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 2iv0_1_A DATA FIRST_RESID 1 DATA SEQUENCE MQYEKVKPPE NGEKIRYENG KLIVPDNPII PYFEGDGIGK DVVPAAIRVL DATA SEQUENCE DAAADKIGKE VVWFQVYAGE DAYKLYGNYL PDDTLNAIKE FRVALKGPLT DATA SEQUENCE TPVGGGYRSL NVTIRQVLDL YANVRPVYYL KGVPSPIKHP EKVNFVIFRE DATA SEQUENCE NTEDVYAGIE WPRGSEEALK LIRFLKNEFG VTIREDSGIG IKPISEFATK DATA SEQUENCE RLVRMAIRYA IENNRKSVTL VHKGNIMKYT EGAFRDWGYE VAKQEFGEYC DATA SEQUENCE ITEDELWDKY GGKQPEGKIV VKDRIADNMF QQILTRTDEY DVIALPNLNG DATA SEQUENCE DYLSDAAAAL IGGLGIAPGS NIGDGIGVFE PVHGSAPKYA GQNKVNPTAE DATA SEQUENCE ILTGALMFEY IGWKDASEMI KKAVEMTISS GIVTYDIHRH MGGTKVGTRE DATA SEQUENCE FAEAVVENLQ SL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.151 176.300 -0.249 0.000 1.140 1 M CA 0.000 55.207 55.300 -0.155 0.000 0.988 1 M CB 0.000 32.493 32.600 -0.178 0.000 1.302 2 Q N 2.158 121.761 119.800 -0.328 0.000 2.214 2 Q HA 0.739 5.084 4.340 0.008 0.000 0.251 2 Q C -1.917 173.774 176.000 -0.515 0.000 0.936 2 Q CA -0.227 55.419 55.803 -0.261 0.000 0.894 2 Q CB 1.502 nan 28.738 nan 0.000 1.252 2 Q HN 0.730 nan 8.270 nan 0.000 0.448 3 Y N 0.688 121.071 120.300 0.138 0.000 2.326 3 Y HA 0.269 4.823 4.550 0.007 0.000 0.329 3 Y C 0.995 176.996 175.900 0.167 0.000 0.973 3 Y CA -0.778 57.434 58.100 0.186 0.000 1.162 3 Y CB 2.468 41.084 38.460 0.261 0.000 1.147 3 Y HN 0.939 nan 8.280 nan 0.000 0.456 4 E N 2.081 122.460 120.200 0.297 0.000 2.006 4 E HA -0.133 4.221 4.350 0.008 0.000 0.192 4 E C 0.920 177.652 176.600 0.220 0.000 0.993 4 E CA 1.320 57.859 56.400 0.232 0.000 0.808 4 E CB 0.177 30.017 29.700 0.233 0.000 0.764 4 E HN 0.440 nan 8.360 nan 0.000 0.449 5 K N -0.153 120.422 120.400 0.293 0.000 2.414 5 K HA 0.136 4.461 4.320 0.008 0.000 0.204 5 K C -0.977 175.731 176.600 0.180 0.000 1.026 5 K CA -0.171 56.172 56.287 0.094 0.000 1.108 5 K CB 1.305 33.614 32.500 -0.319 0.000 0.855 5 K HN 0.001 nan 8.250 nan 0.000 0.517 6 V N -4.336 115.770 119.914 0.320 0.000 3.159 6 V HA 0.600 4.725 4.120 0.008 0.000 0.308 6 V C -1.179 175.091 176.094 0.294 0.000 1.190 6 V CA -1.097 61.402 62.300 0.332 0.000 1.037 6 V CB 1.998 34.070 31.823 0.414 0.000 1.060 6 V HN -0.304 nan 8.190 nan 0.000 0.437 7 K N 1.956 122.483 120.400 0.212 0.000 2.422 7 K HA 0.806 5.131 4.320 0.008 0.000 0.251 7 K C -3.047 173.326 176.600 -0.378 0.000 0.933 7 K CA -1.454 54.835 56.287 0.003 0.000 0.798 7 K CB 2.610 35.127 32.500 0.028 0.000 1.238 7 K HN 0.936 nan 8.250 nan 0.000 0.428 8 P HA 0.406 nan 4.420 nan 0.000 0.276 8 P C -2.645 174.272 177.300 -0.637 0.000 1.244 8 P CA -1.512 60.768 63.100 -1.366 0.000 0.801 8 P CB -0.367 30.855 31.700 -0.798 0.000 1.006 9 P HA 0.107 nan 4.420 nan 0.000 0.272 9 P C 0.954 178.159 177.300 -0.158 0.000 1.223 9 P CA -0.147 62.797 63.100 -0.261 0.000 0.784 9 P CB 0.491 32.071 31.700 -0.200 0.000 0.923 10 E N 1.974 122.126 120.200 -0.079 0.000 2.106 10 E HA -0.182 4.172 4.350 0.008 0.000 0.192 10 E C 0.481 177.065 176.600 -0.026 0.000 0.984 10 E CA 1.189 57.566 56.400 -0.039 0.000 0.806 10 E CB -0.013 29.678 29.700 -0.016 0.000 0.750 10 E HN 0.466 nan 8.360 nan 0.000 0.458 11 N N -0.485 118.197 118.700 -0.030 0.000 2.200 11 N HA 0.120 4.864 4.740 0.008 0.000 0.224 11 N C 0.358 175.858 175.510 -0.017 0.000 1.179 11 N CA 0.106 53.147 53.050 -0.015 0.000 0.877 11 N CB 0.943 39.424 38.487 -0.009 0.000 1.072 11 N HN 0.015 nan 8.380 nan 0.000 0.519 12 G N -0.334 108.450 108.800 -0.026 0.000 3.075 12 G HA2 0.523 4.487 3.960 0.008 0.000 0.253 12 G HA3 0.523 4.487 3.960 0.008 0.000 0.253 12 G C -1.046 173.869 174.900 0.026 0.000 1.353 12 G CA -0.366 44.724 45.100 -0.016 0.000 1.051 12 G HN 0.057 nan 8.290 nan 0.000 0.553 13 E N -0.359 119.869 120.200 0.048 0.000 2.317 13 E HA 0.271 4.626 4.350 0.008 0.000 0.270 13 E C -0.811 175.878 176.600 0.148 0.000 0.885 13 E CA -0.676 55.777 56.400 0.089 0.000 0.760 13 E CB 2.554 32.293 29.700 0.065 0.000 1.227 13 E HN 0.240 nan 8.360 nan 0.000 0.434 14 K N 1.925 122.445 120.400 0.201 0.000 2.412 14 K HA 0.109 4.433 4.320 0.008 0.000 0.281 14 K C 0.379 177.078 176.600 0.164 0.000 1.027 14 K CA -0.170 56.274 56.287 0.261 0.000 0.989 14 K CB 0.259 32.853 32.500 0.158 0.000 0.935 14 K HN 0.370 nan 8.250 nan 0.000 0.475 15 I N 1.009 121.679 120.570 0.168 0.000 2.692 15 I HA 0.091 4.265 4.170 0.008 0.000 0.284 15 I C -0.278 175.906 176.117 0.112 0.000 1.159 15 I CA 0.256 61.618 61.300 0.103 0.000 1.423 15 I CB 0.707 38.739 38.000 0.055 0.000 1.380 15 I HN 0.424 nan 8.210 nan 0.000 0.580 16 R N 4.488 125.047 120.500 0.098 0.000 2.664 16 R HA 0.472 4.816 4.340 0.008 0.000 0.286 16 R C -1.641 174.768 176.300 0.181 0.000 0.967 16 R CA -0.689 55.480 56.100 0.115 0.000 0.933 16 R CB 1.381 31.726 30.300 0.075 0.000 1.146 16 R HN 0.697 nan 8.270 nan 0.000 0.468 17 Y N 1.738 122.055 120.300 0.028 0.000 2.447 17 Y HA 0.402 4.957 4.550 0.008 0.000 0.325 17 Y C -1.188 174.728 175.900 0.027 0.000 0.976 17 Y CA -0.663 57.455 58.100 0.030 0.000 1.280 17 Y CB 0.974 39.465 38.460 0.051 0.000 1.104 17 Y HN 0.575 nan 8.280 nan 0.000 0.486 18 E N 4.607 124.660 120.200 -0.245 0.000 2.314 18 E HA 0.347 4.702 4.350 0.008 0.000 0.272 18 E C -0.382 176.056 176.600 -0.269 0.000 0.884 18 E CA -0.834 55.417 56.400 -0.247 0.000 0.753 18 E CB 1.785 31.427 29.700 -0.096 0.000 1.213 18 E HN 0.856 nan 8.360 nan 0.000 0.432 19 N N 0.713 119.269 118.700 -0.240 0.000 1.149 19 N HA -0.299 4.445 4.740 0.008 0.000 0.118 19 N C 0.699 176.035 175.510 -0.290 0.000 0.756 19 N CA 1.080 54.013 53.050 -0.195 0.000 0.861 19 N CB -0.665 37.764 38.487 -0.098 0.000 1.099 19 N HN 0.643 nan 8.380 nan 0.000 0.597 20 G N 0.797 109.520 108.800 -0.127 0.000 3.327 20 G HA2 0.154 4.119 3.960 0.008 0.000 0.240 20 G HA3 0.154 4.119 3.960 0.008 0.000 0.240 20 G C -0.222 174.729 174.900 0.085 0.000 1.222 20 G CA 0.351 45.437 45.100 -0.023 0.000 0.871 20 G HN 0.242 nan 8.290 nan 0.000 0.525 21 K N 0.275 120.649 120.400 -0.042 0.000 2.378 21 K HA 0.388 4.712 4.320 0.008 0.000 0.252 21 K C -1.132 175.596 176.600 0.212 0.000 0.931 21 K CA -1.053 55.293 56.287 0.098 0.000 0.794 21 K CB 2.419 34.931 32.500 0.020 0.000 1.181 21 K HN -0.121 nan 8.250 nan 0.000 0.425 22 L N 3.343 124.676 121.223 0.183 0.000 2.453 22 L HA 0.253 4.597 4.340 0.008 0.000 0.272 22 L C -0.096 176.792 176.870 0.030 0.000 1.182 22 L CA 0.361 55.256 54.840 0.091 0.000 0.858 22 L CB 0.029 42.028 42.059 -0.099 0.000 1.120 22 L HN 0.503 nan 8.230 nan 0.000 0.474 23 I N 4.193 124.788 120.570 0.042 0.000 2.411 23 I HA 0.324 4.499 4.170 0.008 0.000 0.284 23 I C -0.750 175.381 176.117 0.023 0.000 1.012 23 I CA -0.479 60.837 61.300 0.026 0.000 1.119 23 I CB 1.701 39.720 38.000 0.032 0.000 1.261 23 I HN 0.107 nan 8.210 nan 0.000 0.448 24 V N 8.041 127.961 119.914 0.010 0.000 2.378 24 V HA 0.437 4.562 4.120 0.008 0.000 0.288 24 V C -1.720 174.419 176.094 0.074 0.000 1.016 24 V CA -1.269 61.032 62.300 0.003 0.000 0.840 24 V CB 1.299 33.068 31.823 -0.090 0.000 0.994 24 V HN 0.587 nan 8.190 nan 0.000 0.431 25 P HA 0.326 nan 4.420 nan 0.000 0.279 25 P C 0.112 177.507 177.300 0.157 0.000 1.282 25 P CA -0.322 62.834 63.100 0.093 0.000 0.788 25 P CB 1.224 32.963 31.700 0.066 0.000 1.139 26 D N -0.729 119.719 120.400 0.081 0.000 2.178 26 D HA -0.106 4.538 4.640 0.008 0.000 0.201 26 D C 0.724 177.047 176.300 0.039 0.000 0.980 26 D CA 1.343 55.355 54.000 0.019 0.000 0.842 26 D CB -0.396 40.372 40.800 -0.053 0.000 0.948 26 D HN 0.467 nan 8.370 nan 0.000 0.472 27 N N 0.178 118.906 118.700 0.047 0.000 2.806 27 N HA 0.151 4.895 4.740 0.008 0.000 0.315 27 N C -2.898 172.624 175.510 0.020 0.000 1.738 27 N CA -1.547 51.516 53.050 0.021 0.000 0.993 27 N CB 0.475 38.958 38.487 -0.008 0.000 1.324 27 N HN -0.003 nan 8.380 nan 0.000 0.493 28 P HA 0.095 nan 4.420 nan 0.000 0.268 28 P C 0.441 177.695 177.300 -0.076 0.000 1.204 28 P CA -0.396 62.702 63.100 -0.002 0.000 0.768 28 P CB 1.006 32.674 31.700 -0.054 0.000 0.842 29 I N 3.355 123.890 120.570 -0.059 0.000 2.416 29 I HA 0.393 4.567 4.170 0.008 0.000 0.288 29 I C -0.271 175.756 176.117 -0.150 0.000 1.051 29 I CA -0.460 60.724 61.300 -0.192 0.000 1.375 29 I CB 0.128 37.886 38.000 -0.404 0.000 1.407 29 I HN 0.231 nan 8.210 nan 0.000 0.516 30 I N 7.908 128.393 120.570 -0.142 0.000 2.447 30 I HA 0.740 4.915 4.170 0.008 0.000 0.287 30 I C -2.781 173.483 176.117 0.245 0.000 1.023 30 I CA -2.489 58.819 61.300 0.013 0.000 1.083 30 I CB 1.695 39.657 38.000 -0.064 0.000 1.245 30 I HN 0.403 nan 8.210 nan 0.000 0.434 31 P HA 0.332 nan 4.420 nan 0.000 0.274 31 P C -1.767 175.738 177.300 0.343 0.000 1.231 31 P CA 0.156 63.395 63.100 0.231 0.000 0.790 31 P CB 0.310 32.093 31.700 0.138 0.000 0.951 32 Y N 0.206 120.552 120.300 0.076 0.000 2.670 32 Y HA 0.805 5.360 4.550 0.008 0.000 0.334 32 Y C -1.703 174.175 175.900 -0.036 0.000 1.185 32 Y CA -1.660 56.421 58.100 -0.031 0.000 1.053 32 Y CB 1.184 39.630 38.460 -0.022 0.000 1.298 32 Y HN 0.367 nan 8.280 nan 0.000 0.459 33 F N -1.056 118.812 119.950 -0.137 0.000 2.608 33 F HA 0.597 5.130 4.527 0.009 0.000 0.309 33 F C 0.153 175.945 175.800 -0.014 0.000 1.103 33 F CA -1.156 56.678 58.000 -0.278 0.000 0.954 33 F CB 1.793 40.636 39.000 -0.261 0.000 1.267 33 F HN 0.659 nan 8.300 nan 0.000 0.444 34 E N 2.075 122.395 120.200 0.198 0.000 2.110 34 E HA 0.223 4.578 4.350 0.008 0.000 0.193 34 E C 1.285 178.019 176.600 0.223 0.000 0.988 34 E CA 1.082 57.596 56.400 0.189 0.000 0.804 34 E CB -0.292 29.512 29.700 0.173 0.000 0.745 34 E HN 1.111 nan 8.360 nan 0.000 0.458 35 G N 1.602 110.615 108.800 0.355 0.000 2.642 35 G HA2 -0.214 3.750 3.960 0.008 0.000 0.231 35 G HA3 -0.214 3.750 3.960 0.008 0.000 0.231 35 G C -0.831 174.193 174.900 0.207 0.000 1.338 35 G CA -0.170 45.127 45.100 0.329 0.000 0.883 35 G HN 0.145 nan 8.290 nan 0.000 0.570 36 D N 1.018 121.520 120.400 0.170 0.000 2.312 36 D HA 0.514 5.159 4.640 0.008 0.000 0.248 36 D C 1.536 177.904 176.300 0.113 0.000 1.086 36 D CA 1.178 55.256 54.000 0.131 0.000 0.948 36 D CB 0.670 41.534 40.800 0.108 0.000 1.162 36 D HN 1.571 nan 8.370 nan 0.000 0.446 37 G N 1.097 109.953 108.800 0.093 0.000 2.723 37 G HA2 -0.403 3.561 3.960 0.008 0.000 0.356 37 G HA3 -0.403 3.561 3.960 0.008 0.000 0.356 37 G C 1.286 176.237 174.900 0.085 0.000 1.164 37 G CA 0.722 45.870 45.100 0.080 0.000 0.939 37 G HN 0.500 nan 8.290 nan 0.000 0.570 38 I N 3.032 123.654 120.570 0.086 0.000 2.399 38 I HA -0.042 4.133 4.170 0.008 0.000 0.254 38 I C 3.057 179.224 176.117 0.084 0.000 1.146 38 I CA 1.957 63.300 61.300 0.072 0.000 1.412 38 I CB -1.152 36.867 38.000 0.031 0.000 1.076 38 I HN 0.576 nan 8.210 nan 0.000 0.432 39 G N -0.007 108.858 108.800 0.109 0.000 2.469 39 G HA2 -0.288 3.676 3.960 0.008 0.000 0.219 39 G HA3 -0.288 3.676 3.960 0.008 0.000 0.219 39 G C 1.766 176.720 174.900 0.090 0.000 1.150 39 G CA 0.618 45.784 45.100 0.109 0.000 0.763 39 G HN 0.359 nan 8.290 nan 0.000 0.561 40 K N 0.197 120.651 120.400 0.090 0.000 2.360 40 K HA -0.052 4.272 4.320 0.008 0.000 0.201 40 K C 1.648 178.279 176.600 0.052 0.000 1.046 40 K CA 1.140 57.474 56.287 0.078 0.000 0.945 40 K CB 0.032 32.579 32.500 0.079 0.000 0.750 40 K HN 0.320 nan 8.250 nan 0.000 0.464 41 D N -0.044 120.383 120.400 0.044 0.000 2.355 41 D HA -0.095 4.550 4.640 0.008 0.000 0.233 41 D C 2.038 178.347 176.300 0.015 0.000 0.997 41 D CA 1.198 55.213 54.000 0.026 0.000 0.920 41 D CB -0.179 40.634 40.800 0.022 0.000 1.063 41 D HN 0.069 nan 8.370 nan 0.000 0.465 42 V N -0.138 119.790 119.914 0.024 0.000 2.548 42 V HA -0.094 4.030 4.120 0.008 0.000 0.249 42 V C 2.389 178.474 176.094 -0.015 0.000 1.055 42 V CA 0.832 63.145 62.300 0.021 0.000 1.065 42 V CB -0.819 31.040 31.823 0.061 0.000 0.681 42 V HN -0.058 nan 8.190 nan 0.000 0.462 43 V N 0.970 120.870 119.914 -0.023 0.000 2.261 43 V HA -0.087 4.038 4.120 0.008 0.000 0.246 43 V C 0.577 176.560 176.094 -0.185 0.000 1.047 43 V CA 2.818 65.062 62.300 -0.093 0.000 1.015 43 V CB -1.848 29.953 31.823 -0.037 0.000 0.642 43 V HN 0.491 nan 8.190 nan 0.000 0.446 44 P HA -0.198 nan 4.420 nan 0.000 0.216 44 P C 1.671 178.878 177.300 -0.155 0.000 1.153 44 P CA 2.228 65.223 63.100 -0.175 0.000 0.858 44 P CB -0.184 31.469 31.700 -0.079 0.000 0.789 45 A N 0.031 122.801 122.820 -0.085 0.000 1.877 45 A HA -0.131 4.194 4.320 0.008 0.000 0.216 45 A C 2.368 179.910 177.584 -0.070 0.000 1.186 45 A CA 2.278 54.288 52.037 -0.046 0.000 0.620 45 A CB -1.637 17.373 19.000 0.016 0.000 0.822 45 A HN 0.202 nan 8.150 nan 0.000 0.443 46 A N -0.410 122.353 122.820 -0.095 0.000 1.933 46 A HA -0.084 4.241 4.320 0.008 0.000 0.218 46 A C 2.104 179.585 177.584 -0.172 0.000 1.175 46 A CA 1.543 53.511 52.037 -0.114 0.000 0.628 46 A CB -0.585 18.341 19.000 -0.123 0.000 0.814 46 A HN 0.492 nan 8.150 nan 0.000 0.444 47 I N -0.990 119.397 120.570 -0.304 0.000 2.226 47 I HA -0.253 3.922 4.170 0.008 0.000 0.245 47 I C 2.758 178.785 176.117 -0.149 0.000 1.100 47 I CA 1.222 62.271 61.300 -0.419 0.000 1.374 47 I CB -0.215 37.256 38.000 -0.881 0.000 1.057 47 I HN 0.278 nan 8.210 nan 0.000 0.413 48 R N -0.131 120.297 120.500 -0.121 0.000 2.091 48 R HA -0.149 4.196 4.340 0.008 0.000 0.238 48 R C 2.253 178.548 176.300 -0.008 0.000 1.136 48 R CA 1.531 57.604 56.100 -0.045 0.000 0.959 48 R CB -0.381 29.891 30.300 -0.046 0.000 0.856 48 R HN 0.235 nan 8.270 nan 0.000 0.437 49 V N 0.887 120.785 119.914 -0.027 0.000 2.379 49 V HA -0.195 3.929 4.120 0.008 0.000 0.245 49 V C 2.100 178.207 176.094 0.022 0.000 1.044 49 V CA 1.235 63.524 62.300 -0.018 0.000 1.036 49 V CB -0.336 31.459 31.823 -0.046 0.000 0.664 49 V HN 0.192 nan 8.190 nan 0.000 0.453 50 L N 0.061 121.301 121.223 0.029 0.000 2.093 50 L HA -0.118 4.227 4.340 0.008 0.000 0.208 50 L C 2.179 179.255 176.870 0.344 0.000 1.085 50 L CA 1.700 56.608 54.840 0.113 0.000 0.755 50 L CB -1.368 40.737 42.059 0.077 0.000 0.904 50 L HN 0.328 nan 8.230 nan 0.000 0.435 51 D N -0.303 120.278 120.400 0.301 0.000 2.149 51 D HA -0.157 4.488 4.640 0.008 0.000 0.198 51 D C 2.201 178.592 176.300 0.153 0.000 0.990 51 D CA 1.509 55.664 54.000 0.259 0.000 0.839 51 D CB 0.020 40.946 40.800 0.211 0.000 0.948 51 D HN 0.316 nan 8.370 nan 0.000 0.460 52 A N 0.696 123.582 122.820 0.109 0.000 1.929 52 A HA 0.104 4.429 4.320 0.008 0.000 0.216 52 A C 2.272 179.897 177.584 0.067 0.000 1.176 52 A CA 1.753 53.827 52.037 0.061 0.000 0.628 52 A CB -0.513 18.505 19.000 0.029 0.000 0.816 52 A HN 0.221 nan 8.150 nan 0.000 0.444 53 A N 0.028 122.924 122.820 0.127 0.000 1.873 53 A HA 0.207 4.531 4.320 0.008 0.000 0.215 53 A C 2.498 180.159 177.584 0.127 0.000 1.186 53 A CA 1.948 54.083 52.037 0.163 0.000 0.616 53 A CB -1.000 18.169 19.000 0.282 0.000 0.823 53 A HN 0.961 nan 8.150 nan 0.000 0.442 54 A N -0.094 122.828 122.820 0.171 0.000 1.877 54 A HA -0.199 4.126 4.320 0.008 0.000 0.216 54 A C 1.843 179.313 177.584 -0.189 0.000 1.186 54 A CA 2.170 54.130 52.037 -0.129 0.000 0.620 54 A CB -0.817 18.150 19.000 -0.055 0.000 0.822 54 A HN 0.536 nan 8.150 nan 0.000 0.443 55 D N -0.640 119.719 120.400 -0.069 0.000 2.104 55 D HA -0.211 4.433 4.640 0.008 0.000 0.194 55 D C 1.978 178.224 176.300 -0.089 0.000 0.994 55 D CA 1.783 55.738 54.000 -0.075 0.000 0.830 55 D CB -0.102 40.684 40.800 -0.024 0.000 0.959 55 D HN 0.504 nan 8.370 nan 0.000 0.452 56 K N -0.426 119.936 120.400 -0.063 0.000 2.152 56 K HA -0.105 4.220 4.320 0.008 0.000 0.206 56 K C 1.616 178.155 176.600 -0.101 0.000 1.048 56 K CA 0.975 57.224 56.287 -0.063 0.000 0.933 56 K CB -0.136 32.344 32.500 -0.035 0.000 0.721 56 K HN 0.198 nan 8.250 nan 0.000 0.447 57 I N -0.036 120.441 120.570 -0.156 0.000 3.883 57 I HA 0.175 4.349 4.170 0.008 0.000 0.326 57 I C 0.589 176.540 176.117 -0.277 0.000 1.283 57 I CA 0.780 61.949 61.300 -0.218 0.000 1.161 57 I CB 0.887 38.725 38.000 -0.269 0.000 1.012 57 I HN 0.472 nan 8.210 nan 0.000 0.421 58 G N 0.689 109.341 108.800 -0.246 0.000 2.142 58 G HA2 -0.202 3.763 3.960 0.008 0.000 0.225 58 G HA3 -0.202 3.763 3.960 0.008 0.000 0.225 58 G C 0.245 174.965 174.900 -0.299 0.000 1.015 58 G CA -0.222 44.742 45.100 -0.226 0.000 0.716 58 G HN 0.239 nan 8.290 nan 0.000 0.508 59 K N -0.323 119.834 120.400 -0.405 0.000 2.395 59 K HA 0.761 5.086 4.320 0.008 0.000 0.245 59 K C -0.575 175.839 176.600 -0.310 0.000 1.017 59 K CA -0.826 55.151 56.287 -0.516 0.000 0.852 59 K CB 2.555 34.321 32.500 -1.224 0.000 1.311 59 K HN 0.266 nan 8.250 nan 0.000 0.452 60 E N 1.024 121.103 120.200 -0.200 0.000 2.304 60 E HA 0.220 4.574 4.350 0.008 0.000 0.277 60 E C -1.513 175.059 176.600 -0.046 0.000 0.898 60 E CA -0.591 55.756 56.400 -0.088 0.000 0.764 60 E CB 2.123 31.786 29.700 -0.062 0.000 1.216 60 E HN 0.196 nan 8.360 nan 0.000 0.419 61 V N 4.182 124.026 119.914 -0.117 0.000 2.432 61 V HA 0.173 4.298 4.120 0.008 0.000 0.271 61 V C 0.017 175.820 176.094 -0.484 0.000 1.046 61 V CA -0.587 61.464 62.300 -0.415 0.000 0.945 61 V CB 1.196 32.469 31.823 -0.916 0.000 0.992 61 V HN 0.457 nan 8.190 nan 0.000 0.471 62 V N 5.101 124.819 119.914 -0.328 0.000 2.339 62 V HA 0.232 4.357 4.120 0.008 0.000 0.261 62 V C -0.128 175.861 176.094 -0.175 0.000 1.058 62 V CA -0.772 61.416 62.300 -0.186 0.000 0.897 62 V CB -0.325 31.437 31.823 -0.102 0.000 1.052 62 V HN 0.853 nan 8.190 nan 0.000 0.480 63 W N 4.333 125.682 121.300 0.081 0.000 2.181 63 W HA 0.388 5.052 4.660 0.006 0.000 0.335 63 W C -0.054 176.630 176.519 0.274 0.000 1.310 63 W CA -0.279 57.170 57.345 0.172 0.000 1.226 63 W CB 0.483 30.009 29.460 0.110 0.000 1.155 63 W HN 0.488 nan 8.180 nan 0.000 0.565 64 F N 4.089 124.264 119.950 0.375 0.000 2.500 64 F HA 0.274 4.807 4.527 0.009 0.000 0.349 64 F C -0.335 175.450 175.800 -0.025 0.000 1.127 64 F CA -2.184 55.861 58.000 0.074 0.000 0.998 64 F CB 0.754 39.644 39.000 -0.184 0.000 1.237 64 F HN 0.343 nan 8.300 nan 0.000 0.439 65 Q N 5.809 125.627 119.800 0.029 0.000 2.293 65 Q HA 0.600 4.945 4.340 0.008 0.000 0.263 65 Q C -0.977 174.510 176.000 -0.855 0.000 1.002 65 Q CA -0.299 55.114 55.803 -0.650 0.000 0.910 65 Q CB 1.084 29.590 28.738 -0.387 0.000 1.185 65 Q HN 0.650 nan 8.270 nan 0.000 0.401 66 V N 1.195 120.499 119.914 -1.017 0.000 3.156 66 V HA 0.680 4.805 4.120 0.008 0.000 0.311 66 V C -1.475 174.047 176.094 -0.953 0.000 1.208 66 V CA -0.995 60.784 62.300 -0.868 0.000 1.063 66 V CB 1.477 32.968 31.823 -0.553 0.000 1.098 66 V HN 0.716 nan 8.190 nan 0.000 0.452 67 Y N -0.325 119.874 120.300 -0.168 0.000 2.512 67 Y HA 0.950 5.503 4.550 0.006 0.000 0.348 67 Y C 0.194 175.859 175.900 -0.391 0.000 0.990 67 Y CA -0.145 57.862 58.100 -0.154 0.000 1.033 67 Y CB 2.339 40.814 38.460 0.025 0.000 1.259 67 Y HN 1.172 nan 8.280 nan 0.000 0.461 68 A N 0.963 123.645 122.820 -0.230 0.000 2.606 68 A HA 0.841 5.166 4.320 0.008 0.000 0.293 68 A C 0.013 177.595 177.584 -0.004 0.000 1.082 68 A CA -0.237 51.621 52.037 -0.298 0.000 0.685 68 A CB 1.074 19.575 19.000 -0.831 0.000 1.284 68 A HN 1.739 nan 8.150 nan 0.000 0.408 69 G N 0.388 109.256 108.800 0.114 0.000 2.593 69 G HA2 -0.167 3.797 3.960 0.008 0.000 0.237 69 G HA3 -0.167 3.797 3.960 0.008 0.000 0.237 69 G C 0.590 175.655 174.900 0.274 0.000 1.312 69 G CA 0.786 46.054 45.100 0.281 0.000 0.896 69 G HN 1.040 nan 8.290 nan 0.000 0.574 70 E N -0.472 119.882 120.200 0.255 0.000 2.048 70 E HA -0.201 4.153 4.350 0.008 0.000 0.202 70 E C 2.077 178.737 176.600 0.100 0.000 1.021 70 E CA 1.810 58.304 56.400 0.157 0.000 0.825 70 E CB -0.223 29.564 29.700 0.145 0.000 0.756 70 E HN 0.514 nan 8.360 nan 0.000 0.454 71 D N -0.263 120.200 120.400 0.106 0.000 2.157 71 D HA -0.238 4.406 4.640 0.008 0.000 0.191 71 D C 1.752 178.068 176.300 0.026 0.000 1.004 71 D CA 1.658 55.699 54.000 0.068 0.000 0.854 71 D CB -0.331 40.562 40.800 0.154 0.000 0.936 71 D HN 0.266 nan 8.370 nan 0.000 0.446 72 A N -0.337 122.545 122.820 0.103 0.000 1.845 72 A HA -0.227 4.097 4.320 0.008 0.000 0.215 72 A C 2.219 179.847 177.584 0.074 0.000 1.195 72 A CA 1.679 53.804 52.037 0.146 0.000 0.616 72 A CB -1.352 17.690 19.000 0.069 0.000 0.832 72 A HN 0.381 nan 8.150 nan 0.000 0.443 73 Y N 1.195 121.357 120.300 -0.230 0.000 2.062 73 Y HA -0.336 4.218 4.550 0.007 0.000 0.276 73 Y C 2.296 178.075 175.900 -0.203 0.000 1.189 73 Y CA 2.606 60.475 58.100 -0.385 0.000 1.130 73 Y CB -0.277 37.669 38.460 -0.857 0.000 0.959 73 Y HN 0.343 nan 8.280 nan 0.000 0.499 74 K N -0.734 119.584 120.400 -0.137 0.000 2.026 74 K HA -0.180 4.145 4.320 0.008 0.000 0.208 74 K C 1.955 178.417 176.600 -0.230 0.000 1.048 74 K CA 1.607 57.777 56.287 -0.195 0.000 0.929 74 K CB -0.506 31.940 32.500 -0.090 0.000 0.713 74 K HN 0.288 nan 8.250 nan 0.000 0.439 75 L N -0.453 120.648 121.223 -0.204 0.000 2.156 75 L HA -0.096 4.249 4.340 0.008 0.000 0.208 75 L C 1.197 177.843 176.870 -0.374 0.000 1.095 75 L CA 1.733 56.379 54.840 -0.323 0.000 0.770 75 L CB 0.041 41.829 42.059 -0.452 0.000 0.914 75 L HN 0.158 nan 8.230 nan 0.000 0.439 76 Y N -1.936 118.241 120.300 -0.205 0.000 2.448 76 Y HA 0.393 4.949 4.550 0.010 0.000 0.257 76 Y C 1.714 177.496 175.900 -0.196 0.000 1.089 76 Y CA 0.167 58.174 58.100 -0.156 0.000 1.245 76 Y CB 0.463 38.866 38.460 -0.096 0.000 1.282 76 Y HN 0.057 nan 8.280 nan 0.000 0.529 77 G N 1.457 110.139 108.800 -0.197 0.000 2.155 77 G HA2 -0.322 3.642 3.960 0.008 0.000 0.257 77 G HA3 -0.322 3.642 3.960 0.008 0.000 0.257 77 G C -0.158 174.684 174.900 -0.096 0.000 0.983 77 G CA 0.508 45.405 45.100 -0.338 0.000 0.676 77 G HN 0.337 nan 8.290 nan 0.000 0.528 78 N N -0.874 117.824 118.700 -0.005 0.000 2.480 78 N HA 0.400 5.144 4.740 0.008 0.000 0.289 78 N C 0.911 176.446 175.510 0.042 0.000 1.073 78 N CA -0.813 52.272 53.050 0.058 0.000 0.885 78 N CB 0.787 39.282 38.487 0.014 0.000 1.421 78 N HN 0.023 nan 8.380 nan 0.000 0.503 79 Y N 1.922 122.295 120.300 0.123 0.000 2.365 79 Y HA -0.079 4.477 4.550 0.010 0.000 0.287 79 Y C 1.006 176.867 175.900 -0.065 0.000 1.162 79 Y CA 0.908 59.034 58.100 0.043 0.000 1.260 79 Y CB 0.369 38.830 38.460 0.001 0.000 0.976 79 Y HN 0.401 nan 8.280 nan 0.000 0.548 80 L N 1.518 122.764 121.223 0.039 0.000 2.475 80 L HA 0.419 4.764 4.340 0.008 0.000 0.253 80 L C -2.656 174.119 176.870 -0.158 0.000 1.483 80 L CA -2.527 52.256 54.840 -0.096 0.000 0.869 80 L CB 0.386 42.411 42.059 -0.056 0.000 1.086 80 L HN -0.262 nan 8.230 nan 0.000 0.514 81 P HA 0.156 nan 4.420 nan 0.000 0.273 81 P C -0.021 177.122 177.300 -0.262 0.000 1.250 81 P CA -0.044 62.814 63.100 -0.403 0.000 0.793 81 P CB 1.168 32.217 31.700 -1.085 0.000 1.011 82 D N 0.309 120.602 120.400 -0.179 0.000 2.117 82 D HA -0.156 4.488 4.640 0.008 0.000 0.197 82 D C 1.277 177.560 176.300 -0.028 0.000 0.987 82 D CA 1.621 55.578 54.000 -0.072 0.000 0.829 82 D CB -0.621 40.163 40.800 -0.027 0.000 0.961 82 D HN 0.507 nan 8.370 nan 0.000 0.460 83 D N -0.113 120.285 120.400 -0.004 0.000 2.178 83 D HA -0.123 4.522 4.640 0.008 0.000 0.201 83 D C 1.741 178.145 176.300 0.173 0.000 0.980 83 D CA 1.129 55.259 54.000 0.217 0.000 0.842 83 D CB -0.896 40.245 40.800 0.568 0.000 0.948 83 D HN 0.074 nan 8.370 nan 0.000 0.472 84 T N 0.735 115.266 114.554 -0.039 0.000 2.674 84 T HA -0.049 4.306 4.350 0.008 0.000 0.265 84 T C 2.032 176.745 174.700 0.021 0.000 1.039 84 T CA 0.917 62.968 62.100 -0.082 0.000 1.150 84 T CB -0.430 68.280 68.868 -0.262 0.000 0.864 84 T HN 0.141 nan 8.240 nan 0.000 0.427 85 L N 1.149 122.373 121.223 0.001 0.000 2.046 85 L HA -0.125 4.219 4.340 0.008 0.000 0.208 85 L C 2.615 179.539 176.870 0.089 0.000 1.077 85 L CA 1.026 55.889 54.840 0.040 0.000 0.747 85 L CB -0.645 41.419 42.059 0.008 0.000 0.896 85 L HN 0.205 nan 8.230 nan 0.000 0.432 86 N N 0.254 119.017 118.700 0.105 0.000 2.142 86 N HA -0.130 4.615 4.740 0.008 0.000 0.186 86 N C 1.919 177.599 175.510 0.284 0.000 1.023 86 N CA 1.490 54.619 53.050 0.131 0.000 0.852 86 N CB -0.319 38.189 38.487 0.034 0.000 0.998 86 N HN 0.315 nan 8.380 nan 0.000 0.424 87 A N 1.440 124.528 122.820 0.447 0.000 1.883 87 A HA -0.121 4.204 4.320 0.008 0.000 0.217 87 A C 2.305 180.173 177.584 0.473 0.000 1.186 87 A CA 1.170 53.570 52.037 0.605 0.000 0.624 87 A CB -0.791 18.399 19.000 0.316 0.000 0.822 87 A HN 0.247 nan 8.150 nan 0.000 0.444 88 I N -0.841 119.905 120.570 0.293 0.000 2.286 88 I HA -0.256 3.918 4.170 0.008 0.000 0.248 88 I C 2.512 178.741 176.117 0.186 0.000 1.115 88 I CA 1.700 63.145 61.300 0.241 0.000 1.392 88 I CB -0.281 37.825 38.000 0.177 0.000 1.065 88 I HN 0.272 nan 8.210 nan 0.000 0.418 89 K N 0.584 121.069 120.400 0.141 0.000 2.057 89 K HA -0.230 4.095 4.320 0.008 0.000 0.207 89 K C 2.159 178.786 176.600 0.044 0.000 1.049 89 K CA 1.608 57.945 56.287 0.084 0.000 0.931 89 K CB -0.019 32.517 32.500 0.061 0.000 0.714 89 K HN 0.303 nan 8.250 nan 0.000 0.440 90 E N -0.625 119.574 120.200 -0.002 0.000 2.028 90 E HA -0.122 4.232 4.350 0.008 0.000 0.190 90 E C 1.319 177.748 176.600 -0.286 0.000 0.984 90 E CA 1.074 57.333 56.400 -0.235 0.000 0.800 90 E CB 0.089 29.502 29.700 -0.478 0.000 0.758 90 E HN 0.205 nan 8.360 nan 0.000 0.448 91 F N -0.410 119.655 119.950 0.192 0.000 2.776 91 F HA 0.282 4.813 4.527 0.007 0.000 0.300 91 F C 1.288 177.171 175.800 0.139 0.000 1.116 91 F CA 0.066 58.166 58.000 0.167 0.000 1.375 91 F CB 0.594 39.718 39.000 0.208 0.000 1.109 91 F HN -0.057 nan 8.300 nan 0.000 0.585 92 R N -0.728 119.924 120.500 0.253 0.000 3.590 92 R HA -0.135 4.210 4.340 0.008 0.000 0.463 92 R C -0.606 175.821 176.300 0.212 0.000 0.657 92 R CA 1.134 57.343 56.100 0.182 0.000 1.512 92 R CB -2.329 28.061 30.300 0.149 0.000 2.154 92 R HN 0.220 nan 8.270 nan 0.000 0.409 93 V N -3.756 116.310 119.914 0.253 0.000 2.817 93 V HA 0.940 5.065 4.120 0.008 0.000 0.303 93 V C -0.728 175.529 176.094 0.271 0.000 1.151 93 V CA -0.434 62.039 62.300 0.287 0.000 0.929 93 V CB 2.392 34.392 31.823 0.295 0.000 1.030 93 V HN 0.410 nan 8.190 nan 0.000 0.427 94 A N 3.954 126.945 122.820 0.284 0.000 2.549 94 A HA 0.942 5.266 4.320 0.008 0.000 0.297 94 A C -1.579 176.141 177.584 0.225 0.000 1.061 94 A CA -0.697 51.480 52.037 0.233 0.000 0.690 94 A CB 2.008 21.112 19.000 0.174 0.000 1.287 94 A HN 1.823 nan 8.150 nan 0.000 0.402 95 L N 1.781 123.110 121.223 0.177 0.000 2.322 95 L HA 0.804 5.149 4.340 0.008 0.000 0.281 95 L C -0.160 176.594 176.870 -0.193 0.000 1.014 95 L CA -0.145 54.744 54.840 0.082 0.000 0.815 95 L CB 1.366 43.515 42.059 0.151 0.000 1.247 95 L HN 0.778 nan 8.230 nan 0.000 0.421 96 K N 3.231 123.441 120.400 -0.316 0.000 2.426 96 K HA 0.868 5.193 4.320 0.008 0.000 0.251 96 K C -0.304 176.100 176.600 -0.327 0.000 0.941 96 K CA -0.749 55.127 56.287 -0.685 0.000 0.808 96 K CB 1.688 33.560 32.500 -1.046 0.000 1.265 96 K HN 0.660 nan 8.250 nan 0.000 0.432 97 G N 1.337 109.994 108.800 -0.238 0.000 2.588 97 G HA2 0.424 4.389 3.960 0.008 0.000 0.281 97 G HA3 0.424 4.389 3.960 0.008 0.000 0.281 97 G C -2.379 172.542 174.900 0.035 0.000 1.236 97 G CA -1.430 43.652 45.100 -0.030 0.000 0.969 97 G HN 0.549 nan 8.290 nan 0.000 0.504 98 P HA 0.361 nan 4.420 nan 0.000 0.276 98 P C -0.917 176.470 177.300 0.145 0.000 1.252 98 P CA -0.289 62.872 63.100 0.102 0.000 0.802 98 P CB 1.389 33.170 31.700 0.135 0.000 1.035 99 L N 0.818 122.111 121.223 0.117 0.000 2.406 99 L HA 0.329 4.674 4.340 0.008 0.000 0.272 99 L C 0.378 177.271 176.870 0.038 0.000 0.980 99 L CA -0.678 54.223 54.840 0.102 0.000 0.831 99 L CB 1.903 44.029 42.059 0.111 0.000 1.253 99 L HN 0.320 nan 8.230 nan 0.000 0.406 100 T N -1.565 113.002 114.554 0.021 0.000 2.799 100 T HA 0.070 4.424 4.350 0.008 0.000 0.296 100 T C 0.469 175.103 174.700 -0.109 0.000 0.947 100 T CA -0.406 61.673 62.100 -0.036 0.000 1.141 100 T CB 0.817 69.665 68.868 -0.034 0.000 0.891 100 T HN 0.595 nan 8.240 nan 0.000 0.533 101 T N 5.100 119.571 114.554 -0.140 0.000 2.817 101 T HA 0.289 4.643 4.350 0.008 0.000 0.295 101 T C -1.994 172.533 174.700 -0.288 0.000 0.958 101 T CA -1.332 60.637 62.100 -0.218 0.000 1.157 101 T CB -0.399 68.345 68.868 -0.206 0.000 0.898 101 T HN 0.539 nan 8.240 nan 0.000 0.536 102 P HA 0.264 nan 4.420 nan 0.000 0.276 102 P C -0.404 176.704 177.300 -0.320 0.000 1.261 102 P CA -0.743 62.077 63.100 -0.468 0.000 0.800 102 P CB 0.263 31.372 31.700 -0.984 0.000 1.066 103 V N 0.708 120.480 119.914 -0.237 0.000 2.841 103 V HA 0.110 4.235 4.120 0.008 0.000 0.252 103 V C 1.329 177.333 176.094 -0.149 0.000 0.951 103 V CA 1.684 63.887 62.300 -0.163 0.000 1.170 103 V CB -2.045 29.711 31.823 -0.111 0.000 0.936 103 V HN 1.080 nan 8.190 nan 0.000 0.473 104 G N 2.831 111.533 108.800 -0.163 0.000 2.756 104 G HA2 0.269 4.234 3.960 0.008 0.000 0.272 104 G HA3 0.269 4.234 3.960 0.008 0.000 0.272 104 G C 0.055 174.885 174.900 -0.117 0.000 1.128 104 G CA -0.101 44.922 45.100 -0.128 0.000 1.145 104 G HN 1.533 nan 8.290 nan 0.000 0.545 105 G N -1.328 107.383 108.800 -0.149 0.000 2.649 105 G HA2 0.707 4.671 3.960 0.008 0.000 0.290 105 G HA3 0.707 4.671 3.960 0.008 0.000 0.290 105 G C 0.857 175.698 174.900 -0.098 0.000 1.426 105 G CA 0.330 45.365 45.100 -0.110 0.000 0.794 105 G HN 1.573 nan 8.290 nan 0.000 0.483 106 G N -0.985 107.790 108.800 -0.042 0.000 3.307 106 G HA2 0.206 4.171 3.960 0.008 0.000 0.200 106 G HA3 0.206 4.171 3.960 0.008 0.000 0.200 106 G C 0.701 175.646 174.900 0.075 0.000 1.148 106 G CA 1.881 46.991 45.100 0.017 0.000 1.387 106 G HN 1.000 nan 8.290 nan 0.000 0.527 107 Y N -2.193 118.065 120.300 -0.070 0.000 2.875 107 Y HA -0.279 4.267 4.550 -0.007 0.000 0.467 107 Y C 1.624 177.485 175.900 -0.065 0.000 1.193 107 Y CA 1.359 59.416 58.100 -0.072 0.000 2.549 107 Y CB -0.817 37.595 38.460 -0.081 0.000 1.215 107 Y HN 0.231 nan 8.280 nan 0.000 0.626 108 R N 1.896 122.468 120.500 0.120 0.000 4.263 108 R HA 0.206 4.551 4.340 0.008 0.000 0.248 108 R C 1.456 177.757 176.300 0.002 0.000 1.796 108 R CA 0.597 56.716 56.100 0.032 0.000 1.518 108 R CB -0.201 30.128 30.300 0.048 0.000 1.342 108 R HN 0.498 nan 8.270 nan 0.000 0.706 109 S N -0.163 115.519 115.700 -0.030 0.000 2.368 109 S HA -0.153 4.322 4.470 0.008 0.000 0.225 109 S C 1.832 176.416 174.600 -0.026 0.000 1.030 109 S CA 0.798 58.982 58.200 -0.027 0.000 0.999 109 S CB -0.100 63.068 63.200 -0.052 0.000 0.844 109 S HN 0.473 nan 8.310 nan 0.000 0.459 110 L N 1.932 123.129 121.223 -0.043 0.000 2.012 110 L HA -0.162 4.182 4.340 0.008 0.000 0.210 110 L C 2.720 179.596 176.870 0.010 0.000 1.073 110 L CA 1.725 56.552 54.840 -0.022 0.000 0.748 110 L CB -0.972 41.071 42.059 -0.027 0.000 0.891 110 L HN 0.435 nan 8.230 nan 0.000 0.431 111 N N -0.209 118.503 118.700 0.020 0.000 2.223 111 N HA -0.132 4.613 4.740 0.008 0.000 0.185 111 N C 1.872 177.395 175.510 0.022 0.000 1.016 111 N CA 1.301 54.371 53.050 0.033 0.000 0.863 111 N CB -0.315 38.189 38.487 0.028 0.000 0.983 111 N HN 0.196 nan 8.380 nan 0.000 0.429 112 V N 1.722 121.647 119.914 0.018 0.000 2.307 112 V HA -0.196 3.928 4.120 0.008 0.000 0.245 112 V C 2.374 178.481 176.094 0.021 0.000 1.045 112 V CA 2.050 64.362 62.300 0.021 0.000 1.024 112 V CB -1.144 30.693 31.823 0.023 0.000 0.651 112 V HN 0.382 nan 8.190 nan 0.000 0.449 113 T N 0.111 114.673 114.554 0.014 0.000 2.788 113 T HA -0.124 4.230 4.350 0.008 0.000 0.268 113 T C 1.871 176.583 174.700 0.020 0.000 1.044 113 T CA 1.600 63.709 62.100 0.015 0.000 1.139 113 T CB -0.360 68.512 68.868 0.008 0.000 0.867 113 T HN 0.324 nan 8.240 nan 0.000 0.454 114 I N 1.905 122.488 120.570 0.022 0.000 2.118 114 I HA -0.273 3.901 4.170 0.008 0.000 0.241 114 I C 2.996 179.128 176.117 0.026 0.000 1.070 114 I CA 1.777 63.096 61.300 0.032 0.000 1.327 114 I CB -0.409 37.626 38.000 0.058 0.000 1.034 114 I HN 0.293 nan 8.210 nan 0.000 0.405 115 R N 1.065 121.576 120.500 0.019 0.000 2.189 115 R HA -0.138 4.206 4.340 0.008 0.000 0.218 115 R C 1.816 178.138 176.300 0.037 0.000 1.074 115 R CA 1.123 57.231 56.100 0.013 0.000 0.991 115 R CB -0.289 30.010 30.300 -0.002 0.000 0.883 115 R HN 0.467 nan 8.270 nan 0.000 0.457 116 Q N 0.960 120.784 119.800 0.040 0.000 2.033 116 Q HA -0.078 4.266 4.340 0.008 0.000 0.196 116 Q C 2.369 178.398 176.000 0.049 0.000 0.970 116 Q CA 1.814 57.646 55.803 0.049 0.000 0.828 116 Q CB -0.018 28.745 28.738 0.042 0.000 0.895 116 Q HN 0.318 nan 8.270 nan 0.000 0.440 117 V N -0.717 119.220 119.914 0.038 0.000 2.490 117 V HA -0.156 3.969 4.120 0.008 0.000 0.250 117 V C 1.593 177.714 176.094 0.045 0.000 1.061 117 V CA 1.607 63.929 62.300 0.037 0.000 1.064 117 V CB -0.342 31.498 31.823 0.027 0.000 0.670 117 V HN 0.305 nan 8.190 nan 0.000 0.461 118 L N 0.484 121.734 121.223 0.045 0.000 2.592 118 L HA 0.297 4.642 4.340 0.008 0.000 0.227 118 L C 1.040 177.947 176.870 0.061 0.000 1.127 118 L CA 0.806 55.674 54.840 0.046 0.000 0.884 118 L CB -0.520 41.559 42.059 0.034 0.000 1.065 118 L HN 0.517 nan 8.230 nan 0.000 0.457 119 D N 1.350 121.798 120.400 0.080 0.000 2.697 119 D HA -0.218 4.427 4.640 0.008 0.000 0.235 119 D C -0.370 176.017 176.300 0.145 0.000 1.167 119 D CA 0.554 54.634 54.000 0.134 0.000 0.656 119 D CB -0.878 40.024 40.800 0.170 0.000 1.025 119 D HN 0.196 nan 8.370 nan 0.000 0.419 120 L N 1.769 123.020 121.223 0.047 0.000 2.302 120 L HA 0.211 4.556 4.340 0.008 0.000 0.285 120 L C 1.348 178.184 176.870 -0.057 0.000 1.090 120 L CA -0.798 53.995 54.840 -0.079 0.000 0.866 120 L CB -0.074 41.907 42.059 -0.130 0.000 1.244 120 L HN 0.245 nan 8.230 nan 0.000 0.435 121 Y N 1.048 121.343 120.300 -0.008 0.000 2.500 121 Y HA 0.536 5.089 4.550 0.005 0.000 0.270 121 Y C 0.812 176.715 175.900 0.005 0.000 1.134 121 Y CA -0.556 57.548 58.100 0.006 0.000 1.293 121 Y CB 0.003 38.468 38.460 0.009 0.000 1.063 121 Y HN 0.397 nan 8.280 nan 0.000 0.534 122 A N 2.027 124.663 122.820 -0.308 0.000 2.318 122 A HA 0.364 4.688 4.320 0.008 0.000 0.324 122 A C -0.817 176.667 177.584 -0.166 0.000 1.170 122 A CA -0.860 51.095 52.037 -0.137 0.000 0.810 122 A CB 0.479 19.399 19.000 -0.134 0.000 1.198 122 A HN 0.449 nan 8.150 nan 0.000 0.484 123 N N 2.458 121.093 118.700 -0.109 0.000 2.419 123 N HA 0.448 5.193 4.740 0.008 0.000 0.277 123 N C -1.579 173.792 175.510 -0.232 0.000 1.006 123 N CA -0.085 52.869 53.050 -0.161 0.000 0.923 123 N CB 1.502 39.931 38.487 -0.097 0.000 1.140 123 N HN 0.259 nan 8.380 nan 0.000 0.488 124 V N 4.353 124.070 119.914 -0.329 0.000 2.487 124 V HA 0.533 4.658 4.120 0.008 0.000 0.298 124 V C -0.058 175.822 176.094 -0.357 0.000 1.028 124 V CA -0.757 61.233 62.300 -0.517 0.000 0.860 124 V CB 1.542 32.961 31.823 -0.673 0.000 0.991 124 V HN 0.606 nan 8.190 nan 0.000 0.427 125 R N 4.881 125.182 120.500 -0.333 0.000 2.473 125 R HA 0.419 4.764 4.340 0.008 0.000 0.303 125 R C -2.976 173.241 176.300 -0.139 0.000 1.002 125 R CA -1.691 54.298 56.100 -0.184 0.000 0.884 125 R CB 2.915 33.140 30.300 -0.125 0.000 1.173 125 R HN 0.417 nan 8.270 nan 0.000 0.464 126 P HA 0.182 nan 4.420 nan 0.000 0.279 126 P C -0.596 176.669 177.300 -0.059 0.000 1.239 126 P CA -0.390 62.734 63.100 0.040 0.000 0.789 126 P CB 1.214 33.047 31.700 0.221 0.000 0.933 127 V N 5.018 124.927 119.914 -0.009 0.000 2.482 127 V HA 0.530 4.655 4.120 0.008 0.000 0.295 127 V C -0.714 175.308 176.094 -0.119 0.000 1.026 127 V CA -0.437 61.775 62.300 -0.146 0.000 0.856 127 V CB 0.655 32.467 31.823 -0.018 0.000 1.001 127 V HN 0.608 nan 8.190 nan 0.000 0.424 128 Y N 2.716 122.983 120.300 -0.056 0.000 2.624 128 Y HA 0.722 5.277 4.550 0.008 0.000 0.334 128 Y C -1.449 174.474 175.900 0.038 0.000 1.155 128 Y CA -1.930 56.146 58.100 -0.040 0.000 1.046 128 Y CB 1.286 39.736 38.460 -0.017 0.000 1.316 128 Y HN 0.551 nan 8.280 nan 0.000 0.457 129 Y N 2.243 122.631 120.300 0.146 0.000 2.323 129 Y HA 0.703 5.257 4.550 0.007 0.000 0.331 129 Y C -1.543 174.442 175.900 0.142 0.000 1.092 129 Y CA -1.063 57.081 58.100 0.074 0.000 1.150 129 Y CB 1.056 39.528 38.460 0.020 0.000 1.200 129 Y HN 0.672 nan 8.280 nan 0.000 0.472 130 L N 6.843 127.663 121.223 -0.670 0.000 2.325 130 L HA 0.373 4.717 4.340 0.008 0.000 0.281 130 L C -0.436 175.846 176.870 -0.979 0.000 1.004 130 L CA -1.053 53.472 54.840 -0.524 0.000 0.823 130 L CB 1.493 43.428 42.059 -0.206 0.000 1.236 130 L HN 0.649 nan 8.230 nan 0.000 0.415 131 K N 2.177 122.223 120.400 -0.591 0.000 2.436 131 K HA 0.363 4.688 4.320 0.008 0.000 0.275 131 K C 0.944 177.417 176.600 -0.211 0.000 0.999 131 K CA 0.739 56.822 56.287 -0.341 0.000 0.980 131 K CB 0.364 32.827 32.500 -0.063 0.000 0.919 131 K HN 0.875 nan 8.250 nan 0.000 0.484 132 G N 0.715 109.481 108.800 -0.057 0.000 2.194 132 G HA2 -0.228 3.737 3.960 0.008 0.000 0.236 132 G HA3 -0.228 3.737 3.960 0.008 0.000 0.236 132 G C -0.017 174.884 174.900 0.003 0.000 0.987 132 G CA -0.222 44.878 45.100 -0.001 0.000 0.635 132 G HN 0.411 nan 8.290 nan 0.000 0.520 133 V N 3.654 123.548 119.914 -0.033 0.000 2.465 133 V HA 0.476 4.601 4.120 0.008 0.000 0.279 133 V C -1.257 174.924 176.094 0.146 0.000 1.045 133 V CA -1.427 60.890 62.300 0.028 0.000 0.938 133 V CB 1.446 33.255 31.823 -0.023 0.000 0.986 133 V HN 0.230 nan 8.190 nan 0.000 0.467 134 P HA 0.108 nan 4.420 nan 0.000 0.266 134 P C -0.548 176.745 177.300 -0.011 0.000 1.195 134 P CA 0.229 63.323 63.100 -0.010 0.000 0.768 134 P CB 0.948 32.557 31.700 -0.151 0.000 0.838 135 S N 2.360 118.033 115.700 -0.045 0.000 2.548 135 S HA 0.552 5.027 4.470 0.008 0.000 0.276 135 S C -2.080 172.452 174.600 -0.114 0.000 1.129 135 S CA -1.284 56.864 58.200 -0.086 0.000 0.931 135 S CB 1.205 64.306 63.200 -0.165 0.000 1.068 135 S HN 0.185 nan 8.310 nan 0.000 0.480 136 P HA 0.228 nan 4.420 nan 0.000 0.236 136 P C 0.420 177.663 177.300 -0.094 0.000 1.177 136 P CA 0.199 63.244 63.100 -0.091 0.000 0.773 136 P CB -0.296 31.361 31.700 -0.072 0.000 0.878 137 I N -4.339 116.158 120.570 -0.121 0.000 3.076 137 I HA 0.387 4.561 4.170 0.008 0.000 0.313 137 I C 0.993 176.985 176.117 -0.208 0.000 1.053 137 I CA -1.109 60.110 61.300 -0.136 0.000 1.048 137 I CB 1.927 39.863 38.000 -0.107 0.000 1.264 137 I HN -0.436 nan 8.210 nan 0.000 0.498 138 K N -0.184 120.043 120.400 -0.288 0.000 2.137 138 K HA 0.101 4.426 4.320 0.008 0.000 0.202 138 K C 0.016 176.210 176.600 -0.677 0.000 1.052 138 K CA 0.908 56.892 56.287 -0.505 0.000 0.961 138 K CB 0.007 32.109 32.500 -0.664 0.000 0.741 138 K HN 0.582 nan 8.250 nan 0.000 0.452 139 H N 0.060 119.077 119.070 -0.088 0.000 2.336 139 H HA 0.158 4.719 4.556 0.008 0.000 0.230 139 H C -2.133 173.093 175.328 -0.169 0.000 1.426 139 H CA -1.927 54.062 56.048 -0.099 0.000 1.359 139 H CB 0.751 30.489 29.762 -0.040 0.000 1.555 139 H HN 0.101 nan 8.280 nan 0.000 0.512 140 P HA -0.165 nan 4.420 nan 0.000 0.218 140 P C 1.503 178.620 177.300 -0.305 0.000 1.149 140 P CA 1.051 63.871 63.100 -0.467 0.000 0.817 140 P CB 0.465 31.477 31.700 -1.145 0.000 0.785 141 E N 0.790 120.885 120.200 -0.176 0.000 2.401 141 E HA -0.174 4.181 4.350 0.008 0.000 0.199 141 E C 1.183 177.825 176.600 0.070 0.000 1.023 141 E CA 0.992 57.457 56.400 0.108 0.000 0.859 141 E CB -0.488 29.319 29.700 0.178 0.000 0.780 141 E HN 0.116 nan 8.360 nan 0.000 0.523 142 K N 0.782 121.199 120.400 0.030 0.000 2.366 142 K HA 0.108 4.432 4.320 0.008 0.000 0.198 142 K C 0.485 177.077 176.600 -0.013 0.000 1.044 142 K CA 0.118 56.425 56.287 0.034 0.000 0.973 142 K CB -0.052 32.483 32.500 0.058 0.000 0.767 142 K HN 0.046 nan 8.250 nan 0.000 0.475 143 V N 2.958 122.817 119.914 -0.093 0.000 2.415 143 V HA 0.067 4.191 4.120 0.008 0.000 0.267 143 V C 0.209 176.117 176.094 -0.310 0.000 1.042 143 V CA -0.115 61.969 62.300 -0.358 0.000 1.000 143 V CB -0.202 31.407 31.823 -0.357 0.000 1.015 143 V HN 0.288 nan 8.190 nan 0.000 0.478 144 N N 5.417 123.861 118.700 -0.427 0.000 2.751 144 N HA 0.397 5.142 4.740 0.008 0.000 0.238 144 N C -1.273 174.257 175.510 0.034 0.000 1.351 144 N CA -0.326 52.660 53.050 -0.108 0.000 0.751 144 N CB 0.615 39.125 38.487 0.038 0.000 1.342 144 N HN 0.511 nan 8.380 nan 0.000 0.540 145 F N 0.856 120.901 119.950 0.158 0.000 2.556 145 F HA 0.597 5.129 4.527 0.007 0.000 0.327 145 F C 0.230 176.091 175.800 0.102 0.000 1.059 145 F CA -1.420 56.655 58.000 0.126 0.000 0.953 145 F CB 1.859 40.907 39.000 0.080 0.000 1.227 145 F HN -0.110 nan 8.300 nan 0.000 0.478 146 V N 3.603 123.690 119.914 0.289 0.000 2.483 146 V HA 0.585 4.709 4.120 0.008 0.000 0.297 146 V C -0.969 175.144 176.094 0.032 0.000 1.027 146 V CA -0.539 61.798 62.300 0.063 0.000 0.855 146 V CB 1.347 33.100 31.823 -0.117 0.000 0.995 146 V HN 0.690 nan 8.190 nan 0.000 0.424 147 I N 6.662 127.177 120.570 -0.093 0.000 2.321 147 I HA 0.429 4.604 4.170 0.008 0.000 0.291 147 I C -0.901 175.073 176.117 -0.238 0.000 0.998 147 I CA -0.198 61.064 61.300 -0.063 0.000 1.227 147 I CB 1.434 39.405 38.000 -0.048 0.000 1.368 147 I HN 0.552 nan 8.210 nan 0.000 0.466 148 F N 5.741 125.648 119.950 -0.071 0.000 2.332 148 F HA 0.394 4.925 4.527 0.007 0.000 0.368 148 F C 0.596 176.379 175.800 -0.028 0.000 1.110 148 F CA -0.705 57.260 58.000 -0.060 0.000 1.087 148 F CB 0.958 39.933 39.000 -0.042 0.000 1.235 148 F HN 0.444 nan 8.300 nan 0.000 0.470 149 R N 2.740 123.273 120.500 0.055 0.000 2.387 149 R HA 0.336 4.680 4.340 0.008 0.000 0.314 149 R C -0.439 175.899 176.300 0.064 0.000 0.958 149 R CA -0.705 55.411 56.100 0.027 0.000 0.846 149 R CB 1.256 31.529 30.300 -0.046 0.000 1.147 149 R HN 0.373 nan 8.270 nan 0.000 0.447 150 E N 2.923 123.184 120.200 0.101 0.000 2.417 150 E HA -0.105 4.250 4.350 0.008 0.000 0.261 150 E C -0.788 175.857 176.600 0.075 0.000 1.000 150 E CA 0.474 56.960 56.400 0.143 0.000 0.919 150 E CB 0.618 30.445 29.700 0.212 0.000 0.955 150 E HN 0.870 nan 8.360 nan 0.000 0.455 151 N N 2.605 121.366 118.700 0.101 0.000 2.351 151 N HA 0.022 4.767 4.740 0.008 0.000 0.254 151 N C 0.424 175.996 175.510 0.104 0.000 1.241 151 N CA 0.370 53.468 53.050 0.080 0.000 0.883 151 N CB 0.452 38.969 38.487 0.050 0.000 1.202 151 N HN 0.472 nan 8.380 nan 0.000 0.512 152 T N -4.025 110.598 114.554 0.115 0.000 2.980 152 T HA 0.200 4.555 4.350 0.008 0.000 0.252 152 T C 0.642 175.404 174.700 0.104 0.000 0.962 152 T CA -0.150 62.019 62.100 0.116 0.000 0.932 152 T CB 0.491 69.440 68.868 0.135 0.000 1.188 152 T HN 0.027 nan 8.240 nan 0.000 0.500 153 E N 0.990 121.249 120.200 0.099 0.000 2.678 153 E HA 0.521 4.875 4.350 0.008 0.000 0.204 153 E C -0.775 175.868 176.600 0.071 0.000 0.743 153 E CA -0.754 55.701 56.400 0.092 0.000 1.082 153 E CB 0.233 29.997 29.700 0.108 0.000 1.721 153 E HN 0.143 nan 8.360 nan 0.000 0.390 154 D N -0.730 119.707 120.400 0.061 0.000 6.122 154 D HA -0.206 4.439 4.640 0.008 0.000 0.318 154 D C 0.915 177.251 176.300 0.060 0.000 2.527 154 D CA 1.630 55.644 54.000 0.023 0.000 1.441 154 D CB -0.346 40.406 40.800 -0.079 0.000 1.140 154 D HN 0.314 nan 8.370 nan 0.000 1.272 155 V N -0.704 119.245 119.914 0.058 0.000 2.688 155 V HA -0.189 3.936 4.120 0.008 0.000 0.256 155 V C 2.335 178.547 176.094 0.196 0.000 1.084 155 V CA 2.076 64.441 62.300 0.107 0.000 1.103 155 V CB -1.102 30.779 31.823 0.097 0.000 0.688 155 V HN 0.575 nan 8.190 nan 0.000 0.480 156 Y N 0.940 121.218 120.300 -0.036 0.000 2.574 156 Y HA 0.106 4.662 4.550 0.010 0.000 0.294 156 Y C 2.588 178.470 175.900 -0.029 0.000 1.142 156 Y CA 0.271 58.351 58.100 -0.034 0.000 1.314 156 Y CB -0.119 38.326 38.460 -0.025 0.000 0.991 156 Y HN 0.373 nan 8.280 nan 0.000 0.555 157 A N 0.152 123.046 122.820 0.124 0.000 2.235 157 A HA 0.204 4.528 4.320 0.008 0.000 0.208 157 A C 1.897 179.478 177.584 -0.005 0.000 1.172 157 A CA 0.799 52.871 52.037 0.058 0.000 0.786 157 A CB -1.123 17.914 19.000 0.062 0.000 0.804 157 A HN 0.524 nan 8.150 nan 0.000 0.479 158 G N -0.311 108.466 108.800 -0.039 0.000 2.305 158 G HA2 -0.253 3.712 3.960 0.008 0.000 0.287 158 G HA3 -0.253 3.712 3.960 0.008 0.000 0.287 158 G C -0.033 174.756 174.900 -0.186 0.000 1.036 158 G CA 0.521 45.551 45.100 -0.116 0.000 0.887 158 G HN 0.562 nan 8.290 nan 0.000 0.505 159 I N 0.416 120.895 120.570 -0.152 0.000 2.301 159 I HA 0.571 4.745 4.170 0.008 0.000 0.292 159 I C 0.351 176.264 176.117 -0.340 0.000 1.046 159 I CA -0.068 61.096 61.300 -0.227 0.000 1.282 159 I CB 1.273 39.253 38.000 -0.034 0.000 1.409 159 I HN 0.337 nan 8.210 nan 0.000 0.484 160 E N 6.265 125.949 120.200 -0.861 0.000 2.419 160 E HA 0.357 4.712 4.350 0.008 0.000 0.285 160 E C -2.350 173.523 176.600 -1.211 0.000 1.079 160 E CA -0.698 55.258 56.400 -0.739 0.000 0.864 160 E CB 1.277 30.757 29.700 -0.366 0.000 1.216 160 E HN 0.425 nan 8.360 nan 0.000 0.428 161 W N 3.453 124.761 121.300 0.014 0.000 3.274 161 W HA 0.429 5.098 4.660 0.014 0.000 0.327 161 W C -2.431 174.095 176.519 0.012 0.000 1.172 161 W CA -1.586 55.766 57.345 0.012 0.000 1.217 161 W CB 0.823 30.291 29.460 0.013 0.000 1.376 161 W HN 0.245 nan 8.180 nan 0.000 0.507 162 P HA 0.082 nan 4.420 nan 0.000 0.270 162 P C -0.098 177.275 177.300 0.123 0.000 1.223 162 P CA -0.393 62.777 63.100 0.117 0.000 0.785 162 P CB 0.809 32.564 31.700 0.091 0.000 0.923 163 R N 1.007 121.557 120.500 0.083 0.000 2.583 163 R HA 0.239 4.583 4.340 0.008 0.000 0.274 163 R C 1.172 177.510 176.300 0.062 0.000 0.998 163 R CA 0.941 57.083 56.100 0.070 0.000 1.081 163 R CB -1.383 28.947 30.300 0.050 0.000 0.940 163 R HN 0.809 nan 8.270 nan 0.000 0.413 164 G N 2.190 111.022 108.800 0.055 0.000 2.186 164 G HA2 -0.365 3.600 3.960 0.008 0.000 0.266 164 G HA3 -0.365 3.600 3.960 0.008 0.000 0.266 164 G C 0.082 175.006 174.900 0.041 0.000 0.982 164 G CA 0.692 45.816 45.100 0.041 0.000 0.670 164 G HN 1.183 nan 8.290 nan 0.000 0.533 165 S N -0.688 115.049 115.700 0.061 0.000 2.580 165 S HA 0.500 4.975 4.470 0.008 0.000 0.274 165 S C 1.100 175.711 174.600 0.018 0.000 1.329 165 S CA 0.415 58.651 58.200 0.059 0.000 1.036 165 S CB 1.830 65.100 63.200 0.117 0.000 0.919 165 S HN 0.390 nan 8.310 nan 0.000 0.515 166 E N 1.504 121.700 120.200 -0.005 0.000 2.097 166 E HA -0.217 4.137 4.350 0.008 0.000 0.196 166 E C 2.010 178.541 176.600 -0.115 0.000 1.000 166 E CA 1.858 58.230 56.400 -0.046 0.000 0.804 166 E CB -0.132 29.543 29.700 -0.043 0.000 0.740 166 E HN 0.840 nan 8.360 nan 0.000 0.454 167 E N 0.620 120.718 120.200 -0.169 0.000 2.070 167 E HA -0.240 4.115 4.350 0.008 0.000 0.197 167 E C 2.155 178.487 176.600 -0.448 0.000 1.004 167 E CA 1.277 57.413 56.400 -0.440 0.000 0.805 167 E CB -0.303 29.022 29.700 -0.625 0.000 0.744 167 E HN 0.247 nan 8.360 nan 0.000 0.451 168 A N 1.924 124.644 122.820 -0.166 0.000 1.873 168 A HA -0.069 4.255 4.320 0.008 0.000 0.215 168 A C 2.409 179.972 177.584 -0.035 0.000 1.186 168 A CA 0.893 52.909 52.037 -0.035 0.000 0.616 168 A CB -0.700 18.376 19.000 0.127 0.000 0.823 168 A HN 0.138 nan 8.150 nan 0.000 0.442 169 L N -0.868 120.337 121.223 -0.029 0.000 2.083 169 L HA -0.178 4.167 4.340 0.008 0.000 0.209 169 L C 2.587 179.442 176.870 -0.026 0.000 1.083 169 L CA 1.685 56.517 54.840 -0.013 0.000 0.752 169 L CB -0.369 41.685 42.059 -0.008 0.000 0.899 169 L HN 0.295 nan 8.230 nan 0.000 0.433 170 K N 0.690 121.047 120.400 -0.071 0.000 2.148 170 K HA -0.127 4.198 4.320 0.008 0.000 0.204 170 K C 1.918 178.488 176.600 -0.050 0.000 1.050 170 K CA 1.271 57.514 56.287 -0.073 0.000 0.942 170 K CB -0.339 32.080 32.500 -0.135 0.000 0.724 170 K HN 0.185 nan 8.250 nan 0.000 0.446 171 L N -0.002 121.165 121.223 -0.093 0.000 2.072 171 L HA -0.034 4.311 4.340 0.008 0.000 0.205 171 L C 2.032 178.965 176.870 0.105 0.000 1.079 171 L CA 1.130 55.953 54.840 -0.029 0.000 0.752 171 L CB -0.143 41.868 42.059 -0.081 0.000 0.906 171 L HN 0.180 nan 8.230 nan 0.000 0.436 172 I N -0.371 120.241 120.570 0.070 0.000 2.226 172 I HA -0.316 3.859 4.170 0.008 0.000 0.245 172 I C 2.652 178.816 176.117 0.079 0.000 1.100 172 I CA 1.173 62.524 61.300 0.085 0.000 1.374 172 I CB -0.248 37.788 38.000 0.061 0.000 1.057 172 I HN 0.234 nan 8.210 nan 0.000 0.413 173 R N -0.018 120.519 120.500 0.062 0.000 2.075 173 R HA -0.171 4.174 4.340 0.008 0.000 0.232 173 R C 2.292 178.617 176.300 0.041 0.000 1.126 173 R CA 1.537 57.661 56.100 0.039 0.000 0.963 173 R CB -0.427 29.889 30.300 0.025 0.000 0.858 173 R HN 0.242 nan 8.270 nan 0.000 0.435 174 F N 1.392 121.295 119.950 -0.079 0.000 2.095 174 F HA -0.188 4.346 4.527 0.012 0.000 0.298 174 F C 1.708 177.398 175.800 -0.183 0.000 1.104 174 F CA 1.519 59.441 58.000 -0.129 0.000 1.232 174 F CB -0.209 38.725 39.000 -0.109 0.000 0.987 174 F HN -0.096 nan 8.300 nan 0.000 0.475 175 L N 0.431 121.690 121.223 0.060 0.000 2.127 175 L HA -0.246 4.099 4.340 0.008 0.000 0.211 175 L C 2.578 179.409 176.870 -0.065 0.000 1.089 175 L CA 1.750 56.611 54.840 0.034 0.000 0.757 175 L CB -0.841 41.367 42.059 0.247 0.000 0.899 175 L HN 0.202 nan 8.230 nan 0.000 0.434 176 K N 0.828 121.189 120.400 -0.065 0.000 2.031 176 K HA -0.124 4.201 4.320 0.008 0.000 0.205 176 K C 1.575 178.098 176.600 -0.129 0.000 1.049 176 K CA 1.717 57.970 56.287 -0.056 0.000 0.939 176 K CB -0.019 32.465 32.500 -0.026 0.000 0.717 176 K HN 0.409 nan 8.250 nan 0.000 0.438 177 N N -0.196 118.380 118.700 -0.207 0.000 2.446 177 N HA -0.051 4.694 4.740 0.008 0.000 0.179 177 N C 1.043 176.328 175.510 -0.374 0.000 1.054 177 N CA 0.332 53.242 53.050 -0.234 0.000 0.905 177 N CB 0.385 38.755 38.487 -0.196 0.000 0.973 177 N HN 0.182 nan 8.380 nan 0.000 0.448 178 E N -0.138 119.666 120.200 -0.660 0.000 2.290 178 E HA 0.111 4.466 4.350 0.008 0.000 0.199 178 E C 0.707 176.888 176.600 -0.698 0.000 0.912 178 E CA 0.632 56.482 56.400 -0.917 0.000 0.924 178 E CB 0.100 28.757 29.700 -1.738 0.000 0.901 178 E HN 0.400 nan 8.360 nan 0.000 0.487 179 F N -0.391 119.442 119.950 -0.195 0.000 2.728 179 F HA 0.348 4.878 4.527 0.006 0.000 0.314 179 F C 1.316 177.081 175.800 -0.060 0.000 1.094 179 F CA 0.054 57.994 58.000 -0.101 0.000 1.217 179 F CB 1.009 39.970 39.000 -0.065 0.000 1.056 179 F HN 0.086 nan 8.300 nan 0.000 0.577 180 G N 1.579 110.403 108.800 0.041 0.000 2.160 180 G HA2 -0.262 3.702 3.960 0.008 0.000 0.251 180 G HA3 -0.262 3.702 3.960 0.008 0.000 0.251 180 G C -0.177 174.757 174.900 0.057 0.000 1.008 180 G CA 0.024 45.142 45.100 0.030 0.000 0.724 180 G HN 0.157 nan 8.290 nan 0.000 0.514 181 V N 1.579 121.545 119.914 0.088 0.000 2.385 181 V HA 0.479 4.604 4.120 0.008 0.000 0.269 181 V C 0.739 176.872 176.094 0.065 0.000 1.043 181 V CA 0.223 62.578 62.300 0.092 0.000 0.906 181 V CB 1.479 33.389 31.823 0.144 0.000 0.995 181 V HN 0.332 nan 8.190 nan 0.000 0.467 182 T N 7.025 121.610 114.554 0.050 0.000 2.747 182 T HA 0.491 4.845 4.350 0.008 0.000 0.301 182 T C -0.055 174.674 174.700 0.048 0.000 0.952 182 T CA -0.154 61.971 62.100 0.040 0.000 0.983 182 T CB 0.116 69.001 68.868 0.028 0.000 0.930 182 T HN 0.298 nan 8.240 nan 0.000 0.494 183 I N 3.101 123.703 120.570 0.055 0.000 2.359 183 I HA 0.335 4.509 4.170 0.008 0.000 0.294 183 I C 1.000 177.145 176.117 0.047 0.000 0.987 183 I CA -0.839 60.495 61.300 0.058 0.000 1.225 183 I CB 1.243 39.288 38.000 0.075 0.000 1.366 183 I HN 0.419 nan 8.210 nan 0.000 0.466 184 R N 3.611 124.136 120.500 0.042 0.000 2.585 184 R HA -0.053 4.291 4.340 0.008 0.000 0.275 184 R C 0.638 176.961 176.300 0.039 0.000 1.018 184 R CA 0.062 56.184 56.100 0.035 0.000 1.072 184 R CB 0.749 31.068 30.300 0.033 0.000 0.953 184 R HN 0.562 nan 8.270 nan 0.000 0.419 185 E N 0.947 121.166 120.200 0.033 0.000 2.285 185 E HA -0.127 4.227 4.350 0.008 0.000 0.194 185 E C 0.427 177.048 176.600 0.036 0.000 0.997 185 E CA 0.828 57.248 56.400 0.034 0.000 0.845 185 E CB 0.005 29.721 29.700 0.026 0.000 0.782 185 E HN 0.581 nan 8.360 nan 0.000 0.491 186 D N 0.477 120.896 120.400 0.032 0.000 2.490 186 D HA -0.003 4.641 4.640 0.008 0.000 0.255 186 D C -0.451 175.871 176.300 0.038 0.000 1.248 186 D CA -0.016 54.003 54.000 0.032 0.000 0.887 186 D CB -0.250 40.565 40.800 0.025 0.000 0.978 186 D HN -0.206 nan 8.370 nan 0.000 0.491 187 S N -0.603 115.125 115.700 0.047 0.000 2.501 187 S HA 0.685 5.160 4.470 0.008 0.000 0.301 187 S C 0.434 175.077 174.600 0.071 0.000 1.096 187 S CA -0.774 57.459 58.200 0.056 0.000 1.063 187 S CB 1.928 65.164 63.200 0.060 0.000 1.042 187 S HN 0.403 nan 8.310 nan 0.000 0.494 188 G N 1.472 110.314 108.800 0.069 0.000 2.476 188 G HA2 0.629 4.594 3.960 0.008 0.000 0.269 188 G HA3 0.629 4.594 3.960 0.008 0.000 0.269 188 G C -0.797 174.165 174.900 0.103 0.000 1.195 188 G CA -0.363 44.789 45.100 0.088 0.000 0.843 188 G HN 0.620 nan 8.290 nan 0.000 0.545 189 I N 1.275 121.934 120.570 0.149 0.000 2.512 189 I HA 0.372 4.546 4.170 0.008 0.000 0.287 189 I C 0.516 176.730 176.117 0.161 0.000 1.069 189 I CA -0.371 61.033 61.300 0.173 0.000 1.056 189 I CB 1.688 39.832 38.000 0.240 0.000 1.229 189 I HN 0.646 nan 8.210 nan 0.000 0.429 190 G N 5.860 114.719 108.800 0.098 0.000 2.509 190 G HA2 0.780 4.744 3.960 0.008 0.000 0.328 190 G HA3 0.780 4.744 3.960 0.008 0.000 0.328 190 G C -1.106 173.854 174.900 0.100 0.000 1.194 190 G CA -0.496 44.637 45.100 0.056 0.000 0.967 190 G HN 0.568 nan 8.290 nan 0.000 0.488 191 I N -2.280 118.340 120.570 0.083 0.000 2.647 191 I HA 0.679 4.853 4.170 0.008 0.000 0.295 191 I C -0.667 175.497 176.117 0.079 0.000 1.078 191 I CA -1.117 60.246 61.300 0.104 0.000 1.048 191 I CB 2.565 40.653 38.000 0.147 0.000 1.239 191 I HN 0.352 nan 8.210 nan 0.000 0.421 192 K N 7.177 127.626 120.400 0.082 0.000 2.484 192 K HA 0.554 4.878 4.320 0.008 0.000 0.226 192 K C -2.661 173.995 176.600 0.092 0.000 1.031 192 K CA -1.651 54.679 56.287 0.073 0.000 1.026 192 K CB 0.878 33.411 32.500 0.055 0.000 1.412 192 K HN 0.557 nan 8.250 nan 0.000 0.492 193 P HA 0.381 nan 4.420 nan 0.000 0.294 193 P C -0.781 176.606 177.300 0.144 0.000 1.294 193 P CA -0.622 62.551 63.100 0.121 0.000 0.827 193 P CB 1.323 33.088 31.700 0.108 0.000 0.992 194 I N 1.963 122.655 120.570 0.203 0.000 2.500 194 I HA 0.211 4.385 4.170 0.008 0.000 0.286 194 I C 0.334 176.666 176.117 0.359 0.000 1.063 194 I CA -0.447 61.023 61.300 0.282 0.000 1.062 194 I CB 1.798 40.002 38.000 0.340 0.000 1.223 194 I HN 0.418 nan 8.210 nan 0.000 0.435 195 S N 4.211 120.029 115.700 0.196 0.000 2.621 195 S HA 0.476 4.950 4.470 0.008 0.000 0.302 195 S C 0.802 175.115 174.600 -0.480 0.000 1.093 195 S CA -0.645 57.532 58.200 -0.038 0.000 1.017 195 S CB 2.706 65.905 63.200 -0.001 0.000 1.077 195 S HN 0.581 nan 8.310 nan 0.000 0.517 196 E N 0.288 119.814 120.200 -1.124 0.000 2.048 196 E HA -0.187 4.167 4.350 0.008 0.000 0.202 196 E C 1.493 177.746 176.600 -0.579 0.000 1.021 196 E CA 1.701 57.258 56.400 -1.406 0.000 0.825 196 E CB -0.299 28.765 29.700 -1.060 0.000 0.756 196 E HN 0.769 nan 8.360 nan 0.000 0.454 197 F N 1.224 120.913 119.950 -0.434 0.000 2.043 197 F HA -0.307 4.223 4.527 0.005 0.000 0.297 197 F C 2.264 177.923 175.800 -0.236 0.000 1.118 197 F CA 2.031 59.863 58.000 -0.281 0.000 1.202 197 F CB -0.682 38.194 39.000 -0.207 0.000 0.965 197 F HN 0.001 nan 8.300 nan 0.000 0.482 198 A N -0.680 122.031 122.820 -0.182 0.000 1.877 198 A HA -0.193 4.132 4.320 0.008 0.000 0.216 198 A C 2.202 179.663 177.584 -0.204 0.000 1.186 198 A CA 2.434 54.337 52.037 -0.224 0.000 0.620 198 A CB -1.509 17.502 19.000 0.019 0.000 0.822 198 A HN 0.484 nan 8.150 nan 0.000 0.443 199 T N -0.025 114.451 114.554 -0.130 0.000 2.720 199 T HA -0.135 4.220 4.350 0.008 0.000 0.268 199 T C 1.882 176.431 174.700 -0.252 0.000 1.037 199 T CA 1.777 63.787 62.100 -0.150 0.000 1.144 199 T CB -0.194 68.606 68.868 -0.113 0.000 0.864 199 T HN 0.532 nan 8.240 nan 0.000 0.444 200 K N 0.393 120.622 120.400 -0.286 0.000 2.217 200 K HA 0.093 4.418 4.320 0.008 0.000 0.202 200 K C 2.568 179.040 176.600 -0.214 0.000 1.051 200 K CA 0.486 56.637 56.287 -0.227 0.000 0.952 200 K CB -0.039 32.334 32.500 -0.212 0.000 0.736 200 K HN 0.167 nan 8.250 nan 0.000 0.453 201 R N 0.833 121.122 120.500 -0.352 0.000 2.066 201 R HA -0.102 4.242 4.340 0.008 0.000 0.232 201 R C 2.358 178.658 176.300 -0.000 0.000 1.131 201 R CA 1.036 56.936 56.100 -0.333 0.000 0.955 201 R CB -0.222 29.578 30.300 -0.834 0.000 0.851 201 R HN 0.098 nan 8.270 nan 0.000 0.432 202 L N 0.259 121.496 121.223 0.023 0.000 2.005 202 L HA -0.143 4.202 4.340 0.008 0.000 0.207 202 L C 2.019 178.894 176.870 0.008 0.000 1.072 202 L CA 1.473 56.398 54.840 0.142 0.000 0.744 202 L CB -0.247 41.937 42.059 0.209 0.000 0.895 202 L HN -0.055 nan 8.230 nan 0.000 0.433 203 V N 0.001 119.869 119.914 -0.078 0.000 2.427 203 V HA -0.261 3.863 4.120 0.008 0.000 0.248 203 V C 2.726 178.736 176.094 -0.139 0.000 1.051 203 V CA 1.997 64.215 62.300 -0.137 0.000 1.048 203 V CB -0.797 30.916 31.823 -0.183 0.000 0.666 203 V HN 0.515 nan 8.190 nan 0.000 0.456 204 R N 0.117 120.592 120.500 -0.043 0.000 2.088 204 R HA -0.240 4.105 4.340 0.008 0.000 0.232 204 R C 2.449 178.704 176.300 -0.075 0.000 1.136 204 R CA 2.543 58.679 56.100 0.059 0.000 0.926 204 R CB -0.439 29.944 30.300 0.139 0.000 0.837 204 R HN 0.495 nan 8.270 nan 0.000 0.429 205 M N 0.288 119.868 119.600 -0.033 0.000 2.088 205 M HA -0.227 4.258 4.480 0.008 0.000 0.256 205 M C 2.176 178.236 176.300 -0.399 0.000 1.071 205 M CA 2.468 57.729 55.300 -0.066 0.000 1.097 205 M CB -0.298 32.354 32.600 0.087 0.000 1.315 205 M HN 0.341 nan 8.290 nan 0.000 0.406 206 A N 0.530 122.868 122.820 -0.802 0.000 1.927 206 A HA -0.206 4.119 4.320 0.008 0.000 0.220 206 A C 2.013 179.244 177.584 -0.588 0.000 1.185 206 A CA 2.255 53.516 52.037 -1.294 0.000 0.639 206 A CB -1.141 17.298 19.000 -0.935 0.000 0.820 206 A HN 0.703 nan 8.150 nan 0.000 0.451 207 I N -1.791 118.487 120.570 -0.486 0.000 2.333 207 I HA -0.172 4.002 4.170 0.008 0.000 0.246 207 I C 2.739 178.520 176.117 -0.560 0.000 1.106 207 I CA 0.942 61.923 61.300 -0.532 0.000 1.411 207 I CB -0.336 37.209 38.000 -0.760 0.000 1.082 207 I HN 0.270 nan 8.210 nan 0.000 0.420 208 R N 0.079 120.266 120.500 -0.522 0.000 2.096 208 R HA -0.265 4.079 4.340 0.008 0.000 0.240 208 R C 2.419 178.637 176.300 -0.137 0.000 1.139 208 R CA 2.227 58.164 56.100 -0.272 0.000 0.952 208 R CB -0.637 29.624 30.300 -0.065 0.000 0.854 208 R HN 0.338 nan 8.270 nan 0.000 0.436 209 Y N 0.618 120.815 120.300 -0.173 0.000 2.165 209 Y HA -0.285 4.270 4.550 0.008 0.000 0.286 209 Y C 2.163 178.038 175.900 -0.041 0.000 1.155 209 Y CA 1.641 59.726 58.100 -0.025 0.000 1.164 209 Y CB -0.202 38.341 38.460 0.139 0.000 0.978 209 Y HN 0.117 nan 8.280 nan 0.000 0.513 210 A N -0.064 122.788 122.820 0.053 0.000 1.969 210 A HA -0.111 4.214 4.320 0.008 0.000 0.218 210 A C 2.202 179.710 177.584 -0.126 0.000 1.169 210 A CA 1.665 53.707 52.037 0.008 0.000 0.635 210 A CB -0.927 18.069 19.000 -0.007 0.000 0.810 210 A HN 0.582 nan 8.150 nan 0.000 0.445 211 I N -0.701 119.736 120.570 -0.222 0.000 2.163 211 I HA -0.210 3.965 4.170 0.008 0.000 0.240 211 I C 2.490 178.483 176.117 -0.206 0.000 1.081 211 I CA 1.778 62.913 61.300 -0.275 0.000 1.353 211 I CB -0.173 37.542 38.000 -0.474 0.000 1.054 211 I HN 0.427 nan 8.210 nan 0.000 0.407 212 E N 1.031 121.102 120.200 -0.215 0.000 2.268 212 E HA -0.157 4.198 4.350 0.008 0.000 0.195 212 E C 1.092 177.566 176.600 -0.210 0.000 0.995 212 E CA 1.211 57.499 56.400 -0.186 0.000 0.836 212 E CB 0.024 29.622 29.700 -0.171 0.000 0.763 212 E HN 0.400 nan 8.360 nan 0.000 0.491 213 N N 0.564 119.098 118.700 -0.276 0.000 2.238 213 N HA 0.090 4.835 4.740 0.008 0.000 0.235 213 N C -0.946 174.492 175.510 -0.120 0.000 1.209 213 N CA 0.133 53.034 53.050 -0.249 0.000 0.879 213 N CB 0.100 38.300 38.487 -0.480 0.000 1.136 213 N HN 0.191 nan 8.380 nan 0.000 0.517 214 N N 1.794 120.440 118.700 -0.091 0.000 2.678 214 N HA -0.193 4.552 4.740 0.008 0.000 0.268 214 N C -0.751 174.756 175.510 -0.005 0.000 1.010 214 N CA 0.474 53.499 53.050 -0.040 0.000 0.784 214 N CB -0.300 38.171 38.487 -0.027 0.000 0.905 214 N HN 0.082 nan 8.380 nan 0.000 0.552 215 R N 1.132 121.641 120.500 0.015 0.000 2.457 215 R HA 0.226 4.571 4.340 0.008 0.000 0.284 215 R C 1.155 177.482 176.300 0.044 0.000 1.024 215 R CA -0.507 55.634 56.100 0.069 0.000 1.025 215 R CB 0.748 31.141 30.300 0.154 0.000 1.063 215 R HN 0.300 nan 8.270 nan 0.000 0.493 216 K N 0.451 120.879 120.400 0.046 0.000 2.217 216 K HA -0.029 4.296 4.320 0.008 0.000 0.202 216 K C 0.415 177.030 176.600 0.025 0.000 1.051 216 K CA 1.039 57.339 56.287 0.022 0.000 0.952 216 K CB 0.215 32.722 32.500 0.011 0.000 0.736 216 K HN 0.701 nan 8.250 nan 0.000 0.453 217 S N -0.972 114.757 115.700 0.049 0.000 2.607 217 S HA 0.499 4.973 4.470 0.008 0.000 0.273 217 S C -0.864 173.775 174.600 0.065 0.000 1.148 217 S CA -1.139 57.090 58.200 0.049 0.000 0.833 217 S CB 2.246 65.468 63.200 0.037 0.000 1.130 217 S HN -0.179 nan 8.310 nan 0.000 0.470 218 V N 1.707 121.651 119.914 0.050 0.000 2.407 218 V HA 0.546 4.671 4.120 0.008 0.000 0.291 218 V C -0.392 175.736 176.094 0.056 0.000 1.018 218 V CA -0.383 61.939 62.300 0.036 0.000 0.842 218 V CB 1.521 33.324 31.823 -0.034 0.000 0.996 218 V HN 1.029 nan 8.190 nan 0.000 0.426 219 T N 6.614 121.220 114.554 0.087 0.000 2.767 219 T HA 0.592 4.947 4.350 0.008 0.000 0.284 219 T C -0.153 174.580 174.700 0.055 0.000 0.973 219 T CA -0.250 61.910 62.100 0.100 0.000 0.996 219 T CB 0.778 69.749 68.868 0.172 0.000 0.927 219 T HN 0.351 nan 8.240 nan 0.000 0.456 220 L N 3.782 125.034 121.223 0.048 0.000 2.265 220 L HA 0.514 4.859 4.340 0.008 0.000 0.288 220 L C -0.292 176.667 176.870 0.148 0.000 1.058 220 L CA -0.775 54.129 54.840 0.106 0.000 0.809 220 L CB 0.908 42.978 42.059 0.019 0.000 1.179 220 L HN 0.317 nan 8.230 nan 0.000 0.429 221 V N 2.993 122.954 119.914 0.078 0.000 2.459 221 V HA 0.564 4.688 4.120 0.008 0.000 0.295 221 V C -0.559 175.493 176.094 -0.069 0.000 1.029 221 V CA -0.552 61.706 62.300 -0.069 0.000 0.874 221 V CB 1.330 33.031 31.823 -0.204 0.000 0.985 221 V HN 0.972 nan 8.190 nan 0.000 0.438 222 H N 2.197 121.184 119.070 -0.138 0.000 3.003 222 H HA 0.672 5.232 4.556 0.007 0.000 0.327 222 H C -0.820 174.446 175.328 -0.102 0.000 1.353 222 H CA -1.156 54.810 56.048 -0.136 0.000 1.142 222 H CB 1.695 31.430 29.762 -0.044 0.000 1.864 222 H HN 0.330 nan 8.280 nan 0.000 0.529 223 K N 0.868 121.239 120.400 -0.049 0.000 3.167 223 K HA 0.355 4.679 4.320 0.008 0.000 0.208 223 K C 0.907 177.548 176.600 0.068 0.000 1.159 223 K CA 0.208 56.460 56.287 -0.059 0.000 1.018 223 K CB -0.099 32.356 32.500 -0.075 0.000 0.927 223 K HN 0.845 nan 8.250 nan 0.000 0.476 224 G N 0.682 109.682 108.800 0.334 0.000 2.598 224 G HA2 -0.203 3.762 3.960 0.008 0.000 0.215 224 G HA3 -0.203 3.762 3.960 0.008 0.000 0.215 224 G C 1.064 175.999 174.900 0.058 0.000 1.131 224 G CA 0.451 45.657 45.100 0.175 0.000 0.785 224 G HN 0.576 nan 8.290 nan 0.000 0.539 225 N N 1.244 119.987 118.700 0.071 0.000 2.166 225 N HA -0.077 4.668 4.740 0.008 0.000 0.186 225 N C 1.829 177.318 175.510 -0.036 0.000 1.019 225 N CA 1.197 54.251 53.050 0.007 0.000 0.856 225 N CB -0.378 38.113 38.487 0.007 0.000 0.993 225 N HN 0.424 nan 8.380 nan 0.000 0.426 226 I N -0.608 119.940 120.570 -0.036 0.000 3.081 226 I HA 0.145 4.320 4.170 0.008 0.000 0.274 226 I C 0.658 176.728 176.117 -0.077 0.000 1.178 226 I CA 0.425 61.696 61.300 -0.050 0.000 1.460 226 I CB 0.083 38.064 38.000 -0.032 0.000 1.137 226 I HN -0.046 nan 8.210 nan 0.000 0.443 227 M N 0.750 120.303 119.600 -0.079 0.000 2.808 227 M HA 0.267 4.751 4.480 0.008 0.000 0.225 227 M C 0.627 176.820 176.300 -0.178 0.000 1.103 227 M CA -0.161 55.078 55.300 -0.103 0.000 0.982 227 M CB 0.809 33.381 32.600 -0.047 0.000 1.314 227 M HN -0.063 nan 8.290 nan 0.000 0.505 228 K N 0.267 120.446 120.400 -0.369 0.000 2.074 228 K HA -0.161 4.164 4.320 0.008 0.000 0.209 228 K C 0.582 176.904 176.600 -0.464 0.000 1.048 228 K CA 1.863 57.823 56.287 -0.544 0.000 0.926 228 K CB -0.048 31.883 32.500 -0.949 0.000 0.713 228 K HN 0.504 nan 8.250 nan 0.000 0.444 229 Y N -0.184 120.081 120.300 -0.059 0.000 2.458 229 Y HA 0.070 4.624 4.550 0.007 0.000 0.256 229 Y C 2.001 177.868 175.900 -0.056 0.000 1.159 229 Y CA 0.406 58.459 58.100 -0.077 0.000 1.261 229 Y CB -0.245 38.188 38.460 -0.045 0.000 1.119 229 Y HN 0.166 nan 8.280 nan 0.000 0.524 230 T N -3.580 111.011 114.554 0.063 0.000 3.499 230 T HA 0.047 4.401 4.350 0.008 0.000 0.227 230 T C 1.559 176.296 174.700 0.061 0.000 0.946 230 T CA 0.221 62.373 62.100 0.087 0.000 1.368 230 T CB -0.182 68.740 68.868 0.090 0.000 1.227 230 T HN -0.059 nan 8.240 nan 0.000 0.398 231 E N 1.709 121.926 120.200 0.028 0.000 2.051 231 E HA -0.040 4.314 4.350 0.008 0.000 0.192 231 E C 2.489 179.096 176.600 0.012 0.000 0.991 231 E CA 1.463 57.891 56.400 0.047 0.000 0.799 231 E CB -1.018 28.705 29.700 0.038 0.000 0.748 231 E HN 0.653 nan 8.360 nan 0.000 0.449 232 G N 1.558 110.314 108.800 -0.074 0.000 2.469 232 G HA2 -0.280 3.684 3.960 0.008 0.000 0.219 232 G HA3 -0.280 3.684 3.960 0.008 0.000 0.219 232 G C 1.762 176.510 174.900 -0.254 0.000 1.150 232 G CA 1.528 46.520 45.100 -0.179 0.000 0.763 232 G HN 0.393 nan 8.290 nan 0.000 0.561 233 A N 0.071 122.707 122.820 -0.305 0.000 1.930 233 A HA 0.134 4.459 4.320 0.008 0.000 0.217 233 A C 2.143 179.375 177.584 -0.586 0.000 1.175 233 A CA 1.419 53.009 52.037 -0.745 0.000 0.627 233 A CB -0.475 17.904 19.000 -1.035 0.000 0.815 233 A HN 0.399 nan 8.150 nan 0.000 0.443 234 F N 0.637 120.458 119.950 -0.215 0.000 2.075 234 F HA -0.195 4.336 4.527 0.007 0.000 0.297 234 F C 2.432 178.185 175.800 -0.077 0.000 1.113 234 F CA 2.171 60.188 58.000 0.028 0.000 1.218 234 F CB -0.208 38.818 39.000 0.044 0.000 0.984 234 F HN 0.200 nan 8.300 nan 0.000 0.472 235 R N 0.746 121.253 120.500 0.011 0.000 2.132 235 R HA -0.236 4.109 4.340 0.008 0.000 0.233 235 R C 1.914 178.126 176.300 -0.146 0.000 1.125 235 R CA 2.580 58.566 56.100 -0.190 0.000 0.914 235 R CB -1.093 28.905 30.300 -0.503 0.000 0.845 235 R HN 0.302 nan 8.270 nan 0.000 0.431 236 D N -0.489 119.826 120.400 -0.142 0.000 2.144 236 D HA -0.206 4.439 4.640 0.008 0.000 0.199 236 D C 1.915 178.215 176.300 -0.000 0.000 0.984 236 D CA 0.981 54.949 54.000 -0.054 0.000 0.834 236 D CB -0.479 40.215 40.800 -0.176 0.000 0.955 236 D HN 0.411 nan 8.370 nan 0.000 0.465 237 W N 1.492 122.757 121.300 -0.058 0.000 2.363 237 W HA -0.009 4.655 4.660 0.007 0.000 0.296 237 W C 2.542 178.965 176.519 -0.160 0.000 1.212 237 W CA 1.065 58.348 57.345 -0.103 0.000 1.260 237 W CB -1.336 28.037 29.460 -0.145 0.000 1.131 237 W HN 0.034 nan 8.180 nan 0.000 0.530 238 G N -0.815 107.940 108.800 -0.077 0.000 2.421 238 G HA2 -0.292 3.672 3.960 0.008 0.000 0.216 238 G HA3 -0.292 3.672 3.960 0.008 0.000 0.216 238 G C 1.393 176.234 174.900 -0.098 0.000 1.171 238 G CA 0.916 45.896 45.100 -0.199 0.000 0.775 238 G HN 0.260 nan 8.290 nan 0.000 0.543 239 Y N 0.969 121.273 120.300 0.008 0.000 2.165 239 Y HA -0.131 4.424 4.550 0.008 0.000 0.286 239 Y C 2.991 178.926 175.900 0.058 0.000 1.155 239 Y CA 1.484 59.604 58.100 0.033 0.000 1.164 239 Y CB 0.020 38.489 38.460 0.015 0.000 0.978 239 Y HN 0.289 nan 8.280 nan 0.000 0.513 240 E N -0.463 119.873 120.200 0.226 0.000 2.077 240 E HA -0.200 4.155 4.350 0.008 0.000 0.193 240 E C 2.242 178.929 176.600 0.145 0.000 0.989 240 E CA 1.523 58.027 56.400 0.173 0.000 0.800 240 E CB -0.308 29.503 29.700 0.185 0.000 0.746 240 E HN 0.218 nan 8.360 nan 0.000 0.452 241 V N 1.521 121.514 119.914 0.131 0.000 2.287 241 V HA -0.329 3.796 4.120 0.008 0.000 0.248 241 V C 2.331 178.578 176.094 0.254 0.000 1.053 241 V CA 1.919 64.309 62.300 0.149 0.000 1.027 241 V CB -0.818 31.078 31.823 0.121 0.000 0.646 241 V HN 0.349 nan 8.190 nan 0.000 0.447 242 A N -0.175 122.783 122.820 0.231 0.000 1.849 242 A HA -0.279 4.045 4.320 0.008 0.000 0.217 242 A C 2.311 180.050 177.584 0.258 0.000 1.202 242 A CA 2.279 54.477 52.037 0.269 0.000 0.629 242 A CB -0.531 18.605 19.000 0.225 0.000 0.834 242 A HN 0.510 nan 8.150 nan 0.000 0.447 243 K N -0.890 119.630 120.400 0.200 0.000 2.103 243 K HA -0.107 4.218 4.320 0.008 0.000 0.204 243 K C 2.168 178.829 176.600 0.103 0.000 1.052 243 K CA 1.555 57.929 56.287 0.145 0.000 0.945 243 K CB -0.166 32.403 32.500 0.114 0.000 0.722 243 K HN 0.642 nan 8.250 nan 0.000 0.443 244 Q N -0.299 119.554 119.800 0.087 0.000 2.402 244 Q HA -0.012 4.333 4.340 0.008 0.000 0.206 244 Q C 1.260 177.241 176.000 -0.032 0.000 0.919 244 Q CA 0.560 56.382 55.803 0.032 0.000 0.923 244 Q CB 0.617 29.375 28.738 0.033 0.000 1.048 244 Q HN 0.281 nan 8.270 nan 0.000 0.515 245 E N -1.128 119.032 120.200 -0.066 0.000 2.453 245 E HA 0.091 4.445 4.350 0.008 0.000 0.211 245 E C -0.266 175.974 176.600 -0.601 0.000 0.897 245 E CA 0.065 56.256 56.400 -0.349 0.000 1.063 245 E CB 0.756 30.189 29.700 -0.446 0.000 1.080 245 E HN 0.144 nan 8.360 nan 0.000 0.512 246 F N -0.927 119.089 119.950 0.110 0.000 2.815 246 F HA 0.340 4.871 4.527 0.007 0.000 0.335 246 F C 1.438 177.352 175.800 0.191 0.000 1.179 246 F CA -0.273 57.843 58.000 0.194 0.000 1.204 246 F CB 0.823 39.920 39.000 0.161 0.000 1.050 246 F HN 0.006 nan 8.300 nan 0.000 0.510 247 G N 0.402 109.319 108.800 0.195 0.000 2.503 247 G HA2 -0.281 3.683 3.960 0.008 0.000 0.221 247 G HA3 -0.281 3.683 3.960 0.008 0.000 0.221 247 G C 1.494 176.435 174.900 0.067 0.000 1.131 247 G CA 1.136 46.308 45.100 0.120 0.000 0.756 247 G HN 0.432 nan 8.290 nan 0.000 0.572 248 E N -0.823 119.365 120.200 -0.021 0.000 2.265 248 E HA -0.092 4.262 4.350 0.008 0.000 0.196 248 E C 1.799 178.206 176.600 -0.322 0.000 0.996 248 E CA 0.888 57.147 56.400 -0.235 0.000 0.832 248 E CB -0.108 29.317 29.700 -0.458 0.000 0.756 248 E HN 0.756 nan 8.360 nan 0.000 0.491 249 Y N -1.102 119.264 120.300 0.110 0.000 2.558 249 Y HA 0.180 4.734 4.550 0.008 0.000 0.273 249 Y C 1.034 176.977 175.900 0.072 0.000 1.100 249 Y CA -0.446 57.703 58.100 0.081 0.000 1.276 249 Y CB 0.541 39.053 38.460 0.087 0.000 1.196 249 Y HN -0.092 nan 8.280 nan 0.000 0.527 250 C N 3.636 123.094 119.300 0.263 0.000 2.273 250 C HA 0.598 5.063 4.460 0.008 0.000 0.328 250 C C 0.282 175.372 174.990 0.166 0.000 1.275 250 C CA -1.311 57.826 59.018 0.199 0.000 1.704 250 C CB -1.245 26.623 27.740 0.214 0.000 2.326 250 C HN 0.283 nan 8.230 nan 0.000 0.517 251 I N 1.595 122.254 120.570 0.147 0.000 2.603 251 I HA 0.685 4.860 4.170 0.008 0.000 0.300 251 I C 0.395 176.604 176.117 0.153 0.000 1.017 251 I CA -0.145 61.246 61.300 0.151 0.000 1.098 251 I CB 1.897 40.006 38.000 0.182 0.000 1.279 251 I HN 0.620 nan 8.210 nan 0.000 0.437 252 T N 0.446 115.086 114.554 0.145 0.000 2.828 252 T HA 0.245 4.599 4.350 0.008 0.000 0.290 252 T C 0.815 175.606 174.700 0.152 0.000 1.019 252 T CA -0.260 61.929 62.100 0.148 0.000 1.031 252 T CB 1.362 70.271 68.868 0.068 0.000 1.001 252 T HN 0.780 nan 8.240 nan 0.000 0.531 253 E N 0.295 120.599 120.200 0.172 0.000 2.070 253 E HA -0.223 4.132 4.350 0.008 0.000 0.197 253 E C 1.700 178.463 176.600 0.272 0.000 1.004 253 E CA 1.635 58.168 56.400 0.222 0.000 0.805 253 E CB -0.221 29.613 29.700 0.224 0.000 0.744 253 E HN 0.849 nan 8.360 nan 0.000 0.451 254 D N 0.681 121.190 120.400 0.181 0.000 2.116 254 D HA -0.199 4.446 4.640 0.008 0.000 0.193 254 D C 1.813 178.207 176.300 0.157 0.000 0.998 254 D CA 1.259 55.355 54.000 0.159 0.000 0.836 254 D CB 0.062 40.904 40.800 0.071 0.000 0.951 254 D HN 0.144 nan 8.370 nan 0.000 0.449 255 E N -0.588 119.683 120.200 0.118 0.000 2.077 255 E HA -0.163 4.192 4.350 0.008 0.000 0.193 255 E C 2.197 178.863 176.600 0.110 0.000 0.989 255 E CA 0.496 56.948 56.400 0.088 0.000 0.800 255 E CB -0.243 29.517 29.700 0.100 0.000 0.746 255 E HN 0.301 nan 8.360 nan 0.000 0.452 256 L N -0.069 121.240 121.223 0.143 0.000 2.013 256 L HA -0.182 4.163 4.340 0.008 0.000 0.212 256 L C 1.858 178.643 176.870 -0.142 0.000 1.073 256 L CA 1.863 56.732 54.840 0.049 0.000 0.753 256 L CB -0.547 41.470 42.059 -0.071 0.000 0.890 256 L HN 0.158 nan 8.230 nan 0.000 0.432 257 W N -0.275 121.069 121.300 0.073 0.000 2.443 257 W HA -0.060 4.605 4.660 0.007 0.000 0.296 257 W C 2.387 178.910 176.519 0.008 0.000 1.202 257 W CA 0.825 58.195 57.345 0.042 0.000 1.312 257 W CB -0.313 29.164 29.460 0.028 0.000 1.120 257 W HN 0.141 nan 8.180 nan 0.000 0.536 258 D N 0.104 120.616 120.400 0.186 0.000 2.077 258 D HA -0.172 4.473 4.640 0.008 0.000 0.196 258 D C 1.829 178.094 176.300 -0.058 0.000 0.986 258 D CA 1.531 55.568 54.000 0.063 0.000 0.829 258 D CB -0.508 40.309 40.800 0.028 0.000 0.983 258 D HN 0.088 nan 8.370 nan 0.000 0.453 259 K N -0.960 119.328 120.400 -0.187 0.000 2.137 259 K HA -0.048 4.277 4.320 0.008 0.000 0.202 259 K C 0.803 177.013 176.600 -0.650 0.000 1.052 259 K CA 0.784 56.772 56.287 -0.499 0.000 0.961 259 K CB 0.132 32.194 32.500 -0.729 0.000 0.741 259 K HN 0.120 nan 8.250 nan 0.000 0.452 260 Y N -0.739 119.521 120.300 -0.067 0.000 2.612 260 Y HA 0.328 4.882 4.550 0.008 0.000 0.250 260 Y C 0.795 176.602 175.900 -0.154 0.000 1.175 260 Y CA -0.313 57.724 58.100 -0.105 0.000 1.205 260 Y CB 1.077 39.459 38.460 -0.129 0.000 1.201 260 Y HN 0.192 nan 8.280 nan 0.000 0.532 261 G N 0.626 109.404 108.800 -0.037 0.000 2.258 261 G HA2 -0.122 3.842 3.960 0.008 0.000 0.274 261 G HA3 -0.122 3.842 3.960 0.008 0.000 0.274 261 G C 1.320 175.990 174.900 -0.384 0.000 1.021 261 G CA 0.662 45.729 45.100 -0.054 0.000 0.798 261 G HN 1.223 nan 8.290 nan 0.000 0.507 262 G N -0.810 107.476 108.800 -0.857 0.000 2.176 262 G HA2 -0.253 3.711 3.960 0.008 0.000 0.253 262 G HA3 -0.253 3.711 3.960 0.008 0.000 0.253 262 G C 1.080 175.559 174.900 -0.702 0.000 0.979 262 G CA 1.614 45.736 45.100 -1.630 0.000 0.641 262 G HN 1.680 nan 8.290 nan 0.000 0.530 263 K N -0.912 119.270 120.400 -0.362 0.000 2.175 263 K HA 0.373 4.698 4.320 0.008 0.000 0.198 263 K C 0.539 177.007 176.600 -0.220 0.000 1.052 263 K CA 0.969 57.129 56.287 -0.212 0.000 1.053 263 K CB 0.162 32.591 32.500 -0.119 0.000 1.399 263 K HN 0.328 nan 8.250 nan 0.000 0.524 264 Q N 0.777 120.450 119.800 -0.212 0.000 3.404 264 Q HA 0.118 4.462 4.340 0.008 0.000 0.168 264 Q C -2.780 173.069 176.000 -0.252 0.000 0.885 264 Q CA -0.715 54.950 55.803 -0.231 0.000 1.364 264 Q CB 1.054 29.701 28.738 -0.152 0.000 1.432 264 Q HN 0.566 nan 8.270 nan 0.000 0.656 265 P HA 0.081 nan 4.420 nan 0.000 0.269 265 P C -0.021 177.157 177.300 -0.204 0.000 1.209 265 P CA 0.052 62.956 63.100 -0.326 0.000 0.776 265 P CB 0.744 32.135 31.700 -0.515 0.000 0.876 266 E N 0.922 121.047 120.200 -0.125 0.000 2.414 266 E HA 0.241 4.596 4.350 0.008 0.000 0.263 266 E C 1.557 178.123 176.600 -0.057 0.000 1.000 266 E CA 0.943 57.299 56.400 -0.074 0.000 0.914 266 E CB -0.110 29.562 29.700 -0.047 0.000 0.948 266 E HN 0.810 nan 8.360 nan 0.000 0.444 267 G N 2.741 111.529 108.800 -0.020 0.000 2.268 267 G HA2 -0.236 3.729 3.960 0.008 0.000 0.240 267 G HA3 -0.236 3.729 3.960 0.008 0.000 0.240 267 G C 0.201 175.142 174.900 0.067 0.000 1.010 267 G CA 0.038 45.162 45.100 0.039 0.000 0.618 267 G HN 0.344 nan 8.290 nan 0.000 0.516 268 K N 0.539 120.926 120.400 -0.023 0.000 2.205 268 K HA 0.657 4.982 4.320 0.008 0.000 0.279 268 K C 0.032 176.641 176.600 0.015 0.000 1.027 268 K CA -0.560 55.722 56.287 -0.007 0.000 0.932 268 K CB 1.373 33.794 32.500 -0.131 0.000 1.032 268 K HN 0.313 nan 8.250 nan 0.000 0.466 269 I N 2.536 123.146 120.570 0.068 0.000 2.339 269 I HA 0.085 4.260 4.170 0.008 0.000 0.290 269 I C -0.237 175.913 176.117 0.056 0.000 0.994 269 I CA -0.786 60.541 61.300 0.045 0.000 1.191 269 I CB 1.603 39.621 38.000 0.031 0.000 1.343 269 I HN 0.116 nan 8.210 nan 0.000 0.458 270 V N 7.847 127.786 119.914 0.041 0.000 2.470 270 V HA 0.110 4.234 4.120 0.008 0.000 0.276 270 V C 0.125 176.272 176.094 0.088 0.000 1.040 270 V CA -0.284 62.056 62.300 0.067 0.000 1.008 270 V CB 1.006 32.859 31.823 0.050 0.000 0.990 270 V HN 0.354 nan 8.190 nan 0.000 0.477 271 V N 7.364 127.357 119.914 0.131 0.000 2.347 271 V HA 0.512 4.637 4.120 0.008 0.000 0.280 271 V C 0.161 176.395 176.094 0.234 0.000 1.021 271 V CA -0.600 61.786 62.300 0.142 0.000 0.847 271 V CB 1.136 33.044 31.823 0.142 0.000 0.990 271 V HN 1.024 nan 8.190 nan 0.000 0.444 272 K N 3.437 123.943 120.400 0.177 0.000 2.439 272 K HA 0.781 5.106 4.320 0.008 0.000 0.260 272 K C -1.629 175.083 176.600 0.187 0.000 1.032 272 K CA -0.979 55.455 56.287 0.244 0.000 0.882 272 K CB 2.946 35.562 32.500 0.194 0.000 1.420 272 K HN 0.620 nan 8.250 nan 0.000 0.455 273 D N 0.323 120.880 120.400 0.261 0.000 2.601 273 D HA 0.469 5.113 4.640 0.008 0.000 0.230 273 D C -0.951 175.474 176.300 0.208 0.000 1.106 273 D CA -0.712 53.427 54.000 0.232 0.000 0.873 273 D CB 2.477 43.457 40.800 0.301 0.000 1.515 273 D HN 0.580 nan 8.370 nan 0.000 0.468 274 R N 0.838 121.402 120.500 0.107 0.000 2.707 274 R HA 0.465 4.810 4.340 0.008 0.000 0.272 274 R C -0.605 175.496 176.300 -0.331 0.000 1.011 274 R CA -0.903 55.165 56.100 -0.054 0.000 0.893 274 R CB 2.252 32.536 30.300 -0.028 0.000 1.233 274 R HN 0.428 nan 8.270 nan 0.000 0.464 275 I N 2.032 122.415 120.570 -0.312 0.000 2.441 275 I HA 0.054 4.228 4.170 0.008 0.000 0.287 275 I C 1.463 177.395 176.117 -0.308 0.000 1.049 275 I CA 0.177 61.233 61.300 -0.406 0.000 1.381 275 I CB 1.628 39.496 38.000 -0.220 0.000 1.409 275 I HN 0.852 nan 8.210 nan 0.000 0.523 276 A N 5.487 128.116 122.820 -0.319 0.000 1.892 276 A HA -0.234 4.090 4.320 0.008 0.000 0.218 276 A C 1.930 179.421 177.584 -0.155 0.000 1.188 276 A CA 2.084 53.965 52.037 -0.259 0.000 0.631 276 A CB -0.497 18.379 19.000 -0.206 0.000 0.822 276 A HN 0.884 nan 8.150 nan 0.000 0.447 277 D N -0.378 120.006 120.400 -0.026 0.000 2.264 277 D HA -0.157 4.487 4.640 0.008 0.000 0.208 277 D C 1.342 177.711 176.300 0.114 0.000 0.966 277 D CA 1.329 55.414 54.000 0.142 0.000 0.864 277 D CB -0.733 40.127 40.800 0.099 0.000 0.933 277 D HN 0.441 nan 8.370 nan 0.000 0.499 278 N N -0.609 118.074 118.700 -0.028 0.000 2.515 278 N HA -0.058 4.687 4.740 0.008 0.000 0.185 278 N C 1.388 176.827 175.510 -0.118 0.000 1.109 278 N CA 0.221 53.247 53.050 -0.040 0.000 0.903 278 N CB -0.181 38.271 38.487 -0.058 0.000 0.969 278 N HN 0.006 nan 8.380 nan 0.000 0.450 279 M N -0.888 118.543 119.600 -0.282 0.000 2.349 279 M HA 0.214 4.698 4.480 0.008 0.000 0.266 279 M C 0.637 176.638 176.300 -0.498 0.000 1.076 279 M CA 0.919 55.922 55.300 -0.495 0.000 1.126 279 M CB -0.389 31.815 32.600 -0.660 0.000 1.392 279 M HN 0.113 nan 8.290 nan 0.000 0.440 280 F N -0.641 119.249 119.950 -0.101 0.000 2.186 280 F HA -0.178 4.353 4.527 0.006 0.000 0.299 280 F C 2.468 178.246 175.800 -0.037 0.000 1.090 280 F CA 1.096 59.060 58.000 -0.060 0.000 1.307 280 F CB -0.848 38.132 39.000 -0.034 0.000 1.019 280 F HN 0.161 nan 8.300 nan 0.000 0.489 281 Q N 0.299 120.161 119.800 0.102 0.000 1.990 281 Q HA -0.181 4.164 4.340 0.008 0.000 0.200 281 Q C 2.358 178.385 176.000 0.046 0.000 0.980 281 Q CA 1.256 57.101 55.803 0.071 0.000 0.832 281 Q CB -0.488 28.282 28.738 0.055 0.000 0.897 281 Q HN 0.394 nan 8.270 nan 0.000 0.427 282 Q N 0.558 120.351 119.800 -0.012 0.000 2.096 282 Q HA -0.199 4.146 4.340 0.008 0.000 0.208 282 Q C 2.158 178.181 176.000 0.038 0.000 0.993 282 Q CA 1.629 57.436 55.803 0.006 0.000 0.862 282 Q CB -0.659 27.971 28.738 -0.180 0.000 0.915 282 Q HN 0.630 nan 8.270 nan 0.000 0.416 283 I N -3.280 117.246 120.570 -0.073 0.000 3.001 283 I HA -0.098 4.077 4.170 0.008 0.000 0.268 283 I C 1.773 178.003 176.117 0.188 0.000 1.267 283 I CA 0.807 62.147 61.300 0.067 0.000 1.472 283 I CB -0.208 37.790 38.000 -0.003 0.000 1.089 283 I HN 0.002 nan 8.210 nan 0.000 0.468 284 L N 0.789 122.090 121.223 0.130 0.000 2.408 284 L HA 0.074 4.419 4.340 0.008 0.000 0.215 284 L C 2.328 179.275 176.870 0.129 0.000 1.081 284 L CA 1.154 56.068 54.840 0.124 0.000 0.840 284 L CB 0.044 42.158 42.059 0.093 0.000 1.002 284 L HN 0.417 nan 8.230 nan 0.000 0.468 285 T N -4.941 109.691 114.554 0.130 0.000 2.969 285 T HA 0.158 4.513 4.350 0.008 0.000 0.250 285 T C 1.356 176.138 174.700 0.135 0.000 1.021 285 T CA -0.269 61.904 62.100 0.123 0.000 1.003 285 T CB 0.304 69.229 68.868 0.096 0.000 1.040 285 T HN -0.026 nan 8.240 nan 0.000 0.492 286 R N 1.536 122.145 120.500 0.182 0.000 2.690 286 R HA 0.284 4.628 4.340 0.008 0.000 0.419 286 R C 1.738 178.200 176.300 0.270 0.000 1.090 286 R CA 0.453 56.669 56.100 0.194 0.000 1.064 286 R CB -0.216 30.214 30.300 0.216 0.000 1.391 286 R HN 0.506 nan 8.270 nan 0.000 0.586 287 T N 0.700 115.420 114.554 0.276 0.000 2.778 287 T HA -0.176 4.179 4.350 0.008 0.000 0.269 287 T C 1.324 176.241 174.700 0.361 0.000 1.050 287 T CA 2.051 64.383 62.100 0.386 0.000 1.137 287 T CB -0.015 69.034 68.868 0.302 0.000 0.860 287 T HN 0.394 nan 8.240 nan 0.000 0.468 288 D N 0.461 120.975 120.400 0.190 0.000 2.347 288 D HA -0.072 4.573 4.640 0.008 0.000 0.215 288 D C 1.501 177.834 176.300 0.055 0.000 0.976 288 D CA 0.512 54.586 54.000 0.122 0.000 0.884 288 D CB -0.393 40.442 40.800 0.059 0.000 0.915 288 D HN 0.628 nan 8.370 nan 0.000 0.526 289 E N -0.773 119.400 120.200 -0.045 0.000 2.502 289 E HA 0.012 4.367 4.350 0.008 0.000 0.194 289 E C -0.429 175.809 176.600 -0.603 0.000 1.062 289 E CA 0.120 56.322 56.400 -0.330 0.000 0.867 289 E CB 0.151 29.561 29.700 -0.485 0.000 0.888 289 E HN 0.372 nan 8.360 nan 0.000 0.510 290 Y N -0.562 119.819 120.300 0.135 0.000 2.429 290 Y HA 0.266 4.821 4.550 0.008 0.000 0.342 290 Y C 0.236 176.276 175.900 0.235 0.000 1.004 290 Y CA -0.761 57.390 58.100 0.086 0.000 1.075 290 Y CB 1.821 40.188 38.460 -0.155 0.000 1.214 290 Y HN -0.194 nan 8.280 nan 0.000 0.455 291 D N -0.064 120.519 120.400 0.305 0.000 3.000 291 D HA 0.204 4.849 4.640 0.008 0.000 0.190 291 D C -0.973 175.509 176.300 0.303 0.000 1.503 291 D CA 0.064 54.258 54.000 0.322 0.000 1.496 291 D CB 0.520 41.449 40.800 0.215 0.000 1.163 291 D HN 0.186 nan 8.370 nan 0.000 0.231 292 V N 2.710 122.764 119.914 0.233 0.000 2.406 292 V HA 0.369 4.494 4.120 0.008 0.000 0.272 292 V C -0.281 175.909 176.094 0.160 0.000 1.043 292 V CA -0.141 62.297 62.300 0.231 0.000 0.915 292 V CB 0.977 32.929 31.823 0.216 0.000 0.988 292 V HN 0.172 nan 8.190 nan 0.000 0.466 293 I N 4.354 125.018 120.570 0.157 0.000 2.406 293 I HA 0.731 4.905 4.170 0.008 0.000 0.290 293 I C 0.106 176.307 176.117 0.140 0.000 0.999 293 I CA -0.627 60.714 61.300 0.068 0.000 1.124 293 I CB 1.880 39.834 38.000 -0.077 0.000 1.289 293 I HN 0.614 nan 8.210 nan 0.000 0.441 294 A N 8.128 131.016 122.820 0.113 0.000 2.304 294 A HA 0.880 5.204 4.320 0.008 0.000 0.314 294 A C -0.792 176.904 177.584 0.186 0.000 1.187 294 A CA -0.454 51.694 52.037 0.185 0.000 0.810 294 A CB 0.978 20.065 19.000 0.146 0.000 1.183 294 A HN 0.609 nan 8.150 nan 0.000 0.487 295 L N 2.482 123.754 121.223 0.081 0.000 2.376 295 L HA 0.630 4.974 4.340 0.008 0.000 0.258 295 L C -2.595 174.000 176.870 -0.458 0.000 1.013 295 L CA -2.073 52.608 54.840 -0.264 0.000 0.822 295 L CB 1.957 43.878 42.059 -0.231 0.000 1.388 295 L HN 0.427 nan 8.230 nan 0.000 0.413 296 P HA 0.136 nan 4.420 nan 0.000 0.274 296 P C 0.235 177.322 177.300 -0.354 0.000 1.256 296 P CA -0.311 62.444 63.100 -0.576 0.000 0.795 296 P CB 1.077 32.390 31.700 -0.646 0.000 1.038 297 N N 0.178 118.714 118.700 -0.274 0.000 2.011 297 N HA -0.193 4.552 4.740 0.008 0.000 0.199 297 N C 1.657 176.807 175.510 -0.600 0.000 1.047 297 N CA 1.579 54.433 53.050 -0.326 0.000 0.863 297 N CB -1.118 37.218 38.487 -0.252 0.000 1.056 297 N HN 0.341 nan 8.380 nan 0.000 0.427 298 L N 1.381 122.125 121.223 -0.798 0.000 2.027 298 L HA -0.039 4.305 4.340 0.008 0.000 0.206 298 L C 1.724 178.202 176.870 -0.653 0.000 1.074 298 L CA 1.616 55.861 54.840 -0.992 0.000 0.745 298 L CB -0.842 40.720 42.059 -0.829 0.000 0.898 298 L HN 0.130 nan 8.230 nan 0.000 0.433 299 N N 0.506 118.910 118.700 -0.493 0.000 2.104 299 N HA -0.150 4.595 4.740 0.008 0.000 0.190 299 N C 1.818 177.193 175.510 -0.224 0.000 1.024 299 N CA 1.531 54.375 53.050 -0.344 0.000 0.853 299 N CB -0.949 37.346 38.487 -0.320 0.000 1.008 299 N HN 0.579 nan 8.380 nan 0.000 0.424 300 G N 0.733 109.390 108.800 -0.238 0.000 2.440 300 G HA2 -0.295 3.670 3.960 0.008 0.000 0.218 300 G HA3 -0.295 3.670 3.960 0.008 0.000 0.218 300 G C 1.370 176.239 174.900 -0.053 0.000 1.154 300 G CA 1.157 46.172 45.100 -0.141 0.000 0.767 300 G HN 0.322 nan 8.290 nan 0.000 0.552 301 D N -0.574 119.808 120.400 -0.031 0.000 2.084 301 D HA -0.112 4.533 4.640 0.008 0.000 0.196 301 D C 2.182 178.635 176.300 0.255 0.000 0.985 301 D CA 0.690 54.766 54.000 0.127 0.000 0.826 301 D CB -0.300 40.639 40.800 0.231 0.000 0.978 301 D HN 0.266 nan 8.370 nan 0.000 0.456 302 Y N 0.174 120.503 120.300 0.049 0.000 2.128 302 Y HA -0.083 4.471 4.550 0.006 0.000 0.284 302 Y C 2.309 178.322 175.900 0.188 0.000 1.154 302 Y CA 0.642 58.819 58.100 0.129 0.000 1.149 302 Y CB -1.107 37.465 38.460 0.186 0.000 0.976 302 Y HN 0.079 nan 8.280 nan 0.000 0.505 303 L N -0.111 121.258 121.223 0.244 0.000 2.056 303 L HA -0.151 4.193 4.340 0.008 0.000 0.207 303 L C 2.573 179.475 176.870 0.054 0.000 1.078 303 L CA 2.134 57.000 54.840 0.045 0.000 0.749 303 L CB -1.081 40.849 42.059 -0.216 0.000 0.901 303 L HN 0.284 nan 8.230 nan 0.000 0.433 304 S N -1.679 114.048 115.700 0.046 0.000 2.402 304 S HA -0.152 4.322 4.470 0.008 0.000 0.229 304 S C 1.668 176.308 174.600 0.067 0.000 1.021 304 S CA 1.079 59.306 58.200 0.045 0.000 0.974 304 S CB -0.641 62.565 63.200 0.011 0.000 0.800 304 S HN 0.475 nan 8.310 nan 0.000 0.484 305 D N 2.485 122.936 120.400 0.086 0.000 2.144 305 D HA 0.118 4.762 4.640 0.008 0.000 0.200 305 D C 2.217 178.563 176.300 0.076 0.000 0.978 305 D CA 1.414 55.454 54.000 0.065 0.000 0.833 305 D CB -0.689 40.142 40.800 0.051 0.000 0.961 305 D HN 0.580 nan 8.370 nan 0.000 0.470 306 A N 0.594 123.497 122.820 0.138 0.000 2.067 306 A HA 0.104 4.429 4.320 0.008 0.000 0.219 306 A C 2.194 179.866 177.584 0.147 0.000 1.158 306 A CA 1.689 53.828 52.037 0.169 0.000 0.661 306 A CB -0.331 18.891 19.000 0.370 0.000 0.801 306 A HN 0.225 nan 8.150 nan 0.000 0.452 307 A N -0.178 122.727 122.820 0.142 0.000 1.878 307 A HA 0.343 4.668 4.320 0.008 0.000 0.213 307 A C 2.450 180.093 177.584 0.097 0.000 1.192 307 A CA 1.422 53.571 52.037 0.186 0.000 0.619 307 A CB -1.000 18.184 19.000 0.307 0.000 0.837 307 A HN 1.001 nan 8.150 nan 0.000 0.446 308 A N 0.112 122.964 122.820 0.054 0.000 2.032 308 A HA 0.063 4.387 4.320 0.008 0.000 0.221 308 A C 2.361 179.947 177.584 0.002 0.000 1.165 308 A CA 2.131 54.169 52.037 0.003 0.000 0.645 308 A CB -0.841 18.153 19.000 -0.011 0.000 0.807 308 A HN 1.070 nan 8.150 nan 0.000 0.453 309 A N -0.378 122.455 122.820 0.020 0.000 2.014 309 A HA 0.088 4.412 4.320 0.008 0.000 0.218 309 A C 1.998 179.580 177.584 -0.004 0.000 1.163 309 A CA 1.201 53.240 52.037 0.004 0.000 0.652 309 A CB -0.498 18.506 19.000 0.008 0.000 0.808 309 A HN 0.505 nan 8.150 nan 0.000 0.449 310 L N -1.586 119.645 121.223 0.013 0.000 2.275 310 L HA -0.015 4.330 4.340 0.008 0.000 0.215 310 L C 1.531 178.377 176.870 -0.041 0.000 1.119 310 L CA 0.627 55.461 54.840 -0.010 0.000 0.790 310 L CB -0.176 41.892 42.059 0.016 0.000 0.919 310 L HN 0.268 nan 8.230 nan 0.000 0.443 311 I N -1.121 119.444 120.570 -0.007 0.000 4.147 311 I HA 0.262 4.436 4.170 0.008 0.000 0.329 311 I C 1.172 177.344 176.117 0.092 0.000 1.424 311 I CA 0.268 61.606 61.300 0.063 0.000 1.127 311 I CB 0.823 38.844 38.000 0.034 0.000 1.128 311 I HN 0.169 nan 8.210 nan 0.000 0.417 312 G N -0.453 108.359 108.800 0.019 0.000 2.367 312 G HA2 0.210 4.175 3.960 0.008 0.000 0.181 312 G HA3 0.210 4.175 3.960 0.008 0.000 0.181 312 G C 0.754 175.630 174.900 -0.039 0.000 1.000 312 G CA -0.230 44.867 45.100 -0.006 0.000 0.693 312 G HN 1.048 nan 8.290 nan 0.000 0.480 313 G N -1.303 107.476 108.800 -0.034 0.000 2.525 313 G HA2 0.218 4.183 3.960 0.008 0.000 0.685 313 G HA3 0.218 4.183 3.960 0.008 0.000 0.685 313 G C 0.306 175.188 174.900 -0.030 0.000 1.290 313 G CA -0.007 45.073 45.100 -0.033 0.000 0.915 313 G HN 1.157 nan 8.290 nan 0.000 0.548 314 L N 1.546 122.759 121.223 -0.016 0.000 2.201 314 L HA 0.222 4.567 4.340 0.008 0.000 0.212 314 L C 2.990 179.872 176.870 0.019 0.000 1.105 314 L CA 2.975 57.813 54.840 -0.003 0.000 0.775 314 L CB -0.754 41.311 42.059 0.010 0.000 0.913 314 L HN 1.162 nan 8.230 nan 0.000 0.440 315 G N -1.285 107.523 108.800 0.014 0.000 2.615 315 G HA2 -0.192 3.773 3.960 0.008 0.000 0.213 315 G HA3 -0.192 3.773 3.960 0.008 0.000 0.213 315 G C 1.381 176.304 174.900 0.039 0.000 1.135 315 G CA 0.719 45.836 45.100 0.029 0.000 0.772 315 G HN 0.455 nan 8.290 nan 0.000 0.542 316 I N -0.361 120.209 120.570 -0.001 0.000 4.541 316 I HA 0.316 4.490 4.170 0.008 0.000 0.337 316 I C 1.000 177.083 176.117 -0.058 0.000 1.338 316 I CA -0.369 60.913 61.300 -0.029 0.000 1.244 316 I CB 0.848 38.810 38.000 -0.063 0.000 1.417 316 I HN 0.083 nan 8.210 nan 0.000 0.501 317 A N 3.593 126.377 122.820 -0.060 0.000 2.354 317 A HA 0.504 4.829 4.320 0.008 0.000 0.281 317 A C -2.447 175.076 177.584 -0.101 0.000 1.174 317 A CA -1.098 50.879 52.037 -0.101 0.000 0.828 317 A CB -0.450 18.502 19.000 -0.081 0.000 1.099 317 A HN -0.054 nan 8.150 nan 0.000 0.516 318 P HA 0.449 nan 4.420 nan 0.000 0.277 318 P C 0.158 177.419 177.300 -0.066 0.000 1.240 318 P CA 0.124 63.188 63.100 -0.061 0.000 0.798 318 P CB 1.624 33.319 31.700 -0.008 0.000 0.979 319 G N -0.379 108.388 108.800 -0.056 0.000 2.672 319 G HA2 0.559 4.524 3.960 0.008 0.000 0.292 319 G HA3 0.559 4.524 3.960 0.008 0.000 0.292 319 G C -1.621 173.223 174.900 -0.093 0.000 1.375 319 G CA -0.596 44.452 45.100 -0.086 0.000 0.890 319 G HN 0.496 nan 8.290 nan 0.000 0.476 320 S N -0.770 114.808 115.700 -0.203 0.000 2.566 320 S HA 0.560 5.035 4.470 0.008 0.000 0.273 320 S C -1.269 173.078 174.600 -0.421 0.000 1.157 320 S CA -0.730 57.217 58.200 -0.421 0.000 0.938 320 S CB 1.256 64.233 63.200 -0.372 0.000 1.087 320 S HN 0.571 nan 8.310 nan 0.000 0.474 321 N N 3.307 121.703 118.700 -0.507 0.000 2.407 321 N HA 0.616 5.360 4.740 0.008 0.000 0.277 321 N C -1.114 174.102 175.510 -0.491 0.000 0.995 321 N CA -0.536 52.276 53.050 -0.397 0.000 0.903 321 N CB 1.090 39.427 38.487 -0.249 0.000 1.218 321 N HN 0.437 nan 8.380 nan 0.000 0.487 322 I N 0.758 121.059 120.570 -0.449 0.000 2.689 322 I HA 0.648 4.823 4.170 0.008 0.000 0.299 322 I C 0.723 176.517 176.117 -0.538 0.000 1.059 322 I CA -0.622 60.386 61.300 -0.485 0.000 1.055 322 I CB 1.686 39.420 38.000 -0.444 0.000 1.243 322 I HN 0.572 nan 8.210 nan 0.000 0.425 323 G N 3.322 111.877 108.800 -0.407 0.000 3.247 323 G HA2 0.362 4.326 3.960 0.008 0.000 0.226 323 G HA3 0.362 4.326 3.960 0.008 0.000 0.226 323 G C -1.195 173.644 174.900 -0.101 0.000 1.220 323 G CA -0.325 44.560 45.100 -0.357 0.000 0.875 323 G HN 0.483 nan 8.290 nan 0.000 0.606 324 D N 0.783 121.251 120.400 0.114 0.000 2.365 324 D HA 0.412 5.056 4.640 0.008 0.000 0.237 324 D C 1.153 177.272 176.300 -0.303 0.000 1.190 324 D CA 0.978 55.040 54.000 0.104 0.000 0.867 324 D CB 0.708 41.673 40.800 0.275 0.000 1.050 324 D HN 0.952 nan 8.370 nan 0.000 0.491 325 G N 2.819 111.329 108.800 -0.484 0.000 2.283 325 G HA2 -0.276 3.688 3.960 0.008 0.000 0.280 325 G HA3 -0.276 3.688 3.960 0.008 0.000 0.280 325 G C 0.224 174.909 174.900 -0.358 0.000 1.029 325 G CA 0.271 44.794 45.100 -0.962 0.000 0.840 325 G HN 0.572 nan 8.290 nan 0.000 0.505 326 I N -0.914 119.617 120.570 -0.065 0.000 2.775 326 I HA 0.701 4.875 4.170 0.008 0.000 0.295 326 I C -0.053 176.000 176.117 -0.106 0.000 1.287 326 I CA -0.366 60.929 61.300 -0.007 0.000 1.029 326 I CB 2.106 40.082 38.000 -0.040 0.000 1.282 326 I HN 0.396 nan 8.210 nan 0.000 0.426 327 G N 5.581 114.304 108.800 -0.128 0.000 2.759 327 G HA2 0.609 4.574 3.960 0.008 0.000 0.297 327 G HA3 0.609 4.574 3.960 0.008 0.000 0.297 327 G C -2.235 172.455 174.900 -0.350 0.000 1.434 327 G CA -0.391 44.419 45.100 -0.483 0.000 0.980 327 G HN 0.411 nan 8.290 nan 0.000 0.531 328 V N 1.598 121.147 119.914 -0.607 0.000 2.483 328 V HA 0.550 4.675 4.120 0.008 0.000 0.297 328 V C -1.138 174.590 176.094 -0.610 0.000 1.027 328 V CA -0.639 61.456 62.300 -0.341 0.000 0.855 328 V CB 1.266 32.987 31.823 -0.170 0.000 0.995 328 V HN 0.600 nan 8.190 nan 0.000 0.424 329 F N 3.884 123.759 119.950 -0.124 0.000 2.426 329 F HA 0.638 5.172 4.527 0.010 0.000 0.348 329 F C 0.518 176.235 175.800 -0.138 0.000 1.124 329 F CA -0.468 57.456 58.000 -0.127 0.000 1.008 329 F CB 1.498 40.441 39.000 -0.095 0.000 1.139 329 F HN 0.594 nan 8.300 nan 0.000 0.452 330 E N 4.028 124.201 120.200 -0.046 0.000 2.367 330 E HA 0.562 4.917 4.350 0.008 0.000 0.273 330 E C -3.182 173.344 176.600 -0.123 0.000 0.903 330 E CA -2.644 53.696 56.400 -0.099 0.000 0.764 330 E CB 2.662 32.293 29.700 -0.116 0.000 1.252 330 E HN 0.124 nan 8.360 nan 0.000 0.446 331 P HA -0.011 nan 4.420 nan 0.000 0.274 331 P C 0.713 177.833 177.300 -0.300 0.000 1.246 331 P CA -0.480 62.442 63.100 -0.296 0.000 0.795 331 P CB 1.259 32.617 31.700 -0.570 0.000 1.006 332 V N 0.108 119.874 119.914 -0.247 0.000 2.453 332 V HA -0.141 3.984 4.120 0.008 0.000 0.247 332 V C 1.404 177.424 176.094 -0.123 0.000 1.048 332 V CA 1.631 63.842 62.300 -0.149 0.000 1.049 332 V CB -1.978 29.795 31.823 -0.083 0.000 0.672 332 V HN 0.744 nan 8.190 nan 0.000 0.457 333 H N 0.188 119.250 119.070 -0.013 0.000 2.895 333 H HA 0.446 5.006 4.556 0.007 0.000 0.371 333 H C 0.601 175.935 175.328 0.010 0.000 1.219 333 H CA 0.005 56.052 56.048 -0.002 0.000 1.431 333 H CB -0.102 29.656 29.762 -0.006 0.000 1.414 333 H HN 0.148 nan 8.280 nan 0.000 0.617 334 G N -0.617 108.346 108.800 0.270 0.000 2.510 334 G HA2 0.286 4.251 3.960 0.008 0.000 0.280 334 G HA3 0.286 4.251 3.960 0.008 0.000 0.280 334 G C 0.650 175.694 174.900 0.240 0.000 1.386 334 G CA -0.335 44.878 45.100 0.189 0.000 1.047 334 G HN 0.866 nan 8.290 nan 0.000 0.527 335 S N -1.460 114.322 115.700 0.138 0.000 2.548 335 S HA 0.359 4.833 4.470 0.008 0.000 0.215 335 S C 1.471 176.122 174.600 0.085 0.000 0.976 335 S CA 0.967 59.239 58.200 0.120 0.000 0.908 335 S CB -0.164 63.094 63.200 0.096 0.000 0.781 335 S HN 2.042 nan 8.310 nan 0.000 0.519 336 A N 3.036 125.900 122.820 0.074 0.000 1.949 336 A HA -0.098 4.227 4.320 0.008 0.000 0.255 336 A C -0.522 177.103 177.584 0.068 0.000 1.286 336 A CA 0.495 52.578 52.037 0.078 0.000 0.755 336 A CB -1.727 17.357 19.000 0.139 0.000 1.161 336 A HN 0.465 nan 8.150 nan 0.000 0.308 337 P HA -0.226 nan 4.420 nan 0.000 0.218 337 P C 0.645 177.930 177.300 -0.025 0.000 1.132 337 P CA 1.419 64.523 63.100 0.006 0.000 0.968 337 P CB -0.044 31.645 31.700 -0.018 0.000 0.783 338 K N -0.504 119.827 120.400 -0.115 0.000 2.021 338 K HA -0.012 4.312 4.320 0.008 0.000 0.238 338 K C 0.030 176.343 176.600 -0.478 0.000 1.149 338 K CA 0.709 56.836 56.287 -0.266 0.000 1.105 338 K CB -1.193 31.102 32.500 -0.343 0.000 1.246 338 K HN 0.494 nan 8.250 nan 0.000 0.307 339 Y N -1.791 118.488 120.300 -0.035 0.000 3.160 339 Y HA -0.090 4.464 4.550 0.007 0.000 0.358 339 Y C 0.443 176.322 175.900 -0.033 0.000 0.938 339 Y CA -0.394 57.676 58.100 -0.050 0.000 0.911 339 Y CB -0.288 38.147 38.460 -0.043 0.000 1.328 339 Y HN 0.440 nan 8.280 nan 0.000 0.487 340 A N 1.426 124.319 122.820 0.121 0.000 2.573 340 A HA 0.328 4.652 4.320 0.008 0.000 0.250 340 A C 1.628 179.247 177.584 0.058 0.000 1.049 340 A CA 1.838 53.922 52.037 0.078 0.000 0.767 340 A CB -0.766 18.267 19.000 0.054 0.000 0.965 340 A HN 1.408 nan 8.150 nan 0.000 0.514 341 G N 1.416 110.247 108.800 0.052 0.000 2.225 341 G HA2 -0.290 3.675 3.960 0.008 0.000 0.254 341 G HA3 -0.290 3.675 3.960 0.008 0.000 0.254 341 G C 0.767 175.684 174.900 0.028 0.000 0.988 341 G CA 0.582 45.704 45.100 0.036 0.000 0.625 341 G HN 0.837 nan 8.290 nan 0.000 0.527 342 Q N 0.015 119.836 119.800 0.035 0.000 2.435 342 Q HA 0.048 4.392 4.340 0.008 0.000 0.207 342 Q C 1.287 177.283 176.000 -0.006 0.000 0.956 342 Q CA 0.904 56.717 55.803 0.017 0.000 0.917 342 Q CB -0.059 28.700 28.738 0.035 0.000 0.997 342 Q HN 0.815 nan 8.270 nan 0.000 0.497 343 N N 0.178 118.877 118.700 -0.001 0.000 2.747 343 N HA -0.178 4.567 4.740 0.008 0.000 0.249 343 N C 0.365 175.860 175.510 -0.025 0.000 1.107 343 N CA 0.852 53.898 53.050 -0.006 0.000 0.707 343 N CB -0.438 38.048 38.487 -0.001 0.000 1.054 343 N HN 0.135 nan 8.380 nan 0.000 0.555 344 K N -0.853 119.514 120.400 -0.055 0.000 2.306 344 K HA 0.213 4.538 4.320 0.008 0.000 0.200 344 K C 0.603 177.190 176.600 -0.021 0.000 1.083 344 K CA 0.467 56.691 56.287 -0.104 0.000 0.959 344 K CB 0.116 32.435 32.500 -0.302 0.000 0.994 344 K HN 0.149 nan 8.250 nan 0.000 0.492 345 V N 2.789 122.662 119.914 -0.068 0.000 3.139 345 V HA 0.008 4.133 4.120 0.008 0.000 0.307 345 V C -0.068 175.949 176.094 -0.128 0.000 1.095 345 V CA -0.295 61.955 62.300 -0.082 0.000 1.160 345 V CB 0.737 32.485 31.823 -0.126 0.000 1.003 345 V HN 0.275 nan 8.190 nan 0.000 0.489 346 N N 6.209 124.776 118.700 -0.223 0.000 2.420 346 N HA 0.320 5.065 4.740 0.008 0.000 0.262 346 N C -1.727 173.670 175.510 -0.189 0.000 1.144 346 N CA -1.896 50.970 53.050 -0.307 0.000 0.952 346 N CB 1.379 39.648 38.487 -0.364 0.000 1.081 346 N HN 0.544 nan 8.380 nan 0.000 0.480 347 P HA 0.073 nan 4.420 nan 0.000 0.255 347 P C 0.795 178.127 177.300 0.054 0.000 1.248 347 P CA 0.208 63.313 63.100 0.008 0.000 0.807 347 P CB 0.328 32.073 31.700 0.076 0.000 1.150 348 T N 0.797 115.353 114.554 0.003 0.000 2.653 348 T HA -0.213 4.141 4.350 0.008 0.000 0.268 348 T C 1.990 176.724 174.700 0.057 0.000 1.035 348 T CA 2.203 64.354 62.100 0.085 0.000 1.154 348 T CB -0.760 68.113 68.868 0.008 0.000 0.862 348 T HN 0.138 nan 8.240 nan 0.000 0.441 349 A N 1.546 124.390 122.820 0.041 0.000 1.892 349 A HA -0.183 4.142 4.320 0.008 0.000 0.218 349 A C 2.348 179.935 177.584 0.004 0.000 1.188 349 A CA 1.598 53.650 52.037 0.025 0.000 0.631 349 A CB -0.499 18.538 19.000 0.060 0.000 0.822 349 A HN 0.336 nan 8.150 nan 0.000 0.447 350 E N -0.070 120.149 120.200 0.031 0.000 2.051 350 E HA -0.145 4.210 4.350 0.008 0.000 0.192 350 E C 2.043 178.630 176.600 -0.022 0.000 0.991 350 E CA 1.075 57.469 56.400 -0.010 0.000 0.799 350 E CB -0.447 29.249 29.700 -0.006 0.000 0.748 350 E HN 0.707 nan 8.360 nan 0.000 0.449 351 I N 1.035 121.608 120.570 0.004 0.000 2.118 351 I HA -0.336 3.839 4.170 0.008 0.000 0.241 351 I C 2.523 178.627 176.117 -0.021 0.000 1.070 351 I CA 1.187 62.481 61.300 -0.009 0.000 1.327 351 I CB -0.426 37.605 38.000 0.053 0.000 1.034 351 I HN 0.100 nan 8.210 nan 0.000 0.405 352 L N -0.066 121.172 121.223 0.024 0.000 2.131 352 L HA -0.205 4.139 4.340 0.008 0.000 0.210 352 L C 2.592 179.480 176.870 0.030 0.000 1.092 352 L CA 1.479 56.352 54.840 0.055 0.000 0.759 352 L CB -0.978 41.133 42.059 0.087 0.000 0.903 352 L HN 0.328 nan 8.230 nan 0.000 0.435 353 T N -0.340 114.215 114.554 0.001 0.000 2.777 353 T HA -0.101 4.254 4.350 0.008 0.000 0.266 353 T C 1.871 176.537 174.700 -0.056 0.000 1.040 353 T CA 1.265 63.373 62.100 0.013 0.000 1.141 353 T CB -0.432 68.441 68.868 0.008 0.000 0.868 353 T HN 0.555 nan 8.240 nan 0.000 0.444 354 G N 1.252 109.981 108.800 -0.118 0.000 2.440 354 G HA2 -0.118 3.846 3.960 0.008 0.000 0.218 354 G HA3 -0.118 3.846 3.960 0.008 0.000 0.218 354 G C 1.827 176.493 174.900 -0.389 0.000 1.154 354 G CA 0.997 45.943 45.100 -0.258 0.000 0.767 354 G HN 0.576 nan 8.290 nan 0.000 0.552 355 A N 0.436 123.112 122.820 -0.240 0.000 1.883 355 A HA 0.015 4.339 4.320 0.008 0.000 0.217 355 A C 2.372 179.940 177.584 -0.026 0.000 1.186 355 A CA 1.772 53.734 52.037 -0.125 0.000 0.624 355 A CB -0.508 18.482 19.000 -0.017 0.000 0.822 355 A HN 0.462 nan 8.150 nan 0.000 0.444 356 L N -0.703 120.511 121.223 -0.016 0.000 2.046 356 L HA -0.149 4.196 4.340 0.008 0.000 0.208 356 L C 2.504 179.259 176.870 -0.192 0.000 1.077 356 L CA 2.541 57.401 54.840 0.033 0.000 0.747 356 L CB -0.483 41.661 42.059 0.142 0.000 0.896 356 L HN 0.548 nan 8.230 nan 0.000 0.432 357 M N -2.011 117.220 119.600 -0.614 0.000 2.108 357 M HA -0.268 4.217 4.480 0.008 0.000 0.261 357 M C 2.062 178.218 176.300 -0.239 0.000 1.066 357 M CA 1.830 56.490 55.300 -1.067 0.000 1.107 357 M CB -0.197 31.853 32.600 -0.917 0.000 1.356 357 M HN 0.237 nan 8.290 nan 0.000 0.406 358 F N 1.128 120.923 119.950 -0.259 0.000 2.161 358 F HA -0.193 4.338 4.527 0.007 0.000 0.300 358 F C 2.395 178.138 175.800 -0.094 0.000 1.089 358 F CA 1.409 59.322 58.000 -0.143 0.000 1.282 358 F CB -1.129 37.920 39.000 0.082 0.000 1.010 358 F HN 0.307 nan 8.300 nan 0.000 0.485 359 E N -1.214 119.085 120.200 0.165 0.000 2.051 359 E HA -0.272 4.083 4.350 0.008 0.000 0.192 359 E C 2.148 178.818 176.600 0.116 0.000 0.991 359 E CA 1.266 57.751 56.400 0.142 0.000 0.799 359 E CB -0.534 29.284 29.700 0.196 0.000 0.748 359 E HN 0.387 nan 8.360 nan 0.000 0.449 360 Y N 1.872 122.173 120.300 0.001 0.000 2.114 360 Y HA -0.216 4.339 4.550 0.009 0.000 0.282 360 Y C 2.093 177.956 175.900 -0.063 0.000 1.165 360 Y CA 1.857 59.978 58.100 0.036 0.000 1.148 360 Y CB -0.223 38.301 38.460 0.106 0.000 0.972 360 Y HN 0.083 nan 8.280 nan 0.000 0.504 361 I N -2.726 117.698 120.570 -0.244 0.000 3.749 361 I HA 0.333 4.508 4.170 0.008 0.000 0.314 361 I C 1.468 177.311 176.117 -0.457 0.000 1.267 361 I CA 0.867 61.886 61.300 -0.468 0.000 1.169 361 I CB -0.588 37.002 38.000 -0.682 0.000 1.009 361 I HN 0.331 nan 8.210 nan 0.000 0.444 362 G N 0.661 109.316 108.800 -0.241 0.000 2.175 362 G HA2 -0.234 3.731 3.960 0.008 0.000 0.244 362 G HA3 -0.234 3.731 3.960 0.008 0.000 0.244 362 G C -0.205 174.765 174.900 0.117 0.000 0.982 362 G CA -0.066 44.992 45.100 -0.070 0.000 0.641 362 G HN 0.454 nan 8.290 nan 0.000 0.527 363 W N 2.688 123.922 121.300 -0.111 0.000 1.395 363 W HA 0.508 5.174 4.660 0.009 0.000 0.451 363 W C 1.281 177.786 176.519 -0.024 0.000 0.619 363 W CA -0.886 56.381 57.345 -0.130 0.000 2.212 363 W CB -0.677 28.584 29.460 -0.331 0.000 1.537 363 W HN 0.291 nan 8.180 nan 0.000 0.275 364 K N 0.659 121.162 120.400 0.172 0.000 2.057 364 K HA -0.181 4.144 4.320 0.008 0.000 0.207 364 K C 1.658 178.320 176.600 0.103 0.000 1.049 364 K CA 1.866 58.223 56.287 0.117 0.000 0.931 364 K CB -0.035 32.501 32.500 0.059 0.000 0.714 364 K HN 0.282 nan 8.250 nan 0.000 0.440 365 D N 1.224 121.671 120.400 0.079 0.000 2.097 365 D HA -0.176 4.468 4.640 0.008 0.000 0.195 365 D C 1.937 178.282 176.300 0.075 0.000 0.989 365 D CA 1.315 55.343 54.000 0.047 0.000 0.827 365 D CB -0.294 40.511 40.800 0.008 0.000 0.966 365 D HN 0.128 nan 8.370 nan 0.000 0.456 366 A N 1.131 124.022 122.820 0.118 0.000 1.908 366 A HA -0.210 4.115 4.320 0.008 0.000 0.218 366 A C 2.465 180.212 177.584 0.272 0.000 1.181 366 A CA 2.412 54.573 52.037 0.207 0.000 0.627 366 A CB -0.961 18.216 19.000 0.294 0.000 0.818 366 A HN 0.314 nan 8.150 nan 0.000 0.445 367 S N -0.675 115.206 115.700 0.302 0.000 2.365 367 S HA -0.211 4.264 4.470 0.008 0.000 0.225 367 S C 1.984 176.637 174.600 0.087 0.000 1.039 367 S CA 1.758 60.084 58.200 0.210 0.000 1.033 367 S CB -0.399 62.918 63.200 0.196 0.000 0.887 367 S HN 0.581 nan 8.310 nan 0.000 0.447 368 E N 0.642 120.878 120.200 0.059 0.000 2.110 368 E HA -0.099 4.255 4.350 0.008 0.000 0.193 368 E C 2.112 178.713 176.600 0.003 0.000 0.988 368 E CA 0.986 57.388 56.400 0.003 0.000 0.804 368 E CB -0.443 29.254 29.700 -0.005 0.000 0.745 368 E HN 0.595 nan 8.360 nan 0.000 0.458 369 M N 0.248 119.866 119.600 0.029 0.000 2.117 369 M HA -0.175 4.309 4.480 0.008 0.000 0.262 369 M C 2.395 178.702 176.300 0.012 0.000 1.065 369 M CA 1.162 56.472 55.300 0.018 0.000 1.114 369 M CB -0.339 32.278 32.600 0.029 0.000 1.361 369 M HN 0.149 nan 8.290 nan 0.000 0.408 370 I N -0.208 120.380 120.570 0.029 0.000 2.315 370 I HA -0.204 3.970 4.170 0.008 0.000 0.248 370 I C 1.866 177.980 176.117 -0.006 0.000 1.117 370 I CA 1.773 63.075 61.300 0.003 0.000 1.404 370 I CB -0.428 37.561 38.000 -0.017 0.000 1.071 370 I HN 0.091 nan 8.210 nan 0.000 0.419 371 K N 0.560 120.953 120.400 -0.011 0.000 2.026 371 K HA -0.181 4.143 4.320 0.008 0.000 0.208 371 K C 2.173 178.757 176.600 -0.028 0.000 1.048 371 K CA 1.304 57.578 56.287 -0.021 0.000 0.929 371 K CB -0.327 32.100 32.500 -0.121 0.000 0.713 371 K HN 0.143 nan 8.250 nan 0.000 0.439 372 K N 1.291 121.668 120.400 -0.038 0.000 2.032 372 K HA -0.091 4.234 4.320 0.008 0.000 0.209 372 K C 2.005 178.584 176.600 -0.036 0.000 1.048 372 K CA 1.743 58.008 56.287 -0.037 0.000 0.927 372 K CB -0.699 31.782 32.500 -0.032 0.000 0.712 372 K HN 0.161 nan 8.250 nan 0.000 0.441 373 A N 0.210 123.007 122.820 -0.039 0.000 1.908 373 A HA -0.148 4.177 4.320 0.008 0.000 0.218 373 A C 2.484 180.020 177.584 -0.081 0.000 1.181 373 A CA 2.027 54.027 52.037 -0.061 0.000 0.627 373 A CB -0.723 18.239 19.000 -0.064 0.000 0.818 373 A HN 0.110 nan 8.150 nan 0.000 0.445 374 V N -0.146 119.738 119.914 -0.049 0.000 2.307 374 V HA -0.236 3.888 4.120 0.008 0.000 0.245 374 V C 2.466 178.562 176.094 0.004 0.000 1.045 374 V CA 2.087 64.376 62.300 -0.018 0.000 1.024 374 V CB -0.769 31.094 31.823 0.067 0.000 0.651 374 V HN 0.594 nan 8.190 nan 0.000 0.449 375 E N -0.230 119.965 120.200 -0.009 0.000 2.048 375 E HA -0.305 4.050 4.350 0.008 0.000 0.202 375 E C 2.237 178.821 176.600 -0.027 0.000 1.021 375 E CA 2.107 58.489 56.400 -0.030 0.000 0.825 375 E CB -0.274 29.400 29.700 -0.044 0.000 0.756 375 E HN 0.533 nan 8.360 nan 0.000 0.454 376 M N 0.044 119.622 119.600 -0.035 0.000 2.149 376 M HA -0.163 4.322 4.480 0.008 0.000 0.261 376 M C 2.391 178.669 176.300 -0.037 0.000 1.064 376 M CA 1.502 56.781 55.300 -0.035 0.000 1.102 376 M CB -0.395 32.180 32.600 -0.043 0.000 1.369 376 M HN 0.070 nan 8.290 nan 0.000 0.408 377 T N 0.872 115.388 114.554 -0.063 0.000 2.737 377 T HA -0.029 4.326 4.350 0.008 0.000 0.265 377 T C 1.763 176.478 174.700 0.025 0.000 1.038 377 T CA 1.197 63.245 62.100 -0.087 0.000 1.144 377 T CB -0.213 68.482 68.868 -0.289 0.000 0.866 377 T HN 0.302 nan 8.240 nan 0.000 0.434 378 I N 0.780 121.395 120.570 0.075 0.000 2.233 378 I HA -0.122 4.053 4.170 0.008 0.000 0.243 378 I C 2.752 178.901 176.117 0.053 0.000 1.093 378 I CA 0.669 62.039 61.300 0.116 0.000 1.380 378 I CB -0.431 37.632 38.000 0.105 0.000 1.067 378 I HN 0.145 nan 8.210 nan 0.000 0.413 379 S N 0.586 116.296 115.700 0.017 0.000 2.381 379 S HA -0.242 4.233 4.470 0.008 0.000 0.230 379 S C 2.109 176.721 174.600 0.021 0.000 1.052 379 S CA 2.053 60.260 58.200 0.011 0.000 1.068 379 S CB -0.300 62.899 63.200 -0.002 0.000 0.918 379 S HN 0.405 nan 8.310 nan 0.000 0.448 380 S N -0.222 115.490 115.700 0.019 0.000 2.500 380 S HA 0.134 4.609 4.470 0.008 0.000 0.239 380 S C 1.536 176.158 174.600 0.037 0.000 0.989 380 S CA 0.756 58.968 58.200 0.021 0.000 0.951 380 S CB -0.361 62.846 63.200 0.011 0.000 0.759 380 S HN 0.854 nan 8.310 nan 0.000 0.523 381 G N 1.295 110.127 108.800 0.052 0.000 2.147 381 G HA2 -0.212 3.752 3.960 0.008 0.000 0.244 381 G HA3 -0.212 3.752 3.960 0.008 0.000 0.244 381 G C 0.001 174.961 174.900 0.101 0.000 1.005 381 G CA -0.238 44.904 45.100 0.070 0.000 0.713 381 G HN 0.463 nan 8.290 nan 0.000 0.515 382 I N 1.458 122.094 120.570 0.110 0.000 2.347 382 I HA 0.429 4.603 4.170 0.008 0.000 0.294 382 I C 0.786 177.074 176.117 0.284 0.000 1.090 382 I CA -0.375 61.018 61.300 0.155 0.000 1.314 382 I CB 0.147 38.205 38.000 0.098 0.000 1.423 382 I HN 0.343 nan 8.210 nan 0.000 0.503 383 V N 2.652 122.699 119.914 0.222 0.000 2.888 383 V HA 0.643 4.768 4.120 0.008 0.000 0.309 383 V C 0.212 176.312 176.094 0.011 0.000 1.114 383 V CA -0.804 61.567 62.300 0.119 0.000 0.940 383 V CB 1.458 33.333 31.823 0.087 0.000 1.021 383 V HN 0.721 nan 8.190 nan 0.000 0.426 384 T N 0.665 115.099 114.554 -0.199 0.000 2.726 384 T HA 0.290 4.644 4.350 0.008 0.000 0.294 384 T C 1.016 175.642 174.700 -0.123 0.000 1.013 384 T CA 0.612 62.612 62.100 -0.165 0.000 0.996 384 T CB 0.347 69.037 68.868 -0.298 0.000 1.016 384 T HN 1.341 nan 8.240 nan 0.000 0.529 385 Y N 0.653 120.870 120.300 -0.139 0.000 2.315 385 Y HA -0.139 4.416 4.550 0.007 0.000 0.288 385 Y C 1.941 177.826 175.900 -0.024 0.000 1.154 385 Y CA 1.458 59.511 58.100 -0.078 0.000 1.229 385 Y CB -0.942 37.444 38.460 -0.123 0.000 0.980 385 Y HN 0.677 nan 8.280 nan 0.000 0.540 386 D N 0.960 120.737 120.400 -1.038 0.000 2.144 386 D HA -0.209 4.436 4.640 0.008 0.000 0.200 386 D C 1.912 178.045 176.300 -0.280 0.000 0.978 386 D CA 1.613 55.161 54.000 -0.754 0.000 0.833 386 D CB -0.711 39.648 40.800 -0.735 0.000 0.961 386 D HN 0.577 nan 8.370 nan 0.000 0.470 387 I N -0.009 120.438 120.570 -0.206 0.000 2.480 387 I HA -0.158 4.017 4.170 0.008 0.000 0.251 387 I C 2.649 178.773 176.117 0.011 0.000 1.124 387 I CA 0.335 61.589 61.300 -0.076 0.000 1.444 387 I CB -0.329 37.620 38.000 -0.085 0.000 1.098 387 I HN 0.075 nan 8.210 nan 0.000 0.428 388 H N 1.904 120.936 119.070 -0.064 0.000 2.390 388 H HA -0.195 4.366 4.556 0.007 0.000 0.298 388 H C 2.312 177.642 175.328 0.003 0.000 1.106 388 H CA 1.692 57.734 56.048 -0.011 0.000 1.297 388 H CB 0.097 29.865 29.762 0.009 0.000 1.375 388 H HN 0.200 nan 8.280 nan 0.000 0.509 389 R N -0.873 119.677 120.500 0.083 0.000 2.191 389 R HA -0.261 4.084 4.340 0.008 0.000 0.248 389 R C 2.118 178.365 176.300 -0.087 0.000 1.127 389 R CA 2.546 58.658 56.100 0.020 0.000 0.943 389 R CB -0.305 30.022 30.300 0.045 0.000 0.891 389 R HN 0.490 nan 8.270 nan 0.000 0.439 390 H N -2.604 116.426 119.070 -0.066 0.000 2.506 390 H HA 0.148 4.708 4.556 0.008 0.000 0.289 390 H C 1.579 176.861 175.328 -0.075 0.000 1.009 390 H CA 0.725 56.736 56.048 -0.061 0.000 1.303 390 H CB 0.482 30.218 29.762 -0.044 0.000 1.453 390 H HN 0.048 nan 8.280 nan 0.000 0.526 391 M N -0.400 119.217 119.600 0.028 0.000 2.486 391 M HA 0.231 4.715 4.480 0.008 0.000 0.264 391 M C 1.067 177.305 176.300 -0.102 0.000 1.125 391 M CA 0.908 56.200 55.300 -0.014 0.000 1.144 391 M CB -0.295 32.308 32.600 0.006 0.000 1.353 391 M HN 0.389 nan 8.290 nan 0.000 0.466 392 G N 0.092 108.731 108.800 -0.267 0.000 2.750 392 G HA2 0.164 4.129 3.960 0.008 0.000 0.228 392 G HA3 0.164 4.129 3.960 0.008 0.000 0.228 392 G C 0.194 174.961 174.900 -0.222 0.000 1.367 392 G CA -0.165 44.684 45.100 -0.417 0.000 0.871 392 G HN 1.097 nan 8.290 nan 0.000 0.560 393 G N -3.280 105.486 108.800 -0.056 0.000 2.352 393 G HA2 0.454 4.419 3.960 0.008 0.000 0.324 393 G HA3 0.454 4.419 3.960 0.008 0.000 0.324 393 G C -0.182 174.876 174.900 0.264 0.000 1.249 393 G CA 0.427 45.594 45.100 0.112 0.000 1.053 393 G HN 2.068 nan 8.290 nan 0.000 0.492 394 T N 1.854 116.527 114.554 0.198 0.000 2.794 394 T HA 0.427 4.782 4.350 0.008 0.000 0.304 394 T C 0.586 175.345 174.700 0.099 0.000 0.973 394 T CA -0.150 62.033 62.100 0.138 0.000 0.972 394 T CB 0.957 69.876 68.868 0.085 0.000 0.952 394 T HN 0.617 nan 8.240 nan 0.000 0.509 395 K N 3.216 123.558 120.400 -0.097 0.000 2.453 395 K HA 0.261 4.586 4.320 0.008 0.000 0.280 395 K C -0.733 175.818 176.600 -0.082 0.000 1.045 395 K CA 0.103 56.228 56.287 -0.270 0.000 1.059 395 K CB 0.276 32.432 32.500 -0.573 0.000 0.901 395 K HN 0.323 nan 8.250 nan 0.000 0.475 396 V N 2.808 122.712 119.914 -0.018 0.000 3.049 396 V HA 0.403 4.528 4.120 0.008 0.000 0.309 396 V C 0.324 176.438 176.094 0.034 0.000 1.148 396 V CA -0.705 61.614 62.300 0.032 0.000 0.990 396 V CB 2.143 34.028 31.823 0.103 0.000 1.039 396 V HN 1.000 nan 8.190 nan 0.000 0.430 397 G N 1.534 110.354 108.800 0.034 0.000 2.651 397 G HA2 0.337 4.302 3.960 0.008 0.000 0.260 397 G HA3 0.337 4.302 3.960 0.008 0.000 0.260 397 G C 1.033 175.970 174.900 0.062 0.000 1.216 397 G CA 0.619 45.735 45.100 0.028 0.000 0.913 397 G HN 0.773 nan 8.290 nan 0.000 0.535 398 T N 0.371 114.947 114.554 0.037 0.000 2.652 398 T HA -0.170 4.185 4.350 0.008 0.000 0.267 398 T C 2.568 177.328 174.700 0.100 0.000 1.039 398 T CA 1.601 63.733 62.100 0.054 0.000 1.153 398 T CB -0.183 68.696 68.868 0.018 0.000 0.863 398 T HN 0.482 nan 8.240 nan 0.000 0.428 399 R N 1.122 121.658 120.500 0.060 0.000 2.073 399 R HA -0.084 4.261 4.340 0.008 0.000 0.234 399 R C 2.618 178.954 176.300 0.059 0.000 1.134 399 R CA 1.440 57.569 56.100 0.048 0.000 0.952 399 R CB -0.278 30.036 30.300 0.023 0.000 0.850 399 R HN 0.526 nan 8.270 nan 0.000 0.433 400 E N 0.631 120.871 120.200 0.066 0.000 2.204 400 E HA -0.204 4.151 4.350 0.008 0.000 0.194 400 E C 1.804 178.450 176.600 0.076 0.000 0.989 400 E CA 0.925 57.358 56.400 0.054 0.000 0.824 400 E CB -0.551 29.173 29.700 0.041 0.000 0.756 400 E HN 0.364 nan 8.360 nan 0.000 0.477 401 F N 2.386 122.326 119.950 -0.016 0.000 2.075 401 F HA -0.153 4.379 4.527 0.008 0.000 0.297 401 F C 2.540 178.328 175.800 -0.019 0.000 1.113 401 F CA 1.888 59.878 58.000 -0.017 0.000 1.218 401 F CB -0.226 38.762 39.000 -0.019 0.000 0.984 401 F HN 0.076 nan 8.300 nan 0.000 0.472 402 A N 0.129 122.987 122.820 0.063 0.000 1.883 402 A HA -0.213 4.111 4.320 0.008 0.000 0.217 402 A C 2.102 179.622 177.584 -0.105 0.000 1.186 402 A CA 1.847 53.856 52.037 -0.047 0.000 0.624 402 A CB -0.867 18.145 19.000 0.020 0.000 0.822 402 A HN 0.454 nan 8.150 nan 0.000 0.444 403 E N -0.093 120.069 120.200 -0.062 0.000 2.130 403 E HA -0.205 4.150 4.350 0.008 0.000 0.196 403 E C 2.265 178.804 176.600 -0.102 0.000 0.998 403 E CA 1.389 57.751 56.400 -0.062 0.000 0.806 403 E CB -0.588 29.093 29.700 -0.032 0.000 0.738 403 E HN 0.611 nan 8.360 nan 0.000 0.459 404 A N 0.903 123.630 122.820 -0.155 0.000 1.968 404 A HA -0.089 4.236 4.320 0.008 0.000 0.217 404 A C 2.433 179.867 177.584 -0.249 0.000 1.169 404 A CA 1.397 53.319 52.037 -0.190 0.000 0.638 404 A CB -0.472 18.405 19.000 -0.204 0.000 0.812 404 A HN 0.211 nan 8.150 nan 0.000 0.446 405 V N -1.096 118.615 119.914 -0.338 0.000 2.591 405 V HA -0.102 4.022 4.120 0.008 0.000 0.249 405 V C 2.082 178.087 176.094 -0.150 0.000 1.053 405 V CA 2.096 64.230 62.300 -0.277 0.000 1.068 405 V CB -0.562 31.061 31.823 -0.333 0.000 0.689 405 V HN 0.210 nan 8.190 nan 0.000 0.462 406 V N 1.946 121.789 119.914 -0.119 0.000 2.255 406 V HA -0.320 3.805 4.120 0.008 0.000 0.247 406 V C 2.796 178.854 176.094 -0.061 0.000 1.051 406 V CA 2.873 65.132 62.300 -0.068 0.000 1.018 406 V CB -0.913 30.881 31.823 -0.048 0.000 0.641 406 V HN 0.896 nan 8.190 nan 0.000 0.445 407 E N 0.217 120.376 120.200 -0.069 0.000 2.110 407 E HA -0.277 4.078 4.350 0.008 0.000 0.193 407 E C 1.916 178.483 176.600 -0.055 0.000 0.988 407 E CA 1.719 58.087 56.400 -0.054 0.000 0.804 407 E CB -0.357 29.313 29.700 -0.051 0.000 0.745 407 E HN 0.622 nan 8.360 nan 0.000 0.458 408 N N 1.271 119.928 118.700 -0.072 0.000 2.166 408 N HA -0.143 4.602 4.740 0.008 0.000 0.186 408 N C 1.911 177.391 175.510 -0.050 0.000 1.019 408 N CA 0.864 53.876 53.050 -0.064 0.000 0.856 408 N CB -0.440 37.998 38.487 -0.081 0.000 0.993 408 N HN 0.255 nan 8.380 nan 0.000 0.426 409 L N 1.946 123.139 121.223 -0.051 0.000 2.046 409 L HA -0.137 4.208 4.340 0.008 0.000 0.208 409 L C 1.740 178.595 176.870 -0.025 0.000 1.077 409 L CA 1.703 56.524 54.840 -0.032 0.000 0.747 409 L CB -1.000 41.043 42.059 -0.026 0.000 0.896 409 L HN 0.200 nan 8.230 nan 0.000 0.432 410 Q N -1.073 118.711 119.800 -0.028 0.000 2.291 410 Q HA -0.101 4.244 4.340 0.008 0.000 0.205 410 Q C 2.070 178.056 176.000 -0.024 0.000 0.970 410 Q CA 1.536 57.325 55.803 -0.024 0.000 0.876 410 Q CB 0.094 28.818 28.738 -0.023 0.000 0.935 410 Q HN 0.481 nan 8.270 nan 0.000 0.455 411 S N 0.301 115.985 115.700 -0.026 0.000 2.461 411 S HA 0.039 4.513 4.470 0.008 0.000 0.228 411 S C 0.933 175.520 174.600 -0.021 0.000 1.005 411 S CA 0.178 58.364 58.200 -0.023 0.000 0.942 411 S CB 0.041 63.226 63.200 -0.024 0.000 0.776 411 S HN 0.211 nan 8.310 nan 0.000 0.514 412 L N 0.000 121.210 121.223 -0.022 0.000 2.949 412 L HA 0.000 4.345 4.340 0.008 0.000 0.249 412 L CA 0.000 54.828 54.840 -0.020 0.000 0.813 412 L CB 0.000 42.047 42.059 -0.020 0.000 0.961 412 L HN 0.000 nan 8.230 nan 0.000 0.502