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 1m7y_1_A DATA FIRST_RESID 3 DATA SEQUENCE MLSRNATXXX XXXXSSYFLG WQEYEKNPYH EVHNTNGIIQ MGLAENQLCF DATA SEQUENCE DLLESWLAKN PEAAAFKKNG ESIFAELALF QDYHGLPAFK KAMVDFMAEI DATA SEQUENCE RGNKVTFDPN HLVLTAGATS ANETFIFCLA DPGEAVLIPT PYYPGFDRDL DATA SEQUENCE KWRTGVEIVP IHCTSSNGFQ ITETALEEAY QEAEKRNLRV KGVLVTNPSN DATA SEQUENCE PLGTTMTRNE LYLLLSFVED KGIHLISDEI YSGTAFSSPS FISVMEVLKD DATA SEQUENCE RNCDENSEVW QRVHVVYSLS KDLGLPGFRV GAIYSNDDMV VAAATKMSSF DATA SEQUENCE GLVSSQTQHL LSAMLSDKKL TKNYIAENHK RLKQRQKKLV SGLQKSGISC DATA SEQUENCE LNGNAGLFCW VDMRHLLRSN TFEAEMELWK KIVYEVHLNI SPGSSCHCTE DATA SEQUENCE PGWFRVCFAN LPERTLDLAM QRLKAFVGEY Y VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 M HA 0.000 nan 4.480 nan 0.000 0.227 3 M C 0.000 176.304 176.300 0.006 0.000 1.140 3 M CA 0.000 55.303 55.300 0.005 0.000 0.988 3 M CB 0.000 32.603 32.600 0.004 0.000 1.302 4 L N 4.065 125.294 121.223 0.010 0.000 2.485 4 L HA 0.334 4.613 4.340 -0.102 0.000 0.275 4 L C 0.847 177.726 176.870 0.014 0.000 1.207 4 L CA 1.203 56.051 54.840 0.013 0.000 0.855 4 L CB 0.988 43.058 42.059 0.018 0.000 1.114 4 L HN 0.862 nan 8.230 nan 0.000 0.485 5 S N 4.938 120.645 115.700 0.012 0.000 2.658 5 S HA 0.056 4.465 4.470 -0.102 0.000 0.249 5 S C 1.176 175.792 174.600 0.027 0.000 1.363 5 S CA 0.571 58.777 58.200 0.010 0.000 0.964 5 S CB 0.338 63.535 63.200 -0.004 0.000 0.973 5 S HN 0.820 nan 8.310 nan 0.000 0.588 6 R N 0.383 120.900 120.500 0.028 0.000 2.087 6 R HA 0.088 4.367 4.340 -0.102 0.000 0.216 6 R C 2.208 178.566 176.300 0.098 0.000 1.114 6 R CA 0.990 57.121 56.100 0.052 0.000 1.002 6 R CB -0.713 29.612 30.300 0.041 0.000 0.903 6 R HN 0.855 nan 8.270 nan 0.000 0.445 7 N N 0.267 119.011 118.700 0.072 0.000 2.205 7 N HA -0.150 4.529 4.740 -0.102 0.000 0.186 7 N C 1.436 177.109 175.510 0.271 0.000 1.015 7 N CA 0.930 54.053 53.050 0.121 0.000 0.862 7 N CB -0.041 38.342 38.487 -0.173 0.000 0.986 7 N HN 0.259 nan 8.380 nan 0.000 0.429 8 A N 0.611 123.515 122.820 0.142 0.000 2.206 8 A HA 0.003 4.262 4.320 -0.102 0.000 0.211 8 A C 1.151 178.840 177.584 0.175 0.000 1.158 8 A CA 0.725 52.865 52.037 0.173 0.000 0.761 8 A CB -0.258 18.788 19.000 0.077 0.000 0.801 8 A HN 0.386 nan 8.150 nan 0.000 0.473 18 S N 0.906 116.516 115.700 -0.151 0.000 2.399 18 S HA -0.109 4.300 4.470 -0.102 0.000 0.231 18 S C 1.439 175.962 174.600 -0.129 0.000 1.022 18 S CA 1.241 59.239 58.200 -0.337 0.000 0.983 18 S CB -0.388 62.134 63.200 -1.131 0.000 0.803 18 S HN 0.678 nan 8.310 nan 0.000 0.480 19 Y N 1.396 121.539 120.300 -0.262 0.000 2.151 19 Y HA -0.216 4.271 4.550 -0.104 0.000 0.284 19 Y C 1.567 177.406 175.900 -0.101 0.000 1.166 19 Y CA 1.543 59.485 58.100 -0.263 0.000 1.163 19 Y CB -0.378 37.788 38.460 -0.491 0.000 0.974 19 Y HN 0.217 nan 8.280 nan 0.000 0.511 20 F N -0.950 119.116 119.950 0.193 0.000 2.416 20 F HA -0.018 4.449 4.527 -0.100 0.000 0.296 20 F C 2.185 178.094 175.800 0.182 0.000 1.099 20 F CA 0.646 58.779 58.000 0.221 0.000 1.427 20 F CB -0.602 38.524 39.000 0.211 0.000 1.079 20 F HN 0.098 nan 8.300 nan 0.000 0.536 21 L N -0.323 121.111 121.223 0.351 0.000 1.988 21 L HA -0.065 4.214 4.340 -0.102 0.000 0.207 21 L C 2.620 179.709 176.870 0.364 0.000 1.071 21 L CA 1.733 56.776 54.840 0.338 0.000 0.744 21 L CB -1.047 41.253 42.059 0.401 0.000 0.893 21 L HN 0.223 nan 8.230 nan 0.000 0.433 22 G N -0.839 108.265 108.800 0.506 0.000 2.450 22 G HA2 -0.350 3.548 3.960 -0.102 0.000 0.220 22 G HA3 -0.350 3.548 3.960 -0.102 0.000 0.220 22 G C 1.241 176.324 174.900 0.304 0.000 1.130 22 G CA 0.666 46.016 45.100 0.416 0.000 0.760 22 G HN 0.595 nan 8.290 nan 0.000 0.557 23 W N 1.449 122.776 121.300 0.045 0.000 2.355 23 W HA -0.062 4.538 4.660 -0.101 0.000 0.309 23 W C 2.551 179.143 176.519 0.121 0.000 1.206 23 W CA 1.473 58.827 57.345 0.015 0.000 1.284 23 W CB -0.620 28.786 29.460 -0.091 0.000 1.145 23 W HN 0.374 nan 8.180 nan 0.000 0.502 24 Q N -0.393 119.518 119.800 0.185 0.000 2.119 24 Q HA -0.177 4.102 4.340 -0.102 0.000 0.201 24 Q C 1.912 177.951 176.000 0.065 0.000 0.972 24 Q CA 1.471 57.286 55.803 0.019 0.000 0.847 24 Q CB -0.339 28.399 28.738 -0.001 0.000 0.903 24 Q HN 0.201 nan 8.270 nan 0.000 0.433 25 E N 0.185 120.443 120.200 0.096 0.000 2.153 25 E HA -0.191 4.097 4.350 -0.102 0.000 0.194 25 E C 1.655 178.265 176.600 0.017 0.000 0.988 25 E CA 0.901 57.308 56.400 0.012 0.000 0.811 25 E CB -0.251 29.398 29.700 -0.085 0.000 0.746 25 E HN 0.466 nan 8.360 nan 0.000 0.466 26 Y N 2.452 122.758 120.300 0.010 0.000 2.200 26 Y HA -0.148 4.341 4.550 -0.101 0.000 0.290 26 Y C 1.978 177.903 175.900 0.042 0.000 1.137 26 Y CA 1.499 59.618 58.100 0.031 0.000 1.163 26 Y CB 0.092 38.624 38.460 0.120 0.000 0.988 26 Y HN -0.110 nan 8.280 nan 0.000 0.518 27 E N 0.994 121.186 120.200 -0.015 0.000 2.118 27 E HA -0.217 4.072 4.350 -0.102 0.000 0.195 27 E C 1.940 178.442 176.600 -0.163 0.000 0.992 27 E CA 1.689 58.019 56.400 -0.117 0.000 0.804 27 E CB -0.342 29.340 29.700 -0.030 0.000 0.741 27 E HN 0.598 nan 8.360 nan 0.000 0.458 28 K N 0.328 120.659 120.400 -0.115 0.000 2.148 28 K HA -0.100 4.159 4.320 -0.102 0.000 0.204 28 K C 0.936 177.459 176.600 -0.128 0.000 1.050 28 K CA 1.042 57.271 56.287 -0.097 0.000 0.942 28 K CB -0.024 32.441 32.500 -0.060 0.000 0.724 28 K HN -0.056 nan 8.250 nan 0.000 0.446 29 N N 0.096 118.684 118.700 -0.188 0.000 2.716 29 N HA 0.125 4.804 4.740 -0.102 0.000 0.245 29 N C -2.982 172.373 175.510 -0.260 0.000 1.495 29 N CA -1.792 51.144 53.050 -0.189 0.000 0.759 29 N CB 0.980 39.364 38.487 -0.172 0.000 1.261 29 N HN -0.163 nan 8.380 nan 0.000 0.515 30 P HA 0.081 nan 4.420 nan 0.000 0.275 30 P C -0.714 176.552 177.300 -0.058 0.000 1.228 30 P CA -0.194 62.590 63.100 -0.528 0.000 0.786 30 P CB 0.814 32.089 31.700 -0.709 0.000 0.927 31 Y N 2.774 123.099 120.300 0.042 0.000 2.336 31 Y HA 0.299 4.790 4.550 -0.098 0.000 0.331 31 Y C -0.150 175.834 175.900 0.141 0.000 1.211 31 Y CA 0.385 58.552 58.100 0.111 0.000 1.346 31 Y CB 0.435 38.981 38.460 0.143 0.000 1.271 31 Y HN 0.456 nan 8.280 nan 0.000 0.538 32 H N 5.667 124.150 119.070 -0.980 0.000 3.149 32 H HA 0.135 4.630 4.556 -0.102 0.000 0.334 32 H C -0.043 174.722 175.328 -0.938 0.000 1.000 32 H CA -0.202 55.394 56.048 -0.754 0.000 1.415 32 H CB 1.408 30.972 29.762 -0.330 0.000 1.819 32 H HN 0.963 nan 8.280 nan 0.000 0.486 33 E N 2.626 122.384 120.200 -0.736 0.000 2.510 33 E HA -0.019 4.269 4.350 -0.102 0.000 0.202 33 E C -0.060 176.523 176.600 -0.029 0.000 1.072 33 E CA 0.838 57.081 56.400 -0.261 0.000 0.883 33 E CB 0.364 30.030 29.700 -0.057 0.000 0.818 33 E HN 0.239 nan 8.360 nan 0.000 0.548 34 V N -0.794 119.209 119.914 0.149 0.000 3.141 34 V HA 0.016 4.075 4.120 -0.102 0.000 0.225 34 V C 1.523 177.668 176.094 0.085 0.000 1.352 34 V CA 0.618 62.976 62.300 0.096 0.000 1.316 34 V CB -0.082 31.756 31.823 0.024 0.000 1.126 34 V HN 0.296 nan 8.190 nan 0.000 0.493 35 H N -0.105 118.861 119.070 -0.174 0.000 2.418 35 H HA 0.190 4.685 4.556 -0.102 0.000 0.300 35 H C 0.832 176.071 175.328 -0.149 0.000 1.041 35 H CA 1.009 56.883 56.048 -0.289 0.000 1.364 35 H CB 0.557 29.963 29.762 -0.593 0.000 1.439 35 H HN 0.299 nan 8.280 nan 0.000 0.540 36 N N 0.526 119.234 118.700 0.013 0.000 2.765 36 N HA -0.000 4.678 4.740 -0.102 0.000 0.277 36 N C 0.421 175.918 175.510 -0.022 0.000 1.750 36 N CA -0.144 52.912 53.050 0.010 0.000 0.827 36 N CB 0.572 39.065 38.487 0.011 0.000 1.200 36 N HN 0.173 nan 8.380 nan 0.000 0.494 37 T N -2.635 111.928 114.554 0.016 0.000 3.098 37 T HA -0.071 4.217 4.350 -0.102 0.000 0.266 37 T C 1.037 175.962 174.700 0.376 0.000 1.145 37 T CA 0.940 63.127 62.100 0.145 0.000 1.092 37 T CB -0.264 68.700 68.868 0.159 0.000 0.908 37 T HN 0.434 nan 8.240 nan 0.000 0.526 38 N N 0.059 118.922 118.700 0.272 0.000 2.184 38 N HA 0.262 4.941 4.740 -0.102 0.000 0.206 38 N C 1.014 176.744 175.510 0.367 0.000 1.151 38 N CA -0.297 52.929 53.050 0.294 0.000 0.878 38 N CB 0.200 38.814 38.487 0.210 0.000 1.014 38 N HN 0.485 nan 8.380 nan 0.000 0.512 39 G N 0.661 109.650 108.800 0.314 0.000 2.653 39 G HA2 0.264 4.163 3.960 -0.102 0.000 0.265 39 G HA3 0.264 4.163 3.960 -0.102 0.000 0.265 39 G C -0.001 175.013 174.900 0.190 0.000 1.237 39 G CA -0.501 44.699 45.100 0.167 0.000 0.946 39 G HN 0.148 nan 8.290 nan 0.000 0.522 40 I N 0.207 120.797 120.570 0.034 0.000 2.556 40 I HA 0.098 4.207 4.170 -0.102 0.000 0.284 40 I C 0.214 176.498 176.117 0.278 0.000 1.114 40 I CA 0.204 61.559 61.300 0.091 0.000 1.418 40 I CB 0.783 38.805 38.000 0.036 0.000 1.394 40 I HN 0.135 nan 8.210 nan 0.000 0.552 41 I N 5.836 126.480 120.570 0.123 0.000 2.342 41 I HA 0.082 4.190 4.170 -0.102 0.000 0.291 41 I C 0.254 176.375 176.117 0.005 0.000 1.010 41 I CA -0.483 60.846 61.300 0.049 0.000 1.308 41 I CB 1.143 39.051 38.000 -0.154 0.000 1.400 41 I HN 0.536 nan 8.210 nan 0.000 0.488 42 Q N 7.421 127.163 119.800 -0.097 0.000 2.323 42 Q HA 0.282 4.561 4.340 -0.102 0.000 0.257 42 Q C -0.412 175.472 176.000 -0.192 0.000 1.022 42 Q CA 0.781 56.376 55.803 -0.346 0.000 0.919 42 Q CB 0.692 28.971 28.738 -0.766 0.000 1.220 42 Q HN 0.629 nan 8.270 nan 0.000 0.427 43 M N 2.859 122.377 119.600 -0.137 0.000 2.848 43 M HA 0.316 4.734 4.480 -0.102 0.000 0.420 43 M C 0.621 176.890 176.300 -0.051 0.000 1.304 43 M CA -0.028 55.230 55.300 -0.069 0.000 0.844 43 M CB 1.348 33.937 32.600 -0.018 0.000 1.451 43 M HN 0.715 nan 8.290 nan 0.000 0.511 44 G N 0.563 109.289 108.800 -0.123 0.000 3.192 44 G HA2 0.419 4.318 3.960 -0.102 0.000 0.239 44 G HA3 0.419 4.318 3.960 -0.102 0.000 0.239 44 G C 0.129 174.905 174.900 -0.207 0.000 1.084 44 G CA 0.009 45.041 45.100 -0.114 0.000 0.784 44 G HN 0.244 nan 8.290 nan 0.000 0.540 45 L N 1.350 122.424 121.223 -0.248 0.000 2.333 45 L HA 0.622 4.901 4.340 -0.102 0.000 0.280 45 L C 0.125 176.930 176.870 -0.108 0.000 1.004 45 L CA -1.118 53.563 54.840 -0.265 0.000 0.820 45 L CB 2.312 44.089 42.059 -0.470 0.000 1.247 45 L HN -0.009 nan 8.230 nan 0.000 0.416 46 A N 3.337 126.154 122.820 -0.005 0.000 2.797 46 A HA 0.413 4.672 4.320 -0.102 0.000 0.296 46 A C -0.109 177.501 177.584 0.044 0.000 1.580 46 A CA -0.179 51.918 52.037 0.101 0.000 1.277 46 A CB -0.465 18.720 19.000 0.308 0.000 1.101 46 A HN 0.630 nan 8.150 nan 0.000 0.562 47 E N 0.790 120.976 120.200 -0.023 0.000 2.336 47 E HA 0.332 4.620 4.350 -0.102 0.000 0.267 47 E C -1.225 175.349 176.600 -0.043 0.000 0.906 47 E CA -0.913 55.476 56.400 -0.019 0.000 0.781 47 E CB 1.561 31.253 29.700 -0.013 0.000 1.261 47 E HN 0.445 nan 8.360 nan 0.000 0.436 48 N N 1.179 119.852 118.700 -0.045 0.000 2.524 48 N HA 0.124 4.803 4.740 -0.102 0.000 0.261 48 N C -0.668 174.729 175.510 -0.188 0.000 0.998 48 N CA -0.017 52.975 53.050 -0.096 0.000 0.915 48 N CB 0.783 39.215 38.487 -0.091 0.000 1.187 48 N HN 0.295 nan 8.380 nan 0.000 0.507 49 Q N 3.216 122.949 119.800 -0.111 0.000 2.172 49 Q HA 0.270 4.549 4.340 -0.102 0.000 0.217 49 Q C 0.943 176.869 176.000 -0.124 0.000 0.832 49 Q CA -0.021 55.736 55.803 -0.078 0.000 1.010 49 Q CB 0.756 29.594 28.738 0.166 0.000 1.133 49 Q HN 0.616 nan 8.270 nan 0.000 0.489 50 L N -1.072 120.046 121.223 -0.175 0.000 2.341 50 L HA -0.010 4.269 4.340 -0.102 0.000 0.214 50 L C 1.200 177.986 176.870 -0.141 0.000 1.115 50 L CA 0.575 55.347 54.840 -0.114 0.000 0.820 50 L CB 0.250 42.256 42.059 -0.088 0.000 0.944 50 L HN 0.290 nan 8.230 nan 0.000 0.452 51 C N -1.187 117.968 119.300 -0.241 0.000 2.976 51 C HA 0.228 4.627 4.460 -0.102 0.000 0.274 51 C C 1.810 176.790 174.990 -0.016 0.000 1.487 51 C CA -0.881 58.044 59.018 -0.156 0.000 1.789 51 C CB -1.001 26.562 27.740 -0.295 0.000 2.771 51 C HN 0.303 nan 8.230 nan 0.000 0.551 52 F N 2.935 122.941 119.950 0.093 0.000 2.250 52 F HA -0.144 4.322 4.527 -0.101 0.000 0.301 52 F C 2.396 178.253 175.800 0.095 0.000 1.077 52 F CA 1.880 59.935 58.000 0.092 0.000 1.348 52 F CB -0.387 38.645 39.000 0.052 0.000 1.040 52 F HN 0.435 nan 8.300 nan 0.000 0.509 53 D N 0.399 120.943 120.400 0.239 0.000 2.178 53 D HA -0.209 4.369 4.640 -0.102 0.000 0.201 53 D C 2.059 178.460 176.300 0.168 0.000 0.980 53 D CA 1.218 55.319 54.000 0.169 0.000 0.842 53 D CB -0.891 39.975 40.800 0.109 0.000 0.948 53 D HN 0.312 nan 8.370 nan 0.000 0.472 54 L N -0.044 121.283 121.223 0.174 0.000 2.093 54 L HA -0.086 4.193 4.340 -0.102 0.000 0.208 54 L C 2.826 179.855 176.870 0.264 0.000 1.085 54 L CA 0.699 55.660 54.840 0.201 0.000 0.755 54 L CB -0.383 41.795 42.059 0.200 0.000 0.904 54 L HN 0.010 nan 8.230 nan 0.000 0.435 55 L N -0.661 120.729 121.223 0.279 0.000 2.095 55 L HA -0.118 4.160 4.340 -0.102 0.000 0.204 55 L C 2.448 179.483 176.870 0.274 0.000 1.080 55 L CA 1.012 56.003 54.840 0.251 0.000 0.759 55 L CB -0.473 41.715 42.059 0.214 0.000 0.914 55 L HN 0.251 nan 8.230 nan 0.000 0.439 56 E N -0.210 120.130 120.200 0.235 0.000 2.110 56 E HA -0.222 4.066 4.350 -0.102 0.000 0.193 56 E C 2.346 179.044 176.600 0.163 0.000 0.988 56 E CA 1.466 57.974 56.400 0.179 0.000 0.804 56 E CB -0.051 29.734 29.700 0.141 0.000 0.745 56 E HN 0.296 nan 8.360 nan 0.000 0.458 57 S N 0.026 115.829 115.700 0.172 0.000 2.356 57 S HA -0.195 4.213 4.470 -0.102 0.000 0.223 57 S C 1.646 176.332 174.600 0.144 0.000 1.032 57 S CA 1.161 59.441 58.200 0.134 0.000 1.005 57 S CB -0.336 62.943 63.200 0.131 0.000 0.867 57 S HN 0.522 nan 8.310 nan 0.000 0.449 58 W N 1.752 123.079 121.300 0.046 0.000 2.358 58 W HA -0.023 4.576 4.660 -0.102 0.000 0.303 58 W C 1.847 178.374 176.519 0.014 0.000 1.208 58 W CA 1.447 58.809 57.345 0.029 0.000 1.274 58 W CB -0.376 29.100 29.460 0.027 0.000 1.138 58 W HN 0.301 nan 8.180 nan 0.000 0.515 59 L N 0.258 121.660 121.223 0.299 0.000 2.131 59 L HA -0.172 4.107 4.340 -0.102 0.000 0.210 59 L C 2.656 179.497 176.870 -0.049 0.000 1.092 59 L CA 1.234 56.161 54.840 0.145 0.000 0.759 59 L CB -1.223 40.959 42.059 0.205 0.000 0.903 59 L HN 0.085 nan 8.230 nan 0.000 0.435 60 A N 0.053 122.857 122.820 -0.028 0.000 1.969 60 A HA -0.161 4.098 4.320 -0.102 0.000 0.218 60 A C 2.268 179.779 177.584 -0.121 0.000 1.169 60 A CA 1.355 53.361 52.037 -0.051 0.000 0.635 60 A CB -0.191 18.802 19.000 -0.013 0.000 0.810 60 A HN 0.341 nan 8.150 nan 0.000 0.445 61 K N -0.406 119.872 120.400 -0.203 0.000 2.314 61 K HA 0.069 4.328 4.320 -0.102 0.000 0.198 61 K C -0.338 176.034 176.600 -0.380 0.000 1.045 61 K CA 0.471 56.603 56.287 -0.258 0.000 0.988 61 K CB 0.169 32.514 32.500 -0.259 0.000 0.783 61 K HN 0.360 nan 8.250 nan 0.000 0.484 62 N N 1.669 120.024 118.700 -0.575 0.000 2.791 62 N HA 0.103 4.782 4.740 -0.102 0.000 0.265 62 N C -2.323 172.948 175.510 -0.398 0.000 1.580 62 N CA -0.770 51.897 53.050 -0.639 0.000 0.809 62 N CB 1.421 39.099 38.487 -1.348 0.000 1.178 62 N HN 0.031 nan 8.380 nan 0.000 0.499 63 P HA -0.043 nan 4.420 nan 0.000 0.233 63 P C 0.860 178.125 177.300 -0.058 0.000 1.167 63 P CA 0.795 63.833 63.100 -0.103 0.000 0.770 63 P CB 0.727 32.383 31.700 -0.074 0.000 0.837 64 E N 0.594 120.759 120.200 -0.058 0.000 2.051 64 E HA -0.148 4.141 4.350 -0.102 0.000 0.192 64 E C 2.261 178.887 176.600 0.045 0.000 0.991 64 E CA 1.316 57.718 56.400 0.003 0.000 0.799 64 E CB -0.494 29.214 29.700 0.014 0.000 0.748 64 E HN 0.197 nan 8.360 nan 0.000 0.449 65 A N 1.617 124.458 122.820 0.035 0.000 1.873 65 A HA -0.209 4.049 4.320 -0.102 0.000 0.218 65 A C 2.397 179.964 177.584 -0.028 0.000 1.193 65 A CA 2.062 54.110 52.037 0.020 0.000 0.629 65 A CB -0.778 18.193 19.000 -0.049 0.000 0.826 65 A HN 0.314 nan 8.150 nan 0.000 0.447 66 A N -0.907 121.870 122.820 -0.072 0.000 2.121 66 A HA 0.327 4.586 4.320 -0.102 0.000 0.218 66 A C 2.047 179.479 177.584 -0.252 0.000 1.154 66 A CA 1.544 53.473 52.037 -0.181 0.000 0.679 66 A CB -0.598 18.351 19.000 -0.084 0.000 0.795 66 A HN 1.134 nan 8.150 nan 0.000 0.458 67 A N -2.255 120.504 122.820 -0.102 0.000 2.307 67 A HA 0.499 4.758 4.320 -0.102 0.000 0.218 67 A C 0.430 178.118 177.584 0.174 0.000 1.228 67 A CA -0.283 51.764 52.037 0.016 0.000 0.857 67 A CB -0.742 18.287 19.000 0.049 0.000 0.897 67 A HN 0.671 nan 8.150 nan 0.000 0.495 68 F N -1.243 118.780 119.950 0.121 0.000 3.071 68 F HA -0.202 4.264 4.527 -0.102 0.000 0.295 68 F C 0.327 176.157 175.800 0.051 0.000 0.919 68 F CA 1.137 59.191 58.000 0.090 0.000 1.050 68 F CB -1.911 37.196 39.000 0.178 0.000 1.040 68 F HN 0.264 nan 8.300 nan 0.000 0.692 69 K N 0.460 120.976 120.400 0.193 0.000 2.371 69 K HA 0.685 4.944 4.320 -0.102 0.000 0.251 69 K C -0.354 176.342 176.600 0.161 0.000 0.934 69 K CA -1.137 55.235 56.287 0.142 0.000 0.798 69 K CB 2.971 35.533 32.500 0.104 0.000 1.204 69 K HN 0.112 nan 8.250 nan 0.000 0.427 70 K N 2.332 122.799 120.400 0.111 0.000 2.578 70 K HA 0.198 4.457 4.320 -0.102 0.000 0.250 70 K C -0.960 175.684 176.600 0.074 0.000 0.955 70 K CA -0.284 56.075 56.287 0.119 0.000 0.825 70 K CB 0.651 33.216 32.500 0.109 0.000 1.151 70 K HN 0.784 nan 8.250 nan 0.000 0.432 71 N N 3.062 121.801 118.700 0.065 0.000 2.735 71 N HA -0.236 4.442 4.740 -0.102 0.000 0.248 71 N C 0.393 175.925 175.510 0.036 0.000 1.083 71 N CA 0.524 53.601 53.050 0.044 0.000 0.703 71 N CB -0.797 37.715 38.487 0.040 0.000 1.005 71 N HN 1.083 nan 8.380 nan 0.000 0.550 72 G N -1.066 107.757 108.800 0.038 0.000 2.189 72 G HA2 -0.326 3.573 3.960 -0.102 0.000 0.267 72 G HA3 -0.326 3.573 3.960 -0.102 0.000 0.267 72 G C -0.236 174.685 174.900 0.035 0.000 0.975 72 G CA 0.778 45.897 45.100 0.032 0.000 0.644 72 G HN 0.464 nan 8.290 nan 0.000 0.537 73 E N 0.381 120.606 120.200 0.042 0.000 2.179 73 E HA 0.537 4.825 4.350 -0.102 0.000 0.275 73 E C -0.071 176.561 176.600 0.054 0.000 0.945 73 E CA -0.368 56.056 56.400 0.040 0.000 0.792 73 E CB 1.689 31.408 29.700 0.032 0.000 1.125 73 E HN 0.184 nan 8.360 nan 0.000 0.397 74 S N 2.096 117.830 115.700 0.056 0.000 2.528 74 S HA 0.266 4.674 4.470 -0.102 0.000 0.277 74 S C 0.779 175.422 174.600 0.070 0.000 1.297 74 S CA -0.474 57.776 58.200 0.083 0.000 1.052 74 S CB -0.178 63.067 63.200 0.075 0.000 0.917 74 S HN 0.517 nan 8.310 nan 0.000 0.492 75 I N 2.714 123.333 120.570 0.081 0.000 3.658 75 I HA 0.376 4.485 4.170 -0.102 0.000 0.328 75 I C 0.865 176.995 176.117 0.023 0.000 1.567 75 I CA -0.458 60.853 61.300 0.017 0.000 1.078 75 I CB -0.126 37.832 38.000 -0.070 0.000 1.267 75 I HN 0.590 nan 8.210 nan 0.000 0.495 76 F N 2.995 122.900 119.950 -0.076 0.000 2.069 76 F HA -0.185 4.281 4.527 -0.102 0.000 0.298 76 F C 2.466 178.143 175.800 -0.204 0.000 1.113 76 F CA 2.330 60.171 58.000 -0.265 0.000 1.214 76 F CB -0.066 38.672 39.000 -0.436 0.000 0.978 76 F HN 0.222 nan 8.300 nan 0.000 0.474 77 A N 0.026 122.795 122.820 -0.085 0.000 1.883 77 A HA -0.229 4.029 4.320 -0.102 0.000 0.217 77 A C 1.979 179.458 177.584 -0.175 0.000 1.186 77 A CA 2.019 53.970 52.037 -0.143 0.000 0.624 77 A CB -0.960 18.042 19.000 0.003 0.000 0.822 77 A HN 0.524 nan 8.150 nan 0.000 0.444 78 E N 0.066 120.203 120.200 -0.104 0.000 2.077 78 E HA -0.131 4.157 4.350 -0.102 0.000 0.193 78 E C 1.915 178.478 176.600 -0.062 0.000 0.989 78 E CA 1.266 57.631 56.400 -0.059 0.000 0.800 78 E CB -0.328 29.348 29.700 -0.040 0.000 0.746 78 E HN 0.634 nan 8.360 nan 0.000 0.452 79 L N 0.068 121.206 121.223 -0.140 0.000 2.109 79 L HA -0.073 4.205 4.340 -0.102 0.000 0.207 79 L C 2.407 179.189 176.870 -0.148 0.000 1.086 79 L CA 0.858 55.637 54.840 -0.102 0.000 0.760 79 L CB -0.457 41.549 42.059 -0.089 0.000 0.910 79 L HN 0.163 nan 8.230 nan 0.000 0.437 80 A N 0.097 122.673 122.820 -0.406 0.000 1.978 80 A HA -0.164 4.095 4.320 -0.102 0.000 0.220 80 A C 2.138 179.606 177.584 -0.194 0.000 1.170 80 A CA 1.504 53.284 52.037 -0.428 0.000 0.636 80 A CB -0.581 17.996 19.000 -0.705 0.000 0.810 80 A HN 0.419 nan 8.150 nan 0.000 0.448 81 L N -2.230 118.915 121.223 -0.131 0.000 2.558 81 L HA 0.189 4.468 4.340 -0.102 0.000 0.225 81 L C 0.503 177.352 176.870 -0.034 0.000 1.128 81 L CA -0.384 54.411 54.840 -0.075 0.000 0.868 81 L CB -0.058 41.965 42.059 -0.060 0.000 1.006 81 L HN 0.386 nan 8.230 nan 0.000 0.454 82 F N 2.511 122.400 119.950 -0.102 0.000 2.462 82 F HA 0.060 4.526 4.527 -0.102 0.000 0.360 82 F C 1.222 176.991 175.800 -0.053 0.000 1.134 82 F CA -0.111 57.850 58.000 -0.064 0.000 1.148 82 F CB 0.237 39.211 39.000 -0.044 0.000 1.147 82 F HN 0.116 nan 8.300 nan 0.000 0.550 83 Q N 2.749 122.192 119.800 -0.595 0.000 2.086 83 Q HA 0.157 4.436 4.340 -0.102 0.000 0.220 83 Q C -0.469 175.217 176.000 -0.524 0.000 0.792 83 Q CA -0.563 54.993 55.803 -0.412 0.000 1.062 83 Q CB 0.146 28.736 28.738 -0.248 0.000 1.198 83 Q HN 0.439 nan 8.270 nan 0.000 0.466 84 D N 1.546 121.400 120.400 -0.911 0.000 2.450 84 D HA -0.088 4.491 4.640 -0.102 0.000 0.247 84 D C 0.365 176.543 176.300 -0.203 0.000 1.162 84 D CA 0.028 53.682 54.000 -0.577 0.000 0.879 84 D CB 0.707 41.163 40.800 -0.573 0.000 1.163 84 D HN 0.360 nan 8.370 nan 0.000 0.472 85 Y N 2.598 122.778 120.300 -0.200 0.000 2.632 85 Y HA 0.047 4.536 4.550 -0.102 0.000 0.301 85 Y C 1.168 176.954 175.900 -0.190 0.000 1.172 85 Y CA 0.385 58.365 58.100 -0.199 0.000 1.328 85 Y CB -1.226 37.074 38.460 -0.266 0.000 1.016 85 Y HN 0.462 nan 8.280 nan 0.000 0.529 86 H N 0.478 119.740 119.070 0.320 0.000 2.548 86 H HA 0.410 4.905 4.556 -0.102 0.000 0.265 86 H C 1.445 176.906 175.328 0.221 0.000 0.969 86 H CA 0.359 56.534 56.048 0.212 0.000 1.155 86 H CB 0.158 30.038 29.762 0.197 0.000 1.394 86 H HN 0.546 nan 8.280 nan 0.000 0.570 87 G N 0.533 109.567 108.800 0.389 0.000 2.758 87 G HA2 -0.240 3.658 3.960 -0.102 0.000 0.686 87 G HA3 -0.240 3.658 3.960 -0.102 0.000 0.686 87 G C -0.944 174.291 174.900 0.559 0.000 1.389 87 G CA -0.664 44.708 45.100 0.454 0.000 0.845 87 G HN 0.242 nan 8.290 nan 0.000 0.572 88 L N 2.413 123.876 121.223 0.399 0.000 2.433 88 L HA 0.440 4.719 4.340 -0.102 0.000 0.275 88 L C -0.456 176.477 176.870 0.105 0.000 1.128 88 L CA -0.937 53.879 54.840 -0.041 0.000 0.875 88 L CB 1.006 42.950 42.059 -0.192 0.000 1.171 88 L HN 0.364 nan 8.230 nan 0.000 0.463 89 P HA -0.279 nan 4.420 nan 0.000 0.217 89 P C 1.261 178.614 177.300 0.088 0.000 1.162 89 P CA 2.402 65.557 63.100 0.093 0.000 0.901 89 P CB 0.140 31.881 31.700 0.067 0.000 0.793 90 A N -1.771 121.091 122.820 0.070 0.000 1.940 90 A HA -0.220 4.039 4.320 -0.102 0.000 0.219 90 A C 2.113 179.788 177.584 0.152 0.000 1.176 90 A CA 1.484 53.574 52.037 0.089 0.000 0.631 90 A CB -1.727 17.316 19.000 0.072 0.000 0.814 90 A HN 0.143 nan 8.150 nan 0.000 0.446 91 F N 0.745 120.690 119.950 -0.008 0.000 2.163 91 F HA -0.030 4.435 4.527 -0.102 0.000 0.297 91 F C 2.054 177.878 175.800 0.039 0.000 1.094 91 F CA 1.471 59.470 58.000 -0.001 0.000 1.290 91 F CB -0.144 38.854 39.000 -0.003 0.000 1.017 91 F HN 0.046 nan 8.300 nan 0.000 0.483 92 K N 0.469 120.860 120.400 -0.016 0.000 2.063 92 K HA -0.220 4.038 4.320 -0.102 0.000 0.208 92 K C 2.070 178.643 176.600 -0.046 0.000 1.048 92 K CA 1.471 57.708 56.287 -0.083 0.000 0.928 92 K CB -0.541 31.994 32.500 0.059 0.000 0.713 92 K HN 0.170 nan 8.250 nan 0.000 0.442 93 K N 1.458 121.869 120.400 0.020 0.000 2.057 93 K HA -0.025 4.234 4.320 -0.102 0.000 0.206 93 K C 1.937 178.550 176.600 0.021 0.000 1.050 93 K CA 1.525 57.836 56.287 0.040 0.000 0.935 93 K CB -0.476 32.060 32.500 0.059 0.000 0.715 93 K HN 0.075 nan 8.250 nan 0.000 0.439 94 A N 0.575 123.399 122.820 0.008 0.000 1.933 94 A HA -0.121 4.138 4.320 -0.102 0.000 0.218 94 A C 2.149 179.719 177.584 -0.023 0.000 1.175 94 A CA 1.691 53.733 52.037 0.009 0.000 0.628 94 A CB -0.457 18.571 19.000 0.046 0.000 0.814 94 A HN 0.307 nan 8.150 nan 0.000 0.444 95 M N 0.037 119.544 119.600 -0.155 0.000 2.099 95 M HA -0.128 4.291 4.480 -0.102 0.000 0.262 95 M C 2.385 178.659 176.300 -0.044 0.000 1.067 95 M CA 2.013 57.230 55.300 -0.138 0.000 1.124 95 M CB -1.301 31.085 32.600 -0.358 0.000 1.353 95 M HN 0.505 nan 8.290 nan 0.000 0.410 96 V N -1.709 118.181 119.914 -0.041 0.000 2.490 96 V HA -0.195 3.864 4.120 -0.102 0.000 0.250 96 V C 1.647 177.773 176.094 0.054 0.000 1.061 96 V CA 1.985 64.278 62.300 -0.012 0.000 1.064 96 V CB -1.063 30.826 31.823 0.110 0.000 0.670 96 V HN 0.203 nan 8.190 nan 0.000 0.461 97 D N -0.014 120.430 120.400 0.073 0.000 2.117 97 D HA -0.085 4.494 4.640 -0.102 0.000 0.198 97 D C 1.766 178.140 176.300 0.123 0.000 0.982 97 D CA 1.412 55.469 54.000 0.096 0.000 0.828 97 D CB -0.366 40.489 40.800 0.090 0.000 0.967 97 D HN 0.530 nan 8.370 nan 0.000 0.464 98 F N 0.861 120.777 119.950 -0.056 0.000 2.186 98 F HA -0.038 4.427 4.527 -0.102 0.000 0.299 98 F C 2.228 177.953 175.800 -0.124 0.000 1.090 98 F CA 1.024 58.983 58.000 -0.069 0.000 1.307 98 F CB -0.273 38.692 39.000 -0.058 0.000 1.019 98 F HN -0.137 nan 8.300 nan 0.000 0.489 99 M N -0.502 118.963 119.600 -0.225 0.000 2.159 99 M HA -0.149 4.270 4.480 -0.102 0.000 0.263 99 M C 2.387 178.594 176.300 -0.155 0.000 1.063 99 M CA 1.588 56.601 55.300 -0.478 0.000 1.110 99 M CB -0.622 31.469 32.600 -0.849 0.000 1.374 99 M HN 0.224 nan 8.290 nan 0.000 0.411 100 A N 0.052 122.896 122.820 0.039 0.000 1.873 100 A HA -0.203 4.056 4.320 -0.102 0.000 0.215 100 A C 1.974 179.562 177.584 0.006 0.000 1.186 100 A CA 1.879 53.985 52.037 0.115 0.000 0.616 100 A CB -0.750 18.314 19.000 0.107 0.000 0.823 100 A HN 0.542 nan 8.150 nan 0.000 0.442 101 E N -0.073 120.102 120.200 -0.041 0.000 2.085 101 E HA -0.192 4.097 4.350 -0.102 0.000 0.194 101 E C 1.823 178.353 176.600 -0.117 0.000 0.994 101 E CA 1.401 57.767 56.400 -0.057 0.000 0.801 101 E CB -0.272 29.415 29.700 -0.023 0.000 0.743 101 E HN 0.647 nan 8.360 nan 0.000 0.453 102 I N 0.514 120.925 120.570 -0.265 0.000 2.335 102 I HA -0.253 3.856 4.170 -0.102 0.000 0.251 102 I C 1.908 178.013 176.117 -0.020 0.000 1.129 102 I CA 1.168 62.324 61.300 -0.241 0.000 1.402 102 I CB -0.142 37.602 38.000 -0.426 0.000 1.069 102 I HN 0.032 nan 8.210 nan 0.000 0.424 103 R N 0.810 121.322 120.500 0.020 0.000 2.449 103 R HA 0.185 4.464 4.340 -0.102 0.000 0.262 103 R C 1.119 177.443 176.300 0.039 0.000 1.006 103 R CA 0.474 56.630 56.100 0.094 0.000 1.104 103 R CB 0.082 30.444 30.300 0.103 0.000 1.206 103 R HN 0.413 nan 8.270 nan 0.000 0.538 104 G N 2.016 110.833 108.800 0.029 0.000 2.258 104 G HA2 -0.355 3.543 3.960 -0.102 0.000 0.274 104 G HA3 -0.355 3.543 3.960 -0.102 0.000 0.274 104 G C 0.079 174.981 174.900 0.003 0.000 1.021 104 G CA 0.394 45.505 45.100 0.019 0.000 0.798 104 G HN 0.547 nan 8.290 nan 0.000 0.507 105 N N -1.776 116.924 118.700 -0.001 0.000 2.708 105 N HA -0.169 4.510 4.740 -0.102 0.000 0.251 105 N C 1.323 176.812 175.510 -0.036 0.000 1.123 105 N CA 1.792 54.835 53.050 -0.011 0.000 0.739 105 N CB -0.866 37.619 38.487 -0.002 0.000 1.113 105 N HN 0.775 nan 8.380 nan 0.000 0.561 106 K N -0.024 120.349 120.400 -0.045 0.000 2.432 106 K HA 0.056 4.315 4.320 -0.102 0.000 0.196 106 K C 0.881 177.411 176.600 -0.116 0.000 1.038 106 K CA 0.907 57.151 56.287 -0.071 0.000 0.986 106 K CB 0.439 32.897 32.500 -0.070 0.000 0.782 106 K HN 0.305 nan 8.250 nan 0.000 0.485 107 V N -2.822 117.004 119.914 -0.146 0.000 2.971 107 V HA 0.462 4.521 4.120 -0.102 0.000 0.309 107 V C -0.770 175.121 176.094 -0.337 0.000 1.130 107 V CA -0.959 61.172 62.300 -0.280 0.000 0.964 107 V CB 2.057 33.643 31.823 -0.394 0.000 1.029 107 V HN -0.172 nan 8.190 nan 0.000 0.427 108 T N 3.328 117.626 114.554 -0.427 0.000 2.885 108 T HA 0.817 5.106 4.350 -0.102 0.000 0.285 108 T C -1.118 173.243 174.700 -0.565 0.000 1.019 108 T CA -0.065 61.846 62.100 -0.315 0.000 1.010 108 T CB 1.426 70.211 68.868 -0.139 0.000 1.022 108 T HN 0.557 nan 8.240 nan 0.000 0.466 109 F N 1.260 121.128 119.950 -0.137 0.000 2.507 109 F HA 0.366 4.832 4.527 -0.103 0.000 0.325 109 F C 0.335 176.184 175.800 0.082 0.000 1.116 109 F CA -1.193 56.692 58.000 -0.192 0.000 0.930 109 F CB 1.320 40.035 39.000 -0.475 0.000 1.146 109 F HN 0.400 nan 8.300 nan 0.000 0.447 110 D N 5.328 126.005 120.400 0.462 0.000 2.325 110 D HA 0.158 4.737 4.640 -0.102 0.000 0.251 110 D C -1.507 175.070 176.300 0.461 0.000 1.196 110 D CA -2.341 51.885 54.000 0.377 0.000 0.866 110 D CB 1.562 42.545 40.800 0.305 0.000 1.101 110 D HN 0.169 nan 8.370 nan 0.000 0.476 111 P HA -0.137 nan 4.420 nan 0.000 0.219 111 P C 0.662 178.101 177.300 0.232 0.000 1.146 111 P CA 0.661 63.910 63.100 0.248 0.000 0.808 111 P CB 0.453 32.249 31.700 0.160 0.000 0.779 112 N N -0.801 118.039 118.700 0.234 0.000 2.512 112 N HA -0.103 4.575 4.740 -0.102 0.000 0.183 112 N C 1.328 176.875 175.510 0.062 0.000 1.073 112 N CA 0.786 53.930 53.050 0.158 0.000 0.911 112 N CB -0.572 38.004 38.487 0.149 0.000 0.964 112 N HN 0.456 nan 8.380 nan 0.000 0.447 113 H N -0.754 118.356 119.070 0.066 0.000 2.594 113 H HA 0.170 4.665 4.556 -0.102 0.000 0.279 113 H C -0.222 174.985 175.328 -0.201 0.000 1.042 113 H CA -0.340 55.621 56.048 -0.145 0.000 1.177 113 H CB 0.901 30.457 29.762 -0.344 0.000 1.524 113 H HN 0.047 nan 8.280 nan 0.000 0.537 114 L N 1.662 122.983 121.223 0.163 0.000 2.309 114 L HA 0.355 4.633 4.340 -0.102 0.000 0.282 114 L C -0.747 176.174 176.870 0.085 0.000 1.036 114 L CA -0.583 54.387 54.840 0.216 0.000 0.806 114 L CB 1.530 43.755 42.059 0.278 0.000 1.220 114 L HN -0.241 nan 8.230 nan 0.000 0.429 115 V N 6.068 126.009 119.914 0.044 0.000 2.483 115 V HA 0.394 4.453 4.120 -0.102 0.000 0.297 115 V C -0.038 176.067 176.094 0.019 0.000 1.027 115 V CA -0.693 61.600 62.300 -0.011 0.000 0.855 115 V CB 1.558 33.314 31.823 -0.111 0.000 0.995 115 V HN 0.607 nan 8.190 nan 0.000 0.424 116 L N 4.820 126.075 121.223 0.053 0.000 2.397 116 L HA 0.693 4.972 4.340 -0.102 0.000 0.271 116 L C 0.619 177.531 176.870 0.069 0.000 1.148 116 L CA 0.197 55.090 54.840 0.088 0.000 0.825 116 L CB 1.385 43.545 42.059 0.168 0.000 1.117 116 L HN 0.875 nan 8.230 nan 0.000 0.456 117 T N -1.154 113.448 114.554 0.080 0.000 2.864 117 T HA 0.598 4.887 4.350 -0.102 0.000 0.299 117 T C -0.358 174.399 174.700 0.096 0.000 1.166 117 T CA -0.782 61.362 62.100 0.073 0.000 1.007 117 T CB 1.728 70.627 68.868 0.052 0.000 1.219 117 T HN 0.589 nan 8.240 nan 0.000 0.506 118 A N 1.232 124.113 122.820 0.101 0.000 2.981 118 A HA 0.646 4.904 4.320 -0.102 0.000 0.280 118 A C 1.314 178.962 177.584 0.108 0.000 1.743 118 A CA 0.369 52.471 52.037 0.110 0.000 1.430 118 A CB -1.801 17.267 19.000 0.114 0.000 1.085 118 A HN 2.284 nan 8.150 nan 0.000 0.597 119 G N -0.287 108.567 108.800 0.090 0.000 2.781 119 G HA2 0.230 4.129 3.960 -0.102 0.000 0.683 119 G HA3 0.230 4.129 3.960 -0.102 0.000 0.683 119 G C 0.801 175.744 174.900 0.071 0.000 1.390 119 G CA -0.336 44.805 45.100 0.068 0.000 0.850 119 G HN 1.715 nan 8.290 nan 0.000 0.557 120 A N -0.441 122.406 122.820 0.046 0.000 2.067 120 A HA 0.205 4.464 4.320 -0.102 0.000 0.219 120 A C 2.560 180.239 177.584 0.158 0.000 1.158 120 A CA 2.706 54.794 52.037 0.086 0.000 0.661 120 A CB -0.641 18.381 19.000 0.037 0.000 0.801 120 A HN 1.476 nan 8.150 nan 0.000 0.452 121 T N -0.538 114.114 114.554 0.163 0.000 2.684 121 T HA -0.154 4.135 4.350 -0.102 0.000 0.267 121 T C 2.272 177.094 174.700 0.204 0.000 1.036 121 T CA 1.874 64.108 62.100 0.223 0.000 1.148 121 T CB -0.269 68.733 68.868 0.223 0.000 0.863 121 T HN 0.539 nan 8.240 nan 0.000 0.436 122 S N 0.483 116.283 115.700 0.167 0.000 2.371 122 S HA 0.038 4.447 4.470 -0.102 0.000 0.224 122 S C 2.394 177.075 174.600 0.136 0.000 1.029 122 S CA 1.120 59.412 58.200 0.153 0.000 0.978 122 S CB -0.494 62.785 63.200 0.132 0.000 0.833 122 S HN 0.499 nan 8.310 nan 0.000 0.466 123 A N 2.359 125.253 122.820 0.124 0.000 1.883 123 A HA -0.135 4.124 4.320 -0.102 0.000 0.217 123 A C 2.064 179.754 177.584 0.176 0.000 1.186 123 A CA 1.819 53.919 52.037 0.105 0.000 0.624 123 A CB -0.943 18.137 19.000 0.132 0.000 0.822 123 A HN 0.606 nan 8.150 nan 0.000 0.444 124 N N -0.450 118.388 118.700 0.229 0.000 2.120 124 N HA -0.165 4.514 4.740 -0.102 0.000 0.188 124 N C 1.794 177.401 175.510 0.162 0.000 1.024 124 N CA 1.498 54.690 53.050 0.236 0.000 0.852 124 N CB -0.399 38.232 38.487 0.241 0.000 1.003 124 N HN 0.758 nan 8.380 nan 0.000 0.424 125 E N 0.325 120.612 120.200 0.145 0.000 2.077 125 E HA -0.123 4.165 4.350 -0.102 0.000 0.193 125 E C 1.300 177.978 176.600 0.130 0.000 0.989 125 E CA 1.208 57.656 56.400 0.079 0.000 0.800 125 E CB 0.083 29.863 29.700 0.132 0.000 0.746 125 E HN 0.205 nan 8.360 nan 0.000 0.452 126 T N 0.441 115.106 114.554 0.184 0.000 2.746 126 T HA -0.140 4.149 4.350 -0.102 0.000 0.267 126 T C 1.360 176.108 174.700 0.080 0.000 1.039 126 T CA 1.086 63.288 62.100 0.170 0.000 1.142 126 T CB -0.347 68.534 68.868 0.022 0.000 0.866 126 T HN 0.150 nan 8.240 nan 0.000 0.444 127 F N 1.222 121.174 119.950 0.003 0.000 2.134 127 F HA -0.051 4.415 4.527 -0.102 0.000 0.299 127 F C 2.154 177.883 175.800 -0.120 0.000 1.097 127 F CA 0.382 58.328 58.000 -0.090 0.000 1.264 127 F CB -0.477 38.459 39.000 -0.107 0.000 1.001 127 F HN 0.111 nan 8.300 nan 0.000 0.479 128 I N -1.269 119.351 120.570 0.084 0.000 2.226 128 I HA -0.300 3.808 4.170 -0.102 0.000 0.245 128 I C 2.414 178.493 176.117 -0.063 0.000 1.100 128 I CA 1.413 62.671 61.300 -0.069 0.000 1.374 128 I CB -1.536 36.351 38.000 -0.188 0.000 1.057 128 I HN 0.027 nan 8.210 nan 0.000 0.413 129 F N 1.030 120.963 119.950 -0.027 0.000 2.161 129 F HA -0.236 4.230 4.527 -0.102 0.000 0.300 129 F C 2.781 178.545 175.800 -0.060 0.000 1.089 129 F CA 1.292 59.263 58.000 -0.048 0.000 1.282 129 F CB -0.962 38.006 39.000 -0.054 0.000 1.010 129 F HN 0.124 nan 8.300 nan 0.000 0.485 130 C N -0.608 118.766 119.300 0.123 0.000 2.464 130 C HA 0.001 4.400 4.460 -0.102 0.000 0.278 130 C C 2.542 177.504 174.990 -0.046 0.000 1.375 130 C CA 0.550 59.576 59.018 0.013 0.000 1.761 130 C CB -1.080 26.631 27.740 -0.049 0.000 1.944 130 C HN 0.368 nan 8.230 nan 0.000 0.509 131 L N -0.457 120.721 121.223 -0.075 0.000 2.638 131 L HA 0.355 4.633 4.340 -0.102 0.000 0.232 131 L C 0.820 177.639 176.870 -0.085 0.000 1.099 131 L CA 0.210 54.950 54.840 -0.167 0.000 0.883 131 L CB -0.188 41.668 42.059 -0.338 0.000 1.136 131 L HN 0.177 nan 8.230 nan 0.000 0.492 132 A N -0.702 122.087 122.820 -0.052 0.000 2.449 132 A HA 0.602 4.861 4.320 -0.102 0.000 0.302 132 A C -1.409 176.163 177.584 -0.020 0.000 1.048 132 A CA -0.640 51.373 52.037 -0.040 0.000 0.708 132 A CB 1.438 20.399 19.000 -0.065 0.000 1.274 132 A HN -0.084 nan 8.150 nan 0.000 0.410 133 D N 1.358 121.751 120.400 -0.013 0.000 2.332 133 D HA 0.485 5.064 4.640 -0.102 0.000 0.252 133 D C -2.570 173.721 176.300 -0.015 0.000 1.050 133 D CA -1.162 52.839 54.000 0.001 0.000 0.970 133 D CB 0.978 41.780 40.800 0.004 0.000 1.141 133 D HN 0.166 nan 8.370 nan 0.000 0.485 134 P HA 0.117 nan 4.420 nan 0.000 0.265 134 P C 0.747 178.036 177.300 -0.019 0.000 1.193 134 P CA 0.722 63.812 63.100 -0.016 0.000 0.765 134 P CB 0.528 32.228 31.700 -0.000 0.000 0.823 135 G N 1.497 110.281 108.800 -0.027 0.000 2.213 135 G HA2 -0.199 3.700 3.960 -0.102 0.000 0.236 135 G HA3 -0.199 3.700 3.960 -0.102 0.000 0.236 135 G C 0.183 175.063 174.900 -0.035 0.000 0.991 135 G CA -0.230 44.855 45.100 -0.026 0.000 0.629 135 G HN 0.539 nan 8.290 nan 0.000 0.517 136 E N -0.007 120.169 120.200 -0.040 0.000 2.504 136 E HA 0.763 5.052 4.350 -0.102 0.000 0.253 136 E C 0.311 176.876 176.600 -0.059 0.000 1.151 136 E CA -0.197 56.176 56.400 -0.046 0.000 0.972 136 E CB 1.488 31.166 29.700 -0.037 0.000 1.247 136 E HN 0.859 nan 8.360 nan 0.000 0.519 137 A N 0.213 122.995 122.820 -0.063 0.000 2.566 137 A HA 0.635 4.894 4.320 -0.102 0.000 0.292 137 A C -1.534 176.007 177.584 -0.072 0.000 1.112 137 A CA -0.610 51.382 52.037 -0.075 0.000 0.707 137 A CB 1.968 20.920 19.000 -0.080 0.000 1.302 137 A HN 0.284 nan 8.150 nan 0.000 0.409 138 V N 1.101 120.958 119.914 -0.095 0.000 2.876 138 V HA 0.676 4.734 4.120 -0.102 0.000 0.312 138 V C -1.246 174.782 176.094 -0.110 0.000 1.085 138 V CA -0.779 61.462 62.300 -0.097 0.000 0.945 138 V CB 1.696 33.429 31.823 -0.151 0.000 1.017 138 V HN 0.803 nan 8.190 nan 0.000 0.428 139 L N 6.646 127.829 121.223 -0.068 0.000 2.307 139 L HA 0.633 4.912 4.340 -0.102 0.000 0.282 139 L C -0.662 176.126 176.870 -0.138 0.000 1.051 139 L CA -0.433 54.363 54.840 -0.073 0.000 0.804 139 L CB 1.503 43.577 42.059 0.025 0.000 1.197 139 L HN 0.490 nan 8.230 nan 0.000 0.431 140 I N 3.325 123.788 120.570 -0.178 0.000 2.534 140 I HA 0.335 4.444 4.170 -0.102 0.000 0.288 140 I C -2.483 173.589 176.117 -0.075 0.000 1.077 140 I CA -2.101 59.071 61.300 -0.214 0.000 1.051 140 I CB 2.486 40.185 38.000 -0.503 0.000 1.234 140 I HN 0.275 nan 8.210 nan 0.000 0.425 141 P HA 0.069 nan 4.420 nan 0.000 0.268 141 P C -0.417 176.985 177.300 0.170 0.000 1.204 141 P CA 0.026 63.152 63.100 0.043 0.000 0.768 141 P CB 0.492 32.205 31.700 0.022 0.000 0.842 142 T N 1.202 115.857 114.554 0.168 0.000 2.902 142 T HA 0.602 4.891 4.350 -0.102 0.000 0.283 142 T C -2.548 172.184 174.700 0.054 0.000 1.009 142 T CA -2.629 59.576 62.100 0.175 0.000 1.051 142 T CB 1.223 70.234 68.868 0.238 0.000 0.999 142 T HN 0.146 nan 8.240 nan 0.000 0.474 143 P HA 0.318 nan 4.420 nan 0.000 0.276 143 P C -1.377 175.808 177.300 -0.192 0.000 1.244 143 P CA -0.346 62.595 63.100 -0.265 0.000 0.801 143 P CB 0.418 31.797 31.700 -0.535 0.000 1.006 144 Y N -0.912 119.308 120.300 -0.134 0.000 2.669 144 Y HA 0.499 4.988 4.550 -0.101 0.000 0.335 144 Y C -0.710 175.100 175.900 -0.150 0.000 1.116 144 Y CA -2.101 55.956 58.100 -0.072 0.000 1.081 144 Y CB -0.012 38.534 38.460 0.144 0.000 1.297 144 Y HN 0.267 nan 8.280 nan 0.000 0.484 145 Y N 4.494 124.732 120.300 -0.103 0.000 2.745 145 Y HA 0.268 4.755 4.550 -0.103 0.000 0.335 145 Y C -1.943 173.753 175.900 -0.340 0.000 1.212 145 Y CA -2.693 55.123 58.100 -0.474 0.000 1.535 145 Y CB 0.647 38.581 38.460 -0.878 0.000 1.220 145 Y HN 0.506 nan 8.280 nan 0.000 0.531 146 P HA -0.165 nan 4.420 nan 0.000 0.217 146 P C 1.499 178.318 177.300 -0.801 0.000 1.148 146 P CA 2.478 65.123 63.100 -0.759 0.000 0.828 146 P CB 0.088 31.133 31.700 -1.092 0.000 0.783 147 G N -1.507 106.280 108.800 -1.688 0.000 2.470 147 G HA2 -0.255 3.644 3.960 -0.102 0.000 0.220 147 G HA3 -0.255 3.644 3.960 -0.102 0.000 0.220 147 G C 1.075 175.742 174.900 -0.388 0.000 1.121 147 G CA 0.236 44.688 45.100 -1.080 0.000 0.766 147 G HN 0.138 nan 8.290 nan 0.000 0.553 148 F N 1.765 121.495 119.950 -0.368 0.000 2.202 148 F HA -0.016 4.450 4.527 -0.102 0.000 0.301 148 F C 2.199 177.973 175.800 -0.044 0.000 1.082 148 F CA 0.437 58.383 58.000 -0.091 0.000 1.313 148 F CB -0.392 38.528 39.000 -0.133 0.000 1.024 148 F HN 0.143 nan 8.300 nan 0.000 0.495 149 D N -0.474 120.047 120.400 0.202 0.000 2.263 149 D HA -0.160 4.419 4.640 -0.102 0.000 0.208 149 D C 2.414 178.771 176.300 0.094 0.000 0.971 149 D CA 0.808 54.898 54.000 0.151 0.000 0.867 149 D CB -0.117 40.794 40.800 0.185 0.000 0.929 149 D HN 0.324 nan 8.370 nan 0.000 0.492 150 R N 0.477 121.036 120.500 0.100 0.000 2.102 150 R HA -0.056 4.223 4.340 -0.102 0.000 0.208 150 R C 1.253 177.675 176.300 0.203 0.000 1.131 150 R CA 0.439 56.600 56.100 0.101 0.000 1.054 150 R CB 0.209 30.534 30.300 0.041 0.000 0.954 150 R HN -0.162 nan 8.270 nan 0.000 0.465 151 D N 1.481 122.007 120.400 0.210 0.000 2.116 151 D HA -0.184 4.395 4.640 -0.102 0.000 0.193 151 D C 1.907 178.282 176.300 0.123 0.000 0.998 151 D CA 1.470 55.605 54.000 0.225 0.000 0.836 151 D CB -0.137 40.853 40.800 0.316 0.000 0.951 151 D HN 0.321 nan 8.370 nan 0.000 0.449 152 L N -0.456 120.811 121.223 0.074 0.000 2.446 152 L HA 0.103 4.381 4.340 -0.102 0.000 0.219 152 L C 1.871 178.687 176.870 -0.090 0.000 1.116 152 L CA 0.624 55.428 54.840 -0.061 0.000 0.844 152 L CB 0.023 41.991 42.059 -0.151 0.000 0.970 152 L HN -0.033 nan 8.230 nan 0.000 0.457 153 K N -1.781 118.616 120.400 -0.005 0.000 2.424 153 K HA -0.013 4.246 4.320 -0.102 0.000 0.198 153 K C 1.648 178.305 176.600 0.095 0.000 1.190 153 K CA -0.106 56.183 56.287 0.003 0.000 0.935 153 K CB -0.140 32.372 32.500 0.020 0.000 1.087 153 K HN 0.024 nan 8.250 nan 0.000 0.524 154 W N 3.576 124.841 121.300 -0.059 0.000 2.298 154 W HA -0.185 4.415 4.660 -0.101 0.000 0.328 154 W C 1.553 178.049 176.519 -0.037 0.000 1.259 154 W CA 1.756 59.080 57.345 -0.035 0.000 1.251 154 W CB -0.147 29.308 29.460 -0.007 0.000 1.161 154 W HN -0.102 nan 8.180 nan 0.000 0.466 155 R N -1.077 119.375 120.500 -0.081 0.000 2.312 155 R HA 0.057 4.336 4.340 -0.102 0.000 0.205 155 R C 1.965 178.197 176.300 -0.114 0.000 0.904 155 R CA 1.243 57.231 56.100 -0.186 0.000 1.052 155 R CB -0.443 29.774 30.300 -0.138 0.000 1.014 155 R HN 0.300 nan 8.270 nan 0.000 0.503 156 T N -3.034 111.328 114.554 -0.320 0.000 3.054 156 T HA 0.117 4.405 4.350 -0.102 0.000 0.259 156 T C 1.577 176.172 174.700 -0.176 0.000 1.092 156 T CA 0.736 62.542 62.100 -0.490 0.000 1.121 156 T CB 0.420 68.871 68.868 -0.696 0.000 0.912 156 T HN 0.318 nan 8.240 nan 0.000 0.489 157 G N 0.876 109.619 108.800 -0.095 0.000 2.148 157 G HA2 -0.223 3.676 3.960 -0.102 0.000 0.254 157 G HA3 -0.223 3.676 3.960 -0.102 0.000 0.254 157 G C 0.074 174.940 174.900 -0.056 0.000 0.981 157 G CA 0.145 45.220 45.100 -0.042 0.000 0.670 157 G HN 0.737 nan 8.290 nan 0.000 0.528 158 V N 0.887 120.745 119.914 -0.093 0.000 2.644 158 V HA 0.571 4.630 4.120 -0.102 0.000 0.295 158 V C 0.341 176.390 176.094 -0.076 0.000 1.053 158 V CA -0.765 61.479 62.300 -0.093 0.000 0.987 158 V CB 1.761 33.504 31.823 -0.134 0.000 1.006 158 V HN 0.295 nan 8.190 nan 0.000 0.472 159 E N 2.945 123.102 120.200 -0.072 0.000 2.227 159 E HA 0.569 4.857 4.350 -0.102 0.000 0.268 159 E C -0.800 175.743 176.600 -0.096 0.000 0.990 159 E CA -0.591 55.769 56.400 -0.068 0.000 0.856 159 E CB 2.531 32.199 29.700 -0.054 0.000 1.159 159 E HN 0.456 nan 8.360 nan 0.000 0.401 160 I N 1.277 121.786 120.570 -0.101 0.000 2.377 160 I HA 0.236 4.344 4.170 -0.102 0.000 0.293 160 I C -0.541 175.506 176.117 -0.116 0.000 0.987 160 I CA -0.923 60.290 61.300 -0.144 0.000 1.185 160 I CB 1.654 39.541 38.000 -0.188 0.000 1.341 160 I HN -0.003 nan 8.210 nan 0.000 0.455 161 V N 8.258 128.099 119.914 -0.122 0.000 2.409 161 V HA 0.369 4.428 4.120 -0.102 0.000 0.291 161 V C -2.107 173.908 176.094 -0.132 0.000 1.020 161 V CA -1.697 60.541 62.300 -0.104 0.000 0.848 161 V CB 1.769 33.541 31.823 -0.084 0.000 0.990 161 V HN 0.578 nan 8.190 nan 0.000 0.430 162 P HA 0.330 nan 4.420 nan 0.000 0.275 162 P C -0.717 176.369 177.300 -0.357 0.000 1.228 162 P CA -0.128 62.830 63.100 -0.236 0.000 0.786 162 P CB 1.407 32.935 31.700 -0.287 0.000 0.927 163 I N 3.751 124.178 120.570 -0.238 0.000 2.388 163 I HA 0.172 4.280 4.170 -0.102 0.000 0.281 163 I C 0.758 176.810 176.117 -0.108 0.000 1.046 163 I CA -0.798 60.393 61.300 -0.182 0.000 1.187 163 I CB 0.105 38.035 38.000 -0.117 0.000 1.351 163 I HN 0.279 nan 8.210 nan 0.000 0.472 164 H N 4.494 123.588 119.070 0.039 0.000 2.929 164 H HA 0.135 4.630 4.556 -0.102 0.000 0.317 164 H C -0.323 175.040 175.328 0.057 0.000 1.031 164 H CA -0.175 55.911 56.048 0.064 0.000 1.466 164 H CB 0.796 30.599 29.762 0.068 0.000 1.482 164 H HN 0.493 nan 8.280 nan 0.000 0.561 165 C N 3.266 122.708 119.300 0.236 0.000 2.456 165 C HA 0.530 4.929 4.460 -0.102 0.000 0.325 165 C C 0.706 175.800 174.990 0.173 0.000 1.217 165 C CA -0.688 58.434 59.018 0.175 0.000 1.687 165 C CB 1.239 29.103 27.740 0.207 0.000 2.270 165 C HN 0.938 nan 8.230 nan 0.000 0.499 166 T N -1.445 113.052 114.554 -0.094 0.000 2.930 166 T HA 0.418 4.707 4.350 -0.102 0.000 0.290 166 T C 0.869 174.965 174.700 -1.007 0.000 1.052 166 T CA -0.025 61.850 62.100 -0.376 0.000 1.017 166 T CB 1.414 70.186 68.868 -0.160 0.000 1.137 166 T HN 0.718 nan 8.240 nan 0.000 0.511 167 S N 0.551 115.542 115.700 -1.182 0.000 2.447 167 S HA -0.095 4.314 4.470 -0.102 0.000 0.233 167 S C 1.992 176.372 174.600 -0.367 0.000 1.006 167 S CA 0.980 58.577 58.200 -1.004 0.000 0.957 167 S CB -1.060 61.980 63.200 -0.267 0.000 0.773 167 S HN 0.646 nan 8.310 nan 0.000 0.507 168 S N 3.433 118.988 115.700 -0.241 0.000 2.407 168 S HA -0.128 4.281 4.470 -0.102 0.000 0.235 168 S C 1.441 175.986 174.600 -0.092 0.000 1.036 168 S CA 1.596 59.731 58.200 -0.110 0.000 1.013 168 S CB -0.469 62.683 63.200 -0.079 0.000 0.820 168 S HN 0.962 nan 8.310 nan 0.000 0.476 169 N N -0.926 117.695 118.700 -0.133 0.000 2.365 169 N HA 0.246 4.925 4.740 -0.102 0.000 0.257 169 N C 0.483 175.955 175.510 -0.064 0.000 1.287 169 N CA 0.482 53.488 53.050 -0.072 0.000 0.882 169 N CB 0.081 38.537 38.487 -0.052 0.000 1.250 169 N HN 0.287 nan 8.380 nan 0.000 0.507 170 G N 0.608 109.345 108.800 -0.105 0.000 2.182 170 G HA2 -0.300 3.599 3.960 -0.102 0.000 0.248 170 G HA3 -0.300 3.599 3.960 -0.102 0.000 0.248 170 G C -0.008 174.943 174.900 0.085 0.000 1.042 170 G CA -0.104 44.998 45.100 0.002 0.000 0.775 170 G HN 0.314 nan 8.290 nan 0.000 0.501 171 F N -1.770 118.144 119.950 -0.060 0.000 3.091 171 F HA -0.211 4.249 4.527 -0.111 0.000 0.288 171 F C 1.128 176.886 175.800 -0.071 0.000 0.907 171 F CA 1.598 59.542 58.000 -0.094 0.000 1.028 171 F CB -1.828 37.062 39.000 -0.184 0.000 1.022 171 F HN 0.605 nan 8.300 nan 0.000 0.665 172 Q N 0.033 119.865 119.800 0.053 0.000 2.227 172 Q HA 0.644 4.923 4.340 -0.102 0.000 0.245 172 Q C 0.489 176.498 176.000 0.015 0.000 0.926 172 Q CA -1.063 54.760 55.803 0.033 0.000 0.895 172 Q CB 1.810 30.558 28.738 0.016 0.000 1.230 172 Q HN 0.316 nan 8.270 nan 0.000 0.450 173 I N 1.687 122.259 120.570 0.003 0.000 2.529 173 I HA 0.093 4.202 4.170 -0.102 0.000 0.284 173 I C 0.556 176.653 176.117 -0.034 0.000 1.082 173 I CA 0.150 61.437 61.300 -0.022 0.000 1.406 173 I CB 0.660 38.636 38.000 -0.041 0.000 1.405 173 I HN 0.668 nan 8.210 nan 0.000 0.548 174 T N 0.463 114.987 114.554 -0.050 0.000 2.916 174 T HA 0.355 4.644 4.350 -0.102 0.000 0.292 174 T C 0.633 175.285 174.700 -0.081 0.000 1.064 174 T CA -0.849 61.222 62.100 -0.048 0.000 1.011 174 T CB 1.860 70.710 68.868 -0.029 0.000 1.152 174 T HN 0.600 nan 8.240 nan 0.000 0.510 175 E N 0.543 120.708 120.200 -0.060 0.000 2.051 175 E HA -0.123 4.165 4.350 -0.102 0.000 0.192 175 E C 1.974 178.532 176.600 -0.070 0.000 0.991 175 E CA 1.686 58.045 56.400 -0.069 0.000 0.799 175 E CB -0.453 29.234 29.700 -0.022 0.000 0.748 175 E HN 0.731 nan 8.360 nan 0.000 0.449 176 T N 1.101 115.633 114.554 -0.037 0.000 2.720 176 T HA -0.163 4.126 4.350 -0.102 0.000 0.268 176 T C 2.019 176.704 174.700 -0.025 0.000 1.037 176 T CA 1.282 63.372 62.100 -0.017 0.000 1.144 176 T CB -0.217 68.650 68.868 -0.000 0.000 0.864 176 T HN 0.264 nan 8.240 nan 0.000 0.444 177 A N 0.959 123.754 122.820 -0.042 0.000 1.930 177 A HA 0.066 4.324 4.320 -0.102 0.000 0.217 177 A C 2.294 179.811 177.584 -0.111 0.000 1.175 177 A CA 1.030 53.043 52.037 -0.041 0.000 0.627 177 A CB -0.731 18.252 19.000 -0.028 0.000 0.815 177 A HN 0.465 nan 8.150 nan 0.000 0.443 178 L N -1.166 119.922 121.223 -0.225 0.000 2.027 178 L HA -0.166 4.113 4.340 -0.102 0.000 0.206 178 L C 2.669 179.402 176.870 -0.229 0.000 1.074 178 L CA 1.731 56.290 54.840 -0.467 0.000 0.745 178 L CB -0.382 41.089 42.059 -0.981 0.000 0.898 178 L HN 0.384 nan 8.230 nan 0.000 0.433 179 E N 0.366 120.525 120.200 -0.069 0.000 2.106 179 E HA -0.202 4.087 4.350 -0.102 0.000 0.192 179 E C 2.016 178.696 176.600 0.133 0.000 0.984 179 E CA 1.106 57.575 56.400 0.116 0.000 0.806 179 E CB 0.078 29.832 29.700 0.089 0.000 0.750 179 E HN 0.349 nan 8.360 nan 0.000 0.458 180 E N -0.541 119.697 120.200 0.064 0.000 2.153 180 E HA -0.167 4.122 4.350 -0.102 0.000 0.194 180 E C 1.876 178.515 176.600 0.064 0.000 0.988 180 E CA 0.823 57.264 56.400 0.069 0.000 0.811 180 E CB -0.090 29.646 29.700 0.060 0.000 0.746 180 E HN 0.340 nan 8.360 nan 0.000 0.466 181 A N 0.513 123.356 122.820 0.038 0.000 1.872 181 A HA -0.181 4.078 4.320 -0.102 0.000 0.214 181 A C 1.969 179.608 177.584 0.091 0.000 1.187 181 A CA 1.023 53.067 52.037 0.012 0.000 0.614 181 A CB -0.739 18.234 19.000 -0.045 0.000 0.826 181 A HN 0.358 nan 8.150 nan 0.000 0.442 182 Y N 0.456 120.799 120.300 0.073 0.000 2.207 182 Y HA -0.237 4.252 4.550 -0.103 0.000 0.287 182 Y C 2.551 178.492 175.900 0.068 0.000 1.156 182 Y CA 2.193 60.368 58.100 0.125 0.000 1.182 182 Y CB 0.014 38.626 38.460 0.254 0.000 0.979 182 Y HN 0.292 nan 8.280 nan 0.000 0.521 183 Q N -0.112 119.801 119.800 0.188 0.000 2.172 183 Q HA -0.176 4.102 4.340 -0.102 0.000 0.200 183 Q C 2.123 178.133 176.000 0.018 0.000 0.964 183 Q CA 1.560 57.421 55.803 0.098 0.000 0.855 183 Q CB -0.286 28.521 28.738 0.116 0.000 0.918 183 Q HN 0.519 nan 8.270 nan 0.000 0.444 184 E N 0.834 121.044 120.200 0.016 0.000 2.150 184 E HA -0.061 4.228 4.350 -0.102 0.000 0.193 184 E C 1.722 178.297 176.600 -0.042 0.000 0.985 184 E CA 1.155 57.554 56.400 -0.002 0.000 0.814 184 E CB -0.185 29.519 29.700 0.007 0.000 0.752 184 E HN 0.262 nan 8.360 nan 0.000 0.466 185 A N 0.329 123.098 122.820 -0.086 0.000 1.933 185 A HA -0.194 4.065 4.320 -0.102 0.000 0.218 185 A C 2.157 179.657 177.584 -0.141 0.000 1.175 185 A CA 1.798 53.755 52.037 -0.134 0.000 0.628 185 A CB -0.596 18.272 19.000 -0.221 0.000 0.814 185 A HN 0.313 nan 8.150 nan 0.000 0.444 186 E N -0.177 119.933 120.200 -0.149 0.000 2.047 186 E HA -0.141 4.148 4.350 -0.102 0.000 0.191 186 E C 1.872 178.439 176.600 -0.055 0.000 0.987 186 E CA 1.374 57.709 56.400 -0.109 0.000 0.799 186 E CB -0.081 29.573 29.700 -0.078 0.000 0.752 186 E HN 0.367 nan 8.360 nan 0.000 0.449 187 K N 0.117 120.497 120.400 -0.033 0.000 2.211 187 K HA -0.050 4.208 4.320 -0.102 0.000 0.204 187 K C 1.674 178.263 176.600 -0.018 0.000 1.047 187 K CA 1.077 57.356 56.287 -0.014 0.000 0.935 187 K CB -0.025 32.476 32.500 0.001 0.000 0.728 187 K HN 0.043 nan 8.250 nan 0.000 0.452 188 R N 0.134 120.616 120.500 -0.031 0.000 2.334 188 R HA 0.159 4.437 4.340 -0.102 0.000 0.220 188 R C -0.351 175.928 176.300 -0.035 0.000 0.917 188 R CA 0.193 56.276 56.100 -0.028 0.000 1.073 188 R CB -0.294 29.987 30.300 -0.032 0.000 1.056 188 R HN 0.345 nan 8.270 nan 0.000 0.506 189 N N 0.401 119.076 118.700 -0.042 0.000 2.754 189 N HA -0.181 4.498 4.740 -0.102 0.000 0.248 189 N C -1.191 174.288 175.510 -0.052 0.000 1.093 189 N CA 0.108 53.133 53.050 -0.042 0.000 0.699 189 N CB -1.019 37.452 38.487 -0.027 0.000 1.016 189 N HN 0.162 nan 8.380 nan 0.000 0.552 190 L N 0.098 121.277 121.223 -0.074 0.000 2.325 190 L HA 0.466 4.745 4.340 -0.102 0.000 0.278 190 L C 0.720 177.524 176.870 -0.109 0.000 1.023 190 L CA -0.761 54.031 54.840 -0.080 0.000 0.811 190 L CB 1.719 43.730 42.059 -0.080 0.000 1.249 190 L HN 0.126 nan 8.230 nan 0.000 0.431 191 R N 1.784 122.233 120.500 -0.085 0.000 2.221 191 R HA 0.457 4.736 4.340 -0.102 0.000 0.327 191 R C -1.086 175.166 176.300 -0.080 0.000 1.033 191 R CA -0.557 55.492 56.100 -0.085 0.000 0.887 191 R CB 1.166 31.439 30.300 -0.046 0.000 1.057 191 R HN 0.424 nan 8.270 nan 0.000 0.455 192 V N 6.187 126.037 119.914 -0.106 0.000 2.488 192 V HA 0.089 4.148 4.120 -0.102 0.000 0.277 192 V C 0.709 176.817 176.094 0.022 0.000 1.046 192 V CA 0.000 62.273 62.300 -0.045 0.000 0.986 192 V CB 1.475 33.278 31.823 -0.033 0.000 0.989 192 V HN 0.810 nan 8.190 nan 0.000 0.475 193 K N 2.897 123.314 120.400 0.028 0.000 2.367 193 K HA 0.404 4.663 4.320 -0.102 0.000 0.195 193 K C 0.588 177.260 176.600 0.119 0.000 1.060 193 K CA 0.648 56.975 56.287 0.068 0.000 1.022 193 K CB 1.359 33.880 32.500 0.034 0.000 0.894 193 K HN 0.872 nan 8.250 nan 0.000 0.540 194 G N -0.125 108.723 108.800 0.080 0.000 2.322 194 G HA2 0.334 4.233 3.960 -0.102 0.000 0.295 194 G HA3 0.334 4.233 3.960 -0.102 0.000 0.295 194 G C -1.820 173.117 174.900 0.062 0.000 1.369 194 G CA -0.679 44.477 45.100 0.095 0.000 0.821 194 G HN -0.171 nan 8.290 nan 0.000 0.536 195 V N 0.317 120.266 119.914 0.059 0.000 2.604 195 V HA 0.729 4.787 4.120 -0.102 0.000 0.305 195 V C -0.422 175.641 176.094 -0.052 0.000 1.043 195 V CA -0.706 61.608 62.300 0.023 0.000 0.888 195 V CB 1.633 33.512 31.823 0.094 0.000 0.995 195 V HN 0.804 nan 8.190 nan 0.000 0.429 196 L N 6.453 127.597 121.223 -0.131 0.000 2.325 196 L HA 0.840 5.118 4.340 -0.102 0.000 0.281 196 L C -0.516 176.268 176.870 -0.144 0.000 1.004 196 L CA -0.434 54.294 54.840 -0.187 0.000 0.823 196 L CB 1.591 43.440 42.059 -0.349 0.000 1.236 196 L HN 0.645 nan 8.230 nan 0.000 0.415 197 V N 0.700 120.580 119.914 -0.056 0.000 3.019 197 V HA 0.719 4.777 4.120 -0.102 0.000 0.317 197 V C -0.307 175.843 176.094 0.093 0.000 1.094 197 V CA -0.412 61.897 62.300 0.015 0.000 1.000 197 V CB 1.970 33.806 31.823 0.021 0.000 1.060 197 V HN 0.704 nan 8.190 nan 0.000 0.443 198 T N 3.408 118.050 114.554 0.147 0.000 2.815 198 T HA 0.540 4.829 4.350 -0.102 0.000 0.289 198 T C -0.703 174.100 174.700 0.171 0.000 1.000 198 T CA -0.105 62.119 62.100 0.208 0.000 0.958 198 T CB 0.490 69.518 68.868 0.266 0.000 0.944 198 T HN 0.986 nan 8.240 nan 0.000 0.442 199 N N 4.172 122.994 118.700 0.204 0.000 2.519 199 N HA 0.427 5.106 4.740 -0.102 0.000 0.286 199 N C -3.115 172.577 175.510 0.303 0.000 1.079 199 N CA -1.837 51.355 53.050 0.238 0.000 0.878 199 N CB 1.771 40.394 38.487 0.225 0.000 1.375 199 N HN 0.139 nan 8.380 nan 0.000 0.514 200 P HA 0.042 nan 4.420 nan 0.000 0.270 200 P C -0.540 176.846 177.300 0.144 0.000 1.223 200 P CA -0.207 62.976 63.100 0.139 0.000 0.785 200 P CB 0.615 32.327 31.700 0.020 0.000 0.923 201 S N 1.881 117.622 115.700 0.069 0.000 2.548 201 S HA 0.208 4.616 4.470 -0.102 0.000 0.277 201 S C -0.044 174.544 174.600 -0.020 0.000 1.315 201 S CA -0.321 57.893 58.200 0.024 0.000 1.050 201 S CB -0.595 62.572 63.200 -0.056 0.000 0.918 201 S HN 0.377 nan 8.310 nan 0.000 0.497 202 N N 4.230 122.876 118.700 -0.090 0.000 2.372 202 N HA 0.481 5.160 4.740 -0.102 0.000 0.285 202 N C -2.053 173.200 175.510 -0.428 0.000 1.008 202 N CA -2.292 50.527 53.050 -0.385 0.000 0.880 202 N CB 2.035 40.351 38.487 -0.286 0.000 1.239 202 N HN 0.372 nan 8.380 nan 0.000 0.484 203 P HA 0.122 nan 4.420 nan 0.000 0.261 203 P C 1.024 177.940 177.300 -0.640 0.000 1.268 203 P CA 0.143 62.697 63.100 -0.911 0.000 0.833 203 P CB 0.538 31.748 31.700 -0.817 0.000 1.231 204 L N -0.337 120.503 121.223 -0.639 0.000 2.131 204 L HA -0.005 4.274 4.340 -0.102 0.000 0.210 204 L C 1.851 178.722 176.870 0.001 0.000 1.092 204 L CA 1.541 56.099 54.840 -0.469 0.000 0.759 204 L CB -1.509 40.283 42.059 -0.445 0.000 0.903 204 L HN 0.140 nan 8.230 nan 0.000 0.435 205 G N 0.641 109.521 108.800 0.134 0.000 2.147 205 G HA2 -0.269 3.630 3.960 -0.102 0.000 0.244 205 G HA3 -0.269 3.630 3.960 -0.102 0.000 0.244 205 G C 0.306 175.216 174.900 0.017 0.000 1.005 205 G CA 0.434 45.617 45.100 0.138 0.000 0.713 205 G HN 0.473 nan 8.290 nan 0.000 0.515 206 T N -1.736 112.816 114.554 -0.004 0.000 2.912 206 T HA 0.743 5.031 4.350 -0.102 0.000 0.288 206 T C 0.176 174.874 174.700 -0.003 0.000 1.030 206 T CA 0.237 62.329 62.100 -0.013 0.000 1.020 206 T CB 2.114 70.990 68.868 0.014 0.000 1.056 206 T HN 1.081 nan 8.240 nan 0.000 0.480 207 T N 0.641 115.198 114.554 0.005 0.000 2.889 207 T HA 0.533 4.822 4.350 -0.102 0.000 0.291 207 T C 0.238 174.975 174.700 0.061 0.000 0.995 207 T CA -0.945 61.200 62.100 0.076 0.000 1.092 207 T CB 0.703 69.630 68.868 0.098 0.000 0.954 207 T HN 0.736 nan 8.240 nan 0.000 0.506 208 M N 3.963 123.610 119.600 0.079 0.000 2.245 208 M HA 0.257 4.675 4.480 -0.102 0.000 0.344 208 M C 0.706 177.007 176.300 0.002 0.000 1.170 208 M CA 0.104 55.425 55.300 0.034 0.000 1.135 208 M CB 0.487 33.105 32.600 0.030 0.000 1.574 208 M HN 0.974 nan 8.290 nan 0.000 0.452 209 T N 1.647 116.202 114.554 0.002 0.000 2.882 209 T HA 0.304 4.592 4.350 -0.102 0.000 0.287 209 T C 1.010 175.705 174.700 -0.009 0.000 1.014 209 T CA -0.619 61.480 62.100 -0.001 0.000 1.049 209 T CB 0.851 69.727 68.868 0.014 0.000 1.001 209 T HN 0.848 nan 8.240 nan 0.000 0.525 210 R N 1.133 121.635 120.500 0.003 0.000 2.105 210 R HA -0.190 4.089 4.340 -0.102 0.000 0.239 210 R C 2.206 178.583 176.300 0.130 0.000 1.135 210 R CA 1.976 58.094 56.100 0.030 0.000 0.967 210 R CB -0.587 29.766 30.300 0.088 0.000 0.861 210 R HN 0.866 nan 8.270 nan 0.000 0.442 211 N N 0.512 119.279 118.700 0.112 0.000 2.043 211 N HA -0.210 4.469 4.740 -0.102 0.000 0.193 211 N C 1.380 176.947 175.510 0.095 0.000 1.037 211 N CA 2.105 55.226 53.050 0.118 0.000 0.851 211 N CB -0.044 38.477 38.487 0.057 0.000 1.027 211 N HN 0.349 nan 8.380 nan 0.000 0.422 212 E N -0.235 119.991 120.200 0.043 0.000 2.077 212 E HA -0.150 4.139 4.350 -0.102 0.000 0.193 212 E C 2.065 178.668 176.600 0.006 0.000 0.989 212 E CA 1.037 57.447 56.400 0.018 0.000 0.800 212 E CB -0.143 29.559 29.700 0.004 0.000 0.746 212 E HN 0.424 nan 8.360 nan 0.000 0.452 213 L N -0.266 120.939 121.223 -0.030 0.000 2.046 213 L HA -0.208 4.070 4.340 -0.102 0.000 0.208 213 L C 2.290 179.089 176.870 -0.118 0.000 1.077 213 L CA 1.167 55.941 54.840 -0.110 0.000 0.747 213 L CB -0.412 41.516 42.059 -0.219 0.000 0.896 213 L HN 0.174 nan 8.230 nan 0.000 0.432 214 Y N -0.653 119.639 120.300 -0.015 0.000 2.293 214 Y HA -0.237 4.251 4.550 -0.103 0.000 0.291 214 Y C 2.240 178.143 175.900 0.006 0.000 1.137 214 Y CA 1.121 59.216 58.100 -0.008 0.000 1.202 214 Y CB -0.293 38.159 38.460 -0.014 0.000 0.990 214 Y HN 0.083 nan 8.280 nan 0.000 0.537 215 L N -0.300 121.012 121.223 0.148 0.000 2.046 215 L HA -0.170 4.109 4.340 -0.102 0.000 0.208 215 L C 1.919 178.844 176.870 0.092 0.000 1.077 215 L CA 1.674 56.570 54.840 0.093 0.000 0.747 215 L CB -0.884 41.199 42.059 0.039 0.000 0.896 215 L HN 0.195 nan 8.230 nan 0.000 0.432 216 L N -1.261 119.997 121.223 0.060 0.000 2.017 216 L HA -0.223 4.056 4.340 -0.102 0.000 0.208 216 L C 2.541 179.481 176.870 0.117 0.000 1.073 216 L CA 1.291 56.180 54.840 0.081 0.000 0.745 216 L CB -0.550 41.526 42.059 0.028 0.000 0.894 216 L HN 0.290 nan 8.230 nan 0.000 0.432 217 L N -1.124 120.134 121.223 0.059 0.000 2.046 217 L HA -0.221 4.058 4.340 -0.102 0.000 0.208 217 L C 2.840 179.752 176.870 0.070 0.000 1.077 217 L CA 1.345 56.210 54.840 0.042 0.000 0.747 217 L CB -0.508 41.553 42.059 0.004 0.000 0.896 217 L HN 0.254 nan 8.230 nan 0.000 0.432 218 S N -0.412 115.353 115.700 0.108 0.000 2.383 218 S HA -0.210 4.199 4.470 -0.102 0.000 0.227 218 S C 1.961 176.614 174.600 0.088 0.000 1.026 218 S CA 1.067 59.322 58.200 0.092 0.000 0.981 218 S CB -0.303 62.958 63.200 0.103 0.000 0.818 218 S HN 0.384 nan 8.310 nan 0.000 0.472 219 F N 2.910 122.841 119.950 -0.031 0.000 2.075 219 F HA -0.067 4.400 4.527 -0.100 0.000 0.297 219 F C 2.207 177.962 175.800 -0.073 0.000 1.113 219 F CA 1.863 59.826 58.000 -0.061 0.000 1.218 219 F CB -0.737 38.233 39.000 -0.050 0.000 0.984 219 F HN 0.163 nan 8.300 nan 0.000 0.472 220 V N -1.426 118.461 119.914 -0.046 0.000 2.759 220 V HA -0.186 3.873 4.120 -0.102 0.000 0.256 220 V C 2.050 178.032 176.094 -0.187 0.000 1.080 220 V CA 1.986 64.186 62.300 -0.167 0.000 1.101 220 V CB -1.062 30.740 31.823 -0.036 0.000 0.698 220 V HN 0.565 nan 8.190 nan 0.000 0.477 221 E N 0.687 120.813 120.200 -0.122 0.000 2.046 221 E HA -0.229 4.060 4.350 -0.102 0.000 0.190 221 E C 1.896 178.409 176.600 -0.145 0.000 0.982 221 E CA 1.524 57.861 56.400 -0.104 0.000 0.800 221 E CB -0.123 29.551 29.700 -0.043 0.000 0.756 221 E HN 0.631 nan 8.360 nan 0.000 0.449 222 D N 0.519 120.813 120.400 -0.176 0.000 2.117 222 D HA -0.139 4.440 4.640 -0.102 0.000 0.197 222 D C 1.664 177.797 176.300 -0.279 0.000 0.987 222 D CA 0.973 54.852 54.000 -0.202 0.000 0.829 222 D CB -0.011 40.668 40.800 -0.202 0.000 0.961 222 D HN 0.083 nan 8.370 nan 0.000 0.460 223 K N -0.320 119.824 120.400 -0.427 0.000 2.418 223 K HA 0.128 4.387 4.320 -0.102 0.000 0.195 223 K C 1.230 177.693 176.600 -0.229 0.000 1.035 223 K CA 0.581 56.614 56.287 -0.422 0.000 1.003 223 K CB 0.183 32.266 32.500 -0.695 0.000 0.793 223 K HN 0.185 nan 8.250 nan 0.000 0.494 224 G N 2.766 111.441 108.800 -0.208 0.000 2.221 224 G HA2 -0.255 3.643 3.960 -0.102 0.000 0.265 224 G HA3 -0.255 3.643 3.960 -0.102 0.000 0.265 224 G C 0.238 175.035 174.900 -0.171 0.000 1.041 224 G CA 0.782 45.785 45.100 -0.162 0.000 0.807 224 G HN 0.456 nan 8.290 nan 0.000 0.502 225 I N -4.224 116.234 120.570 -0.187 0.000 3.436 225 I HA 0.876 4.984 4.170 -0.102 0.000 0.296 225 I C 0.343 176.335 176.117 -0.208 0.000 1.143 225 I CA -1.808 59.409 61.300 -0.138 0.000 1.009 225 I CB 1.122 39.106 38.000 -0.027 0.000 1.301 225 I HN -0.013 nan 8.210 nan 0.000 0.503 226 H N 0.814 119.885 119.070 0.002 0.000 2.496 226 H HA 0.679 5.174 4.556 -0.102 0.000 0.342 226 H C -1.047 174.289 175.328 0.014 0.000 1.170 226 H CA -0.473 55.595 56.048 0.032 0.000 1.274 226 H CB 1.711 31.535 29.762 0.103 0.000 1.538 226 H HN 0.464 nan 8.280 nan 0.000 0.542 227 L N 2.729 124.028 121.223 0.127 0.000 2.372 227 L HA 0.463 4.742 4.340 -0.102 0.000 0.274 227 L C -1.533 175.352 176.870 0.026 0.000 0.988 227 L CA -0.171 54.697 54.840 0.047 0.000 0.833 227 L CB 0.606 42.668 42.059 0.004 0.000 1.236 227 L HN 0.565 nan 8.230 nan 0.000 0.410 228 I N 3.564 124.108 120.570 -0.043 0.000 2.378 228 I HA 0.396 4.505 4.170 -0.102 0.000 0.291 228 I C -0.115 175.957 176.117 -0.076 0.000 0.992 228 I CA -0.410 60.800 61.300 -0.150 0.000 1.154 228 I CB 1.916 39.714 38.000 -0.336 0.000 1.315 228 I HN 0.608 nan 8.210 nan 0.000 0.448 229 S N 4.880 120.571 115.700 -0.014 0.000 2.498 229 S HA 0.182 4.591 4.470 -0.102 0.000 0.324 229 S C -0.593 174.073 174.600 0.111 0.000 1.071 229 S CA -0.678 57.556 58.200 0.056 0.000 1.113 229 S CB 0.477 63.725 63.200 0.081 0.000 0.976 229 S HN 0.563 nan 8.310 nan 0.000 0.462 230 D N 4.006 124.486 120.400 0.133 0.000 2.374 230 D HA 0.119 4.698 4.640 -0.102 0.000 0.240 230 D C 0.117 176.530 176.300 0.189 0.000 1.229 230 D CA -0.041 54.070 54.000 0.185 0.000 0.895 230 D CB 0.632 41.591 40.800 0.264 0.000 1.046 230 D HN 0.652 nan 8.370 nan 0.000 0.498 231 E N 3.937 124.249 120.200 0.186 0.000 2.511 231 E HA 0.087 4.375 4.350 -0.102 0.000 0.214 231 E C 1.483 178.154 176.600 0.119 0.000 1.062 231 E CA -0.289 56.212 56.400 0.168 0.000 1.213 231 E CB 0.592 30.421 29.700 0.214 0.000 1.214 231 E HN 0.572 nan 8.360 nan 0.000 0.441 232 I N 0.042 120.631 120.570 0.032 0.000 2.567 232 I HA -0.281 3.828 4.170 -0.102 0.000 0.257 232 I C 0.762 176.669 176.117 -0.350 0.000 1.184 232 I CA 1.328 62.527 61.300 -0.168 0.000 1.451 232 I CB 0.184 37.937 38.000 -0.412 0.000 1.089 232 I HN 0.199 nan 8.210 nan 0.000 0.441 233 Y N 0.110 120.401 120.300 -0.015 0.000 2.468 233 Y HA 0.072 4.563 4.550 -0.098 0.000 0.268 233 Y C 2.498 178.251 175.900 -0.245 0.000 1.177 233 Y CA 0.377 58.421 58.100 -0.093 0.000 1.265 233 Y CB -0.446 37.963 38.460 -0.085 0.000 1.103 233 Y HN 0.234 nan 8.280 nan 0.000 0.522 234 S N -1.069 114.463 115.700 -0.279 0.000 2.402 234 S HA -0.196 4.212 4.470 -0.102 0.000 0.233 234 S C 2.167 176.438 174.600 -0.549 0.000 1.030 234 S CA 1.435 59.142 58.200 -0.822 0.000 1.003 234 S CB -0.825 61.953 63.200 -0.703 0.000 0.813 234 S HN 0.477 nan 8.310 nan 0.000 0.477 235 G N 1.052 109.734 108.800 -0.197 0.000 2.985 235 G HA2 0.183 4.082 3.960 -0.102 0.000 0.209 235 G HA3 0.183 4.082 3.960 -0.102 0.000 0.209 235 G C 1.027 176.019 174.900 0.153 0.000 1.165 235 G CA 0.638 45.718 45.100 -0.032 0.000 0.776 235 G HN 0.713 nan 8.290 nan 0.000 0.541 236 T N -2.421 112.173 114.554 0.066 0.000 3.214 236 T HA 0.591 4.880 4.350 -0.102 0.000 0.264 236 T C 0.828 175.510 174.700 -0.030 0.000 1.012 236 T CA 0.174 62.360 62.100 0.143 0.000 0.901 236 T CB 0.695 69.657 68.868 0.157 0.000 1.070 236 T HN 0.217 nan 8.240 nan 0.000 0.561 237 A N 1.787 124.477 122.820 -0.215 0.000 2.376 237 A HA 0.570 4.829 4.320 -0.102 0.000 0.298 237 A C 0.457 177.655 177.584 -0.643 0.000 1.271 237 A CA -0.834 50.945 52.037 -0.429 0.000 0.926 237 A CB -0.726 18.123 19.000 -0.251 0.000 1.141 237 A HN 0.681 nan 8.150 nan 0.000 0.539 238 F N 0.499 120.246 119.950 -0.339 0.000 2.678 238 F HA 0.497 4.960 4.527 -0.107 0.000 0.305 238 F C 0.284 175.972 175.800 -0.187 0.000 1.090 238 F CA -0.667 57.126 58.000 -0.344 0.000 1.272 238 F CB -0.236 38.666 39.000 -0.163 0.000 1.060 238 F HN 0.239 nan 8.300 nan 0.000 0.576 239 S N -0.749 114.810 115.700 -0.236 0.000 2.596 239 S HA 0.472 4.881 4.470 -0.102 0.000 0.270 239 S C -0.561 173.972 174.600 -0.113 0.000 1.155 239 S CA -0.843 57.319 58.200 -0.062 0.000 0.827 239 S CB 1.570 64.808 63.200 0.064 0.000 1.130 239 S HN 0.089 nan 8.310 nan 0.000 0.467 240 S N 3.317 118.991 115.700 -0.043 0.000 2.573 240 S HA 0.309 4.718 4.470 -0.102 0.000 0.277 240 S C -1.952 172.624 174.600 -0.039 0.000 1.346 240 S CA -0.563 57.616 58.200 -0.034 0.000 1.034 240 S CB -0.149 63.046 63.200 -0.009 0.000 0.879 240 S HN 0.526 nan 8.310 nan 0.000 0.528 241 P HA 0.208 nan 4.420 nan 0.000 0.275 241 P C -0.687 176.599 177.300 -0.024 0.000 1.266 241 P CA -0.516 62.572 63.100 -0.020 0.000 0.793 241 P CB 0.450 32.144 31.700 -0.009 0.000 1.074 242 S N -0.164 115.530 115.700 -0.010 0.000 2.580 242 S HA 0.218 4.627 4.470 -0.102 0.000 0.274 242 S C 0.048 174.669 174.600 0.035 0.000 1.329 242 S CA -0.314 57.891 58.200 0.008 0.000 1.036 242 S CB -0.362 62.837 63.200 -0.001 0.000 0.919 242 S HN 0.410 nan 8.310 nan 0.000 0.515 243 F N 3.603 123.511 119.950 -0.069 0.000 2.484 243 F HA 0.466 4.931 4.527 -0.103 0.000 0.360 243 F C -0.472 175.303 175.800 -0.042 0.000 1.101 243 F CA -0.664 57.301 58.000 -0.058 0.000 1.251 243 F CB 0.094 39.059 39.000 -0.057 0.000 1.132 243 F HN 0.380 nan 8.300 nan 0.000 0.570 244 I N 5.751 125.803 120.570 -0.863 0.000 2.439 244 I HA 0.148 4.257 4.170 -0.102 0.000 0.283 244 I C -0.182 175.321 176.117 -1.025 0.000 1.023 244 I CA -0.712 60.125 61.300 -0.772 0.000 1.100 244 I CB 1.512 39.297 38.000 -0.359 0.000 1.238 244 I HN 0.630 nan 8.210 nan 0.000 0.445 245 S N 3.729 118.813 115.700 -1.026 0.000 2.572 245 S HA 0.087 4.496 4.470 -0.102 0.000 0.279 245 S C 1.172 175.614 174.600 -0.264 0.000 1.341 245 S CA -0.283 57.602 58.200 -0.525 0.000 1.043 245 S CB 1.467 64.566 63.200 -0.167 0.000 0.887 245 S HN 0.516 nan 8.310 nan 0.000 0.516 246 V N 5.977 125.821 119.914 -0.117 0.000 2.594 246 V HA -0.119 3.940 4.120 -0.102 0.000 0.253 246 V C 1.866 177.902 176.094 -0.097 0.000 1.069 246 V CA 1.803 64.042 62.300 -0.102 0.000 1.082 246 V CB -0.515 31.288 31.823 -0.033 0.000 0.680 246 V HN 0.896 nan 8.190 nan 0.000 0.469 247 M N -0.776 118.788 119.600 -0.060 0.000 2.476 247 M HA -0.050 4.368 4.480 -0.102 0.000 0.262 247 M C 1.980 178.192 176.300 -0.145 0.000 1.079 247 M CA 1.330 56.583 55.300 -0.079 0.000 1.104 247 M CB -1.039 31.511 32.600 -0.085 0.000 1.409 247 M HN 0.531 nan 8.290 nan 0.000 0.467 248 E N 0.371 120.469 120.200 -0.171 0.000 2.076 248 E HA -0.089 4.199 4.350 -0.102 0.000 0.190 248 E C 1.875 178.375 176.600 -0.166 0.000 0.979 248 E CA 0.775 57.069 56.400 -0.175 0.000 0.807 248 E CB 0.388 29.971 29.700 -0.196 0.000 0.761 248 E HN 0.236 nan 8.360 nan 0.000 0.454 249 V N 1.523 121.311 119.914 -0.210 0.000 2.594 249 V HA -0.225 3.833 4.120 -0.102 0.000 0.253 249 V C 2.240 178.222 176.094 -0.186 0.000 1.069 249 V CA 1.149 63.284 62.300 -0.276 0.000 1.082 249 V CB -0.363 31.171 31.823 -0.482 0.000 0.680 249 V HN 0.332 nan 8.190 nan 0.000 0.469 250 L N -1.076 120.067 121.223 -0.132 0.000 2.418 250 L HA -0.011 4.268 4.340 -0.102 0.000 0.218 250 L C 2.517 179.341 176.870 -0.076 0.000 1.125 250 L CA 0.606 55.404 54.840 -0.070 0.000 0.835 250 L CB -0.440 41.605 42.059 -0.024 0.000 0.953 250 L HN 0.230 nan 8.230 nan 0.000 0.454 251 K N 0.638 120.979 120.400 -0.097 0.000 1.970 251 K HA -0.172 4.086 4.320 -0.102 0.000 0.225 251 K C 0.457 177.010 176.600 -0.078 0.000 1.045 251 K CA 1.378 57.604 56.287 -0.101 0.000 1.002 251 K CB -0.534 31.903 32.500 -0.105 0.000 0.743 251 K HN 0.093 nan 8.250 nan 0.000 0.445 252 D N 0.296 120.666 120.400 -0.050 0.000 2.428 252 D HA 0.107 4.685 4.640 -0.102 0.000 0.221 252 D C 0.079 176.387 176.300 0.014 0.000 1.123 252 D CA -0.175 53.808 54.000 -0.028 0.000 0.869 252 D CB 0.152 40.939 40.800 -0.022 0.000 1.032 252 D HN 0.317 nan 8.370 nan 0.000 0.506 253 R N 2.296 122.798 120.500 0.004 0.000 2.436 253 R HA 0.087 4.365 4.340 -0.102 0.000 0.209 253 R C -0.097 176.207 176.300 0.007 0.000 0.593 253 R CA -0.583 55.543 56.100 0.043 0.000 0.818 253 R CB -1.358 29.010 30.300 0.113 0.000 1.400 253 R HN 0.214 nan 8.270 nan 0.000 0.523 254 N N 0.053 118.735 118.700 -0.030 0.000 2.727 254 N HA -0.211 4.467 4.740 -0.102 0.000 0.251 254 N C -0.358 175.116 175.510 -0.059 0.000 1.040 254 N CA 1.119 54.139 53.050 -0.050 0.000 0.712 254 N CB -1.290 37.178 38.487 -0.032 0.000 0.912 254 N HN 0.583 nan 8.380 nan 0.000 0.545 255 C N -0.904 118.341 119.300 -0.093 0.000 4.015 255 C HA 0.311 4.710 4.460 -0.102 0.000 0.323 255 C C 1.490 176.293 174.990 -0.311 0.000 1.724 255 C CA 0.197 59.151 59.018 -0.106 0.000 1.828 255 C CB -0.329 27.416 27.740 0.007 0.000 3.083 255 C HN 0.632 nan 8.230 nan 0.000 0.640 256 D N 1.547 121.751 120.400 -0.327 0.000 2.092 256 D HA -0.145 4.434 4.640 -0.102 0.000 0.193 256 D C 1.487 177.306 176.300 -0.802 0.000 0.994 256 D CA 1.635 55.362 54.000 -0.455 0.000 0.828 256 D CB 0.084 40.712 40.800 -0.286 0.000 0.963 256 D HN 0.439 nan 8.370 nan 0.000 0.450 257 E N -0.986 118.843 120.200 -0.620 0.000 2.641 257 E HA 0.212 4.500 4.350 -0.102 0.000 0.224 257 E C -0.392 175.925 176.600 -0.472 0.000 0.951 257 E CA -0.269 55.729 56.400 -0.670 0.000 1.102 257 E CB 0.470 29.960 29.700 -0.349 0.000 1.091 257 E HN 0.078 nan 8.360 nan 0.000 0.507 258 N N 0.407 118.896 118.700 -0.352 0.000 2.483 258 N HA 0.342 5.021 4.740 -0.102 0.000 0.285 258 N C -0.117 175.389 175.510 -0.007 0.000 1.210 258 N CA 0.259 53.230 53.050 -0.132 0.000 0.931 258 N CB 1.432 39.865 38.487 -0.089 0.000 1.220 258 N HN 0.018 nan 8.380 nan 0.000 0.542 259 S N -0.151 115.598 115.700 0.082 0.000 3.654 259 S HA -0.248 4.161 4.470 -0.102 0.000 0.640 259 S C 0.513 175.313 174.600 0.333 0.000 2.223 259 S CA 1.457 59.749 58.200 0.153 0.000 2.391 259 S CB -0.935 62.340 63.200 0.125 0.000 0.328 259 S HN 0.838 nan 8.310 nan 0.000 1.790 260 E N -0.703 119.638 120.200 0.235 0.000 2.639 260 E HA 0.340 4.629 4.350 -0.102 0.000 0.225 260 E C 1.408 178.000 176.600 -0.014 0.000 0.921 260 E CA 0.434 56.917 56.400 0.139 0.000 1.184 260 E CB -0.016 29.692 29.700 0.014 0.000 1.160 260 E HN 0.452 nan 8.360 nan 0.000 0.547 261 V N 1.363 121.312 119.914 0.058 0.000 2.626 261 V HA -0.162 3.897 4.120 -0.102 0.000 0.252 261 V C 1.880 177.962 176.094 -0.021 0.000 1.067 261 V CA 2.087 64.373 62.300 -0.023 0.000 1.081 261 V CB -0.586 31.241 31.823 0.007 0.000 0.686 261 V HN 0.670 nan 8.190 nan 0.000 0.468 262 W N 0.489 121.746 121.300 -0.071 0.000 2.350 262 W HA -0.180 4.418 4.660 -0.103 0.000 0.289 262 W C 1.872 178.345 176.519 -0.077 0.000 1.215 262 W CA 1.514 58.815 57.345 -0.073 0.000 1.236 262 W CB -0.519 28.909 29.460 -0.053 0.000 1.130 262 W HN 0.185 nan 8.180 nan 0.000 0.541 263 Q N 0.876 120.087 119.800 -0.983 0.000 2.436 263 Q HA -0.009 4.270 4.340 -0.102 0.000 0.209 263 Q C 1.395 177.144 176.000 -0.418 0.000 0.965 263 Q CA 1.099 56.343 55.803 -0.931 0.000 0.910 263 Q CB -0.208 27.957 28.738 -0.955 0.000 0.980 263 Q HN 0.550 nan 8.270 nan 0.000 0.491 264 R N -0.053 120.228 120.500 -0.366 0.000 2.507 264 R HA 0.247 4.526 4.340 -0.102 0.000 0.298 264 R C -0.366 175.669 176.300 -0.441 0.000 0.999 264 R CA -0.063 55.874 56.100 -0.272 0.000 1.082 264 R CB 1.066 31.122 30.300 -0.406 0.000 1.246 264 R HN -0.124 nan 8.270 nan 0.000 0.553 265 V N 2.521 122.086 119.914 -0.582 0.000 2.417 265 V HA 0.307 4.366 4.120 -0.102 0.000 0.291 265 V C -0.112 175.631 176.094 -0.585 0.000 1.024 265 V CA -0.643 61.399 62.300 -0.431 0.000 0.861 265 V CB 1.485 33.220 31.823 -0.147 0.000 0.985 265 V HN 0.272 nan 8.190 nan 0.000 0.436 266 H N 2.832 121.903 119.070 0.003 0.000 2.894 266 H HA 0.775 5.269 4.556 -0.102 0.000 0.368 266 H C -1.223 174.128 175.328 0.039 0.000 1.181 266 H CA -0.709 55.353 56.048 0.024 0.000 1.146 266 H CB 2.571 32.155 29.762 -0.298 0.000 1.839 266 H HN 0.381 nan 8.280 nan 0.000 0.557 267 V N 1.667 121.800 119.914 0.365 0.000 2.789 267 V HA 0.293 4.352 4.120 -0.102 0.000 0.311 267 V C -0.284 176.056 176.094 0.410 0.000 1.073 267 V CA -0.795 61.696 62.300 0.317 0.000 0.921 267 V CB 2.537 34.559 31.823 0.331 0.000 1.009 267 V HN 0.443 nan 8.190 nan 0.000 0.426 268 V N 4.152 124.256 119.914 0.316 0.000 2.555 268 V HA 0.635 4.694 4.120 -0.102 0.000 0.302 268 V C -1.119 175.151 176.094 0.292 0.000 1.038 268 V CA -0.513 61.990 62.300 0.337 0.000 0.887 268 V CB 1.803 33.809 31.823 0.306 0.000 0.991 268 V HN 0.799 nan 8.190 nan 0.000 0.434 269 Y N 2.800 123.150 120.300 0.083 0.000 2.644 269 Y HA 0.819 5.307 4.550 -0.103 0.000 0.338 269 Y C -0.325 175.576 175.900 0.002 0.000 1.119 269 Y CA -0.642 57.460 58.100 0.003 0.000 1.060 269 Y CB 2.262 40.693 38.460 -0.048 0.000 1.294 269 Y HN 0.707 nan 8.280 nan 0.000 0.472 270 S N 1.701 116.795 115.700 -1.010 0.000 2.578 270 S HA 0.418 4.827 4.470 -0.102 0.000 0.272 270 S C -1.356 172.718 174.600 -0.876 0.000 1.145 270 S CA -0.724 57.058 58.200 -0.697 0.000 0.835 270 S CB 0.566 63.574 63.200 -0.320 0.000 1.104 270 S HN 0.735 nan 8.310 nan 0.000 0.458 271 L N 2.594 123.555 121.223 -0.436 0.000 2.653 271 L HA 0.256 4.535 4.340 -0.102 0.000 0.231 271 L C 1.779 178.547 176.870 -0.170 0.000 1.153 271 L CA -0.063 54.627 54.840 -0.252 0.000 0.933 271 L CB -0.127 41.875 42.059 -0.095 0.000 1.175 271 L HN 0.612 nan 8.230 nan 0.000 0.473 272 S N 0.227 115.813 115.700 -0.191 0.000 2.383 272 S HA -0.073 4.336 4.470 -0.102 0.000 0.227 272 S C 1.894 176.421 174.600 -0.122 0.000 1.026 272 S CA 1.135 59.253 58.200 -0.135 0.000 0.981 272 S CB 0.100 63.224 63.200 -0.126 0.000 0.818 272 S HN 0.361 nan 8.310 nan 0.000 0.472 273 K N 1.175 121.475 120.400 -0.167 0.000 2.214 273 K HA 0.086 4.345 4.320 -0.102 0.000 0.201 273 K C 1.588 178.174 176.600 -0.022 0.000 1.049 273 K CA 1.135 57.356 56.287 -0.109 0.000 0.978 273 K CB -0.679 31.675 32.500 -0.244 0.000 0.842 273 K HN 0.461 nan 8.250 nan 0.000 0.474 274 D N 1.135 121.540 120.400 0.007 0.000 2.110 274 D HA -0.110 4.469 4.640 -0.102 0.000 0.202 274 D C 1.890 178.290 176.300 0.167 0.000 0.975 274 D CA 0.899 54.979 54.000 0.133 0.000 0.839 274 D CB -0.640 40.282 40.800 0.204 0.000 0.996 274 D HN 0.063 nan 8.370 nan 0.000 0.464 275 L N -0.631 120.601 121.223 0.014 0.000 2.558 275 L HA 0.280 4.558 4.340 -0.102 0.000 0.225 275 L C 1.307 178.105 176.870 -0.120 0.000 1.128 275 L CA 0.388 55.130 54.840 -0.163 0.000 0.868 275 L CB -0.320 41.566 42.059 -0.289 0.000 1.006 275 L HN 0.348 nan 8.230 nan 0.000 0.454 276 G N 1.153 109.896 108.800 -0.095 0.000 2.246 276 G HA2 -0.279 3.620 3.960 -0.102 0.000 0.273 276 G HA3 -0.279 3.620 3.960 -0.102 0.000 0.273 276 G C 0.249 175.158 174.900 0.015 0.000 1.055 276 G CA 0.038 45.082 45.100 -0.092 0.000 0.851 276 G HN 0.344 nan 8.290 nan 0.000 0.500 277 L N 0.010 121.170 121.223 -0.106 0.000 3.096 277 L HA 0.229 4.508 4.340 -0.102 0.000 0.247 277 L C -0.449 176.295 176.870 -0.209 0.000 1.321 277 L CA -1.309 53.358 54.840 -0.288 0.000 1.044 277 L CB 0.539 42.402 42.059 -0.327 0.000 1.434 277 L HN 0.070 nan 8.230 nan 0.000 0.533 278 P HA -0.164 nan 4.420 nan 0.000 0.218 278 P C 1.559 178.870 177.300 0.017 0.000 1.148 278 P CA 1.454 64.536 63.100 -0.030 0.000 0.822 278 P CB 0.297 31.997 31.700 0.000 0.000 0.784 279 G N -0.981 107.804 108.800 -0.024 0.000 2.471 279 G HA2 -0.193 3.706 3.960 -0.102 0.000 0.219 279 G HA3 -0.193 3.706 3.960 -0.102 0.000 0.219 279 G C 1.061 176.150 174.900 0.315 0.000 1.125 279 G CA 0.103 45.267 45.100 0.106 0.000 0.775 279 G HN 0.128 nan 8.290 nan 0.000 0.548 280 F N 0.527 120.498 119.950 0.036 0.000 2.710 280 F HA 0.247 4.713 4.527 -0.101 0.000 0.298 280 F C 0.973 176.791 175.800 0.030 0.000 1.137 280 F CA -0.418 57.594 58.000 0.020 0.000 1.444 280 F CB -0.140 38.857 39.000 -0.005 0.000 1.111 280 F HN 0.007 nan 8.300 nan 0.000 0.580 281 R N -0.013 120.617 120.500 0.216 0.000 3.205 281 R HA -0.147 4.132 4.340 -0.102 0.000 0.249 281 R C -1.106 175.275 176.300 0.135 0.000 0.937 281 R CA 0.055 56.243 56.100 0.146 0.000 0.641 281 R CB -2.924 27.459 30.300 0.140 0.000 1.114 281 R HN 0.030 nan 8.270 nan 0.000 0.451 282 V N 0.359 120.346 119.914 0.122 0.000 2.311 282 V HA 0.692 4.751 4.120 -0.102 0.000 0.275 282 V C 1.237 177.355 176.094 0.038 0.000 1.022 282 V CA 0.043 62.424 62.300 0.135 0.000 0.830 282 V CB 1.768 33.714 31.823 0.205 0.000 1.012 282 V HN 0.542 nan 8.190 nan 0.000 0.452 283 G N 3.132 111.964 108.800 0.055 0.000 2.685 283 G HA2 0.914 4.813 3.960 -0.102 0.000 0.298 283 G HA3 0.914 4.813 3.960 -0.102 0.000 0.298 283 G C -1.032 173.895 174.900 0.045 0.000 1.277 283 G CA -0.368 44.737 45.100 0.009 0.000 0.986 283 G HN 1.087 nan 8.290 nan 0.000 0.487 284 A N -0.399 122.459 122.820 0.064 0.000 2.589 284 A HA 0.711 4.970 4.320 -0.102 0.000 0.296 284 A C -1.375 176.302 177.584 0.156 0.000 1.062 284 A CA -0.483 51.617 52.037 0.105 0.000 0.686 284 A CB 1.149 20.228 19.000 0.132 0.000 1.282 284 A HN 0.655 nan 8.150 nan 0.000 0.404 285 I N 1.382 122.019 120.570 0.112 0.000 2.441 285 I HA 0.467 4.576 4.170 -0.102 0.000 0.295 285 I C -1.275 174.986 176.117 0.241 0.000 0.994 285 I CA -0.631 60.745 61.300 0.126 0.000 1.144 285 I CB 1.895 39.719 38.000 -0.294 0.000 1.314 285 I HN 0.743 nan 8.210 nan 0.000 0.445 286 Y N 5.522 126.013 120.300 0.318 0.000 2.373 286 Y HA 0.591 5.079 4.550 -0.102 0.000 0.336 286 Y C -0.568 175.608 175.900 0.461 0.000 0.979 286 Y CA -0.316 57.977 58.100 0.323 0.000 1.080 286 Y CB 1.877 40.509 38.460 0.287 0.000 1.190 286 Y HN 0.488 nan 8.280 nan 0.000 0.446 287 S N 3.812 119.425 115.700 -0.146 0.000 2.541 287 S HA 0.370 4.778 4.470 -0.102 0.000 0.271 287 S C -0.433 174.203 174.600 0.061 0.000 1.133 287 S CA -0.799 57.517 58.200 0.193 0.000 0.876 287 S CB 0.979 64.426 63.200 0.412 0.000 1.105 287 S HN 0.831 nan 8.310 nan 0.000 0.470 288 N N 1.771 120.555 118.700 0.141 0.000 2.422 288 N HA 0.030 4.709 4.740 -0.102 0.000 0.181 288 N C -0.396 175.208 175.510 0.157 0.000 1.080 288 N CA 0.252 53.379 53.050 0.128 0.000 0.893 288 N CB -0.024 38.532 38.487 0.115 0.000 0.973 288 N HN 0.630 nan 8.380 nan 0.000 0.456 289 D N 1.529 122.004 120.400 0.124 0.000 2.339 289 D HA 0.044 4.623 4.640 -0.102 0.000 0.241 289 D C 0.394 176.736 176.300 0.071 0.000 1.183 289 D CA -0.256 53.787 54.000 0.073 0.000 0.859 289 D CB 0.927 41.789 40.800 0.103 0.000 1.067 289 D HN -0.104 nan 8.370 nan 0.000 0.484 290 D N 3.501 123.938 120.400 0.061 0.000 2.158 290 D HA -0.188 4.391 4.640 -0.102 0.000 0.197 290 D C 1.906 178.170 176.300 -0.061 0.000 0.995 290 D CA 1.277 55.258 54.000 -0.033 0.000 0.846 290 D CB 0.076 40.881 40.800 0.008 0.000 0.941 290 D HN 0.573 nan 8.370 nan 0.000 0.456 291 M N -0.169 119.414 119.600 -0.027 0.000 2.175 291 M HA -0.107 4.312 4.480 -0.102 0.000 0.264 291 M C 2.266 178.532 176.300 -0.058 0.000 1.063 291 M CA 0.666 55.943 55.300 -0.038 0.000 1.119 291 M CB 0.045 32.635 32.600 -0.017 0.000 1.377 291 M HN -0.114 nan 8.290 nan 0.000 0.415 292 V N -0.428 119.464 119.914 -0.037 0.000 2.358 292 V HA -0.189 3.870 4.120 -0.102 0.000 0.246 292 V C 2.320 178.337 176.094 -0.129 0.000 1.047 292 V CA 1.412 63.674 62.300 -0.064 0.000 1.035 292 V CB -0.523 31.306 31.823 0.010 0.000 0.658 292 V HN 0.260 nan 8.190 nan 0.000 0.452 293 V N 0.448 120.285 119.914 -0.128 0.000 2.295 293 V HA -0.277 3.782 4.120 -0.102 0.000 0.246 293 V C 2.722 178.689 176.094 -0.212 0.000 1.049 293 V CA 2.117 64.301 62.300 -0.193 0.000 1.024 293 V CB -1.182 30.482 31.823 -0.266 0.000 0.648 293 V HN 0.559 nan 8.190 nan 0.000 0.447 294 A N -0.031 122.681 122.820 -0.180 0.000 1.877 294 A HA -0.123 4.135 4.320 -0.102 0.000 0.216 294 A C 2.431 179.879 177.584 -0.227 0.000 1.186 294 A CA 2.210 54.133 52.037 -0.190 0.000 0.620 294 A CB -0.842 18.084 19.000 -0.124 0.000 0.822 294 A HN 0.575 nan 8.150 nan 0.000 0.443 295 A N -0.220 122.494 122.820 -0.178 0.000 1.877 295 A HA 0.177 4.436 4.320 -0.102 0.000 0.216 295 A C 2.508 179.967 177.584 -0.207 0.000 1.186 295 A CA 2.106 54.042 52.037 -0.167 0.000 0.620 295 A CB -1.032 17.897 19.000 -0.119 0.000 0.822 295 A HN 1.084 nan 8.150 nan 0.000 0.443 296 A N -1.143 121.536 122.820 -0.235 0.000 1.969 296 A HA -0.053 4.205 4.320 -0.102 0.000 0.218 296 A C 2.274 179.688 177.584 -0.284 0.000 1.169 296 A CA 2.206 54.085 52.037 -0.264 0.000 0.635 296 A CB -1.165 17.624 19.000 -0.352 0.000 0.810 296 A HN 0.428 nan 8.150 nan 0.000 0.445 297 T N 0.134 114.475 114.554 -0.357 0.000 2.708 297 T HA -0.136 4.153 4.350 -0.102 0.000 0.266 297 T C 1.918 176.193 174.700 -0.709 0.000 1.037 297 T CA 1.800 63.587 62.100 -0.522 0.000 1.146 297 T CB -0.201 68.273 68.868 -0.657 0.000 0.865 297 T HN 0.570 nan 8.240 nan 0.000 0.435 298 K N 0.612 120.622 120.400 -0.649 0.000 2.097 298 K HA 0.091 4.350 4.320 -0.102 0.000 0.206 298 K C 2.311 178.726 176.600 -0.308 0.000 1.049 298 K CA 1.085 57.056 56.287 -0.526 0.000 0.933 298 K CB -0.194 32.119 32.500 -0.311 0.000 0.717 298 K HN 0.311 nan 8.250 nan 0.000 0.442 299 M N 0.878 120.352 119.600 -0.211 0.000 2.394 299 M HA -0.113 4.306 4.480 -0.102 0.000 0.264 299 M C 2.113 178.389 176.300 -0.041 0.000 1.073 299 M CA 1.246 56.518 55.300 -0.048 0.000 1.111 299 M CB -0.174 32.417 32.600 -0.016 0.000 1.401 299 M HN 0.167 nan 8.290 nan 0.000 0.448 300 S N -0.797 114.825 115.700 -0.130 0.000 2.469 300 S HA -0.074 4.335 4.470 -0.102 0.000 0.238 300 S C 1.698 176.249 174.600 -0.081 0.000 0.998 300 S CA 1.278 59.437 58.200 -0.068 0.000 0.957 300 S CB -0.456 62.697 63.200 -0.078 0.000 0.764 300 S HN 0.356 nan 8.310 nan 0.000 0.514 301 S N 1.390 116.961 115.700 -0.215 0.000 2.420 301 S HA -0.006 4.403 4.470 -0.102 0.000 0.237 301 S C 0.930 175.322 174.600 -0.346 0.000 1.023 301 S CA 1.320 59.335 58.200 -0.310 0.000 0.991 301 S CB -0.544 62.357 63.200 -0.499 0.000 0.792 301 S HN 0.698 nan 8.310 nan 0.000 0.488 302 F N 0.670 120.606 119.950 -0.024 0.000 2.780 302 F HA 0.316 4.781 4.527 -0.102 0.000 0.299 302 F C 1.569 177.370 175.800 0.002 0.000 1.146 302 F CA 0.006 57.991 58.000 -0.025 0.000 1.428 302 F CB 0.074 39.042 39.000 -0.054 0.000 1.115 302 F HN 0.204 nan 8.300 nan 0.000 0.583 303 G N 0.684 109.565 108.800 0.135 0.000 4.379 303 G HA2 0.395 4.294 3.960 -0.102 0.000 0.243 303 G HA3 0.395 4.294 3.960 -0.102 0.000 0.243 303 G C -0.505 174.443 174.900 0.081 0.000 1.009 303 G CA -0.428 44.741 45.100 0.114 0.000 0.646 303 G HN 0.015 nan 8.290 nan 0.000 0.475 304 L N 0.379 121.637 121.223 0.058 0.000 2.453 304 L HA 0.409 4.688 4.340 -0.102 0.000 0.261 304 L C 0.565 177.485 176.870 0.083 0.000 1.179 304 L CA -0.798 54.080 54.840 0.062 0.000 0.813 304 L CB 1.389 43.469 42.059 0.035 0.000 1.110 304 L HN -0.034 nan 8.230 nan 0.000 0.466 305 V N 1.222 121.202 119.914 0.110 0.000 2.546 305 V HA 0.060 4.119 4.120 -0.102 0.000 0.284 305 V C 0.582 176.726 176.094 0.083 0.000 1.050 305 V CA -0.315 62.051 62.300 0.110 0.000 0.981 305 V CB 1.445 33.365 31.823 0.162 0.000 0.990 305 V HN 0.841 nan 8.190 nan 0.000 0.474 306 S N 3.376 119.102 115.700 0.045 0.000 2.563 306 S HA -0.025 4.384 4.470 -0.102 0.000 0.294 306 S C 1.610 176.219 174.600 0.015 0.000 1.279 306 S CA 0.117 58.331 58.200 0.024 0.000 1.069 306 S CB 0.614 63.809 63.200 -0.008 0.000 0.828 306 S HN 1.113 nan 8.310 nan 0.000 0.497 307 S N 3.957 119.694 115.700 0.062 0.000 2.423 307 S HA -0.196 4.213 4.470 -0.102 0.000 0.231 307 S C 1.781 176.390 174.600 0.015 0.000 1.014 307 S CA 1.158 59.407 58.200 0.081 0.000 0.965 307 S CB -0.526 62.775 63.200 0.167 0.000 0.785 307 S HN 0.897 nan 8.310 nan 0.000 0.495 308 Q N 1.225 121.043 119.800 0.030 0.000 2.084 308 Q HA -0.135 4.144 4.340 -0.102 0.000 0.202 308 Q C 1.830 177.742 176.000 -0.146 0.000 0.978 308 Q CA 1.972 57.792 55.803 0.027 0.000 0.844 308 Q CB -0.557 28.235 28.738 0.091 0.000 0.898 308 Q HN 0.615 nan 8.270 nan 0.000 0.426 309 T N 0.905 115.332 114.554 -0.212 0.000 2.812 309 T HA -0.114 4.175 4.350 -0.102 0.000 0.264 309 T C 1.717 176.142 174.700 -0.458 0.000 1.042 309 T CA 1.278 63.166 62.100 -0.352 0.000 1.140 309 T CB -0.104 68.571 68.868 -0.320 0.000 0.870 309 T HN 0.387 nan 8.240 nan 0.000 0.445 310 Q N -0.092 119.435 119.800 -0.455 0.000 2.096 310 Q HA -0.195 4.084 4.340 -0.102 0.000 0.204 310 Q C 2.215 177.834 176.000 -0.635 0.000 0.982 310 Q CA 1.720 57.017 55.803 -0.843 0.000 0.850 310 Q CB -0.239 28.296 28.738 -0.340 0.000 0.901 310 Q HN 0.618 nan 8.270 nan 0.000 0.422 311 H N 0.669 119.517 119.070 -0.370 0.000 2.326 311 H HA -0.134 4.361 4.556 -0.102 0.000 0.301 311 H C 1.885 177.076 175.328 -0.229 0.000 1.081 311 H CA 1.514 57.417 56.048 -0.242 0.000 1.334 311 H CB -0.253 29.415 29.762 -0.157 0.000 1.385 311 H HN 0.169 nan 8.280 nan 0.000 0.504 312 L N 0.264 121.278 121.223 -0.347 0.000 1.989 312 L HA -0.146 4.133 4.340 -0.102 0.000 0.211 312 L C 2.073 178.749 176.870 -0.324 0.000 1.071 312 L CA 1.778 56.423 54.840 -0.325 0.000 0.749 312 L CB -0.708 41.196 42.059 -0.258 0.000 0.890 312 L HN 0.418 nan 8.230 nan 0.000 0.431 313 L N -0.671 120.325 121.223 -0.378 0.000 2.291 313 L HA -0.093 4.186 4.340 -0.102 0.000 0.214 313 L C 2.610 179.387 176.870 -0.156 0.000 1.120 313 L CA 0.981 55.646 54.840 -0.292 0.000 0.799 313 L CB -0.790 41.127 42.059 -0.237 0.000 0.925 313 L HN 0.517 nan 8.230 nan 0.000 0.446 314 S N 0.380 115.974 115.700 -0.177 0.000 2.383 314 S HA -0.141 4.268 4.470 -0.102 0.000 0.227 314 S C 2.182 176.741 174.600 -0.068 0.000 1.026 314 S CA 0.817 59.054 58.200 0.062 0.000 0.981 314 S CB -0.280 62.947 63.200 0.045 0.000 0.818 314 S HN 0.335 nan 8.310 nan 0.000 0.472 315 A N 2.044 124.757 122.820 -0.178 0.000 1.898 315 A HA 0.166 4.425 4.320 -0.102 0.000 0.216 315 A C 2.402 179.900 177.584 -0.143 0.000 1.181 315 A CA 1.485 53.478 52.037 -0.072 0.000 0.620 315 A CB -0.732 18.262 19.000 -0.011 0.000 0.819 315 A HN 0.564 nan 8.150 nan 0.000 0.442 316 M N -0.500 118.807 119.600 -0.487 0.000 2.067 316 M HA -0.098 4.321 4.480 -0.102 0.000 0.260 316 M C 1.954 177.862 176.300 -0.654 0.000 1.069 316 M CA 1.494 56.155 55.300 -1.065 0.000 1.117 316 M CB -0.535 31.494 32.600 -0.951 0.000 1.334 316 M HN 0.329 nan 8.290 nan 0.000 0.407 317 L N -0.834 120.136 121.223 -0.421 0.000 2.465 317 L HA -0.082 4.197 4.340 -0.102 0.000 0.224 317 L C 2.126 178.894 176.870 -0.169 0.000 1.145 317 L CA 0.370 54.994 54.840 -0.360 0.000 0.834 317 L CB -0.449 41.416 42.059 -0.323 0.000 0.944 317 L HN 0.236 nan 8.230 nan 0.000 0.451 318 S N -1.414 114.225 115.700 -0.101 0.000 2.527 318 S HA -0.054 4.355 4.470 -0.102 0.000 0.222 318 S C 0.739 175.353 174.600 0.023 0.000 0.985 318 S CA 0.170 58.365 58.200 -0.009 0.000 0.921 318 S CB -0.176 63.039 63.200 0.024 0.000 0.772 318 S HN 0.311 nan 8.310 nan 0.000 0.529 319 D N 1.995 122.398 120.400 0.005 0.000 2.374 319 D HA 0.102 4.680 4.640 -0.102 0.000 0.240 319 D C 0.790 177.122 176.300 0.053 0.000 1.229 319 D CA -0.059 53.996 54.000 0.093 0.000 0.895 319 D CB 0.508 41.447 40.800 0.233 0.000 1.046 319 D HN -0.094 nan 8.370 nan 0.000 0.498 320 K N 2.836 123.280 120.400 0.072 0.000 2.209 320 K HA -0.111 4.148 4.320 -0.102 0.000 0.204 320 K C 1.508 178.159 176.600 0.084 0.000 1.048 320 K CA 0.757 57.089 56.287 0.074 0.000 0.940 320 K CB 0.234 32.776 32.500 0.071 0.000 0.729 320 K HN 0.473 nan 8.250 nan 0.000 0.451 321 K N 0.482 120.941 120.400 0.099 0.000 2.103 321 K HA -0.075 4.184 4.320 -0.102 0.000 0.204 321 K C 2.114 178.785 176.600 0.118 0.000 1.052 321 K CA 0.546 56.895 56.287 0.105 0.000 0.945 321 K CB -0.157 32.411 32.500 0.113 0.000 0.722 321 K HN -0.037 nan 8.250 nan 0.000 0.443 322 L N 1.535 122.832 121.223 0.124 0.000 2.005 322 L HA -0.178 4.101 4.340 -0.102 0.000 0.207 322 L C 2.434 179.353 176.870 0.081 0.000 1.072 322 L CA 2.195 57.092 54.840 0.095 0.000 0.744 322 L CB -0.978 41.043 42.059 -0.063 0.000 0.895 322 L HN 0.306 nan 8.230 nan 0.000 0.433 323 T N -2.598 111.983 114.554 0.046 0.000 2.720 323 T HA -0.289 4.000 4.350 -0.102 0.000 0.268 323 T C 1.988 176.817 174.700 0.215 0.000 1.037 323 T CA 1.728 63.919 62.100 0.153 0.000 1.144 323 T CB -0.559 68.434 68.868 0.208 0.000 0.864 323 T HN 0.420 nan 8.240 nan 0.000 0.444 324 K N 1.146 121.629 120.400 0.139 0.000 2.026 324 K HA -0.130 4.129 4.320 -0.102 0.000 0.208 324 K C 2.283 178.931 176.600 0.080 0.000 1.048 324 K CA 1.564 57.909 56.287 0.098 0.000 0.929 324 K CB -0.218 32.327 32.500 0.075 0.000 0.713 324 K HN 0.259 nan 8.250 nan 0.000 0.439 325 N N -0.068 118.686 118.700 0.091 0.000 2.188 325 N HA -0.177 4.502 4.740 -0.102 0.000 0.184 325 N C 1.661 177.201 175.510 0.049 0.000 1.018 325 N CA 1.017 54.106 53.050 0.065 0.000 0.858 325 N CB -0.379 38.156 38.487 0.080 0.000 0.989 325 N HN 0.290 nan 8.380 nan 0.000 0.426 326 Y N 1.777 122.084 120.300 0.013 0.000 2.163 326 Y HA -0.045 4.444 4.550 -0.102 0.000 0.288 326 Y C 2.254 178.135 175.900 -0.031 0.000 1.136 326 Y CA 1.289 59.390 58.100 0.002 0.000 1.147 326 Y CB -0.358 38.106 38.460 0.008 0.000 0.987 326 Y HN -0.073 nan 8.280 nan 0.000 0.509 327 I N -0.032 120.617 120.570 0.131 0.000 2.208 327 I HA -0.368 3.740 4.170 -0.102 0.000 0.245 327 I C 2.657 178.539 176.117 -0.392 0.000 1.097 327 I CA 1.291 62.514 61.300 -0.129 0.000 1.363 327 I CB -0.800 37.118 38.000 -0.137 0.000 1.051 327 I HN 0.336 nan 8.210 nan 0.000 0.413 328 A N 0.365 123.063 122.820 -0.203 0.000 1.877 328 A HA -0.272 3.987 4.320 -0.102 0.000 0.216 328 A C 2.234 179.759 177.584 -0.099 0.000 1.186 328 A CA 2.154 54.115 52.037 -0.126 0.000 0.620 328 A CB -0.566 18.410 19.000 -0.039 0.000 0.822 328 A HN 0.397 nan 8.150 nan 0.000 0.443 329 E N 0.159 120.272 120.200 -0.145 0.000 2.107 329 E HA -0.158 4.131 4.350 -0.102 0.000 0.191 329 E C 1.885 178.366 176.600 -0.199 0.000 0.982 329 E CA 1.372 57.679 56.400 -0.155 0.000 0.809 329 E CB -0.331 29.262 29.700 -0.180 0.000 0.756 329 E HN 0.572 nan 8.360 nan 0.000 0.459 330 N N -0.390 118.115 118.700 -0.326 0.000 2.120 330 N HA -0.160 4.519 4.740 -0.102 0.000 0.188 330 N C 1.579 177.097 175.510 0.014 0.000 1.024 330 N CA 1.712 54.608 53.050 -0.258 0.000 0.852 330 N CB -0.237 38.060 38.487 -0.316 0.000 1.003 330 N HN 0.425 nan 8.380 nan 0.000 0.424 331 H N -0.403 118.648 119.070 -0.032 0.000 2.353 331 H HA -0.095 4.401 4.556 -0.101 0.000 0.300 331 H C 2.014 177.345 175.328 0.006 0.000 1.090 331 H CA 1.204 57.286 56.048 0.057 0.000 1.327 331 H CB 0.120 29.924 29.762 0.071 0.000 1.383 331 H HN 0.240 nan 8.280 nan 0.000 0.508 332 K N 1.353 121.811 120.400 0.097 0.000 2.002 332 K HA -0.158 4.101 4.320 -0.102 0.000 0.209 332 K C 2.243 178.802 176.600 -0.068 0.000 1.048 332 K CA 1.360 57.652 56.287 0.007 0.000 0.930 332 K CB 0.059 32.552 32.500 -0.012 0.000 0.714 332 K HN 0.206 nan 8.250 nan 0.000 0.438 333 R N 0.415 120.866 120.500 -0.083 0.000 2.092 333 R HA -0.065 4.213 4.340 -0.102 0.000 0.231 333 R C 2.486 178.686 176.300 -0.167 0.000 1.119 333 R CA 1.206 57.238 56.100 -0.114 0.000 0.970 333 R CB -0.321 29.916 30.300 -0.105 0.000 0.864 333 R HN 0.244 nan 8.270 nan 0.000 0.440 334 L N 0.868 121.992 121.223 -0.165 0.000 2.027 334 L HA -0.181 4.097 4.340 -0.102 0.000 0.206 334 L C 2.688 179.076 176.870 -0.802 0.000 1.074 334 L CA 1.400 56.065 54.840 -0.292 0.000 0.745 334 L CB -0.382 41.628 42.059 -0.081 0.000 0.898 334 L HN 0.154 nan 8.230 nan 0.000 0.433 335 K N 0.067 120.028 120.400 -0.732 0.000 2.057 335 K HA -0.280 3.979 4.320 -0.102 0.000 0.207 335 K C 2.193 178.489 176.600 -0.507 0.000 1.049 335 K CA 1.772 57.603 56.287 -0.761 0.000 0.931 335 K CB -0.072 32.300 32.500 -0.213 0.000 0.714 335 K HN 0.265 nan 8.250 nan 0.000 0.440 336 Q N 0.241 119.841 119.800 -0.333 0.000 2.084 336 Q HA -0.229 4.050 4.340 -0.102 0.000 0.202 336 Q C 2.123 177.938 176.000 -0.308 0.000 0.978 336 Q CA 1.548 57.203 55.803 -0.247 0.000 0.844 336 Q CB -0.048 28.594 28.738 -0.160 0.000 0.898 336 Q HN 0.096 nan 8.270 nan 0.000 0.426 337 R N 0.516 120.787 120.500 -0.381 0.000 2.075 337 R HA -0.106 4.173 4.340 -0.102 0.000 0.232 337 R C 2.200 178.055 176.300 -0.740 0.000 1.126 337 R CA 1.882 57.736 56.100 -0.410 0.000 0.963 337 R CB -0.455 29.694 30.300 -0.252 0.000 0.858 337 R HN 0.389 nan 8.270 nan 0.000 0.435 338 Q N 0.554 119.657 119.800 -1.161 0.000 2.084 338 Q HA -0.178 4.101 4.340 -0.102 0.000 0.202 338 Q C 1.544 177.215 176.000 -0.548 0.000 0.978 338 Q CA 1.743 56.784 55.803 -1.270 0.000 0.844 338 Q CB 0.022 28.081 28.738 -1.132 0.000 0.898 338 Q HN 0.333 nan 8.270 nan 0.000 0.426 339 K N 0.437 120.597 120.400 -0.400 0.000 2.097 339 K HA -0.180 4.079 4.320 -0.102 0.000 0.206 339 K C 2.177 178.675 176.600 -0.170 0.000 1.049 339 K CA 1.494 57.655 56.287 -0.210 0.000 0.933 339 K CB -0.070 32.333 32.500 -0.162 0.000 0.717 339 K HN 0.069 nan 8.250 nan 0.000 0.442 340 K N 1.059 121.338 120.400 -0.202 0.000 2.097 340 K HA -0.150 4.109 4.320 -0.102 0.000 0.205 340 K C 2.041 178.577 176.600 -0.107 0.000 1.050 340 K CA 0.889 57.095 56.287 -0.134 0.000 0.938 340 K CB -0.076 32.347 32.500 -0.128 0.000 0.718 340 K HN -0.001 nan 8.250 nan 0.000 0.442 341 L N 0.608 121.745 121.223 -0.144 0.000 2.027 341 L HA -0.089 4.189 4.340 -0.102 0.000 0.206 341 L C 1.938 178.791 176.870 -0.028 0.000 1.074 341 L CA 1.404 56.210 54.840 -0.058 0.000 0.745 341 L CB -0.401 41.649 42.059 -0.015 0.000 0.898 341 L HN 0.041 nan 8.230 nan 0.000 0.433 342 V N -0.925 118.961 119.914 -0.048 0.000 2.295 342 V HA -0.284 3.775 4.120 -0.102 0.000 0.246 342 V C 2.775 178.863 176.094 -0.009 0.000 1.049 342 V CA 1.911 64.209 62.300 -0.004 0.000 1.024 342 V CB -0.915 30.906 31.823 -0.003 0.000 0.648 342 V HN 0.643 nan 8.190 nan 0.000 0.447 343 S N 0.310 115.991 115.700 -0.031 0.000 2.368 343 S HA -0.115 4.293 4.470 -0.102 0.000 0.225 343 S C 2.064 176.654 174.600 -0.018 0.000 1.030 343 S CA 1.686 59.871 58.200 -0.025 0.000 0.999 343 S CB -0.571 62.607 63.200 -0.036 0.000 0.844 343 S HN 0.640 nan 8.310 nan 0.000 0.459 344 G N 1.232 110.020 108.800 -0.021 0.000 2.408 344 G HA2 -0.058 3.841 3.960 -0.102 0.000 0.217 344 G HA3 -0.058 3.841 3.960 -0.102 0.000 0.217 344 G C 1.408 176.306 174.900 -0.004 0.000 1.150 344 G CA 0.722 45.814 45.100 -0.013 0.000 0.776 344 G HN 0.520 nan 8.290 nan 0.000 0.542 345 L N -0.230 120.994 121.223 0.002 0.000 2.156 345 L HA -0.044 4.234 4.340 -0.102 0.000 0.208 345 L C 3.089 179.963 176.870 0.006 0.000 1.095 345 L CA 0.756 55.600 54.840 0.007 0.000 0.770 345 L CB -0.353 41.718 42.059 0.020 0.000 0.914 345 L HN 0.264 nan 8.230 nan 0.000 0.439 346 Q N 0.226 120.028 119.800 0.004 0.000 2.170 346 Q HA -0.214 4.064 4.340 -0.102 0.000 0.203 346 Q C 1.957 177.953 176.000 -0.005 0.000 0.976 346 Q CA 1.269 57.071 55.803 -0.001 0.000 0.858 346 Q CB -0.058 28.678 28.738 -0.002 0.000 0.907 346 Q HN 0.446 nan 8.270 nan 0.000 0.433 347 K N -0.071 120.327 120.400 -0.003 0.000 2.442 347 K HA -0.004 4.255 4.320 -0.102 0.000 0.198 347 K C 1.222 177.824 176.600 0.002 0.000 1.042 347 K CA 0.598 56.884 56.287 -0.002 0.000 0.958 347 K CB 0.228 32.727 32.500 -0.002 0.000 0.766 347 K HN -0.070 nan 8.250 nan 0.000 0.474 348 S N -0.457 115.246 115.700 0.005 0.000 2.568 348 S HA 0.154 4.563 4.470 -0.102 0.000 0.232 348 S C 0.748 175.358 174.600 0.016 0.000 0.975 348 S CA 0.298 58.506 58.200 0.014 0.000 0.949 348 S CB 1.126 64.336 63.200 0.017 0.000 0.829 348 S HN 0.545 nan 8.310 nan 0.000 0.479 349 G N 1.991 110.790 108.800 -0.002 0.000 2.160 349 G HA2 -0.250 3.649 3.960 -0.102 0.000 0.251 349 G HA3 -0.250 3.649 3.960 -0.102 0.000 0.251 349 G C -0.041 174.846 174.900 -0.023 0.000 1.008 349 G CA 0.058 45.139 45.100 -0.031 0.000 0.724 349 G HN 0.535 nan 8.290 nan 0.000 0.514 350 I N 1.211 121.793 120.570 0.021 0.000 2.354 350 I HA 0.458 4.567 4.170 -0.102 0.000 0.292 350 I C 0.437 176.567 176.117 0.022 0.000 0.989 350 I CA -0.572 60.761 61.300 0.054 0.000 1.188 350 I CB 1.823 39.837 38.000 0.024 0.000 1.342 350 I HN 0.064 nan 8.210 nan 0.000 0.457 351 S N 4.028 119.739 115.700 0.018 0.000 2.690 351 S HA 0.608 5.017 4.470 -0.102 0.000 0.291 351 S C -0.612 174.038 174.600 0.084 0.000 1.138 351 S CA -0.553 57.670 58.200 0.040 0.000 1.013 351 S CB 1.697 64.915 63.200 0.031 0.000 1.053 351 S HN 0.614 nan 8.310 nan 0.000 0.539 352 C N 1.532 120.923 119.300 0.151 0.000 2.667 352 C HA 0.591 4.989 4.460 -0.102 0.000 0.323 352 C C -0.087 175.106 174.990 0.339 0.000 1.214 352 C CA -0.901 58.270 59.018 0.255 0.000 1.721 352 C CB 0.875 28.756 27.740 0.235 0.000 2.275 352 C HN 0.844 nan 8.230 nan 0.000 0.491 353 L N 2.836 124.355 121.223 0.493 0.000 2.455 353 L HA 0.162 4.440 4.340 -0.102 0.000 0.272 353 L C 0.700 177.755 176.870 0.308 0.000 1.174 353 L CA 0.649 55.767 54.840 0.463 0.000 0.869 353 L CB -0.050 42.331 42.059 0.537 0.000 1.130 353 L HN 0.744 nan 8.230 nan 0.000 0.474 354 N N 3.453 122.292 118.700 0.232 0.000 2.411 354 N HA 0.112 4.791 4.740 -0.102 0.000 0.282 354 N C -0.093 175.505 175.510 0.147 0.000 1.322 354 N CA 0.323 53.472 53.050 0.166 0.000 0.943 354 N CB 0.177 38.738 38.487 0.124 0.000 1.266 354 N HN 0.864 nan 8.380 nan 0.000 0.486 355 G N 1.786 110.680 108.800 0.156 0.000 2.597 355 G HA2 0.218 4.116 3.960 -0.102 0.000 0.317 355 G HA3 0.218 4.116 3.960 -0.102 0.000 0.317 355 G C 0.187 175.104 174.900 0.027 0.000 1.230 355 G CA -0.543 44.622 45.100 0.109 0.000 0.996 355 G HN 0.769 nan 8.290 nan 0.000 0.490 356 N N -1.616 116.980 118.700 -0.173 0.000 2.110 356 N HA 0.388 5.067 4.740 -0.102 0.000 0.230 356 N C -0.169 174.594 175.510 -1.245 0.000 1.353 356 N CA 0.399 53.119 53.050 -0.549 0.000 0.807 356 N CB 0.868 39.169 38.487 -0.310 0.000 1.244 356 N HN 0.837 nan 8.380 nan 0.000 0.504 357 A N -0.592 121.737 122.820 -0.818 0.000 2.581 357 A HA 0.880 5.139 4.320 -0.102 0.000 0.290 357 A C 0.325 177.746 177.584 -0.272 0.000 1.119 357 A CA -0.113 51.530 52.037 -0.657 0.000 0.670 357 A CB 0.820 19.596 19.000 -0.373 0.000 1.280 357 A HN 1.025 nan 8.150 nan 0.000 0.425 358 G N -1.704 106.937 108.800 -0.265 0.000 2.660 358 G HA2 0.117 4.015 3.960 -0.102 0.000 0.215 358 G HA3 0.117 4.015 3.960 -0.102 0.000 0.215 358 G C -0.195 174.292 174.900 -0.689 0.000 1.345 358 G CA -0.093 44.556 45.100 -0.752 0.000 0.877 358 G HN 1.523 nan 8.290 nan 0.000 0.549 359 L N 0.277 120.574 121.223 -1.542 0.000 3.168 359 L HA 0.531 4.810 4.340 -0.102 0.000 0.277 359 L C -0.080 175.807 176.870 -1.638 0.000 1.245 359 L CA -0.160 53.930 54.840 -1.249 0.000 1.035 359 L CB -0.368 41.330 42.059 -0.601 0.000 1.399 359 L HN 0.576 nan 8.230 nan 0.000 0.580 360 F N -3.152 116.339 119.950 -0.765 0.000 2.741 360 F HA 0.645 5.108 4.527 -0.107 0.000 0.313 360 F C -0.688 175.211 175.800 0.164 0.000 1.153 360 F CA -1.836 55.942 58.000 -0.370 0.000 0.931 360 F CB 0.474 39.344 39.000 -0.218 0.000 1.335 360 F HN -0.356 nan 8.300 nan 0.000 0.460 361 C N 0.885 120.517 119.300 0.552 0.000 2.561 361 C HA 0.445 4.843 4.460 -0.102 0.000 0.319 361 C C -0.966 174.345 174.990 0.535 0.000 1.198 361 C CA -0.558 58.773 59.018 0.521 0.000 1.665 361 C CB 1.930 29.928 27.740 0.430 0.000 2.258 361 C HN 0.936 nan 8.230 nan 0.000 0.493 362 W N 3.436 124.889 121.300 0.255 0.000 2.311 362 W HA 0.581 5.186 4.660 -0.092 0.000 0.317 362 W C -1.269 175.491 176.519 0.402 0.000 1.065 362 W CA -0.419 57.065 57.345 0.230 0.000 1.364 362 W CB 1.007 30.504 29.460 0.063 0.000 1.233 362 W HN 0.453 nan 8.180 nan 0.000 0.409 363 V N 5.673 125.713 119.914 0.210 0.000 2.465 363 V HA 0.011 4.069 4.120 -0.102 0.000 0.279 363 V C 0.100 176.130 176.094 -0.108 0.000 1.045 363 V CA -0.261 62.108 62.300 0.115 0.000 0.938 363 V CB 1.472 33.345 31.823 0.083 0.000 0.986 363 V HN 0.384 nan 8.190 nan 0.000 0.467 364 D N 4.887 125.120 120.400 -0.279 0.000 2.411 364 D HA 0.349 4.928 4.640 -0.102 0.000 0.225 364 D C 0.228 176.273 176.300 -0.423 0.000 1.156 364 D CA -0.107 53.401 54.000 -0.819 0.000 0.874 364 D CB 0.931 41.254 40.800 -0.795 0.000 1.034 364 D HN 0.492 nan 8.370 nan 0.000 0.502 365 M N 3.065 122.417 119.600 -0.413 0.000 2.589 365 M HA 0.211 4.630 4.480 -0.102 0.000 0.344 365 M C 1.522 177.609 176.300 -0.355 0.000 1.168 365 M CA -0.330 54.757 55.300 -0.356 0.000 0.956 365 M CB 0.705 33.136 32.600 -0.282 0.000 1.370 365 M HN 0.172 nan 8.290 nan 0.000 0.518 366 R N 0.499 120.789 120.500 -0.349 0.000 2.105 366 R HA -0.153 4.125 4.340 -0.102 0.000 0.239 366 R C 2.122 178.332 176.300 -0.149 0.000 1.135 366 R CA 1.647 57.606 56.100 -0.235 0.000 0.967 366 R CB -0.541 29.617 30.300 -0.237 0.000 0.861 366 R HN 0.600 nan 8.270 nan 0.000 0.442 367 H N 0.098 119.069 119.070 -0.165 0.000 2.561 367 H HA -0.011 4.530 4.556 -0.024 0.000 0.278 367 H C 1.318 176.575 175.328 -0.118 0.000 1.014 367 H CA 0.756 56.734 56.048 -0.117 0.000 1.211 367 H CB -0.058 29.631 29.762 -0.121 0.000 1.365 367 H HN 0.247 nan 8.280 nan 0.000 0.594 368 L N 0.925 121.798 121.223 -0.585 0.000 2.640 368 L HA 0.263 4.542 4.340 -0.102 0.000 0.230 368 L C 0.467 177.316 176.870 -0.035 0.000 1.123 368 L CA -0.134 54.387 54.840 -0.533 0.000 0.900 368 L CB 0.313 41.864 42.059 -0.847 0.000 1.146 368 L HN 0.061 nan 8.230 nan 0.000 0.484 369 L N -0.018 121.192 121.223 -0.022 0.000 2.395 369 L HA 0.202 4.481 4.340 -0.102 0.000 0.269 369 L C 1.669 178.589 176.870 0.083 0.000 1.133 369 L CA -0.000 54.871 54.840 0.052 0.000 0.812 369 L CB 1.147 43.208 42.059 0.005 0.000 1.125 369 L HN 0.110 nan 8.230 nan 0.000 0.452 370 R N 0.856 121.404 120.500 0.081 0.000 2.092 370 R HA -0.048 4.230 4.340 -0.102 0.000 0.231 370 R C 0.545 176.867 176.300 0.036 0.000 1.119 370 R CA 1.000 57.134 56.100 0.058 0.000 0.970 370 R CB 0.297 30.624 30.300 0.045 0.000 0.864 370 R HN 0.680 nan 8.270 nan 0.000 0.440 371 S N -1.795 113.918 115.700 0.023 0.000 2.615 371 S HA 0.109 4.518 4.470 -0.102 0.000 0.269 371 S C -1.439 173.146 174.600 -0.026 0.000 1.161 371 S CA -0.821 57.381 58.200 0.003 0.000 0.817 371 S CB 1.390 64.592 63.200 0.004 0.000 1.131 371 S HN 0.408 nan 8.310 nan 0.000 0.467 372 N N 1.829 120.503 118.700 -0.043 0.000 3.103 372 N HA 0.195 4.874 4.740 -0.102 0.000 0.305 372 N C -0.386 175.040 175.510 -0.140 0.000 1.232 372 N CA 0.245 53.241 53.050 -0.089 0.000 1.190 372 N CB -0.256 38.189 38.487 -0.069 0.000 1.461 372 N HN 0.645 nan 8.380 nan 0.000 0.538 373 T N -2.698 111.765 114.554 -0.151 0.000 2.883 373 T HA 0.298 4.587 4.350 -0.102 0.000 0.301 373 T C 0.476 175.061 174.700 -0.191 0.000 1.158 373 T CA -0.721 61.278 62.100 -0.168 0.000 1.007 373 T CB 0.666 69.514 68.868 -0.032 0.000 1.186 373 T HN -0.021 nan 8.240 nan 0.000 0.499 374 F N 0.581 120.538 119.950 0.013 0.000 2.407 374 F HA 0.164 4.630 4.527 -0.101 0.000 0.299 374 F C 2.375 178.184 175.800 0.015 0.000 1.097 374 F CA 0.595 58.593 58.000 -0.004 0.000 1.422 374 F CB -0.461 38.526 39.000 -0.022 0.000 1.067 374 F HN 0.704 nan 8.300 nan 0.000 0.539 375 E N 0.093 120.397 120.200 0.172 0.000 2.106 375 E HA -0.148 4.141 4.350 -0.102 0.000 0.192 375 E C 2.418 179.089 176.600 0.119 0.000 0.984 375 E CA 1.025 57.504 56.400 0.131 0.000 0.806 375 E CB -0.307 29.450 29.700 0.096 0.000 0.750 375 E HN 0.354 nan 8.360 nan 0.000 0.458 376 A N 1.504 124.376 122.820 0.088 0.000 1.968 376 A HA -0.215 4.044 4.320 -0.102 0.000 0.217 376 A C 2.068 179.732 177.584 0.133 0.000 1.169 376 A CA 1.348 53.438 52.037 0.088 0.000 0.638 376 A CB -0.347 18.681 19.000 0.047 0.000 0.812 376 A HN 0.253 nan 8.150 nan 0.000 0.446 377 E N -0.735 119.543 120.200 0.129 0.000 2.051 377 E HA -0.197 4.092 4.350 -0.102 0.000 0.192 377 E C 1.864 178.632 176.600 0.279 0.000 0.991 377 E CA 1.391 57.898 56.400 0.178 0.000 0.799 377 E CB -0.164 29.593 29.700 0.096 0.000 0.748 377 E HN 0.429 nan 8.360 nan 0.000 0.449 378 M N 0.818 120.562 119.600 0.239 0.000 2.213 378 M HA -0.129 4.289 4.480 -0.102 0.000 0.263 378 M C 2.143 178.654 176.300 0.352 0.000 1.062 378 M CA 1.390 56.881 55.300 0.319 0.000 1.105 378 M CB -0.941 31.798 32.600 0.233 0.000 1.385 378 M HN 0.255 nan 8.290 nan 0.000 0.417 379 E N 0.429 120.774 120.200 0.242 0.000 2.051 379 E HA -0.228 4.061 4.350 -0.102 0.000 0.192 379 E C 2.049 178.769 176.600 0.201 0.000 0.991 379 E CA 1.117 57.628 56.400 0.186 0.000 0.799 379 E CB -0.098 29.679 29.700 0.129 0.000 0.748 379 E HN 0.283 nan 8.360 nan 0.000 0.449 380 L N 0.424 121.793 121.223 0.244 0.000 2.017 380 L HA -0.135 4.144 4.340 -0.102 0.000 0.208 380 L C 2.107 179.110 176.870 0.221 0.000 1.073 380 L CA 2.176 57.154 54.840 0.229 0.000 0.745 380 L CB -1.011 41.200 42.059 0.253 0.000 0.894 380 L HN 0.429 nan 8.230 nan 0.000 0.432 381 W N 1.065 122.501 121.300 0.227 0.000 2.317 381 W HA -0.265 4.330 4.660 -0.107 0.000 0.318 381 W C 2.476 179.061 176.519 0.110 0.000 1.227 381 W CA 2.526 60.010 57.345 0.232 0.000 1.269 381 W CB -0.265 29.393 29.460 0.330 0.000 1.155 381 W HN 0.083 nan 8.180 nan 0.000 0.484 382 K N -0.036 120.379 120.400 0.025 0.000 2.097 382 K HA -0.219 4.040 4.320 -0.102 0.000 0.206 382 K C 2.115 178.701 176.600 -0.022 0.000 1.049 382 K CA 1.715 57.941 56.287 -0.101 0.000 0.933 382 K CB -0.384 32.196 32.500 0.132 0.000 0.717 382 K HN 0.119 nan 8.250 nan 0.000 0.442 383 K N 1.147 121.526 120.400 -0.034 0.000 2.097 383 K HA -0.057 4.202 4.320 -0.102 0.000 0.205 383 K C 1.921 178.328 176.600 -0.322 0.000 1.050 383 K CA 0.960 57.197 56.287 -0.085 0.000 0.938 383 K CB 0.056 32.552 32.500 -0.007 0.000 0.718 383 K HN 0.059 nan 8.250 nan 0.000 0.442 384 I N 0.342 120.653 120.570 -0.432 0.000 2.394 384 I HA -0.219 3.889 4.170 -0.102 0.000 0.251 384 I C 1.897 177.764 176.117 -0.417 0.000 1.136 384 I CA 0.635 61.596 61.300 -0.565 0.000 1.425 384 I CB 0.037 37.752 38.000 -0.476 0.000 1.079 384 I HN -0.013 nan 8.210 nan 0.000 0.425 385 V N -0.164 119.473 119.914 -0.462 0.000 2.346 385 V HA -0.242 3.816 4.120 -0.102 0.000 0.244 385 V C 2.061 177.913 176.094 -0.402 0.000 1.037 385 V CA 1.794 63.775 62.300 -0.532 0.000 1.029 385 V CB -0.693 30.582 31.823 -0.913 0.000 0.663 385 V HN 0.287 nan 8.190 nan 0.000 0.454 386 Y N 0.296 120.515 120.300 -0.134 0.000 2.347 386 Y HA 0.038 4.527 4.550 -0.103 0.000 0.294 386 Y C 2.516 178.451 175.900 0.059 0.000 1.117 386 Y CA 1.001 59.114 58.100 0.021 0.000 1.184 386 Y CB 0.003 38.441 38.460 -0.036 0.000 1.047 386 Y HN 0.256 nan 8.280 nan 0.000 0.546 387 E N -0.636 119.592 120.200 0.047 0.000 2.127 387 E HA -0.037 4.251 4.350 -0.102 0.000 0.191 387 E C 1.842 178.332 176.600 -0.183 0.000 0.964 387 E CA 0.984 57.355 56.400 -0.048 0.000 0.832 387 E CB 0.117 29.831 29.700 0.024 0.000 0.790 387 E HN 0.179 nan 8.360 nan 0.000 0.465 388 V N -0.074 119.681 119.914 -0.265 0.000 3.354 388 V HA -0.032 4.027 4.120 -0.102 0.000 0.258 388 V C 0.127 176.163 176.094 -0.096 0.000 1.159 388 V CA 0.554 62.705 62.300 -0.249 0.000 1.125 388 V CB -0.786 30.786 31.823 -0.419 0.000 0.774 388 V HN 0.406 nan 8.190 nan 0.000 0.464 389 H N -0.312 118.654 119.070 -0.173 0.000 2.756 389 H HA -0.138 4.357 4.556 -0.102 0.000 0.315 389 H C -0.342 174.910 175.328 -0.128 0.000 1.210 389 H CA -0.143 55.825 56.048 -0.134 0.000 1.150 389 H CB -1.153 28.578 29.762 -0.051 0.000 1.463 389 H HN 0.335 nan 8.280 nan 0.000 0.427 390 L N 1.096 122.273 121.223 -0.076 0.000 2.385 390 L HA 0.325 4.604 4.340 -0.102 0.000 0.273 390 L C 0.232 177.039 176.870 -0.104 0.000 0.990 390 L CA -0.764 54.023 54.840 -0.087 0.000 0.821 390 L CB 1.940 43.928 42.059 -0.119 0.000 1.279 390 L HN 0.139 nan 8.230 nan 0.000 0.412 391 N N 4.330 123.003 118.700 -0.046 0.000 2.437 391 N HA 0.645 5.323 4.740 -0.102 0.000 0.259 391 N C -1.015 174.530 175.510 0.059 0.000 0.983 391 N CA -0.401 52.651 53.050 0.004 0.000 0.937 391 N CB 0.771 39.269 38.487 0.017 0.000 1.122 391 N HN 0.552 nan 8.380 nan 0.000 0.499 392 I N -0.908 119.780 120.570 0.198 0.000 3.145 392 I HA 0.653 4.762 4.170 -0.102 0.000 0.313 392 I C -0.807 175.557 176.117 0.412 0.000 1.122 392 I CA -1.036 60.408 61.300 0.239 0.000 0.987 392 I CB 2.153 40.272 38.000 0.199 0.000 1.236 392 I HN 0.168 nan 8.210 nan 0.000 0.453 393 S N 3.502 119.371 115.700 0.283 0.000 2.442 393 S HA 0.497 4.906 4.470 -0.102 0.000 0.297 393 S C -2.524 172.075 174.600 -0.002 0.000 1.131 393 S CA -1.154 57.120 58.200 0.124 0.000 1.092 393 S CB 1.044 64.300 63.200 0.094 0.000 0.998 393 S HN 0.511 nan 8.310 nan 0.000 0.478 394 P HA 0.160 nan 4.420 nan 0.000 0.275 394 P C 0.997 177.980 177.300 -0.528 0.000 1.227 394 P CA -0.213 62.422 63.100 -0.775 0.000 0.781 394 P CB 0.712 31.918 31.700 -0.822 0.000 0.906 395 G N 2.871 111.340 108.800 -0.551 0.000 2.475 395 G HA2 -0.311 3.588 3.960 -0.102 0.000 0.220 395 G HA3 -0.311 3.588 3.960 -0.102 0.000 0.220 395 G C 1.576 176.408 174.900 -0.114 0.000 1.125 395 G CA 1.185 46.216 45.100 -0.115 0.000 0.755 395 G HN 0.614 nan 8.290 nan 0.000 0.565 396 S N 1.236 116.800 115.700 -0.227 0.000 2.419 396 S HA -0.169 4.239 4.470 -0.102 0.000 0.233 396 S C 2.441 176.729 174.600 -0.520 0.000 1.016 396 S CA 1.756 59.716 58.200 -0.401 0.000 0.974 396 S CB -0.580 62.349 63.200 -0.452 0.000 0.786 396 S HN 0.658 nan 8.310 nan 0.000 0.492 397 S N 0.306 115.730 115.700 -0.461 0.000 2.447 397 S HA -0.016 4.393 4.470 -0.102 0.000 0.233 397 S C 1.548 175.805 174.600 -0.572 0.000 1.006 397 S CA 0.728 58.637 58.200 -0.486 0.000 0.957 397 S CB -1.074 61.906 63.200 -0.366 0.000 0.773 397 S HN 0.658 nan 8.310 nan 0.000 0.507 398 C N 1.419 120.440 119.300 -0.466 0.000 2.855 398 C HA 0.437 4.836 4.460 -0.102 0.000 0.279 398 C C 0.372 175.071 174.990 -0.485 0.000 1.270 398 C CA -0.546 58.191 59.018 -0.468 0.000 1.702 398 C CB -1.814 25.739 27.740 -0.312 0.000 1.949 398 C HN 0.695 nan 8.230 nan 0.000 0.618 399 H N -1.837 116.983 119.070 -0.417 0.000 2.903 399 H HA -0.211 4.284 4.556 -0.102 0.000 0.285 399 H C 0.598 175.840 175.328 -0.143 0.000 1.231 399 H CA 1.032 56.878 56.048 -0.337 0.000 1.135 399 H CB -1.777 27.703 29.762 -0.470 0.000 1.328 399 H HN 0.607 nan 8.280 nan 0.000 0.388 400 C N 2.439 121.747 119.300 0.013 0.000 2.637 400 C HA 0.193 4.592 4.460 -0.102 0.000 0.418 400 C C 2.429 177.603 174.990 0.306 0.000 1.319 400 C CA 0.632 59.770 59.018 0.199 0.000 1.949 400 C CB 0.086 28.035 27.740 0.349 0.000 2.639 400 C HN 0.709 nan 8.230 nan 0.000 0.594 401 T N 1.360 116.094 114.554 0.300 0.000 3.055 401 T HA 0.040 4.329 4.350 -0.102 0.000 0.265 401 T C 0.382 175.330 174.700 0.414 0.000 1.111 401 T CA 0.857 63.134 62.100 0.295 0.000 1.118 401 T CB -0.148 68.721 68.868 0.002 0.000 0.909 401 T HN 0.856 nan 8.240 nan 0.000 0.501 402 E N 2.627 123.060 120.200 0.389 0.000 2.134 402 E HA 0.362 4.651 4.350 -0.102 0.000 0.278 402 E C -2.750 173.970 176.600 0.199 0.000 0.959 402 E CA -2.649 53.910 56.400 0.265 0.000 0.783 402 E CB 1.447 31.415 29.700 0.447 0.000 1.095 402 E HN 0.268 nan 8.360 nan 0.000 0.399 403 P HA 0.094 nan 4.420 nan 0.000 0.272 403 P C 0.596 177.830 177.300 -0.109 0.000 1.223 403 P CA 0.355 63.218 63.100 -0.396 0.000 0.784 403 P CB 0.811 32.075 31.700 -0.727 0.000 0.923 404 G N -0.534 108.199 108.800 -0.111 0.000 2.201 404 G HA2 -0.171 3.728 3.960 -0.102 0.000 0.212 404 G HA3 -0.171 3.728 3.960 -0.102 0.000 0.212 404 G C -0.634 174.102 174.900 -0.273 0.000 0.994 404 G CA -0.741 44.270 45.100 -0.149 0.000 0.644 404 G HN 0.358 nan 8.290 nan 0.000 0.508 405 W N -0.001 121.098 121.300 -0.335 0.000 2.449 405 W HA 0.796 5.407 4.660 -0.083 0.000 0.331 405 W C -0.106 175.873 176.519 -0.901 0.000 1.119 405 W CA -0.683 56.271 57.345 -0.651 0.000 1.240 405 W CB 0.714 29.529 29.460 -1.076 0.000 1.251 405 W HN -0.006 nan 8.180 nan 0.000 0.576 406 F N 1.204 120.834 119.950 -0.533 0.000 2.588 406 F HA 0.447 4.911 4.527 -0.105 0.000 0.310 406 F C 0.047 175.763 175.800 -0.140 0.000 1.082 406 F CA -1.554 56.281 58.000 -0.275 0.000 0.929 406 F CB 1.841 40.780 39.000 -0.102 0.000 1.254 406 F HN 0.104 nan 8.300 nan 0.000 0.455 407 R N 1.927 122.590 120.500 0.272 0.000 2.265 407 R HA 0.755 5.034 4.340 -0.102 0.000 0.319 407 R C -1.868 174.580 176.300 0.247 0.000 1.006 407 R CA -0.389 55.919 56.100 0.346 0.000 0.880 407 R CB 1.194 31.631 30.300 0.228 0.000 1.077 407 R HN 0.561 nan 8.270 nan 0.000 0.454 408 V N 5.202 125.270 119.914 0.256 0.000 2.407 408 V HA 0.263 4.322 4.120 -0.102 0.000 0.291 408 V C -0.256 175.955 176.094 0.195 0.000 1.018 408 V CA -0.892 61.525 62.300 0.195 0.000 0.842 408 V CB 1.492 33.423 31.823 0.179 0.000 0.996 408 V HN 0.878 nan 8.190 nan 0.000 0.426 409 C N 5.789 125.148 119.300 0.098 0.000 2.435 409 C HA 0.410 4.809 4.460 -0.102 0.000 0.375 409 C C 1.222 176.195 174.990 -0.029 0.000 1.281 409 C CA -0.466 58.537 59.018 -0.025 0.000 1.963 409 C CB -0.397 27.323 27.740 -0.033 0.000 2.490 409 C HN 0.932 nan 8.230 nan 0.000 0.557 410 F N -0.049 119.917 119.950 0.028 0.000 2.682 410 F HA 0.480 4.945 4.527 -0.103 0.000 0.308 410 F C 1.267 177.040 175.800 -0.045 0.000 1.093 410 F CA 0.054 58.043 58.000 -0.019 0.000 1.244 410 F CB -0.558 38.422 39.000 -0.034 0.000 1.052 410 F HN 0.433 nan 8.300 nan 0.000 0.573 411 A N 0.296 123.098 122.820 -0.029 0.000 2.430 411 A HA 0.253 4.512 4.320 -0.102 0.000 0.243 411 A C 0.846 178.425 177.584 -0.008 0.000 1.254 411 A CA 0.029 52.089 52.037 0.038 0.000 0.914 411 A CB -0.657 18.326 19.000 -0.028 0.000 0.998 411 A HN 0.271 nan 8.150 nan 0.000 0.515 412 N N 0.706 119.392 118.700 -0.023 0.000 2.453 412 N HA 0.396 5.075 4.740 -0.102 0.000 0.270 412 N C -0.807 174.708 175.510 0.007 0.000 1.195 412 N CA -0.162 52.880 53.050 -0.013 0.000 0.902 412 N CB -0.246 38.208 38.487 -0.056 0.000 1.186 412 N HN 0.309 nan 8.380 nan 0.000 0.510 413 L N -4.034 117.208 121.223 0.031 0.000 3.020 413 L HA 0.679 4.958 4.340 -0.102 0.000 0.273 413 L C -3.027 173.872 176.870 0.048 0.000 1.018 413 L CA -2.122 52.744 54.840 0.044 0.000 0.950 413 L CB -0.359 41.717 42.059 0.028 0.000 1.510 413 L HN -0.216 nan 8.230 nan 0.000 0.404 414 P HA 0.286 nan 4.420 nan 0.000 0.272 414 P C 0.455 177.773 177.300 0.030 0.000 1.223 414 P CA -0.259 62.867 63.100 0.044 0.000 0.784 414 P CB 0.845 32.575 31.700 0.051 0.000 0.923 415 E N 2.205 122.417 120.200 0.019 0.000 2.085 415 E HA -0.273 4.016 4.350 -0.102 0.000 0.194 415 E C 1.766 178.367 176.600 0.003 0.000 0.994 415 E CA 1.162 57.565 56.400 0.004 0.000 0.801 415 E CB 0.042 29.737 29.700 -0.008 0.000 0.743 415 E HN 0.365 nan 8.360 nan 0.000 0.453 416 R N -0.418 120.091 120.500 0.014 0.000 2.096 416 R HA -0.073 4.206 4.340 -0.102 0.000 0.235 416 R C 2.073 178.379 176.300 0.009 0.000 1.127 416 R CA 1.769 57.879 56.100 0.017 0.000 0.968 416 R CB -0.732 29.588 30.300 0.034 0.000 0.861 416 R HN 0.004 nan 8.270 nan 0.000 0.440 417 T N 1.785 116.346 114.554 0.012 0.000 2.904 417 T HA -0.039 4.249 4.350 -0.102 0.000 0.267 417 T C 1.691 176.342 174.700 -0.083 0.000 1.059 417 T CA 0.971 63.042 62.100 -0.047 0.000 1.137 417 T CB -0.123 68.744 68.868 -0.001 0.000 0.879 417 T HN 0.149 nan 8.240 nan 0.000 0.467 418 L N 1.839 123.042 121.223 -0.034 0.000 2.056 418 L HA -0.045 4.234 4.340 -0.102 0.000 0.207 418 L C 1.776 178.625 176.870 -0.034 0.000 1.078 418 L CA 1.862 56.687 54.840 -0.026 0.000 0.749 418 L CB -0.747 41.313 42.059 0.002 0.000 0.901 418 L HN 0.053 nan 8.230 nan 0.000 0.433 419 D N -0.381 120.002 120.400 -0.028 0.000 2.117 419 D HA -0.193 4.385 4.640 -0.102 0.000 0.197 419 D C 2.210 178.491 176.300 -0.032 0.000 0.987 419 D CA 1.551 55.536 54.000 -0.024 0.000 0.829 419 D CB -0.182 40.609 40.800 -0.015 0.000 0.961 419 D HN 0.348 nan 8.370 nan 0.000 0.460 420 L N 1.220 122.414 121.223 -0.049 0.000 2.046 420 L HA -0.100 4.179 4.340 -0.102 0.000 0.208 420 L C 2.189 179.010 176.870 -0.082 0.000 1.077 420 L CA 1.767 56.568 54.840 -0.065 0.000 0.747 420 L CB -0.775 41.217 42.059 -0.110 0.000 0.896 420 L HN -0.043 nan 8.230 nan 0.000 0.432 421 A N -0.887 121.871 122.820 -0.104 0.000 1.902 421 A HA -0.205 4.053 4.320 -0.102 0.000 0.217 421 A C 2.188 179.741 177.584 -0.053 0.000 1.181 421 A CA 2.073 54.055 52.037 -0.092 0.000 0.623 421 A CB -0.514 18.433 19.000 -0.090 0.000 0.818 421 A HN 0.487 nan 8.150 nan 0.000 0.443 422 M N -0.506 119.072 119.600 -0.036 0.000 2.229 422 M HA -0.134 4.285 4.480 -0.102 0.000 0.264 422 M C 2.201 178.497 176.300 -0.007 0.000 1.063 422 M CA 1.308 56.596 55.300 -0.019 0.000 1.114 422 M CB -1.385 31.206 32.600 -0.015 0.000 1.387 422 M HN 0.551 nan 8.290 nan 0.000 0.420 423 Q N -0.156 119.638 119.800 -0.010 0.000 2.046 423 Q HA -0.107 4.172 4.340 -0.102 0.000 0.200 423 Q C 2.159 178.168 176.000 0.015 0.000 0.975 423 Q CA 1.144 56.949 55.803 0.003 0.000 0.836 423 Q CB -0.181 28.558 28.738 0.001 0.000 0.896 423 Q HN 0.520 nan 8.270 nan 0.000 0.428 424 R N 0.252 120.753 120.500 0.002 0.000 2.120 424 R HA -0.115 4.163 4.340 -0.102 0.000 0.234 424 R C 2.222 178.549 176.300 0.046 0.000 1.123 424 R CA 0.795 56.903 56.100 0.013 0.000 0.975 424 R CB -0.339 29.947 30.300 -0.024 0.000 0.866 424 R HN 0.175 nan 8.270 nan 0.000 0.446 425 L N 1.560 122.799 121.223 0.027 0.000 2.109 425 L HA -0.083 4.196 4.340 -0.102 0.000 0.207 425 L C 2.257 179.208 176.870 0.135 0.000 1.086 425 L CA 1.752 56.629 54.840 0.062 0.000 0.760 425 L CB -0.301 41.758 42.059 -0.000 0.000 0.910 425 L HN -0.052 nan 8.230 nan 0.000 0.437 426 K N -0.742 119.706 120.400 0.080 0.000 2.097 426 K HA -0.110 4.148 4.320 -0.102 0.000 0.205 426 K C 1.982 178.638 176.600 0.093 0.000 1.050 426 K CA 1.115 57.446 56.287 0.073 0.000 0.938 426 K CB -0.152 32.371 32.500 0.039 0.000 0.718 426 K HN 0.428 nan 8.250 nan 0.000 0.442 427 A N 0.613 123.494 122.820 0.102 0.000 1.933 427 A HA -0.157 4.102 4.320 -0.102 0.000 0.218 427 A C 1.924 179.608 177.584 0.166 0.000 1.175 427 A CA 1.161 53.259 52.037 0.102 0.000 0.628 427 A CB -0.693 18.359 19.000 0.087 0.000 0.814 427 A HN 0.502 nan 8.150 nan 0.000 0.444 428 F N 1.315 121.310 119.950 0.076 0.000 2.084 428 F HA -0.177 4.285 4.527 -0.109 0.000 0.296 428 F C 2.353 178.298 175.800 0.240 0.000 1.111 428 F CA 2.250 60.339 58.000 0.149 0.000 1.224 428 F CB -0.513 38.528 39.000 0.069 0.000 0.991 428 F HN 0.119 nan 8.300 nan 0.000 0.471 429 V N -0.870 119.091 119.914 0.079 0.000 2.427 429 V HA -0.024 4.035 4.120 -0.102 0.000 0.248 429 V C 2.338 178.477 176.094 0.075 0.000 1.051 429 V CA 1.849 64.165 62.300 0.026 0.000 1.048 429 V CB -2.025 29.808 31.823 0.017 0.000 0.666 429 V HN 0.398 nan 8.190 nan 0.000 0.456 430 G N -0.198 108.631 108.800 0.049 0.000 2.744 430 G HA2 -0.102 3.796 3.960 -0.102 0.000 0.211 430 G HA3 -0.102 3.796 3.960 -0.102 0.000 0.211 430 G C 1.384 176.271 174.900 -0.022 0.000 1.143 430 G CA 0.768 45.883 45.100 0.024 0.000 0.788 430 G HN 0.607 nan 8.290 nan 0.000 0.534 431 E N -0.419 119.755 120.200 -0.045 0.000 2.127 431 E HA 0.099 4.388 4.350 -0.102 0.000 0.191 431 E C 1.563 177.941 176.600 -0.369 0.000 0.964 431 E CA 0.612 56.901 56.400 -0.185 0.000 0.832 431 E CB -0.109 29.495 29.700 -0.159 0.000 0.790 431 E HN 0.462 nan 8.360 nan 0.000 0.465 432 Y N -1.598 118.531 120.300 -0.285 0.000 2.464 432 Y HA 0.249 4.735 4.550 -0.106 0.000 0.288 432 Y C 0.289 175.918 175.900 -0.451 0.000 1.133 432 Y CA 0.103 57.947 58.100 -0.426 0.000 1.223 432 Y CB 0.051 38.095 38.460 -0.692 0.000 1.187 432 Y HN -0.092 nan 8.280 nan 0.000 0.539 433 Y N 0.000 120.267 120.300 -0.054 0.000 2.660 433 Y HA 0.000 4.501 4.550 -0.082 0.000 0.201 433 Y CA 0.000 58.075 58.100 -0.042 0.000 1.940 433 Y CB 0.000 38.433 38.460 -0.046 0.000 1.050 433 Y HN 0.000 nan 8.280 nan 0.000 0.758