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 3iss_1_D DATA FIRST_RESID 1 DATA SEQUENCE MDKFRVQGPT KLQGEVTISG AKNAALPILF AALLAEEPVE IQNVPKLKDV DATA SEQUENCE DTSMKLLSQL GAKVERDGSV HIDARDVNVF CAPYDLVKTM RASIWALGPL DATA SEQUENCE VARFGQGQVS LPGGCTIGAR PVDLHISGLE QLGATIKLEE GYVKASVDGR DATA SEQUENCE LKGAHIVMDK VSVGATVTIM CAATLAEGTT IIENAAREPE IVDTANFLIT DATA SEQUENCE LGAKISGQGT DRIVIEGVER LGGGVYRVLP DRIETGTFLV AAAISRGKII DATA SEQUENCE CRNAQPDTLD AVLAKLRDAG ADIEVGEDWI SLDMHGKRPK AVNVRTAPHP DATA SEQUENCE AFPTDMQAQF TLLNLVAEGT GFITETVFEN RFMHVPELSR MGAHAEIESN DATA SEQUENCE TVICHGVEKL SGAQVMATDL RASASLVLAG CIAEGTTVVD RIYHIDRGYE DATA SEQUENCE RIEDKLRALG ANIERVKG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.295 176.300 -0.008 0.000 1.140 1 M CA 0.000 55.301 55.300 0.001 0.000 0.988 1 M CB 0.000 32.609 32.600 0.015 0.000 1.302 2 D N 2.981 123.367 120.400 -0.024 0.000 2.399 2 D HA 0.428 5.067 4.640 -0.001 0.000 0.241 2 D C 0.011 176.234 176.300 -0.129 0.000 1.133 2 D CA 0.648 54.601 54.000 -0.077 0.000 0.890 2 D CB 1.193 41.924 40.800 -0.115 0.000 1.201 2 D HN 0.309 nan 8.370 nan 0.000 0.432 3 K N 0.702 121.015 120.400 -0.144 0.000 2.482 3 K HA 0.471 4.790 4.320 -0.001 0.000 0.257 3 K C -1.033 175.483 176.600 -0.140 0.000 0.969 3 K CA -0.839 55.367 56.287 -0.134 0.000 0.842 3 K CB 1.630 34.116 32.500 -0.022 0.000 1.359 3 K HN 0.146 nan 8.250 nan 0.000 0.441 4 F N 1.546 121.502 119.950 0.011 0.000 2.415 4 F HA 0.395 4.921 4.527 -0.001 0.000 0.348 4 F C 0.439 176.241 175.800 0.004 0.000 1.119 4 F CA -0.835 57.168 58.000 0.005 0.000 1.069 4 F CB 1.347 40.344 39.000 -0.004 0.000 1.124 4 F HN 0.262 nan 8.300 nan 0.000 0.472 5 R N 3.192 123.825 120.500 0.221 0.000 2.294 5 R HA 0.749 5.088 4.340 -0.001 0.000 0.319 5 R C -1.891 174.453 176.300 0.073 0.000 0.984 5 R CA -0.339 55.829 56.100 0.113 0.000 0.861 5 R CB 1.069 31.416 30.300 0.078 0.000 1.104 5 R HN 0.519 nan 8.270 nan 0.000 0.451 6 V N 4.264 124.204 119.914 0.043 0.000 2.656 6 V HA 0.353 4.473 4.120 -0.001 0.000 0.307 6 V C -0.705 175.389 176.094 0.001 0.000 1.051 6 V CA -0.935 61.367 62.300 0.002 0.000 0.893 6 V CB 2.015 33.828 31.823 -0.016 0.000 0.999 6 V HN 0.740 nan 8.190 nan 0.000 0.426 7 Q N 2.365 122.159 119.800 -0.010 0.000 2.333 7 Q HA 0.707 5.047 4.340 -0.001 0.000 0.268 7 Q C -0.025 175.967 176.000 -0.014 0.000 1.007 7 Q CA -0.214 55.584 55.803 -0.007 0.000 0.810 7 Q CB 2.633 31.368 28.738 -0.005 0.000 1.264 7 Q HN 1.010 nan 8.270 nan 0.000 0.452 8 G N 2.437 111.230 108.800 -0.011 0.000 2.866 8 G HA2 0.713 4.673 3.960 -0.001 0.000 0.289 8 G HA3 0.713 4.673 3.960 -0.001 0.000 0.289 8 G C -2.885 172.009 174.900 -0.010 0.000 1.396 8 G CA -1.149 43.943 45.100 -0.014 0.000 0.848 8 G HN 0.280 nan 8.290 nan 0.000 0.515 9 P HA 0.421 nan 4.420 nan 0.000 0.276 9 P C -0.772 176.519 177.300 -0.015 0.000 1.244 9 P CA 0.005 63.097 63.100 -0.014 0.000 0.801 9 P CB 1.893 33.586 31.700 -0.012 0.000 1.006 10 T N 0.042 114.586 114.554 -0.018 0.000 3.041 10 T HA 0.304 4.654 4.350 -0.001 0.000 0.321 10 T C -1.165 173.524 174.700 -0.019 0.000 1.184 10 T CA -0.751 61.338 62.100 -0.018 0.000 1.050 10 T CB 0.914 69.768 68.868 -0.022 0.000 1.159 10 T HN 0.409 nan 8.240 nan 0.000 0.469 11 K N 5.340 125.730 120.400 -0.017 0.000 2.253 11 K HA 0.556 4.876 4.320 -0.001 0.000 0.277 11 K C -0.633 175.957 176.600 -0.017 0.000 1.053 11 K CA -0.599 55.678 56.287 -0.016 0.000 0.892 11 K CB 0.338 32.830 32.500 -0.014 0.000 1.102 11 K HN 0.507 nan 8.250 nan 0.000 0.469 12 L N 6.198 127.412 121.223 -0.015 0.000 2.278 12 L HA 0.248 4.587 4.340 -0.001 0.000 0.287 12 L C -0.099 176.764 176.870 -0.012 0.000 1.072 12 L CA -0.170 54.664 54.840 -0.010 0.000 0.819 12 L CB 0.580 42.643 42.059 0.006 0.000 1.176 12 L HN 0.767 nan 8.230 nan 0.000 0.435 13 Q N 2.703 122.491 119.800 -0.020 0.000 2.482 13 Q HA 0.858 5.197 4.340 -0.001 0.000 0.286 13 Q C -0.333 175.644 176.000 -0.038 0.000 1.007 13 Q CA -0.586 55.201 55.803 -0.027 0.000 0.801 13 Q CB 2.816 31.538 28.738 -0.027 0.000 1.455 13 Q HN 0.639 nan 8.270 nan 0.000 0.398 14 G N 0.880 109.654 108.800 -0.044 0.000 2.250 14 G HA2 0.060 4.019 3.960 -0.001 0.000 0.196 14 G HA3 0.060 4.019 3.960 -0.001 0.000 0.196 14 G C -1.539 173.321 174.900 -0.066 0.000 1.308 14 G CA -0.047 45.020 45.100 -0.056 0.000 1.207 14 G HN 1.092 nan 8.290 nan 0.000 0.505 15 E N -1.915 118.235 120.200 -0.084 0.000 2.433 15 E HA 0.772 5.122 4.350 -0.001 0.000 0.273 15 E C -1.542 174.971 176.600 -0.145 0.000 0.950 15 E CA -1.048 55.295 56.400 -0.096 0.000 0.796 15 E CB 2.730 32.380 29.700 -0.083 0.000 1.330 15 E HN 1.487 nan 8.360 nan 0.000 0.455 16 V N 0.509 120.323 119.914 -0.168 0.000 2.932 16 V HA 0.448 4.568 4.120 -0.001 0.000 0.307 16 V C -1.392 174.604 176.094 -0.162 0.000 1.147 16 V CA -0.305 61.841 62.300 -0.257 0.000 0.951 16 V CB 2.505 33.996 31.823 -0.552 0.000 1.031 16 V HN 0.886 nan 8.190 nan 0.000 0.426 17 T N 7.466 121.939 114.554 -0.136 0.000 2.744 17 T HA 0.514 4.864 4.350 -0.001 0.000 0.291 17 T C -0.132 174.546 174.700 -0.038 0.000 0.957 17 T CA -0.240 61.823 62.100 -0.062 0.000 1.002 17 T CB 0.547 69.391 68.868 -0.040 0.000 0.919 17 T HN 0.463 nan 8.240 nan 0.000 0.468 18 I N 3.411 123.987 120.570 0.009 0.000 2.533 18 I HA 0.138 4.308 4.170 -0.001 0.000 0.284 18 I C 1.183 177.330 176.117 0.051 0.000 1.109 18 I CA 0.006 61.340 61.300 0.058 0.000 1.412 18 I CB 0.117 38.163 38.000 0.076 0.000 1.396 18 I HN 0.564 nan 8.210 nan 0.000 0.543 19 S N 4.266 120.010 115.700 0.073 0.000 2.634 19 S HA 0.434 4.904 4.470 -0.001 0.000 0.261 19 S C 0.741 175.363 174.600 0.036 0.000 1.271 19 S CA -0.534 57.697 58.200 0.052 0.000 0.985 19 S CB 0.979 64.220 63.200 0.067 0.000 0.968 19 S HN 0.852 nan 8.310 nan 0.000 0.568 20 G N 0.143 108.954 108.800 0.017 0.000 2.491 20 G HA2 0.435 4.394 3.960 -0.001 0.000 0.238 20 G HA3 0.435 4.394 3.960 -0.001 0.000 0.238 20 G C -0.039 174.863 174.900 0.003 0.000 1.277 20 G CA -0.366 44.737 45.100 0.004 0.000 0.851 20 G HN 0.914 nan 8.290 nan 0.000 0.573 21 A N 1.675 124.494 122.820 -0.001 0.000 2.515 21 A HA 0.216 4.536 4.320 -0.001 0.000 0.263 21 A C 1.673 179.251 177.584 -0.011 0.000 1.096 21 A CA 0.267 52.299 52.037 -0.008 0.000 0.769 21 A CB 0.196 19.191 19.000 -0.008 0.000 1.040 21 A HN 0.910 nan 8.150 nan 0.000 0.505 22 K N 2.455 122.841 120.400 -0.022 0.000 2.074 22 K HA -0.199 4.121 4.320 -0.001 0.000 0.209 22 K C 0.560 177.176 176.600 0.027 0.000 1.048 22 K CA 2.037 58.316 56.287 -0.013 0.000 0.926 22 K CB -0.083 32.386 32.500 -0.052 0.000 0.713 22 K HN 0.716 nan 8.250 nan 0.000 0.444 23 N N -0.115 118.604 118.700 0.032 0.000 2.383 23 N HA 0.042 4.781 4.740 -0.001 0.000 0.192 23 N C 0.703 176.252 175.510 0.066 0.000 1.141 23 N CA 0.656 53.762 53.050 0.093 0.000 0.851 23 N CB 0.714 39.258 38.487 0.094 0.000 0.976 23 N HN 0.332 nan 8.380 nan 0.000 0.465 24 A N 0.129 122.957 122.820 0.013 0.000 1.963 24 A HA 0.394 4.713 4.320 -0.001 0.000 0.207 24 A C 2.196 179.741 177.584 -0.065 0.000 1.243 24 A CA 0.824 52.844 52.037 -0.029 0.000 0.728 24 A CB -0.541 18.452 19.000 -0.012 0.000 0.895 24 A HN 0.178 nan 8.150 nan 0.000 0.467 25 A N 0.098 122.893 122.820 -0.042 0.000 1.892 25 A HA -0.124 4.196 4.320 -0.001 0.000 0.218 25 A C 2.045 179.587 177.584 -0.070 0.000 1.188 25 A CA 1.918 53.911 52.037 -0.074 0.000 0.631 25 A CB -0.700 18.273 19.000 -0.046 0.000 0.822 25 A HN 0.396 nan 8.150 nan 0.000 0.447 26 L N -0.083 121.165 121.223 0.043 0.000 1.989 26 L HA -0.091 4.248 4.340 -0.001 0.000 0.211 26 L C -0.461 176.532 176.870 0.205 0.000 1.071 26 L CA 2.562 57.520 54.840 0.195 0.000 0.749 26 L CB -1.272 41.035 42.059 0.414 0.000 0.890 26 L HN 0.238 nan 8.230 nan 0.000 0.431 27 P HA -0.104 nan 4.420 nan 0.000 0.219 27 P C 2.066 179.201 177.300 -0.275 0.000 1.150 27 P CA 1.388 64.181 63.100 -0.512 0.000 0.814 27 P CB 0.075 31.259 31.700 -0.860 0.000 0.787 28 I N -1.395 118.997 120.570 -0.296 0.000 2.202 28 I HA -0.214 3.956 4.170 -0.001 0.000 0.242 28 I C 2.022 177.883 176.117 -0.425 0.000 1.091 28 I CA 1.081 62.083 61.300 -0.496 0.000 1.368 28 I CB -0.669 36.908 38.000 -0.706 0.000 1.058 28 I HN -0.137 nan 8.210 nan 0.000 0.410 29 L N -0.156 120.874 121.223 -0.321 0.000 2.081 29 L HA -0.233 4.107 4.340 -0.001 0.000 0.212 29 L C 2.129 178.827 176.870 -0.288 0.000 1.080 29 L CA 2.103 56.751 54.840 -0.320 0.000 0.754 29 L CB -0.817 41.010 42.059 -0.387 0.000 0.893 29 L HN 0.117 nan 8.230 nan 0.000 0.433 30 F N -1.339 118.591 119.950 -0.035 0.000 2.416 30 F HA 0.036 4.563 4.527 -0.001 0.000 0.296 30 F C 2.337 178.158 175.800 0.035 0.000 1.099 30 F CA 0.724 58.745 58.000 0.035 0.000 1.427 30 F CB -0.833 38.226 39.000 0.098 0.000 1.079 30 F HN 0.015 nan 8.300 nan 0.000 0.536 31 A N -0.079 122.825 122.820 0.140 0.000 2.066 31 A HA 0.094 4.413 4.320 -0.001 0.000 0.218 31 A C 2.328 180.061 177.584 0.248 0.000 1.157 31 A CA 1.185 53.325 52.037 0.172 0.000 0.670 31 A CB -1.008 18.105 19.000 0.189 0.000 0.804 31 A HN 0.247 nan 8.150 nan 0.000 0.453 32 A N -0.108 122.842 122.820 0.215 0.000 2.067 32 A HA 0.022 4.341 4.320 -0.001 0.000 0.219 32 A C 1.934 179.621 177.584 0.171 0.000 1.158 32 A CA 1.079 53.255 52.037 0.231 0.000 0.661 32 A CB -0.547 18.537 19.000 0.141 0.000 0.801 32 A HN 0.487 nan 8.150 nan 0.000 0.452 33 L N -0.712 120.618 121.223 0.178 0.000 2.261 33 L HA -0.182 4.158 4.340 -0.001 0.000 0.216 33 L C 2.156 179.153 176.870 0.211 0.000 1.114 33 L CA 0.764 55.736 54.840 0.219 0.000 0.777 33 L CB -0.435 41.787 42.059 0.271 0.000 0.910 33 L HN 0.421 nan 8.230 nan 0.000 0.440 34 L N -0.529 120.782 121.223 0.147 0.000 2.313 34 L HA 0.043 4.382 4.340 -0.001 0.000 0.214 34 L C 1.435 178.322 176.870 0.029 0.000 1.119 34 L CA -0.207 54.674 54.840 0.069 0.000 0.809 34 L CB -0.410 41.672 42.059 0.039 0.000 0.933 34 L HN 0.140 nan 8.230 nan 0.000 0.449 35 A N 0.302 123.156 122.820 0.057 0.000 2.401 35 A HA 0.141 4.461 4.320 -0.001 0.000 0.259 35 A C 0.827 178.433 177.584 0.037 0.000 1.103 35 A CA -0.193 51.859 52.037 0.026 0.000 0.789 35 A CB 0.250 19.277 19.000 0.045 0.000 1.035 35 A HN 0.319 nan 8.150 nan 0.000 0.491 36 E N 0.594 120.800 120.200 0.009 0.000 2.481 36 E HA 0.062 4.411 4.350 -0.001 0.000 0.198 36 E C -0.305 176.309 176.600 0.023 0.000 1.027 36 E CA 0.080 56.490 56.400 0.016 0.000 0.900 36 E CB 0.488 30.182 29.700 -0.010 0.000 0.993 36 E HN 0.653 nan 8.360 nan 0.000 0.482 37 E N 0.850 121.063 120.200 0.021 0.000 2.299 37 E HA 0.358 4.708 4.350 -0.001 0.000 0.265 37 E C -2.566 174.062 176.600 0.046 0.000 0.911 37 E CA -2.602 53.814 56.400 0.028 0.000 0.789 37 E CB 1.216 30.925 29.700 0.015 0.000 1.246 37 E HN -0.156 nan 8.360 nan 0.000 0.427 38 P HA 0.051 nan 4.420 nan 0.000 0.268 38 P C -0.659 176.701 177.300 0.099 0.000 1.208 38 P CA -0.035 63.112 63.100 0.078 0.000 0.777 38 P CB 0.580 32.322 31.700 0.070 0.000 0.875 39 V N 1.205 121.199 119.914 0.134 0.000 3.007 39 V HA 0.430 4.550 4.120 -0.001 0.000 0.311 39 V C -1.092 175.099 176.094 0.160 0.000 1.120 39 V CA -0.671 61.726 62.300 0.161 0.000 0.980 39 V CB 2.108 34.060 31.823 0.215 0.000 1.033 39 V HN 0.558 nan 8.190 nan 0.000 0.429 40 E N 4.137 124.417 120.200 0.133 0.000 2.218 40 E HA 0.530 4.880 4.350 -0.001 0.000 0.263 40 E C -1.794 174.803 176.600 -0.004 0.000 0.879 40 E CA -0.677 55.710 56.400 -0.022 0.000 0.762 40 E CB 1.735 31.413 29.700 -0.037 0.000 1.166 40 E HN 0.586 nan 8.360 nan 0.000 0.415 41 I N 4.028 124.546 120.570 -0.087 0.000 2.321 41 I HA 0.170 4.340 4.170 -0.001 0.000 0.291 41 I C 0.136 176.200 176.117 -0.089 0.000 0.998 41 I CA -0.165 61.101 61.300 -0.057 0.000 1.227 41 I CB 1.536 39.459 38.000 -0.128 0.000 1.368 41 I HN 0.453 nan 8.210 nan 0.000 0.466 42 Q N 3.946 123.716 119.800 -0.050 0.000 2.215 42 Q HA 0.386 4.726 4.340 -0.001 0.000 0.256 42 Q C 0.261 176.228 176.000 -0.055 0.000 0.972 42 Q CA -0.767 54.998 55.803 -0.064 0.000 0.889 42 Q CB 0.881 29.585 28.738 -0.056 0.000 1.281 42 Q HN 0.556 nan 8.270 nan 0.000 0.456 43 N N -0.268 118.404 118.700 -0.047 0.000 2.758 43 N HA -0.156 4.583 4.740 -0.001 0.000 0.248 43 N C -1.784 173.709 175.510 -0.030 0.000 1.076 43 N CA 0.258 53.288 53.050 -0.034 0.000 0.696 43 N CB -0.973 37.492 38.487 -0.037 0.000 0.979 43 N HN 0.317 nan 8.380 nan 0.000 0.550 44 V N 1.893 121.786 119.914 -0.036 0.000 2.432 44 V HA 0.439 4.559 4.120 -0.001 0.000 0.275 44 V C -1.503 174.581 176.094 -0.017 0.000 1.043 44 V CA -1.110 61.169 62.300 -0.034 0.000 0.925 44 V CB 1.419 33.210 31.823 -0.054 0.000 0.985 44 V HN 0.195 nan 8.190 nan 0.000 0.466 45 P HA 0.149 nan 4.420 nan 0.000 0.271 45 P C -0.778 176.529 177.300 0.012 0.000 1.218 45 P CA -0.377 62.730 63.100 0.011 0.000 0.780 45 P CB 0.683 32.391 31.700 0.013 0.000 0.901 46 K N 3.217 123.632 120.400 0.025 0.000 2.183 46 K HA 0.375 4.695 4.320 -0.001 0.000 0.272 46 K C -0.128 176.496 176.600 0.040 0.000 1.113 46 K CA -0.153 56.151 56.287 0.027 0.000 0.949 46 K CB -0.014 32.505 32.500 0.031 0.000 1.365 46 K HN 0.452 nan 8.250 nan 0.000 0.420 47 L N 1.481 122.722 121.223 0.030 0.000 2.333 47 L HA 0.319 4.659 4.340 -0.001 0.000 0.263 47 L C 1.296 178.185 176.870 0.032 0.000 1.014 47 L CA -0.866 53.997 54.840 0.037 0.000 0.820 47 L CB 1.865 43.937 42.059 0.022 0.000 1.352 47 L HN 0.373 nan 8.230 nan 0.000 0.421 48 K N 0.247 120.671 120.400 0.040 0.000 2.147 48 K HA -0.157 4.162 4.320 -0.001 0.000 0.205 48 K C 1.011 177.630 176.600 0.033 0.000 1.049 48 K CA 1.491 57.799 56.287 0.036 0.000 0.936 48 K CB 0.181 32.709 32.500 0.047 0.000 0.722 48 K HN 0.537 nan 8.250 nan 0.000 0.446 49 D N -0.312 120.110 120.400 0.037 0.000 2.178 49 D HA -0.124 4.516 4.640 -0.001 0.000 0.201 49 D C 1.677 178.004 176.300 0.045 0.000 0.980 49 D CA 0.746 54.774 54.000 0.047 0.000 0.842 49 D CB 0.049 40.879 40.800 0.050 0.000 0.948 49 D HN -0.043 nan 8.370 nan 0.000 0.472 50 V N 1.177 121.104 119.914 0.022 0.000 2.358 50 V HA -0.194 3.926 4.120 -0.001 0.000 0.246 50 V C 1.739 177.824 176.094 -0.014 0.000 1.047 50 V CA 1.541 63.838 62.300 -0.006 0.000 1.035 50 V CB -0.352 31.462 31.823 -0.015 0.000 0.658 50 V HN 0.094 nan 8.190 nan 0.000 0.452 51 D N 0.182 120.582 120.400 0.000 0.000 2.106 51 D HA -0.171 4.469 4.640 -0.001 0.000 0.191 51 D C 2.264 178.565 176.300 0.001 0.000 0.997 51 D CA 2.088 56.087 54.000 -0.002 0.000 0.834 51 D CB -0.674 40.129 40.800 0.005 0.000 0.956 51 D HN 0.375 nan 8.370 nan 0.000 0.448 52 T N 0.376 114.940 114.554 0.018 0.000 2.759 52 T HA -0.110 4.239 4.350 -0.001 0.000 0.269 52 T C 2.178 176.907 174.700 0.048 0.000 1.042 52 T CA 1.443 63.563 62.100 0.034 0.000 1.140 52 T CB -0.242 68.655 68.868 0.048 0.000 0.864 52 T HN 0.049 nan 8.240 nan 0.000 0.455 53 S N 1.227 116.945 115.700 0.029 0.000 2.356 53 S HA -0.010 4.460 4.470 -0.001 0.000 0.223 53 S C 2.136 176.658 174.600 -0.130 0.000 1.032 53 S CA 1.124 59.288 58.200 -0.060 0.000 1.005 53 S CB -0.365 62.714 63.200 -0.201 0.000 0.867 53 S HN 0.433 nan 8.310 nan 0.000 0.449 54 M N 1.164 120.707 119.600 -0.095 0.000 2.080 54 M HA -0.173 4.307 4.480 -0.001 0.000 0.260 54 M C 2.269 178.546 176.300 -0.038 0.000 1.068 54 M CA 1.621 56.875 55.300 -0.076 0.000 1.109 54 M CB -0.508 32.062 32.600 -0.051 0.000 1.342 54 M HN 0.190 nan 8.290 nan 0.000 0.405 55 K N 0.943 121.334 120.400 -0.015 0.000 2.074 55 K HA -0.217 4.103 4.320 -0.001 0.000 0.209 55 K C 1.742 178.350 176.600 0.014 0.000 1.048 55 K CA 1.465 57.752 56.287 0.001 0.000 0.926 55 K CB -0.392 32.113 32.500 0.008 0.000 0.713 55 K HN 0.193 nan 8.250 nan 0.000 0.444 56 L N 0.341 121.585 121.223 0.035 0.000 2.044 56 L HA 0.000 4.340 4.340 -0.001 0.000 0.205 56 L C 1.857 178.758 176.870 0.052 0.000 1.075 56 L CA 1.398 56.284 54.840 0.077 0.000 0.747 56 L CB -0.740 41.429 42.059 0.184 0.000 0.903 56 L HN 0.213 nan 8.230 nan 0.000 0.435 57 L N -0.262 120.964 121.223 0.005 0.000 1.990 57 L HA -0.264 4.076 4.340 -0.001 0.000 0.213 57 L C 2.913 179.777 176.870 -0.010 0.000 1.072 57 L CA 2.236 57.068 54.840 -0.013 0.000 0.755 57 L CB -1.485 40.529 42.059 -0.075 0.000 0.889 57 L HN 0.531 nan 8.230 nan 0.000 0.432 58 S N -1.308 114.382 115.700 -0.017 0.000 2.365 58 S HA -0.326 4.143 4.470 -0.001 0.000 0.225 58 S C 2.082 176.667 174.600 -0.025 0.000 1.039 58 S CA 1.854 60.044 58.200 -0.017 0.000 1.033 58 S CB -0.286 62.906 63.200 -0.014 0.000 0.887 58 S HN 0.553 nan 8.310 nan 0.000 0.447 59 Q N -0.137 119.652 119.800 -0.017 0.000 2.181 59 Q HA -0.001 4.339 4.340 -0.001 0.000 0.205 59 Q C 1.985 177.950 176.000 -0.059 0.000 0.980 59 Q CA 1.406 57.193 55.803 -0.026 0.000 0.862 59 Q CB -0.180 28.556 28.738 -0.003 0.000 0.905 59 Q HN 0.617 nan 8.270 nan 0.000 0.429 60 L N -1.617 119.572 121.223 -0.058 0.000 2.478 60 L HA 0.074 4.414 4.340 -0.001 0.000 0.223 60 L C 1.263 178.029 176.870 -0.173 0.000 1.140 60 L CA 0.674 55.440 54.840 -0.123 0.000 0.842 60 L CB 0.110 42.130 42.059 -0.064 0.000 0.953 60 L HN 0.530 nan 8.230 nan 0.000 0.452 61 G N -0.676 108.060 108.800 -0.106 0.000 2.175 61 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.182 61 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.182 61 G C 0.277 175.152 174.900 -0.042 0.000 1.003 61 G CA -0.183 44.861 45.100 -0.093 0.000 0.666 61 G HN 0.425 nan 8.290 nan 0.000 0.506 62 A N -0.157 122.651 122.820 -0.020 0.000 2.322 62 A HA 0.746 5.066 4.320 -0.001 0.000 0.269 62 A C 0.315 177.903 177.584 0.006 0.000 1.094 62 A CA 0.141 52.184 52.037 0.010 0.000 0.807 62 A CB 0.511 19.524 19.000 0.023 0.000 1.047 62 A HN 0.294 nan 8.150 nan 0.000 0.487 63 K N 0.631 121.042 120.400 0.019 0.000 2.262 63 K HA 0.523 4.842 4.320 -0.001 0.000 0.282 63 K C -1.142 175.475 176.600 0.027 0.000 1.066 63 K CA 0.113 56.411 56.287 0.018 0.000 0.901 63 K CB 1.245 33.758 32.500 0.021 0.000 1.089 63 K HN 0.398 nan 8.250 nan 0.000 0.476 64 V N 3.308 123.234 119.914 0.020 0.000 2.709 64 V HA 0.532 4.652 4.120 -0.001 0.000 0.308 64 V C -0.612 175.501 176.094 0.032 0.000 1.062 64 V CA -0.891 61.424 62.300 0.024 0.000 0.901 64 V CB 1.731 33.552 31.823 -0.003 0.000 1.003 64 V HN 0.884 nan 8.190 nan 0.000 0.425 65 E N 3.837 124.072 120.200 0.059 0.000 2.412 65 E HA 0.811 5.161 4.350 -0.001 0.000 0.279 65 E C -1.251 175.394 176.600 0.074 0.000 0.984 65 E CA -1.358 55.078 56.400 0.060 0.000 0.788 65 E CB 2.994 32.731 29.700 0.062 0.000 1.277 65 E HN 0.747 nan 8.360 nan 0.000 0.455 66 R N 1.500 122.032 120.500 0.053 0.000 2.566 66 R HA 0.276 4.615 4.340 -0.001 0.000 0.271 66 R C -0.480 175.843 176.300 0.037 0.000 1.071 66 R CA -0.272 55.851 56.100 0.038 0.000 0.915 66 R CB 1.335 31.636 30.300 0.000 0.000 1.228 66 R HN 0.650 nan 8.270 nan 0.000 0.449 67 D N 2.409 122.835 120.400 0.042 0.000 3.670 67 D HA -0.290 4.350 4.640 -0.001 0.000 0.369 67 D C 1.245 177.557 176.300 0.018 0.000 0.663 67 D CA 3.294 57.311 54.000 0.028 0.000 0.924 67 D CB -0.227 40.579 40.800 0.010 0.000 0.427 67 D HN 0.703 nan 8.370 nan 0.000 0.240 68 G N -1.834 106.967 108.800 0.001 0.000 2.492 68 G HA2 0.196 4.156 3.960 -0.001 0.000 0.214 68 G HA3 0.196 4.156 3.960 -0.001 0.000 0.214 68 G C 0.267 175.145 174.900 -0.036 0.000 1.147 68 G CA 0.772 45.866 45.100 -0.011 0.000 0.809 68 G HN 0.369 nan 8.290 nan 0.000 0.533 69 S N -1.462 114.203 115.700 -0.059 0.000 2.726 69 S HA 0.687 5.157 4.470 -0.001 0.000 0.308 69 S C -0.965 173.541 174.600 -0.157 0.000 1.115 69 S CA -0.538 57.582 58.200 -0.133 0.000 0.965 69 S CB 2.422 65.491 63.200 -0.218 0.000 1.145 69 S HN 0.011 nan 8.310 nan 0.000 0.532 70 V N 2.118 121.902 119.914 -0.216 0.000 2.540 70 V HA 0.422 4.541 4.120 -0.001 0.000 0.302 70 V C -0.977 174.961 176.094 -0.259 0.000 1.035 70 V CA -0.685 61.516 62.300 -0.166 0.000 0.873 70 V CB 1.499 33.256 31.823 -0.109 0.000 0.992 70 V HN 0.796 nan 8.190 nan 0.000 0.428 71 H N 4.992 124.062 119.070 -0.001 0.000 2.504 71 H HA 0.603 5.158 4.556 -0.001 0.000 0.322 71 H C -0.811 174.521 175.328 0.007 0.000 1.055 71 H CA -0.262 55.793 56.048 0.011 0.000 1.231 71 H CB 1.976 31.745 29.762 0.013 0.000 1.417 71 H HN 0.480 nan 8.280 nan 0.000 0.472 72 I N 2.799 123.442 120.570 0.120 0.000 2.436 72 I HA 0.070 4.239 4.170 -0.001 0.000 0.289 72 I C -0.221 175.951 176.117 0.091 0.000 1.010 72 I CA -0.574 60.772 61.300 0.078 0.000 1.098 72 I CB 2.012 40.038 38.000 0.044 0.000 1.266 72 I HN 0.413 nan 8.210 nan 0.000 0.434 73 D N 5.677 126.120 120.400 0.072 0.000 2.461 73 D HA 0.479 5.118 4.640 -0.001 0.000 0.240 73 D C 0.044 176.384 176.300 0.068 0.000 1.094 73 D CA -0.347 53.693 54.000 0.067 0.000 0.868 73 D CB 1.909 42.740 40.800 0.051 0.000 1.062 73 D HN 0.622 nan 8.370 nan 0.000 0.530 74 A N 4.341 127.212 122.820 0.086 0.000 2.545 74 A HA 0.170 4.490 4.320 -0.001 0.000 0.277 74 A C 1.743 179.411 177.584 0.141 0.000 1.301 74 A CA -0.243 51.861 52.037 0.112 0.000 0.935 74 A CB -0.006 19.076 19.000 0.137 0.000 1.093 74 A HN 0.518 nan 8.150 nan 0.000 0.519 75 R N 0.124 120.688 120.500 0.106 0.000 2.075 75 R HA -0.061 4.279 4.340 -0.001 0.000 0.232 75 R C 0.017 176.399 176.300 0.137 0.000 1.126 75 R CA 1.323 57.490 56.100 0.112 0.000 0.963 75 R CB -0.008 30.335 30.300 0.073 0.000 0.858 75 R HN 0.281 nan 8.270 nan 0.000 0.435 76 D N 0.421 120.878 120.400 0.095 0.000 2.460 76 D HA 0.072 4.712 4.640 -0.001 0.000 0.229 76 D C -0.517 175.801 176.300 0.031 0.000 1.170 76 D CA 0.059 54.100 54.000 0.069 0.000 0.827 76 D CB 0.338 41.158 40.800 0.032 0.000 0.973 76 D HN -0.122 nan 8.370 nan 0.000 0.496 77 V N 2.863 122.817 119.914 0.066 0.000 2.540 77 V HA 0.000 4.120 4.120 -0.001 0.000 0.297 77 V C 1.217 177.135 176.094 -0.294 0.000 1.024 77 V CA 0.439 62.680 62.300 -0.099 0.000 1.105 77 V CB 0.587 32.389 31.823 -0.034 0.000 0.938 77 V HN 0.348 nan 8.190 nan 0.000 0.482 78 N N 3.418 121.822 118.700 -0.494 0.000 2.036 78 N HA 0.065 4.804 4.740 -0.001 0.000 0.228 78 N C -0.529 174.377 175.510 -1.008 0.000 1.368 78 N CA -0.007 52.700 53.050 -0.571 0.000 0.846 78 N CB 0.863 39.222 38.487 -0.213 0.000 1.145 78 N HN 0.423 nan 8.380 nan 0.000 0.502 79 V N 0.681 119.947 119.914 -1.079 0.000 2.769 79 V HA 0.653 4.773 4.120 -0.001 0.000 0.312 79 V C -1.217 174.225 176.094 -1.087 0.000 1.061 79 V CA -0.758 60.953 62.300 -0.981 0.000 0.931 79 V CB 1.494 33.072 31.823 -0.409 0.000 1.010 79 V HN 0.025 nan 8.190 nan 0.000 0.433 80 F N 4.206 124.084 119.950 -0.119 0.000 2.814 80 F HA 0.480 5.007 4.527 -0.000 0.000 0.326 80 F C 0.165 175.947 175.800 -0.030 0.000 1.159 80 F CA -0.377 57.565 58.000 -0.096 0.000 1.234 80 F CB 0.642 39.578 39.000 -0.105 0.000 1.016 80 F HN 0.487 nan 8.300 nan 0.000 0.510 81 C N 1.784 121.117 119.300 0.054 0.000 2.441 81 C HA 0.871 5.331 4.460 -0.001 0.000 0.318 81 C C 0.016 175.060 174.990 0.090 0.000 1.222 81 C CA -0.433 58.624 59.018 0.066 0.000 1.474 81 C CB -0.031 27.696 27.740 -0.021 0.000 2.125 81 C HN 0.457 nan 8.230 nan 0.000 0.479 82 A N 8.708 131.619 122.820 0.151 0.000 2.294 82 A HA 0.682 5.001 4.320 -0.001 0.000 0.316 82 A C -2.404 175.326 177.584 0.242 0.000 1.359 82 A CA -1.079 51.051 52.037 0.155 0.000 0.956 82 A CB 0.084 19.158 19.000 0.123 0.000 1.155 82 A HN 0.805 nan 8.150 nan 0.000 0.544 83 P HA 0.009 nan 4.420 nan 0.000 0.274 83 P C 0.371 177.823 177.300 0.254 0.000 1.237 83 P CA -0.142 63.161 63.100 0.339 0.000 0.793 83 P CB 0.710 32.530 31.700 0.200 0.000 0.977 84 Y N 2.042 122.426 120.300 0.139 0.000 2.069 84 Y HA -0.304 4.246 4.550 -0.001 0.000 0.278 84 Y C 1.867 177.765 175.900 -0.002 0.000 1.175 84 Y CA 2.300 60.383 58.100 -0.028 0.000 1.134 84 Y CB -0.878 37.551 38.460 -0.052 0.000 0.965 84 Y HN 0.278 nan 8.280 nan 0.000 0.498 85 D N -0.008 120.481 120.400 0.149 0.000 2.315 85 D HA -0.178 4.461 4.640 -0.001 0.000 0.211 85 D C 1.909 178.176 176.300 -0.056 0.000 0.977 85 D CA 1.311 55.329 54.000 0.031 0.000 0.894 85 D CB -0.203 40.653 40.800 0.092 0.000 0.910 85 D HN 0.510 nan 8.370 nan 0.000 0.490 86 L N -0.992 120.206 121.223 -0.041 0.000 2.500 86 L HA 0.043 4.383 4.340 -0.001 0.000 0.219 86 L C 1.780 178.607 176.870 -0.073 0.000 1.057 86 L CA 0.193 55.014 54.840 -0.032 0.000 0.854 86 L CB 0.393 42.468 42.059 0.026 0.000 1.078 86 L HN -0.219 nan 8.230 nan 0.000 0.480 87 V N 1.034 120.880 119.914 -0.114 0.000 2.809 87 V HA -0.202 3.918 4.120 -0.001 0.000 0.256 87 V C 2.332 178.296 176.094 -0.217 0.000 1.080 87 V CA 1.862 64.075 62.300 -0.147 0.000 1.102 87 V CB -0.780 30.956 31.823 -0.145 0.000 0.705 87 V HN 0.557 nan 8.190 nan 0.000 0.475 88 K N 1.183 121.391 120.400 -0.320 0.000 2.228 88 K HA -0.097 4.223 4.320 -0.001 0.000 0.202 88 K C 1.887 178.376 176.600 -0.184 0.000 1.051 88 K CA 1.526 57.613 56.287 -0.333 0.000 0.960 88 K CB -0.626 31.550 32.500 -0.540 0.000 0.743 88 K HN 0.544 nan 8.250 nan 0.000 0.458 89 T N -1.619 112.852 114.554 -0.138 0.000 3.043 89 T HA 0.067 4.417 4.350 -0.001 0.000 0.263 89 T C 0.808 175.479 174.700 -0.048 0.000 1.094 89 T CA 0.129 62.185 62.100 -0.074 0.000 1.127 89 T CB -0.049 68.784 68.868 -0.057 0.000 0.905 89 T HN 0.274 nan 8.240 nan 0.000 0.490 90 M N 1.958 121.519 119.600 -0.066 0.000 2.295 90 M HA 0.323 4.802 4.480 -0.001 0.000 0.219 90 M C 0.554 176.792 176.300 -0.103 0.000 0.981 90 M CA -0.675 54.592 55.300 -0.054 0.000 1.019 90 M CB 1.266 33.867 32.600 0.002 0.000 2.528 90 M HN 0.150 nan 8.290 nan 0.000 0.445 91 R N 1.694 122.106 120.500 -0.146 0.000 2.341 91 R HA 0.027 4.366 4.340 -0.001 0.000 0.213 91 R C 1.018 177.137 176.300 -0.302 0.000 1.082 91 R CA 1.396 57.371 56.100 -0.208 0.000 1.017 91 R CB -0.419 29.759 30.300 -0.204 0.000 0.860 91 R HN 0.634 nan 8.270 nan 0.000 0.473 92 A N 1.218 123.860 122.820 -0.296 0.000 2.121 92 A HA -0.031 4.289 4.320 -0.001 0.000 0.218 92 A C 2.053 179.364 177.584 -0.455 0.000 1.154 92 A CA 1.085 52.836 52.037 -0.476 0.000 0.679 92 A CB -0.305 18.517 19.000 -0.296 0.000 0.795 92 A HN 0.407 nan 8.150 nan 0.000 0.458 93 S N -0.140 115.396 115.700 -0.274 0.000 2.423 93 S HA -0.233 4.237 4.470 -0.001 0.000 0.238 93 S C 1.679 176.051 174.600 -0.380 0.000 1.028 93 S CA 1.518 59.550 58.200 -0.280 0.000 1.000 93 S CB -0.492 62.662 63.200 -0.076 0.000 0.797 93 S HN 0.624 nan 8.310 nan 0.000 0.487 94 I N 0.746 121.099 120.570 -0.362 0.000 2.530 94 I HA -0.133 4.037 4.170 -0.001 0.000 0.257 94 I C 1.479 177.471 176.117 -0.208 0.000 1.179 94 I CA 0.891 62.013 61.300 -0.297 0.000 1.440 94 I CB -0.387 37.362 38.000 -0.418 0.000 1.087 94 I HN 0.379 nan 8.210 nan 0.000 0.440 95 W N 0.627 121.668 121.300 -0.432 0.000 2.611 95 W HA 0.005 4.665 4.660 -0.001 0.000 0.251 95 W C 2.420 178.757 176.519 -0.303 0.000 1.265 95 W CA 0.886 58.007 57.345 -0.374 0.000 1.295 95 W CB -1.119 28.052 29.460 -0.482 0.000 1.129 95 W HN 0.313 nan 8.180 nan 0.000 0.630 96 A N -0.210 122.526 122.820 -0.140 0.000 1.969 96 A HA -0.144 4.176 4.320 -0.001 0.000 0.218 96 A C 1.969 179.647 177.584 0.156 0.000 1.169 96 A CA 1.211 53.313 52.037 0.109 0.000 0.635 96 A CB -0.787 18.307 19.000 0.156 0.000 0.810 96 A HN 0.138 nan 8.150 nan 0.000 0.445 97 L N 0.353 121.645 121.223 0.114 0.000 1.978 97 L HA -0.154 4.185 4.340 -0.001 0.000 0.218 97 L C 2.447 179.407 176.870 0.150 0.000 1.075 97 L CA 2.544 57.461 54.840 0.129 0.000 0.767 97 L CB -1.266 40.853 42.059 0.100 0.000 0.890 97 L HN 0.335 nan 8.230 nan 0.000 0.434 98 G N -0.764 108.133 108.800 0.162 0.000 2.586 98 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.218 98 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.218 98 G C -0.607 174.377 174.900 0.139 0.000 1.216 98 G CA 1.096 46.282 45.100 0.144 0.000 0.786 98 G HN 0.409 nan 8.290 nan 0.000 0.583 99 P HA -0.037 nan 4.420 nan 0.000 0.215 99 P C 2.172 179.609 177.300 0.227 0.000 1.153 99 P CA 0.702 63.906 63.100 0.173 0.000 0.853 99 P CB -0.144 31.682 31.700 0.210 0.000 0.788 100 L N -1.076 120.312 121.223 0.275 0.000 2.012 100 L HA -0.175 4.165 4.340 -0.001 0.000 0.210 100 L C 2.328 179.363 176.870 0.275 0.000 1.073 100 L CA 1.618 56.675 54.840 0.363 0.000 0.748 100 L CB -1.185 41.054 42.059 0.299 0.000 0.891 100 L HN -0.106 nan 8.230 nan 0.000 0.431 101 V N -0.163 119.848 119.914 0.162 0.000 2.427 101 V HA -0.221 3.899 4.120 -0.001 0.000 0.248 101 V C 2.708 178.841 176.094 0.064 0.000 1.051 101 V CA 1.586 63.942 62.300 0.094 0.000 1.048 101 V CB -0.833 31.035 31.823 0.074 0.000 0.666 101 V HN 0.464 nan 8.190 nan 0.000 0.456 102 A N 0.047 122.907 122.820 0.066 0.000 1.902 102 A HA -0.227 4.092 4.320 -0.001 0.000 0.217 102 A C 2.430 179.994 177.584 -0.032 0.000 1.181 102 A CA 2.139 54.189 52.037 0.021 0.000 0.623 102 A CB -0.406 18.610 19.000 0.026 0.000 0.818 102 A HN 0.497 nan 8.150 nan 0.000 0.443 103 R N -2.353 118.117 120.500 -0.051 0.000 2.105 103 R HA 0.146 4.485 4.340 -0.001 0.000 0.214 103 R C 0.823 176.854 176.300 -0.447 0.000 1.091 103 R CA 0.872 56.799 56.100 -0.288 0.000 1.007 103 R CB -0.017 30.023 30.300 -0.434 0.000 0.912 103 R HN 0.457 nan 8.270 nan 0.000 0.450 104 F N -0.602 119.326 119.950 -0.037 0.000 2.678 104 F HA 0.395 4.922 4.527 -0.000 0.000 0.305 104 F C 1.350 177.025 175.800 -0.208 0.000 1.090 104 F CA 0.361 58.275 58.000 -0.143 0.000 1.272 104 F CB 1.332 40.162 39.000 -0.283 0.000 1.060 104 F HN 0.291 nan 8.300 nan 0.000 0.576 105 G N 1.007 109.809 108.800 0.003 0.000 2.189 105 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.267 105 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.267 105 G C 0.122 174.993 174.900 -0.049 0.000 0.975 105 G CA 0.632 45.716 45.100 -0.028 0.000 0.644 105 G HN 0.517 nan 8.290 nan 0.000 0.537 106 Q N -1.636 118.111 119.800 -0.089 0.000 2.511 106 Q HA 0.704 5.044 4.340 -0.001 0.000 0.289 106 Q C -0.416 175.565 176.000 -0.032 0.000 1.021 106 Q CA -0.710 55.036 55.803 -0.095 0.000 0.785 106 Q CB 2.092 30.718 28.738 -0.187 0.000 1.472 106 Q HN 1.507 nan 8.270 nan 0.000 0.411 107 G N 0.979 109.802 108.800 0.038 0.000 2.657 107 G HA2 0.445 4.405 3.960 -0.001 0.000 0.303 107 G HA3 0.445 4.405 3.960 -0.001 0.000 0.303 107 G C -2.021 172.944 174.900 0.109 0.000 1.457 107 G CA -0.624 44.544 45.100 0.114 0.000 0.982 107 G HN 0.361 nan 8.290 nan 0.000 0.583 108 Q N 0.342 120.220 119.800 0.130 0.000 2.339 108 Q HA 0.641 4.981 4.340 -0.001 0.000 0.268 108 Q C -0.446 175.678 176.000 0.207 0.000 1.027 108 Q CA -0.626 55.260 55.803 0.139 0.000 0.759 108 Q CB 2.754 31.522 28.738 0.050 0.000 1.244 108 Q HN 0.476 nan 8.270 nan 0.000 0.464 109 V N 1.182 121.229 119.914 0.222 0.000 2.604 109 V HA 0.508 4.627 4.120 -0.001 0.000 0.305 109 V C -0.090 176.101 176.094 0.161 0.000 1.043 109 V CA -0.925 61.492 62.300 0.195 0.000 0.888 109 V CB 2.156 34.024 31.823 0.074 0.000 0.995 109 V HN 0.777 nan 8.190 nan 0.000 0.429 110 S N 4.700 120.429 115.700 0.047 0.000 2.549 110 S HA 0.196 4.666 4.470 -0.001 0.000 0.286 110 S C -0.149 174.350 174.600 -0.167 0.000 1.314 110 S CA -0.424 57.592 58.200 -0.306 0.000 1.062 110 S CB 0.206 63.201 63.200 -0.342 0.000 0.865 110 S HN 0.613 nan 8.310 nan 0.000 0.498 111 L N 7.007 128.133 121.223 -0.162 0.000 2.418 111 L HA 0.374 4.714 4.340 -0.001 0.000 0.274 111 L C -2.118 174.688 176.870 -0.107 0.000 1.135 111 L CA -1.445 53.330 54.840 -0.109 0.000 0.870 111 L CB 0.286 42.301 42.059 -0.074 0.000 1.154 111 L HN 0.566 nan 8.230 nan 0.000 0.462 112 P HA 0.148 nan 4.420 nan 0.000 0.268 112 P C 0.270 177.518 177.300 -0.087 0.000 1.204 112 P CA -0.096 62.927 63.100 -0.129 0.000 0.768 112 P CB 0.747 32.352 31.700 -0.160 0.000 0.842 113 G N 2.139 110.895 108.800 -0.072 0.000 2.873 113 G HA2 0.434 4.393 3.960 -0.001 0.000 0.170 113 G HA3 0.434 4.393 3.960 -0.001 0.000 0.170 113 G C 0.172 175.044 174.900 -0.047 0.000 1.608 113 G CA -0.239 44.837 45.100 -0.040 0.000 1.084 113 G HN 0.625 nan 8.290 nan 0.000 0.563 114 G N -1.918 106.862 108.800 -0.034 0.000 2.444 114 G HA2 0.428 4.388 3.960 -0.001 0.000 0.268 114 G HA3 0.428 4.388 3.960 -0.001 0.000 0.268 114 G C -0.813 174.058 174.900 -0.049 0.000 1.203 114 G CA -0.043 45.036 45.100 -0.034 0.000 0.835 114 G HN 0.683 nan 8.290 nan 0.000 0.543 115 C N 1.329 120.595 119.300 -0.057 0.000 2.712 115 C HA 0.638 5.098 4.460 -0.001 0.000 0.308 115 C C 1.924 176.867 174.990 -0.078 0.000 1.201 115 C CA 0.170 59.140 59.018 -0.081 0.000 1.554 115 C CB 1.063 28.731 27.740 -0.121 0.000 2.117 115 C HN 0.983 nan 8.230 nan 0.000 0.480 116 T N 1.378 115.879 114.554 -0.087 0.000 2.915 116 T HA -0.130 4.220 4.350 -0.001 0.000 0.269 116 T C 1.443 176.087 174.700 -0.093 0.000 1.071 116 T CA 1.702 63.756 62.100 -0.077 0.000 1.132 116 T CB -0.328 68.493 68.868 -0.078 0.000 0.878 116 T HN 0.850 nan 8.240 nan 0.000 0.479 117 I N -1.177 119.300 120.570 -0.155 0.000 3.428 117 I HA 0.522 4.691 4.170 -0.001 0.000 0.286 117 I C 0.951 177.004 176.117 -0.108 0.000 1.287 117 I CA 0.169 61.358 61.300 -0.183 0.000 1.396 117 I CB -0.550 37.229 38.000 -0.368 0.000 1.062 117 I HN 0.462 nan 8.210 nan 0.000 0.471 118 G N 1.052 109.813 108.800 -0.064 0.000 2.357 118 G HA2 0.320 4.279 3.960 -0.001 0.000 0.289 118 G HA3 0.320 4.279 3.960 -0.001 0.000 0.289 118 G C -1.049 173.872 174.900 0.036 0.000 1.302 118 G CA -0.423 44.692 45.100 0.024 0.000 0.936 118 G HN 0.509 nan 8.290 nan 0.000 0.513 119 A N 0.008 122.870 122.820 0.071 0.000 2.492 119 A HA 0.636 4.956 4.320 -0.001 0.000 0.254 119 A C 0.763 178.399 177.584 0.088 0.000 1.091 119 A CA 0.361 52.433 52.037 0.058 0.000 0.768 119 A CB 0.027 19.058 19.000 0.052 0.000 1.028 119 A HN 0.625 nan 8.150 nan 0.000 0.498 120 R N 3.066 123.595 120.500 0.048 0.000 2.701 120 R HA 0.218 4.558 4.340 -0.001 0.000 0.281 120 R C -2.686 173.622 176.300 0.013 0.000 1.367 120 R CA -1.099 55.035 56.100 0.056 0.000 1.510 120 R CB 0.692 31.006 30.300 0.024 0.000 1.306 120 R HN 0.638 nan 8.270 nan 0.000 0.682 121 P HA 0.055 nan 4.420 nan 0.000 0.272 121 P C 0.688 177.996 177.300 0.014 0.000 1.230 121 P CA -0.149 62.955 63.100 0.006 0.000 0.788 121 P CB 1.092 32.804 31.700 0.020 0.000 0.949 122 V N -2.383 117.529 119.914 -0.005 0.000 2.988 122 V HA 0.099 4.219 4.120 -0.001 0.000 0.356 122 V C 1.213 177.369 176.094 0.105 0.000 1.380 122 V CA 0.015 62.328 62.300 0.021 0.000 1.184 122 V CB -0.471 31.216 31.823 -0.227 0.000 1.204 122 V HN 0.516 nan 8.190 nan 0.000 0.530 123 D N 1.357 121.802 120.400 0.076 0.000 2.158 123 D HA -0.266 4.374 4.640 -0.001 0.000 0.197 123 D C 1.767 178.115 176.300 0.080 0.000 0.995 123 D CA 1.629 55.667 54.000 0.064 0.000 0.846 123 D CB -0.072 40.752 40.800 0.039 0.000 0.941 123 D HN 0.545 nan 8.370 nan 0.000 0.456 124 L N 0.021 121.300 121.223 0.094 0.000 2.141 124 L HA -0.134 4.206 4.340 -0.001 0.000 0.209 124 L C 2.827 179.722 176.870 0.042 0.000 1.094 124 L CA 1.003 55.870 54.840 0.046 0.000 0.763 124 L CB -0.636 41.425 42.059 0.002 0.000 0.908 124 L HN 0.137 nan 8.230 nan 0.000 0.437 125 H N -0.036 119.046 119.070 0.019 0.000 2.299 125 H HA -0.128 4.427 4.556 -0.001 0.000 0.302 125 H C 2.466 177.812 175.328 0.030 0.000 1.078 125 H CA 1.748 57.815 56.048 0.033 0.000 1.323 125 H CB 0.035 29.811 29.762 0.024 0.000 1.381 125 H HN 0.303 nan 8.280 nan 0.000 0.498 126 I N 0.383 121.053 120.570 0.168 0.000 2.127 126 I HA -0.298 3.872 4.170 -0.001 0.000 0.241 126 I C 2.934 179.090 176.117 0.065 0.000 1.075 126 I CA 1.314 62.670 61.300 0.094 0.000 1.334 126 I CB -0.316 37.723 38.000 0.066 0.000 1.040 126 I HN 0.172 nan 8.210 nan 0.000 0.405 127 S N 0.874 116.606 115.700 0.053 0.000 2.370 127 S HA -0.157 4.312 4.470 -0.001 0.000 0.226 127 S C 2.145 176.759 174.600 0.023 0.000 1.033 127 S CA 1.699 59.918 58.200 0.031 0.000 1.011 127 S CB -0.770 62.442 63.200 0.021 0.000 0.852 127 S HN 0.555 nan 8.310 nan 0.000 0.457 128 G N 1.414 110.227 108.800 0.022 0.000 2.440 128 G HA2 -0.102 3.858 3.960 -0.001 0.000 0.218 128 G HA3 -0.102 3.858 3.960 -0.001 0.000 0.218 128 G C 1.469 176.383 174.900 0.024 0.000 1.154 128 G CA 0.933 46.039 45.100 0.011 0.000 0.767 128 G HN 0.527 nan 8.290 nan 0.000 0.552 129 L N -0.133 121.115 121.223 0.042 0.000 2.093 129 L HA -0.009 4.331 4.340 -0.001 0.000 0.208 129 L C 2.880 179.771 176.870 0.035 0.000 1.085 129 L CA 1.041 55.908 54.840 0.046 0.000 0.755 129 L CB -0.378 41.719 42.059 0.064 0.000 0.904 129 L HN 0.289 nan 8.230 nan 0.000 0.435 130 E N -0.262 119.958 120.200 0.033 0.000 2.110 130 E HA -0.290 4.060 4.350 -0.001 0.000 0.193 130 E C 2.154 178.766 176.600 0.020 0.000 0.988 130 E CA 1.036 57.451 56.400 0.026 0.000 0.804 130 E CB -0.020 29.695 29.700 0.024 0.000 0.745 130 E HN 0.450 nan 8.360 nan 0.000 0.458 131 Q N 0.133 119.943 119.800 0.017 0.000 2.291 131 Q HA -0.041 4.299 4.340 -0.001 0.000 0.205 131 Q C 1.586 177.595 176.000 0.016 0.000 0.970 131 Q CA 0.562 56.373 55.803 0.013 0.000 0.876 131 Q CB 0.226 28.968 28.738 0.006 0.000 0.935 131 Q HN 0.269 nan 8.270 nan 0.000 0.455 132 L N -1.233 120.001 121.223 0.018 0.000 2.611 132 L HA 0.183 4.523 4.340 -0.001 0.000 0.229 132 L C 0.922 177.801 176.870 0.016 0.000 1.137 132 L CA 0.501 55.352 54.840 0.018 0.000 0.901 132 L CB 0.271 42.342 42.059 0.020 0.000 1.098 132 L HN 0.459 nan 8.230 nan 0.000 0.456 133 G N -0.330 108.480 108.800 0.016 0.000 2.179 133 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.220 133 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.220 133 G C 0.399 175.307 174.900 0.015 0.000 0.990 133 G CA -0.068 45.040 45.100 0.014 0.000 0.646 133 G HN 0.451 nan 8.290 nan 0.000 0.517 134 A N 0.166 122.998 122.820 0.020 0.000 2.407 134 A HA 0.690 5.010 4.320 -0.001 0.000 0.248 134 A C 0.596 178.193 177.584 0.022 0.000 1.082 134 A CA 1.096 53.147 52.037 0.022 0.000 0.785 134 A CB 0.457 19.476 19.000 0.032 0.000 1.020 134 A HN 0.731 nan 8.150 nan 0.000 0.489 135 T N 2.502 117.068 114.554 0.020 0.000 2.767 135 T HA 0.556 4.906 4.350 -0.001 0.000 0.284 135 T C -0.277 174.439 174.700 0.026 0.000 0.973 135 T CA 0.162 62.274 62.100 0.020 0.000 0.996 135 T CB 0.202 69.079 68.868 0.015 0.000 0.927 135 T HN 0.412 nan 8.240 nan 0.000 0.456 136 I N 4.090 124.677 120.570 0.028 0.000 2.466 136 I HA 0.489 4.659 4.170 -0.001 0.000 0.289 136 I C -0.164 175.972 176.117 0.032 0.000 1.026 136 I CA -1.005 60.315 61.300 0.034 0.000 1.078 136 I CB 1.932 39.956 38.000 0.039 0.000 1.249 136 I HN 0.585 nan 8.210 nan 0.000 0.429 137 K N 5.550 125.972 120.400 0.037 0.000 2.443 137 K HA 0.742 5.062 4.320 -0.001 0.000 0.251 137 K C -1.747 174.881 176.600 0.047 0.000 0.972 137 K CA -0.961 55.348 56.287 0.036 0.000 0.833 137 K CB 2.691 35.209 32.500 0.031 0.000 1.317 137 K HN 0.366 nan 8.250 nan 0.000 0.441 138 L N 2.200 123.449 121.223 0.043 0.000 2.294 138 L HA 0.376 4.716 4.340 -0.001 0.000 0.283 138 L C -1.375 175.529 176.870 0.055 0.000 1.015 138 L CA 0.176 55.047 54.840 0.051 0.000 0.831 138 L CB 0.888 42.966 42.059 0.032 0.000 1.217 138 L HN 0.846 nan 8.230 nan 0.000 0.420 139 E N 2.983 123.233 120.200 0.084 0.000 2.292 139 E HA 0.430 4.779 4.350 -0.001 0.000 0.272 139 E C -0.731 175.949 176.600 0.134 0.000 0.881 139 E CA -0.734 55.714 56.400 0.081 0.000 0.754 139 E CB 1.250 30.986 29.700 0.060 0.000 1.201 139 E HN 0.576 nan 8.360 nan 0.000 0.425 140 E N 1.050 121.309 120.200 0.098 0.000 2.722 140 E HA -0.304 4.045 4.350 -0.001 0.000 0.265 140 E C 0.693 177.364 176.600 0.118 0.000 1.081 140 E CA 0.626 57.099 56.400 0.121 0.000 0.781 140 E CB -1.690 28.116 29.700 0.178 0.000 1.372 140 E HN 1.167 nan 8.360 nan 0.000 0.423 141 G N -1.113 107.705 108.800 0.030 0.000 2.179 141 G HA2 -0.364 3.596 3.960 -0.001 0.000 0.260 141 G HA3 -0.364 3.596 3.960 -0.001 0.000 0.260 141 G C -0.185 174.601 174.900 -0.189 0.000 0.977 141 G CA 0.564 45.608 45.100 -0.094 0.000 0.641 141 G HN 0.334 nan 8.290 nan 0.000 0.533 142 Y N -0.473 119.841 120.300 0.023 0.000 2.330 142 Y HA 0.505 5.055 4.550 -0.001 0.000 0.336 142 Y C 0.697 176.610 175.900 0.022 0.000 1.036 142 Y CA -0.429 57.688 58.100 0.029 0.000 1.125 142 Y CB 2.051 40.530 38.460 0.032 0.000 1.194 142 Y HN 0.344 nan 8.280 nan 0.000 0.469 143 V N 5.189 125.186 119.914 0.139 0.000 2.405 143 V HA 0.305 4.425 4.120 -0.001 0.000 0.264 143 V C -0.647 175.519 176.094 0.121 0.000 1.048 143 V CA -0.507 61.851 62.300 0.098 0.000 0.966 143 V CB -0.072 31.781 31.823 0.050 0.000 1.015 143 V HN 0.704 nan 8.190 nan 0.000 0.477 144 K N 6.272 126.732 120.400 0.099 0.000 2.293 144 K HA 0.770 5.089 4.320 -0.001 0.000 0.267 144 K C -0.314 176.321 176.600 0.059 0.000 1.010 144 K CA -0.241 56.095 56.287 0.081 0.000 0.875 144 K CB 1.953 34.493 32.500 0.066 0.000 1.106 144 K HN 0.885 nan 8.250 nan 0.000 0.450 145 A N 1.859 124.713 122.820 0.057 0.000 2.355 145 A HA 0.763 5.083 4.320 -0.001 0.000 0.324 145 A C -0.676 176.926 177.584 0.029 0.000 1.117 145 A CA -0.632 51.432 52.037 0.046 0.000 0.785 145 A CB 1.226 20.261 19.000 0.058 0.000 1.254 145 A HN 0.697 nan 8.150 nan 0.000 0.453 146 S N -0.371 115.341 115.700 0.020 0.000 2.537 146 S HA 0.695 5.164 4.470 -0.001 0.000 0.271 146 S C -1.425 173.178 174.600 0.005 0.000 1.148 146 S CA -0.552 57.651 58.200 0.005 0.000 0.868 146 S CB 1.188 64.387 63.200 -0.001 0.000 1.115 146 S HN 2.053 nan 8.310 nan 0.000 0.461 147 V N 1.199 121.111 119.914 -0.003 0.000 2.777 147 V HA 0.523 4.643 4.120 -0.001 0.000 0.306 147 V C -1.708 174.381 176.094 -0.009 0.000 1.112 147 V CA -0.531 61.767 62.300 -0.002 0.000 0.917 147 V CB 1.960 33.784 31.823 0.002 0.000 1.018 147 V HN 1.104 nan 8.190 nan 0.000 0.426 148 D N 4.942 125.339 120.400 -0.006 0.000 2.359 148 D HA 0.562 5.201 4.640 -0.001 0.000 0.250 148 D C 0.690 176.984 176.300 -0.010 0.000 1.264 148 D CA 2.184 56.179 54.000 -0.008 0.000 0.911 148 D CB 0.611 41.408 40.800 -0.005 0.000 1.056 148 D HN 1.305 nan 8.370 nan 0.000 0.499 149 G N 4.234 113.025 108.800 -0.014 0.000 2.545 149 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.240 149 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.240 149 G C -0.334 174.553 174.900 -0.021 0.000 1.172 149 G CA -0.051 45.039 45.100 -0.017 0.000 0.949 149 G HN 0.726 nan 8.290 nan 0.000 0.574 150 R N -0.265 120.223 120.500 -0.019 0.000 2.902 150 R HA 0.802 5.141 4.340 -0.001 0.000 0.258 150 R C 0.153 176.447 176.300 -0.010 0.000 1.071 150 R CA -1.064 55.024 56.100 -0.020 0.000 1.024 150 R CB 1.182 31.466 30.300 -0.027 0.000 1.184 150 R HN 0.514 nan 8.270 nan 0.000 0.492 151 L N 0.893 122.112 121.223 -0.007 0.000 2.476 151 L HA 0.254 4.593 4.340 -0.001 0.000 0.264 151 L C 0.340 177.210 176.870 -0.001 0.000 1.224 151 L CA -0.027 54.814 54.840 0.001 0.000 0.821 151 L CB 0.194 42.257 42.059 0.007 0.000 1.101 151 L HN 0.436 nan 8.230 nan 0.000 0.488 152 K N 0.684 121.087 120.400 0.004 0.000 2.376 152 K HA 0.355 4.675 4.320 -0.001 0.000 0.257 152 K C -0.126 176.480 176.600 0.009 0.000 0.939 152 K CA -0.658 55.632 56.287 0.004 0.000 0.809 152 K CB 1.827 34.330 32.500 0.005 0.000 1.121 152 K HN 0.755 nan 8.250 nan 0.000 0.425 153 G N 1.386 110.191 108.800 0.008 0.000 2.368 153 G HA2 0.293 4.253 3.960 -0.001 0.000 0.233 153 G HA3 0.293 4.253 3.960 -0.001 0.000 0.233 153 G C -0.488 174.427 174.900 0.025 0.000 1.267 153 G CA -0.012 45.096 45.100 0.014 0.000 0.873 153 G HN 0.635 nan 8.290 nan 0.000 0.539 154 A N 1.541 124.384 122.820 0.039 0.000 2.609 154 A HA 0.644 4.963 4.320 -0.001 0.000 0.291 154 A C -0.772 176.878 177.584 0.110 0.000 1.096 154 A CA -0.706 51.367 52.037 0.060 0.000 0.684 154 A CB 1.140 20.165 19.000 0.042 0.000 1.282 154 A HN 0.922 nan 8.150 nan 0.000 0.412 155 H N 1.376 120.445 119.070 -0.002 0.000 2.761 155 H HA 0.540 5.096 4.556 -0.000 0.000 0.284 155 H C -1.067 174.260 175.328 -0.001 0.000 1.105 155 H CA -0.154 55.893 56.048 -0.002 0.000 1.352 155 H CB 0.156 29.917 29.762 -0.002 0.000 1.423 155 H HN 0.448 nan 8.280 nan 0.000 0.464 156 I N 6.408 126.896 120.570 -0.138 0.000 2.355 156 I HA 0.139 4.309 4.170 -0.001 0.000 0.288 156 I C -0.400 175.585 176.117 -0.219 0.000 0.999 156 I CA -0.909 60.302 61.300 -0.148 0.000 1.163 156 I CB 1.830 39.795 38.000 -0.058 0.000 1.316 156 I HN 0.261 nan 8.210 nan 0.000 0.454 157 V N 6.901 126.683 119.914 -0.220 0.000 2.350 157 V HA 0.348 4.467 4.120 -0.001 0.000 0.276 157 V C 0.471 176.507 176.094 -0.097 0.000 1.028 157 V CA -0.530 61.663 62.300 -0.179 0.000 0.860 157 V CB 1.370 33.082 31.823 -0.185 0.000 0.990 157 V HN 0.643 nan 8.190 nan 0.000 0.453 158 M N 3.052 122.608 119.600 -0.073 0.000 2.162 158 M HA 0.219 4.698 4.480 -0.001 0.000 0.356 158 M C 1.103 177.380 176.300 -0.038 0.000 1.303 158 M CA -0.134 55.136 55.300 -0.050 0.000 1.116 158 M CB 0.745 33.319 32.600 -0.043 0.000 1.632 158 M HN 0.626 nan 8.290 nan 0.000 0.469 159 D N 3.077 123.458 120.400 -0.031 0.000 2.104 159 D HA -0.089 4.551 4.640 -0.001 0.000 0.194 159 D C 0.284 176.572 176.300 -0.020 0.000 0.994 159 D CA 1.498 55.485 54.000 -0.022 0.000 0.830 159 D CB 0.567 41.358 40.800 -0.015 0.000 0.959 159 D HN 0.620 nan 8.370 nan 0.000 0.452 160 K N -1.051 119.337 120.400 -0.020 0.000 2.466 160 K HA 0.480 4.800 4.320 -0.001 0.000 0.260 160 K C -0.810 175.776 176.600 -0.023 0.000 1.011 160 K CA -0.890 55.385 56.287 -0.021 0.000 0.871 160 K CB 1.988 34.475 32.500 -0.020 0.000 1.404 160 K HN -0.338 nan 8.250 nan 0.000 0.450 161 V N 1.465 121.364 119.914 -0.025 0.000 2.470 161 V HA 0.207 4.327 4.120 -0.001 0.000 0.276 161 V C -0.275 175.805 176.094 -0.024 0.000 1.040 161 V CA 0.063 62.351 62.300 -0.021 0.000 1.008 161 V CB 0.793 32.605 31.823 -0.018 0.000 0.990 161 V HN 0.792 nan 8.190 nan 0.000 0.477 162 S N 4.033 119.724 115.700 -0.015 0.000 2.677 162 S HA 0.384 4.854 4.470 -0.001 0.000 0.283 162 S C 0.442 175.057 174.600 0.025 0.000 1.159 162 S CA -0.617 57.581 58.200 -0.003 0.000 1.001 162 S CB 1.904 65.096 63.200 -0.014 0.000 1.032 162 S HN 0.305 nan 8.310 nan 0.000 0.487 163 V N 5.301 125.253 119.914 0.064 0.000 2.295 163 V HA -0.014 4.106 4.120 -0.001 0.000 0.246 163 V C 2.690 178.916 176.094 0.220 0.000 1.049 163 V CA 2.583 64.959 62.300 0.126 0.000 1.024 163 V CB -1.266 30.650 31.823 0.154 0.000 0.648 163 V HN 0.954 nan 8.190 nan 0.000 0.447 164 G N -0.402 108.538 108.800 0.232 0.000 2.433 164 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.216 164 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.216 164 G C 1.765 176.739 174.900 0.124 0.000 1.186 164 G CA 1.100 46.423 45.100 0.372 0.000 0.779 164 G HN 0.612 nan 8.290 nan 0.000 0.543 165 A N 0.027 122.605 122.820 -0.404 0.000 1.930 165 A HA 0.030 4.350 4.320 -0.001 0.000 0.217 165 A C 2.511 179.985 177.584 -0.183 0.000 1.175 165 A CA 2.358 54.007 52.037 -0.647 0.000 0.627 165 A CB -0.930 17.771 19.000 -0.499 0.000 0.815 165 A HN 0.293 nan 8.150 nan 0.000 0.443 166 T N -0.291 114.223 114.554 -0.068 0.000 2.699 166 T HA -0.151 4.198 4.350 -0.001 0.000 0.268 166 T C 1.862 176.562 174.700 -0.000 0.000 1.036 166 T CA 1.736 63.824 62.100 -0.020 0.000 1.147 166 T CB -0.411 68.459 68.868 0.004 0.000 0.862 166 T HN 0.154 nan 8.240 nan 0.000 0.446 167 V N 1.128 121.073 119.914 0.051 0.000 2.307 167 V HA -0.176 3.943 4.120 -0.001 0.000 0.245 167 V C 2.787 178.876 176.094 -0.009 0.000 1.045 167 V CA 1.986 64.274 62.300 -0.021 0.000 1.024 167 V CB -1.045 30.698 31.823 -0.134 0.000 0.651 167 V HN 0.520 nan 8.190 nan 0.000 0.449 168 T N 0.449 115.084 114.554 0.135 0.000 2.635 168 T HA -0.208 4.141 4.350 -0.001 0.000 0.267 168 T C 1.771 176.511 174.700 0.067 0.000 1.040 168 T CA 2.186 64.386 62.100 0.167 0.000 1.156 168 T CB -0.316 68.702 68.868 0.250 0.000 0.863 168 T HN 0.352 nan 8.240 nan 0.000 0.430 169 I N 0.601 121.183 120.570 0.020 0.000 2.202 169 I HA -0.166 4.004 4.170 -0.001 0.000 0.242 169 I C 2.600 178.720 176.117 0.005 0.000 1.091 169 I CA 1.264 62.570 61.300 0.010 0.000 1.368 169 I CB -0.404 37.590 38.000 -0.010 0.000 1.058 169 I HN 0.250 nan 8.210 nan 0.000 0.410 170 M N 0.228 119.823 119.600 -0.008 0.000 2.082 170 M HA -0.288 4.192 4.480 -0.001 0.000 0.258 170 M C 2.483 178.773 176.300 -0.016 0.000 1.069 170 M CA 2.086 57.377 55.300 -0.015 0.000 1.102 170 M CB -0.237 32.347 32.600 -0.026 0.000 1.336 170 M HN 0.380 nan 8.290 nan 0.000 0.404 171 C N 0.312 119.601 119.300 -0.017 0.000 2.446 171 C HA -0.017 4.442 4.460 -0.001 0.000 0.277 171 C C 3.003 177.999 174.990 0.011 0.000 1.275 171 C CA 0.934 59.946 59.018 -0.009 0.000 1.727 171 C CB -1.551 26.181 27.740 -0.012 0.000 2.010 171 C HN 0.749 nan 8.230 nan 0.000 0.486 172 A N 0.581 123.416 122.820 0.026 0.000 1.933 172 A HA 0.079 4.398 4.320 -0.001 0.000 0.218 172 A C 2.327 179.919 177.584 0.014 0.000 1.175 172 A CA 1.940 53.996 52.037 0.032 0.000 0.628 172 A CB -0.779 18.249 19.000 0.046 0.000 0.814 172 A HN 0.580 nan 8.150 nan 0.000 0.444 173 A N -0.116 122.709 122.820 0.007 0.000 2.015 173 A HA -0.062 4.258 4.320 -0.001 0.000 0.219 173 A C 2.311 179.889 177.584 -0.009 0.000 1.163 173 A CA 2.185 54.223 52.037 0.001 0.000 0.646 173 A CB -1.364 17.637 19.000 0.002 0.000 0.806 173 A HN 0.812 nan 8.150 nan 0.000 0.448 174 T N -2.186 112.358 114.554 -0.015 0.000 2.977 174 T HA 0.006 4.356 4.350 -0.001 0.000 0.271 174 T C 1.055 175.736 174.700 -0.032 0.000 1.105 174 T CA 1.357 63.440 62.100 -0.028 0.000 1.116 174 T CB -0.352 68.493 68.868 -0.039 0.000 0.878 174 T HN 0.319 nan 8.240 nan 0.000 0.509 175 L N 0.435 121.642 121.223 -0.026 0.000 3.066 175 L HA 0.595 4.935 4.340 -0.001 0.000 0.265 175 L C 0.960 177.814 176.870 -0.027 0.000 1.232 175 L CA -0.650 54.169 54.840 -0.034 0.000 1.031 175 L CB -0.042 41.990 42.059 -0.045 0.000 1.379 175 L HN 0.280 nan 8.230 nan 0.000 0.563 176 A N -0.110 122.699 122.820 -0.018 0.000 2.256 176 A HA 0.466 4.786 4.320 -0.001 0.000 0.318 176 A C -0.064 177.511 177.584 -0.014 0.000 1.103 176 A CA -0.399 51.630 52.037 -0.013 0.000 0.860 176 A CB 0.560 19.557 19.000 -0.004 0.000 1.182 176 A HN 0.258 nan 8.150 nan 0.000 0.501 177 E N 0.129 120.323 120.200 -0.011 0.000 2.129 177 E HA 0.439 4.788 4.350 -0.001 0.000 0.283 177 E C 0.681 177.276 176.600 -0.007 0.000 1.080 177 E CA 0.961 57.354 56.400 -0.011 0.000 0.867 177 E CB 0.426 30.121 29.700 -0.009 0.000 1.056 177 E HN 1.235 nan 8.360 nan 0.000 0.404 178 G N 2.877 111.672 108.800 -0.009 0.000 2.545 178 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.216 178 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.216 178 G C -0.367 174.530 174.900 -0.006 0.000 1.314 178 G CA -0.657 44.439 45.100 -0.008 0.000 0.906 178 G HN 0.453 nan 8.290 nan 0.000 0.563 179 T N 1.419 115.971 114.554 -0.003 0.000 2.771 179 T HA 0.659 5.009 4.350 -0.001 0.000 0.281 179 T C 0.115 174.823 174.700 0.013 0.000 0.982 179 T CA 0.352 62.452 62.100 -0.000 0.000 0.978 179 T CB 1.387 70.251 68.868 -0.007 0.000 0.930 179 T HN 0.738 nan 8.240 nan 0.000 0.447 180 T N 4.104 118.668 114.554 0.018 0.000 2.829 180 T HA 0.613 4.963 4.350 -0.001 0.000 0.282 180 T C -0.099 174.632 174.700 0.052 0.000 0.990 180 T CA -0.482 61.640 62.100 0.036 0.000 1.028 180 T CB 0.550 69.432 68.868 0.024 0.000 0.951 180 T HN 0.409 nan 8.240 nan 0.000 0.460 181 I N 3.513 124.145 120.570 0.103 0.000 2.447 181 I HA 0.423 4.593 4.170 -0.001 0.000 0.287 181 I C -0.520 175.666 176.117 0.114 0.000 1.023 181 I CA -0.726 60.659 61.300 0.141 0.000 1.083 181 I CB 1.599 39.744 38.000 0.241 0.000 1.245 181 I HN 0.461 nan 8.210 nan 0.000 0.434 182 I N 6.098 126.699 120.570 0.051 0.000 2.307 182 I HA 0.267 4.436 4.170 -0.001 0.000 0.289 182 I C 0.037 176.154 176.117 -0.000 0.000 1.021 182 I CA -0.528 60.774 61.300 0.003 0.000 1.224 182 I CB 0.720 38.718 38.000 -0.003 0.000 1.376 182 I HN 0.457 nan 8.210 nan 0.000 0.470 183 E N 5.908 126.081 120.200 -0.045 0.000 2.231 183 E HA 0.167 4.517 4.350 -0.001 0.000 0.277 183 E C 0.107 176.686 176.600 -0.035 0.000 0.999 183 E CA -0.456 55.924 56.400 -0.033 0.000 0.827 183 E CB 1.535 31.189 29.700 -0.076 0.000 1.101 183 E HN 0.653 nan 8.360 nan 0.000 0.393 184 N N 0.415 119.106 118.700 -0.015 0.000 2.780 184 N HA -0.214 4.526 4.740 -0.001 0.000 0.248 184 N C -0.628 174.875 175.510 -0.011 0.000 1.102 184 N CA 0.189 53.231 53.050 -0.014 0.000 0.697 184 N CB -0.407 38.066 38.487 -0.023 0.000 1.028 184 N HN 0.557 nan 8.380 nan 0.000 0.554 185 A N 0.368 123.185 122.820 -0.005 0.000 2.406 185 A HA 0.620 4.940 4.320 -0.001 0.000 0.243 185 A C 0.855 178.444 177.584 0.009 0.000 1.082 185 A CA 0.433 52.470 52.037 -0.001 0.000 0.786 185 A CB 0.551 19.553 19.000 0.003 0.000 1.029 185 A HN 0.590 nan 8.150 nan 0.000 0.495 186 A N 0.834 123.662 122.820 0.013 0.000 2.425 186 A HA 0.477 4.797 4.320 -0.001 0.000 0.249 186 A C 0.752 178.360 177.584 0.040 0.000 1.084 186 A CA -0.238 51.816 52.037 0.029 0.000 0.781 186 A CB 0.014 19.034 19.000 0.033 0.000 1.019 186 A HN 0.772 nan 8.150 nan 0.000 0.490 187 R N 0.582 121.123 120.500 0.069 0.000 2.393 187 R HA 0.163 4.502 4.340 -0.001 0.000 0.244 187 R C -0.436 175.928 176.300 0.106 0.000 0.920 187 R CA -0.098 56.060 56.100 0.097 0.000 1.076 187 R CB 0.102 30.477 30.300 0.125 0.000 1.119 187 R HN 0.770 nan 8.270 nan 0.000 0.524 188 E N 1.238 121.457 120.200 0.031 0.000 2.568 188 E HA -0.062 4.288 4.350 -0.001 0.000 0.262 188 E C -1.590 174.902 176.600 -0.181 0.000 0.961 188 E CA -1.001 55.311 56.400 -0.146 0.000 0.945 188 E CB 0.418 30.076 29.700 -0.071 0.000 0.924 188 E HN -0.056 nan 8.360 nan 0.000 0.467 189 P HA -0.185 nan 4.420 nan 0.000 0.216 189 P C 0.347 177.594 177.300 -0.087 0.000 1.150 189 P CA 1.261 64.252 63.100 -0.183 0.000 0.843 189 P CB 0.278 31.847 31.700 -0.217 0.000 0.787 190 E N -1.037 119.112 120.200 -0.085 0.000 2.268 190 E HA -0.098 4.252 4.350 -0.001 0.000 0.195 190 E C 1.927 178.501 176.600 -0.044 0.000 0.995 190 E CA 0.725 57.099 56.400 -0.043 0.000 0.836 190 E CB -0.771 28.916 29.700 -0.021 0.000 0.763 190 E HN 0.301 nan 8.360 nan 0.000 0.491 191 I N -0.245 120.302 120.570 -0.039 0.000 2.439 191 I HA -0.187 3.982 4.170 -0.001 0.000 0.251 191 I C 1.868 177.967 176.117 -0.030 0.000 1.139 191 I CA 0.476 61.754 61.300 -0.037 0.000 1.438 191 I CB -0.033 37.959 38.000 -0.014 0.000 1.085 191 I HN 0.027 nan 8.210 nan 0.000 0.427 192 V N 0.760 120.665 119.914 -0.016 0.000 2.295 192 V HA -0.318 3.802 4.120 -0.001 0.000 0.246 192 V C 2.143 178.248 176.094 0.020 0.000 1.049 192 V CA 2.208 64.510 62.300 0.004 0.000 1.024 192 V CB -0.570 31.262 31.823 0.014 0.000 0.648 192 V HN 0.377 nan 8.190 nan 0.000 0.447 193 D N -0.242 120.176 120.400 0.031 0.000 2.123 193 D HA -0.153 4.486 4.640 -0.001 0.000 0.196 193 D C 2.266 178.552 176.300 -0.024 0.000 0.992 193 D CA 1.826 55.879 54.000 0.087 0.000 0.833 193 D CB -0.153 40.709 40.800 0.103 0.000 0.954 193 D HN 0.400 nan 8.370 nan 0.000 0.455 194 T N -0.410 114.106 114.554 -0.063 0.000 2.746 194 T HA -0.108 4.242 4.350 -0.001 0.000 0.267 194 T C 1.910 176.577 174.700 -0.055 0.000 1.039 194 T CA 1.394 63.439 62.100 -0.093 0.000 1.142 194 T CB -0.391 68.394 68.868 -0.138 0.000 0.866 194 T HN 0.215 nan 8.240 nan 0.000 0.444 195 A N 2.351 125.140 122.820 -0.051 0.000 1.902 195 A HA -0.134 4.186 4.320 -0.001 0.000 0.217 195 A C 2.233 179.778 177.584 -0.065 0.000 1.181 195 A CA 1.441 53.450 52.037 -0.047 0.000 0.623 195 A CB -0.587 18.396 19.000 -0.028 0.000 0.818 195 A HN 0.368 nan 8.150 nan 0.000 0.443 196 N N -0.980 117.689 118.700 -0.052 0.000 2.244 196 N HA -0.114 4.625 4.740 -0.001 0.000 0.183 196 N C 1.339 176.710 175.510 -0.231 0.000 1.016 196 N CA 1.364 54.393 53.050 -0.034 0.000 0.866 196 N CB -0.586 37.992 38.487 0.150 0.000 0.980 196 N HN 0.581 nan 8.380 nan 0.000 0.430 197 F N 1.544 121.050 119.950 -0.739 0.000 2.113 197 F HA -0.006 4.521 4.527 -0.000 0.000 0.297 197 F C 1.975 177.560 175.800 -0.358 0.000 1.103 197 F CA 0.967 58.438 58.000 -0.882 0.000 1.248 197 F CB -0.386 38.075 39.000 -0.899 0.000 0.999 197 F HN -0.081 nan 8.300 nan 0.000 0.475 198 L N 0.104 121.121 121.223 -0.344 0.000 2.012 198 L HA -0.256 4.084 4.340 -0.001 0.000 0.210 198 L C 2.548 179.246 176.870 -0.287 0.000 1.073 198 L CA 1.629 56.266 54.840 -0.338 0.000 0.748 198 L CB -0.728 41.249 42.059 -0.136 0.000 0.891 198 L HN 0.208 nan 8.230 nan 0.000 0.431 199 I N -0.641 119.814 120.570 -0.191 0.000 2.286 199 I HA -0.295 3.875 4.170 -0.001 0.000 0.248 199 I C 2.440 178.475 176.117 -0.138 0.000 1.115 199 I CA 1.449 62.673 61.300 -0.126 0.000 1.392 199 I CB -0.409 37.552 38.000 -0.065 0.000 1.065 199 I HN 0.257 nan 8.210 nan 0.000 0.418 200 T N 1.117 115.567 114.554 -0.174 0.000 2.803 200 T HA -0.113 4.237 4.350 -0.001 0.000 0.269 200 T C 1.722 176.307 174.700 -0.191 0.000 1.052 200 T CA 1.124 63.144 62.100 -0.133 0.000 1.136 200 T CB -0.181 68.647 68.868 -0.065 0.000 0.864 200 T HN 0.290 nan 8.240 nan 0.000 0.467 201 L N -0.087 120.946 121.223 -0.316 0.000 2.554 201 L HA 0.258 4.598 4.340 -0.001 0.000 0.226 201 L C 1.854 178.625 176.870 -0.165 0.000 1.137 201 L CA 0.468 55.143 54.840 -0.274 0.000 0.863 201 L CB -0.130 41.693 42.059 -0.394 0.000 0.985 201 L HN 0.485 nan 8.230 nan 0.000 0.451 202 G N -0.418 108.298 108.800 -0.140 0.000 2.159 202 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.170 202 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.170 202 G C 0.265 175.112 174.900 -0.087 0.000 1.007 202 G CA -0.186 44.857 45.100 -0.094 0.000 0.672 202 G HN 0.406 nan 8.290 nan 0.000 0.507 203 A N -0.053 122.703 122.820 -0.107 0.000 2.313 203 A HA 0.738 5.058 4.320 -0.001 0.000 0.261 203 A C 0.418 177.963 177.584 -0.064 0.000 1.090 203 A CA 0.076 52.063 52.037 -0.085 0.000 0.807 203 A CB 0.503 19.444 19.000 -0.098 0.000 1.055 203 A HN 0.346 nan 8.150 nan 0.000 0.492 204 K N 1.088 121.460 120.400 -0.048 0.000 2.464 204 K HA 0.560 4.879 4.320 -0.001 0.000 0.252 204 K C -1.503 175.079 176.600 -0.029 0.000 1.000 204 K CA 0.319 56.585 56.287 -0.035 0.000 0.951 204 K CB 1.015 33.498 32.500 -0.028 0.000 1.183 204 K HN 0.572 nan 8.250 nan 0.000 0.445 205 I N 1.646 122.200 120.570 -0.028 0.000 2.545 205 I HA 0.295 4.465 4.170 -0.001 0.000 0.292 205 I C -0.358 175.752 176.117 -0.012 0.000 1.040 205 I CA -0.661 60.627 61.300 -0.021 0.000 1.068 205 I CB 2.277 40.261 38.000 -0.027 0.000 1.251 205 I HN 0.523 nan 8.210 nan 0.000 0.424 206 S N 2.534 118.230 115.700 -0.006 0.000 2.546 206 S HA 0.824 5.293 4.470 -0.001 0.000 0.274 206 S C 0.189 174.791 174.600 0.004 0.000 1.121 206 S CA -0.005 58.195 58.200 -0.001 0.000 0.887 206 S CB 2.053 65.253 63.200 -0.001 0.000 1.094 206 S HN 1.297 nan 8.310 nan 0.000 0.474 207 G N 1.008 109.812 108.800 0.007 0.000 2.176 207 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.232 207 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.232 207 G C 0.080 174.988 174.900 0.013 0.000 0.986 207 G CA 0.015 45.122 45.100 0.011 0.000 0.643 207 G HN 1.254 nan 8.290 nan 0.000 0.522 208 Q N 0.394 120.200 119.800 0.011 0.000 2.286 208 Q HA 0.387 4.727 4.340 -0.001 0.000 0.290 208 Q C 1.186 177.198 176.000 0.021 0.000 1.049 208 Q CA 1.071 56.881 55.803 0.012 0.000 0.923 208 Q CB 0.847 29.589 28.738 0.006 0.000 1.183 208 Q HN 1.839 nan 8.270 nan 0.000 0.383 209 G N 2.194 111.010 108.800 0.028 0.000 2.194 209 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.236 209 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.236 209 G C 0.238 175.165 174.900 0.046 0.000 0.987 209 G CA 0.400 45.528 45.100 0.046 0.000 0.635 209 G HN 1.175 nan 8.290 nan 0.000 0.520 210 T N -1.855 112.718 114.554 0.031 0.000 2.938 210 T HA 0.557 4.906 4.350 -0.001 0.000 0.285 210 T C 1.048 175.762 174.700 0.023 0.000 1.028 210 T CA 0.660 62.776 62.100 0.026 0.000 1.005 210 T CB 1.729 70.609 68.868 0.019 0.000 1.157 210 T HN 0.203 nan 8.240 nan 0.000 0.550 211 D N -0.715 119.696 120.400 0.018 0.000 2.371 211 D HA -0.037 4.603 4.640 -0.001 0.000 0.221 211 D C 0.765 177.075 176.300 0.016 0.000 0.986 211 D CA 0.432 54.441 54.000 0.015 0.000 0.899 211 D CB -0.088 40.718 40.800 0.011 0.000 0.902 211 D HN 0.605 nan 8.370 nan 0.000 0.530 212 R N 0.468 120.980 120.500 0.020 0.000 2.435 212 R HA 0.489 4.828 4.340 -0.001 0.000 0.308 212 R C -1.206 175.108 176.300 0.023 0.000 0.975 212 R CA -0.563 55.553 56.100 0.027 0.000 0.867 212 R CB 0.616 30.938 30.300 0.036 0.000 1.171 212 R HN -0.016 nan 8.270 nan 0.000 0.470 213 I N 4.903 125.486 120.570 0.022 0.000 2.354 213 I HA 0.330 4.500 4.170 -0.001 0.000 0.292 213 I C -0.487 175.643 176.117 0.021 0.000 0.989 213 I CA -1.201 60.109 61.300 0.016 0.000 1.188 213 I CB 2.008 40.013 38.000 0.008 0.000 1.342 213 I HN 0.277 nan 8.210 nan 0.000 0.457 214 V N 7.575 127.497 119.914 0.014 0.000 2.384 214 V HA 0.429 4.549 4.120 -0.001 0.000 0.287 214 V C -0.214 175.882 176.094 0.003 0.000 1.020 214 V CA -0.440 61.867 62.300 0.013 0.000 0.850 214 V CB 1.679 33.507 31.823 0.008 0.000 0.987 214 V HN 0.433 nan 8.190 nan 0.000 0.436 215 I N 4.000 124.572 120.570 0.003 0.000 2.389 215 I HA 0.430 4.600 4.170 -0.001 0.000 0.288 215 I C -0.094 176.019 176.117 -0.007 0.000 0.999 215 I CA -0.415 60.881 61.300 -0.006 0.000 1.129 215 I CB 1.836 39.832 38.000 -0.007 0.000 1.288 215 I HN 0.619 nan 8.210 nan 0.000 0.444 216 E N 4.758 124.950 120.200 -0.014 0.000 2.081 216 E HA 0.538 4.888 4.350 -0.001 0.000 0.276 216 E C 0.257 176.845 176.600 -0.020 0.000 0.950 216 E CA -0.485 55.906 56.400 -0.015 0.000 0.776 216 E CB 0.950 30.640 29.700 -0.017 0.000 1.094 216 E HN 0.760 nan 8.360 nan 0.000 0.402 217 G N 2.954 111.743 108.800 -0.018 0.000 2.353 217 G HA2 0.326 4.286 3.960 -0.001 0.000 0.239 217 G HA3 0.326 4.286 3.960 -0.001 0.000 0.239 217 G C -0.032 174.852 174.900 -0.026 0.000 1.295 217 G CA 0.187 45.274 45.100 -0.022 0.000 0.884 217 G HN 0.582 nan 8.290 nan 0.000 0.537 218 V N -0.133 119.762 119.914 -0.033 0.000 3.113 218 V HA 0.692 4.812 4.120 -0.001 0.000 0.316 218 V C 0.900 176.970 176.094 -0.039 0.000 1.125 218 V CA -0.146 62.133 62.300 -0.035 0.000 1.026 218 V CB 2.084 33.882 31.823 -0.041 0.000 1.080 218 V HN 0.889 nan 8.190 nan 0.000 0.444 219 E N 1.308 121.484 120.200 -0.039 0.000 2.340 219 E HA 0.186 4.535 4.350 -0.001 0.000 0.194 219 E C 0.608 177.176 176.600 -0.053 0.000 0.996 219 E CA 0.036 56.410 56.400 -0.042 0.000 0.869 219 E CB 0.328 30.007 29.700 -0.036 0.000 0.835 219 E HN 0.820 nan 8.360 nan 0.000 0.493 220 R N 0.057 120.525 120.500 -0.053 0.000 2.664 220 R HA 0.438 4.778 4.340 -0.001 0.000 0.266 220 R C -1.809 174.454 176.300 -0.061 0.000 1.046 220 R CA -0.827 55.237 56.100 -0.061 0.000 0.885 220 R CB 0.838 31.105 30.300 -0.056 0.000 1.254 220 R HN 0.020 nan 8.270 nan 0.000 0.465 221 L N 1.363 122.546 121.223 -0.067 0.000 2.334 221 L HA 0.636 4.975 4.340 -0.001 0.000 0.276 221 L C 0.777 177.608 176.870 -0.066 0.000 1.014 221 L CA -0.578 54.215 54.840 -0.077 0.000 0.815 221 L CB 2.142 44.145 42.059 -0.093 0.000 1.268 221 L HN 0.984 nan 8.230 nan 0.000 0.428 222 G N 0.606 109.361 108.800 -0.074 0.000 2.882 222 G HA2 0.665 4.624 3.960 -0.001 0.000 0.164 222 G HA3 0.665 4.624 3.960 -0.001 0.000 0.164 222 G C -0.147 174.722 174.900 -0.051 0.000 1.429 222 G CA 0.138 45.207 45.100 -0.052 0.000 1.059 222 G HN 0.741 nan 8.290 nan 0.000 0.581 223 G N -2.872 105.908 108.800 -0.034 0.000 3.209 223 G HA2 0.746 4.705 3.960 -0.001 0.000 0.236 223 G HA3 0.746 4.705 3.960 -0.001 0.000 0.236 223 G C -0.203 174.689 174.900 -0.014 0.000 1.329 223 G CA 0.030 45.125 45.100 -0.009 0.000 1.015 223 G HN 1.848 nan 8.290 nan 0.000 0.571 224 G N -2.758 106.066 108.800 0.040 0.000 2.352 224 G HA2 0.484 4.444 3.960 -0.001 0.000 0.283 224 G HA3 0.484 4.444 3.960 -0.001 0.000 0.283 224 G C -2.018 172.955 174.900 0.122 0.000 1.308 224 G CA 0.088 45.222 45.100 0.057 0.000 0.892 224 G HN 1.333 nan 8.290 nan 0.000 0.504 225 V N 0.368 120.364 119.914 0.137 0.000 2.588 225 V HA 0.757 4.877 4.120 -0.001 0.000 0.304 225 V C -1.288 174.950 176.094 0.240 0.000 1.042 225 V CA -0.574 61.823 62.300 0.162 0.000 0.877 225 V CB 1.649 33.530 31.823 0.096 0.000 0.996 225 V HN 0.978 nan 8.190 nan 0.000 0.425 226 Y N 4.021 124.390 120.300 0.114 0.000 2.470 226 Y HA 0.608 5.158 4.550 -0.000 0.000 0.341 226 Y C -0.322 175.603 175.900 0.042 0.000 1.021 226 Y CA -0.796 57.378 58.100 0.123 0.000 1.025 226 Y CB 1.726 40.370 38.460 0.308 0.000 1.266 226 Y HN 0.617 nan 8.280 nan 0.000 0.448 227 R N 5.069 125.264 120.500 -0.507 0.000 2.338 227 R HA 0.635 4.975 4.340 -0.001 0.000 0.317 227 R C -1.544 174.563 176.300 -0.323 0.000 0.968 227 R CA -0.584 55.330 56.100 -0.310 0.000 0.849 227 R CB 1.045 31.196 30.300 -0.248 0.000 1.128 227 R HN 0.602 nan 8.270 nan 0.000 0.448 228 V N 6.492 126.364 119.914 -0.070 0.000 2.637 228 V HA 0.066 4.186 4.120 -0.001 0.000 0.296 228 V C 0.968 177.051 176.094 -0.019 0.000 1.046 228 V CA -0.325 61.987 62.300 0.021 0.000 1.066 228 V CB 0.864 32.695 31.823 0.013 0.000 0.968 228 V HN 0.696 nan 8.190 nan 0.000 0.483 229 L N 5.274 126.505 121.223 0.014 0.000 2.474 229 L HA 0.499 4.839 4.340 -0.001 0.000 0.259 229 L C -2.354 174.514 176.870 -0.002 0.000 1.232 229 L CA -1.443 53.396 54.840 -0.003 0.000 0.821 229 L CB -0.188 41.878 42.059 0.012 0.000 1.108 229 L HN 0.349 nan 8.230 nan 0.000 0.495 230 P HA 0.058 nan 4.420 nan 0.000 0.272 230 P C -1.237 176.070 177.300 0.012 0.000 1.223 230 P CA -0.112 62.995 63.100 0.012 0.000 0.784 230 P CB 0.405 32.117 31.700 0.019 0.000 0.923 231 D N 2.265 122.679 120.400 0.023 0.000 2.352 231 D HA 0.006 4.646 4.640 -0.001 0.000 0.245 231 D C 1.333 177.651 176.300 0.030 0.000 1.224 231 D CA -0.105 53.905 54.000 0.016 0.000 0.879 231 D CB 0.599 41.409 40.800 0.016 0.000 1.057 231 D HN 0.337 nan 8.370 nan 0.000 0.491 232 R N 3.779 124.283 120.500 0.007 0.000 2.148 232 R HA -0.103 4.237 4.340 -0.001 0.000 0.227 232 R C 1.394 177.706 176.300 0.020 0.000 1.103 232 R CA 0.508 56.616 56.100 0.012 0.000 0.983 232 R CB -0.096 30.195 30.300 -0.015 0.000 0.874 232 R HN 0.346 nan 8.270 nan 0.000 0.451 233 I N 1.815 122.388 120.570 0.004 0.000 2.286 233 I HA -0.124 4.045 4.170 -0.001 0.000 0.245 233 I C 2.505 178.667 176.117 0.075 0.000 1.104 233 I CA 1.180 62.486 61.300 0.010 0.000 1.397 233 I CB -1.192 36.787 38.000 -0.035 0.000 1.072 233 I HN 0.332 nan 8.210 nan 0.000 0.417 234 E N 0.907 121.165 120.200 0.097 0.000 2.077 234 E HA -0.201 4.149 4.350 -0.001 0.000 0.193 234 E C 2.049 178.797 176.600 0.247 0.000 0.989 234 E CA 2.047 58.577 56.400 0.218 0.000 0.800 234 E CB 0.168 30.032 29.700 0.274 0.000 0.746 234 E HN 0.401 nan 8.360 nan 0.000 0.452 235 T N -0.237 114.438 114.554 0.202 0.000 2.684 235 T HA -0.159 4.190 4.350 -0.001 0.000 0.267 235 T C 1.746 176.548 174.700 0.170 0.000 1.036 235 T CA 1.311 63.532 62.100 0.203 0.000 1.148 235 T CB -0.690 68.254 68.868 0.126 0.000 0.863 235 T HN 0.403 nan 8.240 nan 0.000 0.436 236 G N 0.974 109.840 108.800 0.111 0.000 2.422 236 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.218 236 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.218 236 G C 1.705 176.644 174.900 0.065 0.000 1.146 236 G CA 1.411 46.572 45.100 0.101 0.000 0.769 236 G HN 0.472 nan 8.290 nan 0.000 0.547 237 T N 0.862 115.417 114.554 0.003 0.000 2.821 237 T HA -0.042 4.308 4.350 -0.001 0.000 0.267 237 T C 1.982 176.549 174.700 -0.221 0.000 1.046 237 T CA 0.915 62.920 62.100 -0.158 0.000 1.139 237 T CB -0.253 68.445 68.868 -0.282 0.000 0.871 237 T HN 0.223 nan 8.240 nan 0.000 0.454 238 F N 0.790 120.749 119.950 0.014 0.000 2.270 238 F HA 0.277 4.803 4.527 -0.001 0.000 0.295 238 F C 2.033 177.826 175.800 -0.012 0.000 1.087 238 F CA 0.070 58.065 58.000 -0.008 0.000 1.365 238 F CB -0.708 38.297 39.000 0.008 0.000 1.056 238 F HN 0.047 nan 8.300 nan 0.000 0.506 239 L N -0.767 120.562 121.223 0.176 0.000 2.042 239 L HA -0.234 4.106 4.340 -0.001 0.000 0.210 239 L C 2.336 179.217 176.870 0.019 0.000 1.076 239 L CA 0.858 55.755 54.840 0.096 0.000 0.749 239 L CB -0.857 41.262 42.059 0.101 0.000 0.893 239 L HN -0.032 nan 8.230 nan 0.000 0.432 240 V N -0.190 119.701 119.914 -0.038 0.000 2.427 240 V HA -0.242 3.878 4.120 -0.001 0.000 0.248 240 V C 2.723 178.754 176.094 -0.104 0.000 1.051 240 V CA 1.566 63.776 62.300 -0.150 0.000 1.048 240 V CB -0.674 30.997 31.823 -0.255 0.000 0.666 240 V HN 0.474 nan 8.190 nan 0.000 0.456 241 A N 0.126 122.913 122.820 -0.055 0.000 1.908 241 A HA -0.197 4.123 4.320 -0.001 0.000 0.218 241 A C 2.416 179.994 177.584 -0.010 0.000 1.181 241 A CA 2.339 54.359 52.037 -0.029 0.000 0.627 241 A CB -0.745 18.279 19.000 0.041 0.000 0.818 241 A HN 0.572 nan 8.150 nan 0.000 0.445 242 A N -0.306 122.521 122.820 0.011 0.000 1.873 242 A HA 0.226 4.545 4.320 -0.001 0.000 0.215 242 A C 2.522 180.090 177.584 -0.026 0.000 1.186 242 A CA 1.967 54.003 52.037 -0.001 0.000 0.616 242 A CB -1.117 17.890 19.000 0.010 0.000 0.823 242 A HN 1.146 nan 8.150 nan 0.000 0.442 243 A N 0.448 123.245 122.820 -0.039 0.000 2.024 243 A HA -0.104 4.215 4.320 -0.001 0.000 0.220 243 A C 2.059 179.610 177.584 -0.056 0.000 1.164 243 A CA 1.619 53.625 52.037 -0.051 0.000 0.643 243 A CB -0.827 18.130 19.000 -0.072 0.000 0.806 243 A HN 0.997 nan 8.150 nan 0.000 0.451 244 I N -2.937 117.594 120.570 -0.065 0.000 3.228 244 I HA 0.045 4.215 4.170 -0.001 0.000 0.279 244 I C 1.700 177.794 176.117 -0.039 0.000 1.221 244 I CA 1.260 62.525 61.300 -0.059 0.000 1.458 244 I CB -0.009 37.947 38.000 -0.074 0.000 1.105 244 I HN 0.226 nan 8.210 nan 0.000 0.445 245 S N 0.734 116.414 115.700 -0.034 0.000 2.577 245 S HA 0.287 4.757 4.470 -0.001 0.000 0.219 245 S C 0.879 175.467 174.600 -0.019 0.000 0.962 245 S CA -0.543 57.642 58.200 -0.025 0.000 0.921 245 S CB -0.302 62.884 63.200 -0.023 0.000 0.789 245 S HN 0.561 nan 8.310 nan 0.000 0.497 246 R N 0.160 120.647 120.500 -0.020 0.000 3.525 246 R HA -0.126 4.213 4.340 -0.001 0.000 0.276 246 R C 0.675 176.963 176.300 -0.020 0.000 1.116 246 R CA 0.389 56.480 56.100 -0.015 0.000 0.745 246 R CB -2.365 27.932 30.300 -0.005 0.000 1.185 246 R HN 0.632 nan 8.270 nan 0.000 0.454 247 G N 0.658 109.442 108.800 -0.027 0.000 2.857 247 G HA2 0.657 4.617 3.960 -0.001 0.000 0.217 247 G HA3 0.657 4.617 3.960 -0.001 0.000 0.217 247 G C -0.567 174.305 174.900 -0.046 0.000 1.357 247 G CA -0.395 44.687 45.100 -0.030 0.000 1.033 247 G HN 0.165 nan 8.290 nan 0.000 0.571 248 K N -1.635 118.740 120.400 -0.041 0.000 2.542 248 K HA 0.721 5.041 4.320 -0.001 0.000 0.259 248 K C -1.800 174.782 176.600 -0.031 0.000 0.932 248 K CA -0.792 55.465 56.287 -0.050 0.000 0.820 248 K CB 2.419 34.877 32.500 -0.070 0.000 1.345 248 K HN 0.511 nan 8.250 nan 0.000 0.432 249 I N 2.749 123.309 120.570 -0.017 0.000 2.827 249 I HA 0.457 4.627 4.170 -0.001 0.000 0.298 249 I C -1.622 174.503 176.117 0.013 0.000 1.235 249 I CA -1.314 59.982 61.300 -0.006 0.000 1.021 249 I CB 1.899 39.907 38.000 0.013 0.000 1.259 249 I HN 0.671 nan 8.210 nan 0.000 0.427 250 I N 5.441 126.009 120.570 -0.003 0.000 2.433 250 I HA 0.342 4.512 4.170 -0.001 0.000 0.292 250 I C -0.670 175.467 176.117 0.033 0.000 1.001 250 I CA -0.556 60.762 61.300 0.029 0.000 1.119 250 I CB 1.348 39.321 38.000 -0.045 0.000 1.289 250 I HN 0.476 nan 8.210 nan 0.000 0.438 251 C N 6.229 125.590 119.300 0.102 0.000 2.273 251 C HA 0.537 4.997 4.460 -0.001 0.000 0.328 251 C C 0.612 175.675 174.990 0.121 0.000 1.275 251 C CA -0.741 58.326 59.018 0.080 0.000 1.704 251 C CB 0.582 28.386 27.740 0.106 0.000 2.326 251 C HN 0.610 nan 8.230 nan 0.000 0.517 252 R N 2.652 123.190 120.500 0.064 0.000 2.598 252 R HA 0.335 4.674 4.340 -0.001 0.000 0.279 252 R C 0.031 176.371 176.300 0.066 0.000 0.984 252 R CA -0.445 55.703 56.100 0.080 0.000 0.999 252 R CB 0.533 30.847 30.300 0.024 0.000 1.114 252 R HN 0.800 nan 8.270 nan 0.000 0.493 253 N N -0.891 117.855 118.700 0.077 0.000 2.756 253 N HA -0.181 4.559 4.740 -0.001 0.000 0.248 253 N C -1.115 174.426 175.510 0.051 0.000 1.062 253 N CA 1.090 54.171 53.050 0.052 0.000 0.696 253 N CB -0.977 37.528 38.487 0.029 0.000 0.946 253 N HN 0.752 nan 8.380 nan 0.000 0.548 254 A N -0.080 122.778 122.820 0.063 0.000 2.288 254 A HA 0.733 5.053 4.320 -0.001 0.000 0.328 254 A C 0.202 177.795 177.584 0.015 0.000 1.123 254 A CA -0.464 51.601 52.037 0.046 0.000 0.861 254 A CB 1.281 20.318 19.000 0.062 0.000 1.272 254 A HN 0.227 nan 8.150 nan 0.000 0.490 255 Q N 0.588 120.391 119.800 0.005 0.000 2.771 255 Q HA 0.330 4.669 4.340 -0.001 0.000 0.247 255 Q C -2.281 173.708 176.000 -0.018 0.000 0.986 255 Q CA -1.775 54.021 55.803 -0.012 0.000 0.713 255 Q CB 1.237 29.971 28.738 -0.006 0.000 1.241 255 Q HN 0.422 nan 8.270 nan 0.000 0.488 256 P HA -0.192 nan 4.420 nan 0.000 0.216 256 P C 0.547 177.833 177.300 -0.024 0.000 1.150 256 P CA 1.474 64.545 63.100 -0.049 0.000 0.843 256 P CB 0.170 31.803 31.700 -0.112 0.000 0.787 257 D N -2.165 118.223 120.400 -0.020 0.000 2.384 257 D HA -0.102 4.538 4.640 -0.001 0.000 0.222 257 D C 1.247 177.573 176.300 0.043 0.000 0.976 257 D CA 1.144 55.146 54.000 0.003 0.000 0.915 257 D CB -1.431 39.370 40.800 0.002 0.000 0.896 257 D HN 0.068 nan 8.370 nan 0.000 0.523 258 T N -0.549 114.029 114.554 0.040 0.000 3.081 258 T HA 0.240 4.589 4.350 -0.001 0.000 0.250 258 T C 1.073 175.830 174.700 0.096 0.000 1.100 258 T CA 0.045 62.186 62.100 0.068 0.000 1.038 258 T CB 0.084 68.960 68.868 0.012 0.000 0.962 258 T HN 0.154 nan 8.240 nan 0.000 0.516 259 L N 0.419 121.674 121.223 0.054 0.000 3.289 259 L HA 0.283 4.623 4.340 -0.001 0.000 0.291 259 L C 0.925 177.806 176.870 0.017 0.000 1.279 259 L CA -0.198 54.661 54.840 0.032 0.000 1.025 259 L CB 0.591 42.665 42.059 0.025 0.000 1.413 259 L HN -0.038 nan 8.230 nan 0.000 0.593 260 D N 1.536 121.944 120.400 0.014 0.000 2.103 260 D HA -0.234 4.406 4.640 -0.001 0.000 0.190 260 D C 2.154 178.455 176.300 0.001 0.000 0.997 260 D CA 1.857 55.855 54.000 -0.003 0.000 0.833 260 D CB 0.172 40.959 40.800 -0.022 0.000 0.961 260 D HN 0.388 nan 8.370 nan 0.000 0.447 261 A N 0.669 123.480 122.820 -0.014 0.000 1.883 261 A HA -0.160 4.160 4.320 -0.001 0.000 0.217 261 A C 2.617 180.231 177.584 0.049 0.000 1.186 261 A CA 1.569 53.615 52.037 0.015 0.000 0.624 261 A CB -0.860 18.152 19.000 0.020 0.000 0.822 261 A HN 0.162 nan 8.150 nan 0.000 0.444 262 V N 0.191 120.097 119.914 -0.014 0.000 2.295 262 V HA -0.265 3.855 4.120 -0.001 0.000 0.246 262 V C 2.577 178.760 176.094 0.148 0.000 1.049 262 V CA 2.013 64.325 62.300 0.019 0.000 1.024 262 V CB -0.724 31.077 31.823 -0.035 0.000 0.648 262 V HN 0.576 nan 8.190 nan 0.000 0.447 263 L N -0.087 121.194 121.223 0.097 0.000 2.093 263 L HA -0.135 4.204 4.340 -0.001 0.000 0.208 263 L C 2.740 179.668 176.870 0.096 0.000 1.085 263 L CA 1.497 56.397 54.840 0.100 0.000 0.755 263 L CB -0.869 41.222 42.059 0.055 0.000 0.904 263 L HN 0.369 nan 8.230 nan 0.000 0.435 264 A N 0.037 122.899 122.820 0.070 0.000 1.902 264 A HA -0.238 4.082 4.320 -0.001 0.000 0.217 264 A C 2.299 179.928 177.584 0.074 0.000 1.181 264 A CA 1.817 53.887 52.037 0.055 0.000 0.623 264 A CB -0.339 18.679 19.000 0.030 0.000 0.818 264 A HN 0.168 nan 8.150 nan 0.000 0.443 265 K N -0.273 120.186 120.400 0.097 0.000 2.097 265 K HA 0.102 4.421 4.320 -0.001 0.000 0.205 265 K C 1.763 178.504 176.600 0.234 0.000 1.050 265 K CA 0.916 57.267 56.287 0.106 0.000 0.938 265 K CB -0.467 32.028 32.500 -0.009 0.000 0.718 265 K HN 0.497 nan 8.250 nan 0.000 0.442 266 L N 0.089 121.490 121.223 0.298 0.000 2.046 266 L HA -0.196 4.144 4.340 -0.001 0.000 0.208 266 L C 2.327 179.280 176.870 0.139 0.000 1.077 266 L CA 1.383 56.373 54.840 0.250 0.000 0.747 266 L CB -0.294 41.896 42.059 0.219 0.000 0.896 266 L HN 0.148 nan 8.230 nan 0.000 0.432 267 R N -0.045 120.520 120.500 0.110 0.000 2.091 267 R HA -0.182 4.158 4.340 -0.001 0.000 0.238 267 R C 1.854 178.195 176.300 0.068 0.000 1.136 267 R CA 1.689 57.836 56.100 0.077 0.000 0.959 267 R CB -0.534 29.803 30.300 0.062 0.000 0.856 267 R HN 0.365 nan 8.270 nan 0.000 0.437 268 D N 0.515 120.955 120.400 0.067 0.000 2.221 268 D HA -0.120 4.520 4.640 -0.001 0.000 0.204 268 D C 1.497 177.828 176.300 0.052 0.000 0.982 268 D CA 1.339 55.367 54.000 0.046 0.000 0.857 268 D CB -0.119 40.697 40.800 0.027 0.000 0.934 268 D HN 0.294 nan 8.370 nan 0.000 0.475 269 A N -0.484 122.384 122.820 0.079 0.000 2.208 269 A HA 0.407 4.727 4.320 -0.001 0.000 0.209 269 A C 1.724 179.338 177.584 0.050 0.000 1.161 269 A CA 1.086 53.163 52.037 0.067 0.000 0.782 269 A CB -0.033 19.019 19.000 0.087 0.000 0.816 269 A HN 0.262 nan 8.150 nan 0.000 0.477 270 G N -2.400 106.433 108.800 0.055 0.000 2.143 270 G HA2 0.201 4.161 3.960 -0.001 0.000 0.175 270 G HA3 0.201 4.161 3.960 -0.001 0.000 0.175 270 G C 0.271 175.209 174.900 0.063 0.000 1.004 270 G CA 0.099 45.232 45.100 0.055 0.000 0.671 270 G HN 1.416 nan 8.290 nan 0.000 0.512 271 A N -0.180 122.676 122.820 0.060 0.000 2.286 271 A HA 0.643 4.963 4.320 -0.001 0.000 0.286 271 A C -0.028 177.596 177.584 0.065 0.000 1.097 271 A CA 0.295 52.362 52.037 0.049 0.000 0.821 271 A CB 0.836 19.861 19.000 0.042 0.000 1.076 271 A HN 0.452 nan 8.150 nan 0.000 0.490 272 D N 1.181 121.611 120.400 0.051 0.000 2.427 272 D HA 0.513 5.153 4.640 -0.001 0.000 0.226 272 D C -0.843 175.494 176.300 0.062 0.000 1.076 272 D CA 0.063 54.114 54.000 0.085 0.000 0.849 272 D CB 0.144 41.040 40.800 0.161 0.000 1.052 272 D HN 0.341 nan 8.370 nan 0.000 0.515 273 I N 2.869 123.484 120.570 0.074 0.000 2.465 273 I HA 0.359 4.528 4.170 -0.001 0.000 0.291 273 I C 0.173 176.337 176.117 0.078 0.000 1.014 273 I CA -0.739 60.606 61.300 0.075 0.000 1.093 273 I CB 1.896 39.934 38.000 0.062 0.000 1.267 273 I HN 0.215 nan 8.210 nan 0.000 0.431 274 E N 4.970 125.236 120.200 0.111 0.000 2.317 274 E HA 0.611 4.960 4.350 -0.001 0.000 0.270 274 E C -1.366 175.187 176.600 -0.079 0.000 0.885 274 E CA -0.839 55.612 56.400 0.086 0.000 0.760 274 E CB 3.446 33.289 29.700 0.238 0.000 1.227 274 E HN 0.404 nan 8.360 nan 0.000 0.434 275 V N -1.063 118.643 119.914 -0.346 0.000 2.680 275 V HA 0.902 5.022 4.120 -0.001 0.000 0.309 275 V C 0.073 175.434 176.094 -1.222 0.000 1.052 275 V CA -0.425 61.442 62.300 -0.721 0.000 0.908 275 V CB 1.454 33.054 31.823 -0.371 0.000 1.001 275 V HN 0.741 nan 8.190 nan 0.000 0.431 276 G N 1.575 109.140 108.800 -2.058 0.000 2.857 276 G HA2 0.432 4.392 3.960 -0.001 0.000 0.217 276 G HA3 0.432 4.392 3.960 -0.001 0.000 0.217 276 G C 0.154 174.640 174.900 -0.691 0.000 1.357 276 G CA 0.174 44.367 45.100 -1.511 0.000 1.033 276 G HN 0.853 nan 8.290 nan 0.000 0.571 277 E N -0.654 119.345 120.200 -0.334 0.000 2.318 277 E HA -0.017 4.333 4.350 -0.001 0.000 0.193 277 E C 0.166 176.702 176.600 -0.107 0.000 0.998 277 E CA 0.996 57.305 56.400 -0.153 0.000 0.859 277 E CB 0.307 29.982 29.700 -0.042 0.000 0.812 277 E HN 0.513 nan 8.360 nan 0.000 0.492 278 D N -0.661 119.695 120.400 -0.073 0.000 2.740 278 D HA 0.001 4.641 4.640 -0.001 0.000 0.305 278 D C -0.394 175.993 176.300 0.145 0.000 1.583 278 D CA -0.468 53.550 54.000 0.029 0.000 0.790 278 D CB -0.921 39.923 40.800 0.073 0.000 1.187 278 D HN 0.164 nan 8.370 nan 0.000 0.447 279 W N 0.217 121.520 121.300 0.004 0.000 3.167 279 W HA 0.703 5.363 4.660 -0.000 0.000 0.324 279 W C -1.981 174.544 176.519 0.011 0.000 1.230 279 W CA -1.298 56.049 57.345 0.004 0.000 1.184 279 W CB 0.549 30.008 29.460 -0.002 0.000 1.414 279 W HN -0.300 nan 8.180 nan 0.000 0.551 280 I N 2.937 123.694 120.570 0.311 0.000 2.647 280 I HA 0.377 4.546 4.170 -0.001 0.000 0.295 280 I C -0.029 176.313 176.117 0.375 0.000 1.078 280 I CA -0.766 60.659 61.300 0.207 0.000 1.048 280 I CB 2.563 40.616 38.000 0.088 0.000 1.239 280 I HN 0.464 nan 8.210 nan 0.000 0.421 281 S N 6.505 122.433 115.700 0.380 0.000 2.536 281 S HA 0.862 5.332 4.470 -0.001 0.000 0.298 281 S C -1.040 173.650 174.600 0.150 0.000 1.083 281 S CA -0.731 57.630 58.200 0.268 0.000 0.995 281 S CB 2.361 65.745 63.200 0.307 0.000 1.058 281 S HN 0.643 nan 8.310 nan 0.000 0.488 282 L N 1.965 123.236 121.223 0.080 0.000 2.464 282 L HA 0.672 5.012 4.340 -0.001 0.000 0.266 282 L C -2.063 174.785 176.870 -0.036 0.000 0.965 282 L CA -0.267 54.592 54.840 0.032 0.000 0.833 282 L CB 1.978 44.060 42.059 0.039 0.000 1.296 282 L HN 0.845 nan 8.230 nan 0.000 0.405 283 D N 4.731 125.066 120.400 -0.108 0.000 2.757 283 D HA 0.336 4.975 4.640 -0.001 0.000 0.249 283 D C 0.235 176.334 176.300 -0.335 0.000 1.168 283 D CA -0.438 53.395 54.000 -0.277 0.000 0.870 283 D CB 1.910 42.426 40.800 -0.473 0.000 1.411 283 D HN 0.487 nan 8.370 nan 0.000 0.525 284 M N 1.518 120.979 119.600 -0.232 0.000 2.509 284 M HA 0.029 4.508 4.480 -0.001 0.000 0.250 284 M C 0.134 176.414 176.300 -0.033 0.000 1.132 284 M CA 0.224 55.461 55.300 -0.106 0.000 1.080 284 M CB -0.665 31.910 32.600 -0.041 0.000 1.408 284 M HN 0.481 nan 8.290 nan 0.000 0.484 285 H N 0.416 119.494 119.070 0.014 0.000 2.692 285 H HA -0.162 4.393 4.556 -0.001 0.000 0.316 285 H C 1.376 176.709 175.328 0.008 0.000 1.176 285 H CA 0.945 57.000 56.048 0.011 0.000 1.142 285 H CB -2.199 27.571 29.762 0.013 0.000 1.475 285 H HN 0.663 nan 8.280 nan 0.000 0.423 286 G N -0.795 108.048 108.800 0.071 0.000 2.189 286 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.267 286 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.267 286 G C 0.449 175.375 174.900 0.042 0.000 0.975 286 G CA 0.796 45.925 45.100 0.048 0.000 0.644 286 G HN 0.395 nan 8.290 nan 0.000 0.537 287 K N 0.374 120.806 120.400 0.054 0.000 2.185 287 K HA 0.386 4.706 4.320 -0.001 0.000 0.271 287 K C 0.733 177.347 176.600 0.024 0.000 1.013 287 K CA -0.757 55.556 56.287 0.043 0.000 0.943 287 K CB 1.088 33.625 32.500 0.061 0.000 0.998 287 K HN 0.462 nan 8.250 nan 0.000 0.468 288 R N 3.180 123.692 120.500 0.020 0.000 2.438 288 R HA 0.159 4.498 4.340 -0.001 0.000 0.287 288 R C -2.006 174.302 176.300 0.014 0.000 1.077 288 R CA -1.179 54.928 56.100 0.012 0.000 1.034 288 R CB 0.395 30.702 30.300 0.012 0.000 0.993 288 R HN 0.338 nan 8.270 nan 0.000 0.459 289 P HA 0.043 nan 4.420 nan 0.000 0.269 289 P C -1.208 176.101 177.300 0.015 0.000 1.215 289 P CA 0.062 63.167 63.100 0.007 0.000 0.780 289 P CB 0.673 32.366 31.700 -0.012 0.000 0.898 290 K N 0.946 121.359 120.400 0.022 0.000 2.130 290 K HA 0.490 4.810 4.320 -0.001 0.000 0.268 290 K C 0.218 176.829 176.600 0.020 0.000 0.983 290 K CA -0.662 55.638 56.287 0.022 0.000 0.893 290 K CB 1.692 34.206 32.500 0.023 0.000 1.066 290 K HN 0.543 nan 8.250 nan 0.000 0.450 291 A N 2.079 124.907 122.820 0.013 0.000 2.561 291 A HA 0.232 4.552 4.320 -0.001 0.000 0.234 291 A C 0.357 177.931 177.584 -0.016 0.000 1.055 291 A CA -0.213 51.826 52.037 0.002 0.000 0.756 291 A CB -0.078 18.922 19.000 -0.001 0.000 0.986 291 A HN 0.542 nan 8.150 nan 0.000 0.505 292 V N 0.350 120.245 119.914 -0.031 0.000 3.074 292 V HA 0.646 4.766 4.120 -0.001 0.000 0.314 292 V C -0.462 175.501 176.094 -0.219 0.000 1.117 292 V CA -1.260 60.989 62.300 -0.085 0.000 1.014 292 V CB 1.900 33.712 31.823 -0.019 0.000 1.057 292 V HN 0.880 nan 8.190 nan 0.000 0.438 293 N N 0.368 118.860 118.700 -0.346 0.000 2.400 293 N HA 0.767 5.506 4.740 -0.001 0.000 0.288 293 N C -1.323 173.882 175.510 -0.509 0.000 1.024 293 N CA -0.581 52.089 53.050 -0.634 0.000 0.894 293 N CB 2.239 40.148 38.487 -0.962 0.000 1.173 293 N HN 0.622 nan 8.380 nan 0.000 0.487 294 V N 1.680 121.291 119.914 -0.505 0.000 2.789 294 V HA 0.490 4.610 4.120 -0.001 0.000 0.311 294 V C -0.423 175.494 176.094 -0.296 0.000 1.073 294 V CA -0.782 61.211 62.300 -0.511 0.000 0.921 294 V CB 2.065 33.381 31.823 -0.844 0.000 1.009 294 V HN 0.654 nan 8.190 nan 0.000 0.426 295 R N 2.336 122.696 120.500 -0.232 0.000 2.435 295 R HA 0.519 4.858 4.340 -0.001 0.000 0.308 295 R C -0.130 176.161 176.300 -0.015 0.000 0.975 295 R CA -0.268 55.797 56.100 -0.059 0.000 0.867 295 R CB 1.685 31.990 30.300 0.008 0.000 1.171 295 R HN 0.932 nan 8.270 nan 0.000 0.470 296 T N 1.292 115.878 114.554 0.053 0.000 2.918 296 T HA 0.660 5.010 4.350 -0.001 0.000 0.302 296 T C 0.084 174.830 174.700 0.077 0.000 1.045 296 T CA -0.059 62.130 62.100 0.149 0.000 1.114 296 T CB 1.502 70.466 68.868 0.161 0.000 0.965 296 T HN 0.722 nan 8.240 nan 0.000 0.540 297 A N 3.065 125.927 122.820 0.071 0.000 2.515 297 A HA 0.722 5.042 4.320 -0.001 0.000 0.292 297 A C -3.155 174.438 177.584 0.015 0.000 1.065 297 A CA -1.646 50.402 52.037 0.018 0.000 0.641 297 A CB 0.166 19.176 19.000 0.016 0.000 1.306 297 A HN 0.659 nan 8.150 nan 0.000 0.441 298 P HA 0.259 nan 4.420 nan 0.000 0.268 298 P C -0.317 177.014 177.300 0.051 0.000 1.208 298 P CA 0.389 63.501 63.100 0.020 0.000 0.777 298 P CB 0.120 31.824 31.700 0.007 0.000 0.875 299 H N 4.179 123.238 119.070 -0.017 0.000 3.092 299 H HA -0.031 4.525 4.556 -0.001 0.000 0.332 299 H C -1.293 174.029 175.328 -0.010 0.000 1.029 299 H CA -0.283 55.755 56.048 -0.016 0.000 1.376 299 H CB 0.211 29.964 29.762 -0.015 0.000 1.329 299 H HN 0.313 nan 8.280 nan 0.000 0.598 300 P HA 0.197 nan 4.420 nan 0.000 0.259 300 P C -0.529 176.547 177.300 -0.373 0.000 1.530 300 P CA -0.010 62.469 63.100 -1.035 0.000 1.022 300 P CB 0.001 31.212 31.700 -0.815 0.000 1.514 301 A N 0.414 123.138 122.820 -0.159 0.000 2.292 301 A HA 0.268 4.587 4.320 -0.001 0.000 0.265 301 A C -0.215 177.384 177.584 0.025 0.000 1.133 301 A CA -0.459 51.556 52.037 -0.037 0.000 0.807 301 A CB -0.457 18.545 19.000 0.003 0.000 1.102 301 A HN 0.184 nan 8.150 nan 0.000 0.502 302 F N 1.104 121.005 119.950 -0.082 0.000 2.578 302 F HA 0.356 4.882 4.527 -0.001 0.000 0.381 302 F C -1.968 173.804 175.800 -0.047 0.000 1.069 302 F CA -1.716 56.229 58.000 -0.091 0.000 1.231 302 F CB 0.539 39.446 39.000 -0.156 0.000 1.086 302 F HN 0.190 nan 8.300 nan 0.000 0.564 303 P HA 0.081 nan 4.420 nan 0.000 0.285 303 P C 0.405 177.704 177.300 -0.003 0.000 1.259 303 P CA -0.253 62.771 63.100 -0.127 0.000 0.794 303 P CB 1.406 32.989 31.700 -0.195 0.000 0.940 304 T N 0.619 115.226 114.554 0.088 0.000 2.803 304 T HA -0.154 4.196 4.350 -0.001 0.000 0.269 304 T C 0.991 175.765 174.700 0.124 0.000 1.052 304 T CA 1.639 63.828 62.100 0.148 0.000 1.136 304 T CB -0.788 68.176 68.868 0.160 0.000 0.864 304 T HN 0.278 nan 8.240 nan 0.000 0.467 305 D N 0.317 120.759 120.400 0.071 0.000 2.384 305 D HA 0.017 4.656 4.640 -0.001 0.000 0.222 305 D C 1.357 177.675 176.300 0.029 0.000 0.976 305 D CA 0.599 54.624 54.000 0.041 0.000 0.915 305 D CB 0.025 40.835 40.800 0.016 0.000 0.896 305 D HN 0.390 nan 8.370 nan 0.000 0.523 306 M N -0.332 119.279 119.600 0.019 0.000 2.313 306 M HA 0.053 4.533 4.480 -0.001 0.000 0.273 306 M C 1.592 178.103 176.300 0.352 0.000 1.049 306 M CA 0.114 55.464 55.300 0.083 0.000 1.004 306 M CB 0.408 32.880 32.600 -0.213 0.000 1.461 306 M HN -0.010 nan 8.290 nan 0.000 0.514 307 Q N 0.830 120.826 119.800 0.326 0.000 2.084 307 Q HA -0.097 4.243 4.340 -0.001 0.000 0.202 307 Q C 1.632 177.759 176.000 0.211 0.000 0.978 307 Q CA 2.031 58.052 55.803 0.363 0.000 0.844 307 Q CB 0.155 29.042 28.738 0.247 0.000 0.898 307 Q HN 0.450 nan 8.270 nan 0.000 0.426 308 A N 0.359 123.149 122.820 -0.050 0.000 1.929 308 A HA -0.182 4.138 4.320 -0.001 0.000 0.216 308 A C 1.976 179.519 177.584 -0.068 0.000 1.176 308 A CA 1.309 53.114 52.037 -0.386 0.000 0.628 308 A CB -0.342 18.103 19.000 -0.926 0.000 0.816 308 A HN 0.426 nan 8.150 nan 0.000 0.444 309 Q N -1.043 118.772 119.800 0.025 0.000 2.084 309 Q HA -0.079 4.261 4.340 -0.001 0.000 0.202 309 Q C 1.556 177.580 176.000 0.040 0.000 0.978 309 Q CA 1.690 57.505 55.803 0.021 0.000 0.844 309 Q CB -0.457 28.297 28.738 0.026 0.000 0.898 309 Q HN 0.691 nan 8.270 nan 0.000 0.426 310 F N -0.142 119.879 119.950 0.117 0.000 2.407 310 F HA -0.089 4.438 4.527 -0.000 0.000 0.299 310 F C 2.091 177.933 175.800 0.070 0.000 1.097 310 F CA 1.046 59.115 58.000 0.114 0.000 1.422 310 F CB -0.146 38.959 39.000 0.174 0.000 1.067 310 F HN 0.022 nan 8.300 nan 0.000 0.539 311 T N 0.372 115.070 114.554 0.240 0.000 2.777 311 T HA -0.172 4.178 4.350 -0.001 0.000 0.266 311 T C 2.010 176.786 174.700 0.126 0.000 1.040 311 T CA 1.181 63.406 62.100 0.208 0.000 1.141 311 T CB -0.463 68.607 68.868 0.337 0.000 0.868 311 T HN 0.137 nan 8.240 nan 0.000 0.444 312 L N 1.364 122.639 121.223 0.086 0.000 2.017 312 L HA 0.070 4.410 4.340 -0.001 0.000 0.208 312 L C 2.209 179.072 176.870 -0.012 0.000 1.073 312 L CA 1.482 56.340 54.840 0.029 0.000 0.745 312 L CB -0.951 41.105 42.059 -0.006 0.000 0.894 312 L HN 0.253 nan 8.230 nan 0.000 0.432 313 L N -0.194 120.992 121.223 -0.060 0.000 1.971 313 L HA -0.318 4.021 4.340 -0.001 0.000 0.215 313 L C 2.294 179.147 176.870 -0.027 0.000 1.072 313 L CA 2.093 56.876 54.840 -0.094 0.000 0.758 313 L CB -0.672 41.248 42.059 -0.231 0.000 0.889 313 L HN 0.394 nan 8.230 nan 0.000 0.433 314 N N -0.096 118.612 118.700 0.015 0.000 2.192 314 N HA -0.196 4.543 4.740 -0.001 0.000 0.188 314 N C 1.766 177.287 175.510 0.018 0.000 1.013 314 N CA 1.506 54.570 53.050 0.023 0.000 0.863 314 N CB -0.408 38.100 38.487 0.035 0.000 0.990 314 N HN 0.414 nan 8.380 nan 0.000 0.430 315 L N 0.127 121.363 121.223 0.021 0.000 2.478 315 L HA 0.000 4.340 4.340 -0.001 0.000 0.223 315 L C 1.272 178.145 176.870 0.004 0.000 1.140 315 L CA 0.403 55.255 54.840 0.019 0.000 0.842 315 L CB 0.136 42.209 42.059 0.024 0.000 0.953 315 L HN 0.059 nan 8.230 nan 0.000 0.452 316 V N -4.833 115.079 119.914 -0.002 0.000 3.159 316 V HA 0.549 4.669 4.120 -0.001 0.000 0.333 316 V C 0.614 176.707 176.094 -0.000 0.000 1.424 316 V CA -0.277 62.018 62.300 -0.008 0.000 1.125 316 V CB -0.235 31.577 31.823 -0.020 0.000 1.075 316 V HN 0.083 nan 8.190 nan 0.000 0.482 317 A N 0.157 122.981 122.820 0.008 0.000 2.247 317 A HA 0.709 5.029 4.320 -0.001 0.000 0.313 317 A C -0.022 177.577 177.584 0.025 0.000 1.109 317 A CA -0.649 51.395 52.037 0.012 0.000 0.890 317 A CB 0.785 19.792 19.000 0.010 0.000 1.239 317 A HN 0.486 nan 8.150 nan 0.000 0.506 318 E N -0.397 119.817 120.200 0.025 0.000 2.105 318 E HA 0.457 4.807 4.350 -0.001 0.000 0.285 318 E C 0.512 177.134 176.600 0.036 0.000 1.055 318 E CA 0.961 57.380 56.400 0.032 0.000 0.843 318 E CB 0.289 30.005 29.700 0.027 0.000 1.067 318 E HN 1.315 nan 8.360 nan 0.000 0.398 319 G N 2.750 111.581 108.800 0.051 0.000 2.447 319 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.220 319 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.220 319 G C -0.581 174.360 174.900 0.068 0.000 1.261 319 G CA -0.549 44.587 45.100 0.059 0.000 1.000 319 G HN 0.487 nan 8.290 nan 0.000 0.515 320 T N 0.581 115.172 114.554 0.060 0.000 2.807 320 T HA 0.733 5.082 4.350 -0.001 0.000 0.279 320 T C 0.418 175.116 174.700 -0.004 0.000 0.993 320 T CA 0.470 62.586 62.100 0.027 0.000 0.970 320 T CB 1.545 70.464 68.868 0.085 0.000 0.950 320 T HN 1.728 nan 8.240 nan 0.000 0.441 321 G N 1.997 110.772 108.800 -0.041 0.000 2.612 321 G HA2 0.747 4.706 3.960 -0.001 0.000 0.298 321 G HA3 0.747 4.706 3.960 -0.001 0.000 0.298 321 G C -1.321 173.573 174.900 -0.010 0.000 1.336 321 G CA -0.927 44.133 45.100 -0.067 0.000 0.953 321 G HN 0.663 nan 8.290 nan 0.000 0.482 322 F N -0.286 119.625 119.950 -0.064 0.000 2.538 322 F HA 0.862 5.389 4.527 -0.001 0.000 0.325 322 F C -0.731 175.040 175.800 -0.048 0.000 1.066 322 F CA -1.680 56.281 58.000 -0.065 0.000 0.946 322 F CB 1.852 40.812 39.000 -0.067 0.000 1.199 322 F HN 0.282 nan 8.300 nan 0.000 0.473 323 I N 2.235 122.945 120.570 0.234 0.000 2.447 323 I HA 0.293 4.463 4.170 -0.001 0.000 0.287 323 I C -0.978 175.306 176.117 0.278 0.000 1.023 323 I CA -0.519 60.876 61.300 0.158 0.000 1.083 323 I CB 2.264 40.354 38.000 0.151 0.000 1.245 323 I HN 0.701 nan 8.210 nan 0.000 0.434 324 T N 4.302 119.006 114.554 0.249 0.000 2.794 324 T HA 0.295 4.644 4.350 -0.001 0.000 0.280 324 T C -0.371 174.454 174.700 0.207 0.000 0.987 324 T CA -0.436 61.812 62.100 0.246 0.000 0.993 324 T CB 1.702 70.699 68.868 0.214 0.000 0.939 324 T HN 0.472 nan 8.240 nan 0.000 0.449 325 E N 1.657 122.015 120.200 0.263 0.000 2.113 325 E HA 0.388 4.738 4.350 -0.001 0.000 0.273 325 E C 0.798 177.462 176.600 0.106 0.000 0.924 325 E CA -0.583 55.917 56.400 0.167 0.000 0.764 325 E CB 0.835 30.600 29.700 0.108 0.000 1.104 325 E HN 0.653 nan 8.360 nan 0.000 0.406 326 T N 0.627 115.211 114.554 0.050 0.000 3.044 326 T HA 0.159 4.509 4.350 -0.001 0.000 0.260 326 T C 0.922 175.587 174.700 -0.058 0.000 1.019 326 T CA 0.400 62.507 62.100 0.012 0.000 0.921 326 T CB 0.179 69.053 68.868 0.011 0.000 1.053 326 T HN 0.203 nan 8.240 nan 0.000 0.533 327 V N -0.270 119.574 119.914 -0.118 0.000 2.627 327 V HA 0.434 4.554 4.120 -0.001 0.000 0.239 327 V C 0.028 175.821 176.094 -0.502 0.000 1.077 327 V CA 0.346 62.441 62.300 -0.342 0.000 1.103 327 V CB -0.160 31.404 31.823 -0.432 0.000 0.802 327 V HN 0.440 nan 8.190 nan 0.000 0.482 328 F N 0.649 120.583 119.950 -0.027 0.000 2.443 328 F HA 0.451 4.978 4.527 -0.001 0.000 0.369 328 F C 1.086 176.840 175.800 -0.078 0.000 1.090 328 F CA -1.063 56.906 58.000 -0.051 0.000 1.129 328 F CB 0.723 39.679 39.000 -0.074 0.000 1.367 328 F HN 0.027 nan 8.300 nan 0.000 0.465 329 E N 0.692 120.971 120.200 0.132 0.000 2.409 329 E HA -0.094 4.256 4.350 -0.001 0.000 0.198 329 E C 0.458 177.146 176.600 0.146 0.000 1.024 329 E CA 0.663 57.136 56.400 0.121 0.000 0.861 329 E CB 0.076 29.844 29.700 0.113 0.000 0.788 329 E HN 0.433 nan 8.360 nan 0.000 0.521 330 N N 0.766 119.519 118.700 0.090 0.000 2.328 330 N HA 0.033 4.773 4.740 -0.001 0.000 0.247 330 N C -0.236 175.257 175.510 -0.029 0.000 1.165 330 N CA 0.025 53.133 53.050 0.097 0.000 0.873 330 N CB 0.479 39.013 38.487 0.077 0.000 1.125 330 N HN -0.045 nan 8.380 nan 0.000 0.513 331 R N 0.679 121.015 120.500 -0.273 0.000 4.071 331 R HA 0.202 4.542 4.340 -0.001 0.000 0.220 331 R C -0.647 175.370 176.300 -0.471 0.000 1.614 331 R CA -0.006 55.918 56.100 -0.294 0.000 1.505 331 R CB -0.499 29.681 30.300 -0.200 0.000 1.384 331 R HN -0.051 nan 8.270 nan 0.000 0.758 332 F N 0.145 120.115 119.950 0.034 0.000 2.880 332 F HA 0.186 4.713 4.527 -0.000 0.000 0.328 332 F C 1.330 176.920 175.800 -0.351 0.000 1.146 332 F CA -0.377 57.495 58.000 -0.213 0.000 1.135 332 F CB 0.336 39.251 39.000 -0.141 0.000 1.151 332 F HN 0.210 nan 8.300 nan 0.000 0.523 333 M N -0.181 119.419 119.600 0.001 0.000 2.267 333 M HA -0.225 4.255 4.480 -0.001 0.000 0.263 333 M C 2.216 178.506 176.300 -0.017 0.000 1.063 333 M CA 1.975 57.273 55.300 -0.004 0.000 1.090 333 M CB -0.782 31.826 32.600 0.012 0.000 1.392 333 M HN 0.452 nan 8.290 nan 0.000 0.422 334 H N -1.602 117.506 119.070 0.062 0.000 2.421 334 H HA -0.043 4.513 4.556 -0.001 0.000 0.298 334 H C 1.853 177.224 175.328 0.072 0.000 1.087 334 H CA 1.156 57.236 56.048 0.054 0.000 1.330 334 H CB -1.006 28.790 29.762 0.056 0.000 1.388 334 H HN 0.106 nan 8.280 nan 0.000 0.526 335 V N 1.782 121.519 119.914 -0.295 0.000 2.233 335 V HA -0.191 3.929 4.120 -0.001 0.000 0.247 335 V C -0.242 175.832 176.094 -0.032 0.000 1.050 335 V CA 2.249 64.475 62.300 -0.123 0.000 1.010 335 V CB -1.232 30.492 31.823 -0.165 0.000 0.637 335 V HN 0.457 nan 8.190 nan 0.000 0.444 336 P HA -0.124 nan 4.420 nan 0.000 0.216 336 P C 1.556 178.862 177.300 0.010 0.000 1.150 336 P CA 1.217 64.314 63.100 -0.006 0.000 0.837 336 P CB -0.065 31.632 31.700 -0.006 0.000 0.786 337 E N -0.150 120.061 120.200 0.018 0.000 2.051 337 E HA -0.119 4.231 4.350 -0.001 0.000 0.192 337 E C 2.164 178.782 176.600 0.031 0.000 0.991 337 E CA 1.018 57.435 56.400 0.029 0.000 0.799 337 E CB -1.037 28.687 29.700 0.041 0.000 0.748 337 E HN 0.325 nan 8.360 nan 0.000 0.449 338 L N 0.941 122.188 121.223 0.041 0.000 2.191 338 L HA -0.122 4.217 4.340 -0.001 0.000 0.212 338 L C 2.434 179.314 176.870 0.016 0.000 1.103 338 L CA 0.669 55.530 54.840 0.035 0.000 0.769 338 L CB -0.264 41.831 42.059 0.059 0.000 0.908 338 L HN 0.007 nan 8.230 nan 0.000 0.438 339 S N -0.450 115.262 115.700 0.019 0.000 2.402 339 S HA -0.090 4.380 4.470 -0.001 0.000 0.229 339 S C 1.982 176.592 174.600 0.016 0.000 1.021 339 S CA 0.845 59.058 58.200 0.021 0.000 0.974 339 S CB -0.117 63.102 63.200 0.031 0.000 0.800 339 S HN 0.391 nan 8.310 nan 0.000 0.484 340 R N 0.616 121.125 120.500 0.015 0.000 2.193 340 R HA 0.091 4.430 4.340 -0.001 0.000 0.229 340 R C 1.423 177.727 176.300 0.007 0.000 1.110 340 R CA 0.940 57.048 56.100 0.014 0.000 0.988 340 R CB -0.270 30.039 30.300 0.016 0.000 0.871 340 R HN 0.442 nan 8.270 nan 0.000 0.458 341 M N -0.644 118.955 119.600 -0.000 0.000 2.453 341 M HA 0.190 4.670 4.480 -0.001 0.000 0.239 341 M C 0.607 176.886 176.300 -0.034 0.000 1.151 341 M CA 0.325 55.618 55.300 -0.010 0.000 0.989 341 M CB 1.260 33.856 32.600 -0.007 0.000 1.548 341 M HN 0.376 nan 8.290 nan 0.000 0.479 342 G N 0.784 109.557 108.800 -0.044 0.000 2.141 342 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.231 342 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.231 342 G C 0.165 174.921 174.900 -0.239 0.000 0.984 342 G CA -0.041 44.998 45.100 -0.101 0.000 0.660 342 G HN 0.666 nan 8.290 nan 0.000 0.525 343 A N -0.148 122.584 122.820 -0.147 0.000 2.386 343 A HA 0.637 4.956 4.320 -0.001 0.000 0.248 343 A C 0.084 177.599 177.584 -0.115 0.000 1.082 343 A CA 0.183 52.127 52.037 -0.156 0.000 0.789 343 A CB 0.233 19.212 19.000 -0.036 0.000 1.025 343 A HN 0.667 nan 8.150 nan 0.000 0.490 344 H N 0.267 119.377 119.070 0.065 0.000 2.673 344 H HA 0.560 5.116 4.556 -0.001 0.000 0.293 344 H C 0.016 175.422 175.328 0.131 0.000 1.065 344 H CA 0.213 56.319 56.048 0.098 0.000 1.236 344 H CB 1.200 31.032 29.762 0.118 0.000 1.389 344 H HN 0.884 nan 8.280 nan 0.000 0.481 345 A N 3.406 126.349 122.820 0.205 0.000 2.515 345 A HA 0.488 4.807 4.320 -0.001 0.000 0.298 345 A C -0.977 176.646 177.584 0.064 0.000 1.059 345 A CA -1.024 51.075 52.037 0.103 0.000 0.698 345 A CB 1.796 20.815 19.000 0.032 0.000 1.289 345 A HN 0.670 nan 8.150 nan 0.000 0.404 346 E N 1.618 121.830 120.200 0.021 0.000 2.288 346 E HA 0.629 4.978 4.350 -0.001 0.000 0.268 346 E C -1.399 175.136 176.600 -0.107 0.000 0.885 346 E CA -0.644 55.743 56.400 -0.023 0.000 0.767 346 E CB 1.955 31.661 29.700 0.011 0.000 1.220 346 E HN 0.494 nan 8.360 nan 0.000 0.427 347 I N 1.689 122.172 120.570 -0.145 0.000 2.330 347 I HA 0.173 4.343 4.170 -0.001 0.000 0.289 347 I C -0.193 175.824 176.117 -0.167 0.000 1.001 347 I CA -0.656 60.497 61.300 -0.245 0.000 1.193 347 I CB 1.169 38.989 38.000 -0.301 0.000 1.345 347 I HN 0.244 nan 8.210 nan 0.000 0.461 348 E N 5.152 125.253 120.200 -0.165 0.000 2.102 348 E HA 0.332 4.682 4.350 -0.001 0.000 0.263 348 E C 0.217 176.757 176.600 -0.099 0.000 0.894 348 E CA -0.054 56.279 56.400 -0.111 0.000 0.746 348 E CB 1.655 31.293 29.700 -0.103 0.000 1.129 348 E HN 0.752 nan 8.360 nan 0.000 0.416 349 S N 3.933 119.596 115.700 -0.062 0.000 4.139 349 S HA -0.357 4.113 4.470 -0.001 0.000 0.603 349 S C 0.680 175.287 174.600 0.011 0.000 1.897 349 S CA 2.190 60.379 58.200 -0.018 0.000 4.241 349 S CB -1.093 62.098 63.200 -0.016 0.000 0.221 349 S HN 0.818 nan 8.310 nan 0.000 0.488 350 N N 0.337 119.069 118.700 0.054 0.000 2.321 350 N HA 0.380 5.119 4.740 -0.001 0.000 0.242 350 N C -0.621 174.990 175.510 0.168 0.000 1.141 350 N CA 0.078 53.248 53.050 0.200 0.000 0.864 350 N CB 0.973 39.590 38.487 0.216 0.000 1.100 350 N HN 0.301 nan 8.380 nan 0.000 0.510 351 T N 0.349 114.876 114.554 -0.046 0.000 2.824 351 T HA 0.282 4.632 4.350 -0.001 0.000 0.282 351 T C -0.971 173.569 174.700 -0.266 0.000 0.993 351 T CA -0.666 61.396 62.100 -0.064 0.000 0.967 351 T CB 2.342 71.159 68.868 -0.085 0.000 0.960 351 T HN 0.021 nan 8.240 nan 0.000 0.441 352 V N 5.682 125.446 119.914 -0.250 0.000 2.407 352 V HA 0.546 4.666 4.120 -0.001 0.000 0.278 352 V C -0.524 175.534 176.094 -0.060 0.000 1.037 352 V CA -0.776 61.372 62.300 -0.254 0.000 0.900 352 V CB 0.268 31.930 31.823 -0.270 0.000 0.983 352 V HN 0.794 nan 8.190 nan 0.000 0.459 353 I N 7.279 127.797 120.570 -0.088 0.000 2.304 353 I HA 0.358 4.527 4.170 -0.001 0.000 0.291 353 I C -0.215 175.777 176.117 -0.207 0.000 1.018 353 I CA -0.237 61.008 61.300 -0.090 0.000 1.260 353 I CB 0.787 38.736 38.000 -0.085 0.000 1.390 353 I HN 0.509 nan 8.210 nan 0.000 0.475 354 C N 5.531 124.691 119.300 -0.233 0.000 2.355 354 C HA 0.449 4.909 4.460 -0.001 0.000 0.332 354 C C 0.037 174.779 174.990 -0.412 0.000 1.255 354 C CA -0.649 58.236 59.018 -0.221 0.000 1.792 354 C CB 0.192 27.897 27.740 -0.058 0.000 2.300 354 C HN 0.620 nan 8.230 nan 0.000 0.515 355 H N 1.361 120.484 119.070 0.087 0.000 2.685 355 H HA 0.312 4.868 4.556 -0.000 0.000 0.307 355 H C 0.497 175.884 175.328 0.098 0.000 1.017 355 H CA -0.067 56.036 56.048 0.092 0.000 1.237 355 H CB 1.186 31.006 29.762 0.098 0.000 1.409 355 H HN 0.945 nan 8.280 nan 0.000 0.488 356 G N 2.527 111.409 108.800 0.138 0.000 2.272 356 G HA2 0.264 4.223 3.960 -0.001 0.000 0.247 356 G HA3 0.264 4.223 3.960 -0.001 0.000 0.247 356 G C 0.638 175.592 174.900 0.090 0.000 1.272 356 G CA -0.205 44.946 45.100 0.085 0.000 0.921 356 G HN 0.466 nan 8.290 nan 0.000 0.495 357 V N 0.515 120.452 119.914 0.039 0.000 3.096 357 V HA 0.552 4.672 4.120 -0.001 0.000 0.319 357 V C 1.025 177.121 176.094 0.004 0.000 1.082 357 V CA -0.679 61.630 62.300 0.016 0.000 1.022 357 V CB 2.108 33.887 31.823 -0.073 0.000 1.103 357 V HN 0.629 nan 8.190 nan 0.000 0.455 358 E N 1.250 121.454 120.200 0.006 0.000 2.076 358 E HA 0.021 4.371 4.350 -0.001 0.000 0.190 358 E C 0.368 176.965 176.600 -0.006 0.000 0.979 358 E CA 1.354 57.758 56.400 0.006 0.000 0.807 358 E CB 0.245 29.952 29.700 0.012 0.000 0.761 358 E HN 0.880 nan 8.360 nan 0.000 0.454 359 K N -0.682 119.708 120.400 -0.016 0.000 2.562 359 K HA 0.382 4.702 4.320 -0.001 0.000 0.267 359 K C -0.756 175.823 176.600 -0.034 0.000 0.938 359 K CA -0.643 55.631 56.287 -0.021 0.000 0.840 359 K CB 1.071 33.564 32.500 -0.013 0.000 1.390 359 K HN -0.156 nan 8.250 nan 0.000 0.428 360 L N 1.095 122.298 121.223 -0.034 0.000 2.416 360 L HA 0.464 4.804 4.340 -0.001 0.000 0.262 360 L C -0.168 176.686 176.870 -0.026 0.000 1.093 360 L CA -0.951 53.865 54.840 -0.039 0.000 0.801 360 L CB 1.760 43.798 42.059 -0.034 0.000 1.191 360 L HN 0.714 nan 8.230 nan 0.000 0.459 361 S N -0.491 115.195 115.700 -0.023 0.000 2.482 361 S HA 0.523 4.993 4.470 -0.001 0.000 0.303 361 S C 0.129 174.725 174.600 -0.007 0.000 1.091 361 S CA -0.766 57.426 58.200 -0.012 0.000 1.057 361 S CB 1.659 64.853 63.200 -0.009 0.000 1.031 361 S HN 0.796 nan 8.310 nan 0.000 0.485 362 G N 1.187 109.986 108.800 -0.002 0.000 2.484 362 G HA2 0.493 4.453 3.960 -0.001 0.000 0.235 362 G HA3 0.493 4.453 3.960 -0.001 0.000 0.235 362 G C -0.192 174.712 174.900 0.007 0.000 1.282 362 G CA 0.168 45.269 45.100 0.003 0.000 0.857 362 G HN 1.095 nan 8.290 nan 0.000 0.571 363 A N 1.677 124.503 122.820 0.011 0.000 2.566 363 A HA 0.637 4.957 4.320 -0.001 0.000 0.290 363 A C -0.597 176.998 177.584 0.019 0.000 1.071 363 A CA -0.809 51.236 52.037 0.014 0.000 0.658 363 A CB 0.806 19.813 19.000 0.012 0.000 1.285 363 A HN 0.689 nan 8.150 nan 0.000 0.427 364 Q N 0.441 120.253 119.800 0.020 0.000 2.293 364 Q HA 0.479 4.819 4.340 -0.001 0.000 0.263 364 Q C -0.058 175.956 176.000 0.023 0.000 1.002 364 Q CA -0.355 55.462 55.803 0.023 0.000 0.910 364 Q CB 1.114 29.865 28.738 0.022 0.000 1.185 364 Q HN 0.983 nan 8.270 nan 0.000 0.401 365 V N -0.279 119.651 119.914 0.027 0.000 3.102 365 V HA 0.687 4.807 4.120 -0.001 0.000 0.312 365 V C -0.771 175.338 176.094 0.025 0.000 1.135 365 V CA -1.278 61.038 62.300 0.026 0.000 1.022 365 V CB 2.289 34.129 31.823 0.028 0.000 1.056 365 V HN 0.846 nan 8.190 nan 0.000 0.436 366 M N 2.861 122.473 119.600 0.020 0.000 2.190 366 M HA 0.790 5.270 4.480 -0.001 0.000 0.312 366 M C -0.110 176.188 176.300 -0.003 0.000 0.990 366 M CA -0.580 54.728 55.300 0.014 0.000 0.927 366 M CB 1.407 34.017 32.600 0.017 0.000 1.571 366 M HN 1.213 nan 8.290 nan 0.000 0.427 367 A N 2.974 125.787 122.820 -0.011 0.000 2.407 367 A HA 0.551 4.871 4.320 -0.001 0.000 0.248 367 A C 0.696 178.187 177.584 -0.157 0.000 1.082 367 A CA 0.224 52.231 52.037 -0.050 0.000 0.785 367 A CB 0.088 19.071 19.000 -0.028 0.000 1.020 367 A HN 0.963 nan 8.150 nan 0.000 0.489 368 T N -2.259 112.091 114.554 -0.340 0.000 3.092 368 T HA 0.198 4.548 4.350 -0.001 0.000 0.273 368 T C -0.296 173.938 174.700 -0.776 0.000 0.898 368 T CA 0.376 62.062 62.100 -0.689 0.000 0.868 368 T CB 0.089 68.773 68.868 -0.305 0.000 1.228 368 T HN 0.585 nan 8.240 nan 0.000 0.555 369 D N 1.085 121.243 120.400 -0.405 0.000 2.549 369 D HA 0.308 4.948 4.640 -0.001 0.000 0.251 369 D C 1.022 177.267 176.300 -0.092 0.000 1.153 369 D CA -0.637 53.228 54.000 -0.226 0.000 0.861 369 D CB 2.079 42.799 40.800 -0.133 0.000 1.207 369 D HN -0.030 nan 8.370 nan 0.000 0.543 370 L N 4.638 125.836 121.223 -0.042 0.000 2.151 370 L HA -0.242 4.098 4.340 -0.001 0.000 0.219 370 L C 1.859 178.774 176.870 0.075 0.000 1.083 370 L CA 1.964 56.825 54.840 0.036 0.000 0.782 370 L CB -0.039 42.019 42.059 -0.002 0.000 0.891 370 L HN 0.429 nan 8.230 nan 0.000 0.439 371 R N -2.253 118.273 120.500 0.043 0.000 2.167 371 R HA 0.323 4.663 4.340 -0.001 0.000 0.195 371 R C 2.066 178.441 176.300 0.124 0.000 1.027 371 R CA 0.961 57.139 56.100 0.130 0.000 1.114 371 R CB -1.014 29.300 30.300 0.022 0.000 1.075 371 R HN 0.356 nan 8.270 nan 0.000 0.538 372 A N 1.094 123.916 122.820 0.004 0.000 1.940 372 A HA -0.119 4.201 4.320 -0.001 0.000 0.219 372 A C 2.077 179.620 177.584 -0.069 0.000 1.176 372 A CA 1.911 53.900 52.037 -0.080 0.000 0.631 372 A CB -0.484 18.441 19.000 -0.124 0.000 0.814 372 A HN 0.230 nan 8.150 nan 0.000 0.446 373 S N -0.272 115.414 115.700 -0.023 0.000 2.507 373 S HA 0.107 4.577 4.470 -0.001 0.000 0.235 373 S C 2.024 176.606 174.600 -0.030 0.000 0.988 373 S CA 0.680 58.870 58.200 -0.016 0.000 0.944 373 S CB -0.318 62.868 63.200 -0.024 0.000 0.762 373 S HN 0.781 nan 8.310 nan 0.000 0.526 374 A N 1.903 124.685 122.820 -0.062 0.000 2.024 374 A HA -0.136 4.184 4.320 -0.001 0.000 0.220 374 A C 2.295 179.775 177.584 -0.172 0.000 1.164 374 A CA 1.801 53.711 52.037 -0.212 0.000 0.643 374 A CB -0.832 17.873 19.000 -0.491 0.000 0.806 374 A HN 0.637 nan 8.150 nan 0.000 0.451 375 S N -0.129 115.504 115.700 -0.112 0.000 2.423 375 S HA -0.050 4.420 4.470 -0.001 0.000 0.231 375 S C 1.789 176.361 174.600 -0.047 0.000 1.014 375 S CA 1.233 59.381 58.200 -0.087 0.000 0.965 375 S CB -0.649 62.507 63.200 -0.074 0.000 0.785 375 S HN 0.496 nan 8.310 nan 0.000 0.495 376 L N 0.995 122.205 121.223 -0.021 0.000 2.093 376 L HA -0.019 4.320 4.340 -0.001 0.000 0.208 376 L C 2.674 179.539 176.870 -0.007 0.000 1.085 376 L CA 0.847 55.689 54.840 0.005 0.000 0.755 376 L CB -0.771 41.304 42.059 0.027 0.000 0.904 376 L HN 0.241 nan 8.230 nan 0.000 0.435 377 V N -0.204 119.695 119.914 -0.025 0.000 2.295 377 V HA -0.273 3.846 4.120 -0.001 0.000 0.246 377 V C 2.459 178.499 176.094 -0.090 0.000 1.049 377 V CA 1.384 63.655 62.300 -0.049 0.000 1.024 377 V CB -0.450 31.318 31.823 -0.091 0.000 0.648 377 V HN 0.228 nan 8.190 nan 0.000 0.447 378 L N 0.636 121.790 121.223 -0.114 0.000 2.042 378 L HA -0.177 4.162 4.340 -0.001 0.000 0.210 378 L C 2.628 179.457 176.870 -0.068 0.000 1.076 378 L CA 2.346 57.123 54.840 -0.106 0.000 0.749 378 L CB -1.260 40.722 42.059 -0.128 0.000 0.893 378 L HN 0.307 nan 8.230 nan 0.000 0.432 379 A N -0.630 122.161 122.820 -0.049 0.000 1.902 379 A HA -0.127 4.193 4.320 -0.001 0.000 0.217 379 A C 2.452 180.020 177.584 -0.027 0.000 1.181 379 A CA 1.692 53.711 52.037 -0.030 0.000 0.623 379 A CB -1.424 17.569 19.000 -0.012 0.000 0.818 379 A HN 0.449 nan 8.150 nan 0.000 0.443 380 G N -0.741 108.044 108.800 -0.024 0.000 2.469 380 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.219 380 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.219 380 G C 1.567 176.449 174.900 -0.030 0.000 1.150 380 G CA 1.378 46.467 45.100 -0.019 0.000 0.763 380 G HN 0.540 nan 8.290 nan 0.000 0.561 381 C N 0.683 119.956 119.300 -0.045 0.000 2.422 381 C HA 0.031 4.491 4.460 -0.001 0.000 0.279 381 C C 2.642 177.612 174.990 -0.033 0.000 1.305 381 C CA 0.887 59.879 59.018 -0.044 0.000 1.757 381 C CB -0.974 26.734 27.740 -0.053 0.000 1.962 381 C HN 0.667 nan 8.230 nan 0.000 0.499 382 I N -1.280 119.271 120.570 -0.031 0.000 4.057 382 I HA 0.383 4.553 4.170 -0.001 0.000 0.334 382 I C 1.077 177.181 176.117 -0.022 0.000 1.308 382 I CA -0.096 61.188 61.300 -0.026 0.000 1.125 382 I CB -0.374 37.608 38.000 -0.029 0.000 1.034 382 I HN 0.062 nan 8.210 nan 0.000 0.401 383 A N 1.921 124.729 122.820 -0.020 0.000 2.313 383 A HA 0.301 4.621 4.320 -0.001 0.000 0.261 383 A C -0.031 177.545 177.584 -0.013 0.000 1.090 383 A CA -0.167 51.860 52.037 -0.016 0.000 0.807 383 A CB 0.295 19.287 19.000 -0.014 0.000 1.055 383 A HN 0.454 nan 8.150 nan 0.000 0.492 384 E N 0.203 120.397 120.200 -0.011 0.000 2.152 384 E HA 0.485 4.835 4.350 -0.001 0.000 0.285 384 E C 0.693 177.291 176.600 -0.004 0.000 1.043 384 E CA 1.090 57.486 56.400 -0.007 0.000 0.839 384 E CB -0.051 29.645 29.700 -0.006 0.000 1.069 384 E HN 1.663 nan 8.360 nan 0.000 0.399 385 G N 3.343 112.141 108.800 -0.003 0.000 2.516 385 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.220 385 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.220 385 G C -0.543 174.358 174.900 0.002 0.000 1.165 385 G CA -0.295 44.805 45.100 -0.000 0.000 1.013 385 G HN 0.664 nan 8.290 nan 0.000 0.590 386 T N 1.542 116.099 114.554 0.006 0.000 2.779 386 T HA 0.666 5.016 4.350 -0.001 0.000 0.280 386 T C -0.235 174.474 174.700 0.014 0.000 0.987 386 T CA 0.290 62.396 62.100 0.010 0.000 0.966 386 T CB 1.508 70.384 68.868 0.013 0.000 0.933 386 T HN 0.709 nan 8.240 nan 0.000 0.442 387 T N 2.896 117.461 114.554 0.018 0.000 2.797 387 T HA 0.520 4.870 4.350 -0.001 0.000 0.279 387 T C -0.290 174.435 174.700 0.042 0.000 0.991 387 T CA -0.521 61.594 62.100 0.025 0.000 0.979 387 T CB 1.228 70.108 68.868 0.020 0.000 0.943 387 T HN 0.305 nan 8.240 nan 0.000 0.444 388 V N 4.076 124.016 119.914 0.044 0.000 2.357 388 V HA 0.338 4.458 4.120 -0.001 0.000 0.284 388 V C -0.110 176.020 176.094 0.060 0.000 1.018 388 V CA -0.752 61.583 62.300 0.057 0.000 0.841 388 V CB 1.575 33.424 31.823 0.043 0.000 0.991 388 V HN 0.716 nan 8.190 nan 0.000 0.437 389 V N 4.269 124.237 119.914 0.090 0.000 2.334 389 V HA 0.272 4.392 4.120 -0.001 0.000 0.267 389 V C 0.151 176.261 176.094 0.027 0.000 1.040 389 V CA -0.411 61.935 62.300 0.076 0.000 0.866 389 V CB 1.215 33.117 31.823 0.133 0.000 1.019 389 V HN 0.849 nan 8.190 nan 0.000 0.468 390 D N 3.687 124.096 120.400 0.014 0.000 2.339 390 D HA 0.298 4.938 4.640 -0.001 0.000 0.245 390 D C 0.845 177.133 176.300 -0.020 0.000 1.115 390 D CA -0.168 53.832 54.000 0.000 0.000 0.917 390 D CB 0.501 41.313 40.800 0.020 0.000 1.192 390 D HN 0.509 nan 8.370 nan 0.000 0.428 391 R N 1.441 121.930 120.500 -0.018 0.000 3.407 391 R HA -0.148 4.192 4.340 -0.001 0.000 0.277 391 R C 1.097 177.257 176.300 -0.234 0.000 1.119 391 R CA 0.722 56.797 56.100 -0.042 0.000 0.750 391 R CB -1.977 28.328 30.300 0.009 0.000 1.258 391 R HN 0.626 nan 8.270 nan 0.000 0.432 392 I N -1.617 118.826 120.570 -0.212 0.000 3.444 392 I HA -0.125 4.045 4.170 -0.001 0.000 0.287 392 I C 1.823 177.804 176.117 -0.227 0.000 1.302 392 I CA 0.614 61.757 61.300 -0.262 0.000 1.368 392 I CB -0.512 37.170 38.000 -0.529 0.000 1.048 392 I HN 0.353 nan 8.210 nan 0.000 0.487 393 Y N 0.816 121.019 120.300 -0.161 0.000 2.298 393 Y HA -0.254 4.296 4.550 -0.001 0.000 0.287 393 Y C 2.411 178.227 175.900 -0.140 0.000 1.164 393 Y CA 1.359 59.358 58.100 -0.167 0.000 1.229 393 Y CB -1.569 36.764 38.460 -0.212 0.000 0.977 393 Y HN 0.178 nan 8.280 nan 0.000 0.538 394 H N 0.753 119.480 119.070 -0.572 0.000 2.290 394 H HA -0.146 4.409 4.556 -0.001 0.000 0.298 394 H C 2.345 177.629 175.328 -0.072 0.000 1.087 394 H CA 2.181 58.057 56.048 -0.287 0.000 1.291 394 H CB -0.413 29.139 29.762 -0.349 0.000 1.369 394 H HN 0.464 nan 8.280 nan 0.000 0.492 395 I N 1.056 121.673 120.570 0.077 0.000 2.361 395 I HA -0.223 3.947 4.170 -0.001 0.000 0.251 395 I C 1.820 178.057 176.117 0.200 0.000 1.133 395 I CA 1.062 62.467 61.300 0.175 0.000 1.413 395 I CB -0.155 37.941 38.000 0.161 0.000 1.073 395 I HN 0.082 nan 8.210 nan 0.000 0.424 396 D N 0.783 121.253 120.400 0.116 0.000 2.263 396 D HA -0.129 4.510 4.640 -0.001 0.000 0.208 396 D C 2.235 178.598 176.300 0.105 0.000 0.971 396 D CA 0.904 54.974 54.000 0.118 0.000 0.867 396 D CB -0.184 40.664 40.800 0.080 0.000 0.929 396 D HN 0.351 nan 8.370 nan 0.000 0.492 397 R N -0.181 120.375 120.500 0.094 0.000 2.189 397 R HA 0.040 4.380 4.340 -0.001 0.000 0.218 397 R C 2.060 178.379 176.300 0.031 0.000 1.074 397 R CA 1.133 57.273 56.100 0.066 0.000 0.991 397 R CB 0.003 30.345 30.300 0.070 0.000 0.883 397 R HN 0.143 nan 8.270 nan 0.000 0.457 398 G N -1.292 107.529 108.800 0.035 0.000 2.748 398 G HA2 0.065 4.025 3.960 -0.001 0.000 0.204 398 G HA3 0.065 4.025 3.960 -0.001 0.000 0.204 398 G C -0.176 174.502 174.900 -0.369 0.000 1.095 398 G CA -0.118 44.891 45.100 -0.152 0.000 0.775 398 G HN 0.080 nan 8.290 nan 0.000 0.531 399 Y N 0.080 120.411 120.300 0.051 0.000 2.425 399 Y HA 0.445 4.995 4.550 -0.000 0.000 0.344 399 Y C -0.171 175.780 175.900 0.085 0.000 0.969 399 Y CA -1.174 56.965 58.100 0.065 0.000 1.052 399 Y CB 1.981 40.474 38.460 0.055 0.000 1.215 399 Y HN -0.030 nan 8.280 nan 0.000 0.451 400 E N 4.358 124.688 120.200 0.217 0.000 2.104 400 E HA 0.184 4.533 4.350 -0.001 0.000 0.278 400 E C -0.465 176.245 176.600 0.183 0.000 1.127 400 E CA -0.254 56.243 56.400 0.162 0.000 0.897 400 E CB 0.113 29.881 29.700 0.113 0.000 1.043 400 E HN 0.665 nan 8.360 nan 0.000 0.410 401 R N 3.643 124.246 120.500 0.172 0.000 3.146 401 R HA -0.220 4.120 4.340 -0.001 0.000 0.250 401 R C 0.983 177.380 176.300 0.162 0.000 0.912 401 R CA 0.409 56.603 56.100 0.157 0.000 0.633 401 R CB -1.843 28.522 30.300 0.108 0.000 1.180 401 R HN 0.765 nan 8.270 nan 0.000 0.464 402 I N 1.352 122.034 120.570 0.186 0.000 2.394 402 I HA -0.256 3.914 4.170 -0.001 0.000 0.251 402 I C 2.569 178.698 176.117 0.020 0.000 1.136 402 I CA 1.841 63.222 61.300 0.135 0.000 1.425 402 I CB -0.018 37.990 38.000 0.013 0.000 1.079 402 I HN 0.474 nan 8.210 nan 0.000 0.425 403 E N 0.377 120.542 120.200 -0.059 0.000 2.150 403 E HA -0.256 4.094 4.350 -0.001 0.000 0.193 403 E C 1.165 177.726 176.600 -0.064 0.000 0.985 403 E CA 1.319 57.605 56.400 -0.189 0.000 0.814 403 E CB -0.442 29.106 29.700 -0.253 0.000 0.752 403 E HN 0.491 nan 8.360 nan 0.000 0.466 404 D N 1.814 122.216 120.400 0.002 0.000 2.097 404 D HA -0.083 4.557 4.640 -0.001 0.000 0.197 404 D C 1.912 178.201 176.300 -0.018 0.000 0.984 404 D CA 1.263 55.263 54.000 0.000 0.000 0.826 404 D CB -0.114 40.698 40.800 0.020 0.000 0.973 404 D HN 0.300 nan 8.370 nan 0.000 0.460 405 K N 0.349 120.747 120.400 -0.002 0.000 2.097 405 K HA -0.008 4.312 4.320 -0.001 0.000 0.205 405 K C 2.350 178.918 176.600 -0.055 0.000 1.050 405 K CA 0.481 56.722 56.287 -0.077 0.000 0.938 405 K CB -0.088 32.331 32.500 -0.135 0.000 0.718 405 K HN 0.135 nan 8.250 nan 0.000 0.442 406 L N 0.578 121.826 121.223 0.042 0.000 2.093 406 L HA -0.138 4.202 4.340 -0.001 0.000 0.208 406 L C 2.728 179.580 176.870 -0.029 0.000 1.085 406 L CA 1.057 55.919 54.840 0.037 0.000 0.755 406 L CB -0.276 41.778 42.059 -0.009 0.000 0.904 406 L HN 0.150 nan 8.230 nan 0.000 0.435 407 R N 0.254 120.725 120.500 -0.048 0.000 2.092 407 R HA -0.118 4.221 4.340 -0.001 0.000 0.231 407 R C 2.126 178.399 176.300 -0.044 0.000 1.119 407 R CA 1.239 57.310 56.100 -0.047 0.000 0.970 407 R CB -0.187 30.086 30.300 -0.045 0.000 0.864 407 R HN 0.322 nan 8.270 nan 0.000 0.440 408 A N -0.015 122.774 122.820 -0.052 0.000 2.239 408 A HA 0.015 4.334 4.320 -0.001 0.000 0.209 408 A C 1.564 179.109 177.584 -0.064 0.000 1.171 408 A CA 0.678 52.679 52.037 -0.059 0.000 0.768 408 A CB -0.117 18.839 19.000 -0.074 0.000 0.790 408 A HN 0.336 nan 8.150 nan 0.000 0.478 409 L N -2.177 119.011 121.223 -0.057 0.000 2.693 409 L HA 0.315 4.655 4.340 -0.001 0.000 0.235 409 L C 1.478 178.328 176.870 -0.033 0.000 1.127 409 L CA 0.590 55.402 54.840 -0.047 0.000 0.914 409 L CB 0.404 42.441 42.059 -0.036 0.000 1.193 409 L HN 0.496 nan 8.230 nan 0.000 0.502 410 G N 0.023 108.803 108.800 -0.033 0.000 2.192 410 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.193 410 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.193 410 G C 0.350 175.233 174.900 -0.030 0.000 0.999 410 G CA -0.182 44.901 45.100 -0.029 0.000 0.659 410 G HN 0.371 nan 8.290 nan 0.000 0.503 411 A N 0.143 122.942 122.820 -0.035 0.000 2.425 411 A HA 0.566 4.885 4.320 -0.001 0.000 0.249 411 A C 0.502 178.059 177.584 -0.046 0.000 1.084 411 A CA 0.256 52.266 52.037 -0.045 0.000 0.781 411 A CB 0.349 19.312 19.000 -0.061 0.000 1.019 411 A HN 0.519 nan 8.150 nan 0.000 0.490 412 N N 1.967 120.642 118.700 -0.042 0.000 2.558 412 N HA 0.370 5.110 4.740 -0.001 0.000 0.233 412 N C -1.303 174.180 175.510 -0.046 0.000 1.038 412 N CA 0.015 53.044 53.050 -0.035 0.000 0.934 412 N CB 0.201 38.675 38.487 -0.022 0.000 1.175 412 N HN 0.639 nan 8.380 nan 0.000 0.512 413 I N 1.122 121.656 120.570 -0.061 0.000 2.619 413 I HA 0.384 4.553 4.170 -0.001 0.000 0.292 413 I C -1.249 174.842 176.117 -0.043 0.000 1.100 413 I CA -0.602 60.643 61.300 -0.091 0.000 1.043 413 I CB 1.995 39.866 38.000 -0.216 0.000 1.239 413 I HN 0.335 nan 8.210 nan 0.000 0.420 414 E N 6.876 127.093 120.200 0.029 0.000 2.314 414 E HA 0.354 4.703 4.350 -0.001 0.000 0.272 414 E C -1.414 175.334 176.600 0.247 0.000 0.884 414 E CA -0.953 55.506 56.400 0.098 0.000 0.753 414 E CB 2.199 31.941 29.700 0.070 0.000 1.213 414 E HN 0.593 nan 8.360 nan 0.000 0.432 415 R N 3.851 124.507 120.500 0.260 0.000 2.198 415 R HA 0.316 4.656 4.340 -0.001 0.000 0.339 415 R C -0.495 175.871 176.300 0.111 0.000 1.020 415 R CA -0.389 55.869 56.100 0.264 0.000 0.864 415 R CB 0.656 31.119 30.300 0.271 0.000 1.105 415 R HN 0.327 nan 8.270 nan 0.000 0.463 416 V N 1.666 121.622 119.914 0.070 0.000 2.975 416 V HA 0.514 4.634 4.120 -0.001 0.000 0.318 416 V C -0.303 175.796 176.094 0.010 0.000 1.077 416 V CA -0.757 61.566 62.300 0.039 0.000 1.000 416 V CB 2.035 33.882 31.823 0.040 0.000 1.066 416 V HN 0.785 nan 8.190 nan 0.000 0.452 417 K N 3.071 123.476 120.400 0.009 0.000 2.981 417 K HA 0.354 4.674 4.320 -0.001 0.000 0.213 417 K C 0.656 177.256 176.600 -0.001 0.000 1.154 417 K CA 0.082 56.368 56.287 -0.001 0.000 1.111 417 K CB 0.754 33.253 32.500 -0.001 0.000 0.975 417 K HN 0.969 nan 8.250 nan 0.000 0.462 418 G N 0.000 108.801 108.800 0.002 0.000 5.446 418 G HA2 0.000 3.960 3.960 -0.001 0.000 0.244 418 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 418 G CA 0.000 45.103 45.100 0.004 0.000 0.502 418 G HN 0.000 nan 8.290 nan 0.000 0.925