 0.000 1.247 731 L CA -0.245 54.310 54.840 -0.475 0.000 1.038 731 L CB 0.120 41.957 42.059 -0.370 0.000 1.380 731 L HN 0.141 nan 8.230 nan 0.000 0.548 732 Q N -0.756 118.916 119.800 -0.214 0.000 2.079 732 Q HA -0.110 4.230 4.340 0.000 0.000 0.200 732 Q C 0.093 176.081 176.000 -0.020 0.000 0.974 732 Q CA 1.106 56.845 55.803 -0.107 0.000 0.840 732 Q CB -0.044 28.619 28.738 -0.126 0.000 0.898 732 Q HN 0.374 nan 8.270 nan 0.000 0.430 733 D N 0.910 121.299 120.400 -0.019 0.000 3.060 733 D HA 0.074 4.714 4.640 0.000 0.000 0.245 733 D C 0.061 176.415 176.300 0.091 0.000 1.274 733 D CA 0.126 54.146 54.000 0.032 0.000 0.864 733 D CB 0.577 41.391 40.800 0.023 0.000 1.073 733 D HN 0.296 nan 8.370 nan 0.000 0.473 734 E N -0.045 120.214 120.200 0.097 0.000 2.676 734 E HA 0.023 4.373 4.350 0.000 0.000 0.225 734 E C -0.088 176.587 176.600 0.124 0.000 0.944 734 E CA -0.099 56.391 56.400 0.150 0.000 1.156 734 E CB 1.087 30.879 29.700 0.153 0.000 1.117 734 E HN -0.005 nan 8.360 nan 0.000 0.523 735 D N -0.627 119.828 120.400 0.091 0.000 2.954 735 D HA -0.150 4.490 4.640 0.000 0.000 0.200 735 D C 0.996 177.312 176.300 0.027 0.000 1.022 735 D CA 0.559 54.596 54.000 0.062 0.000 1.003 735 D CB -1.248 39.593 40.800 0.070 0.000 1.073 735 D HN 0.209 nan 8.370 nan 0.000 0.438 736 L N -0.291 120.947 121.223 0.025 0.000 2.270 736 L HA 0.238 4.578 4.340 0.000 0.000 0.210 736 L C 1.418 178.162 176.870 -0.210 0.000 1.104 736 L CA 0.728 55.505 54.840 -0.105 0.000 0.804 736 L CB -0.334 41.644 42.059 -0.134 0.000 0.937 736 L HN 0.278 nan 8.230 nan 0.000 0.450 737 G N 1.100 109.871 108.800 -0.048 0.000 2.434 737 G HA2 -0.268 3.692 3.960 0.000 0.000 0.224 737 G HA3 -0.268 3.692 3.960 0.000 0.000 0.224 737 G C -0.267 174.564 174.900 -0.115 0.000 0.807 737 G CA -0.265 44.822 45.100 -0.020 0.000 1.113 737 G HN 0.065 nan 8.290 nan 0.000 0.327 738 F N 0.297 120.223 119.950 -0.040 0.000 2.251 738 F HA 0.711 5.238 4.527 0.000 0.000 0.302 738 F C 1.940 177.724 175.800 -0.026 0.000 1.143 738 F CA -0.566 57.410 58.000 -0.041 0.000 1.104 738 F CB 0.547 39.517 39.000 -0.051 0.000 1.516 738 F HN 0.242 nan 8.300 nan 0.000 0.511 739 L N -0.465 120.876 121.223 0.197 0.000 3.414 739 L HA 0.446 4.786 4.340 0.000 0.000 0.172 739 L C 0.792 177.713 176.870 0.085 0.000 1.268 739 L CA -0.065 54.834 54.840 0.098 0.000 0.871 739 L CB -0.835 41.265 42.059 0.068 0.000 1.470 739 L HN 0.590 nan 8.230 nan 0.000 0.600 740 A N 0.000 122.871 122.820 0.085 0.000 2.254 740 A HA 0.000 4.320 4.320 0.000 0.000 0.244 740 A CA 0.000 52.074 52.037 0.062 0.000 0.836 740 A CB 0.000 19.039 19.000 0.066 0.000 0.831 740 A HN 0.000 nan 8.150 nan 0.000 0.486