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 1cow_1_E DATA FIRST_RESID 9 DATA SEQUENCE TTGRIVAVIG AVVDVQFDEG LPPILNALEV QGRETRLVLE VAQHLGESTV DATA SEQUENCE RTIAMDGTEG LVRGQKVLDS GAPIRIPVGP ETLGRIMNVI GEPIDERGPI DATA SEQUENCE KTKQFAAIHA EAPEFVEMSV EQEILVTGIK VVDLLAPYAK GGKIGLFGGA DATA SEQUENCE GVGKTVLIME LINNVAKAHG GYSVFAGVGE RTREGNDLYH EMIESGVINL DATA SEQUENCE KDATSKVALV YGQMNEPPGA RARVALTGLT VAEYFRDQEG QDVLLFIDNI DATA SEQUENCE FRFTQAGSEV SALLGRIPSA VGYQPTLATD MGTMQERITT TKKGSITSVQ DATA SEQUENCE AIYVPADDLT DPAPATTFAH LDATTVLSRA IAELGIYPAV DPLDSTSRIM DATA SEQUENCE DPNIVGSEHY DVARGVQKIL QDYKSLQDII AILGMDELSE EDKLTVSRAR DATA SEQUENCE KIQRFLSQPF QVAEVFTGHL GKLVPLKETI KGFQQILAGE YDHLPEQAFY DATA SEQUENCE MVGPIEEAVA KADKLA 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 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.863 174.700 0.272 0.000 1.109 9 T CA 0.000 62.222 62.100 0.203 0.000 1.349 9 T CB 0.000 69.008 68.868 0.234 0.000 0.612 10 T N 2.290 116.956 114.554 0.187 0.000 2.842 10 T HA 0.707 5.057 4.350 0.000 0.000 0.308 10 T C 0.680 175.258 174.700 -0.202 0.000 1.041 10 T CA -0.564 61.558 62.100 0.036 0.000 0.964 10 T CB 1.205 70.075 68.868 0.003 0.000 0.972 10 T HN 1.054 nan 8.240 nan 0.000 0.460 11 G N 2.458 110.878 108.800 -0.634 0.000 2.491 11 G HA2 0.706 4.667 3.960 0.000 0.000 0.327 11 G HA3 0.706 4.667 3.960 0.000 0.000 0.327 11 G C -0.509 174.060 174.900 -0.552 0.000 1.189 11 G CA -0.942 43.467 45.100 -1.151 0.000 0.956 11 G HN 0.576 nan 8.290 nan 0.000 0.491 12 R N -0.957 119.281 120.500 -0.437 0.000 2.828 12 R HA 0.494 4.834 4.340 0.000 0.000 0.264 12 R C -0.447 175.735 176.300 -0.196 0.000 1.022 12 R CA -0.870 55.088 56.100 -0.237 0.000 1.021 12 R CB 2.012 32.217 30.300 -0.159 0.000 1.163 12 R HN 0.315 nan 8.270 nan 0.000 0.494 13 I N 2.417 122.916 120.570 -0.118 0.000 2.325 13 I HA 0.031 4.201 4.170 0.000 0.000 0.291 13 I C 1.335 177.417 176.117 -0.059 0.000 1.019 13 I CA -0.168 61.086 61.300 -0.077 0.000 1.302 13 I CB 1.608 39.577 38.000 -0.051 0.000 1.401 13 I HN 0.564 nan 8.210 nan 0.000 0.485 14 V N 3.293 123.180 119.914 -0.045 0.000 2.949 14 V HA 0.495 4.616 4.120 0.000 0.000 0.245 14 V C 0.686 176.767 176.094 -0.020 0.000 1.086 14 V CA 0.379 62.660 62.300 -0.032 0.000 1.097 14 V CB 0.007 31.814 31.823 -0.026 0.000 0.762 14 V HN 0.712 nan 8.190 nan 0.000 0.470 15 A N -0.518 122.293 122.820 -0.015 0.000 2.574 15 A HA 0.797 5.117 4.320 0.000 0.000 0.297 15 A C -1.331 176.249 177.584 -0.006 0.000 1.062 15 A CA -0.384 51.647 52.037 -0.009 0.000 0.686 15 A CB 2.213 21.210 19.000 -0.005 0.000 1.285 15 A HN 0.449 nan 8.150 nan 0.000 0.403 16 V N 2.180 122.091 119.914 -0.005 0.000 2.524 16 V HA 0.471 4.591 4.120 0.000 0.000 0.297 16 V C -0.942 175.150 176.094 -0.003 0.000 1.035 16 V CA 0.028 62.326 62.300 -0.003 0.000 0.867 16 V CB 1.320 33.140 31.823 -0.005 0.000 1.004 16 V HN 0.699 nan 8.190 nan 0.000 0.426 17 I N 4.886 125.455 120.570 -0.001 0.000 2.563 17 I HA 0.631 4.801 4.170 0.000 0.000 0.276 17 I C 0.951 177.067 176.117 -0.001 0.000 1.074 17 I CA 0.243 61.542 61.300 -0.001 0.000 1.124 17 I CB 1.237 39.236 38.000 -0.001 0.000 1.225 17 I HN 0.868 nan 8.210 nan 0.000 0.482 18 G N 4.522 113.321 108.800 -0.002 0.000 2.531 18 G HA2 -0.285 3.675 3.960 0.000 0.000 0.274 18 G HA3 -0.285 3.675 3.960 0.000 0.000 0.274 18 G C 0.527 175.426 174.900 -0.001 0.000 1.159 18 G CA 0.155 45.254 45.100 -0.002 0.000 0.969 18 G HN 0.865 nan 8.290 nan 0.000 0.554 19 A N -0.593 122.227 122.820 -0.001 0.000 2.734 19 A HA 0.629 4.949 4.320 0.000 0.000 0.279 19 A C 0.151 177.738 177.584 0.005 0.000 1.386 19 A CA 0.878 52.916 52.037 0.002 0.000 0.987 19 A CB -0.105 18.896 19.000 0.001 0.000 1.041 19 A HN 1.586 nan 8.150 nan 0.000 0.569 20 V N 0.844 120.761 119.914 0.005 0.000 2.462 20 V HA 0.268 4.388 4.120 0.000 0.000 0.288 20 V C -0.686 175.415 176.094 0.010 0.000 1.020 20 V CA -0.488 61.817 62.300 0.009 0.000 0.857 20 V CB 1.737 33.564 31.823 0.007 0.000 1.013 20 V HN 0.181 nan 8.190 nan 0.000 0.431 21 V N 3.340 123.263 119.914 0.016 0.000 2.435 21 V HA 0.571 4.691 4.120 0.000 0.000 0.290 21 V C -0.556 175.551 176.094 0.022 0.000 1.030 21 V CA -0.675 61.634 62.300 0.015 0.000 0.881 21 V CB 2.009 33.840 31.823 0.014 0.000 0.983 21 V HN 0.730 nan 8.190 nan 0.000 0.445 22 D N 2.864 123.272 120.400 0.014 0.000 2.217 22 D HA 0.621 5.261 4.640 0.000 0.000 0.243 22 D C -0.652 175.654 176.300 0.010 0.000 1.054 22 D CA -0.048 53.964 54.000 0.019 0.000 0.838 22 D CB 2.143 42.950 40.800 0.012 0.000 1.162 22 D HN 0.301 nan 8.370 nan 0.000 0.472 23 V N 2.305 122.239 119.914 0.033 0.000 2.656 23 V HA 0.359 4.479 4.120 0.000 0.000 0.307 23 V C -0.230 175.874 176.094 0.017 0.000 1.051 23 V CA -0.908 61.388 62.300 -0.006 0.000 0.893 23 V CB 2.010 33.852 31.823 0.032 0.000 0.999 23 V HN 0.401 nan 8.190 nan 0.000 0.426 24 Q N 3.079 122.810 119.800 -0.114 0.000 2.325 24 Q HA 0.586 4.926 4.340 0.000 0.000 0.262 24 Q C -1.859 174.014 176.000 -0.212 0.000 0.968 24 Q CA -0.463 55.304 55.803 -0.060 0.000 0.877 24 Q CB 1.256 29.963 28.738 -0.051 0.000 1.253 24 Q HN 0.621 nan 8.270 nan 0.000 0.448 25 F N 2.244 122.165 119.950 -0.048 0.000 2.422 25 F HA 0.255 4.782 4.527 0.000 0.000 0.333 25 F C 1.022 176.803 175.800 -0.032 0.000 1.095 25 F CA -0.504 57.473 58.000 -0.039 0.000 1.038 25 F CB 1.443 40.415 39.000 -0.047 0.000 1.156 25 F HN 0.627 nan 8.300 nan 0.000 0.483 26 D N 1.328 121.807 120.400 0.131 0.000 2.146 26 D HA -0.032 4.608 4.640 0.000 0.000 0.209 26 D C -0.211 176.138 176.300 0.081 0.000 0.973 26 D CA 1.276 55.319 54.000 0.072 0.000 0.860 26 D CB 0.228 41.047 40.800 0.032 0.000 1.015 26 D HN 0.578 nan 8.370 nan 0.000 0.465 27 E N -0.524 119.734 120.200 0.095 0.000 2.222 27 E HA 0.514 4.864 4.350 0.000 0.000 0.267 27 E C -0.395 176.251 176.600 0.076 0.000 0.884 27 E CA -0.643 55.797 56.400 0.067 0.000 0.764 27 E CB 2.358 32.086 29.700 0.047 0.000 1.169 27 E HN 0.170 nan 8.360 nan 0.000 0.413 28 G N 2.142 110.960 108.800 0.030 0.000 3.320 28 G HA2 -0.214 3.746 3.960 0.000 0.000 0.430 28 G HA3 -0.214 3.746 3.960 0.000 0.000 0.430 28 G C -1.018 173.805 174.900 -0.128 0.000 0.806 28 G CA -0.671 44.415 45.100 -0.023 0.000 0.746 28 G HN 0.296 nan 8.290 nan 0.000 0.414 29 L N 6.171 127.284 121.223 -0.183 0.000 2.264 29 L HA 0.599 4.939 4.340 0.000 0.000 0.289 29 L C -1.476 175.189 176.870 -0.341 0.000 1.044 29 L CA -2.162 52.447 54.840 -0.384 0.000 0.807 29 L CB 1.055 42.947 42.059 -0.279 0.000 1.192 29 L HN 0.421 nan 8.230 nan 0.000 0.425 30 P HA 0.137 nan 4.420 nan 0.000 0.263 30 P C -2.581 174.745 177.300 0.043 0.000 1.195 30 P CA -0.925 62.019 63.100 -0.259 0.000 0.762 30 P CB -0.249 31.265 31.700 -0.310 0.000 0.799 31 P HA 0.070 nan 4.420 nan 0.000 0.272 31 P C 0.343 177.668 177.300 0.041 0.000 1.248 31 P CA -0.073 63.048 63.100 0.036 0.000 0.799 31 P CB 0.659 32.337 31.700 -0.038 0.000 0.997 32 I N 1.023 121.537 120.570 -0.093 0.000 2.648 32 I HA -0.058 4.112 4.170 0.000 0.000 0.284 32 I C 1.494 177.575 176.117 -0.060 0.000 1.153 32 I CA 0.680 61.942 61.300 -0.063 0.000 1.426 32 I CB -0.294 37.627 38.000 -0.132 0.000 1.381 32 I HN 0.400 nan 8.210 nan 0.000 0.571 33 L N 2.138 123.336 121.223 -0.041 0.000 2.804 33 L HA -0.222 4.118 4.340 0.000 0.000 0.451 33 L C 0.284 177.186 176.870 0.054 0.000 0.725 33 L CA -0.039 54.773 54.840 -0.047 0.000 2.793 33 L CB -1.363 40.590 42.059 -0.177 0.000 0.947 33 L HN 0.633 nan 8.230 nan 0.000 0.660 34 N N 1.103 119.826 118.700 0.039 0.000 2.381 34 N HA 0.467 5.207 4.740 0.000 0.000 0.241 34 N C 0.184 175.734 175.510 0.067 0.000 1.279 34 N CA 0.985 54.065 53.050 0.050 0.000 0.896 34 N CB 0.699 39.199 38.487 0.021 0.000 1.118 34 N HN 0.317 nan 8.380 nan 0.000 0.438 35 A N 1.899 124.760 122.820 0.067 0.000 2.288 35 A HA 0.588 4.908 4.320 0.000 0.000 0.320 35 A C -0.549 177.078 177.584 0.071 0.000 1.217 35 A CA -0.652 51.426 52.037 0.068 0.000 0.840 35 A CB 0.195 19.229 19.000 0.057 0.000 1.179 35 A HN 0.563 nan 8.150 nan 0.000 0.504 36 L N 1.941 123.214 121.223 0.083 0.000 2.331 36 L HA 0.542 4.882 4.340 0.000 0.000 0.275 36 L C -0.171 176.746 176.870 0.077 0.000 1.022 36 L CA -0.839 54.065 54.840 0.105 0.000 0.812 36 L CB 1.568 43.719 42.059 0.154 0.000 1.257 36 L HN 0.607 nan 8.230 nan 0.000 0.435 37 E N 2.067 122.310 120.200 0.072 0.000 2.166 37 E HA 0.357 4.707 4.350 0.000 0.000 0.275 37 E C -0.844 175.778 176.600 0.037 0.000 0.941 37 E CA -0.631 55.797 56.400 0.048 0.000 0.784 37 E CB 2.828 32.554 29.700 0.044 0.000 1.115 37 E HN 0.207 nan 8.360 nan 0.000 0.399 38 V N 3.575 123.504 119.914 0.025 0.000 2.546 38 V HA 0.050 4.170 4.120 0.000 0.000 0.284 38 V C 0.405 176.503 176.094 0.007 0.000 1.050 38 V CA -0.663 61.644 62.300 0.011 0.000 0.981 38 V CB 1.129 32.956 31.823 0.008 0.000 0.990 38 V HN 0.473 nan 8.190 nan 0.000 0.474 39 Q N 2.650 122.449 119.800 -0.002 0.000 2.267 39 Q HA 0.451 4.791 4.340 0.000 0.000 0.255 39 Q C 0.889 176.886 176.000 -0.005 0.000 0.923 39 Q CA 0.498 56.299 55.803 -0.002 0.000 0.925 39 Q CB 1.248 29.981 28.738 -0.008 0.000 1.195 39 Q HN 1.190 nan 8.270 nan 0.000 0.417 40 G N 2.954 111.754 108.800 -0.001 0.000 2.370 40 G HA2 -0.246 3.714 3.960 0.000 0.000 0.268 40 G HA3 -0.246 3.714 3.960 0.000 0.000 0.268 40 G C -0.286 174.613 174.900 -0.001 0.000 1.122 40 G CA -0.274 44.825 45.100 -0.002 0.000 0.963 40 G HN 0.458 nan 8.290 nan 0.000 0.500 41 R N -0.382 120.119 120.500 0.001 0.000 2.575 41 R HA 0.327 4.667 4.340 0.000 0.000 0.293 41 R C 1.114 177.416 176.300 0.003 0.000 0.983 41 R CA -0.954 55.147 56.100 0.002 0.000 0.887 41 R CB 1.104 31.405 30.300 0.002 0.000 1.184 41 R HN 0.131 nan 8.270 nan 0.000 0.445 42 E N 0.691 120.893 120.200 0.003 0.000 2.200 42 E HA -0.225 4.125 4.350 0.000 0.000 0.211 42 E C 0.672 177.275 176.600 0.004 0.000 1.048 42 E CA 2.266 58.668 56.400 0.004 0.000 0.851 42 E CB 0.154 29.856 29.700 0.003 0.000 0.747 42 E HN 0.726 nan 8.360 nan 0.000 0.462 43 T N -3.054 111.502 114.554 0.004 0.000 2.888 43 T HA 0.523 4.873 4.350 0.000 0.000 0.288 43 T C -0.026 174.677 174.700 0.005 0.000 1.063 43 T CA -0.943 61.160 62.100 0.005 0.000 1.010 43 T CB 2.162 71.033 68.868 0.004 0.000 1.214 43 T HN -0.066 nan 8.240 nan 0.000 0.533 44 R N 0.419 120.922 120.500 0.005 0.000 2.370 44 R HA 0.412 4.752 4.340 0.000 0.000 0.309 44 R C -1.129 175.175 176.300 0.007 0.000 1.059 44 R CA -0.506 55.597 56.100 0.006 0.000 0.981 44 R CB -0.141 30.161 30.300 0.004 0.000 0.972 44 R HN 0.517 nan 8.270 nan 0.000 0.437 45 L N 6.156 127.385 121.223 0.011 0.000 2.318 45 L HA 0.325 4.665 4.340 0.000 0.000 0.277 45 L C -1.216 175.666 176.870 0.019 0.000 1.008 45 L CA -0.446 54.401 54.840 0.013 0.000 0.846 45 L CB 1.742 43.808 42.059 0.011 0.000 1.220 45 L HN 0.326 nan 8.230 nan 0.000 0.423 46 V N 6.172 126.098 119.914 0.020 0.000 2.394 46 V HA 0.407 4.527 4.120 0.000 0.000 0.282 46 V C 0.058 176.173 176.094 0.034 0.000 1.031 46 V CA -0.551 61.766 62.300 0.028 0.000 0.881 46 V CB 1.604 33.440 31.823 0.023 0.000 0.982 46 V HN 0.499 nan 8.190 nan 0.000 0.451 47 L N 4.660 125.910 121.223 0.046 0.000 2.280 47 L HA 0.519 4.859 4.340 0.000 0.000 0.287 47 L C 0.308 177.215 176.870 0.063 0.000 1.023 47 L CA -0.239 54.632 54.840 0.051 0.000 0.819 47 L CB 1.478 43.572 42.059 0.059 0.000 1.212 47 L HN 0.707 nan 8.230 nan 0.000 0.420 48 E N 2.715 122.952 120.200 0.062 0.000 2.343 48 E HA 0.323 4.673 4.350 0.000 0.000 0.269 48 E C -0.919 175.720 176.600 0.066 0.000 1.047 48 E CA -0.686 55.759 56.400 0.075 0.000 0.874 48 E CB 1.659 31.416 29.700 0.096 0.000 1.033 48 E HN 0.287 nan 8.360 nan 0.000 0.409 49 V N 3.369 123.321 119.914 0.064 0.000 2.649 49 V HA 0.307 4.427 4.120 0.000 0.000 0.292 49 V C 0.711 176.831 176.094 0.042 0.000 1.055 49 V CA 0.761 63.099 62.300 0.064 0.000 1.023 49 V CB 1.090 32.959 31.823 0.077 0.000 0.992 49 V HN 0.916 nan 8.190 nan 0.000 0.480 50 A N 3.740 126.591 122.820 0.052 0.000 2.048 50 A HA 0.408 4.728 4.320 0.000 0.000 0.197 50 A C 0.506 178.111 177.584 0.036 0.000 1.486 50 A CA 0.084 52.136 52.037 0.024 0.000 1.029 50 A CB 0.535 19.546 19.000 0.018 0.000 1.101 50 A HN 0.750 nan 8.150 nan 0.000 0.470 51 Q N -0.970 118.885 119.800 0.091 0.000 2.482 51 Q HA 0.371 4.711 4.340 0.000 0.000 0.286 51 Q C -1.675 174.474 176.000 0.248 0.000 1.007 51 Q CA -0.590 55.281 55.803 0.114 0.000 0.801 51 Q CB 1.783 30.560 28.738 0.065 0.000 1.455 51 Q HN 0.561 nan 8.270 nan 0.000 0.398 52 H N 2.249 121.315 119.070 -0.007 0.000 2.643 52 H HA 0.229 4.785 4.556 0.000 0.000 0.259 52 H C 0.624 175.955 175.328 0.004 0.000 1.298 52 H CA -0.177 55.870 56.048 -0.003 0.000 1.301 52 H CB 0.548 30.302 29.762 -0.014 0.000 1.422 52 H HN 0.458 nan 8.280 nan 0.000 0.521 53 L N 2.035 123.306 121.223 0.079 0.000 2.551 53 L HA -0.033 4.307 4.340 0.000 0.000 0.230 53 L C 1.215 178.108 176.870 0.038 0.000 1.163 53 L CA 0.714 55.583 54.840 0.048 0.000 0.826 53 L CB -0.556 41.520 42.059 0.028 0.000 0.943 53 L HN 0.743 nan 8.230 nan 0.000 0.452 54 G N 0.423 109.246 108.800 0.038 0.000 2.722 54 G HA2 -0.188 3.772 3.960 0.000 0.000 0.686 54 G HA3 -0.188 3.772 3.960 0.000 0.000 0.686 54 G C 0.061 174.968 174.900 0.012 0.000 1.282 54 G CA -0.246 44.871 45.100 0.029 0.000 0.817 54 G HN 0.426 nan 8.290 nan 0.000 0.605 55 E N -0.533 119.674 120.200 0.011 0.000 2.645 55 E HA -0.169 4.181 4.350 0.000 0.000 0.282 55 E C 1.010 177.614 176.600 0.008 0.000 1.013 55 E CA 1.056 57.462 56.400 0.009 0.000 0.842 55 E CB -1.623 28.082 29.700 0.009 0.000 1.396 55 E HN 2.125 nan 8.360 nan 0.000 0.404 56 S N -1.973 113.727 115.700 -0.000 0.000 3.561 56 S HA -0.209 4.261 4.470 0.000 0.000 0.318 56 S C 0.065 174.681 174.600 0.027 0.000 1.181 56 S CA 1.501 59.707 58.200 0.010 0.000 0.916 56 S CB -1.051 62.173 63.200 0.041 0.000 0.966 56 S HN 0.433 nan 8.310 nan 0.000 0.550 57 T N 1.359 115.906 114.554 -0.011 0.000 2.861 57 T HA 0.642 4.992 4.350 0.000 0.000 0.287 57 T C 0.196 174.876 174.700 -0.033 0.000 1.003 57 T CA -0.373 61.736 62.100 0.015 0.000 0.977 57 T CB 1.949 70.826 68.868 0.015 0.000 0.996 57 T HN 0.499 nan 8.240 nan 0.000 0.448 58 V N 1.165 121.087 119.914 0.013 0.000 2.769 58 V HA 0.769 4.889 4.120 0.000 0.000 0.312 58 V C -0.216 175.909 176.094 0.051 0.000 1.058 58 V CA -1.364 60.934 62.300 -0.003 0.000 0.952 58 V CB 1.619 33.442 31.823 0.001 0.000 1.019 58 V HN 0.857 nan 8.190 nan 0.000 0.445 59 R N 2.237 122.773 120.500 0.059 0.000 2.310 59 R HA 0.668 5.008 4.340 0.000 0.000 0.324 59 R C -0.139 176.194 176.300 0.056 0.000 0.955 59 R CA 0.172 56.302 56.100 0.050 0.000 0.830 59 R CB 1.257 31.582 30.300 0.040 0.000 1.154 59 R HN 1.143 nan 8.270 nan 0.000 0.458 60 T N 1.905 116.491 114.554 0.052 0.000 2.942 60 T HA 0.565 4.915 4.350 0.000 0.000 0.289 60 T C 0.264 174.986 174.700 0.037 0.000 1.044 60 T CA -1.028 61.103 62.100 0.052 0.000 1.023 60 T CB 1.213 70.119 68.868 0.063 0.000 1.123 60 T HN 0.571 nan 8.240 nan 0.000 0.512 61 I N -0.272 120.320 120.570 0.036 0.000 2.389 61 I HA 0.794 4.964 4.170 0.000 0.000 0.288 61 I C 0.260 176.394 176.117 0.029 0.000 0.999 61 I CA -1.431 59.885 61.300 0.027 0.000 1.129 61 I CB 1.112 39.125 38.000 0.022 0.000 1.288 61 I HN 0.878 nan 8.210 nan 0.000 0.444 62 A N 7.088 129.921 122.820 0.022 0.000 2.483 62 A HA 0.390 4.710 4.320 0.000 0.000 0.238 62 A C 0.849 178.444 177.584 0.019 0.000 1.070 62 A CA -0.211 51.839 52.037 0.021 0.000 0.770 62 A CB 0.377 19.386 19.000 0.014 0.000 1.008 62 A HN 0.892 nan 8.150 nan 0.000 0.497 63 M N 0.556 120.167 119.600 0.020 0.000 2.428 63 M HA 0.212 4.692 4.480 0.000 0.000 0.239 63 M C -0.126 176.181 176.300 0.012 0.000 1.121 63 M CA 0.542 55.852 55.300 0.017 0.000 1.019 63 M CB -1.134 31.476 32.600 0.018 0.000 1.485 63 M HN 0.876 nan 8.290 nan 0.000 0.484 64 D N -1.163 119.244 120.400 0.011 0.000 2.671 64 D HA 0.447 5.087 4.640 0.000 0.000 0.273 64 D C -0.346 175.958 176.300 0.006 0.000 1.264 64 D CA -0.288 53.717 54.000 0.008 0.000 0.788 64 D CB 1.150 41.955 40.800 0.007 0.000 1.324 64 D HN 0.125 nan 8.370 nan 0.000 0.424 65 G N -0.092 108.711 108.800 0.004 0.000 2.138 65 G HA2 0.205 4.165 3.960 0.000 0.000 0.244 65 G HA3 0.205 4.165 3.960 0.000 0.000 0.244 65 G C 0.987 175.888 174.900 0.003 0.000 1.166 65 G CA 0.714 45.816 45.100 0.003 0.000 0.902 65 G HN 0.511 nan 8.290 nan 0.000 0.460 66 T N -0.444 114.112 114.554 0.002 0.000 3.219 66 T HA 0.090 4.440 4.350 0.000 0.000 0.249 66 T C 1.523 176.223 174.700 -0.000 0.000 1.099 66 T CA 0.759 62.860 62.100 0.002 0.000 0.988 66 T CB -0.109 68.760 68.868 0.002 0.000 0.999 66 T HN 0.684 nan 8.240 nan 0.000 0.550 67 E N 1.911 122.111 120.200 -0.000 0.000 2.196 67 E HA -0.207 4.143 4.350 0.000 0.000 0.222 67 E C 1.847 178.446 176.600 -0.002 0.000 1.072 67 E CA 1.784 58.184 56.400 -0.001 0.000 0.902 67 E CB -0.695 29.005 29.700 -0.000 0.000 0.780 67 E HN 0.659 nan 8.360 nan 0.000 0.467 68 G N -0.111 108.688 108.800 -0.002 0.000 3.735 68 G HA2 0.325 4.285 3.960 0.000 0.000 0.283 68 G HA3 0.325 4.285 3.960 0.000 0.000 0.283 68 G C 0.064 174.960 174.900 -0.005 0.000 1.007 68 G CA -0.511 44.587 45.100 -0.004 0.000 0.821 68 G HN -0.059 nan 8.290 nan 0.000 0.505 69 L N 0.817 122.036 121.223 -0.006 0.000 2.499 69 L HA 0.250 4.590 4.340 0.000 0.000 0.281 69 L C -0.040 176.823 176.870 -0.011 0.000 1.234 69 L CA 0.113 54.948 54.840 -0.009 0.000 0.839 69 L CB 0.959 43.013 42.059 -0.008 0.000 1.104 69 L HN -0.160 nan 8.230 nan 0.000 0.500 70 V N 2.449 122.354 119.914 -0.015 0.000 2.638 70 V HA 0.337 4.457 4.120 0.000 0.000 0.306 70 V C 0.029 176.110 176.094 -0.022 0.000 1.052 70 V CA -0.876 61.414 62.300 -0.017 0.000 0.885 70 V CB 1.916 33.729 31.823 -0.016 0.000 0.999 70 V HN 0.650 nan 8.190 nan 0.000 0.424 71 R N 2.485 122.973 120.500 -0.022 0.000 2.502 71 R HA 0.396 4.736 4.340 0.000 0.000 0.292 71 R C 1.310 177.591 176.300 -0.032 0.000 0.998 71 R CA 1.184 57.268 56.100 -0.027 0.000 1.056 71 R CB 0.099 30.386 30.300 -0.022 0.000 0.939 71 R HN 1.200 nan 8.270 nan 0.000 0.411 72 G N 1.941 110.715 108.800 -0.044 0.000 2.259 72 G HA2 -0.306 3.654 3.960 0.000 0.000 0.217 72 G HA3 -0.306 3.654 3.960 0.000 0.000 0.217 72 G C 0.238 175.105 174.900 -0.055 0.000 1.001 72 G CA -0.033 45.037 45.100 -0.049 0.000 0.627 72 G HN 0.593 nan 8.290 nan 0.000 0.501 73 Q N 1.421 121.192 119.800 -0.047 0.000 2.352 73 Q HA 0.335 4.675 4.340 0.000 0.000 0.326 73 Q C 0.327 176.288 176.000 -0.064 0.000 1.135 73 Q CA 0.785 56.561 55.803 -0.045 0.000 1.000 73 Q CB 0.266 28.984 28.738 -0.034 0.000 1.237 73 Q HN 0.489 nan 8.270 nan 0.000 0.409 74 K N 1.735 122.101 120.400 -0.057 0.000 2.205 74 K HA 0.405 4.725 4.320 0.000 0.000 0.279 74 K C -1.279 175.281 176.600 -0.068 0.000 1.027 74 K CA -0.562 55.681 56.287 -0.073 0.000 0.932 74 K CB 1.337 33.807 32.500 -0.050 0.000 1.032 74 K HN 0.327 nan 8.250 nan 0.000 0.466 75 V N 4.449 124.299 119.914 -0.107 0.000 2.531 75 V HA 0.323 4.443 4.120 0.000 0.000 0.301 75 V C -0.581 175.506 176.094 -0.011 0.000 1.034 75 V CA -0.890 61.374 62.300 -0.059 0.000 0.865 75 V CB 1.508 33.288 31.823 -0.071 0.000 0.995 75 V HN 0.625 nan 8.190 nan 0.000 0.424 76 L N 3.465 124.723 121.223 0.059 0.000 2.280 76 L HA 0.455 4.795 4.340 0.000 0.000 0.287 76 L C -0.109 176.859 176.870 0.163 0.000 1.023 76 L CA -0.517 54.389 54.840 0.109 0.000 0.819 76 L CB 1.525 43.625 42.059 0.067 0.000 1.212 76 L HN 0.673 nan 8.230 nan 0.000 0.420 77 D N 1.840 122.388 120.400 0.247 0.000 2.363 77 D HA -0.056 4.584 4.640 0.000 0.000 0.263 77 D C 1.168 177.523 176.300 0.092 0.000 1.258 77 D CA 0.060 54.159 54.000 0.165 0.000 0.907 77 D CB 1.164 42.011 40.800 0.078 0.000 1.107 77 D HN 0.498 nan 8.370 nan 0.000 0.495 78 S N 2.722 118.467 115.700 0.076 0.000 2.660 78 S HA 0.100 4.571 4.470 0.000 0.000 0.228 78 S C 1.701 176.329 174.600 0.047 0.000 0.966 78 S CA 0.156 58.393 58.200 0.061 0.000 0.940 78 S CB -0.692 62.544 63.200 0.060 0.000 0.773 78 S HN 0.866 nan 8.310 nan 0.000 0.535 79 G N 0.185 109.004 108.800 0.032 0.000 2.296 79 G HA2 0.044 4.004 3.960 0.000 0.000 0.282 79 G HA3 0.044 4.004 3.960 0.000 0.000 0.282 79 G C 0.223 175.137 174.900 0.023 0.000 1.014 79 G CA 0.185 45.294 45.100 0.016 0.000 0.812 79 G HN 1.766 nan 8.290 nan 0.000 0.508 80 A N -1.589 121.251 122.820 0.034 0.000 2.569 80 A HA 0.803 5.124 4.320 0.000 0.000 0.292 80 A C -2.827 174.792 177.584 0.058 0.000 1.032 80 A CA -0.391 51.672 52.037 0.044 0.000 0.669 80 A CB 0.968 19.997 19.000 0.048 0.000 1.290 80 A HN 0.184 nan 8.150 nan 0.000 0.422 81 P HA 0.336 nan 4.420 nan 0.000 0.272 81 P C -0.172 177.166 177.300 0.064 0.000 1.254 81 P CA -0.122 63.042 63.100 0.107 0.000 0.795 81 P CB 0.243 32.045 31.700 0.171 0.000 1.022 82 I N 0.791 121.386 120.570 0.043 0.000 2.662 82 I HA -0.038 4.132 4.170 0.000 0.000 0.285 82 I C 1.331 177.427 176.117 -0.035 0.000 1.161 82 I CA 0.817 62.112 61.300 -0.009 0.000 1.415 82 I CB -0.184 37.794 38.000 -0.038 0.000 1.385 82 I HN 0.076 nan 8.210 nan 0.000 0.552 83 R N 7.576 128.053 120.500 -0.037 0.000 2.637 83 R HA 0.742 5.082 4.340 0.000 0.000 0.291 83 R C -0.710 175.481 176.300 -0.182 0.000 0.963 83 R CA -0.901 55.169 56.100 -0.051 0.000 0.901 83 R CB 2.288 32.614 30.300 0.042 0.000 1.160 83 R HN 0.606 nan 8.270 nan 0.000 0.457 84 I N -1.448 118.984 120.570 -0.230 0.000 2.934 84 I HA 0.592 4.762 4.170 0.000 0.000 0.306 84 I C -2.688 173.147 176.117 -0.468 0.000 1.110 84 I CA -3.351 57.724 61.300 -0.375 0.000 1.019 84 I CB 2.541 40.408 38.000 -0.221 0.000 1.227 84 I HN 0.279 nan 8.210 nan 0.000 0.434 85 P HA 0.154 nan 4.420 nan 0.000 0.267 85 P C -0.528 176.655 177.300 -0.195 0.000 1.209 85 P CA -0.041 62.850 63.100 -0.348 0.000 0.763 85 P CB 0.839 32.382 31.700 -0.262 0.000 0.816 86 V N 0.775 120.591 119.914 -0.162 0.000 2.960 86 V HA 1.024 5.144 4.120 0.000 0.000 0.315 86 V C 0.257 175.968 176.094 -0.638 0.000 1.087 86 V CA -0.276 61.813 62.300 -0.352 0.000 0.982 86 V CB 1.333 32.974 31.823 -0.305 0.000 1.039 86 V HN 0.921 nan 8.190 nan 0.000 0.437 87 G N 2.398 110.518 108.800 -1.133 0.000 2.384 87 G HA2 0.070 4.030 3.960 0.000 0.000 0.668 87 G HA3 0.070 4.030 3.960 0.000 0.000 0.668 87 G C -2.646 172.085 174.900 -0.282 0.000 1.280 87 G CA -0.062 44.299 45.100 -1.232 0.000 0.992 87 G HN 0.621 nan 8.290 nan 0.000 0.512 88 P HA 0.003 nan 4.420 nan 0.000 0.216 88 P C 1.520 178.838 177.300 0.031 0.000 1.153 88 P CA 1.810 65.022 63.100 0.187 0.000 0.848 88 P CB -0.004 31.797 31.700 0.169 0.000 0.787 89 E N -0.274 119.923 120.200 -0.005 0.000 2.533 89 E HA -0.091 4.259 4.350 0.000 0.000 0.201 89 E C 1.083 177.663 176.600 -0.033 0.000 1.097 89 E CA 1.283 57.670 56.400 -0.020 0.000 0.887 89 E CB -1.289 28.404 29.700 -0.011 0.000 0.855 89 E HN 0.386 nan 8.360 nan 0.000 0.540 90 T N -1.634 112.903 114.554 -0.028 0.000 3.039 90 T HA 0.130 4.480 4.350 0.000 0.000 0.250 90 T C 1.160 175.839 174.700 -0.034 0.000 1.052 90 T CA -0.356 61.723 62.100 -0.034 0.000 1.125 90 T CB -0.311 68.537 68.868 -0.033 0.000 0.908 90 T HN 0.051 nan 8.240 nan 0.000 0.473 91 L N 2.372 123.566 121.223 -0.048 0.000 2.578 91 L HA 0.358 4.699 4.340 0.000 0.000 0.279 91 L C 1.781 178.597 176.870 -0.090 0.000 1.227 91 L CA 1.078 55.843 54.840 -0.124 0.000 0.900 91 L CB -0.185 41.685 42.059 -0.315 0.000 1.144 91 L HN 0.643 nan 8.230 nan 0.000 0.496 92 G N 1.752 110.512 108.800 -0.067 0.000 2.205 92 G HA2 -0.229 3.731 3.960 0.000 0.000 0.261 92 G HA3 -0.229 3.731 3.960 0.000 0.000 0.261 92 G C 0.455 175.341 174.900 -0.023 0.000 0.980 92 G CA -0.268 44.812 45.100 -0.032 0.000 0.632 92 G HN 0.473 nan 8.290 nan 0.000 0.533 93 R N -0.043 120.420 120.500 -0.061 0.000 2.596 93 R HA 0.735 5.075 4.340 0.000 0.000 0.267 93 R C 0.581 176.774 176.300 -0.179 0.000 1.026 93 R CA -0.886 55.158 56.100 -0.093 0.000 1.087 93 R CB 0.587 30.839 30.300 -0.080 0.000 1.132 93 R HN 0.358 nan 8.270 nan 0.000 0.531 94 I N 1.937 122.354 120.570 -0.255 0.000 2.377 94 I HA 0.450 4.620 4.170 0.000 0.000 0.293 94 I C 0.436 176.411 176.117 -0.237 0.000 0.987 94 I CA -0.472 60.608 61.300 -0.366 0.000 1.185 94 I CB 1.492 39.147 38.000 -0.574 0.000 1.341 94 I HN 0.229 nan 8.210 nan 0.000 0.455 95 M N 5.449 124.921 119.600 -0.213 0.000 2.501 95 M HA 0.417 4.897 4.480 0.000 0.000 0.293 95 M C -1.083 175.177 176.300 -0.066 0.000 1.192 95 M CA -0.523 54.702 55.300 -0.125 0.000 0.886 95 M CB 2.303 34.833 32.600 -0.116 0.000 1.710 95 M HN 0.644 nan 8.290 nan 0.000 0.457 96 N N 1.477 120.149 118.700 -0.045 0.000 2.240 96 N HA 0.108 4.848 4.740 0.000 0.000 0.250 96 N C 0.658 176.158 175.510 -0.017 0.000 1.316 96 N CA 0.202 53.244 53.050 -0.013 0.000 0.894 96 N CB 0.737 39.207 38.487 -0.028 0.000 1.101 96 N HN 0.564 nan 8.380 nan 0.000 0.491 97 V N 0.404 120.312 119.914 -0.009 0.000 2.591 97 V HA -0.061 4.059 4.120 0.000 0.000 0.249 97 V C 1.543 177.609 176.094 -0.046 0.000 1.053 97 V CA 1.354 63.644 62.300 -0.017 0.000 1.068 97 V CB -0.707 31.115 31.823 -0.002 0.000 0.689 97 V HN 0.704 nan 8.190 nan 0.000 0.462 98 I N -0.954 119.585 120.570 -0.051 0.000 3.805 98 I HA 0.704 4.874 4.170 0.000 0.000 0.337 98 I C 1.065 177.115 176.117 -0.112 0.000 1.539 98 I CA 0.108 61.365 61.300 -0.072 0.000 1.176 98 I CB -0.254 37.718 38.000 -0.046 0.000 1.248 98 I HN 0.198 nan 8.210 nan 0.000 0.437 99 G N 1.311 110.040 108.800 -0.119 0.000 2.314 99 G HA2 -0.239 3.721 3.960 0.000 0.000 0.292 99 G HA3 -0.239 3.721 3.960 0.000 0.000 0.292 99 G C -0.257 174.556 174.900 -0.145 0.000 1.059 99 G CA 0.117 45.121 45.100 -0.161 0.000 0.982 99 G HN 0.703 nan 8.290 nan 0.000 0.505 100 E N 0.117 120.259 120.200 -0.097 0.000 2.235 100 E HA 0.520 4.870 4.350 0.000 0.000 0.265 100 E C -2.671 173.885 176.600 -0.073 0.000 0.940 100 E CA -2.302 54.051 56.400 -0.078 0.000 0.819 100 E CB 2.343 32.013 29.700 -0.051 0.000 1.206 100 E HN 0.154 nan 8.360 nan 0.000 0.409 101 P HA 0.215 nan 4.420 nan 0.000 0.293 101 P C -0.066 177.200 177.300 -0.056 0.000 1.300 101 P CA -0.151 62.909 63.100 -0.067 0.000 0.792 101 P CB 0.240 31.909 31.700 -0.051 0.000 0.925 102 I N -0.167 120.356 120.570 -0.078 0.000 3.833 102 I HA 0.338 4.508 4.170 0.000 0.000 0.328 102 I C -0.200 175.864 176.117 -0.089 0.000 1.554 102 I CA -0.260 61.005 61.300 -0.059 0.000 1.116 102 I CB 0.155 38.136 38.000 -0.031 0.000 1.182 102 I HN 0.016 nan 8.210 nan 0.000 0.459 103 D N -0.110 120.226 120.400 -0.107 0.000 2.500 103 D HA 0.029 4.669 4.640 0.000 0.000 0.217 103 D C 0.467 176.759 176.300 -0.012 0.000 1.159 103 D CA -0.105 53.827 54.000 -0.114 0.000 0.828 103 D CB -0.088 40.588 40.800 -0.206 0.000 1.039 103 D HN 0.353 nan 8.370 nan 0.000 0.512 104 E N 0.154 120.347 120.200 -0.012 0.000 2.722 104 E HA -0.264 4.086 4.350 0.000 0.000 0.265 104 E C 0.133 176.743 176.600 0.017 0.000 1.081 104 E CA 0.365 56.771 56.400 0.010 0.000 0.781 104 E CB -1.572 28.145 29.700 0.028 0.000 1.372 104 E HN 0.461 nan 8.360 nan 0.000 0.423 105 R N 0.332 120.837 120.500 0.008 0.000 2.702 105 R HA 0.275 4.615 4.340 0.000 0.000 0.314 105 R C 0.987 177.289 176.300 0.004 0.000 1.152 105 R CA 0.448 56.556 56.100 0.013 0.000 1.097 105 R CB 0.615 30.925 30.300 0.017 0.000 1.343 105 R HN 0.368 nan 8.270 nan 0.000 0.575 106 G N 1.997 110.798 108.800 0.002 0.000 2.750 106 G HA2 -0.244 3.716 3.960 0.000 0.000 0.228 106 G HA3 -0.244 3.716 3.960 0.000 0.000 0.228 106 G C -2.432 172.465 174.900 -0.004 0.000 1.367 106 G CA -1.140 43.962 45.100 0.002 0.000 0.871 106 G HN 0.142 nan 8.290 nan 0.000 0.560 107 P HA 0.327 nan 4.420 nan 0.000 0.268 107 P C 0.277 177.577 177.300 -0.001 0.000 1.204 107 P CA 0.106 63.208 63.100 0.003 0.000 0.768 107 P CB 0.200 31.911 31.700 0.018 0.000 0.842 108 I N 2.858 123.420 120.570 -0.013 0.000 2.347 108 I HA 0.162 4.332 4.170 0.000 0.000 0.294 108 I C 0.795 176.926 176.117 0.024 0.000 1.090 108 I CA -0.085 61.205 61.300 -0.018 0.000 1.314 108 I CB -0.234 37.731 38.000 -0.058 0.000 1.423 108 I HN 0.090 nan 8.210 nan 0.000 0.503 109 K N 5.979 126.397 120.400 0.032 0.000 2.296 109 K HA 0.294 4.614 4.320 0.000 0.000 0.257 109 K C 0.080 176.714 176.600 0.056 0.000 1.088 109 K CA -0.344 55.978 56.287 0.060 0.000 0.980 109 K CB 0.900 33.423 32.500 0.038 0.000 1.430 109 K HN 0.679 nan 8.250 nan 0.000 0.441 110 T N -1.577 113.041 114.554 0.106 0.000 2.938 110 T HA 0.340 4.690 4.350 0.000 0.000 0.285 110 T C 0.901 175.638 174.700 0.063 0.000 1.028 110 T CA -0.954 61.184 62.100 0.065 0.000 1.005 110 T CB 1.639 70.531 68.868 0.041 0.000 1.157 110 T HN 0.263 nan 8.240 nan 0.000 0.550 111 K N -0.039 120.369 120.400 0.014 0.000 2.099 111 K HA 0.106 4.426 4.320 0.000 0.000 0.203 111 K C 0.302 176.863 176.600 -0.065 0.000 1.047 111 K CA 0.557 56.825 56.287 -0.031 0.000 0.963 111 K CB -0.055 32.441 32.500 -0.006 0.000 0.759 111 K HN 0.480 nan 8.250 nan 0.000 0.451 112 Q N 0.248 120.061 119.800 0.022 0.000 2.235 112 Q HA 0.351 4.691 4.340 0.000 0.000 0.256 112 Q C -0.952 175.234 176.000 0.311 0.000 0.951 112 Q CA -0.331 55.516 55.803 0.074 0.000 0.890 112 Q CB 0.948 29.746 28.738 0.099 0.000 1.279 112 Q HN -0.068 nan 8.270 nan 0.000 0.444 113 F N 0.608 120.535 119.950 -0.037 0.000 2.480 113 F HA 0.779 5.306 4.527 0.000 0.000 0.329 113 F C -0.259 175.524 175.800 -0.028 0.000 1.091 113 F CA -1.804 56.172 58.000 -0.041 0.000 0.972 113 F CB 1.702 40.686 39.000 -0.027 0.000 1.150 113 F HN 0.575 nan 8.300 nan 0.000 0.467 114 A N 2.013 124.894 122.820 0.101 0.000 2.353 114 A HA 0.772 5.092 4.320 0.000 0.000 0.299 114 A C -0.604 176.987 177.584 0.012 0.000 1.089 114 A CA -0.678 51.392 52.037 0.054 0.000 0.736 114 A CB 0.771 19.791 19.000 0.034 0.000 1.195 114 A HN 0.936 nan 8.150 nan 0.000 0.447 115 A N 2.175 125.012 122.820 0.028 0.000 2.511 115 A HA 0.404 4.724 4.320 0.000 0.000 0.242 115 A C 1.253 178.821 177.584 -0.026 0.000 1.069 115 A CA 0.301 52.344 52.037 0.009 0.000 0.763 115 A CB -0.318 18.705 19.000 0.040 0.000 1.001 115 A HN 1.638 nan 8.150 nan 0.000 0.498 116 I N -0.220 120.296 120.570 -0.089 0.000 2.439 116 I HA -0.025 4.145 4.170 0.000 0.000 0.251 116 I C 0.272 176.282 176.117 -0.179 0.000 1.139 116 I CA 0.639 61.840 61.300 -0.165 0.000 1.438 116 I CB -0.428 37.416 38.000 -0.260 0.000 1.085 116 I HN 0.548 nan 8.210 nan 0.000 0.427 117 H N 3.303 122.378 119.070 0.009 0.000 3.004 117 H HA 0.652 5.208 4.556 0.000 0.000 0.267 117 H C -0.233 175.100 175.328 0.008 0.000 1.165 117 H CA -0.008 56.046 56.048 0.010 0.000 1.450 117 H CB 0.515 30.284 29.762 0.012 0.000 1.488 117 H HN 0.451 nan 8.280 nan 0.000 0.478 118 A N 3.985 126.867 122.820 0.103 0.000 2.413 118 A HA 0.429 4.749 4.320 0.000 0.000 0.307 118 A C 0.206 177.822 177.584 0.053 0.000 1.087 118 A CA -0.944 51.130 52.037 0.061 0.000 0.750 118 A CB 1.852 20.871 19.000 0.032 0.000 1.296 118 A HN 0.550 nan 8.150 nan 0.000 0.423 119 E N 0.308 120.531 120.200 0.038 0.000 2.376 119 E HA 0.516 4.866 4.350 0.000 0.000 0.254 119 E C 0.099 176.715 176.600 0.026 0.000 1.213 119 E CA -0.229 56.190 56.400 0.032 0.000 0.945 119 E CB 0.959 30.674 29.700 0.026 0.000 1.057 119 E HN 0.733 nan 8.360 nan 0.000 0.479 120 A N 1.077 123.913 122.820 0.028 0.000 2.320 120 A HA 0.484 4.805 4.320 0.000 0.000 0.334 120 A C -2.307 175.294 177.584 0.029 0.000 1.147 120 A CA -1.739 50.313 52.037 0.025 0.000 0.820 120 A CB 0.160 19.177 19.000 0.028 0.000 1.218 120 A HN 0.280 nan 8.150 nan 0.000 0.482 121 P HA -0.008 nan 4.420 nan 0.000 0.251 121 P C -0.172 177.153 177.300 0.043 0.000 1.154 121 P CA 0.556 63.668 63.100 0.020 0.000 0.805 121 P CB 0.039 31.741 31.700 0.003 0.000 0.759 122 E N 1.929 122.160 120.200 0.051 0.000 2.521 122 E HA -0.159 4.191 4.350 0.000 0.000 0.270 122 E C 0.976 177.654 176.600 0.130 0.000 1.082 122 E CA 0.138 56.592 56.400 0.090 0.000 0.997 122 E CB 0.033 29.779 29.700 0.076 0.000 0.990 122 E HN 0.353 nan 8.360 nan 0.000 0.458 123 F N 2.036 121.985 119.950 -0.003 0.000 2.154 123 F HA -0.233 4.294 4.527 0.000 0.000 0.301 123 F C 1.945 177.742 175.800 -0.005 0.000 1.087 123 F CA 1.796 59.794 58.000 -0.003 0.000 1.274 123 F CB -0.195 38.803 39.000 -0.003 0.000 1.009 123 F HN 0.310 nan 8.300 nan 0.000 0.485 124 V N -2.318 117.641 119.914 0.075 0.000 3.510 124 V HA -0.070 4.050 4.120 0.000 0.000 0.270 124 V C 1.216 177.274 176.094 -0.061 0.000 1.201 124 V CA 1.629 63.916 62.300 -0.021 0.000 1.166 124 V CB -0.913 30.940 31.823 0.050 0.000 0.825 124 V HN 0.470 nan 8.190 nan 0.000 0.484 125 E N -0.582 119.585 120.200 -0.056 0.000 2.431 125 E HA 0.246 4.596 4.350 0.000 0.000 0.200 125 E C 0.476 177.024 176.600 -0.086 0.000 0.995 125 E CA -0.429 55.939 56.400 -0.054 0.000 0.915 125 E CB -0.001 29.685 29.700 -0.024 0.000 0.930 125 E HN 0.409 nan 8.360 nan 0.000 0.496 126 M N 1.925 121.444 119.600 -0.135 0.000 2.250 126 M HA 0.019 4.499 4.480 0.000 0.000 0.337 126 M C 0.570 176.776 176.300 -0.157 0.000 1.161 126 M CA 0.008 55.214 55.300 -0.158 0.000 1.088 126 M CB 0.364 32.803 32.600 -0.268 0.000 1.639 126 M HN -0.074 nan 8.290 nan 0.000 0.447 127 S N 2.098 117.730 115.700 -0.113 0.000 2.584 127 S HA 0.355 4.825 4.470 0.000 0.000 0.273 127 S C 0.787 175.318 174.600 -0.114 0.000 1.311 127 S CA -0.921 57.221 58.200 -0.097 0.000 1.034 127 S CB 0.702 63.861 63.200 -0.068 0.000 0.939 127 S HN 0.468 nan 8.310 nan 0.000 0.513 128 V N 2.173 122.026 119.914 -0.103 0.000 3.649 128 V HA 0.351 4.472 4.120 0.000 0.000 0.275 128 V C 0.555 176.610 176.094 -0.066 0.000 1.281 128 V CA 0.363 62.603 62.300 -0.100 0.000 1.143 128 V CB -1.357 30.409 31.823 -0.095 0.000 0.892 128 V HN 0.802 nan 8.190 nan 0.000 0.441 129 E N -0.038 120.129 120.200 -0.055 0.000 2.340 129 E HA 0.437 4.787 4.350 0.000 0.000 0.273 129 E C -0.935 175.645 176.600 -0.034 0.000 0.891 129 E CA -0.778 55.598 56.400 -0.040 0.000 0.757 129 E CB 1.600 31.280 29.700 -0.033 0.000 1.231 129 E HN 0.133 nan 8.360 nan 0.000 0.439 130 Q N 1.976 121.759 119.800 -0.029 0.000 2.307 130 Q HA 0.245 4.585 4.340 0.000 0.000 0.259 130 Q C -0.845 175.146 176.000 -0.016 0.000 0.998 130 Q CA 0.372 56.160 55.803 -0.024 0.000 0.923 130 Q CB 1.061 29.784 28.738 -0.025 0.000 1.196 130 Q HN 0.461 nan 8.270 nan 0.000 0.416 131 E N 1.962 122.155 120.200 -0.012 0.000 2.256 131 E HA 0.380 4.730 4.350 0.000 0.000 0.268 131 E C -0.623 175.982 176.600 0.008 0.000 0.877 131 E CA -0.643 55.756 56.400 -0.000 0.000 0.757 131 E CB 2.463 32.160 29.700 -0.006 0.000 1.183 131 E HN 0.569 nan 8.360 nan 0.000 0.418 132 I N 3.547 124.135 120.570 0.031 0.000 2.634 132 I HA 0.218 4.388 4.170 0.000 0.000 0.284 132 I C -1.005 175.137 176.117 0.042 0.000 1.124 132 I CA -0.411 60.919 61.300 0.051 0.000 1.417 132 I CB 0.487 38.540 38.000 0.089 0.000 1.396 132 I HN 0.490 nan 8.210 nan 0.000 0.571 133 L N 8.256 129.501 121.223 0.037 0.000 2.272 133 L HA 0.488 4.828 4.340 0.000 0.000 0.289 133 L C -0.927 175.972 176.870 0.049 0.000 1.032 133 L CA -0.428 54.399 54.840 -0.021 0.000 0.810 133 L CB 1.415 43.425 42.059 -0.082 0.000 1.205 133 L HN 0.484 nan 8.230 nan 0.000 0.422 134 V N 4.285 124.286 119.914 0.145 0.000 2.509 134 V HA 0.299 4.419 4.120 0.000 0.000 0.284 134 V C 1.077 177.284 176.094 0.188 0.000 1.047 134 V CA 0.342 62.725 62.300 0.138 0.000 0.952 134 V CB 1.284 33.172 31.823 0.108 0.000 0.988 134 V HN 0.976 nan 8.190 nan 0.000 0.469 135 T N -0.801 113.756 114.554 0.004 0.000 2.971 135 T HA 0.318 4.668 4.350 0.000 0.000 0.252 135 T C 1.320 175.976 174.700 -0.073 0.000 1.022 135 T CA 0.590 62.666 62.100 -0.039 0.000 0.980 135 T CB 0.661 69.411 68.868 -0.196 0.000 1.044 135 T HN 1.461 nan 8.240 nan 0.000 0.501 136 G N 1.860 110.620 108.800 -0.066 0.000 2.157 136 G HA2 -0.181 3.779 3.960 0.000 0.000 0.248 136 G HA3 -0.181 3.779 3.960 0.000 0.000 0.248 136 G C -0.025 174.844 174.900 -0.052 0.000 0.979 136 G CA -0.075 44.988 45.100 -0.061 0.000 0.650 136 G HN 0.638 nan 8.290 nan 0.000 0.529 137 I N 1.125 121.654 120.570 -0.068 0.000 2.297 137 I HA 0.207 4.377 4.170 0.000 0.000 0.291 137 I C 1.685 177.786 176.117 -0.027 0.000 1.033 137 I CA -0.747 60.547 61.300 -0.011 0.000 1.253 137 I CB 1.177 39.176 38.000 -0.002 0.000 1.396 137 I HN 0.013 nan 8.210 nan 0.000 0.476 138 K N 3.678 124.072 120.400 -0.010 0.000 2.077 138 K HA -0.215 4.105 4.320 0.000 0.000 0.213 138 K C 1.763 178.295 176.600 -0.113 0.000 1.051 138 K CA 1.767 58.022 56.287 -0.054 0.000 0.929 138 K CB -0.272 32.197 32.500 -0.052 0.000 0.715 138 K HN 0.644 nan 8.250 nan 0.000 0.451 139 V N -0.147 119.725 119.914 -0.071 0.000 2.244 139 V HA -0.197 3.923 4.120 0.000 0.000 0.244 139 V C 2.345 178.392 176.094 -0.078 0.000 1.042 139 V CA 1.483 63.727 62.300 -0.094 0.000 1.006 139 V CB -1.003 30.800 31.823 -0.034 0.000 0.641 139 V HN 0.016 nan 8.190 nan 0.000 0.446 140 V N 1.185 121.065 119.914 -0.057 0.000 2.231 140 V HA -0.305 3.815 4.120 0.000 0.000 0.248 140 V C 2.521 178.561 176.094 -0.091 0.000 1.054 140 V CA 2.665 64.910 62.300 -0.092 0.000 1.015 140 V CB -0.931 30.746 31.823 -0.244 0.000 0.638 140 V HN 0.549 nan 8.190 nan 0.000 0.444 141 D N -0.425 119.915 120.400 -0.100 0.000 2.178 141 D HA -0.106 4.534 4.640 0.000 0.000 0.202 141 D C 1.927 178.242 176.300 0.025 0.000 0.974 141 D CA 1.287 55.264 54.000 -0.038 0.000 0.841 141 D CB -0.084 40.688 40.800 -0.047 0.000 0.953 141 D HN 0.470 nan 8.370 nan 0.000 0.478 142 L N -0.628 120.563 121.223 -0.054 0.000 2.168 142 L HA 0.078 4.418 4.340 0.000 0.000 0.203 142 L C 1.766 178.635 176.870 -0.002 0.000 1.078 142 L CA 1.192 55.995 54.840 -0.062 0.000 0.780 142 L CB 0.005 41.873 42.059 -0.317 0.000 0.939 142 L HN -0.090 nan 8.230 nan 0.000 0.451 143 L N -0.522 120.665 121.223 -0.060 0.000 2.537 143 L HA 0.421 4.761 4.340 0.000 0.000 0.224 143 L C 0.910 177.776 176.870 -0.005 0.000 1.065 143 L CA 0.431 55.242 54.840 -0.049 0.000 0.860 143 L CB 0.005 42.009 42.059 -0.092 0.000 1.086 143 L HN 0.242 nan 8.230 nan 0.000 0.482 144 A N 0.429 123.264 122.820 0.025 0.000 3.410 144 A HA 0.471 4.791 4.320 0.000 0.000 0.276 144 A C -2.597 175.074 177.584 0.145 0.000 0.995 144 A CA -0.982 51.097 52.037 0.070 0.000 0.934 144 A CB -0.294 18.755 19.000 0.081 0.000 1.191 144 A HN -0.152 nan 8.150 nan 0.000 0.511 145 P HA 0.033 nan 4.420 nan 0.000 0.261 145 P C -0.328 177.121 177.300 0.250 0.000 1.183 145 P CA 0.636 63.821 63.100 0.141 0.000 0.761 145 P CB 0.119 31.873 31.700 0.091 0.000 0.785 146 Y N 1.867 122.170 120.300 0.006 0.000 2.335 146 Y HA 0.374 4.924 4.550 0.000 0.000 0.348 146 Y C 1.199 177.084 175.900 -0.025 0.000 1.280 146 Y CA -0.986 57.106 58.100 -0.014 0.000 1.504 146 Y CB -0.140 38.309 38.460 -0.018 0.000 1.366 146 Y HN 0.395 nan 8.280 nan 0.000 0.621 147 A N 1.524 124.398 122.820 0.090 0.000 2.386 147 A HA 0.544 4.864 4.320 0.000 0.000 0.311 147 A C -0.648 176.930 177.584 -0.009 0.000 1.068 147 A CA -1.116 50.935 52.037 0.024 0.000 0.743 147 A CB 0.900 19.896 19.000 -0.006 0.000 1.258 147 A HN 0.663 nan 8.150 nan 0.000 0.429 148 K N 0.670 121.055 120.400 -0.025 0.000 2.451 148 K HA 0.394 4.714 4.320 0.000 0.000 0.280 148 K C 1.306 177.873 176.600 -0.055 0.000 1.020 148 K CA 1.751 58.006 56.287 -0.054 0.000 1.008 148 K CB 0.164 32.630 32.500 -0.058 0.000 0.917 148 K HN 1.704 nan 8.250 nan 0.000 0.478 149 G N 2.359 111.119 108.800 -0.067 0.000 2.245 149 G HA2 -0.276 3.684 3.960 0.000 0.000 0.264 149 G HA3 -0.276 3.684 3.960 0.000 0.000 0.264 149 G C 0.523 175.383 174.900 -0.066 0.000 0.985 149 G CA 0.144 45.206 45.100 -0.063 0.000 0.625 149 G HN 0.931 nan 8.290 nan 0.000 0.536 150 G N -0.531 108.226 108.800 -0.071 0.000 2.653 150 G HA2 0.561 4.521 3.960 0.000 0.000 0.265 150 G HA3 0.561 4.521 3.960 0.000 0.000 0.265 150 G C -0.245 174.583 174.900 -0.121 0.000 1.237 150 G CA -0.008 45.045 45.100 -0.079 0.000 0.946 150 G HN 0.496 nan 8.290 nan 0.000 0.522 151 K N -0.763 119.562 120.400 -0.126 0.000 2.397 151 K HA 0.549 4.869 4.320 0.000 0.000 0.253 151 K C -1.062 175.417 176.600 -0.203 0.000 0.932 151 K CA -0.315 55.876 56.287 -0.160 0.000 0.795 151 K CB 2.247 34.678 32.500 -0.115 0.000 1.159 151 K HN 0.238 nan 8.250 nan 0.000 0.424 152 I N 1.329 121.739 120.570 -0.266 0.000 2.433 152 I HA 0.388 4.558 4.170 0.000 0.000 0.292 152 I C 0.430 176.454 176.117 -0.155 0.000 1.001 152 I CA -0.400 60.720 61.300 -0.300 0.000 1.119 152 I CB 2.178 39.806 38.000 -0.620 0.000 1.289 152 I HN 0.675 nan 8.210 nan 0.000 0.438 153 G N 6.102 114.849 108.800 -0.088 0.000 2.350 153 G HA2 0.494 4.454 3.960 0.000 0.000 0.306 153 G HA3 0.494 4.454 3.960 0.000 0.000 0.306 153 G C -0.867 174.208 174.900 0.292 0.000 1.094 153 G CA -0.376 44.787 45.100 0.104 0.000 0.953 153 G HN 0.527 nan 8.290 nan 0.000 0.420 154 L N 4.150 125.543 121.223 0.283 0.000 2.259 154 L HA 0.651 4.992 4.340 0.000 0.000 0.288 154 L C -1.100 176.027 176.870 0.427 0.000 1.051 154 L CA -0.813 54.222 54.840 0.326 0.000 0.824 154 L CB -0.184 42.020 42.059 0.243 0.000 1.206 154 L HN 0.263 nan 8.230 nan 0.000 0.429 155 F N 3.345 123.338 119.950 0.072 0.000 2.411 155 F HA 0.867 5.394 4.527 0.000 0.000 0.324 155 F C 1.130 176.975 175.800 0.076 0.000 1.086 155 F CA -0.599 57.446 58.000 0.074 0.000 1.028 155 F CB 1.049 40.090 39.000 0.067 0.000 1.284 155 F HN 0.753 nan 8.300 nan 0.000 0.501 156 G N -0.083 108.866 108.800 0.248 0.000 2.690 156 G HA2 0.389 4.349 3.960 0.000 0.000 0.686 156 G HA3 0.389 4.349 3.960 0.000 0.000 0.686 156 G C -0.157 174.821 174.900 0.131 0.000 1.277 156 G CA -0.497 44.700 45.100 0.161 0.000 0.799 156 G HN 1.213 nan 8.290 nan 0.000 0.613 157 G N 0.048 108.911 108.800 0.105 0.000 2.844 157 G HA2 0.890 4.850 3.960 0.000 0.000 0.204 157 G HA3 0.890 4.850 3.960 0.000 0.000 0.204 157 G C 0.674 175.629 174.900 0.092 0.000 1.815 157 G CA 1.112 46.271 45.100 0.099 0.000 0.739 157 G HN 2.238 nan 8.290 nan 0.000 0.807 158 A N -1.223 121.644 122.820 0.078 0.000 2.286 158 A HA 0.594 4.914 4.320 0.000 0.000 0.286 158 A C 1.483 179.112 177.584 0.075 0.000 1.097 158 A CA 0.876 52.958 52.037 0.074 0.000 0.821 158 A CB 0.219 19.256 19.000 0.061 0.000 1.076 158 A HN 2.351 nan 8.150 nan 0.000 0.490 159 G N -0.884 107.966 108.800 0.083 0.000 2.550 159 G HA2 -0.206 3.754 3.960 0.000 0.000 0.233 159 G HA3 -0.206 3.754 3.960 0.000 0.000 0.233 159 G C 0.614 175.591 174.900 0.127 0.000 1.170 159 G CA 0.836 45.993 45.100 0.094 0.000 0.693 159 G HN 2.201 nan 8.290 nan 0.000 0.512 160 V N 0.072 120.045 119.914 0.098 0.000 2.530 160 V HA 0.704 4.824 4.120 0.000 0.000 0.282 160 V C 1.634 177.815 176.094 0.146 0.000 1.048 160 V CA 0.255 62.606 62.300 0.084 0.000 0.997 160 V CB 1.047 32.894 31.823 0.040 0.000 0.987 160 V HN 1.381 nan 8.190 nan 0.000 0.477 161 G N 2.583 111.516 108.800 0.222 0.000 3.254 161 G HA2 -0.156 3.804 3.960 0.000 0.000 0.203 161 G HA3 -0.156 3.804 3.960 0.000 0.000 0.203 161 G C 1.113 176.124 174.900 0.185 0.000 1.228 161 G CA 0.582 45.823 45.100 0.236 0.000 1.202 161 G HN 0.931 nan 8.290 nan 0.000 0.504 162 K N 0.541 121.032 120.400 0.153 0.000 2.032 162 K HA -0.254 4.067 4.320 0.000 0.000 0.218 162 K C 2.709 179.382 176.600 0.122 0.000 1.054 162 K CA 2.235 58.608 56.287 0.145 0.000 0.941 162 K CB -0.567 32.011 32.500 0.130 0.000 0.720 162 K HN 0.492 nan 8.250 nan 0.000 0.449 163 T N -1.781 112.827 114.554 0.090 0.000 2.995 163 T HA -0.030 4.320 4.350 0.000 0.000 0.269 163 T C 1.963 176.696 174.700 0.055 0.000 1.091 163 T CA 1.048 63.172 62.100 0.040 0.000 1.128 163 T CB 0.031 68.903 68.868 0.008 0.000 0.891 163 T HN 0.043 nan 8.240 nan 0.000 0.492 164 V N 0.639 120.627 119.914 0.123 0.000 2.649 164 V HA 0.123 4.243 4.120 0.000 0.000 0.248 164 V C 2.392 178.659 176.094 0.288 0.000 1.054 164 V CA 1.060 63.468 62.300 0.181 0.000 1.073 164 V CB -0.123 31.805 31.823 0.176 0.000 0.699 164 V HN 0.452 nan 8.190 nan 0.000 0.463 165 L N -0.285 121.133 121.223 0.326 0.000 2.156 165 L HA -0.010 4.330 4.340 0.000 0.000 0.208 165 L C 2.030 179.009 176.870 0.182 0.000 1.095 165 L CA 1.831 56.902 54.840 0.386 0.000 0.770 165 L CB -0.399 41.877 42.059 0.360 0.000 0.914 165 L HN 0.216 nan 8.230 nan 0.000 0.439 166 I N -1.269 119.352 120.570 0.086 0.000 2.394 166 I HA -0.274 3.896 4.170 0.000 0.000 0.251 166 I C 2.260 178.311 176.117 -0.109 0.000 1.136 166 I CA 1.238 62.474 61.300 -0.108 0.000 1.425 166 I CB -0.128 37.677 38.000 -0.324 0.000 1.079 166 I HN 0.311 nan 8.210 nan 0.000 0.425 167 M N -0.317 119.258 119.600 -0.041 0.000 2.288 167 M HA -0.145 4.335 4.480 0.000 0.000 0.266 167 M C 2.120 178.408 176.300 -0.020 0.000 1.072 167 M CA 1.254 56.539 55.300 -0.025 0.000 1.132 167 M CB -0.119 32.473 32.600 -0.014 0.000 1.386 167 M HN 0.074 nan 8.290 nan 0.000 0.432 168 E N 1.136 121.289 120.200 -0.077 0.000 2.046 168 E HA -0.098 4.252 4.350 0.000 0.000 0.190 168 E C 1.798 178.295 176.600 -0.172 0.000 0.982 168 E CA 1.098 57.336 56.400 -0.269 0.000 0.800 168 E CB -0.226 28.932 29.700 -0.902 0.000 0.756 168 E HN 0.400 nan 8.360 nan 0.000 0.449 169 L N 0.438 121.630 121.223 -0.051 0.000 2.013 169 L HA -0.250 4.090 4.340 0.000 0.000 0.212 169 L C 2.525 179.484 176.870 0.149 0.000 1.073 169 L CA 1.473 56.368 54.840 0.093 0.000 0.753 169 L CB -0.613 41.645 42.059 0.331 0.000 0.890 169 L HN 0.259 nan 8.230 nan 0.000 0.432 170 I N -0.136 120.563 120.570 0.214 0.000 2.087 170 I HA -0.391 3.779 4.170 0.000 0.000 0.240 170 I C 2.364 178.544 176.117 0.106 0.000 1.054 170 I CA 2.062 63.488 61.300 0.209 0.000 1.311 170 I CB -0.527 37.585 38.000 0.186 0.000 1.024 170 I HN 0.380 nan 8.210 nan 0.000 0.402 171 N N 1.295 120.022 118.700 0.045 0.000 2.007 171 N HA -0.235 4.505 4.740 0.000 0.000 0.197 171 N C 1.519 177.026 175.510 -0.005 0.000 1.050 171 N CA 2.097 55.153 53.050 0.010 0.000 0.856 171 N CB -0.166 38.304 38.487 -0.027 0.000 1.050 171 N HN 0.207 nan 8.380 nan 0.000 0.423 172 N N -0.365 118.313 118.700 -0.037 0.000 2.334 172 N HA -0.114 4.626 4.740 0.000 0.000 0.187 172 N C 1.485 177.001 175.510 0.010 0.000 1.016 172 N CA 0.561 53.582 53.050 -0.048 0.000 0.879 172 N CB -0.341 38.094 38.487 -0.087 0.000 0.965 172 N HN 0.160 nan 8.380 nan 0.000 0.438 173 V N 0.721 120.682 119.914 0.078 0.000 2.346 173 V HA -0.069 4.051 4.120 0.000 0.000 0.244 173 V C 2.286 178.424 176.094 0.072 0.000 1.037 173 V CA 1.511 63.908 62.300 0.162 0.000 1.029 173 V CB -0.816 31.095 31.823 0.146 0.000 0.663 173 V HN 0.298 nan 8.190 nan 0.000 0.454 174 A N -0.207 122.633 122.820 0.033 0.000 1.883 174 A HA -0.264 4.056 4.320 0.000 0.000 0.217 174 A C 2.173 179.729 177.584 -0.047 0.000 1.186 174 A CA 2.251 54.280 52.037 -0.014 0.000 0.624 174 A CB -0.486 18.532 19.000 0.030 0.000 0.822 174 A HN 0.444 nan 8.150 nan 0.000 0.444 175 K N -0.152 120.219 120.400 -0.048 0.000 1.965 175 K HA 0.030 4.350 4.320 0.000 0.000 0.220 175 K C 2.162 178.679 176.600 -0.137 0.000 1.046 175 K CA 1.756 57.996 56.287 -0.079 0.000 0.974 175 K CB -0.848 31.605 32.500 -0.077 0.000 0.738 175 K HN 0.366 nan 8.250 nan 0.000 0.444 176 A N 0.123 122.808 122.820 -0.225 0.000 2.121 176 A HA -0.120 4.200 4.320 0.000 0.000 0.218 176 A C 0.857 178.091 177.584 -0.583 0.000 1.154 176 A CA 1.517 53.296 52.037 -0.431 0.000 0.679 176 A CB -0.409 18.248 19.000 -0.571 0.000 0.795 176 A HN 0.452 nan 8.150 nan 0.000 0.458 177 H N -2.646 116.389 119.070 -0.059 0.000 3.367 177 H HA 0.234 4.790 4.556 0.000 0.000 0.257 177 H C 1.455 176.721 175.328 -0.103 0.000 1.201 177 H CA 0.242 56.251 56.048 -0.066 0.000 1.102 177 H CB -0.069 29.661 29.762 -0.054 0.000 1.656 177 H HN 0.545 nan 8.280 nan 0.000 0.662 178 G N 1.599 110.365 108.800 -0.057 0.000 2.244 178 G HA2 -0.280 3.680 3.960 0.000 0.000 0.274 178 G HA3 -0.280 3.680 3.960 0.000 0.000 0.274 178 G C 0.769 175.495 174.900 -0.290 0.000 1.002 178 G CA 0.588 45.593 45.100 -0.159 0.000 0.740 178 G HN 0.662 nan 8.290 nan 0.000 0.516 179 G N -1.284 107.413 108.800 -0.171 0.000 2.400 179 G HA2 0.597 4.557 3.960 0.000 0.000 0.301 179 G HA3 0.597 4.557 3.960 0.000 0.000 0.301 179 G C -0.381 174.387 174.900 -0.220 0.000 1.154 179 G CA -0.753 44.222 45.100 -0.208 0.000 0.852 179 G HN 0.148 nan 8.290 nan 0.000 0.511 180 Y N -0.080 120.155 120.300 -0.109 0.000 2.480 180 Y HA 0.647 5.197 4.550 0.000 0.000 0.323 180 Y C 0.897 176.755 175.900 -0.069 0.000 1.267 180 Y CA -1.057 56.935 58.100 -0.180 0.000 1.336 180 Y CB 1.923 40.058 38.460 -0.542 0.000 1.361 180 Y HN 0.468 nan 8.280 nan 0.000 0.518 181 S N -0.275 115.534 115.700 0.181 0.000 2.595 181 S HA 0.765 5.235 4.470 0.000 0.000 0.281 181 S C -1.305 173.421 174.600 0.211 0.000 1.117 181 S CA -0.894 57.423 58.200 0.194 0.000 0.873 181 S CB 1.933 65.302 63.200 0.282 0.000 1.108 181 S HN 0.293 nan 8.310 nan 0.000 0.477 182 V N 1.625 121.681 119.914 0.237 0.000 2.815 182 V HA 0.673 4.793 4.120 0.000 0.000 0.314 182 V C -1.216 175.093 176.094 0.357 0.000 1.064 182 V CA -0.779 61.666 62.300 0.241 0.000 0.952 182 V CB 1.426 33.350 31.823 0.168 0.000 1.020 182 V HN 0.840 nan 8.190 nan 0.000 0.439 183 F N 2.322 122.368 119.950 0.160 0.000 2.539 183 F HA 0.781 5.308 4.527 0.000 0.000 0.328 183 F C 0.003 175.883 175.800 0.133 0.000 1.148 183 F CA -0.548 57.564 58.000 0.187 0.000 0.940 183 F CB 1.319 40.402 39.000 0.139 0.000 1.194 183 F HN 0.640 nan 8.300 nan 0.000 0.438 184 A N 4.362 127.005 122.820 -0.294 0.000 2.267 184 A HA 0.663 4.983 4.320 0.000 0.000 0.315 184 A C -0.092 177.304 177.584 -0.313 0.000 1.297 184 A CA -0.337 51.600 52.037 -0.166 0.000 0.865 184 A CB 0.320 19.256 19.000 -0.107 0.000 1.165 184 A HN 1.037 nan 8.150 nan 0.000 0.513 185 G N 1.703 110.549 108.800 0.077 0.000 2.475 185 G HA2 0.485 4.445 3.960 0.000 0.000 0.322 185 G HA3 0.485 4.445 3.960 0.000 0.000 0.322 185 G C -0.406 174.530 174.900 0.060 0.000 1.044 185 G CA -0.215 44.948 45.100 0.106 0.000 1.047 185 G HN 0.671 nan 8.290 nan 0.000 0.436 186 V N 2.644 122.567 119.914 0.016 0.000 2.389 186 V HA 0.538 4.658 4.120 0.000 0.000 0.264 186 V C 1.233 177.350 176.094 0.039 0.000 1.049 186 V CA 0.510 62.837 62.300 0.045 0.000 0.932 186 V CB 0.446 32.316 31.823 0.078 0.000 1.011 186 V HN 1.329 nan 8.190 nan 0.000 0.475 187 G N 3.493 112.307 108.800 0.023 0.000 2.353 187 G HA2 -0.185 3.775 3.960 0.000 0.000 0.294 187 G HA3 -0.185 3.775 3.960 0.000 0.000 0.294 187 G C -0.081 174.810 174.900 -0.015 0.000 1.077 187 G CA -0.240 44.862 45.100 0.004 0.000 1.098 187 G HN 0.650 nan 8.290 nan 0.000 0.511 188 E N -0.086 120.083 120.200 -0.053 0.000 2.301 188 E HA 0.241 4.591 4.350 0.000 0.000 0.275 188 E C 0.909 177.444 176.600 -0.109 0.000 1.030 188 E CA -0.585 55.752 56.400 -0.105 0.000 0.852 188 E CB 0.653 30.178 29.700 -0.292 0.000 1.060 188 E HN 0.499 nan 8.360 nan 0.000 0.401 189 R N 2.094 122.545 120.500 -0.083 0.000 2.288 189 R HA 0.091 4.431 4.340 0.000 0.000 0.330 189 R C 1.260 177.510 176.300 -0.083 0.000 1.069 189 R CA -0.118 55.944 56.100 -0.062 0.000 0.941 189 R CB 0.127 30.407 30.300 -0.034 0.000 0.998 189 R HN 0.485 nan 8.270 nan 0.000 0.452 190 T N 2.033 116.543 114.554 -0.073 0.000 2.736 190 T HA -0.319 4.031 4.350 0.000 0.000 0.265 190 T C 1.759 176.444 174.700 -0.025 0.000 1.031 190 T CA 1.935 64.001 62.100 -0.057 0.000 1.155 190 T CB -0.207 68.649 68.868 -0.020 0.000 0.849 190 T HN 0.567 nan 8.240 nan 0.000 0.471 191 R N 0.803 121.294 120.500 -0.014 0.000 2.070 191 R HA -0.105 4.235 4.340 0.000 0.000 0.233 191 R C 2.351 178.658 176.300 0.013 0.000 1.137 191 R CA 1.770 57.874 56.100 0.007 0.000 0.945 191 R CB -0.145 30.156 30.300 0.003 0.000 0.845 191 R HN 0.516 nan 8.270 nan 0.000 0.430 192 E N -0.968 119.225 120.200 -0.011 0.000 2.268 192 E HA -0.109 4.241 4.350 0.000 0.000 0.195 192 E C 1.756 178.346 176.600 -0.018 0.000 0.995 192 E CA 0.888 57.284 56.400 -0.007 0.000 0.836 192 E CB -0.007 29.686 29.700 -0.012 0.000 0.763 192 E HN 0.590 nan 8.360 nan 0.000 0.491 193 G N 1.985 110.737 108.800 -0.080 0.000 2.404 193 G HA2 -0.321 3.639 3.960 0.000 0.000 0.214 193 G HA3 -0.321 3.639 3.960 0.000 0.000 0.214 193 G C 1.358 176.372 174.900 0.191 0.000 1.189 193 G CA 0.832 45.865 45.100 -0.112 0.000 0.789 193 G HN 0.310 nan 8.290 nan 0.000 0.533 194 N N 0.509 119.321 118.700 0.187 0.000 2.192 194 N HA -0.125 4.615 4.740 0.000 0.000 0.188 194 N C 1.493 177.210 175.510 0.345 0.000 1.013 194 N CA 1.702 54.939 53.050 0.312 0.000 0.863 194 N CB -0.183 38.446 38.487 0.238 0.000 0.990 194 N HN 0.195 nan 8.380 nan 0.000 0.430 195 D N -0.711 119.806 120.400 0.194 0.000 2.234 195 D HA -0.041 4.599 4.640 0.000 0.000 0.205 195 D C 1.648 178.025 176.300 0.129 0.000 0.962 195 D CA 0.274 54.361 54.000 0.146 0.000 0.855 195 D CB -0.014 40.829 40.800 0.072 0.000 0.951 195 D HN 0.262 nan 8.370 nan 0.000 0.500 196 L N -0.337 120.957 121.223 0.118 0.000 2.095 196 L HA -0.062 4.278 4.340 0.000 0.000 0.204 196 L C 1.932 178.856 176.870 0.089 0.000 1.080 196 L CA 1.328 56.193 54.840 0.041 0.000 0.759 196 L CB -0.734 41.297 42.059 -0.047 0.000 0.914 196 L HN 0.012 nan 8.230 nan 0.000 0.439 197 Y N 0.769 121.068 120.300 -0.002 0.000 1.993 197 Y HA -0.363 4.187 4.550 0.000 0.000 0.267 197 Y C 2.715 178.526 175.900 -0.148 0.000 1.155 197 Y CA 2.415 60.456 58.100 -0.099 0.000 1.105 197 Y CB -1.120 37.282 38.460 -0.097 0.000 0.960 197 Y HN 0.442 nan 8.280 nan 0.000 0.486 198 H N -0.494 118.502 119.070 -0.124 0.000 2.457 198 H HA -0.122 4.434 4.556 0.000 0.000 0.297 198 H C 2.207 177.462 175.328 -0.123 0.000 1.092 198 H CA 1.662 57.579 56.048 -0.218 0.000 1.309 198 H CB -0.109 29.575 29.762 -0.129 0.000 1.382 198 H HN 0.537 nan 8.280 nan 0.000 0.535 199 E N -0.149 120.068 120.200 0.030 0.000 2.216 199 E HA -0.099 4.251 4.350 0.000 0.000 0.192 199 E C 1.794 178.378 176.600 -0.026 0.000 0.988 199 E CA 0.440 56.846 56.400 0.009 0.000 0.834 199 E CB 0.121 29.831 29.700 0.016 0.000 0.772 199 E HN 0.457 nan 8.360 nan 0.000 0.479 200 M N 0.006 119.575 119.600 -0.052 0.000 2.193 200 M HA -0.056 4.424 4.480 0.000 0.000 0.265 200 M C 2.137 178.396 176.300 -0.069 0.000 1.071 200 M CA 0.904 56.170 55.300 -0.057 0.000 1.140 200 M CB -0.004 32.559 32.600 -0.061 0.000 1.369 200 M HN 0.150 nan 8.290 nan 0.000 0.423 201 I N 0.470 120.961 120.570 -0.130 0.000 2.091 201 I HA -0.345 3.825 4.170 0.000 0.000 0.239 201 I C 2.096 178.163 176.117 -0.082 0.000 1.061 201 I CA 1.690 62.897 61.300 -0.155 0.000 1.317 201 I CB -0.421 37.391 38.000 -0.313 0.000 1.031 201 I HN 0.332 nan 8.210 nan 0.000 0.401 202 E N 0.084 120.251 120.200 -0.055 0.000 2.209 202 E HA -0.215 4.136 4.350 0.000 0.000 0.196 202 E C 1.895 178.492 176.600 -0.006 0.000 0.993 202 E CA 1.564 57.954 56.400 -0.017 0.000 0.819 202 E CB -0.123 29.579 29.700 0.003 0.000 0.745 202 E HN 0.531 nan 8.360 nan 0.000 0.477 203 S N -1.465 114.229 115.700 -0.010 0.000 2.577 203 S HA 0.286 4.756 4.470 0.000 0.000 0.219 203 S C 1.461 176.059 174.600 -0.004 0.000 0.962 203 S CA 0.322 58.523 58.200 0.003 0.000 0.921 203 S CB 0.758 63.964 63.200 0.010 0.000 0.789 203 S HN 0.369 nan 8.310 nan 0.000 0.497 204 G N 1.477 110.268 108.800 -0.016 0.000 2.417 204 G HA2 -0.435 3.525 3.960 0.000 0.000 0.233 204 G HA3 -0.435 3.525 3.960 0.000 0.000 0.233 204 G C 1.159 176.049 174.900 -0.017 0.000 1.103 204 G CA 0.570 45.660 45.100 -0.016 0.000 0.647 204 G HN 1.423 nan 8.290 nan 0.000 0.512 205 V N -0.739 119.168 119.914 -0.012 0.000 2.481 205 V HA -0.035 4.085 4.120 0.000 0.000 0.263 205 V C 1.458 177.544 176.094 -0.014 0.000 1.108 205 V CA 2.210 64.507 62.300 -0.005 0.000 1.113 205 V CB -0.646 31.177 31.823 0.001 0.000 0.684 205 V HN 0.664 nan 8.190 nan 0.000 0.467 206 I N 0.861 121.413 120.570 -0.029 0.000 2.530 206 I HA 0.482 4.652 4.170 0.000 0.000 0.297 206 I C -0.172 175.919 176.117 -0.044 0.000 1.011 206 I CA -0.217 61.062 61.300 -0.034 0.000 1.107 206 I CB 1.759 39.742 38.000 -0.028 0.000 1.285 206 I HN 0.117 nan 8.210 nan 0.000 0.436 207 N N 5.915 124.594 118.700 -0.035 0.000 2.504 207 N HA 0.331 5.071 4.740 0.000 0.000 0.280 207 N C 0.113 175.605 175.510 -0.028 0.000 1.052 207 N CA -0.330 52.700 53.050 -0.033 0.000 0.887 207 N CB 1.909 40.383 38.487 -0.022 0.000 1.323 207 N HN 0.543 nan 8.380 nan 0.000 0.509 208 L N 2.930 124.131 121.223 -0.036 0.000 2.313 208 L HA 0.066 4.406 4.340 0.000 0.000 0.214 208 L C 2.126 178.988 176.870 -0.012 0.000 1.119 208 L CA 0.965 55.791 54.840 -0.023 0.000 0.809 208 L CB 0.118 42.155 42.059 -0.036 0.000 0.933 208 L HN 0.411 nan 8.230 nan 0.000 0.449 209 K N -0.260 120.132 120.400 -0.014 0.000 2.044 209 K HA -0.066 4.254 4.320 0.000 0.000 0.204 209 K C 0.881 177.478 176.600 -0.005 0.000 1.045 209 K CA 1.219 57.502 56.287 -0.008 0.000 0.951 209 K CB 0.064 32.560 32.500 -0.008 0.000 0.738 209 K HN 0.390 nan 8.250 nan 0.000 0.443 210 D N -1.287 119.110 120.400 -0.006 0.000 2.384 210 D HA 0.213 4.853 4.640 0.000 0.000 0.257 210 D C -0.259 176.038 176.300 -0.006 0.000 1.226 210 D CA -0.513 53.485 54.000 -0.003 0.000 1.129 210 D CB 0.139 40.938 40.800 -0.001 0.000 1.197 210 D HN -0.039 nan 8.370 nan 0.000 0.571 211 A N -1.030 121.788 122.820 -0.004 0.000 2.676 211 A HA 0.400 4.721 4.320 0.000 0.000 0.258 211 A C 0.398 177.977 177.584 -0.009 0.000 0.898 211 A CA 0.122 52.153 52.037 -0.010 0.000 1.087 211 A CB -0.588 18.412 19.000 -0.001 0.000 1.214 211 A HN 0.527 nan 8.150 nan 0.000 0.474 212 T N -1.992 112.557 114.554 -0.008 0.000 3.176 212 T HA 0.221 4.571 4.350 0.000 0.000 0.263 212 T C 0.455 175.149 174.700 -0.009 0.000 1.021 212 T CA 0.308 62.410 62.100 0.004 0.000 0.905 212 T CB -0.465 68.409 68.868 0.011 0.000 1.057 212 T HN 0.241 nan 8.240 nan 0.000 0.558 213 S N 2.194 117.868 115.700 -0.043 0.000 2.533 213 S HA 0.224 4.694 4.470 0.000 0.000 0.282 213 S C 0.636 175.181 174.600 -0.092 0.000 1.304 213 S CA -0.696 57.470 58.200 -0.058 0.000 1.063 213 S CB 0.907 64.067 63.200 -0.067 0.000 0.881 213 S HN 0.535 nan 8.310 nan 0.000 0.493 214 K N 0.874 121.255 120.400 -0.031 0.000 2.372 214 K HA 0.265 4.585 4.320 0.000 0.000 0.200 214 K C -0.501 176.100 176.600 0.002 0.000 1.022 214 K CA -0.011 56.288 56.287 0.021 0.000 1.125 214 K CB 0.187 32.763 32.500 0.126 0.000 0.855 214 K HN 0.449 nan 8.250 nan 0.000 0.524 215 V N -0.140 119.753 119.914 -0.034 0.000 2.925 215 V HA 0.697 4.817 4.120 0.000 0.000 0.311 215 V C -1.000 175.086 176.094 -0.013 0.000 1.104 215 V CA -1.510 60.801 62.300 0.019 0.000 0.954 215 V CB 1.788 33.650 31.823 0.066 0.000 1.022 215 V HN 0.055 nan 8.190 nan 0.000 0.427 216 A N 3.660 126.501 122.820 0.035 0.000 2.318 216 A HA 0.905 5.225 4.320 0.000 0.000 0.324 216 A C -0.864 176.735 177.584 0.025 0.000 1.170 216 A CA -0.599 51.447 52.037 0.014 0.000 0.810 216 A CB 0.974 20.006 19.000 0.053 0.000 1.198 216 A HN 0.840 nan 8.150 nan 0.000 0.484 217 L N 2.820 123.992 121.223 -0.084 0.000 2.296 217 L HA 0.538 4.878 4.340 0.000 0.000 0.286 217 L C -0.829 175.913 176.870 -0.213 0.000 1.023 217 L CA -0.877 53.872 54.840 -0.152 0.000 0.812 217 L CB 1.628 43.430 42.059 -0.429 0.000 1.223 217 L HN 0.409 nan 8.230 nan 0.000 0.421 218 V N 3.263 123.147 119.914 -0.050 0.000 2.384 218 V HA 0.408 4.528 4.120 0.000 0.000 0.287 218 V C -0.850 175.356 176.094 0.186 0.000 1.020 218 V CA -0.610 61.684 62.300 -0.010 0.000 0.850 218 V CB 1.545 33.380 31.823 0.019 0.000 0.987 218 V HN 0.368 nan 8.190 nan 0.000 0.436 219 Y N 2.133 122.451 120.300 0.030 0.000 2.364 219 Y HA 0.728 5.278 4.550 0.000 0.000 0.340 219 Y C 0.692 176.603 175.900 0.019 0.000 0.975 219 Y CA -1.696 56.428 58.100 0.040 0.000 1.089 219 Y CB 2.378 40.852 38.460 0.022 0.000 1.192 219 Y HN 0.651 nan 8.280 nan 0.000 0.454 220 G N 3.728 112.623 108.800 0.157 0.000 3.749 220 G HA2 0.367 4.327 3.960 0.000 0.000 0.339 220 G HA3 0.367 4.327 3.960 0.000 0.000 0.339 220 G C -0.582 174.328 174.900 0.017 0.000 1.513 220 G CA -0.565 44.578 45.100 0.071 0.000 1.035 220 G HN 0.566 nan 8.290 nan 0.000 0.480 221 Q N 0.727 120.526 119.800 -0.001 0.000 2.474 221 Q HA 0.174 4.514 4.340 0.000 0.000 0.256 221 Q C 1.712 177.700 176.000 -0.021 0.000 1.048 221 Q CA 0.141 55.921 55.803 -0.039 0.000 0.922 221 Q CB 1.135 29.852 28.738 -0.034 0.000 1.288 221 Q HN 0.536 nan 8.270 nan 0.000 0.484 222 M N 1.196 120.779 119.600 -0.029 0.000 2.358 222 M HA -0.176 4.304 4.480 0.000 0.000 0.264 222 M C 0.852 177.144 176.300 -0.013 0.000 1.064 222 M CA 1.343 56.631 55.300 -0.019 0.000 1.093 222 M CB -0.211 32.376 32.600 -0.022 0.000 1.401 222 M HN 0.611 nan 8.290 nan 0.000 0.440 223 N N -0.349 118.344 118.700 -0.011 0.000 2.446 223 N HA -0.015 4.725 4.740 0.000 0.000 0.179 223 N C 0.042 175.549 175.510 -0.003 0.000 1.054 223 N CA 0.068 53.114 53.050 -0.007 0.000 0.905 223 N CB -0.014 38.471 38.487 -0.004 0.000 0.973 223 N HN 0.445 nan 8.380 nan 0.000 0.448 224 E N 2.009 122.208 120.200 -0.001 0.000 2.398 224 E HA 0.106 4.456 4.350 0.000 0.000 0.263 224 E C -2.219 174.381 176.600 -0.000 0.000 1.046 224 E CA -1.720 54.682 56.400 0.003 0.000 0.908 224 E CB 0.471 30.176 29.700 0.009 0.000 0.963 224 E HN 0.092 nan 8.360 nan 0.000 0.431 225 P HA -0.016 nan 4.420 nan 0.000 0.272 225 P C -2.171 175.126 177.300 -0.005 0.000 1.230 225 P CA -1.146 61.953 63.100 -0.002 0.000 0.788 225 P CB -0.058 31.643 31.700 0.001 0.000 0.949 226 P HA -0.260 nan 4.420 nan 0.000 0.217 226 P C 1.654 178.944 177.300 -0.015 0.000 1.162 226 P CA 2.420 65.507 63.100 -0.022 0.000 0.901 226 P CB -0.831 30.851 31.700 -0.029 0.000 0.793 227 G N -0.092 108.705 108.800 -0.004 0.000 2.469 227 G HA2 -0.292 3.668 3.960 0.000 0.000 0.219 227 G HA3 -0.292 3.668 3.960 0.000 0.000 0.219 227 G C 1.742 176.655 174.900 0.020 0.000 1.150 227 G CA 1.414 46.520 45.100 0.010 0.000 0.763 227 G HN 0.425 nan 8.290 nan 0.000 0.561 228 A N 0.949 123.779 122.820 0.016 0.000 1.873 228 A HA 0.012 4.332 4.320 0.000 0.000 0.215 228 A C 2.425 180.026 177.584 0.028 0.000 1.186 228 A CA 1.515 53.564 52.037 0.021 0.000 0.616 228 A CB -0.331 18.679 19.000 0.017 0.000 0.823 228 A HN 0.386 nan 8.150 nan 0.000 0.442 229 R N -0.255 120.257 120.500 0.021 0.000 2.280 229 R HA 0.126 4.466 4.340 0.000 0.000 0.207 229 R C 2.127 178.456 176.300 0.048 0.000 1.043 229 R CA 0.723 56.841 56.100 0.030 0.000 1.006 229 R CB -0.317 29.990 30.300 0.011 0.000 0.885 229 R HN 0.499 nan 8.270 nan 0.000 0.467 230 A N 1.363 124.200 122.820 0.028 0.000 1.874 230 A HA -0.051 4.269 4.320 0.000 0.000 0.214 230 A C 1.958 179.618 177.584 0.127 0.000 1.189 230 A CA 0.756 52.806 52.037 0.022 0.000 0.615 230 A CB 0.022 19.012 19.000 -0.017 0.000 0.830 230 A HN 0.039 nan 8.150 nan 0.000 0.443 231 R N -0.024 120.533 120.500 0.094 0.000 2.100 231 R HA -0.034 4.306 4.340 0.000 0.000 0.220 231 R C 2.181 178.510 176.300 0.049 0.000 1.091 231 R CA 1.402 57.547 56.100 0.076 0.000 0.986 231 R CB -1.749 28.565 30.300 0.024 0.000 0.888 231 R HN 0.605 nan 8.270 nan 0.000 0.444 232 V N -0.274 119.668 119.914 0.047 0.000 2.511 232 V HA -0.235 3.885 4.120 0.000 0.000 0.257 232 V C 2.181 178.280 176.094 0.008 0.000 1.088 232 V CA 2.069 64.386 62.300 0.029 0.000 1.098 232 V CB -1.183 30.669 31.823 0.049 0.000 0.674 232 V HN 0.199 nan 8.190 nan 0.000 0.470 233 A N 0.209 123.042 122.820 0.022 0.000 2.016 233 A HA 0.165 4.485 4.320 0.000 0.000 0.217 233 A C 2.190 179.713 177.584 -0.102 0.000 1.162 233 A CA 1.559 53.548 52.037 -0.079 0.000 0.662 233 A CB -0.440 18.430 19.000 -0.217 0.000 0.812 233 A HN 0.593 nan 8.150 nan 0.000 0.450 234 L N -1.100 120.087 121.223 -0.059 0.000 2.056 234 L HA -0.129 4.211 4.340 0.000 0.000 0.207 234 L C 2.750 179.567 176.870 -0.088 0.000 1.078 234 L CA 1.678 56.470 54.840 -0.081 0.000 0.749 234 L CB -1.112 40.891 42.059 -0.092 0.000 0.901 234 L HN 0.287 nan 8.230 nan 0.000 0.433 235 T N 0.063 114.568 114.554 -0.081 0.000 2.665 235 T HA -0.184 4.166 4.350 0.000 0.000 0.268 235 T C 1.810 176.477 174.700 -0.055 0.000 1.035 235 T CA 1.650 63.704 62.100 -0.076 0.000 1.151 235 T CB -0.564 68.267 68.868 -0.062 0.000 0.862 235 T HN 0.588 nan 8.240 nan 0.000 0.438 236 G N 1.036 109.810 108.800 -0.044 0.000 2.442 236 G HA2 -0.162 3.798 3.960 0.000 0.000 0.219 236 G HA3 -0.162 3.798 3.960 0.000 0.000 0.219 236 G C 1.504 176.390 174.900 -0.024 0.000 1.141 236 G CA 0.690 45.775 45.100 -0.025 0.000 0.763 236 G HN 0.385 nan 8.290 nan 0.000 0.554 237 L N 0.925 122.116 121.223 -0.053 0.000 2.017 237 L HA -0.010 4.330 4.340 0.000 0.000 0.208 237 L C 3.005 179.860 176.870 -0.025 0.000 1.073 237 L CA 2.390 57.200 54.840 -0.051 0.000 0.745 237 L CB -1.095 40.916 42.059 -0.080 0.000 0.894 237 L HN 0.186 nan 8.230 nan 0.000 0.432 238 T N -1.124 113.407 114.554 -0.037 0.000 2.665 238 T HA -0.219 4.131 4.350 0.000 0.000 0.268 238 T C 1.967 176.660 174.700 -0.012 0.000 1.035 238 T CA 1.809 63.892 62.100 -0.028 0.000 1.151 238 T CB -0.403 68.435 68.868 -0.051 0.000 0.862 238 T HN 0.176 nan 8.240 nan 0.000 0.438 239 V N 1.568 121.472 119.914 -0.017 0.000 2.219 239 V HA -0.249 3.871 4.120 0.000 0.000 0.248 239 V C 2.856 178.990 176.094 0.067 0.000 1.053 239 V CA 2.027 64.320 62.300 -0.011 0.000 1.009 239 V CB -1.311 30.525 31.823 0.021 0.000 0.636 239 V HN 0.572 nan 8.190 nan 0.000 0.445 240 A N -0.772 122.124 122.820 0.127 0.000 1.927 240 A HA -0.334 3.986 4.320 0.000 0.000 0.220 240 A C 2.113 179.784 177.584 0.145 0.000 1.185 240 A CA 2.346 54.500 52.037 0.194 0.000 0.639 240 A CB -0.701 18.366 19.000 0.111 0.000 0.820 240 A HN 0.677 nan 8.150 nan 0.000 0.451 241 E N -1.870 118.369 120.200 0.065 0.000 2.171 241 E HA -0.242 4.108 4.350 0.000 0.000 0.197 241 E C 1.736 178.349 176.600 0.022 0.000 0.997 241 E CA 1.488 57.908 56.400 0.033 0.000 0.810 241 E CB -0.328 29.378 29.700 0.010 0.000 0.738 241 E HN 0.836 nan 8.360 nan 0.000 0.467 242 Y N 0.642 120.858 120.300 -0.141 0.000 2.049 242 Y HA -0.273 4.277 4.550 0.000 0.000 0.277 242 Y C 1.609 177.397 175.900 -0.187 0.000 1.143 242 Y CA 1.707 59.659 58.100 -0.247 0.000 1.115 242 Y CB -0.531 37.653 38.460 -0.460 0.000 0.975 242 Y HN -0.053 nan 8.280 nan 0.000 0.487 243 F N 0.722 120.807 119.950 0.225 0.000 2.549 243 F HA -0.093 4.434 4.527 0.000 0.000 0.295 243 F C 2.429 178.224 175.800 -0.009 0.000 1.124 243 F CA 1.536 59.620 58.000 0.139 0.000 1.482 243 F CB -0.487 38.697 39.000 0.307 0.000 1.108 243 F HN 0.171 nan 8.300 nan 0.000 0.602 244 R N -0.419 120.107 120.500 0.043 0.000 2.320 244 R HA 0.038 4.378 4.340 0.000 0.000 0.193 244 R C 1.084 177.344 176.300 -0.067 0.000 0.885 244 R CA 0.414 56.516 56.100 0.002 0.000 1.085 244 R CB 0.164 30.475 30.300 0.019 0.000 1.253 244 R HN 0.017 nan 8.270 nan 0.000 0.636 245 D N 0.341 120.677 120.400 -0.107 0.000 2.348 245 D HA -0.008 4.632 4.640 0.000 0.000 0.211 245 D C 1.283 177.470 176.300 -0.188 0.000 0.998 245 D CA 0.618 54.548 54.000 -0.117 0.000 0.873 245 D CB 0.621 41.374 40.800 -0.078 0.000 0.925 245 D HN 0.144 nan 8.370 nan 0.000 0.524 246 Q N -0.225 119.365 119.800 -0.350 0.000 2.369 246 Q HA 0.163 4.503 4.340 0.000 0.000 0.254 246 Q C 0.761 176.558 176.000 -0.339 0.000 0.858 246 Q CA 0.458 55.992 55.803 -0.449 0.000 0.961 246 Q CB 1.162 29.318 28.738 -0.969 0.000 1.119 246 Q HN 0.365 nan 8.270 nan 0.000 0.538 247 E N -0.710 119.328 120.200 -0.270 0.000 2.743 247 E HA 0.194 4.544 4.350 0.000 0.000 0.222 247 E C 0.138 176.720 176.600 -0.030 0.000 0.959 247 E CA 0.123 56.468 56.400 -0.091 0.000 1.198 247 E CB 1.167 30.891 29.700 0.040 0.000 1.100 247 E HN 0.276 nan 8.360 nan 0.000 0.518 248 G N 3.049 111.818 108.800 -0.052 0.000 2.441 248 G HA2 -0.338 3.622 3.960 0.000 0.000 0.298 248 G HA3 -0.338 3.622 3.960 0.000 0.000 0.298 248 G C 0.173 175.068 174.900 -0.008 0.000 0.949 248 G CA 1.008 46.091 45.100 -0.028 0.000 1.072 248 G HN 0.245 nan 8.290 nan 0.000 0.512 249 Q N -0.769 119.043 119.800 0.020 0.000 2.173 249 Q HA 0.497 4.838 4.340 0.000 0.000 0.186 249 Q C -0.697 175.303 176.000 -0.000 0.000 1.018 249 Q CA -0.740 55.065 55.803 0.003 0.000 1.064 249 Q CB 0.731 29.467 28.738 -0.003 0.000 1.130 249 Q HN 0.205 nan 8.270 nan 0.000 0.553 250 D N 0.948 121.335 120.400 -0.022 0.000 2.472 250 D HA 0.279 4.919 4.640 0.000 0.000 0.234 250 D C -0.947 175.339 176.300 -0.024 0.000 1.088 250 D CA -0.169 53.804 54.000 -0.045 0.000 0.882 250 D CB 1.096 41.831 40.800 -0.109 0.000 1.037 250 D HN 0.126 nan 8.370 nan 0.000 0.520 251 V N 1.644 121.570 119.914 0.020 0.000 3.083 251 V HA 0.361 4.481 4.120 0.000 0.000 0.306 251 V C 0.593 176.680 176.094 -0.013 0.000 1.077 251 V CA -0.755 61.579 62.300 0.057 0.000 1.073 251 V CB 1.397 33.307 31.823 0.145 0.000 1.081 251 V HN 0.360 nan 8.190 nan 0.000 0.474 252 L N 2.908 124.121 121.223 -0.017 0.000 2.333 252 L HA 0.560 4.900 4.340 0.000 0.000 0.280 252 L C -1.002 175.762 176.870 -0.178 0.000 1.004 252 L CA -0.572 54.176 54.840 -0.153 0.000 0.820 252 L CB 1.686 43.639 42.059 -0.176 0.000 1.247 252 L HN 0.509 nan 8.230 nan 0.000 0.416 253 L N 3.936 124.989 121.223 -0.284 0.000 2.333 253 L HA 0.581 4.921 4.340 0.000 0.000 0.280 253 L C -1.426 175.243 176.870 -0.336 0.000 1.004 253 L CA 0.159 54.879 54.840 -0.200 0.000 0.820 253 L CB 1.368 43.350 42.059 -0.129 0.000 1.247 253 L HN 0.239 nan 8.230 nan 0.000 0.416 254 F N 5.923 125.835 119.950 -0.063 0.000 2.427 254 F HA 0.559 5.086 4.527 0.000 0.000 0.348 254 F C -0.303 175.293 175.800 -0.340 0.000 1.125 254 F CA -0.389 57.532 58.000 -0.131 0.000 0.989 254 F CB 1.427 40.421 39.000 -0.009 0.000 1.165 254 F HN 0.219 nan 8.300 nan 0.000 0.442 255 I N 3.334 123.850 120.570 -0.089 0.000 2.355 255 I HA 0.307 4.477 4.170 0.000 0.000 0.288 255 I C -0.919 175.120 176.117 -0.129 0.000 0.999 255 I CA -0.301 60.889 61.300 -0.183 0.000 1.163 255 I CB 1.341 39.235 38.000 -0.177 0.000 1.316 255 I HN 0.362 nan 8.210 nan 0.000 0.454 256 D N 5.588 125.865 120.400 -0.206 0.000 2.469 256 D HA 0.294 4.934 4.640 0.000 0.000 0.251 256 D C -1.034 175.270 176.300 0.007 0.000 1.173 256 D CA -0.467 53.505 54.000 -0.046 0.000 0.882 256 D CB 1.124 41.946 40.800 0.037 0.000 1.129 256 D HN 0.608 nan 8.370 nan 0.000 0.549 257 N N 2.253 120.991 118.700 0.063 0.000 2.272 257 N HA 0.228 4.968 4.740 0.000 0.000 0.305 257 N C 0.632 176.219 175.510 0.129 0.000 1.103 257 N CA -0.736 52.372 53.050 0.097 0.000 0.791 257 N CB 1.360 39.930 38.487 0.138 0.000 1.356 257 N HN 0.142 nan 8.380 nan 0.000 0.486 258 I N 1.050 121.690 120.570 0.117 0.000 2.399 258 I HA -0.126 4.044 4.170 0.000 0.000 0.254 258 I C 1.329 177.602 176.117 0.260 0.000 1.146 258 I CA 1.250 62.633 61.300 0.138 0.000 1.412 258 I CB -0.515 37.526 38.000 0.069 0.000 1.076 258 I HN 0.749 nan 8.210 nan 0.000 0.432 259 F N 1.373 121.410 119.950 0.145 0.000 2.113 259 F HA -0.159 4.368 4.527 0.000 0.000 0.297 259 F C 2.487 178.378 175.800 0.152 0.000 1.103 259 F CA 1.575 59.679 58.000 0.174 0.000 1.248 259 F CB -0.402 38.747 39.000 0.248 0.000 0.999 259 F HN -0.072 nan 8.300 nan 0.000 0.475 260 R N -0.861 119.711 120.500 0.120 0.000 2.293 260 R HA -0.160 4.180 4.340 0.000 0.000 0.219 260 R C 2.023 178.307 176.300 -0.027 0.000 1.091 260 R CA 1.115 57.206 56.100 -0.015 0.000 1.004 260 R CB -0.707 29.630 30.300 0.061 0.000 0.865 260 R HN 0.391 nan 8.270 nan 0.000 0.469 261 F N 1.266 121.157 119.950 -0.099 0.000 2.084 261 F HA -0.141 4.386 4.527 0.000 0.000 0.296 261 F C 2.040 177.774 175.800 -0.110 0.000 1.111 261 F CA 1.609 59.560 58.000 -0.083 0.000 1.224 261 F CB -0.637 38.327 39.000 -0.059 0.000 0.991 261 F HN -0.201 nan 8.300 nan 0.000 0.471 262 T N 0.613 114.949 114.554 -0.362 0.000 2.684 262 T HA -0.201 4.149 4.350 0.000 0.000 0.267 262 T C 1.885 176.377 174.700 -0.347 0.000 1.036 262 T CA 1.598 63.451 62.100 -0.412 0.000 1.148 262 T CB -0.275 68.442 68.868 -0.251 0.000 0.863 262 T HN 0.205 nan 8.240 nan 0.000 0.436 263 Q N 0.849 120.396 119.800 -0.423 0.000 2.061 263 Q HA 0.021 4.361 4.340 0.000 0.000 0.204 263 Q C 2.670 178.543 176.000 -0.212 0.000 0.984 263 Q CA 1.770 57.380 55.803 -0.322 0.000 0.846 263 Q CB -0.997 27.509 28.738 -0.386 0.000 0.902 263 Q HN 0.572 nan 8.270 nan 0.000 0.421 264 A N 0.255 122.948 122.820 -0.212 0.000 2.024 264 A HA -0.108 4.212 4.320 0.000 0.000 0.220 264 A C 2.258 179.734 177.584 -0.179 0.000 1.164 264 A CA 1.797 53.741 52.037 -0.155 0.000 0.643 264 A CB -0.955 17.975 19.000 -0.115 0.000 0.806 264 A HN 0.462 nan 8.150 nan 0.000 0.451 265 G N -0.731 107.903 108.800 -0.276 0.000 2.433 265 G HA2 -0.146 3.814 3.960 0.000 0.000 0.216 265 G HA3 -0.146 3.814 3.960 0.000 0.000 0.216 265 G C 1.834 176.650 174.900 -0.139 0.000 1.186 265 G CA 1.220 46.167 45.100 -0.256 0.000 0.779 265 G HN 0.486 nan 8.290 nan 0.000 0.543 266 S N 0.852 116.487 115.700 -0.108 0.000 2.359 266 S HA -0.130 4.340 4.470 0.000 0.000 0.224 266 S C 2.190 176.752 174.600 -0.064 0.000 1.035 266 S CA 1.667 59.832 58.200 -0.059 0.000 1.018 266 S CB -0.307 62.861 63.200 -0.052 0.000 0.876 266 S HN 0.634 nan 8.310 nan 0.000 0.448 267 E N 0.630 120.785 120.200 -0.075 0.000 2.058 267 E HA -0.133 4.217 4.350 0.000 0.000 0.194 267 E C 2.149 178.722 176.600 -0.046 0.000 0.997 267 E CA 1.401 57.766 56.400 -0.057 0.000 0.801 267 E CB -0.406 29.261 29.700 -0.056 0.000 0.746 267 E HN 0.276 nan 8.360 nan 0.000 0.450 268 V N 1.171 121.053 119.914 -0.052 0.000 2.332 268 V HA -0.287 3.833 4.120 0.000 0.000 0.248 268 V C 2.499 178.573 176.094 -0.032 0.000 1.055 268 V CA 1.927 64.205 62.300 -0.038 0.000 1.038 268 V CB -0.545 31.253 31.823 -0.042 0.000 0.651 268 V HN 0.271 nan 8.190 nan 0.000 0.450 269 S N -0.192 115.484 115.700 -0.039 0.000 2.359 269 S HA -0.264 4.206 4.470 0.000 0.000 0.222 269 S C 2.200 176.787 174.600 -0.022 0.000 1.038 269 S CA 1.905 60.088 58.200 -0.029 0.000 1.051 269 S CB -0.492 62.691 63.200 -0.028 0.000 0.944 269 S HN 0.645 nan 8.310 nan 0.000 0.433 270 A N 1.583 124.388 122.820 -0.026 0.000 1.917 270 A HA -0.067 4.253 4.320 0.000 0.000 0.219 270 A C 2.199 179.772 177.584 -0.018 0.000 1.182 270 A CA 1.760 53.783 52.037 -0.023 0.000 0.633 270 A CB -0.911 18.071 19.000 -0.030 0.000 0.819 270 A HN 0.617 nan 8.150 nan 0.000 0.448 271 L N -1.008 120.204 121.223 -0.018 0.000 2.141 271 L HA -0.090 4.250 4.340 0.000 0.000 0.209 271 L C 1.730 178.595 176.870 -0.008 0.000 1.094 271 L CA 0.717 55.549 54.840 -0.013 0.000 0.763 271 L CB -0.559 41.493 42.059 -0.012 0.000 0.908 271 L HN 0.335 nan 8.230 nan 0.000 0.437 272 L N 0.382 121.600 121.223 -0.008 0.000 2.660 272 L HA 0.148 4.488 4.340 0.000 0.000 0.238 272 L C 1.326 178.194 176.870 -0.003 0.000 1.161 272 L CA 0.171 55.009 54.840 -0.004 0.000 0.937 272 L CB -0.700 41.357 42.059 -0.004 0.000 1.122 272 L HN 0.443 nan 8.230 nan 0.000 0.435 273 G N 1.169 109.965 108.800 -0.006 0.000 2.258 273 G HA2 -0.321 3.640 3.960 0.000 0.000 0.274 273 G HA3 -0.321 3.640 3.960 0.000 0.000 0.274 273 G C 0.244 175.141 174.900 -0.005 0.000 1.021 273 G CA 0.142 45.239 45.100 -0.005 0.000 0.798 273 G HN 0.504 nan 8.290 nan 0.000 0.507 274 R N -0.645 119.852 120.500 -0.006 0.000 2.428 274 R HA 0.595 4.935 4.340 0.000 0.000 0.294 274 R C 0.879 177.177 176.300 -0.004 0.000 1.000 274 R CA -1.057 55.041 56.100 -0.004 0.000 0.960 274 R CB 1.320 31.618 30.300 -0.004 0.000 1.076 274 R HN 0.258 nan 8.270 nan 0.000 0.475 275 I N 4.361 124.930 120.570 -0.002 0.000 2.821 275 I HA -0.054 4.116 4.170 0.000 0.000 0.294 275 I C -1.692 174.427 176.117 0.002 0.000 1.210 275 I CA -1.044 60.256 61.300 -0.001 0.000 1.430 275 I CB -0.022 37.979 38.000 0.002 0.000 1.356 275 I HN 0.285 nan 8.210 nan 0.000 0.563 276 P HA 0.145 nan 4.420 nan 0.000 0.274 276 P C -0.441 176.872 177.300 0.021 0.000 1.246 276 P CA -0.401 62.703 63.100 0.005 0.000 0.795 276 P CB 0.815 32.506 31.700 -0.015 0.000 1.006 277 S N -0.401 115.327 115.700 0.046 0.000 2.694 277 S HA 0.728 5.198 4.470 0.000 0.000 0.286 277 S C -0.058 174.583 174.600 0.068 0.000 1.080 277 S CA -0.710 57.522 58.200 0.054 0.000 0.953 277 S CB -0.172 63.064 63.200 0.059 0.000 1.313 277 S HN 0.533 nan 8.310 nan 0.000 0.555 278 A N 0.365 123.233 122.820 0.080 0.000 2.587 278 A HA 0.415 4.736 4.320 0.000 0.000 0.235 278 A C 1.115 178.780 177.584 0.135 0.000 1.044 278 A CA 0.259 52.349 52.037 0.088 0.000 0.754 278 A CB -1.251 17.799 19.000 0.083 0.000 0.968 278 A HN 1.827 nan 8.150 nan 0.000 0.509 279 V N 1.360 121.324 119.914 0.084 0.000 2.666 279 V HA -0.329 3.791 4.120 0.000 0.000 0.147 279 V C 1.952 177.974 176.094 -0.119 0.000 0.450 279 V CA 1.901 64.227 62.300 0.044 0.000 1.232 279 V CB -2.362 29.563 31.823 0.170 0.000 1.437 279 V HN 2.970 nan 8.190 nan 0.000 1.056 280 G N -2.803 105.951 108.800 -0.077 0.000 2.217 280 G HA2 -0.336 3.624 3.960 0.000 0.000 0.246 280 G HA3 -0.336 3.624 3.960 0.000 0.000 0.246 280 G C -0.019 174.774 174.900 -0.179 0.000 0.990 280 G CA 0.310 45.317 45.100 -0.155 0.000 0.627 280 G HN 0.818 nan 8.290 nan 0.000 0.522 281 Y N 2.118 122.422 120.300 0.006 0.000 2.223 281 Y HA 0.398 4.948 4.550 0.000 0.000 0.352 281 Y C 1.528 177.415 175.900 -0.022 0.000 1.293 281 Y CA 0.307 58.400 58.100 -0.012 0.000 1.601 281 Y CB 0.234 38.693 38.460 -0.002 0.000 1.407 281 Y HN 0.426 nan 8.280 nan 0.000 0.639 282 Q N 1.355 121.253 119.800 0.164 0.000 2.394 282 Q HA 0.141 4.481 4.340 0.000 0.000 0.248 282 Q C -2.380 173.657 176.000 0.061 0.000 0.992 282 Q CA -1.785 54.056 55.803 0.064 0.000 0.888 282 Q CB 0.802 29.551 28.738 0.017 0.000 1.257 282 Q HN 0.323 nan 8.270 nan 0.000 0.462 283 P HA -0.084 nan 4.420 nan 0.000 0.221 283 P C 0.806 178.119 177.300 0.021 0.000 1.150 283 P CA 1.503 64.620 63.100 0.028 0.000 0.800 283 P CB -0.054 31.656 31.700 0.016 0.000 0.787 284 T N -3.429 111.133 114.554 0.012 0.000 3.273 284 T HA 0.182 4.532 4.350 0.000 0.000 0.254 284 T C 1.270 175.971 174.700 0.002 0.000 1.002 284 T CA -0.354 61.750 62.100 0.006 0.000 0.913 284 T CB -0.951 67.913 68.868 -0.005 0.000 1.056 284 T HN -0.133 nan 8.240 nan 0.000 0.576 285 L N 1.694 122.921 121.223 0.007 0.000 1.989 285 L HA 0.063 4.403 4.340 0.000 0.000 0.211 285 L C 2.674 179.550 176.870 0.009 0.000 1.071 285 L CA 2.292 57.124 54.840 -0.013 0.000 0.749 285 L CB -1.011 41.031 42.059 -0.029 0.000 0.890 285 L HN 0.367 nan 8.230 nan 0.000 0.431 286 A N -1.397 121.441 122.820 0.029 0.000 1.969 286 A HA -0.170 4.150 4.320 0.000 0.000 0.218 286 A C 2.327 179.962 177.584 0.085 0.000 1.169 286 A CA 2.127 54.203 52.037 0.065 0.000 0.635 286 A CB -1.230 17.802 19.000 0.053 0.000 0.810 286 A HN 0.672 nan 8.150 nan 0.000 0.445 287 T N -2.894 111.694 114.554 0.056 0.000 2.894 287 T HA -0.077 4.273 4.350 0.000 0.000 0.258 287 T C 1.340 176.080 174.700 0.067 0.000 1.043 287 T CA 1.154 63.288 62.100 0.058 0.000 1.141 287 T CB -0.424 68.465 68.868 0.034 0.000 0.873 287 T HN 0.282 nan 8.240 nan 0.000 0.449 288 D N 0.928 121.357 120.400 0.048 0.000 2.190 288 D HA -0.076 4.564 4.640 0.000 0.000 0.200 288 D C 1.829 178.231 176.300 0.170 0.000 0.992 288 D CA 1.144 55.178 54.000 0.056 0.000 0.854 288 D CB -0.281 40.490 40.800 -0.049 0.000 0.936 288 D HN 0.395 nan 8.370 nan 0.000 0.462 289 M N 0.106 119.801 119.600 0.158 0.000 2.191 289 M HA 0.125 4.605 4.480 0.000 0.000 0.262 289 M C 2.013 178.328 176.300 0.025 0.000 1.083 289 M CA 1.760 57.169 55.300 0.183 0.000 1.154 289 M CB -0.590 32.100 32.600 0.149 0.000 1.344 289 M HN -0.062 nan 8.290 nan 0.000 0.431 290 G N -0.835 108.017 108.800 0.087 0.000 2.418 290 G HA2 -0.248 3.712 3.960 0.000 0.000 0.217 290 G HA3 -0.248 3.712 3.960 0.000 0.000 0.217 290 G C 1.448 176.377 174.900 0.047 0.000 1.158 290 G CA 1.635 46.794 45.100 0.099 0.000 0.771 290 G HN 0.611 nan 8.290 nan 0.000 0.545 291 T N -1.829 112.763 114.554 0.064 0.000 2.977 291 T HA -0.020 4.330 4.350 0.000 0.000 0.271 291 T C 2.058 176.781 174.700 0.038 0.000 1.105 291 T CA 1.527 63.661 62.100 0.057 0.000 1.116 291 T CB -0.044 68.865 68.868 0.068 0.000 0.878 291 T HN 0.194 nan 8.240 nan 0.000 0.509 292 M N -0.044 119.564 119.600 0.012 0.000 2.553 292 M HA 0.140 4.620 4.480 0.000 0.000 0.255 292 M C 2.134 178.346 176.300 -0.147 0.000 1.181 292 M CA 0.964 56.224 55.300 -0.066 0.000 1.210 292 M CB -0.463 32.074 32.600 -0.105 0.000 1.280 292 M HN 0.047 nan 8.290 nan 0.000 0.495 293 Q N 1.349 121.007 119.800 -0.237 0.000 2.133 293 Q HA -0.186 4.154 4.340 0.000 0.000 0.208 293 Q C 1.739 177.658 176.000 -0.136 0.000 0.991 293 Q CA 1.664 57.288 55.803 -0.298 0.000 0.867 293 Q CB -0.674 27.631 28.738 -0.722 0.000 0.911 293 Q HN 0.581 nan 8.270 nan 0.000 0.417 294 E N -0.000 120.165 120.200 -0.058 0.000 2.338 294 E HA -0.125 4.225 4.350 0.000 0.000 0.197 294 E C 1.687 178.285 176.600 -0.004 0.000 1.007 294 E CA 0.374 56.782 56.400 0.014 0.000 0.849 294 E CB -0.057 29.677 29.700 0.057 0.000 0.774 294 E HN 0.341 nan 8.360 nan 0.000 0.506 295 R N 0.153 120.636 120.500 -0.028 0.000 2.307 295 R HA 0.136 4.476 4.340 0.000 0.000 0.199 295 R C 0.666 176.942 176.300 -0.040 0.000 1.000 295 R CA 0.194 56.278 56.100 -0.026 0.000 1.023 295 R CB 0.191 30.473 30.300 -0.029 0.000 0.908 295 R HN 0.041 nan 8.270 nan 0.000 0.473 296 I N 1.813 122.350 120.570 -0.055 0.000 2.306 296 I HA 0.146 4.316 4.170 0.000 0.000 0.288 296 I C -0.250 175.839 176.117 -0.046 0.000 1.036 296 I CA -0.029 61.233 61.300 -0.064 0.000 1.221 296 I CB 1.217 39.159 38.000 -0.097 0.000 1.385 296 I HN 0.099 nan 8.210 nan 0.000 0.472 297 T N 0.169 114.699 114.554 -0.041 0.000 2.658 297 T HA 0.241 4.591 4.350 0.000 0.000 0.305 297 T C -0.495 174.181 174.700 -0.040 0.000 1.551 297 T CA -0.897 61.181 62.100 -0.037 0.000 0.985 297 T CB 1.243 70.097 68.868 -0.025 0.000 1.731 297 T HN 0.170 nan 8.240 nan 0.000 0.486 298 T N 2.765 117.294 114.554 -0.042 0.000 2.811 298 T HA 0.595 4.945 4.350 0.000 0.000 0.309 298 T C 0.719 175.391 174.700 -0.045 0.000 1.005 298 T CA -0.491 61.583 62.100 -0.044 0.000 0.955 298 T CB 0.167 69.007 68.868 -0.047 0.000 0.970 298 T HN 0.922 nan 8.240 nan 0.000 0.496 299 T N 0.739 115.268 114.554 -0.041 0.000 2.888 299 T HA 0.434 4.784 4.350 0.000 0.000 0.283 299 T C 1.366 176.040 174.700 -0.043 0.000 1.013 299 T CA -0.898 61.176 62.100 -0.042 0.000 0.938 299 T CB 1.193 70.040 68.868 -0.034 0.000 1.298 299 T HN 0.290 nan 8.240 nan 0.000 0.580 300 K N -0.016 120.358 120.400 -0.043 0.000 2.148 300 K HA 0.031 4.351 4.320 0.000 0.000 0.204 300 K C 2.386 178.965 176.600 -0.034 0.000 1.050 300 K CA 1.036 57.299 56.287 -0.039 0.000 0.942 300 K CB -0.083 32.394 32.500 -0.039 0.000 0.724 300 K HN 0.486 nan 8.250 nan 0.000 0.446 301 K N -0.500 119.879 120.400 -0.034 0.000 2.057 301 K HA -0.026 4.294 4.320 0.000 0.000 0.206 301 K C 1.184 177.765 176.600 -0.033 0.000 1.050 301 K CA 1.137 57.403 56.287 -0.035 0.000 0.935 301 K CB 0.214 32.689 32.500 -0.042 0.000 0.715 301 K HN 0.272 nan 8.250 nan 0.000 0.439 302 G N -0.591 108.190 108.800 -0.032 0.000 2.562 302 G HA2 0.309 4.269 3.960 0.000 0.000 0.190 302 G HA3 0.309 4.269 3.960 0.000 0.000 0.190 302 G C -1.505 173.376 174.900 -0.032 0.000 1.196 302 G CA -0.064 45.019 45.100 -0.028 0.000 0.986 302 G HN 0.170 nan 8.290 nan 0.000 0.512 303 S N -1.118 114.564 115.700 -0.029 0.000 2.558 303 S HA 0.647 5.117 4.470 0.000 0.000 0.277 303 S C -1.435 173.145 174.600 -0.033 0.000 1.143 303 S CA -0.759 57.419 58.200 -0.038 0.000 0.865 303 S CB 1.263 64.431 63.200 -0.053 0.000 1.102 303 S HN 0.839 nan 8.310 nan 0.000 0.454 304 I N 2.235 122.782 120.570 -0.039 0.000 2.404 304 I HA 0.455 4.625 4.170 0.000 0.000 0.293 304 I C -0.260 175.810 176.117 -0.079 0.000 0.992 304 I CA -0.490 60.783 61.300 -0.045 0.000 1.149 304 I CB 2.200 40.178 38.000 -0.037 0.000 1.315 304 I HN 0.673 nan 8.210 nan 0.000 0.446 305 T N 4.062 118.553 114.554 -0.105 0.000 2.779 305 T HA 0.271 4.621 4.350 0.000 0.000 0.280 305 T C -0.351 174.228 174.700 -0.200 0.000 0.987 305 T CA -0.375 61.644 62.100 -0.136 0.000 0.966 305 T CB 1.497 70.296 68.868 -0.116 0.000 0.933 305 T HN 0.500 nan 8.240 nan 0.000 0.442 306 S N 2.354 117.928 115.700 -0.210 0.000 2.449 306 S HA 0.580 5.050 4.470 0.000 0.000 0.310 306 S C -0.392 174.047 174.600 -0.268 0.000 1.096 306 S CA -0.618 57.432 58.200 -0.250 0.000 1.095 306 S CB 0.560 63.642 63.200 -0.198 0.000 1.007 306 S HN 0.479 nan 8.310 nan 0.000 0.474 307 V N 6.175 125.899 119.914 -0.317 0.000 2.333 307 V HA 0.402 4.523 4.120 0.000 0.000 0.274 307 V C -0.182 175.924 176.094 0.021 0.000 1.028 307 V CA -0.487 61.735 62.300 -0.130 0.000 0.851 307 V CB 1.075 32.939 31.823 0.068 0.000 1.000 307 V HN 0.819 nan 8.190 nan 0.000 0.456 308 Q N 3.205 123.002 119.800 -0.005 0.000 2.333 308 Q HA 0.692 5.032 4.340 0.000 0.000 0.265 308 Q C -0.152 175.885 176.000 0.061 0.000 0.989 308 Q CA -0.508 55.299 55.803 0.006 0.000 0.842 308 Q CB 2.248 30.950 28.738 -0.059 0.000 1.262 308 Q HN 0.873 nan 8.270 nan 0.000 0.451 309 A N 4.316 127.185 122.820 0.082 0.000 2.354 309 A HA 0.452 4.772 4.320 0.000 0.000 0.281 309 A C -0.370 177.251 177.584 0.062 0.000 1.174 309 A CA -0.266 51.828 52.037 0.096 0.000 0.828 309 A CB -0.013 19.059 19.000 0.121 0.000 1.099 309 A HN 0.741 nan 8.150 nan 0.000 0.516 310 I N 2.370 122.927 120.570 -0.020 0.000 2.377 310 I HA 0.276 4.446 4.170 0.000 0.000 0.293 310 I C -0.666 175.375 176.117 -0.126 0.000 0.987 310 I CA -0.606 60.638 61.300 -0.093 0.000 1.185 310 I CB 1.510 39.325 38.000 -0.308 0.000 1.341 310 I HN 0.733 nan 8.210 nan 0.000 0.455 311 Y N 6.605 126.819 120.300 -0.143 0.000 2.331 311 Y HA 0.575 5.125 4.550 0.000 0.000 0.338 311 Y C -0.947 174.749 175.900 -0.339 0.000 0.992 311 Y CA -0.801 57.150 58.100 -0.248 0.000 1.121 311 Y CB 1.392 39.698 38.460 -0.256 0.000 1.184 311 Y HN 0.253 nan 8.280 nan 0.000 0.469 312 V N 9.496 128.846 119.914 -0.939 0.000 2.350 312 V HA 0.351 4.471 4.120 0.000 0.000 0.276 312 V C -2.081 173.416 176.094 -0.994 0.000 1.028 312 V CA -1.988 59.875 62.300 -0.727 0.000 0.860 312 V CB 1.008 32.597 31.823 -0.389 0.000 0.990 312 V HN 0.715 nan 8.190 nan 0.000 0.453 313 P HA 0.158 nan 4.420 nan 0.000 0.271 313 P C 0.503 177.677 177.300 -0.210 0.000 1.216 313 P CA 0.536 63.388 63.100 -0.413 0.000 0.776 313 P CB 0.968 32.629 31.700 -0.065 0.000 0.881 314 A N 3.004 125.747 122.820 -0.128 0.000 2.767 314 A HA -0.273 4.047 4.320 0.000 0.000 0.282 314 A C 0.949 178.478 177.584 -0.091 0.000 1.416 314 A CA 1.504 53.500 52.037 -0.068 0.000 0.932 314 A CB -2.567 16.421 19.000 -0.021 0.000 0.979 314 A HN 0.591 nan 8.150 nan 0.000 0.616 315 D N -1.814 118.490 120.400 -0.160 0.000 3.039 315 D HA -0.179 4.461 4.640 0.000 0.000 0.222 315 D C -0.229 176.017 176.300 -0.090 0.000 1.179 315 D CA 2.005 55.929 54.000 -0.126 0.000 0.880 315 D CB -0.965 39.790 40.800 -0.074 0.000 1.115 315 D HN 0.901 nan 8.370 nan 0.000 0.416 316 D N 0.337 120.683 120.400 -0.091 0.000 2.456 316 D HA 0.214 4.854 4.640 0.000 0.000 0.219 316 D C 1.536 177.796 176.300 -0.067 0.000 1.126 316 D CA -0.388 53.577 54.000 -0.058 0.000 0.890 316 D CB 0.100 40.883 40.800 -0.027 0.000 1.025 316 D HN 0.140 nan 8.370 nan 0.000 0.511 317 L N 2.353 123.528 121.223 -0.080 0.000 2.353 317 L HA -0.111 4.229 4.340 0.000 0.000 0.220 317 L C 2.054 178.848 176.870 -0.127 0.000 1.133 317 L CA 1.349 56.116 54.840 -0.121 0.000 0.798 317 L CB -0.227 41.736 42.059 -0.160 0.000 0.922 317 L HN 0.464 nan 8.230 nan 0.000 0.445 318 T N -4.912 109.597 114.554 -0.075 0.000 3.163 318 T HA 0.008 4.358 4.350 0.000 0.000 0.252 318 T C 0.595 175.287 174.700 -0.012 0.000 1.056 318 T CA -0.546 61.522 62.100 -0.054 0.000 0.947 318 T CB -0.266 68.578 68.868 -0.040 0.000 1.016 318 T HN 0.124 nan 8.240 nan 0.000 0.554 319 D N 2.342 122.744 120.400 0.003 0.000 2.424 319 D HA 0.089 4.729 4.640 0.000 0.000 0.244 319 D C -1.424 174.901 176.300 0.042 0.000 1.134 319 D CA -1.746 52.293 54.000 0.065 0.000 0.881 319 D CB 1.841 42.702 40.800 0.102 0.000 1.191 319 D HN -0.013 nan 8.370 nan 0.000 0.445 320 P HA -0.198 nan 4.420 nan 0.000 0.217 320 P C 0.866 178.009 177.300 -0.263 0.000 1.151 320 P CA 1.790 64.833 63.100 -0.095 0.000 0.849 320 P CB 0.092 31.750 31.700 -0.069 0.000 0.787 321 A N 0.078 122.675 122.820 -0.372 0.000 1.835 321 A HA -0.117 4.203 4.320 0.000 0.000 0.215 321 A C -0.022 177.587 177.584 0.042 0.000 1.199 321 A CA 2.285 54.173 52.037 -0.247 0.000 0.615 321 A CB -2.221 16.811 19.000 0.054 0.000 0.838 321 A HN 0.207 nan 8.150 nan 0.000 0.444 322 P HA -0.154 nan 4.420 nan 0.000 0.214 322 P C 1.731 179.169 177.300 0.230 0.000 1.163 322 P CA 2.238 65.455 63.100 0.195 0.000 0.883 322 P CB -0.344 31.424 31.700 0.112 0.000 0.788 323 A N -0.505 122.361 122.820 0.077 0.000 1.903 323 A HA -0.255 4.065 4.320 0.000 0.000 0.219 323 A C 2.405 180.063 177.584 0.124 0.000 1.191 323 A CA 3.003 55.068 52.037 0.046 0.000 0.638 323 A CB -2.103 16.890 19.000 -0.011 0.000 0.823 323 A HN 0.211 nan 8.150 nan 0.000 0.451 324 T N -0.161 114.444 114.554 0.085 0.000 2.652 324 T HA -0.149 4.201 4.350 0.000 0.000 0.267 324 T C 2.039 176.860 174.700 0.201 0.000 1.039 324 T CA 2.115 64.275 62.100 0.100 0.000 1.153 324 T CB -0.686 68.205 68.868 0.039 0.000 0.863 324 T HN 0.646 nan 8.240 nan 0.000 0.428 325 T N 1.704 116.395 114.554 0.228 0.000 2.699 325 T HA -0.100 4.250 4.350 0.000 0.000 0.268 325 T C 1.552 176.408 174.700 0.261 0.000 1.036 325 T CA 1.156 63.404 62.100 0.246 0.000 1.147 325 T CB -0.621 68.363 68.868 0.193 0.000 0.862 325 T HN 0.284 nan 8.240 nan 0.000 0.446 326 F N 1.686 121.697 119.950 0.101 0.000 2.408 326 F HA 0.093 4.620 4.527 0.000 0.000 0.300 326 F C 2.483 178.311 175.800 0.047 0.000 1.090 326 F CA 0.078 58.129 58.000 0.085 0.000 1.427 326 F CB -0.791 38.250 39.000 0.069 0.000 1.070 326 F HN 0.153 nan 8.300 nan 0.000 0.549 327 A N -1.060 121.868 122.820 0.179 0.000 2.076 327 A HA -0.190 4.130 4.320 0.000 0.000 0.220 327 A C 1.833 179.306 177.584 -0.184 0.000 1.160 327 A CA 1.667 53.681 52.037 -0.037 0.000 0.653 327 A CB -0.760 18.148 19.000 -0.154 0.000 0.801 327 A HN 0.491 nan 8.150 nan 0.000 0.455 328 H N -1.432 117.656 119.070 0.030 0.000 2.750 328 H HA 0.286 4.842 4.556 0.000 0.000 0.263 328 H C 0.029 175.326 175.328 -0.051 0.000 0.964 328 H CA -0.193 55.848 56.048 -0.011 0.000 1.205 328 H CB 0.143 29.893 29.762 -0.021 0.000 1.454 328 H HN 0.322 nan 8.280 nan 0.000 0.503 329 L N 2.061 123.300 121.223 0.025 0.000 2.380 329 L HA 0.051 4.391 4.340 0.000 0.000 0.273 329 L C 0.803 177.637 176.870 -0.061 0.000 1.138 329 L CA 0.097 54.887 54.840 -0.082 0.000 0.832 329 L CB 0.867 42.774 42.059 -0.253 0.000 1.124 329 L HN 0.068 nan 8.230 nan 0.000 0.454 330 D N 2.030 122.383 120.400 -0.079 0.000 2.379 330 D HA 0.328 4.968 4.640 0.000 0.000 0.208 330 D C 0.290 176.551 176.300 -0.065 0.000 1.065 330 D CA 0.394 54.359 54.000 -0.058 0.000 0.848 330 D CB 1.235 42.001 40.800 -0.057 0.000 0.949 330 D HN 0.613 nan 8.370 nan 0.000 0.509 331 A N 0.299 123.055 122.820 -0.105 0.000 2.581 331 A HA 0.468 4.788 4.320 0.000 0.000 0.294 331 A C -0.781 176.718 177.584 -0.141 0.000 1.035 331 A CA -0.736 51.243 52.037 -0.096 0.000 0.684 331 A CB 1.003 19.962 19.000 -0.068 0.000 1.282 331 A HN -0.030 nan 8.150 nan 0.000 0.417 332 T N -1.119 113.364 114.554 -0.119 0.000 2.863 332 T HA 0.770 5.120 4.350 0.000 0.000 0.285 332 T C -0.565 174.081 174.700 -0.090 0.000 1.009 332 T CA -0.489 61.507 62.100 -0.173 0.000 0.989 332 T CB 1.776 70.435 68.868 -0.348 0.000 1.004 332 T HN 0.805 nan 8.240 nan 0.000 0.455 333 T N 2.886 117.423 114.554 -0.028 0.000 2.912 333 T HA 0.437 4.787 4.350 0.000 0.000 0.326 333 T C -0.257 174.476 174.700 0.055 0.000 1.080 333 T CA -0.498 61.649 62.100 0.078 0.000 1.000 333 T CB 0.484 69.488 68.868 0.226 0.000 1.008 333 T HN 0.658 nan 8.240 nan 0.000 0.473 334 V N 6.036 125.937 119.914 -0.021 0.000 2.339 334 V HA 0.320 4.440 4.120 0.000 0.000 0.261 334 V C 0.449 176.584 176.094 0.068 0.000 1.058 334 V CA -0.706 61.598 62.300 0.006 0.000 0.897 334 V CB 0.149 31.923 31.823 -0.082 0.000 1.052 334 V HN 0.733 nan 8.190 nan 0.000 0.480 335 L N 4.071 125.367 121.223 0.121 0.000 2.367 335 L HA 0.393 4.733 4.340 0.000 0.000 0.275 335 L C 0.599 177.500 176.870 0.053 0.000 1.129 335 L CA 0.451 55.340 54.840 0.083 0.000 0.839 335 L CB 1.379 43.502 42.059 0.107 0.000 1.133 335 L HN 0.694 nan 8.230 nan 0.000 0.453 336 S N 3.233 118.933 115.700 -0.000 0.000 2.552 336 S HA 0.336 4.806 4.470 0.000 0.000 0.314 336 S C 0.895 175.467 174.600 -0.046 0.000 1.099 336 S CA -0.766 57.427 58.200 -0.011 0.000 1.070 336 S CB 1.394 64.584 63.200 -0.018 0.000 0.998 336 S HN 0.671 nan 8.310 nan 0.000 0.474 337 R N 2.772 123.261 120.500 -0.019 0.000 2.127 337 R HA -0.111 4.229 4.340 0.000 0.000 0.238 337 R C 2.284 178.563 176.300 -0.035 0.000 1.134 337 R CA 1.628 57.713 56.100 -0.024 0.000 0.975 337 R CB -0.447 29.856 30.300 0.005 0.000 0.865 337 R HN 0.780 nan 8.270 nan 0.000 0.447 338 A N 1.201 124.005 122.820 -0.027 0.000 1.898 338 A HA -0.132 4.188 4.320 0.000 0.000 0.216 338 A C 2.037 179.597 177.584 -0.040 0.000 1.181 338 A CA 1.038 53.060 52.037 -0.025 0.000 0.620 338 A CB -0.296 18.694 19.000 -0.018 0.000 0.819 338 A HN 0.092 nan 8.150 nan 0.000 0.442 339 I N 0.009 120.543 120.570 -0.060 0.000 2.179 339 I HA -0.241 3.929 4.170 0.000 0.000 0.242 339 I C 3.001 179.039 176.117 -0.131 0.000 1.088 339 I CA 1.490 62.744 61.300 -0.076 0.000 1.357 339 I CB -1.610 36.341 38.000 -0.082 0.000 1.051 339 I HN 0.369 nan 8.210 nan 0.000 0.409 340 A N 0.583 123.262 122.820 -0.236 0.000 1.917 340 A HA -0.247 4.073 4.320 0.000 0.000 0.219 340 A C 2.206 179.731 177.584 -0.098 0.000 1.182 340 A CA 1.814 53.617 52.037 -0.391 0.000 0.633 340 A CB -0.819 17.881 19.000 -0.500 0.000 0.819 340 A HN 0.484 nan 8.150 nan 0.000 0.448 341 E N -0.563 119.614 120.200 -0.039 0.000 2.331 341 E HA -0.115 4.235 4.350 0.000 0.000 0.199 341 E C 1.358 177.975 176.600 0.029 0.000 1.008 341 E CA 0.673 57.084 56.400 0.018 0.000 0.843 341 E CB -0.212 29.495 29.700 0.012 0.000 0.761 341 E HN 0.651 nan 8.360 nan 0.000 0.507 342 L N -1.056 120.177 121.223 0.017 0.000 2.591 342 L HA 0.140 4.480 4.340 0.000 0.000 0.228 342 L C 1.540 178.449 176.870 0.065 0.000 1.133 342 L CA 0.431 55.289 54.840 0.030 0.000 0.880 342 L CB 0.210 42.283 42.059 0.023 0.000 1.033 342 L HN 0.311 nan 8.230 nan 0.000 0.450 343 G N 0.389 109.259 108.800 0.117 0.000 2.234 343 G HA2 -0.258 3.702 3.960 0.000 0.000 0.235 343 G HA3 -0.258 3.702 3.960 0.000 0.000 0.235 343 G C 0.451 175.575 174.900 0.372 0.000 0.997 343 G CA -0.398 44.855 45.100 0.256 0.000 0.623 343 G HN 0.195 nan 8.290 nan 0.000 0.514 344 I N 1.115 121.800 120.570 0.191 0.000 2.742 344 I HA 0.223 4.393 4.170 0.000 0.000 0.287 344 I C -0.005 176.089 176.117 -0.039 0.000 1.186 344 I CA 0.840 62.225 61.300 0.141 0.000 1.417 344 I CB -0.104 37.941 38.000 0.074 0.000 1.377 344 I HN 0.175 nan 8.210 nan 0.000 0.556 345 Y N 6.811 127.090 120.300 -0.035 0.000 2.441 345 Y HA 0.299 4.849 4.550 0.000 0.000 0.334 345 Y C -2.246 173.501 175.900 -0.255 0.000 1.061 345 Y CA -2.338 55.674 58.100 -0.147 0.000 1.032 345 Y CB 1.928 40.273 38.460 -0.191 0.000 1.266 345 Y HN 0.419 nan 8.280 nan 0.000 0.441 346 P HA 0.070 nan 4.420 nan 0.000 0.267 346 P C 0.036 177.298 177.300 -0.064 0.000 1.205 346 P CA 0.074 63.124 63.100 -0.083 0.000 0.765 346 P CB 1.018 32.722 31.700 0.007 0.000 0.828 347 A N 4.091 126.804 122.820 -0.178 0.000 2.150 347 A HA 0.086 4.406 4.320 0.000 0.000 0.220 347 A C 0.765 178.295 177.584 -0.091 0.000 1.356 347 A CA 0.017 51.904 52.037 -0.249 0.000 1.145 347 A CB -1.147 17.588 19.000 -0.442 0.000 0.826 347 A HN 0.413 nan 8.150 nan 0.000 0.524 348 V N 0.728 120.627 119.914 -0.025 0.000 2.811 348 V HA 0.063 4.183 4.120 0.000 0.000 0.302 348 V C 0.357 176.446 176.094 -0.008 0.000 1.063 348 V CA -0.317 61.989 62.300 0.011 0.000 1.088 348 V CB 1.338 33.185 31.823 0.041 0.000 0.982 348 V HN 0.546 nan 8.190 nan 0.000 0.485 349 D N 5.860 126.256 120.400 -0.006 0.000 2.359 349 D HA 0.276 4.916 4.640 0.000 0.000 0.230 349 D C -1.485 174.803 176.300 -0.020 0.000 1.118 349 D CA -2.166 51.824 54.000 -0.016 0.000 0.844 349 D CB 1.928 42.717 40.800 -0.019 0.000 1.059 349 D HN 0.220 nan 8.370 nan 0.000 0.493 350 P HA -0.051 nan 4.420 nan 0.000 0.226 350 P C 1.253 178.532 177.300 -0.035 0.000 1.153 350 P CA 0.690 63.770 63.100 -0.034 0.000 0.777 350 P CB 0.566 32.247 31.700 -0.031 0.000 0.794 351 L N -1.551 119.655 121.223 -0.028 0.000 2.537 351 L HA 0.171 4.511 4.340 0.000 0.000 0.224 351 L C 1.654 178.503 176.870 -0.034 0.000 1.065 351 L CA 0.587 55.410 54.840 -0.029 0.000 0.860 351 L CB -0.310 41.735 42.059 -0.023 0.000 1.086 351 L HN -0.177 nan 8.230 nan 0.000 0.482 352 D N -0.301 120.075 120.400 -0.040 0.000 2.301 352 D HA 0.021 4.661 4.640 0.000 0.000 0.206 352 D C 0.692 176.942 176.300 -0.083 0.000 0.979 352 D CA 0.386 54.353 54.000 -0.056 0.000 0.874 352 D CB 0.396 41.163 40.800 -0.055 0.000 0.968 352 D HN -0.008 nan 8.370 nan 0.000 0.510 353 S N 0.088 115.746 115.700 -0.070 0.000 2.548 353 S HA 0.429 4.899 4.470 0.000 0.000 0.277 353 S C 0.470 175.041 174.600 -0.047 0.000 1.315 353 S CA -0.378 57.779 58.200 -0.073 0.000 1.050 353 S CB 1.199 64.383 63.200 -0.027 0.000 0.918 353 S HN 0.315 nan 8.310 nan 0.000 0.497 354 T N -0.781 113.743 114.554 -0.051 0.000 2.838 354 T HA 0.797 5.147 4.350 0.000 0.000 0.292 354 T C -0.671 174.027 174.700 -0.003 0.000 1.113 354 T CA -0.840 61.248 62.100 -0.021 0.000 1.008 354 T CB 1.918 70.775 68.868 -0.019 0.000 1.259 354 T HN 0.457 nan 8.240 nan 0.000 0.520 355 S N -1.313 114.393 115.700 0.009 0.000 2.543 355 S HA 0.412 4.882 4.470 0.000 0.000 0.271 355 S C 0.638 175.244 174.600 0.011 0.000 1.148 355 S CA -0.789 57.419 58.200 0.014 0.000 0.914 355 S CB 1.725 64.946 63.200 0.034 0.000 1.096 355 S HN 0.789 nan 8.310 nan 0.000 0.471 356 R N 2.131 122.633 120.500 0.002 0.000 2.092 356 R HA 0.031 4.371 4.340 0.000 0.000 0.231 356 R C 1.867 178.162 176.300 -0.008 0.000 1.119 356 R CA 1.865 57.965 56.100 0.000 0.000 0.970 356 R CB -0.457 29.840 30.300 -0.005 0.000 0.864 356 R HN 0.825 nan 8.270 nan 0.000 0.440 357 I N -1.826 118.737 120.570 -0.012 0.000 3.456 357 I HA 0.026 4.196 4.170 0.000 0.000 0.291 357 I C 0.611 176.704 176.117 -0.040 0.000 1.307 357 I CA 0.386 61.670 61.300 -0.027 0.000 1.333 357 I CB -0.034 37.951 38.000 -0.024 0.000 1.032 357 I HN 0.008 nan 8.210 nan 0.000 0.506 358 M N 3.036 122.632 119.600 -0.006 0.000 3.436 358 M HA 0.222 4.702 4.480 0.000 0.000 0.240 358 M C -1.009 175.347 176.300 0.095 0.000 1.469 358 M CA 0.539 55.863 55.300 0.041 0.000 1.622 358 M CB -1.142 31.498 32.600 0.066 0.000 1.098 358 M HN 0.254 nan 8.290 nan 0.000 0.568 359 D N 2.504 122.867 120.400 -0.063 0.000 2.863 359 D HA 0.403 5.043 4.640 0.000 0.000 0.245 359 D C -1.852 174.221 176.300 -0.379 0.000 1.211 359 D CA -1.525 52.297 54.000 -0.297 0.000 0.888 359 D CB 2.344 43.032 40.800 -0.186 0.000 1.483 359 D HN 0.069 nan 8.370 nan 0.000 0.533 360 P HA -0.162 nan 4.420 nan 0.000 0.217 360 P C 0.463 177.641 177.300 -0.204 0.000 1.148 360 P CA 1.116 63.967 63.100 -0.415 0.000 0.828 360 P CB 0.207 31.593 31.700 -0.522 0.000 0.783 361 N N -1.191 117.374 118.700 -0.224 0.000 2.573 361 N HA 0.006 4.746 4.740 0.000 0.000 0.187 361 N C 1.545 177.002 175.510 -0.088 0.000 1.107 361 N CA 0.656 53.630 53.050 -0.127 0.000 0.918 361 N CB -0.211 38.206 38.487 -0.117 0.000 0.966 361 N HN 0.262 nan 8.380 nan 0.000 0.448 362 I N -1.864 118.647 120.570 -0.097 0.000 4.228 362 I HA -0.000 4.170 4.170 0.000 0.000 0.298 362 I C 1.297 177.387 176.117 -0.044 0.000 1.206 362 I CA 0.224 61.486 61.300 -0.063 0.000 1.322 362 I CB 0.349 38.310 38.000 -0.066 0.000 1.411 362 I HN -0.043 nan 8.210 nan 0.000 0.454 363 V N -0.897 118.977 119.914 -0.067 0.000 3.650 363 V HA 0.551 4.671 4.120 0.000 0.000 0.271 363 V C 0.893 177.025 176.094 0.064 0.000 1.281 363 V CA 0.161 62.427 62.300 -0.057 0.000 1.120 363 V CB -0.844 30.766 31.823 -0.355 0.000 0.856 363 V HN 0.461 nan 8.190 nan 0.000 0.443 364 G N 0.885 109.708 108.800 0.039 0.000 2.862 364 G HA2 -0.154 3.806 3.960 0.000 0.000 0.686 364 G HA3 -0.154 3.806 3.960 0.000 0.000 0.686 364 G C 0.483 175.462 174.900 0.133 0.000 1.134 364 G CA 0.533 45.676 45.100 0.071 0.000 0.791 364 G HN 1.177 nan 8.290 nan 0.000 0.592 365 S N 0.517 116.281 115.700 0.107 0.000 2.406 365 S HA -0.305 4.165 4.470 0.000 0.000 0.242 365 S C 1.920 176.634 174.600 0.190 0.000 1.079 365 S CA 2.648 60.940 58.200 0.153 0.000 1.133 365 S CB -0.340 62.917 63.200 0.095 0.000 1.005 365 S HN 1.032 nan 8.310 nan 0.000 0.443 366 E N -0.019 120.270 120.200 0.148 0.000 2.000 366 E HA -0.290 4.060 4.350 0.000 0.000 0.199 366 E C 2.023 178.735 176.600 0.187 0.000 1.011 366 E CA 1.654 58.135 56.400 0.136 0.000 0.836 366 E CB -0.721 29.041 29.700 0.104 0.000 0.778 366 E HN 0.876 nan 8.360 nan 0.000 0.462 367 H N -1.332 117.792 119.070 0.089 0.000 2.267 367 H HA -0.281 4.275 4.556 0.000 0.000 0.291 367 H C 2.303 177.688 175.328 0.095 0.000 1.094 367 H CA 2.141 58.238 56.048 0.082 0.000 1.227 367 H CB -0.351 29.460 29.762 0.082 0.000 1.351 367 H HN 0.326 nan 8.280 nan 0.000 0.483 368 Y N 1.744 122.124 120.300 0.132 0.000 2.114 368 Y HA -0.298 4.252 4.550 0.000 0.000 0.282 368 Y C 2.185 178.118 175.900 0.055 0.000 1.165 368 Y CA 2.156 60.274 58.100 0.030 0.000 1.148 368 Y CB -0.483 37.972 38.460 -0.009 0.000 0.972 368 Y HN 0.390 nan 8.280 nan 0.000 0.504 369 D N -0.729 119.683 120.400 0.021 0.000 2.117 369 D HA -0.160 4.480 4.640 0.000 0.000 0.198 369 D C 2.453 178.711 176.300 -0.070 0.000 0.982 369 D CA 1.584 55.541 54.000 -0.072 0.000 0.828 369 D CB -0.476 40.351 40.800 0.046 0.000 0.967 369 D HN 0.331 nan 8.370 nan 0.000 0.464 370 V N 1.871 121.791 119.914 0.010 0.000 2.255 370 V HA -0.281 3.839 4.120 0.000 0.000 0.247 370 V C 2.637 178.716 176.094 -0.026 0.000 1.051 370 V CA 1.968 64.284 62.300 0.026 0.000 1.018 370 V CB -0.964 30.901 31.823 0.070 0.000 0.641 370 V HN 0.178 nan 8.190 nan 0.000 0.445 371 A N 0.175 122.974 122.820 -0.034 0.000 1.869 371 A HA -0.270 4.051 4.320 0.000 0.000 0.218 371 A C 2.242 179.730 177.584 -0.161 0.000 1.203 371 A CA 2.016 54.001 52.037 -0.087 0.000 0.638 371 A CB -0.599 18.382 19.000 -0.031 0.000 0.831 371 A HN 0.428 nan 8.150 nan 0.000 0.450 372 R N -0.378 119.955 120.500 -0.278 0.000 2.293 372 R HA -0.085 4.255 4.340 0.000 0.000 0.219 372 R C 2.057 178.270 176.300 -0.144 0.000 1.091 372 R CA 0.993 56.926 56.100 -0.278 0.000 1.004 372 R CB -1.099 28.918 30.300 -0.472 0.000 0.865 372 R HN 0.600 nan 8.270 nan 0.000 0.469 373 G N -0.155 108.586 108.800 -0.098 0.000 2.437 373 G HA2 -0.099 3.861 3.960 0.000 0.000 0.212 373 G HA3 -0.099 3.861 3.960 0.000 0.000 0.212 373 G C 1.503 176.393 174.900 -0.016 0.000 1.174 373 G CA 0.134 45.211 45.100 -0.038 0.000 0.811 373 G HN 0.104 nan 8.290 nan 0.000 0.537 374 V N 0.916 120.815 119.914 -0.025 0.000 2.287 374 V HA -0.292 3.828 4.120 0.000 0.000 0.248 374 V C 2.904 178.984 176.094 -0.024 0.000 1.053 374 V CA 2.332 64.620 62.300 -0.020 0.000 1.027 374 V CB -0.693 31.053 31.823 -0.127 0.000 0.646 374 V HN 0.405 nan 8.190 nan 0.000 0.447 375 Q N -0.271 119.499 119.800 -0.051 0.000 2.016 375 Q HA -0.242 4.098 4.340 0.000 0.000 0.200 375 Q C 2.384 178.375 176.000 -0.015 0.000 0.978 375 Q CA 1.841 57.621 55.803 -0.039 0.000 0.833 375 Q CB -0.247 28.456 28.738 -0.058 0.000 0.895 375 Q HN 0.598 nan 8.270 nan 0.000 0.427 376 K N 0.685 121.072 120.400 -0.021 0.000 2.009 376 K HA -0.218 4.102 4.320 0.000 0.000 0.210 376 K C 1.998 178.609 176.600 0.019 0.000 1.049 376 K CA 1.249 57.533 56.287 -0.005 0.000 0.929 376 K CB -0.217 32.277 32.500 -0.011 0.000 0.714 376 K HN 0.054 nan 8.250 nan 0.000 0.440 377 I N 1.509 122.094 120.570 0.025 0.000 2.151 377 I HA -0.282 3.888 4.170 0.000 0.000 0.243 377 I C 1.869 178.037 176.117 0.084 0.000 1.080 377 I CA 1.479 62.807 61.300 0.047 0.000 1.339 377 I CB -0.202 37.820 38.000 0.038 0.000 1.039 377 I HN 0.265 nan 8.210 nan 0.000 0.409 378 L N -0.666 120.604 121.223 0.077 0.000 2.191 378 L HA -0.264 4.076 4.340 0.000 0.000 0.212 378 L C 2.464 179.383 176.870 0.082 0.000 1.103 378 L CA 1.314 56.219 54.840 0.109 0.000 0.769 378 L CB -0.564 41.533 42.059 0.065 0.000 0.908 378 L HN 0.401 nan 8.230 nan 0.000 0.438 379 Q N -0.474 119.353 119.800 0.045 0.000 2.062 379 Q HA -0.165 4.175 4.340 0.000 0.000 0.196 379 Q C 1.858 177.875 176.000 0.029 0.000 0.967 379 Q CA 1.321 57.136 55.803 0.020 0.000 0.832 379 Q CB 0.069 28.811 28.738 0.006 0.000 0.899 379 Q HN 0.466 nan 8.270 nan 0.000 0.442 380 D N 0.040 120.472 120.400 0.053 0.000 2.104 380 D HA -0.201 4.439 4.640 0.000 0.000 0.194 380 D C 1.754 178.117 176.300 0.105 0.000 0.994 380 D CA 1.124 55.162 54.000 0.063 0.000 0.830 380 D CB -0.392 40.446 40.800 0.063 0.000 0.959 380 D HN 0.225 nan 8.370 nan 0.000 0.452 381 Y N 2.225 122.525 120.300 0.000 0.000 2.151 381 Y HA -0.239 4.311 4.550 0.000 0.000 0.284 381 Y C 2.155 178.056 175.900 0.001 0.000 1.166 381 Y CA 1.482 59.583 58.100 0.002 0.000 1.163 381 Y CB -0.332 38.131 38.460 0.004 0.000 0.974 381 Y HN -0.166 nan 8.280 nan 0.000 0.511 382 K N -0.274 120.033 120.400 -0.156 0.000 2.113 382 K HA -0.189 4.131 4.320 0.000 0.000 0.208 382 K C 2.217 178.727 176.600 -0.151 0.000 1.047 382 K CA 1.596 57.739 56.287 -0.240 0.000 0.928 382 K CB -0.159 32.262 32.500 -0.132 0.000 0.716 382 K HN 0.375 nan 8.250 nan 0.000 0.446 383 S N 1.389 117.051 115.700 -0.065 0.000 2.344 383 S HA -0.142 4.328 4.470 0.000 0.000 0.217 383 S C 1.886 176.468 174.600 -0.030 0.000 1.033 383 S CA 1.349 59.529 58.200 -0.034 0.000 1.017 383 S CB -0.398 62.800 63.200 -0.002 0.000 0.941 383 S HN 0.256 nan 8.310 nan 0.000 0.430 384 L N 1.607 122.834 121.223 0.006 0.000 2.129 384 L HA -0.223 4.117 4.340 0.000 0.000 0.212 384 L C 2.773 179.646 176.870 0.004 0.000 1.087 384 L CA 1.237 56.098 54.840 0.035 0.000 0.757 384 L CB -0.746 41.380 42.059 0.112 0.000 0.896 384 L HN 0.414 nan 8.230 nan 0.000 0.434 385 Q N 0.146 119.893 119.800 -0.087 0.000 2.173 385 Q HA -0.278 4.062 4.340 0.000 0.000 0.208 385 Q C 1.717 177.680 176.000 -0.063 0.000 0.989 385 Q CA 2.072 57.792 55.803 -0.137 0.000 0.872 385 Q CB -0.011 28.548 28.738 -0.299 0.000 0.909 385 Q HN 0.544 nan 8.270 nan 0.000 0.420 386 D N -0.303 120.066 120.400 -0.052 0.000 2.103 386 D HA -0.105 4.535 4.640 0.000 0.000 0.199 386 D C 1.801 178.094 176.300 -0.011 0.000 0.978 386 D CA 0.748 54.730 54.000 -0.030 0.000 0.829 386 D CB -0.120 40.663 40.800 -0.028 0.000 0.981 386 D HN 0.176 nan 8.370 nan 0.000 0.464 387 I N 1.135 121.704 120.570 -0.002 0.000 2.113 387 I HA -0.250 3.920 4.170 0.000 0.000 0.238 387 I C 2.141 178.267 176.117 0.015 0.000 1.070 387 I CA 0.603 61.908 61.300 0.009 0.000 1.332 387 I CB -0.321 37.688 38.000 0.015 0.000 1.044 387 I HN -0.030 nan 8.210 nan 0.000 0.402 388 I N 0.940 121.525 120.570 0.026 0.000 2.130 388 I HA -0.420 3.750 4.170 0.000 0.000 0.241 388 I C 2.658 178.790 176.117 0.025 0.000 1.023 388 I CA 2.195 63.517 61.300 0.037 0.000 1.293 388 I CB -2.012 36.026 38.000 0.064 0.000 1.001 388 I HN 0.293 nan 8.210 nan 0.000 0.407 389 A N 0.166 122.996 122.820 0.017 0.000 1.933 389 A HA -0.144 4.176 4.320 0.000 0.000 0.218 389 A C 2.191 179.780 177.584 0.008 0.000 1.175 389 A CA 1.476 53.519 52.037 0.011 0.000 0.628 389 A CB -0.392 18.609 19.000 0.003 0.000 0.814 389 A HN 0.358 nan 8.150 nan 0.000 0.444 390 I N -0.360 120.214 120.570 0.006 0.000 2.490 390 I HA -0.024 4.146 4.170 0.000 0.000 0.234 390 I C 2.049 178.170 176.117 0.007 0.000 1.066 390 I CA 0.855 62.157 61.300 0.005 0.000 1.405 390 I CB -1.640 36.361 38.000 0.002 0.000 1.191 390 I HN 0.243 nan 8.210 nan 0.000 0.433 391 L N 0.996 122.224 121.223 0.008 0.000 2.627 391 L HA 0.328 4.668 4.340 0.000 0.000 0.233 391 L C 0.803 177.680 176.870 0.012 0.000 1.144 391 L CA 0.130 54.976 54.840 0.009 0.000 0.892 391 L CB -1.411 40.654 42.059 0.009 0.000 1.039 391 L HN 0.462 nan 8.230 nan 0.000 0.442 392 G N 0.519 109.327 108.800 0.014 0.000 2.778 392 G HA2 -0.286 3.674 3.960 0.000 0.000 0.686 392 G HA3 -0.286 3.674 3.960 0.000 0.000 0.686 392 G C 0.080 174.992 174.900 0.021 0.000 1.309 392 G CA -0.476 44.634 45.100 0.016 0.000 0.904 392 G HN 0.154 nan 8.290 nan 0.000 0.593 393 M N 0.932 120.547 119.600 0.025 0.000 2.886 393 M HA -0.037 4.443 4.480 0.000 0.000 0.199 393 M C 0.825 177.139 176.300 0.024 0.000 1.044 393 M CA 1.139 56.456 55.300 0.030 0.000 1.095 393 M CB -0.328 32.291 32.600 0.031 0.000 1.746 393 M HN 0.581 nan 8.290 nan 0.000 0.491 394 D N -1.099 119.312 120.400 0.020 0.000 2.510 394 D HA 0.008 4.648 4.640 0.000 0.000 0.234 394 D C 1.195 177.504 176.300 0.015 0.000 1.178 394 D CA 0.079 54.089 54.000 0.016 0.000 0.816 394 D CB 0.414 41.222 40.800 0.013 0.000 1.143 394 D HN 0.310 nan 8.370 nan 0.000 0.526 395 E N 0.913 121.122 120.200 0.015 0.000 2.516 395 E HA -0.001 4.349 4.350 0.000 0.000 0.199 395 E C 0.469 177.078 176.600 0.015 0.000 1.069 395 E CA 0.008 56.416 56.400 0.013 0.000 0.876 395 E CB 0.134 29.841 29.700 0.012 0.000 0.843 395 E HN 0.373 nan 8.360 nan 0.000 0.530 396 L N 2.451 123.685 121.223 0.018 0.000 2.601 396 L HA -0.060 4.280 4.340 0.000 0.000 0.277 396 L C 1.018 177.897 176.870 0.015 0.000 1.219 396 L CA 0.040 54.892 54.840 0.019 0.000 0.915 396 L CB -0.025 42.047 42.059 0.023 0.000 1.160 396 L HN 0.019 nan 8.230 nan 0.000 0.494 397 S N 1.610 117.319 115.700 0.015 0.000 2.632 397 S HA 0.125 4.595 4.470 0.000 0.000 0.267 397 S C 0.874 175.480 174.600 0.010 0.000 1.276 397 S CA -0.804 57.403 58.200 0.012 0.000 0.998 397 S CB 1.273 64.480 63.200 0.011 0.000 0.953 397 S HN 0.670 nan 8.310 nan 0.000 0.547 398 E N 0.565 120.770 120.200 0.008 0.000 2.219 398 E HA -0.205 4.145 4.350 0.000 0.000 0.198 398 E C 1.736 178.340 176.600 0.006 0.000 0.998 398 E CA 1.544 57.948 56.400 0.007 0.000 0.818 398 E CB -0.064 29.640 29.700 0.006 0.000 0.741 398 E HN 0.728 nan 8.360 nan 0.000 0.477 399 E N 0.384 120.589 120.200 0.007 0.000 2.042 399 E HA -0.107 4.243 4.350 0.000 0.000 0.189 399 E C 1.621 178.227 176.600 0.009 0.000 0.974 399 E CA 0.495 56.900 56.400 0.008 0.000 0.806 399 E CB 0.107 29.813 29.700 0.009 0.000 0.769 399 E HN 0.119 nan 8.360 nan 0.000 0.451 400 D N 0.807 121.216 120.400 0.014 0.000 2.309 400 D HA -0.098 4.542 4.640 0.000 0.000 0.212 400 D C 1.411 177.720 176.300 0.017 0.000 0.968 400 D CA 0.923 54.936 54.000 0.021 0.000 0.882 400 D CB 0.102 40.917 40.800 0.026 0.000 0.918 400 D HN 0.101 nan 8.370 nan 0.000 0.503 401 K N -0.428 119.976 120.400 0.008 0.000 2.314 401 K HA 0.028 4.348 4.320 0.000 0.000 0.198 401 K C 1.671 178.262 176.600 -0.016 0.000 1.045 401 K CA 0.062 56.349 56.287 -0.001 0.000 0.988 401 K CB 0.494 32.996 32.500 0.002 0.000 0.783 401 K HN 0.036 nan 8.250 nan 0.000 0.484 402 L N 0.978 122.193 121.223 -0.013 0.000 2.168 402 L HA -0.091 4.250 4.340 0.000 0.000 0.203 402 L C 2.577 179.426 176.870 -0.036 0.000 1.078 402 L CA 1.611 56.438 54.840 -0.021 0.000 0.780 402 L CB -0.694 41.359 42.059 -0.011 0.000 0.939 402 L HN 0.250 nan 8.230 nan 0.000 0.451 403 T N -3.502 111.040 114.554 -0.021 0.000 2.720 403 T HA -0.186 4.164 4.350 0.000 0.000 0.268 403 T C 1.807 176.466 174.700 -0.068 0.000 1.037 403 T CA 1.718 63.807 62.100 -0.018 0.000 1.144 403 T CB -0.956 67.923 68.868 0.019 0.000 0.864 403 T HN 0.068 nan 8.240 nan 0.000 0.444 404 V N 2.798 122.657 119.914 -0.093 0.000 2.229 404 V HA -0.178 3.942 4.120 0.000 0.000 0.243 404 V C 3.195 179.106 176.094 -0.306 0.000 1.042 404 V CA 2.098 64.247 62.300 -0.252 0.000 1.000 404 V CB -1.453 30.280 31.823 -0.149 0.000 0.637 404 V HN 0.788 nan 8.190 nan 0.000 0.446 405 S N 1.500 117.098 115.700 -0.169 0.000 2.393 405 S HA -0.394 4.076 4.470 0.000 0.000 0.235 405 S C 2.035 176.543 174.600 -0.153 0.000 1.061 405 S CA 2.426 60.548 58.200 -0.130 0.000 1.129 405 S CB -0.760 62.400 63.200 -0.066 0.000 1.011 405 S HN 0.592 nan 8.310 nan 0.000 0.436 406 R N 1.969 122.388 120.500 -0.134 0.000 2.082 406 R HA 0.033 4.373 4.340 0.000 0.000 0.234 406 R C 2.954 179.159 176.300 -0.158 0.000 1.136 406 R CA 1.379 57.397 56.100 -0.137 0.000 0.935 406 R CB -1.171 29.080 30.300 -0.082 0.000 0.842 406 R HN 0.597 nan 8.270 nan 0.000 0.430 407 A N 1.827 124.550 122.820 -0.161 0.000 1.927 407 A HA -0.233 4.087 4.320 0.000 0.000 0.220 407 A C 2.115 179.585 177.584 -0.190 0.000 1.185 407 A CA 1.699 53.646 52.037 -0.149 0.000 0.639 407 A CB -0.514 18.363 19.000 -0.204 0.000 0.820 407 A HN 0.297 nan 8.150 nan 0.000 0.451 408 R N -0.533 119.774 120.500 -0.321 0.000 2.148 408 R HA -0.030 4.310 4.340 0.000 0.000 0.223 408 R C 2.002 178.232 176.300 -0.116 0.000 1.088 408 R CA 1.289 57.255 56.100 -0.225 0.000 0.985 408 R CB -0.265 29.892 30.300 -0.240 0.000 0.880 408 R HN 0.529 nan 8.270 nan 0.000 0.451 409 K N 0.816 121.096 120.400 -0.200 0.000 2.076 409 K HA 0.022 4.342 4.320 0.000 0.000 0.204 409 K C 2.140 178.524 176.600 -0.359 0.000 1.051 409 K CA 0.868 56.916 56.287 -0.398 0.000 0.949 409 K CB -0.047 32.017 32.500 -0.727 0.000 0.726 409 K HN 0.067 nan 8.250 nan 0.000 0.443 410 I N 1.431 121.893 120.570 -0.181 0.000 2.099 410 I HA -0.373 3.797 4.170 0.000 0.000 0.239 410 I C 2.686 178.931 176.117 0.213 0.000 1.066 410 I CA 1.488 62.836 61.300 0.079 0.000 1.324 410 I CB -0.321 37.758 38.000 0.132 0.000 1.037 410 I HN 0.271 nan 8.210 nan 0.000 0.401 411 Q N 0.414 120.295 119.800 0.135 0.000 2.156 411 Q HA -0.268 4.072 4.340 0.000 0.000 0.211 411 Q C 2.386 178.500 176.000 0.190 0.000 0.995 411 Q CA 1.944 57.842 55.803 0.157 0.000 0.877 411 Q CB -0.001 28.823 28.738 0.144 0.000 0.920 411 Q HN 0.432 nan 8.270 nan 0.000 0.416 412 R N -0.871 119.746 120.500 0.195 0.000 2.062 412 R HA -0.105 4.235 4.340 0.000 0.000 0.229 412 R C 2.162 178.657 176.300 0.325 0.000 1.128 412 R CA 1.020 57.288 56.100 0.280 0.000 0.960 412 R CB -0.691 29.800 30.300 0.318 0.000 0.855 412 R HN 0.263 nan 8.270 nan 0.000 0.432 413 F N 2.147 122.145 119.950 0.080 0.000 2.250 413 F HA -0.072 4.455 4.527 0.000 0.000 0.301 413 F C 1.805 177.749 175.800 0.241 0.000 1.077 413 F CA 0.896 58.909 58.000 0.022 0.000 1.348 413 F CB -0.287 38.473 39.000 -0.399 0.000 1.040 413 F HN -0.092 nan 8.300 nan 0.000 0.509 414 L N -0.218 121.213 121.223 0.347 0.000 2.551 414 L HA -0.037 4.303 4.340 0.000 0.000 0.228 414 L C 1.311 178.240 176.870 0.099 0.000 1.153 414 L CA 0.363 55.344 54.840 0.235 0.000 0.851 414 L CB -0.687 41.460 42.059 0.146 0.000 0.959 414 L HN 0.146 nan 8.230 nan 0.000 0.451 415 S N -0.798 114.966 115.700 0.106 0.000 2.693 415 S HA 0.532 5.002 4.470 0.000 0.000 0.276 415 S C -0.410 174.183 174.600 -0.011 0.000 1.192 415 S CA -0.567 57.657 58.200 0.040 0.000 0.994 415 S CB 2.217 65.443 63.200 0.043 0.000 1.012 415 S HN 0.233 nan 8.310 nan 0.000 0.550 416 Q N -0.027 119.729 119.800 -0.072 0.000 2.574 416 Q HA 0.331 4.671 4.340 0.000 0.000 0.265 416 Q C -3.246 172.699 176.000 -0.092 0.000 0.975 416 Q CA -1.592 54.185 55.803 -0.043 0.000 0.923 416 Q CB 2.086 30.864 28.738 0.067 0.000 1.518 416 Q HN 0.548 nan 8.270 nan 0.000 0.401 417 P HA 0.240 nan 4.420 nan 0.000 0.276 417 P C -1.054 176.384 177.300 0.230 0.000 1.243 417 P CA -0.039 63.067 63.100 0.010 0.000 0.768 417 P CB 0.181 31.895 31.700 0.023 0.000 0.856 418 F N 1.962 121.902 119.950 -0.017 0.000 2.399 418 F HA 0.268 4.795 4.527 0.000 0.000 0.334 418 F C 1.933 177.731 175.800 -0.003 0.000 1.097 418 F CA -0.873 57.125 58.000 -0.003 0.000 1.076 418 F CB 1.163 40.168 39.000 0.007 0.000 1.162 418 F HN 0.330 nan 8.300 nan 0.000 0.495 419 Q N 1.254 121.142 119.800 0.147 0.000 2.291 419 Q HA -0.064 4.276 4.340 0.000 0.000 0.205 419 Q C 1.900 177.944 176.000 0.072 0.000 0.970 419 Q CA 0.793 56.638 55.803 0.071 0.000 0.876 419 Q CB -0.097 28.652 28.738 0.017 0.000 0.935 419 Q HN 0.529 nan 8.270 nan 0.000 0.455 420 V N 0.572 120.545 119.914 0.099 0.000 2.515 420 V HA -0.131 3.989 4.120 0.000 0.000 0.250 420 V C 1.247 177.400 176.094 0.098 0.000 1.058 420 V CA 1.404 63.755 62.300 0.086 0.000 1.064 420 V CB -0.417 31.457 31.823 0.085 0.000 0.675 420 V HN 0.307 nan 8.190 nan 0.000 0.461 421 A N -0.512 122.387 122.820 0.133 0.000 3.215 421 A HA 0.372 4.692 4.320 0.000 0.000 0.269 421 A C 1.137 178.760 177.584 0.065 0.000 1.517 421 A CA -0.149 51.938 52.037 0.084 0.000 1.221 421 A CB -0.246 18.783 19.000 0.049 0.000 1.160 421 A HN 0.520 nan 8.150 nan 0.000 0.620 422 E N -0.475 119.757 120.200 0.054 0.000 2.364 422 E HA 0.010 4.360 4.350 0.000 0.000 0.203 422 E C 1.163 177.767 176.600 0.007 0.000 0.888 422 E CA 0.251 56.663 56.400 0.020 0.000 0.989 422 E CB 0.440 30.145 29.700 0.007 0.000 0.985 422 E HN 0.402 nan 8.360 nan 0.000 0.499 423 V N 0.953 120.899 119.914 0.054 0.000 3.171 423 V HA -0.211 3.909 4.120 0.000 0.000 0.273 423 V C 0.301 176.553 176.094 0.263 0.000 1.187 423 V CA 1.572 63.939 62.300 0.111 0.000 1.191 423 V CB -0.733 31.153 31.823 0.104 0.000 0.808 423 V HN 0.311 nan 8.190 nan 0.000 0.549 424 F N -2.310 117.646 119.950 0.010 0.000 2.961 424 F HA 0.035 4.562 4.527 0.000 0.000 0.463 424 F C 0.831 176.648 175.800 0.028 0.000 0.879 424 F CA 0.211 58.218 58.000 0.012 0.000 1.125 424 F CB -0.675 38.328 39.000 0.005 0.000 2.742 424 F HN -0.170 nan 8.300 nan 0.000 0.438 425 T N -1.394 113.213 114.554 0.088 0.000 3.001 425 T HA 0.330 4.680 4.350 0.000 0.000 0.251 425 T C 1.692 176.514 174.700 0.203 0.000 1.040 425 T CA 1.154 63.334 62.100 0.134 0.000 0.985 425 T CB 0.397 69.312 68.868 0.077 0.000 1.011 425 T HN 0.720 nan 8.240 nan 0.000 0.509 426 G N 1.541 110.283 108.800 -0.096 0.000 2.674 426 G HA2 -0.298 3.662 3.960 0.000 0.000 0.236 426 G HA3 -0.298 3.662 3.960 0.000 0.000 0.236 426 G C -0.064 174.653 174.900 -0.305 0.000 1.178 426 G CA 0.507 45.419 45.100 -0.313 0.000 0.721 426 G HN 0.629 nan 8.290 nan 0.000 0.515 427 H N 0.552 119.565 119.070 -0.096 0.000 2.767 427 H HA 0.555 5.111 4.556 0.000 0.000 0.316 427 H C 0.590 175.884 175.328 -0.056 0.000 1.059 427 H CA -0.449 55.557 56.048 -0.069 0.000 1.461 427 H CB 1.086 30.813 29.762 -0.059 0.000 1.475 427 H HN 0.394 nan 8.280 nan 0.000 0.531 428 L N 2.603 123.842 121.223 0.027 0.000 2.456 428 L HA 0.243 4.583 4.340 0.000 0.000 0.272 428 L C 1.018 177.914 176.870 0.043 0.000 1.189 428 L CA 0.348 55.195 54.840 0.012 0.000 0.846 428 L CB 0.475 42.527 42.059 -0.013 0.000 1.111 428 L HN 0.848 nan 8.230 nan 0.000 0.475 429 G N 3.629 112.455 108.800 0.043 0.000 2.467 429 G HA2 0.353 4.313 3.960 0.000 0.000 0.257 429 G HA3 0.353 4.313 3.960 0.000 0.000 0.257 429 G C -0.717 174.213 174.900 0.051 0.000 1.227 429 G CA -0.567 44.573 45.100 0.068 0.000 0.835 429 G HN 0.485 nan 8.290 nan 0.000 0.556 430 K N 0.991 121.433 120.400 0.071 0.000 2.345 430 K HA 0.292 4.612 4.320 0.000 0.000 0.255 430 K C -1.011 175.610 176.600 0.035 0.000 0.934 430 K CA -0.982 55.335 56.287 0.049 0.000 0.801 430 K CB 2.276 34.812 32.500 0.059 0.000 1.137 430 K HN 0.337 nan 8.250 nan 0.000 0.424 431 L N 3.670 124.894 121.223 0.002 0.000 2.719 431 L HA 0.247 4.587 4.340 0.000 0.000 0.236 431 L C -0.831 176.028 176.870 -0.018 0.000 1.221 431 L CA -0.679 54.146 54.840 -0.025 0.000 1.048 431 L CB 0.416 42.442 42.059 -0.055 0.000 1.364 431 L HN 0.252 nan 8.230 nan 0.000 0.447 432 V N 3.987 123.902 119.914 0.001 0.000 2.752 432 V HA 0.089 4.209 4.120 0.000 0.000 0.306 432 V C -1.662 174.426 176.094 -0.009 0.000 1.099 432 V CA -0.398 61.906 62.300 0.006 0.000 1.240 432 V CB -0.216 31.613 31.823 0.010 0.000 0.887 432 V HN 0.610 nan 8.190 nan 0.000 0.499 433 P HA 0.243 nan 4.420 nan 0.000 0.284 433 P C 0.560 177.857 177.300 -0.005 0.000 1.258 433 P CA -0.695 62.399 63.100 -0.010 0.000 0.824 433 P CB 1.073 32.769 31.700 -0.006 0.000 1.038 434 L N 2.751 123.966 121.223 -0.013 0.000 2.043 434 L HA -0.215 4.125 4.340 0.000 0.000 0.212 434 L C 2.090 178.936 176.870 -0.039 0.000 1.075 434 L CA 2.094 56.914 54.840 -0.033 0.000 0.752 434 L CB -0.900 41.147 42.059 -0.020 0.000 0.891 434 L HN 0.332 nan 8.230 nan 0.000 0.432 435 K N -0.953 119.441 120.400 -0.010 0.000 2.057 435 K HA -0.159 4.161 4.320 0.000 0.000 0.207 435 K C 1.960 178.578 176.600 0.030 0.000 1.049 435 K CA 1.448 57.738 56.287 0.006 0.000 0.931 435 K CB -0.066 32.443 32.500 0.015 0.000 0.714 435 K HN 0.325 nan 8.250 nan 0.000 0.440 436 E N -0.024 120.201 120.200 0.040 0.000 2.208 436 E HA -0.087 4.263 4.350 0.000 0.000 0.193 436 E C 1.973 178.646 176.600 0.120 0.000 0.988 436 E CA 0.978 57.423 56.400 0.077 0.000 0.828 436 E CB -0.215 29.526 29.700 0.069 0.000 0.763 436 E HN 0.252 nan 8.360 nan 0.000 0.478 437 T N 2.157 116.762 114.554 0.084 0.000 2.668 437 T HA -0.094 4.256 4.350 0.000 0.000 0.262 437 T C 1.935 176.758 174.700 0.205 0.000 1.045 437 T CA 1.183 63.356 62.100 0.121 0.000 1.152 437 T CB -0.067 68.809 68.868 0.013 0.000 0.864 437 T HN 0.087 nan 8.240 nan 0.000 0.419 438 I N 1.240 121.849 120.570 0.064 0.000 2.252 438 I HA -0.065 4.105 4.170 0.000 0.000 0.245 438 I C 2.136 178.342 176.117 0.149 0.000 1.102 438 I CA 1.369 62.709 61.300 0.067 0.000 1.385 438 I CB -1.290 36.681 38.000 -0.050 0.000 1.064 438 I HN 0.253 nan 8.210 nan 0.000 0.414 439 K N 1.515 121.992 120.400 0.128 0.000 2.009 439 K HA -0.097 4.223 4.320 0.000 0.000 0.210 439 K C 2.290 179.000 176.600 0.184 0.000 1.049 439 K CA 1.561 57.927 56.287 0.133 0.000 0.929 439 K CB -0.777 31.786 32.500 0.105 0.000 0.714 439 K HN 0.433 nan 8.250 nan 0.000 0.440 440 G N 1.312 110.258 108.800 0.243 0.000 2.777 440 G HA2 -0.290 3.670 3.960 0.000 0.000 0.217 440 G HA3 -0.290 3.670 3.960 0.000 0.000 0.217 440 G C 1.259 176.292 174.900 0.221 0.000 1.295 440 G CA 1.408 46.698 45.100 0.317 0.000 0.800 440 G HN 0.202 nan 8.290 nan 0.000 0.637 441 F N 1.157 121.315 119.950 0.347 0.000 2.250 441 F HA -0.085 4.442 4.527 0.000 0.000 0.301 441 F C 2.884 178.754 175.800 0.116 0.000 1.077 441 F CA 1.624 59.751 58.000 0.213 0.000 1.348 441 F CB -0.485 38.585 39.000 0.117 0.000 1.040 441 F HN 0.269 nan 8.300 nan 0.000 0.509 442 Q N 0.516 120.468 119.800 0.254 0.000 2.045 442 Q HA -0.299 4.041 4.340 0.000 0.000 0.206 442 Q C 2.173 178.236 176.000 0.106 0.000 0.991 442 Q CA 2.313 58.207 55.803 0.153 0.000 0.851 442 Q CB -0.195 28.616 28.738 0.121 0.000 0.911 442 Q HN 0.488 nan 8.270 nan 0.000 0.418 443 Q N -0.289 119.575 119.800 0.106 0.000 2.084 443 Q HA -0.159 4.181 4.340 0.000 0.000 0.202 443 Q C 2.128 178.153 176.000 0.042 0.000 0.978 443 Q CA 1.456 57.299 55.803 0.066 0.000 0.844 443 Q CB -0.076 28.744 28.738 0.137 0.000 0.898 443 Q HN 0.469 nan 8.270 nan 0.000 0.426 444 I N 0.814 121.418 120.570 0.056 0.000 2.208 444 I HA -0.261 3.909 4.170 0.000 0.000 0.245 444 I C 2.258 178.371 176.117 -0.007 0.000 1.097 444 I CA 1.436 62.727 61.300 -0.016 0.000 1.363 444 I CB -1.242 36.667 38.000 -0.152 0.000 1.051 444 I HN 0.273 nan 8.210 nan 0.000 0.413 445 L N 0.875 122.122 121.223 0.040 0.000 2.017 445 L HA -0.182 4.158 4.340 0.000 0.000 0.208 445 L C 2.954 179.832 176.870 0.013 0.000 1.073 445 L CA 1.455 56.317 54.840 0.036 0.000 0.745 445 L CB -0.912 41.186 42.059 0.064 0.000 0.894 445 L HN 0.192 nan 8.230 nan 0.000 0.432 446 A N -0.121 122.707 122.820 0.013 0.000 1.873 446 A HA -0.117 4.203 4.320 0.000 0.000 0.218 446 A C 1.864 179.432 177.584 -0.026 0.000 1.193 446 A CA 2.237 54.270 52.037 -0.006 0.000 0.629 446 A CB -0.936 18.055 19.000 -0.015 0.000 0.826 446 A HN 0.655 nan 8.150 nan 0.000 0.447 447 G N -1.973 106.800 108.800 -0.045 0.000 2.148 447 G HA2 -0.144 3.816 3.960 0.000 0.000 0.157 447 G HA3 -0.144 3.816 3.960 0.000 0.000 0.157 447 G C 0.364 175.197 174.900 -0.113 0.000 1.012 447 G CA 0.648 45.715 45.100 -0.056 0.000 0.677 447 G HN 0.508 nan 8.290 nan 0.000 0.506 448 E N -0.815 119.246 120.200 -0.233 0.000 2.153 448 E HA -0.062 4.288 4.350 0.000 0.000 0.194 448 E C 0.960 177.177 176.600 -0.638 0.000 0.988 448 E CA 1.245 57.360 56.400 -0.475 0.000 0.811 448 E CB -0.067 29.197 29.700 -0.726 0.000 0.746 448 E HN 0.728 nan 8.360 nan 0.000 0.466 449 Y N 0.155 120.387 120.300 -0.113 0.000 2.658 449 Y HA 0.141 4.691 4.550 0.000 0.000 0.276 449 Y C 1.109 176.851 175.900 -0.264 0.000 1.167 449 Y CA -0.497 57.430 58.100 -0.288 0.000 1.230 449 Y CB 0.287 38.699 38.460 -0.079 0.000 1.144 449 Y HN -0.099 nan 8.280 nan 0.000 0.529 450 D N 0.499 120.850 120.400 -0.081 0.000 2.182 450 D HA -0.209 4.431 4.640 0.000 0.000 0.201 450 D C 2.132 178.437 176.300 0.008 0.000 0.986 450 D CA 1.635 55.626 54.000 -0.015 0.000 0.847 450 D CB -0.042 40.764 40.800 0.009 0.000 0.942 450 D HN 0.623 nan 8.370 nan 0.000 0.467 451 H N -0.108 119.004 119.070 0.070 0.000 2.357 451 H HA -0.022 4.534 4.556 0.000 0.000 0.301 451 H C 1.388 176.765 175.328 0.081 0.000 1.082 451 H CA 0.175 56.257 56.048 0.057 0.000 1.342 451 H CB -0.804 28.978 29.762 0.033 0.000 1.389 451 H HN 0.120 nan 8.280 nan 0.000 0.511 452 L N 2.939 123.982 121.223 -0.301 0.000 2.536 452 L HA 0.014 4.354 4.340 0.000 0.000 0.294 452 L C -2.002 174.894 176.870 0.043 0.000 1.257 452 L CA -0.834 53.938 54.840 -0.113 0.000 0.850 452 L CB 0.338 42.302 42.059 -0.158 0.000 1.105 452 L HN 0.276 nan 8.230 nan 0.000 0.517 453 P HA 0.279 nan 4.420 nan 0.000 0.289 453 P C -0.155 177.202 177.300 0.096 0.000 1.293 453 P CA -0.757 62.372 63.100 0.048 0.000 0.897 453 P CB 1.249 32.947 31.700 -0.004 0.000 1.166 454 E N 0.256 120.550 120.200 0.156 0.000 2.037 454 E HA -0.273 4.077 4.350 0.000 0.000 0.214 454 E C 1.567 178.277 176.600 0.182 0.000 1.041 454 E CA 1.469 58.001 56.400 0.221 0.000 0.872 454 E CB -0.407 29.353 29.700 0.100 0.000 0.785 454 E HN 0.525 nan 8.360 nan 0.000 0.476 455 Q N -0.417 119.423 119.800 0.067 0.000 2.585 455 Q HA -0.147 4.193 4.340 0.000 0.000 0.219 455 Q C 1.694 177.684 176.000 -0.017 0.000 0.984 455 Q CA 0.735 56.569 55.803 0.052 0.000 0.915 455 Q CB -0.007 28.741 28.738 0.018 0.000 0.967 455 Q HN 0.277 nan 8.270 nan 0.000 0.530 456 A N -0.843 121.871 122.820 -0.176 0.000 2.021 456 A HA -0.047 4.273 4.320 0.000 0.000 0.216 456 A C 1.304 178.610 177.584 -0.463 0.000 1.163 456 A CA 0.530 52.325 52.037 -0.404 0.000 0.676 456 A CB -0.208 18.377 19.000 -0.691 0.000 0.818 456 A HN 0.304 nan 8.150 nan 0.000 0.453 457 F N -2.500 117.427 119.950 -0.038 0.000 2.698 457 F HA 0.208 4.735 4.527 0.000 0.000 0.295 457 F C 0.755 176.634 175.800 0.132 0.000 1.124 457 F CA -0.582 57.408 58.000 -0.017 0.000 1.426 457 F CB -0.408 38.563 39.000 -0.049 0.000 1.120 457 F HN 0.235 nan 8.300 nan 0.000 0.583 458 Y N 2.705 123.100 120.300 0.159 0.000 2.544 458 Y HA 0.163 4.713 4.550 0.000 0.000 0.330 458 Y C 0.696 176.642 175.900 0.077 0.000 1.136 458 Y CA -1.189 56.981 58.100 0.116 0.000 1.417 458 Y CB 0.050 38.550 38.460 0.067 0.000 1.229 458 Y HN 0.045 nan 8.280 nan 0.000 0.532 459 M N 6.258 125.623 119.600 -0.391 0.000 3.241 459 M HA -0.168 4.312 4.480 0.000 0.000 0.169 459 M C -1.080 175.154 176.300 -0.110 0.000 1.333 459 M CA 1.008 56.089 55.300 -0.365 0.000 0.838 459 M CB -2.650 29.551 32.600 -0.664 0.000 1.258 459 M HN 0.451 nan 8.290 nan 0.000 0.656 460 V N -2.076 117.848 119.914 0.017 0.000 3.165 460 V HA 1.085 5.205 4.120 0.000 0.000 0.309 460 V C 0.523 176.686 176.094 0.115 0.000 1.267 460 V CA -0.150 62.190 62.300 0.067 0.000 1.067 460 V CB 1.609 33.477 31.823 0.076 0.000 1.082 460 V HN 0.497 nan 8.190 nan 0.000 0.451 461 G N -0.203 108.666 108.800 0.115 0.000 2.992 461 G HA2 0.547 4.507 3.960 0.000 0.000 0.195 461 G HA3 0.547 4.507 3.960 0.000 0.000 0.195 461 G C -2.567 172.468 174.900 0.224 0.000 2.032 461 G CA -0.521 44.650 45.100 0.118 0.000 0.831 461 G HN 0.689 nan 8.290 nan 0.000 0.647 462 P HA 0.253 nan 4.420 nan 0.000 0.274 462 P C 0.798 178.180 177.300 0.136 0.000 1.231 462 P CA -0.633 62.584 63.100 0.196 0.000 0.790 462 P CB 1.433 33.189 31.700 0.094 0.000 0.951 463 I N 1.589 122.210 120.570 0.085 0.000 2.290 463 I HA -0.352 3.818 4.170 0.000 0.000 0.253 463 I C 1.619 177.558 176.117 -0.296 0.000 1.112 463 I CA 1.929 63.048 61.300 -0.302 0.000 1.377 463 I CB -0.234 37.582 38.000 -0.306 0.000 1.060 463 I HN 0.359 nan 8.210 nan 0.000 0.428 464 E N 0.563 120.686 120.200 -0.128 0.000 2.171 464 E HA -0.257 4.093 4.350 0.000 0.000 0.197 464 E C 2.009 178.526 176.600 -0.138 0.000 0.997 464 E CA 1.752 58.087 56.400 -0.109 0.000 0.810 464 E CB -0.246 29.431 29.700 -0.038 0.000 0.738 464 E HN 0.645 nan 8.360 nan 0.000 0.467 465 E N -0.035 120.095 120.200 -0.117 0.000 2.285 465 E HA -0.008 4.342 4.350 0.000 0.000 0.194 465 E C 1.957 178.435 176.600 -0.204 0.000 0.997 465 E CA 0.621 56.955 56.400 -0.111 0.000 0.845 465 E CB -0.019 29.657 29.700 -0.040 0.000 0.782 465 E HN 0.266 nan 8.360 nan 0.000 0.491 466 A N 1.380 124.000 122.820 -0.334 0.000 1.969 466 A HA -0.113 4.207 4.320 0.000 0.000 0.218 466 A C 2.492 179.724 177.584 -0.588 0.000 1.169 466 A CA 1.010 52.697 52.037 -0.584 0.000 0.635 466 A CB -0.471 18.041 19.000 -0.813 0.000 0.810 466 A HN 0.121 nan 8.150 nan 0.000 0.445 467 V N -0.400 119.247 119.914 -0.446 0.000 2.283 467 V HA -0.147 3.973 4.120 0.000 0.000 0.243 467 V C 2.954 178.939 176.094 -0.181 0.000 1.039 467 V CA 1.758 63.884 62.300 -0.290 0.000 1.016 467 V CB -1.569 30.143 31.823 -0.185 0.000 0.650 467 V HN 0.524 nan 8.190 nan 0.000 0.449 468 A N -0.373 122.359 122.820 -0.148 0.000 1.933 468 A HA -0.215 4.105 4.320 0.000 0.000 0.218 468 A C 2.370 179.894 177.584 -0.101 0.000 1.175 468 A CA 2.003 53.982 52.037 -0.098 0.000 0.628 468 A CB -0.522 18.434 19.000 -0.073 0.000 0.814 468 A HN 0.486 nan 8.150 nan 0.000 0.444 469 K N -0.435 119.884 120.400 -0.136 0.000 2.097 469 K HA -0.083 4.237 4.320 0.000 0.000 0.206 469 K C 2.165 178.691 176.600 -0.123 0.000 1.049 469 K CA 1.033 57.249 56.287 -0.118 0.000 0.933 469 K CB -0.251 32.164 32.500 -0.142 0.000 0.717 469 K HN 0.428 nan 8.250 nan 0.000 0.442 470 A N 1.328 124.045 122.820 -0.171 0.000 1.930 470 A HA -0.177 4.143 4.320 0.000 0.000 0.217 470 A C 1.573 179.112 177.584 -0.076 0.000 1.175 470 A CA 1.843 53.796 52.037 -0.140 0.000 0.627 470 A CB -0.400 18.496 19.000 -0.174 0.000 0.815 470 A HN 0.270 nan 8.150 nan 0.000 0.443 471 D N 0.003 120.363 120.400 -0.067 0.000 2.084 471 D HA -0.118 4.522 4.640 0.000 0.000 0.194 471 D C 1.811 178.091 176.300 -0.034 0.000 0.990 471 D CA 1.468 55.444 54.000 -0.040 0.000 0.826 471 D CB -0.225 40.553 40.800 -0.037 0.000 0.971 471 D HN 0.473 nan 8.370 nan 0.000 0.453 472 K N -0.205 120.171 120.400 -0.039 0.000 2.442 472 K HA 0.054 4.374 4.320 0.000 0.000 0.198 472 K C 0.837 177.422 176.600 -0.024 0.000 1.042 472 K CA 0.480 56.750 56.287 -0.029 0.000 0.958 472 K CB 0.266 32.749 32.500 -0.027 0.000 0.766 472 K HN 0.182 nan 8.250 nan 0.000 0.474 473 L N 0.447 121.651 121.223 -0.032 0.000 3.141 473 L HA 0.369 4.709 4.340 0.000 0.000 0.267 473 L C -0.026 176.831 176.870 -0.021 0.000 1.281 473 L CA -0.549 54.276 54.840 -0.026 0.000 1.037 473 L CB -0.645 41.394 42.059 -0.033 0.000 1.407 473 L HN 0.127 nan 8.230 nan 0.000 0.566 474 A N 0.000 122.809 122.820 -0.018 0.000 2.254 474 A HA 0.000 4.320 4.320 0.000 0.000 0.244 474 A CA 0.000 52.030 52.037 -0.011 0.000 0.836 474 A CB 0.000 18.996 19.000 -0.007 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486