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 2w74_1_B DATA FIRST_RESID 12 DATA SEQUENCE NNFIVLDKYI KAEPTGDSYQ SESDLERELI QDLRNQGYEF ISVKSQSAML DATA SEQUENCE ANVREQLQNL NGVVFNDSEW RRFTEQYLDN PSDGILDKTR KIHIDYICDF DATA SEQUENCE IFDDERLENI YLIDKKNLMR NKVQIIQQFX XXXXXXXRYD VTILVNGLPL DATA SEQUENCE VQIELKKRGV AIREAFNQIX XXXXXXXXSE NSLFKYLQLF VISNGTDTRY DATA SEQUENCE FANTTKRDRN SFDFTMNWAK SDNTLIKDLK DFTATCFQKH TLLNVLVNYS DATA SEQUENCE VFDSSQTLLV MRPYQIAATE RILWKIKSSF TAKNWSKPES GGYIWHTTGS DATA SEQUENCE GKTLTSFKAA RLATELDFID KVFFVVDRKD LDYQTMKEYQ RFSPDSVNGS DATA SEQUENCE ENTAGLKRNL DKDDNKIIVT TIQKLNNLMK AESDLPVYNQ QVVFIFDECH DATA SEQUENCE RSQFGEAQKN LKKKFKRYYQ FGFTGTPIFP ENALGSETTA SVFGRELHSY DATA SEQUENCE VITDAIRDEK VLKFKVDYND VRPQFKSLET EXXXXXXXXX XXXXXXXXXX DATA SEQUENCE RIQEITQYIL NNFRQKTHRT FPGSKGFNAM LAVSSVDAAK AYYATFXXXX DATA SEQUENCE XXXXXXXXXX KPLRIATIFS FAXXXXXXXX GEISDETFDT XXXXXXAKEF DATA SEQUENCE LDAAIREYNS HFKTNFSTDS NGFQNYYRDL AQRVKNQDID LLIVVGMFLT DATA SEQUENCE GFDAPTLNTL FVDKNLRYHG LMQAFSRTNR IYDATKTFGN IVTFRDLERS DATA SEQUENCE TIDAITLFGD KNTKNVVLEK SYTEYMEGFT DXXXGEAKRG FMTVVSELEQ DATA SEQUENCE RFPDPTSIES EKEKKDFVKL FGEYLRAENI LQNYDEFATL KALXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXFAE LQTIRLPADR KIQDYRSAYN DIRDWQRRXX DATA SEQUENCE XXXXXXXXXX XWDDVVFEVD LLKSQ 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 12 N HA 0.000 nan 4.740 nan 0.000 0.220 12 N C 0.000 175.038 175.510 -0.786 0.000 1.280 12 N CA 0.000 52.523 53.050 -0.878 0.000 0.885 12 N CB 0.000 37.707 38.487 -1.300 0.000 1.341 13 N N 0.895 119.371 118.700 -0.375 0.000 2.767 13 N HA 0.326 5.349 4.740 0.473 0.000 0.238 13 N C -0.778 174.697 175.510 -0.059 0.000 1.083 13 N CA -0.534 52.366 53.050 -0.249 0.000 0.964 13 N CB -0.688 37.687 38.487 -0.187 0.000 1.252 13 N HN 0.445 nan 8.380 nan 0.000 0.512 14 F N 0.775 120.738 119.950 0.021 0.000 2.418 14 F HA 0.185 4.996 4.527 0.474 0.000 0.341 14 F C 2.078 177.929 175.800 0.085 0.000 1.120 14 F CA -1.068 56.955 58.000 0.039 0.000 1.232 14 F CB 1.214 40.188 39.000 -0.043 0.000 1.175 14 F HN 0.378 nan 8.300 nan 0.000 0.569 15 I N -0.426 120.340 120.570 0.327 0.000 3.603 15 I HA 0.177 4.631 4.170 0.473 0.000 0.297 15 I C -0.363 175.890 176.117 0.225 0.000 1.269 15 I CA 0.287 61.756 61.300 0.282 0.000 1.361 15 I CB 0.168 38.344 38.000 0.293 0.000 1.063 15 I HN 0.098 nan 8.210 nan 0.000 0.448 16 V N 3.914 123.847 119.914 0.032 0.000 2.333 16 V HA 0.353 4.757 4.120 0.473 0.000 0.274 16 V C 0.172 176.243 176.094 -0.038 0.000 1.028 16 V CA -0.480 61.732 62.300 -0.145 0.000 0.851 16 V CB 1.137 32.719 31.823 -0.401 0.000 1.000 16 V HN 0.217 nan 8.190 nan 0.000 0.456 17 L N 3.867 125.102 121.223 0.021 0.000 2.371 17 L HA 0.335 4.959 4.340 0.473 0.000 0.272 17 L C 1.133 178.043 176.870 0.067 0.000 1.124 17 L CA -0.347 54.550 54.840 0.096 0.000 0.816 17 L CB 0.810 42.961 42.059 0.152 0.000 1.129 17 L HN 0.558 nan 8.230 nan 0.000 0.448 18 D N 1.359 121.812 120.400 0.087 0.000 2.103 18 D HA -0.033 4.891 4.640 0.473 0.000 0.199 18 D C 0.866 177.206 176.300 0.066 0.000 0.978 18 D CA 1.287 55.324 54.000 0.062 0.000 0.829 18 D CB 0.162 40.999 40.800 0.062 0.000 0.981 18 D HN 0.502 nan 8.370 nan 0.000 0.464 19 K N 0.062 120.511 120.400 0.081 0.000 2.292 19 K HA 0.470 5.074 4.320 0.473 0.000 0.257 19 K C -1.627 175.057 176.600 0.141 0.000 0.940 19 K CA -0.748 55.585 56.287 0.076 0.000 0.811 19 K CB 1.245 33.763 32.500 0.030 0.000 1.120 19 K HN 0.180 nan 8.250 nan 0.000 0.428 20 Y N 3.423 123.741 120.300 0.030 0.000 2.346 20 Y HA 0.471 5.306 4.550 0.475 0.000 0.332 20 Y C 0.060 175.980 175.900 0.034 0.000 0.985 20 Y CA -1.612 56.512 58.100 0.039 0.000 1.112 20 Y CB 1.386 39.879 38.460 0.055 0.000 1.170 20 Y HN 0.606 nan 8.280 nan 0.000 0.447 21 I N 4.511 124.405 120.570 -1.126 0.000 2.293 21 I HA 0.232 4.686 4.170 0.473 0.000 0.299 21 I C 0.052 175.715 176.117 -0.756 0.000 1.153 21 I CA -0.374 60.495 61.300 -0.718 0.000 1.302 21 I CB 0.278 38.004 38.000 -0.455 0.000 1.460 21 I HN 0.677 nan 8.210 nan 0.000 0.552 22 K N 5.167 125.387 120.400 -0.300 0.000 2.258 22 K HA 0.140 4.744 4.320 0.473 0.000 0.266 22 K C 0.767 177.382 176.600 0.025 0.000 1.204 22 K CA -0.023 56.273 56.287 0.015 0.000 1.206 22 K CB 0.109 32.646 32.500 0.062 0.000 0.854 22 K HN 0.841 nan 8.250 nan 0.000 0.453 23 A N 4.016 126.903 122.820 0.111 0.000 2.433 23 A HA 0.027 4.631 4.320 0.473 0.000 0.250 23 A C -0.046 177.576 177.584 0.064 0.000 1.113 23 A CA 0.193 52.281 52.037 0.085 0.000 0.794 23 A CB 0.287 19.381 19.000 0.157 0.000 1.067 23 A HN 0.676 nan 8.150 nan 0.000 0.510 24 E N 0.363 120.593 120.200 0.050 0.000 2.171 24 E HA 0.444 5.078 4.350 0.473 0.000 0.271 24 E C -2.433 174.189 176.600 0.037 0.000 0.916 24 E CA -1.553 54.868 56.400 0.035 0.000 0.774 24 E CB 1.098 30.811 29.700 0.022 0.000 1.128 24 E HN 0.408 nan 8.360 nan 0.000 0.403 25 P HA 0.057 nan 4.420 nan 0.000 0.271 25 P C 0.927 178.240 177.300 0.022 0.000 1.218 25 P CA -0.139 62.978 63.100 0.028 0.000 0.780 25 P CB 0.657 32.372 31.700 0.025 0.000 0.901 26 T N -1.036 113.529 114.554 0.020 0.000 2.857 26 T HA 0.128 4.761 4.350 0.473 0.000 0.266 26 T C 0.867 175.574 174.700 0.013 0.000 1.048 26 T CA 0.723 62.833 62.100 0.016 0.000 1.139 26 T CB -0.532 68.346 68.868 0.016 0.000 0.874 26 T HN 0.552 nan 8.240 nan 0.000 0.455 27 G N -0.224 108.582 108.800 0.011 0.000 2.719 27 G HA2 0.533 4.777 3.960 0.473 0.000 0.284 27 G HA3 0.533 4.777 3.960 0.473 0.000 0.284 27 G C -0.889 174.016 174.900 0.008 0.000 1.488 27 G CA 0.281 45.387 45.100 0.010 0.000 1.139 27 G HN 0.874 nan 8.290 nan 0.000 0.552 28 D N 0.044 120.448 120.400 0.007 0.000 4.549 28 D HA 0.232 5.156 4.640 0.473 0.000 0.223 28 D C 0.273 176.575 176.300 0.005 0.000 1.439 28 D CA 0.532 54.536 54.000 0.006 0.000 1.047 28 D CB -1.269 nan 40.800 nan 0.000 0.481 28 D HN 1.729 nan 8.370 nan 0.000 0.223 29 S N 0.437 116.139 115.700 0.003 0.000 2.555 29 S HA 0.486 5.240 4.470 0.473 0.000 0.293 29 S C 0.885 175.483 174.600 -0.003 0.000 1.248 29 S CA 1.351 59.551 58.200 -0.000 0.000 1.096 29 S CB -0.451 62.748 63.200 -0.001 0.000 0.881 29 S HN 2.037 nan 8.310 nan 0.000 0.498 30 Y N 3.379 123.677 120.300 -0.004 0.000 2.734 30 Y HA 0.424 5.258 4.550 0.473 0.000 0.278 30 Y C 1.369 177.261 175.900 -0.014 0.000 1.108 30 Y CA -0.076 58.020 58.100 -0.007 0.000 1.211 30 Y CB -0.583 37.879 38.460 0.002 0.000 1.182 30 Y HN 0.823 nan 8.280 nan 0.000 0.547 31 Q N 1.250 121.039 119.800 -0.019 0.000 2.200 31 Q HA 0.117 4.741 4.340 0.473 0.000 0.197 31 Q C 1.568 177.541 176.000 -0.045 0.000 0.953 31 Q CA 1.328 57.117 55.803 -0.024 0.000 0.851 31 Q CB 0.253 28.982 28.738 -0.016 0.000 0.938 31 Q HN 0.693 nan 8.270 nan 0.000 0.488 32 S N -0.764 114.900 115.700 -0.061 0.000 2.693 32 S HA 0.201 4.955 4.470 0.473 0.000 0.276 32 S C 0.695 175.186 174.600 -0.180 0.000 1.192 32 S CA -0.389 57.746 58.200 -0.108 0.000 0.994 32 S CB 1.073 64.216 63.200 -0.095 0.000 1.012 32 S HN 0.269 nan 8.310 nan 0.000 0.550 33 E N 1.201 121.198 120.200 -0.337 0.000 2.097 33 E HA -0.173 4.461 4.350 0.473 0.000 0.196 33 E C 2.196 178.547 176.600 -0.416 0.000 1.000 33 E CA 1.782 57.875 56.400 -0.511 0.000 0.804 33 E CB -0.347 28.729 29.700 -1.040 0.000 0.740 33 E HN 0.828 nan 8.360 nan 0.000 0.454 34 S N 0.547 116.025 115.700 -0.371 0.000 2.453 34 S HA -0.151 4.603 4.470 0.473 0.000 0.231 34 S C 1.460 176.051 174.600 -0.016 0.000 1.005 34 S CA 1.026 59.203 58.200 -0.038 0.000 0.949 34 S CB -0.046 63.242 63.200 0.146 0.000 0.774 34 S HN 0.079 nan 8.310 nan 0.000 0.510 35 D N 1.578 121.947 120.400 -0.052 0.000 2.084 35 D HA 0.001 4.925 4.640 0.473 0.000 0.196 35 D C 1.909 178.195 176.300 -0.024 0.000 0.985 35 D CA 0.859 54.842 54.000 -0.029 0.000 0.826 35 D CB -0.447 40.333 40.800 -0.034 0.000 0.978 35 D HN 0.267 nan 8.370 nan 0.000 0.456 36 L N 1.267 122.465 121.223 -0.041 0.000 1.971 36 L HA -0.202 4.422 4.340 0.473 0.000 0.215 36 L C 2.395 179.264 176.870 -0.001 0.000 1.072 36 L CA 1.701 56.527 54.840 -0.023 0.000 0.758 36 L CB -0.961 41.073 42.059 -0.041 0.000 0.889 36 L HN 0.109 nan 8.230 nan 0.000 0.433 37 E N -0.635 119.568 120.200 0.005 0.000 2.118 37 E HA -0.283 4.350 4.350 0.473 0.000 0.195 37 E C 2.434 179.045 176.600 0.018 0.000 0.992 37 E CA 1.350 57.777 56.400 0.045 0.000 0.804 37 E CB -0.151 29.618 29.700 0.116 0.000 0.741 37 E HN 0.337 nan 8.360 nan 0.000 0.458 38 R N 0.521 121.025 120.500 0.005 0.000 2.080 38 R HA -0.209 4.415 4.340 0.473 0.000 0.236 38 R C 2.042 178.327 176.300 -0.025 0.000 1.137 38 R CA 2.129 58.217 56.100 -0.020 0.000 0.943 38 R CB -0.222 30.072 30.300 -0.011 0.000 0.846 38 R HN 0.295 nan 8.270 nan 0.000 0.431 39 E N 0.655 120.851 120.200 -0.007 0.000 2.106 39 E HA -0.169 4.465 4.350 0.473 0.000 0.192 39 E C 2.170 178.774 176.600 0.008 0.000 0.984 39 E CA 0.842 57.243 56.400 0.001 0.000 0.806 39 E CB -0.118 29.588 29.700 0.011 0.000 0.750 39 E HN 0.378 nan 8.360 nan 0.000 0.458 40 L N 1.022 122.254 121.223 0.016 0.000 2.012 40 L HA -0.222 4.402 4.340 0.473 0.000 0.210 40 L C 2.352 179.221 176.870 -0.002 0.000 1.073 40 L CA 1.264 56.123 54.840 0.032 0.000 0.748 40 L CB -0.158 41.933 42.059 0.054 0.000 0.891 40 L HN 0.180 nan 8.230 nan 0.000 0.431 41 I N -0.728 119.822 120.570 -0.033 0.000 2.113 41 I HA -0.345 4.108 4.170 0.473 0.000 0.238 41 I C 2.594 178.662 176.117 -0.081 0.000 1.070 41 I CA 1.210 62.455 61.300 -0.092 0.000 1.332 41 I CB -0.274 37.600 38.000 -0.210 0.000 1.044 41 I HN 0.335 nan 8.210 nan 0.000 0.402 42 Q N 1.082 120.842 119.800 -0.068 0.000 2.077 42 Q HA -0.254 4.370 4.340 0.473 0.000 0.206 42 Q C 1.721 177.719 176.000 -0.002 0.000 0.989 42 Q CA 2.045 57.826 55.803 -0.038 0.000 0.853 42 Q CB -0.276 28.446 28.738 -0.027 0.000 0.907 42 Q HN 0.414 nan 8.270 nan 0.000 0.418 43 D N -0.691 119.714 120.400 0.008 0.000 2.144 43 D HA -0.114 4.810 4.640 0.473 0.000 0.200 43 D C 1.856 178.176 176.300 0.034 0.000 0.978 43 D CA 0.877 54.896 54.000 0.032 0.000 0.833 43 D CB -0.118 40.708 40.800 0.044 0.000 0.961 43 D HN 0.291 nan 8.370 nan 0.000 0.470 44 L N 0.286 121.503 121.223 -0.011 0.000 2.141 44 L HA -0.068 4.556 4.340 0.473 0.000 0.209 44 L C 2.529 179.461 176.870 0.104 0.000 1.094 44 L CA 0.858 55.651 54.840 -0.079 0.000 0.763 44 L CB -0.116 41.756 42.059 -0.312 0.000 0.908 44 L HN -0.079 nan 8.230 nan 0.000 0.437 45 R N -0.072 120.480 120.500 0.086 0.000 2.066 45 R HA -0.114 4.510 4.340 0.473 0.000 0.232 45 R C 2.074 178.440 176.300 0.109 0.000 1.131 45 R CA 1.476 57.646 56.100 0.117 0.000 0.955 45 R CB -0.446 29.895 30.300 0.068 0.000 0.851 45 R HN 0.393 nan 8.270 nan 0.000 0.432 46 N N 1.143 119.892 118.700 0.082 0.000 2.205 46 N HA -0.179 4.845 4.740 0.473 0.000 0.186 46 N C 1.077 176.645 175.510 0.097 0.000 1.015 46 N CA 1.198 54.292 53.050 0.074 0.000 0.862 46 N CB -0.136 38.386 38.487 0.059 0.000 0.986 46 N HN 0.328 nan 8.380 nan 0.000 0.429 47 Q N -0.366 119.521 119.800 0.145 0.000 2.291 47 Q HA 0.238 4.861 4.340 0.473 0.000 0.211 47 Q C 0.299 176.431 176.000 0.220 0.000 0.925 47 Q CA 0.052 55.972 55.803 0.196 0.000 0.949 47 Q CB 0.016 28.914 28.738 0.266 0.000 1.015 47 Q HN 0.439 nan 8.270 nan 0.000 0.477 48 G N 0.175 109.065 108.800 0.150 0.000 2.149 48 G HA2 -0.287 3.957 3.960 0.473 0.000 0.235 48 G HA3 -0.287 3.957 3.960 0.473 0.000 0.235 48 G C -0.703 174.197 174.900 -0.000 0.000 1.018 48 G CA -0.332 44.794 45.100 0.044 0.000 0.728 48 G HN 0.342 nan 8.290 nan 0.000 0.508 49 Y N 0.606 120.913 120.300 0.012 0.000 2.417 49 Y HA 0.471 5.305 4.550 0.474 0.000 0.336 49 Y C 0.671 176.599 175.900 0.048 0.000 0.961 49 Y CA -1.087 57.019 58.100 0.011 0.000 1.215 49 Y CB 1.085 39.545 38.460 -0.000 0.000 1.120 49 Y HN 0.306 nan 8.280 nan 0.000 0.499 50 E N 4.047 124.337 120.200 0.150 0.000 2.376 50 E HA 0.026 4.659 4.350 0.473 0.000 0.266 50 E C -1.268 175.442 176.600 0.184 0.000 1.009 50 E CA -0.161 56.318 56.400 0.132 0.000 0.902 50 E CB 0.539 30.269 29.700 0.049 0.000 0.972 50 E HN 0.517 nan 8.360 nan 0.000 0.439 51 F N 5.931 125.909 119.950 0.046 0.000 2.397 51 F HA 0.508 5.318 4.527 0.472 0.000 0.331 51 F C -0.445 175.371 175.800 0.027 0.000 1.090 51 F CA -0.647 57.377 58.000 0.041 0.000 1.065 51 F CB 0.639 39.663 39.000 0.040 0.000 1.184 51 F HN 0.421 nan 8.300 nan 0.000 0.499 52 I N 1.248 121.174 120.570 -1.074 0.000 3.006 52 I HA 0.471 4.925 4.170 0.473 0.000 0.306 52 I C -1.329 174.309 176.117 -0.799 0.000 1.250 52 I CA -0.972 59.907 61.300 -0.701 0.000 0.996 52 I CB 1.959 39.770 38.000 -0.315 0.000 1.261 52 I HN 0.470 nan 8.210 nan 0.000 0.442 53 S N 3.014 118.467 115.700 -0.411 0.000 2.423 53 S HA 0.698 5.452 4.470 0.473 0.000 0.317 53 S C -0.759 173.733 174.600 -0.180 0.000 1.065 53 S CA -0.369 57.682 58.200 -0.247 0.000 1.111 53 S CB 0.481 63.617 63.200 -0.107 0.000 0.968 53 S HN 0.480 nan 8.310 nan 0.000 0.474 54 V N 5.884 125.699 119.914 -0.164 0.000 2.555 54 V HA 0.544 4.948 4.120 0.473 0.000 0.302 54 V C 0.325 176.180 176.094 -0.398 0.000 1.038 54 V CA -0.610 61.550 62.300 -0.232 0.000 0.887 54 V CB 2.056 33.787 31.823 -0.153 0.000 0.991 54 V HN 0.958 nan 8.190 nan 0.000 0.434 55 K N 1.641 121.671 120.400 -0.616 0.000 2.554 55 K HA 0.321 4.925 4.320 0.473 0.000 0.211 55 K C -0.102 175.974 176.600 -0.873 0.000 1.226 55 K CA 0.187 56.109 56.287 -0.609 0.000 1.025 55 K CB 1.185 33.543 32.500 -0.237 0.000 1.021 55 K HN 0.846 nan 8.250 nan 0.000 0.600 56 S N -1.543 113.527 115.700 -1.050 0.000 2.615 56 S HA 0.093 4.847 4.470 0.473 0.000 0.268 56 S C 0.326 174.729 174.600 -0.329 0.000 1.146 56 S CA -0.859 57.000 58.200 -0.569 0.000 0.818 56 S CB 1.573 64.632 63.200 -0.235 0.000 1.111 56 S HN -0.036 nan 8.310 nan 0.000 0.465 57 Q N 1.435 121.233 119.800 -0.003 0.000 2.112 57 Q HA -0.091 4.533 4.340 0.473 0.000 0.206 57 Q C 2.068 178.077 176.000 0.016 0.000 0.987 57 Q CA 2.612 58.467 55.803 0.086 0.000 0.858 57 Q CB -0.704 28.107 28.738 0.123 0.000 0.905 57 Q HN 0.744 nan 8.270 nan 0.000 0.420 58 S N -0.910 114.781 115.700 -0.015 0.000 2.359 58 S HA -0.235 4.519 4.470 0.473 0.000 0.222 58 S C 1.891 176.468 174.600 -0.039 0.000 1.038 58 S CA 1.581 59.774 58.200 -0.011 0.000 1.051 58 S CB -0.739 62.448 63.200 -0.022 0.000 0.944 58 S HN 0.618 nan 8.310 nan 0.000 0.433 59 A N 1.568 124.327 122.820 -0.101 0.000 1.908 59 A HA -0.098 4.506 4.320 0.473 0.000 0.218 59 A C 2.264 179.787 177.584 -0.102 0.000 1.181 59 A CA 1.740 53.705 52.037 -0.120 0.000 0.627 59 A CB -0.666 18.230 19.000 -0.172 0.000 0.818 59 A HN 0.594 nan 8.150 nan 0.000 0.445 60 M N -0.903 118.637 119.600 -0.099 0.000 2.180 60 M HA -0.178 4.585 4.480 0.473 0.000 0.260 60 M C 2.296 178.596 176.300 0.000 0.000 1.071 60 M CA 1.794 57.069 55.300 -0.042 0.000 1.096 60 M CB -0.804 31.806 32.600 0.016 0.000 1.276 60 M HN 0.468 nan 8.290 nan 0.000 0.426 61 L N -0.139 121.117 121.223 0.054 0.000 2.054 61 L HA -0.324 4.300 4.340 0.473 0.000 0.220 61 L C 2.633 179.589 176.870 0.142 0.000 1.081 61 L CA 1.893 56.829 54.840 0.160 0.000 0.780 61 L CB -0.672 41.498 42.059 0.186 0.000 0.893 61 L HN 0.419 nan 8.230 nan 0.000 0.438 62 A N -0.290 122.539 122.820 0.015 0.000 1.873 62 A HA -0.277 4.327 4.320 0.473 0.000 0.215 62 A C 1.925 179.423 177.584 -0.144 0.000 1.186 62 A CA 1.975 53.950 52.037 -0.103 0.000 0.616 62 A CB -0.778 18.165 19.000 -0.094 0.000 0.823 62 A HN 0.582 nan 8.150 nan 0.000 0.442 63 N N 0.173 118.815 118.700 -0.097 0.000 2.104 63 N HA -0.155 4.868 4.740 0.473 0.000 0.190 63 N C 1.432 176.886 175.510 -0.094 0.000 1.024 63 N CA 2.076 55.066 53.050 -0.101 0.000 0.853 63 N CB -0.428 38.004 38.487 -0.090 0.000 1.008 63 N HN 0.154 nan 8.380 nan 0.000 0.424 64 V N 0.983 120.872 119.914 -0.041 0.000 2.287 64 V HA -0.218 4.186 4.120 0.473 0.000 0.248 64 V C 2.659 178.717 176.094 -0.060 0.000 1.053 64 V CA 1.864 64.174 62.300 0.017 0.000 1.027 64 V CB -0.721 31.186 31.823 0.141 0.000 0.646 64 V HN 0.408 nan 8.190 nan 0.000 0.447 65 R N -0.118 120.197 120.500 -0.309 0.000 2.094 65 R HA -0.268 4.356 4.340 0.473 0.000 0.239 65 R C 2.411 178.426 176.300 -0.475 0.000 1.137 65 R CA 2.467 57.971 56.100 -0.994 0.000 0.943 65 R CB -0.405 28.998 30.300 -1.495 0.000 0.850 65 R HN 0.724 nan 8.270 nan 0.000 0.433 66 E N -0.230 119.786 120.200 -0.307 0.000 2.023 66 E HA -0.247 4.387 4.350 0.473 0.000 0.196 66 E C 1.994 178.516 176.600 -0.130 0.000 1.003 66 E CA 1.562 57.845 56.400 -0.195 0.000 0.809 66 E CB 0.046 29.653 29.700 -0.155 0.000 0.755 66 E HN 0.330 nan 8.360 nan 0.000 0.449 67 Q N 0.458 120.199 119.800 -0.098 0.000 2.061 67 Q HA -0.158 4.466 4.340 0.473 0.000 0.204 67 Q C 2.510 178.488 176.000 -0.036 0.000 0.984 67 Q CA 1.102 56.867 55.803 -0.063 0.000 0.846 67 Q CB -0.569 28.137 28.738 -0.053 0.000 0.902 67 Q HN 0.437 nan 8.270 nan 0.000 0.421 68 L N 0.526 121.747 121.223 -0.004 0.000 2.079 68 L HA -0.233 4.391 4.340 0.473 0.000 0.210 68 L C 2.505 179.385 176.870 0.018 0.000 1.081 68 L CA 1.399 56.273 54.840 0.055 0.000 0.752 68 L CB -0.379 41.777 42.059 0.161 0.000 0.896 68 L HN 0.354 nan 8.230 nan 0.000 0.433 69 Q N -0.759 119.019 119.800 -0.037 0.000 2.187 69 Q HA -0.125 4.499 4.340 0.473 0.000 0.199 69 Q C 1.913 177.857 176.000 -0.093 0.000 0.957 69 Q CA 0.876 56.625 55.803 -0.091 0.000 0.857 69 Q CB 0.110 28.774 28.738 -0.123 0.000 0.929 69 Q HN 0.478 nan 8.270 nan 0.000 0.453 70 N N 0.768 119.421 118.700 -0.078 0.000 2.109 70 N HA -0.109 4.915 4.740 0.473 0.000 0.188 70 N C 1.638 177.111 175.510 -0.062 0.000 1.034 70 N CA 0.694 53.700 53.050 -0.072 0.000 0.846 70 N CB -0.373 38.071 38.487 -0.070 0.000 1.010 70 N HN 0.137 nan 8.380 nan 0.000 0.425 71 L N 1.108 122.303 121.223 -0.045 0.000 2.013 71 L HA -0.136 4.488 4.340 0.473 0.000 0.212 71 L C 0.967 177.813 176.870 -0.039 0.000 1.073 71 L CA 1.565 56.383 54.840 -0.037 0.000 0.753 71 L CB -0.307 41.750 42.059 -0.002 0.000 0.890 71 L HN 0.296 nan 8.230 nan 0.000 0.432 72 N N -0.397 118.291 118.700 -0.021 0.000 2.353 72 N HA -0.004 5.020 4.740 0.473 0.000 0.185 72 N C 1.151 176.629 175.510 -0.055 0.000 1.098 72 N CA 0.875 53.918 53.050 -0.012 0.000 0.872 72 N CB 0.474 38.983 38.487 0.036 0.000 0.970 72 N HN 0.492 nan 8.380 nan 0.000 0.467 73 G N 1.203 109.957 108.800 -0.077 0.000 2.160 73 G HA2 -0.241 4.002 3.960 0.473 0.000 0.251 73 G HA3 -0.241 4.002 3.960 0.473 0.000 0.251 73 G C -0.279 174.551 174.900 -0.116 0.000 1.008 73 G CA 0.478 45.525 45.100 -0.089 0.000 0.724 73 G HN 0.289 nan 8.290 nan 0.000 0.514 74 V N -0.678 119.142 119.914 -0.155 0.000 2.876 74 V HA 0.756 5.160 4.120 0.473 0.000 0.312 74 V C -0.306 175.618 176.094 -0.284 0.000 1.085 74 V CA -0.761 61.408 62.300 -0.219 0.000 0.945 74 V CB 2.417 34.100 31.823 -0.233 0.000 1.017 74 V HN 0.384 nan 8.190 nan 0.000 0.428 75 V N 6.275 126.042 119.914 -0.245 0.000 2.409 75 V HA 0.511 4.915 4.120 0.473 0.000 0.291 75 V C -0.416 175.581 176.094 -0.161 0.000 1.020 75 V CA -0.490 61.691 62.300 -0.197 0.000 0.848 75 V CB 1.472 33.236 31.823 -0.098 0.000 0.990 75 V HN 0.722 nan 8.190 nan 0.000 0.430 76 F N 4.513 124.491 119.950 0.046 0.000 2.410 76 F HA 0.324 5.135 4.527 0.473 0.000 0.334 76 F C 1.232 177.090 175.800 0.096 0.000 1.134 76 F CA -0.231 57.833 58.000 0.106 0.000 1.227 76 F CB 0.562 39.605 39.000 0.071 0.000 1.194 76 F HN 0.611 nan 8.300 nan 0.000 0.571 77 N N 0.345 119.255 118.700 0.349 0.000 2.434 77 N HA 0.065 5.089 4.740 0.473 0.000 0.266 77 N C -0.323 175.341 175.510 0.256 0.000 1.223 77 N CA -0.615 52.578 53.050 0.238 0.000 0.972 77 N CB 0.898 39.502 38.487 0.193 0.000 1.207 77 N HN 0.496 nan 8.380 nan 0.000 0.525 78 D N 0.073 120.582 120.400 0.182 0.000 2.178 78 D HA -0.123 4.800 4.640 0.473 0.000 0.202 78 D C 1.795 178.215 176.300 0.200 0.000 0.974 78 D CA 1.013 55.125 54.000 0.186 0.000 0.841 78 D CB -0.194 40.679 40.800 0.123 0.000 0.953 78 D HN 0.551 nan 8.370 nan 0.000 0.478 79 S N -0.162 115.642 115.700 0.174 0.000 2.368 79 S HA -0.138 4.616 4.470 0.473 0.000 0.224 79 S C 1.728 176.442 174.600 0.190 0.000 1.029 79 S CA 1.026 59.318 58.200 0.152 0.000 0.988 79 S CB -0.014 63.264 63.200 0.129 0.000 0.838 79 S HN 0.190 nan 8.310 nan 0.000 0.462 80 E N 0.356 120.723 120.200 0.279 0.000 2.051 80 E HA -0.147 4.487 4.350 0.473 0.000 0.192 80 E C 1.796 178.495 176.600 0.164 0.000 0.991 80 E CA 1.181 57.822 56.400 0.402 0.000 0.799 80 E CB -0.369 29.671 29.700 0.567 0.000 0.748 80 E HN 0.711 nan 8.360 nan 0.000 0.449 81 W N 2.238 123.459 121.300 -0.131 0.000 2.321 81 W HA -0.239 4.704 4.660 0.472 0.000 0.306 81 W C 2.169 178.600 176.519 -0.145 0.000 1.217 81 W CA 1.347 58.459 57.345 -0.389 0.000 1.257 81 W CB -0.107 29.204 29.460 -0.249 0.000 1.145 81 W HN 0.013 nan 8.180 nan 0.000 0.509 82 R N 0.803 121.251 120.500 -0.086 0.000 2.090 82 R HA -0.173 4.451 4.340 0.473 0.000 0.228 82 R C 2.453 178.664 176.300 -0.148 0.000 1.110 82 R CA 1.507 57.521 56.100 -0.142 0.000 0.973 82 R CB -0.509 29.794 30.300 0.004 0.000 0.869 82 R HN 0.161 nan 8.270 nan 0.000 0.440 83 R N -0.464 120.019 120.500 -0.028 0.000 2.075 83 R HA -0.145 4.479 4.340 0.473 0.000 0.232 83 R C 2.126 178.444 176.300 0.030 0.000 1.126 83 R CA 1.544 57.667 56.100 0.040 0.000 0.963 83 R CB -0.511 29.879 30.300 0.149 0.000 0.858 83 R HN 0.203 nan 8.270 nan 0.000 0.435 84 F N 1.264 121.104 119.950 -0.182 0.000 2.095 84 F HA -0.214 4.597 4.527 0.473 0.000 0.298 84 F C 2.039 177.558 175.800 -0.467 0.000 1.104 84 F CA 2.193 59.959 58.000 -0.389 0.000 1.232 84 F CB -0.593 37.769 39.000 -1.063 0.000 0.987 84 F HN -0.013 nan 8.300 nan 0.000 0.475 85 T N -0.039 114.097 114.554 -0.695 0.000 2.652 85 T HA -0.229 4.405 4.350 0.473 0.000 0.267 85 T C 1.777 176.253 174.700 -0.373 0.000 1.039 85 T CA 1.947 63.673 62.100 -0.624 0.000 1.153 85 T CB -0.339 68.166 68.868 -0.606 0.000 0.863 85 T HN 0.359 nan 8.240 nan 0.000 0.428 86 E N 0.318 120.362 120.200 -0.261 0.000 2.204 86 E HA -0.079 4.555 4.350 0.473 0.000 0.194 86 E C 2.319 178.833 176.600 -0.144 0.000 0.989 86 E CA 0.828 57.130 56.400 -0.163 0.000 0.824 86 E CB 0.097 29.734 29.700 -0.105 0.000 0.756 86 E HN 0.536 nan 8.360 nan 0.000 0.477 87 Q N -2.037 117.672 119.800 -0.151 0.000 2.391 87 Q HA 0.034 4.658 4.340 0.473 0.000 0.243 87 Q C 0.841 176.792 176.000 -0.081 0.000 0.874 87 Q CA 0.297 56.046 55.803 -0.089 0.000 0.950 87 Q CB 0.641 29.359 28.738 -0.033 0.000 1.103 87 Q HN 0.265 nan 8.270 nan 0.000 0.544 88 Y N -0.471 119.605 120.300 -0.373 0.000 2.846 88 Y HA 0.186 5.020 4.550 0.474 0.000 0.258 88 Y C 1.619 177.254 175.900 -0.442 0.000 1.077 88 Y CA -0.049 57.800 58.100 -0.418 0.000 1.270 88 Y CB 0.045 38.205 38.460 -0.499 0.000 1.476 88 Y HN -0.115 nan 8.280 nan 0.000 0.460 89 L N 0.425 121.233 121.223 -0.693 0.000 2.056 89 L HA -0.101 4.523 4.340 0.473 0.000 0.207 89 L C 0.232 176.989 176.870 -0.189 0.000 1.078 89 L CA 2.542 57.100 54.840 -0.470 0.000 0.749 89 L CB -0.115 41.657 42.059 -0.480 0.000 0.901 89 L HN 0.369 nan 8.230 nan 0.000 0.433 90 D N -0.993 119.265 120.400 -0.237 0.000 2.785 90 D HA 0.067 4.990 4.640 0.473 0.000 0.324 90 D C -0.080 176.136 176.300 -0.140 0.000 1.523 90 D CA -0.282 53.639 54.000 -0.131 0.000 0.789 90 D CB 0.106 40.836 40.800 -0.117 0.000 1.171 90 D HN 0.032 nan 8.370 nan 0.000 0.447 91 N N 2.173 120.773 118.700 -0.167 0.000 2.142 91 N HA -0.086 4.938 4.740 0.473 0.000 0.282 91 N C -1.532 173.918 175.510 -0.099 0.000 1.342 91 N CA -0.134 52.839 53.050 -0.129 0.000 0.831 91 N CB 1.158 39.565 38.487 -0.134 0.000 1.083 91 N HN 0.292 nan 8.380 nan 0.000 0.492 92 P HA -0.164 nan 4.420 nan 0.000 0.215 92 P C 1.258 178.525 177.300 -0.054 0.000 1.153 92 P CA 1.336 64.404 63.100 -0.054 0.000 0.853 92 P CB 0.031 31.706 31.700 -0.042 0.000 0.788 93 S N -1.825 113.842 115.700 -0.056 0.000 2.547 93 S HA -0.066 4.688 4.470 0.473 0.000 0.235 93 S C 0.629 175.192 174.600 -0.062 0.000 0.980 93 S CA 0.146 58.316 58.200 -0.050 0.000 0.941 93 S CB -1.209 61.964 63.200 -0.045 0.000 0.763 93 S HN 0.007 nan 8.310 nan 0.000 0.532 94 D N 1.618 121.967 120.400 -0.086 0.000 2.399 94 D HA 0.579 5.503 4.640 0.473 0.000 0.241 94 D C 0.536 176.777 176.300 -0.099 0.000 1.133 94 D CA 0.773 54.705 54.000 -0.113 0.000 0.890 94 D CB 1.018 41.712 40.800 -0.177 0.000 1.201 94 D HN 0.407 nan 8.370 nan 0.000 0.432 95 G N 0.283 109.025 108.800 -0.096 0.000 3.013 95 G HA2 0.371 4.615 3.960 0.473 0.000 0.278 95 G HA3 0.371 4.615 3.960 0.473 0.000 0.278 95 G C 1.081 175.916 174.900 -0.107 0.000 1.353 95 G CA -0.690 44.362 45.100 -0.079 0.000 1.043 95 G HN 0.464 nan 8.290 nan 0.000 0.523 96 I N -0.189 120.341 120.570 -0.068 0.000 2.185 96 I HA -0.240 4.214 4.170 0.473 0.000 0.246 96 I C 2.666 178.741 176.117 -0.071 0.000 1.088 96 I CA 1.155 62.416 61.300 -0.066 0.000 1.347 96 I CB -0.175 37.829 38.000 0.006 0.000 1.041 96 I HN 0.310 nan 8.210 nan 0.000 0.415 97 L N -0.039 121.173 121.223 -0.018 0.000 2.083 97 L HA -0.243 4.381 4.340 0.473 0.000 0.209 97 L C 2.098 178.964 176.870 -0.007 0.000 1.083 97 L CA 1.304 56.167 54.840 0.039 0.000 0.752 97 L CB -0.708 41.397 42.059 0.077 0.000 0.899 97 L HN 0.335 nan 8.230 nan 0.000 0.433 98 D N -0.081 120.276 120.400 -0.073 0.000 2.178 98 D HA -0.126 4.798 4.640 0.473 0.000 0.202 98 D C 2.049 178.206 176.300 -0.237 0.000 0.974 98 D CA 0.875 54.802 54.000 -0.122 0.000 0.841 98 D CB 0.058 40.782 40.800 -0.127 0.000 0.953 98 D HN 0.305 nan 8.370 nan 0.000 0.478 99 K N 0.448 120.640 120.400 -0.347 0.000 2.167 99 K HA 0.016 4.619 4.320 0.473 0.000 0.203 99 K C 2.076 178.485 176.600 -0.318 0.000 1.052 99 K CA 0.517 56.471 56.287 -0.556 0.000 0.956 99 K CB -0.519 31.390 32.500 -0.986 0.000 0.735 99 K HN 0.059 nan 8.250 nan 0.000 0.451 100 T N 1.572 115.956 114.554 -0.284 0.000 2.821 100 T HA -0.123 4.511 4.350 0.473 0.000 0.267 100 T C 1.947 176.339 174.700 -0.513 0.000 1.046 100 T CA 1.165 63.033 62.100 -0.387 0.000 1.139 100 T CB -0.065 68.447 68.868 -0.593 0.000 0.871 100 T HN 0.292 nan 8.240 nan 0.000 0.454 101 R N 1.125 121.399 120.500 -0.376 0.000 2.096 101 R HA -0.075 4.548 4.340 0.473 0.000 0.235 101 R C 2.250 178.536 176.300 -0.024 0.000 1.127 101 R CA 1.496 57.531 56.100 -0.109 0.000 0.968 101 R CB -0.079 30.289 30.300 0.114 0.000 0.861 101 R HN 0.259 nan 8.270 nan 0.000 0.440 102 K N -0.124 120.239 120.400 -0.061 0.000 2.148 102 K HA -0.036 4.568 4.320 0.473 0.000 0.204 102 K C 1.899 178.565 176.600 0.111 0.000 1.050 102 K CA 0.922 57.216 56.287 0.012 0.000 0.942 102 K CB 0.124 32.567 32.500 -0.095 0.000 0.724 102 K HN 0.186 nan 8.250 nan 0.000 0.446 103 I N 0.001 120.601 120.570 0.051 0.000 2.480 103 I HA -0.134 4.320 4.170 0.473 0.000 0.251 103 I C 1.576 177.573 176.117 -0.200 0.000 1.124 103 I CA 1.575 62.862 61.300 -0.023 0.000 1.444 103 I CB -0.738 37.227 38.000 -0.058 0.000 1.098 103 I HN 0.199 nan 8.210 nan 0.000 0.428 104 H N -0.285 118.726 119.070 -0.099 0.000 2.451 104 H HA 0.227 5.067 4.556 0.473 0.000 0.294 104 H C 2.055 177.434 175.328 0.084 0.000 1.028 104 H CA 1.055 57.063 56.048 -0.066 0.000 1.349 104 H CB 0.656 30.335 29.762 -0.139 0.000 1.444 104 H HN 0.148 nan 8.280 nan 0.000 0.538 105 I N -0.738 119.977 120.570 0.241 0.000 3.632 105 I HA -0.002 4.452 4.170 0.473 0.000 0.246 105 I C 0.126 176.399 176.117 0.260 0.000 1.125 105 I CA 0.039 61.494 61.300 0.259 0.000 1.519 105 I CB 0.317 38.452 38.000 0.225 0.000 1.555 105 I HN -0.041 nan 8.210 nan 0.000 0.452 106 D N 2.261 122.774 120.400 0.188 0.000 3.032 106 D HA 0.012 4.935 4.640 0.473 0.000 0.241 106 D C 0.632 177.059 176.300 0.212 0.000 1.196 106 D CA 0.044 54.132 54.000 0.147 0.000 0.927 106 D CB -0.292 40.590 40.800 0.138 0.000 1.129 106 D HN 0.475 nan 8.370 nan 0.000 0.458 107 Y N -0.963 119.392 120.300 0.091 0.000 2.502 107 Y HA 0.303 5.138 4.550 0.474 0.000 0.295 107 Y C 0.130 176.073 175.900 0.072 0.000 1.193 107 Y CA -0.442 57.726 58.100 0.113 0.000 1.295 107 Y CB -0.252 38.244 38.460 0.060 0.000 1.059 107 Y HN -0.085 nan 8.280 nan 0.000 0.514 108 I N 1.176 121.538 120.570 -0.347 0.000 2.499 108 I HA 0.268 4.722 4.170 0.473 0.000 0.288 108 I C -1.191 174.696 176.117 -0.384 0.000 1.048 108 I CA -1.048 59.920 61.300 -0.554 0.000 1.062 108 I CB 1.938 39.391 38.000 -0.910 0.000 1.238 108 I HN 0.159 nan 8.210 nan 0.000 0.426 109 C N 6.366 125.376 119.300 -0.484 0.000 2.319 109 C HA 0.476 5.220 4.460 0.473 0.000 0.323 109 C C -0.446 174.415 174.990 -0.216 0.000 1.277 109 C CA -0.717 57.971 59.018 -0.551 0.000 1.517 109 C CB 0.206 27.229 27.740 -1.195 0.000 2.206 109 C HN 0.788 nan 8.230 nan 0.000 0.486 110 D N 4.597 124.920 120.400 -0.129 0.000 2.374 110 D HA 0.192 5.116 4.640 0.473 0.000 0.240 110 D C -0.577 175.757 176.300 0.057 0.000 1.229 110 D CA -0.195 53.794 54.000 -0.017 0.000 0.895 110 D CB 0.249 41.030 40.800 -0.032 0.000 1.046 110 D HN 0.455 nan 8.370 nan 0.000 0.498 111 F N 2.597 122.531 119.950 -0.027 0.000 2.379 111 F HA 0.388 5.199 4.527 0.473 0.000 0.332 111 F C -0.307 175.501 175.800 0.014 0.000 1.096 111 F CA -1.235 56.740 58.000 -0.041 0.000 1.105 111 F CB 0.917 39.859 39.000 -0.098 0.000 1.189 111 F HN 0.218 nan 8.300 nan 0.000 0.515 112 I N 6.857 126.998 120.570 -0.715 0.000 2.354 112 I HA 0.177 4.631 4.170 0.473 0.000 0.286 112 I C -0.394 175.407 176.117 -0.526 0.000 1.007 112 I CA -0.498 60.580 61.300 -0.371 0.000 1.167 112 I CB 0.429 38.267 38.000 -0.271 0.000 1.320 112 I HN 0.406 nan 8.210 nan 0.000 0.458 113 F N 4.185 124.062 119.950 -0.122 0.000 2.390 113 F HA 0.161 4.972 4.527 0.473 0.000 0.307 113 F C 1.820 177.628 175.800 0.012 0.000 1.227 113 F CA -0.127 57.917 58.000 0.074 0.000 1.179 113 F CB 0.266 39.372 39.000 0.175 0.000 1.280 113 F HN 0.405 nan 8.300 nan 0.000 0.548 114 D N 0.128 120.698 120.400 0.285 0.000 2.144 114 D HA -0.154 4.770 4.640 0.473 0.000 0.199 114 D C 1.566 177.935 176.300 0.116 0.000 0.984 114 D CA 1.609 55.701 54.000 0.154 0.000 0.834 114 D CB -0.485 40.410 40.800 0.158 0.000 0.955 114 D HN 0.560 nan 8.370 nan 0.000 0.465 115 D N -0.043 120.438 120.400 0.135 0.000 2.363 115 D HA -0.076 4.848 4.640 0.473 0.000 0.226 115 D C 0.311 176.643 176.300 0.054 0.000 1.020 115 D CA 0.249 54.291 54.000 0.070 0.000 0.892 115 D CB -0.291 40.531 40.800 0.037 0.000 0.900 115 D HN 0.248 nan 8.370 nan 0.000 0.531 116 E N -1.098 119.152 120.200 0.084 0.000 3.898 116 E HA -0.216 4.417 4.350 0.473 0.000 0.328 116 E C -0.103 176.529 176.600 0.053 0.000 0.770 116 E CA 0.403 56.836 56.400 0.054 0.000 1.267 116 E CB -0.677 29.036 29.700 0.023 0.000 1.646 116 E HN 0.676 nan 8.360 nan 0.000 0.420 117 R N 0.778 121.314 120.500 0.060 0.000 2.577 117 R HA 0.496 5.119 4.340 0.473 0.000 0.269 117 R C -0.226 176.163 176.300 0.147 0.000 1.084 117 R CA -0.517 55.597 56.100 0.024 0.000 1.163 117 R CB 0.863 31.098 30.300 -0.108 0.000 1.100 117 R HN 0.110 nan 8.270 nan 0.000 0.547 118 L N 1.354 122.641 121.223 0.106 0.000 2.329 118 L HA 0.497 5.121 4.340 0.473 0.000 0.279 118 L C -0.965 176.013 176.870 0.181 0.000 1.014 118 L CA -0.539 54.397 54.840 0.160 0.000 0.814 118 L CB 1.808 43.910 42.059 0.073 0.000 1.257 118 L HN 0.903 nan 8.230 nan 0.000 0.424 119 E N 2.956 123.333 120.200 0.295 0.000 2.352 119 E HA 0.293 4.927 4.350 0.473 0.000 0.280 119 E C -1.316 175.404 176.600 0.201 0.000 0.930 119 E CA -0.821 55.726 56.400 0.245 0.000 0.765 119 E CB 2.077 31.968 29.700 0.318 0.000 1.219 119 E HN 0.545 nan 8.360 nan 0.000 0.434 120 N N 2.880 121.651 118.700 0.119 0.000 2.458 120 N HA 0.263 5.287 4.740 0.473 0.000 0.270 120 N C -0.669 174.883 175.510 0.071 0.000 1.102 120 N CA 0.158 53.219 53.050 0.020 0.000 0.967 120 N CB 0.796 39.263 38.487 -0.033 0.000 1.078 120 N HN 0.361 nan 8.380 nan 0.000 0.471 121 I N 3.071 123.629 120.570 -0.021 0.000 2.406 121 I HA 0.268 4.721 4.170 0.473 0.000 0.290 121 I C -0.457 175.668 176.117 0.013 0.000 0.999 121 I CA -0.584 60.759 61.300 0.072 0.000 1.124 121 I CB 0.690 38.707 38.000 0.030 0.000 1.289 121 I HN 0.276 nan 8.210 nan 0.000 0.441 122 Y N 5.037 125.386 120.300 0.082 0.000 2.342 122 Y HA 0.347 5.181 4.550 0.472 0.000 0.334 122 Y C 1.202 177.227 175.900 0.208 0.000 1.067 122 Y CA -0.413 57.768 58.100 0.134 0.000 1.128 122 Y CB 1.850 40.385 38.460 0.126 0.000 1.200 122 Y HN 0.424 nan 8.280 nan 0.000 0.464 123 L N 3.407 124.866 121.223 0.392 0.000 2.375 123 L HA 0.144 4.768 4.340 0.473 0.000 0.215 123 L C -0.285 176.717 176.870 0.220 0.000 1.108 123 L CA 0.729 55.746 54.840 0.295 0.000 0.830 123 L CB 0.088 42.296 42.059 0.248 0.000 0.959 123 L HN 0.447 nan 8.230 nan 0.000 0.457 124 I N -1.172 119.587 120.570 0.314 0.000 2.802 124 I HA 0.239 4.693 4.170 0.473 0.000 0.298 124 I C -1.227 175.028 176.117 0.230 0.000 1.176 124 I CA -0.568 60.824 61.300 0.153 0.000 1.025 124 I CB 2.140 40.123 38.000 -0.027 0.000 1.243 124 I HN -0.206 nan 8.210 nan 0.000 0.424 125 D N 4.638 125.071 120.400 0.055 0.000 2.467 125 D HA 0.263 5.187 4.640 0.473 0.000 0.220 125 D C 0.588 176.859 176.300 -0.047 0.000 1.103 125 D CA -0.198 53.797 54.000 -0.008 0.000 0.886 125 D CB 1.007 41.747 40.800 -0.100 0.000 1.025 125 D HN 0.452 nan 8.370 nan 0.000 0.514 126 K N 2.124 122.501 120.400 -0.039 0.000 2.314 126 K HA -0.008 4.596 4.320 0.473 0.000 0.198 126 K C 2.045 178.597 176.600 -0.080 0.000 1.045 126 K CA 0.445 56.653 56.287 -0.133 0.000 0.988 126 K CB 0.181 32.521 32.500 -0.267 0.000 0.783 126 K HN 0.257 nan 8.250 nan 0.000 0.484 127 K N 2.108 122.489 120.400 -0.032 0.000 2.031 127 K HA -0.068 4.535 4.320 0.473 0.000 0.205 127 K C 0.890 177.462 176.600 -0.045 0.000 1.049 127 K CA 1.453 57.722 56.287 -0.030 0.000 0.939 127 K CB -0.605 31.887 32.500 -0.013 0.000 0.717 127 K HN 0.307 nan 8.250 nan 0.000 0.438 128 N N 0.655 119.320 118.700 -0.058 0.000 2.904 128 N HA 0.271 5.295 4.740 0.473 0.000 0.257 128 N C 0.556 176.029 175.510 -0.062 0.000 1.363 128 N CA -0.189 52.830 53.050 -0.053 0.000 0.856 128 N CB 0.317 38.770 38.487 -0.057 0.000 1.166 128 N HN 0.215 nan 8.380 nan 0.000 0.499 129 L N 1.298 122.482 121.223 -0.065 0.000 2.043 129 L HA -0.194 4.429 4.340 0.473 0.000 0.212 129 L C 2.124 178.949 176.870 -0.075 0.000 1.075 129 L CA 1.241 56.030 54.840 -0.085 0.000 0.752 129 L CB -0.155 41.838 42.059 -0.109 0.000 0.891 129 L HN 0.672 nan 8.230 nan 0.000 0.432 130 M N -1.133 118.438 119.600 -0.049 0.000 2.557 130 M HA -0.102 4.662 4.480 0.473 0.000 0.259 130 M C 2.067 178.329 176.300 -0.064 0.000 1.086 130 M CA 1.121 56.391 55.300 -0.049 0.000 1.096 130 M CB -0.946 31.646 32.600 -0.013 0.000 1.424 130 M HN 0.233 nan 8.290 nan 0.000 0.488 131 R N 0.573 121.035 120.500 -0.063 0.000 2.152 131 R HA -0.010 4.614 4.340 0.473 0.000 0.232 131 R C 0.546 176.801 176.300 -0.075 0.000 1.117 131 R CA 0.320 56.379 56.100 -0.068 0.000 0.981 131 R CB -0.217 30.040 30.300 -0.072 0.000 0.870 131 R HN 0.436 nan 8.270 nan 0.000 0.451 132 N N 2.295 120.947 118.700 -0.080 0.000 2.412 132 N HA -0.081 4.943 4.740 0.473 0.000 0.254 132 N C -0.220 175.229 175.510 -0.101 0.000 1.232 132 N CA 0.634 53.634 53.050 -0.084 0.000 0.880 132 N CB 0.791 39.224 38.487 -0.090 0.000 1.076 132 N HN -0.056 nan 8.380 nan 0.000 0.458 133 K N 2.195 122.538 120.400 -0.094 0.000 2.253 133 K HA 0.278 4.881 4.320 0.473 0.000 0.277 133 K C -0.867 175.662 176.600 -0.118 0.000 1.053 133 K CA -0.688 55.536 56.287 -0.105 0.000 0.892 133 K CB 0.460 32.912 32.500 -0.080 0.000 1.102 133 K HN 0.278 nan 8.250 nan 0.000 0.469 134 V N 1.640 121.451 119.914 -0.172 0.000 2.532 134 V HA 0.613 5.017 4.120 0.473 0.000 0.295 134 V C -0.534 175.528 176.094 -0.053 0.000 1.041 134 V CA -0.671 61.531 62.300 -0.164 0.000 0.926 134 V CB 1.265 32.849 31.823 -0.398 0.000 0.992 134 V HN 0.824 nan 8.190 nan 0.000 0.457 135 Q N 2.823 122.660 119.800 0.062 0.000 2.462 135 Q HA 0.723 5.347 4.340 0.473 0.000 0.285 135 Q C -1.376 174.701 176.000 0.129 0.000 1.035 135 Q CA -0.833 55.027 55.803 0.095 0.000 0.799 135 Q CB 3.243 31.982 28.738 0.001 0.000 1.452 135 Q HN 0.938 nan 8.270 nan 0.000 0.404 136 I N -0.879 119.777 120.570 0.144 0.000 2.608 136 I HA 0.738 5.191 4.170 0.473 0.000 0.295 136 I C -0.507 175.676 176.117 0.111 0.000 1.049 136 I CA -1.010 60.386 61.300 0.161 0.000 1.063 136 I CB 1.517 39.648 38.000 0.219 0.000 1.248 136 I HN 0.630 nan 8.210 nan 0.000 0.424 137 I N 2.128 122.765 120.570 0.112 0.000 3.108 137 I HA 0.674 5.128 4.170 0.473 0.000 0.312 137 I C -0.733 175.555 176.117 0.286 0.000 1.095 137 I CA -0.825 60.520 61.300 0.076 0.000 1.000 137 I CB 2.134 40.163 38.000 0.047 0.000 1.229 137 I HN 0.909 nan 8.210 nan 0.000 0.454 138 Q N 1.532 121.530 119.800 0.329 0.000 2.486 138 Q HA 0.365 4.989 4.340 0.473 0.000 0.274 138 Q C -1.132 174.995 176.000 0.213 0.000 1.076 138 Q CA -1.004 54.966 55.803 0.279 0.000 0.872 138 Q CB 0.894 29.814 28.738 0.304 0.000 1.383 138 Q HN 0.668 nan 8.270 nan 0.000 0.478 139 Q N 1.419 121.294 119.800 0.126 0.000 2.244 139 Q HA 0.079 4.703 4.340 0.473 0.000 0.276 139 Q C -0.995 175.052 176.000 0.078 0.000 1.122 139 Q CA 0.144 55.964 55.803 0.029 0.000 0.920 139 Q CB -0.564 28.145 28.738 -0.049 0.000 1.186 139 Q HN 0.573 nan 8.270 nan 0.000 0.393 150 Y N 2.108 122.408 120.300 0.000 0.000 2.341 150 Y HA 0.683 5.517 4.550 0.474 0.000 0.340 150 Y C -0.017 175.898 175.900 0.025 0.000 0.997 150 Y CA -0.953 57.157 58.100 0.016 0.000 1.149 150 Y CB 1.721 40.195 38.460 0.023 0.000 1.171 150 Y HN 0.679 nan 8.280 nan 0.000 0.494 151 D N 1.477 121.963 120.400 0.143 0.000 2.645 151 D HA 0.606 5.530 4.640 0.473 0.000 0.228 151 D C -1.246 175.128 176.300 0.125 0.000 1.148 151 D CA -0.500 53.569 54.000 0.116 0.000 0.860 151 D CB 2.935 43.771 40.800 0.060 0.000 1.548 151 D HN 0.177 nan 8.370 nan 0.000 0.460 152 V N 1.080 121.068 119.914 0.125 0.000 2.531 152 V HA 0.476 4.880 4.120 0.473 0.000 0.301 152 V C -0.247 175.908 176.094 0.102 0.000 1.034 152 V CA -0.487 61.888 62.300 0.125 0.000 0.865 152 V CB 2.060 33.949 31.823 0.110 0.000 0.995 152 V HN 0.540 nan 8.190 nan 0.000 0.424 153 T N 6.025 120.649 114.554 0.117 0.000 2.794 153 T HA 0.646 5.280 4.350 0.473 0.000 0.280 153 T C -0.208 174.498 174.700 0.010 0.000 0.987 153 T CA -0.185 61.964 62.100 0.082 0.000 0.993 153 T CB 1.194 70.168 68.868 0.177 0.000 0.939 153 T HN 0.364 nan 8.240 nan 0.000 0.449 154 I N 3.559 124.090 120.570 -0.065 0.000 2.342 154 I HA 0.319 4.772 4.170 0.473 0.000 0.291 154 I C -0.264 175.810 176.117 -0.072 0.000 1.010 154 I CA -0.550 60.705 61.300 -0.075 0.000 1.308 154 I CB 0.791 38.694 38.000 -0.161 0.000 1.400 154 I HN 0.342 nan 8.210 nan 0.000 0.488 155 L N 7.091 128.286 121.223 -0.046 0.000 2.296 155 L HA 0.543 5.167 4.340 0.473 0.000 0.286 155 L C -0.680 176.148 176.870 -0.071 0.000 1.023 155 L CA -0.910 53.882 54.840 -0.081 0.000 0.812 155 L CB 1.474 43.486 42.059 -0.078 0.000 1.223 155 L HN 0.255 nan 8.230 nan 0.000 0.421 156 V N 3.111 122.969 119.914 -0.094 0.000 2.384 156 V HA 0.258 4.662 4.120 0.473 0.000 0.287 156 V C 0.184 176.225 176.094 -0.088 0.000 1.020 156 V CA -0.805 61.441 62.300 -0.091 0.000 0.850 156 V CB 1.184 32.950 31.823 -0.095 0.000 0.987 156 V HN 0.896 nan 8.190 nan 0.000 0.436 157 N N 4.265 122.921 118.700 -0.073 0.000 2.716 157 N HA -0.254 4.770 4.740 0.473 0.000 0.250 157 N C 1.233 176.704 175.510 -0.065 0.000 1.033 157 N CA 1.380 54.397 53.050 -0.055 0.000 0.727 157 N CB -1.045 37.428 38.487 -0.023 0.000 0.950 157 N HN 1.516 nan 8.380 nan 0.000 0.541 158 G N -1.622 107.129 108.800 -0.081 0.000 2.241 158 G HA2 -0.320 3.924 3.960 0.473 0.000 0.244 158 G HA3 -0.320 3.924 3.960 0.473 0.000 0.244 158 G C 0.043 174.862 174.900 -0.135 0.000 0.998 158 G CA 0.365 45.412 45.100 -0.089 0.000 0.621 158 G HN 0.386 nan 8.290 nan 0.000 0.519 159 L N 2.733 123.854 121.223 -0.170 0.000 2.305 159 L HA 0.366 4.989 4.340 0.473 0.000 0.281 159 L C -1.776 174.966 176.870 -0.214 0.000 1.085 159 L CA -1.866 52.819 54.840 -0.258 0.000 0.813 159 L CB 1.073 42.921 42.059 -0.353 0.000 1.157 159 L HN -0.012 nan 8.230 nan 0.000 0.436 160 P HA 0.098 nan 4.420 nan 0.000 0.274 160 P C 0.171 177.368 177.300 -0.171 0.000 1.291 160 P CA 0.075 63.010 63.100 -0.276 0.000 0.815 160 P CB 0.781 32.114 31.700 -0.610 0.000 0.897 161 L N 2.783 123.924 121.223 -0.137 0.000 2.672 161 L HA 0.216 4.840 4.340 0.473 0.000 0.236 161 L C 0.521 177.303 176.870 -0.146 0.000 1.092 161 L CA 0.152 54.924 54.840 -0.112 0.000 0.887 161 L CB 0.643 42.646 42.059 -0.093 0.000 1.168 161 L HN 0.079 nan 8.230 nan 0.000 0.502 162 V N -0.111 119.709 119.914 -0.156 0.000 2.735 162 V HA 0.420 4.824 4.120 0.473 0.000 0.310 162 V C -0.663 175.338 176.094 -0.155 0.000 1.061 162 V CA -0.674 61.522 62.300 -0.172 0.000 0.913 162 V CB 2.343 34.063 31.823 -0.170 0.000 1.005 162 V HN 0.030 nan 8.190 nan 0.000 0.428 163 Q N 3.030 122.718 119.800 -0.188 0.000 2.309 163 Q HA 0.537 5.160 4.340 0.473 0.000 0.270 163 Q C -1.393 174.666 176.000 0.099 0.000 1.023 163 Q CA -0.554 55.230 55.803 -0.031 0.000 0.758 163 Q CB 2.634 31.370 28.738 -0.002 0.000 1.247 163 Q HN 0.668 nan 8.270 nan 0.000 0.455 164 I N 2.183 122.832 120.570 0.132 0.000 2.301 164 I HA 0.115 4.569 4.170 0.473 0.000 0.292 164 I C 0.375 176.582 176.117 0.149 0.000 1.046 164 I CA -0.141 61.258 61.300 0.166 0.000 1.282 164 I CB 0.769 38.888 38.000 0.198 0.000 1.409 164 I HN 0.336 nan 8.210 nan 0.000 0.484 165 E N 6.181 126.476 120.200 0.158 0.000 2.229 165 E HA 0.524 5.158 4.350 0.473 0.000 0.283 165 E C -1.087 175.578 176.600 0.108 0.000 1.030 165 E CA -0.228 56.257 56.400 0.141 0.000 0.836 165 E CB 0.801 30.594 29.700 0.156 0.000 1.068 165 E HN 0.420 nan 8.360 nan 0.000 0.401 166 L N 4.078 125.363 121.223 0.102 0.000 2.329 166 L HA 0.540 5.164 4.340 0.473 0.000 0.279 166 L C -0.036 176.848 176.870 0.023 0.000 1.014 166 L CA -0.919 53.955 54.840 0.056 0.000 0.814 166 L CB 1.085 43.170 42.059 0.043 0.000 1.257 166 L HN 0.213 nan 8.230 nan 0.000 0.424 167 K N 1.780 122.178 120.400 -0.003 0.000 2.385 167 K HA 0.603 5.207 4.320 0.473 0.000 0.248 167 K C -0.208 176.361 176.600 -0.053 0.000 0.955 167 K CA -0.798 55.478 56.287 -0.018 0.000 0.816 167 K CB 1.796 34.308 32.500 0.019 0.000 1.250 167 K HN 0.488 nan 8.250 nan 0.000 0.434 168 K N 1.598 121.959 120.400 -0.064 0.000 2.440 168 K HA 0.016 4.620 4.320 0.473 0.000 0.270 168 K C 1.013 177.593 176.600 -0.033 0.000 0.980 168 K CA 0.312 56.560 56.287 -0.066 0.000 0.953 168 K CB -0.003 32.466 32.500 -0.051 0.000 0.925 168 K HN 0.448 nan 8.250 nan 0.000 0.497 169 R N 1.010 121.491 120.500 -0.030 0.000 2.139 169 R HA -0.108 4.516 4.340 0.473 0.000 0.243 169 R C 2.560 178.857 176.300 -0.004 0.000 1.145 169 R CA 1.928 58.020 56.100 -0.014 0.000 0.976 169 R CB -1.119 29.174 30.300 -0.013 0.000 0.866 169 R HN 0.951 nan 8.270 nan 0.000 0.449 170 G N 0.549 109.347 108.800 -0.003 0.000 2.440 170 G HA2 -0.172 4.071 3.960 0.473 0.000 0.218 170 G HA3 -0.172 4.071 3.960 0.473 0.000 0.218 170 G C 0.592 175.499 174.900 0.011 0.000 1.154 170 G CA 0.290 45.393 45.100 0.005 0.000 0.767 170 G HN 0.160 nan 8.290 nan 0.000 0.552 171 V N 1.976 121.898 119.914 0.013 0.000 2.529 171 V HA 0.411 4.815 4.120 0.473 0.000 0.292 171 V C 0.984 177.089 176.094 0.019 0.000 1.028 171 V CA -0.532 61.781 62.300 0.022 0.000 1.074 171 V CB 0.539 32.375 31.823 0.022 0.000 0.958 171 V HN 0.488 nan 8.190 nan 0.000 0.481 172 A N 5.618 128.446 122.820 0.014 0.000 2.522 172 A HA 0.217 4.820 4.320 0.473 0.000 0.256 172 A C 1.260 178.841 177.584 -0.005 0.000 1.086 172 A CA -0.068 51.966 52.037 -0.005 0.000 0.763 172 A CB -0.171 18.814 19.000 -0.024 0.000 1.024 172 A HN 0.938 nan 8.150 nan 0.000 0.502 173 I N 1.819 122.395 120.570 0.010 0.000 2.208 173 I HA -0.258 4.196 4.170 0.473 0.000 0.245 173 I C 2.634 178.736 176.117 -0.025 0.000 1.097 173 I CA 1.726 63.063 61.300 0.061 0.000 1.363 173 I CB -0.061 38.029 38.000 0.151 0.000 1.051 173 I HN 0.949 nan 8.210 nan 0.000 0.413 174 R N 0.357 120.671 120.500 -0.310 0.000 2.096 174 R HA -0.264 4.360 4.340 0.473 0.000 0.235 174 R C 2.202 178.352 176.300 -0.250 0.000 1.127 174 R CA 1.896 57.547 56.100 -0.749 0.000 0.968 174 R CB -0.117 29.621 30.300 -0.936 0.000 0.861 174 R HN 0.261 nan 8.270 nan 0.000 0.440 175 E N 0.282 120.419 120.200 -0.105 0.000 2.047 175 E HA -0.084 4.550 4.350 0.473 0.000 0.191 175 E C 1.684 178.302 176.600 0.029 0.000 0.987 175 E CA 1.555 57.956 56.400 0.002 0.000 0.799 175 E CB -0.285 29.439 29.700 0.040 0.000 0.752 175 E HN 0.390 nan 8.360 nan 0.000 0.449 176 A N 0.507 123.352 122.820 0.042 0.000 1.869 176 A HA -0.248 4.356 4.320 0.473 0.000 0.218 176 A C 2.331 179.962 177.584 0.079 0.000 1.203 176 A CA 1.985 54.059 52.037 0.061 0.000 0.638 176 A CB -1.371 17.683 19.000 0.091 0.000 0.831 176 A HN 0.522 nan 8.150 nan 0.000 0.450 177 F N 1.702 121.659 119.950 0.013 0.000 2.126 177 F HA -0.225 4.620 4.527 0.530 0.000 0.299 177 F C 2.570 178.334 175.800 -0.061 0.000 1.096 177 F CA 2.456 60.461 58.000 0.008 0.000 1.255 177 F CB -0.829 38.231 39.000 0.100 0.000 0.997 177 F HN 0.362 nan 8.300 nan 0.000 0.479 178 N N 0.029 118.830 118.700 0.168 0.000 2.348 178 N HA -0.214 4.809 4.740 0.473 0.000 0.185 178 N C 1.676 177.109 175.510 -0.128 0.000 1.019 178 N CA 1.773 54.853 53.050 0.051 0.000 0.880 178 N CB -0.739 37.794 38.487 0.077 0.000 0.965 178 N HN 0.678 nan 8.380 nan 0.000 0.437 179 Q N -0.585 119.137 119.800 -0.130 0.000 1.946 179 Q HA 0.247 4.871 4.340 0.473 0.000 0.199 179 Q C 1.730 177.605 176.000 -0.208 0.000 0.979 179 Q CA 1.595 57.306 55.803 -0.154 0.000 0.834 179 Q CB -0.347 28.326 28.738 -0.108 0.000 0.899 179 Q HN 0.756 nan 8.270 nan 0.000 0.431 191 E N 1.328 121.541 120.200 0.021 0.000 2.950 191 E HA 0.438 5.072 4.350 0.473 0.000 0.234 191 E C -0.444 176.181 176.600 0.042 0.000 0.936 191 E CA -1.291 55.142 56.400 0.054 0.000 1.114 191 E CB 0.160 29.899 29.700 0.065 0.000 1.555 191 E HN 0.697 nan 8.360 nan 0.000 0.488 192 N N 0.703 119.461 118.700 0.096 0.000 2.293 192 N HA -0.094 4.930 4.740 0.473 0.000 0.253 192 N C 0.759 176.416 175.510 0.245 0.000 1.248 192 N CA 0.450 53.623 53.050 0.204 0.000 0.845 192 N CB 0.404 39.097 38.487 0.343 0.000 1.073 192 N HN 0.480 nan 8.380 nan 0.000 0.464 193 S N 1.958 117.760 115.700 0.170 0.000 2.522 193 S HA -0.035 4.719 4.470 0.473 0.000 0.227 193 S C 1.426 176.117 174.600 0.152 0.000 0.986 193 S CA 0.405 58.680 58.200 0.126 0.000 0.929 193 S CB -0.098 63.138 63.200 0.060 0.000 0.769 193 S HN 0.475 nan 8.310 nan 0.000 0.529 194 L N -0.384 120.944 121.223 0.176 0.000 2.456 194 L HA 0.204 4.828 4.340 0.473 0.000 0.224 194 L C 1.438 178.359 176.870 0.085 0.000 1.148 194 L CA 0.749 55.670 54.840 0.134 0.000 0.825 194 L CB -0.624 41.441 42.059 0.009 0.000 0.937 194 L HN 0.247 nan 8.230 nan 0.000 0.450 195 F N 0.052 120.056 119.950 0.090 0.000 2.816 195 F HA -0.047 4.763 4.527 0.472 0.000 0.302 195 F C 1.885 177.703 175.800 0.030 0.000 1.178 195 F CA 0.654 58.683 58.000 0.048 0.000 1.421 195 F CB -0.313 38.692 39.000 0.009 0.000 1.114 195 F HN -0.036 nan 8.300 nan 0.000 0.573 196 K N -1.419 119.062 120.400 0.135 0.000 2.400 196 K HA -0.024 4.580 4.320 0.473 0.000 0.194 196 K C 1.006 177.547 176.600 -0.099 0.000 1.033 196 K CA 0.432 56.724 56.287 0.008 0.000 1.021 196 K CB -0.098 32.354 32.500 -0.081 0.000 0.808 196 K HN 0.250 nan 8.250 nan 0.000 0.505 197 Y N 1.431 121.692 120.300 -0.065 0.000 2.574 197 Y HA -0.043 4.790 4.550 0.472 0.000 0.294 197 Y C 0.584 176.420 175.900 -0.106 0.000 1.142 197 Y CA 0.135 58.175 58.100 -0.099 0.000 1.314 197 Y CB -0.317 38.067 38.460 -0.127 0.000 0.991 197 Y HN -0.040 nan 8.280 nan 0.000 0.555 198 L N 1.541 122.772 121.223 0.013 0.000 2.678 198 L HA -0.215 4.409 4.340 0.473 0.000 0.285 198 L C 1.074 177.875 176.870 -0.115 0.000 1.233 198 L CA 0.420 55.194 54.840 -0.110 0.000 0.920 198 L CB 0.501 42.440 42.059 -0.199 0.000 1.176 198 L HN 0.339 nan 8.230 nan 0.000 0.495 199 Q N 2.696 122.418 119.800 -0.130 0.000 2.422 199 Q HA 0.254 4.878 4.340 0.473 0.000 0.255 199 Q C -0.480 175.493 176.000 -0.045 0.000 0.864 199 Q CA 0.206 55.982 55.803 -0.046 0.000 0.968 199 Q CB 0.892 29.642 28.738 0.021 0.000 1.130 199 Q HN 0.462 nan 8.270 nan 0.000 0.556 200 L N 0.382 121.518 121.223 -0.146 0.000 2.385 200 L HA 0.528 5.152 4.340 0.473 0.000 0.273 200 L C -1.444 175.254 176.870 -0.286 0.000 0.990 200 L CA -0.592 54.200 54.840 -0.080 0.000 0.821 200 L CB 1.342 43.398 42.059 -0.005 0.000 1.279 200 L HN -0.156 nan 8.230 nan 0.000 0.412 201 F N 3.798 123.607 119.950 -0.235 0.000 2.480 201 F HA 0.734 5.546 4.527 0.474 0.000 0.329 201 F C -0.247 175.333 175.800 -0.367 0.000 1.091 201 F CA -0.633 57.072 58.000 -0.493 0.000 0.972 201 F CB 2.194 40.437 39.000 -1.261 0.000 1.150 201 F HN 0.123 nan 8.300 nan 0.000 0.467 202 V N 4.760 124.706 119.914 0.052 0.000 2.588 202 V HA 0.459 4.862 4.120 0.473 0.000 0.304 202 V C -0.708 175.436 176.094 0.083 0.000 1.042 202 V CA -0.854 61.483 62.300 0.062 0.000 0.877 202 V CB 2.040 33.928 31.823 0.109 0.000 0.996 202 V HN 0.636 nan 8.190 nan 0.000 0.425 203 I N 3.298 123.939 120.570 0.119 0.000 2.436 203 I HA 0.807 5.261 4.170 0.473 0.000 0.289 203 I C -0.508 175.641 176.117 0.052 0.000 1.010 203 I CA 0.195 61.588 61.300 0.155 0.000 1.098 203 I CB 1.869 40.059 38.000 0.316 0.000 1.266 203 I HN 0.658 nan 8.210 nan 0.000 0.434 204 S N 4.732 120.444 115.700 0.021 0.000 2.536 204 S HA 0.433 5.186 4.470 0.473 0.000 0.287 204 S C -0.085 174.517 174.600 0.004 0.000 1.101 204 S CA -0.775 57.409 58.200 -0.027 0.000 0.950 204 S CB 1.227 64.369 63.200 -0.097 0.000 1.056 204 S HN 0.882 nan 8.310 nan 0.000 0.481 205 N N 2.749 121.452 118.700 0.005 0.000 2.275 205 N HA 0.365 5.389 4.740 0.473 0.000 0.236 205 N C 1.108 176.615 175.510 -0.004 0.000 1.154 205 N CA -0.083 52.969 53.050 0.003 0.000 0.866 205 N CB 0.540 39.037 38.487 0.016 0.000 1.093 205 N HN 0.878 nan 8.380 nan 0.000 0.515 206 G N 0.813 109.607 108.800 -0.009 0.000 2.640 206 G HA2 -0.425 3.818 3.960 0.473 0.000 0.226 206 G HA3 -0.425 3.818 3.960 0.473 0.000 0.226 206 G C 1.121 176.027 174.900 0.011 0.000 1.222 206 G CA 0.912 46.011 45.100 -0.001 0.000 0.729 206 G HN 0.364 nan 8.290 nan 0.000 0.516 207 T N 0.263 114.825 114.554 0.014 0.000 2.812 207 T HA 0.236 4.870 4.350 0.473 0.000 0.264 207 T C 0.677 175.395 174.700 0.030 0.000 1.042 207 T CA 1.765 63.879 62.100 0.024 0.000 1.140 207 T CB -0.041 68.841 68.868 0.023 0.000 0.870 207 T HN 0.537 nan 8.240 nan 0.000 0.445 208 D N -0.251 120.162 120.400 0.023 0.000 2.601 208 D HA 0.548 5.472 4.640 0.473 0.000 0.230 208 D C -1.245 175.041 176.300 -0.023 0.000 1.106 208 D CA -0.254 53.761 54.000 0.025 0.000 0.873 208 D CB 2.157 42.991 40.800 0.057 0.000 1.515 208 D HN -0.065 nan 8.370 nan 0.000 0.468 209 T N 2.027 116.539 114.554 -0.070 0.000 2.993 209 T HA 0.601 5.235 4.350 0.473 0.000 0.312 209 T C -0.664 173.926 174.700 -0.184 0.000 1.115 209 T CA -0.709 61.238 62.100 -0.255 0.000 1.027 209 T CB 1.490 70.011 68.868 -0.579 0.000 1.116 209 T HN 0.219 nan 8.240 nan 0.000 0.464 210 R N 1.778 122.204 120.500 -0.123 0.000 2.533 210 R HA 0.411 5.035 4.340 0.473 0.000 0.288 210 R C -1.362 175.037 176.300 0.164 0.000 1.039 210 R CA -0.940 55.184 56.100 0.039 0.000 0.909 210 R CB 1.816 32.148 30.300 0.053 0.000 1.195 210 R HN 0.771 nan 8.270 nan 0.000 0.438 211 Y N 1.643 122.035 120.300 0.155 0.000 2.335 211 Y HA 0.770 5.615 4.550 0.492 0.000 0.323 211 Y C -0.566 175.536 175.900 0.337 0.000 1.224 211 Y CA -1.263 56.950 58.100 0.188 0.000 1.241 211 Y CB 0.690 39.304 38.460 0.256 0.000 1.235 211 Y HN 0.468 nan 8.280 nan 0.000 0.492 212 F N -0.412 119.743 119.950 0.343 0.000 2.641 212 F HA 0.860 5.674 4.527 0.478 0.000 0.308 212 F C -0.683 175.334 175.800 0.362 0.000 1.105 212 F CA -2.015 56.143 58.000 0.264 0.000 0.964 212 F CB 0.693 39.821 39.000 0.213 0.000 1.294 212 F HN 0.816 nan 8.300 nan 0.000 0.442 213 A N 1.962 125.057 122.820 0.458 0.000 2.498 213 A HA 0.182 4.786 4.320 0.473 0.000 0.239 213 A C -0.009 177.834 177.584 0.431 0.000 1.068 213 A CA -0.312 51.931 52.037 0.343 0.000 0.766 213 A CB -0.061 19.095 19.000 0.260 0.000 1.003 213 A HN 0.971 nan 8.150 nan 0.000 0.497 214 N N 0.498 119.396 118.700 0.331 0.000 2.497 214 N HA 0.356 5.380 4.740 0.473 0.000 0.271 214 N C -0.366 175.292 175.510 0.247 0.000 1.142 214 N CA 0.441 53.721 53.050 0.384 0.000 0.965 214 N CB 0.469 39.081 38.487 0.209 0.000 1.077 214 N HN 0.726 nan 8.380 nan 0.000 0.462 215 T N 0.125 114.822 114.554 0.238 0.000 2.802 215 T HA 0.120 4.754 4.350 0.473 0.000 0.311 215 T C 0.927 175.693 174.700 0.110 0.000 1.405 215 T CA -0.341 61.847 62.100 0.148 0.000 1.016 215 T CB 1.139 70.081 68.868 0.122 0.000 1.352 215 T HN 0.605 nan 8.240 nan 0.000 0.498 216 T N 0.237 114.837 114.554 0.076 0.000 3.054 216 T HA 0.298 4.931 4.350 0.473 0.000 0.259 216 T C 0.618 175.334 174.700 0.027 0.000 1.092 216 T CA 0.337 62.464 62.100 0.046 0.000 1.121 216 T CB -0.194 68.693 68.868 0.033 0.000 0.912 216 T HN 0.418 nan 8.240 nan 0.000 0.489 217 K N 1.563 121.979 120.400 0.027 0.000 2.451 217 K HA 0.271 4.875 4.320 0.473 0.000 0.280 217 K C 1.293 177.881 176.600 -0.020 0.000 1.020 217 K CA -0.077 56.212 56.287 0.003 0.000 1.008 217 K CB 0.536 33.034 32.500 -0.003 0.000 0.917 217 K HN 0.163 nan 8.250 nan 0.000 0.478 218 R N 1.374 121.861 120.500 -0.023 0.000 2.153 218 R HA -0.091 4.533 4.340 0.473 0.000 0.218 218 R C 0.694 176.948 176.300 -0.076 0.000 1.072 218 R CA 1.408 57.485 56.100 -0.038 0.000 0.990 218 R CB 0.093 30.378 30.300 -0.024 0.000 0.889 218 R HN 0.742 nan 8.270 nan 0.000 0.452 219 D N -0.408 119.951 120.400 -0.068 0.000 2.363 219 D HA -0.103 4.821 4.640 0.473 0.000 0.220 219 D C 0.816 176.963 176.300 -0.254 0.000 0.994 219 D CA 0.588 54.543 54.000 -0.075 0.000 0.890 219 D CB 0.008 40.837 40.800 0.048 0.000 0.906 219 D HN 0.039 nan 8.370 nan 0.000 0.530 220 R N -0.235 120.031 120.500 -0.390 0.000 2.652 220 R HA 0.226 4.850 4.340 0.473 0.000 0.372 220 R C 0.805 176.790 176.300 -0.525 0.000 1.104 220 R CA -0.232 55.338 56.100 -0.883 0.000 1.072 220 R CB 0.025 29.783 30.300 -0.904 0.000 1.367 220 R HN -0.018 nan 8.270 nan 0.000 0.577 221 N N 0.864 119.415 118.700 -0.247 0.000 2.336 221 N HA -0.030 4.994 4.740 0.473 0.000 0.189 221 N C 0.217 175.782 175.510 0.092 0.000 1.113 221 N CA 0.164 53.180 53.050 -0.058 0.000 0.858 221 N CB 0.508 38.965 38.487 -0.050 0.000 0.970 221 N HN 0.205 nan 8.380 nan 0.000 0.471 222 S N -0.985 114.736 115.700 0.035 0.000 2.655 222 S HA 0.126 4.880 4.470 0.473 0.000 0.265 222 S C 1.278 175.768 174.600 -0.184 0.000 1.240 222 S CA -0.647 57.587 58.200 0.057 0.000 0.986 222 S CB 0.371 63.578 63.200 0.011 0.000 0.985 222 S HN 0.086 nan 8.310 nan 0.000 0.562 223 F N 1.710 121.318 119.950 -0.570 0.000 2.120 223 F HA -0.105 4.374 4.527 -0.079 0.000 0.300 223 F C 1.524 177.025 175.800 -0.498 0.000 1.095 223 F CA 2.132 59.576 58.000 -0.925 0.000 1.249 223 F CB -1.043 37.612 39.000 -0.576 0.000 0.995 223 F HN 0.651 nan 8.300 nan 0.000 0.480 224 D N -0.509 119.761 120.400 -0.216 0.000 2.280 224 D HA -0.245 4.678 4.640 0.473 0.000 0.206 224 D C 1.854 177.820 176.300 -0.557 0.000 0.988 224 D CA 1.474 55.263 54.000 -0.351 0.000 0.886 224 D CB -0.604 40.030 40.800 -0.277 0.000 0.914 224 D HN 0.345 nan 8.370 nan 0.000 0.473 225 F N 0.279 120.028 119.950 -0.335 0.000 2.743 225 F HA 0.085 4.905 4.527 0.488 0.000 0.297 225 F C 1.325 176.951 175.800 -0.290 0.000 1.131 225 F CA 0.074 57.928 58.000 -0.243 0.000 1.426 225 F CB -0.475 38.442 39.000 -0.139 0.000 1.116 225 F HN -0.199 nan 8.300 nan 0.000 0.583 226 T N 0.504 114.836 114.554 -0.370 0.000 2.900 226 T HA 0.392 5.025 4.350 0.473 0.000 0.307 226 T C -0.182 174.274 174.700 -0.407 0.000 1.065 226 T CA -0.375 61.508 62.100 -0.362 0.000 1.105 226 T CB 0.808 69.343 68.868 -0.556 0.000 0.979 226 T HN 0.072 nan 8.240 nan 0.000 0.544 227 M N 1.819 121.181 119.600 -0.398 0.000 2.446 227 M HA 0.408 5.172 4.480 0.473 0.000 0.294 227 M C -1.124 175.032 176.300 -0.240 0.000 1.158 227 M CA -0.942 54.105 55.300 -0.423 0.000 0.899 227 M CB 2.048 34.232 32.600 -0.692 0.000 1.687 227 M HN 0.501 nan 8.290 nan 0.000 0.455 228 N N 1.436 120.126 118.700 -0.015 0.000 2.472 228 N HA 0.258 5.282 4.740 0.473 0.000 0.277 228 N C -1.054 174.710 175.510 0.424 0.000 1.081 228 N CA -0.398 52.782 53.050 0.216 0.000 0.973 228 N CB 1.245 39.819 38.487 0.146 0.000 1.105 228 N HN 0.565 nan 8.380 nan 0.000 0.470 229 W N 1.721 123.280 121.300 0.431 0.000 2.124 229 W HA 0.330 5.269 4.660 0.464 0.000 0.356 229 W C 0.004 176.590 176.519 0.112 0.000 1.302 229 W CA -0.023 57.473 57.345 0.251 0.000 1.293 229 W CB 0.460 29.927 29.460 0.013 0.000 1.199 229 W HN 0.465 nan 8.180 nan 0.000 0.606 230 A N 2.819 125.366 122.820 -0.455 0.000 2.515 230 A HA 0.569 5.173 4.320 0.473 0.000 0.299 230 A C -1.468 175.867 177.584 -0.416 0.000 1.179 230 A CA -0.852 51.009 52.037 -0.292 0.000 0.656 230 A CB 1.715 20.611 19.000 -0.173 0.000 1.306 230 A HN 0.553 nan 8.150 nan 0.000 0.459 231 K N -0.234 120.058 120.400 -0.180 0.000 2.280 231 K HA 0.498 5.102 4.320 0.473 0.000 0.234 231 K C 1.313 177.863 176.600 -0.084 0.000 1.028 231 K CA 0.046 56.260 56.287 -0.121 0.000 0.882 231 K CB 1.439 33.937 32.500 -0.004 0.000 1.194 231 K HN 0.747 nan 8.250 nan 0.000 0.458 232 S N 0.214 115.886 115.700 -0.046 0.000 2.383 232 S HA -0.195 4.559 4.470 0.473 0.000 0.229 232 S C 1.388 176.084 174.600 0.159 0.000 1.030 232 S CA 1.926 60.151 58.200 0.041 0.000 1.002 232 S CB -0.535 62.660 63.200 -0.008 0.000 0.829 232 S HN 0.797 nan 8.310 nan 0.000 0.467 233 D N 1.420 121.856 120.400 0.060 0.000 2.392 233 D HA -0.058 4.866 4.640 0.473 0.000 0.228 233 D C 0.320 176.641 176.300 0.034 0.000 1.003 233 D CA 0.564 54.580 54.000 0.026 0.000 0.917 233 D CB -0.874 39.928 40.800 0.004 0.000 0.890 233 D HN 0.386 nan 8.370 nan 0.000 0.532 234 N N -1.554 117.186 118.700 0.067 0.000 2.925 234 N HA -0.150 4.874 4.740 0.473 0.000 0.244 234 N C -0.751 174.790 175.510 0.051 0.000 1.000 234 N CA 1.114 54.217 53.050 0.089 0.000 0.895 234 N CB -2.270 36.310 38.487 0.155 0.000 1.119 234 N HN 0.279 nan 8.380 nan 0.000 0.569 235 T N 1.947 116.518 114.554 0.028 0.000 2.870 235 T HA 0.319 4.952 4.350 0.473 0.000 0.300 235 T C 0.791 175.515 174.700 0.039 0.000 0.989 235 T CA -0.316 61.803 62.100 0.032 0.000 1.139 235 T CB 0.844 69.733 68.868 0.036 0.000 0.920 235 T HN 0.003 nan 8.240 nan 0.000 0.537 236 L N 3.640 124.895 121.223 0.053 0.000 2.436 236 L HA 0.382 5.005 4.340 0.473 0.000 0.265 236 L C 0.544 177.469 176.870 0.093 0.000 1.168 236 L CA 0.226 55.109 54.840 0.071 0.000 0.815 236 L CB 0.446 42.549 42.059 0.073 0.000 1.109 236 L HN 0.620 nan 8.230 nan 0.000 0.462 237 I N 2.934 123.582 120.570 0.130 0.000 2.692 237 I HA 0.161 4.615 4.170 0.473 0.000 0.285 237 I C 1.017 177.254 176.117 0.200 0.000 1.191 237 I CA -0.266 61.130 61.300 0.160 0.000 1.128 237 I CB 0.153 38.252 38.000 0.165 0.000 1.585 237 I HN 0.679 nan 8.210 nan 0.000 0.558 238 K N 1.826 122.312 120.400 0.143 0.000 2.002 238 K HA -0.116 4.488 4.320 0.473 0.000 0.209 238 K C 0.825 177.483 176.600 0.098 0.000 1.048 238 K CA 1.084 57.440 56.287 0.115 0.000 0.930 238 K CB -0.053 32.497 32.500 0.083 0.000 0.714 238 K HN 0.612 nan 8.250 nan 0.000 0.438 239 D N 0.881 121.339 120.400 0.096 0.000 2.362 239 D HA -0.082 4.842 4.640 0.473 0.000 0.242 239 D C 1.072 177.417 176.300 0.075 0.000 1.132 239 D CA -0.034 54.008 54.000 0.071 0.000 0.907 239 D CB 1.310 42.153 40.800 0.072 0.000 1.195 239 D HN -0.030 nan 8.370 nan 0.000 0.429 240 L N 0.957 122.203 121.223 0.038 0.000 2.046 240 L HA -0.211 4.413 4.340 0.473 0.000 0.208 240 L C 2.300 179.218 176.870 0.081 0.000 1.077 240 L CA 1.290 56.152 54.840 0.036 0.000 0.747 240 L CB -0.188 41.874 42.059 0.006 0.000 0.896 240 L HN 0.415 nan 8.230 nan 0.000 0.432 241 K N -0.215 120.231 120.400 0.075 0.000 2.057 241 K HA -0.174 4.430 4.320 0.473 0.000 0.207 241 K C 1.610 178.268 176.600 0.097 0.000 1.049 241 K CA 1.386 57.724 56.287 0.084 0.000 0.931 241 K CB -0.418 32.131 32.500 0.082 0.000 0.714 241 K HN 0.461 nan 8.250 nan 0.000 0.440 242 D N 0.334 120.799 120.400 0.108 0.000 2.117 242 D HA -0.123 4.801 4.640 0.473 0.000 0.198 242 D C 1.851 178.126 176.300 -0.043 0.000 0.982 242 D CA 0.669 54.711 54.000 0.070 0.000 0.828 242 D CB -0.330 40.553 40.800 0.138 0.000 0.967 242 D HN 0.071 nan 8.370 nan 0.000 0.464 243 F N 2.234 122.105 119.950 -0.133 0.000 2.046 243 F HA -0.265 4.548 4.527 0.476 0.000 0.297 243 F C 2.407 177.977 175.800 -0.384 0.000 1.123 243 F CA 1.834 59.684 58.000 -0.249 0.000 1.199 243 F CB -0.674 38.173 39.000 -0.255 0.000 0.972 243 F HN -0.139 nan 8.300 nan 0.000 0.474 244 T N 0.676 115.219 114.554 -0.018 0.000 2.624 244 T HA -0.340 4.294 4.350 0.473 0.000 0.266 244 T C 1.963 176.625 174.700 -0.063 0.000 1.050 244 T CA 2.072 64.165 62.100 -0.012 0.000 1.163 244 T CB -1.076 67.857 68.868 0.109 0.000 0.861 244 T HN 0.412 nan 8.240 nan 0.000 0.443 245 A N 0.773 123.561 122.820 -0.054 0.000 2.206 245 A HA 0.104 4.707 4.320 0.473 0.000 0.211 245 A C 2.240 179.766 177.584 -0.097 0.000 1.158 245 A CA 1.556 53.591 52.037 -0.002 0.000 0.761 245 A CB -0.568 18.500 19.000 0.115 0.000 0.801 245 A HN 0.699 nan 8.150 nan 0.000 0.473 246 T N -4.657 109.731 114.554 -0.277 0.000 3.518 246 T HA -0.071 4.563 4.350 0.473 0.000 0.211 246 T C 1.826 176.264 174.700 -0.438 0.000 0.940 246 T CA 0.777 62.699 62.100 -0.296 0.000 1.307 246 T CB -0.976 67.693 68.868 -0.331 0.000 1.392 246 T HN 0.298 nan 8.240 nan 0.000 0.382 247 C N 0.725 119.400 119.300 -1.042 0.000 2.398 247 C HA 0.059 4.803 4.460 0.473 0.000 0.279 247 C C 2.063 176.653 174.990 -0.665 0.000 1.250 247 C CA 0.541 58.617 59.018 -1.571 0.000 1.786 247 C CB -2.026 24.120 27.740 -2.658 0.000 2.018 247 C HN 0.604 nan 8.230 nan 0.000 0.494 248 F N -0.227 119.355 119.950 -0.613 0.000 2.660 248 F HA 0.174 4.988 4.527 0.478 0.000 0.302 248 F C 1.068 176.817 175.800 -0.084 0.000 1.103 248 F CA -0.584 57.228 58.000 -0.314 0.000 1.340 248 F CB -0.103 38.744 39.000 -0.255 0.000 1.048 248 F HN 0.248 nan 8.300 nan 0.000 0.551 249 Q N 1.924 121.774 119.800 0.083 0.000 2.274 249 Q HA -0.060 4.564 4.340 0.473 0.000 0.280 249 Q C 1.282 177.373 176.000 0.153 0.000 1.047 249 Q CA 0.248 56.136 55.803 0.140 0.000 0.907 249 Q CB 1.172 29.964 28.738 0.090 0.000 1.171 249 Q HN 0.387 nan 8.270 nan 0.000 0.381 250 K N 3.173 123.672 120.400 0.165 0.000 2.044 250 K HA -0.341 4.263 4.320 0.473 0.000 0.224 250 K C 1.752 178.367 176.600 0.025 0.000 1.056 250 K CA 2.021 58.308 56.287 -0.000 0.000 0.962 250 K CB -0.230 32.140 32.500 -0.217 0.000 0.730 250 K HN 0.690 nan 8.250 nan 0.000 0.453 251 H N -0.117 118.935 119.070 -0.030 0.000 2.353 251 H HA -0.115 4.724 4.556 0.472 0.000 0.298 251 H C 1.696 177.033 175.328 0.014 0.000 1.103 251 H CA 2.182 58.225 56.048 -0.009 0.000 1.293 251 H CB -0.079 29.687 29.762 0.007 0.000 1.372 251 H HN 0.360 nan 8.280 nan 0.000 0.501 252 T N 1.965 116.593 114.554 0.124 0.000 2.668 252 T HA -0.093 4.541 4.350 0.473 0.000 0.262 252 T C 2.396 177.040 174.700 -0.093 0.000 1.045 252 T CA 0.795 62.911 62.100 0.027 0.000 1.152 252 T CB -0.510 68.340 68.868 -0.031 0.000 0.864 252 T HN 0.210 nan 8.240 nan 0.000 0.419 253 L N 0.650 121.821 121.223 -0.086 0.000 1.978 253 L HA -0.171 4.452 4.340 0.473 0.000 0.218 253 L C 2.526 179.344 176.870 -0.088 0.000 1.075 253 L CA 1.771 56.556 54.840 -0.091 0.000 0.767 253 L CB -0.490 41.550 42.059 -0.030 0.000 0.890 253 L HN 0.317 nan 8.230 nan 0.000 0.434 254 L N -0.696 120.472 121.223 -0.091 0.000 2.083 254 L HA -0.256 4.368 4.340 0.473 0.000 0.209 254 L C 2.360 179.159 176.870 -0.118 0.000 1.083 254 L CA 1.160 55.931 54.840 -0.115 0.000 0.752 254 L CB -0.695 41.284 42.059 -0.134 0.000 0.899 254 L HN 0.427 nan 8.230 nan 0.000 0.433 255 N N -0.252 118.379 118.700 -0.114 0.000 2.188 255 N HA -0.134 4.890 4.740 0.473 0.000 0.184 255 N C 1.866 177.451 175.510 0.125 0.000 1.018 255 N CA 1.195 54.220 53.050 -0.042 0.000 0.858 255 N CB -0.011 38.479 38.487 0.005 0.000 0.989 255 N HN 0.131 nan 8.380 nan 0.000 0.426 256 V N 1.932 121.926 119.914 0.134 0.000 2.358 256 V HA -0.168 4.236 4.120 0.473 0.000 0.246 256 V C 2.424 178.567 176.094 0.082 0.000 1.047 256 V CA 1.156 63.552 62.300 0.159 0.000 1.035 256 V CB -0.400 31.410 31.823 -0.022 0.000 0.658 256 V HN 0.222 nan 8.190 nan 0.000 0.452 257 L N -0.791 120.430 121.223 -0.004 0.000 2.056 257 L HA -0.113 4.510 4.340 0.473 0.000 0.207 257 L C 2.272 179.102 176.870 -0.067 0.000 1.078 257 L CA 1.132 55.960 54.840 -0.020 0.000 0.749 257 L CB -0.461 41.555 42.059 -0.072 0.000 0.901 257 L HN 0.197 nan 8.230 nan 0.000 0.433 258 V N -1.017 118.818 119.914 -0.132 0.000 2.672 258 V HA 0.011 4.415 4.120 0.473 0.000 0.242 258 V C 1.515 177.475 176.094 -0.223 0.000 1.059 258 V CA 0.997 63.161 62.300 -0.227 0.000 1.081 258 V CB -0.139 31.535 31.823 -0.248 0.000 0.752 258 V HN 0.417 nan 8.190 nan 0.000 0.472 259 N N -1.250 117.280 118.700 -0.283 0.000 2.254 259 N HA 0.119 5.143 4.740 0.473 0.000 0.190 259 N C 0.186 175.288 175.510 -0.681 0.000 1.107 259 N CA 0.370 53.109 53.050 -0.519 0.000 0.869 259 N CB 0.699 38.738 38.487 -0.747 0.000 0.983 259 N HN 0.547 nan 8.380 nan 0.000 0.487 260 Y N -0.120 120.191 120.300 0.018 0.000 2.696 260 Y HA 0.325 5.159 4.550 0.474 0.000 0.255 260 Y C -0.143 175.803 175.900 0.077 0.000 1.103 260 Y CA -0.415 57.709 58.100 0.041 0.000 1.126 260 Y CB 0.725 39.217 38.460 0.052 0.000 1.197 260 Y HN -0.213 nan 8.280 nan 0.000 0.574 261 S N 1.007 116.818 115.700 0.183 0.000 2.707 261 S HA 0.454 5.207 4.470 0.473 0.000 0.312 261 S C -0.407 174.287 174.600 0.157 0.000 1.116 261 S CA -0.619 57.700 58.200 0.199 0.000 1.078 261 S CB 1.581 64.948 63.200 0.279 0.000 0.997 261 S HN -0.021 nan 8.310 nan 0.000 0.477 262 V N 4.258 124.233 119.914 0.102 0.000 2.498 262 V HA 0.444 4.847 4.120 0.473 0.000 0.279 262 V C -0.631 175.519 176.094 0.094 0.000 1.048 262 V CA -0.404 61.941 62.300 0.076 0.000 0.967 262 V CB 0.697 32.551 31.823 0.052 0.000 0.988 262 V HN 0.780 nan 8.190 nan 0.000 0.473 263 F N 5.916 125.793 119.950 -0.123 0.000 2.427 263 F HA 0.548 5.357 4.527 0.471 0.000 0.348 263 F C 0.004 175.784 175.800 -0.034 0.000 1.125 263 F CA -1.712 56.201 58.000 -0.144 0.000 0.989 263 F CB 1.042 39.901 39.000 -0.234 0.000 1.165 263 F HN 0.709 nan 8.300 nan 0.000 0.442 264 D N 1.681 121.905 120.400 -0.294 0.000 2.529 264 D HA 0.185 5.108 4.640 0.473 0.000 0.273 264 D C 0.886 176.979 176.300 -0.344 0.000 1.197 264 D CA -0.140 53.743 54.000 -0.196 0.000 1.070 264 D CB 0.605 41.356 40.800 -0.082 0.000 1.134 264 D HN 0.344 nan 8.370 nan 0.000 0.590 265 S N -1.348 114.247 115.700 -0.175 0.000 2.474 265 S HA -0.118 4.636 4.470 0.473 0.000 0.235 265 S C 1.403 175.886 174.600 -0.195 0.000 0.997 265 S CA 0.681 58.775 58.200 -0.176 0.000 0.949 265 S CB -0.779 62.363 63.200 -0.096 0.000 0.766 265 S HN 0.568 nan 8.310 nan 0.000 0.517 266 S N 0.731 116.315 115.700 -0.193 0.000 2.618 266 S HA 0.238 4.992 4.470 0.473 0.000 0.242 266 S C 0.439 174.921 174.600 -0.198 0.000 0.972 266 S CA -0.511 57.609 58.200 -0.133 0.000 1.004 266 S CB -0.657 62.514 63.200 -0.049 0.000 0.778 266 S HN 0.460 nan 8.310 nan 0.000 0.459 267 Q N 0.113 119.666 119.800 -0.412 0.000 2.461 267 Q HA -0.151 4.472 4.340 0.473 0.000 0.264 267 Q C -0.722 175.127 176.000 -0.251 0.000 1.085 267 Q CA 1.189 56.648 55.803 -0.572 0.000 1.006 267 Q CB -2.578 26.075 28.738 -0.141 0.000 1.437 267 Q HN 0.676 nan 8.270 nan 0.000 0.514 268 T N 1.308 115.730 114.554 -0.219 0.000 2.817 268 T HA 0.456 5.089 4.350 0.473 0.000 0.293 268 T C -0.022 174.743 174.700 0.108 0.000 0.964 268 T CA -0.538 61.556 62.100 -0.010 0.000 1.085 268 T CB 0.937 69.786 68.868 -0.032 0.000 0.921 268 T HN 0.225 nan 8.240 nan 0.000 0.502 269 L N 5.230 126.579 121.223 0.211 0.000 2.282 269 L HA 0.617 5.241 4.340 0.473 0.000 0.288 269 L C -1.524 175.422 176.870 0.126 0.000 1.033 269 L CA -0.433 54.527 54.840 0.200 0.000 0.807 269 L CB 0.442 42.577 42.059 0.126 0.000 1.209 269 L HN 0.454 nan 8.230 nan 0.000 0.423 270 L N 6.274 127.566 121.223 0.114 0.000 2.349 270 L HA 0.545 5.169 4.340 0.473 0.000 0.278 270 L C -0.472 176.490 176.870 0.153 0.000 0.996 270 L CA -0.498 54.418 54.840 0.127 0.000 0.825 270 L CB 1.839 43.962 42.059 0.108 0.000 1.243 270 L HN 0.305 nan 8.230 nan 0.000 0.412 271 V N 3.137 123.173 119.914 0.203 0.000 2.546 271 V HA 0.366 4.769 4.120 0.473 0.000 0.284 271 V C 0.617 176.857 176.094 0.244 0.000 1.050 271 V CA -0.517 61.940 62.300 0.261 0.000 0.981 271 V CB 1.115 33.175 31.823 0.396 0.000 0.990 271 V HN 0.702 nan 8.190 nan 0.000 0.474 272 M N 4.166 123.900 119.600 0.223 0.000 2.242 272 M HA 0.412 5.176 4.480 0.473 0.000 0.344 272 M C 0.314 176.678 176.300 0.107 0.000 1.140 272 M CA 0.009 55.371 55.300 0.103 0.000 1.160 272 M CB 0.650 33.290 32.600 0.067 0.000 1.491 272 M HN 0.578 nan 8.290 nan 0.000 0.459 273 R N 1.806 122.209 120.500 -0.162 0.000 2.528 273 R HA 0.259 4.883 4.340 0.473 0.000 0.271 273 R C -1.836 174.185 176.300 -0.466 0.000 1.056 273 R CA -1.549 54.398 56.100 -0.255 0.000 1.117 273 R CB -0.178 29.777 30.300 -0.575 0.000 1.085 273 R HN 0.342 nan 8.270 nan 0.000 0.530 274 P HA -0.206 nan 4.420 nan 0.000 0.218 274 P C 0.582 177.585 177.300 -0.495 0.000 1.148 274 P CA 1.347 64.075 63.100 -0.620 0.000 0.822 274 P CB -0.058 31.203 31.700 -0.732 0.000 0.784 275 Y N -0.764 119.312 120.300 -0.372 0.000 2.439 275 Y HA -0.051 4.777 4.550 0.463 0.000 0.292 275 Y C 1.966 177.760 175.900 -0.176 0.000 1.130 275 Y CA 0.547 58.459 58.100 -0.313 0.000 1.254 275 Y CB -1.512 36.630 38.460 -0.529 0.000 1.000 275 Y HN 0.021 nan 8.280 nan 0.000 0.554 276 Q N 0.909 120.468 119.800 -0.401 0.000 2.089 276 Q HA 0.025 4.649 4.340 0.473 0.000 0.195 276 Q C 2.313 178.241 176.000 -0.120 0.000 0.963 276 Q CA 1.441 57.208 55.803 -0.061 0.000 0.834 276 Q CB -0.074 28.548 28.738 -0.193 0.000 0.906 276 Q HN 0.537 nan 8.270 nan 0.000 0.452 277 I N 1.518 121.903 120.570 -0.309 0.000 2.163 277 I HA -0.317 4.136 4.170 0.473 0.000 0.243 277 I C 2.565 178.420 176.117 -0.436 0.000 1.085 277 I CA 1.093 62.097 61.300 -0.493 0.000 1.347 277 I CB -0.600 37.011 38.000 -0.648 0.000 1.044 277 I HN 0.181 nan 8.210 nan 0.000 0.408 278 A N 1.020 123.555 122.820 -0.475 0.000 1.873 278 A HA -0.280 4.324 4.320 0.473 0.000 0.218 278 A C 2.577 179.839 177.584 -0.536 0.000 1.193 278 A CA 2.495 54.178 52.037 -0.589 0.000 0.629 278 A CB -1.096 17.390 19.000 -0.856 0.000 0.826 278 A HN 0.469 nan 8.150 nan 0.000 0.447 279 A N -1.248 121.313 122.820 -0.431 0.000 1.883 279 A HA -0.124 4.480 4.320 0.473 0.000 0.217 279 A C 2.341 179.865 177.584 -0.101 0.000 1.186 279 A CA 2.536 54.457 52.037 -0.192 0.000 0.624 279 A CB -1.469 17.468 19.000 -0.106 0.000 0.822 279 A HN 0.480 nan 8.150 nan 0.000 0.444 280 T N 0.477 115.024 114.554 -0.013 0.000 2.684 280 T HA -0.184 4.450 4.350 0.473 0.000 0.267 280 T C 1.851 176.591 174.700 0.067 0.000 1.036 280 T CA 1.788 63.936 62.100 0.080 0.000 1.148 280 T CB -0.400 68.570 68.868 0.169 0.000 0.863 280 T HN 0.888 nan 8.240 nan 0.000 0.436 281 E N 1.081 121.295 120.200 0.023 0.000 2.208 281 E HA -0.080 4.554 4.350 0.473 0.000 0.193 281 E C 2.296 178.997 176.600 0.169 0.000 0.988 281 E CA 0.693 57.182 56.400 0.149 0.000 0.828 281 E CB -0.181 29.620 29.700 0.169 0.000 0.763 281 E HN 0.328 nan 8.360 nan 0.000 0.478 282 R N 0.445 120.898 120.500 -0.078 0.000 2.090 282 R HA 0.055 4.679 4.340 0.473 0.000 0.228 282 R C 2.370 178.772 176.300 0.169 0.000 1.110 282 R CA 1.172 57.259 56.100 -0.022 0.000 0.973 282 R CB -0.199 29.942 30.300 -0.264 0.000 0.869 282 R HN 0.233 nan 8.270 nan 0.000 0.440 283 I N 0.682 121.259 120.570 0.011 0.000 2.163 283 I HA -0.352 4.102 4.170 0.473 0.000 0.243 283 I C 1.985 178.070 176.117 -0.053 0.000 1.085 283 I CA 1.433 62.622 61.300 -0.184 0.000 1.347 283 I CB -0.216 37.524 38.000 -0.433 0.000 1.044 283 I HN 0.182 nan 8.210 nan 0.000 0.408 284 L N -0.934 120.337 121.223 0.080 0.000 2.017 284 L HA -0.245 4.379 4.340 0.473 0.000 0.208 284 L C 2.483 179.515 176.870 0.270 0.000 1.073 284 L CA 1.708 56.639 54.840 0.152 0.000 0.745 284 L CB -0.768 41.397 42.059 0.176 0.000 0.894 284 L HN 0.433 nan 8.230 nan 0.000 0.432 285 W N 1.510 122.954 121.300 0.241 0.000 2.338 285 W HA -0.269 4.676 4.660 0.474 0.000 0.304 285 W C 2.628 179.282 176.519 0.225 0.000 1.212 285 W CA 1.839 59.339 57.345 0.259 0.000 1.264 285 W CB 0.013 29.718 29.460 0.408 0.000 1.142 285 W HN -0.086 nan 8.180 nan 0.000 0.512 286 K N 0.618 121.218 120.400 0.334 0.000 1.985 286 K HA -0.178 4.426 4.320 0.473 0.000 0.210 286 K C 1.937 178.604 176.600 0.111 0.000 1.047 286 K CA 2.560 58.963 56.287 0.192 0.000 0.932 286 K CB -0.945 31.843 32.500 0.479 0.000 0.716 286 K HN 0.314 nan 8.250 nan 0.000 0.439 287 I N 0.811 121.503 120.570 0.204 0.000 2.145 287 I HA -0.377 4.077 4.170 0.473 0.000 0.244 287 I C 2.567 178.634 176.117 -0.084 0.000 1.075 287 I CA 1.591 62.926 61.300 0.059 0.000 1.332 287 I CB -0.385 37.664 38.000 0.082 0.000 1.033 287 I HN 0.230 nan 8.210 nan 0.000 0.410 288 K N 0.832 121.231 120.400 -0.001 0.000 2.026 288 K HA -0.188 4.416 4.320 0.473 0.000 0.208 288 K C 2.437 178.891 176.600 -0.243 0.000 1.048 288 K CA 2.037 58.285 56.287 -0.066 0.000 0.929 288 K CB -0.079 32.455 32.500 0.057 0.000 0.713 288 K HN 0.444 nan 8.250 nan 0.000 0.439 289 S N -0.188 115.255 115.700 -0.429 0.000 2.368 289 S HA -0.078 4.676 4.470 0.473 0.000 0.224 289 S C 2.140 176.587 174.600 -0.256 0.000 1.029 289 S CA 1.494 59.409 58.200 -0.475 0.000 0.988 289 S CB -0.249 62.374 63.200 -0.962 0.000 0.838 289 S HN 0.154 nan 8.310 nan 0.000 0.462 290 S N 1.157 116.756 115.700 -0.167 0.000 2.387 290 S HA -0.066 4.688 4.470 0.473 0.000 0.230 290 S C 1.315 175.965 174.600 0.083 0.000 1.035 290 S CA 1.605 59.812 58.200 0.012 0.000 1.014 290 S CB -0.661 62.666 63.200 0.212 0.000 0.836 290 S HN 0.643 nan 8.310 nan 0.000 0.466 291 F N 2.106 121.994 119.950 -0.103 0.000 2.113 291 F HA -0.126 4.685 4.527 0.473 0.000 0.297 291 F C 2.461 178.175 175.800 -0.143 0.000 1.103 291 F CA 1.569 59.534 58.000 -0.058 0.000 1.248 291 F CB -0.798 37.924 39.000 -0.463 0.000 0.999 291 F HN 0.073 nan 8.300 nan 0.000 0.475 292 T N 0.271 114.809 114.554 -0.027 0.000 2.897 292 T HA -0.149 4.484 4.350 0.473 0.000 0.271 292 T C 1.784 176.368 174.700 -0.192 0.000 1.084 292 T CA 1.189 63.238 62.100 -0.084 0.000 1.123 292 T CB -0.521 68.309 68.868 -0.062 0.000 0.865 292 T HN 0.383 nan 8.240 nan 0.000 0.496 293 A N 0.560 123.244 122.820 -0.227 0.000 2.267 293 A HA 0.285 4.889 4.320 0.473 0.000 0.213 293 A C 0.878 178.212 177.584 -0.418 0.000 1.192 293 A CA -0.026 51.859 52.037 -0.253 0.000 0.851 293 A CB -0.078 18.810 19.000 -0.187 0.000 0.881 293 A HN 0.488 nan 8.150 nan 0.000 0.494 294 K N -0.691 119.336 120.400 -0.621 0.000 3.096 294 K HA -0.210 4.393 4.320 0.473 0.000 0.266 294 K C -0.306 175.494 176.600 -1.333 0.000 1.043 294 K CA 0.929 56.451 56.287 -1.275 0.000 0.758 294 K CB -2.001 29.909 32.500 -0.983 0.000 1.260 294 K HN 0.583 nan 8.250 nan 0.000 0.481 295 N N 0.881 119.110 118.700 -0.785 0.000 2.990 295 N HA 0.260 5.284 4.740 0.473 0.000 0.288 295 N C -0.792 174.575 175.510 -0.239 0.000 1.624 295 N CA -0.897 51.859 53.050 -0.490 0.000 0.961 295 N CB 0.495 38.835 38.487 -0.245 0.000 1.259 295 N HN 0.332 nan 8.380 nan 0.000 0.489 296 W N 0.382 121.637 121.300 -0.074 0.000 2.594 296 W HA 0.615 5.558 4.660 0.472 0.000 0.365 296 W C 0.645 176.937 176.519 -0.378 0.000 1.196 296 W CA -1.300 55.906 57.345 -0.232 0.000 1.258 296 W CB -0.244 29.006 29.460 -0.349 0.000 1.405 296 W HN 0.103 nan 8.180 nan 0.000 0.640 297 S N -0.950 114.498 115.700 -0.420 0.000 3.127 297 S HA -0.235 4.519 4.470 0.473 0.000 0.281 297 S C -0.135 174.178 174.600 -0.478 0.000 1.293 297 S CA 1.427 59.060 58.200 -0.946 0.000 1.156 297 S CB -2.359 60.602 63.200 -0.399 0.000 1.389 297 S HN 0.660 nan 8.310 nan 0.000 0.672 298 K N -0.332 119.923 120.400 -0.243 0.000 2.295 298 K HA 0.605 5.209 4.320 0.473 0.000 0.239 298 K C -2.837 173.734 176.600 -0.048 0.000 0.991 298 K CA -2.502 53.725 56.287 -0.101 0.000 0.845 298 K CB 1.076 33.539 32.500 -0.060 0.000 1.197 298 K HN -0.176 nan 8.250 nan 0.000 0.441 299 P HA -0.190 nan 4.420 nan 0.000 0.223 299 P C 0.709 178.046 177.300 0.062 0.000 1.151 299 P CA 1.030 64.146 63.100 0.026 0.000 0.787 299 P CB 0.083 31.796 31.700 0.021 0.000 0.788 300 E N 0.129 120.357 120.200 0.047 0.000 2.472 300 E HA -0.077 4.557 4.350 0.473 0.000 0.200 300 E C 1.095 177.745 176.600 0.082 0.000 1.046 300 E CA 1.109 57.550 56.400 0.069 0.000 0.871 300 E CB -0.759 28.970 29.700 0.049 0.000 0.806 300 E HN 0.309 nan 8.360 nan 0.000 0.533 301 S N 0.587 116.328 115.700 0.068 0.000 2.425 301 S HA 0.132 4.886 4.470 0.473 0.000 0.225 301 S C 1.498 176.203 174.600 0.175 0.000 1.024 301 S CA 0.331 58.619 58.200 0.147 0.000 0.951 301 S CB 0.088 63.387 63.200 0.164 0.000 0.796 301 S HN 0.421 nan 8.310 nan 0.000 0.498 302 G N 0.735 109.539 108.800 0.006 0.000 3.365 302 G HA2 0.652 4.896 3.960 0.473 0.000 0.185 302 G HA3 0.652 4.896 3.960 0.473 0.000 0.185 302 G C 0.076 174.866 174.900 -0.184 0.000 1.565 302 G CA -0.249 44.578 45.100 -0.456 0.000 0.984 302 G HN 0.985 nan 8.290 nan 0.000 0.604 303 G N -2.439 106.298 108.800 -0.105 0.000 2.347 303 G HA2 0.544 4.788 3.960 0.473 0.000 0.303 303 G HA3 0.544 4.788 3.960 0.473 0.000 0.303 303 G C -1.427 173.655 174.900 0.304 0.000 1.481 303 G CA -0.144 45.116 45.100 0.267 0.000 0.914 303 G HN 1.427 nan 8.290 nan 0.000 0.638 304 Y N -0.515 119.836 120.300 0.084 0.000 2.598 304 Y HA 0.896 5.729 4.550 0.473 0.000 0.340 304 Y C -0.703 175.137 175.900 -0.101 0.000 1.038 304 Y CA -1.995 56.032 58.100 -0.122 0.000 1.100 304 Y CB 1.814 40.184 38.460 -0.151 0.000 1.281 304 Y HN 0.489 nan 8.280 nan 0.000 0.488 305 I N 2.614 123.091 120.570 -0.154 0.000 2.478 305 I HA 0.096 4.550 4.170 0.473 0.000 0.287 305 I C -1.624 174.519 176.117 0.043 0.000 1.042 305 I CA -0.884 60.230 61.300 -0.311 0.000 1.067 305 I CB 1.492 38.886 38.000 -1.009 0.000 1.233 305 I HN 0.899 nan 8.210 nan 0.000 0.431 306 W N 8.134 129.429 121.300 -0.007 0.000 2.298 306 W HA 0.399 5.346 4.660 0.478 0.000 0.327 306 W C -0.968 175.735 176.519 0.307 0.000 0.988 306 W CA -0.794 56.654 57.345 0.171 0.000 1.448 306 W CB 0.042 29.635 29.460 0.221 0.000 1.243 306 W HN 0.485 nan 8.180 nan 0.000 0.388 307 H N 3.986 123.343 119.070 0.477 0.000 2.718 307 H HA 0.110 4.953 4.556 0.478 0.000 0.295 307 H C 0.524 176.037 175.328 0.309 0.000 1.051 307 H CA -0.691 55.544 56.048 0.313 0.000 1.260 307 H CB 1.530 31.528 29.762 0.392 0.000 1.403 307 H HN 0.100 nan 8.280 nan 0.000 0.488 308 T N 2.583 117.279 114.554 0.237 0.000 2.902 308 T HA -0.109 4.525 4.350 0.473 0.000 0.317 308 T C 0.467 175.273 174.700 0.177 0.000 1.064 308 T CA 0.393 62.604 62.100 0.184 0.000 1.130 308 T CB 0.221 69.088 68.868 -0.002 0.000 1.073 308 T HN 0.544 nan 8.240 nan 0.000 0.524 309 T N 4.259 118.906 114.554 0.155 0.000 2.792 309 T HA 0.401 5.035 4.350 0.473 0.000 0.286 309 T C 1.468 176.249 174.700 0.135 0.000 0.970 309 T CA 0.600 62.789 62.100 0.148 0.000 1.187 309 T CB 0.015 68.961 68.868 0.130 0.000 0.915 309 T HN 1.138 nan 8.240 nan 0.000 0.529 310 G N 2.748 111.640 108.800 0.154 0.000 2.175 310 G HA2 -0.339 3.905 3.960 0.473 0.000 0.244 310 G HA3 -0.339 3.905 3.960 0.473 0.000 0.244 310 G C 1.151 176.137 174.900 0.143 0.000 0.982 310 G CA 0.471 45.653 45.100 0.137 0.000 0.641 310 G HN 0.987 nan 8.290 nan 0.000 0.527 311 S N -0.164 115.635 115.700 0.166 0.000 2.555 311 S HA 0.418 5.172 4.470 0.473 0.000 0.230 311 S C 1.835 176.611 174.600 0.292 0.000 0.978 311 S CA 1.308 59.620 58.200 0.187 0.000 0.934 311 S CB 0.227 63.475 63.200 0.080 0.000 0.766 311 S HN 2.369 nan 8.310 nan 0.000 0.533 312 G N 0.958 109.918 108.800 0.267 0.000 2.245 312 G HA2 -0.142 4.102 3.960 0.473 0.000 0.130 312 G HA3 -0.142 4.102 3.960 0.473 0.000 0.130 312 G C 0.388 175.451 174.900 0.270 0.000 1.040 312 G CA 0.010 45.261 45.100 0.253 0.000 0.713 312 G HN 0.410 nan 8.290 nan 0.000 0.488 313 K N -0.590 119.974 120.400 0.273 0.000 2.097 313 K HA -0.005 4.599 4.320 0.473 0.000 0.205 313 K C 2.502 179.140 176.600 0.063 0.000 1.050 313 K CA 1.686 58.114 56.287 0.236 0.000 0.938 313 K CB -0.054 32.618 32.500 0.286 0.000 0.718 313 K HN 0.303 nan 8.250 nan 0.000 0.442 314 T N 2.034 116.676 114.554 0.148 0.000 2.857 314 T HA -0.036 4.598 4.350 0.473 0.000 0.266 314 T C 1.549 176.348 174.700 0.166 0.000 1.048 314 T CA 0.493 62.710 62.100 0.195 0.000 1.139 314 T CB -0.017 68.997 68.868 0.242 0.000 0.874 314 T HN 0.110 nan 8.240 nan 0.000 0.455 315 L N 1.231 122.537 121.223 0.138 0.000 2.017 315 L HA -0.099 4.525 4.340 0.473 0.000 0.208 315 L C 2.186 179.083 176.870 0.045 0.000 1.073 315 L CA 2.027 56.937 54.840 0.117 0.000 0.745 315 L CB -1.397 40.733 42.059 0.119 0.000 0.894 315 L HN 0.258 nan 8.230 nan 0.000 0.432 316 T N -0.031 114.533 114.554 0.017 0.000 2.732 316 T HA -0.102 4.532 4.350 0.473 0.000 0.261 316 T C 2.094 176.684 174.700 -0.183 0.000 1.040 316 T CA 1.634 63.727 62.100 -0.011 0.000 1.145 316 T CB -0.214 68.743 68.868 0.149 0.000 0.866 316 T HN 0.642 nan 8.240 nan 0.000 0.427 317 S N 1.570 116.959 115.700 -0.519 0.000 2.368 317 S HA -0.085 4.669 4.470 0.473 0.000 0.225 317 S C 1.876 176.248 174.600 -0.381 0.000 1.030 317 S CA 0.745 58.561 58.200 -0.641 0.000 0.999 317 S CB -1.147 61.600 63.200 -0.755 0.000 0.844 317 S HN 0.565 nan 8.310 nan 0.000 0.459 318 F N 2.501 121.975 119.950 -0.792 0.000 2.075 318 F HA -0.154 4.656 4.527 0.472 0.000 0.297 318 F C 2.655 178.077 175.800 -0.631 0.000 1.113 318 F CA 1.557 58.812 58.000 -1.241 0.000 1.218 318 F CB -0.137 38.356 39.000 -0.845 0.000 0.984 318 F HN 0.200 nan 8.300 nan 0.000 0.472 319 K N 1.439 121.636 120.400 -0.338 0.000 2.074 319 K HA -0.190 4.414 4.320 0.473 0.000 0.209 319 K C 1.932 178.406 176.600 -0.210 0.000 1.048 319 K CA 1.732 57.833 56.287 -0.309 0.000 0.926 319 K CB -1.001 31.421 32.500 -0.130 0.000 0.713 319 K HN 0.317 nan 8.250 nan 0.000 0.444 320 A N 0.635 123.388 122.820 -0.111 0.000 1.865 320 A HA -0.096 4.507 4.320 0.473 0.000 0.217 320 A C 2.417 179.954 177.584 -0.078 0.000 1.191 320 A CA 2.600 54.620 52.037 -0.028 0.000 0.623 320 A CB -1.341 17.715 19.000 0.093 0.000 0.826 320 A HN 0.447 nan 8.150 nan 0.000 0.444 321 A N -0.327 122.435 122.820 -0.097 0.000 1.896 321 A HA -0.303 4.301 4.320 0.473 0.000 0.220 321 A C 2.260 179.749 177.584 -0.159 0.000 1.206 321 A CA 2.181 54.168 52.037 -0.083 0.000 0.647 321 A CB -0.637 18.318 19.000 -0.075 0.000 0.828 321 A HN 0.566 nan 8.150 nan 0.000 0.455 322 R N -1.007 119.312 120.500 -0.302 0.000 2.091 322 R HA -0.083 4.541 4.340 0.473 0.000 0.238 322 R C 2.127 178.309 176.300 -0.196 0.000 1.136 322 R CA 1.640 57.550 56.100 -0.317 0.000 0.959 322 R CB -0.449 29.549 30.300 -0.503 0.000 0.856 322 R HN 0.579 nan 8.270 nan 0.000 0.437 323 L N -0.396 120.724 121.223 -0.171 0.000 2.156 323 L HA -0.070 4.554 4.340 0.473 0.000 0.208 323 L C 2.543 179.347 176.870 -0.110 0.000 1.095 323 L CA 0.940 55.700 54.840 -0.133 0.000 0.770 323 L CB -0.424 41.565 42.059 -0.117 0.000 0.914 323 L HN 0.223 nan 8.230 nan 0.000 0.439 324 A N 0.200 122.962 122.820 -0.096 0.000 2.024 324 A HA -0.222 4.381 4.320 0.473 0.000 0.220 324 A C 2.405 179.912 177.584 -0.129 0.000 1.164 324 A CA 2.150 54.134 52.037 -0.090 0.000 0.643 324 A CB -0.965 18.010 19.000 -0.042 0.000 0.806 324 A HN 0.534 nan 8.150 nan 0.000 0.451 325 T N -2.385 112.099 114.554 -0.118 0.000 2.995 325 T HA -0.061 4.573 4.350 0.473 0.000 0.269 325 T C 1.349 175.963 174.700 -0.144 0.000 1.091 325 T CA 1.345 63.372 62.100 -0.121 0.000 1.128 325 T CB -0.303 68.514 68.868 -0.086 0.000 0.891 325 T HN 0.615 nan 8.240 nan 0.000 0.492 326 E N 0.659 120.775 120.200 -0.141 0.000 2.409 326 E HA 0.134 4.768 4.350 0.473 0.000 0.198 326 E C 0.007 176.491 176.600 -0.194 0.000 1.024 326 E CA 0.096 56.415 56.400 -0.135 0.000 0.861 326 E CB -0.280 29.355 29.700 -0.108 0.000 0.788 326 E HN 0.590 nan 8.360 nan 0.000 0.521 327 L N 2.329 123.366 121.223 -0.310 0.000 2.369 327 L HA 0.011 4.635 4.340 0.473 0.000 0.279 327 L C 1.062 177.552 176.870 -0.634 0.000 1.108 327 L CA -0.631 53.854 54.840 -0.592 0.000 0.852 327 L CB 0.558 41.990 42.059 -1.045 0.000 1.169 327 L HN 0.081 nan 8.230 nan 0.000 0.452 328 D N 2.651 122.784 120.400 -0.444 0.000 2.264 328 D HA -0.258 4.666 4.640 0.473 0.000 0.208 328 D C 1.541 177.686 176.300 -0.260 0.000 0.966 328 D CA 1.142 54.989 54.000 -0.255 0.000 0.864 328 D CB -0.246 40.498 40.800 -0.094 0.000 0.933 328 D HN 0.572 nan 8.370 nan 0.000 0.499 329 F N -0.272 119.535 119.950 -0.237 0.000 2.615 329 F HA 0.256 5.067 4.527 0.473 0.000 0.297 329 F C 0.731 176.418 175.800 -0.189 0.000 1.124 329 F CA -0.620 57.164 58.000 -0.360 0.000 1.451 329 F CB -0.369 38.005 39.000 -1.044 0.000 1.103 329 F HN -0.246 nan 8.300 nan 0.000 0.569 330 I N 2.569 122.926 120.570 -0.355 0.000 2.474 330 I HA 0.035 4.489 4.170 0.473 0.000 0.287 330 I C 0.675 176.770 176.117 -0.036 0.000 1.048 330 I CA -0.561 60.692 61.300 -0.080 0.000 1.383 330 I CB 0.637 38.527 38.000 -0.184 0.000 1.412 330 I HN 0.220 nan 8.210 nan 0.000 0.531 331 D N 3.874 124.308 120.400 0.057 0.000 2.388 331 D HA 0.086 5.010 4.640 0.473 0.000 0.208 331 D C 0.467 176.773 176.300 0.010 0.000 1.035 331 D CA 0.655 54.677 54.000 0.037 0.000 0.875 331 D CB 1.014 41.859 40.800 0.075 0.000 0.984 331 D HN 0.381 nan 8.370 nan 0.000 0.508 332 K N 0.045 120.456 120.400 0.019 0.000 2.572 332 K HA 0.345 4.949 4.320 0.473 0.000 0.263 332 K C -2.006 174.557 176.600 -0.062 0.000 0.932 332 K CA -0.405 55.850 56.287 -0.055 0.000 0.838 332 K CB 2.563 35.037 32.500 -0.044 0.000 1.366 332 K HN -0.320 nan 8.250 nan 0.000 0.425 333 V N 4.085 123.905 119.914 -0.157 0.000 2.447 333 V HA 0.482 4.886 4.120 0.473 0.000 0.292 333 V C -1.034 174.950 176.094 -0.184 0.000 1.021 333 V CA -0.684 61.560 62.300 -0.093 0.000 0.850 333 V CB 0.988 32.790 31.823 -0.035 0.000 1.005 333 V HN 0.603 nan 8.190 nan 0.000 0.426 334 F N 4.993 124.828 119.950 -0.192 0.000 2.411 334 F HA 0.496 5.306 4.527 0.472 0.000 0.355 334 F C -0.102 175.687 175.800 -0.018 0.000 1.117 334 F CA -0.291 57.607 58.000 -0.170 0.000 1.139 334 F CB 1.115 39.871 39.000 -0.407 0.000 1.120 334 F HN 0.483 nan 8.300 nan 0.000 0.493 335 F N 6.159 126.099 119.950 -0.016 0.000 2.385 335 F HA 0.564 5.375 4.527 0.473 0.000 0.360 335 F C -0.962 174.780 175.800 -0.097 0.000 1.122 335 F CA -1.367 56.593 58.000 -0.067 0.000 1.090 335 F CB 0.807 39.733 39.000 -0.122 0.000 1.150 335 F HN 0.136 nan 8.300 nan 0.000 0.472 336 V N 8.627 128.209 119.914 -0.553 0.000 2.495 336 V HA 0.869 5.273 4.120 0.473 0.000 0.298 336 V C -1.327 174.423 176.094 -0.573 0.000 1.031 336 V CA -0.156 61.869 62.300 -0.457 0.000 0.871 336 V CB 1.445 33.171 31.823 -0.162 0.000 0.988 336 V HN 0.801 nan 8.190 nan 0.000 0.432 337 V N 2.763 122.395 119.914 -0.470 0.000 3.164 337 V HA 0.756 5.160 4.120 0.473 0.000 0.313 337 V C -0.929 175.107 176.094 -0.096 0.000 1.188 337 V CA -0.699 61.404 62.300 -0.328 0.000 1.058 337 V CB 2.044 33.627 31.823 -0.400 0.000 1.110 337 V HN 0.888 nan 8.190 nan 0.000 0.453 338 D N 0.064 120.454 120.400 -0.017 0.000 2.308 338 D HA 0.345 5.269 4.640 0.473 0.000 0.242 338 D C 1.207 177.547 176.300 0.066 0.000 1.059 338 D CA -0.432 53.592 54.000 0.040 0.000 0.830 338 D CB 2.356 43.191 40.800 0.060 0.000 1.161 338 D HN 0.796 nan 8.370 nan 0.000 0.494 339 R N 3.775 124.317 120.500 0.069 0.000 2.139 339 R HA -0.172 4.452 4.340 0.473 0.000 0.243 339 R C 1.455 177.840 176.300 0.142 0.000 1.145 339 R CA 1.109 57.258 56.100 0.082 0.000 0.976 339 R CB -0.124 30.227 30.300 0.084 0.000 0.866 339 R HN 0.291 nan 8.270 nan 0.000 0.449 340 K N 0.340 120.824 120.400 0.139 0.000 2.160 340 K HA -0.153 4.450 4.320 0.473 0.000 0.206 340 K C 0.474 177.174 176.600 0.166 0.000 1.047 340 K CA 1.850 58.213 56.287 0.128 0.000 0.930 340 K CB 0.005 32.560 32.500 0.092 0.000 0.720 340 K HN 0.272 nan 8.250 nan 0.000 0.450 341 D N 0.224 120.728 120.400 0.173 0.000 2.328 341 D HA 0.082 5.005 4.640 0.473 0.000 0.221 341 D C -0.068 176.393 176.300 0.268 0.000 1.072 341 D CA 0.148 54.276 54.000 0.214 0.000 0.850 341 D CB 0.159 41.063 40.800 0.174 0.000 0.922 341 D HN 0.125 nan 8.370 nan 0.000 0.516 342 L N 1.730 123.124 121.223 0.286 0.000 2.397 342 L HA 0.200 4.824 4.340 0.473 0.000 0.271 342 L C 0.610 177.747 176.870 0.446 0.000 1.148 342 L CA 0.032 55.063 54.840 0.320 0.000 0.825 342 L CB 0.657 42.853 42.059 0.227 0.000 1.117 342 L HN 0.020 nan 8.230 nan 0.000 0.456 343 D N 0.646 121.249 120.400 0.339 0.000 2.825 343 D HA 0.012 4.936 4.640 0.473 0.000 0.327 343 D C 0.408 176.837 176.300 0.215 0.000 1.277 343 D CA -0.604 53.600 54.000 0.340 0.000 0.950 343 D CB 0.531 41.609 40.800 0.463 0.000 1.438 343 D HN 0.343 nan 8.370 nan 0.000 0.526 344 Y N 0.432 120.785 120.300 0.088 0.000 2.036 344 Y HA -0.244 4.589 4.550 0.472 0.000 0.273 344 Y C 2.534 178.426 175.900 -0.013 0.000 1.135 344 Y CA 2.961 61.075 58.100 0.024 0.000 1.106 344 Y CB -0.363 38.099 38.460 0.003 0.000 0.976 344 Y HN 0.381 nan 8.280 nan 0.000 0.483 345 Q N -0.275 119.506 119.800 -0.032 0.000 2.124 345 Q HA -0.148 4.476 4.340 0.473 0.000 0.202 345 Q C 2.383 178.222 176.000 -0.267 0.000 0.977 345 Q CA 2.363 58.059 55.803 -0.179 0.000 0.850 345 Q CB -0.847 27.911 28.738 0.033 0.000 0.901 345 Q HN 0.521 nan 8.270 nan 0.000 0.429 346 T N -0.521 113.893 114.554 -0.232 0.000 2.857 346 T HA 0.009 4.643 4.350 0.473 0.000 0.266 346 T C 1.604 175.789 174.700 -0.857 0.000 1.048 346 T CA 1.091 62.899 62.100 -0.486 0.000 1.139 346 T CB -0.056 68.687 68.868 -0.210 0.000 0.874 346 T HN 0.277 nan 8.240 nan 0.000 0.455 347 M N 0.288 119.649 119.600 -0.399 0.000 2.123 347 M HA -0.022 4.741 4.480 0.473 0.000 0.263 347 M C 2.383 178.545 176.300 -0.229 0.000 1.069 347 M CA 1.485 56.646 55.300 -0.232 0.000 1.133 347 M CB -0.288 32.262 32.600 -0.084 0.000 1.356 347 M HN 0.078 nan 8.290 nan 0.000 0.415 348 K N 0.332 120.532 120.400 -0.334 0.000 2.089 348 K HA -0.261 4.343 4.320 0.473 0.000 0.210 348 K C 1.812 178.318 176.600 -0.157 0.000 1.048 348 K CA 1.800 57.910 56.287 -0.296 0.000 0.926 348 K CB 0.049 32.263 32.500 -0.475 0.000 0.714 348 K HN 0.054 nan 8.250 nan 0.000 0.448 349 E N -0.467 119.610 120.200 -0.204 0.000 2.076 349 E HA -0.097 4.537 4.350 0.473 0.000 0.190 349 E C 1.606 178.373 176.600 0.278 0.000 0.979 349 E CA 1.437 57.836 56.400 -0.001 0.000 0.807 349 E CB -0.152 29.500 29.700 -0.080 0.000 0.761 349 E HN 0.504 nan 8.360 nan 0.000 0.454 350 Y N -0.429 119.963 120.300 0.153 0.000 2.314 350 Y HA -0.166 4.667 4.550 0.473 0.000 0.293 350 Y C 2.382 178.391 175.900 0.182 0.000 1.129 350 Y CA 0.536 58.737 58.100 0.168 0.000 1.201 350 Y CB -0.041 38.434 38.460 0.024 0.000 0.999 350 Y HN 0.122 nan 8.280 nan 0.000 0.541 351 Q N 1.962 121.893 119.800 0.217 0.000 2.152 351 Q HA -0.223 4.401 4.340 0.473 0.000 0.206 351 Q C 2.006 178.060 176.000 0.090 0.000 0.985 351 Q CA 2.077 57.950 55.803 0.117 0.000 0.863 351 Q CB -0.236 28.521 28.738 0.032 0.000 0.904 351 Q HN 0.527 nan 8.270 nan 0.000 0.422 352 R N -1.356 119.180 120.500 0.061 0.000 2.148 352 R HA -0.070 4.554 4.340 0.473 0.000 0.227 352 R C 1.499 177.653 176.300 -0.242 0.000 1.103 352 R CA 1.470 57.489 56.100 -0.134 0.000 0.983 352 R CB -0.454 29.674 30.300 -0.286 0.000 0.874 352 R HN 0.279 nan 8.270 nan 0.000 0.451 353 F N 0.656 120.694 119.950 0.147 0.000 2.505 353 F HA 0.258 5.069 4.527 0.473 0.000 0.289 353 F C 0.757 176.613 175.800 0.093 0.000 1.101 353 F CA 0.035 58.115 58.000 0.133 0.000 1.446 353 F CB 0.492 39.622 39.000 0.216 0.000 1.123 353 F HN -0.203 nan 8.300 nan 0.000 0.564 354 S N 0.970 116.841 115.700 0.285 0.000 2.060 354 S HA 0.334 5.087 4.470 0.473 0.000 0.156 354 S C -2.604 172.062 174.600 0.109 0.000 1.690 354 S CA -1.168 57.128 58.200 0.160 0.000 1.238 354 S CB 0.335 63.614 63.200 0.132 0.000 1.150 354 S HN -0.227 nan 8.310 nan 0.000 0.437 355 P HA 0.024 nan 4.420 nan 0.000 0.260 355 P C -0.421 176.905 177.300 0.043 0.000 1.172 355 P CA 0.303 63.432 63.100 0.050 0.000 0.760 355 P CB -0.210 31.507 31.700 0.029 0.000 0.773 356 D N 1.487 121.910 120.400 0.039 0.000 2.956 356 D HA -0.185 4.738 4.640 0.473 0.000 0.206 356 D C -0.190 176.127 176.300 0.029 0.000 1.269 356 D CA 0.901 54.918 54.000 0.029 0.000 0.694 356 D CB -1.875 38.938 40.800 0.021 0.000 0.910 356 D HN 0.186 nan 8.370 nan 0.000 0.389 357 S N -1.264 114.458 115.700 0.037 0.000 2.820 357 S HA 0.233 4.986 4.470 0.473 0.000 0.265 357 S C -0.054 174.563 174.600 0.029 0.000 1.043 357 S CA -0.513 57.707 58.200 0.035 0.000 1.245 357 S CB 1.382 64.609 63.200 0.045 0.000 1.187 357 S HN 0.257 nan 8.310 nan 0.000 0.673 358 V N 5.039 124.972 119.914 0.033 0.000 2.419 358 V HA 0.598 5.002 4.120 0.473 0.000 0.287 358 V C -0.506 175.588 176.094 0.000 0.000 1.017 358 V CA -0.494 61.824 62.300 0.030 0.000 0.844 358 V CB 1.065 32.942 31.823 0.089 0.000 1.011 358 V HN 0.634 nan 8.190 nan 0.000 0.429 359 N N 2.991 121.653 118.700 -0.062 0.000 3.427 359 N HA 0.147 5.170 4.740 0.473 0.000 0.313 359 N C 0.831 176.171 175.510 -0.283 0.000 1.491 359 N CA -0.224 52.716 53.050 -0.183 0.000 0.870 359 N CB 1.367 39.749 38.487 -0.174 0.000 1.763 359 N HN 0.365 nan 8.380 nan 0.000 0.502 360 G N 0.325 108.774 108.800 -0.585 0.000 2.448 360 G HA2 -0.075 4.169 3.960 0.473 0.000 0.218 360 G HA3 -0.075 4.169 3.960 0.473 0.000 0.218 360 G C 0.778 175.592 174.900 -0.144 0.000 1.135 360 G CA 1.204 45.886 45.100 -0.696 0.000 0.784 360 G HN 0.809 nan 8.290 nan 0.000 0.543 361 S N -0.116 115.515 115.700 -0.114 0.000 2.589 361 S HA 0.154 4.907 4.470 0.473 0.000 0.265 361 S C 1.115 175.731 174.600 0.026 0.000 1.342 361 S CA -0.026 58.172 58.200 -0.003 0.000 1.005 361 S CB 1.114 64.310 63.200 -0.007 0.000 0.909 361 S HN 0.172 nan 8.310 nan 0.000 0.555 362 E N 0.735 120.962 120.200 0.045 0.000 2.371 362 E HA 0.070 4.704 4.350 0.473 0.000 0.194 362 E C -0.047 176.577 176.600 0.039 0.000 1.012 362 E CA 0.075 56.504 56.400 0.048 0.000 0.860 362 E CB -0.457 29.274 29.700 0.052 0.000 0.811 362 E HN 0.588 nan 8.360 nan 0.000 0.502 363 N N 1.697 120.416 118.700 0.032 0.000 2.357 363 N HA -0.066 4.958 4.740 0.473 0.000 0.257 363 N C 1.125 176.657 175.510 0.036 0.000 1.250 363 N CA 0.693 53.761 53.050 0.031 0.000 0.862 363 N CB 0.927 39.429 38.487 0.024 0.000 1.066 363 N HN 0.152 nan 8.380 nan 0.000 0.468 364 T N -1.915 112.663 114.554 0.040 0.000 3.022 364 T HA 0.212 4.846 4.350 0.473 0.000 0.250 364 T C 1.699 176.426 174.700 0.045 0.000 1.060 364 T CA 0.233 62.363 62.100 0.050 0.000 1.013 364 T CB 0.151 69.053 68.868 0.058 0.000 0.982 364 T HN 0.404 nan 8.240 nan 0.000 0.508 365 A N 2.136 124.977 122.820 0.035 0.000 1.903 365 A HA 0.060 4.664 4.320 0.473 0.000 0.219 365 A C 2.602 180.205 177.584 0.031 0.000 1.191 365 A CA 2.152 54.206 52.037 0.029 0.000 0.638 365 A CB -1.728 17.286 19.000 0.024 0.000 0.823 365 A HN 0.630 nan 8.150 nan 0.000 0.451 366 G N -0.491 108.329 108.800 0.032 0.000 2.446 366 G HA2 -0.169 4.074 3.960 0.473 0.000 0.217 366 G HA3 -0.169 4.074 3.960 0.473 0.000 0.217 366 G C 1.476 176.402 174.900 0.044 0.000 1.168 366 G CA 1.303 46.424 45.100 0.035 0.000 0.771 366 G HN 0.531 nan 8.290 nan 0.000 0.551 367 L N 1.815 123.074 121.223 0.059 0.000 1.994 367 L HA -0.027 4.596 4.340 0.473 0.000 0.208 367 L C 2.799 179.716 176.870 0.079 0.000 1.071 367 L CA 2.708 57.599 54.840 0.085 0.000 0.745 367 L CB -0.729 41.403 42.059 0.121 0.000 0.892 367 L HN 0.481 nan 8.230 nan 0.000 0.431 368 K N -0.937 119.502 120.400 0.064 0.000 2.504 368 K HA -0.156 4.448 4.320 0.473 0.000 0.195 368 K C 2.083 178.699 176.600 0.027 0.000 1.036 368 K CA 1.036 57.351 56.287 0.047 0.000 0.984 368 K CB -0.233 32.286 32.500 0.032 0.000 0.788 368 K HN 0.411 nan 8.250 nan 0.000 0.488 369 R N 1.176 121.692 120.500 0.026 0.000 2.123 369 R HA 0.059 4.683 4.340 0.473 0.000 0.209 369 R C 1.316 177.623 176.300 0.012 0.000 1.078 369 R CA 0.722 56.831 56.100 0.016 0.000 1.028 369 R CB -0.129 30.181 30.300 0.017 0.000 0.939 369 R HN 0.266 nan 8.270 nan 0.000 0.463 370 N N 0.795 119.505 118.700 0.016 0.000 2.149 370 N HA -0.190 4.834 4.740 0.473 0.000 0.188 370 N C 1.604 177.105 175.510 -0.015 0.000 1.019 370 N CA 0.975 54.028 53.050 0.005 0.000 0.857 370 N CB -0.051 38.443 38.487 0.011 0.000 0.997 370 N HN 0.051 nan 8.380 nan 0.000 0.426 371 L N 1.287 122.508 121.223 -0.004 0.000 2.129 371 L HA -0.176 4.448 4.340 0.473 0.000 0.212 371 L C 0.650 177.511 176.870 -0.014 0.000 1.087 371 L CA 1.761 56.596 54.840 -0.008 0.000 0.757 371 L CB -0.367 41.716 42.059 0.040 0.000 0.896 371 L HN 0.234 nan 8.230 nan 0.000 0.434 372 D N -1.568 118.828 120.400 -0.008 0.000 2.368 372 D HA 0.027 4.950 4.640 0.473 0.000 0.218 372 D C 0.351 176.646 176.300 -0.008 0.000 1.112 372 D CA -0.054 53.940 54.000 -0.009 0.000 0.834 372 D CB 0.068 40.863 40.800 -0.007 0.000 0.953 372 D HN 0.028 nan 8.370 nan 0.000 0.505 373 K N 1.956 122.350 120.400 -0.009 0.000 2.402 373 K HA 0.212 4.815 4.320 0.473 0.000 0.285 373 K C 0.205 176.800 176.600 -0.008 0.000 1.054 373 K CA -0.182 56.102 56.287 -0.006 0.000 1.001 373 K CB -0.562 31.936 32.500 -0.004 0.000 0.946 373 K HN 0.291 nan 8.250 nan 0.000 0.473 374 D N 2.045 122.443 120.400 -0.004 0.000 2.449 374 D HA 0.021 4.945 4.640 0.473 0.000 0.236 374 D C 0.413 176.710 176.300 -0.004 0.000 1.149 374 D CA 0.135 54.132 54.000 -0.004 0.000 0.878 374 D CB -0.002 40.797 40.800 -0.001 0.000 1.198 374 D HN 0.663 nan 8.370 nan 0.000 0.446 375 D N -1.000 119.398 120.400 -0.004 0.000 2.720 375 D HA -0.229 4.695 4.640 0.473 0.000 0.229 375 D C -0.271 176.027 176.300 -0.004 0.000 1.198 375 D CA 1.719 55.717 54.000 -0.004 0.000 0.639 375 D CB -1.175 39.625 40.800 0.000 0.000 1.003 375 D HN 0.808 nan 8.370 nan 0.000 0.411 376 N N -0.585 118.109 118.700 -0.010 0.000 2.277 376 N HA 0.512 5.536 4.740 0.473 0.000 0.286 376 N C 0.216 175.708 175.510 -0.030 0.000 1.140 376 N CA -0.720 52.325 53.050 -0.009 0.000 0.799 376 N CB 1.227 39.713 38.487 -0.000 0.000 1.596 376 N HN -0.018 nan 8.380 nan 0.000 0.473 377 K N 1.296 121.675 120.400 -0.034 0.000 2.550 377 K HA 0.332 4.935 4.320 0.473 0.000 0.205 377 K C 0.004 176.546 176.600 -0.097 0.000 1.429 377 K CA -0.213 56.034 56.287 -0.067 0.000 0.997 377 K CB 0.779 33.243 32.500 -0.060 0.000 1.328 377 K HN 0.436 nan 8.250 nan 0.000 0.546 378 I N 2.393 122.934 120.570 -0.048 0.000 2.474 378 I HA 0.198 4.652 4.170 0.473 0.000 0.287 378 I C -1.093 174.975 176.117 -0.082 0.000 1.048 378 I CA -0.571 60.697 61.300 -0.054 0.000 1.383 378 I CB 0.655 38.660 38.000 0.009 0.000 1.412 378 I HN 0.014 nan 8.210 nan 0.000 0.531 379 I N 7.830 128.288 120.570 -0.187 0.000 2.439 379 I HA 0.235 4.689 4.170 0.473 0.000 0.283 379 I C -0.453 175.630 176.117 -0.057 0.000 1.023 379 I CA -0.425 60.768 61.300 -0.178 0.000 1.100 379 I CB 1.602 39.333 38.000 -0.449 0.000 1.238 379 I HN 0.142 nan 8.210 nan 0.000 0.445 380 V N 5.032 124.954 119.914 0.013 0.000 2.546 380 V HA 0.618 5.022 4.120 0.473 0.000 0.284 380 V C 0.336 176.394 176.094 -0.060 0.000 1.050 380 V CA 0.070 62.342 62.300 -0.047 0.000 0.981 380 V CB 1.413 33.129 31.823 -0.178 0.000 0.990 380 V HN 0.828 nan 8.190 nan 0.000 0.474 381 T N 2.220 116.713 114.554 -0.102 0.000 2.739 381 T HA 0.498 5.131 4.350 0.473 0.000 0.303 381 T C -0.389 174.250 174.700 -0.102 0.000 1.389 381 T CA 0.057 62.134 62.100 -0.038 0.000 1.001 381 T CB 1.935 70.864 68.868 0.100 0.000 1.436 381 T HN 0.957 nan 8.240 nan 0.000 0.500 382 T N 0.506 115.036 114.554 -0.040 0.000 2.918 382 T HA 0.461 5.095 4.350 0.473 0.000 0.283 382 T C 1.445 176.166 174.700 0.035 0.000 1.001 382 T CA -0.527 61.555 62.100 -0.029 0.000 1.041 382 T CB 0.866 69.730 68.868 -0.006 0.000 1.028 382 T HN 0.484 nan 8.240 nan 0.000 0.511 383 I N 1.224 121.831 120.570 0.063 0.000 2.286 383 I HA -0.100 4.354 4.170 0.473 0.000 0.248 383 I C 2.488 178.660 176.117 0.091 0.000 1.115 383 I CA 1.565 62.939 61.300 0.124 0.000 1.392 383 I CB -0.442 37.661 38.000 0.172 0.000 1.065 383 I HN 0.755 nan 8.210 nan 0.000 0.418 384 Q N 0.561 120.404 119.800 0.072 0.000 2.030 384 Q HA -0.242 4.382 4.340 0.473 0.000 0.204 384 Q C 2.214 178.251 176.000 0.061 0.000 0.986 384 Q CA 2.168 58.009 55.803 0.064 0.000 0.843 384 Q CB -0.280 28.497 28.738 0.065 0.000 0.904 384 Q HN 0.461 nan 8.270 nan 0.000 0.420 385 K N 0.000 120.437 120.400 0.062 0.000 2.025 385 K HA -0.118 4.486 4.320 0.473 0.000 0.207 385 K C 2.105 178.758 176.600 0.089 0.000 1.049 385 K CA 1.140 57.469 56.287 0.069 0.000 0.933 385 K CB -0.389 32.150 32.500 0.065 0.000 0.714 385 K HN 0.118 nan 8.250 nan 0.000 0.438 386 L N 2.029 123.314 121.223 0.102 0.000 2.079 386 L HA -0.234 4.390 4.340 0.473 0.000 0.210 386 L C 1.963 178.885 176.870 0.086 0.000 1.081 386 L CA 1.736 56.643 54.840 0.111 0.000 0.752 386 L CB -0.462 41.659 42.059 0.103 0.000 0.896 386 L HN 0.148 nan 8.230 nan 0.000 0.433 387 N N -0.527 118.211 118.700 0.063 0.000 2.171 387 N HA -0.176 4.848 4.740 0.473 0.000 0.184 387 N C 1.598 177.133 175.510 0.042 0.000 1.021 387 N CA 1.409 54.478 53.050 0.032 0.000 0.854 387 N CB -0.182 38.312 38.487 0.011 0.000 0.994 387 N HN 0.363 nan 8.380 nan 0.000 0.426 388 N N 0.645 119.376 118.700 0.052 0.000 2.025 388 N HA -0.155 4.869 4.740 0.473 0.000 0.194 388 N C 1.705 177.253 175.510 0.064 0.000 1.044 388 N CA 0.919 54.000 53.050 0.051 0.000 0.851 388 N CB -0.832 37.685 38.487 0.051 0.000 1.036 388 N HN 0.283 nan 8.380 nan 0.000 0.422 389 L N 0.856 122.128 121.223 0.082 0.000 1.990 389 L HA -0.100 4.524 4.340 0.473 0.000 0.213 389 L C 2.175 179.121 176.870 0.126 0.000 1.072 389 L CA 1.628 56.527 54.840 0.099 0.000 0.755 389 L CB -0.406 41.726 42.059 0.122 0.000 0.889 389 L HN 0.168 nan 8.230 nan 0.000 0.432 390 M N -0.627 119.062 119.600 0.149 0.000 2.279 390 M HA -0.199 4.565 4.480 0.473 0.000 0.264 390 M C 2.478 178.842 176.300 0.107 0.000 1.062 390 M CA 2.084 57.496 55.300 0.186 0.000 1.099 390 M CB -0.485 32.200 32.600 0.142 0.000 1.394 390 M HN 0.422 nan 8.290 nan 0.000 0.426 391 K N 0.258 120.696 120.400 0.064 0.000 2.103 391 K HA 0.131 4.734 4.320 0.473 0.000 0.204 391 K C 1.908 178.535 176.600 0.046 0.000 1.052 391 K CA 1.539 57.848 56.287 0.037 0.000 0.945 391 K CB -1.039 31.474 32.500 0.020 0.000 0.722 391 K HN 0.505 nan 8.250 nan 0.000 0.443 392 A N -0.068 122.786 122.820 0.056 0.000 2.147 392 A HA 0.315 4.918 4.320 0.473 0.000 0.211 392 A C 0.620 178.236 177.584 0.053 0.000 1.160 392 A CA 0.496 52.561 52.037 0.047 0.000 0.781 392 A CB 0.329 19.353 19.000 0.040 0.000 0.842 392 A HN 0.448 nan 8.150 nan 0.000 0.475 393 E N -1.164 119.085 120.200 0.081 0.000 2.191 393 E HA 0.586 5.220 4.350 0.473 0.000 0.263 393 E C 0.182 176.868 176.600 0.143 0.000 0.881 393 E CA -0.185 56.258 56.400 0.072 0.000 0.757 393 E CB 1.746 31.466 29.700 0.033 0.000 1.147 393 E HN 0.037 nan 8.360 nan 0.000 0.414 394 S N 2.194 117.956 115.700 0.102 0.000 2.527 394 S HA 0.053 4.807 4.470 0.473 0.000 0.227 394 S C 0.170 174.876 174.600 0.177 0.000 1.059 394 S CA 0.080 58.375 58.200 0.158 0.000 0.919 394 S CB 0.322 63.570 63.200 0.081 0.000 0.805 394 S HN 0.431 nan 8.310 nan 0.000 0.500 395 D N 1.208 121.633 120.400 0.042 0.000 2.479 395 D HA 0.267 5.191 4.640 0.473 0.000 0.218 395 D C -0.245 175.982 176.300 -0.122 0.000 1.177 395 D CA -0.123 53.880 54.000 0.005 0.000 0.830 395 D CB 0.071 40.869 40.800 -0.002 0.000 1.014 395 D HN 0.284 nan 8.370 nan 0.000 0.503 396 L N 1.877 122.886 121.223 -0.357 0.000 2.747 396 L HA -0.085 4.539 4.340 0.473 0.000 0.286 396 L C -0.913 175.753 176.870 -0.341 0.000 1.216 396 L CA -0.476 54.074 54.840 -0.483 0.000 0.930 396 L CB 0.131 41.633 42.059 -0.928 0.000 1.216 396 L HN -0.173 nan 8.230 nan 0.000 0.486 397 P HA -0.204 nan 4.420 nan 0.000 0.216 397 P C 1.716 178.963 177.300 -0.088 0.000 1.154 397 P CA 0.919 63.964 63.100 -0.093 0.000 0.865 397 P CB 0.226 31.892 31.700 -0.057 0.000 0.789 398 V N -1.603 118.236 119.914 -0.126 0.000 2.720 398 V HA -0.247 4.157 4.120 0.473 0.000 0.256 398 V C 2.017 178.054 176.094 -0.095 0.000 1.082 398 V CA 1.475 63.755 62.300 -0.032 0.000 1.101 398 V CB -1.389 30.500 31.823 0.110 0.000 0.693 398 V HN 0.027 nan 8.190 nan 0.000 0.479 399 Y N 0.928 120.985 120.300 -0.406 0.000 2.228 399 Y HA -0.191 4.643 4.550 0.473 0.000 0.285 399 Y C 2.285 178.052 175.900 -0.222 0.000 1.178 399 Y CA 1.321 59.074 58.100 -0.578 0.000 1.202 399 Y CB -0.760 37.441 38.460 -0.432 0.000 0.974 399 Y HN 0.471 nan 8.280 nan 0.000 0.527 400 N N -0.075 118.647 118.700 0.037 0.000 2.280 400 N HA 0.003 5.026 4.740 0.473 0.000 0.192 400 N C 0.230 175.757 175.510 0.029 0.000 1.109 400 N CA 0.166 53.233 53.050 0.028 0.000 0.855 400 N CB 0.201 38.701 38.487 0.020 0.000 0.974 400 N HN 0.463 nan 8.380 nan 0.000 0.482 401 Q N 0.472 120.315 119.800 0.071 0.000 2.256 401 Q HA 0.213 4.837 4.340 0.473 0.000 0.232 401 Q C -0.244 175.834 176.000 0.130 0.000 0.965 401 Q CA -0.475 55.384 55.803 0.093 0.000 0.908 401 Q CB 0.915 29.719 28.738 0.111 0.000 1.209 401 Q HN -0.060 nan 8.270 nan 0.000 0.489 402 Q N 1.164 121.051 119.800 0.145 0.000 2.348 402 Q HA 0.222 4.846 4.340 0.473 0.000 0.251 402 Q C -1.520 174.674 176.000 0.323 0.000 1.113 402 Q CA 0.003 55.943 55.803 0.228 0.000 0.902 402 Q CB 0.370 29.308 28.738 0.333 0.000 1.333 402 Q HN 0.293 nan 8.270 nan 0.000 0.457 403 V N 4.061 124.191 119.914 0.359 0.000 2.628 403 V HA 0.554 4.958 4.120 0.473 0.000 0.306 403 V C -0.496 175.839 176.094 0.402 0.000 1.045 403 V CA -0.882 61.614 62.300 0.327 0.000 0.905 403 V CB 2.153 34.179 31.823 0.338 0.000 0.997 403 V HN 0.426 nan 8.190 nan 0.000 0.436 404 V N 4.027 124.112 119.914 0.285 0.000 2.555 404 V HA 0.557 4.961 4.120 0.473 0.000 0.302 404 V C -0.897 175.284 176.094 0.146 0.000 1.038 404 V CA -0.479 62.066 62.300 0.409 0.000 0.887 404 V CB 1.661 33.730 31.823 0.410 0.000 0.991 404 V HN 0.668 nan 8.190 nan 0.000 0.434 405 F N 4.663 124.848 119.950 0.392 0.000 2.495 405 F HA 0.653 5.463 4.527 0.472 0.000 0.327 405 F C -0.022 175.937 175.800 0.265 0.000 1.103 405 F CA -0.695 57.391 58.000 0.144 0.000 0.949 405 F CB 1.769 40.733 39.000 -0.061 0.000 1.142 405 F HN 0.155 nan 8.300 nan 0.000 0.457 406 I N 4.225 124.967 120.570 0.287 0.000 2.439 406 I HA 0.294 4.747 4.170 0.473 0.000 0.285 406 I C -1.122 175.101 176.117 0.176 0.000 1.021 406 I CA -0.608 60.940 61.300 0.413 0.000 1.091 406 I CB 1.437 39.730 38.000 0.489 0.000 1.242 406 I HN 0.399 nan 8.210 nan 0.000 0.439 407 F N 3.778 123.948 119.950 0.367 0.000 2.427 407 F HA 0.292 5.102 4.527 0.472 0.000 0.346 407 F C 0.484 176.355 175.800 0.118 0.000 1.120 407 F CA -0.583 57.520 58.000 0.172 0.000 1.033 407 F CB 1.386 40.500 39.000 0.189 0.000 1.126 407 F HN 0.376 nan 8.300 nan 0.000 0.462 408 D N 3.377 123.849 120.400 0.119 0.000 2.454 408 D HA 0.157 5.081 4.640 0.473 0.000 0.225 408 D C -0.232 176.114 176.300 0.076 0.000 1.081 408 D CA -0.324 53.739 54.000 0.105 0.000 0.864 408 D CB 0.514 41.333 40.800 0.033 0.000 1.040 408 D HN 0.538 nan 8.370 nan 0.000 0.517 409 E N 2.001 122.258 120.200 0.095 0.000 2.222 409 E HA -0.213 4.421 4.350 0.473 0.000 0.189 409 E C -1.087 175.509 176.600 -0.006 0.000 1.415 409 E CA 0.255 56.677 56.400 0.038 0.000 0.689 409 E CB -1.457 28.294 29.700 0.084 0.000 1.107 409 E HN 0.450 nan 8.360 nan 0.000 0.350 410 C N 1.201 120.452 119.300 -0.081 0.000 2.539 410 C HA 0.644 5.388 4.460 0.473 0.000 0.392 410 C C 1.251 176.190 174.990 -0.084 0.000 1.269 410 C CA 0.101 59.078 59.018 -0.068 0.000 2.250 410 C CB -0.202 27.514 27.740 -0.039 0.000 2.584 410 C HN 0.720 nan 8.230 nan 0.000 0.589 411 H N 0.673 119.743 119.070 -0.001 0.000 2.582 411 H HA 0.550 5.390 4.556 0.473 0.000 0.345 411 H C 1.283 176.626 175.328 0.024 0.000 1.104 411 H CA 0.274 56.330 56.048 0.013 0.000 1.390 411 H CB 0.305 30.101 29.762 0.057 0.000 1.461 411 H HN 0.974 nan 8.280 nan 0.000 0.551 412 R N 1.348 121.846 120.500 -0.004 0.000 2.154 412 R HA -0.111 4.512 4.340 0.473 0.000 0.248 412 R C 2.835 179.169 176.300 0.056 0.000 1.155 412 R CA 2.800 58.915 56.100 0.025 0.000 0.979 412 R CB -1.617 28.660 30.300 -0.038 0.000 0.869 412 R HN 1.204 nan 8.270 nan 0.000 0.452 413 S N -0.483 115.240 115.700 0.038 0.000 2.406 413 S HA 0.004 4.758 4.470 0.473 0.000 0.224 413 S C 2.196 176.802 174.600 0.011 0.000 1.030 413 S CA 1.226 59.435 58.200 0.015 0.000 0.958 413 S CB 0.081 63.291 63.200 0.016 0.000 0.811 413 S HN 0.507 nan 8.310 nan 0.000 0.489 414 Q N -0.341 119.482 119.800 0.040 0.000 2.187 414 Q HA 0.155 4.779 4.340 0.473 0.000 0.199 414 Q C 1.535 177.562 176.000 0.044 0.000 0.957 414 Q CA 0.865 56.692 55.803 0.040 0.000 0.857 414 Q CB -0.431 28.346 28.738 0.064 0.000 0.929 414 Q HN 0.682 nan 8.270 nan 0.000 0.453 415 F N -0.323 119.565 119.950 -0.103 0.000 2.146 415 F HA 0.023 4.835 4.527 0.475 0.000 0.298 415 F C 1.820 177.489 175.800 -0.219 0.000 1.096 415 F CA 1.759 59.651 58.000 -0.180 0.000 1.275 415 F CB -0.696 38.183 39.000 -0.202 0.000 1.008 415 F HN 0.109 nan 8.300 nan 0.000 0.480 416 G N -0.313 108.313 108.800 -0.291 0.000 2.440 416 G HA2 -0.277 3.967 3.960 0.473 0.000 0.218 416 G HA3 -0.277 3.967 3.960 0.473 0.000 0.218 416 G C 1.612 176.288 174.900 -0.373 0.000 1.154 416 G CA 0.915 45.777 45.100 -0.395 0.000 0.767 416 G HN 0.446 nan 8.290 nan 0.000 0.552 417 E N 0.226 120.281 120.200 -0.241 0.000 2.031 417 E HA -0.042 4.591 4.350 0.473 0.000 0.193 417 E C 2.983 179.445 176.600 -0.230 0.000 0.994 417 E CA 0.792 57.079 56.400 -0.189 0.000 0.800 417 E CB -0.220 29.415 29.700 -0.108 0.000 0.752 417 E HN 0.352 nan 8.360 nan 0.000 0.447 418 A N 1.220 123.897 122.820 -0.239 0.000 1.903 418 A HA -0.305 4.299 4.320 0.473 0.000 0.219 418 A C 2.108 179.443 177.584 -0.415 0.000 1.191 418 A CA 1.686 53.569 52.037 -0.256 0.000 0.638 418 A CB -0.588 18.299 19.000 -0.189 0.000 0.823 418 A HN 0.216 nan 8.150 nan 0.000 0.451 419 Q N -0.821 118.603 119.800 -0.627 0.000 2.020 419 Q HA -0.229 4.394 4.340 0.473 0.000 0.202 419 Q C 2.584 178.329 176.000 -0.426 0.000 0.982 419 Q CA 2.506 57.912 55.803 -0.661 0.000 0.838 419 Q CB -0.870 27.347 28.738 -0.869 0.000 0.899 419 Q HN 0.787 nan 8.270 nan 0.000 0.423 420 K N 2.127 122.325 120.400 -0.337 0.000 2.049 420 K HA -0.250 4.354 4.320 0.473 0.000 0.219 420 K C 1.573 178.048 176.600 -0.209 0.000 1.056 420 K CA 2.061 58.208 56.287 -0.233 0.000 0.946 420 K CB -1.333 31.058 32.500 -0.182 0.000 0.723 420 K HN 0.372 nan 8.250 nan 0.000 0.453 421 N N 0.379 118.959 118.700 -0.200 0.000 2.171 421 N HA -0.082 4.941 4.740 0.473 0.000 0.184 421 N C 1.849 177.237 175.510 -0.203 0.000 1.021 421 N CA 1.323 54.274 53.050 -0.166 0.000 0.854 421 N CB -0.338 38.085 38.487 -0.107 0.000 0.994 421 N HN 0.310 nan 8.380 nan 0.000 0.426 422 L N 2.401 123.460 121.223 -0.273 0.000 1.990 422 L HA -0.178 4.446 4.340 0.473 0.000 0.213 422 L C 1.845 178.487 176.870 -0.379 0.000 1.072 422 L CA 1.834 56.439 54.840 -0.392 0.000 0.755 422 L CB -0.947 40.687 42.059 -0.709 0.000 0.889 422 L HN 0.026 nan 8.230 nan 0.000 0.432 423 K N -0.676 119.533 120.400 -0.317 0.000 2.026 423 K HA -0.184 4.420 4.320 0.473 0.000 0.208 423 K C 2.263 178.825 176.600 -0.063 0.000 1.048 423 K CA 1.606 57.812 56.287 -0.135 0.000 0.929 423 K CB -0.269 32.170 32.500 -0.101 0.000 0.713 423 K HN 0.202 nan 8.250 nan 0.000 0.439 424 K N 1.461 121.789 120.400 -0.120 0.000 2.147 424 K HA -0.118 4.486 4.320 0.473 0.000 0.205 424 K C 1.654 178.161 176.600 -0.155 0.000 1.049 424 K CA 1.507 57.727 56.287 -0.112 0.000 0.936 424 K CB 0.023 32.449 32.500 -0.124 0.000 0.722 424 K HN 0.256 nan 8.250 nan 0.000 0.446 425 K N -2.320 117.932 120.400 -0.248 0.000 2.403 425 K HA 0.241 4.845 4.320 0.473 0.000 0.199 425 K C -0.065 176.202 176.600 -0.555 0.000 1.199 425 K CA -0.172 55.783 56.287 -0.553 0.000 0.924 425 K CB 0.433 32.321 32.500 -1.021 0.000 1.137 425 K HN 0.128 nan 8.250 nan 0.000 0.510 426 F N 2.597 122.349 119.950 -0.330 0.000 2.445 426 F HA 0.123 4.935 4.527 0.474 0.000 0.359 426 F C 1.327 177.205 175.800 0.129 0.000 1.101 426 F CA -0.104 57.890 58.000 -0.011 0.000 1.177 426 F CB 1.029 40.078 39.000 0.082 0.000 1.110 426 F HN -0.250 nan 8.300 nan 0.000 0.522 427 K N 2.969 123.490 120.400 0.201 0.000 2.262 427 K HA 0.113 4.717 4.320 0.473 0.000 0.200 427 K C 0.243 176.880 176.600 0.062 0.000 1.049 427 K CA 0.649 57.018 56.287 0.138 0.000 0.979 427 K CB 0.175 32.703 32.500 0.046 0.000 0.773 427 K HN 0.532 nan 8.250 nan 0.000 0.474 428 R N 0.764 121.274 120.500 0.017 0.000 2.472 428 R HA 0.233 4.857 4.340 0.473 0.000 0.294 428 R C -1.206 175.033 176.300 -0.103 0.000 1.243 428 R CA -0.562 55.326 56.100 -0.354 0.000 1.023 428 R CB 0.955 30.745 30.300 -0.850 0.000 1.157 428 R HN 0.020 nan 8.270 nan 0.000 0.530 429 Y N -0.448 119.726 120.300 -0.211 0.000 2.581 429 Y HA 0.657 5.491 4.550 0.473 0.000 0.345 429 Y C -1.543 174.111 175.900 -0.409 0.000 1.036 429 Y CA -1.742 56.267 58.100 -0.152 0.000 1.042 429 Y CB 1.279 39.889 38.460 0.249 0.000 1.289 429 Y HN 0.248 nan 8.280 nan 0.000 0.471 430 Y N 1.592 122.217 120.300 0.541 0.000 2.327 430 Y HA 0.420 5.254 4.550 0.473 0.000 0.325 430 Y C -0.857 175.337 175.900 0.491 0.000 0.999 430 Y CA -1.079 57.258 58.100 0.395 0.000 1.195 430 Y CB 1.800 40.566 38.460 0.511 0.000 1.132 430 Y HN 0.680 nan 8.280 nan 0.000 0.455 431 Q N 2.016 122.052 119.800 0.393 0.000 2.342 431 Q HA 0.839 5.463 4.340 0.473 0.000 0.267 431 Q C -1.920 174.255 176.000 0.290 0.000 1.038 431 Q CA -0.789 55.376 55.803 0.603 0.000 0.832 431 Q CB 2.268 31.446 28.738 0.732 0.000 1.323 431 Q HN 0.507 nan 8.270 nan 0.000 0.448 432 F N 0.227 120.628 119.950 0.753 0.000 2.565 432 F HA 0.765 5.576 4.527 0.473 0.000 0.313 432 F C 0.224 176.033 175.800 0.015 0.000 1.091 432 F CA -0.799 57.398 58.000 0.329 0.000 0.915 432 F CB 2.760 41.931 39.000 0.285 0.000 1.208 432 F HN 0.773 nan 8.300 nan 0.000 0.453 433 G N 1.507 109.881 108.800 -0.710 0.000 2.566 433 G HA2 0.646 4.890 3.960 0.473 0.000 0.311 433 G HA3 0.646 4.890 3.960 0.473 0.000 0.311 433 G C -2.028 172.759 174.900 -0.187 0.000 1.322 433 G CA -0.499 44.239 45.100 -0.603 0.000 0.969 433 G HN 0.331 nan 8.290 nan 0.000 0.490 434 F N 0.859 120.784 119.950 -0.043 0.000 2.420 434 F HA 0.699 5.508 4.527 0.471 0.000 0.342 434 F C 0.774 176.591 175.800 0.028 0.000 1.113 434 F CA -0.286 57.741 58.000 0.044 0.000 1.059 434 F CB 2.758 41.827 39.000 0.115 0.000 1.128 434 F HN 0.415 nan 8.300 nan 0.000 0.475 435 T N 1.119 115.804 114.554 0.219 0.000 2.896 435 T HA 0.540 5.174 4.350 0.473 0.000 0.297 435 T C 0.610 175.453 174.700 0.238 0.000 1.108 435 T CA -0.199 61.973 62.100 0.120 0.000 1.004 435 T CB 1.556 70.363 68.868 -0.102 0.000 1.159 435 T HN 0.670 nan 8.240 nan 0.000 0.499 436 G N 0.607 109.494 108.800 0.146 0.000 2.921 436 G HA2 0.261 4.505 3.960 0.473 0.000 0.213 436 G HA3 0.261 4.505 3.960 0.473 0.000 0.213 436 G C 0.319 175.198 174.900 -0.035 0.000 1.143 436 G CA 0.464 45.697 45.100 0.222 0.000 0.764 436 G HN 0.926 nan 8.290 nan 0.000 0.542 437 T N -0.211 114.136 114.554 -0.344 0.000 3.198 437 T HA 0.543 5.176 4.350 0.473 0.000 0.352 437 T C -3.166 171.224 174.700 -0.517 0.000 1.197 437 T CA -1.801 59.811 62.100 -0.813 0.000 1.427 437 T CB 2.564 70.762 68.868 -1.117 0.000 0.983 437 T HN -0.134 nan 8.240 nan 0.000 0.560 438 P HA 0.376 nan 4.420 nan 0.000 0.271 438 P C -0.279 176.559 177.300 -0.769 0.000 1.233 438 P CA -0.603 61.992 63.100 -0.842 0.000 0.789 438 P CB 0.686 31.580 31.700 -1.344 0.000 0.951 439 I N 1.277 121.376 120.570 -0.784 0.000 2.312 439 I HA 0.321 4.775 4.170 0.473 0.000 0.290 439 I C -0.057 175.659 176.117 -0.668 0.000 1.008 439 I CA -0.344 60.627 61.300 -0.547 0.000 1.226 439 I CB 0.153 37.954 38.000 -0.332 0.000 1.371 439 I HN 0.183 nan 8.210 nan 0.000 0.468 440 F N 6.371 126.244 119.950 -0.128 0.000 2.557 440 F HA 0.442 5.252 4.527 0.472 0.000 0.336 440 F C -1.527 174.213 175.800 -0.100 0.000 1.058 440 F CA -2.000 55.935 58.000 -0.108 0.000 0.988 440 F CB 0.292 39.228 39.000 -0.106 0.000 1.275 440 F HN 0.247 nan 8.300 nan 0.000 0.488 441 P HA -0.148 nan 4.420 nan 0.000 0.219 441 P C 0.579 177.881 177.300 0.003 0.000 1.146 441 P CA 1.549 64.669 63.100 0.035 0.000 0.808 441 P CB 0.114 31.833 31.700 0.030 0.000 0.779 442 E N -0.536 119.672 120.200 0.013 0.000 2.208 442 E HA -0.121 4.513 4.350 0.473 0.000 0.193 442 E C 1.143 177.678 176.600 -0.108 0.000 0.988 442 E CA 1.130 57.500 56.400 -0.051 0.000 0.828 442 E CB -0.896 28.762 29.700 -0.071 0.000 0.763 442 E HN 0.601 nan 8.360 nan 0.000 0.478 443 N N -0.443 118.204 118.700 -0.088 0.000 2.203 443 N HA 0.315 5.339 4.740 0.473 0.000 0.207 443 N C 1.451 176.895 175.510 -0.110 0.000 1.130 443 N CA 0.346 53.305 53.050 -0.153 0.000 0.861 443 N CB 0.478 38.879 38.487 -0.143 0.000 1.005 443 N HN 0.064 nan 8.380 nan 0.000 0.507 444 A N 2.058 124.829 122.820 -0.083 0.000 1.870 444 A HA -0.106 4.498 4.320 0.473 0.000 0.219 444 A C 2.100 179.639 177.584 -0.074 0.000 1.224 444 A CA 2.675 54.665 52.037 -0.078 0.000 0.650 444 A CB -1.511 17.453 19.000 -0.060 0.000 0.836 444 A HN 1.209 nan 8.150 nan 0.000 0.454 445 L N -3.017 118.167 121.223 -0.066 0.000 3.739 445 L HA 0.174 4.797 4.340 0.473 0.000 0.442 445 L C 1.784 178.630 176.870 -0.040 0.000 1.241 445 L CA 1.619 56.430 54.840 -0.049 0.000 0.819 445 L CB -2.477 39.558 42.059 -0.040 0.000 1.679 445 L HN 2.607 nan 8.230 nan 0.000 0.889 446 G N -3.135 105.639 108.800 -0.045 0.000 2.194 446 G HA2 0.148 4.392 3.960 0.473 0.000 0.236 446 G HA3 0.148 4.392 3.960 0.473 0.000 0.236 446 G C 0.402 175.269 174.900 -0.055 0.000 0.987 446 G CA 0.682 45.756 45.100 -0.044 0.000 0.635 446 G HN 2.297 nan 8.290 nan 0.000 0.520 447 S N 0.228 115.891 115.700 -0.062 0.000 2.681 447 S HA 0.595 5.349 4.470 0.473 0.000 0.299 447 S C -0.009 174.543 174.600 -0.081 0.000 1.113 447 S CA -0.728 57.429 58.200 -0.072 0.000 1.013 447 S CB 1.871 65.028 63.200 -0.072 0.000 1.076 447 S HN 0.390 nan 8.310 nan 0.000 0.534 448 E N 1.916 122.062 120.200 -0.090 0.000 2.366 448 E HA 0.183 4.817 4.350 0.473 0.000 0.266 448 E C 0.219 176.757 176.600 -0.104 0.000 1.051 448 E CA -0.226 56.115 56.400 -0.097 0.000 0.884 448 E CB 0.655 30.282 29.700 -0.120 0.000 1.006 448 E HN 0.679 nan 8.360 nan 0.000 0.417 449 T N 0.009 114.495 114.554 -0.112 0.000 2.903 449 T HA -0.010 4.624 4.350 0.473 0.000 0.314 449 T C 1.235 175.816 174.700 -0.197 0.000 1.078 449 T CA -0.322 61.680 62.100 -0.162 0.000 1.114 449 T CB 0.945 69.743 68.868 -0.117 0.000 0.987 449 T HN 0.396 nan 8.240 nan 0.000 0.548 450 T N 2.339 116.693 114.554 -0.334 0.000 2.699 450 T HA -0.118 4.516 4.350 0.473 0.000 0.268 450 T C 2.396 176.886 174.700 -0.350 0.000 1.036 450 T CA 1.413 63.282 62.100 -0.385 0.000 1.147 450 T CB -0.811 67.610 68.868 -0.745 0.000 0.862 450 T HN 0.853 nan 8.240 nan 0.000 0.446 451 A N 1.536 124.148 122.820 -0.347 0.000 1.930 451 A HA 0.107 4.711 4.320 0.473 0.000 0.217 451 A C 2.790 180.391 177.584 0.028 0.000 1.175 451 A CA 2.123 54.136 52.037 -0.040 0.000 0.627 451 A CB -1.332 17.733 19.000 0.108 0.000 0.815 451 A HN 0.595 nan 8.150 nan 0.000 0.443 452 S N -0.556 115.122 115.700 -0.036 0.000 2.399 452 S HA 0.028 4.782 4.470 0.473 0.000 0.231 452 S C 1.956 176.511 174.600 -0.075 0.000 1.022 452 S CA 1.760 59.937 58.200 -0.038 0.000 0.983 452 S CB -0.493 62.671 63.200 -0.060 0.000 0.803 452 S HN 0.254 nan 8.310 nan 0.000 0.480 453 V N -0.656 119.182 119.914 -0.126 0.000 2.379 453 V HA 0.064 4.468 4.120 0.473 0.000 0.243 453 V C 1.643 177.545 176.094 -0.321 0.000 1.035 453 V CA 1.179 63.305 62.300 -0.290 0.000 1.035 453 V CB -0.495 31.085 31.823 -0.405 0.000 0.673 453 V HN 0.651 nan 8.190 nan 0.000 0.457 454 F N -0.585 119.388 119.950 0.039 0.000 2.731 454 F HA 0.506 5.318 4.527 0.475 0.000 0.298 454 F C 1.673 177.566 175.800 0.156 0.000 1.106 454 F CA 0.749 58.815 58.000 0.110 0.000 1.329 454 F CB 0.466 39.572 39.000 0.175 0.000 1.100 454 F HN 0.290 nan 8.300 nan 0.000 0.592 455 G N 0.825 109.808 108.800 0.305 0.000 2.552 455 G HA2 -0.255 3.988 3.960 0.473 0.000 0.267 455 G HA3 -0.255 3.988 3.960 0.473 0.000 0.267 455 G C 0.092 175.215 174.900 0.372 0.000 1.174 455 G CA -0.599 44.660 45.100 0.264 0.000 0.955 455 G HN 0.114 nan 8.290 nan 0.000 0.546 456 R N 1.972 122.636 120.500 0.272 0.000 2.490 456 R HA 0.304 4.928 4.340 0.473 0.000 0.280 456 R C 0.368 176.646 176.300 -0.036 0.000 1.077 456 R CA -0.232 55.972 56.100 0.173 0.000 1.065 456 R CB 0.821 31.209 30.300 0.147 0.000 1.003 456 R HN 0.627 nan 8.270 nan 0.000 0.470 457 E N 3.718 123.745 120.200 -0.288 0.000 2.166 457 E HA -0.015 4.619 4.350 0.473 0.000 0.279 457 E C 0.511 176.958 176.600 -0.255 0.000 1.095 457 E CA -0.073 55.892 56.400 -0.725 0.000 0.888 457 E CB 0.529 29.894 29.700 -0.558 0.000 1.041 457 E HN 0.516 nan 8.360 nan 0.000 0.414 458 L N 4.104 125.217 121.223 -0.183 0.000 2.416 458 L HA 0.165 4.789 4.340 0.473 0.000 0.216 458 L C 1.099 177.992 176.870 0.037 0.000 1.098 458 L CA 0.255 55.093 54.840 -0.004 0.000 0.840 458 L CB 0.051 42.161 42.059 0.086 0.000 0.981 458 L HN 0.588 nan 8.230 nan 0.000 0.462 459 H N -0.557 118.435 119.070 -0.129 0.000 3.068 459 H HA 0.314 5.153 4.556 0.470 0.000 0.342 459 H C -1.531 173.798 175.328 0.002 0.000 1.284 459 H CA -0.335 55.675 56.048 -0.062 0.000 1.181 459 H CB 2.237 31.971 29.762 -0.048 0.000 1.898 459 H HN -0.026 nan 8.280 nan 0.000 0.540 460 S N 2.424 117.808 115.700 -0.526 0.000 2.599 460 S HA 0.548 5.302 4.470 0.473 0.000 0.287 460 S C -1.525 172.853 174.600 -0.370 0.000 1.105 460 S CA -0.790 57.232 58.200 -0.297 0.000 0.899 460 S CB 2.671 65.670 63.200 -0.334 0.000 1.100 460 S HN 0.585 nan 8.310 nan 0.000 0.482 461 Y N 1.891 121.941 120.300 -0.416 0.000 2.347 461 Y HA 0.419 5.247 4.550 0.463 0.000 0.339 461 Y C -0.564 175.005 175.900 -0.552 0.000 1.152 461 Y CA -0.872 56.920 58.100 -0.513 0.000 1.321 461 Y CB 0.418 38.443 38.460 -0.725 0.000 1.137 461 Y HN 0.930 nan 8.280 nan 0.000 0.486 462 V N 2.951 122.380 119.914 -0.810 0.000 0.000 462 V HA 0.325 4.729 4.120 0.473 0.000 0.000 462 V C 1.385 177.133 176.094 -0.576 0.000 0.000 462 V CA 0.234 62.086 62.300 -0.746 0.000 0.000 462 V CB 1.167 32.557 31.823 -0.720 0.000 0.000 462 V HN 0.864 nan 8.190 nan 0.000 0.000 463 I N 0.505 120.881 120.570 -0.323 0.000 2.252 463 I HA -0.150 4.304 4.170 0.473 0.000 0.245 463 I C 2.621 178.575 176.117 -0.272 0.000 1.102 463 I CA 2.264 63.425 61.300 -0.232 0.000 1.385 463 I CB -0.016 37.939 38.000 -0.074 0.000 1.064 463 I HN 1.109 nan 8.210 nan 0.000 0.414 464 T N -1.281 113.124 114.554 -0.247 0.000 2.821 464 T HA -0.202 4.431 4.350 0.473 0.000 0.267 464 T C 1.650 176.190 174.700 -0.267 0.000 1.046 464 T CA 1.710 63.686 62.100 -0.207 0.000 1.139 464 T CB -0.513 68.265 68.868 -0.150 0.000 0.871 464 T HN 0.367 nan 8.240 nan 0.000 0.454 465 D N 1.772 121.929 120.400 -0.405 0.000 2.084 465 D HA -0.042 4.882 4.640 0.473 0.000 0.194 465 D C 2.589 178.586 176.300 -0.506 0.000 0.990 465 D CA 1.581 55.293 54.000 -0.481 0.000 0.826 465 D CB -0.707 39.640 40.800 -0.754 0.000 0.971 465 D HN 0.609 nan 8.370 nan 0.000 0.453 466 A N 1.083 123.459 122.820 -0.741 0.000 1.908 466 A HA -0.182 4.422 4.320 0.473 0.000 0.218 466 A C 2.417 179.903 177.584 -0.163 0.000 1.181 466 A CA 1.143 52.949 52.037 -0.386 0.000 0.627 466 A CB -0.822 17.979 19.000 -0.331 0.000 0.818 466 A HN 0.191 nan 8.150 nan 0.000 0.445 467 I N -1.223 119.236 120.570 -0.185 0.000 2.202 467 I HA -0.236 4.217 4.170 0.473 0.000 0.242 467 I C 2.674 178.740 176.117 -0.085 0.000 1.091 467 I CA 1.551 62.779 61.300 -0.121 0.000 1.368 467 I CB -0.320 37.606 38.000 -0.123 0.000 1.058 467 I HN 0.359 nan 8.210 nan 0.000 0.410 468 R N 0.861 121.301 120.500 -0.099 0.000 2.139 468 R HA -0.220 4.404 4.340 0.473 0.000 0.243 468 R C 1.153 177.434 176.300 -0.032 0.000 1.145 468 R CA 1.848 57.912 56.100 -0.060 0.000 0.976 468 R CB -0.144 30.112 30.300 -0.073 0.000 0.866 468 R HN 0.339 nan 8.270 nan 0.000 0.449 469 D N 0.185 120.570 120.400 -0.025 0.000 2.340 469 D HA -0.024 4.900 4.640 0.473 0.000 0.220 469 D C -0.108 176.177 176.300 -0.026 0.000 1.039 469 D CA 0.391 54.396 54.000 0.009 0.000 0.866 469 D CB 0.242 41.099 40.800 0.096 0.000 0.913 469 D HN 0.278 nan 8.370 nan 0.000 0.523 470 E N -0.328 119.847 120.200 -0.040 0.000 2.883 470 E HA -0.229 4.405 4.350 0.473 0.000 0.271 470 E C 0.702 177.238 176.600 -0.106 0.000 1.049 470 E CA 0.363 56.723 56.400 -0.065 0.000 0.817 470 E CB -0.578 29.089 29.700 -0.057 0.000 1.407 470 E HN 0.123 nan 8.360 nan 0.000 0.434 471 K N 0.061 120.420 120.400 -0.069 0.000 2.393 471 K HA 0.212 4.816 4.320 0.473 0.000 0.193 471 K C 0.417 176.980 176.600 -0.061 0.000 1.026 471 K CA 0.281 56.524 56.287 -0.074 0.000 1.064 471 K CB 1.013 33.550 32.500 0.062 0.000 0.833 471 K HN 0.082 nan 8.250 nan 0.000 0.521 472 V N 0.906 120.781 119.914 -0.065 0.000 3.049 472 V HA 0.373 4.777 4.120 0.473 0.000 0.309 472 V C -0.984 175.056 176.094 -0.089 0.000 1.148 472 V CA -1.060 61.200 62.300 -0.066 0.000 0.990 472 V CB 2.567 34.355 31.823 -0.058 0.000 1.039 472 V HN -0.070 nan 8.190 nan 0.000 0.430 473 L N 2.656 123.827 121.223 -0.086 0.000 2.387 473 L HA 0.579 5.202 4.340 0.473 0.000 0.266 473 L C 0.362 177.133 176.870 -0.165 0.000 1.059 473 L CA -0.585 54.209 54.840 -0.077 0.000 0.801 473 L CB 0.805 42.849 42.059 -0.024 0.000 1.223 473 L HN 0.496 nan 8.230 nan 0.000 0.456 474 K N 0.297 120.654 120.400 -0.071 0.000 2.155 474 K HA 0.501 5.104 4.320 0.473 0.000 0.237 474 K C -1.135 175.464 176.600 -0.000 0.000 1.040 474 K CA -0.244 55.968 56.287 -0.124 0.000 0.912 474 K CB 0.576 33.081 32.500 0.009 0.000 1.137 474 K HN 0.283 nan 8.250 nan 0.000 0.498 475 F N 0.648 120.599 119.950 0.001 0.000 2.529 475 F HA 0.273 5.088 4.527 0.479 0.000 0.320 475 F C 0.031 175.723 175.800 -0.180 0.000 1.118 475 F CA -1.099 56.873 58.000 -0.046 0.000 0.915 475 F CB 2.069 41.081 39.000 0.020 0.000 1.161 475 F HN 0.300 nan 8.300 nan 0.000 0.445 476 K N 3.940 124.277 120.400 -0.105 0.000 2.265 476 K HA 0.685 5.289 4.320 0.473 0.000 0.267 476 K C -1.937 174.515 176.600 -0.247 0.000 0.994 476 K CA -0.393 55.718 56.287 -0.293 0.000 0.860 476 K CB 1.701 33.817 32.500 -0.640 0.000 1.099 476 K HN 0.497 nan 8.250 nan 0.000 0.448 477 V N 4.051 123.854 119.914 -0.186 0.000 2.540 477 V HA 0.461 4.864 4.120 0.473 0.000 0.302 477 V C -0.938 175.070 176.094 -0.144 0.000 1.035 477 V CA -0.720 61.459 62.300 -0.202 0.000 0.873 477 V CB 1.859 33.643 31.823 -0.065 0.000 0.992 477 V HN 0.928 nan 8.190 nan 0.000 0.428 478 D N 2.204 122.508 120.400 -0.160 0.000 2.886 478 D HA 0.191 5.115 4.640 0.473 0.000 0.216 478 D C -1.552 174.703 176.300 -0.074 0.000 1.256 478 D CA -0.373 53.568 54.000 -0.099 0.000 0.844 478 D CB 2.831 43.550 40.800 -0.136 0.000 1.669 478 D HN 0.623 nan 8.370 nan 0.000 0.513 479 Y N 1.947 122.154 120.300 -0.154 0.000 2.336 479 Y HA 0.118 4.951 4.550 0.472 0.000 0.335 479 Y C 0.735 176.521 175.900 -0.189 0.000 1.046 479 Y CA -0.400 57.603 58.100 -0.161 0.000 1.198 479 Y CB 0.704 39.114 38.460 -0.083 0.000 1.182 479 Y HN 0.304 nan 8.280 nan 0.000 0.502 480 N N 5.683 124.064 118.700 -0.532 0.000 2.971 480 N HA -0.086 4.938 4.740 0.473 0.000 0.294 480 N C -1.120 173.976 175.510 -0.689 0.000 1.210 480 N CA -0.212 52.478 53.050 -0.599 0.000 1.157 480 N CB -0.143 37.945 38.487 -0.665 0.000 1.450 480 N HN 0.664 nan 8.380 nan 0.000 0.527 481 D N 2.516 122.479 120.400 -0.728 0.000 2.453 481 D HA 0.131 5.054 4.640 0.473 0.000 0.223 481 D C 0.328 176.450 176.300 -0.298 0.000 1.183 481 D CA -0.124 53.450 54.000 -0.710 0.000 0.933 481 D CB 0.710 41.197 40.800 -0.522 0.000 1.038 481 D HN 0.141 nan 8.370 nan 0.000 0.513 482 V N 3.884 123.672 119.914 -0.210 0.000 3.443 482 V HA 0.144 4.547 4.120 0.473 0.000 0.277 482 V C 0.500 176.585 176.094 -0.015 0.000 1.648 482 V CA -0.117 62.125 62.300 -0.097 0.000 1.058 482 V CB 0.257 32.013 31.823 -0.111 0.000 0.877 482 V HN 0.353 nan 8.190 nan 0.000 0.417 483 R N 1.032 121.544 120.500 0.020 0.000 3.050 483 R HA 0.303 4.927 4.340 0.473 0.000 0.275 483 R C -1.912 174.464 176.300 0.125 0.000 1.373 483 R CA -1.510 54.675 56.100 0.141 0.000 1.612 483 R CB 0.838 31.298 30.300 0.267 0.000 1.218 483 R HN 0.217 nan 8.270 nan 0.000 0.621 484 P HA -0.281 nan 4.420 nan 0.000 0.217 484 P C 1.632 178.893 177.300 -0.066 0.000 1.151 484 P CA 1.572 64.672 63.100 0.001 0.000 0.849 484 P CB 0.394 32.083 31.700 -0.020 0.000 0.787 485 Q N -1.546 118.133 119.800 -0.201 0.000 2.311 485 Q HA -0.061 4.563 4.340 0.473 0.000 0.203 485 Q C 1.594 177.267 176.000 -0.546 0.000 0.954 485 Q CA 1.189 56.717 55.803 -0.459 0.000 0.885 485 Q CB -1.585 26.728 28.738 -0.708 0.000 0.963 485 Q HN 0.357 nan 8.270 nan 0.000 0.471 486 F N -0.541 119.426 119.950 0.028 0.000 2.678 486 F HA 0.284 5.095 4.527 0.473 0.000 0.305 486 F C 1.996 177.840 175.800 0.074 0.000 1.090 486 F CA -0.167 57.858 58.000 0.042 0.000 1.272 486 F CB 0.665 39.688 39.000 0.039 0.000 1.060 486 F HN 0.096 nan 8.300 nan 0.000 0.576 487 K N 1.088 121.598 120.400 0.183 0.000 1.991 487 K HA -0.201 4.403 4.320 0.473 0.000 0.212 487 K C 2.314 179.014 176.600 0.166 0.000 1.049 487 K CA 2.096 58.504 56.287 0.202 0.000 0.932 487 K CB -0.260 32.329 32.500 0.148 0.000 0.717 487 K HN 0.342 nan 8.250 nan 0.000 0.441 488 S N 0.523 116.283 115.700 0.099 0.000 2.423 488 S HA -0.113 4.641 4.470 0.473 0.000 0.231 488 S C 2.588 177.230 174.600 0.071 0.000 1.014 488 S CA 1.196 59.435 58.200 0.066 0.000 0.965 488 S CB -1.122 62.100 63.200 0.037 0.000 0.785 488 S HN 0.292 nan 8.310 nan 0.000 0.495 489 L N 1.603 122.886 121.223 0.100 0.000 2.017 489 L HA 0.134 4.758 4.340 0.473 0.000 0.208 489 L C 2.433 179.366 176.870 0.106 0.000 1.073 489 L CA 2.419 57.324 54.840 0.108 0.000 0.745 489 L CB -2.018 40.134 42.059 0.155 0.000 0.894 489 L HN 0.542 nan 8.230 nan 0.000 0.432 490 E N 0.356 120.645 120.200 0.149 0.000 2.482 490 E HA 0.172 4.805 4.350 0.473 0.000 0.200 490 E C 0.989 177.602 176.600 0.022 0.000 1.147 490 E CA 0.555 57.038 56.400 0.138 0.000 0.912 490 E CB -0.640 29.230 29.700 0.282 0.000 0.938 490 E HN 0.863 nan 8.360 nan 0.000 0.519 491 T N -0.199 114.360 114.554 0.008 0.000 3.866 491 T HA 0.369 5.003 4.350 0.473 0.000 0.241 491 T C 0.279 174.964 174.700 -0.025 0.000 1.017 491 T CA 0.075 62.145 62.100 -0.049 0.000 1.300 491 T CB -0.167 68.669 68.868 -0.053 0.000 0.968 491 T HN 0.166 nan 8.240 nan 0.000 0.595 513 I N 2.640 122.929 120.570 -0.468 0.000 2.286 513 I HA -0.160 4.294 4.170 0.473 0.000 0.248 513 I C 2.602 178.522 176.117 -0.328 0.000 1.115 513 I CA 1.670 62.687 61.300 -0.472 0.000 1.392 513 I CB -0.283 37.369 38.000 -0.581 0.000 1.065 513 I HN 0.369 nan 8.210 nan 0.000 0.418 514 Q N 0.472 120.116 119.800 -0.260 0.000 1.975 514 Q HA -0.307 4.317 4.340 0.473 0.000 0.205 514 Q C 2.409 178.308 176.000 -0.168 0.000 0.990 514 Q CA 2.724 58.411 55.803 -0.194 0.000 0.845 514 Q CB -0.249 28.410 28.738 -0.132 0.000 0.913 514 Q HN 0.585 nan 8.270 nan 0.000 0.420 515 E N 0.822 120.943 120.200 -0.133 0.000 2.086 515 E HA -0.240 4.394 4.350 0.473 0.000 0.200 515 E C 1.679 178.223 176.600 -0.094 0.000 1.012 515 E CA 1.802 58.154 56.400 -0.079 0.000 0.812 515 E CB -1.047 28.636 29.700 -0.028 0.000 0.743 515 E HN 0.576 nan 8.360 nan 0.000 0.453 516 I N 0.715 121.171 120.570 -0.190 0.000 2.113 516 I HA -0.231 4.223 4.170 0.473 0.000 0.238 516 I C 2.908 178.886 176.117 -0.232 0.000 1.070 516 I CA 2.014 63.122 61.300 -0.319 0.000 1.332 516 I CB -0.540 37.109 38.000 -0.585 0.000 1.044 516 I HN 0.313 nan 8.210 nan 0.000 0.402 517 T N -0.265 114.149 114.554 -0.233 0.000 2.699 517 T HA -0.323 4.310 4.350 0.473 0.000 0.268 517 T C 1.783 176.249 174.700 -0.390 0.000 1.036 517 T CA 1.804 63.628 62.100 -0.460 0.000 1.147 517 T CB -0.342 68.136 68.868 -0.650 0.000 0.862 517 T HN 0.307 nan 8.240 nan 0.000 0.446 518 Q N -0.262 119.404 119.800 -0.223 0.000 2.119 518 Q HA -0.084 4.540 4.340 0.473 0.000 0.201 518 Q C 1.955 177.934 176.000 -0.034 0.000 0.972 518 Q CA 1.203 56.928 55.803 -0.130 0.000 0.847 518 Q CB -0.442 28.246 28.738 -0.083 0.000 0.903 518 Q HN 0.715 nan 8.270 nan 0.000 0.433 519 Y N 0.283 120.536 120.300 -0.078 0.000 2.097 519 Y HA -0.240 4.593 4.550 0.472 0.000 0.282 519 Y C 1.699 177.608 175.900 0.016 0.000 1.152 519 Y CA 2.019 60.126 58.100 0.012 0.000 1.136 519 Y CB -0.278 38.246 38.460 0.107 0.000 0.975 519 Y HN 0.144 nan 8.280 nan 0.000 0.498 520 I N -0.170 120.365 120.570 -0.058 0.000 2.163 520 I HA -0.367 4.087 4.170 0.473 0.000 0.243 520 I C 2.521 178.562 176.117 -0.126 0.000 1.085 520 I CA 1.551 62.705 61.300 -0.243 0.000 1.347 520 I CB -0.559 37.271 38.000 -0.283 0.000 1.044 520 I HN 0.318 nan 8.210 nan 0.000 0.408 521 L N 0.835 122.008 121.223 -0.082 0.000 2.012 521 L HA -0.277 4.346 4.340 0.473 0.000 0.210 521 L C 2.839 179.695 176.870 -0.023 0.000 1.073 521 L CA 2.222 57.050 54.840 -0.020 0.000 0.748 521 L CB -1.290 40.722 42.059 -0.078 0.000 0.891 521 L HN 0.472 nan 8.230 nan 0.000 0.431 522 N N -0.687 117.963 118.700 -0.084 0.000 2.459 522 N HA -0.138 4.885 4.740 0.473 0.000 0.181 522 N C 1.476 176.927 175.510 -0.099 0.000 1.046 522 N CA 1.332 54.337 53.050 -0.075 0.000 0.904 522 N CB -0.313 38.138 38.487 -0.061 0.000 0.964 522 N HN 0.441 nan 8.380 nan 0.000 0.444 523 N N -1.959 116.632 118.700 -0.183 0.000 2.166 523 N HA 0.144 5.168 4.740 0.473 0.000 0.213 523 N C 0.692 176.216 175.510 0.024 0.000 1.222 523 N CA -0.421 52.520 53.050 -0.182 0.000 0.900 523 N CB 0.191 38.342 38.487 -0.561 0.000 1.055 523 N HN 0.429 nan 8.380 nan 0.000 0.515 524 F N 3.398 123.329 119.950 -0.032 0.000 2.008 524 F HA -0.242 4.570 4.527 0.476 0.000 0.297 524 F C 2.464 178.329 175.800 0.108 0.000 1.156 524 F CA 1.895 59.959 58.000 0.107 0.000 1.191 524 F CB -0.033 39.001 39.000 0.056 0.000 0.955 524 F HN -0.138 nan 8.300 nan 0.000 0.497 525 R N -0.221 120.406 120.500 0.212 0.000 2.162 525 R HA -0.340 4.284 4.340 0.473 0.000 0.245 525 R C 2.175 178.470 176.300 -0.008 0.000 1.129 525 R CA 2.289 58.440 56.100 0.084 0.000 0.940 525 R CB -1.114 29.260 30.300 0.125 0.000 0.875 525 R HN 0.423 nan 8.270 nan 0.000 0.437 526 Q N 0.919 120.721 119.800 0.003 0.000 2.047 526 Q HA -0.220 4.404 4.340 0.473 0.000 0.211 526 Q C 1.974 177.954 176.000 -0.034 0.000 1.005 526 Q CA 1.985 57.775 55.803 -0.023 0.000 0.866 526 Q CB -0.064 28.673 28.738 -0.002 0.000 0.938 526 Q HN 0.074 nan 8.270 nan 0.000 0.414 527 K N -0.594 119.800 120.400 -0.010 0.000 2.032 527 K HA -0.113 4.491 4.320 0.473 0.000 0.209 527 K C 2.147 178.809 176.600 0.104 0.000 1.048 527 K CA 1.915 58.212 56.287 0.017 0.000 0.927 527 K CB -0.927 31.590 32.500 0.029 0.000 0.712 527 K HN 0.634 nan 8.250 nan 0.000 0.441 528 T N -2.369 112.173 114.554 -0.020 0.000 3.160 528 T HA -0.024 4.610 4.350 0.473 0.000 0.257 528 T C 0.257 175.146 174.700 0.315 0.000 1.147 528 T CA 0.137 62.266 62.100 0.048 0.000 1.064 528 T CB -0.511 68.137 68.868 -0.368 0.000 0.949 528 T HN 0.386 nan 8.240 nan 0.000 0.526 529 H N 0.565 119.634 119.070 -0.002 0.000 2.941 529 H HA -0.103 4.737 4.556 0.474 0.000 0.279 529 H C 0.293 175.576 175.328 -0.074 0.000 1.247 529 H CA 0.340 56.383 56.048 -0.009 0.000 1.129 529 H CB -1.421 28.365 29.762 0.040 0.000 1.313 529 H HN 0.498 nan 8.280 nan 0.000 0.384 530 R N 0.230 120.747 120.500 0.029 0.000 2.555 530 R HA 0.055 4.679 4.340 0.473 0.000 0.272 530 R C 1.515 177.830 176.300 0.024 0.000 1.089 530 R CA 0.368 56.477 56.100 0.015 0.000 1.126 530 R CB 0.422 30.747 30.300 0.042 0.000 1.250 530 R HN 0.159 nan 8.270 nan 0.000 0.551 531 T N 0.046 114.608 114.554 0.013 0.000 2.939 531 T HA 0.051 4.685 4.350 0.473 0.000 0.254 531 T C 0.723 175.439 174.700 0.027 0.000 1.041 531 T CA 0.597 62.706 62.100 0.015 0.000 1.142 531 T CB 0.081 68.947 68.868 -0.003 0.000 0.874 531 T HN 0.252 nan 8.240 nan 0.000 0.452 532 F N 3.180 123.148 119.950 0.030 0.000 2.443 532 F HA 0.559 5.370 4.527 0.473 0.000 0.353 532 F C -2.194 173.628 175.800 0.038 0.000 1.101 532 F CA -3.111 54.915 58.000 0.043 0.000 1.226 532 F CB -0.727 38.306 39.000 0.055 0.000 1.140 532 F HN 0.046 nan 8.300 nan 0.000 0.557 533 P HA 0.233 nan 4.420 nan 0.000 0.255 533 P C 1.016 178.335 177.300 0.033 0.000 1.161 533 P CA 2.034 65.156 63.100 0.036 0.000 0.768 533 P CB 0.427 32.151 31.700 0.040 0.000 0.746 534 G N 2.503 111.318 108.800 0.026 0.000 2.217 534 G HA2 -0.270 3.974 3.960 0.473 0.000 0.246 534 G HA3 -0.270 3.974 3.960 0.473 0.000 0.246 534 G C 0.359 175.266 174.900 0.012 0.000 0.990 534 G CA 0.222 45.334 45.100 0.021 0.000 0.627 534 G HN 0.851 nan 8.290 nan 0.000 0.522 535 S N 0.104 115.810 115.700 0.010 0.000 2.552 535 S HA 0.458 5.211 4.470 0.473 0.000 0.289 535 S C 1.197 175.774 174.600 -0.040 0.000 1.304 535 S CA 1.103 59.296 58.200 -0.012 0.000 1.063 535 S CB 1.894 65.091 63.200 -0.006 0.000 0.848 535 S HN 0.755 nan 8.310 nan 0.000 0.499 536 K N 3.865 124.217 120.400 -0.080 0.000 2.108 536 K HA 0.389 4.993 4.320 0.473 0.000 0.204 536 K C 1.315 177.790 176.600 -0.208 0.000 1.036 536 K CA 1.282 57.506 56.287 -0.105 0.000 0.965 536 K CB -1.019 31.427 32.500 -0.090 0.000 0.804 536 K HN 1.339 nan 8.250 nan 0.000 0.454 537 G N -0.728 107.825 108.800 -0.412 0.000 2.528 537 G HA2 -0.254 3.990 3.960 0.473 0.000 0.262 537 G HA3 -0.254 3.990 3.960 0.473 0.000 0.262 537 G C -0.131 174.153 174.900 -1.027 0.000 1.200 537 G CA 0.140 44.742 45.100 -0.831 0.000 0.951 537 G HN 0.280 nan 8.290 nan 0.000 0.566 538 F N 0.843 120.720 119.950 -0.122 0.000 2.691 538 F HA 0.633 5.442 4.527 0.470 0.000 0.334 538 F C 0.671 176.409 175.800 -0.103 0.000 1.107 538 F CA -0.389 57.510 58.000 -0.168 0.000 0.991 538 F CB 1.968 40.830 39.000 -0.231 0.000 1.400 538 F HN 0.971 nan 8.300 nan 0.000 0.503 539 N N 0.044 118.837 118.700 0.154 0.000 2.966 539 N HA 0.890 5.914 4.740 0.473 0.000 0.314 539 N C -1.712 173.877 175.510 0.132 0.000 1.397 539 N CA -1.008 52.146 53.050 0.173 0.000 0.776 539 N CB 2.261 40.883 38.487 0.224 0.000 1.576 539 N HN 0.724 nan 8.380 nan 0.000 0.592 540 A N -0.119 122.874 122.820 0.288 0.000 2.532 540 A HA 0.672 5.276 4.320 0.473 0.000 0.290 540 A C -1.081 176.672 177.584 0.283 0.000 1.143 540 A CA -0.806 51.387 52.037 0.260 0.000 0.728 540 A CB 1.601 20.859 19.000 0.430 0.000 1.317 540 A HN 0.656 nan 8.150 nan 0.000 0.414 541 M N 0.426 120.162 119.600 0.226 0.000 2.664 541 M HA 0.535 5.299 4.480 0.473 0.000 0.314 541 M C -1.445 175.036 176.300 0.302 0.000 1.200 541 M CA -0.879 54.554 55.300 0.222 0.000 0.916 541 M CB 1.996 34.702 32.600 0.176 0.000 1.717 541 M HN 0.611 nan 8.290 nan 0.000 0.470 542 L N 2.088 123.458 121.223 0.245 0.000 2.319 542 L HA 0.751 5.375 4.340 0.473 0.000 0.281 542 L C -0.933 176.035 176.870 0.162 0.000 1.005 542 L CA -0.173 54.806 54.840 0.232 0.000 0.828 542 L CB 1.260 43.382 42.059 0.105 0.000 1.227 542 L HN 0.717 nan 8.230 nan 0.000 0.415 543 A N 5.510 128.435 122.820 0.175 0.000 2.274 543 A HA 0.734 5.338 4.320 0.473 0.000 0.309 543 A C -0.315 177.361 177.584 0.153 0.000 1.226 543 A CA 0.033 52.166 52.037 0.160 0.000 0.853 543 A CB 0.744 19.842 19.000 0.163 0.000 1.146 543 A HN 1.144 nan 8.150 nan 0.000 0.518 544 V N 0.099 120.099 119.914 0.143 0.000 3.145 544 V HA 0.766 5.170 4.120 0.473 0.000 0.311 544 V C 0.606 176.773 176.094 0.122 0.000 1.238 544 V CA 0.185 62.579 62.300 0.156 0.000 1.066 544 V CB 1.414 33.354 31.823 0.195 0.000 1.144 544 V HN 0.953 nan 8.190 nan 0.000 0.465 545 S N -0.213 115.553 115.700 0.110 0.000 2.506 545 S HA 0.423 5.176 4.470 0.473 0.000 0.219 545 S C 0.696 175.319 174.600 0.037 0.000 1.031 545 S CA 0.417 58.661 58.200 0.072 0.000 0.911 545 S CB -0.215 63.028 63.200 0.073 0.000 0.812 545 S HN 1.803 nan 8.310 nan 0.000 0.497 546 S N -0.620 115.093 115.700 0.021 0.000 2.615 546 S HA 0.475 5.228 4.470 0.473 0.000 0.268 546 S C 0.471 175.030 174.600 -0.068 0.000 1.146 546 S CA -0.382 57.809 58.200 -0.014 0.000 0.818 546 S CB 0.760 63.949 63.200 -0.017 0.000 1.111 546 S HN -0.104 nan 8.310 nan 0.000 0.465 547 V N 1.499 121.356 119.914 -0.094 0.000 2.343 547 V HA -0.132 4.272 4.120 0.473 0.000 0.247 547 V C 2.099 178.032 176.094 -0.269 0.000 1.051 547 V CA 2.413 64.570 62.300 -0.238 0.000 1.036 547 V CB -0.927 30.835 31.823 -0.101 0.000 0.654 547 V HN 0.901 nan 8.190 nan 0.000 0.451 548 D N 0.407 120.710 120.400 -0.162 0.000 2.144 548 D HA -0.133 4.791 4.640 0.473 0.000 0.199 548 D C 2.237 178.420 176.300 -0.195 0.000 0.984 548 D CA 1.597 55.487 54.000 -0.183 0.000 0.834 548 D CB -0.293 40.432 40.800 -0.124 0.000 0.955 548 D HN 0.457 nan 8.370 nan 0.000 0.465 549 A N 1.425 124.168 122.820 -0.128 0.000 1.883 549 A HA -0.103 4.501 4.320 0.473 0.000 0.217 549 A C 2.387 179.983 177.584 0.019 0.000 1.186 549 A CA 2.482 54.471 52.037 -0.081 0.000 0.624 549 A CB -0.887 18.129 19.000 0.028 0.000 0.822 549 A HN 0.239 nan 8.150 nan 0.000 0.444 550 A N -0.406 122.418 122.820 0.007 0.000 1.873 550 A HA -0.122 4.482 4.320 0.473 0.000 0.218 550 A C 2.431 180.047 177.584 0.053 0.000 1.193 550 A CA 3.626 55.704 52.037 0.068 0.000 0.629 550 A CB -1.216 17.686 19.000 -0.163 0.000 0.826 550 A HN 0.852 nan 8.150 nan 0.000 0.447 551 K N -0.757 119.461 120.400 -0.303 0.000 2.063 551 K HA 0.074 4.678 4.320 0.473 0.000 0.208 551 K C 2.386 178.757 176.600 -0.382 0.000 1.048 551 K CA 2.251 58.038 56.287 -0.834 0.000 0.928 551 K CB -1.453 30.417 32.500 -1.049 0.000 0.713 551 K HN 1.048 nan 8.250 nan 0.000 0.442 552 A N -0.622 122.053 122.820 -0.241 0.000 1.930 552 A HA 0.031 4.635 4.320 0.473 0.000 0.217 552 A C 2.350 179.862 177.584 -0.121 0.000 1.175 552 A CA 1.552 53.458 52.037 -0.218 0.000 0.627 552 A CB -0.491 18.316 19.000 -0.321 0.000 0.815 552 A HN 0.653 nan 8.150 nan 0.000 0.443 553 Y N -2.520 117.809 120.300 0.048 0.000 2.153 553 Y HA -0.201 4.633 4.550 0.474 0.000 0.289 553 Y C 2.382 178.491 175.900 0.348 0.000 1.127 553 Y CA 1.732 59.932 58.100 0.166 0.000 1.131 553 Y CB -0.522 38.069 38.460 0.219 0.000 0.995 553 Y HN 0.439 nan 8.280 nan 0.000 0.505 554 Y N 0.322 120.888 120.300 0.444 0.000 2.139 554 Y HA -0.395 4.438 4.550 0.473 0.000 0.282 554 Y C 2.370 178.498 175.900 0.380 0.000 1.179 554 Y CA 1.632 60.000 58.100 0.446 0.000 1.161 554 Y CB -0.523 38.316 38.460 0.632 0.000 0.970 554 Y HN 0.100 nan 8.280 nan 0.000 0.511 555 A N -1.372 121.702 122.820 0.424 0.000 1.929 555 A HA -0.116 4.488 4.320 0.473 0.000 0.216 555 A C 2.212 179.858 177.584 0.103 0.000 1.176 555 A CA 1.899 54.095 52.037 0.264 0.000 0.628 555 A CB -1.159 17.958 19.000 0.194 0.000 0.816 555 A HN 0.477 nan 8.150 nan 0.000 0.444 556 T N -0.204 114.386 114.554 0.059 0.000 2.788 556 T HA 0.031 4.665 4.350 0.473 0.000 0.268 556 T C 0.697 175.337 174.700 -0.101 0.000 1.044 556 T CA 0.619 62.682 62.100 -0.063 0.000 1.139 556 T CB -0.390 68.383 68.868 -0.159 0.000 0.867 556 T HN 0.314 nan 8.240 nan 0.000 0.454 573 P HA 0.654 nan 4.420 nan 0.000 0.282 573 P C -0.156 177.083 177.300 -0.101 0.000 1.259 573 P CA -0.667 62.392 63.100 -0.069 0.000 0.826 573 P CB 0.952 32.601 31.700 -0.084 0.000 1.064 574 L N 1.383 122.515 121.223 -0.152 0.000 2.456 574 L HA 0.373 4.997 4.340 0.473 0.000 0.257 574 L C 1.030 177.761 176.870 -0.232 0.000 1.162 574 L CA -0.742 53.951 54.840 -0.246 0.000 0.808 574 L CB 0.213 42.000 42.059 -0.454 0.000 1.136 574 L HN 0.317 nan 8.230 nan 0.000 0.466 575 R N 2.098 122.469 120.500 -0.216 0.000 2.275 575 R HA 0.522 5.146 4.340 0.473 0.000 0.326 575 R C -1.272 174.940 176.300 -0.147 0.000 0.973 575 R CA -0.696 55.303 56.100 -0.167 0.000 0.854 575 R CB 0.852 31.108 30.300 -0.074 0.000 1.156 575 R HN 0.314 nan 8.270 nan 0.000 0.487 576 I N 2.088 122.554 120.570 -0.173 0.000 2.428 576 I HA 0.480 4.934 4.170 0.473 0.000 0.296 576 I C 0.194 176.413 176.117 0.169 0.000 0.985 576 I CA -0.168 61.049 61.300 -0.139 0.000 1.260 576 I CB 1.832 39.594 38.000 -0.397 0.000 1.389 576 I HN 0.697 nan 8.210 nan 0.000 0.484 577 A N 3.426 126.394 122.820 0.246 0.000 2.515 577 A HA 0.881 5.485 4.320 0.473 0.000 0.296 577 A C -0.632 177.176 177.584 0.374 0.000 1.094 577 A CA -0.553 51.736 52.037 0.421 0.000 0.718 577 A CB 1.910 21.198 19.000 0.480 0.000 1.307 577 A HN 0.556 nan 8.150 nan 0.000 0.408 578 T N 0.341 115.127 114.554 0.387 0.000 2.906 578 T HA 0.714 5.348 4.350 0.473 0.000 0.295 578 T C -1.421 173.534 174.700 0.425 0.000 1.061 578 T CA -0.378 61.968 62.100 0.410 0.000 1.000 578 T CB 0.760 69.932 68.868 0.507 0.000 1.103 578 T HN 0.938 nan 8.240 nan 0.000 0.486 579 I N 5.009 125.863 120.570 0.473 0.000 2.649 579 I HA 0.687 5.141 4.170 0.473 0.000 0.289 579 I C -1.929 174.467 176.117 0.465 0.000 1.222 579 I CA -0.991 60.537 61.300 0.380 0.000 1.046 579 I CB 1.167 39.316 38.000 0.248 0.000 1.272 579 I HN 0.804 nan 8.210 nan 0.000 0.425 580 F N 4.231 124.347 119.950 0.276 0.000 2.744 580 F HA 0.735 5.545 4.527 0.472 0.000 0.311 580 F C -0.486 175.408 175.800 0.157 0.000 1.144 580 F CA -0.453 57.656 58.000 0.182 0.000 0.938 580 F CB 0.915 40.013 39.000 0.163 0.000 1.292 580 F HN 0.316 nan 8.300 nan 0.000 0.444 581 S N 0.926 116.752 115.700 0.210 0.000 4.019 581 S HA 0.726 5.480 4.470 0.473 0.000 0.199 581 S C -1.925 172.804 174.600 0.216 0.000 1.177 581 S CA -0.105 58.123 58.200 0.046 0.000 1.478 581 S CB 0.441 63.589 63.200 -0.086 0.000 1.580 581 S HN 1.071 nan 8.310 nan 0.000 0.766 582 F N 1.514 121.451 119.950 -0.022 0.000 2.588 582 F HA 0.796 5.607 4.527 0.473 0.000 0.314 582 F C -0.408 175.390 175.800 -0.002 0.000 1.134 582 F CA -0.219 57.786 58.000 0.008 0.000 0.961 582 F CB 1.348 40.342 39.000 -0.011 0.000 1.239 582 F HN 0.685 nan 8.300 nan 0.000 0.448 593 E N 1.083 121.288 120.200 0.009 0.000 2.384 593 E HA 0.414 5.048 4.350 0.473 0.000 0.266 593 E C 0.309 176.920 176.600 0.017 0.000 1.012 593 E CA -0.198 56.271 56.400 0.115 0.000 0.901 593 E CB 0.437 30.287 29.700 0.250 0.000 0.967 593 E HN 0.246 nan 8.360 nan 0.000 0.435 594 I N 3.505 124.089 120.570 0.023 0.000 2.371 594 I HA 0.049 4.503 4.170 0.473 0.000 0.290 594 I C 0.255 176.390 176.117 0.030 0.000 1.028 594 I CA -0.415 60.897 61.300 0.019 0.000 1.345 594 I CB 1.331 39.347 38.000 0.026 0.000 1.407 594 I HN 0.417 nan 8.210 nan 0.000 0.501 595 S N 5.104 120.809 115.700 0.009 0.000 2.465 595 S HA -0.019 4.735 4.470 0.473 0.000 0.280 595 S C -0.106 174.479 174.600 -0.025 0.000 1.232 595 S CA -0.540 57.651 58.200 -0.014 0.000 1.066 595 S CB -0.023 63.153 63.200 -0.039 0.000 0.929 595 S HN 0.577 nan 8.310 nan 0.000 0.494 596 D N 4.003 124.389 120.400 -0.024 0.000 2.424 596 D HA 0.094 5.017 4.640 0.473 0.000 0.244 596 D C -0.276 175.983 176.300 -0.068 0.000 1.134 596 D CA 0.289 54.273 54.000 -0.028 0.000 0.881 596 D CB 0.580 41.379 40.800 -0.002 0.000 1.191 596 D HN 0.613 nan 8.370 nan 0.000 0.445 597 E N 2.112 122.258 120.200 -0.091 0.000 2.176 597 E HA 0.251 4.885 4.350 0.473 0.000 0.267 597 E C -0.349 176.139 176.600 -0.186 0.000 0.893 597 E CA -0.849 55.480 56.400 -0.117 0.000 0.761 597 E CB 1.712 31.354 29.700 -0.098 0.000 1.133 597 E HN 0.390 nan 8.360 nan 0.000 0.409 598 T N 1.022 115.529 114.554 -0.079 0.000 2.788 598 T HA 0.165 4.799 4.350 0.473 0.000 0.287 598 T C 0.088 174.718 174.700 -0.117 0.000 1.007 598 T CA -0.148 61.936 62.100 -0.027 0.000 1.005 598 T CB 0.219 69.144 68.868 0.095 0.000 1.012 598 T HN 0.389 nan 8.240 nan 0.000 0.530 599 F N 1.364 121.366 119.950 0.086 0.000 2.660 599 F HA 0.290 5.100 4.527 0.472 0.000 0.297 599 F C 1.190 177.046 175.800 0.094 0.000 1.132 599 F CA -0.440 57.665 58.000 0.176 0.000 1.372 599 F CB 0.216 39.278 39.000 0.104 0.000 1.003 599 F HN 0.650 nan 8.300 nan 0.000 0.524 600 D N -1.041 119.413 120.400 0.090 0.000 3.028 600 D HA 0.236 5.160 4.640 0.473 0.000 0.205 600 D C 1.485 177.731 176.300 -0.091 0.000 1.489 600 D CA 1.072 55.082 54.000 0.016 0.000 1.452 600 D CB -0.526 40.306 40.800 0.053 0.000 1.052 600 D HN 0.068 nan 8.370 nan 0.000 0.221 609 K N 0.900 121.365 120.400 0.109 0.000 2.113 609 K HA -0.152 4.452 4.320 0.473 0.000 0.208 609 K C 1.579 178.192 176.600 0.023 0.000 1.047 609 K CA 2.257 58.551 56.287 0.012 0.000 0.928 609 K CB -1.037 31.441 32.500 -0.036 0.000 0.716 609 K HN 0.747 nan 8.250 nan 0.000 0.446 610 E N -1.494 118.749 120.200 0.072 0.000 2.152 610 E HA -0.014 4.619 4.350 0.473 0.000 0.192 610 E C 1.905 178.578 176.600 0.121 0.000 0.983 610 E CA 0.994 57.438 56.400 0.073 0.000 0.818 610 E CB -0.165 29.582 29.700 0.079 0.000 0.758 610 E HN 0.672 nan 8.360 nan 0.000 0.467 611 F N 0.963 120.945 119.950 0.053 0.000 2.187 611 F HA -0.098 4.712 4.527 0.473 0.000 0.295 611 F C 2.060 177.896 175.800 0.061 0.000 1.091 611 F CA 0.465 58.511 58.000 0.077 0.000 1.308 611 F CB 0.076 39.156 39.000 0.133 0.000 1.030 611 F HN -0.031 nan 8.300 nan 0.000 0.487 612 L N 1.623 122.842 121.223 -0.006 0.000 2.046 612 L HA -0.107 4.516 4.340 0.473 0.000 0.208 612 L C 2.256 178.940 176.870 -0.310 0.000 1.077 612 L CA 2.740 57.405 54.840 -0.292 0.000 0.747 612 L CB -1.662 40.146 42.059 -0.419 0.000 0.896 612 L HN 0.352 nan 8.230 nan 0.000 0.432 613 D N -1.115 119.170 120.400 -0.193 0.000 2.117 613 D HA -0.091 4.833 4.640 0.473 0.000 0.197 613 D C 2.051 178.254 176.300 -0.162 0.000 0.987 613 D CA 1.524 55.429 54.000 -0.157 0.000 0.829 613 D CB -0.695 40.052 40.800 -0.088 0.000 0.961 613 D HN 0.636 nan 8.370 nan 0.000 0.460 614 A N 0.180 122.897 122.820 -0.171 0.000 1.968 614 A HA 0.400 5.004 4.320 0.473 0.000 0.217 614 A C 2.731 180.165 177.584 -0.250 0.000 1.169 614 A CA 2.000 53.945 52.037 -0.153 0.000 0.638 614 A CB -0.520 18.430 19.000 -0.082 0.000 0.812 614 A HN 0.871 nan 8.150 nan 0.000 0.446 615 A N 0.077 122.612 122.820 -0.476 0.000 1.933 615 A HA -0.091 4.513 4.320 0.473 0.000 0.218 615 A C 2.051 179.491 177.584 -0.240 0.000 1.175 615 A CA 1.624 53.345 52.037 -0.527 0.000 0.628 615 A CB -0.550 18.000 19.000 -0.751 0.000 0.814 615 A HN 0.494 nan 8.150 nan 0.000 0.444 616 I N -0.751 119.643 120.570 -0.293 0.000 2.406 616 I HA -0.167 4.286 4.170 0.473 0.000 0.249 616 I C 3.174 179.270 176.117 -0.035 0.000 1.122 616 I CA 1.077 62.208 61.300 -0.281 0.000 1.431 616 I CB -0.405 37.303 38.000 -0.486 0.000 1.087 616 I HN 0.393 nan 8.210 nan 0.000 0.424 617 R N 0.944 121.419 120.500 -0.042 0.000 2.083 617 R HA -0.222 4.402 4.340 0.473 0.000 0.237 617 R C 1.992 178.340 176.300 0.080 0.000 1.137 617 R CA 2.063 58.175 56.100 0.021 0.000 0.951 617 R CB -1.618 28.681 30.300 -0.001 0.000 0.851 617 R HN 0.449 nan 8.270 nan 0.000 0.434 618 E N -1.080 119.164 120.200 0.074 0.000 2.048 618 E HA -0.264 4.370 4.350 0.473 0.000 0.202 618 E C 1.948 178.684 176.600 0.227 0.000 1.021 618 E CA 1.949 58.428 56.400 0.131 0.000 0.825 618 E CB -0.376 29.405 29.700 0.134 0.000 0.756 618 E HN 0.734 nan 8.360 nan 0.000 0.454 619 Y N 1.357 121.753 120.300 0.161 0.000 2.151 619 Y HA -0.317 4.517 4.550 0.472 0.000 0.284 619 Y C 2.087 178.193 175.900 0.343 0.000 1.166 619 Y CA 1.568 59.858 58.100 0.316 0.000 1.163 619 Y CB -0.007 38.685 38.460 0.387 0.000 0.974 619 Y HN 0.068 nan 8.280 nan 0.000 0.511 620 N N -0.111 118.901 118.700 0.520 0.000 2.069 620 N HA -0.186 4.838 4.740 0.473 0.000 0.191 620 N C 1.948 177.588 175.510 0.216 0.000 1.031 620 N CA 1.733 55.001 53.050 0.363 0.000 0.852 620 N CB -0.565 38.040 38.487 0.196 0.000 1.018 620 N HN 0.346 nan 8.380 nan 0.000 0.423 621 S N -0.222 115.573 115.700 0.159 0.000 2.353 621 S HA -0.186 4.568 4.470 0.473 0.000 0.222 621 S C 1.821 176.459 174.600 0.063 0.000 1.035 621 S CA 1.383 59.638 58.200 0.092 0.000 1.025 621 S CB -0.523 62.724 63.200 0.078 0.000 0.902 621 S HN 0.549 nan 8.310 nan 0.000 0.440 622 H N 0.129 119.155 119.070 -0.073 0.000 2.462 622 H HA 0.150 4.989 4.556 0.473 0.000 0.292 622 H C 0.997 176.095 175.328 -0.383 0.000 1.049 622 H CA 1.075 56.960 56.048 -0.272 0.000 1.334 622 H CB -0.178 29.323 29.762 -0.434 0.000 1.404 622 H HN 0.433 nan 8.280 nan 0.000 0.544 623 F N -0.064 119.812 119.950 -0.124 0.000 2.653 623 F HA 0.234 5.045 4.527 0.473 0.000 0.304 623 F C 1.377 177.151 175.800 -0.043 0.000 1.092 623 F CA 0.222 58.125 58.000 -0.162 0.000 1.279 623 F CB 0.319 39.244 39.000 -0.125 0.000 1.044 623 F HN 0.165 nan 8.300 nan 0.000 0.564 624 K N 1.435 121.891 120.400 0.094 0.000 3.311 624 K HA -0.220 4.384 4.320 0.473 0.000 0.270 624 K C 0.195 176.843 176.600 0.079 0.000 0.927 624 K CA 1.273 57.597 56.287 0.062 0.000 0.706 624 K CB -3.009 29.502 32.500 0.018 0.000 1.418 624 K HN 0.517 nan 8.250 nan 0.000 0.459 625 T N -3.258 111.367 114.554 0.119 0.000 2.804 625 T HA 0.719 5.352 4.350 0.473 0.000 0.272 625 T C 0.289 174.881 174.700 -0.180 0.000 0.986 625 T CA -0.257 61.830 62.100 -0.023 0.000 0.999 625 T CB 1.780 70.752 68.868 0.174 0.000 1.307 625 T HN 0.301 nan 8.240 nan 0.000 0.586 626 N N -0.313 118.029 118.700 -0.596 0.000 2.545 626 N HA 0.242 5.265 4.740 0.473 0.000 0.283 626 N C -1.448 173.795 175.510 -0.445 0.000 1.596 626 N CA -0.164 52.640 53.050 -0.409 0.000 0.862 626 N CB 0.486 38.811 38.487 -0.270 0.000 1.422 626 N HN 0.475 nan 8.380 nan 0.000 0.489 627 F N 0.845 120.837 119.950 0.069 0.000 2.412 627 F HA 0.330 5.141 4.527 0.473 0.000 0.348 627 F C 1.448 177.245 175.800 -0.006 0.000 1.102 627 F CA -0.175 57.850 58.000 0.042 0.000 1.196 627 F CB 0.925 39.962 39.000 0.062 0.000 1.144 627 F HN -0.177 nan 8.300 nan 0.000 0.541 628 S N 0.406 116.209 115.700 0.171 0.000 2.590 628 S HA 0.587 5.341 4.470 0.473 0.000 0.282 628 S C 1.283 175.932 174.600 0.081 0.000 1.136 628 S CA 0.067 58.317 58.200 0.084 0.000 1.030 628 S CB 0.764 64.005 63.200 0.067 0.000 1.195 628 S HN 0.840 nan 8.310 nan 0.000 0.506 629 T N 0.195 114.769 114.554 0.033 0.000 3.014 629 T HA 0.202 4.836 4.350 0.473 0.000 0.250 629 T C 0.376 175.091 174.700 0.025 0.000 1.060 629 T CA 0.066 62.165 62.100 -0.001 0.000 1.040 629 T CB -0.668 68.151 68.868 -0.082 0.000 0.971 629 T HN 0.642 nan 8.240 nan 0.000 0.497 630 D N 1.624 122.053 120.400 0.049 0.000 2.406 630 D HA 0.087 5.011 4.640 0.473 0.000 0.234 630 D C 1.266 177.634 176.300 0.115 0.000 1.196 630 D CA 0.438 54.472 54.000 0.056 0.000 0.881 630 D CB 0.373 41.203 40.800 0.050 0.000 1.205 630 D HN 0.140 nan 8.370 nan 0.000 0.453 631 S N 1.443 117.203 115.700 0.101 0.000 2.401 631 S HA -0.417 4.337 4.470 0.473 0.000 0.236 631 S C 1.615 176.319 174.600 0.173 0.000 1.058 631 S CA 1.937 60.225 58.200 0.147 0.000 1.151 631 S CB -0.975 62.283 63.200 0.097 0.000 1.049 631 S HN 0.793 nan 8.310 nan 0.000 0.432 632 N N 1.518 120.293 118.700 0.124 0.000 2.149 632 N HA -0.057 4.966 4.740 0.473 0.000 0.188 632 N C 1.738 177.350 175.510 0.171 0.000 1.019 632 N CA 1.466 54.588 53.050 0.119 0.000 0.857 632 N CB -0.666 37.877 38.487 0.092 0.000 0.997 632 N HN 0.414 nan 8.380 nan 0.000 0.426 633 G N -1.036 107.885 108.800 0.202 0.000 2.394 633 G HA2 -0.192 4.052 3.960 0.473 0.000 0.215 633 G HA3 -0.192 4.052 3.960 0.473 0.000 0.215 633 G C 1.337 176.430 174.900 0.322 0.000 1.165 633 G CA 0.342 45.605 45.100 0.271 0.000 0.784 633 G HN 0.425 nan 8.290 nan 0.000 0.535 634 F N 1.070 121.100 119.950 0.134 0.000 2.206 634 F HA -0.003 4.808 4.527 0.474 0.000 0.298 634 F C 2.745 178.666 175.800 0.202 0.000 1.090 634 F CA 1.680 59.769 58.000 0.149 0.000 1.323 634 F CB 0.099 39.158 39.000 0.098 0.000 1.028 634 F HN 0.259 nan 8.300 nan 0.000 0.492 635 Q N 0.640 120.507 119.800 0.112 0.000 2.224 635 Q HA -0.183 4.441 4.340 0.473 0.000 0.203 635 Q C 1.595 177.575 176.000 -0.033 0.000 0.970 635 Q CA 1.845 57.616 55.803 -0.053 0.000 0.865 635 Q CB -0.447 28.251 28.738 -0.067 0.000 0.922 635 Q HN 0.330 nan 8.270 nan 0.000 0.445 636 N N -0.922 117.799 118.700 0.034 0.000 2.416 636 N HA -0.094 4.929 4.740 0.473 0.000 0.177 636 N C 1.110 176.369 175.510 -0.419 0.000 1.036 636 N CA 0.667 53.723 53.050 0.009 0.000 0.901 636 N CB -0.072 38.592 38.487 0.295 0.000 0.976 636 N HN 0.432 nan 8.380 nan 0.000 0.444 637 Y N 0.219 120.140 120.300 -0.631 0.000 2.220 637 Y HA -0.242 4.593 4.550 0.474 0.000 0.291 637 Y C 2.506 178.064 175.900 -0.571 0.000 1.129 637 Y CA 1.195 58.722 58.100 -0.953 0.000 1.161 637 Y CB -0.287 37.824 38.460 -0.581 0.000 0.997 637 Y HN 0.014 nan 8.280 nan 0.000 0.522 638 Y N 0.904 120.857 120.300 -0.579 0.000 2.145 638 Y HA -0.210 4.624 4.550 0.473 0.000 0.286 638 Y C 2.754 178.531 175.900 -0.205 0.000 1.145 638 Y CA 1.884 59.732 58.100 -0.420 0.000 1.148 638 Y CB -0.493 37.777 38.460 -0.318 0.000 0.981 638 Y HN -0.013 nan 8.280 nan 0.000 0.507 639 R N 0.510 121.009 120.500 -0.001 0.000 2.113 639 R HA -0.254 4.370 4.340 0.473 0.000 0.231 639 R C 2.259 178.488 176.300 -0.119 0.000 1.129 639 R CA 2.204 58.316 56.100 0.019 0.000 0.915 639 R CB -0.977 29.367 30.300 0.073 0.000 0.837 639 R HN 0.501 nan 8.270 nan 0.000 0.430 640 D N 0.484 120.731 120.400 -0.256 0.000 2.158 640 D HA -0.203 4.720 4.640 0.473 0.000 0.197 640 D C 1.947 178.042 176.300 -0.342 0.000 0.995 640 D CA 0.954 54.791 54.000 -0.272 0.000 0.846 640 D CB 0.009 40.602 40.800 -0.346 0.000 0.941 640 D HN 0.272 nan 8.370 nan 0.000 0.456 641 L N 0.458 121.360 121.223 -0.534 0.000 2.027 641 L HA -0.154 4.470 4.340 0.473 0.000 0.206 641 L C 2.600 179.182 176.870 -0.481 0.000 1.074 641 L CA 1.437 55.963 54.840 -0.524 0.000 0.745 641 L CB -0.547 41.041 42.059 -0.786 0.000 0.898 641 L HN 0.001 nan 8.230 nan 0.000 0.433 642 A N -0.444 122.067 122.820 -0.515 0.000 1.908 642 A HA -0.336 4.268 4.320 0.473 0.000 0.218 642 A C 2.149 179.630 177.584 -0.171 0.000 1.181 642 A CA 2.088 53.806 52.037 -0.531 0.000 0.627 642 A CB -0.699 18.151 19.000 -0.250 0.000 0.818 642 A HN 0.627 nan 8.150 nan 0.000 0.445 643 Q N -0.525 119.147 119.800 -0.213 0.000 2.014 643 Q HA -0.226 4.397 4.340 0.473 0.000 0.207 643 Q C 2.272 178.123 176.000 -0.248 0.000 0.993 643 Q CA 2.116 57.721 55.803 -0.330 0.000 0.850 643 Q CB -0.165 28.244 28.738 -0.549 0.000 0.916 643 Q HN 0.645 nan 8.270 nan 0.000 0.417 644 R N -0.701 119.649 120.500 -0.251 0.000 2.193 644 R HA -0.082 4.542 4.340 0.473 0.000 0.229 644 R C 2.136 178.370 176.300 -0.110 0.000 1.110 644 R CA 1.103 57.072 56.100 -0.219 0.000 0.988 644 R CB 0.051 30.150 30.300 -0.335 0.000 0.871 644 R HN 0.210 nan 8.270 nan 0.000 0.458 645 V N 0.879 120.739 119.914 -0.089 0.000 2.649 645 V HA -0.148 4.256 4.120 0.473 0.000 0.248 645 V C 2.283 178.420 176.094 0.071 0.000 1.054 645 V CA 1.246 63.562 62.300 0.027 0.000 1.073 645 V CB -0.347 31.485 31.823 0.014 0.000 0.699 645 V HN 0.230 nan 8.190 nan 0.000 0.463 646 K N 1.654 122.070 120.400 0.027 0.000 2.211 646 K HA -0.132 4.472 4.320 0.473 0.000 0.203 646 K C 1.472 178.020 176.600 -0.086 0.000 1.050 646 K CA 1.736 57.965 56.287 -0.097 0.000 0.945 646 K CB -0.131 32.297 32.500 -0.121 0.000 0.732 646 K HN 0.796 nan 8.250 nan 0.000 0.451 647 N N -0.809 117.847 118.700 -0.073 0.000 2.177 647 N HA -0.003 5.021 4.740 0.473 0.000 0.218 647 N C -0.596 174.896 175.510 -0.029 0.000 1.182 647 N CA -0.212 52.800 53.050 -0.063 0.000 0.882 647 N CB 0.507 38.941 38.487 -0.089 0.000 1.052 647 N HN 0.036 nan 8.380 nan 0.000 0.519 648 Q N -0.388 119.409 119.800 -0.004 0.000 2.504 648 Q HA -0.159 4.465 4.340 0.473 0.000 0.274 648 Q C -0.700 175.340 176.000 0.066 0.000 1.103 648 Q CA 0.741 56.568 55.803 0.039 0.000 0.962 648 Q CB -1.418 27.338 28.738 0.031 0.000 1.322 648 Q HN 0.445 nan 8.270 nan 0.000 0.500 649 D N -0.112 120.321 120.400 0.056 0.000 2.323 649 D HA 0.178 5.102 4.640 0.473 0.000 0.209 649 D C 0.334 176.789 176.300 0.258 0.000 0.973 649 D CA 0.867 54.956 54.000 0.150 0.000 0.874 649 D CB 0.433 41.235 40.800 0.004 0.000 0.930 649 D HN 0.354 nan 8.370 nan 0.000 0.521 650 I N 0.219 120.875 120.570 0.143 0.000 2.569 650 I HA 0.158 4.611 4.170 0.473 0.000 0.296 650 I C 0.459 176.644 176.117 0.113 0.000 1.028 650 I CA -0.590 60.795 61.300 0.143 0.000 1.082 650 I CB 2.490 40.563 38.000 0.122 0.000 1.264 650 I HN -0.299 nan 8.210 nan 0.000 0.429 651 D N 3.790 124.232 120.400 0.070 0.000 2.262 651 D HA 0.171 5.095 4.640 0.473 0.000 0.212 651 D C 0.073 176.476 176.300 0.171 0.000 0.964 651 D CA 1.055 55.129 54.000 0.123 0.000 0.875 651 D CB 0.941 41.707 40.800 -0.057 0.000 0.996 651 D HN 0.120 nan 8.370 nan 0.000 0.497 652 L N 1.545 122.758 121.223 -0.017 0.000 2.409 652 L HA 0.352 4.976 4.340 0.473 0.000 0.272 652 L C -1.584 175.299 176.870 0.022 0.000 0.980 652 L CA -0.822 54.037 54.840 0.032 0.000 0.826 652 L CB 2.521 44.452 42.059 -0.214 0.000 1.268 652 L HN -0.105 nan 8.230 nan 0.000 0.407 653 L N 5.981 127.255 121.223 0.085 0.000 2.275 653 L HA 0.492 5.115 4.340 0.473 0.000 0.288 653 L C -0.626 176.312 176.870 0.114 0.000 1.046 653 L CA 0.111 55.002 54.840 0.085 0.000 0.805 653 L CB 1.071 43.149 42.059 0.032 0.000 1.193 653 L HN 0.467 nan 8.230 nan 0.000 0.426 654 I N 6.504 127.161 120.570 0.146 0.000 2.281 654 I HA 0.257 4.711 4.170 0.473 0.000 0.293 654 I C -0.228 176.030 176.117 0.236 0.000 1.085 654 I CA -0.262 61.141 61.300 0.171 0.000 1.257 654 I CB 1.099 39.231 38.000 0.219 0.000 1.430 654 I HN 0.395 nan 8.210 nan 0.000 0.489 655 V N 7.002 127.042 119.914 0.210 0.000 2.994 655 V HA 0.384 4.788 4.120 0.473 0.000 0.318 655 V C 0.584 176.794 176.094 0.195 0.000 1.085 655 V CA -0.234 62.208 62.300 0.236 0.000 0.998 655 V CB 2.723 34.682 31.823 0.227 0.000 1.063 655 V HN 0.508 nan 8.190 nan 0.000 0.447 656 V N 2.387 122.415 119.914 0.191 0.000 2.635 656 V HA 0.332 4.735 4.120 0.473 0.000 0.233 656 V C 1.668 177.830 176.094 0.113 0.000 1.097 656 V CA 1.290 63.670 62.300 0.132 0.000 1.134 656 V CB 0.065 31.953 31.823 0.108 0.000 0.841 656 V HN 0.940 nan 8.190 nan 0.000 0.496 657 G N -1.232 107.629 108.800 0.102 0.000 3.342 657 G HA2 0.331 4.575 3.960 0.473 0.000 0.252 657 G HA3 0.331 4.575 3.960 0.473 0.000 0.252 657 G C 0.271 175.209 174.900 0.063 0.000 1.011 657 G CA -0.181 44.963 45.100 0.074 0.000 0.869 657 G HN 0.227 nan 8.290 nan 0.000 0.514 658 M N -0.334 119.303 119.600 0.062 0.000 2.283 658 M HA 0.486 5.250 4.480 0.473 0.000 0.314 658 M C 0.402 176.716 176.300 0.024 0.000 1.153 658 M CA -0.250 55.022 55.300 -0.047 0.000 1.084 658 M CB 0.577 33.103 32.600 -0.124 0.000 1.468 658 M HN 0.228 nan 8.290 nan 0.000 0.474 659 F N 0.119 120.103 119.950 0.056 0.000 3.079 659 F HA -0.320 4.491 4.527 0.473 0.000 0.285 659 F C 0.728 176.590 175.800 0.103 0.000 0.819 659 F CA -0.064 57.917 58.000 -0.032 0.000 1.067 659 F CB -1.414 37.345 39.000 -0.401 0.000 1.263 659 F HN 0.503 nan 8.300 nan 0.000 0.458 660 L N -0.229 121.135 121.223 0.235 0.000 2.592 660 L HA 0.043 4.667 4.340 0.473 0.000 0.227 660 L C 1.780 178.769 176.870 0.198 0.000 1.127 660 L CA 1.412 56.379 54.840 0.210 0.000 0.884 660 L CB -0.207 41.946 42.059 0.156 0.000 1.065 660 L HN 0.484 nan 8.230 nan 0.000 0.457 661 T N -6.657 108.025 114.554 0.214 0.000 3.105 661 T HA 0.137 4.771 4.350 0.473 0.000 0.257 661 T C 1.436 176.261 174.700 0.207 0.000 0.949 661 T CA 0.596 62.806 62.100 0.184 0.000 0.959 661 T CB 0.403 69.359 68.868 0.147 0.000 1.205 661 T HN 0.117 nan 8.240 nan 0.000 0.496 662 G N 0.223 109.176 108.800 0.255 0.000 3.079 662 G HA2 0.336 4.580 3.960 0.473 0.000 0.233 662 G HA3 0.336 4.580 3.960 0.473 0.000 0.233 662 G C -0.008 175.092 174.900 0.332 0.000 1.062 662 G CA -0.628 44.633 45.100 0.268 0.000 0.809 662 G HN 0.506 nan 8.290 nan 0.000 0.535 663 F N 2.011 122.090 119.950 0.215 0.000 2.623 663 F HA 0.204 5.018 4.527 0.477 0.000 0.383 663 F C -0.051 175.820 175.800 0.119 0.000 1.077 663 F CA -0.592 57.522 58.000 0.189 0.000 1.268 663 F CB 0.740 39.859 39.000 0.199 0.000 1.053 663 F HN 0.048 nan 8.300 nan 0.000 0.571 664 D N 5.676 125.936 120.400 -0.232 0.000 2.427 664 D HA 0.523 5.446 4.640 0.473 0.000 0.226 664 D C -1.298 174.628 176.300 -0.624 0.000 1.076 664 D CA -0.320 53.514 54.000 -0.277 0.000 0.849 664 D CB 1.045 41.801 40.800 -0.074 0.000 1.052 664 D HN 0.642 nan 8.370 nan 0.000 0.515 665 A N 4.719 127.185 122.820 -0.589 0.000 2.679 665 A HA 0.457 5.061 4.320 0.473 0.000 0.288 665 A C -2.221 175.212 177.584 -0.252 0.000 1.160 665 A CA -1.088 50.639 52.037 -0.516 0.000 0.763 665 A CB 1.380 19.913 19.000 -0.779 0.000 1.270 665 A HN 0.448 nan 8.150 nan 0.000 0.417 666 P HA -0.056 nan 4.420 nan 0.000 0.229 666 P C 1.374 178.558 177.300 -0.194 0.000 1.160 666 P CA 1.633 64.700 63.100 -0.056 0.000 0.777 666 P CB 0.049 31.834 31.700 0.141 0.000 0.814 667 T N -3.581 110.835 114.554 -0.231 0.000 3.194 667 T HA 0.127 4.761 4.350 0.473 0.000 0.251 667 T C 0.463 175.129 174.700 -0.057 0.000 1.132 667 T CA -0.196 61.785 62.100 -0.199 0.000 1.028 667 T CB -0.725 68.002 68.868 -0.235 0.000 0.976 667 T HN -0.081 nan 8.240 nan 0.000 0.535 668 L N 3.520 124.654 121.223 -0.148 0.000 2.265 668 L HA 0.462 5.086 4.340 0.473 0.000 0.288 668 L C 0.786 177.512 176.870 -0.241 0.000 1.058 668 L CA -0.246 54.524 54.840 -0.116 0.000 0.809 668 L CB 0.920 42.938 42.059 -0.068 0.000 1.179 668 L HN 0.205 nan 8.230 nan 0.000 0.429 669 N N 1.545 120.068 118.700 -0.296 0.000 2.181 669 N HA 0.104 5.128 4.740 0.473 0.000 0.207 669 N C -0.627 174.712 175.510 -0.286 0.000 1.182 669 N CA -0.157 52.635 53.050 -0.430 0.000 0.893 669 N CB 0.749 38.752 38.487 -0.807 0.000 1.032 669 N HN 0.493 nan 8.380 nan 0.000 0.513 670 T N 1.393 115.797 114.554 -0.250 0.000 2.991 670 T HA 0.450 5.083 4.350 0.473 0.000 0.303 670 T C -1.684 172.792 174.700 -0.374 0.000 1.015 670 T CA -0.574 61.304 62.100 -0.369 0.000 1.007 670 T CB 1.994 70.599 68.868 -0.439 0.000 1.034 670 T HN 0.167 nan 8.240 nan 0.000 0.446 671 L N 3.942 124.896 121.223 -0.447 0.000 2.349 671 L HA 0.740 5.364 4.340 0.473 0.000 0.278 671 L C -1.648 174.989 176.870 -0.389 0.000 0.996 671 L CA -0.560 54.105 54.840 -0.292 0.000 0.825 671 L CB 0.486 42.428 42.059 -0.195 0.000 1.243 671 L HN 0.538 nan 8.230 nan 0.000 0.412 672 F N 4.817 124.806 119.950 0.064 0.000 2.411 672 F HA 0.564 5.376 4.527 0.476 0.000 0.350 672 F C 0.153 176.037 175.800 0.139 0.000 1.114 672 F CA -0.571 57.515 58.000 0.143 0.000 1.135 672 F CB 1.493 40.684 39.000 0.319 0.000 1.120 672 F HN 0.146 nan 8.300 nan 0.000 0.495 673 V N 2.565 122.631 119.914 0.253 0.000 2.378 673 V HA 0.249 4.653 4.120 0.473 0.000 0.288 673 V C -0.833 175.481 176.094 0.368 0.000 1.016 673 V CA -0.615 61.824 62.300 0.232 0.000 0.840 673 V CB 1.530 33.429 31.823 0.126 0.000 0.994 673 V HN 0.611 nan 8.190 nan 0.000 0.431 674 D N 4.490 125.089 120.400 0.332 0.000 2.517 674 D HA 0.425 5.349 4.640 0.473 0.000 0.301 674 D C -0.449 175.983 176.300 0.220 0.000 1.202 674 D CA -0.054 54.143 54.000 0.328 0.000 0.910 674 D CB 0.268 41.267 40.800 0.331 0.000 1.021 674 D HN 0.612 nan 8.370 nan 0.000 0.499 675 K N 1.205 121.713 120.400 0.180 0.000 2.622 675 K HA 0.222 4.826 4.320 0.473 0.000 0.273 675 K C -1.455 175.202 176.600 0.095 0.000 0.957 675 K CA -0.741 55.622 56.287 0.127 0.000 0.861 675 K CB 0.937 33.513 32.500 0.127 0.000 1.405 675 K HN -0.032 nan 8.250 nan 0.000 0.406 676 N N 4.267 123.003 118.700 0.060 0.000 2.437 676 N HA 0.256 5.280 4.740 0.473 0.000 0.243 676 N C -0.812 174.700 175.510 0.005 0.000 1.041 676 N CA -0.111 52.956 53.050 0.028 0.000 0.940 676 N CB 0.591 39.088 38.487 0.016 0.000 1.133 676 N HN 0.346 nan 8.380 nan 0.000 0.506 677 L N 3.118 124.330 121.223 -0.020 0.000 2.329 677 L HA 0.578 5.202 4.340 0.473 0.000 0.279 677 L C 0.484 177.262 176.870 -0.153 0.000 1.014 677 L CA -0.848 53.943 54.840 -0.082 0.000 0.814 677 L CB 1.251 43.249 42.059 -0.101 0.000 1.257 677 L HN 0.372 nan 8.230 nan 0.000 0.424 678 R N 1.963 122.364 120.500 -0.165 0.000 2.817 678 R HA 0.558 5.182 4.340 0.473 0.000 0.268 678 R C -0.535 175.663 176.300 -0.171 0.000 1.027 678 R CA -0.878 55.067 56.100 -0.258 0.000 0.928 678 R CB 1.042 31.186 30.300 -0.260 0.000 1.228 678 R HN 0.557 nan 8.270 nan 0.000 0.469 679 Y N 0.071 120.357 120.300 -0.024 0.000 2.875 679 Y HA -0.476 4.358 4.550 0.473 0.000 0.467 679 Y C 2.532 178.581 175.900 0.248 0.000 1.183 679 Y CA 1.821 60.008 58.100 0.145 0.000 2.568 679 Y CB -1.315 37.244 38.460 0.165 0.000 1.216 679 Y HN 0.986 nan 8.280 nan 0.000 0.629 680 H N 0.381 119.784 119.070 0.555 0.000 2.352 680 H HA -0.102 4.738 4.556 0.472 0.000 0.299 680 H C 2.170 177.541 175.328 0.072 0.000 1.097 680 H CA 1.703 57.877 56.048 0.209 0.000 1.311 680 H CB -1.262 28.567 29.762 0.111 0.000 1.377 680 H HN 0.705 nan 8.280 nan 0.000 0.504 681 G N 2.610 111.101 108.800 -0.515 0.000 2.418 681 G HA2 -0.201 4.043 3.960 0.473 0.000 0.217 681 G HA3 -0.201 4.043 3.960 0.473 0.000 0.217 681 G C 1.865 176.656 174.900 -0.181 0.000 1.158 681 G CA 0.765 45.700 45.100 -0.276 0.000 0.771 681 G HN 0.374 nan 8.290 nan 0.000 0.545 682 L N 0.431 121.506 121.223 -0.247 0.000 1.989 682 L HA -0.065 4.559 4.340 0.473 0.000 0.211 682 L C 2.700 179.278 176.870 -0.488 0.000 1.071 682 L CA 1.999 56.566 54.840 -0.454 0.000 0.749 682 L CB -0.864 40.889 42.059 -0.509 0.000 0.890 682 L HN 0.144 nan 8.230 nan 0.000 0.431 683 M N -0.334 119.146 119.600 -0.200 0.000 2.108 683 M HA -0.240 4.524 4.480 0.473 0.000 0.261 683 M C 2.236 178.565 176.300 0.048 0.000 1.066 683 M CA 1.671 56.966 55.300 -0.009 0.000 1.107 683 M CB -1.318 31.324 32.600 0.069 0.000 1.356 683 M HN 0.411 nan 8.290 nan 0.000 0.406 684 Q N -0.709 119.101 119.800 0.017 0.000 2.167 684 Q HA -0.054 4.570 4.340 0.473 0.000 0.202 684 Q C 2.160 178.228 176.000 0.114 0.000 0.970 684 Q CA 1.592 57.443 55.803 0.079 0.000 0.855 684 Q CB -0.182 28.603 28.738 0.078 0.000 0.911 684 Q HN 0.585 nan 8.270 nan 0.000 0.438 685 A N 0.285 123.151 122.820 0.077 0.000 1.861 685 A HA -0.090 4.513 4.320 0.473 0.000 0.212 685 A C 1.641 179.368 177.584 0.237 0.000 1.199 685 A CA 0.652 52.785 52.037 0.160 0.000 0.613 685 A CB -0.576 18.519 19.000 0.159 0.000 0.846 685 A HN 0.259 nan 8.150 nan 0.000 0.446 686 F N 1.376 121.253 119.950 -0.121 0.000 2.192 686 F HA -0.158 4.651 4.527 0.471 0.000 0.301 686 F C 2.756 178.449 175.800 -0.178 0.000 1.079 686 F CA 1.089 58.869 58.000 -0.367 0.000 1.303 686 F CB -1.197 37.287 39.000 -0.860 0.000 1.024 686 F HN 0.149 nan 8.300 nan 0.000 0.494 687 S N -0.584 115.309 115.700 0.321 0.000 2.419 687 S HA -0.176 4.578 4.470 0.473 0.000 0.233 687 S C 1.985 176.732 174.600 0.246 0.000 1.016 687 S CA 0.597 59.037 58.200 0.400 0.000 0.974 687 S CB -0.171 63.221 63.200 0.320 0.000 0.786 687 S HN 0.156 nan 8.310 nan 0.000 0.492 688 R N 1.292 121.908 120.500 0.193 0.000 2.204 688 R HA -0.111 4.513 4.340 0.473 0.000 0.253 688 R C 2.305 178.651 176.300 0.077 0.000 1.172 688 R CA 1.875 58.064 56.100 0.149 0.000 0.994 688 R CB -1.572 28.843 30.300 0.193 0.000 0.874 688 R HN 0.634 nan 8.270 nan 0.000 0.462 689 T N -2.643 111.960 114.554 0.082 0.000 3.129 689 T HA -0.005 4.629 4.350 0.473 0.000 0.251 689 T C 0.924 175.669 174.700 0.075 0.000 1.117 689 T CA 0.562 62.677 62.100 0.026 0.000 1.034 689 T CB -0.445 68.417 68.868 -0.010 0.000 0.968 689 T HN 0.582 nan 8.240 nan 0.000 0.526 690 N N -0.152 118.638 118.700 0.150 0.000 2.270 690 N HA 0.107 5.131 4.740 0.473 0.000 0.198 690 N C 0.172 175.699 175.510 0.028 0.000 1.117 690 N CA -0.806 52.318 53.050 0.122 0.000 0.845 690 N CB 0.145 38.727 38.487 0.157 0.000 0.980 690 N HN -0.002 nan 8.380 nan 0.000 0.486 691 R N 1.784 122.291 120.500 0.013 0.000 2.438 691 R HA 0.282 4.906 4.340 0.473 0.000 0.287 691 R C 0.293 176.590 176.300 -0.006 0.000 1.077 691 R CA -0.474 55.634 56.100 0.014 0.000 1.034 691 R CB 0.510 30.826 30.300 0.025 0.000 0.993 691 R HN 0.358 nan 8.270 nan 0.000 0.459 692 I N -0.165 120.388 120.570 -0.029 0.000 2.720 692 I HA 0.194 4.648 4.170 0.473 0.000 0.287 692 I C 0.083 176.293 176.117 0.154 0.000 1.090 692 I CA -0.053 61.214 61.300 -0.055 0.000 1.384 692 I CB 0.704 38.549 38.000 -0.258 0.000 1.420 692 I HN 0.734 nan 8.210 nan 0.000 0.575 693 Y N 2.553 122.876 120.300 0.039 0.000 3.280 693 Y HA 0.165 5.001 4.550 0.477 0.000 0.195 693 Y C -0.503 175.515 175.900 0.197 0.000 0.916 693 Y CA 0.561 58.774 58.100 0.188 0.000 1.655 693 Y CB 0.739 39.278 38.460 0.133 0.000 1.472 693 Y HN 0.910 nan 8.280 nan 0.000 0.384 694 D N -1.050 119.413 120.400 0.107 0.000 2.992 694 D HA 0.256 5.179 4.640 0.473 0.000 0.349 694 D C 0.592 176.928 176.300 0.060 0.000 1.393 694 D CA 0.041 54.047 54.000 0.011 0.000 0.887 694 D CB 0.264 41.009 40.800 -0.091 0.000 1.447 694 D HN 0.261 nan 8.370 nan 0.000 0.524 695 A N -0.546 122.297 122.820 0.038 0.000 2.042 695 A HA -0.135 4.468 4.320 0.473 0.000 0.222 695 A C 1.933 179.533 177.584 0.026 0.000 1.167 695 A CA 2.670 54.721 52.037 0.023 0.000 0.649 695 A CB -1.305 17.708 19.000 0.022 0.000 0.809 695 A HN 0.561 nan 8.150 nan 0.000 0.457 696 T N -0.997 113.615 114.554 0.097 0.000 2.812 696 T HA -0.007 4.627 4.350 0.473 0.000 0.264 696 T C 1.075 175.824 174.700 0.081 0.000 1.042 696 T CA 0.961 63.149 62.100 0.147 0.000 1.140 696 T CB -0.054 68.972 68.868 0.264 0.000 0.870 696 T HN 0.398 nan 8.240 nan 0.000 0.445 697 K N 2.096 122.528 120.400 0.054 0.000 2.263 697 K HA 0.176 4.779 4.320 0.473 0.000 0.282 697 K C 0.937 177.336 176.600 -0.335 0.000 1.089 697 K CA 0.019 56.094 56.287 -0.354 0.000 0.907 697 K CB 0.994 33.227 32.500 -0.446 0.000 1.148 697 K HN 0.081 nan 8.250 nan 0.000 0.470 698 T N 3.435 117.666 114.554 -0.538 0.000 3.010 698 T HA 0.151 4.785 4.350 0.473 0.000 0.252 698 T C 0.115 174.468 174.700 -0.580 0.000 1.047 698 T CA 0.531 62.278 62.100 -0.588 0.000 1.140 698 T CB 0.095 68.522 68.868 -0.736 0.000 0.885 698 T HN 0.508 nan 8.240 nan 0.000 0.464 699 F N -1.204 118.679 119.950 -0.111 0.000 2.848 699 F HA 0.748 5.558 4.527 0.471 0.000 0.321 699 F C -0.001 175.714 175.800 -0.143 0.000 1.179 699 F CA -1.560 56.387 58.000 -0.088 0.000 0.932 699 F CB 0.622 39.597 39.000 -0.042 0.000 1.392 699 F HN -0.045 nan 8.300 nan 0.000 0.488 700 G N 0.420 109.342 108.800 0.203 0.000 2.388 700 G HA2 0.467 4.710 3.960 0.473 0.000 0.330 700 G HA3 0.467 4.710 3.960 0.473 0.000 0.330 700 G C -1.453 173.471 174.900 0.041 0.000 1.142 700 G CA -0.897 44.227 45.100 0.040 0.000 0.908 700 G HN 0.533 nan 8.290 nan 0.000 0.473 701 N N 1.043 119.681 118.700 -0.104 0.000 2.472 701 N HA 0.276 5.300 4.740 0.473 0.000 0.277 701 N C -0.397 174.887 175.510 -0.377 0.000 1.081 701 N CA -0.244 52.688 53.050 -0.197 0.000 0.973 701 N CB 1.986 40.348 38.487 -0.209 0.000 1.105 701 N HN 0.176 nan 8.380 nan 0.000 0.470 702 I N 2.813 123.106 120.570 -0.460 0.000 2.405 702 I HA 0.209 4.663 4.170 0.473 0.000 0.280 702 I C -0.262 175.546 176.117 -0.515 0.000 1.027 702 I CA -0.631 60.266 61.300 -0.672 0.000 1.161 702 I CB 0.948 38.239 38.000 -1.181 0.000 1.300 702 I HN 0.016 nan 8.210 nan 0.000 0.463 703 V N 5.876 125.519 119.914 -0.453 0.000 2.333 703 V HA 0.368 4.771 4.120 0.473 0.000 0.274 703 V C 0.691 176.516 176.094 -0.448 0.000 1.028 703 V CA -0.338 61.746 62.300 -0.360 0.000 0.851 703 V CB 1.406 33.136 31.823 -0.155 0.000 1.000 703 V HN 0.854 nan 8.190 nan 0.000 0.456 704 T N 1.222 115.499 114.554 -0.462 0.000 2.888 704 T HA 0.638 5.271 4.350 0.473 0.000 0.284 704 T C 0.029 174.429 174.700 -0.500 0.000 1.017 704 T CA -0.431 61.452 62.100 -0.362 0.000 1.022 704 T CB 1.411 70.231 68.868 -0.079 0.000 1.013 704 T HN 0.251 nan 8.240 nan 0.000 0.465 705 F N 0.145 120.199 119.950 0.172 0.000 2.682 705 F HA 0.431 5.243 4.527 0.474 0.000 0.308 705 F C 1.335 177.312 175.800 0.295 0.000 1.093 705 F CA -0.899 57.211 58.000 0.184 0.000 1.244 705 F CB 0.471 39.542 39.000 0.119 0.000 1.052 705 F HN 0.227 nan 8.300 nan 0.000 0.573 706 R N 0.662 121.363 120.500 0.335 0.000 2.711 706 R HA 0.168 4.791 4.340 0.473 0.000 0.284 706 R C -0.688 175.565 176.300 -0.078 0.000 0.968 706 R CA -0.879 55.322 56.100 0.167 0.000 0.924 706 R CB 1.265 31.632 30.300 0.111 0.000 1.162 706 R HN -0.110 nan 8.270 nan 0.000 0.465 707 D N 3.609 123.678 120.400 -0.552 0.000 2.349 707 D HA -0.017 4.907 4.640 0.473 0.000 0.266 707 D C 0.072 176.215 176.300 -0.262 0.000 1.293 707 D CA 0.356 53.924 54.000 -0.719 0.000 0.926 707 D CB 0.706 40.986 40.800 -0.866 0.000 1.090 707 D HN 0.445 nan 8.370 nan 0.000 0.502 708 L N 3.547 124.693 121.223 -0.128 0.000 2.959 708 L HA 0.144 4.768 4.340 0.473 0.000 0.259 708 L C 2.038 178.893 176.870 -0.024 0.000 1.185 708 L CA -0.324 54.493 54.840 -0.039 0.000 0.998 708 L CB 0.261 42.365 42.059 0.074 0.000 1.337 708 L HN 0.424 nan 8.230 nan 0.000 0.555 709 E N 0.929 121.099 120.200 -0.051 0.000 2.023 709 E HA -0.256 4.378 4.350 0.473 0.000 0.196 709 E C 2.203 178.782 176.600 -0.036 0.000 1.003 709 E CA 1.271 57.655 56.400 -0.026 0.000 0.809 709 E CB 0.202 29.881 29.700 -0.034 0.000 0.755 709 E HN 0.270 nan 8.360 nan 0.000 0.449 710 R N 0.293 120.757 120.500 -0.060 0.000 2.081 710 R HA -0.062 4.562 4.340 0.473 0.000 0.235 710 R C 2.451 178.695 176.300 -0.093 0.000 1.131 710 R CA 1.386 57.449 56.100 -0.062 0.000 0.960 710 R CB -0.589 29.674 30.300 -0.061 0.000 0.856 710 R HN 0.123 nan 8.270 nan 0.000 0.436 711 S N -0.144 115.483 115.700 -0.122 0.000 2.370 711 S HA -0.126 4.628 4.470 0.473 0.000 0.226 711 S C 1.870 176.340 174.600 -0.215 0.000 1.033 711 S CA 1.942 60.018 58.200 -0.206 0.000 1.011 711 S CB -0.231 62.855 63.200 -0.190 0.000 0.852 711 S HN 0.452 nan 8.310 nan 0.000 0.457 712 T N 2.461 116.950 114.554 -0.107 0.000 2.701 712 T HA 0.037 4.671 4.350 0.473 0.000 0.263 712 T C 1.770 176.459 174.700 -0.018 0.000 1.040 712 T CA 1.118 63.190 62.100 -0.047 0.000 1.147 712 T CB -0.432 68.489 68.868 0.088 0.000 0.865 712 T HN 0.285 nan 8.240 nan 0.000 0.426 713 I N 1.370 121.933 120.570 -0.011 0.000 2.151 713 I HA -0.251 4.203 4.170 0.473 0.000 0.243 713 I C 2.392 178.499 176.117 -0.017 0.000 1.080 713 I CA 1.402 62.701 61.300 -0.001 0.000 1.339 713 I CB -0.399 37.596 38.000 -0.007 0.000 1.039 713 I HN 0.157 nan 8.210 nan 0.000 0.409 714 D N 0.700 121.059 120.400 -0.068 0.000 2.123 714 D HA -0.156 4.768 4.640 0.473 0.000 0.196 714 D C 2.179 178.444 176.300 -0.057 0.000 0.992 714 D CA 1.611 55.567 54.000 -0.073 0.000 0.833 714 D CB -0.176 40.510 40.800 -0.189 0.000 0.954 714 D HN 0.390 nan 8.370 nan 0.000 0.455 715 A N 0.682 123.422 122.820 -0.134 0.000 1.832 715 A HA -0.124 4.479 4.320 0.473 0.000 0.214 715 A C 2.418 180.107 177.584 0.175 0.000 1.200 715 A CA 0.997 53.042 52.037 0.013 0.000 0.610 715 A CB -0.952 18.018 19.000 -0.051 0.000 0.842 715 A HN 0.187 nan 8.150 nan 0.000 0.444 716 I N 0.022 120.678 120.570 0.143 0.000 2.185 716 I HA -0.328 4.125 4.170 0.473 0.000 0.246 716 I C 2.619 178.823 176.117 0.146 0.000 1.088 716 I CA 1.971 63.377 61.300 0.175 0.000 1.347 716 I CB -0.552 37.527 38.000 0.132 0.000 1.041 716 I HN 0.339 nan 8.210 nan 0.000 0.415 717 T N 0.912 115.512 114.554 0.078 0.000 2.674 717 T HA -0.176 4.458 4.350 0.473 0.000 0.265 717 T C 1.985 176.690 174.700 0.008 0.000 1.039 717 T CA 1.085 63.209 62.100 0.040 0.000 1.150 717 T CB -0.354 68.523 68.868 0.016 0.000 0.864 717 T HN 0.299 nan 8.240 nan 0.000 0.427 718 L N -0.006 121.185 121.223 -0.054 0.000 2.079 718 L HA -0.019 4.605 4.340 0.473 0.000 0.210 718 L C 0.749 177.440 176.870 -0.299 0.000 1.081 718 L CA 1.695 56.385 54.840 -0.249 0.000 0.752 718 L CB -0.265 41.562 42.059 -0.386 0.000 0.896 718 L HN 0.303 nan 8.230 nan 0.000 0.433 719 F N -0.637 119.453 119.950 0.234 0.000 2.974 719 F HA 0.306 5.117 4.527 0.473 0.000 0.292 719 F C 0.996 177.002 175.800 0.343 0.000 1.209 719 F CA 0.027 58.235 58.000 0.347 0.000 1.366 719 F CB 0.393 39.596 39.000 0.339 0.000 1.033 719 F HN 0.098 nan 8.300 nan 0.000 0.516 720 G N 0.044 109.029 108.800 0.308 0.000 2.680 720 G HA2 0.300 4.544 3.960 0.473 0.000 0.092 720 G HA3 0.300 4.544 3.960 0.473 0.000 0.092 720 G C -1.541 173.403 174.900 0.073 0.000 1.097 720 G CA 0.181 45.394 45.100 0.188 0.000 1.368 720 G HN 0.264 nan 8.290 nan 0.000 0.619 721 D N -1.657 118.764 120.400 0.035 0.000 2.992 721 D HA 0.373 5.297 4.640 0.473 0.000 0.349 721 D C 0.209 176.511 176.300 0.003 0.000 1.393 721 D CA -0.559 53.441 54.000 0.001 0.000 0.887 721 D CB 0.571 41.363 40.800 -0.012 0.000 1.447 721 D HN 0.279 nan 8.370 nan 0.000 0.524 722 K N -1.364 119.033 120.400 -0.006 0.000 2.459 722 K HA 0.232 4.836 4.320 0.473 0.000 0.193 722 K C 1.700 178.298 176.600 -0.003 0.000 1.030 722 K CA 1.188 57.473 56.287 -0.004 0.000 1.026 722 K CB -0.543 31.952 32.500 -0.008 0.000 0.809 722 K HN 0.467 nan 8.250 nan 0.000 0.504 723 N N -0.128 118.568 118.700 -0.006 0.000 2.405 723 N HA -0.072 4.952 4.740 0.473 0.000 0.175 723 N C 1.640 177.146 175.510 -0.006 0.000 1.051 723 N CA 1.038 54.083 53.050 -0.008 0.000 0.899 723 N CB -0.640 37.839 38.487 -0.013 0.000 1.000 723 N HN 0.066 nan 8.380 nan 0.000 0.451 724 T N 1.163 115.717 114.554 -0.001 0.000 2.714 724 T HA -0.276 4.357 4.350 0.473 0.000 0.268 724 T C 1.981 176.686 174.700 0.009 0.000 1.036 724 T CA 1.902 64.004 62.100 0.004 0.000 1.148 724 T CB -0.326 68.558 68.868 0.027 0.000 0.856 724 T HN 0.907 nan 8.240 nan 0.000 0.462 725 K N 1.687 122.097 120.400 0.017 0.000 2.057 725 K HA -0.074 4.530 4.320 0.473 0.000 0.207 725 K C 1.972 178.575 176.600 0.005 0.000 1.049 725 K CA 1.492 57.793 56.287 0.022 0.000 0.931 725 K CB -0.391 32.123 32.500 0.024 0.000 0.714 725 K HN 0.173 nan 8.250 nan 0.000 0.440 726 N N 0.912 119.609 118.700 -0.006 0.000 2.334 726 N HA -0.119 4.905 4.740 0.473 0.000 0.187 726 N C 1.670 177.169 175.510 -0.018 0.000 1.016 726 N CA 1.227 54.268 53.050 -0.016 0.000 0.879 726 N CB -0.113 38.365 38.487 -0.015 0.000 0.965 726 N HN 0.128 nan 8.380 nan 0.000 0.438 727 V N -0.182 119.721 119.914 -0.019 0.000 2.949 727 V HA 0.016 4.420 4.120 0.473 0.000 0.245 727 V C 2.172 178.243 176.094 -0.038 0.000 1.086 727 V CA 0.496 62.780 62.300 -0.026 0.000 1.097 727 V CB 0.276 32.076 31.823 -0.038 0.000 0.762 727 V HN -0.009 nan 8.190 nan 0.000 0.470 728 V N -0.186 119.705 119.914 -0.040 0.000 2.535 728 V HA 0.060 4.464 4.120 0.473 0.000 0.246 728 V C 0.961 177.033 176.094 -0.037 0.000 1.045 728 V CA 0.867 63.125 62.300 -0.070 0.000 1.058 728 V CB -0.215 31.579 31.823 -0.048 0.000 0.689 728 V HN 0.303 nan 8.190 nan 0.000 0.461 729 L N 1.223 122.445 121.223 -0.001 0.000 2.276 729 L HA 0.328 4.952 4.340 0.473 0.000 0.286 729 L C 0.331 177.177 176.870 -0.041 0.000 1.061 729 L CA -0.451 54.392 54.840 0.006 0.000 0.807 729 L CB 0.887 42.959 42.059 0.022 0.000 1.177 729 L HN 0.155 nan 8.230 nan 0.000 0.429 730 E N 4.327 124.474 120.200 -0.087 0.000 2.413 730 E HA 0.032 4.666 4.350 0.473 0.000 0.263 730 E C -0.140 176.415 176.600 -0.075 0.000 1.015 730 E CA 0.003 56.334 56.400 -0.115 0.000 0.916 730 E CB 0.635 30.107 29.700 -0.381 0.000 0.947 730 E HN 0.372 nan 8.360 nan 0.000 0.440 731 K N 0.730 121.073 120.400 -0.096 0.000 2.143 731 K HA 0.133 4.737 4.320 0.473 0.000 0.239 731 K C 0.649 177.252 176.600 0.006 0.000 1.048 731 K CA -0.357 55.795 56.287 -0.225 0.000 0.867 731 K CB -0.039 32.015 32.500 -0.742 0.000 1.088 731 K HN 0.506 nan 8.250 nan 0.000 0.510 732 S N -1.110 114.553 115.700 -0.061 0.000 2.632 732 S HA 0.003 4.756 4.470 0.473 0.000 0.271 732 S C 1.143 175.801 174.600 0.096 0.000 1.260 732 S CA -0.674 57.596 58.200 0.116 0.000 1.010 732 S CB 0.440 63.670 63.200 0.050 0.000 0.965 732 S HN 0.688 nan 8.310 nan 0.000 0.534 733 Y N 2.855 123.166 120.300 0.019 0.000 2.003 733 Y HA -0.315 4.518 4.550 0.473 0.000 0.261 733 Y C 2.482 178.312 175.900 -0.116 0.000 1.211 733 Y CA 2.883 60.845 58.100 -0.231 0.000 1.098 733 Y CB -1.446 37.006 38.460 -0.014 0.000 0.925 733 Y HN 0.805 nan 8.280 nan 0.000 0.498 734 T N 0.198 114.645 114.554 -0.179 0.000 2.759 734 T HA -0.230 4.404 4.350 0.473 0.000 0.269 734 T C 1.634 176.222 174.700 -0.188 0.000 1.042 734 T CA 1.771 63.737 62.100 -0.222 0.000 1.140 734 T CB -0.330 68.529 68.868 -0.015 0.000 0.864 734 T HN 0.489 nan 8.240 nan 0.000 0.455 735 E N -0.304 119.797 120.200 -0.165 0.000 2.153 735 E HA -0.100 4.534 4.350 0.473 0.000 0.194 735 E C 1.529 178.085 176.600 -0.073 0.000 0.988 735 E CA 1.041 57.347 56.400 -0.156 0.000 0.811 735 E CB -0.122 29.305 29.700 -0.454 0.000 0.746 735 E HN 0.638 nan 8.360 nan 0.000 0.466 736 Y N -1.136 119.070 120.300 -0.157 0.000 2.523 736 Y HA 0.068 4.898 4.550 0.467 0.000 0.279 736 Y C 1.914 177.720 175.900 -0.157 0.000 1.139 736 Y CA 0.186 58.220 58.100 -0.110 0.000 1.296 736 Y CB 0.462 38.756 38.460 -0.275 0.000 1.045 736 Y HN 0.051 nan 8.280 nan 0.000 0.538 737 M N -0.881 118.628 119.600 -0.150 0.000 2.501 737 M HA 0.011 4.775 4.480 0.473 0.000 0.261 737 M C 0.829 177.144 176.300 0.026 0.000 1.129 737 M CA 1.104 56.352 55.300 -0.087 0.000 1.126 737 M CB 0.166 32.564 32.600 -0.335 0.000 1.359 737 M HN 0.215 nan 8.290 nan 0.000 0.471 738 E N -0.158 120.037 120.200 -0.008 0.000 2.508 738 E HA 0.343 4.977 4.350 0.473 0.000 0.217 738 E C 0.672 177.286 176.600 0.023 0.000 0.896 738 E CA 0.306 56.715 56.400 0.015 0.000 1.118 738 E CB 1.274 30.973 29.700 -0.001 0.000 1.133 738 E HN 0.403 nan 8.360 nan 0.000 0.526 739 G N 1.820 110.648 108.800 0.046 0.000 2.650 739 G HA2 0.027 4.271 3.960 0.473 0.000 0.686 739 G HA3 0.027 4.271 3.960 0.473 0.000 0.686 739 G C -0.607 174.353 174.900 0.101 0.000 1.205 739 G CA -0.464 44.641 45.100 0.007 0.000 0.781 739 G HN 0.164 nan 8.290 nan 0.000 0.648 740 F N -2.307 117.568 119.950 -0.125 0.000 2.926 740 F HA 0.846 5.654 4.527 0.468 0.000 0.321 740 F C -0.449 175.289 175.800 -0.103 0.000 1.168 740 F CA -0.698 57.229 58.000 -0.122 0.000 0.890 740 F CB 0.991 39.884 39.000 -0.178 0.000 1.357 740 F HN 0.703 nan 8.300 nan 0.000 0.468 741 T N 1.496 116.075 114.554 0.042 0.000 2.815 741 T HA 0.294 4.928 4.350 0.473 0.000 0.289 741 T C -0.812 173.963 174.700 0.126 0.000 1.000 741 T CA -0.381 61.673 62.100 -0.076 0.000 0.958 741 T CB 1.135 69.987 68.868 -0.026 0.000 0.944 741 T HN 0.730 nan 8.240 nan 0.000 0.442 747 E N 0.943 121.111 120.200 -0.052 0.000 2.180 747 E HA 0.736 5.369 4.350 0.473 0.000 0.283 747 E C 0.519 177.024 176.600 -0.159 0.000 1.061 747 E CA -0.051 56.297 56.400 -0.087 0.000 0.861 747 E CB 0.674 30.328 29.700 -0.077 0.000 1.056 747 E HN 1.489 nan 8.360 nan 0.000 0.407 748 A N 3.889 126.615 122.820 -0.156 0.000 2.566 748 A HA 0.327 4.930 4.320 0.473 0.000 0.245 748 A C 0.272 177.682 177.584 -0.290 0.000 1.056 748 A CA 0.211 52.114 52.037 -0.224 0.000 0.757 748 A CB 0.035 18.948 19.000 -0.146 0.000 0.979 748 A HN 0.577 nan 8.150 nan 0.000 0.508 749 K N 3.126 123.227 120.400 -0.499 0.000 2.235 749 K HA 0.272 4.875 4.320 0.473 0.000 0.266 749 K C -0.348 176.070 176.600 -0.303 0.000 0.980 749 K CA -0.524 55.509 56.287 -0.423 0.000 0.849 749 K CB 1.728 33.874 32.500 -0.588 0.000 1.098 749 K HN 0.782 nan 8.250 nan 0.000 0.445 750 R N 0.549 120.957 120.500 -0.153 0.000 2.590 750 R HA 0.234 4.857 4.340 0.473 0.000 0.274 750 R C 0.435 176.716 176.300 -0.031 0.000 1.061 750 R CA -0.117 55.935 56.100 -0.081 0.000 1.081 750 R CB 0.123 30.397 30.300 -0.043 0.000 0.984 750 R HN 0.867 nan 8.270 nan 0.000 0.448 751 G N 2.577 111.396 108.800 0.031 0.000 2.858 751 G HA2 -0.257 3.987 3.960 0.473 0.000 0.266 751 G HA3 -0.257 3.987 3.960 0.473 0.000 0.266 751 G C -0.161 174.790 174.900 0.085 0.000 1.023 751 G CA -0.257 44.869 45.100 0.043 0.000 1.172 751 G HN 0.711 nan 8.290 nan 0.000 0.523 752 F N 2.778 122.727 119.950 -0.002 0.000 2.113 752 F HA 0.021 4.830 4.527 0.470 0.000 0.297 752 F C 2.564 178.401 175.800 0.061 0.000 1.103 752 F CA 2.142 60.144 58.000 0.003 0.000 1.248 752 F CB -0.038 38.938 39.000 -0.041 0.000 0.999 752 F HN 0.391 nan 8.300 nan 0.000 0.475 753 M N -0.053 119.635 119.600 0.147 0.000 2.086 753 M HA -0.175 4.589 4.480 0.473 0.000 0.261 753 M C 2.102 178.396 176.300 -0.010 0.000 1.067 753 M CA 2.017 57.356 55.300 0.066 0.000 1.116 753 M CB -1.490 31.199 32.600 0.148 0.000 1.348 753 M HN 0.138 nan 8.290 nan 0.000 0.407 754 T N 0.986 115.543 114.554 0.006 0.000 2.699 754 T HA -0.123 4.511 4.350 0.473 0.000 0.268 754 T C 2.022 176.703 174.700 -0.031 0.000 1.036 754 T CA 1.448 63.544 62.100 -0.008 0.000 1.147 754 T CB -0.522 68.343 68.868 -0.005 0.000 0.862 754 T HN 0.131 nan 8.240 nan 0.000 0.446 755 V N 0.992 120.867 119.914 -0.065 0.000 2.261 755 V HA -0.155 4.249 4.120 0.473 0.000 0.246 755 V C 2.692 178.734 176.094 -0.087 0.000 1.047 755 V CA 1.346 63.603 62.300 -0.072 0.000 1.015 755 V CB -0.698 31.072 31.823 -0.088 0.000 0.642 755 V HN 0.312 nan 8.190 nan 0.000 0.446 756 V N -0.077 119.713 119.914 -0.206 0.000 2.282 756 V HA -0.301 4.102 4.120 0.473 0.000 0.249 756 V C 2.732 178.810 176.094 -0.027 0.000 1.057 756 V CA 2.485 64.700 62.300 -0.142 0.000 1.032 756 V CB -0.827 30.853 31.823 -0.239 0.000 0.645 756 V HN 0.674 nan 8.190 nan 0.000 0.447 757 S N -0.379 115.312 115.700 -0.016 0.000 2.359 757 S HA -0.301 4.453 4.470 0.473 0.000 0.223 757 S C 1.960 176.580 174.600 0.032 0.000 1.039 757 S CA 2.274 60.484 58.200 0.017 0.000 1.042 757 S CB -0.374 62.835 63.200 0.015 0.000 0.915 757 S HN 0.737 nan 8.310 nan 0.000 0.439 758 E N 0.505 120.724 120.200 0.032 0.000 2.077 758 E HA -0.114 4.519 4.350 0.473 0.000 0.193 758 E C 2.218 178.897 176.600 0.131 0.000 0.989 758 E CA 1.268 57.706 56.400 0.064 0.000 0.800 758 E CB -0.324 29.418 29.700 0.070 0.000 0.746 758 E HN 0.497 nan 8.360 nan 0.000 0.452 759 L N 0.864 122.167 121.223 0.133 0.000 2.012 759 L HA -0.260 4.364 4.340 0.473 0.000 0.210 759 L C 2.413 179.437 176.870 0.257 0.000 1.073 759 L CA 1.489 56.443 54.840 0.190 0.000 0.748 759 L CB -0.195 41.816 42.059 -0.081 0.000 0.891 759 L HN 0.157 nan 8.230 nan 0.000 0.431 760 E N -1.112 119.188 120.200 0.167 0.000 2.047 760 E HA -0.225 4.409 4.350 0.473 0.000 0.191 760 E C 2.308 178.957 176.600 0.082 0.000 0.987 760 E CA 0.863 57.350 56.400 0.145 0.000 0.799 760 E CB 0.110 29.872 29.700 0.103 0.000 0.752 760 E HN 0.389 nan 8.360 nan 0.000 0.449 761 Q N 0.056 119.883 119.800 0.045 0.000 2.084 761 Q HA -0.117 4.507 4.340 0.473 0.000 0.202 761 Q C 2.082 178.042 176.000 -0.067 0.000 0.978 761 Q CA 1.345 57.144 55.803 -0.006 0.000 0.844 761 Q CB -0.080 28.651 28.738 -0.012 0.000 0.898 761 Q HN 0.150 nan 8.270 nan 0.000 0.426 762 R N -1.460 118.976 120.500 -0.106 0.000 2.189 762 R HA 0.107 4.731 4.340 0.473 0.000 0.203 762 R C 0.368 176.277 176.300 -0.653 0.000 1.012 762 R CA 0.258 56.117 56.100 -0.403 0.000 1.015 762 R CB 0.503 30.492 30.300 -0.517 0.000 0.938 762 R HN 0.060 nan 8.270 nan 0.000 0.472 763 F N -0.361 119.629 119.950 0.067 0.000 2.761 763 F HA 0.320 5.132 4.527 0.474 0.000 0.367 763 F C -1.875 173.963 175.800 0.063 0.000 1.386 763 F CA -1.708 56.332 58.000 0.067 0.000 1.177 763 F CB 1.643 40.718 39.000 0.126 0.000 1.092 763 F HN -0.130 nan 8.300 nan 0.000 0.517 764 P HA -0.041 nan 4.420 nan 0.000 0.242 764 P C -0.251 177.024 177.300 -0.041 0.000 1.197 764 P CA 0.716 63.833 63.100 0.027 0.000 0.765 764 P CB -0.275 31.424 31.700 -0.001 0.000 0.936 765 D N -1.772 118.611 120.400 -0.029 0.000 9.888 765 D HA -0.200 4.723 4.640 0.473 0.000 0.356 765 D C -1.877 174.370 176.300 -0.089 0.000 2.948 765 D CA 0.374 54.326 54.000 -0.080 0.000 2.242 765 D CB -1.927 38.780 40.800 -0.155 0.000 1.138 765 D HN 0.042 nan 8.370 nan 0.000 1.101 766 P HA -0.065 nan 4.420 nan 0.000 0.218 766 P C 1.320 178.582 177.300 -0.064 0.000 1.148 766 P CA 2.647 65.691 63.100 -0.093 0.000 0.822 766 P CB -0.386 31.265 31.700 -0.081 0.000 0.784 767 T N -3.748 110.776 114.554 -0.050 0.000 3.118 767 T HA -0.076 4.557 4.350 0.473 0.000 0.269 767 T C 1.613 176.299 174.700 -0.023 0.000 1.166 767 T CA 1.301 63.380 62.100 -0.036 0.000 1.073 767 T CB -0.859 67.987 68.868 -0.037 0.000 0.884 767 T HN 0.068 nan 8.240 nan 0.000 0.550 768 S N 0.838 116.534 115.700 -0.007 0.000 2.404 768 S HA 0.276 5.030 4.470 0.473 0.000 0.223 768 S C 1.030 175.717 174.600 0.146 0.000 1.040 768 S CA -0.243 57.972 58.200 0.026 0.000 0.957 768 S CB -0.247 62.990 63.200 0.061 0.000 0.826 768 S HN 0.502 nan 8.310 nan 0.000 0.491 769 I N 2.435 123.078 120.570 0.122 0.000 3.332 769 I HA -0.074 4.380 4.170 0.473 0.000 0.280 769 I C 1.527 177.674 176.117 0.049 0.000 1.285 769 I CA 0.709 62.059 61.300 0.085 0.000 1.347 769 I CB 0.266 38.254 38.000 -0.020 0.000 1.353 769 I HN 0.369 nan 8.210 nan 0.000 0.611 770 E N 0.714 120.935 120.200 0.036 0.000 2.436 770 E HA -0.005 4.629 4.350 0.473 0.000 0.167 770 E C -0.434 176.171 176.600 0.008 0.000 0.898 770 E CA -0.162 56.241 56.400 0.004 0.000 1.354 770 E CB -0.573 29.113 29.700 -0.023 0.000 1.442 770 E HN 0.570 nan 8.360 nan 0.000 0.671 771 S N 0.204 115.923 115.700 0.032 0.000 2.580 771 S HA 0.485 5.239 4.470 0.473 0.000 0.274 771 S C 1.425 176.071 174.600 0.076 0.000 1.329 771 S CA 0.319 58.543 58.200 0.040 0.000 1.036 771 S CB 1.509 64.728 63.200 0.031 0.000 0.919 771 S HN 0.325 nan 8.310 nan 0.000 0.515 772 E N 2.016 122.275 120.200 0.098 0.000 2.114 772 E HA -0.268 4.366 4.350 0.473 0.000 0.199 772 E C 1.863 178.497 176.600 0.057 0.000 1.008 772 E CA 2.133 58.635 56.400 0.171 0.000 0.810 772 E CB -0.943 28.890 29.700 0.223 0.000 0.739 772 E HN 0.846 nan 8.360 nan 0.000 0.456 773 K N -0.105 120.299 120.400 0.007 0.000 2.026 773 K HA -0.215 4.389 4.320 0.473 0.000 0.208 773 K C 2.388 179.011 176.600 0.040 0.000 1.048 773 K CA 1.681 57.945 56.287 -0.038 0.000 0.929 773 K CB -0.167 32.321 32.500 -0.019 0.000 0.713 773 K HN 0.548 nan 8.250 nan 0.000 0.439 774 E N 0.601 120.866 120.200 0.109 0.000 2.023 774 E HA -0.206 4.427 4.350 0.473 0.000 0.196 774 E C 2.063 178.856 176.600 0.322 0.000 1.003 774 E CA 1.671 58.214 56.400 0.239 0.000 0.809 774 E CB 0.027 29.848 29.700 0.203 0.000 0.755 774 E HN 0.244 nan 8.360 nan 0.000 0.449 775 K N 0.912 121.470 120.400 0.263 0.000 2.052 775 K HA -0.285 4.318 4.320 0.473 0.000 0.215 775 K C 2.207 179.021 176.600 0.356 0.000 1.053 775 K CA 1.747 58.258 56.287 0.373 0.000 0.934 775 K CB -0.217 32.557 32.500 0.456 0.000 0.717 775 K HN -0.010 nan 8.250 nan 0.000 0.450 776 K N 0.948 121.382 120.400 0.056 0.000 2.000 776 K HA -0.236 4.368 4.320 0.473 0.000 0.218 776 K C 1.656 178.230 176.600 -0.043 0.000 1.053 776 K CA 2.346 58.463 56.287 -0.282 0.000 0.946 776 K CB -0.144 31.920 32.500 -0.726 0.000 0.723 776 K HN 0.144 nan 8.250 nan 0.000 0.446 777 D N 0.108 120.539 120.400 0.051 0.000 2.149 777 D HA -0.194 4.730 4.640 0.473 0.000 0.198 777 D C 1.802 178.191 176.300 0.148 0.000 0.990 777 D CA 1.020 55.100 54.000 0.132 0.000 0.839 777 D CB -0.481 40.466 40.800 0.245 0.000 0.948 777 D HN 0.283 nan 8.370 nan 0.000 0.460 778 F N 2.237 122.111 119.950 -0.127 0.000 2.095 778 F HA -0.238 4.577 4.527 0.480 0.000 0.298 778 F C 2.213 177.941 175.800 -0.121 0.000 1.104 778 F CA 1.057 58.694 58.000 -0.604 0.000 1.232 778 F CB -0.572 37.797 39.000 -1.051 0.000 0.987 778 F HN -0.224 nan 8.300 nan 0.000 0.475 779 V N 1.343 121.078 119.914 -0.298 0.000 2.231 779 V HA -0.396 4.008 4.120 0.473 0.000 0.248 779 V C 2.633 178.651 176.094 -0.127 0.000 1.054 779 V CA 2.522 64.685 62.300 -0.229 0.000 1.015 779 V CB -0.883 30.845 31.823 -0.160 0.000 0.638 779 V HN 0.400 nan 8.190 nan 0.000 0.444 780 K N -0.625 119.706 120.400 -0.115 0.000 2.015 780 K HA -0.275 4.328 4.320 0.473 0.000 0.220 780 K C 2.244 178.802 176.600 -0.071 0.000 1.055 780 K CA 2.375 58.612 56.287 -0.082 0.000 0.951 780 K CB -0.451 32.019 32.500 -0.051 0.000 0.725 780 K HN 0.361 nan 8.250 nan 0.000 0.449 781 L N 0.046 121.235 121.223 -0.056 0.000 1.989 781 L HA -0.213 4.411 4.340 0.473 0.000 0.211 781 L C 2.489 179.311 176.870 -0.081 0.000 1.071 781 L CA 1.728 56.552 54.840 -0.027 0.000 0.749 781 L CB -0.433 41.667 42.059 0.069 0.000 0.890 781 L HN 0.283 nan 8.230 nan 0.000 0.431 782 F N 0.624 120.350 119.950 -0.374 0.000 2.365 782 F HA -0.063 4.750 4.527 0.477 0.000 0.300 782 F C 2.077 177.661 175.800 -0.358 0.000 1.090 782 F CA 1.013 58.738 58.000 -0.458 0.000 1.408 782 F CB -0.557 37.948 39.000 -0.825 0.000 1.060 782 F HN 0.035 nan 8.300 nan 0.000 0.534 783 G N 0.031 108.659 108.800 -0.287 0.000 2.446 783 G HA2 -0.272 3.972 3.960 0.473 0.000 0.217 783 G HA3 -0.272 3.972 3.960 0.473 0.000 0.217 783 G C 1.593 176.349 174.900 -0.240 0.000 1.168 783 G CA 0.926 45.882 45.100 -0.239 0.000 0.771 783 G HN 0.438 nan 8.290 nan 0.000 0.551 784 E N -0.624 119.481 120.200 -0.160 0.000 2.110 784 E HA -0.176 4.458 4.350 0.473 0.000 0.193 784 E C 2.080 178.598 176.600 -0.137 0.000 0.988 784 E CA 0.957 57.290 56.400 -0.112 0.000 0.804 784 E CB -0.277 29.386 29.700 -0.061 0.000 0.745 784 E HN 0.607 nan 8.360 nan 0.000 0.458 785 Y N 1.368 121.476 120.300 -0.321 0.000 2.165 785 Y HA -0.223 4.611 4.550 0.473 0.000 0.286 785 Y C 1.963 177.677 175.900 -0.310 0.000 1.155 785 Y CA 1.413 59.318 58.100 -0.325 0.000 1.164 785 Y CB -0.085 38.097 38.460 -0.463 0.000 0.978 785 Y HN -0.039 nan 8.280 nan 0.000 0.513 786 L N -0.408 120.536 121.223 -0.466 0.000 2.240 786 L HA -0.111 4.513 4.340 0.473 0.000 0.211 786 L C 2.422 179.133 176.870 -0.265 0.000 1.106 786 L CA 0.934 55.524 54.840 -0.417 0.000 0.793 786 L CB -0.336 41.435 42.059 -0.480 0.000 0.927 786 L HN 0.158 nan 8.230 nan 0.000 0.446 787 R N -0.516 119.856 120.500 -0.213 0.000 2.193 787 R HA 0.008 4.632 4.340 0.473 0.000 0.213 787 R C 2.199 178.421 176.300 -0.131 0.000 1.055 787 R CA 0.928 56.950 56.100 -0.131 0.000 0.995 787 R CB -0.066 30.185 30.300 -0.082 0.000 0.893 787 R HN 0.300 nan 8.270 nan 0.000 0.459 788 A N 1.072 123.804 122.820 -0.147 0.000 1.859 788 A HA -0.115 4.489 4.320 0.473 0.000 0.212 788 A C 1.928 179.319 177.584 -0.323 0.000 1.238 788 A CA 0.718 52.685 52.037 -0.117 0.000 0.613 788 A CB -0.492 18.576 19.000 0.113 0.000 0.904 788 A HN 0.265 nan 8.150 nan 0.000 0.457 789 E N 0.136 120.123 120.200 -0.356 0.000 2.095 789 E HA -0.380 4.253 4.350 0.473 0.000 0.212 789 E C 1.924 178.306 176.600 -0.362 0.000 1.044 789 E CA 2.122 58.252 56.400 -0.449 0.000 0.857 789 E CB -0.316 29.209 29.700 -0.291 0.000 0.764 789 E HN 0.636 nan 8.360 nan 0.000 0.462 790 N N 0.164 118.727 118.700 -0.228 0.000 2.036 790 N HA -0.200 4.823 4.740 0.473 0.000 0.195 790 N C 1.953 177.378 175.510 -0.141 0.000 1.037 790 N CA 2.243 55.215 53.050 -0.129 0.000 0.855 790 N CB -0.316 38.130 38.487 -0.069 0.000 1.033 790 N HN 0.258 nan 8.380 nan 0.000 0.423 791 I N 0.096 120.549 120.570 -0.196 0.000 2.113 791 I HA -0.309 4.144 4.170 0.473 0.000 0.242 791 I C 1.836 177.888 176.117 -0.108 0.000 1.064 791 I CA 1.277 62.467 61.300 -0.182 0.000 1.320 791 I CB -0.431 37.365 38.000 -0.341 0.000 1.028 791 I HN 0.261 nan 8.210 nan 0.000 0.406 792 L N -0.107 120.866 121.223 -0.418 0.000 2.551 792 L HA -0.136 4.488 4.340 0.473 0.000 0.228 792 L C 2.344 178.998 176.870 -0.359 0.000 1.153 792 L CA 0.547 55.014 54.840 -0.621 0.000 0.851 792 L CB -0.456 40.639 42.059 -1.605 0.000 0.959 792 L HN 0.295 nan 8.230 nan 0.000 0.451 793 Q N 0.141 119.810 119.800 -0.219 0.000 2.364 793 Q HA -0.099 4.525 4.340 0.473 0.000 0.207 793 Q C 1.273 177.262 176.000 -0.017 0.000 0.970 793 Q CA 0.802 56.550 55.803 -0.092 0.000 0.888 793 Q CB 0.181 28.717 28.738 -0.336 0.000 0.951 793 Q HN 0.589 nan 8.270 nan 0.000 0.469 794 N N -0.719 118.027 118.700 0.076 0.000 2.270 794 N HA -0.001 5.023 4.740 0.473 0.000 0.198 794 N C -0.977 174.434 175.510 -0.166 0.000 1.117 794 N CA 0.206 53.270 53.050 0.024 0.000 0.845 794 N CB 0.603 39.186 38.487 0.160 0.000 0.980 794 N HN 0.144 nan 8.380 nan 0.000 0.486 795 Y N 1.142 121.464 120.300 0.036 0.000 2.342 795 Y HA 0.191 5.023 4.550 0.469 0.000 0.338 795 Y C 1.073 177.003 175.900 0.050 0.000 0.965 795 Y CA -1.046 57.082 58.100 0.046 0.000 1.159 795 Y CB 1.182 39.702 38.460 0.101 0.000 1.157 795 Y HN -0.186 nan 8.280 nan 0.000 0.486 796 D N 1.979 122.457 120.400 0.129 0.000 2.191 796 D HA -0.219 4.705 4.640 0.473 0.000 0.195 796 D C 1.423 177.750 176.300 0.045 0.000 1.003 796 D CA 1.803 55.866 54.000 0.105 0.000 0.867 796 D CB 0.194 41.056 40.800 0.103 0.000 0.926 796 D HN 0.727 nan 8.370 nan 0.000 0.450 797 E N -0.671 119.486 120.200 -0.072 0.000 2.110 797 E HA -0.128 4.506 4.350 0.473 0.000 0.193 797 E C 1.786 178.344 176.600 -0.070 0.000 0.988 797 E CA 0.531 56.756 56.400 -0.292 0.000 0.804 797 E CB -0.245 28.809 29.700 -1.076 0.000 0.745 797 E HN 0.283 nan 8.360 nan 0.000 0.458 798 F N 0.730 120.644 119.950 -0.059 0.000 2.187 798 F HA 0.072 4.886 4.527 0.478 0.000 0.295 798 F C 2.165 177.970 175.800 0.008 0.000 1.091 798 F CA 0.976 58.997 58.000 0.036 0.000 1.308 798 F CB -0.531 38.495 39.000 0.044 0.000 1.030 798 F HN 0.005 nan 8.300 nan 0.000 0.487 799 A N -0.329 122.618 122.820 0.211 0.000 1.917 799 A HA -0.236 4.368 4.320 0.473 0.000 0.219 799 A C 2.185 179.758 177.584 -0.018 0.000 1.182 799 A CA 2.579 54.657 52.037 0.069 0.000 0.633 799 A CB -1.451 17.602 19.000 0.088 0.000 0.819 799 A HN 0.442 nan 8.150 nan 0.000 0.448 800 T N 0.083 114.636 114.554 -0.003 0.000 2.643 800 T HA -0.139 4.495 4.350 0.473 0.000 0.264 800 T C 1.807 176.476 174.700 -0.051 0.000 1.045 800 T CA 1.368 63.458 62.100 -0.018 0.000 1.155 800 T CB -0.617 68.245 68.868 -0.010 0.000 0.863 800 T HN 0.316 nan 8.240 nan 0.000 0.420 801 L N 1.567 122.747 121.223 -0.072 0.000 1.978 801 L HA -0.236 4.388 4.340 0.473 0.000 0.235 801 L C 2.393 179.172 176.870 -0.152 0.000 1.094 801 L CA 2.036 56.815 54.840 -0.102 0.000 0.814 801 L CB -0.587 41.397 42.059 -0.126 0.000 0.911 801 L HN 0.047 nan 8.230 nan 0.000 0.442 802 K N -0.832 119.390 120.400 -0.297 0.000 2.052 802 K HA -0.299 4.305 4.320 0.473 0.000 0.215 802 K C 1.993 178.531 176.600 -0.103 0.000 1.053 802 K CA 1.897 58.043 56.287 -0.235 0.000 0.934 802 K CB -0.796 31.522 32.500 -0.303 0.000 0.717 802 K HN 0.610 nan 8.250 nan 0.000 0.450 803 A N 1.745 124.520 122.820 -0.075 0.000 1.954 803 A HA -0.208 4.395 4.320 0.473 0.000 0.222 803 A C 1.489 179.060 177.584 -0.022 0.000 1.199 803 A CA 1.266 53.283 52.037 -0.033 0.000 0.657 803 A CB -0.470 18.520 19.000 -0.017 0.000 0.823 803 A HN 0.241 nan 8.150 nan 0.000 0.463 830 A N -0.231 122.600 122.820 0.019 0.000 3.682 830 A HA -0.137 4.467 4.320 0.473 0.000 0.230 830 A C 1.053 178.652 177.584 0.025 0.000 0.840 830 A CA 2.537 54.586 52.037 0.020 0.000 1.755 830 A CB -2.294 16.717 19.000 0.018 0.000 0.877 830 A HN 2.020 nan 8.150 nan 0.000 0.708 831 E N -0.641 119.576 120.200 0.029 0.000 2.444 831 E HA 0.280 4.914 4.350 0.473 0.000 0.209 831 E C 1.655 178.281 176.600 0.044 0.000 0.806 831 E CA 0.431 56.853 56.400 0.037 0.000 1.240 831 E CB 0.040 29.764 29.700 0.040 0.000 1.238 831 E HN 0.633 nan 8.360 nan 0.000 0.591 832 L N 1.252 122.500 121.223 0.040 0.000 2.179 832 L HA -0.009 4.615 4.340 0.473 0.000 0.208 832 L C 2.326 179.220 176.870 0.039 0.000 1.096 832 L CA 0.880 55.746 54.840 0.044 0.000 0.779 832 L CB -0.161 41.917 42.059 0.032 0.000 0.922 832 L HN 0.118 nan 8.230 nan 0.000 0.443 833 Q N -0.386 119.433 119.800 0.032 0.000 2.576 833 Q HA -0.146 4.478 4.340 0.473 0.000 0.218 833 Q C 1.441 177.462 176.000 0.034 0.000 0.983 833 Q CA 1.430 57.251 55.803 0.028 0.000 0.920 833 Q CB -0.254 28.498 28.738 0.023 0.000 0.973 833 Q HN 0.651 nan 8.270 nan 0.000 0.528 834 T N -0.572 114.006 114.554 0.040 0.000 3.132 834 T HA 0.361 4.995 4.350 0.473 0.000 0.274 834 T C 0.410 175.143 174.700 0.055 0.000 1.011 834 T CA -0.236 61.891 62.100 0.043 0.000 0.899 834 T CB 0.241 69.134 68.868 0.041 0.000 1.089 834 T HN -0.023 nan 8.240 nan 0.000 0.543 835 I N 2.718 123.326 120.570 0.064 0.000 2.388 835 I HA 0.389 4.843 4.170 0.473 0.000 0.281 835 I C 0.879 177.049 176.117 0.088 0.000 1.046 835 I CA -1.180 60.171 61.300 0.084 0.000 1.187 835 I CB 1.236 39.300 38.000 0.107 0.000 1.351 835 I HN 0.205 nan 8.210 nan 0.000 0.472 836 R N 7.343 127.894 120.500 0.084 0.000 2.474 836 R HA 0.392 5.016 4.340 0.473 0.000 0.339 836 R C -0.663 175.707 176.300 0.116 0.000 1.033 836 R CA 0.270 56.421 56.100 0.085 0.000 0.997 836 R CB -0.807 29.535 30.300 0.070 0.000 0.963 836 R HN 0.612 nan 8.270 nan 0.000 0.438 837 L N 4.187 125.484 121.223 0.122 0.000 2.325 837 L HA 0.517 5.140 4.340 0.473 0.000 0.279 837 L C -1.595 175.364 176.870 0.148 0.000 1.054 837 L CA -2.144 52.797 54.840 0.169 0.000 0.804 837 L CB 2.076 44.226 42.059 0.152 0.000 1.200 837 L HN 0.576 nan 8.230 nan 0.000 0.436 838 P HA 0.218 nan 4.420 nan 0.000 0.286 838 P C -0.621 176.762 177.300 0.139 0.000 1.269 838 P CA -0.503 62.686 63.100 0.149 0.000 0.787 838 P CB 1.136 32.939 31.700 0.173 0.000 0.920 839 A N 2.808 125.684 122.820 0.093 0.000 2.610 839 A HA -0.182 4.422 4.320 0.473 0.000 0.250 839 A C 1.475 179.108 177.584 0.082 0.000 0.978 839 A CA 0.648 52.727 52.037 0.068 0.000 0.827 839 A CB -0.591 18.431 19.000 0.036 0.000 0.867 839 A HN 0.674 nan 8.150 nan 0.000 0.495 840 D N 2.206 122.653 120.400 0.079 0.000 2.116 840 D HA -0.187 4.737 4.640 0.473 0.000 0.193 840 D C 2.493 178.841 176.300 0.079 0.000 0.998 840 D CA 2.655 56.711 54.000 0.093 0.000 0.836 840 D CB 0.036 40.880 40.800 0.073 0.000 0.951 840 D HN 0.768 nan 8.370 nan 0.000 0.449 841 R N 0.258 120.785 120.500 0.045 0.000 2.097 841 R HA -0.172 4.451 4.340 0.473 0.000 0.236 841 R C 2.568 178.863 176.300 -0.007 0.000 1.135 841 R CA 3.055 59.166 56.100 0.018 0.000 0.934 841 R CB -1.951 28.349 30.300 -0.001 0.000 0.846 841 R HN 0.441 nan 8.270 nan 0.000 0.431 842 K N 1.047 121.429 120.400 -0.030 0.000 2.127 842 K HA -0.049 4.555 4.320 0.473 0.000 0.208 842 K C 2.177 178.701 176.600 -0.126 0.000 1.047 842 K CA 1.806 58.018 56.287 -0.125 0.000 0.927 842 K CB -0.735 31.706 32.500 -0.099 0.000 0.716 842 K HN 0.522 nan 8.250 nan 0.000 0.450 843 I N 1.011 121.631 120.570 0.084 0.000 2.179 843 I HA -0.263 4.191 4.170 0.473 0.000 0.242 843 I C 3.318 179.531 176.117 0.160 0.000 1.088 843 I CA 1.997 63.432 61.300 0.224 0.000 1.357 843 I CB -1.556 36.603 38.000 0.265 0.000 1.051 843 I HN 0.663 nan 8.210 nan 0.000 0.409 844 Q N 1.082 120.943 119.800 0.101 0.000 2.014 844 Q HA -0.325 4.298 4.340 0.473 0.000 0.207 844 Q C 2.146 178.170 176.000 0.039 0.000 0.993 844 Q CA 3.108 58.962 55.803 0.086 0.000 0.850 844 Q CB -2.110 26.663 28.738 0.059 0.000 0.916 844 Q HN 0.677 nan 8.270 nan 0.000 0.417 845 D N -1.004 119.372 120.400 -0.040 0.000 2.133 845 D HA -0.215 4.709 4.640 0.473 0.000 0.195 845 D C 1.825 178.068 176.300 -0.096 0.000 0.997 845 D CA 1.549 55.489 54.000 -0.100 0.000 0.840 845 D CB -0.758 39.928 40.800 -0.190 0.000 0.947 845 D HN 0.702 nan 8.370 nan 0.000 0.452 846 Y N 0.063 120.266 120.300 -0.162 0.000 2.165 846 Y HA -0.091 4.744 4.550 0.476 0.000 0.286 846 Y C 2.688 178.309 175.900 -0.464 0.000 1.155 846 Y CA 1.386 59.272 58.100 -0.356 0.000 1.164 846 Y CB -0.508 37.615 38.460 -0.562 0.000 0.978 846 Y HN 0.134 nan 8.280 nan 0.000 0.513 847 R N 0.015 120.480 120.500 -0.058 0.000 2.073 847 R HA -0.155 4.469 4.340 0.473 0.000 0.234 847 R C 2.352 178.776 176.300 0.207 0.000 1.134 847 R CA 1.917 58.097 56.100 0.133 0.000 0.952 847 R CB -0.222 30.240 30.300 0.270 0.000 0.850 847 R HN 0.450 nan 8.270 nan 0.000 0.433 848 S N 0.007 115.793 115.700 0.142 0.000 2.395 848 S HA 0.028 4.782 4.470 0.473 0.000 0.225 848 S C 2.153 176.844 174.600 0.151 0.000 1.027 848 S CA 0.627 58.910 58.200 0.138 0.000 0.965 848 S CB -0.081 63.168 63.200 0.081 0.000 0.812 848 S HN 0.424 nan 8.310 nan 0.000 0.482 849 A N 1.309 124.218 122.820 0.147 0.000 1.902 849 A HA -0.069 4.535 4.320 0.473 0.000 0.217 849 A C 1.999 179.802 177.584 0.365 0.000 1.181 849 A CA 1.594 53.744 52.037 0.189 0.000 0.623 849 A CB -1.278 17.781 19.000 0.098 0.000 0.818 849 A HN 0.570 nan 8.150 nan 0.000 0.443 850 Y N 1.077 121.551 120.300 0.291 0.000 2.081 850 Y HA -0.323 4.508 4.550 0.467 0.000 0.280 850 Y C 2.287 178.346 175.900 0.265 0.000 1.163 850 Y CA 2.425 60.674 58.100 0.248 0.000 1.135 850 Y CB -0.555 37.983 38.460 0.129 0.000 0.970 850 Y HN 0.458 nan 8.280 nan 0.000 0.498 851 N N -0.149 118.737 118.700 0.311 0.000 2.120 851 N HA -0.187 4.837 4.740 0.473 0.000 0.188 851 N C 1.376 176.929 175.510 0.072 0.000 1.024 851 N CA 1.711 54.855 53.050 0.156 0.000 0.852 851 N CB -0.301 38.291 38.487 0.176 0.000 1.003 851 N HN 0.345 nan 8.380 nan 0.000 0.424 852 D N 0.204 120.673 120.400 0.115 0.000 2.087 852 D HA -0.133 4.791 4.640 0.473 0.000 0.192 852 D C 1.842 178.225 176.300 0.140 0.000 0.993 852 D CA 1.055 55.113 54.000 0.098 0.000 0.828 852 D CB -0.367 40.487 40.800 0.089 0.000 0.968 852 D HN 0.367 nan 8.370 nan 0.000 0.448 853 I N 0.341 121.037 120.570 0.211 0.000 2.423 853 I HA -0.241 4.213 4.170 0.473 0.000 0.254 853 I C 2.481 178.691 176.117 0.155 0.000 1.151 853 I CA 0.749 62.265 61.300 0.360 0.000 1.421 853 I CB -0.100 38.177 38.000 0.462 0.000 1.079 853 I HN -0.023 nan 8.210 nan 0.000 0.431 854 R N 0.977 121.416 120.500 -0.101 0.000 2.078 854 R HA -0.160 4.464 4.340 0.473 0.000 0.224 854 R C 1.984 178.045 176.300 -0.399 0.000 1.149 854 R CA 2.038 57.786 56.100 -0.587 0.000 0.916 854 R CB -0.251 29.688 30.300 -0.602 0.000 0.821 854 R HN 0.208 nan 8.270 nan 0.000 0.434 855 D N -0.039 120.241 120.400 -0.199 0.000 2.192 855 D HA -0.271 4.653 4.640 0.473 0.000 0.189 855 D C 1.411 177.646 176.300 -0.107 0.000 1.007 855 D CA 1.538 55.458 54.000 -0.134 0.000 0.859 855 D CB -0.809 39.964 40.800 -0.044 0.000 0.936 855 D HN 0.429 nan 8.370 nan 0.000 0.447 856 W N 1.781 122.969 121.300 -0.186 0.000 2.305 856 W HA -0.254 4.691 4.660 0.475 0.000 0.308 856 W C 2.223 178.590 176.519 -0.253 0.000 1.226 856 W CA 1.776 59.019 57.345 -0.170 0.000 1.253 856 W CB -0.448 28.946 29.460 -0.110 0.000 1.146 856 W HN -0.084 nan 8.180 nan 0.000 0.507 857 Q N 0.272 119.620 119.800 -0.753 0.000 2.077 857 Q HA -0.260 4.364 4.340 0.473 0.000 0.206 857 Q C 2.613 178.208 176.000 -0.676 0.000 0.989 857 Q CA 3.234 58.429 55.803 -1.012 0.000 0.853 857 Q CB -1.314 26.860 28.738 -0.940 0.000 0.907 857 Q HN 0.553 nan 8.270 nan 0.000 0.418 858 R N 0.726 120.939 120.500 -0.478 0.000 2.113 858 R HA -0.158 4.466 4.340 0.473 0.000 0.244 858 R C 1.926 178.065 176.300 -0.267 0.000 1.142 858 R CA 2.187 58.092 56.100 -0.324 0.000 0.953 858 R CB -2.029 28.121 30.300 -0.250 0.000 0.860 858 R HN 0.501 nan 8.270 nan 0.000 0.438 874 D N 1.019 121.517 120.400 0.163 0.000 2.097 874 D HA -0.117 4.807 4.640 0.473 0.000 0.195 874 D C 1.955 178.292 176.300 0.061 0.000 0.989 874 D CA 2.419 56.475 54.000 0.093 0.000 0.827 874 D CB -0.788 40.043 40.800 0.052 0.000 0.966 874 D HN 0.358 nan 8.370 nan 0.000 0.456 875 D N 0.503 120.923 120.400 0.033 0.000 2.350 875 D HA 0.168 5.092 4.640 0.473 0.000 0.216 875 D C 1.209 177.510 176.300 0.003 0.000 0.968 875 D CA 1.010 55.014 54.000 0.006 0.000 0.894 875 D CB -0.806 39.984 40.800 -0.017 0.000 0.909 875 D HN 0.357 nan 8.370 nan 0.000 0.520 876 V N 0.163 120.101 119.914 0.040 0.000 2.637 876 V HA 0.539 4.943 4.120 0.473 0.000 0.296 876 V C 0.278 176.356 176.094 -0.027 0.000 1.046 876 V CA -0.188 62.111 62.300 -0.001 0.000 1.066 876 V CB 1.530 33.421 31.823 0.113 0.000 0.968 876 V HN 0.269 nan 8.190 nan 0.000 0.483 877 V N 5.597 125.448 119.914 -0.106 0.000 2.419 877 V HA 0.437 4.841 4.120 0.473 0.000 0.287 877 V C -0.427 175.626 176.094 -0.068 0.000 1.017 877 V CA -0.717 61.556 62.300 -0.044 0.000 0.844 877 V CB 0.725 32.514 31.823 -0.057 0.000 1.011 877 V HN 0.713 nan 8.190 nan 0.000 0.429 878 F N 1.844 121.788 119.950 -0.010 0.000 2.506 878 F HA 0.280 5.088 4.527 0.468 0.000 0.351 878 F C 1.348 177.191 175.800 0.072 0.000 1.136 878 F CA -0.292 57.727 58.000 0.031 0.000 1.298 878 F CB 0.536 39.483 39.000 -0.089 0.000 1.145 878 F HN 0.406 nan 8.300 nan 0.000 0.593 879 E N 2.415 122.821 120.200 0.344 0.000 2.614 879 E HA 0.037 4.670 4.350 0.473 0.000 0.321 879 E C 1.470 178.199 176.600 0.215 0.000 1.354 879 E CA 0.061 56.586 56.400 0.208 0.000 1.469 879 E CB -0.473 29.311 29.700 0.139 0.000 1.197 879 E HN 0.528 nan 8.360 nan 0.000 0.497 880 V N 1.417 121.436 119.914 0.174 0.000 2.220 880 V HA -0.362 4.042 4.120 0.473 0.000 0.250 880 V C 1.739 177.892 176.094 0.098 0.000 1.056 880 V CA 2.179 64.549 62.300 0.117 0.000 1.016 880 V CB -0.184 31.674 31.823 0.058 0.000 0.639 880 V HN 0.455 nan 8.190 nan 0.000 0.446 881 D N -0.166 120.279 120.400 0.075 0.000 2.156 881 D HA -0.224 4.700 4.640 0.473 0.000 0.190 881 D C 2.148 178.489 176.300 0.069 0.000 0.998 881 D CA 1.984 56.020 54.000 0.060 0.000 0.842 881 D CB -0.494 40.334 40.800 0.048 0.000 0.974 881 D HN 0.342 nan 8.370 nan 0.000 0.447 882 L N 0.765 122.027 121.223 0.066 0.000 2.011 882 L HA -0.255 4.369 4.340 0.473 0.000 0.225 882 L C 2.859 179.777 176.870 0.081 0.000 1.084 882 L CA 1.066 55.942 54.840 0.060 0.000 0.791 882 L CB -0.701 41.371 42.059 0.021 0.000 0.898 882 L HN 0.119 nan 8.230 nan 0.000 0.440 883 L N -0.126 121.168 121.223 0.119 0.000 1.991 883 L HA -0.329 4.295 4.340 0.473 0.000 0.221 883 L C 2.547 179.490 176.870 0.120 0.000 1.079 883 L CA 1.815 56.752 54.840 0.162 0.000 0.778 883 L CB -0.398 41.800 42.059 0.232 0.000 0.893 883 L HN 0.321 nan 8.230 nan 0.000 0.437 884 K N -0.542 119.914 120.400 0.092 0.000 2.611 884 K HA -0.073 4.531 4.320 0.473 0.000 0.193 884 K C 1.525 178.157 176.600 0.053 0.000 1.026 884 K CA 0.973 57.299 56.287 0.065 0.000 1.063 884 K CB 0.117 32.645 32.500 0.046 0.000 0.839 884 K HN 0.458 nan 8.250 nan 0.000 0.505 885 S N -1.836 113.900 115.700 0.060 0.000 2.554 885 S HA 0.101 4.854 4.470 0.473 0.000 0.227 885 S C 0.674 175.307 174.600 0.054 0.000 1.050 885 S CA -0.546 57.681 58.200 0.044 0.000 0.927 885 S CB 0.384 63.605 63.200 0.034 0.000 0.859 885 S HN 0.174 nan 8.310 nan 0.000 0.494 886 Q N 0.000 119.846 119.800 0.077 0.000 2.315 886 Q HA 0.000 4.624 4.340 0.473 0.000 0.214 886 Q CA 0.000 55.858 55.803 0.093 0.000 1.022 886 Q CB 0.000 28.811 28.738 0.121 0.000 1.108 886 Q HN 0.000 nan 8.270 nan 0.000 0.481