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 3kqa_1_C DATA FIRST_RESID 1 DATA SEQUENCE MDKFRVQGPT RLQGEVTISG AKNAALPILF AALLAEEPVE IQNVPKLKDI DATA SEQUENCE DTTMKLLTQL GTKVERDGSV WIDASNVNNF SAPYDLVKTM RASIWALGPL DATA SEQUENCE VARFGQGQVS LPGGXAIGAR PVDLHIFGLE KLGAEIKLEE GYVKASVNGR DATA SEQUENCE LKGAHIVMDK VSVGATVTIM SAATLAEGTT IIENAAREPE IVDTANFLVA DATA SEQUENCE LGAKISGQGT DRITIEGVER LGGGVYRVLP DRIETGTFLV AAAISGGKIV DATA SEQUENCE CRNAQPDTLD AVLAKLREAG ADIETGEDWI SLDMHGKRPK AVTVRTAPHP DATA SEQUENCE AFPTDMQAQF TLLNLVAEGT GVITETIFEN RFMHVPELIR MGAHAEIESN DATA SEQUENCE TVICHGVEKL SGAQVMATDL RASASLVLAG CIAEGTTVVD RIYHIDRGYE DATA SEQUENCE RIEDKLRALG ANIERVKGE 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 0.000 176.290 176.300 -0.017 0.000 1.140 1 M CA 0.000 55.291 55.300 -0.015 0.000 0.988 1 M CB 0.000 32.616 32.600 0.027 0.000 1.302 2 D N 3.910 124.289 120.400 -0.035 0.000 2.414 2 D HA 0.419 5.059 4.640 -0.000 0.000 0.242 2 D C -0.730 175.491 176.300 -0.131 0.000 1.129 2 D CA 0.596 54.545 54.000 -0.085 0.000 0.885 2 D CB 0.787 41.511 40.800 -0.125 0.000 1.198 2 D HN 0.332 nan 8.370 nan 0.000 0.437 3 K N 0.609 120.927 120.400 -0.138 0.000 2.433 3 K HA 0.579 4.899 4.320 -0.000 0.000 0.252 3 K C -0.938 175.596 176.600 -0.111 0.000 1.015 3 K CA -0.644 55.568 56.287 -0.125 0.000 0.860 3 K CB 1.793 34.281 32.500 -0.019 0.000 1.359 3 K HN 0.284 nan 8.250 nan 0.000 0.452 4 F N 0.888 120.842 119.950 0.007 0.000 2.467 4 F HA 0.421 4.948 4.527 -0.000 0.000 0.336 4 F C 0.094 175.892 175.800 -0.003 0.000 1.123 4 F CA -0.969 57.030 58.000 -0.002 0.000 0.964 4 F CB 1.890 40.881 39.000 -0.015 0.000 1.136 4 F HN 0.246 nan 8.300 nan 0.000 0.447 5 R N 3.689 124.317 120.500 0.213 0.000 2.229 5 R HA 0.616 4.956 4.340 -0.000 0.000 0.332 5 R C -1.884 174.454 176.300 0.064 0.000 0.989 5 R CA -0.300 55.863 56.100 0.106 0.000 0.842 5 R CB 0.973 31.319 30.300 0.075 0.000 1.119 5 R HN 0.477 nan 8.270 nan 0.000 0.456 6 V N 4.476 124.412 119.914 0.038 0.000 2.581 6 V HA 0.388 4.508 4.120 -0.000 0.000 0.303 6 V C -0.277 175.816 176.094 -0.002 0.000 1.041 6 V CA -0.793 61.505 62.300 -0.003 0.000 0.907 6 V CB 1.813 33.623 31.823 -0.021 0.000 0.994 6 V HN 0.772 nan 8.190 nan 0.000 0.442 7 Q N 1.528 121.321 119.800 -0.012 0.000 2.325 7 Q HA 0.683 5.023 4.340 -0.000 0.000 0.270 7 Q C -0.025 175.967 176.000 -0.014 0.000 1.020 7 Q CA -0.322 55.476 55.803 -0.008 0.000 0.785 7 Q CB 2.420 31.155 28.738 -0.005 0.000 1.259 7 Q HN 0.999 nan 8.270 nan 0.000 0.452 8 G N 2.248 111.041 108.800 -0.012 0.000 3.042 8 G HA2 0.742 4.702 3.960 -0.000 0.000 0.278 8 G HA3 0.742 4.702 3.960 -0.000 0.000 0.278 8 G C -2.853 172.042 174.900 -0.009 0.000 1.371 8 G CA -1.296 43.796 45.100 -0.014 0.000 1.009 8 G HN 0.361 nan 8.290 nan 0.000 0.523 9 P HA 0.418 nan 4.420 nan 0.000 0.287 9 P C -0.714 176.578 177.300 -0.013 0.000 1.270 9 P CA -0.177 62.915 63.100 -0.012 0.000 0.844 9 P CB 1.838 33.532 31.700 -0.010 0.000 1.068 10 T N -1.179 113.365 114.554 -0.016 0.000 2.903 10 T HA 0.522 4.872 4.350 -0.000 0.000 0.299 10 T C -0.518 174.173 174.700 -0.015 0.000 1.093 10 T CA -1.047 61.044 62.100 -0.015 0.000 1.002 10 T CB 1.825 70.682 68.868 -0.019 0.000 1.127 10 T HN 0.478 nan 8.240 nan 0.000 0.488 11 R N 2.140 122.633 120.500 -0.012 0.000 2.265 11 R HA 0.604 4.944 4.340 -0.000 0.000 0.319 11 R C -0.869 175.425 176.300 -0.011 0.000 1.006 11 R CA -0.815 55.278 56.100 -0.011 0.000 0.880 11 R CB 0.424 30.718 30.300 -0.010 0.000 1.077 11 R HN 0.696 nan 8.270 nan 0.000 0.454 12 L N 5.962 127.181 121.223 -0.007 0.000 2.265 12 L HA 0.347 4.687 4.340 -0.000 0.000 0.288 12 L C -0.266 176.606 176.870 0.003 0.000 1.058 12 L CA -0.351 54.491 54.840 0.002 0.000 0.809 12 L CB 1.196 43.265 42.059 0.017 0.000 1.179 12 L HN 0.775 nan 8.230 nan 0.000 0.429 13 Q N 2.461 122.258 119.800 -0.004 0.000 2.522 13 Q HA 0.856 5.196 4.340 -0.000 0.000 0.285 13 Q C -0.328 175.659 176.000 -0.021 0.000 0.982 13 Q CA -0.604 55.191 55.803 -0.012 0.000 0.805 13 Q CB 2.715 31.441 28.738 -0.021 0.000 1.457 13 Q HN 0.645 nan 8.270 nan 0.000 0.394 14 G N 0.615 109.398 108.800 -0.028 0.000 2.204 14 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.153 14 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.153 14 G C -1.499 173.371 174.900 -0.050 0.000 1.295 14 G CA -0.235 44.841 45.100 -0.040 0.000 1.257 14 G HN 0.754 nan 8.290 nan 0.000 0.495 15 E N -1.346 118.813 120.200 -0.068 0.000 2.340 15 E HA 0.623 4.973 4.350 -0.000 0.000 0.273 15 E C -1.576 174.940 176.600 -0.140 0.000 0.891 15 E CA -0.694 55.654 56.400 -0.085 0.000 0.757 15 E CB 3.071 32.725 29.700 -0.076 0.000 1.231 15 E HN 0.939 nan 8.360 nan 0.000 0.439 16 V N 1.908 121.717 119.914 -0.175 0.000 2.925 16 V HA 0.544 4.664 4.120 -0.000 0.000 0.311 16 V C -1.294 174.683 176.094 -0.194 0.000 1.104 16 V CA -0.216 61.905 62.300 -0.298 0.000 0.954 16 V CB 2.418 33.849 31.823 -0.653 0.000 1.022 16 V HN 0.728 nan 8.190 nan 0.000 0.427 17 T N 7.407 121.858 114.554 -0.173 0.000 2.758 17 T HA 0.530 4.880 4.350 -0.000 0.000 0.285 17 T C -0.233 174.418 174.700 -0.080 0.000 0.981 17 T CA -0.261 61.785 62.100 -0.090 0.000 0.965 17 T CB 0.688 69.521 68.868 -0.059 0.000 0.927 17 T HN 0.475 nan 8.240 nan 0.000 0.448 18 I N 3.317 123.868 120.570 -0.032 0.000 2.533 18 I HA 0.150 4.320 4.170 -0.000 0.000 0.284 18 I C 1.172 177.297 176.117 0.013 0.000 1.109 18 I CA 0.025 61.334 61.300 0.014 0.000 1.412 18 I CB 0.327 38.353 38.000 0.043 0.000 1.396 18 I HN 0.562 nan 8.210 nan 0.000 0.543 19 S N 4.257 119.976 115.700 0.031 0.000 2.624 19 S HA 0.443 4.913 4.470 -0.000 0.000 0.263 19 S C 0.663 175.261 174.600 -0.003 0.000 1.287 19 S CA -0.574 57.635 58.200 0.014 0.000 0.990 19 S CB 1.144 64.363 63.200 0.032 0.000 0.950 19 S HN 0.842 nan 8.310 nan 0.000 0.561 20 G N 0.090 108.879 108.800 -0.020 0.000 2.467 20 G HA2 0.483 4.443 3.960 -0.000 0.000 0.257 20 G HA3 0.483 4.443 3.960 -0.000 0.000 0.257 20 G C -0.172 174.708 174.900 -0.033 0.000 1.227 20 G CA -0.520 44.561 45.100 -0.033 0.000 0.835 20 G HN 0.892 nan 8.290 nan 0.000 0.556 21 A N 1.680 124.478 122.820 -0.037 0.000 2.451 21 A HA 0.278 4.598 4.320 -0.000 0.000 0.266 21 A C 1.547 179.112 177.584 -0.032 0.000 1.119 21 A CA -0.111 51.901 52.037 -0.042 0.000 0.786 21 A CB 0.409 19.385 19.000 -0.041 0.000 1.061 21 A HN 0.856 nan 8.150 nan 0.000 0.503 22 K N 2.129 122.511 120.400 -0.030 0.000 2.063 22 K HA -0.167 4.153 4.320 -0.000 0.000 0.208 22 K C 0.850 177.471 176.600 0.034 0.000 1.048 22 K CA 1.795 58.081 56.287 -0.003 0.000 0.928 22 K CB -0.074 32.423 32.500 -0.005 0.000 0.713 22 K HN 0.791 nan 8.250 nan 0.000 0.442 23 N N 0.137 118.855 118.700 0.029 0.000 2.573 23 N HA -0.098 4.642 4.740 -0.000 0.000 0.187 23 N C 0.966 176.506 175.510 0.050 0.000 1.107 23 N CA 0.965 54.062 53.050 0.078 0.000 0.918 23 N CB 0.275 38.795 38.487 0.056 0.000 0.966 23 N HN 0.287 nan 8.380 nan 0.000 0.448 24 A N -0.167 122.652 122.820 -0.003 0.000 2.070 24 A HA 0.476 4.796 4.320 -0.000 0.000 0.202 24 A C 2.154 179.690 177.584 -0.080 0.000 1.277 24 A CA 0.626 52.636 52.037 -0.046 0.000 0.872 24 A CB -0.161 18.819 19.000 -0.033 0.000 0.933 24 A HN 0.186 nan 8.150 nan 0.000 0.475 25 A N 0.419 123.206 122.820 -0.054 0.000 1.898 25 A HA 0.014 4.334 4.320 -0.000 0.000 0.216 25 A C 2.084 179.627 177.584 -0.068 0.000 1.181 25 A CA 1.429 53.414 52.037 -0.087 0.000 0.620 25 A CB -0.629 18.334 19.000 -0.062 0.000 0.819 25 A HN 0.429 nan 8.150 nan 0.000 0.442 26 L N 0.000 121.255 121.223 0.052 0.000 1.994 26 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 26 L C -0.259 176.743 176.870 0.220 0.000 1.071 26 L CA 1.740 56.709 54.840 0.216 0.000 0.745 26 L CB -1.473 40.849 42.059 0.439 0.000 0.892 26 L HN 0.284 nan 8.230 nan 0.000 0.431 27 P HA -0.190 nan 4.420 nan 0.000 0.216 27 P C 1.857 179.005 177.300 -0.252 0.000 1.150 27 P CA 1.682 64.459 63.100 -0.538 0.000 0.837 27 P CB 0.020 31.161 31.700 -0.932 0.000 0.786 28 I N -0.711 119.697 120.570 -0.270 0.000 2.252 28 I HA -0.199 3.971 4.170 -0.000 0.000 0.245 28 I C 2.619 178.508 176.117 -0.380 0.000 1.102 28 I CA 1.140 62.164 61.300 -0.460 0.000 1.385 28 I CB -0.564 37.017 38.000 -0.697 0.000 1.064 28 I HN -0.136 nan 8.210 nan 0.000 0.414 29 L N -0.404 120.662 121.223 -0.261 0.000 2.083 29 L HA -0.227 4.113 4.340 -0.000 0.000 0.209 29 L C 2.397 179.144 176.870 -0.205 0.000 1.083 29 L CA 1.582 56.270 54.840 -0.253 0.000 0.752 29 L CB -0.482 41.394 42.059 -0.306 0.000 0.899 29 L HN 0.146 nan 8.230 nan 0.000 0.433 30 F N -0.638 119.306 119.950 -0.010 0.000 2.234 30 F HA -0.073 4.454 4.527 -0.000 0.000 0.296 30 F C 2.565 178.396 175.800 0.051 0.000 1.089 30 F CA 0.812 58.844 58.000 0.054 0.000 1.343 30 F CB -0.459 38.608 39.000 0.111 0.000 1.040 30 F HN -0.023 nan 8.300 nan 0.000 0.498 31 A N 0.227 123.158 122.820 0.186 0.000 2.024 31 A HA -0.134 4.186 4.320 -0.000 0.000 0.220 31 A C 2.347 180.083 177.584 0.253 0.000 1.164 31 A CA 1.526 53.678 52.037 0.191 0.000 0.643 31 A CB -1.164 17.970 19.000 0.224 0.000 0.806 31 A HN 0.313 nan 8.150 nan 0.000 0.451 32 A N -0.162 122.817 122.820 0.265 0.000 2.024 32 A HA -0.070 4.250 4.320 -0.000 0.000 0.220 32 A C 2.001 179.684 177.584 0.165 0.000 1.164 32 A CA 1.407 53.593 52.037 0.249 0.000 0.643 32 A CB -0.599 18.495 19.000 0.157 0.000 0.806 32 A HN 0.512 nan 8.150 nan 0.000 0.451 33 L N -0.794 120.530 121.223 0.169 0.000 2.261 33 L HA -0.172 4.168 4.340 -0.000 0.000 0.216 33 L C 2.178 179.147 176.870 0.166 0.000 1.114 33 L CA 0.719 55.677 54.840 0.197 0.000 0.777 33 L CB -0.425 41.788 42.059 0.256 0.000 0.910 33 L HN 0.403 nan 8.230 nan 0.000 0.440 34 L N -0.440 120.846 121.223 0.105 0.000 2.313 34 L HA 0.044 4.384 4.340 -0.000 0.000 0.214 34 L C 1.450 178.314 176.870 -0.011 0.000 1.119 34 L CA -0.224 54.627 54.840 0.018 0.000 0.809 34 L CB -0.447 41.608 42.059 -0.006 0.000 0.933 34 L HN 0.138 nan 8.230 nan 0.000 0.449 35 A N 0.387 123.222 122.820 0.024 0.000 2.454 35 A HA 0.084 4.404 4.320 -0.000 0.000 0.260 35 A C 0.874 178.476 177.584 0.030 0.000 1.106 35 A CA -0.122 51.919 52.037 0.007 0.000 0.780 35 A CB 0.138 19.155 19.000 0.028 0.000 1.044 35 A HN 0.326 nan 8.150 nan 0.000 0.498 36 E N 1.151 121.354 120.200 0.005 0.000 2.474 36 E HA 0.049 4.399 4.350 -0.000 0.000 0.195 36 E C -0.159 176.462 176.600 0.035 0.000 1.039 36 E CA 0.389 56.803 56.400 0.022 0.000 0.881 36 E CB 0.369 30.066 29.700 -0.006 0.000 0.970 36 E HN 0.844 nan 8.360 nan 0.000 0.486 37 E N 0.188 120.407 120.200 0.032 0.000 2.369 37 E HA 0.295 4.645 4.350 -0.000 0.000 0.270 37 E C -2.711 173.926 176.600 0.062 0.000 0.909 37 E CA -2.598 53.827 56.400 0.041 0.000 0.775 37 E CB 1.800 31.516 29.700 0.026 0.000 1.270 37 E HN -0.175 nan 8.360 nan 0.000 0.445 38 P HA -0.052 nan 4.420 nan 0.000 0.263 38 P C -1.144 176.230 177.300 0.123 0.000 1.175 38 P CA 0.295 63.461 63.100 0.111 0.000 0.761 38 P CB 0.398 32.167 31.700 0.115 0.000 0.794 39 V N 3.022 123.024 119.914 0.148 0.000 2.735 39 V HA 0.381 4.501 4.120 -0.000 0.000 0.310 39 V C -0.065 176.106 176.094 0.128 0.000 1.061 39 V CA -0.534 61.855 62.300 0.148 0.000 0.913 39 V CB 2.127 34.056 31.823 0.176 0.000 1.005 39 V HN 0.480 nan 8.190 nan 0.000 0.428 40 E N 3.290 123.535 120.200 0.076 0.000 2.185 40 E HA 0.554 4.904 4.350 -0.000 0.000 0.261 40 E C -1.760 174.771 176.600 -0.113 0.000 0.879 40 E CA -0.704 55.606 56.400 -0.150 0.000 0.756 40 E CB 1.570 31.189 29.700 -0.135 0.000 1.152 40 E HN 0.564 nan 8.360 nan 0.000 0.416 41 I N 4.595 125.034 120.570 -0.218 0.000 2.328 41 I HA 0.130 4.300 4.170 -0.000 0.000 0.287 41 I C 0.134 176.105 176.117 -0.242 0.000 1.012 41 I CA -0.199 61.011 61.300 -0.150 0.000 1.195 41 I CB 1.428 39.318 38.000 -0.183 0.000 1.350 41 I HN 0.414 nan 8.210 nan 0.000 0.464 42 Q N 4.072 123.763 119.800 -0.181 0.000 2.221 42 Q HA 0.377 4.717 4.340 -0.000 0.000 0.242 42 Q C 0.286 176.197 176.000 -0.148 0.000 0.940 42 Q CA -0.785 54.903 55.803 -0.191 0.000 0.896 42 Q CB 0.697 29.343 28.738 -0.154 0.000 1.226 42 Q HN 0.538 nan 8.270 nan 0.000 0.463 43 N N -0.434 118.190 118.700 -0.127 0.000 2.758 43 N HA -0.162 4.578 4.740 -0.000 0.000 0.248 43 N C -1.769 173.689 175.510 -0.086 0.000 1.076 43 N CA 0.234 53.229 53.050 -0.092 0.000 0.696 43 N CB -0.899 37.536 38.487 -0.086 0.000 0.979 43 N HN 0.353 nan 8.380 nan 0.000 0.550 44 V N 1.784 121.639 119.914 -0.099 0.000 2.432 44 V HA 0.457 4.577 4.120 -0.000 0.000 0.275 44 V C -1.346 174.715 176.094 -0.056 0.000 1.043 44 V CA -1.090 61.158 62.300 -0.087 0.000 0.925 44 V CB 1.365 33.122 31.823 -0.111 0.000 0.985 44 V HN 0.224 nan 8.190 nan 0.000 0.466 45 P HA 0.201 nan 4.420 nan 0.000 0.272 45 P C -0.853 176.443 177.300 -0.008 0.000 1.240 45 P CA -0.555 62.536 63.100 -0.014 0.000 0.791 45 P CB 0.996 32.693 31.700 -0.006 0.000 0.978 46 K N 1.570 121.976 120.400 0.010 0.000 2.360 46 K HA 0.420 4.740 4.320 -0.000 0.000 0.235 46 K C -0.300 176.317 176.600 0.028 0.000 1.077 46 K CA -0.218 56.078 56.287 0.016 0.000 1.035 46 K CB -0.067 32.446 32.500 0.022 0.000 1.623 46 K HN 0.392 nan 8.250 nan 0.000 0.462 47 L N 0.798 122.034 121.223 0.023 0.000 2.301 47 L HA 0.355 4.695 4.340 -0.000 0.000 0.264 47 L C 1.579 178.465 176.870 0.026 0.000 1.016 47 L CA -0.868 53.992 54.840 0.033 0.000 0.821 47 L CB 1.499 43.578 42.059 0.033 0.000 1.346 47 L HN 0.322 nan 8.230 nan 0.000 0.429 48 K N 0.451 120.869 120.400 0.030 0.000 2.044 48 K HA -0.225 4.095 4.320 -0.000 0.000 0.210 48 K C 1.005 177.617 176.600 0.019 0.000 1.049 48 K CA 2.306 58.605 56.287 0.021 0.000 0.927 48 K CB 0.078 32.590 32.500 0.021 0.000 0.713 48 K HN 0.656 nan 8.250 nan 0.000 0.443 49 D N 0.621 121.039 120.400 0.029 0.000 2.182 49 D HA -0.152 4.488 4.640 -0.000 0.000 0.201 49 D C 1.847 178.168 176.300 0.034 0.000 0.986 49 D CA 0.860 54.885 54.000 0.041 0.000 0.847 49 D CB -0.029 40.806 40.800 0.059 0.000 0.942 49 D HN 0.246 nan 8.370 nan 0.000 0.467 50 I N 1.158 121.738 120.570 0.017 0.000 2.286 50 I HA -0.166 4.004 4.170 -0.000 0.000 0.245 50 I C 1.677 177.784 176.117 -0.017 0.000 1.104 50 I CA 1.039 62.334 61.300 -0.009 0.000 1.397 50 I CB -1.022 36.967 38.000 -0.017 0.000 1.072 50 I HN -0.023 nan 8.210 nan 0.000 0.417 51 D N 0.925 121.323 120.400 -0.004 0.000 2.104 51 D HA -0.161 4.479 4.640 -0.000 0.000 0.194 51 D C 2.143 178.438 176.300 -0.009 0.000 0.994 51 D CA 1.836 55.833 54.000 -0.005 0.000 0.830 51 D CB -0.415 40.385 40.800 0.001 0.000 0.959 51 D HN 0.277 nan 8.370 nan 0.000 0.452 52 T N 0.433 114.986 114.554 -0.002 0.000 2.746 52 T HA -0.105 4.245 4.350 -0.000 0.000 0.267 52 T C 2.039 176.741 174.700 0.003 0.000 1.039 52 T CA 1.655 63.757 62.100 0.003 0.000 1.142 52 T CB -0.462 68.414 68.868 0.014 0.000 0.866 52 T HN 0.160 nan 8.240 nan 0.000 0.444 53 T N 2.084 116.629 114.554 -0.015 0.000 2.788 53 T HA 0.019 4.369 4.350 -0.000 0.000 0.268 53 T C 2.040 176.656 174.700 -0.139 0.000 1.044 53 T CA 1.038 63.074 62.100 -0.107 0.000 1.139 53 T CB -0.310 68.430 68.868 -0.213 0.000 0.867 53 T HN 0.320 nan 8.240 nan 0.000 0.454 54 M N 0.522 120.070 119.600 -0.087 0.000 2.099 54 M HA -0.064 4.416 4.480 -0.000 0.000 0.262 54 M C 2.375 178.655 176.300 -0.033 0.000 1.067 54 M CA 1.606 56.869 55.300 -0.062 0.000 1.124 54 M CB -0.294 32.286 32.600 -0.032 0.000 1.353 54 M HN 0.109 nan 8.290 nan 0.000 0.410 55 K N 0.472 120.861 120.400 -0.018 0.000 2.063 55 K HA -0.168 4.152 4.320 -0.000 0.000 0.208 55 K C 1.971 178.573 176.600 0.003 0.000 1.048 55 K CA 1.298 57.582 56.287 -0.005 0.000 0.928 55 K CB -0.440 32.058 32.500 -0.003 0.000 0.713 55 K HN 0.322 nan 8.250 nan 0.000 0.442 56 L N 1.325 122.553 121.223 0.009 0.000 2.046 56 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 56 L C 2.079 178.971 176.870 0.038 0.000 1.077 56 L CA 1.237 56.104 54.840 0.044 0.000 0.747 56 L CB -0.140 41.980 42.059 0.103 0.000 0.896 56 L HN 0.181 nan 8.230 nan 0.000 0.432 57 L N -0.839 120.376 121.223 -0.015 0.000 2.083 57 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 57 L C 2.521 179.399 176.870 0.014 0.000 1.083 57 L CA 1.642 56.477 54.840 -0.008 0.000 0.752 57 L CB -1.006 41.014 42.059 -0.066 0.000 0.899 57 L HN 0.304 nan 8.230 nan 0.000 0.433 58 T N -0.931 113.626 114.554 0.006 0.000 2.684 58 T HA -0.287 4.063 4.350 -0.000 0.000 0.267 58 T C 1.817 176.520 174.700 0.006 0.000 1.036 58 T CA 1.682 63.788 62.100 0.009 0.000 1.148 58 T CB -0.153 68.719 68.868 0.007 0.000 0.863 58 T HN 0.220 nan 8.240 nan 0.000 0.436 59 Q N 0.574 120.380 119.800 0.009 0.000 2.368 59 Q HA 0.037 4.377 4.340 -0.000 0.000 0.210 59 Q C 1.669 177.662 176.000 -0.011 0.000 0.982 59 Q CA 1.207 57.012 55.803 0.003 0.000 0.884 59 Q CB -0.552 28.198 28.738 0.019 0.000 0.933 59 Q HN 0.529 nan 8.270 nan 0.000 0.460 60 L N -1.833 119.391 121.223 0.003 0.000 2.591 60 L HA 0.286 4.626 4.340 -0.000 0.000 0.228 60 L C 1.154 177.989 176.870 -0.059 0.000 1.133 60 L CA 0.440 55.267 54.840 -0.021 0.000 0.880 60 L CB 0.072 42.163 42.059 0.054 0.000 1.033 60 L HN 0.459 nan 8.230 nan 0.000 0.450 61 G N -0.339 108.441 108.800 -0.033 0.000 2.168 61 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.197 61 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.197 61 G C 0.237 175.146 174.900 0.015 0.000 0.997 61 G CA -0.080 45.002 45.100 -0.030 0.000 0.658 61 G HN 0.214 nan 8.290 nan 0.000 0.513 62 T N 1.460 116.033 114.554 0.032 0.000 2.897 62 T HA 0.463 4.813 4.350 -0.000 0.000 0.294 62 T C 0.353 175.078 174.700 0.042 0.000 1.004 62 T CA 0.086 62.217 62.100 0.052 0.000 1.106 62 T CB 1.535 70.436 68.868 0.054 0.000 0.949 62 T HN 0.238 nan 8.240 nan 0.000 0.520 63 K N 2.561 122.993 120.400 0.053 0.000 2.262 63 K HA 0.521 4.841 4.320 -0.000 0.000 0.282 63 K C -0.973 175.668 176.600 0.069 0.000 1.066 63 K CA -0.455 55.863 56.287 0.051 0.000 0.901 63 K CB 0.851 33.382 32.500 0.051 0.000 1.089 63 K HN 0.314 nan 8.250 nan 0.000 0.476 64 V N 3.223 123.174 119.914 0.062 0.000 2.709 64 V HA 0.421 4.541 4.120 -0.000 0.000 0.308 64 V C -0.611 175.539 176.094 0.094 0.000 1.062 64 V CA -0.894 61.453 62.300 0.078 0.000 0.901 64 V CB 1.808 33.656 31.823 0.040 0.000 1.003 64 V HN 0.908 nan 8.190 nan 0.000 0.425 65 E N 4.191 124.485 120.200 0.157 0.000 2.390 65 E HA 0.786 5.136 4.350 -0.000 0.000 0.280 65 E C -1.190 175.587 176.600 0.296 0.000 0.992 65 E CA -1.195 55.312 56.400 0.178 0.000 0.790 65 E CB 2.873 32.659 29.700 0.142 0.000 1.248 65 E HN 0.767 nan 8.360 nan 0.000 0.447 66 R N 0.538 121.185 120.500 0.245 0.000 2.947 66 R HA 0.464 4.804 4.340 -0.000 0.000 0.253 66 R C -0.511 175.952 176.300 0.271 0.000 1.208 66 R CA -0.275 55.976 56.100 0.252 0.000 1.012 66 R CB 0.430 30.778 30.300 0.081 0.000 1.267 66 R HN 0.552 nan 8.270 nan 0.000 0.473 67 D N -0.071 120.454 120.400 0.209 0.000 2.256 67 D HA 0.092 4.732 4.640 -0.000 0.000 0.279 67 D C 1.366 177.721 176.300 0.093 0.000 1.209 67 D CA 0.838 54.943 54.000 0.174 0.000 0.946 67 D CB -0.997 39.901 40.800 0.163 0.000 0.914 67 D HN 0.612 nan 8.370 nan 0.000 0.278 68 G N -1.112 107.694 108.800 0.008 0.000 2.796 68 G HA2 0.178 4.138 3.960 -0.000 0.000 0.210 68 G HA3 0.178 4.138 3.960 -0.000 0.000 0.210 68 G C 0.363 175.177 174.900 -0.144 0.000 1.146 68 G CA 0.039 45.110 45.100 -0.048 0.000 0.779 68 G HN 0.340 nan 8.290 nan 0.000 0.535 69 S N -0.603 114.934 115.700 -0.272 0.000 2.608 69 S HA 0.618 5.088 4.470 -0.000 0.000 0.291 69 S C -0.560 173.673 174.600 -0.613 0.000 1.146 69 S CA -0.443 57.414 58.200 -0.572 0.000 1.043 69 S CB 2.413 64.976 63.200 -1.061 0.000 1.037 69 S HN -0.027 nan 8.310 nan 0.000 0.520 70 V N 2.492 122.086 119.914 -0.533 0.000 2.417 70 V HA 0.385 4.505 4.120 -0.000 0.000 0.291 70 V C -0.842 175.019 176.094 -0.388 0.000 1.024 70 V CA -0.683 61.441 62.300 -0.293 0.000 0.861 70 V CB 1.186 32.912 31.823 -0.162 0.000 0.985 70 V HN 0.789 nan 8.190 nan 0.000 0.436 71 W N 5.249 126.555 121.300 0.010 0.000 2.391 71 W HA 0.589 5.249 4.660 -0.000 0.000 0.311 71 W C -0.770 175.761 176.519 0.021 0.000 1.087 71 W CA -0.599 56.759 57.345 0.022 0.000 1.209 71 W CB 1.678 31.150 29.460 0.020 0.000 1.273 71 W HN 0.290 nan 8.180 nan 0.000 0.482 72 I N 3.244 123.923 120.570 0.183 0.000 2.509 72 I HA 0.175 4.345 4.170 -0.000 0.000 0.293 72 I C -0.585 175.617 176.117 0.141 0.000 1.020 72 I CA -0.496 60.884 61.300 0.133 0.000 1.088 72 I CB 2.075 40.125 38.000 0.084 0.000 1.267 72 I HN 0.271 nan 8.210 nan 0.000 0.430 73 D N 4.966 125.437 120.400 0.118 0.000 2.358 73 D HA 0.488 5.128 4.640 -0.000 0.000 0.253 73 D C -0.026 176.332 176.300 0.098 0.000 1.288 73 D CA -0.276 53.788 54.000 0.105 0.000 0.950 73 D CB 1.664 42.520 40.800 0.094 0.000 1.197 73 D HN 0.602 nan 8.370 nan 0.000 0.550 74 A N 2.451 125.337 122.820 0.109 0.000 2.460 74 A HA 0.134 4.454 4.320 -0.000 0.000 0.258 74 A C 1.805 179.482 177.584 0.155 0.000 1.300 74 A CA 0.456 52.573 52.037 0.134 0.000 0.913 74 A CB -0.232 18.861 19.000 0.155 0.000 1.031 74 A HN 0.474 nan 8.150 nan 0.000 0.512 75 S N 0.363 116.134 115.700 0.119 0.000 2.419 75 S HA -0.191 4.279 4.470 -0.000 0.000 0.235 75 S C 0.926 175.612 174.600 0.143 0.000 1.019 75 S CA 1.681 59.950 58.200 0.116 0.000 0.982 75 S CB -0.612 62.637 63.200 0.081 0.000 0.789 75 S HN 0.706 nan 8.310 nan 0.000 0.490 76 N N 0.586 119.361 118.700 0.124 0.000 2.275 76 N HA 0.299 5.039 4.740 -0.000 0.000 0.236 76 N C -1.080 174.485 175.510 0.092 0.000 1.154 76 N CA -0.280 52.834 53.050 0.108 0.000 0.866 76 N CB 1.058 39.582 38.487 0.061 0.000 1.093 76 N HN 0.110 nan 8.380 nan 0.000 0.515 77 V N 2.837 122.842 119.914 0.152 0.000 2.584 77 V HA -0.095 4.025 4.120 -0.000 0.000 0.303 77 V C 0.652 176.681 176.094 -0.109 0.000 1.035 77 V CA 0.854 63.193 62.300 0.065 0.000 1.172 77 V CB 0.175 32.125 31.823 0.212 0.000 0.896 77 V HN 0.599 nan 8.190 nan 0.000 0.486 78 N N 2.324 120.849 118.700 -0.292 0.000 2.082 78 N HA 0.099 4.839 4.740 -0.000 0.000 0.228 78 N C -0.274 174.655 175.510 -0.969 0.000 1.341 78 N CA -0.401 52.340 53.050 -0.515 0.000 0.873 78 N CB 0.109 38.449 38.487 -0.245 0.000 1.137 78 N HN 0.559 nan 8.380 nan 0.000 0.505 79 N N 0.312 118.505 118.700 -0.844 0.000 2.399 79 N HA 0.327 5.067 4.740 -0.000 0.000 0.280 79 N C -1.464 173.670 175.510 -0.627 0.000 1.008 79 N CA -0.707 51.900 53.050 -0.738 0.000 0.894 79 N CB 0.651 38.945 38.487 -0.321 0.000 1.273 79 N HN 0.007 nan 8.380 nan 0.000 0.486 80 F N 0.827 120.705 119.950 -0.121 0.000 2.750 80 F HA 0.394 4.921 4.527 -0.000 0.000 0.297 80 F C 0.880 176.673 175.800 -0.011 0.000 1.138 80 F CA -0.621 57.329 58.000 -0.082 0.000 1.346 80 F CB -0.186 38.753 39.000 -0.102 0.000 0.965 80 F HN 0.305 nan 8.300 nan 0.000 0.514 81 S N 0.956 116.712 115.700 0.092 0.000 2.521 81 S HA 0.836 5.306 4.470 -0.000 0.000 0.295 81 S C -0.625 174.074 174.600 0.165 0.000 1.098 81 S CA -0.491 57.783 58.200 0.124 0.000 0.999 81 S CB 1.251 64.471 63.200 0.032 0.000 1.034 81 S HN 0.182 nan 8.310 nan 0.000 0.483 82 A N 6.388 129.353 122.820 0.242 0.000 2.322 82 A HA 0.675 4.995 4.320 -0.000 0.000 0.327 82 A C -2.565 175.148 177.584 0.215 0.000 1.394 82 A CA -1.751 50.401 52.037 0.191 0.000 0.921 82 A CB 0.273 19.370 19.000 0.162 0.000 1.153 82 A HN 0.677 nan 8.150 nan 0.000 0.523 83 P HA -0.033 nan 4.420 nan 0.000 0.272 83 P C 0.376 177.712 177.300 0.059 0.000 1.230 83 P CA -0.040 63.162 63.100 0.170 0.000 0.788 83 P CB 0.681 32.476 31.700 0.159 0.000 0.949 84 Y N 2.944 123.191 120.300 -0.088 0.000 2.114 84 Y HA -0.298 4.252 4.550 -0.000 0.000 0.282 84 Y C 2.032 177.902 175.900 -0.050 0.000 1.165 84 Y CA 2.700 60.735 58.100 -0.109 0.000 1.148 84 Y CB -0.835 37.552 38.460 -0.122 0.000 0.972 84 Y HN 0.394 nan 8.280 nan 0.000 0.504 85 D N -0.265 120.091 120.400 -0.072 0.000 2.311 85 D HA -0.212 4.428 4.640 -0.000 0.000 0.212 85 D C 1.800 178.012 176.300 -0.147 0.000 0.972 85 D CA 1.436 55.356 54.000 -0.134 0.000 0.887 85 D CB -0.519 40.291 40.800 0.016 0.000 0.915 85 D HN 0.499 nan 8.370 nan 0.000 0.497 86 L N 0.510 121.671 121.223 -0.103 0.000 2.556 86 L HA 0.042 4.382 4.340 -0.000 0.000 0.226 86 L C 2.285 179.109 176.870 -0.077 0.000 1.089 86 L CA 0.135 54.937 54.840 -0.062 0.000 0.864 86 L CB 0.575 42.633 42.059 -0.001 0.000 1.067 86 L HN 0.011 nan 8.230 nan 0.000 0.477 87 V N -3.135 116.696 119.914 -0.138 0.000 3.621 87 V HA 0.009 4.129 4.120 -0.000 0.000 0.263 87 V C 2.198 178.171 176.094 -0.202 0.000 1.272 87 V CA 0.356 62.583 62.300 -0.122 0.000 1.080 87 V CB -0.105 31.664 31.823 -0.090 0.000 0.816 87 V HN 0.425 nan 8.190 nan 0.000 0.451 88 K N 2.646 122.817 120.400 -0.382 0.000 2.173 88 K HA -0.215 4.105 4.320 -0.000 0.000 0.207 88 K C 1.727 178.198 176.600 -0.215 0.000 1.046 88 K CA 2.378 58.406 56.287 -0.433 0.000 0.929 88 K CB -1.087 30.925 32.500 -0.813 0.000 0.720 88 K HN 0.664 nan 8.250 nan 0.000 0.453 89 T N -2.411 112.048 114.554 -0.158 0.000 3.086 89 T HA 0.223 4.573 4.350 -0.000 0.000 0.250 89 T C 0.492 175.155 174.700 -0.061 0.000 1.074 89 T CA -0.491 61.553 62.100 -0.093 0.000 0.988 89 T CB 0.065 68.888 68.868 -0.076 0.000 0.988 89 T HN 0.261 nan 8.240 nan 0.000 0.530 90 M N 1.563 121.122 119.600 -0.068 0.000 2.098 90 M HA 0.425 4.905 4.480 -0.000 0.000 0.265 90 M C 0.411 176.656 176.300 -0.091 0.000 0.940 90 M CA -0.741 54.529 55.300 -0.051 0.000 1.007 90 M CB 1.282 33.882 32.600 -0.000 0.000 1.823 90 M HN -0.126 nan 8.290 nan 0.000 0.453 91 R N 1.603 122.031 120.500 -0.119 0.000 2.152 91 R HA -0.050 4.290 4.340 -0.000 0.000 0.232 91 R C 1.554 177.673 176.300 -0.302 0.000 1.117 91 R CA 1.394 57.388 56.100 -0.177 0.000 0.981 91 R CB -0.306 29.901 30.300 -0.155 0.000 0.870 91 R HN 0.788 nan 8.270 nan 0.000 0.451 92 A N 1.662 124.292 122.820 -0.315 0.000 2.225 92 A HA -0.126 4.193 4.320 -0.000 0.000 0.215 92 A C 2.121 179.405 177.584 -0.500 0.000 1.164 92 A CA 1.420 53.139 52.037 -0.531 0.000 0.710 92 A CB -0.443 18.386 19.000 -0.284 0.000 0.780 92 A HN 0.418 nan 8.150 nan 0.000 0.473 93 S N -0.359 115.167 115.700 -0.289 0.000 2.507 93 S HA -0.115 4.355 4.470 -0.000 0.000 0.235 93 S C 1.563 175.904 174.600 -0.431 0.000 0.988 93 S CA 0.979 59.027 58.200 -0.253 0.000 0.944 93 S CB -0.537 62.648 63.200 -0.025 0.000 0.762 93 S HN 0.444 nan 8.310 nan 0.000 0.526 94 I N 1.007 121.280 120.570 -0.495 0.000 2.567 94 I HA 0.003 4.173 4.170 -0.000 0.000 0.257 94 I C 1.425 177.269 176.117 -0.456 0.000 1.184 94 I CA 0.415 61.427 61.300 -0.480 0.000 1.451 94 I CB -0.687 36.916 38.000 -0.661 0.000 1.089 94 I HN 0.350 nan 8.210 nan 0.000 0.441 95 W N 0.533 121.397 121.300 -0.726 0.000 2.848 95 W HA 0.087 4.747 4.660 -0.000 0.000 0.241 95 W C 2.223 178.424 176.519 -0.530 0.000 1.289 95 W CA 0.703 57.661 57.345 -0.644 0.000 1.396 95 W CB -1.151 27.898 29.460 -0.687 0.000 1.138 95 W HN 0.309 nan 8.180 nan 0.000 0.677 96 A N -0.745 121.897 122.820 -0.298 0.000 2.081 96 A HA -0.002 4.318 4.320 -0.000 0.000 0.214 96 A C 1.914 179.576 177.584 0.131 0.000 1.158 96 A CA 0.470 52.575 52.037 0.113 0.000 0.724 96 A CB -0.435 18.717 19.000 0.254 0.000 0.826 96 A HN 0.117 nan 8.150 nan 0.000 0.463 97 L N 0.322 121.577 121.223 0.054 0.000 1.994 97 L HA -0.042 4.298 4.340 -0.000 0.000 0.208 97 L C 2.453 179.381 176.870 0.097 0.000 1.071 97 L CA 2.369 57.256 54.840 0.079 0.000 0.745 97 L CB -1.038 41.047 42.059 0.043 0.000 0.892 97 L HN 0.314 nan 8.230 nan 0.000 0.431 98 G N -0.695 108.166 108.800 0.101 0.000 2.459 98 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 98 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 98 G C -0.648 174.305 174.900 0.089 0.000 1.183 98 G CA 0.977 46.134 45.100 0.095 0.000 0.776 98 G HN 0.375 nan 8.290 nan 0.000 0.552 99 P HA -0.028 nan 4.420 nan 0.000 0.216 99 P C 2.073 179.462 177.300 0.149 0.000 1.150 99 P CA 0.684 63.859 63.100 0.124 0.000 0.837 99 P CB -0.082 31.726 31.700 0.180 0.000 0.786 100 L N -1.129 120.214 121.223 0.200 0.000 2.027 100 L HA -0.127 4.213 4.340 -0.000 0.000 0.206 100 L C 2.473 179.424 176.870 0.134 0.000 1.074 100 L CA 1.322 56.319 54.840 0.262 0.000 0.745 100 L CB -1.238 40.959 42.059 0.230 0.000 0.898 100 L HN -0.095 nan 8.230 nan 0.000 0.433 101 V N -0.016 119.938 119.914 0.066 0.000 2.427 101 V HA -0.220 3.900 4.120 -0.000 0.000 0.248 101 V C 2.591 178.675 176.094 -0.017 0.000 1.051 101 V CA 1.760 64.067 62.300 0.011 0.000 1.048 101 V CB -0.049 31.784 31.823 0.018 0.000 0.666 101 V HN 0.415 nan 8.190 nan 0.000 0.456 102 A N 0.039 122.853 122.820 -0.010 0.000 1.898 102 A HA -0.210 4.110 4.320 -0.000 0.000 0.216 102 A C 2.437 179.953 177.584 -0.113 0.000 1.181 102 A CA 2.023 54.032 52.037 -0.046 0.000 0.620 102 A CB -0.554 18.429 19.000 -0.028 0.000 0.819 102 A HN 0.588 nan 8.150 nan 0.000 0.442 103 R N -2.397 117.998 120.500 -0.174 0.000 2.156 103 R HA 0.138 4.478 4.340 -0.000 0.000 0.207 103 R C 1.006 176.931 176.300 -0.626 0.000 1.040 103 R CA 0.954 56.798 56.100 -0.427 0.000 1.013 103 R CB -0.031 29.915 30.300 -0.591 0.000 0.931 103 R HN 0.491 nan 8.270 nan 0.000 0.465 104 F N -1.409 118.429 119.950 -0.186 0.000 2.724 104 F HA 0.382 4.909 4.527 -0.000 0.000 0.306 104 F C 1.379 176.997 175.800 -0.303 0.000 1.100 104 F CA 0.395 58.201 58.000 -0.323 0.000 1.255 104 F CB 1.447 40.001 39.000 -0.744 0.000 1.072 104 F HN 0.256 nan 8.300 nan 0.000 0.589 105 G N 0.990 109.747 108.800 -0.072 0.000 2.175 105 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.244 105 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.244 105 G C -0.035 174.823 174.900 -0.071 0.000 0.982 105 G CA 0.239 45.300 45.100 -0.065 0.000 0.641 105 G HN 0.500 nan 8.290 nan 0.000 0.527 106 Q N -1.839 117.890 119.800 -0.118 0.000 2.702 106 Q HA 0.653 4.993 4.340 -0.000 0.000 0.289 106 Q C -0.403 175.560 176.000 -0.062 0.000 0.923 106 Q CA -0.595 55.162 55.803 -0.077 0.000 0.787 106 Q CB 1.430 30.134 28.738 -0.057 0.000 1.476 106 Q HN 1.757 nan 8.270 nan 0.000 0.402 107 G N 0.560 109.384 108.800 0.040 0.000 2.387 107 G HA2 0.488 4.448 3.960 -0.000 0.000 0.294 107 G HA3 0.488 4.448 3.960 -0.000 0.000 0.294 107 G C -2.233 172.734 174.900 0.112 0.000 1.509 107 G CA -0.474 44.696 45.100 0.117 0.000 0.806 107 G HN 0.846 nan 8.290 nan 0.000 0.546 108 Q N -1.056 118.831 119.800 0.145 0.000 2.353 108 Q HA 0.712 5.052 4.340 -0.000 0.000 0.275 108 Q C -1.792 174.378 176.000 0.283 0.000 1.029 108 Q CA -1.139 54.770 55.803 0.177 0.000 0.848 108 Q CB 2.721 31.502 28.738 0.071 0.000 1.390 108 Q HN 0.594 nan 8.270 nan 0.000 0.401 109 V N 1.472 121.564 119.914 0.296 0.000 2.483 109 V HA 0.377 4.497 4.120 -0.000 0.000 0.297 109 V C -0.048 176.098 176.094 0.087 0.000 1.027 109 V CA -0.716 61.704 62.300 0.200 0.000 0.855 109 V CB 1.676 33.533 31.823 0.056 0.000 0.995 109 V HN 0.912 nan 8.190 nan 0.000 0.424 110 S N 5.353 120.935 115.700 -0.196 0.000 2.546 110 S HA 0.254 4.724 4.470 -0.000 0.000 0.290 110 S C -0.404 174.055 174.600 -0.235 0.000 1.290 110 S CA 0.017 57.818 58.200 -0.666 0.000 1.069 110 S CB -0.010 62.879 63.200 -0.518 0.000 0.846 110 S HN 0.688 nan 8.310 nan 0.000 0.495 111 L N 7.726 128.837 121.223 -0.185 0.000 2.462 111 L HA 0.425 4.765 4.340 -0.000 0.000 0.255 111 L C -2.318 174.533 176.870 -0.032 0.000 1.076 111 L CA -2.010 52.787 54.840 -0.072 0.000 0.920 111 L CB 1.847 43.882 42.059 -0.041 0.000 1.214 111 L HN 0.587 nan 8.230 nan 0.000 0.472 112 P HA 0.157 nan 4.420 nan 0.000 0.271 112 P C 0.725 178.035 177.300 0.016 0.000 1.226 112 P CA 0.706 63.835 63.100 0.049 0.000 0.765 112 P CB 1.154 32.969 31.700 0.192 0.000 0.835 113 G N 2.368 111.169 108.800 0.001 0.000 2.155 113 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.257 113 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.257 113 G C 0.585 175.485 174.900 0.001 0.000 0.983 113 G CA -0.009 45.092 45.100 0.001 0.000 0.676 113 G HN 0.897 nan 8.290 nan 0.000 0.528 117 I N 1.375 121.950 120.570 0.008 0.000 2.090 117 I HA -0.070 4.100 4.170 -0.000 0.000 0.236 117 I C 2.000 178.121 176.117 0.007 0.000 1.064 117 I CA 1.650 62.955 61.300 0.008 0.000 1.324 117 I CB -0.493 37.511 38.000 0.006 0.000 1.044 117 I HN 0.835 nan 8.210 nan 0.000 0.399 118 G N 0.611 109.414 108.800 0.005 0.000 2.647 118 G HA2 0.278 4.238 3.960 -0.000 0.000 0.234 118 G HA3 0.278 4.238 3.960 -0.000 0.000 0.234 118 G C -0.031 174.871 174.900 0.003 0.000 1.252 118 G CA 0.018 45.119 45.100 0.003 0.000 0.846 118 G HN 0.486 nan 8.290 nan 0.000 0.589 119 A N 1.936 124.755 122.820 -0.001 0.000 2.488 119 A HA 0.539 4.859 4.320 -0.000 0.000 0.249 119 A C 0.678 178.262 177.584 0.000 0.000 1.083 119 A CA -0.022 52.014 52.037 -0.003 0.000 0.768 119 A CB 0.297 19.288 19.000 -0.014 0.000 1.017 119 A HN 0.574 nan 8.150 nan 0.000 0.496 120 R N 2.102 122.605 120.500 0.006 0.000 2.832 120 R HA 0.402 4.742 4.340 -0.000 0.000 0.271 120 R C -2.230 174.078 176.300 0.014 0.000 0.996 120 R CA -2.324 53.782 56.100 0.009 0.000 0.977 120 R CB 0.551 30.859 30.300 0.013 0.000 1.168 120 R HN 0.364 nan 8.270 nan 0.000 0.482 121 P HA -0.116 nan 4.420 nan 0.000 0.219 121 P C 1.334 178.688 177.300 0.089 0.000 1.146 121 P CA 0.598 63.714 63.100 0.027 0.000 0.808 121 P CB 0.369 32.080 31.700 0.018 0.000 0.779 122 V N 0.353 120.319 119.914 0.086 0.000 2.490 122 V HA -0.242 3.878 4.120 -0.000 0.000 0.250 122 V C 1.520 177.694 176.094 0.134 0.000 1.061 122 V CA 2.142 64.521 62.300 0.131 0.000 1.064 122 V CB -0.970 30.886 31.823 0.055 0.000 0.670 122 V HN 0.071 nan 8.190 nan 0.000 0.461 123 D N -0.025 120.421 120.400 0.076 0.000 2.149 123 D HA -0.161 4.479 4.640 -0.000 0.000 0.198 123 D C 1.966 178.313 176.300 0.077 0.000 0.990 123 D CA 1.189 55.232 54.000 0.071 0.000 0.839 123 D CB -0.265 40.557 40.800 0.037 0.000 0.948 123 D HN 0.375 nan 8.370 nan 0.000 0.460 124 L N 0.652 121.878 121.223 0.005 0.000 2.083 124 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 124 L C 2.285 179.129 176.870 -0.043 0.000 1.083 124 L CA 1.444 56.242 54.840 -0.071 0.000 0.752 124 L CB -1.001 40.941 42.059 -0.195 0.000 0.899 124 L HN 0.231 nan 8.230 nan 0.000 0.433 125 H N -1.033 118.096 119.070 0.099 0.000 2.395 125 H HA 0.030 4.586 4.556 -0.000 0.000 0.299 125 H C 2.423 177.814 175.328 0.105 0.000 1.070 125 H CA 1.390 57.501 56.048 0.104 0.000 1.356 125 H CB 0.103 29.897 29.762 0.054 0.000 1.401 125 H HN 0.305 nan 8.280 nan 0.000 0.524 126 I N 0.412 121.103 120.570 0.201 0.000 2.226 126 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 126 I C 2.530 178.724 176.117 0.128 0.000 1.100 126 I CA 1.148 62.532 61.300 0.141 0.000 1.374 126 I CB -0.392 37.679 38.000 0.119 0.000 1.057 126 I HN 0.061 nan 8.210 nan 0.000 0.413 127 F N 1.914 121.873 119.950 0.016 0.000 2.095 127 F HA -0.159 4.368 4.527 -0.000 0.000 0.298 127 F C 2.286 178.087 175.800 0.001 0.000 1.104 127 F CA 1.811 59.811 58.000 -0.000 0.000 1.232 127 F CB -0.808 38.180 39.000 -0.019 0.000 0.987 127 F HN -0.016 nan 8.300 nan 0.000 0.475 128 G N 0.883 109.723 108.800 0.065 0.000 2.418 128 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 128 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 128 G C 1.712 176.545 174.900 -0.112 0.000 1.158 128 G CA 1.153 46.217 45.100 -0.060 0.000 0.771 128 G HN 0.458 nan 8.290 nan 0.000 0.545 129 L N -0.023 121.183 121.223 -0.028 0.000 2.179 129 L HA 0.046 4.386 4.340 -0.000 0.000 0.208 129 L C 2.865 179.691 176.870 -0.073 0.000 1.096 129 L CA 0.612 55.437 54.840 -0.025 0.000 0.779 129 L CB -0.292 41.786 42.059 0.031 0.000 0.922 129 L HN 0.135 nan 8.230 nan 0.000 0.443 130 E N 0.566 120.705 120.200 -0.102 0.000 2.077 130 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 130 E C 2.123 178.623 176.600 -0.166 0.000 0.989 130 E CA 0.934 57.268 56.400 -0.110 0.000 0.800 130 E CB -0.046 29.597 29.700 -0.094 0.000 0.746 130 E HN 0.336 nan 8.360 nan 0.000 0.452 131 K N 0.649 120.868 120.400 -0.301 0.000 2.103 131 K HA -0.093 4.227 4.320 -0.000 0.000 0.207 131 K C 2.186 178.685 176.600 -0.168 0.000 1.048 131 K CA 0.662 56.764 56.287 -0.308 0.000 0.930 131 K CB -0.404 31.790 32.500 -0.510 0.000 0.716 131 K HN 0.225 nan 8.250 nan 0.000 0.444 132 L N -0.274 120.869 121.223 -0.133 0.000 2.599 132 L HA 0.023 4.363 4.340 -0.000 0.000 0.230 132 L C 1.111 177.946 176.870 -0.059 0.000 1.141 132 L CA 0.565 55.358 54.840 -0.078 0.000 0.877 132 L CB -0.197 41.829 42.059 -0.056 0.000 1.009 132 L HN 0.439 nan 8.230 nan 0.000 0.447 133 G N -0.560 108.201 108.800 -0.064 0.000 2.184 133 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.206 133 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.206 133 G C 0.274 175.154 174.900 -0.034 0.000 0.995 133 G CA -0.132 44.941 45.100 -0.045 0.000 0.651 133 G HN 0.435 nan 8.290 nan 0.000 0.511 134 A N 0.037 122.837 122.820 -0.033 0.000 2.302 134 A HA 0.724 5.044 4.320 -0.000 0.000 0.285 134 A C 0.211 177.787 177.584 -0.012 0.000 1.105 134 A CA -0.194 51.833 52.037 -0.018 0.000 0.816 134 A CB 0.526 19.521 19.000 -0.008 0.000 1.067 134 A HN 0.402 nan 8.150 nan 0.000 0.489 135 E N 1.242 121.440 120.200 -0.003 0.000 2.174 135 E HA 0.429 4.779 4.350 -0.000 0.000 0.282 135 E C -0.946 175.663 176.600 0.014 0.000 0.992 135 E CA -0.416 55.986 56.400 0.003 0.000 0.803 135 E CB 1.298 31.000 29.700 0.003 0.000 1.090 135 E HN 0.413 nan 8.360 nan 0.000 0.396 136 I N 2.713 123.295 120.570 0.020 0.000 2.474 136 I HA 0.365 4.535 4.170 -0.000 0.000 0.294 136 I C -0.070 176.068 176.117 0.036 0.000 1.005 136 I CA -0.728 60.592 61.300 0.033 0.000 1.113 136 I CB 1.383 39.408 38.000 0.042 0.000 1.289 136 I HN 0.395 nan 8.210 nan 0.000 0.436 137 K N 5.689 126.114 120.400 0.042 0.000 2.427 137 K HA 0.555 4.875 4.320 -0.000 0.000 0.252 137 K C -1.377 175.257 176.600 0.057 0.000 0.931 137 K CA -0.908 55.404 56.287 0.042 0.000 0.793 137 K CB 2.958 35.479 32.500 0.034 0.000 1.211 137 K HN 0.282 nan 8.250 nan 0.000 0.426 138 L N 3.940 125.195 121.223 0.054 0.000 2.264 138 L HA 0.354 4.694 4.340 -0.000 0.000 0.287 138 L C -0.081 176.826 176.870 0.062 0.000 1.039 138 L CA 0.091 54.968 54.840 0.062 0.000 0.829 138 L CB 0.173 42.261 42.059 0.049 0.000 1.211 138 L HN 0.825 nan 8.230 nan 0.000 0.427 139 E N 1.720 121.972 120.200 0.086 0.000 2.375 139 E HA 0.373 4.723 4.350 -0.000 0.000 0.280 139 E C -0.725 175.946 176.600 0.120 0.000 0.972 139 E CA -0.776 55.670 56.400 0.077 0.000 0.782 139 E CB 1.466 31.197 29.700 0.052 0.000 1.229 139 E HN 0.432 nan 8.360 nan 0.000 0.439 140 E N 0.497 120.755 120.200 0.096 0.000 2.722 140 E HA -0.295 4.055 4.350 -0.000 0.000 0.265 140 E C 0.631 177.348 176.600 0.196 0.000 1.081 140 E CA 0.749 57.225 56.400 0.126 0.000 0.781 140 E CB -1.768 28.003 29.700 0.119 0.000 1.372 140 E HN 1.213 nan 8.360 nan 0.000 0.423 141 G N -1.037 107.833 108.800 0.117 0.000 2.147 141 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.244 141 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.244 141 G C -0.333 174.563 174.900 -0.006 0.000 1.005 141 G CA 0.700 45.820 45.100 0.034 0.000 0.713 141 G HN 0.326 nan 8.290 nan 0.000 0.515 142 Y N -1.847 118.467 120.300 0.023 0.000 2.536 142 Y HA 0.605 5.155 4.550 -0.000 0.000 0.347 142 Y C 0.225 176.141 175.900 0.027 0.000 1.000 142 Y CA -0.867 57.252 58.100 0.031 0.000 1.051 142 Y CB 2.352 40.833 38.460 0.035 0.000 1.259 142 Y HN 0.272 nan 8.280 nan 0.000 0.468 143 V N 4.626 124.658 119.914 0.196 0.000 2.383 143 V HA 0.468 4.588 4.120 -0.000 0.000 0.275 143 V C -1.005 175.179 176.094 0.150 0.000 1.036 143 V CA -0.531 61.846 62.300 0.128 0.000 0.889 143 V CB 0.468 32.335 31.823 0.073 0.000 0.985 143 V HN 0.716 nan 8.190 nan 0.000 0.459 144 K N 5.632 126.098 120.400 0.111 0.000 2.207 144 K HA 0.882 5.202 4.320 -0.000 0.000 0.255 144 K C -0.706 175.929 176.600 0.059 0.000 0.941 144 K CA -0.498 55.837 56.287 0.080 0.000 0.825 144 K CB 2.239 34.769 32.500 0.049 0.000 1.119 144 K HN 0.805 nan 8.250 nan 0.000 0.430 145 A N 1.065 123.915 122.820 0.051 0.000 2.498 145 A HA 0.790 5.110 4.320 -0.000 0.000 0.298 145 A C -1.110 176.487 177.584 0.021 0.000 1.075 145 A CA -0.669 51.390 52.037 0.037 0.000 0.714 145 A CB 1.677 20.703 19.000 0.044 0.000 1.299 145 A HN 0.730 nan 8.150 nan 0.000 0.407 146 S N -0.673 115.033 115.700 0.010 0.000 2.567 146 S HA 0.734 5.204 4.470 -0.000 0.000 0.270 146 S C -1.500 173.096 174.600 -0.007 0.000 1.152 146 S CA -0.267 57.932 58.200 -0.002 0.000 0.835 146 S CB 1.066 64.266 63.200 -0.000 0.000 1.115 146 S HN 2.245 nan 8.310 nan 0.000 0.459 147 V N 1.061 120.966 119.914 -0.014 0.000 2.888 147 V HA 0.571 4.691 4.120 -0.000 0.000 0.309 147 V C -1.543 174.541 176.094 -0.017 0.000 1.114 147 V CA -0.863 61.427 62.300 -0.017 0.000 0.940 147 V CB 1.977 33.787 31.823 -0.022 0.000 1.021 147 V HN 1.057 nan 8.190 nan 0.000 0.426 148 N N 5.049 123.741 118.700 -0.015 0.000 2.401 148 N HA 0.571 5.311 4.740 -0.000 0.000 0.255 148 N C 0.576 176.076 175.510 -0.017 0.000 1.110 148 N CA 0.636 53.678 53.050 -0.013 0.000 0.949 148 N CB 1.180 39.661 38.487 -0.010 0.000 1.110 148 N HN 1.330 nan 8.380 nan 0.000 0.490 149 G N 2.264 111.053 108.800 -0.018 0.000 2.527 149 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.262 149 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.262 149 G C -0.408 174.473 174.900 -0.031 0.000 1.153 149 G CA -0.482 44.604 45.100 -0.022 0.000 0.954 149 G HN 0.538 nan 8.290 nan 0.000 0.552 150 R N -0.646 119.834 120.500 -0.033 0.000 2.873 150 R HA 0.696 5.036 4.340 -0.000 0.000 0.264 150 R C 0.422 176.701 176.300 -0.036 0.000 1.026 150 R CA -0.972 55.103 56.100 -0.041 0.000 1.002 150 R CB 1.201 31.474 30.300 -0.045 0.000 1.174 150 R HN 0.474 nan 8.270 nan 0.000 0.488 151 L N 1.272 122.472 121.223 -0.038 0.000 2.479 151 L HA 0.144 4.484 4.340 -0.000 0.000 0.270 151 L C 0.310 177.161 176.870 -0.032 0.000 1.236 151 L CA 0.408 55.228 54.840 -0.034 0.000 0.823 151 L CB 0.128 42.167 42.059 -0.033 0.000 1.098 151 L HN 0.453 nan 8.230 nan 0.000 0.500 152 K N 0.370 120.752 120.400 -0.031 0.000 2.397 152 K HA 0.452 4.772 4.320 -0.000 0.000 0.253 152 K C -0.203 176.381 176.600 -0.026 0.000 0.932 152 K CA -0.620 55.651 56.287 -0.027 0.000 0.795 152 K CB 1.734 34.219 32.500 -0.024 0.000 1.159 152 K HN 0.629 nan 8.250 nan 0.000 0.424 153 G N 1.783 110.571 108.800 -0.019 0.000 2.484 153 G HA2 0.405 4.365 3.960 -0.000 0.000 0.235 153 G HA3 0.405 4.365 3.960 -0.000 0.000 0.235 153 G C -0.721 174.176 174.900 -0.006 0.000 1.282 153 G CA 0.085 45.178 45.100 -0.012 0.000 0.857 153 G HN 0.740 nan 8.290 nan 0.000 0.571 154 A N 1.042 123.864 122.820 0.002 0.000 2.609 154 A HA 0.613 4.933 4.320 -0.000 0.000 0.291 154 A C -1.128 176.496 177.584 0.067 0.000 1.096 154 A CA -0.771 51.278 52.037 0.020 0.000 0.684 154 A CB 1.373 20.360 19.000 -0.022 0.000 1.282 154 A HN 1.007 nan 8.150 nan 0.000 0.412 155 H N 0.562 119.623 119.070 -0.015 0.000 2.652 155 H HA 0.671 5.227 4.556 -0.000 0.000 0.298 155 H C -0.914 174.420 175.328 0.010 0.000 1.076 155 H CA -0.188 55.861 56.048 0.001 0.000 1.360 155 H CB 0.089 29.854 29.762 0.005 0.000 1.421 155 H HN 0.444 nan 8.280 nan 0.000 0.464 156 I N 6.024 126.446 120.570 -0.248 0.000 2.436 156 I HA 0.247 4.417 4.170 -0.000 0.000 0.289 156 I C -0.726 175.288 176.117 -0.171 0.000 1.010 156 I CA -1.138 60.075 61.300 -0.146 0.000 1.098 156 I CB 2.011 39.981 38.000 -0.049 0.000 1.266 156 I HN 0.300 nan 8.210 nan 0.000 0.434 157 V N 6.881 126.771 119.914 -0.041 0.000 2.384 157 V HA 0.411 4.531 4.120 -0.000 0.000 0.287 157 V C 0.102 176.214 176.094 0.031 0.000 1.020 157 V CA -0.485 61.790 62.300 -0.042 0.000 0.850 157 V CB 1.562 33.358 31.823 -0.045 0.000 0.987 157 V HN 0.649 nan 8.190 nan 0.000 0.436 158 M N 3.470 123.056 119.600 -0.024 0.000 2.063 158 M HA 0.317 4.797 4.480 -0.000 0.000 0.348 158 M C 0.448 176.678 176.300 -0.115 0.000 1.180 158 M CA -0.537 54.703 55.300 -0.099 0.000 1.059 158 M CB 1.031 33.597 32.600 -0.057 0.000 1.544 158 M HN 0.636 nan 8.290 nan 0.000 0.447 159 D N 1.321 121.619 120.400 -0.169 0.000 2.178 159 D HA -0.085 4.555 4.640 -0.000 0.000 0.201 159 D C 0.403 176.637 176.300 -0.110 0.000 0.980 159 D CA 1.391 55.314 54.000 -0.128 0.000 0.842 159 D CB 0.223 40.931 40.800 -0.153 0.000 0.948 159 D HN 0.410 nan 8.370 nan 0.000 0.472 160 K N 0.056 120.378 120.400 -0.130 0.000 2.426 160 K HA 0.417 4.737 4.320 -0.000 0.000 0.251 160 K C -1.366 175.178 176.600 -0.093 0.000 0.941 160 K CA -0.808 55.416 56.287 -0.105 0.000 0.808 160 K CB 2.458 34.889 32.500 -0.115 0.000 1.265 160 K HN -0.244 nan 8.250 nan 0.000 0.432 161 V N 2.168 122.040 119.914 -0.070 0.000 2.572 161 V HA 0.167 4.287 4.120 -0.000 0.000 0.291 161 V C -0.032 176.035 176.094 -0.045 0.000 1.039 161 V CA 0.081 62.352 62.300 -0.048 0.000 1.055 161 V CB 1.141 32.945 31.823 -0.031 0.000 0.969 161 V HN 0.707 nan 8.190 nan 0.000 0.482 162 S N 3.791 119.473 115.700 -0.029 0.000 2.733 162 S HA 0.366 4.836 4.470 -0.000 0.000 0.294 162 S C 0.434 175.054 174.600 0.033 0.000 1.149 162 S CA -0.595 57.596 58.200 -0.015 0.000 1.034 162 S CB 1.758 64.923 63.200 -0.058 0.000 1.015 162 S HN 0.364 nan 8.310 nan 0.000 0.486 163 V N 5.412 125.368 119.914 0.071 0.000 2.295 163 V HA -0.025 4.095 4.120 -0.000 0.000 0.246 163 V C 2.640 178.876 176.094 0.237 0.000 1.049 163 V CA 2.644 65.021 62.300 0.128 0.000 1.024 163 V CB -1.132 30.778 31.823 0.145 0.000 0.648 163 V HN 0.949 nan 8.190 nan 0.000 0.447 164 G N -0.376 108.578 108.800 0.256 0.000 2.459 164 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.217 164 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.217 164 G C 1.762 176.875 174.900 0.355 0.000 1.183 164 G CA 1.145 46.505 45.100 0.433 0.000 0.776 164 G HN 0.622 nan 8.290 nan 0.000 0.552 165 A N -0.082 122.710 122.820 -0.047 0.000 1.969 165 A HA 0.031 4.351 4.320 -0.000 0.000 0.218 165 A C 2.515 180.147 177.584 0.081 0.000 1.169 165 A CA 2.361 54.340 52.037 -0.097 0.000 0.635 165 A CB -0.829 18.097 19.000 -0.124 0.000 0.810 165 A HN 0.310 nan 8.150 nan 0.000 0.445 166 T N -0.336 114.269 114.554 0.086 0.000 2.746 166 T HA -0.121 4.229 4.350 -0.000 0.000 0.267 166 T C 1.875 176.612 174.700 0.062 0.000 1.039 166 T CA 1.593 63.733 62.100 0.067 0.000 1.142 166 T CB -0.378 68.520 68.868 0.049 0.000 0.866 166 T HN 0.165 nan 8.240 nan 0.000 0.444 167 V N 1.413 121.378 119.914 0.086 0.000 2.295 167 V HA -0.189 3.931 4.120 -0.000 0.000 0.246 167 V C 2.802 178.888 176.094 -0.014 0.000 1.049 167 V CA 2.035 64.299 62.300 -0.060 0.000 1.024 167 V CB -1.132 30.492 31.823 -0.332 0.000 0.648 167 V HN 0.509 nan 8.190 nan 0.000 0.447 168 T N 0.397 115.070 114.554 0.197 0.000 2.652 168 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 168 T C 1.802 176.577 174.700 0.125 0.000 1.039 168 T CA 2.041 64.288 62.100 0.246 0.000 1.153 168 T CB -0.302 68.852 68.868 0.476 0.000 0.863 168 T HN 0.338 nan 8.240 nan 0.000 0.428 169 I N 0.688 121.321 120.570 0.104 0.000 2.202 169 I HA -0.165 4.005 4.170 -0.000 0.000 0.242 169 I C 2.601 178.732 176.117 0.024 0.000 1.091 169 I CA 1.319 62.652 61.300 0.055 0.000 1.368 169 I CB -0.395 37.637 38.000 0.053 0.000 1.058 169 I HN 0.268 nan 8.210 nan 0.000 0.410 170 M N 0.335 119.945 119.600 0.016 0.000 2.132 170 M HA -0.196 4.284 4.480 -0.000 0.000 0.263 170 M C 2.437 178.726 176.300 -0.017 0.000 1.065 170 M CA 1.889 57.185 55.300 -0.006 0.000 1.122 170 M CB -0.003 32.589 32.600 -0.014 0.000 1.365 170 M HN 0.087 nan 8.290 nan 0.000 0.411 171 S N 0.844 116.531 115.700 -0.022 0.000 2.356 171 S HA -0.057 4.413 4.470 -0.000 0.000 0.223 171 S C 2.027 176.622 174.600 -0.009 0.000 1.032 171 S CA 1.359 59.545 58.200 -0.023 0.000 1.005 171 S CB -0.521 62.660 63.200 -0.032 0.000 0.867 171 S HN 0.694 nan 8.310 nan 0.000 0.449 172 A N 1.353 124.177 122.820 0.008 0.000 1.969 172 A HA 0.220 4.540 4.320 -0.000 0.000 0.218 172 A C 2.278 179.854 177.584 -0.014 0.000 1.169 172 A CA 1.469 53.509 52.037 0.005 0.000 0.635 172 A CB -0.890 18.124 19.000 0.023 0.000 0.810 172 A HN 0.501 nan 8.150 nan 0.000 0.445 173 A N 0.001 122.813 122.820 -0.013 0.000 2.070 173 A HA -0.071 4.249 4.320 -0.000 0.000 0.220 173 A C 2.305 179.872 177.584 -0.029 0.000 1.159 173 A CA 2.181 54.206 52.037 -0.021 0.000 0.656 173 A CB -1.350 17.641 19.000 -0.015 0.000 0.800 173 A HN 0.802 nan 8.150 nan 0.000 0.453 174 T N -2.248 112.285 114.554 -0.035 0.000 2.929 174 T HA -0.013 4.337 4.350 -0.000 0.000 0.271 174 T C 1.252 175.920 174.700 -0.053 0.000 1.085 174 T CA 1.479 63.551 62.100 -0.047 0.000 1.125 174 T CB -0.326 68.506 68.868 -0.060 0.000 0.874 174 T HN 0.343 nan 8.240 nan 0.000 0.494 175 L N 0.154 121.346 121.223 -0.052 0.000 2.808 175 L HA 0.547 4.887 4.340 -0.000 0.000 0.246 175 L C 1.409 178.247 176.870 -0.054 0.000 1.153 175 L CA -0.527 54.276 54.840 -0.062 0.000 0.956 175 L CB -0.165 41.846 42.059 -0.080 0.000 1.270 175 L HN 0.282 nan 8.230 nan 0.000 0.528 176 A N 0.543 123.338 122.820 -0.043 0.000 2.327 176 A HA 0.270 4.590 4.320 -0.000 0.000 0.255 176 A C 0.113 177.676 177.584 -0.034 0.000 1.099 176 A CA -0.133 51.882 52.037 -0.037 0.000 0.801 176 A CB 0.230 19.212 19.000 -0.031 0.000 1.062 176 A HN 0.291 nan 8.150 nan 0.000 0.496 177 E N 0.037 120.219 120.200 -0.031 0.000 2.115 177 E HA 0.486 4.836 4.350 -0.000 0.000 0.282 177 E C 0.442 177.029 176.600 -0.022 0.000 0.987 177 E CA 0.419 56.803 56.400 -0.027 0.000 0.797 177 E CB 0.959 30.643 29.700 -0.026 0.000 1.086 177 E HN 1.287 nan 8.360 nan 0.000 0.397 178 G N 2.562 111.350 108.800 -0.020 0.000 2.500 178 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.209 178 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.209 178 G C -0.533 174.360 174.900 -0.012 0.000 1.283 178 G CA -0.866 44.226 45.100 -0.015 0.000 0.960 178 G HN 0.432 nan 8.290 nan 0.000 0.528 179 T N 1.053 115.604 114.554 -0.006 0.000 2.824 179 T HA 0.705 5.055 4.350 -0.000 0.000 0.280 179 T C -0.011 174.696 174.700 0.012 0.000 0.995 179 T CA 0.235 62.336 62.100 0.001 0.000 1.009 179 T CB 1.569 70.439 68.868 0.003 0.000 0.955 179 T HN 0.741 nan 8.240 nan 0.000 0.452 180 T N 3.468 118.030 114.554 0.013 0.000 2.855 180 T HA 0.651 5.001 4.350 -0.000 0.000 0.281 180 T C -0.369 174.356 174.700 0.041 0.000 1.007 180 T CA -0.514 61.600 62.100 0.022 0.000 1.009 180 T CB 0.652 69.522 68.868 0.003 0.000 0.983 180 T HN 0.406 nan 8.240 nan 0.000 0.455 181 I N 3.440 124.053 120.570 0.072 0.000 2.447 181 I HA 0.436 4.606 4.170 -0.000 0.000 0.287 181 I C -0.623 175.507 176.117 0.021 0.000 1.023 181 I CA -0.753 60.602 61.300 0.091 0.000 1.083 181 I CB 1.713 39.852 38.000 0.232 0.000 1.245 181 I HN 0.451 nan 8.210 nan 0.000 0.434 182 I N 5.994 126.569 120.570 0.008 0.000 2.312 182 I HA 0.270 4.440 4.170 -0.000 0.000 0.290 182 I C 0.080 176.185 176.117 -0.021 0.000 1.008 182 I CA -0.548 60.742 61.300 -0.016 0.000 1.226 182 I CB 0.864 38.869 38.000 0.007 0.000 1.371 182 I HN 0.461 nan 8.210 nan 0.000 0.468 183 E N 5.974 126.135 120.200 -0.065 0.000 2.216 183 E HA 0.154 4.504 4.350 -0.000 0.000 0.279 183 E C 0.065 176.650 176.600 -0.024 0.000 0.997 183 E CA -0.429 55.947 56.400 -0.041 0.000 0.817 183 E CB 1.513 31.163 29.700 -0.083 0.000 1.096 183 E HN 0.647 nan 8.360 nan 0.000 0.393 184 N N 0.566 119.260 118.700 -0.009 0.000 2.754 184 N HA -0.216 4.524 4.740 -0.000 0.000 0.248 184 N C -0.622 174.884 175.510 -0.007 0.000 1.093 184 N CA 0.146 53.190 53.050 -0.010 0.000 0.699 184 N CB -0.384 38.089 38.487 -0.024 0.000 1.016 184 N HN 0.569 nan 8.380 nan 0.000 0.552 185 A N 0.411 123.233 122.820 0.003 0.000 2.425 185 A HA 0.598 4.918 4.320 -0.000 0.000 0.242 185 A C 0.930 178.523 177.584 0.015 0.000 1.077 185 A CA 0.436 52.480 52.037 0.011 0.000 0.781 185 A CB 0.522 19.531 19.000 0.015 0.000 1.020 185 A HN 0.594 nan 8.150 nan 0.000 0.494 186 A N 1.240 124.072 122.820 0.020 0.000 2.498 186 A HA 0.380 4.700 4.320 -0.000 0.000 0.239 186 A C 1.012 178.616 177.584 0.033 0.000 1.068 186 A CA 0.029 52.082 52.037 0.027 0.000 0.766 186 A CB -0.008 19.012 19.000 0.034 0.000 1.003 186 A HN 0.848 nan 8.150 nan 0.000 0.497 187 R N 0.745 121.275 120.500 0.050 0.000 2.397 187 R HA 0.105 4.445 4.340 -0.000 0.000 0.241 187 R C -0.438 175.904 176.300 0.069 0.000 0.914 187 R CA -0.257 55.889 56.100 0.077 0.000 1.071 187 R CB 0.135 30.502 30.300 0.112 0.000 1.116 187 R HN 0.770 nan 8.270 nan 0.000 0.524 188 E N 1.842 122.037 120.200 -0.009 0.000 2.565 188 E HA -0.093 4.257 4.350 -0.000 0.000 0.268 188 E C -1.708 174.784 176.600 -0.180 0.000 1.000 188 E CA -0.660 55.635 56.400 -0.175 0.000 0.964 188 E CB 0.374 30.011 29.700 -0.105 0.000 0.955 188 E HN -0.101 nan 8.360 nan 0.000 0.459 189 P HA -0.159 nan 4.420 nan 0.000 0.218 189 P C 0.353 177.606 177.300 -0.078 0.000 1.148 189 P CA 1.171 64.177 63.100 -0.156 0.000 0.822 189 P CB 0.291 31.878 31.700 -0.187 0.000 0.784 190 E N -0.938 119.211 120.200 -0.085 0.000 2.110 190 E HA -0.128 4.222 4.350 -0.000 0.000 0.193 190 E C 1.951 178.523 176.600 -0.047 0.000 0.988 190 E CA 0.819 57.189 56.400 -0.050 0.000 0.804 190 E CB -0.888 28.792 29.700 -0.034 0.000 0.745 190 E HN 0.186 nan 8.360 nan 0.000 0.458 191 I N 0.180 120.725 120.570 -0.042 0.000 2.226 191 I HA -0.191 3.979 4.170 -0.000 0.000 0.245 191 I C 2.116 178.220 176.117 -0.022 0.000 1.100 191 I CA 0.919 62.199 61.300 -0.033 0.000 1.374 191 I CB -0.878 37.115 38.000 -0.012 0.000 1.057 191 I HN 0.022 nan 8.210 nan 0.000 0.413 192 V N 0.921 120.830 119.914 -0.008 0.000 2.343 192 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 192 V C 2.248 178.362 176.094 0.033 0.000 1.051 192 V CA 2.062 64.370 62.300 0.014 0.000 1.036 192 V CB -0.606 31.232 31.823 0.026 0.000 0.654 192 V HN 0.319 nan 8.190 nan 0.000 0.451 193 D N -0.431 119.993 120.400 0.040 0.000 2.144 193 D HA -0.126 4.514 4.640 -0.000 0.000 0.200 193 D C 2.242 178.559 176.300 0.028 0.000 0.978 193 D CA 1.573 55.637 54.000 0.107 0.000 0.833 193 D CB -0.044 40.821 40.800 0.109 0.000 0.961 193 D HN 0.393 nan 8.370 nan 0.000 0.470 194 T N -0.374 114.160 114.554 -0.032 0.000 2.737 194 T HA -0.089 4.261 4.350 -0.000 0.000 0.265 194 T C 1.946 176.627 174.700 -0.032 0.000 1.038 194 T CA 1.434 63.496 62.100 -0.063 0.000 1.144 194 T CB -0.455 68.340 68.868 -0.121 0.000 0.866 194 T HN 0.206 nan 8.240 nan 0.000 0.434 195 A N 2.619 125.417 122.820 -0.036 0.000 1.883 195 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 195 A C 2.234 179.784 177.584 -0.058 0.000 1.186 195 A CA 1.636 53.650 52.037 -0.039 0.000 0.624 195 A CB -0.688 18.300 19.000 -0.020 0.000 0.822 195 A HN 0.395 nan 8.150 nan 0.000 0.444 196 N N -1.010 117.670 118.700 -0.032 0.000 2.223 196 N HA -0.128 4.612 4.740 -0.000 0.000 0.185 196 N C 1.376 176.749 175.510 -0.229 0.000 1.016 196 N CA 1.432 54.468 53.050 -0.024 0.000 0.863 196 N CB -0.617 37.961 38.487 0.152 0.000 0.983 196 N HN 0.562 nan 8.380 nan 0.000 0.429 197 F N 1.744 121.288 119.950 -0.676 0.000 2.102 197 F HA -0.024 4.503 4.527 -0.000 0.000 0.298 197 F C 1.972 177.511 175.800 -0.435 0.000 1.105 197 F CA 0.976 58.378 58.000 -0.997 0.000 1.239 197 F CB -0.423 38.033 39.000 -0.907 0.000 0.991 197 F HN -0.088 nan 8.300 nan 0.000 0.474 198 L N -0.584 120.417 121.223 -0.370 0.000 2.046 198 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 198 L C 2.419 179.108 176.870 -0.303 0.000 1.077 198 L CA 1.082 55.708 54.840 -0.356 0.000 0.747 198 L CB -0.980 40.985 42.059 -0.156 0.000 0.896 198 L HN 0.017 nan 8.230 nan 0.000 0.432 199 V N 0.192 119.980 119.914 -0.210 0.000 2.332 199 V HA -0.318 3.802 4.120 -0.000 0.000 0.248 199 V C 2.769 178.769 176.094 -0.157 0.000 1.055 199 V CA 1.843 64.059 62.300 -0.140 0.000 1.038 199 V CB -0.927 30.852 31.823 -0.074 0.000 0.651 199 V HN 0.505 nan 8.190 nan 0.000 0.450 200 A N -0.435 122.265 122.820 -0.200 0.000 2.024 200 A HA -0.136 4.184 4.320 -0.000 0.000 0.220 200 A C 2.089 179.546 177.584 -0.211 0.000 1.164 200 A CA 1.593 53.541 52.037 -0.149 0.000 0.643 200 A CB -0.488 18.462 19.000 -0.082 0.000 0.806 200 A HN 0.554 nan 8.150 nan 0.000 0.451 201 L N -1.915 119.099 121.223 -0.347 0.000 2.554 201 L HA 0.191 4.531 4.340 -0.000 0.000 0.226 201 L C 1.651 178.411 176.870 -0.183 0.000 1.137 201 L CA 0.630 55.291 54.840 -0.299 0.000 0.863 201 L CB -0.131 41.673 42.059 -0.425 0.000 0.985 201 L HN 0.597 nan 8.230 nan 0.000 0.451 202 G N -0.485 108.222 108.800 -0.155 0.000 2.192 202 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.193 202 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.193 202 G C 0.357 175.198 174.900 -0.098 0.000 0.999 202 G CA -0.165 44.872 45.100 -0.105 0.000 0.659 202 G HN 0.406 nan 8.290 nan 0.000 0.503 203 A N 0.041 122.789 122.820 -0.120 0.000 2.346 203 A HA 0.675 4.995 4.320 -0.000 0.000 0.252 203 A C 0.440 177.981 177.584 -0.072 0.000 1.089 203 A CA 0.383 52.362 52.037 -0.096 0.000 0.797 203 A CB 0.378 19.312 19.000 -0.109 0.000 1.047 203 A HN 0.349 nan 8.150 nan 0.000 0.494 204 K N 1.031 121.398 120.400 -0.055 0.000 2.464 204 K HA 0.563 4.883 4.320 -0.000 0.000 0.252 204 K C -1.390 175.190 176.600 -0.032 0.000 1.000 204 K CA 0.299 56.562 56.287 -0.039 0.000 0.951 204 K CB 0.961 33.442 32.500 -0.032 0.000 1.183 204 K HN 0.588 nan 8.250 nan 0.000 0.445 205 I N 1.197 121.749 120.570 -0.030 0.000 2.730 205 I HA 0.382 4.552 4.170 -0.000 0.000 0.298 205 I C -0.279 175.831 176.117 -0.012 0.000 1.089 205 I CA -0.813 60.474 61.300 -0.021 0.000 1.041 205 I CB 2.314 40.298 38.000 -0.027 0.000 1.235 205 I HN 0.534 nan 8.210 nan 0.000 0.423 206 S N 1.931 117.629 115.700 -0.004 0.000 2.550 206 S HA 0.770 5.240 4.470 -0.000 0.000 0.270 206 S C 0.128 174.733 174.600 0.007 0.000 1.145 206 S CA 0.037 58.239 58.200 0.002 0.000 0.852 206 S CB 1.934 65.136 63.200 0.002 0.000 1.119 206 S HN 1.426 nan 8.310 nan 0.000 0.465 207 G N 0.986 109.793 108.800 0.011 0.000 2.176 207 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.253 207 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.253 207 G C 0.107 175.017 174.900 0.017 0.000 0.979 207 G CA 0.210 45.319 45.100 0.015 0.000 0.641 207 G HN 1.333 nan 8.290 nan 0.000 0.530 208 Q N 0.281 120.090 119.800 0.014 0.000 2.300 208 Q HA 0.408 4.748 4.340 -0.000 0.000 0.280 208 Q C 1.159 177.175 176.000 0.026 0.000 1.033 208 Q CA 0.996 56.809 55.803 0.016 0.000 0.903 208 Q CB 0.994 29.739 28.738 0.011 0.000 1.195 208 Q HN 1.774 nan 8.270 nan 0.000 0.386 209 G N 2.396 111.216 108.800 0.034 0.000 2.259 209 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.217 209 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.217 209 G C 0.284 175.214 174.900 0.050 0.000 1.001 209 G CA 0.202 45.334 45.100 0.053 0.000 0.627 209 G HN 1.101 nan 8.290 nan 0.000 0.501 210 T N -1.131 113.444 114.554 0.034 0.000 2.922 210 T HA 0.538 4.888 4.350 -0.000 0.000 0.281 210 T C 1.064 175.780 174.700 0.026 0.000 1.005 210 T CA 0.697 62.814 62.100 0.028 0.000 0.982 210 T CB 1.642 70.522 68.868 0.021 0.000 1.158 210 T HN 0.220 nan 8.240 nan 0.000 0.566 211 D N -1.002 119.411 120.400 0.021 0.000 2.371 211 D HA -0.028 4.612 4.640 -0.000 0.000 0.221 211 D C 0.722 177.033 176.300 0.018 0.000 0.986 211 D CA 0.301 54.312 54.000 0.018 0.000 0.899 211 D CB -0.064 40.744 40.800 0.013 0.000 0.902 211 D HN 0.623 nan 8.370 nan 0.000 0.530 212 R N 0.344 120.857 120.500 0.022 0.000 2.502 212 R HA 0.537 4.877 4.340 -0.000 0.000 0.300 212 R C -1.358 174.957 176.300 0.025 0.000 0.984 212 R CA -0.633 55.483 56.100 0.027 0.000 0.882 212 R CB 0.850 31.173 30.300 0.038 0.000 1.180 212 R HN -0.037 nan 8.270 nan 0.000 0.444 213 I N 3.149 123.732 120.570 0.023 0.000 2.441 213 I HA 0.331 4.501 4.170 -0.000 0.000 0.295 213 I C -0.358 175.772 176.117 0.022 0.000 0.994 213 I CA -0.797 60.514 61.300 0.018 0.000 1.144 213 I CB 2.467 40.474 38.000 0.012 0.000 1.314 213 I HN 0.548 nan 8.210 nan 0.000 0.445 214 T N 6.813 121.378 114.554 0.018 0.000 2.786 214 T HA 0.627 4.977 4.350 -0.000 0.000 0.283 214 T C -0.424 174.280 174.700 0.006 0.000 0.992 214 T CA -0.321 61.790 62.100 0.018 0.000 0.954 214 T CB 0.969 69.849 68.868 0.020 0.000 0.934 214 T HN 0.156 nan 8.240 nan 0.000 0.440 215 I N 2.530 123.102 120.570 0.003 0.000 2.433 215 I HA 0.381 4.551 4.170 -0.000 0.000 0.292 215 I C 0.211 176.322 176.117 -0.010 0.000 1.001 215 I CA -0.621 60.673 61.300 -0.009 0.000 1.119 215 I CB 1.848 39.840 38.000 -0.013 0.000 1.289 215 I HN 0.557 nan 8.210 nan 0.000 0.438 216 E N 4.798 124.988 120.200 -0.016 0.000 2.114 216 E HA 0.532 4.882 4.350 -0.000 0.000 0.266 216 E C 0.019 176.604 176.600 -0.026 0.000 0.896 216 E CA -0.677 55.712 56.400 -0.018 0.000 0.750 216 E CB 1.161 30.851 29.700 -0.017 0.000 1.121 216 E HN 0.842 nan 8.360 nan 0.000 0.413 217 G N 2.541 111.325 108.800 -0.027 0.000 2.484 217 G HA2 0.306 4.266 3.960 -0.000 0.000 0.235 217 G HA3 0.306 4.266 3.960 -0.000 0.000 0.235 217 G C 0.108 174.985 174.900 -0.037 0.000 1.282 217 G CA 0.081 45.160 45.100 -0.034 0.000 0.857 217 G HN 0.437 nan 8.290 nan 0.000 0.571 218 V N -0.931 118.956 119.914 -0.045 0.000 3.155 218 V HA 0.590 4.710 4.120 -0.000 0.000 0.313 218 V C 0.834 176.896 176.094 -0.052 0.000 1.162 218 V CA -0.811 61.461 62.300 -0.046 0.000 1.048 218 V CB 1.966 33.759 31.823 -0.051 0.000 1.092 218 V HN 0.565 nan 8.190 nan 0.000 0.447 219 E N 1.103 121.273 120.200 -0.050 0.000 2.072 219 E HA -0.007 4.343 4.350 -0.000 0.000 0.191 219 E C 0.551 177.109 176.600 -0.071 0.000 0.985 219 E CA 1.495 57.862 56.400 -0.056 0.000 0.801 219 E CB 0.091 29.763 29.700 -0.046 0.000 0.750 219 E HN 0.822 nan 8.360 nan 0.000 0.452 220 R N -1.431 119.027 120.500 -0.070 0.000 2.733 220 R HA 0.559 4.899 4.340 -0.000 0.000 0.272 220 R C -0.870 175.383 176.300 -0.079 0.000 1.029 220 R CA -0.709 55.342 56.100 -0.082 0.000 0.888 220 R CB 0.882 31.136 30.300 -0.077 0.000 1.251 220 R HN -0.183 nan 8.270 nan 0.000 0.464 221 L N 0.739 121.909 121.223 -0.087 0.000 2.334 221 L HA 0.636 4.976 4.340 -0.000 0.000 0.273 221 L C 0.571 177.394 176.870 -0.079 0.000 1.013 221 L CA -0.666 54.116 54.840 -0.097 0.000 0.816 221 L CB 1.959 43.946 42.059 -0.120 0.000 1.278 221 L HN 0.983 nan 8.230 nan 0.000 0.431 222 G N 0.865 109.617 108.800 -0.081 0.000 3.329 222 G HA2 0.644 4.604 3.960 -0.000 0.000 0.180 222 G HA3 0.644 4.604 3.960 -0.000 0.000 0.180 222 G C -0.038 174.831 174.900 -0.052 0.000 1.640 222 G CA 0.322 45.390 45.100 -0.053 0.000 1.018 222 G HN 0.751 nan 8.290 nan 0.000 0.581 223 G N -2.971 105.808 108.800 -0.036 0.000 3.166 223 G HA2 0.718 4.678 3.960 -0.000 0.000 0.267 223 G HA3 0.718 4.678 3.960 -0.000 0.000 0.267 223 G C -0.179 174.713 174.900 -0.013 0.000 1.256 223 G CA 0.115 45.207 45.100 -0.013 0.000 0.859 223 G HN 1.886 nan 8.290 nan 0.000 0.590 224 G N -2.552 106.271 108.800 0.038 0.000 2.302 224 G HA2 0.480 4.440 3.960 -0.000 0.000 0.264 224 G HA3 0.480 4.440 3.960 -0.000 0.000 0.264 224 G C -1.858 173.105 174.900 0.106 0.000 1.335 224 G CA 0.204 45.338 45.100 0.056 0.000 0.982 224 G HN 1.455 nan 8.290 nan 0.000 0.473 225 V N 0.314 120.301 119.914 0.122 0.000 2.709 225 V HA 0.777 4.897 4.120 -0.000 0.000 0.308 225 V C -1.176 175.053 176.094 0.224 0.000 1.062 225 V CA -0.581 61.800 62.300 0.135 0.000 0.901 225 V CB 1.642 33.514 31.823 0.082 0.000 1.003 225 V HN 1.062 nan 8.190 nan 0.000 0.425 226 Y N 3.515 123.865 120.300 0.083 0.000 2.513 226 Y HA 0.616 5.166 4.550 -0.000 0.000 0.340 226 Y C -0.442 175.466 175.900 0.014 0.000 1.055 226 Y CA -0.857 57.308 58.100 0.108 0.000 1.020 226 Y CB 1.834 40.495 38.460 0.335 0.000 1.301 226 Y HN 0.624 nan 8.280 nan 0.000 0.453 227 R N 5.017 125.175 120.500 -0.569 0.000 2.343 227 R HA 0.616 4.956 4.340 -0.000 0.000 0.320 227 R C -1.506 174.552 176.300 -0.403 0.000 0.956 227 R CA -0.617 55.261 56.100 -0.371 0.000 0.836 227 R CB 1.072 31.199 30.300 -0.289 0.000 1.151 227 R HN 0.617 nan 8.270 nan 0.000 0.450 228 V N 6.369 126.195 119.914 -0.147 0.000 2.673 228 V HA -0.004 4.116 4.120 -0.000 0.000 0.303 228 V C 0.989 177.037 176.094 -0.076 0.000 1.046 228 V CA -0.124 62.146 62.300 -0.051 0.000 1.126 228 V CB 0.604 32.394 31.823 -0.055 0.000 0.934 228 V HN 0.687 nan 8.190 nan 0.000 0.487 229 L N 5.567 126.769 121.223 -0.034 0.000 2.473 229 L HA 0.447 4.787 4.340 -0.000 0.000 0.268 229 L C -2.340 174.509 176.870 -0.035 0.000 1.215 229 L CA -1.393 53.425 54.840 -0.038 0.000 0.823 229 L CB -0.079 41.973 42.059 -0.012 0.000 1.099 229 L HN 0.362 nan 8.230 nan 0.000 0.483 230 P HA -0.012 nan 4.420 nan 0.000 0.269 230 P C -1.128 176.161 177.300 -0.017 0.000 1.215 230 P CA -0.019 63.070 63.100 -0.017 0.000 0.780 230 P CB 0.347 32.043 31.700 -0.006 0.000 0.898 231 D N 2.417 122.810 120.400 -0.013 0.000 2.359 231 D HA -0.011 4.629 4.640 -0.000 0.000 0.250 231 D C 1.352 177.645 176.300 -0.011 0.000 1.264 231 D CA -0.083 53.899 54.000 -0.029 0.000 0.911 231 D CB 0.415 41.187 40.800 -0.047 0.000 1.056 231 D HN 0.328 nan 8.370 nan 0.000 0.499 232 R N 3.755 124.241 120.500 -0.023 0.000 2.120 232 R HA -0.132 4.208 4.340 -0.000 0.000 0.234 232 R C 1.338 177.635 176.300 -0.005 0.000 1.123 232 R CA 0.663 56.757 56.100 -0.010 0.000 0.975 232 R CB -0.140 30.143 30.300 -0.029 0.000 0.866 232 R HN 0.333 nan 8.270 nan 0.000 0.446 233 I N 1.685 122.233 120.570 -0.037 0.000 2.406 233 I HA -0.113 4.057 4.170 -0.000 0.000 0.249 233 I C 2.523 178.647 176.117 0.010 0.000 1.122 233 I CA 1.156 62.437 61.300 -0.033 0.000 1.431 233 I CB -1.138 36.815 38.000 -0.079 0.000 1.087 233 I HN 0.386 nan 8.210 nan 0.000 0.424 234 E N 0.925 121.118 120.200 -0.012 0.000 2.072 234 E HA -0.182 4.168 4.350 -0.000 0.000 0.191 234 E C 1.979 178.726 176.600 0.245 0.000 0.985 234 E CA 1.778 58.254 56.400 0.127 0.000 0.801 234 E CB 0.191 29.964 29.700 0.121 0.000 0.750 234 E HN 0.368 nan 8.360 nan 0.000 0.452 235 T N -0.036 114.627 114.554 0.181 0.000 2.684 235 T HA -0.141 4.209 4.350 -0.000 0.000 0.267 235 T C 1.766 176.571 174.700 0.174 0.000 1.036 235 T CA 1.366 63.585 62.100 0.198 0.000 1.148 235 T CB -0.708 68.230 68.868 0.115 0.000 0.863 235 T HN 0.412 nan 8.240 nan 0.000 0.436 236 G N 0.908 109.779 108.800 0.119 0.000 2.432 236 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.219 236 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.219 236 G C 1.694 176.649 174.900 0.091 0.000 1.135 236 G CA 1.436 46.610 45.100 0.122 0.000 0.767 236 G HN 0.465 nan 8.290 nan 0.000 0.550 237 T N 0.759 115.345 114.554 0.053 0.000 2.777 237 T HA -0.047 4.303 4.350 -0.000 0.000 0.266 237 T C 2.022 176.617 174.700 -0.175 0.000 1.040 237 T CA 0.903 62.957 62.100 -0.077 0.000 1.141 237 T CB -0.320 68.486 68.868 -0.102 0.000 0.868 237 T HN 0.287 nan 8.240 nan 0.000 0.444 238 F N 0.808 120.792 119.950 0.057 0.000 2.259 238 F HA 0.140 4.667 4.527 -0.000 0.000 0.298 238 F C 2.072 177.879 175.800 0.010 0.000 1.088 238 F CA 0.488 58.503 58.000 0.026 0.000 1.358 238 F CB -0.410 38.613 39.000 0.038 0.000 1.040 238 F HN 0.065 nan 8.300 nan 0.000 0.505 239 L N -0.835 120.489 121.223 0.168 0.000 2.046 239 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 239 L C 2.332 179.212 176.870 0.018 0.000 1.077 239 L CA 0.749 55.649 54.840 0.101 0.000 0.747 239 L CB -0.736 41.387 42.059 0.107 0.000 0.896 239 L HN -0.033 nan 8.230 nan 0.000 0.432 240 V N 0.048 119.934 119.914 -0.047 0.000 2.427 240 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 240 V C 2.759 178.790 176.094 -0.105 0.000 1.051 240 V CA 1.659 63.866 62.300 -0.154 0.000 1.048 240 V CB -0.824 30.854 31.823 -0.241 0.000 0.666 240 V HN 0.478 nan 8.190 nan 0.000 0.456 241 A N -0.008 122.770 122.820 -0.070 0.000 1.948 241 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 241 A C 2.362 179.937 177.584 -0.014 0.000 1.177 241 A CA 2.333 54.342 52.037 -0.047 0.000 0.636 241 A CB -0.623 18.367 19.000 -0.016 0.000 0.815 241 A HN 0.587 nan 8.150 nan 0.000 0.449 242 A N -0.667 122.159 122.820 0.011 0.000 1.935 242 A HA 0.384 4.704 4.320 -0.000 0.000 0.214 242 A C 2.400 179.976 177.584 -0.015 0.000 1.178 242 A CA 1.409 53.450 52.037 0.007 0.000 0.640 242 A CB -0.819 18.195 19.000 0.022 0.000 0.825 242 A HN 1.037 nan 8.150 nan 0.000 0.447 243 A N 0.493 123.296 122.820 -0.027 0.000 2.070 243 A HA -0.009 4.311 4.320 -0.000 0.000 0.220 243 A C 1.916 179.472 177.584 -0.046 0.000 1.159 243 A CA 1.385 53.400 52.037 -0.038 0.000 0.656 243 A CB -0.740 18.223 19.000 -0.062 0.000 0.800 243 A HN 0.946 nan 8.150 nan 0.000 0.453 244 I N -3.485 117.052 120.570 -0.056 0.000 3.968 244 I HA 0.156 4.326 4.170 -0.000 0.000 0.328 244 I C 1.239 177.338 176.117 -0.030 0.000 1.290 244 I CA 0.994 62.265 61.300 -0.049 0.000 1.163 244 I CB 0.330 38.291 38.000 -0.066 0.000 1.024 244 I HN 0.207 nan 8.210 nan 0.000 0.413 245 S N 0.036 115.721 115.700 -0.025 0.000 2.663 245 S HA 0.452 4.922 4.470 -0.000 0.000 0.243 245 S C 1.383 175.976 174.600 -0.011 0.000 1.009 245 S CA 0.167 58.356 58.200 -0.017 0.000 0.988 245 S CB 0.212 63.401 63.200 -0.019 0.000 0.896 245 S HN 0.740 nan 8.310 nan 0.000 0.502 246 G N 0.492 109.287 108.800 -0.008 0.000 2.179 246 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.257 246 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.257 246 G C 0.519 175.410 174.900 -0.014 0.000 1.010 246 G CA 0.010 45.108 45.100 -0.004 0.000 0.736 246 G HN 1.097 nan 8.290 nan 0.000 0.513 247 G N -0.950 107.839 108.800 -0.018 0.000 2.543 247 G HA2 0.655 4.615 3.960 -0.000 0.000 0.290 247 G HA3 0.655 4.615 3.960 -0.000 0.000 0.290 247 G C -0.171 174.705 174.900 -0.041 0.000 1.310 247 G CA 0.005 45.091 45.100 -0.024 0.000 1.025 247 G HN 0.742 nan 8.290 nan 0.000 0.502 248 K N -0.933 119.444 120.400 -0.038 0.000 2.553 248 K HA 0.593 4.913 4.320 -0.000 0.000 0.250 248 K C -1.823 174.763 176.600 -0.023 0.000 0.953 248 K CA -0.691 55.566 56.287 -0.051 0.000 0.800 248 K CB 1.962 34.415 32.500 -0.078 0.000 1.243 248 K HN 0.475 nan 8.250 nan 0.000 0.435 249 I N 3.112 123.679 120.570 -0.005 0.000 3.006 249 I HA 0.493 4.663 4.170 -0.000 0.000 0.306 249 I C -1.739 174.393 176.117 0.026 0.000 1.250 249 I CA -1.001 60.304 61.300 0.008 0.000 0.996 249 I CB 2.380 40.400 38.000 0.034 0.000 1.261 249 I HN 0.416 nan 8.210 nan 0.000 0.442 250 V N 4.708 124.630 119.914 0.013 0.000 2.540 250 V HA 0.387 4.507 4.120 -0.000 0.000 0.302 250 V C -0.782 175.338 176.094 0.043 0.000 1.035 250 V CA -0.574 61.753 62.300 0.044 0.000 0.873 250 V CB 1.496 33.309 31.823 -0.017 0.000 0.992 250 V HN 0.777 nan 8.190 nan 0.000 0.428 251 C N 5.912 125.275 119.300 0.105 0.000 2.251 251 C HA 0.594 5.054 4.460 -0.000 0.000 0.323 251 C C 0.518 175.575 174.990 0.113 0.000 1.241 251 C CA -1.090 57.974 59.018 0.077 0.000 1.601 251 C CB -0.108 27.692 27.740 0.101 0.000 2.251 251 C HN 0.747 nan 8.230 nan 0.000 0.488 252 R N 2.575 123.108 120.500 0.055 0.000 2.532 252 R HA 0.265 4.605 4.340 -0.000 0.000 0.272 252 R C 0.226 176.559 176.300 0.055 0.000 1.032 252 R CA -0.297 55.847 56.100 0.073 0.000 1.089 252 R CB 0.296 30.608 30.300 0.020 0.000 1.098 252 R HN 0.770 nan 8.270 nan 0.000 0.526 253 N N -1.165 117.575 118.700 0.066 0.000 2.738 253 N HA -0.193 4.547 4.740 -0.000 0.000 0.249 253 N C -0.991 174.537 175.510 0.031 0.000 1.047 253 N CA 1.160 54.232 53.050 0.035 0.000 0.707 253 N CB -1.002 37.491 38.487 0.010 0.000 0.937 253 N HN 0.749 nan 8.380 nan 0.000 0.545 254 A N -0.182 122.666 122.820 0.047 0.000 2.282 254 A HA 0.781 5.101 4.320 -0.000 0.000 0.324 254 A C 0.110 177.693 177.584 -0.002 0.000 1.119 254 A CA -0.415 51.640 52.037 0.030 0.000 0.880 254 A CB 1.335 20.366 19.000 0.052 0.000 1.294 254 A HN 0.213 nan 8.150 nan 0.000 0.493 255 Q N -0.076 119.716 119.800 -0.013 0.000 3.147 255 Q HA 0.314 4.654 4.340 -0.000 0.000 0.224 255 Q C -2.388 173.593 176.000 -0.031 0.000 0.901 255 Q CA -1.636 54.148 55.803 -0.031 0.000 0.729 255 Q CB 1.410 30.134 28.738 -0.022 0.000 1.363 255 Q HN 0.421 nan 8.270 nan 0.000 0.467 256 P HA -0.190 nan 4.420 nan 0.000 0.217 256 P C 0.563 177.845 177.300 -0.030 0.000 1.148 256 P CA 1.437 64.503 63.100 -0.057 0.000 0.828 256 P CB 0.177 31.803 31.700 -0.124 0.000 0.783 257 D N -1.166 119.217 120.400 -0.028 0.000 2.392 257 D HA -0.105 4.535 4.640 -0.000 0.000 0.228 257 D C 1.108 177.429 176.300 0.036 0.000 1.003 257 D CA 1.280 55.277 54.000 -0.005 0.000 0.917 257 D CB -1.422 39.373 40.800 -0.008 0.000 0.890 257 D HN 0.242 nan 8.370 nan 0.000 0.532 258 T N -2.974 111.605 114.554 0.043 0.000 3.069 258 T HA 0.234 4.584 4.350 -0.000 0.000 0.252 258 T C 1.316 176.078 174.700 0.104 0.000 1.053 258 T CA -0.311 61.845 62.100 0.094 0.000 0.964 258 T CB -0.216 68.668 68.868 0.027 0.000 1.005 258 T HN 0.177 nan 8.240 nan 0.000 0.532 259 L N 0.754 122.008 121.223 0.053 0.000 3.122 259 L HA 0.326 4.666 4.340 -0.000 0.000 0.274 259 L C 0.980 177.866 176.870 0.027 0.000 1.222 259 L CA -0.232 54.630 54.840 0.037 0.000 1.028 259 L CB 0.368 42.447 42.059 0.033 0.000 1.386 259 L HN 0.019 nan 8.230 nan 0.000 0.578 260 D N 1.601 122.011 120.400 0.016 0.000 2.154 260 D HA -0.278 4.362 4.640 -0.000 0.000 0.190 260 D C 2.138 178.451 176.300 0.021 0.000 1.003 260 D CA 1.916 55.920 54.000 0.007 0.000 0.849 260 D CB 0.109 40.900 40.800 -0.016 0.000 0.942 260 D HN 0.396 nan 8.370 nan 0.000 0.446 261 A N 0.603 123.429 122.820 0.010 0.000 1.902 261 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 261 A C 2.626 180.275 177.584 0.107 0.000 1.181 261 A CA 1.478 53.546 52.037 0.052 0.000 0.623 261 A CB -0.746 18.280 19.000 0.044 0.000 0.818 261 A HN 0.167 nan 8.150 nan 0.000 0.443 262 V N 0.327 120.264 119.914 0.039 0.000 2.295 262 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 262 V C 2.579 178.802 176.094 0.215 0.000 1.049 262 V CA 1.941 64.308 62.300 0.112 0.000 1.024 262 V CB -0.844 31.015 31.823 0.060 0.000 0.648 262 V HN 0.567 nan 8.190 nan 0.000 0.447 263 L N 0.182 121.487 121.223 0.137 0.000 2.046 263 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 263 L C 2.795 179.741 176.870 0.127 0.000 1.077 263 L CA 1.655 56.572 54.840 0.128 0.000 0.747 263 L CB -0.981 41.122 42.059 0.072 0.000 0.896 263 L HN 0.369 nan 8.230 nan 0.000 0.432 264 A N 0.292 123.173 122.820 0.101 0.000 1.883 264 A HA -0.271 4.049 4.320 -0.000 0.000 0.217 264 A C 2.327 179.979 177.584 0.113 0.000 1.186 264 A CA 2.137 54.225 52.037 0.085 0.000 0.624 264 A CB -0.453 18.582 19.000 0.059 0.000 0.822 264 A HN 0.215 nan 8.150 nan 0.000 0.444 265 K N -0.072 120.416 120.400 0.147 0.000 2.097 265 K HA 0.022 4.342 4.320 -0.000 0.000 0.206 265 K C 1.726 178.500 176.600 0.290 0.000 1.049 265 K CA 1.257 57.649 56.287 0.175 0.000 0.933 265 K CB -0.545 32.017 32.500 0.103 0.000 0.717 265 K HN 0.498 nan 8.250 nan 0.000 0.442 266 L N -0.188 121.231 121.223 0.327 0.000 2.093 266 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 266 L C 2.425 179.392 176.870 0.161 0.000 1.085 266 L CA 1.140 56.139 54.840 0.266 0.000 0.755 266 L CB -0.261 41.935 42.059 0.228 0.000 0.904 266 L HN 0.144 nan 8.230 nan 0.000 0.435 267 R N 0.067 120.648 120.500 0.136 0.000 2.096 267 R HA -0.169 4.171 4.340 -0.000 0.000 0.235 267 R C 2.097 178.451 176.300 0.091 0.000 1.127 267 R CA 1.360 57.520 56.100 0.100 0.000 0.968 267 R CB -0.193 30.157 30.300 0.083 0.000 0.861 267 R HN 0.447 nan 8.270 nan 0.000 0.440 268 E N 0.115 120.372 120.200 0.096 0.000 2.204 268 E HA -0.121 4.229 4.350 -0.000 0.000 0.194 268 E C 1.523 178.172 176.600 0.082 0.000 0.989 268 E CA 0.950 57.397 56.400 0.078 0.000 0.824 268 E CB 0.040 29.782 29.700 0.069 0.000 0.756 268 E HN 0.329 nan 8.360 nan 0.000 0.477 269 A N 0.192 123.076 122.820 0.106 0.000 2.238 269 A HA 0.261 4.581 4.320 -0.000 0.000 0.208 269 A C 1.619 179.245 177.584 0.070 0.000 1.177 269 A CA 0.786 52.877 52.037 0.090 0.000 0.804 269 A CB -0.179 18.884 19.000 0.104 0.000 0.823 269 A HN 0.325 nan 8.150 nan 0.000 0.482 270 G N -2.309 106.535 108.800 0.074 0.000 2.159 270 G HA2 0.141 4.101 3.960 -0.000 0.000 0.227 270 G HA3 0.141 4.101 3.960 -0.000 0.000 0.227 270 G C 0.339 175.291 174.900 0.087 0.000 0.986 270 G CA 0.098 45.241 45.100 0.072 0.000 0.651 270 G HN 1.518 nan 8.290 nan 0.000 0.523 271 A N 0.228 123.100 122.820 0.087 0.000 2.388 271 A HA 0.572 4.892 4.320 -0.000 0.000 0.257 271 A C 0.135 177.783 177.584 0.106 0.000 1.095 271 A CA 0.542 52.632 52.037 0.090 0.000 0.791 271 A CB 0.612 19.659 19.000 0.079 0.000 1.029 271 A HN 0.614 nan 8.150 nan 0.000 0.489 272 D N 2.295 122.769 120.400 0.124 0.000 2.396 272 D HA 0.461 5.101 4.640 -0.000 0.000 0.225 272 D C -0.613 175.755 176.300 0.114 0.000 1.121 272 D CA 0.082 54.172 54.000 0.149 0.000 0.853 272 D CB 0.000 40.966 40.800 0.275 0.000 1.043 272 D HN 0.346 nan 8.370 nan 0.000 0.500 273 I N 2.753 123.387 120.570 0.107 0.000 2.530 273 I HA 0.384 4.554 4.170 -0.000 0.000 0.297 273 I C 0.214 176.396 176.117 0.108 0.000 1.011 273 I CA -0.810 60.553 61.300 0.105 0.000 1.107 273 I CB 1.896 39.948 38.000 0.086 0.000 1.285 273 I HN 0.286 nan 8.210 nan 0.000 0.436 274 E N 3.119 123.408 120.200 0.148 0.000 2.317 274 E HA 0.591 4.941 4.350 -0.000 0.000 0.270 274 E C -1.161 175.431 176.600 -0.013 0.000 0.885 274 E CA -0.786 55.706 56.400 0.153 0.000 0.760 274 E CB 2.771 32.680 29.700 0.348 0.000 1.227 274 E HN 0.663 nan 8.360 nan 0.000 0.434 275 T N -1.365 112.971 114.554 -0.363 0.000 2.903 275 T HA 0.800 5.150 4.350 -0.000 0.000 0.299 275 T C -0.001 173.919 174.700 -1.301 0.000 1.093 275 T CA -0.779 60.813 62.100 -0.847 0.000 1.002 275 T CB 1.918 70.539 68.868 -0.412 0.000 1.127 275 T HN 0.520 nan 8.240 nan 0.000 0.488 276 G N 0.051 107.735 108.800 -1.860 0.000 3.140 276 G HA2 0.540 4.500 3.960 -0.000 0.000 0.271 276 G HA3 0.540 4.500 3.960 -0.000 0.000 0.271 276 G C 0.513 175.018 174.900 -0.658 0.000 1.370 276 G CA -0.317 44.048 45.100 -1.225 0.000 1.014 276 G HN 0.916 nan 8.290 nan 0.000 0.541 277 E N -1.027 118.997 120.200 -0.294 0.000 2.110 277 E HA -0.125 4.225 4.350 -0.000 0.000 0.193 277 E C 0.506 177.025 176.600 -0.135 0.000 0.988 277 E CA 1.733 58.042 56.400 -0.152 0.000 0.804 277 E CB -0.031 29.642 29.700 -0.045 0.000 0.745 277 E HN 0.390 nan 8.360 nan 0.000 0.458 278 D N -0.285 120.054 120.400 -0.102 0.000 2.673 278 D HA 0.064 4.704 4.640 -0.000 0.000 0.278 278 D C -0.249 176.108 176.300 0.095 0.000 1.393 278 D CA -0.644 53.355 54.000 -0.001 0.000 0.805 278 D CB -0.598 40.242 40.800 0.067 0.000 1.110 278 D HN 0.468 nan 8.370 nan 0.000 0.476 279 W N -0.034 121.267 121.300 0.001 0.000 3.075 279 W HA 0.692 5.352 4.660 0.000 0.000 0.334 279 W C -1.973 174.553 176.519 0.011 0.000 1.243 279 W CA -1.293 56.053 57.345 0.002 0.000 1.170 279 W CB 0.536 29.994 29.460 -0.004 0.000 1.452 279 W HN -0.314 nan 8.180 nan 0.000 0.572 280 I N 2.714 123.490 120.570 0.343 0.000 2.656 280 I HA 0.359 4.529 4.170 -0.000 0.000 0.292 280 I C -0.319 176.027 176.117 0.382 0.000 1.144 280 I CA -0.772 60.662 61.300 0.222 0.000 1.038 280 I CB 2.629 40.683 38.000 0.091 0.000 1.244 280 I HN 0.474 nan 8.210 nan 0.000 0.420 281 S N 6.366 122.293 115.700 0.378 0.000 2.542 281 S HA 0.870 5.340 4.470 -0.000 0.000 0.293 281 S C -1.072 173.623 174.600 0.159 0.000 1.089 281 S CA -0.757 57.596 58.200 0.255 0.000 0.961 281 S CB 2.530 65.888 63.200 0.264 0.000 1.062 281 S HN 0.666 nan 8.310 nan 0.000 0.483 282 L N 1.741 123.019 121.223 0.092 0.000 2.431 282 L HA 0.737 5.077 4.340 -0.000 0.000 0.266 282 L C -2.127 174.741 176.870 -0.003 0.000 0.978 282 L CA -0.310 54.565 54.840 0.058 0.000 0.822 282 L CB 2.061 44.158 42.059 0.063 0.000 1.310 282 L HN 0.844 nan 8.230 nan 0.000 0.409 283 D N 4.474 124.846 120.400 -0.048 0.000 2.863 283 D HA 0.350 4.990 4.640 -0.000 0.000 0.245 283 D C 0.044 176.241 176.300 -0.171 0.000 1.211 283 D CA -0.413 53.472 54.000 -0.192 0.000 0.888 283 D CB 1.928 42.497 40.800 -0.384 0.000 1.483 283 D HN 0.472 nan 8.370 nan 0.000 0.533 284 M N 1.684 121.207 119.600 -0.129 0.000 2.428 284 M HA 0.065 4.545 4.480 -0.000 0.000 0.239 284 M C 0.184 176.514 176.300 0.050 0.000 1.121 284 M CA 0.041 55.334 55.300 -0.011 0.000 1.019 284 M CB -0.682 31.919 32.600 0.001 0.000 1.485 284 M HN 0.497 nan 8.290 nan 0.000 0.484 285 H N 0.364 119.445 119.070 0.019 0.000 2.741 285 H HA -0.174 4.382 4.556 -0.000 0.000 0.305 285 H C 1.286 176.621 175.328 0.012 0.000 1.169 285 H CA 0.925 56.983 56.048 0.016 0.000 1.144 285 H CB -2.062 27.711 29.762 0.017 0.000 1.397 285 H HN 0.677 nan 8.280 nan 0.000 0.409 286 G N -0.366 108.468 108.800 0.056 0.000 2.153 286 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.252 286 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.252 286 G C 0.174 175.101 174.900 0.046 0.000 0.994 286 G CA 0.738 45.863 45.100 0.042 0.000 0.698 286 G HN 0.358 nan 8.290 nan 0.000 0.521 287 K N 0.188 120.622 120.400 0.057 0.000 2.164 287 K HA 0.477 4.797 4.320 -0.000 0.000 0.258 287 K C 0.871 177.491 176.600 0.034 0.000 0.951 287 K CA -0.887 55.429 56.287 0.049 0.000 0.844 287 K CB 1.318 33.858 32.500 0.066 0.000 1.099 287 K HN 0.321 nan 8.250 nan 0.000 0.435 288 R N 2.275 122.791 120.500 0.028 0.000 2.694 288 R HA 0.112 4.452 4.340 -0.000 0.000 0.268 288 R C -1.822 174.492 176.300 0.024 0.000 1.061 288 R CA -1.091 55.021 56.100 0.020 0.000 1.133 288 R CB -0.005 30.307 30.300 0.020 0.000 1.020 288 R HN 0.419 nan 8.270 nan 0.000 0.475 289 P HA 0.090 nan 4.420 nan 0.000 0.274 289 P C -1.246 176.072 177.300 0.030 0.000 1.256 289 P CA -0.200 62.913 63.100 0.021 0.000 0.795 289 P CB 0.731 32.431 31.700 0.001 0.000 1.038 290 K N 0.571 120.994 120.400 0.039 0.000 2.265 290 K HA 0.544 4.864 4.320 -0.000 0.000 0.267 290 K C 0.035 176.664 176.600 0.049 0.000 0.994 290 K CA -0.702 55.610 56.287 0.042 0.000 0.860 290 K CB 1.410 33.936 32.500 0.044 0.000 1.099 290 K HN 0.475 nan 8.250 nan 0.000 0.448 291 A N 2.402 125.250 122.820 0.046 0.000 2.587 291 A HA 0.212 4.532 4.320 -0.000 0.000 0.233 291 A C 0.315 177.929 177.584 0.050 0.000 1.049 291 A CA -0.127 51.940 52.037 0.049 0.000 0.754 291 A CB -0.154 18.872 19.000 0.044 0.000 0.977 291 A HN 0.589 nan 8.150 nan 0.000 0.509 292 V N -0.382 119.566 119.914 0.057 0.000 3.158 292 V HA 0.894 5.014 4.120 -0.000 0.000 0.311 292 V C -0.071 176.024 176.094 0.001 0.000 1.181 292 V CA -0.625 61.699 62.300 0.039 0.000 1.054 292 V CB 1.711 33.575 31.823 0.068 0.000 1.085 292 V HN 0.798 nan 8.190 nan 0.000 0.446 293 T N 1.357 115.889 114.554 -0.037 0.000 2.797 293 T HA 0.751 5.101 4.350 -0.000 0.000 0.279 293 T C -0.724 173.885 174.700 -0.152 0.000 0.991 293 T CA -0.295 61.763 62.100 -0.070 0.000 0.979 293 T CB 1.373 70.212 68.868 -0.047 0.000 0.943 293 T HN 0.775 nan 8.240 nan 0.000 0.444 294 V N 3.637 123.427 119.914 -0.207 0.000 2.709 294 V HA 0.638 4.758 4.120 -0.000 0.000 0.308 294 V C -0.283 175.658 176.094 -0.255 0.000 1.062 294 V CA -0.991 61.070 62.300 -0.398 0.000 0.901 294 V CB 2.210 33.599 31.823 -0.724 0.000 1.003 294 V HN 0.731 nan 8.190 nan 0.000 0.425 295 R N 2.097 122.458 120.500 -0.230 0.000 2.483 295 R HA 0.544 4.884 4.340 -0.000 0.000 0.303 295 R C -0.005 176.298 176.300 0.005 0.000 0.987 295 R CA -0.266 55.791 56.100 -0.071 0.000 0.881 295 R CB 1.697 31.974 30.300 -0.039 0.000 1.177 295 R HN 0.968 nan 8.270 nan 0.000 0.451 296 T N 0.978 115.589 114.554 0.095 0.000 2.860 296 T HA 0.731 5.081 4.350 -0.000 0.000 0.299 296 T C 0.108 174.878 174.700 0.116 0.000 1.045 296 T CA -0.039 62.183 62.100 0.203 0.000 1.071 296 T CB 1.557 70.555 68.868 0.217 0.000 0.985 296 T HN 0.689 nan 8.240 nan 0.000 0.537 297 A N 2.211 125.098 122.820 0.111 0.000 2.522 297 A HA 0.693 5.013 4.320 -0.000 0.000 0.291 297 A C -3.158 174.458 177.584 0.054 0.000 1.039 297 A CA -1.599 50.472 52.037 0.056 0.000 0.643 297 A CB 0.070 19.095 19.000 0.042 0.000 1.310 297 A HN 0.677 nan 8.150 nan 0.000 0.436 298 P HA 0.197 nan 4.420 nan 0.000 0.269 298 P C -0.408 176.933 177.300 0.069 0.000 1.211 298 P CA 0.419 63.546 63.100 0.045 0.000 0.781 298 P CB 0.153 31.866 31.700 0.022 0.000 0.877 299 H N 2.982 122.049 119.070 -0.005 0.000 2.707 299 H HA 0.115 4.671 4.556 -0.000 0.000 0.359 299 H C -1.301 174.024 175.328 -0.005 0.000 1.113 299 H CA -1.168 54.874 56.048 -0.010 0.000 1.422 299 H CB 0.274 30.029 29.762 -0.012 0.000 1.443 299 H HN 0.297 nan 8.280 nan 0.000 0.591 300 P HA 0.155 nan 4.420 nan 0.000 0.255 300 P C -0.463 176.644 177.300 -0.323 0.000 1.357 300 P CA 0.064 62.648 63.100 -0.860 0.000 0.839 300 P CB -0.068 31.209 31.700 -0.706 0.000 1.356 301 A N 0.407 123.150 122.820 -0.128 0.000 2.267 301 A HA 0.285 4.605 4.320 -0.000 0.000 0.271 301 A C -0.278 177.328 177.584 0.037 0.000 1.131 301 A CA -0.597 51.430 52.037 -0.018 0.000 0.818 301 A CB -0.413 18.598 19.000 0.019 0.000 1.118 301 A HN 0.172 nan 8.150 nan 0.000 0.501 302 F N 2.167 122.080 119.950 -0.061 0.000 2.557 302 F HA 0.231 4.758 4.527 -0.000 0.000 0.384 302 F C -1.543 174.238 175.800 -0.031 0.000 1.057 302 F CA -1.593 56.360 58.000 -0.078 0.000 1.169 302 F CB 0.415 39.329 39.000 -0.143 0.000 1.070 302 F HN 0.274 nan 8.300 nan 0.000 0.554 303 P HA -0.087 nan 4.420 nan 0.000 0.265 303 P C 0.449 177.692 177.300 -0.094 0.000 1.193 303 P CA 0.172 63.156 63.100 -0.193 0.000 0.765 303 P CB 1.346 32.909 31.700 -0.228 0.000 0.823 304 T N 1.337 115.931 114.554 0.067 0.000 2.881 304 T HA -0.123 4.227 4.350 -0.000 0.000 0.270 304 T C 1.063 175.803 174.700 0.065 0.000 1.068 304 T CA 1.482 63.666 62.100 0.140 0.000 1.131 304 T CB -0.643 68.378 68.868 0.254 0.000 0.871 304 T HN 0.311 nan 8.240 nan 0.000 0.479 305 D N 0.509 120.912 120.400 0.005 0.000 2.384 305 D HA 0.009 4.649 4.640 -0.000 0.000 0.222 305 D C 1.320 177.612 176.300 -0.013 0.000 0.976 305 D CA 0.617 54.601 54.000 -0.026 0.000 0.915 305 D CB 0.052 40.827 40.800 -0.041 0.000 0.896 305 D HN 0.414 nan 8.370 nan 0.000 0.523 306 M N -0.301 119.286 119.600 -0.020 0.000 2.313 306 M HA 0.048 4.528 4.480 -0.000 0.000 0.273 306 M C 1.638 178.143 176.300 0.341 0.000 1.049 306 M CA 0.085 55.435 55.300 0.083 0.000 1.004 306 M CB 0.446 32.951 32.600 -0.158 0.000 1.461 306 M HN -0.024 nan 8.290 nan 0.000 0.514 307 Q N 1.095 121.073 119.800 0.297 0.000 2.050 307 Q HA -0.105 4.235 4.340 -0.000 0.000 0.202 307 Q C 1.710 177.863 176.000 0.254 0.000 0.980 307 Q CA 2.105 58.132 55.803 0.373 0.000 0.840 307 Q CB 0.099 29.002 28.738 0.276 0.000 0.898 307 Q HN 0.451 nan 8.270 nan 0.000 0.424 308 A N 0.575 123.400 122.820 0.009 0.000 1.933 308 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 308 A C 1.980 179.513 177.584 -0.086 0.000 1.175 308 A CA 1.660 53.488 52.037 -0.348 0.000 0.628 308 A CB -0.452 18.114 19.000 -0.723 0.000 0.814 308 A HN 0.487 nan 8.150 nan 0.000 0.444 309 Q N -1.399 118.424 119.800 0.037 0.000 2.167 309 Q HA -0.017 4.323 4.340 -0.000 0.000 0.202 309 Q C 1.474 177.507 176.000 0.056 0.000 0.970 309 Q CA 1.396 57.216 55.803 0.028 0.000 0.855 309 Q CB -0.362 28.391 28.738 0.026 0.000 0.911 309 Q HN 0.705 nan 8.270 nan 0.000 0.438 310 F N -0.477 119.546 119.950 0.122 0.000 2.615 310 F HA -0.027 4.500 4.527 0.000 0.000 0.297 310 F C 2.043 177.896 175.800 0.088 0.000 1.124 310 F CA 0.863 58.940 58.000 0.127 0.000 1.451 310 F CB 0.008 39.124 39.000 0.192 0.000 1.103 310 F HN -0.010 nan 8.300 nan 0.000 0.569 311 T N 0.445 115.162 114.554 0.272 0.000 2.812 311 T HA -0.143 4.207 4.350 -0.000 0.000 0.264 311 T C 2.039 176.826 174.700 0.145 0.000 1.042 311 T CA 1.151 63.389 62.100 0.230 0.000 1.140 311 T CB -0.405 68.699 68.868 0.393 0.000 0.870 311 T HN 0.161 nan 8.240 nan 0.000 0.445 312 L N 1.376 122.669 121.223 0.117 0.000 2.046 312 L HA 0.068 4.408 4.340 -0.000 0.000 0.208 312 L C 2.143 179.016 176.870 0.006 0.000 1.077 312 L CA 1.556 56.427 54.840 0.052 0.000 0.747 312 L CB -0.888 41.178 42.059 0.012 0.000 0.896 312 L HN 0.263 nan 8.230 nan 0.000 0.432 313 L N -0.373 120.832 121.223 -0.030 0.000 2.046 313 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 313 L C 2.215 179.082 176.870 -0.005 0.000 1.077 313 L CA 1.661 56.461 54.840 -0.066 0.000 0.747 313 L CB -0.529 41.410 42.059 -0.200 0.000 0.896 313 L HN 0.398 nan 8.230 nan 0.000 0.432 314 N N 0.078 118.799 118.700 0.036 0.000 2.188 314 N HA -0.144 4.596 4.740 -0.000 0.000 0.184 314 N C 1.793 177.320 175.510 0.028 0.000 1.018 314 N CA 1.285 54.359 53.050 0.039 0.000 0.858 314 N CB -0.345 38.169 38.487 0.044 0.000 0.989 314 N HN 0.390 nan 8.380 nan 0.000 0.426 315 L N 0.717 121.954 121.223 0.024 0.000 2.549 315 L HA -0.024 4.316 4.340 -0.000 0.000 0.229 315 L C 1.192 178.073 176.870 0.018 0.000 1.158 315 L CA 0.483 55.334 54.840 0.018 0.000 0.842 315 L CB 0.013 42.079 42.059 0.011 0.000 0.952 315 L HN 0.066 nan 8.230 nan 0.000 0.452 316 V N -5.471 114.451 119.914 0.013 0.000 3.252 316 V HA 0.516 4.636 4.120 -0.000 0.000 0.320 316 V C 0.726 176.829 176.094 0.014 0.000 1.459 316 V CA -0.154 62.151 62.300 0.009 0.000 1.095 316 V CB -0.264 31.556 31.823 -0.006 0.000 0.997 316 V HN 0.090 nan 8.190 nan 0.000 0.469 317 A N 0.371 123.204 122.820 0.022 0.000 2.274 317 A HA 0.736 5.056 4.320 -0.000 0.000 0.297 317 A C -0.025 177.582 177.584 0.037 0.000 1.191 317 A CA -0.581 51.472 52.037 0.026 0.000 0.889 317 A CB 0.532 19.549 19.000 0.029 0.000 1.294 317 A HN 0.494 nan 8.150 nan 0.000 0.506 318 E N -0.658 119.564 120.200 0.036 0.000 2.146 318 E HA 0.482 4.832 4.350 -0.000 0.000 0.282 318 E C 0.349 176.976 176.600 0.043 0.000 0.989 318 E CA 0.679 57.102 56.400 0.038 0.000 0.799 318 E CB 1.076 30.796 29.700 0.032 0.000 1.088 318 E HN 1.276 nan 8.360 nan 0.000 0.397 319 G N 2.385 111.216 108.800 0.051 0.000 2.500 319 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.209 319 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.209 319 G C -0.617 174.333 174.900 0.082 0.000 1.283 319 G CA -0.726 44.409 45.100 0.057 0.000 0.960 319 G HN 0.477 nan 8.290 nan 0.000 0.528 320 T N 0.100 114.703 114.554 0.081 0.000 2.893 320 T HA 0.779 5.129 4.350 -0.000 0.000 0.293 320 T C 0.286 175.010 174.700 0.040 0.000 1.027 320 T CA 0.349 62.505 62.100 0.094 0.000 0.988 320 T CB 1.815 70.787 68.868 0.173 0.000 1.043 320 T HN 1.873 nan 8.240 nan 0.000 0.461 321 G N 0.467 109.269 108.800 0.003 0.000 2.612 321 G HA2 0.622 4.582 3.960 -0.000 0.000 0.298 321 G HA3 0.622 4.582 3.960 -0.000 0.000 0.298 321 G C -1.643 173.232 174.900 -0.042 0.000 1.336 321 G CA -0.531 44.564 45.100 -0.009 0.000 0.953 321 G HN 0.667 nan 8.290 nan 0.000 0.482 322 V N 2.723 122.613 119.914 -0.041 0.000 2.350 322 V HA 0.322 4.442 4.120 -0.000 0.000 0.285 322 V C -0.408 175.657 176.094 -0.049 0.000 1.014 322 V CA -0.811 61.456 62.300 -0.054 0.000 0.831 322 V CB 1.210 33.007 31.823 -0.044 0.000 1.000 322 V HN 0.546 nan 8.190 nan 0.000 0.433 323 I N 4.354 124.902 120.570 -0.036 0.000 2.325 323 I HA 0.341 4.511 4.170 -0.000 0.000 0.291 323 I C 0.515 176.672 176.117 0.067 0.000 1.019 323 I CA 0.308 61.618 61.300 0.016 0.000 1.302 323 I CB 1.217 39.281 38.000 0.105 0.000 1.401 323 I HN 0.486 nan 8.210 nan 0.000 0.485 324 T N 5.954 120.552 114.554 0.074 0.000 2.833 324 T HA 0.245 4.595 4.350 -0.000 0.000 0.297 324 T C 0.037 174.838 174.700 0.168 0.000 1.015 324 T CA -0.589 61.585 62.100 0.122 0.000 0.963 324 T CB 1.330 70.226 68.868 0.047 0.000 0.955 324 T HN 0.316 nan 8.240 nan 0.000 0.449 325 E N 2.251 122.614 120.200 0.271 0.000 2.229 325 E HA 0.260 4.610 4.350 -0.000 0.000 0.283 325 E C 0.798 177.461 176.600 0.105 0.000 1.030 325 E CA -0.031 56.471 56.400 0.169 0.000 0.836 325 E CB 1.548 31.288 29.700 0.067 0.000 1.068 325 E HN 0.780 nan 8.360 nan 0.000 0.401 326 T N 0.494 115.085 114.554 0.062 0.000 3.091 326 T HA 0.209 4.559 4.350 -0.000 0.000 0.277 326 T C 0.985 175.658 174.700 -0.045 0.000 0.996 326 T CA -0.233 61.876 62.100 0.016 0.000 0.897 326 T CB 0.090 68.966 68.868 0.015 0.000 1.109 326 T HN 0.270 nan 8.240 nan 0.000 0.534 327 I N -0.507 120.028 120.570 -0.058 0.000 3.718 327 I HA 0.447 4.617 4.170 -0.000 0.000 0.297 327 I C -0.383 175.408 176.117 -0.543 0.000 1.220 327 I CA 0.074 61.225 61.300 -0.249 0.000 1.381 327 I CB -0.069 37.862 38.000 -0.114 0.000 1.238 327 I HN 0.201 nan 8.210 nan 0.000 0.448 328 F N 1.834 121.749 119.950 -0.058 0.000 2.902 328 F HA 0.330 4.857 4.527 0.000 0.000 0.368 328 F C -0.121 175.602 175.800 -0.128 0.000 1.202 328 F CA -0.757 57.192 58.000 -0.085 0.000 1.109 328 F CB 0.896 39.832 39.000 -0.106 0.000 1.418 328 F HN -0.127 nan 8.300 nan 0.000 0.527 329 E N 2.484 122.719 120.200 0.057 0.000 1.932 329 E HA 0.325 4.675 4.350 -0.000 0.000 0.275 329 E C 0.038 176.668 176.600 0.051 0.000 1.159 329 E CA 0.006 56.438 56.400 0.054 0.000 0.905 329 E CB 0.133 29.880 29.700 0.078 0.000 1.059 329 E HN 0.773 nan 8.360 nan 0.000 0.400 330 N N 1.440 120.115 118.700 -0.041 0.000 2.462 330 N HA -0.157 4.583 4.740 -0.000 0.000 0.322 330 N C 0.138 175.578 175.510 -0.116 0.000 1.637 330 N CA -0.344 52.710 53.050 0.007 0.000 3.238 330 N CB -0.411 38.097 38.487 0.035 0.000 1.548 330 N HN 0.175 nan 8.380 nan 0.000 1.131 331 R N 0.530 120.803 120.500 -0.377 0.000 4.792 331 R HA 0.336 4.676 4.340 -0.000 0.000 0.205 331 R C -0.865 175.164 176.300 -0.453 0.000 1.875 331 R CA 0.086 55.958 56.100 -0.380 0.000 1.588 331 R CB -0.745 29.349 30.300 -0.344 0.000 1.401 331 R HN 0.362 nan 8.270 nan 0.000 0.834 332 F N -0.099 119.891 119.950 0.067 0.000 2.815 332 F HA 0.136 4.663 4.527 -0.000 0.000 0.335 332 F C 1.154 176.846 175.800 -0.179 0.000 1.179 332 F CA -0.676 57.278 58.000 -0.077 0.000 1.204 332 F CB 0.722 39.661 39.000 -0.101 0.000 1.050 332 F HN 0.142 nan 8.300 nan 0.000 0.510 333 M N 0.236 119.902 119.600 0.110 0.000 2.267 333 M HA -0.176 4.304 4.480 -0.000 0.000 0.263 333 M C 2.470 178.791 176.300 0.035 0.000 1.063 333 M CA 1.567 56.900 55.300 0.055 0.000 1.090 333 M CB -1.335 31.290 32.600 0.041 0.000 1.392 333 M HN 0.408 nan 8.290 nan 0.000 0.422 334 H N -0.660 118.440 119.070 0.049 0.000 2.462 334 H HA 0.072 4.628 4.556 -0.000 0.000 0.292 334 H C 2.059 177.411 175.328 0.041 0.000 1.049 334 H CA 1.015 57.083 56.048 0.033 0.000 1.334 334 H CB -1.373 28.408 29.762 0.033 0.000 1.404 334 H HN 0.212 nan 8.280 nan 0.000 0.544 335 V N 2.419 122.051 119.914 -0.469 0.000 2.282 335 V HA -0.193 3.927 4.120 -0.000 0.000 0.249 335 V C -0.257 175.769 176.094 -0.113 0.000 1.057 335 V CA 2.362 64.499 62.300 -0.272 0.000 1.032 335 V CB -1.470 30.180 31.823 -0.290 0.000 0.645 335 V HN 0.413 nan 8.190 nan 0.000 0.447 336 P HA -0.091 nan 4.420 nan 0.000 0.217 336 P C 1.603 178.888 177.300 -0.025 0.000 1.150 336 P CA 1.100 64.175 63.100 -0.041 0.000 0.832 336 P CB -0.009 31.676 31.700 -0.025 0.000 0.787 337 E N -0.414 119.778 120.200 -0.012 0.000 2.072 337 E HA -0.066 4.284 4.350 -0.000 0.000 0.190 337 E C 2.132 178.730 176.600 -0.002 0.000 0.982 337 E CA 0.910 57.312 56.400 0.002 0.000 0.803 337 E CB -0.935 28.778 29.700 0.022 0.000 0.755 337 E HN 0.309 nan 8.360 nan 0.000 0.453 338 L N 0.538 121.762 121.223 0.002 0.000 2.093 338 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 338 L C 2.503 179.349 176.870 -0.040 0.000 1.085 338 L CA 0.726 55.563 54.840 -0.005 0.000 0.755 338 L CB -0.335 41.736 42.059 0.021 0.000 0.904 338 L HN 0.079 nan 8.230 nan 0.000 0.435 339 I N -0.565 119.976 120.570 -0.048 0.000 2.361 339 I HA -0.255 3.915 4.170 -0.000 0.000 0.251 339 I C 2.526 178.608 176.117 -0.058 0.000 1.133 339 I CA 1.088 62.349 61.300 -0.066 0.000 1.413 339 I CB -0.270 37.705 38.000 -0.042 0.000 1.073 339 I HN 0.205 nan 8.210 nan 0.000 0.424 340 R N 0.190 120.670 120.500 -0.035 0.000 2.237 340 R HA -0.025 4.315 4.340 -0.000 0.000 0.219 340 R C 1.875 178.157 176.300 -0.030 0.000 1.080 340 R CA 0.899 56.984 56.100 -0.025 0.000 0.995 340 R CB -0.121 30.172 30.300 -0.012 0.000 0.875 340 R HN 0.402 nan 8.270 nan 0.000 0.462 341 M N -0.834 118.742 119.600 -0.038 0.000 2.561 341 M HA 0.121 4.601 4.480 -0.000 0.000 0.238 341 M C 0.618 176.881 176.300 -0.063 0.000 1.131 341 M CA 0.497 55.774 55.300 -0.038 0.000 1.046 341 M CB 1.068 33.652 32.600 -0.027 0.000 1.532 341 M HN 0.392 nan 8.290 nan 0.000 0.497 342 G N 0.538 109.278 108.800 -0.100 0.000 2.138 342 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.193 342 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.193 342 G C 0.038 174.754 174.900 -0.307 0.000 0.998 342 G CA -0.102 44.901 45.100 -0.162 0.000 0.668 342 G HN 0.610 nan 8.290 nan 0.000 0.516 343 A N 0.125 122.785 122.820 -0.266 0.000 2.257 343 A HA 0.766 5.086 4.320 -0.000 0.000 0.289 343 A C -0.076 177.250 177.584 -0.431 0.000 1.095 343 A CA -0.347 51.525 52.037 -0.275 0.000 0.836 343 A CB 0.529 19.461 19.000 -0.113 0.000 1.111 343 A HN 0.503 nan 8.150 nan 0.000 0.497 344 H N -0.113 118.974 119.070 0.027 0.000 2.887 344 H HA 0.645 5.201 4.556 -0.000 0.000 0.300 344 H C -0.355 174.976 175.328 0.004 0.000 1.038 344 H CA 0.233 56.314 56.048 0.055 0.000 1.352 344 H CB 1.077 30.911 29.762 0.121 0.000 1.473 344 H HN 0.906 nan 8.280 nan 0.000 0.503 345 A N 2.699 125.561 122.820 0.070 0.000 2.587 345 A HA 0.688 5.008 4.320 -0.000 0.000 0.293 345 A C -1.058 176.488 177.584 -0.064 0.000 1.087 345 A CA -0.781 51.209 52.037 -0.078 0.000 0.692 345 A CB 2.088 21.022 19.000 -0.110 0.000 1.291 345 A HN 0.509 nan 8.150 nan 0.000 0.407 346 E N 0.343 120.465 120.200 -0.130 0.000 2.275 346 E HA 0.579 4.929 4.350 -0.000 0.000 0.270 346 E C -1.239 175.257 176.600 -0.172 0.000 0.882 346 E CA -0.139 56.201 56.400 -0.100 0.000 0.758 346 E CB 1.992 31.666 29.700 -0.043 0.000 1.195 346 E HN 0.553 nan 8.360 nan 0.000 0.419 347 I N 2.341 122.806 120.570 -0.174 0.000 2.385 347 I HA 0.371 4.541 4.170 -0.000 0.000 0.294 347 I C -0.240 175.785 176.117 -0.154 0.000 0.988 347 I CA -0.371 60.778 61.300 -0.252 0.000 1.265 347 I CB 1.168 39.025 38.000 -0.239 0.000 1.388 347 I HN 0.384 nan 8.210 nan 0.000 0.480 348 E N 4.725 124.832 120.200 -0.155 0.000 2.378 348 E HA 0.340 4.690 4.350 -0.000 0.000 0.282 348 E C -0.564 176.009 176.600 -0.045 0.000 0.910 348 E CA -0.283 56.072 56.400 -0.075 0.000 0.816 348 E CB 1.846 31.509 29.700 -0.061 0.000 1.359 348 E HN 0.711 nan 8.360 nan 0.000 0.397 349 S N 3.190 118.888 115.700 -0.003 0.000 3.583 349 S HA -0.249 4.221 4.470 -0.000 0.000 0.629 349 S C 0.277 174.933 174.600 0.093 0.000 2.549 349 S CA 1.408 59.631 58.200 0.038 0.000 3.665 349 S CB -0.781 62.434 63.200 0.025 0.000 0.265 349 S HN 0.897 nan 8.310 nan 0.000 1.206 350 N N 2.215 120.993 118.700 0.130 0.000 2.623 350 N HA 0.257 4.997 4.740 -0.000 0.000 0.263 350 N C -0.083 175.589 175.510 0.270 0.000 1.218 350 N CA 0.796 54.008 53.050 0.271 0.000 0.949 350 N CB -0.560 38.038 38.487 0.186 0.000 1.270 350 N HN 0.995 nan 8.380 nan 0.000 0.507 351 T N -3.839 110.731 114.554 0.027 0.000 2.889 351 T HA 0.556 4.906 4.350 -0.000 0.000 0.315 351 T C -1.183 173.262 174.700 -0.425 0.000 1.291 351 T CA -0.746 61.286 62.100 -0.114 0.000 1.028 351 T CB 1.568 70.406 68.868 -0.051 0.000 1.235 351 T HN -0.142 nan 8.240 nan 0.000 0.491 352 V N 3.018 122.681 119.914 -0.418 0.000 2.540 352 V HA 0.522 4.642 4.120 -0.000 0.000 0.302 352 V C -0.571 175.379 176.094 -0.239 0.000 1.035 352 V CA -1.017 61.027 62.300 -0.427 0.000 0.873 352 V CB 1.673 33.202 31.823 -0.490 0.000 0.992 352 V HN 0.831 nan 8.190 nan 0.000 0.428 353 I N 3.704 124.132 120.570 -0.236 0.000 2.304 353 I HA 0.371 4.541 4.170 -0.000 0.000 0.291 353 I C -0.092 175.793 176.117 -0.387 0.000 1.018 353 I CA -0.137 61.014 61.300 -0.249 0.000 1.260 353 I CB 1.033 38.912 38.000 -0.202 0.000 1.390 353 I HN 0.568 nan 8.210 nan 0.000 0.475 354 C N 6.168 125.264 119.300 -0.340 0.000 2.322 354 C HA 0.448 4.908 4.460 -0.000 0.000 0.324 354 C C 0.146 174.951 174.990 -0.307 0.000 1.284 354 C CA -0.711 58.123 59.018 -0.307 0.000 1.606 354 C CB 0.224 27.899 27.740 -0.108 0.000 2.251 354 C HN 0.587 nan 8.230 nan 0.000 0.502 355 H N 1.592 120.688 119.070 0.043 0.000 2.673 355 H HA 0.360 4.916 4.556 -0.000 0.000 0.293 355 H C 0.619 175.990 175.328 0.072 0.000 1.065 355 H CA -0.073 56.006 56.048 0.051 0.000 1.236 355 H CB 1.001 30.795 29.762 0.053 0.000 1.389 355 H HN 0.935 nan 8.280 nan 0.000 0.481 356 G N 2.100 110.984 108.800 0.139 0.000 2.432 356 G HA2 0.316 4.276 3.960 -0.000 0.000 0.239 356 G HA3 0.316 4.276 3.960 -0.000 0.000 0.239 356 G C 0.444 175.409 174.900 0.109 0.000 1.291 356 G CA -0.197 44.961 45.100 0.096 0.000 0.863 356 G HN 0.477 nan 8.290 nan 0.000 0.560 357 V N -0.075 119.888 119.914 0.082 0.000 3.103 357 V HA 0.556 4.676 4.120 -0.000 0.000 0.318 357 V C 0.892 177.012 176.094 0.043 0.000 1.114 357 V CA -0.741 61.607 62.300 0.080 0.000 1.020 357 V CB 1.914 33.775 31.823 0.063 0.000 1.085 357 V HN 0.787 nan 8.190 nan 0.000 0.446 358 E N 0.481 120.704 120.200 0.038 0.000 2.046 358 E HA 0.024 4.374 4.350 -0.000 0.000 0.190 358 E C 0.561 177.169 176.600 0.013 0.000 0.982 358 E CA 1.290 57.704 56.400 0.024 0.000 0.800 358 E CB 0.214 29.928 29.700 0.024 0.000 0.756 358 E HN 0.664 nan 8.360 nan 0.000 0.449 359 K N 0.202 120.607 120.400 0.008 0.000 2.523 359 K HA 0.323 4.643 4.320 -0.000 0.000 0.257 359 K C -1.383 175.210 176.600 -0.012 0.000 0.932 359 K CA -0.444 55.842 56.287 -0.001 0.000 0.812 359 K CB 1.339 33.839 32.500 0.001 0.000 1.326 359 K HN -0.096 nan 8.250 nan 0.000 0.433 360 L N 1.307 122.520 121.223 -0.017 0.000 2.431 360 L HA 0.482 4.822 4.340 -0.000 0.000 0.260 360 L C 0.068 176.925 176.870 -0.020 0.000 1.098 360 L CA -0.835 53.989 54.840 -0.027 0.000 0.800 360 L CB 1.824 43.867 42.059 -0.027 0.000 1.210 360 L HN 0.585 nan 8.230 nan 0.000 0.465 361 S N -0.759 114.927 115.700 -0.023 0.000 2.536 361 S HA 0.563 5.033 4.470 -0.000 0.000 0.298 361 S C -0.007 174.586 174.600 -0.012 0.000 1.083 361 S CA -0.613 57.578 58.200 -0.015 0.000 0.995 361 S CB 1.885 65.076 63.200 -0.014 0.000 1.058 361 S HN 0.759 nan 8.310 nan 0.000 0.488 362 G N 1.113 109.909 108.800 -0.007 0.000 2.554 362 G HA2 0.532 4.492 3.960 -0.000 0.000 0.238 362 G HA3 0.532 4.492 3.960 -0.000 0.000 0.238 362 G C -0.275 174.625 174.900 -0.001 0.000 1.259 362 G CA 0.322 45.420 45.100 -0.003 0.000 0.843 362 G HN 1.036 nan 8.290 nan 0.000 0.582 363 A N 1.059 123.881 122.820 0.003 0.000 2.544 363 A HA 0.615 4.935 4.320 -0.000 0.000 0.291 363 A C -0.696 176.894 177.584 0.010 0.000 1.055 363 A CA -0.754 51.285 52.037 0.004 0.000 0.651 363 A CB 0.712 19.712 19.000 -0.000 0.000 1.296 363 A HN 0.658 nan 8.150 nan 0.000 0.431 364 Q N 0.352 120.159 119.800 0.011 0.000 2.295 364 Q HA 0.499 4.839 4.340 -0.000 0.000 0.259 364 Q C -0.062 175.946 176.000 0.014 0.000 0.976 364 Q CA -0.331 55.481 55.803 0.015 0.000 0.923 364 Q CB 1.349 30.096 28.738 0.014 0.000 1.185 364 Q HN 1.015 nan 8.270 nan 0.000 0.410 365 V N -0.271 119.653 119.914 0.017 0.000 3.141 365 V HA 0.824 4.944 4.120 -0.000 0.000 0.312 365 V C -0.713 175.390 176.094 0.015 0.000 1.157 365 V CA -1.048 61.261 62.300 0.015 0.000 1.041 365 V CB 2.555 34.387 31.823 0.015 0.000 1.071 365 V HN 0.785 nan 8.190 nan 0.000 0.441 366 M N 1.456 121.062 119.600 0.009 0.000 2.523 366 M HA 0.804 5.284 4.480 -0.000 0.000 0.287 366 M C -1.935 174.355 176.300 -0.017 0.000 1.160 366 M CA 0.029 55.329 55.300 0.000 0.000 0.902 366 M CB 1.768 34.374 32.600 0.009 0.000 1.752 366 M HN 1.684 nan 8.290 nan 0.000 0.504 367 A N 1.620 124.407 122.820 -0.055 0.000 2.549 367 A HA 0.665 4.985 4.320 -0.000 0.000 0.297 367 A C 0.184 177.615 177.584 -0.254 0.000 1.061 367 A CA 0.186 52.163 52.037 -0.100 0.000 0.690 367 A CB 1.208 20.168 19.000 -0.066 0.000 1.287 367 A HN 0.966 nan 8.150 nan 0.000 0.402 368 T N -2.045 112.310 114.554 -0.332 0.000 3.060 368 T HA 0.189 4.539 4.350 -0.000 0.000 0.249 368 T C 0.186 174.413 174.700 -0.788 0.000 1.079 368 T CA 0.963 62.637 62.100 -0.709 0.000 1.013 368 T CB -0.416 68.253 68.868 -0.332 0.000 0.975 368 T HN 0.669 nan 8.240 nan 0.000 0.518 369 D N 0.516 120.670 120.400 -0.410 0.000 2.198 369 D HA 0.333 4.973 4.640 -0.000 0.000 0.245 369 D C 1.257 177.428 176.300 -0.216 0.000 1.079 369 D CA -0.804 53.027 54.000 -0.281 0.000 0.854 369 D CB 1.274 41.959 40.800 -0.192 0.000 1.148 369 D HN -0.024 nan 8.370 nan 0.000 0.456 370 L N 4.592 125.742 121.223 -0.122 0.000 2.010 370 L HA -0.245 4.095 4.340 -0.000 0.000 0.219 370 L C 1.875 178.769 176.870 0.040 0.000 1.077 370 L CA 1.832 56.679 54.840 0.012 0.000 0.773 370 L CB -0.354 41.746 42.059 0.069 0.000 0.892 370 L HN 0.486 nan 8.230 nan 0.000 0.436 371 R N 0.057 120.560 120.500 0.004 0.000 2.090 371 R HA 0.079 4.419 4.340 -0.000 0.000 0.228 371 R C 2.247 178.490 176.300 -0.094 0.000 1.110 371 R CA 1.264 57.364 56.100 0.001 0.000 0.973 371 R CB -1.561 28.726 30.300 -0.023 0.000 0.869 371 R HN 0.563 nan 8.270 nan 0.000 0.440 372 A N 0.665 123.405 122.820 -0.134 0.000 1.930 372 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 372 A C 2.410 179.938 177.584 -0.094 0.000 1.175 372 A CA 1.767 53.711 52.037 -0.155 0.000 0.627 372 A CB -0.509 18.442 19.000 -0.082 0.000 0.815 372 A HN 0.324 nan 8.150 nan 0.000 0.443 373 S N -0.354 115.290 115.700 -0.095 0.000 2.368 373 S HA -0.022 4.448 4.470 -0.000 0.000 0.224 373 S C 2.190 176.740 174.600 -0.082 0.000 1.029 373 S CA 1.489 59.644 58.200 -0.075 0.000 0.988 373 S CB -0.447 62.707 63.200 -0.077 0.000 0.838 373 S HN 0.792 nan 8.310 nan 0.000 0.462 374 A N 0.683 123.421 122.820 -0.136 0.000 1.933 374 A HA -0.021 4.299 4.320 -0.000 0.000 0.218 374 A C 2.385 179.858 177.584 -0.185 0.000 1.175 374 A CA 2.035 53.923 52.037 -0.248 0.000 0.628 374 A CB -1.036 17.708 19.000 -0.427 0.000 0.814 374 A HN 0.566 nan 8.150 nan 0.000 0.444 375 S N -0.081 115.538 115.700 -0.135 0.000 2.382 375 S HA -0.076 4.394 4.470 -0.000 0.000 0.228 375 S C 1.754 176.312 174.600 -0.069 0.000 1.027 375 S CA 1.386 59.522 58.200 -0.107 0.000 0.991 375 S CB -0.420 62.715 63.200 -0.107 0.000 0.823 375 S HN 0.529 nan 8.310 nan 0.000 0.469 376 L N 0.942 122.138 121.223 -0.046 0.000 2.141 376 L HA -0.049 4.291 4.340 -0.000 0.000 0.209 376 L C 2.235 179.089 176.870 -0.026 0.000 1.094 376 L CA 0.626 55.456 54.840 -0.017 0.000 0.763 376 L CB -0.593 41.468 42.059 0.003 0.000 0.908 376 L HN 0.198 nan 8.230 nan 0.000 0.437 377 V N 0.061 119.948 119.914 -0.046 0.000 2.358 377 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 377 V C 2.376 178.414 176.094 -0.094 0.000 1.047 377 V CA 1.465 63.731 62.300 -0.057 0.000 1.035 377 V CB -0.276 31.495 31.823 -0.087 0.000 0.658 377 V HN 0.342 nan 8.190 nan 0.000 0.452 378 L N 0.088 121.241 121.223 -0.117 0.000 2.046 378 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 378 L C 2.752 179.580 176.870 -0.071 0.000 1.077 378 L CA 1.571 56.346 54.840 -0.109 0.000 0.747 378 L CB -0.868 41.113 42.059 -0.130 0.000 0.896 378 L HN 0.376 nan 8.230 nan 0.000 0.432 379 A N 0.454 123.241 122.820 -0.055 0.000 1.933 379 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 379 A C 2.383 179.949 177.584 -0.030 0.000 1.175 379 A CA 1.729 53.746 52.037 -0.034 0.000 0.628 379 A CB -1.138 17.851 19.000 -0.018 0.000 0.814 379 A HN 0.453 nan 8.150 nan 0.000 0.444 380 G N -1.151 107.631 108.800 -0.030 0.000 2.422 380 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.218 380 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.218 380 G C 1.490 176.371 174.900 -0.031 0.000 1.140 380 G CA 1.238 46.325 45.100 -0.023 0.000 0.775 380 G HN 0.530 nan 8.290 nan 0.000 0.545 381 C N 0.820 120.093 119.300 -0.045 0.000 2.440 381 C HA 0.034 4.494 4.460 -0.000 0.000 0.278 381 C C 2.688 177.658 174.990 -0.032 0.000 1.295 381 C CA 0.843 59.834 59.018 -0.044 0.000 1.738 381 C CB -0.891 26.815 27.740 -0.055 0.000 1.987 381 C HN 0.657 nan 8.230 nan 0.000 0.492 382 I N -0.585 119.967 120.570 -0.031 0.000 3.783 382 I HA 0.321 4.491 4.170 -0.000 0.000 0.310 382 I C 1.127 177.233 176.117 -0.018 0.000 1.274 382 I CA 0.014 61.300 61.300 -0.023 0.000 1.294 382 I CB -0.465 37.520 38.000 -0.025 0.000 1.051 382 I HN 0.073 nan 8.210 nan 0.000 0.435 383 A N 1.812 124.621 122.820 -0.019 0.000 2.351 383 A HA 0.274 4.594 4.320 -0.000 0.000 0.257 383 A C 0.006 177.584 177.584 -0.011 0.000 1.087 383 A CA -0.198 51.830 52.037 -0.015 0.000 0.798 383 A CB 0.278 19.269 19.000 -0.015 0.000 1.033 383 A HN 0.404 nan 8.150 nan 0.000 0.488 384 E N 0.549 120.744 120.200 -0.009 0.000 2.324 384 E HA 0.457 4.807 4.350 -0.000 0.000 0.271 384 E C 0.850 177.447 176.600 -0.005 0.000 1.028 384 E CA 1.543 57.939 56.400 -0.006 0.000 0.890 384 E CB -0.058 29.639 29.700 -0.004 0.000 1.004 384 E HN 1.680 nan 8.360 nan 0.000 0.431 385 G N 3.292 112.090 108.800 -0.003 0.000 2.568 385 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.222 385 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.222 385 G C -0.498 174.402 174.900 -0.001 0.000 1.321 385 G CA -0.312 44.787 45.100 -0.001 0.000 0.893 385 G HN 0.678 nan 8.290 nan 0.000 0.569 386 T N 1.311 115.866 114.554 0.003 0.000 2.795 386 T HA 0.668 5.018 4.350 -0.000 0.000 0.282 386 T C 0.057 174.762 174.700 0.009 0.000 0.980 386 T CA 0.451 62.555 62.100 0.006 0.000 1.012 386 T CB 1.475 70.349 68.868 0.010 0.000 0.936 386 T HN 0.749 nan 8.240 nan 0.000 0.457 387 T N 2.536 117.098 114.554 0.012 0.000 2.863 387 T HA 0.582 4.932 4.350 -0.000 0.000 0.285 387 T C -0.681 174.039 174.700 0.032 0.000 1.009 387 T CA -0.515 61.595 62.100 0.016 0.000 0.989 387 T CB 1.459 70.333 68.868 0.010 0.000 1.004 387 T HN 0.313 nan 8.240 nan 0.000 0.455 388 V N 3.459 123.395 119.914 0.036 0.000 2.409 388 V HA 0.385 4.505 4.120 -0.000 0.000 0.290 388 V C -0.396 175.729 176.094 0.053 0.000 1.017 388 V CA -0.733 61.598 62.300 0.051 0.000 0.841 388 V CB 1.748 33.595 31.823 0.039 0.000 1.003 388 V HN 0.722 nan 8.190 nan 0.000 0.426 389 V N 4.267 124.231 119.914 0.082 0.000 2.348 389 V HA 0.349 4.469 4.120 -0.000 0.000 0.270 389 V C 0.135 176.250 176.094 0.035 0.000 1.037 389 V CA -0.377 61.964 62.300 0.068 0.000 0.872 389 V CB 1.425 33.314 31.823 0.110 0.000 1.002 389 V HN 0.817 nan 8.190 nan 0.000 0.464 390 D N 3.838 124.248 120.400 0.017 0.000 2.354 390 D HA 0.300 4.940 4.640 -0.000 0.000 0.247 390 D C 0.695 176.996 176.300 0.001 0.000 1.138 390 D CA -0.378 53.626 54.000 0.007 0.000 0.958 390 D CB 0.663 41.477 40.800 0.023 0.000 1.144 390 D HN 0.508 nan 8.370 nan 0.000 0.458 391 R N 1.089 121.603 120.500 0.024 0.000 3.251 391 R HA -0.166 4.174 4.340 -0.000 0.000 0.249 391 R C 1.148 177.394 176.300 -0.089 0.000 0.949 391 R CA 0.554 56.687 56.100 0.054 0.000 0.645 391 R CB -2.157 28.216 30.300 0.121 0.000 1.065 391 R HN 0.521 nan 8.270 nan 0.000 0.452 392 I N -2.375 118.104 120.570 -0.151 0.000 3.444 392 I HA -0.135 4.035 4.170 -0.000 0.000 0.287 392 I C 1.991 177.993 176.117 -0.191 0.000 1.302 392 I CA 0.427 61.585 61.300 -0.236 0.000 1.368 392 I CB -0.452 37.177 38.000 -0.618 0.000 1.048 392 I HN 0.337 nan 8.210 nan 0.000 0.487 393 Y N 0.436 120.635 120.300 -0.168 0.000 2.403 393 Y HA -0.165 4.385 4.550 -0.000 0.000 0.291 393 Y C 2.345 178.160 175.900 -0.140 0.000 1.143 393 Y CA 1.067 59.063 58.100 -0.173 0.000 1.257 393 Y CB -1.364 36.968 38.460 -0.214 0.000 0.984 393 Y HN 0.177 nan 8.280 nan 0.000 0.550 394 H N 0.718 119.431 119.070 -0.595 0.000 2.321 394 H HA -0.103 4.453 4.556 -0.000 0.000 0.300 394 H C 2.315 177.591 175.328 -0.087 0.000 1.087 394 H CA 2.068 57.900 56.048 -0.361 0.000 1.319 394 H CB -0.166 29.360 29.762 -0.393 0.000 1.379 394 H HN 0.449 nan 8.280 nan 0.000 0.501 395 I N 1.040 121.650 120.570 0.066 0.000 2.142 395 I HA -0.254 3.916 4.170 -0.000 0.000 0.240 395 I C 2.092 178.332 176.117 0.206 0.000 1.078 395 I CA 1.237 62.627 61.300 0.150 0.000 1.343 395 I CB -0.251 37.798 38.000 0.082 0.000 1.046 395 I HN 0.074 nan 8.210 nan 0.000 0.405 396 D N 0.855 121.329 120.400 0.124 0.000 2.203 396 D HA -0.194 4.446 4.640 -0.000 0.000 0.199 396 D C 2.284 178.664 176.300 0.133 0.000 0.997 396 D CA 1.270 55.350 54.000 0.135 0.000 0.863 396 D CB -0.265 40.586 40.800 0.085 0.000 0.928 396 D HN 0.356 nan 8.370 nan 0.000 0.458 397 R N -0.501 120.069 120.500 0.117 0.000 2.189 397 R HA 0.074 4.414 4.340 -0.000 0.000 0.218 397 R C 2.053 178.402 176.300 0.082 0.000 1.074 397 R CA 1.094 57.251 56.100 0.094 0.000 0.991 397 R CB 0.044 30.396 30.300 0.087 0.000 0.883 397 R HN 0.146 nan 8.270 nan 0.000 0.457 398 G N -1.314 107.553 108.800 0.112 0.000 2.944 398 G HA2 0.050 4.010 3.960 -0.000 0.000 0.220 398 G HA3 0.050 4.010 3.960 -0.000 0.000 0.220 398 G C -0.304 174.534 174.900 -0.104 0.000 1.100 398 G CA -0.163 44.938 45.100 0.003 0.000 0.780 398 G HN 0.053 nan 8.290 nan 0.000 0.539 399 Y N 0.584 120.919 120.300 0.057 0.000 2.364 399 Y HA 0.468 5.018 4.550 -0.000 0.000 0.340 399 Y C -0.002 175.955 175.900 0.094 0.000 0.975 399 Y CA -1.160 56.987 58.100 0.079 0.000 1.089 399 Y CB 1.847 40.354 38.460 0.079 0.000 1.192 399 Y HN -0.063 nan 8.280 nan 0.000 0.454 400 E N 4.577 124.914 120.200 0.229 0.000 2.180 400 E HA 0.164 4.514 4.350 -0.000 0.000 0.283 400 E C -0.160 176.553 176.600 0.189 0.000 1.061 400 E CA -0.502 55.997 56.400 0.165 0.000 0.861 400 E CB 0.331 30.093 29.700 0.104 0.000 1.056 400 E HN 0.701 nan 8.360 nan 0.000 0.407 401 R N 3.499 124.100 120.500 0.168 0.000 3.109 401 R HA -0.247 4.093 4.340 -0.000 0.000 0.241 401 R C 0.374 176.775 176.300 0.168 0.000 0.882 401 R CA 0.497 56.688 56.100 0.152 0.000 0.604 401 R CB -2.192 28.168 30.300 0.100 0.000 1.040 401 R HN 0.746 nan 8.270 nan 0.000 0.480 402 I N 0.269 120.964 120.570 0.208 0.000 2.361 402 I HA -0.280 3.890 4.170 -0.000 0.000 0.251 402 I C 2.508 178.653 176.117 0.046 0.000 1.133 402 I CA 2.048 63.458 61.300 0.184 0.000 1.413 402 I CB -0.077 37.950 38.000 0.045 0.000 1.073 402 I HN 0.679 nan 8.210 nan 0.000 0.424 403 E N 0.739 120.926 120.200 -0.023 0.000 2.031 403 E HA -0.286 4.064 4.350 -0.000 0.000 0.193 403 E C 1.643 178.204 176.600 -0.064 0.000 0.994 403 E CA 1.819 58.114 56.400 -0.176 0.000 0.800 403 E CB -0.043 29.606 29.700 -0.085 0.000 0.752 403 E HN 0.507 nan 8.360 nan 0.000 0.447 404 D N 0.469 120.874 120.400 0.008 0.000 2.117 404 D HA -0.142 4.498 4.640 -0.000 0.000 0.197 404 D C 1.905 178.202 176.300 -0.006 0.000 0.987 404 D CA 1.071 55.074 54.000 0.004 0.000 0.829 404 D CB -0.079 40.733 40.800 0.020 0.000 0.961 404 D HN 0.239 nan 8.370 nan 0.000 0.460 405 K N 0.352 120.763 120.400 0.019 0.000 2.097 405 K HA -0.021 4.299 4.320 -0.000 0.000 0.205 405 K C 2.384 178.997 176.600 0.020 0.000 1.050 405 K CA 0.465 56.734 56.287 -0.030 0.000 0.938 405 K CB -0.054 32.410 32.500 -0.059 0.000 0.718 405 K HN 0.129 nan 8.250 nan 0.000 0.442 406 L N 0.659 121.938 121.223 0.093 0.000 2.093 406 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 406 L C 2.746 179.611 176.870 -0.007 0.000 1.085 406 L CA 0.969 55.851 54.840 0.071 0.000 0.755 406 L CB -0.283 41.763 42.059 -0.023 0.000 0.904 406 L HN 0.174 nan 8.230 nan 0.000 0.435 407 R N 0.484 120.963 120.500 -0.036 0.000 2.096 407 R HA -0.162 4.178 4.340 -0.000 0.000 0.235 407 R C 2.167 178.449 176.300 -0.030 0.000 1.127 407 R CA 1.383 57.459 56.100 -0.039 0.000 0.968 407 R CB -0.208 30.068 30.300 -0.040 0.000 0.861 407 R HN 0.320 nan 8.270 nan 0.000 0.440 408 A N 0.403 123.203 122.820 -0.033 0.000 2.172 408 A HA -0.013 4.307 4.320 -0.000 0.000 0.216 408 A C 1.714 179.275 177.584 -0.038 0.000 1.154 408 A CA 0.770 52.784 52.037 -0.040 0.000 0.701 408 A CB -0.136 18.830 19.000 -0.056 0.000 0.789 408 A HN 0.360 nan 8.150 nan 0.000 0.465 409 L N -1.877 119.330 121.223 -0.026 0.000 2.667 409 L HA 0.310 4.650 4.340 -0.000 0.000 0.232 409 L C 1.518 178.380 176.870 -0.013 0.000 1.138 409 L CA 0.523 55.354 54.840 -0.015 0.000 0.921 409 L CB 0.203 42.271 42.059 0.015 0.000 1.180 409 L HN 0.500 nan 8.230 nan 0.000 0.487 410 G N -0.030 108.759 108.800 -0.019 0.000 2.179 410 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.220 410 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.220 410 G C 0.426 175.312 174.900 -0.024 0.000 0.990 410 G CA -0.149 44.939 45.100 -0.019 0.000 0.646 410 G HN 0.426 nan 8.290 nan 0.000 0.517 411 A N 0.116 122.918 122.820 -0.029 0.000 2.462 411 A HA 0.532 4.852 4.320 -0.000 0.000 0.243 411 A C 0.548 178.103 177.584 -0.048 0.000 1.076 411 A CA 0.559 52.569 52.037 -0.044 0.000 0.773 411 A CB 0.307 19.267 19.000 -0.067 0.000 1.010 411 A HN 0.665 nan 8.150 nan 0.000 0.493 412 N N 1.931 120.604 118.700 -0.045 0.000 2.801 412 N HA 0.385 5.125 4.740 -0.000 0.000 0.235 412 N C -1.200 174.281 175.510 -0.048 0.000 1.069 412 N CA -0.081 52.948 53.050 -0.036 0.000 0.946 412 N CB 0.120 38.593 38.487 -0.023 0.000 1.212 412 N HN 0.646 nan 8.380 nan 0.000 0.509 413 I N 1.364 121.894 120.570 -0.066 0.000 2.730 413 I HA 0.464 4.634 4.170 -0.000 0.000 0.298 413 I C -1.378 174.711 176.117 -0.047 0.000 1.089 413 I CA -0.672 60.572 61.300 -0.093 0.000 1.041 413 I CB 1.934 39.796 38.000 -0.230 0.000 1.235 413 I HN 0.466 nan 8.210 nan 0.000 0.423 414 E N 6.705 126.919 120.200 0.023 0.000 2.352 414 E HA 0.369 4.719 4.350 -0.000 0.000 0.280 414 E C -1.636 175.107 176.600 0.239 0.000 0.930 414 E CA -1.071 55.385 56.400 0.094 0.000 0.765 414 E CB 1.769 31.508 29.700 0.065 0.000 1.219 414 E HN 0.618 nan 8.360 nan 0.000 0.434 415 R N 2.276 122.937 120.500 0.268 0.000 2.308 415 R HA 0.398 4.738 4.340 -0.000 0.000 0.305 415 R C -1.184 175.186 176.300 0.118 0.000 1.053 415 R CA -0.437 55.828 56.100 0.274 0.000 0.957 415 R CB 1.195 31.641 30.300 0.244 0.000 1.022 415 R HN 0.432 nan 8.270 nan 0.000 0.461 416 V N 5.831 125.784 119.914 0.066 0.000 2.378 416 V HA 0.288 4.408 4.120 -0.000 0.000 0.288 416 V C 0.086 176.180 176.094 -0.000 0.000 1.016 416 V CA -0.852 61.468 62.300 0.033 0.000 0.840 416 V CB 1.346 33.190 31.823 0.034 0.000 0.994 416 V HN 0.738 nan 8.190 nan 0.000 0.431 417 K N 2.284 122.685 120.400 0.002 0.000 2.102 417 K HA 0.555 4.875 4.320 -0.000 0.000 0.244 417 K C 0.983 177.576 176.600 -0.011 0.000 1.021 417 K CA 0.567 56.847 56.287 -0.011 0.000 0.913 417 K CB 1.177 33.673 32.500 -0.006 0.000 1.062 417 K HN 0.997 nan 8.250 nan 0.000 0.485 418 G N 1.307 110.096 108.800 -0.018 0.000 2.719 418 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.454 418 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.454 418 G C -0.404 174.489 174.900 -0.011 0.000 1.353 418 G CA 0.975 46.065 45.100 -0.017 0.000 0.923 418 G HN 0.941 nan 8.290 nan 0.000 0.554 419 E N 0.000 120.194 120.200 -0.009 0.000 2.725 419 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 419 E CA 0.000 56.398 56.400 -0.004 0.000 0.976 419 E CB 0.000 29.699 29.700 -0.001 0.000 0.812 419 E HN 0.000 nan 8.360 nan 0.000 0.440