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 3ocf_1_C DATA FIRST_RESID 2 DATA SEQUENCE TRREQDSLGE RDIPMDAYFG IQTLRAVENF SLSDVALNHI PALVRALAMV DATA SEQUENCE KKAAATANYK LRQLPEPKYA AIVAACDDII DGLLMEQFVV DVFQGGAGTS DATA SEQUENCE SNMNANEVIA NRALEHLGRP RGDYQTIHPN DDVNMSQSTN DVYPTAVRLA DATA SEQUENCE LLLSQNQVQT ALHRLIAAFE AKGREFATVI KIGRTQLQDA VPITLGQEFE DATA SEQUENCE AFAATLREDT ARLEEVAALF REVNLGGTXX XXXXXXXXAY AEQAIVELSQ DATA SEQUENCE ISGIELKATG NLVEASWDTG AFVTFSGILR RIAVKLSKIA NDLRLLSSGP DATA SEQUENCE RSGLGEIRLP AVQPGSSIMP GKVNPVIPES VNQVCYQVIG NDLTVTMAAE DATA SEQUENCE SGQLQLNAFE PLIVYNILSS MRLLGRAMTN LAERCVDGIE ANVERCRAGA DATA SEQUENCE EESISLATAL VPVVGYARAA EIAKQALASG QTVMEVAISK GLDASALTIM DATA SEQUENCE LDPL 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.666 174.700 -0.056 0.000 1.109 2 T CA 0.000 62.070 62.100 -0.050 0.000 1.349 2 T CB 0.000 68.849 68.868 -0.032 0.000 0.612 3 R N 1.291 121.749 120.500 -0.070 0.000 2.536 3 R HA 0.778 5.087 4.340 -0.052 0.000 0.279 3 R C -0.221 176.050 176.300 -0.048 0.000 1.001 3 R CA -1.210 54.847 56.100 -0.071 0.000 1.027 3 R CB 1.503 31.740 30.300 -0.105 0.000 1.096 3 R HN 0.754 nan 8.270 nan 0.000 0.502 4 R N 1.545 122.022 120.500 -0.039 0.000 2.294 4 R HA 0.210 4.519 4.340 -0.052 0.000 0.319 4 R C -0.885 175.412 176.300 -0.005 0.000 0.984 4 R CA -0.315 55.775 56.100 -0.016 0.000 0.861 4 R CB 1.212 31.504 30.300 -0.012 0.000 1.104 4 R HN 0.774 nan 8.270 nan 0.000 0.451 5 E N 1.725 121.940 120.200 0.025 0.000 2.299 5 E HA 0.403 4.722 4.350 -0.052 0.000 0.260 5 E C -0.993 175.648 176.600 0.068 0.000 0.944 5 E CA -0.702 55.739 56.400 0.067 0.000 0.815 5 E CB 1.993 31.767 29.700 0.122 0.000 1.252 5 E HN 0.640 nan 8.360 nan 0.000 0.418 6 Q N 1.414 121.270 119.800 0.092 0.000 2.331 6 Q HA 0.491 4.799 4.340 -0.052 0.000 0.272 6 Q C -1.342 174.701 176.000 0.071 0.000 1.062 6 Q CA -0.907 54.939 55.803 0.070 0.000 0.806 6 Q CB 1.638 30.416 28.738 0.066 0.000 1.312 6 Q HN 0.608 nan 8.270 nan 0.000 0.431 7 D N -1.314 119.114 120.400 0.047 0.000 2.801 7 D HA 0.444 5.052 4.640 -0.052 0.000 0.277 7 D C 1.206 177.527 176.300 0.035 0.000 1.125 7 D CA 0.460 54.483 54.000 0.038 0.000 1.102 7 D CB 0.420 41.231 40.800 0.018 0.000 1.400 7 D HN 0.635 nan 8.370 nan 0.000 0.601 8 S N -1.029 114.689 115.700 0.030 0.000 2.442 8 S HA -0.091 4.347 4.470 -0.052 0.000 0.236 8 S C 1.752 176.363 174.600 0.018 0.000 1.007 8 S CA 0.555 58.771 58.200 0.026 0.000 0.965 8 S CB -0.651 62.563 63.200 0.023 0.000 0.773 8 S HN 0.478 nan 8.310 nan 0.000 0.504 9 L N 0.658 121.890 121.223 0.015 0.000 2.375 9 L HA 0.359 4.667 4.340 -0.052 0.000 0.215 9 L C 1.548 178.424 176.870 0.010 0.000 1.108 9 L CA 0.511 55.356 54.840 0.009 0.000 0.830 9 L CB -0.367 41.694 42.059 0.003 0.000 0.959 9 L HN 0.678 nan 8.230 nan 0.000 0.457 10 G N -0.461 108.348 108.800 0.015 0.000 2.291 10 G HA2 -0.028 3.900 3.960 -0.052 0.000 0.249 10 G HA3 -0.028 3.900 3.960 -0.052 0.000 0.249 10 G C -1.397 173.515 174.900 0.020 0.000 1.340 10 G CA -0.791 44.319 45.100 0.016 0.000 1.017 10 G HN 0.006 nan 8.290 nan 0.000 0.470 11 E N 0.213 120.423 120.200 0.017 0.000 2.207 11 E HA 0.743 5.062 4.350 -0.052 0.000 0.270 11 E C -0.382 176.228 176.600 0.016 0.000 0.927 11 E CA -0.848 55.564 56.400 0.020 0.000 0.799 11 E CB 1.727 31.436 29.700 0.016 0.000 1.172 11 E HN 0.378 nan 8.360 nan 0.000 0.404 12 R N 1.271 121.784 120.500 0.022 0.000 2.764 12 R HA 0.362 4.670 4.340 -0.052 0.000 0.270 12 R C -1.407 174.904 176.300 0.020 0.000 1.014 12 R CA -0.868 55.245 56.100 0.020 0.000 0.904 12 R CB 1.260 31.576 30.300 0.026 0.000 1.236 12 R HN 0.502 nan 8.270 nan 0.000 0.466 13 D N 1.771 122.181 120.400 0.016 0.000 2.280 13 D HA 0.369 4.977 4.640 -0.052 0.000 0.236 13 D C 0.048 176.358 176.300 0.017 0.000 1.082 13 D CA -0.226 53.779 54.000 0.008 0.000 0.834 13 D CB 1.358 42.159 40.800 0.000 0.000 1.100 13 D HN 0.160 nan 8.370 nan 0.000 0.486 14 I N 3.019 123.590 120.570 0.002 0.000 2.404 14 I HA 0.267 4.406 4.170 -0.052 0.000 0.293 14 I C -2.280 173.799 176.117 -0.063 0.000 0.992 14 I CA -2.879 58.417 61.300 -0.007 0.000 1.149 14 I CB 1.211 39.199 38.000 -0.020 0.000 1.315 14 I HN -0.106 nan 8.210 nan 0.000 0.446 15 P HA 0.012 nan 4.420 nan 0.000 0.261 15 P C 1.136 178.333 177.300 -0.173 0.000 1.183 15 P CA 0.341 63.377 63.100 -0.108 0.000 0.761 15 P CB 0.454 32.095 31.700 -0.098 0.000 0.785 16 M N 2.649 122.164 119.600 -0.142 0.000 2.202 16 M HA -0.158 4.291 4.480 -0.052 0.000 0.262 16 M C 1.805 177.978 176.300 -0.213 0.000 1.063 16 M CA 2.871 58.068 55.300 -0.171 0.000 1.097 16 M CB -2.252 30.269 32.600 -0.132 0.000 1.382 16 M HN 0.462 nan 8.290 nan 0.000 0.413 17 D N 0.487 120.783 120.400 -0.174 0.000 2.263 17 D HA 0.437 5.045 4.640 -0.052 0.000 0.208 17 D C 1.133 177.300 176.300 -0.223 0.000 0.971 17 D CA 1.080 54.983 54.000 -0.162 0.000 0.867 17 D CB -0.626 40.123 40.800 -0.085 0.000 0.929 17 D HN 1.196 nan 8.370 nan 0.000 0.492 18 A N -1.374 121.238 122.820 -0.347 0.000 2.363 18 A HA 0.571 4.860 4.320 -0.052 0.000 0.270 18 A C 0.331 177.616 177.584 -0.498 0.000 1.121 18 A CA -0.382 51.312 52.037 -0.572 0.000 0.800 18 A CB 0.407 18.681 19.000 -1.210 0.000 1.052 18 A HN 0.421 nan 8.150 nan 0.000 0.493 19 Y N 1.651 121.725 120.300 -0.376 0.000 2.490 19 Y HA 0.083 4.601 4.550 -0.054 0.000 0.285 19 Y C 0.845 176.653 175.900 -0.153 0.000 1.117 19 Y CA 0.496 58.480 58.100 -0.194 0.000 1.262 19 Y CB -0.137 38.270 38.460 -0.089 0.000 1.043 19 Y HN 0.757 nan 8.280 nan 0.000 0.553 20 F N -0.451 119.532 119.950 0.055 0.000 2.399 20 F HA 0.666 5.160 4.527 -0.054 0.000 0.313 20 F C 0.689 176.498 175.800 0.016 0.000 1.202 20 F CA -1.060 56.927 58.000 -0.023 0.000 1.192 20 F CB -0.021 38.930 39.000 -0.081 0.000 1.256 20 F HN -0.128 nan 8.300 nan 0.000 0.558 21 G N 0.337 109.315 108.800 0.297 0.000 3.251 21 G HA2 0.382 4.311 3.960 -0.052 0.000 0.248 21 G HA3 0.382 4.311 3.960 -0.052 0.000 0.248 21 G C 0.205 175.233 174.900 0.213 0.000 1.320 21 G CA -0.546 44.678 45.100 0.206 0.000 0.982 21 G HN 0.999 nan 8.290 nan 0.000 0.575 22 I N -0.169 120.480 120.570 0.131 0.000 2.151 22 I HA -0.259 3.879 4.170 -0.052 0.000 0.243 22 I C 2.792 178.943 176.117 0.057 0.000 1.080 22 I CA 1.900 63.255 61.300 0.092 0.000 1.339 22 I CB -0.039 38.001 38.000 0.066 0.000 1.039 22 I HN 0.571 nan 8.210 nan 0.000 0.409 23 Q N -0.327 119.489 119.800 0.028 0.000 2.084 23 Q HA -0.197 4.112 4.340 -0.052 0.000 0.202 23 Q C 2.088 178.091 176.000 0.004 0.000 0.978 23 Q CA 2.280 58.087 55.803 0.007 0.000 0.844 23 Q CB -0.400 28.332 28.738 -0.009 0.000 0.898 23 Q HN 0.561 nan 8.270 nan 0.000 0.426 24 T N 1.863 116.424 114.554 0.012 0.000 2.708 24 T HA -0.147 4.172 4.350 -0.052 0.000 0.266 24 T C 1.813 176.432 174.700 -0.135 0.000 1.037 24 T CA 1.011 63.070 62.100 -0.067 0.000 1.146 24 T CB -0.325 68.483 68.868 -0.099 0.000 0.865 24 T HN 0.108 nan 8.240 nan 0.000 0.435 25 L N 1.284 122.489 121.223 -0.030 0.000 2.043 25 L HA -0.081 4.227 4.340 -0.052 0.000 0.212 25 L C 2.465 179.295 176.870 -0.066 0.000 1.075 25 L CA 1.708 56.532 54.840 -0.026 0.000 0.752 25 L CB -0.469 41.657 42.059 0.113 0.000 0.891 25 L HN 0.102 nan 8.230 nan 0.000 0.432 26 R N -0.928 119.539 120.500 -0.056 0.000 2.073 26 R HA -0.107 4.201 4.340 -0.052 0.000 0.234 26 R C 2.258 178.450 176.300 -0.181 0.000 1.134 26 R CA 1.305 57.346 56.100 -0.098 0.000 0.952 26 R CB -0.637 29.619 30.300 -0.072 0.000 0.850 26 R HN 0.525 nan 8.270 nan 0.000 0.433 27 A N 0.678 123.419 122.820 -0.131 0.000 1.902 27 A HA -0.126 4.163 4.320 -0.052 0.000 0.217 27 A C 2.343 179.839 177.584 -0.147 0.000 1.181 27 A CA 1.437 53.401 52.037 -0.122 0.000 0.623 27 A CB -0.579 18.500 19.000 0.130 0.000 0.818 27 A HN 0.125 nan 8.150 nan 0.000 0.443 28 V N 1.253 121.091 119.914 -0.127 0.000 2.324 28 V HA -0.331 3.758 4.120 -0.052 0.000 0.250 28 V C 2.526 178.548 176.094 -0.121 0.000 1.060 28 V CA 2.471 64.702 62.300 -0.114 0.000 1.042 28 V CB -1.051 30.676 31.823 -0.160 0.000 0.650 28 V HN 0.901 nan 8.190 nan 0.000 0.450 29 E N -0.194 119.915 120.200 -0.153 0.000 2.216 29 E HA -0.147 4.172 4.350 -0.052 0.000 0.192 29 E C 1.795 178.256 176.600 -0.232 0.000 0.988 29 E CA 0.997 57.308 56.400 -0.148 0.000 0.834 29 E CB -0.368 29.264 29.700 -0.114 0.000 0.772 29 E HN 0.537 nan 8.360 nan 0.000 0.479 30 N N 0.506 118.944 118.700 -0.436 0.000 2.188 30 N HA -0.063 4.646 4.740 -0.052 0.000 0.184 30 N C 0.345 175.465 175.510 -0.651 0.000 1.018 30 N CA 0.987 53.593 53.050 -0.740 0.000 0.858 30 N CB -0.002 37.664 38.487 -1.369 0.000 0.989 30 N HN 0.235 nan 8.380 nan 0.000 0.426 31 F N -0.464 119.478 119.950 -0.014 0.000 2.805 31 F HA 0.340 4.868 4.527 0.002 0.000 0.317 31 F C 0.650 176.445 175.800 -0.009 0.000 1.146 31 F CA -0.980 57.019 58.000 -0.001 0.000 1.265 31 F CB -0.311 38.697 39.000 0.013 0.000 0.992 31 F HN -0.325 nan 8.300 nan 0.000 0.511 32 S N 1.592 117.328 115.700 0.060 0.000 2.560 32 S HA 0.295 4.734 4.470 -0.052 0.000 0.323 32 S C 0.933 175.541 174.600 0.012 0.000 1.191 32 S CA 0.302 58.517 58.200 0.025 0.000 1.231 32 S CB -0.237 62.953 63.200 -0.016 0.000 1.224 32 S HN 0.475 nan 8.310 nan 0.000 0.545 33 L N 3.480 124.705 121.223 0.003 0.000 2.815 33 L HA 0.181 4.490 4.340 -0.052 0.000 0.241 33 L C 1.765 178.544 176.870 -0.151 0.000 1.047 33 L CA 0.287 55.084 54.840 -0.072 0.000 0.939 33 L CB 0.042 42.055 42.059 -0.076 0.000 1.490 33 L HN 0.660 nan 8.230 nan 0.000 0.510 34 S N -3.568 112.065 115.700 -0.111 0.000 2.649 34 S HA 0.112 4.550 4.470 -0.052 0.000 0.246 34 S C 0.323 174.890 174.600 -0.055 0.000 1.057 34 S CA 0.010 58.134 58.200 -0.127 0.000 1.051 34 S CB 0.552 63.680 63.200 -0.120 0.000 1.018 34 S HN 0.254 nan 8.310 nan 0.000 0.569 35 D N 0.704 121.084 120.400 -0.033 0.000 3.012 35 D HA -0.107 4.501 4.640 -0.052 0.000 0.222 35 D C -0.715 175.562 176.300 -0.039 0.000 1.167 35 D CA 0.816 54.799 54.000 -0.029 0.000 0.854 35 D CB -1.742 39.038 40.800 -0.033 0.000 1.107 35 D HN 0.457 nan 8.370 nan 0.000 0.421 36 V N 0.180 120.077 119.914 -0.028 0.000 2.334 36 V HA 0.695 4.784 4.120 -0.052 0.000 0.281 36 V C 0.701 176.786 176.094 -0.015 0.000 1.016 36 V CA -0.401 61.868 62.300 -0.050 0.000 0.832 36 V CB 1.649 33.437 31.823 -0.058 0.000 0.999 36 V HN 0.303 nan 8.190 nan 0.000 0.439 37 A N 3.665 126.500 122.820 0.025 0.000 2.269 37 A HA 0.706 4.994 4.320 -0.052 0.000 0.327 37 A C 0.857 178.498 177.584 0.094 0.000 1.112 37 A CA -0.564 51.504 52.037 0.052 0.000 0.865 37 A CB 0.737 19.773 19.000 0.060 0.000 1.227 37 A HN 0.735 nan 8.150 nan 0.000 0.498 38 L N 0.818 122.102 121.223 0.101 0.000 2.187 38 L HA -0.192 4.117 4.340 -0.052 0.000 0.213 38 L C 1.844 178.785 176.870 0.118 0.000 1.100 38 L CA 2.766 57.676 54.840 0.115 0.000 0.765 38 L CB -1.246 40.914 42.059 0.168 0.000 0.904 38 L HN 0.908 nan 8.230 nan 0.000 0.437 39 N N -2.295 116.496 118.700 0.152 0.000 2.453 39 N HA -0.239 4.470 4.740 -0.052 0.000 0.183 39 N C 1.901 177.491 175.510 0.134 0.000 1.041 39 N CA 1.491 54.618 53.050 0.128 0.000 0.900 39 N CB -1.045 37.535 38.487 0.156 0.000 0.961 39 N HN 0.595 nan 8.380 nan 0.000 0.443 40 H N 0.453 119.561 119.070 0.063 0.000 2.546 40 H HA 0.076 4.601 4.556 -0.052 0.000 0.277 40 H C 0.100 175.478 175.328 0.083 0.000 1.004 40 H CA 0.559 56.652 56.048 0.076 0.000 1.231 40 H CB 0.251 30.074 29.762 0.102 0.000 1.382 40 H HN 0.426 nan 8.280 nan 0.000 0.580 41 I N -1.194 119.404 120.570 0.047 0.000 2.859 41 I HA 0.299 4.438 4.170 -0.052 0.000 0.296 41 I C -2.366 173.720 176.117 -0.052 0.000 1.300 41 I CA -2.097 59.192 61.300 -0.019 0.000 1.020 41 I CB 1.367 39.403 38.000 0.060 0.000 1.823 41 I HN -0.185 nan 8.210 nan 0.000 0.599 42 P HA -0.115 nan 4.420 nan 0.000 0.223 42 P C 1.620 178.845 177.300 -0.125 0.000 1.151 42 P CA 1.370 64.412 63.100 -0.097 0.000 0.787 42 P CB 0.449 32.105 31.700 -0.072 0.000 0.788 43 A N 0.235 122.989 122.820 -0.109 0.000 1.978 43 A HA -0.177 4.112 4.320 -0.052 0.000 0.220 43 A C 2.164 179.664 177.584 -0.140 0.000 1.170 43 A CA 1.459 53.427 52.037 -0.116 0.000 0.636 43 A CB -1.534 17.404 19.000 -0.104 0.000 0.810 43 A HN 0.195 nan 8.150 nan 0.000 0.448 44 L N -0.305 120.832 121.223 -0.142 0.000 2.109 44 L HA -0.046 4.263 4.340 -0.052 0.000 0.207 44 L C 2.351 179.113 176.870 -0.181 0.000 1.086 44 L CA 1.620 56.365 54.840 -0.158 0.000 0.760 44 L CB -0.464 41.517 42.059 -0.129 0.000 0.910 44 L HN 0.143 nan 8.230 nan 0.000 0.437 45 V N 0.141 119.910 119.914 -0.242 0.000 2.295 45 V HA -0.293 3.796 4.120 -0.052 0.000 0.246 45 V C 2.693 178.577 176.094 -0.350 0.000 1.049 45 V CA 2.217 64.247 62.300 -0.450 0.000 1.024 45 V CB -0.704 30.706 31.823 -0.689 0.000 0.648 45 V HN 0.457 nan 8.190 nan 0.000 0.447 46 R N 0.391 120.745 120.500 -0.243 0.000 2.096 46 R HA -0.080 4.228 4.340 -0.052 0.000 0.235 46 R C 2.446 178.670 176.300 -0.127 0.000 1.127 46 R CA 1.394 57.395 56.100 -0.166 0.000 0.968 46 R CB -0.672 29.554 30.300 -0.124 0.000 0.861 46 R HN 0.525 nan 8.270 nan 0.000 0.440 47 A N 1.477 124.219 122.820 -0.129 0.000 1.908 47 A HA -0.138 4.151 4.320 -0.052 0.000 0.218 47 A C 2.199 179.732 177.584 -0.085 0.000 1.181 47 A CA 1.185 53.157 52.037 -0.107 0.000 0.627 47 A CB -0.545 18.376 19.000 -0.130 0.000 0.818 47 A HN 0.184 nan 8.150 nan 0.000 0.445 48 L N -0.870 120.297 121.223 -0.092 0.000 2.046 48 L HA -0.212 4.097 4.340 -0.052 0.000 0.208 48 L C 3.099 179.969 176.870 -0.001 0.000 1.077 48 L CA 1.108 55.929 54.840 -0.031 0.000 0.747 48 L CB -0.468 41.590 42.059 -0.002 0.000 0.896 48 L HN 0.449 nan 8.230 nan 0.000 0.432 49 A N -0.433 122.367 122.820 -0.033 0.000 1.933 49 A HA -0.219 4.069 4.320 -0.052 0.000 0.218 49 A C 2.258 179.842 177.584 -0.000 0.000 1.175 49 A CA 1.693 53.730 52.037 0.000 0.000 0.628 49 A CB -0.423 18.561 19.000 -0.025 0.000 0.814 49 A HN 0.372 nan 8.150 nan 0.000 0.444 50 M N -1.004 118.584 119.600 -0.020 0.000 2.156 50 M HA -0.088 4.361 4.480 -0.052 0.000 0.264 50 M C 2.047 178.348 176.300 0.002 0.000 1.067 50 M CA 1.132 56.423 55.300 -0.014 0.000 1.131 50 M CB -0.375 32.207 32.600 -0.030 0.000 1.368 50 M HN 0.209 nan 8.290 nan 0.000 0.416 51 V N 0.548 120.464 119.914 0.004 0.000 2.407 51 V HA -0.241 3.848 4.120 -0.052 0.000 0.248 51 V C 2.433 178.559 176.094 0.053 0.000 1.055 51 V CA 1.510 63.824 62.300 0.023 0.000 1.049 51 V CB -0.668 31.169 31.823 0.024 0.000 0.662 51 V HN 0.365 nan 8.190 nan 0.000 0.455 52 K N 0.203 120.638 120.400 0.059 0.000 2.097 52 K HA -0.158 4.130 4.320 -0.052 0.000 0.205 52 K C 2.095 178.743 176.600 0.079 0.000 1.050 52 K CA 1.283 57.618 56.287 0.080 0.000 0.938 52 K CB -0.308 32.241 32.500 0.082 0.000 0.718 52 K HN 0.451 nan 8.250 nan 0.000 0.442 53 K N 0.718 121.150 120.400 0.053 0.000 2.001 53 K HA -0.066 4.223 4.320 -0.052 0.000 0.208 53 K C 2.105 178.750 176.600 0.074 0.000 1.048 53 K CA 1.169 57.486 56.287 0.049 0.000 0.932 53 K CB -0.126 32.385 32.500 0.018 0.000 0.715 53 K HN 0.022 nan 8.250 nan 0.000 0.437 54 A N 1.278 124.128 122.820 0.050 0.000 1.896 54 A HA -0.261 4.028 4.320 -0.052 0.000 0.220 54 A C 2.356 179.970 177.584 0.051 0.000 1.206 54 A CA 2.516 54.573 52.037 0.033 0.000 0.647 54 A CB -1.104 17.896 19.000 -0.000 0.000 0.828 54 A HN 0.543 nan 8.150 nan 0.000 0.455 55 A N -0.716 122.164 122.820 0.100 0.000 1.930 55 A HA 0.233 4.522 4.320 -0.052 0.000 0.217 55 A C 2.512 180.245 177.584 0.247 0.000 1.175 55 A CA 2.003 54.161 52.037 0.202 0.000 0.627 55 A CB -0.988 18.169 19.000 0.262 0.000 0.815 55 A HN 1.150 nan 8.150 nan 0.000 0.443 56 A N -0.701 122.244 122.820 0.209 0.000 1.877 56 A HA -0.100 4.189 4.320 -0.052 0.000 0.216 56 A C 2.315 180.105 177.584 0.343 0.000 1.186 56 A CA 2.350 54.543 52.037 0.261 0.000 0.620 56 A CB -1.333 17.794 19.000 0.212 0.000 0.822 56 A HN 0.429 nan 8.150 nan 0.000 0.443 57 T N 0.427 115.163 114.554 0.304 0.000 2.708 57 T HA -0.042 4.277 4.350 -0.052 0.000 0.266 57 T C 2.221 177.006 174.700 0.142 0.000 1.037 57 T CA 1.690 63.948 62.100 0.262 0.000 1.146 57 T CB -0.507 68.488 68.868 0.213 0.000 0.865 57 T HN 0.604 nan 8.240 nan 0.000 0.435 58 A N 2.478 125.351 122.820 0.088 0.000 1.902 58 A HA -0.158 4.131 4.320 -0.052 0.000 0.217 58 A C 2.257 179.931 177.584 0.151 0.000 1.181 58 A CA 1.486 53.526 52.037 0.004 0.000 0.623 58 A CB -0.623 18.191 19.000 -0.309 0.000 0.818 58 A HN 0.390 nan 8.150 nan 0.000 0.443 59 N N -1.377 117.492 118.700 0.283 0.000 2.166 59 N HA -0.168 4.541 4.740 -0.052 0.000 0.186 59 N C 1.563 177.160 175.510 0.144 0.000 1.019 59 N CA 1.722 54.918 53.050 0.243 0.000 0.856 59 N CB -0.603 38.026 38.487 0.236 0.000 0.993 59 N HN 0.702 nan 8.380 nan 0.000 0.426 60 Y N 1.928 122.214 120.300 -0.024 0.000 2.133 60 Y HA -0.159 4.360 4.550 -0.052 0.000 0.287 60 Y C 2.515 178.309 175.900 -0.177 0.000 1.134 60 Y CA 2.612 60.601 58.100 -0.185 0.000 1.133 60 Y CB -0.700 37.388 38.460 -0.619 0.000 0.987 60 Y HN 0.060 nan 8.280 nan 0.000 0.502 61 K N 0.874 121.084 120.400 -0.316 0.000 2.209 61 K HA 0.014 4.302 4.320 -0.052 0.000 0.204 61 K C 1.724 178.189 176.600 -0.224 0.000 1.048 61 K CA 1.863 57.941 56.287 -0.349 0.000 0.940 61 K CB -1.299 31.106 32.500 -0.158 0.000 0.729 61 K HN 0.582 nan 8.250 nan 0.000 0.451 62 L N -0.662 120.494 121.223 -0.112 0.000 2.685 62 L HA 0.197 4.505 4.340 -0.052 0.000 0.233 62 L C 2.019 178.854 176.870 -0.058 0.000 1.173 62 L CA 0.432 55.243 54.840 -0.049 0.000 0.961 62 L CB -0.155 41.931 42.059 0.044 0.000 1.217 62 L HN 0.554 nan 8.230 nan 0.000 0.478 63 R N -1.526 118.900 120.500 -0.124 0.000 3.977 63 R HA -0.353 3.956 4.340 -0.052 0.000 0.428 63 R C 1.492 177.775 176.300 -0.029 0.000 1.079 63 R CA 2.106 58.145 56.100 -0.101 0.000 1.269 63 R CB -2.806 27.444 30.300 -0.083 0.000 1.856 63 R HN 0.512 nan 8.270 nan 0.000 0.551 64 Q N -0.707 119.094 119.800 0.001 0.000 2.046 64 Q HA 0.542 4.851 4.340 -0.052 0.000 0.200 64 Q C 1.655 177.685 176.000 0.050 0.000 0.975 64 Q CA 1.578 57.395 55.803 0.025 0.000 0.836 64 Q CB 0.157 28.914 28.738 0.032 0.000 0.896 64 Q HN 1.583 nan 8.270 nan 0.000 0.428 65 L N 1.024 122.302 121.223 0.091 0.000 2.295 65 L HA 0.560 4.868 4.340 -0.052 0.000 0.285 65 L C -2.659 174.316 176.870 0.174 0.000 1.035 65 L CA -2.366 52.556 54.840 0.137 0.000 0.806 65 L CB 2.085 44.258 42.059 0.189 0.000 1.214 65 L HN -0.010 nan 8.230 nan 0.000 0.426 66 P HA 0.101 nan 4.420 nan 0.000 0.272 66 P C 0.011 177.458 177.300 0.244 0.000 1.230 66 P CA -0.157 63.045 63.100 0.169 0.000 0.788 66 P CB 0.598 32.367 31.700 0.115 0.000 0.949 67 E N 2.895 123.252 120.200 0.262 0.000 2.152 67 E HA -0.105 4.214 4.350 -0.052 0.000 0.192 67 E C -0.753 175.950 176.600 0.172 0.000 0.983 67 E CA 0.998 57.574 56.400 0.293 0.000 0.818 67 E CB -0.945 28.947 29.700 0.319 0.000 0.758 67 E HN 0.387 nan 8.360 nan 0.000 0.467 68 P HA -0.073 nan 4.420 nan 0.000 0.225 68 P C 1.105 178.435 177.300 0.050 0.000 1.156 68 P CA 1.426 64.566 63.100 0.066 0.000 0.787 68 P CB 0.046 31.783 31.700 0.061 0.000 0.802 69 K N 0.430 120.885 120.400 0.092 0.000 1.995 69 K HA -0.171 4.118 4.320 -0.052 0.000 0.207 69 K C 2.181 178.820 176.600 0.066 0.000 1.041 69 K CA 1.492 57.830 56.287 0.086 0.000 0.942 69 K CB -2.146 30.422 32.500 0.114 0.000 0.731 69 K HN 0.129 nan 8.250 nan 0.000 0.439 70 Y N 1.353 121.649 120.300 -0.007 0.000 2.170 70 Y HA -0.364 4.155 4.550 -0.052 0.000 0.274 70 Y C 2.368 178.185 175.900 -0.139 0.000 1.253 70 Y CA 2.700 60.753 58.100 -0.078 0.000 1.133 70 Y CB -0.690 37.646 38.460 -0.205 0.000 0.941 70 Y HN 0.289 nan 8.280 nan 0.000 0.518 71 A N 0.084 122.603 122.820 -0.503 0.000 1.943 71 A HA 0.252 4.541 4.320 -0.052 0.000 0.213 71 A C 2.377 179.724 177.584 -0.395 0.000 1.181 71 A CA 1.021 52.660 52.037 -0.664 0.000 0.653 71 A CB -1.266 17.506 19.000 -0.381 0.000 0.833 71 A HN 0.687 nan 8.150 nan 0.000 0.451 72 A N -0.196 122.493 122.820 -0.218 0.000 2.015 72 A HA 0.011 4.300 4.320 -0.052 0.000 0.219 72 A C 2.025 179.524 177.584 -0.140 0.000 1.163 72 A CA 1.408 53.357 52.037 -0.146 0.000 0.646 72 A CB -0.459 18.527 19.000 -0.023 0.000 0.806 72 A HN 0.477 nan 8.150 nan 0.000 0.448 73 I N -1.308 119.186 120.570 -0.126 0.000 2.400 73 I HA -0.114 4.025 4.170 -0.052 0.000 0.248 73 I C 2.303 178.354 176.117 -0.110 0.000 1.109 73 I CA 0.471 61.734 61.300 -0.061 0.000 1.425 73 I CB -0.077 37.923 38.000 0.000 0.000 1.094 73 I HN 0.125 nan 8.210 nan 0.000 0.425 74 V N 1.229 121.009 119.914 -0.223 0.000 2.287 74 V HA -0.362 3.726 4.120 -0.052 0.000 0.248 74 V C 2.747 178.709 176.094 -0.218 0.000 1.053 74 V CA 2.192 64.348 62.300 -0.239 0.000 1.027 74 V CB -0.979 30.585 31.823 -0.430 0.000 0.646 74 V HN 0.507 nan 8.190 nan 0.000 0.447 75 A N -0.039 122.595 122.820 -0.310 0.000 1.873 75 A HA -0.266 4.022 4.320 -0.052 0.000 0.218 75 A C 2.454 179.904 177.584 -0.223 0.000 1.193 75 A CA 2.740 54.548 52.037 -0.383 0.000 0.629 75 A CB -1.088 17.434 19.000 -0.795 0.000 0.826 75 A HN 0.652 nan 8.150 nan 0.000 0.447 76 A N -1.090 121.653 122.820 -0.128 0.000 1.908 76 A HA -0.221 4.068 4.320 -0.052 0.000 0.218 76 A C 2.354 179.958 177.584 0.032 0.000 1.181 76 A CA 1.914 53.976 52.037 0.041 0.000 0.627 76 A CB -1.383 17.668 19.000 0.085 0.000 0.818 76 A HN 0.669 nan 8.150 nan 0.000 0.445 77 C N -0.532 118.769 119.300 0.001 0.000 2.446 77 C HA -0.083 4.346 4.460 -0.052 0.000 0.277 77 C C 2.373 177.358 174.990 -0.009 0.000 1.275 77 C CA 0.869 59.892 59.018 0.009 0.000 1.727 77 C CB -1.221 26.519 27.740 0.000 0.000 2.010 77 C HN 0.600 nan 8.230 nan 0.000 0.486 78 D N 1.154 121.534 120.400 -0.033 0.000 2.133 78 D HA -0.133 4.476 4.640 -0.052 0.000 0.195 78 D C 1.572 177.867 176.300 -0.008 0.000 0.997 78 D CA 1.490 55.471 54.000 -0.030 0.000 0.840 78 D CB -0.568 40.201 40.800 -0.052 0.000 0.947 78 D HN 0.494 nan 8.370 nan 0.000 0.452 79 D N 0.277 120.686 120.400 0.015 0.000 2.104 79 D HA -0.117 4.492 4.640 -0.052 0.000 0.194 79 D C 2.297 178.604 176.300 0.012 0.000 0.994 79 D CA 0.580 54.600 54.000 0.034 0.000 0.830 79 D CB -0.332 40.512 40.800 0.074 0.000 0.959 79 D HN 0.294 nan 8.370 nan 0.000 0.452 80 I N 0.505 121.083 120.570 0.014 0.000 2.233 80 I HA -0.172 3.966 4.170 -0.052 0.000 0.243 80 I C 2.410 178.504 176.117 -0.038 0.000 1.093 80 I CA 0.520 61.819 61.300 -0.001 0.000 1.380 80 I CB -0.135 37.879 38.000 0.024 0.000 1.067 80 I HN -0.063 nan 8.210 nan 0.000 0.413 81 I N 0.961 121.510 120.570 -0.035 0.000 2.185 81 I HA -0.345 3.793 4.170 -0.052 0.000 0.246 81 I C 1.328 177.424 176.117 -0.036 0.000 1.088 81 I CA 1.466 62.740 61.300 -0.043 0.000 1.347 81 I CB -0.513 37.467 38.000 -0.033 0.000 1.041 81 I HN 0.283 nan 8.210 nan 0.000 0.415 82 D N 0.548 120.934 120.400 -0.023 0.000 2.336 82 D HA 0.095 4.703 4.640 -0.052 0.000 0.229 82 D C 1.480 177.770 176.300 -0.017 0.000 1.061 82 D CA 0.946 54.936 54.000 -0.017 0.000 0.875 82 D CB 0.230 41.025 40.800 -0.008 0.000 0.904 82 D HN 0.498 nan 8.370 nan 0.000 0.525 83 G N 0.410 109.195 108.800 -0.025 0.000 2.141 83 G HA2 -0.269 3.660 3.960 -0.052 0.000 0.231 83 G HA3 -0.269 3.660 3.960 -0.052 0.000 0.231 83 G C 0.082 174.976 174.900 -0.011 0.000 0.984 83 G CA -0.182 44.903 45.100 -0.024 0.000 0.660 83 G HN 0.302 nan 8.290 nan 0.000 0.525 84 L N 0.108 121.326 121.223 -0.008 0.000 2.421 84 L HA 0.750 5.059 4.340 -0.052 0.000 0.263 84 L C 1.602 178.472 176.870 -0.000 0.000 1.122 84 L CA 0.110 54.943 54.840 -0.012 0.000 0.804 84 L CB 1.017 43.062 42.059 -0.024 0.000 1.150 84 L HN 0.495 nan 8.230 nan 0.000 0.457 85 L N 1.980 123.190 121.223 -0.021 0.000 4.291 85 L HA -0.284 4.025 4.340 -0.052 0.000 0.413 85 L C 1.243 178.234 176.870 0.202 0.000 1.162 85 L CA 0.158 54.990 54.840 -0.013 0.000 0.961 85 L CB -1.475 40.507 42.059 -0.129 0.000 2.095 85 L HN 0.710 nan 8.230 nan 0.000 0.838 86 M N 1.194 120.892 119.600 0.164 0.000 2.213 86 M HA -0.137 4.311 4.480 -0.052 0.000 0.263 86 M C 2.238 178.701 176.300 0.271 0.000 1.062 86 M CA 2.493 57.916 55.300 0.204 0.000 1.105 86 M CB -0.226 32.419 32.600 0.075 0.000 1.385 86 M HN 0.454 nan 8.290 nan 0.000 0.417 87 E N -1.326 118.989 120.200 0.191 0.000 2.427 87 E HA -0.147 4.172 4.350 -0.052 0.000 0.196 87 E C 1.074 177.799 176.600 0.207 0.000 1.028 87 E CA 0.654 57.159 56.400 0.174 0.000 0.864 87 E CB -0.589 29.187 29.700 0.127 0.000 0.813 87 E HN 0.512 nan 8.360 nan 0.000 0.514 88 Q N 0.048 119.977 119.800 0.215 0.000 2.444 88 Q HA 0.119 4.428 4.340 -0.052 0.000 0.206 88 Q C -0.342 175.637 176.000 -0.034 0.000 0.948 88 Q CA 0.216 56.121 55.803 0.169 0.000 0.946 88 Q CB -0.207 28.550 28.738 0.033 0.000 1.027 88 Q HN 0.246 nan 8.270 nan 0.000 0.513 89 F N 0.911 120.928 119.950 0.112 0.000 2.334 89 F HA 0.118 4.615 4.527 -0.049 0.000 0.365 89 F C 1.143 176.956 175.800 0.021 0.000 1.124 89 F CA -0.626 57.411 58.000 0.062 0.000 1.166 89 F CB 0.750 39.781 39.000 0.052 0.000 1.355 89 F HN -0.234 nan 8.300 nan 0.000 0.532 90 V N -0.388 119.527 119.914 0.003 0.000 3.556 90 V HA 0.232 4.321 4.120 -0.052 0.000 0.287 90 V C 0.413 176.469 176.094 -0.063 0.000 1.422 90 V CA -0.220 62.041 62.300 -0.066 0.000 1.038 90 V CB -0.358 31.313 31.823 -0.254 0.000 0.850 90 V HN 0.170 nan 8.190 nan 0.000 0.437 91 V N 2.753 122.650 119.914 -0.030 0.000 2.599 91 V HA 0.094 4.183 4.120 -0.052 0.000 0.300 91 V C 0.690 176.814 176.094 0.051 0.000 1.034 91 V CA 0.195 62.509 62.300 0.023 0.000 1.115 91 V CB 0.401 32.259 31.823 0.057 0.000 0.934 91 V HN 0.500 nan 8.190 nan 0.000 0.485 92 D N 2.879 123.323 120.400 0.073 0.000 2.525 92 D HA -0.047 4.562 4.640 -0.052 0.000 0.235 92 D C 1.265 177.572 176.300 0.013 0.000 1.137 92 D CA 0.335 54.376 54.000 0.069 0.000 0.868 92 D CB 1.584 42.468 40.800 0.140 0.000 1.180 92 D HN 0.509 nan 8.370 nan 0.000 0.465 93 V N 2.329 122.197 119.914 -0.075 0.000 2.720 93 V HA -0.171 3.918 4.120 -0.052 0.000 0.256 93 V C 1.670 177.566 176.094 -0.330 0.000 1.082 93 V CA 1.106 63.243 62.300 -0.271 0.000 1.101 93 V CB -0.861 30.544 31.823 -0.697 0.000 0.693 93 V HN 0.441 nan 8.190 nan 0.000 0.479 94 F N 1.959 121.801 119.950 -0.179 0.000 2.773 94 F HA 0.245 4.739 4.527 -0.055 0.000 0.304 94 F C 1.562 177.257 175.800 -0.176 0.000 1.129 94 F CA -0.434 57.490 58.000 -0.126 0.000 1.378 94 F CB -0.323 38.630 39.000 -0.079 0.000 1.095 94 F HN 0.344 nan 8.300 nan 0.000 0.565 95 Q N 1.040 120.744 119.800 -0.160 0.000 2.485 95 Q HA 0.047 4.356 4.340 -0.052 0.000 0.348 95 Q C 0.640 176.170 176.000 -0.782 0.000 1.097 95 Q CA 0.375 55.758 55.803 -0.699 0.000 1.079 95 Q CB 0.242 28.651 28.738 -0.549 0.000 1.108 95 Q HN 0.312 nan 8.270 nan 0.000 0.400 96 G N 1.248 109.301 108.800 -1.245 0.000 2.588 96 G HA2 0.424 4.353 3.960 -0.052 0.000 0.278 96 G HA3 0.424 4.353 3.960 -0.052 0.000 0.278 96 G C 0.843 175.402 174.900 -0.569 0.000 1.307 96 G CA -0.342 44.410 45.100 -0.580 0.000 1.016 96 G HN 1.431 nan 8.290 nan 0.000 0.503 97 G N -2.200 106.457 108.800 -0.237 0.000 2.175 97 G HA2 0.173 4.101 3.960 -0.052 0.000 0.244 97 G HA3 0.173 4.101 3.960 -0.052 0.000 0.244 97 G C 1.088 175.856 174.900 -0.221 0.000 0.982 97 G CA 1.157 46.157 45.100 -0.166 0.000 0.641 97 G HN 2.462 nan 8.290 nan 0.000 0.527 98 A N -1.231 121.425 122.820 -0.273 0.000 2.847 98 A HA 0.384 4.673 4.320 -0.052 0.000 0.263 98 A C 2.124 179.413 177.584 -0.491 0.000 1.391 98 A CA 1.977 53.840 52.037 -0.291 0.000 0.866 98 A CB -1.434 17.443 19.000 -0.205 0.000 1.057 98 A HN 2.856 nan 8.150 nan 0.000 0.673 99 G N -4.377 103.993 108.800 -0.717 0.000 2.253 99 G HA2 -0.104 3.825 3.960 -0.052 0.000 0.209 99 G HA3 -0.104 3.825 3.960 -0.052 0.000 0.209 99 G C 1.245 175.799 174.900 -0.577 0.000 0.997 99 G CA 1.111 45.405 45.100 -1.345 0.000 0.640 99 G HN 1.374 nan 8.290 nan 0.000 0.496 100 T N 1.367 115.740 114.554 -0.302 0.000 2.665 100 T HA -0.129 4.190 4.350 -0.052 0.000 0.268 100 T C 2.537 177.197 174.700 -0.066 0.000 1.035 100 T CA 2.257 64.285 62.100 -0.120 0.000 1.151 100 T CB -0.315 68.515 68.868 -0.064 0.000 0.862 100 T HN 0.382 nan 8.240 nan 0.000 0.438 101 S N 0.892 116.547 115.700 -0.074 0.000 2.399 101 S HA -0.066 4.373 4.470 -0.052 0.000 0.231 101 S C 2.450 177.067 174.600 0.027 0.000 1.022 101 S CA 0.973 59.183 58.200 0.017 0.000 0.983 101 S CB -0.251 63.007 63.200 0.096 0.000 0.803 101 S HN 0.459 nan 8.310 nan 0.000 0.480 102 S N 1.732 117.434 115.700 0.003 0.000 2.377 102 S HA -0.047 4.391 4.470 -0.052 0.000 0.223 102 S C 1.760 176.467 174.600 0.177 0.000 1.030 102 S CA 0.865 59.146 58.200 0.134 0.000 0.970 102 S CB -0.487 62.852 63.200 0.233 0.000 0.830 102 S HN 0.545 nan 8.310 nan 0.000 0.473 103 N N 1.656 120.433 118.700 0.129 0.000 2.069 103 N HA -0.091 4.618 4.740 -0.052 0.000 0.191 103 N C 1.681 177.252 175.510 0.102 0.000 1.031 103 N CA 1.504 54.634 53.050 0.133 0.000 0.852 103 N CB -0.262 38.282 38.487 0.094 0.000 1.018 103 N HN 0.131 nan 8.380 nan 0.000 0.423 104 M N 0.431 120.068 119.600 0.061 0.000 2.132 104 M HA -0.071 4.378 4.480 -0.052 0.000 0.263 104 M C 1.955 178.273 176.300 0.031 0.000 1.065 104 M CA 1.101 56.420 55.300 0.033 0.000 1.122 104 M CB -1.631 30.977 32.600 0.014 0.000 1.365 104 M HN 0.377 nan 8.290 nan 0.000 0.411 105 N N 0.024 118.752 118.700 0.047 0.000 2.104 105 N HA -0.133 4.575 4.740 -0.052 0.000 0.190 105 N C 1.657 177.152 175.510 -0.025 0.000 1.024 105 N CA 1.251 54.292 53.050 -0.015 0.000 0.853 105 N CB 0.169 38.663 38.487 0.012 0.000 1.008 105 N HN 0.306 nan 8.380 nan 0.000 0.424 106 A N 1.451 124.413 122.820 0.237 0.000 1.835 106 A HA -0.202 4.087 4.320 -0.052 0.000 0.215 106 A C 1.971 179.650 177.584 0.159 0.000 1.199 106 A CA 1.559 53.802 52.037 0.343 0.000 0.615 106 A CB -0.933 18.257 19.000 0.317 0.000 0.838 106 A HN 0.372 nan 8.150 nan 0.000 0.444 107 N N 0.023 118.784 118.700 0.101 0.000 2.069 107 N HA -0.211 4.498 4.740 -0.052 0.000 0.196 107 N C 1.690 177.203 175.510 0.005 0.000 1.024 107 N CA 1.981 55.058 53.050 0.046 0.000 0.869 107 N CB -0.502 37.993 38.487 0.013 0.000 1.035 107 N HN 0.709 nan 8.380 nan 0.000 0.434 108 E N -0.037 120.151 120.200 -0.019 0.000 2.046 108 E HA -0.059 4.259 4.350 -0.052 0.000 0.190 108 E C 2.080 178.713 176.600 0.055 0.000 0.982 108 E CA 0.703 57.086 56.400 -0.027 0.000 0.800 108 E CB 0.034 29.725 29.700 -0.015 0.000 0.756 108 E HN 0.045 nan 8.360 nan 0.000 0.449 109 V N 1.637 121.566 119.914 0.025 0.000 2.295 109 V HA -0.281 3.808 4.120 -0.052 0.000 0.246 109 V C 2.273 178.447 176.094 0.134 0.000 1.049 109 V CA 1.619 63.948 62.300 0.049 0.000 1.024 109 V CB -0.407 31.291 31.823 -0.208 0.000 0.648 109 V HN 0.281 nan 8.190 nan 0.000 0.447 110 I N 0.306 120.954 120.570 0.130 0.000 2.163 110 I HA -0.294 3.845 4.170 -0.052 0.000 0.243 110 I C 2.696 178.893 176.117 0.133 0.000 1.085 110 I CA 1.591 62.971 61.300 0.134 0.000 1.347 110 I CB -0.695 37.379 38.000 0.124 0.000 1.044 110 I HN 0.317 nan 8.210 nan 0.000 0.408 111 A N 1.136 124.026 122.820 0.118 0.000 1.859 111 A HA -0.256 4.033 4.320 -0.052 0.000 0.217 111 A C 2.145 179.846 177.584 0.195 0.000 1.198 111 A CA 2.195 54.316 52.037 0.141 0.000 0.629 111 A CB -0.838 18.221 19.000 0.097 0.000 0.830 111 A HN 0.439 nan 8.150 nan 0.000 0.446 112 N N -0.711 118.123 118.700 0.224 0.000 2.084 112 N HA -0.183 4.526 4.740 -0.052 0.000 0.190 112 N C 1.937 177.589 175.510 0.237 0.000 1.030 112 N CA 1.672 54.840 53.050 0.198 0.000 0.849 112 N CB -0.427 38.151 38.487 0.152 0.000 1.012 112 N HN 0.431 nan 8.380 nan 0.000 0.423 113 R N 1.431 122.149 120.500 0.364 0.000 2.096 113 R HA -0.028 4.280 4.340 -0.052 0.000 0.240 113 R C 1.988 178.450 176.300 0.269 0.000 1.139 113 R CA 1.777 58.087 56.100 0.351 0.000 0.952 113 R CB -0.973 29.455 30.300 0.212 0.000 0.854 113 R HN 0.228 nan 8.270 nan 0.000 0.436 114 A N 0.149 123.098 122.820 0.213 0.000 1.972 114 A HA -0.094 4.195 4.320 -0.052 0.000 0.219 114 A C 2.294 179.970 177.584 0.155 0.000 1.169 114 A CA 1.487 53.628 52.037 0.173 0.000 0.635 114 A CB -0.555 18.508 19.000 0.106 0.000 0.810 114 A HN 0.366 nan 8.150 nan 0.000 0.446 115 L N -1.017 120.284 121.223 0.130 0.000 2.056 115 L HA -0.174 4.135 4.340 -0.052 0.000 0.207 115 L C 2.602 179.511 176.870 0.065 0.000 1.078 115 L CA 1.745 56.634 54.840 0.082 0.000 0.749 115 L CB -0.408 41.679 42.059 0.046 0.000 0.901 115 L HN 0.542 nan 8.230 nan 0.000 0.433 116 E N -0.972 119.270 120.200 0.070 0.000 2.268 116 E HA -0.220 4.099 4.350 -0.052 0.000 0.195 116 E C 2.000 178.594 176.600 -0.010 0.000 0.995 116 E CA 0.601 57.014 56.400 0.021 0.000 0.836 116 E CB 0.143 29.868 29.700 0.042 0.000 0.763 116 E HN 0.528 nan 8.360 nan 0.000 0.491 117 H N -0.407 118.686 119.070 0.037 0.000 2.470 117 H HA 0.032 4.556 4.556 -0.053 0.000 0.289 117 H C 1.511 176.843 175.328 0.007 0.000 1.033 117 H CA 0.735 56.794 56.048 0.018 0.000 1.331 117 H CB 0.379 30.145 29.762 0.007 0.000 1.414 117 H HN 0.213 nan 8.280 nan 0.000 0.545 118 L N 0.165 121.461 121.223 0.122 0.000 2.653 118 L HA 0.119 4.427 4.340 -0.052 0.000 0.232 118 L C 1.116 178.008 176.870 0.037 0.000 1.169 118 L CA 0.214 55.096 54.840 0.069 0.000 0.951 118 L CB 0.071 42.166 42.059 0.059 0.000 1.181 118 L HN 0.290 nan 8.230 nan 0.000 0.460 119 G N 0.765 109.579 108.800 0.023 0.000 2.296 119 G HA2 -0.367 3.562 3.960 -0.052 0.000 0.282 119 G HA3 -0.367 3.562 3.960 -0.052 0.000 0.282 119 G C 0.301 175.195 174.900 -0.009 0.000 1.014 119 G CA 0.725 45.825 45.100 -0.001 0.000 0.812 119 G HN 0.540 nan 8.290 nan 0.000 0.508 120 R N -0.379 120.117 120.500 -0.008 0.000 2.720 120 R HA 0.948 5.257 4.340 -0.052 0.000 0.272 120 R C -2.197 174.073 176.300 -0.051 0.000 0.991 120 R CA -1.041 55.045 56.100 -0.023 0.000 1.010 120 R CB 0.546 30.840 30.300 -0.010 0.000 1.141 120 R HN 0.294 nan 8.270 nan 0.000 0.494 121 P HA 0.375 nan 4.420 nan 0.000 0.279 121 P C -0.809 176.400 177.300 -0.152 0.000 1.276 121 P CA -0.784 62.250 63.100 -0.111 0.000 0.801 121 P CB 0.575 32.211 31.700 -0.107 0.000 1.127 122 R N -0.384 119.999 120.500 -0.195 0.000 2.543 122 R HA 0.389 4.697 4.340 -0.052 0.000 0.277 122 R C 1.144 177.245 176.300 -0.332 0.000 1.074 122 R CA 0.672 56.625 56.100 -0.245 0.000 1.076 122 R CB -0.430 29.704 30.300 -0.277 0.000 0.993 122 R HN 0.908 nan 8.270 nan 0.000 0.459 123 G N 1.735 110.216 108.800 -0.531 0.000 2.179 123 G HA2 -0.284 3.644 3.960 -0.052 0.000 0.260 123 G HA3 -0.284 3.644 3.960 -0.052 0.000 0.260 123 G C 0.068 174.315 174.900 -1.088 0.000 0.977 123 G CA 0.408 44.852 45.100 -1.093 0.000 0.641 123 G HN 0.694 nan 8.290 nan 0.000 0.533 124 D N 0.355 120.421 120.400 -0.557 0.000 2.671 124 D HA 0.320 4.928 4.640 -0.052 0.000 0.228 124 D C 1.182 177.415 176.300 -0.111 0.000 1.102 124 D CA -0.649 53.190 54.000 -0.269 0.000 1.044 124 D CB -0.537 40.185 40.800 -0.130 0.000 1.113 124 D HN 0.375 nan 8.370 nan 0.000 0.480 125 Y N 0.366 120.686 120.300 0.034 0.000 2.578 125 Y HA 0.041 4.558 4.550 -0.055 0.000 0.297 125 Y C 2.610 178.612 175.900 0.170 0.000 1.176 125 Y CA 0.794 58.941 58.100 0.079 0.000 1.315 125 Y CB -1.235 37.231 38.460 0.010 0.000 1.031 125 Y HN 0.472 nan 8.280 nan 0.000 0.524 126 Q N -0.038 119.887 119.800 0.208 0.000 2.297 126 Q HA -0.072 4.237 4.340 -0.052 0.000 0.204 126 Q C 1.936 178.005 176.000 0.116 0.000 0.962 126 Q CA 1.869 57.758 55.803 0.143 0.000 0.879 126 Q CB -1.089 27.695 28.738 0.078 0.000 0.947 126 Q HN 0.507 nan 8.270 nan 0.000 0.462 127 T N -0.760 113.863 114.554 0.115 0.000 2.898 127 T HA 0.459 4.778 4.350 -0.052 0.000 0.241 127 T C 0.971 175.748 174.700 0.128 0.000 1.024 127 T CA 1.156 63.314 62.100 0.096 0.000 1.174 127 T CB -0.044 68.862 68.868 0.064 0.000 0.873 127 T HN 0.888 nan 8.240 nan 0.000 0.422 128 I N 2.052 122.722 120.570 0.166 0.000 2.411 128 I HA 0.557 4.696 4.170 -0.052 0.000 0.284 128 I C -0.615 175.664 176.117 0.269 0.000 1.012 128 I CA -1.115 60.298 61.300 0.188 0.000 1.119 128 I CB 0.308 38.397 38.000 0.149 0.000 1.261 128 I HN 0.392 nan 8.210 nan 0.000 0.448 129 H N 7.111 126.251 119.070 0.118 0.000 2.517 129 H HA 0.381 4.906 4.556 -0.052 0.000 0.317 129 H C -1.948 173.354 175.328 -0.043 0.000 1.080 129 H CA -1.574 54.503 56.048 0.049 0.000 1.301 129 H CB 2.419 32.205 29.762 0.039 0.000 1.425 129 H HN 0.458 nan 8.280 nan 0.000 0.471 130 P HA -0.180 nan 4.420 nan 0.000 0.216 130 P C 0.984 178.230 177.300 -0.090 0.000 1.153 130 P CA 1.389 64.321 63.100 -0.280 0.000 0.858 130 P CB 0.521 31.918 31.700 -0.506 0.000 0.789 131 N N -1.218 117.478 118.700 -0.007 0.000 2.197 131 N HA -0.073 4.635 4.740 -0.052 0.000 0.184 131 N C 1.297 176.926 175.510 0.199 0.000 1.030 131 N CA 1.046 54.189 53.050 0.155 0.000 0.851 131 N CB -0.557 38.051 38.487 0.201 0.000 1.003 131 N HN 0.123 nan 8.380 nan 0.000 0.430 132 D N 1.028 121.632 120.400 0.339 0.000 2.144 132 D HA -0.078 4.531 4.640 -0.052 0.000 0.200 132 D C 0.954 177.307 176.300 0.088 0.000 0.978 132 D CA 1.128 55.178 54.000 0.085 0.000 0.833 132 D CB 0.017 40.742 40.800 -0.126 0.000 0.961 132 D HN 0.279 nan 8.370 nan 0.000 0.470 133 D N -0.027 120.455 120.400 0.136 0.000 2.628 133 D HA -0.011 4.598 4.640 -0.052 0.000 0.258 133 D C 2.444 178.807 176.300 0.104 0.000 1.165 133 D CA 0.247 54.316 54.000 0.115 0.000 0.991 133 D CB -0.496 40.383 40.800 0.132 0.000 1.104 133 D HN -0.060 nan 8.370 nan 0.000 0.438 134 V N 1.478 121.450 119.914 0.098 0.000 2.380 134 V HA -0.234 3.855 4.120 -0.052 0.000 0.251 134 V C 1.734 177.879 176.094 0.085 0.000 1.063 134 V CA 1.771 64.123 62.300 0.087 0.000 1.055 134 V CB -0.669 31.194 31.823 0.068 0.000 0.657 134 V HN 0.124 nan 8.190 nan 0.000 0.455 135 N N -0.821 117.924 118.700 0.075 0.000 2.270 135 N HA 0.124 4.833 4.740 -0.052 0.000 0.198 135 N C 0.601 176.139 175.510 0.046 0.000 1.117 135 N CA -0.079 53.009 53.050 0.064 0.000 0.845 135 N CB -0.087 38.432 38.487 0.053 0.000 0.980 135 N HN 0.524 nan 8.380 nan 0.000 0.486 136 M N 0.536 120.165 119.600 0.048 0.000 2.251 136 M HA -0.057 4.391 4.480 -0.052 0.000 0.343 136 M C 0.088 176.348 176.300 -0.067 0.000 1.245 136 M CA 0.831 56.135 55.300 0.006 0.000 1.061 136 M CB 0.206 32.824 32.600 0.030 0.000 1.723 136 M HN 0.292 nan 8.290 nan 0.000 0.449 137 S N 1.020 116.626 115.700 -0.156 0.000 3.146 137 S HA -0.230 4.208 4.470 -0.052 0.000 0.285 137 S C -0.413 174.027 174.600 -0.267 0.000 1.293 137 S CA 1.461 59.446 58.200 -0.359 0.000 1.137 137 S CB -1.790 60.897 63.200 -0.855 0.000 1.357 137 S HN 0.910 nan 8.310 nan 0.000 0.678 138 Q N 0.590 120.340 119.800 -0.083 0.000 2.345 138 Q HA 0.719 5.028 4.340 -0.052 0.000 0.268 138 Q C -0.265 175.745 176.000 0.017 0.000 1.054 138 Q CA -0.273 55.535 55.803 0.007 0.000 0.835 138 Q CB 2.207 30.986 28.738 0.069 0.000 1.339 138 Q HN 0.413 nan 8.270 nan 0.000 0.447 139 S N -0.446 115.276 115.700 0.037 0.000 2.599 139 S HA 0.363 4.801 4.470 -0.052 0.000 0.294 139 S C 0.462 175.098 174.600 0.060 0.000 1.094 139 S CA -0.604 57.620 58.200 0.039 0.000 0.931 139 S CB 1.684 64.900 63.200 0.028 0.000 1.093 139 S HN 0.525 nan 8.310 nan 0.000 0.488 140 T N 2.310 116.897 114.554 0.054 0.000 2.737 140 T HA -0.100 4.219 4.350 -0.052 0.000 0.269 140 T C 1.318 176.077 174.700 0.097 0.000 1.040 140 T CA 1.817 63.960 62.100 0.071 0.000 1.142 140 T CB -0.628 68.251 68.868 0.019 0.000 0.861 140 T HN 0.662 nan 8.240 nan 0.000 0.456 141 N N 1.490 120.232 118.700 0.071 0.000 2.494 141 N HA -0.048 4.660 4.740 -0.052 0.000 0.182 141 N C 1.507 177.070 175.510 0.089 0.000 1.076 141 N CA 0.890 53.988 53.050 0.079 0.000 0.908 141 N CB -0.092 38.428 38.487 0.054 0.000 0.967 141 N HN 0.731 nan 8.380 nan 0.000 0.449 142 D N -0.967 119.486 120.400 0.088 0.000 2.455 142 D HA 0.023 4.632 4.640 -0.052 0.000 0.228 142 D C 1.518 177.873 176.300 0.092 0.000 1.070 142 D CA 0.096 54.147 54.000 0.085 0.000 0.881 142 D CB -0.043 40.804 40.800 0.078 0.000 1.087 142 D HN -0.111 nan 8.370 nan 0.000 0.498 143 V N 0.857 120.836 119.914 0.108 0.000 2.270 143 V HA -0.223 3.866 4.120 -0.052 0.000 0.245 143 V C 2.395 178.556 176.094 0.112 0.000 1.043 143 V CA 1.577 63.941 62.300 0.108 0.000 1.014 143 V CB -0.970 30.924 31.823 0.119 0.000 0.645 143 V HN 0.168 nan 8.190 nan 0.000 0.447 144 Y N 2.312 122.628 120.300 0.027 0.000 2.163 144 Y HA -0.076 4.445 4.550 -0.048 0.000 0.288 144 Y C -0.021 175.889 175.900 0.018 0.000 1.136 144 Y CA 1.752 59.860 58.100 0.013 0.000 1.147 144 Y CB -1.380 37.082 38.460 0.004 0.000 0.987 144 Y HN 0.299 nan 8.280 nan 0.000 0.509 145 P HA -0.124 nan 4.420 nan 0.000 0.220 145 P C 1.335 178.629 177.300 -0.009 0.000 1.148 145 P CA 1.981 65.116 63.100 0.058 0.000 0.803 145 P CB -0.123 31.654 31.700 0.128 0.000 0.782 146 T N -0.168 114.378 114.554 -0.014 0.000 2.812 146 T HA 0.019 4.338 4.350 -0.052 0.000 0.264 146 T C 2.027 176.677 174.700 -0.084 0.000 1.042 146 T CA 1.444 63.528 62.100 -0.027 0.000 1.140 146 T CB -0.651 68.217 68.868 0.001 0.000 0.870 146 T HN 0.062 nan 8.240 nan 0.000 0.445 147 A N 0.952 123.694 122.820 -0.130 0.000 1.969 147 A HA 0.008 4.296 4.320 -0.052 0.000 0.218 147 A C 2.521 179.940 177.584 -0.275 0.000 1.169 147 A CA 0.978 52.907 52.037 -0.181 0.000 0.635 147 A CB -0.902 17.995 19.000 -0.173 0.000 0.810 147 A HN 0.337 nan 8.150 nan 0.000 0.445 148 V N -0.048 119.635 119.914 -0.385 0.000 2.261 148 V HA -0.299 3.790 4.120 -0.052 0.000 0.246 148 V C 2.635 178.541 176.094 -0.314 0.000 1.047 148 V CA 2.399 64.452 62.300 -0.411 0.000 1.015 148 V CB -0.788 30.759 31.823 -0.459 0.000 0.642 148 V HN 0.545 nan 8.190 nan 0.000 0.446 149 R N -0.733 119.650 120.500 -0.196 0.000 2.091 149 R HA -0.190 4.119 4.340 -0.052 0.000 0.238 149 R C 2.208 178.381 176.300 -0.211 0.000 1.136 149 R CA 1.674 57.644 56.100 -0.218 0.000 0.959 149 R CB -0.568 29.711 30.300 -0.035 0.000 0.856 149 R HN 0.370 nan 8.270 nan 0.000 0.437 150 L N 0.459 121.593 121.223 -0.149 0.000 2.056 150 L HA -0.073 4.236 4.340 -0.052 0.000 0.207 150 L C 2.181 178.965 176.870 -0.144 0.000 1.078 150 L CA 1.941 56.712 54.840 -0.116 0.000 0.749 150 L CB -0.706 41.299 42.059 -0.091 0.000 0.901 150 L HN 0.153 nan 8.230 nan 0.000 0.433 151 A N -0.462 122.245 122.820 -0.189 0.000 1.883 151 A HA -0.197 4.091 4.320 -0.052 0.000 0.217 151 A C 2.249 179.713 177.584 -0.200 0.000 1.186 151 A CA 2.117 54.042 52.037 -0.187 0.000 0.624 151 A CB -0.927 17.945 19.000 -0.214 0.000 0.822 151 A HN 0.502 nan 8.150 nan 0.000 0.444 152 L N -0.946 120.095 121.223 -0.303 0.000 2.093 152 L HA -0.156 4.153 4.340 -0.052 0.000 0.208 152 L C 2.551 179.304 176.870 -0.195 0.000 1.085 152 L CA 0.928 55.557 54.840 -0.351 0.000 0.755 152 L CB -0.586 41.002 42.059 -0.784 0.000 0.904 152 L HN 0.350 nan 8.230 nan 0.000 0.435 153 L N -0.440 120.703 121.223 -0.134 0.000 2.083 153 L HA -0.211 4.098 4.340 -0.052 0.000 0.209 153 L C 2.428 179.280 176.870 -0.031 0.000 1.083 153 L CA 1.094 55.918 54.840 -0.025 0.000 0.752 153 L CB -0.352 41.709 42.059 0.004 0.000 0.899 153 L HN 0.246 nan 8.230 nan 0.000 0.433 154 L N -1.178 120.010 121.223 -0.059 0.000 2.353 154 L HA -0.140 4.168 4.340 -0.052 0.000 0.220 154 L C 1.922 178.771 176.870 -0.036 0.000 1.133 154 L CA 0.681 55.492 54.840 -0.048 0.000 0.798 154 L CB -0.210 41.809 42.059 -0.066 0.000 0.922 154 L HN 0.190 nan 8.230 nan 0.000 0.445 155 S N -1.800 113.879 115.700 -0.036 0.000 2.539 155 S HA 0.034 4.472 4.470 -0.052 0.000 0.221 155 S C 1.654 176.274 174.600 0.033 0.000 0.987 155 S CA -0.301 57.891 58.200 -0.015 0.000 0.929 155 S CB 0.336 63.517 63.200 -0.033 0.000 0.832 155 S HN 0.308 nan 8.310 nan 0.000 0.492 156 Q N 2.123 121.950 119.800 0.046 0.000 2.084 156 Q HA -0.057 4.251 4.340 -0.052 0.000 0.202 156 Q C 1.675 177.728 176.000 0.088 0.000 0.978 156 Q CA 1.281 57.145 55.803 0.100 0.000 0.844 156 Q CB -0.642 28.152 28.738 0.093 0.000 0.898 156 Q HN 0.463 nan 8.270 nan 0.000 0.426 157 N N 0.816 119.548 118.700 0.052 0.000 2.166 157 N HA -0.187 4.521 4.740 -0.052 0.000 0.186 157 N C 1.703 177.242 175.510 0.048 0.000 1.019 157 N CA 1.550 54.627 53.050 0.045 0.000 0.856 157 N CB 0.052 38.552 38.487 0.021 0.000 0.993 157 N HN 0.349 nan 8.380 nan 0.000 0.426 158 Q N -0.687 119.135 119.800 0.037 0.000 2.124 158 Q HA -0.075 4.234 4.340 -0.052 0.000 0.202 158 Q C 1.834 177.861 176.000 0.045 0.000 0.977 158 Q CA 1.389 57.210 55.803 0.031 0.000 0.850 158 Q CB -0.296 28.451 28.738 0.015 0.000 0.901 158 Q HN 0.141 nan 8.270 nan 0.000 0.429 159 V N 1.100 121.053 119.914 0.066 0.000 2.323 159 V HA -0.220 3.869 4.120 -0.052 0.000 0.244 159 V C 2.468 178.610 176.094 0.081 0.000 1.041 159 V CA 1.706 64.048 62.300 0.070 0.000 1.025 159 V CB -0.639 31.245 31.823 0.102 0.000 0.656 159 V HN 0.363 nan 8.190 nan 0.000 0.451 160 Q N 0.056 119.925 119.800 0.114 0.000 2.096 160 Q HA -0.189 4.120 4.340 -0.052 0.000 0.204 160 Q C 2.391 178.538 176.000 0.245 0.000 0.982 160 Q CA 2.276 58.188 55.803 0.181 0.000 0.850 160 Q CB -0.821 28.033 28.738 0.194 0.000 0.901 160 Q HN 0.634 nan 8.270 nan 0.000 0.422 161 T N 1.426 116.065 114.554 0.141 0.000 2.684 161 T HA -0.139 4.180 4.350 -0.052 0.000 0.267 161 T C 1.886 176.645 174.700 0.098 0.000 1.036 161 T CA 1.539 63.703 62.100 0.106 0.000 1.148 161 T CB -0.265 68.630 68.868 0.045 0.000 0.863 161 T HN 0.429 nan 8.240 nan 0.000 0.436 162 A N 1.186 124.043 122.820 0.061 0.000 1.873 162 A HA 0.006 4.295 4.320 -0.052 0.000 0.215 162 A C 2.238 179.832 177.584 0.018 0.000 1.186 162 A CA 1.208 53.261 52.037 0.026 0.000 0.616 162 A CB -0.850 18.156 19.000 0.009 0.000 0.823 162 A HN 0.380 nan 8.150 nan 0.000 0.442 163 L N -0.411 120.823 121.223 0.018 0.000 1.989 163 L HA -0.192 4.117 4.340 -0.052 0.000 0.211 163 L C 2.277 179.110 176.870 -0.061 0.000 1.071 163 L CA 2.615 57.433 54.840 -0.036 0.000 0.749 163 L CB -1.109 40.903 42.059 -0.077 0.000 0.890 163 L HN 0.567 nan 8.230 nan 0.000 0.431 164 H N -1.440 117.640 119.070 0.016 0.000 2.352 164 H HA -0.173 4.351 4.556 -0.052 0.000 0.299 164 H C 2.289 177.619 175.328 0.003 0.000 1.097 164 H CA 1.841 57.898 56.048 0.016 0.000 1.311 164 H CB -0.045 29.725 29.762 0.013 0.000 1.377 164 H HN 0.172 nan 8.280 nan 0.000 0.504 165 R N 0.842 121.404 120.500 0.103 0.000 2.083 165 R HA -0.117 4.191 4.340 -0.052 0.000 0.237 165 R C 2.085 178.365 176.300 -0.034 0.000 1.137 165 R CA 1.241 57.357 56.100 0.027 0.000 0.951 165 R CB -0.848 29.457 30.300 0.007 0.000 0.851 165 R HN 0.368 nan 8.270 nan 0.000 0.434 166 L N -0.026 121.160 121.223 -0.061 0.000 2.109 166 L HA 0.091 4.399 4.340 -0.052 0.000 0.207 166 L C 2.041 178.837 176.870 -0.123 0.000 1.086 166 L CA 1.492 56.226 54.840 -0.177 0.000 0.760 166 L CB -0.339 41.625 42.059 -0.158 0.000 0.910 166 L HN 0.286 nan 8.230 nan 0.000 0.437 167 I N -0.240 120.351 120.570 0.034 0.000 2.163 167 I HA -0.339 3.799 4.170 -0.052 0.000 0.243 167 I C 2.603 178.795 176.117 0.126 0.000 1.085 167 I CA 1.360 62.741 61.300 0.136 0.000 1.347 167 I CB -0.641 37.398 38.000 0.064 0.000 1.044 167 I HN 0.368 nan 8.210 nan 0.000 0.408 168 A N 0.612 123.472 122.820 0.067 0.000 1.877 168 A HA -0.195 4.094 4.320 -0.052 0.000 0.216 168 A C 2.544 180.147 177.584 0.033 0.000 1.186 168 A CA 1.964 54.034 52.037 0.055 0.000 0.620 168 A CB -0.949 18.074 19.000 0.039 0.000 0.822 168 A HN 0.444 nan 8.150 nan 0.000 0.443 169 A N -0.987 121.813 122.820 -0.033 0.000 1.883 169 A HA -0.034 4.255 4.320 -0.052 0.000 0.217 169 A C 1.933 179.540 177.584 0.039 0.000 1.186 169 A CA 1.724 53.715 52.037 -0.078 0.000 0.624 169 A CB -0.784 18.091 19.000 -0.209 0.000 0.822 169 A HN 0.441 nan 8.150 nan 0.000 0.444 170 F N 0.225 120.269 119.950 0.157 0.000 2.134 170 F HA -0.093 4.403 4.527 -0.052 0.000 0.299 170 F C 2.381 178.292 175.800 0.185 0.000 1.097 170 F CA 1.294 59.458 58.000 0.274 0.000 1.264 170 F CB -0.887 38.286 39.000 0.288 0.000 1.001 170 F HN 0.350 nan 8.300 nan 0.000 0.479 171 E N -0.024 120.351 120.200 0.291 0.000 2.058 171 E HA -0.228 4.090 4.350 -0.052 0.000 0.194 171 E C 2.440 179.084 176.600 0.073 0.000 0.997 171 E CA 1.239 57.732 56.400 0.155 0.000 0.801 171 E CB -0.371 29.393 29.700 0.106 0.000 0.746 171 E HN 0.327 nan 8.360 nan 0.000 0.450 172 A N 1.585 124.425 122.820 0.033 0.000 1.883 172 A HA -0.222 4.067 4.320 -0.052 0.000 0.217 172 A C 1.980 179.471 177.584 -0.156 0.000 1.186 172 A CA 1.415 53.419 52.037 -0.055 0.000 0.624 172 A CB -0.289 18.670 19.000 -0.067 0.000 0.822 172 A HN -0.006 nan 8.150 nan 0.000 0.444 173 K N -0.543 119.755 120.400 -0.171 0.000 2.147 173 K HA -0.099 4.190 4.320 -0.052 0.000 0.205 173 K C 2.104 178.468 176.600 -0.392 0.000 1.049 173 K CA 1.149 57.133 56.287 -0.506 0.000 0.936 173 K CB -0.956 31.251 32.500 -0.488 0.000 0.722 173 K HN 0.495 nan 8.250 nan 0.000 0.446 174 G N 1.577 110.368 108.800 -0.015 0.000 2.440 174 G HA2 -0.279 3.650 3.960 -0.052 0.000 0.218 174 G HA3 -0.279 3.650 3.960 -0.052 0.000 0.218 174 G C 1.690 176.577 174.900 -0.021 0.000 1.154 174 G CA 0.563 45.698 45.100 0.058 0.000 0.767 174 G HN 0.294 nan 8.290 nan 0.000 0.552 175 R N 0.344 120.803 120.500 -0.068 0.000 2.075 175 R HA 0.002 4.311 4.340 -0.052 0.000 0.232 175 R C 2.562 178.791 176.300 -0.118 0.000 1.126 175 R CA 1.348 57.407 56.100 -0.068 0.000 0.963 175 R CB -0.270 29.996 30.300 -0.057 0.000 0.858 175 R HN 0.468 nan 8.270 nan 0.000 0.435 176 E N -0.135 119.902 120.200 -0.271 0.000 2.150 176 E HA -0.137 4.182 4.350 -0.052 0.000 0.193 176 E C 0.762 177.254 176.600 -0.179 0.000 0.985 176 E CA 0.883 57.082 56.400 -0.336 0.000 0.814 176 E CB 0.059 29.412 29.700 -0.578 0.000 0.752 176 E HN 0.259 nan 8.360 nan 0.000 0.466 177 F N -0.149 119.759 119.950 -0.070 0.000 2.641 177 F HA 0.389 4.885 4.527 -0.052 0.000 0.302 177 F C 1.787 177.573 175.800 -0.024 0.000 1.098 177 F CA -0.594 57.369 58.000 -0.061 0.000 1.318 177 F CB -0.501 38.439 39.000 -0.101 0.000 1.035 177 F HN -0.065 nan 8.300 nan 0.000 0.551 178 A N 0.284 123.173 122.820 0.115 0.000 1.997 178 A HA -0.251 4.037 4.320 -0.052 0.000 0.221 178 A C 2.252 179.876 177.584 0.066 0.000 1.172 178 A CA 2.501 54.581 52.037 0.071 0.000 0.645 178 A CB -1.143 17.878 19.000 0.033 0.000 0.813 178 A HN 0.381 nan 8.150 nan 0.000 0.454 179 T N -3.624 110.974 114.554 0.073 0.000 3.086 179 T HA 0.337 4.656 4.350 -0.052 0.000 0.250 179 T C 0.176 174.904 174.700 0.045 0.000 1.074 179 T CA 0.224 62.354 62.100 0.049 0.000 0.988 179 T CB -0.188 68.703 68.868 0.038 0.000 0.988 179 T HN -0.008 nan 8.240 nan 0.000 0.530 180 V N 4.594 124.545 119.914 0.061 0.000 2.356 180 V HA 0.355 4.444 4.120 -0.052 0.000 0.258 180 V C 0.632 176.730 176.094 0.006 0.000 1.065 180 V CA -1.263 61.049 62.300 0.020 0.000 0.935 180 V CB -0.531 31.278 31.823 -0.023 0.000 1.061 180 V HN 0.596 nan 8.190 nan 0.000 0.484 181 I N 3.718 124.288 120.570 0.000 0.000 2.575 181 I HA 0.671 4.810 4.170 -0.052 0.000 0.285 181 I C 0.041 176.150 176.117 -0.013 0.000 1.085 181 I CA -0.149 61.150 61.300 -0.003 0.000 1.403 181 I CB 0.606 38.605 38.000 -0.001 0.000 1.409 181 I HN 0.717 nan 8.210 nan 0.000 0.557 182 K N 4.532 124.926 120.400 -0.011 0.000 2.533 182 K HA 0.609 4.897 4.320 -0.052 0.000 0.284 182 K C -1.512 175.081 176.600 -0.011 0.000 1.025 182 K CA -1.051 55.228 56.287 -0.014 0.000 0.900 182 K CB 1.370 33.859 32.500 -0.019 0.000 1.519 182 K HN 0.539 nan 8.250 nan 0.000 0.432 183 I N 1.697 122.261 120.570 -0.010 0.000 2.342 183 I HA 0.355 4.493 4.170 -0.052 0.000 0.291 183 I C 0.221 176.332 176.117 -0.010 0.000 1.010 183 I CA 0.210 61.504 61.300 -0.009 0.000 1.308 183 I CB 1.023 39.018 38.000 -0.008 0.000 1.400 183 I HN 0.739 nan 8.210 nan 0.000 0.488 184 G N 7.026 115.819 108.800 -0.012 0.000 2.527 184 G HA2 0.456 4.385 3.960 -0.052 0.000 0.248 184 G HA3 0.456 4.385 3.960 -0.052 0.000 0.248 184 G C -0.522 174.372 174.900 -0.010 0.000 1.231 184 G CA -0.595 44.496 45.100 -0.014 0.000 0.838 184 G HN 0.654 nan 8.290 nan 0.000 0.570 185 R N 0.024 120.518 120.500 -0.009 0.000 2.514 185 R HA 0.466 4.774 4.340 -0.052 0.000 0.296 185 R C -0.736 175.561 176.300 -0.005 0.000 1.012 185 R CA -0.623 55.474 56.100 -0.005 0.000 0.897 185 R CB 2.110 32.410 30.300 -0.002 0.000 1.184 185 R HN 0.704 nan 8.270 nan 0.000 0.440 186 T N -0.427 114.125 114.554 -0.003 0.000 2.807 186 T HA 0.242 4.561 4.350 -0.052 0.000 0.279 186 T C 0.243 174.942 174.700 -0.000 0.000 0.993 186 T CA -0.831 61.268 62.100 -0.003 0.000 0.970 186 T CB 1.712 70.578 68.868 -0.003 0.000 0.950 186 T HN 0.718 nan 8.240 nan 0.000 0.441 187 Q N 1.290 121.090 119.800 0.000 0.000 2.480 187 Q HA -0.197 4.112 4.340 -0.052 0.000 0.265 187 Q C 0.516 176.518 176.000 0.002 0.000 1.072 187 Q CA 0.668 56.472 55.803 0.002 0.000 1.018 187 Q CB -1.886 26.853 28.738 0.002 0.000 1.433 187 Q HN 0.916 nan 8.270 nan 0.000 0.513 188 L N -2.692 118.532 121.223 0.002 0.000 4.625 188 L HA -0.316 3.992 4.340 -0.052 0.000 0.428 188 L C 0.226 177.097 176.870 0.002 0.000 1.129 188 L CA 1.055 55.896 54.840 0.003 0.000 0.978 188 L CB -1.313 40.749 42.059 0.004 0.000 2.043 188 L HN 0.337 nan 8.230 nan 0.000 0.847 189 Q N 0.910 120.711 119.800 0.001 0.000 2.235 189 Q HA 0.287 4.596 4.340 -0.052 0.000 0.250 189 Q C -0.022 175.978 176.000 -0.000 0.000 0.909 189 Q CA -0.430 55.374 55.803 0.001 0.000 0.910 189 Q CB 1.188 29.927 28.738 0.001 0.000 1.223 189 Q HN 0.035 nan 8.270 nan 0.000 0.432 190 D N 1.331 121.730 120.400 -0.001 0.000 2.531 190 D HA 0.107 4.716 4.640 -0.052 0.000 0.239 190 D C 0.163 176.461 176.300 -0.003 0.000 1.144 190 D CA 0.361 54.359 54.000 -0.003 0.000 0.869 190 D CB 0.913 41.710 40.800 -0.004 0.000 1.160 190 D HN 0.579 nan 8.370 nan 0.000 0.484 191 A N 2.801 125.619 122.820 -0.004 0.000 3.078 191 A HA 0.587 4.876 4.320 -0.052 0.000 0.206 191 A C 0.180 177.761 177.584 -0.004 0.000 1.967 191 A CA 0.093 52.128 52.037 -0.003 0.000 1.845 191 A CB -0.032 18.965 19.000 -0.004 0.000 1.345 191 A HN 0.459 nan 8.150 nan 0.000 0.393 192 V N -3.040 116.870 119.914 -0.005 0.000 2.919 192 V HA 0.690 4.779 4.120 -0.052 0.000 0.316 192 V C -3.189 172.900 176.094 -0.007 0.000 1.077 192 V CA -2.693 59.604 62.300 -0.005 0.000 0.977 192 V CB 1.244 33.065 31.823 -0.003 0.000 1.039 192 V HN 0.418 nan 8.190 nan 0.000 0.441 193 P HA 0.478 nan 4.420 nan 0.000 0.269 193 P C -0.395 176.901 177.300 -0.008 0.000 1.209 193 P CA 0.119 63.214 63.100 -0.007 0.000 0.776 193 P CB 0.470 32.167 31.700 -0.006 0.000 0.876 194 I N -1.904 118.660 120.570 -0.009 0.000 3.467 194 I HA 0.715 4.854 4.170 -0.052 0.000 0.314 194 I C -0.641 175.474 176.117 -0.003 0.000 1.177 194 I CA -1.088 60.207 61.300 -0.010 0.000 0.943 194 I CB 2.162 40.150 38.000 -0.020 0.000 1.338 194 I HN 0.256 nan 8.210 nan 0.000 0.482 195 T N -0.474 114.082 114.554 0.004 0.000 2.925 195 T HA 0.397 4.715 4.350 -0.052 0.000 0.285 195 T C 0.561 175.284 174.700 0.037 0.000 1.021 195 T CA -0.673 61.440 62.100 0.022 0.000 1.042 195 T CB 1.887 70.776 68.868 0.035 0.000 1.037 195 T HN 0.709 nan 8.240 nan 0.000 0.481 196 L N 2.719 123.975 121.223 0.055 0.000 2.131 196 L HA 0.189 4.498 4.340 -0.052 0.000 0.210 196 L C 2.415 179.441 176.870 0.260 0.000 1.092 196 L CA 2.342 57.251 54.840 0.115 0.000 0.759 196 L CB -1.138 40.915 42.059 -0.010 0.000 0.903 196 L HN 1.003 nan 8.230 nan 0.000 0.435 197 G N -1.532 107.402 108.800 0.224 0.000 2.418 197 G HA2 -0.272 3.657 3.960 -0.052 0.000 0.217 197 G HA3 -0.272 3.657 3.960 -0.052 0.000 0.217 197 G C 1.462 176.436 174.900 0.124 0.000 1.158 197 G CA 0.682 45.911 45.100 0.215 0.000 0.771 197 G HN 0.507 nan 8.290 nan 0.000 0.545 198 Q N -0.286 119.546 119.800 0.052 0.000 2.124 198 Q HA -0.095 4.214 4.340 -0.052 0.000 0.202 198 Q C 2.394 178.329 176.000 -0.108 0.000 0.977 198 Q CA 1.354 57.146 55.803 -0.019 0.000 0.850 198 Q CB -0.102 28.620 28.738 -0.025 0.000 0.901 198 Q HN 0.681 nan 8.270 nan 0.000 0.429 199 E N -0.022 120.101 120.200 -0.128 0.000 2.047 199 E HA -0.177 4.142 4.350 -0.052 0.000 0.191 199 E C 1.480 177.577 176.600 -0.839 0.000 0.987 199 E CA 0.901 57.060 56.400 -0.402 0.000 0.799 199 E CB 0.008 29.537 29.700 -0.284 0.000 0.752 199 E HN 0.252 nan 8.360 nan 0.000 0.449 200 F N 0.895 120.543 119.950 -0.504 0.000 2.234 200 F HA -0.081 4.414 4.527 -0.052 0.000 0.299 200 F C 2.393 178.028 175.800 -0.276 0.000 1.087 200 F CA 1.313 59.058 58.000 -0.425 0.000 1.340 200 F CB -0.161 38.894 39.000 0.092 0.000 1.031 200 F HN 0.091 nan 8.300 nan 0.000 0.500 201 E N 0.737 120.926 120.200 -0.017 0.000 2.153 201 E HA -0.153 4.165 4.350 -0.052 0.000 0.194 201 E C 2.100 178.650 176.600 -0.083 0.000 0.988 201 E CA 1.293 57.692 56.400 -0.002 0.000 0.811 201 E CB -0.398 29.309 29.700 0.011 0.000 0.746 201 E HN 0.231 nan 8.360 nan 0.000 0.466 202 A N -0.282 122.408 122.820 -0.217 0.000 1.969 202 A HA -0.083 4.206 4.320 -0.052 0.000 0.218 202 A C 1.851 179.334 177.584 -0.168 0.000 1.169 202 A CA 1.203 53.118 52.037 -0.203 0.000 0.635 202 A CB -0.778 18.068 19.000 -0.256 0.000 0.810 202 A HN 0.314 nan 8.150 nan 0.000 0.445 203 F N 0.315 120.063 119.950 -0.336 0.000 2.134 203 F HA -0.061 4.435 4.527 -0.052 0.000 0.299 203 F C 2.794 178.396 175.800 -0.330 0.000 1.097 203 F CA 0.315 57.965 58.000 -0.584 0.000 1.264 203 F CB -1.258 36.858 39.000 -1.474 0.000 1.001 203 F HN 0.266 nan 8.300 nan 0.000 0.479 204 A N 0.169 123.025 122.820 0.060 0.000 1.877 204 A HA -0.055 4.234 4.320 -0.052 0.000 0.216 204 A C 2.488 180.128 177.584 0.094 0.000 1.186 204 A CA 2.100 54.253 52.037 0.194 0.000 0.620 204 A CB -1.325 17.804 19.000 0.214 0.000 0.822 204 A HN 0.297 nan 8.150 nan 0.000 0.443 205 A N -1.640 121.204 122.820 0.039 0.000 1.902 205 A HA -0.113 4.176 4.320 -0.052 0.000 0.217 205 A C 2.377 179.968 177.584 0.012 0.000 1.181 205 A CA 2.416 54.465 52.037 0.019 0.000 0.623 205 A CB -1.354 17.645 19.000 -0.001 0.000 0.818 205 A HN 0.464 nan 8.150 nan 0.000 0.443 206 T N -0.320 114.238 114.554 0.007 0.000 2.720 206 T HA -0.092 4.226 4.350 -0.052 0.000 0.268 206 T C 1.742 176.445 174.700 0.006 0.000 1.037 206 T CA 1.626 63.728 62.100 0.003 0.000 1.144 206 T CB -0.418 68.450 68.868 0.000 0.000 0.864 206 T HN 0.367 nan 8.240 nan 0.000 0.444 207 L N -0.024 121.214 121.223 0.025 0.000 2.217 207 L HA 0.066 4.375 4.340 -0.052 0.000 0.211 207 L C 2.898 179.761 176.870 -0.011 0.000 1.107 207 L CA 0.981 55.834 54.840 0.021 0.000 0.783 207 L CB -0.390 41.715 42.059 0.076 0.000 0.919 207 L HN 0.170 nan 8.230 nan 0.000 0.442 208 R N 0.382 120.881 120.500 -0.002 0.000 2.096 208 R HA -0.166 4.142 4.340 -0.052 0.000 0.235 208 R C 2.082 178.369 176.300 -0.022 0.000 1.127 208 R CA 1.241 57.328 56.100 -0.021 0.000 0.968 208 R CB -0.021 30.284 30.300 0.008 0.000 0.861 208 R HN 0.395 nan 8.270 nan 0.000 0.440 209 E N -0.009 120.184 120.200 -0.012 0.000 2.209 209 E HA -0.194 4.125 4.350 -0.052 0.000 0.196 209 E C 0.904 177.492 176.600 -0.019 0.000 0.993 209 E CA 1.165 57.557 56.400 -0.012 0.000 0.819 209 E CB 0.027 29.722 29.700 -0.010 0.000 0.745 209 E HN 0.448 nan 8.360 nan 0.000 0.477 210 D N -0.169 120.213 120.400 -0.031 0.000 2.333 210 D HA -0.069 4.539 4.640 -0.052 0.000 0.208 210 D C 2.109 178.388 176.300 -0.035 0.000 0.984 210 D CA 1.206 55.184 54.000 -0.036 0.000 0.873 210 D CB -0.049 40.723 40.800 -0.047 0.000 0.935 210 D HN 0.253 nan 8.370 nan 0.000 0.521 211 T N 0.061 114.582 114.554 -0.054 0.000 2.652 211 T HA -0.140 4.179 4.350 -0.052 0.000 0.267 211 T C 2.219 176.932 174.700 0.021 0.000 1.039 211 T CA 1.535 63.606 62.100 -0.048 0.000 1.153 211 T CB -0.429 68.358 68.868 -0.134 0.000 0.863 211 T HN 0.072 nan 8.240 nan 0.000 0.428 212 A N 2.019 124.851 122.820 0.021 0.000 1.930 212 A HA 0.195 4.484 4.320 -0.052 0.000 0.217 212 A C 2.827 180.425 177.584 0.023 0.000 1.175 212 A CA 2.235 54.291 52.037 0.032 0.000 0.627 212 A CB -1.277 17.738 19.000 0.025 0.000 0.815 212 A HN 0.743 nan 8.150 nan 0.000 0.443 213 R N -0.512 119.994 120.500 0.010 0.000 2.075 213 R HA 0.016 4.325 4.340 -0.052 0.000 0.232 213 R C 2.069 178.382 176.300 0.022 0.000 1.126 213 R CA 1.698 57.801 56.100 0.005 0.000 0.963 213 R CB -1.605 28.689 30.300 -0.010 0.000 0.858 213 R HN 0.487 nan 8.270 nan 0.000 0.435 214 L N 0.807 122.048 121.223 0.029 0.000 1.990 214 L HA -0.157 4.151 4.340 -0.052 0.000 0.213 214 L C 2.975 179.930 176.870 0.143 0.000 1.072 214 L CA 3.186 58.077 54.840 0.085 0.000 0.755 214 L CB -0.934 41.166 42.059 0.069 0.000 0.889 214 L HN 0.601 nan 8.230 nan 0.000 0.432 215 E N -0.001 120.256 120.200 0.095 0.000 2.058 215 E HA -0.290 4.029 4.350 -0.052 0.000 0.194 215 E C 1.881 178.501 176.600 0.032 0.000 0.997 215 E CA 1.647 58.091 56.400 0.073 0.000 0.801 215 E CB -1.006 28.731 29.700 0.061 0.000 0.746 215 E HN 0.835 nan 8.360 nan 0.000 0.450 216 E N -0.085 120.125 120.200 0.017 0.000 2.152 216 E HA -0.048 4.271 4.350 -0.052 0.000 0.192 216 E C 2.201 178.770 176.600 -0.052 0.000 0.983 216 E CA 1.196 57.586 56.400 -0.017 0.000 0.818 216 E CB -0.120 29.571 29.700 -0.015 0.000 0.758 216 E HN 0.336 nan 8.360 nan 0.000 0.467 217 V N 1.718 121.616 119.914 -0.027 0.000 2.453 217 V HA -0.153 3.935 4.120 -0.052 0.000 0.247 217 V C 2.565 178.498 176.094 -0.269 0.000 1.048 217 V CA 1.571 63.823 62.300 -0.081 0.000 1.049 217 V CB -0.414 31.426 31.823 0.027 0.000 0.672 217 V HN 0.460 nan 8.190 nan 0.000 0.457 218 A N 0.223 122.951 122.820 -0.153 0.000 1.972 218 A HA -0.129 4.160 4.320 -0.052 0.000 0.219 218 A C 2.404 179.793 177.584 -0.325 0.000 1.169 218 A CA 1.890 53.716 52.037 -0.353 0.000 0.635 218 A CB -0.663 18.327 19.000 -0.017 0.000 0.810 218 A HN 0.569 nan 8.150 nan 0.000 0.446 219 A N -0.061 122.649 122.820 -0.183 0.000 2.024 219 A HA -0.061 4.227 4.320 -0.052 0.000 0.220 219 A C 2.028 179.510 177.584 -0.168 0.000 1.164 219 A CA 1.409 53.372 52.037 -0.123 0.000 0.643 219 A CB -0.643 18.310 19.000 -0.077 0.000 0.806 219 A HN 0.516 nan 8.150 nan 0.000 0.451 220 L N -1.785 119.262 121.223 -0.293 0.000 2.189 220 L HA -0.201 4.108 4.340 -0.052 0.000 0.214 220 L C 1.991 178.727 176.870 -0.223 0.000 1.097 220 L CA 0.998 55.663 54.840 -0.291 0.000 0.764 220 L CB -0.628 41.202 42.059 -0.381 0.000 0.900 220 L HN 0.368 nan 8.230 nan 0.000 0.436 221 F N -0.143 119.734 119.950 -0.123 0.000 2.604 221 F HA -0.038 4.459 4.527 -0.051 0.000 0.298 221 F C 2.450 178.190 175.800 -0.100 0.000 1.131 221 F CA 0.438 58.360 58.000 -0.131 0.000 1.457 221 F CB -0.693 38.225 39.000 -0.136 0.000 1.095 221 F HN -0.060 nan 8.300 nan 0.000 0.574 222 R N 0.274 120.808 120.500 0.057 0.000 2.152 222 R HA -0.101 4.208 4.340 -0.052 0.000 0.232 222 R C 0.872 177.170 176.300 -0.003 0.000 1.117 222 R CA 0.557 56.668 56.100 0.018 0.000 0.981 222 R CB -0.301 29.993 30.300 -0.009 0.000 0.870 222 R HN 0.240 nan 8.270 nan 0.000 0.451 223 E N 1.937 122.126 120.200 -0.018 0.000 2.029 223 E HA 0.063 4.381 4.350 -0.052 0.000 0.276 223 E C -0.828 175.755 176.600 -0.028 0.000 1.163 223 E CA -0.165 56.214 56.400 -0.034 0.000 0.909 223 E CB 0.604 30.268 29.700 -0.059 0.000 1.046 223 E HN -0.020 nan 8.360 nan 0.000 0.406 224 V N 2.403 122.304 119.914 -0.022 0.000 2.919 224 V HA 0.408 4.497 4.120 -0.052 0.000 0.316 224 V C 0.392 176.478 176.094 -0.013 0.000 1.077 224 V CA -0.881 61.410 62.300 -0.015 0.000 0.977 224 V CB 1.940 33.758 31.823 -0.008 0.000 1.039 224 V HN 0.656 nan 8.190 nan 0.000 0.441 225 N N 1.806 120.505 118.700 -0.003 0.000 2.230 225 N HA 0.106 4.815 4.740 -0.052 0.000 0.202 225 N C 0.176 175.705 175.510 0.031 0.000 1.119 225 N CA -0.356 52.698 53.050 0.007 0.000 0.851 225 N CB 0.063 38.552 38.487 0.004 0.000 0.990 225 N HN 0.723 nan 8.380 nan 0.000 0.497 226 L N 1.462 122.705 121.223 0.032 0.000 2.593 226 L HA 0.188 4.497 4.340 -0.052 0.000 0.287 226 L C 1.422 178.345 176.870 0.087 0.000 1.243 226 L CA 1.823 56.697 54.840 0.058 0.000 0.890 226 L CB -0.269 41.809 42.059 0.031 0.000 1.134 226 L HN 0.580 nan 8.230 nan 0.000 0.502 227 G N 2.730 111.634 108.800 0.172 0.000 2.168 227 G HA2 -0.281 3.648 3.960 -0.052 0.000 0.263 227 G HA3 -0.281 3.648 3.960 -0.052 0.000 0.263 227 G C 0.873 175.861 174.900 0.146 0.000 0.977 227 G CA 0.569 45.825 45.100 0.260 0.000 0.659 227 G HN 1.360 nan 8.290 nan 0.000 0.533 228 G N 0.216 109.072 108.800 0.093 0.000 2.776 228 G HA2 0.461 4.390 3.960 -0.052 0.000 0.209 228 G HA3 0.461 4.390 3.960 -0.052 0.000 0.209 228 G C 1.175 176.106 174.900 0.052 0.000 1.145 228 G CA 1.773 46.910 45.100 0.061 0.000 0.791 228 G HN 2.314 nan 8.290 nan 0.000 0.530 241 Y N 1.934 122.232 120.300 -0.002 0.000 2.224 241 Y HA 0.078 4.596 4.550 -0.052 0.000 0.289 241 Y C 2.466 178.370 175.900 0.007 0.000 1.146 241 Y CA 2.440 60.542 58.100 0.003 0.000 1.182 241 Y CB -0.285 38.179 38.460 0.008 0.000 0.983 241 Y HN 0.494 nan 8.280 nan 0.000 0.524 242 A N 0.911 123.756 122.820 0.042 0.000 1.845 242 A HA -0.210 4.079 4.320 -0.052 0.000 0.215 242 A C 2.215 179.731 177.584 -0.114 0.000 1.195 242 A CA 2.707 54.726 52.037 -0.030 0.000 0.616 242 A CB -1.685 17.355 19.000 0.066 0.000 0.832 242 A HN 0.590 nan 8.150 nan 0.000 0.443 243 E N -0.747 119.413 120.200 -0.066 0.000 2.130 243 E HA -0.315 4.004 4.350 -0.052 0.000 0.196 243 E C 1.961 178.500 176.600 -0.101 0.000 0.998 243 E CA 2.083 58.444 56.400 -0.066 0.000 0.806 243 E CB -0.737 28.940 29.700 -0.038 0.000 0.738 243 E HN 0.751 nan 8.360 nan 0.000 0.459 244 Q N -0.421 119.291 119.800 -0.147 0.000 2.046 244 Q HA 0.138 4.447 4.340 -0.052 0.000 0.200 244 Q C 2.387 178.266 176.000 -0.200 0.000 0.975 244 Q CA 2.107 57.814 55.803 -0.160 0.000 0.836 244 Q CB -0.488 28.152 28.738 -0.164 0.000 0.896 244 Q HN 0.545 nan 8.270 nan 0.000 0.428 245 A N 0.223 122.833 122.820 -0.350 0.000 1.933 245 A HA -0.147 4.142 4.320 -0.052 0.000 0.218 245 A C 2.120 179.614 177.584 -0.150 0.000 1.175 245 A CA 1.445 53.297 52.037 -0.308 0.000 0.628 245 A CB -0.763 17.938 19.000 -0.499 0.000 0.814 245 A HN 0.500 nan 8.150 nan 0.000 0.444 246 I N -0.651 119.842 120.570 -0.129 0.000 2.315 246 I HA -0.194 3.945 4.170 -0.052 0.000 0.248 246 I C 2.328 178.411 176.117 -0.056 0.000 1.117 246 I CA 0.942 62.198 61.300 -0.073 0.000 1.404 246 I CB -0.244 37.721 38.000 -0.059 0.000 1.071 246 I HN 0.162 nan 8.210 nan 0.000 0.419 247 V N 0.857 120.733 119.914 -0.062 0.000 2.295 247 V HA -0.233 3.856 4.120 -0.052 0.000 0.246 247 V C 2.472 178.546 176.094 -0.034 0.000 1.049 247 V CA 1.743 64.017 62.300 -0.043 0.000 1.024 247 V CB -0.592 31.205 31.823 -0.043 0.000 0.648 247 V HN 0.410 nan 8.190 nan 0.000 0.447 248 E N -0.130 120.047 120.200 -0.038 0.000 2.110 248 E HA -0.218 4.101 4.350 -0.052 0.000 0.193 248 E C 2.111 178.702 176.600 -0.014 0.000 0.988 248 E CA 1.065 57.455 56.400 -0.017 0.000 0.804 248 E CB -0.426 29.269 29.700 -0.009 0.000 0.745 248 E HN 0.461 nan 8.360 nan 0.000 0.458 249 L N 1.311 122.518 121.223 -0.026 0.000 2.056 249 L HA -0.075 4.234 4.340 -0.052 0.000 0.207 249 L C 2.185 179.044 176.870 -0.020 0.000 1.078 249 L CA 1.502 56.329 54.840 -0.021 0.000 0.749 249 L CB -0.572 41.472 42.059 -0.025 0.000 0.901 249 L HN -0.107 nan 8.230 nan 0.000 0.433 250 S N -0.338 115.349 115.700 -0.022 0.000 2.365 250 S HA -0.315 4.124 4.470 -0.052 0.000 0.225 250 S C 1.780 176.371 174.600 -0.014 0.000 1.039 250 S CA 1.758 59.947 58.200 -0.019 0.000 1.033 250 S CB -0.424 62.765 63.200 -0.019 0.000 0.887 250 S HN 0.769 nan 8.310 nan 0.000 0.447 251 Q N 1.336 121.129 119.800 -0.012 0.000 2.046 251 Q HA 0.018 4.327 4.340 -0.052 0.000 0.200 251 Q C 1.890 177.886 176.000 -0.007 0.000 0.975 251 Q CA 1.586 57.385 55.803 -0.007 0.000 0.836 251 Q CB -0.744 27.993 28.738 -0.002 0.000 0.896 251 Q HN 0.515 nan 8.270 nan 0.000 0.428 252 I N 1.570 122.136 120.570 -0.006 0.000 2.163 252 I HA -0.305 3.833 4.170 -0.052 0.000 0.243 252 I C 2.551 178.659 176.117 -0.015 0.000 1.085 252 I CA 1.767 63.062 61.300 -0.008 0.000 1.347 252 I CB -0.475 37.522 38.000 -0.004 0.000 1.044 252 I HN 0.513 nan 8.210 nan 0.000 0.408 253 S N 0.223 115.912 115.700 -0.018 0.000 2.461 253 S HA 0.091 4.530 4.470 -0.052 0.000 0.228 253 S C 1.787 176.374 174.600 -0.020 0.000 1.005 253 S CA 0.502 58.688 58.200 -0.023 0.000 0.942 253 S CB 0.007 63.191 63.200 -0.027 0.000 0.776 253 S HN 0.646 nan 8.310 nan 0.000 0.514 254 G N 0.752 109.542 108.800 -0.016 0.000 2.147 254 G HA2 -0.224 3.705 3.960 -0.052 0.000 0.244 254 G HA3 -0.224 3.705 3.960 -0.052 0.000 0.244 254 G C -0.137 174.755 174.900 -0.014 0.000 1.005 254 G CA 0.414 45.506 45.100 -0.014 0.000 0.713 254 G HN 0.605 nan 8.290 nan 0.000 0.515 255 I N 0.307 120.868 120.570 -0.015 0.000 2.498 255 I HA 0.610 4.749 4.170 -0.052 0.000 0.290 255 I C 0.444 176.553 176.117 -0.013 0.000 1.032 255 I CA -0.412 60.880 61.300 -0.012 0.000 1.073 255 I CB 1.889 39.882 38.000 -0.013 0.000 1.251 255 I HN 0.228 nan 8.210 nan 0.000 0.426 256 E N 7.764 127.957 120.200 -0.011 0.000 2.220 256 E HA 0.459 4.778 4.350 -0.052 0.000 0.272 256 E C -0.878 175.714 176.600 -0.014 0.000 1.099 256 E CA -0.033 56.359 56.400 -0.013 0.000 0.907 256 E CB 0.261 29.953 29.700 -0.013 0.000 1.022 256 E HN 0.515 nan 8.360 nan 0.000 0.428 257 L N 1.706 122.919 121.223 -0.016 0.000 2.332 257 L HA 0.730 5.039 4.340 -0.052 0.000 0.269 257 L C 0.373 177.231 176.870 -0.021 0.000 1.016 257 L CA -0.937 53.893 54.840 -0.017 0.000 0.809 257 L CB 1.997 44.045 42.059 -0.018 0.000 1.280 257 L HN 0.528 nan 8.230 nan 0.000 0.447 258 K N 0.537 120.924 120.400 -0.022 0.000 2.523 258 K HA 0.640 4.929 4.320 -0.052 0.000 0.257 258 K C -1.235 175.349 176.600 -0.026 0.000 0.932 258 K CA -0.651 55.621 56.287 -0.025 0.000 0.812 258 K CB 2.253 34.737 32.500 -0.026 0.000 1.326 258 K HN 0.675 nan 8.250 nan 0.000 0.433 259 A N 1.779 124.584 122.820 -0.025 0.000 2.462 259 A HA 0.178 4.467 4.320 -0.052 0.000 0.243 259 A C 0.149 177.716 177.584 -0.029 0.000 1.076 259 A CA 0.199 52.222 52.037 -0.024 0.000 0.773 259 A CB 0.631 19.619 19.000 -0.020 0.000 1.010 259 A HN 0.654 nan 8.150 nan 0.000 0.493 260 T N 1.217 115.752 114.554 -0.032 0.000 2.919 260 T HA 0.377 4.696 4.350 -0.052 0.000 0.302 260 T C 1.568 176.245 174.700 -0.039 0.000 1.031 260 T CA 0.399 62.473 62.100 -0.044 0.000 1.127 260 T CB 0.696 69.529 68.868 -0.058 0.000 0.952 260 T HN 0.852 nan 8.240 nan 0.000 0.540 261 G N 3.913 112.686 108.800 -0.045 0.000 2.408 261 G HA2 -0.055 3.874 3.960 -0.052 0.000 0.217 261 G HA3 -0.055 3.874 3.960 -0.052 0.000 0.217 261 G C 0.783 175.662 174.900 -0.035 0.000 1.150 261 G CA 0.113 45.191 45.100 -0.037 0.000 0.776 261 G HN 0.685 nan 8.290 nan 0.000 0.542 262 N N 0.076 118.746 118.700 -0.050 0.000 2.442 262 N HA 0.336 5.044 4.740 -0.052 0.000 0.274 262 N C 0.970 176.445 175.510 -0.058 0.000 1.002 262 N CA -0.350 52.670 53.050 -0.049 0.000 0.910 262 N CB 1.926 40.377 38.487 -0.061 0.000 1.244 262 N HN -0.013 nan 8.380 nan 0.000 0.492 263 L N 2.597 123.801 121.223 -0.033 0.000 2.095 263 L HA -0.020 4.288 4.340 -0.052 0.000 0.204 263 L C 2.017 178.873 176.870 -0.024 0.000 1.080 263 L CA 0.730 55.555 54.840 -0.025 0.000 0.759 263 L CB -0.066 41.993 42.059 -0.000 0.000 0.914 263 L HN 0.353 nan 8.230 nan 0.000 0.439 264 V N 0.022 119.935 119.914 -0.003 0.000 2.332 264 V HA -0.311 3.778 4.120 -0.052 0.000 0.248 264 V C 2.457 178.539 176.094 -0.019 0.000 1.055 264 V CA 2.033 64.354 62.300 0.034 0.000 1.038 264 V CB -0.570 31.293 31.823 0.068 0.000 0.651 264 V HN 0.515 nan 8.190 nan 0.000 0.450 265 E N 0.518 120.650 120.200 -0.114 0.000 2.051 265 E HA -0.239 4.080 4.350 -0.052 0.000 0.192 265 E C 2.261 178.546 176.600 -0.524 0.000 0.991 265 E CA 1.450 57.645 56.400 -0.341 0.000 0.799 265 E CB -0.226 29.319 29.700 -0.258 0.000 0.748 265 E HN 0.550 nan 8.360 nan 0.000 0.449 266 A N 1.012 123.659 122.820 -0.287 0.000 1.972 266 A HA -0.205 4.084 4.320 -0.052 0.000 0.219 266 A C 2.308 179.775 177.584 -0.195 0.000 1.169 266 A CA 2.010 53.902 52.037 -0.241 0.000 0.635 266 A CB -0.761 18.161 19.000 -0.131 0.000 0.810 266 A HN 0.478 nan 8.150 nan 0.000 0.446 267 S N -0.345 115.283 115.700 -0.121 0.000 2.383 267 S HA -0.184 4.255 4.470 -0.052 0.000 0.229 267 S C 1.675 176.346 174.600 0.118 0.000 1.030 267 S CA 1.333 59.550 58.200 0.028 0.000 1.002 267 S CB -0.747 62.514 63.200 0.101 0.000 0.829 267 S HN 1.012 nan 8.310 nan 0.000 0.467 268 W N 0.928 122.244 121.300 0.026 0.000 3.008 268 W HA 0.456 5.084 4.660 -0.053 0.000 0.355 268 W C -0.525 176.022 176.519 0.046 0.000 1.095 268 W CA -0.532 56.834 57.345 0.036 0.000 1.738 268 W CB -0.734 28.742 29.460 0.027 0.000 1.091 268 W HN 0.129 nan 8.180 nan 0.000 0.574 269 D N 2.822 123.044 120.400 -0.296 0.000 2.401 269 D HA 0.076 4.685 4.640 -0.052 0.000 0.254 269 D C 1.137 177.376 176.300 -0.101 0.000 1.192 269 D CA 1.158 54.953 54.000 -0.341 0.000 0.885 269 D CB 1.349 41.855 40.800 -0.490 0.000 1.147 269 D HN 0.045 nan 8.370 nan 0.000 0.478 270 T N -0.148 114.423 114.554 0.029 0.000 3.145 270 T HA 0.279 4.598 4.350 -0.052 0.000 0.281 270 T C 1.734 176.456 174.700 0.037 0.000 1.003 270 T CA -0.096 62.070 62.100 0.110 0.000 0.901 270 T CB 0.564 69.659 68.868 0.378 0.000 1.112 270 T HN 0.280 nan 8.240 nan 0.000 0.535 271 G N 1.813 110.583 108.800 -0.050 0.000 2.442 271 G HA2 -0.026 3.903 3.960 -0.052 0.000 0.219 271 G HA3 -0.026 3.903 3.960 -0.052 0.000 0.219 271 G C 1.677 176.560 174.900 -0.028 0.000 1.141 271 G CA 0.759 45.847 45.100 -0.019 0.000 0.763 271 G HN 0.699 nan 8.290 nan 0.000 0.554 272 A N 0.422 123.155 122.820 -0.145 0.000 1.929 272 A HA 0.202 4.491 4.320 -0.052 0.000 0.216 272 A C 2.116 179.817 177.584 0.195 0.000 1.176 272 A CA 1.285 53.257 52.037 -0.109 0.000 0.628 272 A CB -0.457 18.395 19.000 -0.247 0.000 0.816 272 A HN 0.240 nan 8.150 nan 0.000 0.444 273 F N 0.263 120.416 119.950 0.338 0.000 2.126 273 F HA -0.156 4.341 4.527 -0.051 0.000 0.299 273 F C 2.460 178.417 175.800 0.261 0.000 1.096 273 F CA 1.062 59.264 58.000 0.335 0.000 1.255 273 F CB -1.257 37.861 39.000 0.196 0.000 0.997 273 F HN 0.033 nan 8.300 nan 0.000 0.479 274 V N -0.467 119.653 119.914 0.343 0.000 2.307 274 V HA -0.273 3.816 4.120 -0.052 0.000 0.245 274 V C 2.280 178.478 176.094 0.173 0.000 1.045 274 V CA 2.336 64.770 62.300 0.223 0.000 1.024 274 V CB -1.311 30.610 31.823 0.163 0.000 0.651 274 V HN 0.363 nan 8.190 nan 0.000 0.449 275 T N 0.218 114.860 114.554 0.146 0.000 2.684 275 T HA -0.216 4.103 4.350 -0.052 0.000 0.267 275 T C 1.714 176.497 174.700 0.138 0.000 1.036 275 T CA 2.079 64.237 62.100 0.097 0.000 1.148 275 T CB -0.424 68.468 68.868 0.041 0.000 0.863 275 T HN 0.412 nan 8.240 nan 0.000 0.436 276 F N 1.692 121.697 119.950 0.090 0.000 2.113 276 F HA -0.047 4.448 4.527 -0.053 0.000 0.297 276 F C 2.767 178.645 175.800 0.130 0.000 1.103 276 F CA 1.343 59.418 58.000 0.125 0.000 1.248 276 F CB -0.733 38.466 39.000 0.332 0.000 0.999 276 F HN 0.102 nan 8.300 nan 0.000 0.475 277 S N -0.090 115.734 115.700 0.208 0.000 2.402 277 S HA -0.165 4.273 4.470 -0.052 0.000 0.233 277 S C 2.325 176.905 174.600 -0.033 0.000 1.030 277 S CA 1.546 59.781 58.200 0.059 0.000 1.003 277 S CB -1.193 62.089 63.200 0.138 0.000 0.813 277 S HN 0.557 nan 8.310 nan 0.000 0.477 278 G N 0.620 109.418 108.800 -0.003 0.000 2.443 278 G HA2 -0.034 3.895 3.960 -0.052 0.000 0.219 278 G HA3 -0.034 3.895 3.960 -0.052 0.000 0.219 278 G C 1.313 176.169 174.900 -0.073 0.000 1.131 278 G CA 0.784 45.872 45.100 -0.020 0.000 0.775 278 G HN 0.595 nan 8.290 nan 0.000 0.547 279 I N 0.345 120.830 120.570 -0.141 0.000 2.500 279 I HA 0.031 4.170 4.170 -0.052 0.000 0.252 279 I C 2.514 178.499 176.117 -0.219 0.000 1.142 279 I CA 0.275 61.468 61.300 -0.178 0.000 1.451 279 I CB -0.051 37.829 38.000 -0.200 0.000 1.093 279 I HN 0.088 nan 8.210 nan 0.000 0.430 280 L N 0.166 121.208 121.223 -0.302 0.000 2.012 280 L HA -0.215 4.094 4.340 -0.052 0.000 0.210 280 L C 2.784 179.581 176.870 -0.121 0.000 1.073 280 L CA 1.202 55.907 54.840 -0.226 0.000 0.748 280 L CB -0.758 41.165 42.059 -0.228 0.000 0.891 280 L HN 0.255 nan 8.230 nan 0.000 0.431 281 R N 1.005 121.451 120.500 -0.089 0.000 2.083 281 R HA -0.217 4.092 4.340 -0.052 0.000 0.237 281 R C 2.362 178.636 176.300 -0.043 0.000 1.137 281 R CA 2.007 58.080 56.100 -0.046 0.000 0.951 281 R CB -0.442 29.843 30.300 -0.024 0.000 0.851 281 R HN 0.356 nan 8.270 nan 0.000 0.434 282 R N 0.190 120.657 120.500 -0.055 0.000 2.081 282 R HA -0.079 4.229 4.340 -0.052 0.000 0.235 282 R C 2.428 178.699 176.300 -0.049 0.000 1.131 282 R CA 1.622 57.696 56.100 -0.045 0.000 0.960 282 R CB -0.371 29.900 30.300 -0.047 0.000 0.856 282 R HN 0.260 nan 8.270 nan 0.000 0.436 283 I N 1.194 121.725 120.570 -0.066 0.000 2.286 283 I HA -0.215 3.924 4.170 -0.052 0.000 0.248 283 I C 2.633 178.717 176.117 -0.056 0.000 1.115 283 I CA 1.258 62.522 61.300 -0.061 0.000 1.392 283 I CB -0.337 37.618 38.000 -0.074 0.000 1.065 283 I HN 0.322 nan 8.210 nan 0.000 0.418 284 A N 0.302 123.086 122.820 -0.059 0.000 1.902 284 A HA -0.155 4.133 4.320 -0.052 0.000 0.217 284 A C 2.436 179.987 177.584 -0.053 0.000 1.181 284 A CA 1.738 53.739 52.037 -0.061 0.000 0.623 284 A CB -0.943 18.028 19.000 -0.049 0.000 0.818 284 A HN 0.240 nan 8.150 nan 0.000 0.443 285 V N 0.002 119.898 119.914 -0.031 0.000 2.343 285 V HA -0.273 3.816 4.120 -0.052 0.000 0.247 285 V C 2.467 178.543 176.094 -0.031 0.000 1.051 285 V CA 2.419 64.711 62.300 -0.015 0.000 1.036 285 V CB -0.625 31.196 31.823 -0.003 0.000 0.654 285 V HN 0.564 nan 8.190 nan 0.000 0.451 286 K N -0.532 119.844 120.400 -0.040 0.000 2.031 286 K HA -0.115 4.174 4.320 -0.052 0.000 0.205 286 K C 2.079 178.632 176.600 -0.077 0.000 1.049 286 K CA 1.131 57.389 56.287 -0.048 0.000 0.939 286 K CB -0.352 32.126 32.500 -0.037 0.000 0.717 286 K HN 0.211 nan 8.250 nan 0.000 0.438 287 L N 1.065 122.244 121.223 -0.073 0.000 2.083 287 L HA -0.135 4.174 4.340 -0.052 0.000 0.209 287 L C 2.341 179.137 176.870 -0.123 0.000 1.083 287 L CA 1.608 56.397 54.840 -0.085 0.000 0.752 287 L CB -0.631 41.387 42.059 -0.067 0.000 0.899 287 L HN 0.055 nan 8.230 nan 0.000 0.433 288 S N -1.072 114.554 115.700 -0.124 0.000 2.368 288 S HA -0.187 4.252 4.470 -0.052 0.000 0.224 288 S C 2.165 176.700 174.600 -0.109 0.000 1.029 288 S CA 1.116 59.227 58.200 -0.149 0.000 0.988 288 S CB -0.306 62.799 63.200 -0.158 0.000 0.838 288 S HN 0.361 nan 8.310 nan 0.000 0.462 289 K N 1.271 121.620 120.400 -0.085 0.000 2.097 289 K HA -0.009 4.279 4.320 -0.052 0.000 0.206 289 K C 1.954 178.469 176.600 -0.142 0.000 1.049 289 K CA 1.374 57.617 56.287 -0.073 0.000 0.933 289 K CB -0.666 31.807 32.500 -0.045 0.000 0.717 289 K HN 0.501 nan 8.250 nan 0.000 0.442 290 I N 0.818 121.244 120.570 -0.240 0.000 2.202 290 I HA -0.241 3.897 4.170 -0.052 0.000 0.242 290 I C 2.488 178.355 176.117 -0.417 0.000 1.091 290 I CA 1.116 62.103 61.300 -0.521 0.000 1.368 290 I CB -0.408 37.166 38.000 -0.711 0.000 1.058 290 I HN 0.106 nan 8.210 nan 0.000 0.410 291 A N 1.287 123.962 122.820 -0.242 0.000 1.892 291 A HA -0.262 4.027 4.320 -0.052 0.000 0.218 291 A C 2.051 179.571 177.584 -0.108 0.000 1.188 291 A CA 2.250 54.197 52.037 -0.149 0.000 0.631 291 A CB -0.833 18.095 19.000 -0.120 0.000 0.822 291 A HN 0.441 nan 8.150 nan 0.000 0.447 292 N N 0.629 119.274 118.700 -0.091 0.000 2.104 292 N HA -0.152 4.556 4.740 -0.052 0.000 0.190 292 N C 1.201 176.689 175.510 -0.038 0.000 1.024 292 N CA 1.688 54.713 53.050 -0.042 0.000 0.853 292 N CB -0.622 37.855 38.487 -0.016 0.000 1.008 292 N HN 0.472 nan 8.380 nan 0.000 0.424 293 D N 0.736 121.096 120.400 -0.066 0.000 2.123 293 D HA -0.073 4.536 4.640 -0.052 0.000 0.196 293 D C 2.184 178.478 176.300 -0.010 0.000 0.992 293 D CA 0.518 54.504 54.000 -0.023 0.000 0.833 293 D CB -0.353 40.452 40.800 0.008 0.000 0.954 293 D HN 0.232 nan 8.370 nan 0.000 0.455 294 L N 0.345 121.530 121.223 -0.063 0.000 2.046 294 L HA -0.125 4.184 4.340 -0.052 0.000 0.208 294 L C 2.551 179.442 176.870 0.036 0.000 1.077 294 L CA 1.092 55.938 54.840 0.011 0.000 0.747 294 L CB -0.259 41.800 42.059 0.001 0.000 0.896 294 L HN -0.014 nan 8.230 nan 0.000 0.432 295 R N -0.412 120.094 120.500 0.011 0.000 2.081 295 R HA -0.172 4.136 4.340 -0.052 0.000 0.235 295 R C 2.183 178.498 176.300 0.025 0.000 1.131 295 R CA 1.132 57.244 56.100 0.019 0.000 0.960 295 R CB -0.513 29.793 30.300 0.010 0.000 0.856 295 R HN 0.192 nan 8.270 nan 0.000 0.436 296 L N 1.071 122.307 121.223 0.022 0.000 2.072 296 L HA -0.051 4.258 4.340 -0.052 0.000 0.205 296 L C 1.943 178.832 176.870 0.032 0.000 1.079 296 L CA 1.511 56.365 54.840 0.024 0.000 0.752 296 L CB -0.308 41.763 42.059 0.019 0.000 0.906 296 L HN 0.112 nan 8.230 nan 0.000 0.436 297 L N -0.760 120.491 121.223 0.046 0.000 2.201 297 L HA -0.107 4.202 4.340 -0.052 0.000 0.212 297 L C 2.150 179.053 176.870 0.055 0.000 1.105 297 L CA 1.259 56.134 54.840 0.058 0.000 0.775 297 L CB -0.545 41.574 42.059 0.099 0.000 0.913 297 L HN 0.492 nan 8.230 nan 0.000 0.440 298 S N -1.659 114.075 115.700 0.057 0.000 2.556 298 S HA 0.063 4.502 4.470 -0.052 0.000 0.216 298 S C 0.877 175.497 174.600 0.033 0.000 0.970 298 S CA -0.360 57.870 58.200 0.050 0.000 0.912 298 S CB -0.341 62.897 63.200 0.063 0.000 0.790 298 S HN 0.344 nan 8.310 nan 0.000 0.504 299 S N 0.682 116.399 115.700 0.028 0.000 2.563 299 S HA 0.615 5.053 4.470 -0.052 0.000 0.284 299 S C 0.839 175.449 174.600 0.017 0.000 1.331 299 S CA 0.096 58.308 58.200 0.021 0.000 1.047 299 S CB 0.510 63.721 63.200 0.018 0.000 0.859 299 S HN 1.356 nan 8.310 nan 0.000 0.514 300 G N 1.799 110.608 108.800 0.015 0.000 2.292 300 G HA2 0.182 4.111 3.960 -0.052 0.000 0.194 300 G HA3 0.182 4.111 3.960 -0.052 0.000 0.194 300 G C -2.459 172.448 174.900 0.011 0.000 1.329 300 G CA -0.177 44.930 45.100 0.011 0.000 1.100 300 G HN 0.625 nan 8.290 nan 0.000 0.470 301 P HA 0.237 nan 4.420 nan 0.000 0.240 301 P C 1.303 178.606 177.300 0.006 0.000 1.190 301 P CA 0.630 63.736 63.100 0.009 0.000 0.781 301 P CB 0.328 32.033 31.700 0.009 0.000 0.931 302 R N -0.810 119.693 120.500 0.006 0.000 2.221 302 R HA 0.249 4.558 4.340 -0.052 0.000 0.195 302 R C 1.280 177.583 176.300 0.004 0.000 0.956 302 R CA 0.597 56.700 56.100 0.004 0.000 1.064 302 R CB 0.072 30.374 30.300 0.003 0.000 1.049 302 R HN -0.058 nan 8.270 nan 0.000 0.534 303 S N 0.059 115.762 115.700 0.005 0.000 2.562 303 S HA 0.382 4.821 4.470 -0.052 0.000 0.246 303 S C 0.170 174.773 174.600 0.006 0.000 1.056 303 S CA -0.325 57.878 58.200 0.005 0.000 1.042 303 S CB 1.377 64.579 63.200 0.004 0.000 0.822 303 S HN 0.437 nan 8.310 nan 0.000 0.465 304 G N 0.715 109.519 108.800 0.007 0.000 3.234 304 G HA2 0.519 4.448 3.960 -0.052 0.000 0.159 304 G HA3 0.519 4.448 3.960 -0.052 0.000 0.159 304 G C 0.475 175.380 174.900 0.008 0.000 1.175 304 G CA -0.583 44.523 45.100 0.009 0.000 0.900 304 G HN 0.263 nan 8.290 nan 0.000 0.621 305 L N 0.509 121.739 121.223 0.010 0.000 2.209 305 L HA 0.196 4.505 4.340 -0.052 0.000 0.207 305 L C 2.177 179.051 176.870 0.006 0.000 1.094 305 L CA 0.795 55.641 54.840 0.009 0.000 0.790 305 L CB -0.583 41.484 42.059 0.013 0.000 0.932 305 L HN 0.804 nan 8.230 nan 0.000 0.447 306 G N 0.892 109.697 108.800 0.009 0.000 2.321 306 G HA2 -0.306 3.623 3.960 -0.052 0.000 0.287 306 G HA3 -0.306 3.623 3.960 -0.052 0.000 0.287 306 G C 0.733 175.631 174.900 -0.003 0.000 1.018 306 G CA 0.827 45.930 45.100 0.005 0.000 0.855 306 G HN 0.519 nan 8.290 nan 0.000 0.507 307 E N -0.970 119.230 120.200 0.000 0.000 2.190 307 E HA 0.189 4.507 4.350 -0.052 0.000 0.191 307 E C 1.588 178.165 176.600 -0.038 0.000 0.978 307 E CA 1.050 57.440 56.400 -0.018 0.000 0.839 307 E CB 0.219 29.916 29.700 -0.005 0.000 0.787 307 E HN 0.894 nan 8.360 nan 0.000 0.473 308 I N -2.078 118.493 120.570 0.001 0.000 3.042 308 I HA 0.500 4.638 4.170 -0.052 0.000 0.310 308 I C -0.968 175.166 176.117 0.028 0.000 1.117 308 I CA -1.335 59.963 61.300 -0.002 0.000 1.003 308 I CB 2.128 40.179 38.000 0.085 0.000 1.228 308 I HN -0.309 nan 8.210 nan 0.000 0.443 309 R N 3.930 124.449 120.500 0.032 0.000 2.494 309 R HA 0.676 4.984 4.340 -0.052 0.000 0.305 309 R C -1.259 175.084 176.300 0.071 0.000 0.959 309 R CA -0.847 55.279 56.100 0.044 0.000 0.864 309 R CB 2.130 32.448 30.300 0.029 0.000 1.159 309 R HN 0.561 nan 8.270 nan 0.000 0.446 310 L N 3.311 124.577 121.223 0.072 0.000 2.379 310 L HA 0.439 4.747 4.340 -0.052 0.000 0.269 310 L C -1.926 174.978 176.870 0.057 0.000 1.084 310 L CA -2.386 52.502 54.840 0.080 0.000 0.802 310 L CB 0.729 42.833 42.059 0.075 0.000 1.175 310 L HN 0.240 nan 8.230 nan 0.000 0.448 311 P HA 0.054 nan 4.420 nan 0.000 0.265 311 P C -0.791 176.527 177.300 0.030 0.000 1.193 311 P CA -0.223 62.900 63.100 0.037 0.000 0.765 311 P CB 0.604 32.324 31.700 0.032 0.000 0.823 312 A N 3.154 125.988 122.820 0.024 0.000 2.350 312 A HA 0.334 4.623 4.320 -0.052 0.000 0.293 312 A C 1.063 178.657 177.584 0.016 0.000 1.231 312 A CA -0.266 51.783 52.037 0.020 0.000 0.883 312 A CB -0.350 18.661 19.000 0.018 0.000 1.133 312 A HN 0.492 nan 8.150 nan 0.000 0.533 313 V N 0.086 120.009 119.914 0.015 0.000 3.661 313 V HA 0.261 4.350 4.120 -0.052 0.000 0.271 313 V C 0.449 176.549 176.094 0.011 0.000 1.315 313 V CA 0.411 62.718 62.300 0.012 0.000 1.072 313 V CB -0.869 30.961 31.823 0.011 0.000 0.830 313 V HN 0.708 nan 8.190 nan 0.000 0.443 314 Q N 1.840 121.647 119.800 0.012 0.000 2.365 314 Q HA 0.611 4.920 4.340 -0.052 0.000 0.269 314 Q C -2.555 173.452 176.000 0.011 0.000 1.061 314 Q CA -1.788 54.022 55.803 0.011 0.000 0.816 314 Q CB 2.484 31.228 28.738 0.011 0.000 1.325 314 Q HN 0.378 nan 8.270 nan 0.000 0.446 315 P HA 0.249 nan 4.420 nan 0.000 0.272 315 P C -0.579 176.726 177.300 0.009 0.000 1.230 315 P CA -0.227 62.879 63.100 0.009 0.000 0.788 315 P CB 0.921 32.626 31.700 0.008 0.000 0.949 316 G N -0.331 108.475 108.800 0.009 0.000 3.107 316 G HA2 0.478 4.407 3.960 -0.052 0.000 0.232 316 G HA3 0.478 4.407 3.960 -0.052 0.000 0.232 316 G C -1.094 173.811 174.900 0.008 0.000 1.339 316 G CA -0.502 44.603 45.100 0.009 0.000 1.033 316 G HN 0.584 nan 8.290 nan 0.000 0.567 317 S N -1.243 114.461 115.700 0.008 0.000 2.475 317 S HA 0.401 4.840 4.470 -0.052 0.000 0.298 317 S C 1.656 176.259 174.600 0.007 0.000 1.119 317 S CA 0.266 58.470 58.200 0.007 0.000 1.085 317 S CB 1.375 64.579 63.200 0.007 0.000 1.028 317 S HN 0.994 nan 8.310 nan 0.000 0.489 318 S N 4.586 120.290 115.700 0.006 0.000 2.400 318 S HA -0.132 4.307 4.470 -0.052 0.000 0.232 318 S C 1.595 176.198 174.600 0.005 0.000 1.025 318 S CA 1.125 59.329 58.200 0.006 0.000 0.993 318 S CB -0.541 62.662 63.200 0.005 0.000 0.808 318 S HN 0.777 nan 8.310 nan 0.000 0.478 319 I N -0.200 120.373 120.570 0.005 0.000 3.251 319 I HA 0.208 4.346 4.170 -0.052 0.000 0.277 319 I C 0.533 176.653 176.117 0.005 0.000 1.268 319 I CA 0.576 61.879 61.300 0.005 0.000 1.449 319 I CB 0.112 38.114 38.000 0.005 0.000 1.083 319 I HN 0.255 nan 8.210 nan 0.000 0.464 320 M N 2.717 122.321 119.600 0.006 0.000 3.106 320 M HA 0.360 4.809 4.480 -0.052 0.000 0.213 320 M C -2.430 173.874 176.300 0.007 0.000 1.117 320 M CA -1.999 53.305 55.300 0.007 0.000 0.900 320 M CB -0.245 32.360 32.600 0.007 0.000 1.339 320 M HN -0.122 nan 8.290 nan 0.000 0.542 321 P HA 0.378 nan 4.420 nan 0.000 0.274 321 P C 0.944 178.249 177.300 0.008 0.000 1.256 321 P CA 0.571 63.676 63.100 0.008 0.000 0.795 321 P CB 0.946 32.650 31.700 0.007 0.000 1.038 322 G N -0.076 108.730 108.800 0.009 0.000 2.328 322 G HA2 -0.313 3.615 3.960 -0.052 0.000 0.256 322 G HA3 -0.313 3.615 3.960 -0.052 0.000 0.256 322 G C 0.355 175.262 174.900 0.011 0.000 1.014 322 G CA 0.709 45.815 45.100 0.010 0.000 0.620 322 G HN 0.809 nan 8.290 nan 0.000 0.530 323 K N 0.740 121.147 120.400 0.011 0.000 2.378 323 K HA 0.457 4.745 4.320 -0.052 0.000 0.288 323 K C -0.363 176.246 176.600 0.014 0.000 1.057 323 K CA -0.092 56.203 56.287 0.012 0.000 0.971 323 K CB 0.520 33.026 32.500 0.011 0.000 0.975 323 K HN 0.154 nan 8.250 nan 0.000 0.475 324 V N 5.418 125.342 119.914 0.017 0.000 2.340 324 V HA 0.139 4.228 4.120 -0.052 0.000 0.277 324 V C -0.657 175.449 176.094 0.020 0.000 1.017 324 V CA -1.232 61.079 62.300 0.019 0.000 0.820 324 V CB 0.949 32.786 31.823 0.023 0.000 1.028 324 V HN 0.790 nan 8.190 nan 0.000 0.436 325 N N 6.341 125.052 118.700 0.018 0.000 2.483 325 N HA 0.207 4.916 4.740 -0.052 0.000 0.264 325 N C -2.174 173.348 175.510 0.020 0.000 1.197 325 N CA -1.196 51.865 53.050 0.018 0.000 0.927 325 N CB 1.285 39.781 38.487 0.016 0.000 1.065 325 N HN 0.386 nan 8.380 nan 0.000 0.461 326 P HA 0.047 nan 4.420 nan 0.000 0.219 326 P C 1.103 178.412 177.300 0.015 0.000 1.832 326 P CA -0.269 62.845 63.100 0.022 0.000 1.014 326 P CB -0.092 31.622 31.700 0.024 0.000 1.939 327 V N -0.333 119.589 119.914 0.014 0.000 2.515 327 V HA -0.162 3.926 4.120 -0.052 0.000 0.250 327 V C 1.998 178.093 176.094 0.003 0.000 1.058 327 V CA 1.147 63.453 62.300 0.009 0.000 1.064 327 V CB -1.186 30.643 31.823 0.010 0.000 0.675 327 V HN 0.087 nan 8.190 nan 0.000 0.461 328 I N 0.819 121.391 120.570 0.004 0.000 2.163 328 I HA -0.044 4.095 4.170 -0.052 0.000 0.240 328 I C 0.398 176.506 176.117 -0.015 0.000 1.081 328 I CA 1.587 62.884 61.300 -0.004 0.000 1.353 328 I CB -2.689 35.311 38.000 0.000 0.000 1.054 328 I HN 0.331 nan 8.210 nan 0.000 0.407 329 P HA -0.175 nan 4.420 nan 0.000 0.216 329 P C 1.547 178.822 177.300 -0.041 0.000 1.150 329 P CA 1.507 64.590 63.100 -0.028 0.000 0.843 329 P CB -0.025 31.666 31.700 -0.015 0.000 0.787 330 E N -0.467 119.719 120.200 -0.022 0.000 2.077 330 E HA -0.164 4.155 4.350 -0.052 0.000 0.193 330 E C 2.202 178.782 176.600 -0.034 0.000 0.989 330 E CA 1.751 58.140 56.400 -0.019 0.000 0.800 330 E CB -0.432 29.270 29.700 0.003 0.000 0.746 330 E HN 0.326 nan 8.360 nan 0.000 0.452 331 S N 0.402 116.085 115.700 -0.028 0.000 2.368 331 S HA -0.144 4.295 4.470 -0.052 0.000 0.225 331 S C 2.206 176.769 174.600 -0.062 0.000 1.030 331 S CA 1.210 59.390 58.200 -0.032 0.000 0.999 331 S CB -0.590 62.599 63.200 -0.019 0.000 0.844 331 S HN 0.066 nan 8.310 nan 0.000 0.459 332 V N 3.210 123.079 119.914 -0.075 0.000 2.295 332 V HA -0.233 3.855 4.120 -0.052 0.000 0.246 332 V C 2.470 178.451 176.094 -0.188 0.000 1.049 332 V CA 2.297 64.533 62.300 -0.107 0.000 1.024 332 V CB -1.533 30.235 31.823 -0.090 0.000 0.648 332 V HN 0.543 nan 8.190 nan 0.000 0.447 333 N N -0.240 118.325 118.700 -0.225 0.000 2.060 333 N HA -0.268 4.440 4.740 -0.052 0.000 0.195 333 N C 1.967 177.113 175.510 -0.608 0.000 1.028 333 N CA 1.727 54.511 53.050 -0.443 0.000 0.861 333 N CB -0.221 38.092 38.487 -0.291 0.000 1.029 333 N HN 0.578 nan 8.380 nan 0.000 0.428 334 Q N 0.203 119.855 119.800 -0.247 0.000 2.050 334 Q HA -0.123 4.186 4.340 -0.052 0.000 0.202 334 Q C 2.201 178.150 176.000 -0.084 0.000 0.980 334 Q CA 1.250 57.002 55.803 -0.086 0.000 0.840 334 Q CB -0.156 28.582 28.738 -0.000 0.000 0.898 334 Q HN 0.234 nan 8.270 nan 0.000 0.424 335 V N 0.332 120.186 119.914 -0.099 0.000 2.332 335 V HA -0.349 3.740 4.120 -0.052 0.000 0.248 335 V C 2.359 178.395 176.094 -0.097 0.000 1.055 335 V CA 1.635 63.891 62.300 -0.073 0.000 1.038 335 V CB -0.533 31.248 31.823 -0.069 0.000 0.651 335 V HN 0.541 nan 8.190 nan 0.000 0.450 336 C N -0.995 118.187 119.300 -0.196 0.000 2.429 336 C HA -0.161 4.268 4.460 -0.052 0.000 0.277 336 C C 2.574 177.515 174.990 -0.082 0.000 1.262 336 C CA 0.623 59.524 59.018 -0.196 0.000 1.733 336 C CB -1.127 26.433 27.740 -0.300 0.000 2.010 336 C HN 0.604 nan 8.230 nan 0.000 0.483 337 Y N 0.879 121.171 120.300 -0.012 0.000 2.242 337 Y HA -0.158 4.361 4.550 -0.053 0.000 0.291 337 Y C 2.569 178.466 175.900 -0.005 0.000 1.137 337 Y CA 1.464 59.560 58.100 -0.008 0.000 1.181 337 Y CB -1.337 37.121 38.460 -0.005 0.000 0.989 337 Y HN 0.330 nan 8.280 nan 0.000 0.527 338 Q N 0.306 120.185 119.800 0.132 0.000 2.050 338 Q HA -0.121 4.188 4.340 -0.052 0.000 0.202 338 Q C 2.287 178.312 176.000 0.042 0.000 0.980 338 Q CA 1.870 57.718 55.803 0.074 0.000 0.840 338 Q CB -0.591 28.173 28.738 0.044 0.000 0.898 338 Q HN 0.282 nan 8.270 nan 0.000 0.424 339 V N 0.357 120.282 119.914 0.018 0.000 2.343 339 V HA -0.259 3.830 4.120 -0.052 0.000 0.247 339 V C 2.181 178.284 176.094 0.015 0.000 1.051 339 V CA 1.840 64.138 62.300 -0.003 0.000 1.036 339 V CB -0.505 31.301 31.823 -0.028 0.000 0.654 339 V HN 0.406 nan 8.190 nan 0.000 0.451 340 I N 0.492 121.088 120.570 0.044 0.000 2.286 340 I HA -0.144 3.995 4.170 -0.052 0.000 0.248 340 I C 2.538 178.683 176.117 0.047 0.000 1.115 340 I CA 1.614 62.945 61.300 0.052 0.000 1.392 340 I CB -0.845 37.209 38.000 0.089 0.000 1.065 340 I HN 0.399 nan 8.210 nan 0.000 0.418 341 G N 0.795 109.628 108.800 0.055 0.000 2.402 341 G HA2 -0.216 3.713 3.960 -0.052 0.000 0.216 341 G HA3 -0.216 3.713 3.960 -0.052 0.000 0.216 341 G C 1.398 176.321 174.900 0.038 0.000 1.162 341 G CA 0.541 45.667 45.100 0.045 0.000 0.777 341 G HN 0.287 nan 8.290 nan 0.000 0.539 342 N N 0.844 119.562 118.700 0.030 0.000 2.223 342 N HA -0.079 4.630 4.740 -0.052 0.000 0.185 342 N C 1.731 177.252 175.510 0.019 0.000 1.016 342 N CA 1.337 54.396 53.050 0.015 0.000 0.863 342 N CB -0.341 38.136 38.487 -0.018 0.000 0.983 342 N HN 0.419 nan 8.380 nan 0.000 0.429 343 D N 0.089 120.503 120.400 0.022 0.000 2.117 343 D HA -0.097 4.512 4.640 -0.052 0.000 0.198 343 D C 1.881 178.206 176.300 0.041 0.000 0.982 343 D CA 0.373 54.392 54.000 0.032 0.000 0.828 343 D CB -0.071 40.744 40.800 0.024 0.000 0.967 343 D HN 0.071 nan 8.370 nan 0.000 0.464 344 L N 0.364 121.609 121.223 0.036 0.000 2.017 344 L HA -0.108 4.201 4.340 -0.052 0.000 0.208 344 L C 2.182 179.075 176.870 0.037 0.000 1.073 344 L CA 1.990 56.852 54.840 0.035 0.000 0.745 344 L CB -1.244 40.832 42.059 0.029 0.000 0.894 344 L HN 0.026 nan 8.230 nan 0.000 0.432 345 T N -0.906 113.670 114.554 0.037 0.000 2.699 345 T HA -0.202 4.117 4.350 -0.052 0.000 0.268 345 T C 1.962 176.685 174.700 0.038 0.000 1.036 345 T CA 1.819 63.942 62.100 0.037 0.000 1.147 345 T CB -0.444 68.453 68.868 0.049 0.000 0.862 345 T HN 0.239 nan 8.240 nan 0.000 0.446 346 V N 1.110 121.053 119.914 0.048 0.000 2.379 346 V HA -0.151 3.938 4.120 -0.052 0.000 0.245 346 V C 2.771 178.923 176.094 0.097 0.000 1.044 346 V CA 1.861 64.204 62.300 0.071 0.000 1.036 346 V CB -0.991 30.882 31.823 0.083 0.000 0.664 346 V HN 0.512 nan 8.190 nan 0.000 0.453 347 T N -0.145 114.459 114.554 0.083 0.000 2.720 347 T HA -0.235 4.084 4.350 -0.052 0.000 0.268 347 T C 1.883 176.632 174.700 0.081 0.000 1.037 347 T CA 1.845 63.998 62.100 0.087 0.000 1.144 347 T CB -0.251 68.657 68.868 0.066 0.000 0.864 347 T HN 0.298 nan 8.240 nan 0.000 0.444 348 M N 0.460 120.093 119.600 0.055 0.000 2.123 348 M HA -0.002 4.447 4.480 -0.052 0.000 0.263 348 M C 2.875 179.199 176.300 0.039 0.000 1.069 348 M CA 1.397 56.717 55.300 0.033 0.000 1.133 348 M CB -0.487 32.114 32.600 0.001 0.000 1.356 348 M HN 0.309 nan 8.290 nan 0.000 0.415 349 A N 0.634 123.478 122.820 0.040 0.000 1.883 349 A HA -0.130 4.159 4.320 -0.052 0.000 0.217 349 A C 2.359 180.089 177.584 0.244 0.000 1.186 349 A CA 2.177 54.276 52.037 0.103 0.000 0.624 349 A CB -1.054 18.015 19.000 0.115 0.000 0.822 349 A HN 0.506 nan 8.150 nan 0.000 0.444 350 A N -0.712 122.233 122.820 0.208 0.000 1.883 350 A HA -0.216 4.073 4.320 -0.052 0.000 0.217 350 A C 2.059 179.770 177.584 0.213 0.000 1.186 350 A CA 1.871 54.052 52.037 0.239 0.000 0.624 350 A CB -0.570 18.566 19.000 0.226 0.000 0.822 350 A HN 0.527 nan 8.150 nan 0.000 0.444 351 E N 0.463 120.758 120.200 0.158 0.000 2.209 351 E HA -0.116 4.203 4.350 -0.052 0.000 0.196 351 E C 1.244 177.916 176.600 0.121 0.000 0.993 351 E CA 1.221 57.694 56.400 0.122 0.000 0.819 351 E CB -0.145 29.606 29.700 0.085 0.000 0.745 351 E HN 0.493 nan 8.360 nan 0.000 0.477 352 S N 0.114 115.917 115.700 0.172 0.000 2.671 352 S HA 0.182 4.621 4.470 -0.052 0.000 0.220 352 S C 0.561 175.316 174.600 0.259 0.000 0.951 352 S CA 0.178 58.510 58.200 0.219 0.000 0.932 352 S CB 0.428 63.781 63.200 0.255 0.000 0.777 352 S HN 0.309 nan 8.310 nan 0.000 0.508 353 G N 1.171 110.080 108.800 0.183 0.000 2.544 353 G HA2 0.370 4.299 3.960 -0.052 0.000 0.242 353 G HA3 0.370 4.299 3.960 -0.052 0.000 0.242 353 G C -0.510 174.383 174.900 -0.012 0.000 1.247 353 G CA -0.268 44.895 45.100 0.104 0.000 0.840 353 G HN 0.376 nan 8.290 nan 0.000 0.578 354 Q N 0.637 120.404 119.800 -0.055 0.000 2.274 354 Q HA 0.447 4.756 4.340 -0.052 0.000 0.268 354 Q C 0.462 176.381 176.000 -0.134 0.000 1.015 354 Q CA -0.721 55.020 55.803 -0.102 0.000 0.775 354 Q CB 2.288 30.995 28.738 -0.052 0.000 1.256 354 Q HN 0.566 nan 8.270 nan 0.000 0.442 355 L N 0.598 121.684 121.223 -0.228 0.000 4.990 355 L HA -0.454 3.855 4.340 -0.052 0.000 0.053 355 L C 0.858 177.645 176.870 -0.139 0.000 3.174 355 L CA 1.398 56.115 54.840 -0.205 0.000 1.483 355 L CB -1.025 40.979 42.059 -0.091 0.000 2.968 355 L HN 0.637 nan 8.230 nan 0.000 0.908 356 Q N -0.031 119.782 119.800 0.022 0.000 2.280 356 Q HA 0.543 4.851 4.340 -0.052 0.000 0.202 356 Q C -0.699 175.409 176.000 0.181 0.000 0.903 356 Q CA 0.386 56.288 55.803 0.167 0.000 0.948 356 Q CB 0.604 29.413 28.738 0.118 0.000 1.058 356 Q HN 0.313 nan 8.270 nan 0.000 0.493 357 L N -0.414 120.886 121.223 0.129 0.000 2.506 357 L HA 0.425 4.734 4.340 -0.052 0.000 0.257 357 L C -1.640 175.278 176.870 0.081 0.000 0.964 357 L CA -0.506 54.402 54.840 0.114 0.000 0.836 357 L CB 2.011 44.087 42.059 0.028 0.000 1.384 357 L HN -0.097 nan 8.230 nan 0.000 0.410 358 N N 2.205 120.970 118.700 0.108 0.000 2.422 358 N HA 0.392 5.101 4.740 -0.052 0.000 0.266 358 N C 0.201 175.621 175.510 -0.150 0.000 1.007 358 N CA 0.392 53.458 53.050 0.027 0.000 0.941 358 N CB 2.143 40.738 38.487 0.180 0.000 1.115 358 N HN 0.790 nan 8.380 nan 0.000 0.492 359 A N 3.521 126.024 122.820 -0.529 0.000 2.238 359 A HA 0.099 4.388 4.320 -0.052 0.000 0.208 359 A C 0.140 177.343 177.584 -0.635 0.000 1.177 359 A CA 0.428 52.053 52.037 -0.686 0.000 0.804 359 A CB -0.307 18.145 19.000 -0.913 0.000 0.823 359 A HN 0.588 nan 8.150 nan 0.000 0.482 360 F N -0.070 119.899 119.950 0.031 0.000 2.735 360 F HA 0.253 4.747 4.527 -0.056 0.000 0.304 360 F C 1.366 177.170 175.800 0.007 0.000 1.119 360 F CA -0.899 57.105 58.000 0.006 0.000 1.280 360 F CB -0.209 38.805 39.000 0.023 0.000 0.994 360 F HN 0.263 nan 8.300 nan 0.000 0.520 361 E N 0.946 121.228 120.200 0.137 0.000 2.118 361 E HA -0.174 4.145 4.350 -0.052 0.000 0.195 361 E C -0.655 176.017 176.600 0.120 0.000 0.992 361 E CA 1.261 57.730 56.400 0.115 0.000 0.804 361 E CB -1.137 28.694 29.700 0.217 0.000 0.741 361 E HN 0.337 nan 8.360 nan 0.000 0.458 362 P HA -0.180 nan 4.420 nan 0.000 0.216 362 P C 1.586 178.869 177.300 -0.028 0.000 1.153 362 P CA 0.884 64.033 63.100 0.081 0.000 0.858 362 P CB -0.000 31.649 31.700 -0.085 0.000 0.789 363 L N -0.874 120.320 121.223 -0.047 0.000 2.027 363 L HA -0.110 4.199 4.340 -0.052 0.000 0.206 363 L C 2.235 179.073 176.870 -0.055 0.000 1.074 363 L CA 1.708 56.482 54.840 -0.109 0.000 0.745 363 L CB -1.151 40.874 42.059 -0.057 0.000 0.898 363 L HN -0.148 nan 8.230 nan 0.000 0.433 364 I N -1.507 119.034 120.570 -0.048 0.000 2.163 364 I HA -0.300 3.839 4.170 -0.052 0.000 0.243 364 I C 2.526 178.521 176.117 -0.204 0.000 1.085 364 I CA 1.608 62.838 61.300 -0.118 0.000 1.347 364 I CB -0.451 37.443 38.000 -0.177 0.000 1.044 364 I HN 0.209 nan 8.210 nan 0.000 0.408 365 V N -0.108 119.665 119.914 -0.236 0.000 2.548 365 V HA -0.302 3.787 4.120 -0.052 0.000 0.249 365 V C 2.308 178.331 176.094 -0.119 0.000 1.055 365 V CA 1.609 63.752 62.300 -0.263 0.000 1.065 365 V CB -0.453 31.191 31.823 -0.298 0.000 0.681 365 V HN 0.480 nan 8.190 nan 0.000 0.462 366 Y N 1.542 121.736 120.300 -0.177 0.000 2.145 366 Y HA -0.224 4.298 4.550 -0.048 0.000 0.286 366 Y C 2.440 178.275 175.900 -0.108 0.000 1.145 366 Y CA 2.344 60.355 58.100 -0.149 0.000 1.148 366 Y CB -0.511 37.824 38.460 -0.210 0.000 0.981 366 Y HN 0.352 nan 8.280 nan 0.000 0.507 367 N N 0.373 118.894 118.700 -0.298 0.000 2.120 367 N HA -0.187 4.522 4.740 -0.052 0.000 0.188 367 N C 1.936 177.329 175.510 -0.195 0.000 1.024 367 N CA 1.961 54.833 53.050 -0.296 0.000 0.852 367 N CB -0.214 38.200 38.487 -0.122 0.000 1.003 367 N HN 0.432 nan 8.380 nan 0.000 0.424 368 I N 1.306 121.805 120.570 -0.119 0.000 2.163 368 I HA -0.231 3.908 4.170 -0.052 0.000 0.240 368 I C 2.303 178.404 176.117 -0.028 0.000 1.081 368 I CA 0.808 62.099 61.300 -0.016 0.000 1.353 368 I CB -0.269 37.769 38.000 0.063 0.000 1.054 368 I HN 0.053 nan 8.210 nan 0.000 0.407 369 L N 0.038 121.204 121.223 -0.096 0.000 2.042 369 L HA -0.237 4.071 4.340 -0.052 0.000 0.210 369 L C 2.731 179.527 176.870 -0.123 0.000 1.076 369 L CA 1.338 56.121 54.840 -0.095 0.000 0.749 369 L CB -0.520 41.471 42.059 -0.112 0.000 0.893 369 L HN 0.221 nan 8.230 nan 0.000 0.432 370 S N -0.653 114.913 115.700 -0.224 0.000 2.353 370 S HA -0.190 4.249 4.470 -0.052 0.000 0.222 370 S C 2.149 176.669 174.600 -0.133 0.000 1.035 370 S CA 1.680 59.740 58.200 -0.233 0.000 1.025 370 S CB -0.237 62.707 63.200 -0.427 0.000 0.902 370 S HN 0.367 nan 8.310 nan 0.000 0.440 371 S N 1.510 117.141 115.700 -0.115 0.000 2.400 371 S HA -0.054 4.385 4.470 -0.052 0.000 0.232 371 S C 1.876 176.455 174.600 -0.035 0.000 1.025 371 S CA 1.226 59.388 58.200 -0.064 0.000 0.993 371 S CB -0.368 62.801 63.200 -0.051 0.000 0.808 371 S HN 0.403 nan 8.310 nan 0.000 0.478 372 M N 0.679 120.275 119.600 -0.006 0.000 2.099 372 M HA -0.095 4.354 4.480 -0.052 0.000 0.262 372 M C 2.420 178.719 176.300 -0.002 0.000 1.067 372 M CA 1.347 56.665 55.300 0.029 0.000 1.124 372 M CB -0.386 32.272 32.600 0.096 0.000 1.353 372 M HN 0.211 nan 8.290 nan 0.000 0.410 373 R N 1.199 121.682 120.500 -0.027 0.000 2.097 373 R HA -0.197 4.111 4.340 -0.052 0.000 0.236 373 R C 2.018 178.300 176.300 -0.029 0.000 1.135 373 R CA 1.875 57.953 56.100 -0.036 0.000 0.934 373 R CB -0.632 29.630 30.300 -0.065 0.000 0.846 373 R HN 0.332 nan 8.270 nan 0.000 0.431 374 L N 0.706 121.908 121.223 -0.035 0.000 2.013 374 L HA -0.248 4.061 4.340 -0.052 0.000 0.212 374 L C 2.651 179.503 176.870 -0.031 0.000 1.073 374 L CA 1.466 56.289 54.840 -0.029 0.000 0.753 374 L CB -0.473 41.567 42.059 -0.032 0.000 0.890 374 L HN 0.311 nan 8.230 nan 0.000 0.432 375 L N -0.783 120.420 121.223 -0.034 0.000 2.056 375 L HA -0.115 4.194 4.340 -0.052 0.000 0.207 375 L C 2.670 179.524 176.870 -0.027 0.000 1.078 375 L CA 1.240 56.058 54.840 -0.036 0.000 0.749 375 L CB -1.062 40.972 42.059 -0.042 0.000 0.901 375 L HN 0.336 nan 8.230 nan 0.000 0.433 376 G N -0.085 108.706 108.800 -0.015 0.000 2.480 376 G HA2 -0.271 3.657 3.960 -0.052 0.000 0.216 376 G HA3 -0.271 3.657 3.960 -0.052 0.000 0.216 376 G C 1.696 176.588 174.900 -0.014 0.000 1.200 376 G CA 0.654 45.749 45.100 -0.007 0.000 0.782 376 G HN 0.258 nan 8.290 nan 0.000 0.554 377 R N 0.535 121.025 120.500 -0.016 0.000 2.081 377 R HA 0.041 4.350 4.340 -0.052 0.000 0.235 377 R C 3.033 179.318 176.300 -0.024 0.000 1.131 377 R CA 1.215 57.304 56.100 -0.017 0.000 0.960 377 R CB -0.410 29.882 30.300 -0.013 0.000 0.856 377 R HN 0.356 nan 8.270 nan 0.000 0.436 378 A N 0.921 123.723 122.820 -0.030 0.000 1.902 378 A HA -0.189 4.100 4.320 -0.052 0.000 0.217 378 A C 2.175 179.732 177.584 -0.044 0.000 1.181 378 A CA 1.509 53.523 52.037 -0.038 0.000 0.623 378 A CB -0.444 18.527 19.000 -0.048 0.000 0.818 378 A HN 0.203 nan 8.150 nan 0.000 0.443 379 M N -0.956 118.619 119.600 -0.042 0.000 2.117 379 M HA -0.124 4.325 4.480 -0.052 0.000 0.262 379 M C 2.260 178.522 176.300 -0.063 0.000 1.065 379 M CA 1.914 57.183 55.300 -0.052 0.000 1.114 379 M CB -0.733 31.845 32.600 -0.038 0.000 1.361 379 M HN 0.452 nan 8.290 nan 0.000 0.408 380 T N 0.678 115.206 114.554 -0.043 0.000 2.674 380 T HA -0.107 4.211 4.350 -0.052 0.000 0.265 380 T C 1.571 176.243 174.700 -0.046 0.000 1.039 380 T CA 1.474 63.549 62.100 -0.041 0.000 1.150 380 T CB -0.423 68.431 68.868 -0.024 0.000 0.864 380 T HN 0.324 nan 8.240 nan 0.000 0.427 381 N N 1.300 119.977 118.700 -0.038 0.000 2.104 381 N HA -0.053 4.656 4.740 -0.052 0.000 0.190 381 N C 1.736 177.219 175.510 -0.045 0.000 1.024 381 N CA 0.671 53.700 53.050 -0.034 0.000 0.853 381 N CB -0.713 37.759 38.487 -0.025 0.000 1.008 381 N HN 0.203 nan 8.380 nan 0.000 0.424 382 L N 0.912 122.099 121.223 -0.060 0.000 2.017 382 L HA -0.052 4.257 4.340 -0.052 0.000 0.208 382 L C 2.063 178.865 176.870 -0.113 0.000 1.073 382 L CA 1.689 56.484 54.840 -0.073 0.000 0.745 382 L CB -0.956 41.057 42.059 -0.077 0.000 0.894 382 L HN 0.147 nan 8.230 nan 0.000 0.432 383 A N -0.853 121.875 122.820 -0.154 0.000 1.858 383 A HA -0.204 4.085 4.320 -0.052 0.000 0.216 383 A C 2.193 179.717 177.584 -0.099 0.000 1.190 383 A CA 1.865 53.793 52.037 -0.182 0.000 0.617 383 A CB -0.623 18.270 19.000 -0.177 0.000 0.827 383 A HN 0.605 nan 8.150 nan 0.000 0.443 384 E N -0.875 119.285 120.200 -0.067 0.000 2.112 384 E HA -0.053 4.266 4.350 -0.052 0.000 0.190 384 E C 1.796 178.380 176.600 -0.027 0.000 0.979 384 E CA 0.722 57.097 56.400 -0.042 0.000 0.814 384 E CB -0.031 29.649 29.700 -0.032 0.000 0.762 384 E HN 0.483 nan 8.360 nan 0.000 0.460 385 R N -0.895 119.591 120.500 -0.024 0.000 2.397 385 R HA 0.218 4.527 4.340 -0.052 0.000 0.241 385 R C 1.157 177.458 176.300 0.002 0.000 0.914 385 R CA -0.069 56.026 56.100 -0.009 0.000 1.071 385 R CB 0.585 30.881 30.300 -0.008 0.000 1.116 385 R HN 0.156 nan 8.270 nan 0.000 0.524 386 C N -1.609 117.692 119.300 0.001 0.000 3.115 386 C HA 0.129 4.557 4.460 -0.052 0.000 0.281 386 C C 2.309 177.331 174.990 0.053 0.000 2.312 386 C CA -0.059 58.977 59.018 0.031 0.000 1.650 386 C CB -0.083 27.678 27.740 0.035 0.000 1.514 386 C HN 0.115 nan 8.230 nan 0.000 0.707 387 V N 2.459 122.394 119.914 0.035 0.000 2.252 387 V HA -0.219 3.870 4.120 -0.052 0.000 0.249 387 V C 2.078 178.199 176.094 0.044 0.000 1.056 387 V CA 2.872 65.223 62.300 0.085 0.000 1.022 387 V CB -0.812 30.963 31.823 -0.080 0.000 0.641 387 V HN 0.585 nan 8.190 nan 0.000 0.445 388 D N 0.540 120.930 120.400 -0.016 0.000 2.158 388 D HA -0.132 4.477 4.640 -0.052 0.000 0.197 388 D C 1.995 178.288 176.300 -0.013 0.000 0.995 388 D CA 1.780 55.761 54.000 -0.030 0.000 0.846 388 D CB -0.386 40.394 40.800 -0.035 0.000 0.941 388 D HN 0.538 nan 8.370 nan 0.000 0.456 389 G N -0.590 108.220 108.800 0.016 0.000 3.088 389 G HA2 0.152 4.081 3.960 -0.052 0.000 0.217 389 G HA3 0.152 4.081 3.960 -0.052 0.000 0.217 389 G C 0.696 175.636 174.900 0.066 0.000 1.159 389 G CA -0.355 44.763 45.100 0.030 0.000 0.760 389 G HN 0.169 nan 8.290 nan 0.000 0.550 390 I N 1.532 122.163 120.570 0.102 0.000 2.775 390 I HA 0.062 4.201 4.170 -0.052 0.000 0.290 390 I C -0.095 176.149 176.117 0.212 0.000 1.203 390 I CA 0.475 61.872 61.300 0.162 0.000 1.433 390 I CB 0.700 38.845 38.000 0.241 0.000 1.354 390 I HN 0.017 nan 8.210 nan 0.000 0.579 391 E N 4.701 124.993 120.200 0.154 0.000 2.288 391 E HA 0.608 4.926 4.350 -0.052 0.000 0.268 391 E C -0.800 175.766 176.600 -0.056 0.000 0.885 391 E CA -0.886 55.597 56.400 0.137 0.000 0.767 391 E CB 2.148 31.898 29.700 0.083 0.000 1.220 391 E HN 0.598 nan 8.360 nan 0.000 0.427 392 A N 2.511 125.198 122.820 -0.222 0.000 2.327 392 A HA 0.364 4.653 4.320 -0.052 0.000 0.283 392 A C -0.073 177.414 177.584 -0.162 0.000 1.127 392 A CA -0.632 51.168 52.037 -0.394 0.000 0.810 392 A CB 0.171 18.759 19.000 -0.687 0.000 1.066 392 A HN 0.432 nan 8.150 nan 0.000 0.492 393 N N 2.718 121.342 118.700 -0.127 0.000 2.719 393 N HA 0.172 4.880 4.740 -0.052 0.000 0.243 393 N C 1.272 176.737 175.510 -0.075 0.000 1.104 393 N CA -0.151 52.857 53.050 -0.070 0.000 0.981 393 N CB 1.251 39.712 38.487 -0.043 0.000 1.290 393 N HN 0.367 nan 8.380 nan 0.000 0.513 394 V N 2.178 122.052 119.914 -0.066 0.000 2.287 394 V HA -0.311 3.778 4.120 -0.052 0.000 0.248 394 V C 2.684 178.756 176.094 -0.037 0.000 1.053 394 V CA 2.739 65.007 62.300 -0.055 0.000 1.027 394 V CB -0.812 30.994 31.823 -0.028 0.000 0.646 394 V HN 0.715 nan 8.190 nan 0.000 0.447 395 E N 0.342 120.526 120.200 -0.026 0.000 2.106 395 E HA -0.288 4.031 4.350 -0.052 0.000 0.192 395 E C 2.151 178.739 176.600 -0.019 0.000 0.984 395 E CA 1.591 57.981 56.400 -0.018 0.000 0.806 395 E CB -0.585 29.107 29.700 -0.012 0.000 0.750 395 E HN 0.546 nan 8.360 nan 0.000 0.458 396 R N -0.094 120.392 120.500 -0.023 0.000 2.092 396 R HA -0.013 4.296 4.340 -0.052 0.000 0.231 396 R C 2.311 178.597 176.300 -0.024 0.000 1.119 396 R CA 1.714 57.802 56.100 -0.020 0.000 0.970 396 R CB -1.351 28.937 30.300 -0.020 0.000 0.864 396 R HN 0.528 nan 8.270 nan 0.000 0.440 397 C N -0.200 119.079 119.300 -0.035 0.000 2.432 397 C HA -0.001 4.428 4.460 -0.052 0.000 0.277 397 C C 2.669 177.644 174.990 -0.025 0.000 1.249 397 C CA 1.127 60.124 59.018 -0.036 0.000 1.725 397 C CB -0.891 26.814 27.740 -0.059 0.000 2.028 397 C HN 0.558 nan 8.230 nan 0.000 0.477 398 R N 0.976 121.463 120.500 -0.022 0.000 2.073 398 R HA -0.114 4.195 4.340 -0.052 0.000 0.234 398 R C 2.272 178.565 176.300 -0.012 0.000 1.134 398 R CA 1.726 57.817 56.100 -0.015 0.000 0.952 398 R CB -0.448 29.845 30.300 -0.013 0.000 0.850 398 R HN 0.478 nan 8.270 nan 0.000 0.433 399 A N 0.194 123.007 122.820 -0.012 0.000 1.892 399 A HA -0.139 4.150 4.320 -0.052 0.000 0.218 399 A C 2.362 179.941 177.584 -0.010 0.000 1.188 399 A CA 1.950 53.980 52.037 -0.010 0.000 0.631 399 A CB -1.538 17.457 19.000 -0.010 0.000 0.822 399 A HN 0.597 nan 8.150 nan 0.000 0.447 400 G N -0.567 108.226 108.800 -0.011 0.000 2.491 400 G HA2 -0.079 3.850 3.960 -0.052 0.000 0.218 400 G HA3 -0.079 3.850 3.960 -0.052 0.000 0.218 400 G C 1.806 176.700 174.900 -0.009 0.000 1.180 400 G CA 1.864 46.959 45.100 -0.009 0.000 0.774 400 G HN 0.921 nan 8.290 nan 0.000 0.562 401 A N 0.608 123.422 122.820 -0.010 0.000 1.902 401 A HA -0.037 4.252 4.320 -0.052 0.000 0.217 401 A C 2.189 179.768 177.584 -0.008 0.000 1.181 401 A CA 2.026 54.058 52.037 -0.009 0.000 0.623 401 A CB -0.401 18.594 19.000 -0.009 0.000 0.818 401 A HN 0.476 nan 8.150 nan 0.000 0.443 402 E N -0.408 119.787 120.200 -0.009 0.000 2.208 402 E HA -0.119 4.200 4.350 -0.052 0.000 0.193 402 E C 1.489 178.083 176.600 -0.009 0.000 0.988 402 E CA 0.924 57.319 56.400 -0.008 0.000 0.828 402 E CB -0.062 29.633 29.700 -0.008 0.000 0.763 402 E HN 0.728 nan 8.360 nan 0.000 0.478 403 E N 0.702 120.897 120.200 -0.009 0.000 2.502 403 E HA 0.010 4.329 4.350 -0.052 0.000 0.194 403 E C 0.187 176.781 176.600 -0.010 0.000 1.062 403 E CA -0.199 56.196 56.400 -0.009 0.000 0.867 403 E CB 0.334 30.029 29.700 -0.008 0.000 0.888 403 E HN -0.093 nan 8.360 nan 0.000 0.510 404 S N 1.383 117.076 115.700 -0.010 0.000 2.571 404 S HA -0.017 4.421 4.470 -0.052 0.000 0.297 404 S C 1.417 176.009 174.600 -0.013 0.000 1.234 404 S CA -0.480 57.714 58.200 -0.010 0.000 1.120 404 S CB 0.024 63.218 63.200 -0.009 0.000 0.923 404 S HN 0.148 nan 8.310 nan 0.000 0.504 405 I N 5.078 125.640 120.570 -0.014 0.000 2.335 405 I HA -0.144 3.995 4.170 -0.052 0.000 0.251 405 I C 2.632 178.736 176.117 -0.022 0.000 1.129 405 I CA 1.528 62.816 61.300 -0.019 0.000 1.402 405 I CB -1.962 36.027 38.000 -0.019 0.000 1.069 405 I HN 0.837 nan 8.210 nan 0.000 0.424 406 S N 1.254 116.945 115.700 -0.015 0.000 2.419 406 S HA -0.158 4.280 4.470 -0.052 0.000 0.235 406 S C 2.022 176.613 174.600 -0.015 0.000 1.019 406 S CA 0.825 59.017 58.200 -0.012 0.000 0.982 406 S CB -0.964 62.232 63.200 -0.006 0.000 0.789 406 S HN 0.489 nan 8.310 nan 0.000 0.490 407 L N 1.221 122.435 121.223 -0.016 0.000 2.129 407 L HA -0.163 4.146 4.340 -0.052 0.000 0.212 407 L C 3.146 180.003 176.870 -0.022 0.000 1.087 407 L CA 1.226 56.056 54.840 -0.016 0.000 0.757 407 L CB -1.048 41.002 42.059 -0.015 0.000 0.896 407 L HN 0.506 nan 8.230 nan 0.000 0.434 408 A N -0.249 122.551 122.820 -0.033 0.000 2.024 408 A HA -0.199 4.089 4.320 -0.052 0.000 0.220 408 A C 2.337 179.889 177.584 -0.053 0.000 1.164 408 A CA 2.222 54.229 52.037 -0.050 0.000 0.643 408 A CB -0.812 18.145 19.000 -0.072 0.000 0.806 408 A HN 0.424 nan 8.150 nan 0.000 0.451 409 T N 0.374 114.905 114.554 -0.038 0.000 2.803 409 T HA -0.036 4.283 4.350 -0.052 0.000 0.269 409 T C 1.989 176.687 174.700 -0.003 0.000 1.052 409 T CA 1.331 63.420 62.100 -0.017 0.000 1.136 409 T CB -0.349 68.523 68.868 0.008 0.000 0.864 409 T HN 0.609 nan 8.240 nan 0.000 0.467 410 A N 0.706 123.522 122.820 -0.007 0.000 2.216 410 A HA 0.194 4.482 4.320 -0.052 0.000 0.214 410 A C 2.021 179.602 177.584 -0.004 0.000 1.160 410 A CA 0.658 52.694 52.037 -0.002 0.000 0.725 410 A CB -0.664 18.334 19.000 -0.003 0.000 0.784 410 A HN 0.516 nan 8.150 nan 0.000 0.472 411 L N -1.148 120.067 121.223 -0.013 0.000 2.509 411 L HA -0.011 4.298 4.340 -0.052 0.000 0.222 411 L C 2.118 178.985 176.870 -0.006 0.000 1.123 411 L CA 0.003 54.835 54.840 -0.014 0.000 0.856 411 L CB -0.158 41.884 42.059 -0.027 0.000 0.985 411 L HN 0.188 nan 8.230 nan 0.000 0.456 412 V N 0.843 120.759 119.914 0.003 0.000 2.255 412 V HA -0.201 3.888 4.120 -0.052 0.000 0.247 412 V C 0.059 176.173 176.094 0.034 0.000 1.051 412 V CA 2.106 64.424 62.300 0.030 0.000 1.018 412 V CB -1.580 30.287 31.823 0.072 0.000 0.641 412 V HN 0.336 nan 8.190 nan 0.000 0.445 413 P HA -0.155 nan 4.420 nan 0.000 0.216 413 P C 1.919 179.229 177.300 0.017 0.000 1.157 413 P CA 1.598 64.711 63.100 0.022 0.000 0.880 413 P CB -0.082 31.627 31.700 0.015 0.000 0.791 414 V N -0.896 119.025 119.914 0.011 0.000 2.346 414 V HA -0.112 3.977 4.120 -0.052 0.000 0.244 414 V C 2.237 178.336 176.094 0.008 0.000 1.037 414 V CA 2.042 64.347 62.300 0.007 0.000 1.029 414 V CB -0.733 31.091 31.823 0.003 0.000 0.663 414 V HN 0.024 nan 8.190 nan 0.000 0.454 415 V N -2.648 117.269 119.914 0.006 0.000 3.605 415 V HA 0.741 4.830 4.120 -0.052 0.000 0.284 415 V C 0.750 176.852 176.094 0.013 0.000 1.386 415 V CA 0.258 62.560 62.300 0.004 0.000 1.053 415 V CB -0.399 31.420 31.823 -0.007 0.000 0.857 415 V HN 0.804 nan 8.190 nan 0.000 0.436 416 G N -0.297 108.519 108.800 0.028 0.000 2.692 416 G HA2 -0.279 3.650 3.960 -0.052 0.000 0.686 416 G HA3 -0.279 3.650 3.960 -0.052 0.000 0.686 416 G C -0.319 174.624 174.900 0.071 0.000 1.243 416 G CA 0.102 45.236 45.100 0.057 0.000 0.782 416 G HN 0.572 nan 8.290 nan 0.000 0.625 417 Y N 1.539 121.838 120.300 -0.001 0.000 2.081 417 Y HA -0.057 4.461 4.550 -0.052 0.000 0.280 417 Y C 3.042 178.941 175.900 -0.001 0.000 1.163 417 Y CA 3.948 62.047 58.100 -0.001 0.000 1.135 417 Y CB -0.483 37.976 38.460 -0.001 0.000 0.970 417 Y HN 1.121 nan 8.280 nan 0.000 0.498 418 A N 0.339 123.239 122.820 0.134 0.000 1.877 418 A HA -0.232 4.057 4.320 -0.052 0.000 0.216 418 A C 2.387 179.942 177.584 -0.048 0.000 1.186 418 A CA 1.944 54.009 52.037 0.048 0.000 0.620 418 A CB -0.884 18.171 19.000 0.093 0.000 0.822 418 A HN 0.559 nan 8.150 nan 0.000 0.443 419 R N -0.547 119.936 120.500 -0.028 0.000 2.081 419 R HA -0.103 4.206 4.340 -0.052 0.000 0.235 419 R C 2.366 178.621 176.300 -0.075 0.000 1.131 419 R CA 1.370 57.447 56.100 -0.039 0.000 0.960 419 R CB -0.411 29.878 30.300 -0.017 0.000 0.856 419 R HN 0.463 nan 8.270 nan 0.000 0.436 420 A N 0.751 123.508 122.820 -0.106 0.000 1.908 420 A HA -0.165 4.124 4.320 -0.052 0.000 0.218 420 A C 2.339 179.810 177.584 -0.189 0.000 1.181 420 A CA 1.872 53.827 52.037 -0.138 0.000 0.627 420 A CB -0.790 18.118 19.000 -0.153 0.000 0.818 420 A HN 0.535 nan 8.150 nan 0.000 0.445 421 A N -0.915 121.730 122.820 -0.293 0.000 1.933 421 A HA 0.081 4.370 4.320 -0.052 0.000 0.218 421 A C 2.163 179.665 177.584 -0.137 0.000 1.175 421 A CA 2.348 54.220 52.037 -0.274 0.000 0.628 421 A CB -1.061 17.715 19.000 -0.372 0.000 0.814 421 A HN 0.766 nan 8.150 nan 0.000 0.444 422 E N 0.078 120.217 120.200 -0.101 0.000 2.077 422 E HA -0.122 4.197 4.350 -0.052 0.000 0.193 422 E C 1.821 178.390 176.600 -0.052 0.000 0.989 422 E CA 1.384 57.749 56.400 -0.058 0.000 0.800 422 E CB -0.829 28.848 29.700 -0.039 0.000 0.746 422 E HN 0.698 nan 8.360 nan 0.000 0.452 423 I N 0.595 121.130 120.570 -0.059 0.000 2.226 423 I HA -0.195 3.944 4.170 -0.052 0.000 0.245 423 I C 3.056 179.143 176.117 -0.049 0.000 1.100 423 I CA 1.163 62.435 61.300 -0.048 0.000 1.374 423 I CB -0.216 37.757 38.000 -0.046 0.000 1.057 423 I HN 0.393 nan 8.210 nan 0.000 0.413 424 A N 1.093 123.874 122.820 -0.066 0.000 1.865 424 A HA -0.313 3.975 4.320 -0.052 0.000 0.217 424 A C 2.634 180.192 177.584 -0.044 0.000 1.191 424 A CA 2.914 54.916 52.037 -0.059 0.000 0.623 424 A CB -1.095 17.856 19.000 -0.081 0.000 0.826 424 A HN 0.369 nan 8.150 nan 0.000 0.444 425 K N -0.353 120.020 120.400 -0.046 0.000 2.063 425 K HA -0.215 4.073 4.320 -0.052 0.000 0.208 425 K C 2.129 178.714 176.600 -0.024 0.000 1.048 425 K CA 2.084 58.352 56.287 -0.031 0.000 0.928 425 K CB -0.937 31.546 32.500 -0.029 0.000 0.713 425 K HN 0.759 nan 8.250 nan 0.000 0.442 426 Q N -0.722 119.063 119.800 -0.026 0.000 2.084 426 Q HA -0.058 4.251 4.340 -0.052 0.000 0.202 426 Q C 2.381 178.370 176.000 -0.018 0.000 0.978 426 Q CA 1.502 57.293 55.803 -0.020 0.000 0.844 426 Q CB -0.313 28.413 28.738 -0.019 0.000 0.898 426 Q HN 0.596 nan 8.270 nan 0.000 0.426 427 A N 0.869 123.677 122.820 -0.021 0.000 1.877 427 A HA -0.184 4.104 4.320 -0.052 0.000 0.216 427 A C 2.020 179.594 177.584 -0.016 0.000 1.186 427 A CA 1.368 53.394 52.037 -0.018 0.000 0.620 427 A CB -0.901 18.087 19.000 -0.021 0.000 0.822 427 A HN 0.511 nan 8.150 nan 0.000 0.443 428 L N -0.119 121.094 121.223 -0.017 0.000 2.013 428 L HA -0.178 4.130 4.340 -0.052 0.000 0.212 428 L C 2.618 179.482 176.870 -0.011 0.000 1.073 428 L CA 2.528 57.359 54.840 -0.014 0.000 0.753 428 L CB -0.613 41.437 42.059 -0.014 0.000 0.890 428 L HN 0.347 nan 8.230 nan 0.000 0.432 429 A N -1.125 121.688 122.820 -0.011 0.000 1.898 429 A HA -0.151 4.138 4.320 -0.052 0.000 0.216 429 A C 2.324 179.903 177.584 -0.008 0.000 1.181 429 A CA 1.772 53.804 52.037 -0.009 0.000 0.620 429 A CB -0.885 18.110 19.000 -0.009 0.000 0.819 429 A HN 0.658 nan 8.150 nan 0.000 0.442 430 S N -2.395 113.299 115.700 -0.009 0.000 2.556 430 S HA 0.399 4.837 4.470 -0.052 0.000 0.216 430 S C 1.410 176.006 174.600 -0.007 0.000 0.970 430 S CA 1.022 59.218 58.200 -0.008 0.000 0.912 430 S CB -0.033 63.161 63.200 -0.009 0.000 0.790 430 S HN 1.876 nan 8.310 nan 0.000 0.504 431 G N 0.670 109.465 108.800 -0.008 0.000 2.184 431 G HA2 -0.283 3.646 3.960 -0.052 0.000 0.264 431 G HA3 -0.283 3.646 3.960 -0.052 0.000 0.264 431 G C -0.067 174.828 174.900 -0.008 0.000 0.975 431 G CA 0.451 45.547 45.100 -0.007 0.000 0.642 431 G HN 0.603 nan 8.290 nan 0.000 0.536 432 Q N 0.405 120.200 119.800 -0.009 0.000 2.199 432 Q HA 0.564 4.873 4.340 -0.052 0.000 0.232 432 Q C 1.063 177.056 176.000 -0.011 0.000 0.969 432 Q CA 0.086 55.884 55.803 -0.009 0.000 0.925 432 Q CB 0.789 29.521 28.738 -0.010 0.000 1.198 432 Q HN 0.480 nan 8.270 nan 0.000 0.494 433 T N -2.583 111.965 114.554 -0.010 0.000 2.860 433 T HA 0.091 4.409 4.350 -0.052 0.000 0.299 433 T C 1.270 175.961 174.700 -0.014 0.000 1.045 433 T CA -0.745 61.348 62.100 -0.012 0.000 1.071 433 T CB 0.616 69.478 68.868 -0.010 0.000 0.985 433 T HN 0.333 nan 8.240 nan 0.000 0.537 434 V N 2.313 122.217 119.914 -0.016 0.000 2.332 434 V HA -0.214 3.875 4.120 -0.052 0.000 0.248 434 V C 2.684 178.768 176.094 -0.017 0.000 1.055 434 V CA 2.385 64.674 62.300 -0.020 0.000 1.038 434 V CB -0.993 30.816 31.823 -0.023 0.000 0.651 434 V HN 0.977 nan 8.190 nan 0.000 0.450 435 M N -0.311 119.281 119.600 -0.014 0.000 2.108 435 M HA -0.255 4.194 4.480 -0.052 0.000 0.261 435 M C 2.232 178.526 176.300 -0.011 0.000 1.066 435 M CA 2.049 57.343 55.300 -0.011 0.000 1.107 435 M CB -0.191 32.404 32.600 -0.009 0.000 1.356 435 M HN 0.365 nan 8.290 nan 0.000 0.406 436 E N -0.887 119.307 120.200 -0.010 0.000 2.085 436 E HA -0.199 4.119 4.350 -0.052 0.000 0.194 436 E C 1.850 178.444 176.600 -0.010 0.000 0.994 436 E CA 1.723 58.117 56.400 -0.009 0.000 0.801 436 E CB -0.091 29.604 29.700 -0.009 0.000 0.743 436 E HN 0.387 nan 8.360 nan 0.000 0.453 437 V N 0.961 120.868 119.914 -0.013 0.000 2.379 437 V HA -0.226 3.863 4.120 -0.052 0.000 0.245 437 V C 2.249 178.335 176.094 -0.014 0.000 1.044 437 V CA 1.639 63.930 62.300 -0.014 0.000 1.036 437 V CB -0.653 31.160 31.823 -0.017 0.000 0.664 437 V HN 0.325 nan 8.190 nan 0.000 0.453 438 A N 0.432 123.243 122.820 -0.015 0.000 1.883 438 A HA -0.186 4.103 4.320 -0.052 0.000 0.217 438 A C 2.139 179.717 177.584 -0.011 0.000 1.186 438 A CA 1.874 53.902 52.037 -0.014 0.000 0.624 438 A CB -0.526 18.466 19.000 -0.014 0.000 0.822 438 A HN 0.384 nan 8.150 nan 0.000 0.444 439 I N 1.047 121.611 120.570 -0.009 0.000 2.163 439 I HA -0.219 3.920 4.170 -0.052 0.000 0.243 439 I C 2.851 178.964 176.117 -0.007 0.000 1.085 439 I CA 2.152 63.447 61.300 -0.007 0.000 1.347 439 I CB -1.584 36.412 38.000 -0.006 0.000 1.044 439 I HN 0.543 nan 8.210 nan 0.000 0.408 440 S N 0.876 116.571 115.700 -0.007 0.000 2.469 440 S HA -0.142 4.296 4.470 -0.052 0.000 0.238 440 S C 1.998 176.594 174.600 -0.007 0.000 0.998 440 S CA 1.396 59.592 58.200 -0.007 0.000 0.957 440 S CB -0.595 62.601 63.200 -0.007 0.000 0.764 440 S HN 0.515 nan 8.310 nan 0.000 0.514 441 K N 0.769 121.164 120.400 -0.008 0.000 2.393 441 K HA 0.518 4.807 4.320 -0.052 0.000 0.193 441 K C 1.404 178.000 176.600 -0.006 0.000 1.026 441 K CA 0.637 56.919 56.287 -0.008 0.000 1.064 441 K CB -1.321 31.173 32.500 -0.010 0.000 0.833 441 K HN 1.435 nan 8.250 nan 0.000 0.521 442 G N 0.091 108.888 108.800 -0.006 0.000 2.142 442 G HA2 -0.152 3.776 3.960 -0.052 0.000 0.225 442 G HA3 -0.152 3.776 3.960 -0.052 0.000 0.225 442 G C 0.014 174.911 174.900 -0.005 0.000 1.015 442 G CA 0.245 45.343 45.100 -0.004 0.000 0.716 442 G HN 0.396 nan 8.290 nan 0.000 0.508 443 L N -0.453 120.766 121.223 -0.006 0.000 2.331 443 L HA 0.649 4.957 4.340 -0.052 0.000 0.268 443 L C 0.109 176.976 176.870 -0.005 0.000 1.015 443 L CA -1.023 53.813 54.840 -0.006 0.000 0.807 443 L CB 1.469 43.523 42.059 -0.008 0.000 1.293 443 L HN 0.193 nan 8.230 nan 0.000 0.451 444 D N 0.343 120.740 120.400 -0.005 0.000 2.274 444 D HA 0.379 4.987 4.640 -0.052 0.000 0.239 444 D C 0.079 176.375 176.300 -0.005 0.000 1.104 444 D CA -0.263 53.734 54.000 -0.004 0.000 0.840 444 D CB 1.801 42.599 40.800 -0.003 0.000 1.100 444 D HN 0.528 nan 8.370 nan 0.000 0.477 445 A N 3.100 125.917 122.820 -0.006 0.000 2.462 445 A HA 0.146 4.434 4.320 -0.052 0.000 0.261 445 A C 1.895 179.476 177.584 -0.005 0.000 1.323 445 A CA -0.231 51.802 52.037 -0.006 0.000 0.913 445 A CB -0.187 18.808 19.000 -0.008 0.000 1.028 445 A HN 0.527 nan 8.150 nan 0.000 0.511 446 S N 0.341 116.039 115.700 -0.004 0.000 2.374 446 S HA -0.193 4.246 4.470 -0.052 0.000 0.227 446 S C 2.329 176.928 174.600 -0.002 0.000 1.037 446 S CA 1.517 59.715 58.200 -0.002 0.000 1.024 446 S CB -0.205 62.994 63.200 -0.001 0.000 0.861 446 S HN 0.858 nan 8.310 nan 0.000 0.456 447 A N 0.774 123.592 122.820 -0.002 0.000 1.972 447 A HA -0.038 4.250 4.320 -0.052 0.000 0.219 447 A C 1.996 179.578 177.584 -0.003 0.000 1.169 447 A CA 1.165 53.202 52.037 -0.002 0.000 0.635 447 A CB -0.537 18.462 19.000 -0.001 0.000 0.810 447 A HN 0.399 nan 8.150 nan 0.000 0.446 448 L N -0.471 120.749 121.223 -0.005 0.000 2.017 448 L HA -0.131 4.178 4.340 -0.052 0.000 0.208 448 L C 2.725 179.593 176.870 -0.004 0.000 1.073 448 L CA 2.334 57.170 54.840 -0.006 0.000 0.745 448 L CB -1.199 40.856 42.059 -0.008 0.000 0.894 448 L HN 0.334 nan 8.230 nan 0.000 0.432 449 T N -0.166 114.386 114.554 -0.003 0.000 2.721 449 T HA -0.228 4.091 4.350 -0.052 0.000 0.268 449 T C 1.922 176.621 174.700 -0.001 0.000 1.038 449 T CA 1.812 63.911 62.100 -0.002 0.000 1.145 449 T CB -0.385 68.482 68.868 -0.002 0.000 0.858 449 T HN 0.232 nan 8.240 nan 0.000 0.459 450 I N 0.334 120.904 120.570 -0.001 0.000 2.252 450 I HA -0.104 4.035 4.170 -0.052 0.000 0.245 450 I C 2.507 178.624 176.117 -0.000 0.000 1.102 450 I CA 1.143 62.443 61.300 0.000 0.000 1.385 450 I CB -0.374 37.627 38.000 0.001 0.000 1.064 450 I HN 0.219 nan 8.210 nan 0.000 0.414 451 M N 0.029 119.629 119.600 -0.001 0.000 2.446 451 M HA -0.143 4.305 4.480 -0.052 0.000 0.263 451 M C 1.453 177.752 176.300 -0.002 0.000 1.066 451 M CA 1.471 56.770 55.300 -0.001 0.000 1.087 451 M CB -0.018 32.581 32.600 -0.003 0.000 1.406 451 M HN 0.263 nan 8.290 nan 0.000 0.459 452 L N -0.759 120.463 121.223 -0.002 0.000 2.741 452 L HA 0.132 4.441 4.340 -0.052 0.000 0.237 452 L C 0.004 176.874 176.870 0.000 0.000 1.178 452 L CA -0.360 54.479 54.840 -0.002 0.000 0.973 452 L CB -0.019 42.038 42.059 -0.003 0.000 1.255 452 L HN -0.038 nan 8.230 nan 0.000 0.498 453 D N 0.719 121.119 120.400 0.001 0.000 2.427 453 D HA 0.201 4.810 4.640 -0.052 0.000 0.226 453 D C -1.301 175.002 176.300 0.005 0.000 1.076 453 D CA -2.064 51.938 54.000 0.003 0.000 0.849 453 D CB 1.627 42.428 40.800 0.002 0.000 1.052 453 D HN -0.124 nan 8.370 nan 0.000 0.515 454 P HA -0.088 nan 4.420 nan 0.000 0.219 454 P C 0.867 178.173 177.300 0.010 0.000 1.146 454 P CA 0.206 63.312 63.100 0.010 0.000 0.808 454 P CB 0.362 32.072 31.700 0.016 0.000 0.779 455 L N 0.000 121.228 121.223 0.008 0.000 2.949 455 L HA 0.000 4.309 4.340 -0.052 0.000 0.249 455 L CA 0.000 54.844 54.840 0.007 0.000 0.813 455 L CB 0.000 42.063 42.059 0.006 0.000 0.961 455 L HN 0.000 nan 8.230 nan 0.000 0.502