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 1clc_1_A DATA FIRST_RESID 35 DATA SEQUENCE IETKVSAAKI TENYQFDSRI RLNSIGFIPN HSKKATIAAN CSTFYVVKED DATA SEQUENCE GTIVYTGTAT SMFDNDTKET VYIADFSSVN EEGTYYLAVP GVGKSVNFKI DATA SEQUENCE AMNVYEDAFK TAMLGMYLLR CGTSVSATYN GIHYSHGPCH TNDAYLDYIN DATA SEQUENCE GQHTKKDSTK GWHDAGDYNK YVVNAGITVG SMFLAWEHFK DQLEPVALEI DATA SEQUENCE PEKNNSIPDF LDELKYEIDW ILTMQYPDGS GRVAHKVSTR NFGGFIMPEN DATA SEQUENCE EHDERFFVPW SSAATADFVA MTAMAARIFR PYDPQYAEKC INAAKVSYEF DATA SEQUENCE LKNNPANVFA NQSGFSTGEY ATVSDADDRL WAAAEMWETL GDEEYLRDFE DATA SEQUENCE NRAAQFSKKI EADFDWDNVA NLGMFTYLLS ERPGKNPALV QSIKDSLLST DATA SEQUENCE ADSIVRTSQN HGYGRTLGTT YYWGCNGTVV RQTMILQVAN KISPNNDYVN DATA SEQUENCE AALDAISHVF GRNYYNRSYV TGLGINPPMN PHDRRSGADG IWEPWPGYLV DATA SEQUENCE GGGWPGPKDW VDIQDSYQTN EIAINWNAAL IYALAGFVNY N 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 35 I HA 0.000 nan 4.170 nan 0.000 0.288 35 I C 0.000 176.112 176.117 -0.009 0.000 1.063 35 I CA 0.000 61.295 61.300 -0.008 0.000 1.566 35 I CB 0.000 37.996 38.000 -0.007 0.000 1.214 36 E N 2.886 123.080 120.200 -0.010 0.000 2.259 36 E HA 0.810 5.160 4.350 -0.000 0.000 0.281 36 E C 0.462 177.057 176.600 -0.010 0.000 1.027 36 E CA 0.031 56.425 56.400 -0.011 0.000 0.838 36 E CB 1.053 30.746 29.700 -0.013 0.000 1.066 36 E HN 2.289 nan 8.360 nan 0.000 0.401 37 T N -1.577 112.972 114.554 -0.009 0.000 2.852 37 T HA 0.328 4.678 4.350 -0.000 0.000 0.281 37 T C 1.174 175.869 174.700 -0.008 0.000 0.993 37 T CA 0.062 62.157 62.100 -0.008 0.000 0.933 37 T CB 0.945 69.809 68.868 -0.007 0.000 1.187 37 T HN 0.548 nan 8.240 nan 0.000 0.559 38 K N -0.041 120.355 120.400 -0.007 0.000 2.504 38 K HA 0.063 4.382 4.320 -0.000 0.000 0.195 38 K C 1.367 177.964 176.600 -0.006 0.000 1.036 38 K CA 1.045 57.328 56.287 -0.006 0.000 0.984 38 K CB -0.433 32.064 32.500 -0.005 0.000 0.788 38 K HN 0.460 nan 8.250 nan 0.000 0.488 39 V N -2.845 117.065 119.914 -0.006 0.000 3.528 39 V HA 0.209 4.329 4.120 -0.000 0.000 0.294 39 V C 0.161 176.251 176.094 -0.007 0.000 1.404 39 V CA -0.784 61.513 62.300 -0.005 0.000 1.065 39 V CB 0.338 32.158 31.823 -0.004 0.000 0.904 39 V HN 0.108 nan 8.190 nan 0.000 0.435 40 S N 2.181 117.876 115.700 -0.009 0.000 2.549 40 S HA 0.693 5.163 4.470 -0.000 0.000 0.283 40 S C 0.480 175.073 174.600 -0.013 0.000 1.320 40 S CA 0.393 58.586 58.200 -0.011 0.000 1.058 40 S CB 1.069 64.261 63.200 -0.013 0.000 0.882 40 S HN 0.951 nan 8.310 nan 0.000 0.498 41 A N 2.369 125.181 122.820 -0.014 0.000 2.282 41 A HA 0.776 5.096 4.320 -0.000 0.000 0.319 41 A C 0.374 177.942 177.584 -0.027 0.000 1.121 41 A CA -0.660 51.367 52.037 -0.017 0.000 0.836 41 A CB 0.337 19.331 19.000 -0.011 0.000 1.146 41 A HN 1.017 nan 8.150 nan 0.000 0.494 42 A N 1.374 124.173 122.820 -0.035 0.000 2.498 42 A HA 0.456 4.776 4.320 -0.000 0.000 0.239 42 A C 0.304 177.850 177.584 -0.064 0.000 1.068 42 A CA 0.382 52.386 52.037 -0.054 0.000 0.766 42 A CB -0.057 18.901 19.000 -0.070 0.000 1.003 42 A HN 0.703 nan 8.150 nan 0.000 0.497 43 K N 1.423 121.782 120.400 -0.068 0.000 2.371 43 K HA 0.400 4.720 4.320 -0.000 0.000 0.251 43 K C -0.845 175.707 176.600 -0.080 0.000 0.934 43 K CA -0.917 55.333 56.287 -0.062 0.000 0.798 43 K CB 2.269 34.749 32.500 -0.033 0.000 1.204 43 K HN 0.628 nan 8.250 nan 0.000 0.427 44 I N 2.429 122.958 120.570 -0.069 0.000 2.752 44 I HA -0.142 4.028 4.170 -0.000 0.000 0.289 44 I C 1.067 177.188 176.117 0.007 0.000 1.197 44 I CA 1.068 62.342 61.300 -0.043 0.000 1.432 44 I CB 0.880 38.929 38.000 0.081 0.000 1.359 44 I HN 0.729 nan 8.210 nan 0.000 0.571 45 T N 4.090 118.640 114.554 -0.006 0.000 2.755 45 T HA 0.126 4.476 4.350 -0.000 0.000 0.251 45 T C 0.880 175.574 174.700 -0.010 0.000 1.044 45 T CA 0.844 62.938 62.100 -0.010 0.000 1.154 45 T CB -0.727 68.126 68.868 -0.025 0.000 0.866 45 T HN 0.713 nan 8.240 nan 0.000 0.416 46 E N 1.951 122.128 120.200 -0.039 0.000 2.371 46 E HA 0.453 4.803 4.350 -0.000 0.000 0.257 46 E C -0.322 176.166 176.600 -0.186 0.000 1.134 46 E CA -0.701 55.596 56.400 -0.171 0.000 0.919 46 E CB 0.002 29.500 29.700 -0.336 0.000 1.025 46 E HN 0.539 nan 8.360 nan 0.000 0.438 47 N N 0.103 118.680 118.700 -0.205 0.000 2.426 47 N HA 0.337 5.077 4.740 -0.000 0.000 0.257 47 N C -1.646 173.758 175.510 -0.177 0.000 1.002 47 N CA -0.265 52.733 53.050 -0.087 0.000 0.942 47 N CB 0.266 38.729 38.487 -0.041 0.000 1.112 47 N HN 0.516 nan 8.380 nan 0.000 0.499 48 Y N 1.199 121.539 120.300 0.067 0.000 2.352 48 Y HA 0.500 5.050 4.550 -0.000 0.000 0.326 48 Y C 0.958 176.873 175.900 0.025 0.000 1.166 48 Y CA -0.406 57.734 58.100 0.065 0.000 1.182 48 Y CB 1.159 39.698 38.460 0.131 0.000 1.216 48 Y HN 0.542 nan 8.280 nan 0.000 0.474 49 Q N 2.558 122.474 119.800 0.193 0.000 2.266 49 Q HA 0.479 4.819 4.340 -0.000 0.000 0.261 49 Q C -1.107 174.978 176.000 0.142 0.000 0.985 49 Q CA -1.066 54.816 55.803 0.132 0.000 0.873 49 Q CB 1.281 30.070 28.738 0.084 0.000 1.306 49 Q HN 0.648 nan 8.270 nan 0.000 0.447 50 F N 1.691 121.670 119.950 0.048 0.000 2.572 50 F HA 0.380 4.907 4.527 -0.000 0.000 0.370 50 F C -0.031 175.808 175.800 0.064 0.000 1.103 50 F CA 0.469 58.500 58.000 0.052 0.000 1.286 50 F CB 0.735 39.757 39.000 0.037 0.000 1.105 50 F HN 0.698 nan 8.300 nan 0.000 0.583 51 D N 3.183 122.928 120.400 -1.091 0.000 2.757 51 D HA 0.289 4.929 4.640 -0.000 0.000 0.249 51 D C 0.052 175.712 176.300 -1.067 0.000 1.168 51 D CA -0.474 53.041 54.000 -0.809 0.000 0.870 51 D CB 1.940 42.549 40.800 -0.319 0.000 1.411 51 D HN 0.472 nan 8.370 nan 0.000 0.525 52 S N 2.033 117.329 115.700 -0.673 0.000 2.500 52 S HA -0.085 4.384 4.470 -0.000 0.000 0.239 52 S C 1.609 176.140 174.600 -0.115 0.000 0.989 52 S CA 0.620 58.677 58.200 -0.239 0.000 0.951 52 S CB -0.045 63.154 63.200 -0.002 0.000 0.759 52 S HN 0.497 nan 8.310 nan 0.000 0.523 53 R N 0.378 120.794 120.500 -0.140 0.000 2.307 53 R HA 0.203 4.543 4.340 -0.000 0.000 0.199 53 R C -0.154 176.139 176.300 -0.013 0.000 1.000 53 R CA 0.441 56.510 56.100 -0.052 0.000 1.023 53 R CB -0.060 30.216 30.300 -0.040 0.000 0.908 53 R HN 0.368 nan 8.270 nan 0.000 0.473 54 I N 1.683 122.231 120.570 -0.036 0.000 2.306 54 I HA 0.189 4.359 4.170 -0.000 0.000 0.288 54 I C -0.369 175.814 176.117 0.110 0.000 1.036 54 I CA -0.353 60.963 61.300 0.027 0.000 1.221 54 I CB 1.157 39.165 38.000 0.014 0.000 1.385 54 I HN -0.160 nan 8.210 nan 0.000 0.472 55 R N 7.146 127.727 120.500 0.135 0.000 2.310 55 R HA 0.748 5.088 4.340 -0.000 0.000 0.324 55 R C -1.194 175.218 176.300 0.186 0.000 0.955 55 R CA -0.622 55.593 56.100 0.191 0.000 0.830 55 R CB 1.333 31.792 30.300 0.265 0.000 1.154 55 R HN 0.447 nan 8.270 nan 0.000 0.458 56 L N -0.808 120.526 121.223 0.185 0.000 2.630 56 L HA 0.522 4.862 4.340 -0.000 0.000 0.258 56 L C -0.621 176.314 176.870 0.109 0.000 1.072 56 L CA -1.231 53.716 54.840 0.179 0.000 0.885 56 L CB 0.725 42.923 42.059 0.233 0.000 1.502 56 L HN 0.279 nan 8.230 nan 0.000 0.406 57 N N 0.747 119.457 118.700 0.017 0.000 2.429 57 N HA -0.012 4.728 4.740 -0.000 0.000 0.271 57 N C 0.814 176.246 175.510 -0.131 0.000 1.272 57 N CA 0.927 53.899 53.050 -0.131 0.000 0.921 57 N CB 0.909 39.138 38.487 -0.430 0.000 1.128 57 N HN 0.850 nan 8.380 nan 0.000 0.481 58 S N 3.781 119.488 115.700 0.011 0.000 2.561 58 S HA -0.004 4.465 4.470 -0.000 0.000 0.225 58 S C 1.706 176.306 174.600 -0.001 0.000 0.977 58 S CA 0.026 58.262 58.200 0.061 0.000 0.926 58 S CB 0.091 63.346 63.200 0.092 0.000 0.769 58 S HN 0.525 nan 8.310 nan 0.000 0.533 59 I N 1.372 121.858 120.570 -0.141 0.000 2.499 59 I HA 0.404 4.574 4.170 -0.000 0.000 0.243 59 I C 1.559 177.579 176.117 -0.162 0.000 1.085 59 I CA 1.391 62.570 61.300 -0.200 0.000 1.422 59 I CB -1.393 36.369 38.000 -0.396 0.000 1.165 59 I HN 0.564 nan 8.210 nan 0.000 0.440 60 G N -0.131 108.451 108.800 -0.363 0.000 2.345 60 G HA2 0.302 4.262 3.960 -0.000 0.000 0.285 60 G HA3 0.302 4.262 3.960 -0.000 0.000 0.285 60 G C -1.779 172.609 174.900 -0.853 0.000 1.297 60 G CA -0.744 44.113 45.100 -0.405 0.000 0.875 60 G HN -0.033 nan 8.290 nan 0.000 0.506 61 F N -0.625 119.299 119.950 -0.044 0.000 2.620 61 F HA 0.778 5.305 4.527 -0.000 0.000 0.320 61 F C 0.322 176.071 175.800 -0.084 0.000 1.069 61 F CA -0.953 56.999 58.000 -0.080 0.000 0.953 61 F CB 2.091 41.061 39.000 -0.050 0.000 1.322 61 F HN 0.330 nan 8.300 nan 0.000 0.479 62 I N 2.580 123.239 120.570 0.148 0.000 2.377 62 I HA 0.359 4.529 4.170 -0.000 0.000 0.293 62 I C -2.463 173.778 176.117 0.206 0.000 0.987 62 I CA -2.198 59.199 61.300 0.161 0.000 1.185 62 I CB 1.942 40.077 38.000 0.225 0.000 1.341 62 I HN 0.192 nan 8.210 nan 0.000 0.455 63 P HA 0.097 nan 4.420 nan 0.000 0.266 63 P C -0.495 176.819 177.300 0.023 0.000 1.195 63 P CA 0.431 63.580 63.100 0.082 0.000 0.768 63 P CB 0.219 31.960 31.700 0.069 0.000 0.838 64 N N -1.556 117.105 118.700 -0.064 0.000 2.967 64 N HA -0.153 4.587 4.740 -0.000 0.000 0.241 64 N C -0.261 175.012 175.510 -0.396 0.000 0.983 64 N CA 0.517 53.446 53.050 -0.201 0.000 0.918 64 N CB -1.232 37.125 38.487 -0.217 0.000 1.109 64 N HN 0.570 nan 8.380 nan 0.000 0.567 65 H N -0.607 118.480 119.070 0.028 0.000 2.834 65 H HA 0.469 5.025 4.556 -0.000 0.000 0.369 65 H C -0.081 175.212 175.328 -0.057 0.000 1.174 65 H CA -0.575 55.483 56.048 0.017 0.000 1.165 65 H CB 1.345 31.137 29.762 0.049 0.000 1.820 65 H HN -0.007 nan 8.280 nan 0.000 0.558 66 S N 1.118 116.868 115.700 0.082 0.000 2.566 66 S HA 0.156 4.626 4.470 -0.000 0.000 0.280 66 S C -0.027 174.464 174.600 -0.183 0.000 1.343 66 S CA -0.014 58.139 58.200 -0.078 0.000 1.036 66 S CB 0.328 63.500 63.200 -0.047 0.000 0.866 66 S HN 0.341 nan 8.310 nan 0.000 0.526 67 K N 1.893 121.984 120.400 -0.515 0.000 2.652 67 K HA 0.417 4.737 4.320 -0.000 0.000 0.249 67 K C -1.162 174.689 176.600 -1.247 0.000 0.986 67 K CA -0.489 55.109 56.287 -1.147 0.000 0.867 67 K CB 1.813 33.181 32.500 -1.887 0.000 1.201 67 K HN 0.442 nan 8.250 nan 0.000 0.450 68 K N 1.084 121.063 120.400 -0.701 0.000 2.482 68 K HA 0.804 5.123 4.320 -0.000 0.000 0.257 68 K C -1.361 175.186 176.600 -0.088 0.000 0.969 68 K CA -0.966 55.101 56.287 -0.366 0.000 0.842 68 K CB 2.417 34.818 32.500 -0.166 0.000 1.359 68 K HN 0.600 nan 8.250 nan 0.000 0.441 69 A N 0.716 123.530 122.820 -0.010 0.000 2.498 69 A HA 0.688 5.008 4.320 -0.000 0.000 0.298 69 A C -1.142 176.424 177.584 -0.030 0.000 1.075 69 A CA -0.622 51.447 52.037 0.053 0.000 0.714 69 A CB 1.829 20.876 19.000 0.078 0.000 1.299 69 A HN 0.490 nan 8.150 nan 0.000 0.407 70 T N 1.797 116.341 114.554 -0.017 0.000 2.779 70 T HA 0.560 4.910 4.350 -0.000 0.000 0.280 70 T C -0.557 174.121 174.700 -0.038 0.000 0.987 70 T CA 0.126 62.153 62.100 -0.122 0.000 0.966 70 T CB 0.297 68.928 68.868 -0.395 0.000 0.933 70 T HN 0.405 nan 8.240 nan 0.000 0.442 71 I N 2.658 123.220 120.570 -0.012 0.000 2.355 71 I HA 0.455 4.625 4.170 -0.000 0.000 0.288 71 I C 0.665 176.844 176.117 0.103 0.000 0.999 71 I CA -0.791 60.535 61.300 0.045 0.000 1.163 71 I CB 1.446 39.471 38.000 0.041 0.000 1.316 71 I HN 0.690 nan 8.210 nan 0.000 0.454 72 A N 5.906 128.775 122.820 0.081 0.000 3.135 72 A HA 0.787 5.107 4.320 -0.000 0.000 0.253 72 A C 0.357 178.002 177.584 0.102 0.000 1.638 72 A CA -0.039 52.060 52.037 0.105 0.000 1.295 72 A CB -0.481 18.572 19.000 0.090 0.000 1.106 72 A HN 0.793 nan 8.150 nan 0.000 0.648 73 A N 0.336 123.238 122.820 0.138 0.000 2.599 73 A HA 0.570 4.890 4.320 -0.000 0.000 0.294 73 A C -0.723 176.824 177.584 -0.062 0.000 1.055 73 A CA -0.787 51.283 52.037 0.055 0.000 0.683 73 A CB 0.471 19.465 19.000 -0.009 0.000 1.278 73 A HN 0.396 nan 8.150 nan 0.000 0.412 74 N N -0.199 118.423 118.700 -0.130 0.000 2.513 74 N HA 0.566 5.306 4.740 -0.000 0.000 0.268 74 N C -0.179 175.033 175.510 -0.498 0.000 1.180 74 N CA 0.910 53.689 53.050 -0.451 0.000 0.948 74 N CB 0.345 38.743 38.487 -0.149 0.000 1.083 74 N HN 1.489 nan 8.380 nan 0.000 0.455 75 C N 0.413 119.251 119.300 -0.770 0.000 3.233 75 C HA 0.772 5.232 4.460 -0.000 0.000 0.358 75 C C 0.546 175.337 174.990 -0.332 0.000 1.461 75 C CA 0.071 58.853 59.018 -0.393 0.000 1.180 75 C CB 0.842 28.417 27.740 -0.274 0.000 1.604 75 C HN 0.728 nan 8.230 nan 0.000 0.437 76 S N -0.845 114.775 115.700 -0.133 0.000 4.428 76 S HA 0.268 4.738 4.470 -0.000 0.000 0.199 76 S C 0.150 174.751 174.600 0.002 0.000 1.156 76 S CA 0.587 58.766 58.200 -0.035 0.000 1.134 76 S CB -0.208 62.969 63.200 -0.039 0.000 1.531 76 S HN 1.114 nan 8.310 nan 0.000 0.551 77 T N 4.175 118.676 114.554 -0.089 0.000 2.897 77 T HA 0.648 4.997 4.350 -0.000 0.000 0.294 77 T C -0.810 173.736 174.700 -0.256 0.000 1.004 77 T CA -0.026 61.935 62.100 -0.232 0.000 1.106 77 T CB 0.128 68.823 68.868 -0.288 0.000 0.949 77 T HN 0.463 nan 8.240 nan 0.000 0.520 78 F N 1.084 120.769 119.950 -0.443 0.000 2.619 78 F HA 0.735 5.261 4.527 -0.000 0.000 0.308 78 F C -2.044 173.441 175.800 -0.524 0.000 1.097 78 F CA -1.766 55.965 58.000 -0.449 0.000 0.953 78 F CB 1.051 39.942 39.000 -0.181 0.000 1.287 78 F HN 0.368 nan 8.300 nan 0.000 0.446 79 Y N 1.486 121.804 120.300 0.030 0.000 2.446 79 Y HA 0.667 5.217 4.550 -0.000 0.000 0.345 79 Y C -0.596 175.308 175.900 0.006 0.000 0.984 79 Y CA -1.761 56.301 58.100 -0.063 0.000 1.058 79 Y CB 2.041 40.432 38.460 -0.115 0.000 1.220 79 Y HN 0.586 nan 8.280 nan 0.000 0.455 80 V N 4.298 124.315 119.914 0.170 0.000 2.364 80 V HA 0.433 4.553 4.120 -0.000 0.000 0.272 80 V C -0.455 175.623 176.094 -0.028 0.000 1.036 80 V CA -0.718 61.578 62.300 -0.006 0.000 0.880 80 V CB 0.868 32.657 31.823 -0.056 0.000 0.991 80 V HN 0.562 nan 8.190 nan 0.000 0.460 81 V N 5.266 125.035 119.914 -0.242 0.000 2.495 81 V HA 0.418 4.538 4.120 -0.000 0.000 0.298 81 V C 0.290 176.170 176.094 -0.356 0.000 1.031 81 V CA -1.185 60.889 62.300 -0.377 0.000 0.871 81 V CB 1.692 33.032 31.823 -0.805 0.000 0.988 81 V HN 0.767 nan 8.190 nan 0.000 0.432 82 K N 2.251 122.539 120.400 -0.188 0.000 2.276 82 K HA 0.102 4.422 4.320 -0.000 0.000 0.259 82 K C 1.367 177.846 176.600 -0.201 0.000 1.001 82 K CA -0.009 56.075 56.287 -0.337 0.000 0.927 82 K CB 0.760 33.083 32.500 -0.295 0.000 0.969 82 K HN 0.915 nan 8.250 nan 0.000 0.490 83 E N 0.790 120.902 120.200 -0.147 0.000 2.265 83 E HA -0.222 4.128 4.350 -0.000 0.000 0.196 83 E C 0.542 177.181 176.600 0.065 0.000 0.996 83 E CA 1.595 58.032 56.400 0.062 0.000 0.832 83 E CB -0.092 29.614 29.700 0.009 0.000 0.756 83 E HN 0.611 nan 8.360 nan 0.000 0.491 84 D N -0.021 120.369 120.400 -0.018 0.000 2.363 84 D HA 0.042 4.682 4.640 -0.000 0.000 0.226 84 D C 1.390 177.701 176.300 0.017 0.000 1.020 84 D CA 0.772 54.769 54.000 -0.004 0.000 0.892 84 D CB 0.410 41.190 40.800 -0.034 0.000 0.900 84 D HN 0.353 nan 8.370 nan 0.000 0.531 85 G N -1.013 107.805 108.800 0.029 0.000 2.195 85 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.224 85 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.224 85 G C 0.349 175.230 174.900 -0.032 0.000 0.990 85 G CA 0.069 45.190 45.100 0.034 0.000 0.639 85 G HN 0.408 nan 8.290 nan 0.000 0.514 86 T N 2.101 116.623 114.554 -0.052 0.000 2.799 86 T HA 0.447 4.797 4.350 -0.000 0.000 0.296 86 T C 0.954 175.616 174.700 -0.063 0.000 0.947 86 T CA 0.171 62.239 62.100 -0.054 0.000 1.141 86 T CB 0.750 69.594 68.868 -0.040 0.000 0.891 86 T HN 0.309 nan 8.240 nan 0.000 0.533 87 I N 4.249 124.773 120.570 -0.077 0.000 2.421 87 I HA 0.055 4.225 4.170 -0.000 0.000 0.291 87 I C 1.136 177.251 176.117 -0.004 0.000 1.089 87 I CA -0.105 61.147 61.300 -0.080 0.000 1.354 87 I CB 0.935 38.828 38.000 -0.179 0.000 1.413 87 I HN 0.473 nan 8.210 nan 0.000 0.513 88 V N 7.087 127.040 119.914 0.064 0.000 3.471 88 V HA 0.052 4.172 4.120 -0.000 0.000 0.258 88 V C -0.247 175.960 176.094 0.190 0.000 1.192 88 V CA 0.363 62.739 62.300 0.127 0.000 1.116 88 V CB -0.319 31.628 31.823 0.207 0.000 0.792 88 V HN 0.698 nan 8.190 nan 0.000 0.459 89 Y N -0.832 119.472 120.300 0.007 0.000 2.521 89 Y HA 0.502 5.051 4.550 -0.000 0.000 0.326 89 Y C -0.871 175.012 175.900 -0.028 0.000 1.176 89 Y CA -0.664 57.431 58.100 -0.009 0.000 1.079 89 Y CB 1.652 40.115 38.460 0.005 0.000 1.341 89 Y HN -0.114 nan 8.280 nan 0.000 0.456 90 T N 4.283 118.418 114.554 -0.698 0.000 2.824 90 T HA 0.816 5.166 4.350 -0.000 0.000 0.282 90 T C -0.359 173.680 174.700 -1.101 0.000 0.993 90 T CA -0.219 61.523 62.100 -0.596 0.000 0.967 90 T CB 1.493 70.228 68.868 -0.222 0.000 0.960 90 T HN 0.976 nan 8.240 nan 0.000 0.441 91 G N 1.121 109.190 108.800 -1.218 0.000 2.727 91 G HA2 0.733 4.693 3.960 -0.000 0.000 0.289 91 G HA3 0.733 4.693 3.960 -0.000 0.000 0.289 91 G C -1.082 173.332 174.900 -0.810 0.000 1.418 91 G CA -0.829 43.648 45.100 -1.039 0.000 0.818 91 G HN 0.771 nan 8.290 nan 0.000 0.486 92 T N -1.839 112.593 114.554 -0.204 0.000 2.841 92 T HA 0.727 5.076 4.350 -0.000 0.000 0.285 92 T C 0.164 175.073 174.700 0.347 0.000 0.991 92 T CA -0.094 62.043 62.100 0.062 0.000 0.966 92 T CB 1.606 70.480 68.868 0.010 0.000 0.962 92 T HN 1.367 nan 8.240 nan 0.000 0.438 93 A N 3.153 126.214 122.820 0.401 0.000 2.425 93 A HA 0.613 4.933 4.320 -0.000 0.000 0.249 93 A C 0.881 178.626 177.584 0.268 0.000 1.084 93 A CA -0.515 51.712 52.037 0.317 0.000 0.781 93 A CB -0.207 18.943 19.000 0.250 0.000 1.019 93 A HN 1.173 nan 8.150 nan 0.000 0.490 94 T N 0.014 114.688 114.554 0.201 0.000 2.823 94 T HA 0.598 4.948 4.350 -0.000 0.000 0.279 94 T C 0.213 174.936 174.700 0.040 0.000 0.998 94 T CA -0.016 62.166 62.100 0.136 0.000 0.994 94 T CB 1.119 70.034 68.868 0.079 0.000 0.960 94 T HN 1.235 nan 8.240 nan 0.000 0.448 95 S N 3.732 119.397 115.700 -0.057 0.000 2.603 95 S HA 0.636 5.106 4.470 -0.000 0.000 0.268 95 S C -0.135 174.327 174.600 -0.230 0.000 1.317 95 S CA -0.908 57.042 58.200 -0.417 0.000 1.012 95 S CB 0.387 63.323 63.200 -0.439 0.000 0.926 95 S HN 1.251 nan 8.310 nan 0.000 0.539 96 M N 1.989 121.430 119.600 -0.265 0.000 2.426 96 M HA 0.543 5.023 4.480 -0.000 0.000 0.289 96 M C -2.249 174.003 176.300 -0.080 0.000 1.168 96 M CA -0.776 54.451 55.300 -0.121 0.000 0.933 96 M CB 1.495 34.024 32.600 -0.118 0.000 1.750 96 M HN 0.664 nan 8.290 nan 0.000 0.494 97 F N 3.369 123.241 119.950 -0.130 0.000 2.421 97 F HA 0.406 4.933 4.527 -0.000 0.000 0.358 97 F C -0.261 175.481 175.800 -0.097 0.000 1.115 97 F CA 0.053 57.992 58.000 -0.103 0.000 1.160 97 F CB 0.561 39.521 39.000 -0.067 0.000 1.123 97 F HN 0.723 nan 8.300 nan 0.000 0.508 98 D N 5.392 125.342 120.400 -0.750 0.000 2.374 98 D HA 0.068 4.708 4.640 -0.000 0.000 0.240 98 D C 0.949 176.708 176.300 -0.902 0.000 1.229 98 D CA 0.224 53.843 54.000 -0.635 0.000 0.895 98 D CB 0.236 40.807 40.800 -0.382 0.000 1.046 98 D HN 0.492 nan 8.370 nan 0.000 0.498 99 N N 3.027 121.408 118.700 -0.533 0.000 2.289 99 N HA -0.174 4.566 4.740 -0.000 0.000 0.184 99 N C 0.985 176.404 175.510 -0.152 0.000 1.016 99 N CA 0.590 53.501 53.050 -0.232 0.000 0.872 99 N CB 0.147 38.656 38.487 0.037 0.000 0.973 99 N HN 0.559 nan 8.380 nan 0.000 0.433 100 D N 0.447 120.749 120.400 -0.163 0.000 2.077 100 D HA -0.088 4.551 4.640 -0.000 0.000 0.193 100 D C 1.628 177.873 176.300 -0.093 0.000 0.989 100 D CA 1.817 55.801 54.000 -0.027 0.000 0.831 100 D CB -0.342 40.515 40.800 0.095 0.000 0.979 100 D HN 0.319 nan 8.370 nan 0.000 0.449 101 T N -2.688 111.777 114.554 -0.148 0.000 3.129 101 T HA 0.151 4.500 4.350 -0.000 0.000 0.251 101 T C 0.752 175.351 174.700 -0.169 0.000 1.117 101 T CA 0.141 62.137 62.100 -0.174 0.000 1.034 101 T CB -0.029 68.773 68.868 -0.110 0.000 0.968 101 T HN 0.067 nan 8.240 nan 0.000 0.526 102 K N 1.009 121.242 120.400 -0.278 0.000 3.096 102 K HA -0.146 4.174 4.320 -0.000 0.000 0.266 102 K C -0.452 176.062 176.600 -0.142 0.000 1.043 102 K CA 0.684 56.839 56.287 -0.221 0.000 0.758 102 K CB -1.609 30.951 32.500 0.099 0.000 1.260 102 K HN 0.741 nan 8.250 nan 0.000 0.481 103 E N -1.057 118.897 120.200 -0.410 0.000 2.369 103 E HA 0.349 4.699 4.350 -0.000 0.000 0.270 103 E C -0.719 175.796 176.600 -0.142 0.000 0.909 103 E CA -1.054 55.298 56.400 -0.080 0.000 0.775 103 E CB 1.862 31.570 29.700 0.014 0.000 1.270 103 E HN 0.003 nan 8.360 nan 0.000 0.445 104 T N 1.471 116.077 114.554 0.087 0.000 2.743 104 T HA 0.387 4.737 4.350 -0.000 0.000 0.293 104 T C -0.300 174.336 174.700 -0.106 0.000 0.945 104 T CA -0.534 61.581 62.100 0.025 0.000 1.030 104 T CB 0.451 69.361 68.868 0.070 0.000 0.912 104 T HN 0.307 nan 8.240 nan 0.000 0.483 105 V N 1.869 121.633 119.914 -0.249 0.000 3.046 105 V HA 0.748 4.868 4.120 -0.000 0.000 0.316 105 V C -1.683 174.136 176.094 -0.459 0.000 1.104 105 V CA -1.244 60.916 62.300 -0.233 0.000 1.006 105 V CB 1.526 33.193 31.823 -0.261 0.000 1.058 105 V HN 0.702 nan 8.190 nan 0.000 0.440 106 Y N 2.042 122.294 120.300 -0.079 0.000 2.335 106 Y HA 0.702 5.252 4.550 -0.000 0.000 0.338 106 Y C 0.023 175.865 175.900 -0.096 0.000 0.977 106 Y CA -1.158 56.907 58.100 -0.058 0.000 1.114 106 Y CB 1.764 40.209 38.460 -0.026 0.000 1.182 106 Y HN 0.441 nan 8.280 nan 0.000 0.463 107 I N 3.380 123.950 120.570 0.000 0.000 2.315 107 I HA 0.405 4.575 4.170 -0.000 0.000 0.291 107 I C 0.189 176.280 176.117 -0.044 0.000 1.006 107 I CA -1.004 60.267 61.300 -0.048 0.000 1.265 107 I CB 0.723 38.687 38.000 -0.060 0.000 1.387 107 I HN 0.682 nan 8.210 nan 0.000 0.475 108 A N 5.680 128.394 122.820 -0.177 0.000 2.260 108 A HA 0.361 4.681 4.320 -0.000 0.000 0.312 108 A C -0.215 177.231 177.584 -0.229 0.000 1.321 108 A CA -0.493 51.255 52.037 -0.482 0.000 0.928 108 A CB 0.171 18.549 19.000 -1.037 0.000 1.158 108 A HN 0.653 nan 8.150 nan 0.000 0.542 109 D N 2.909 123.316 120.400 0.011 0.000 2.280 109 D HA 0.453 5.093 4.640 -0.000 0.000 0.236 109 D C -0.672 175.742 176.300 0.191 0.000 1.082 109 D CA -0.348 53.655 54.000 0.005 0.000 0.834 109 D CB 0.604 41.413 40.800 0.014 0.000 1.100 109 D HN 0.403 nan 8.370 nan 0.000 0.486 110 F N 1.280 121.123 119.950 -0.178 0.000 2.818 110 F HA 0.357 4.884 4.527 -0.000 0.000 0.369 110 F C 1.071 176.617 175.800 -0.423 0.000 1.327 110 F CA -0.806 56.993 58.000 -0.335 0.000 1.211 110 F CB -0.219 38.652 39.000 -0.216 0.000 1.036 110 F HN 0.054 nan 8.300 nan 0.000 0.510 111 S N 0.169 115.614 115.700 -0.424 0.000 2.419 111 S HA -0.207 4.263 4.470 -0.000 0.000 0.233 111 S C 2.164 176.614 174.600 -0.250 0.000 1.016 111 S CA 1.548 59.529 58.200 -0.365 0.000 0.974 111 S CB -0.368 62.685 63.200 -0.244 0.000 0.786 111 S HN 0.704 nan 8.310 nan 0.000 0.492 112 S N 1.029 116.573 115.700 -0.260 0.000 2.447 112 S HA 0.016 4.486 4.470 -0.000 0.000 0.233 112 S C 0.738 175.234 174.600 -0.173 0.000 1.006 112 S CA 0.095 58.182 58.200 -0.188 0.000 0.957 112 S CB -0.607 62.506 63.200 -0.145 0.000 0.773 112 S HN 0.208 nan 8.310 nan 0.000 0.507 113 V N 3.306 123.078 119.914 -0.238 0.000 2.446 113 V HA 0.198 4.318 4.120 -0.000 0.000 0.276 113 V C 0.460 176.490 176.094 -0.107 0.000 1.030 113 V CA 0.165 62.370 62.300 -0.158 0.000 1.033 113 V CB 0.061 31.764 31.823 -0.199 0.000 0.993 113 V HN 0.496 nan 8.190 nan 0.000 0.477 114 N N 2.512 121.185 118.700 -0.044 0.000 2.143 114 N HA 0.102 4.842 4.740 -0.000 0.000 0.222 114 N C 0.381 175.923 175.510 0.053 0.000 1.264 114 N CA -0.224 52.824 53.050 -0.003 0.000 0.897 114 N CB 0.825 39.304 38.487 -0.013 0.000 1.092 114 N HN 0.731 nan 8.380 nan 0.000 0.516 115 E N 2.159 122.413 120.200 0.089 0.000 2.259 115 E HA 0.036 4.386 4.350 -0.000 0.000 0.281 115 E C -0.531 176.214 176.600 0.242 0.000 1.037 115 E CA -0.154 56.335 56.400 0.148 0.000 0.854 115 E CB 0.640 30.442 29.700 0.169 0.000 1.051 115 E HN 0.176 nan 8.360 nan 0.000 0.409 116 E N 2.008 122.312 120.200 0.173 0.000 2.413 116 E HA 0.287 4.637 4.350 -0.000 0.000 0.263 116 E C 0.163 176.862 176.600 0.165 0.000 1.015 116 E CA 0.298 56.807 56.400 0.181 0.000 0.916 116 E CB 1.001 30.761 29.700 0.100 0.000 0.947 116 E HN 0.720 nan 8.360 nan 0.000 0.440 117 G N 1.437 110.339 108.800 0.170 0.000 2.324 117 G HA2 0.084 4.044 3.960 -0.000 0.000 0.293 117 G HA3 0.084 4.044 3.960 -0.000 0.000 0.293 117 G C -1.179 173.653 174.900 -0.113 0.000 1.297 117 G CA -0.875 44.170 45.100 -0.092 0.000 0.853 117 G HN 0.346 nan 8.290 nan 0.000 0.535 118 T N 0.931 115.275 114.554 -0.350 0.000 2.771 118 T HA 0.716 5.066 4.350 -0.000 0.000 0.281 118 T C -1.146 173.250 174.700 -0.507 0.000 0.982 118 T CA 0.118 62.067 62.100 -0.251 0.000 0.978 118 T CB 0.711 69.489 68.868 -0.151 0.000 0.930 118 T HN 0.399 nan 8.240 nan 0.000 0.447 119 Y N 1.315 121.337 120.300 -0.463 0.000 2.698 119 Y HA 0.704 5.254 4.550 -0.000 0.000 0.332 119 Y C -0.512 174.969 175.900 -0.698 0.000 1.119 119 Y CA -1.421 56.331 58.100 -0.580 0.000 1.109 119 Y CB 1.462 39.534 38.460 -0.646 0.000 1.308 119 Y HN 0.740 nan 8.280 nan 0.000 0.499 120 Y N -1.133 119.010 120.300 -0.261 0.000 2.597 120 Y HA 0.758 5.308 4.550 -0.000 0.000 0.340 120 Y C -2.217 173.730 175.900 0.079 0.000 1.097 120 Y CA -1.610 56.461 58.100 -0.049 0.000 1.037 120 Y CB 0.986 39.464 38.460 0.030 0.000 1.305 120 Y HN 0.492 nan 8.280 nan 0.000 0.463 121 L N 2.852 124.288 121.223 0.355 0.000 2.282 121 L HA 0.871 5.211 4.340 -0.000 0.000 0.288 121 L C -0.482 176.475 176.870 0.144 0.000 1.033 121 L CA -0.558 54.362 54.840 0.133 0.000 0.807 121 L CB 1.268 43.369 42.059 0.069 0.000 1.209 121 L HN 0.917 nan 8.230 nan 0.000 0.423 122 A N 4.899 127.717 122.820 -0.004 0.000 2.287 122 A HA 0.736 5.056 4.320 -0.000 0.000 0.317 122 A C -1.206 176.254 177.584 -0.207 0.000 1.220 122 A CA -0.498 51.371 52.037 -0.279 0.000 0.835 122 A CB 1.119 19.769 19.000 -0.583 0.000 1.180 122 A HN 0.424 nan 8.150 nan 0.000 0.500 123 V N 4.955 124.772 119.914 -0.161 0.000 2.325 123 V HA 0.268 4.388 4.120 -0.000 0.000 0.280 123 V C -2.519 173.626 176.094 0.085 0.000 1.016 123 V CA -1.723 60.556 62.300 -0.034 0.000 0.818 123 V CB 1.289 33.108 31.823 -0.006 0.000 1.019 123 V HN 0.759 nan 8.190 nan 0.000 0.434 124 P HA 0.135 nan 4.420 nan 0.000 0.258 124 P C 1.137 178.511 177.300 0.123 0.000 1.172 124 P CA 1.789 65.037 63.100 0.247 0.000 0.762 124 P CB 0.457 32.249 31.700 0.154 0.000 0.764 125 G N 1.449 110.328 108.800 0.131 0.000 2.241 125 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.244 125 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.244 125 G C 0.716 175.641 174.900 0.042 0.000 0.998 125 G CA 0.303 45.437 45.100 0.057 0.000 0.621 125 G HN 0.414 nan 8.290 nan 0.000 0.519 126 V N -0.475 119.475 119.914 0.061 0.000 2.840 126 V HA 0.723 4.843 4.120 -0.000 0.000 0.234 126 V C 1.703 177.826 176.094 0.049 0.000 1.159 126 V CA 1.895 64.210 62.300 0.024 0.000 1.194 126 V CB 0.156 31.974 31.823 -0.009 0.000 0.971 126 V HN 1.993 nan 8.190 nan 0.000 0.494 127 G N 0.940 109.811 108.800 0.119 0.000 2.347 127 G HA2 0.172 4.132 3.960 -0.000 0.000 0.224 127 G HA3 0.172 4.132 3.960 -0.000 0.000 0.224 127 G C -1.277 173.698 174.900 0.126 0.000 1.318 127 G CA -0.179 45.026 45.100 0.174 0.000 1.016 127 G HN 0.583 nan 8.290 nan 0.000 0.469 128 K N -0.917 119.542 120.400 0.099 0.000 2.400 128 K HA 0.824 5.144 4.320 -0.000 0.000 0.246 128 K C 0.292 176.988 176.600 0.159 0.000 0.995 128 K CA -0.022 56.337 56.287 0.119 0.000 0.840 128 K CB 2.036 34.632 32.500 0.161 0.000 1.293 128 K HN 1.125 nan 8.250 nan 0.000 0.445 129 S N -0.174 115.693 115.700 0.278 0.000 2.713 129 S HA 0.424 4.894 4.470 -0.000 0.000 0.277 129 S C 0.628 175.527 174.600 0.499 0.000 1.168 129 S CA -0.493 57.951 58.200 0.406 0.000 0.994 129 S CB 0.703 64.136 63.200 0.388 0.000 1.054 129 S HN 0.646 nan 8.310 nan 0.000 0.555 130 V N -0.435 119.770 119.914 0.484 0.000 3.319 130 V HA 0.357 4.477 4.120 -0.000 0.000 0.303 130 V C 0.226 176.514 176.094 0.324 0.000 1.094 130 V CA -1.051 61.406 62.300 0.261 0.000 1.106 130 V CB -0.615 31.288 31.823 0.135 0.000 1.099 130 V HN 0.897 nan 8.190 nan 0.000 0.476 131 N N 1.141 119.952 118.700 0.185 0.000 2.525 131 N HA 0.584 5.323 4.740 -0.000 0.000 0.271 131 N C -0.850 174.803 175.510 0.238 0.000 1.194 131 N CA -0.169 52.970 53.050 0.149 0.000 0.964 131 N CB 0.680 39.200 38.487 0.054 0.000 1.126 131 N HN 0.729 nan 8.380 nan 0.000 0.452 132 F N -1.502 118.581 119.950 0.221 0.000 2.643 132 F HA 0.616 5.143 4.527 -0.000 0.000 0.314 132 F C -0.891 175.048 175.800 0.232 0.000 1.096 132 F CA -1.281 56.836 58.000 0.195 0.000 0.953 132 F CB 1.154 40.321 39.000 0.279 0.000 1.345 132 F HN 0.057 nan 8.300 nan 0.000 0.468 133 K N 1.508 122.144 120.400 0.392 0.000 2.221 133 K HA 0.715 5.035 4.320 -0.000 0.000 0.243 133 K C -1.314 175.558 176.600 0.452 0.000 0.968 133 K CA -0.853 55.610 56.287 0.294 0.000 0.846 133 K CB 2.657 35.230 32.500 0.121 0.000 1.141 133 K HN 0.632 nan 8.250 nan 0.000 0.434 134 I N 1.861 122.674 120.570 0.407 0.000 2.411 134 I HA 0.474 4.643 4.170 -0.000 0.000 0.284 134 I C -0.828 175.413 176.117 0.208 0.000 1.012 134 I CA -0.482 61.033 61.300 0.359 0.000 1.119 134 I CB 1.679 39.899 38.000 0.368 0.000 1.261 134 I HN 0.690 nan 8.210 nan 0.000 0.448 135 A N 6.031 128.922 122.820 0.118 0.000 2.605 135 A HA 0.502 4.822 4.320 -0.000 0.000 0.294 135 A C 0.153 177.767 177.584 0.051 0.000 1.062 135 A CA -0.559 51.521 52.037 0.072 0.000 0.682 135 A CB 1.737 20.761 19.000 0.040 0.000 1.278 135 A HN 0.556 nan 8.150 nan 0.000 0.410 136 M N 0.988 120.632 119.600 0.073 0.000 2.296 136 M HA -0.089 4.391 4.480 -0.000 0.000 0.265 136 M C 1.171 177.535 176.300 0.108 0.000 1.064 136 M CA 1.967 57.338 55.300 0.117 0.000 1.109 136 M CB -1.129 31.530 32.600 0.099 0.000 1.396 136 M HN 0.920 nan 8.290 nan 0.000 0.430 137 N N -0.564 118.163 118.700 0.044 0.000 2.328 137 N HA 0.077 4.817 4.740 -0.000 0.000 0.247 137 N C 0.982 176.469 175.510 -0.038 0.000 1.165 137 N CA -0.235 52.833 53.050 0.031 0.000 0.873 137 N CB 0.350 38.858 38.487 0.035 0.000 1.125 137 N HN -0.076 nan 8.380 nan 0.000 0.513 138 V N 0.153 119.976 119.914 -0.152 0.000 2.568 138 V HA -0.232 3.888 4.120 -0.000 0.000 0.253 138 V C 0.640 176.530 176.094 -0.340 0.000 1.072 138 V CA 1.562 63.686 62.300 -0.293 0.000 1.084 138 V CB -0.642 30.910 31.823 -0.451 0.000 0.676 138 V HN 0.460 nan 8.190 nan 0.000 0.469 139 Y N 0.214 120.500 120.300 -0.023 0.000 2.466 139 Y HA 0.243 4.793 4.550 -0.000 0.000 0.272 139 Y C 2.198 178.131 175.900 0.055 0.000 1.169 139 Y CA -0.180 57.908 58.100 -0.020 0.000 1.285 139 Y CB -0.305 38.151 38.460 -0.006 0.000 1.078 139 Y HN 0.407 nan 8.280 nan 0.000 0.523 140 E N 0.180 120.472 120.200 0.153 0.000 2.106 140 E HA -0.177 4.173 4.350 -0.000 0.000 0.192 140 E C 1.162 177.883 176.600 0.202 0.000 0.984 140 E CA 1.299 57.800 56.400 0.167 0.000 0.806 140 E CB 0.041 29.800 29.700 0.099 0.000 0.750 140 E HN 0.446 nan 8.360 nan 0.000 0.458 141 D N 0.474 120.955 120.400 0.135 0.000 2.144 141 D HA -0.088 4.552 4.640 -0.000 0.000 0.200 141 D C 1.910 178.299 176.300 0.148 0.000 0.978 141 D CA 1.018 55.095 54.000 0.129 0.000 0.833 141 D CB -0.072 40.777 40.800 0.081 0.000 0.961 141 D HN 0.122 nan 8.370 nan 0.000 0.470 142 A N 0.637 123.542 122.820 0.141 0.000 1.902 142 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 142 A C 2.072 179.772 177.584 0.192 0.000 1.181 142 A CA 0.937 53.055 52.037 0.136 0.000 0.623 142 A CB -0.952 18.091 19.000 0.072 0.000 0.818 142 A HN 0.257 nan 8.150 nan 0.000 0.443 143 F N 0.782 120.798 119.950 0.110 0.000 2.102 143 F HA -0.128 4.399 4.527 -0.000 0.000 0.298 143 F C 2.124 177.980 175.800 0.094 0.000 1.105 143 F CA 2.109 60.173 58.000 0.106 0.000 1.239 143 F CB -0.122 38.940 39.000 0.102 0.000 0.991 143 F HN 0.101 nan 8.300 nan 0.000 0.474 144 K N -0.581 119.926 120.400 0.179 0.000 2.147 144 K HA -0.113 4.207 4.320 -0.000 0.000 0.205 144 K C 1.926 178.500 176.600 -0.044 0.000 1.049 144 K CA 1.742 58.065 56.287 0.060 0.000 0.936 144 K CB -0.439 32.154 32.500 0.155 0.000 0.722 144 K HN 0.278 nan 8.250 nan 0.000 0.446 145 T N 0.862 115.406 114.554 -0.018 0.000 2.896 145 T HA -0.041 4.309 4.350 -0.000 0.000 0.263 145 T C 1.970 176.539 174.700 -0.218 0.000 1.050 145 T CA 1.112 63.154 62.100 -0.097 0.000 1.140 145 T CB -0.072 68.777 68.868 -0.032 0.000 0.877 145 T HN 0.283 nan 8.240 nan 0.000 0.457 146 A N 1.507 124.215 122.820 -0.187 0.000 1.969 146 A HA -0.002 4.318 4.320 -0.000 0.000 0.218 146 A C 2.228 179.633 177.584 -0.299 0.000 1.169 146 A CA 1.116 53.014 52.037 -0.232 0.000 0.635 146 A CB -0.466 18.452 19.000 -0.137 0.000 0.810 146 A HN 0.277 nan 8.150 nan 0.000 0.445 147 M N -1.116 118.280 119.600 -0.340 0.000 2.254 147 M HA 0.001 4.481 4.480 -0.000 0.000 0.265 147 M C 2.071 178.264 176.300 -0.179 0.000 1.066 147 M CA 0.961 56.082 55.300 -0.297 0.000 1.123 147 M CB -1.191 31.213 32.600 -0.327 0.000 1.388 147 M HN 0.465 nan 8.290 nan 0.000 0.425 148 L N 0.503 121.628 121.223 -0.162 0.000 2.131 148 L HA -0.012 4.328 4.340 -0.000 0.000 0.210 148 L C 2.210 179.001 176.870 -0.131 0.000 1.092 148 L CA 1.905 56.696 54.840 -0.082 0.000 0.759 148 L CB -1.171 40.822 42.059 -0.110 0.000 0.903 148 L HN 0.298 nan 8.230 nan 0.000 0.435 149 G N -0.627 107.972 108.800 -0.335 0.000 2.440 149 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.218 149 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.218 149 G C 1.450 176.257 174.900 -0.154 0.000 1.154 149 G CA 1.119 45.892 45.100 -0.545 0.000 0.767 149 G HN 0.309 nan 8.290 nan 0.000 0.552 150 M N -0.380 119.084 119.600 -0.226 0.000 2.117 150 M HA 0.007 4.487 4.480 -0.000 0.000 0.262 150 M C 2.356 178.551 176.300 -0.175 0.000 1.065 150 M CA 0.718 55.791 55.300 -0.379 0.000 1.114 150 M CB -1.421 30.824 32.600 -0.591 0.000 1.361 150 M HN 0.400 nan 8.290 nan 0.000 0.408 151 Y N 1.486 121.711 120.300 -0.125 0.000 2.165 151 Y HA -0.163 4.387 4.550 -0.000 0.000 0.286 151 Y C 2.020 177.920 175.900 -0.001 0.000 1.155 151 Y CA 1.578 59.647 58.100 -0.052 0.000 1.164 151 Y CB -0.632 37.784 38.460 -0.073 0.000 0.978 151 Y HN 0.136 nan 8.280 nan 0.000 0.513 152 L N -0.123 120.999 121.223 -0.168 0.000 2.465 152 L HA -0.122 4.218 4.340 -0.000 0.000 0.224 152 L C 1.809 178.749 176.870 0.116 0.000 1.145 152 L CA 0.512 55.323 54.840 -0.048 0.000 0.834 152 L CB -0.312 41.916 42.059 0.281 0.000 0.944 152 L HN 0.285 nan 8.230 nan 0.000 0.451 153 L N -0.696 120.576 121.223 0.082 0.000 2.592 153 L HA 0.079 4.419 4.340 -0.000 0.000 0.227 153 L C 1.044 177.951 176.870 0.061 0.000 1.127 153 L CA -0.105 54.813 54.840 0.129 0.000 0.884 153 L CB -0.119 41.970 42.059 0.050 0.000 1.065 153 L HN 0.151 nan 8.230 nan 0.000 0.457 154 R N -0.563 119.923 120.500 -0.022 0.000 2.623 154 R HA 0.078 4.418 4.340 -0.000 0.000 0.271 154 R C -0.397 175.765 176.300 -0.230 0.000 1.043 154 R CA -0.026 56.014 56.100 -0.100 0.000 1.083 154 R CB 0.887 30.918 30.300 -0.447 0.000 0.974 154 R HN 0.141 nan 8.270 nan 0.000 0.436 155 C N 0.930 120.109 119.300 -0.202 0.000 2.529 155 C HA 0.647 5.107 4.460 -0.000 0.000 0.329 155 C C 1.360 176.363 174.990 0.021 0.000 1.194 155 C CA 0.765 59.599 59.018 -0.306 0.000 1.779 155 C CB 0.618 28.023 27.740 -0.559 0.000 2.322 155 C HN 1.042 nan 8.230 nan 0.000 0.500 156 G N 3.024 111.854 108.800 0.050 0.000 2.162 156 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.260 156 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.260 156 G C 0.115 175.087 174.900 0.120 0.000 0.976 156 G CA 0.774 45.919 45.100 0.073 0.000 0.655 156 G HN 1.394 nan 8.290 nan 0.000 0.533 157 T N -0.777 113.859 114.554 0.136 0.000 2.821 157 T HA 0.648 4.998 4.350 -0.000 0.000 0.306 157 T C 0.197 174.944 174.700 0.078 0.000 1.313 157 T CA 0.813 62.978 62.100 0.109 0.000 1.012 157 T CB 1.334 70.272 68.868 0.118 0.000 1.298 157 T HN 1.414 nan 8.240 nan 0.000 0.502 158 S N 1.573 117.301 115.700 0.047 0.000 2.565 158 S HA 0.680 5.150 4.470 -0.000 0.000 0.274 158 S C 0.165 174.683 174.600 -0.136 0.000 1.309 158 S CA -0.361 57.837 58.200 -0.003 0.000 1.043 158 S CB 0.579 63.811 63.200 0.053 0.000 0.939 158 S HN 1.159 nan 8.310 nan 0.000 0.504 159 V N -0.375 119.329 119.914 -0.351 0.000 2.864 159 V HA 0.961 5.081 4.120 -0.000 0.000 0.314 159 V C -0.231 175.782 176.094 -0.135 0.000 1.073 159 V CA -0.607 61.483 62.300 -0.349 0.000 0.956 159 V CB 1.424 32.844 31.823 -0.671 0.000 1.023 159 V HN 1.076 nan 8.190 nan 0.000 0.435 160 S N 1.776 117.500 115.700 0.040 0.000 2.562 160 S HA 0.883 5.353 4.470 -0.000 0.000 0.274 160 S C -0.802 173.835 174.600 0.061 0.000 1.160 160 S CA 0.299 58.503 58.200 0.006 0.000 0.933 160 S CB 1.233 64.503 63.200 0.117 0.000 1.100 160 S HN 2.423 nan 8.310 nan 0.000 0.468 161 A N 2.887 125.614 122.820 -0.154 0.000 2.589 161 A HA 0.776 5.096 4.320 -0.000 0.000 0.296 161 A C -0.805 176.719 177.584 -0.100 0.000 1.062 161 A CA -0.653 51.365 52.037 -0.031 0.000 0.686 161 A CB 1.787 20.830 19.000 0.072 0.000 1.282 161 A HN 0.643 nan 8.150 nan 0.000 0.404 162 T N 1.749 116.332 114.554 0.048 0.000 2.770 162 T HA 0.559 4.909 4.350 -0.000 0.000 0.283 162 T C -1.515 173.288 174.700 0.172 0.000 0.988 162 T CA 0.104 62.263 62.100 0.098 0.000 0.957 162 T CB 0.396 69.336 68.868 0.121 0.000 0.930 162 T HN 0.567 nan 8.240 nan 0.000 0.443 163 Y N 3.699 124.052 120.300 0.089 0.000 2.338 163 Y HA 0.338 4.888 4.550 -0.000 0.000 0.333 163 Y C 0.370 176.330 175.900 0.100 0.000 0.968 163 Y CA -0.976 57.180 58.100 0.094 0.000 1.123 163 Y CB 0.840 39.363 38.460 0.105 0.000 1.165 163 Y HN 0.662 nan 8.280 nan 0.000 0.452 164 N N 4.166 122.550 118.700 -0.527 0.000 2.721 164 N HA -0.213 4.527 4.740 -0.000 0.000 0.249 164 N C 0.976 176.421 175.510 -0.109 0.000 1.072 164 N CA 1.807 54.652 53.050 -0.341 0.000 0.710 164 N CB -1.183 37.098 38.487 -0.344 0.000 0.993 164 N HN 1.398 nan 8.380 nan 0.000 0.547 165 G N -2.510 106.250 108.800 -0.066 0.000 2.234 165 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.260 165 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.260 165 G C 0.270 175.161 174.900 -0.013 0.000 0.987 165 G CA 0.565 45.650 45.100 -0.025 0.000 0.625 165 G HN 0.923 nan 8.290 nan 0.000 0.532 166 I N -1.228 119.333 120.570 -0.015 0.000 2.353 166 I HA 0.706 4.876 4.170 -0.000 0.000 0.293 166 I C 0.383 176.369 176.117 -0.219 0.000 0.992 166 I CA -1.451 59.769 61.300 -0.134 0.000 1.268 166 I CB 0.801 38.674 38.000 -0.212 0.000 1.387 166 I HN 0.378 nan 8.210 nan 0.000 0.478 167 H N 4.171 123.051 119.070 -0.316 0.000 2.652 167 H HA 0.512 5.068 4.556 -0.000 0.000 0.298 167 H C -1.412 173.656 175.328 -0.433 0.000 1.076 167 H CA -0.084 55.814 56.048 -0.251 0.000 1.360 167 H CB 0.337 30.023 29.762 -0.127 0.000 1.421 167 H HN 0.670 nan 8.280 nan 0.000 0.464 168 Y N 3.318 123.238 120.300 -0.633 0.000 2.341 168 Y HA 0.424 4.974 4.550 -0.000 0.000 0.337 168 Y C 0.056 175.529 175.900 -0.711 0.000 1.014 168 Y CA -0.305 57.316 58.100 -0.799 0.000 1.111 168 Y CB 1.704 39.400 38.460 -1.274 0.000 1.194 168 Y HN 0.775 nan 8.280 nan 0.000 0.462 169 S N 1.457 117.067 115.700 -0.150 0.000 2.595 169 S HA 0.750 5.220 4.470 -0.000 0.000 0.270 169 S C -1.751 173.096 174.600 0.412 0.000 1.145 169 S CA -0.929 57.321 58.200 0.082 0.000 0.825 169 S CB 2.263 65.530 63.200 0.112 0.000 1.107 169 S HN 0.926 nan 8.310 nan 0.000 0.461 170 H N -1.139 118.103 119.070 0.286 0.000 3.068 170 H HA 0.759 5.315 4.556 -0.000 0.000 0.342 170 H C -0.084 175.310 175.328 0.110 0.000 1.284 170 H CA -0.318 55.851 56.048 0.202 0.000 1.181 170 H CB 0.604 30.470 29.762 0.174 0.000 1.898 170 H HN 1.032 nan 8.280 nan 0.000 0.540 171 G N 0.434 109.434 108.800 0.333 0.000 2.621 171 G HA2 0.445 4.405 3.960 -0.000 0.000 0.271 171 G HA3 0.445 4.405 3.960 -0.000 0.000 0.271 171 G C -2.520 172.530 174.900 0.250 0.000 1.236 171 G CA -1.990 43.239 45.100 0.215 0.000 0.958 171 G HN 0.607 nan 8.290 nan 0.000 0.512 172 P HA 0.165 nan 4.420 nan 0.000 0.262 172 P C 0.144 177.463 177.300 0.031 0.000 1.182 172 P CA -0.038 63.120 63.100 0.097 0.000 0.761 172 P CB 0.191 31.929 31.700 0.062 0.000 0.795 173 C N 1.582 120.892 119.300 0.016 0.000 2.779 173 C HA 0.576 5.036 4.460 -0.000 0.000 0.314 173 C C -0.067 174.888 174.990 -0.058 0.000 1.231 173 C CA -0.856 58.075 59.018 -0.145 0.000 1.652 173 C CB 0.167 27.781 27.740 -0.211 0.000 2.198 173 C HN 0.756 nan 8.230 nan 0.000 0.483 174 H N 0.498 119.504 119.070 -0.107 0.000 2.527 174 H HA -0.152 4.404 4.556 -0.000 0.000 0.321 174 H C 1.299 176.573 175.328 -0.090 0.000 1.092 174 H CA 1.059 57.046 56.048 -0.102 0.000 1.118 174 H CB -1.775 27.911 29.762 -0.128 0.000 1.536 174 H HN 1.037 nan 8.280 nan 0.000 0.407 175 T N -4.437 110.109 114.554 -0.014 0.000 3.148 175 T HA 0.002 4.352 4.350 -0.000 0.000 0.253 175 T C 1.106 175.780 174.700 -0.043 0.000 1.134 175 T CA 0.781 62.872 62.100 -0.016 0.000 1.051 175 T CB 0.145 69.010 68.868 -0.005 0.000 0.959 175 T HN 0.477 nan 8.240 nan 0.000 0.525 176 N N 1.356 120.020 118.700 -0.060 0.000 2.273 176 N HA 0.194 4.934 4.740 -0.000 0.000 0.231 176 N C -1.147 174.217 175.510 -0.244 0.000 1.134 176 N CA -0.369 52.606 53.050 -0.126 0.000 0.856 176 N CB 0.383 38.825 38.487 -0.075 0.000 1.068 176 N HN 0.300 nan 8.380 nan 0.000 0.510 177 D N 1.377 121.661 120.400 -0.194 0.000 2.390 177 D HA 0.431 5.070 4.640 -0.000 0.000 0.249 177 D C -0.022 176.106 176.300 -0.286 0.000 1.144 177 D CA 0.340 54.177 54.000 -0.272 0.000 0.880 177 D CB 1.135 41.799 40.800 -0.227 0.000 1.182 177 D HN 0.244 nan 8.370 nan 0.000 0.451 178 A N 1.985 124.596 122.820 -0.347 0.000 2.610 178 A HA 0.556 4.876 4.320 -0.000 0.000 0.291 178 A C -1.615 175.808 177.584 -0.268 0.000 1.086 178 A CA -0.808 50.950 52.037 -0.465 0.000 0.677 178 A CB 0.775 19.315 19.000 -0.768 0.000 1.278 178 A HN 0.378 nan 8.150 nan 0.000 0.414 179 Y N 0.463 120.790 120.300 0.045 0.000 2.320 179 Y HA 0.392 4.942 4.550 -0.000 0.000 0.324 179 Y C 1.140 177.314 175.900 0.457 0.000 1.190 179 Y CA -0.550 57.657 58.100 0.180 0.000 1.215 179 Y CB 0.900 39.391 38.460 0.051 0.000 1.221 179 Y HN 0.397 nan 8.280 nan 0.000 0.486 180 L N 1.836 123.314 121.223 0.425 0.000 2.591 180 L HA 0.012 4.352 4.340 -0.000 0.000 0.228 180 L C 0.870 177.891 176.870 0.252 0.000 1.133 180 L CA 0.668 55.658 54.840 0.250 0.000 0.880 180 L CB -1.375 40.698 42.059 0.024 0.000 1.033 180 L HN 0.752 nan 8.230 nan 0.000 0.450 181 D N 0.251 120.869 120.400 0.364 0.000 2.192 181 D HA -0.291 4.349 4.640 -0.000 0.000 0.189 181 D C 1.658 177.930 176.300 -0.048 0.000 1.007 181 D CA 2.058 56.138 54.000 0.134 0.000 0.859 181 D CB -0.326 40.519 40.800 0.075 0.000 0.936 181 D HN 0.338 nan 8.370 nan 0.000 0.447 182 Y N -0.399 120.005 120.300 0.173 0.000 2.546 182 Y HA 0.065 4.615 4.550 -0.000 0.000 0.287 182 Y C 1.867 177.822 175.900 0.092 0.000 1.158 182 Y CA -0.058 58.123 58.100 0.134 0.000 1.307 182 Y CB 0.119 38.710 38.460 0.218 0.000 1.036 182 Y HN 0.032 nan 8.280 nan 0.000 0.532 183 I N 0.308 120.963 120.570 0.142 0.000 2.364 183 I HA -0.142 4.028 4.170 -0.000 0.000 0.241 183 I C 1.653 177.700 176.117 -0.116 0.000 1.082 183 I CA 1.329 62.574 61.300 -0.092 0.000 1.401 183 I CB -0.937 36.849 38.000 -0.356 0.000 1.126 183 I HN 0.343 nan 8.210 nan 0.000 0.429 184 N N -0.336 118.307 118.700 -0.094 0.000 2.382 184 N HA 0.170 4.909 4.740 -0.000 0.000 0.200 184 N C 1.358 176.847 175.510 -0.035 0.000 1.122 184 N CA 1.198 54.204 53.050 -0.074 0.000 0.870 184 N CB 0.771 39.196 38.487 -0.103 0.000 1.176 184 N HN 0.308 nan 8.380 nan 0.000 0.474 185 G N -1.406 107.379 108.800 -0.024 0.000 2.617 185 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.197 185 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.197 185 G C 0.188 175.091 174.900 0.005 0.000 1.017 185 G CA 0.204 45.286 45.100 -0.030 0.000 0.713 185 G HN 0.733 nan 8.290 nan 0.000 0.481 186 Q N 0.254 120.068 119.800 0.023 0.000 2.311 186 Q HA 0.507 4.847 4.340 -0.000 0.000 0.272 186 Q C 0.244 176.323 176.000 0.131 0.000 1.012 186 Q CA 0.621 56.460 55.803 0.060 0.000 0.891 186 Q CB -0.047 28.712 28.738 0.035 0.000 1.201 186 Q HN 1.061 nan 8.270 nan 0.000 0.391 187 H N 1.728 120.834 119.070 0.060 0.000 2.970 187 H HA 0.407 4.963 4.556 -0.000 0.000 0.226 187 H C -0.129 175.318 175.328 0.199 0.000 1.909 187 H CA 0.949 57.057 56.048 0.100 0.000 1.388 187 H CB -0.051 29.702 29.762 -0.016 0.000 1.773 187 H HN 0.702 nan 8.280 nan 0.000 0.559 188 T N 1.505 116.133 114.554 0.123 0.000 2.924 188 T HA 0.301 4.650 4.350 -0.000 0.000 0.291 188 T C -0.828 173.964 174.700 0.153 0.000 1.045 188 T CA -1.051 61.127 62.100 0.130 0.000 1.015 188 T CB 1.021 69.930 68.868 0.070 0.000 1.103 188 T HN 0.439 nan 8.240 nan 0.000 0.496 189 K N 2.894 123.310 120.400 0.026 0.000 2.211 189 K HA 0.356 4.676 4.320 -0.000 0.000 0.275 189 K C -0.732 175.841 176.600 -0.046 0.000 1.024 189 K CA -0.530 55.658 56.287 -0.166 0.000 0.887 189 K CB 0.874 33.203 32.500 -0.286 0.000 1.084 189 K HN 0.523 nan 8.250 nan 0.000 0.463 190 K N 3.806 124.235 120.400 0.049 0.000 2.413 190 K HA 0.072 4.392 4.320 -0.000 0.000 0.257 190 K C -1.026 175.668 176.600 0.157 0.000 0.946 190 K CA -0.673 55.667 56.287 0.088 0.000 0.823 190 K CB 1.108 33.626 32.500 0.029 0.000 1.109 190 K HN 0.537 nan 8.250 nan 0.000 0.427 191 D N 2.042 122.480 120.400 0.065 0.000 2.581 191 D HA -0.082 4.558 4.640 -0.000 0.000 0.238 191 D C -0.507 175.859 176.300 0.110 0.000 1.145 191 D CA 1.099 55.125 54.000 0.043 0.000 0.866 191 D CB 0.644 41.452 40.800 0.014 0.000 1.151 191 D HN 0.419 nan 8.370 nan 0.000 0.500 192 S N 1.990 117.721 115.700 0.052 0.000 2.949 192 S HA 0.145 4.614 4.470 -0.000 0.000 0.246 192 S C -0.066 174.601 174.600 0.111 0.000 0.899 192 S CA -0.114 58.152 58.200 0.110 0.000 1.091 192 S CB -0.453 62.693 63.200 -0.090 0.000 1.199 192 S HN 0.631 nan 8.310 nan 0.000 0.507 193 T N -0.043 114.530 114.554 0.032 0.000 2.770 193 T HA 0.618 4.968 4.350 -0.000 0.000 0.281 193 T C 0.097 174.760 174.700 -0.061 0.000 0.981 193 T CA -0.278 61.797 62.100 -0.041 0.000 0.955 193 T CB 0.434 69.276 68.868 -0.044 0.000 1.060 193 T HN 0.517 nan 8.240 nan 0.000 0.531 194 K N -1.232 119.071 120.400 -0.162 0.000 1.410 194 K HA 0.126 4.446 4.320 -0.000 0.000 0.826 194 K C 0.423 176.826 176.600 -0.328 0.000 2.096 194 K CA 0.304 56.377 56.287 -0.357 0.000 1.397 194 K CB -1.728 30.372 32.500 -0.667 0.000 2.634 194 K HN 2.021 nan 8.250 nan 0.000 0.232 195 G N -0.896 107.675 108.800 -0.381 0.000 2.698 195 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.225 195 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.225 195 G C -1.485 173.277 174.900 -0.231 0.000 1.345 195 G CA -0.093 44.808 45.100 -0.332 0.000 0.871 195 G HN 0.488 nan 8.290 nan 0.000 0.540 196 W N 0.177 121.380 121.300 -0.161 0.000 2.606 196 W HA 0.571 5.231 4.660 -0.000 0.000 0.332 196 W C 0.631 176.970 176.519 -0.299 0.000 1.052 196 W CA -1.068 56.155 57.345 -0.203 0.000 1.223 196 W CB 0.625 30.038 29.460 -0.079 0.000 1.383 196 W HN 0.708 nan 8.180 nan 0.000 0.524 197 H N 0.862 119.970 119.070 0.064 0.000 2.897 197 H HA -0.083 4.473 4.556 -0.000 0.000 0.347 197 H C 0.948 176.272 175.328 -0.007 0.000 1.068 197 H CA 0.598 56.624 56.048 -0.036 0.000 1.426 197 H CB 1.351 31.134 29.762 0.035 0.000 1.410 197 H HN 0.378 nan 8.280 nan 0.000 0.597 198 D N 1.771 122.244 120.400 0.122 0.000 2.117 198 D HA -0.027 4.613 4.640 -0.000 0.000 0.198 198 D C 0.768 177.042 176.300 -0.043 0.000 0.982 198 D CA 1.543 55.594 54.000 0.085 0.000 0.828 198 D CB 0.391 41.357 40.800 0.276 0.000 0.967 198 D HN 0.613 nan 8.370 nan 0.000 0.464 199 A N -1.637 121.144 122.820 -0.065 0.000 3.865 199 A HA 0.547 4.867 4.320 -0.000 0.000 0.150 199 A C 1.496 178.954 177.584 -0.211 0.000 0.996 199 A CA 0.122 52.060 52.037 -0.165 0.000 1.746 199 A CB -0.412 18.487 19.000 -0.168 0.000 2.443 199 A HN 0.075 nan 8.150 nan 0.000 1.021 200 G N 0.645 109.340 108.800 -0.174 0.000 2.484 200 G HA2 0.160 4.120 3.960 -0.000 0.000 0.218 200 G HA3 0.160 4.120 3.960 -0.000 0.000 0.218 200 G C 0.392 174.971 174.900 -0.535 0.000 1.130 200 G CA 1.382 46.314 45.100 -0.280 0.000 0.784 200 G HN 0.860 nan 8.290 nan 0.000 0.543 201 D N -1.144 119.018 120.400 -0.397 0.000 2.387 201 D HA 0.185 4.825 4.640 -0.000 0.000 0.255 201 D C -0.033 176.001 176.300 -0.443 0.000 1.081 201 D CA -0.826 52.888 54.000 -0.476 0.000 0.994 201 D CB 0.855 41.629 40.800 -0.044 0.000 1.127 201 D HN 0.109 nan 8.370 nan 0.000 0.513 202 Y N -0.782 119.378 120.300 -0.234 0.000 2.457 202 Y HA 0.168 4.717 4.550 -0.000 0.000 0.263 202 Y C 0.558 176.300 175.900 -0.264 0.000 1.164 202 Y CA -0.744 57.132 58.100 -0.374 0.000 1.274 202 Y CB -0.407 37.707 38.460 -0.576 0.000 1.097 202 Y HN 0.167 nan 8.280 nan 0.000 0.523 203 N N 1.799 120.450 118.700 -0.083 0.000 2.444 203 N HA 0.107 4.847 4.740 -0.000 0.000 0.255 203 N C -0.371 174.850 175.510 -0.481 0.000 1.255 203 N CA -0.011 52.836 53.050 -0.339 0.000 0.933 203 N CB 0.795 39.033 38.487 -0.415 0.000 1.143 203 N HN 0.171 nan 8.380 nan 0.000 0.453 204 K N 1.889 121.854 120.400 -0.725 0.000 2.307 204 K HA 0.341 4.661 4.320 -0.000 0.000 0.263 204 K C -1.159 175.111 176.600 -0.550 0.000 0.973 204 K CA -0.472 55.360 56.287 -0.758 0.000 0.846 204 K CB 0.952 32.586 32.500 -1.444 0.000 1.100 204 K HN 0.434 nan 8.250 nan 0.000 0.438 205 Y N 0.659 120.906 120.300 -0.089 0.000 2.364 205 Y HA 0.132 4.682 4.550 -0.000 0.000 0.340 205 Y C 1.272 177.184 175.900 0.018 0.000 0.975 205 Y CA -1.052 57.012 58.100 -0.059 0.000 1.089 205 Y CB 1.356 39.648 38.460 -0.279 0.000 1.192 205 Y HN 0.245 nan 8.280 nan 0.000 0.454 206 V N 1.751 121.753 119.914 0.147 0.000 2.379 206 V HA -0.208 3.912 4.120 -0.000 0.000 0.245 206 V C 1.809 177.903 176.094 0.000 0.000 1.044 206 V CA 1.613 63.961 62.300 0.080 0.000 1.036 206 V CB -0.434 31.400 31.823 0.019 0.000 0.664 206 V HN 0.817 nan 8.190 nan 0.000 0.453 207 V N 0.748 120.582 119.914 -0.134 0.000 2.332 207 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 207 V C 2.332 178.357 176.094 -0.116 0.000 1.055 207 V CA 2.457 64.727 62.300 -0.052 0.000 1.038 207 V CB -0.921 30.895 31.823 -0.011 0.000 0.651 207 V HN 0.604 nan 8.190 nan 0.000 0.450 208 N N 0.241 118.641 118.700 -0.501 0.000 2.270 208 N HA -0.055 4.684 4.740 -0.000 0.000 0.181 208 N C 1.681 177.110 175.510 -0.135 0.000 1.016 208 N CA 1.269 53.988 53.050 -0.553 0.000 0.870 208 N CB -0.238 37.496 38.487 -1.256 0.000 0.979 208 N HN 0.422 nan 8.380 nan 0.000 0.431 209 A N -0.286 122.533 122.820 -0.002 0.000 2.015 209 A HA 0.078 4.398 4.320 -0.000 0.000 0.219 209 A C 2.215 179.917 177.584 0.197 0.000 1.163 209 A CA 1.525 53.659 52.037 0.162 0.000 0.646 209 A CB -1.200 17.951 19.000 0.253 0.000 0.806 209 A HN 0.392 nan 8.150 nan 0.000 0.448 210 G N 0.392 109.319 108.800 0.211 0.000 2.545 210 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.217 210 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.217 210 G C 1.520 176.621 174.900 0.335 0.000 1.218 210 G CA 1.251 46.583 45.100 0.386 0.000 0.787 210 G HN 0.544 nan 8.290 nan 0.000 0.571 211 I N 0.738 121.413 120.570 0.175 0.000 2.454 211 I HA -0.093 4.077 4.170 -0.000 0.000 0.254 211 I C 2.793 178.974 176.117 0.107 0.000 1.156 211 I CA 1.841 63.179 61.300 0.064 0.000 1.433 211 I CB -0.102 37.948 38.000 0.082 0.000 1.082 211 I HN 0.159 nan 8.210 nan 0.000 0.432 212 T N -0.271 114.365 114.554 0.138 0.000 2.668 212 T HA -0.135 4.215 4.350 -0.000 0.000 0.262 212 T C 1.920 176.729 174.700 0.183 0.000 1.045 212 T CA 1.843 64.029 62.100 0.144 0.000 1.152 212 T CB -0.410 68.554 68.868 0.160 0.000 0.864 212 T HN 0.171 nan 8.240 nan 0.000 0.419 213 V N 1.383 121.425 119.914 0.213 0.000 2.427 213 V HA -0.073 4.047 4.120 -0.000 0.000 0.248 213 V C 2.851 179.052 176.094 0.177 0.000 1.051 213 V CA 1.925 64.283 62.300 0.096 0.000 1.048 213 V CB -1.324 30.534 31.823 0.060 0.000 0.666 213 V HN 0.624 nan 8.190 nan 0.000 0.456 214 G N -0.686 108.340 108.800 0.377 0.000 2.418 214 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.217 214 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.217 214 G C 1.859 176.953 174.900 0.323 0.000 1.158 214 G CA 1.203 46.588 45.100 0.474 0.000 0.771 214 G HN 0.509 nan 8.290 nan 0.000 0.545 215 S N 0.377 116.213 115.700 0.226 0.000 2.356 215 S HA -0.068 4.402 4.470 -0.000 0.000 0.223 215 S C 2.420 177.265 174.600 0.407 0.000 1.032 215 S CA 1.470 59.822 58.200 0.253 0.000 1.005 215 S CB -0.260 63.059 63.200 0.198 0.000 0.867 215 S HN 0.353 nan 8.310 nan 0.000 0.449 216 M N -0.168 119.642 119.600 0.350 0.000 2.175 216 M HA -0.018 4.461 4.480 -0.000 0.000 0.264 216 M C 1.561 178.219 176.300 0.597 0.000 1.063 216 M CA 1.247 56.818 55.300 0.452 0.000 1.119 216 M CB -0.345 32.373 32.600 0.195 0.000 1.377 216 M HN 0.210 nan 8.290 nan 0.000 0.415 217 F N 0.484 120.682 119.950 0.413 0.000 2.259 217 F HA -0.056 4.471 4.527 -0.000 0.000 0.298 217 F C 2.038 178.029 175.800 0.320 0.000 1.088 217 F CA 0.986 59.211 58.000 0.375 0.000 1.358 217 F CB -0.770 38.404 39.000 0.291 0.000 1.040 217 F HN 0.048 nan 8.300 nan 0.000 0.505 218 L N -0.948 120.531 121.223 0.428 0.000 2.141 218 L HA -0.145 4.194 4.340 -0.000 0.000 0.209 218 L C 2.591 179.414 176.870 -0.077 0.000 1.094 218 L CA 0.974 55.848 54.840 0.057 0.000 0.763 218 L CB -0.848 41.220 42.059 0.014 0.000 0.908 218 L HN 0.092 nan 8.230 nan 0.000 0.437 219 A N -0.300 122.714 122.820 0.323 0.000 1.930 219 A HA -0.262 4.058 4.320 -0.000 0.000 0.217 219 A C 2.161 179.805 177.584 0.100 0.000 1.175 219 A CA 1.265 53.404 52.037 0.170 0.000 0.627 219 A CB -0.885 18.322 19.000 0.344 0.000 0.815 219 A HN 0.681 nan 8.150 nan 0.000 0.443 220 W N 0.940 122.289 121.300 0.082 0.000 2.381 220 W HA -0.129 4.531 4.660 -0.000 0.000 0.301 220 W C 1.705 178.210 176.519 -0.023 0.000 1.205 220 W CA 1.800 59.162 57.345 0.029 0.000 1.285 220 W CB -0.156 29.473 29.460 0.281 0.000 1.133 220 W HN 0.516 nan 8.180 nan 0.000 0.521 221 E N -0.815 119.417 120.200 0.054 0.000 2.106 221 E HA -0.222 4.128 4.350 -0.000 0.000 0.192 221 E C 1.777 178.284 176.600 -0.155 0.000 0.984 221 E CA 1.400 57.755 56.400 -0.075 0.000 0.806 221 E CB -0.587 29.140 29.700 0.046 0.000 0.750 221 E HN 0.562 nan 8.360 nan 0.000 0.458 222 H N -1.437 117.385 119.070 -0.413 0.000 2.470 222 H HA -0.011 4.545 4.556 -0.000 0.000 0.289 222 H C 0.382 175.111 175.328 -0.999 0.000 1.033 222 H CA 0.367 55.927 56.048 -0.813 0.000 1.331 222 H CB 0.293 29.305 29.762 -1.250 0.000 1.414 222 H HN 0.088 nan 8.280 nan 0.000 0.545 223 F N 0.008 119.864 119.950 -0.157 0.000 2.790 223 F HA 0.256 4.783 4.527 -0.000 0.000 0.371 223 F C 1.320 176.880 175.800 -0.399 0.000 1.293 223 F CA -0.676 57.165 58.000 -0.264 0.000 1.205 223 F CB 0.271 39.082 39.000 -0.314 0.000 1.047 223 F HN -0.139 nan 8.300 nan 0.000 0.510 224 K N 0.913 121.050 120.400 -0.438 0.000 2.044 224 K HA -0.210 4.110 4.320 -0.000 0.000 0.210 224 K C 1.242 177.517 176.600 -0.542 0.000 1.049 224 K CA 2.320 58.119 56.287 -0.813 0.000 0.927 224 K CB 0.029 32.014 32.500 -0.857 0.000 0.713 224 K HN 0.168 nan 8.250 nan 0.000 0.443 225 D N 0.351 120.572 120.400 -0.298 0.000 2.218 225 D HA -0.149 4.491 4.640 -0.000 0.000 0.204 225 D C 1.872 178.086 176.300 -0.143 0.000 0.976 225 D CA 1.168 55.059 54.000 -0.182 0.000 0.853 225 D CB 0.011 40.741 40.800 -0.116 0.000 0.939 225 D HN 0.465 nan 8.370 nan 0.000 0.481 226 Q N -0.579 119.133 119.800 -0.146 0.000 2.269 226 Q HA 0.010 4.350 4.340 -0.000 0.000 0.201 226 Q C 1.585 177.484 176.000 -0.168 0.000 0.946 226 Q CA 0.377 56.100 55.803 -0.134 0.000 0.877 226 Q CB 0.346 28.997 28.738 -0.144 0.000 0.963 226 Q HN 0.129 nan 8.270 nan 0.000 0.472 227 L N 0.103 121.200 121.223 -0.209 0.000 2.408 227 L HA 0.021 4.361 4.340 -0.000 0.000 0.215 227 L C 2.036 178.956 176.870 0.083 0.000 1.081 227 L CA 1.182 55.939 54.840 -0.139 0.000 0.840 227 L CB -0.255 41.670 42.059 -0.224 0.000 1.002 227 L HN 0.150 nan 8.230 nan 0.000 0.468 228 E N 0.617 120.819 120.200 0.003 0.000 2.097 228 E HA -0.184 4.166 4.350 -0.000 0.000 0.196 228 E C -0.809 175.903 176.600 0.186 0.000 1.000 228 E CA 1.460 57.988 56.400 0.213 0.000 0.804 228 E CB -0.384 29.364 29.700 0.080 0.000 0.740 228 E HN 0.322 nan 8.360 nan 0.000 0.454 229 P HA 0.058 nan 4.420 nan 0.000 0.255 229 P C -0.419 176.939 177.300 0.097 0.000 1.248 229 P CA 0.157 63.310 63.100 0.088 0.000 0.807 229 P CB 0.289 32.018 31.700 0.049 0.000 1.150 230 V N 1.432 121.421 119.914 0.124 0.000 2.521 230 V HA 0.328 4.448 4.120 -0.000 0.000 0.286 230 V C 0.859 177.054 176.094 0.168 0.000 1.034 230 V CA -0.388 62.002 62.300 0.148 0.000 1.045 230 V CB 0.474 32.412 31.823 0.193 0.000 0.974 230 V HN 0.159 nan 8.190 nan 0.000 0.480 231 A N 6.756 129.656 122.820 0.133 0.000 2.292 231 A HA 0.848 5.168 4.320 -0.000 0.000 0.319 231 A C -0.624 177.023 177.584 0.105 0.000 1.206 231 A CA -0.526 51.574 52.037 0.105 0.000 0.835 231 A CB 0.570 19.614 19.000 0.072 0.000 1.164 231 A HN 0.782 nan 8.150 nan 0.000 0.505 232 L N 0.733 122.001 121.223 0.076 0.000 2.303 232 L HA 0.496 4.836 4.340 -0.000 0.000 0.266 232 L C 0.176 177.025 176.870 -0.036 0.000 1.011 232 L CA -0.908 53.955 54.840 0.039 0.000 0.818 232 L CB 1.385 43.470 42.059 0.042 0.000 1.326 232 L HN 0.537 nan 8.230 nan 0.000 0.435 233 E N 3.329 123.481 120.200 -0.080 0.000 1.892 233 E HA 0.301 4.651 4.350 -0.000 0.000 0.271 233 E C -0.802 175.573 176.600 -0.374 0.000 1.146 233 E CA -0.018 56.292 56.400 -0.150 0.000 1.096 233 E CB -0.069 29.576 29.700 -0.092 0.000 1.155 233 E HN 0.409 nan 8.360 nan 0.000 0.458 234 I N -2.340 118.021 120.570 -0.350 0.000 3.042 234 I HA 0.511 4.681 4.170 -0.000 0.000 0.310 234 I C -2.115 173.830 176.117 -0.288 0.000 1.117 234 I CA -2.841 58.140 61.300 -0.531 0.000 1.003 234 I CB 2.200 40.003 38.000 -0.329 0.000 1.228 234 I HN -0.221 nan 8.210 nan 0.000 0.443 235 P HA -0.080 nan 4.420 nan 0.000 0.218 235 P C 0.441 177.717 177.300 -0.041 0.000 1.149 235 P CA 1.344 64.398 63.100 -0.076 0.000 0.817 235 P CB 0.110 31.808 31.700 -0.004 0.000 0.785 236 E N -0.292 119.883 120.200 -0.042 0.000 2.403 236 E HA -0.041 4.309 4.350 -0.000 0.000 0.187 236 E C 1.492 178.084 176.600 -0.014 0.000 1.073 236 E CA 0.047 56.438 56.400 -0.014 0.000 0.888 236 E CB -0.545 29.155 29.700 -0.000 0.000 1.035 236 E HN 0.428 nan 8.360 nan 0.000 0.471 237 K N -0.168 120.216 120.400 -0.027 0.000 2.362 237 K HA -0.099 4.221 4.320 -0.000 0.000 0.200 237 K C 0.473 177.077 176.600 0.007 0.000 1.046 237 K CA 1.159 57.439 56.287 -0.011 0.000 0.952 237 K CB -0.072 32.415 32.500 -0.022 0.000 0.753 237 K HN 0.072 nan 8.250 nan 0.000 0.466 238 N N 1.355 120.059 118.700 0.007 0.000 2.238 238 N HA -0.005 4.735 4.740 -0.000 0.000 0.222 238 N C -0.462 175.062 175.510 0.023 0.000 1.133 238 N CA -0.470 52.590 53.050 0.016 0.000 0.854 238 N CB 0.286 38.781 38.487 0.014 0.000 1.041 238 N HN 0.351 nan 8.380 nan 0.000 0.510 239 N N -0.460 118.254 118.700 0.023 0.000 2.593 239 N HA 0.110 4.849 4.740 -0.000 0.000 0.304 239 N C 0.651 176.187 175.510 0.044 0.000 1.296 239 N CA -0.513 52.555 53.050 0.030 0.000 0.950 239 N CB 0.053 38.555 38.487 0.023 0.000 1.127 239 N HN -0.082 nan 8.380 nan 0.000 0.587 240 S N -1.772 113.964 115.700 0.060 0.000 2.597 240 S HA 0.339 4.809 4.470 -0.000 0.000 0.224 240 S C 0.355 175.019 174.600 0.107 0.000 0.955 240 S CA -0.658 57.599 58.200 0.094 0.000 0.933 240 S CB -0.872 62.397 63.200 0.115 0.000 0.788 240 S HN 0.473 nan 8.310 nan 0.000 0.488 241 I N 2.138 122.725 120.570 0.029 0.000 2.412 241 I HA 0.420 4.589 4.170 -0.000 0.000 0.296 241 I C -2.689 173.342 176.117 -0.142 0.000 0.987 241 I CA -2.959 58.276 61.300 -0.109 0.000 1.180 241 I CB 1.676 39.637 38.000 -0.065 0.000 1.340 241 I HN -0.109 nan 8.210 nan 0.000 0.455 242 P HA -0.009 nan 4.420 nan 0.000 0.262 242 P C -0.086 177.192 177.300 -0.036 0.000 1.182 242 P CA 0.126 63.179 63.100 -0.077 0.000 0.761 242 P CB 0.511 32.186 31.700 -0.043 0.000 0.795 243 D N 1.874 122.315 120.400 0.069 0.000 2.172 243 D HA -0.215 4.425 4.640 -0.000 0.000 0.196 243 D C 1.399 177.771 176.300 0.120 0.000 0.999 243 D CA 1.343 55.392 54.000 0.082 0.000 0.856 243 D CB -0.621 40.238 40.800 0.098 0.000 0.934 243 D HN 0.408 nan 8.370 nan 0.000 0.453 244 F N 1.000 120.977 119.950 0.045 0.000 2.126 244 F HA -0.142 4.385 4.527 -0.000 0.000 0.299 244 F C 2.096 177.869 175.800 -0.045 0.000 1.096 244 F CA 1.165 59.210 58.000 0.074 0.000 1.255 244 F CB -0.130 39.005 39.000 0.226 0.000 0.997 244 F HN -0.072 nan 8.300 nan 0.000 0.479 245 L N -0.532 120.612 121.223 -0.132 0.000 2.217 245 L HA -0.157 4.182 4.340 -0.000 0.000 0.211 245 L C 2.029 178.914 176.870 0.026 0.000 1.107 245 L CA 0.895 55.587 54.840 -0.247 0.000 0.783 245 L CB -0.783 40.880 42.059 -0.660 0.000 0.919 245 L HN 0.088 nan 8.230 nan 0.000 0.442 246 D N 0.171 120.577 120.400 0.011 0.000 2.117 246 D HA -0.213 4.427 4.640 -0.000 0.000 0.197 246 D C 2.007 178.359 176.300 0.087 0.000 0.987 246 D CA 1.194 55.228 54.000 0.057 0.000 0.829 246 D CB 0.162 40.978 40.800 0.027 0.000 0.961 246 D HN 0.233 nan 8.370 nan 0.000 0.460 247 E N 0.807 121.043 120.200 0.060 0.000 2.077 247 E HA -0.100 4.250 4.350 -0.000 0.000 0.193 247 E C 2.250 178.978 176.600 0.214 0.000 0.989 247 E CA 0.630 57.122 56.400 0.153 0.000 0.800 247 E CB -0.378 29.369 29.700 0.079 0.000 0.746 247 E HN 0.221 nan 8.360 nan 0.000 0.452 248 L N 0.187 121.452 121.223 0.071 0.000 2.141 248 L HA -0.108 4.232 4.340 -0.000 0.000 0.209 248 L C 2.530 179.429 176.870 0.048 0.000 1.094 248 L CA 1.207 56.059 54.840 0.021 0.000 0.763 248 L CB -0.266 41.719 42.059 -0.123 0.000 0.908 248 L HN 0.101 nan 8.230 nan 0.000 0.437 249 K N -0.853 119.639 120.400 0.153 0.000 2.147 249 K HA -0.247 4.073 4.320 -0.000 0.000 0.205 249 K C 2.173 178.705 176.600 -0.114 0.000 1.049 249 K CA 1.319 57.584 56.287 -0.036 0.000 0.936 249 K CB -0.141 32.240 32.500 -0.199 0.000 0.722 249 K HN 0.165 nan 8.250 nan 0.000 0.446 250 Y N 1.378 121.573 120.300 -0.176 0.000 2.224 250 Y HA -0.236 4.314 4.550 -0.000 0.000 0.289 250 Y C 2.177 177.850 175.900 -0.378 0.000 1.146 250 Y CA 2.049 60.015 58.100 -0.223 0.000 1.182 250 Y CB 0.063 38.429 38.460 -0.156 0.000 0.983 250 Y HN 0.207 nan 8.280 nan 0.000 0.524 251 E N -0.092 119.786 120.200 -0.536 0.000 2.076 251 E HA -0.117 4.233 4.350 -0.000 0.000 0.190 251 E C 1.933 178.371 176.600 -0.269 0.000 0.979 251 E CA 1.343 57.341 56.400 -0.669 0.000 0.807 251 E CB -0.345 28.566 29.700 -1.315 0.000 0.761 251 E HN 0.372 nan 8.360 nan 0.000 0.454 252 I N 1.641 122.098 120.570 -0.188 0.000 2.394 252 I HA -0.192 3.977 4.170 -0.000 0.000 0.251 252 I C 1.391 177.453 176.117 -0.091 0.000 1.136 252 I CA 1.196 62.443 61.300 -0.090 0.000 1.425 252 I CB -1.137 36.904 38.000 0.067 0.000 1.079 252 I HN 0.167 nan 8.210 nan 0.000 0.425 253 D N -0.170 120.173 120.400 -0.095 0.000 2.149 253 D HA -0.245 4.394 4.640 -0.000 0.000 0.198 253 D C 1.896 178.131 176.300 -0.109 0.000 0.990 253 D CA 1.061 55.005 54.000 -0.093 0.000 0.839 253 D CB -0.269 40.405 40.800 -0.210 0.000 0.948 253 D HN 0.493 nan 8.370 nan 0.000 0.460 254 W N 1.306 122.447 121.300 -0.264 0.000 2.407 254 W HA -0.039 4.621 4.660 -0.000 0.000 0.305 254 W C 1.852 178.313 176.519 -0.097 0.000 1.196 254 W CA 0.547 57.765 57.345 -0.213 0.000 1.311 254 W CB -0.366 28.925 29.460 -0.282 0.000 1.135 254 W HN -0.202 nan 8.180 nan 0.000 0.514 255 I N 1.120 121.326 120.570 -0.607 0.000 2.315 255 I HA -0.308 3.862 4.170 -0.000 0.000 0.251 255 I C 2.310 178.265 176.117 -0.270 0.000 1.125 255 I CA 1.520 62.426 61.300 -0.656 0.000 1.392 255 I CB -1.495 36.281 38.000 -0.373 0.000 1.065 255 I HN 0.139 nan 8.210 nan 0.000 0.424 256 L N 0.472 121.582 121.223 -0.189 0.000 2.131 256 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 256 L C 2.502 179.374 176.870 0.003 0.000 1.092 256 L CA 1.815 56.648 54.840 -0.012 0.000 0.759 256 L CB -0.732 41.271 42.059 -0.094 0.000 0.903 256 L HN 0.386 nan 8.230 nan 0.000 0.435 257 T N -3.804 110.687 114.554 -0.105 0.000 3.160 257 T HA -0.057 4.293 4.350 -0.000 0.000 0.257 257 T C 1.554 176.272 174.700 0.030 0.000 1.147 257 T CA 0.339 62.423 62.100 -0.027 0.000 1.064 257 T CB -0.008 68.876 68.868 0.026 0.000 0.949 257 T HN 0.079 nan 8.240 nan 0.000 0.526 258 M N 0.664 120.215 119.600 -0.081 0.000 2.561 258 M HA 0.294 4.774 4.480 -0.000 0.000 0.238 258 M C 0.877 177.120 176.300 -0.094 0.000 1.131 258 M CA 0.188 55.477 55.300 -0.017 0.000 1.046 258 M CB -0.765 31.724 32.600 -0.185 0.000 1.532 258 M HN 0.416 nan 8.290 nan 0.000 0.497 259 Q N 0.190 119.861 119.800 -0.216 0.000 2.314 259 Q HA 0.071 4.411 4.340 -0.000 0.000 0.258 259 Q C -0.950 174.966 176.000 -0.140 0.000 0.954 259 Q CA -0.248 55.348 55.803 -0.346 0.000 0.890 259 Q CB 0.802 29.304 28.738 -0.394 0.000 1.210 259 Q HN 0.073 nan 8.270 nan 0.000 0.410 260 Y N 4.098 124.185 120.300 -0.354 0.000 2.805 260 Y HA -0.087 4.463 4.550 -0.000 0.000 0.337 260 Y C -1.186 174.545 175.900 -0.281 0.000 1.252 260 Y CA -1.389 56.517 58.100 -0.323 0.000 1.515 260 Y CB 0.161 38.422 38.460 -0.333 0.000 1.305 260 Y HN 0.594 nan 8.280 nan 0.000 0.600 261 P HA -0.083 nan 4.420 nan 0.000 0.237 261 P C 0.276 177.508 177.300 -0.112 0.000 1.178 261 P CA 1.042 64.041 63.100 -0.167 0.000 0.766 261 P CB 0.216 31.780 31.700 -0.226 0.000 0.876 262 D N -0.871 119.479 120.400 -0.083 0.000 2.328 262 D HA 0.072 4.712 4.640 -0.000 0.000 0.226 262 D C 1.458 177.720 176.300 -0.064 0.000 1.066 262 D CA 0.318 54.280 54.000 -0.063 0.000 0.861 262 D CB -1.069 39.707 40.800 -0.040 0.000 0.912 262 D HN 0.181 nan 8.370 nan 0.000 0.521 263 G N 0.557 109.310 108.800 -0.078 0.000 2.166 263 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.260 263 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.260 263 G C 1.171 176.010 174.900 -0.101 0.000 0.986 263 G CA 1.044 46.094 45.100 -0.083 0.000 0.683 263 G HN 0.676 nan 8.290 nan 0.000 0.527 264 S N -0.925 114.688 115.700 -0.144 0.000 2.481 264 S HA 0.343 4.813 4.470 -0.000 0.000 0.231 264 S C 2.402 176.822 174.600 -0.300 0.000 0.996 264 S CA 1.484 59.568 58.200 -0.195 0.000 0.942 264 S CB -0.026 63.004 63.200 -0.284 0.000 0.768 264 S HN 2.380 nan 8.310 nan 0.000 0.520 265 G N 1.020 109.600 108.800 -0.365 0.000 2.175 265 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.244 265 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.244 265 G C 0.160 174.608 174.900 -0.752 0.000 0.982 265 G CA -0.048 44.806 45.100 -0.409 0.000 0.641 265 G HN 0.590 nan 8.290 nan 0.000 0.527 266 R N -0.258 119.573 120.500 -1.116 0.000 2.539 266 R HA 0.514 4.853 4.340 -0.000 0.000 0.275 266 R C -0.136 175.616 176.300 -0.914 0.000 1.077 266 R CA -0.142 55.120 56.100 -1.396 0.000 1.097 266 R CB 1.343 30.356 30.300 -2.146 0.000 1.018 266 R HN 0.090 nan 8.270 nan 0.000 0.483 267 V N 2.599 122.187 119.914 -0.542 0.000 2.448 267 V HA 0.333 4.453 4.120 -0.000 0.000 0.295 267 V C 0.198 176.315 176.094 0.039 0.000 1.025 267 V CA -1.014 61.111 62.300 -0.292 0.000 0.859 267 V CB 1.550 33.172 31.823 -0.335 0.000 0.988 267 V HN 0.963 nan 8.190 nan 0.000 0.431 268 A N 2.245 125.204 122.820 0.231 0.000 2.531 268 A HA 0.110 4.430 4.320 -0.000 0.000 0.236 268 A C 1.049 178.809 177.584 0.294 0.000 1.062 268 A CA 0.401 52.680 52.037 0.404 0.000 0.760 268 A CB -0.257 19.037 19.000 0.491 0.000 0.995 268 A HN 1.069 nan 8.150 nan 0.000 0.501 269 H N 0.986 120.157 119.070 0.168 0.000 2.395 269 H HA 0.076 4.632 4.556 -0.000 0.000 0.299 269 H C 0.701 176.102 175.328 0.121 0.000 1.070 269 H CA 2.108 58.226 56.048 0.117 0.000 1.356 269 H CB 0.087 29.893 29.762 0.073 0.000 1.401 269 H HN 0.730 nan 8.280 nan 0.000 0.524 270 K N -1.920 118.575 120.400 0.158 0.000 2.658 270 K HA 0.363 4.683 4.320 -0.000 0.000 0.293 270 K C -1.976 174.586 176.600 -0.063 0.000 1.026 270 K CA -0.889 55.407 56.287 0.016 0.000 0.871 270 K CB 1.182 33.595 32.500 -0.145 0.000 1.524 270 K HN -0.147 nan 8.250 nan 0.000 0.400 271 V N 1.080 120.895 119.914 -0.165 0.000 2.409 271 V HA 0.603 4.723 4.120 -0.000 0.000 0.291 271 V C -0.893 174.996 176.094 -0.342 0.000 1.020 271 V CA -0.262 61.884 62.300 -0.257 0.000 0.848 271 V CB 1.267 32.926 31.823 -0.272 0.000 0.990 271 V HN 0.812 nan 8.190 nan 0.000 0.430 272 S N 3.111 118.671 115.700 -0.234 0.000 2.565 272 S HA 0.663 5.133 4.470 -0.000 0.000 0.269 272 S C -0.231 174.448 174.600 0.132 0.000 1.153 272 S CA -0.205 57.902 58.200 -0.154 0.000 0.835 272 S CB 2.144 65.199 63.200 -0.242 0.000 1.122 272 S HN 0.932 nan 8.310 nan 0.000 0.462 273 T N 1.129 115.759 114.554 0.127 0.000 2.816 273 T HA 0.437 4.787 4.350 -0.000 0.000 0.282 273 T C 1.371 176.266 174.700 0.325 0.000 0.993 273 T CA -0.627 61.612 62.100 0.231 0.000 0.994 273 T CB 0.456 69.409 68.868 0.141 0.000 1.025 273 T HN 0.672 nan 8.240 nan 0.000 0.529 274 R N 0.844 121.486 120.500 0.236 0.000 2.092 274 R HA 0.021 4.361 4.340 -0.000 0.000 0.231 274 R C 0.149 176.426 176.300 -0.039 0.000 1.119 274 R CA 1.192 57.264 56.100 -0.048 0.000 0.970 274 R CB -0.307 29.864 30.300 -0.215 0.000 0.864 274 R HN 0.701 nan 8.270 nan 0.000 0.440 275 N N -1.238 117.456 118.700 -0.010 0.000 2.509 275 N HA 0.226 4.966 4.740 -0.000 0.000 0.280 275 N C -1.322 174.177 175.510 -0.018 0.000 1.306 275 N CA -0.737 52.281 53.050 -0.052 0.000 0.782 275 N CB 0.748 39.243 38.487 0.012 0.000 1.493 275 N HN -0.212 nan 8.380 nan 0.000 0.498 276 F N 1.284 121.259 119.950 0.041 0.000 2.541 276 F HA 0.282 4.809 4.527 -0.000 0.000 0.378 276 F C 1.626 177.432 175.800 0.009 0.000 1.068 276 F CA -0.048 57.959 58.000 0.012 0.000 1.199 276 F CB -0.197 38.801 39.000 -0.002 0.000 1.091 276 F HN 0.490 nan 8.300 nan 0.000 0.555 277 G N 2.080 110.997 108.800 0.194 0.000 2.570 277 G HA2 0.453 4.413 3.960 -0.000 0.000 0.276 277 G HA3 0.453 4.413 3.960 -0.000 0.000 0.276 277 G C 0.340 175.285 174.900 0.074 0.000 1.346 277 G CA -0.176 44.989 45.100 0.109 0.000 1.034 277 G HN 0.906 nan 8.290 nan 0.000 0.512 278 G N -2.007 106.830 108.800 0.061 0.000 2.557 278 G HA2 0.463 4.423 3.960 -0.000 0.000 0.302 278 G HA3 0.463 4.423 3.960 -0.000 0.000 0.302 278 G C -0.947 173.976 174.900 0.039 0.000 1.311 278 G CA -0.854 44.309 45.100 0.106 0.000 1.030 278 G HN 0.282 nan 8.290 nan 0.000 0.509 279 F N 1.350 121.249 119.950 -0.084 0.000 2.662 279 F HA 0.293 4.820 4.527 -0.000 0.000 0.343 279 F C 0.957 176.720 175.800 -0.061 0.000 1.302 279 F CA -0.258 57.675 58.000 -0.112 0.000 1.142 279 F CB -0.767 38.156 39.000 -0.129 0.000 1.524 279 F HN 0.226 nan 8.300 nan 0.000 0.668 280 I N -1.330 119.228 120.570 -0.020 0.000 3.145 280 I HA 0.541 4.711 4.170 -0.000 0.000 0.313 280 I C -0.257 175.851 176.117 -0.014 0.000 1.122 280 I CA -1.505 59.797 61.300 0.003 0.000 0.987 280 I CB 1.511 39.507 38.000 -0.006 0.000 1.236 280 I HN -0.188 nan 8.210 nan 0.000 0.453 281 M N 3.218 122.785 119.600 -0.054 0.000 2.248 281 M HA 0.225 4.705 4.480 -0.000 0.000 0.337 281 M C -1.477 174.634 176.300 -0.315 0.000 1.121 281 M CA -2.357 52.859 55.300 -0.139 0.000 1.155 281 M CB 0.017 32.566 32.600 -0.086 0.000 1.514 281 M HN 0.493 nan 8.290 nan 0.000 0.452 282 P HA -0.198 nan 4.420 nan 0.000 0.218 282 P C 0.768 177.634 177.300 -0.724 0.000 1.148 282 P CA 1.589 64.052 63.100 -1.062 0.000 0.822 282 P CB -0.198 30.575 31.700 -1.545 0.000 0.784 283 E N -0.348 119.541 120.200 -0.518 0.000 2.478 283 E HA -0.114 4.236 4.350 -0.000 0.000 0.198 283 E C 0.810 177.167 176.600 -0.405 0.000 1.046 283 E CA 0.699 56.882 56.400 -0.362 0.000 0.870 283 E CB -0.882 28.730 29.700 -0.148 0.000 0.818 283 E HN 0.231 nan 8.360 nan 0.000 0.527 284 N N 1.110 119.553 118.700 -0.430 0.000 2.280 284 N HA 0.001 4.741 4.740 -0.000 0.000 0.192 284 N C -0.294 174.826 175.510 -0.650 0.000 1.109 284 N CA 0.094 52.859 53.050 -0.475 0.000 0.855 284 N CB 0.521 38.886 38.487 -0.204 0.000 0.974 284 N HN 0.362 nan 8.380 nan 0.000 0.482 285 E N 0.224 120.064 120.200 -0.599 0.000 2.052 285 E HA 0.071 4.421 4.350 -0.000 0.000 0.283 285 E C -0.119 176.197 176.600 -0.473 0.000 1.071 285 E CA -0.063 56.099 56.400 -0.397 0.000 0.851 285 E CB 0.271 29.875 29.700 -0.161 0.000 1.066 285 E HN 0.325 nan 8.360 nan 0.000 0.396 286 H N 1.957 120.986 119.070 -0.068 0.000 2.622 286 H HA 0.089 4.645 4.556 -0.000 0.000 0.269 286 H C -0.389 174.941 175.328 0.004 0.000 0.977 286 H CA -0.458 55.562 56.048 -0.047 0.000 1.179 286 H CB 0.467 30.212 29.762 -0.029 0.000 1.458 286 H HN 0.504 nan 8.280 nan 0.000 0.531 287 D N 1.613 122.081 120.400 0.112 0.000 2.406 287 D HA -0.050 4.590 4.640 -0.000 0.000 0.234 287 D C 0.107 176.469 176.300 0.104 0.000 1.196 287 D CA 0.583 54.654 54.000 0.118 0.000 0.881 287 D CB 0.742 41.613 40.800 0.119 0.000 1.205 287 D HN 0.307 nan 8.370 nan 0.000 0.453 288 E N 1.083 121.340 120.200 0.095 0.000 2.354 288 E HA 0.247 4.597 4.350 -0.000 0.000 0.269 288 E C -0.048 176.402 176.600 -0.250 0.000 1.036 288 E CA -0.275 56.117 56.400 -0.013 0.000 0.876 288 E CB 0.929 30.606 29.700 -0.039 0.000 1.009 288 E HN 0.198 nan 8.360 nan 0.000 0.416 289 R N 2.337 122.639 120.500 -0.331 0.000 2.589 289 R HA 0.470 4.810 4.340 -0.000 0.000 0.293 289 R C -0.843 175.136 176.300 -0.534 0.000 0.963 289 R CA -0.628 55.280 56.100 -0.321 0.000 0.905 289 R CB 0.998 31.198 30.300 -0.166 0.000 1.144 289 R HN 0.360 nan 8.270 nan 0.000 0.459 290 F N 0.878 120.937 119.950 0.181 0.000 2.579 290 F HA 0.465 4.992 4.527 -0.000 0.000 0.324 290 F C 0.121 175.937 175.800 0.027 0.000 1.058 290 F CA -1.007 57.139 58.000 0.245 0.000 0.944 290 F CB 0.924 40.225 39.000 0.502 0.000 1.245 290 F HN 0.274 nan 8.300 nan 0.000 0.477 291 F N 1.257 121.372 119.950 0.275 0.000 2.412 291 F HA 0.480 5.007 4.527 -0.000 0.000 0.348 291 F C 0.135 175.990 175.800 0.091 0.000 1.102 291 F CA -0.491 57.587 58.000 0.130 0.000 1.196 291 F CB 0.888 39.949 39.000 0.103 0.000 1.144 291 F HN -0.026 nan 8.300 nan 0.000 0.541 292 V N 5.058 125.051 119.914 0.132 0.000 2.532 292 V HA 0.329 4.449 4.120 -0.000 0.000 0.295 292 V C -2.049 174.155 176.094 0.184 0.000 1.041 292 V CA -2.330 59.939 62.300 -0.052 0.000 0.926 292 V CB 1.597 33.196 31.823 -0.375 0.000 0.992 292 V HN 0.540 nan 8.190 nan 0.000 0.457 293 P HA -0.099 nan 4.420 nan 0.000 0.267 293 P C -0.096 177.386 177.300 0.304 0.000 1.175 293 P CA 0.196 63.504 63.100 0.345 0.000 0.763 293 P CB 0.262 32.107 31.700 0.242 0.000 0.795 294 W N 2.803 124.233 121.300 0.217 0.000 2.089 294 W HA 0.313 4.973 4.660 -0.000 0.000 0.355 294 W C -0.546 175.973 176.519 -0.000 0.000 1.305 294 W CA -0.230 57.120 57.345 0.008 0.000 1.281 294 W CB -0.844 28.379 29.460 -0.395 0.000 1.183 294 W HN 0.460 nan 8.180 nan 0.000 0.604 295 S N -0.249 115.347 115.700 -0.174 0.000 2.569 295 S HA 0.379 4.849 4.470 -0.000 0.000 0.280 295 S C 0.656 175.190 174.600 -0.110 0.000 1.111 295 S CA -0.156 57.806 58.200 -0.396 0.000 0.887 295 S CB 1.610 64.759 63.200 -0.085 0.000 1.095 295 S HN 0.672 nan 8.310 nan 0.000 0.476 296 S N 1.656 117.234 115.700 -0.204 0.000 2.383 296 S HA -0.020 4.450 4.470 -0.000 0.000 0.227 296 S C 2.014 176.712 174.600 0.163 0.000 1.026 296 S CA 0.748 59.040 58.200 0.153 0.000 0.981 296 S CB -1.104 62.156 63.200 0.100 0.000 0.818 296 S HN 1.231 nan 8.310 nan 0.000 0.472 297 A N 2.296 125.186 122.820 0.117 0.000 1.902 297 A HA 0.281 4.600 4.320 -0.000 0.000 0.217 297 A C 2.545 180.263 177.584 0.225 0.000 1.181 297 A CA 1.768 53.918 52.037 0.188 0.000 0.623 297 A CB -1.499 17.632 19.000 0.219 0.000 0.818 297 A HN 0.878 nan 8.150 nan 0.000 0.443 298 A N -1.122 121.840 122.820 0.237 0.000 1.972 298 A HA -0.057 4.263 4.320 -0.000 0.000 0.219 298 A C 2.247 179.947 177.584 0.194 0.000 1.169 298 A CA 2.205 54.367 52.037 0.207 0.000 0.635 298 A CB -1.049 18.086 19.000 0.225 0.000 0.810 298 A HN 0.441 nan 8.150 nan 0.000 0.446 299 T N -0.044 114.625 114.554 0.192 0.000 2.812 299 T HA 0.100 4.450 4.350 -0.000 0.000 0.264 299 T C 2.230 177.052 174.700 0.202 0.000 1.042 299 T CA 1.255 63.440 62.100 0.142 0.000 1.140 299 T CB -0.309 68.644 68.868 0.142 0.000 0.870 299 T HN 0.563 nan 8.240 nan 0.000 0.445 300 A N 1.969 124.913 122.820 0.207 0.000 1.930 300 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 300 A C 2.057 179.725 177.584 0.141 0.000 1.175 300 A CA 1.489 53.640 52.037 0.189 0.000 0.627 300 A CB -0.523 18.597 19.000 0.199 0.000 0.815 300 A HN 0.312 nan 8.150 nan 0.000 0.443 301 D N -1.002 119.512 120.400 0.190 0.000 2.144 301 D HA -0.116 4.524 4.640 -0.000 0.000 0.200 301 D C 1.573 177.902 176.300 0.047 0.000 0.978 301 D CA 1.079 55.178 54.000 0.165 0.000 0.833 301 D CB -0.456 40.518 40.800 0.290 0.000 0.961 301 D HN 0.485 nan 8.370 nan 0.000 0.470 302 F N 1.537 121.467 119.950 -0.032 0.000 2.095 302 F HA -0.233 4.294 4.527 -0.000 0.000 0.298 302 F C 2.139 177.872 175.800 -0.113 0.000 1.104 302 F CA 1.115 59.069 58.000 -0.078 0.000 1.232 302 F CB -0.267 38.689 39.000 -0.074 0.000 0.987 302 F HN -0.215 nan 8.300 nan 0.000 0.475 303 V N 0.716 120.715 119.914 0.141 0.000 2.261 303 V HA -0.324 3.796 4.120 -0.000 0.000 0.246 303 V C 2.792 178.736 176.094 -0.250 0.000 1.047 303 V CA 1.940 64.248 62.300 0.013 0.000 1.015 303 V CB -1.634 30.269 31.823 0.133 0.000 0.642 303 V HN 0.505 nan 8.190 nan 0.000 0.446 304 A N -0.616 121.954 122.820 -0.417 0.000 1.883 304 A HA -0.272 4.048 4.320 -0.000 0.000 0.217 304 A C 2.251 179.474 177.584 -0.601 0.000 1.186 304 A CA 2.453 53.993 52.037 -0.827 0.000 0.624 304 A CB -0.521 17.333 19.000 -1.911 0.000 0.822 304 A HN 0.508 nan 8.150 nan 0.000 0.444 305 M N -0.268 119.076 119.600 -0.426 0.000 2.117 305 M HA -0.130 4.350 4.480 -0.000 0.000 0.262 305 M C 2.356 178.589 176.300 -0.112 0.000 1.065 305 M CA 2.033 57.267 55.300 -0.110 0.000 1.114 305 M CB -0.660 31.907 32.600 -0.055 0.000 1.361 305 M HN 0.703 nan 8.290 nan 0.000 0.408 306 T N -1.762 112.582 114.554 -0.349 0.000 2.985 306 T HA 0.131 4.481 4.350 -0.000 0.000 0.266 306 T C 1.835 176.387 174.700 -0.246 0.000 1.076 306 T CA 0.873 62.761 62.100 -0.354 0.000 1.135 306 T CB -0.383 68.121 68.868 -0.606 0.000 0.890 306 T HN 0.344 nan 8.240 nan 0.000 0.480 307 A N 1.651 124.321 122.820 -0.250 0.000 1.930 307 A HA 0.195 4.515 4.320 -0.000 0.000 0.217 307 A C 2.457 179.920 177.584 -0.201 0.000 1.175 307 A CA 1.289 53.188 52.037 -0.230 0.000 0.627 307 A CB -0.715 18.123 19.000 -0.271 0.000 0.815 307 A HN 0.503 nan 8.150 nan 0.000 0.443 308 M N -0.599 118.889 119.600 -0.187 0.000 2.099 308 M HA -0.107 4.373 4.480 -0.000 0.000 0.262 308 M C 2.558 178.606 176.300 -0.421 0.000 1.067 308 M CA 1.382 56.539 55.300 -0.238 0.000 1.124 308 M CB -0.398 32.142 32.600 -0.100 0.000 1.353 308 M HN 0.463 nan 8.290 nan 0.000 0.410 309 A N 0.491 123.145 122.820 -0.278 0.000 1.940 309 A HA -0.100 4.220 4.320 -0.000 0.000 0.219 309 A C 2.348 179.983 177.584 0.085 0.000 1.176 309 A CA 1.969 53.986 52.037 -0.034 0.000 0.631 309 A CB -0.922 18.238 19.000 0.266 0.000 0.814 309 A HN 0.511 nan 8.150 nan 0.000 0.446 310 A N 0.852 123.640 122.820 -0.055 0.000 1.858 310 A HA -0.198 4.122 4.320 -0.000 0.000 0.216 310 A C 2.253 179.824 177.584 -0.021 0.000 1.190 310 A CA 1.925 53.936 52.037 -0.043 0.000 0.617 310 A CB -0.544 18.392 19.000 -0.108 0.000 0.827 310 A HN 0.733 nan 8.150 nan 0.000 0.443 311 R N -0.473 119.976 120.500 -0.085 0.000 2.115 311 R HA 0.116 4.455 4.340 -0.000 0.000 0.226 311 R C 1.748 178.017 176.300 -0.052 0.000 1.100 311 R CA 1.590 57.645 56.100 -0.075 0.000 0.980 311 R CB -0.532 29.704 30.300 -0.106 0.000 0.875 311 R HN 0.460 nan 8.270 nan 0.000 0.445 312 I N 0.086 120.580 120.570 -0.127 0.000 2.406 312 I HA -0.098 4.072 4.170 -0.000 0.000 0.249 312 I C 1.325 177.369 176.117 -0.121 0.000 1.122 312 I CA 1.001 62.204 61.300 -0.162 0.000 1.431 312 I CB -0.010 37.688 38.000 -0.503 0.000 1.087 312 I HN 0.070 nan 8.210 nan 0.000 0.424 313 F N 0.286 120.277 119.950 0.069 0.000 2.664 313 F HA 0.092 4.619 4.527 -0.000 0.000 0.296 313 F C 2.435 178.337 175.800 0.170 0.000 1.125 313 F CA 0.374 58.495 58.000 0.202 0.000 1.444 313 F CB -0.351 38.791 39.000 0.236 0.000 1.114 313 F HN -0.148 nan 8.300 nan 0.000 0.576 314 R N 0.833 121.458 120.500 0.208 0.000 2.113 314 R HA -0.197 4.143 4.340 -0.000 0.000 0.244 314 R C -0.700 175.608 176.300 0.014 0.000 1.142 314 R CA 2.044 58.202 56.100 0.097 0.000 0.953 314 R CB -1.443 28.873 30.300 0.026 0.000 0.860 314 R HN 0.143 nan 8.270 nan 0.000 0.438 315 P HA -0.133 nan 4.420 nan 0.000 0.219 315 P C 0.211 177.245 177.300 -0.444 0.000 1.146 315 P CA 1.411 64.296 63.100 -0.359 0.000 0.808 315 P CB 0.014 31.334 31.700 -0.633 0.000 0.779 316 Y N -2.288 118.082 120.300 0.116 0.000 2.500 316 Y HA 0.237 4.787 4.550 -0.000 0.000 0.284 316 Y C 0.812 176.790 175.900 0.130 0.000 1.118 316 Y CA 0.209 58.383 58.100 0.124 0.000 1.241 316 Y CB 0.156 38.699 38.460 0.139 0.000 1.171 316 Y HN -0.167 nan 8.280 nan 0.000 0.540 317 D N -0.635 119.950 120.400 0.309 0.000 2.472 317 D HA 0.231 4.871 4.640 -0.000 0.000 0.248 317 D C -2.532 173.889 176.300 0.201 0.000 1.271 317 D CA -2.031 52.100 54.000 0.219 0.000 0.888 317 D CB 1.300 42.216 40.800 0.194 0.000 1.337 317 D HN -0.083 nan 8.370 nan 0.000 0.526 318 P HA -0.141 nan 4.420 nan 0.000 0.216 318 P C 1.525 178.869 177.300 0.073 0.000 1.150 318 P CA 1.837 64.987 63.100 0.082 0.000 0.837 318 P CB 0.368 32.095 31.700 0.044 0.000 0.786 319 Q N -0.977 118.870 119.800 0.079 0.000 2.119 319 Q HA -0.230 4.110 4.340 -0.000 0.000 0.201 319 Q C 2.116 178.159 176.000 0.072 0.000 0.972 319 Q CA 1.704 57.542 55.803 0.060 0.000 0.847 319 Q CB -2.178 26.595 28.738 0.057 0.000 0.903 319 Q HN 0.327 nan 8.270 nan 0.000 0.433 320 Y N 0.599 120.879 120.300 -0.034 0.000 2.242 320 Y HA 0.148 4.698 4.550 -0.000 0.000 0.291 320 Y C 2.661 178.515 175.900 -0.076 0.000 1.137 320 Y CA 1.150 59.197 58.100 -0.088 0.000 1.181 320 Y CB -0.440 37.923 38.460 -0.162 0.000 0.989 320 Y HN 0.378 nan 8.280 nan 0.000 0.527 321 A N -0.274 122.573 122.820 0.046 0.000 1.969 321 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 321 A C 2.066 179.596 177.584 -0.091 0.000 1.169 321 A CA 1.791 53.820 52.037 -0.013 0.000 0.635 321 A CB -0.639 18.412 19.000 0.086 0.000 0.810 321 A HN 0.475 nan 8.150 nan 0.000 0.445 322 E N 0.293 120.455 120.200 -0.064 0.000 2.072 322 E HA -0.172 4.178 4.350 -0.000 0.000 0.191 322 E C 1.988 178.526 176.600 -0.103 0.000 0.985 322 E CA 1.695 58.056 56.400 -0.064 0.000 0.801 322 E CB -0.226 29.454 29.700 -0.033 0.000 0.750 322 E HN 0.611 nan 8.360 nan 0.000 0.452 323 K N -0.520 119.792 120.400 -0.147 0.000 2.057 323 K HA -0.143 4.177 4.320 -0.000 0.000 0.207 323 K C 2.089 178.547 176.600 -0.236 0.000 1.049 323 K CA 1.618 57.795 56.287 -0.183 0.000 0.931 323 K CB -0.341 32.023 32.500 -0.226 0.000 0.714 323 K HN 0.250 nan 8.250 nan 0.000 0.440 324 C N 0.395 119.489 119.300 -0.344 0.000 2.453 324 C HA -0.075 4.385 4.460 -0.000 0.000 0.277 324 C C 2.535 177.402 174.990 -0.205 0.000 1.262 324 C CA 0.294 59.114 59.018 -0.329 0.000 1.718 324 C CB -0.688 26.827 27.740 -0.375 0.000 2.031 324 C HN 0.590 nan 8.230 nan 0.000 0.480 325 I N 1.873 122.349 120.570 -0.157 0.000 2.394 325 I HA -0.133 4.037 4.170 -0.000 0.000 0.251 325 I C 1.876 177.949 176.117 -0.072 0.000 1.136 325 I CA 1.554 62.784 61.300 -0.117 0.000 1.425 325 I CB -0.671 37.270 38.000 -0.099 0.000 1.079 325 I HN 0.362 nan 8.210 nan 0.000 0.425 326 N N 0.205 118.868 118.700 -0.061 0.000 2.188 326 N HA -0.101 4.639 4.740 -0.000 0.000 0.184 326 N C 1.930 177.444 175.510 0.006 0.000 1.018 326 N CA 1.101 54.137 53.050 -0.024 0.000 0.858 326 N CB -0.260 38.209 38.487 -0.029 0.000 0.989 326 N HN 0.436 nan 8.380 nan 0.000 0.426 327 A N 1.152 123.977 122.820 0.007 0.000 1.898 327 A HA 0.030 4.350 4.320 -0.000 0.000 0.216 327 A C 2.316 180.022 177.584 0.204 0.000 1.181 327 A CA 1.568 53.672 52.037 0.113 0.000 0.620 327 A CB -0.878 18.218 19.000 0.160 0.000 0.819 327 A HN 0.324 nan 8.150 nan 0.000 0.442 328 A N -0.006 122.864 122.820 0.083 0.000 1.908 328 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 328 A C 2.106 179.756 177.584 0.111 0.000 1.181 328 A CA 1.952 54.034 52.037 0.075 0.000 0.627 328 A CB -0.460 18.482 19.000 -0.097 0.000 0.818 328 A HN 0.558 nan 8.150 nan 0.000 0.445 329 K N -0.518 119.923 120.400 0.069 0.000 2.057 329 K HA -0.070 4.250 4.320 -0.000 0.000 0.207 329 K C 1.885 178.582 176.600 0.161 0.000 1.049 329 K CA 1.395 57.754 56.287 0.119 0.000 0.931 329 K CB -0.401 32.151 32.500 0.086 0.000 0.714 329 K HN 0.307 nan 8.250 nan 0.000 0.440 330 V N 1.129 121.107 119.914 0.108 0.000 2.255 330 V HA -0.269 3.851 4.120 -0.000 0.000 0.247 330 V C 2.121 178.269 176.094 0.090 0.000 1.051 330 V CA 2.051 64.396 62.300 0.075 0.000 1.018 330 V CB -0.447 31.387 31.823 0.017 0.000 0.641 330 V HN 0.266 nan 8.190 nan 0.000 0.445 331 S N -1.491 114.263 115.700 0.090 0.000 2.402 331 S HA -0.191 4.279 4.470 -0.000 0.000 0.229 331 S C 1.819 176.537 174.600 0.196 0.000 1.021 331 S CA 1.536 59.783 58.200 0.077 0.000 0.974 331 S CB -0.433 62.775 63.200 0.013 0.000 0.800 331 S HN 0.690 nan 8.310 nan 0.000 0.484 332 Y N 2.578 122.943 120.300 0.108 0.000 2.242 332 Y HA -0.114 4.436 4.550 -0.000 0.000 0.291 332 Y C 2.605 178.572 175.900 0.111 0.000 1.137 332 Y CA 1.781 59.947 58.100 0.110 0.000 1.181 332 Y CB -0.732 37.780 38.460 0.087 0.000 0.989 332 Y HN 0.332 nan 8.280 nan 0.000 0.527 333 E N 0.334 120.628 120.200 0.158 0.000 2.077 333 E HA -0.270 4.080 4.350 -0.000 0.000 0.193 333 E C 1.992 178.556 176.600 -0.061 0.000 0.989 333 E CA 1.458 57.887 56.400 0.048 0.000 0.800 333 E CB -1.580 28.179 29.700 0.097 0.000 0.746 333 E HN 0.654 nan 8.360 nan 0.000 0.452 334 F N 0.938 120.820 119.950 -0.113 0.000 2.069 334 F HA -0.102 4.425 4.527 -0.000 0.000 0.298 334 F C 2.295 177.996 175.800 -0.165 0.000 1.113 334 F CA 1.991 59.896 58.000 -0.158 0.000 1.214 334 F CB -0.269 38.606 39.000 -0.209 0.000 0.978 334 F HN 0.158 nan 8.300 nan 0.000 0.474 335 L N 0.434 121.596 121.223 -0.101 0.000 2.079 335 L HA -0.266 4.074 4.340 -0.000 0.000 0.210 335 L C 2.556 179.227 176.870 -0.330 0.000 1.081 335 L CA 1.996 56.730 54.840 -0.177 0.000 0.752 335 L CB -0.807 41.210 42.059 -0.069 0.000 0.896 335 L HN 0.195 nan 8.230 nan 0.000 0.433 336 K N 0.114 120.265 120.400 -0.414 0.000 2.147 336 K HA -0.158 4.161 4.320 -0.000 0.000 0.205 336 K C 1.669 178.112 176.600 -0.262 0.000 1.049 336 K CA 1.469 57.542 56.287 -0.357 0.000 0.936 336 K CB 0.082 32.367 32.500 -0.359 0.000 0.722 336 K HN 0.307 nan 8.250 nan 0.000 0.446 337 N N 0.576 119.086 118.700 -0.316 0.000 2.424 337 N HA -0.021 4.719 4.740 -0.000 0.000 0.178 337 N C -0.423 174.879 175.510 -0.346 0.000 1.060 337 N CA 0.478 53.352 53.050 -0.294 0.000 0.901 337 N CB 0.324 38.643 38.487 -0.281 0.000 0.979 337 N HN 0.225 nan 8.380 nan 0.000 0.451 338 N N 1.437 119.855 118.700 -0.469 0.000 2.790 338 N HA 0.153 4.893 4.740 -0.000 0.000 0.256 338 N C -2.108 173.271 175.510 -0.218 0.000 1.409 338 N CA -0.824 51.991 53.050 -0.391 0.000 0.799 338 N CB 2.124 40.198 38.487 -0.688 0.000 1.170 338 N HN 0.086 nan 8.380 nan 0.000 0.507 339 P HA -0.057 nan 4.420 nan 0.000 0.231 339 P C 0.399 177.671 177.300 -0.047 0.000 1.158 339 P CA 0.461 63.510 63.100 -0.085 0.000 0.763 339 P CB 0.362 32.014 31.700 -0.080 0.000 0.805 340 A N 0.928 123.729 122.820 -0.033 0.000 2.371 340 A HA 0.153 4.473 4.320 -0.000 0.000 0.257 340 A C 0.421 177.979 177.584 -0.044 0.000 1.089 340 A CA -0.549 51.471 52.037 -0.029 0.000 0.794 340 A CB -0.287 18.705 19.000 -0.015 0.000 1.029 340 A HN 0.161 nan 8.150 nan 0.000 0.488 341 N N 1.573 120.203 118.700 -0.116 0.000 2.442 341 N HA 0.331 5.071 4.740 -0.000 0.000 0.265 341 N C -1.290 173.999 175.510 -0.367 0.000 1.138 341 N CA -0.064 52.843 53.050 -0.239 0.000 0.956 341 N CB 0.525 38.841 38.487 -0.285 0.000 1.067 341 N HN 0.282 nan 8.380 nan 0.000 0.474 342 V N 4.879 124.529 119.914 -0.440 0.000 2.531 342 V HA 0.409 4.529 4.120 -0.000 0.000 0.301 342 V C -0.655 175.060 176.094 -0.632 0.000 1.034 342 V CA -0.729 61.262 62.300 -0.515 0.000 0.865 342 V CB 1.025 32.497 31.823 -0.584 0.000 0.995 342 V HN 0.469 nan 8.190 nan 0.000 0.424 343 F N 2.653 122.444 119.950 -0.264 0.000 2.384 343 F HA 0.680 5.206 4.527 -0.000 0.000 0.338 343 F C 0.943 176.518 175.800 -0.376 0.000 1.103 343 F CA -0.466 57.378 58.000 -0.259 0.000 1.157 343 F CB 1.060 39.967 39.000 -0.155 0.000 1.167 343 F HN 0.572 nan 8.300 nan 0.000 0.529 344 A N 2.452 125.112 122.820 -0.265 0.000 2.462 344 A HA 0.199 4.519 4.320 -0.000 0.000 0.243 344 A C 0.052 177.530 177.584 -0.178 0.000 1.076 344 A CA -0.563 51.258 52.037 -0.361 0.000 0.773 344 A CB -0.132 18.485 19.000 -0.638 0.000 1.010 344 A HN 0.689 nan 8.150 nan 0.000 0.493 345 N N 1.696 120.337 118.700 -0.099 0.000 2.482 345 N HA 0.195 4.935 4.740 -0.000 0.000 0.242 345 N C 0.081 175.610 175.510 0.031 0.000 1.100 345 N CA 0.105 53.154 53.050 -0.002 0.000 0.946 345 N CB 0.869 39.393 38.487 0.061 0.000 1.227 345 N HN 0.712 nan 8.380 nan 0.000 0.508 346 Q N -0.359 119.454 119.800 0.021 0.000 2.158 346 Q HA 0.333 4.673 4.340 -0.000 0.000 0.306 346 Q C 0.270 176.357 176.000 0.144 0.000 0.878 346 Q CA -0.379 55.477 55.803 0.089 0.000 1.136 346 Q CB 0.253 28.987 28.738 -0.007 0.000 1.253 346 Q HN 0.072 nan 8.270 nan 0.000 0.441 347 S N 1.080 116.840 115.700 0.100 0.000 2.370 347 S HA -0.119 4.351 4.470 -0.000 0.000 0.226 347 S C 1.746 176.362 174.600 0.027 0.000 1.033 347 S CA 1.702 59.935 58.200 0.055 0.000 1.011 347 S CB -0.255 62.970 63.200 0.042 0.000 0.852 347 S HN 0.771 nan 8.310 nan 0.000 0.457 348 G N -0.337 108.471 108.800 0.014 0.000 2.708 348 G HA2 0.089 4.049 3.960 -0.000 0.000 0.210 348 G HA3 0.089 4.049 3.960 -0.000 0.000 0.210 348 G C 0.093 174.691 174.900 -0.503 0.000 1.141 348 G CA 0.169 45.137 45.100 -0.221 0.000 0.788 348 G HN 0.335 nan 8.290 nan 0.000 0.531 349 F N -0.165 119.697 119.950 -0.147 0.000 2.492 349 F HA 0.453 4.980 4.527 -0.000 0.000 0.327 349 F C 0.953 176.673 175.800 -0.133 0.000 1.079 349 F CA -1.005 56.903 58.000 -0.153 0.000 0.967 349 F CB 2.375 41.274 39.000 -0.168 0.000 1.169 349 F HN -0.047 nan 8.300 nan 0.000 0.472 350 S N -1.634 114.059 115.700 -0.012 0.000 2.754 350 S HA 0.189 4.659 4.470 -0.000 0.000 0.247 350 S C 0.216 174.623 174.600 -0.321 0.000 1.031 350 S CA -0.064 58.077 58.200 -0.097 0.000 1.014 350 S CB -0.753 62.403 63.200 -0.073 0.000 0.918 350 S HN 0.676 nan 8.310 nan 0.000 0.519 351 T N -0.879 113.428 114.554 -0.412 0.000 2.946 351 T HA 0.696 5.046 4.350 -0.000 0.000 0.295 351 T C 0.881 175.395 174.700 -0.310 0.000 1.143 351 T CA -0.213 61.316 62.100 -0.952 0.000 0.944 351 T CB -0.342 68.119 68.868 -0.679 0.000 1.800 351 T HN 0.359 nan 8.240 nan 0.000 0.590 352 G N 0.329 109.125 108.800 -0.006 0.000 2.353 352 G HA2 0.247 4.207 3.960 -0.000 0.000 0.239 352 G HA3 0.247 4.207 3.960 -0.000 0.000 0.239 352 G C 0.608 175.452 174.900 -0.093 0.000 1.295 352 G CA -0.381 44.613 45.100 -0.177 0.000 0.884 352 G HN 0.689 nan 8.290 nan 0.000 0.537 353 E N 1.440 121.498 120.200 -0.236 0.000 2.060 353 E HA -0.071 4.279 4.350 -0.000 0.000 0.189 353 E C 0.240 176.877 176.600 0.062 0.000 0.974 353 E CA 0.314 56.682 56.400 -0.054 0.000 0.808 353 E CB -0.131 29.520 29.700 -0.081 0.000 0.768 353 E HN 0.589 nan 8.360 nan 0.000 0.453 354 Y N -0.316 119.809 120.300 -0.291 0.000 3.108 354 Y HA -0.240 4.310 4.550 -0.000 0.000 0.208 354 Y C 0.050 175.980 175.900 0.051 0.000 1.245 354 Y CA 0.345 58.111 58.100 -0.556 0.000 1.171 354 Y CB -2.107 35.929 38.460 -0.706 0.000 1.331 354 Y HN 0.008 nan 8.280 nan 0.000 0.534 355 A N 0.875 123.869 122.820 0.290 0.000 2.807 355 A HA 0.420 4.740 4.320 -0.000 0.000 0.307 355 A C 0.755 178.627 177.584 0.480 0.000 1.532 355 A CA 0.280 52.535 52.037 0.362 0.000 1.215 355 A CB -0.068 19.004 19.000 0.120 0.000 1.127 355 A HN 0.419 nan 8.150 nan 0.000 0.543 356 T N 1.302 116.220 114.554 0.607 0.000 2.928 356 T HA 0.164 4.514 4.350 -0.000 0.000 0.305 356 T C 1.536 176.480 174.700 0.408 0.000 1.035 356 T CA 0.369 62.760 62.100 0.485 0.000 1.145 356 T CB 0.248 69.376 68.868 0.433 0.000 0.963 356 T HN 1.301 nan 8.240 nan 0.000 0.545 357 V N 2.755 122.830 119.914 0.268 0.000 2.759 357 V HA 0.182 4.302 4.120 -0.000 0.000 0.256 357 V C 0.963 177.229 176.094 0.286 0.000 1.080 357 V CA 1.447 63.930 62.300 0.305 0.000 1.101 357 V CB -0.632 31.272 31.823 0.135 0.000 0.698 357 V HN 0.769 nan 8.190 nan 0.000 0.477 358 S N 0.149 115.949 115.700 0.167 0.000 2.588 358 S HA 0.533 5.002 4.470 -0.000 0.000 0.275 358 S C -0.234 174.416 174.600 0.084 0.000 1.130 358 S CA 0.006 58.253 58.200 0.078 0.000 0.855 358 S CB 2.026 65.256 63.200 0.050 0.000 1.116 358 S HN 0.682 nan 8.310 nan 0.000 0.472 359 D N 1.745 122.169 120.400 0.041 0.000 2.431 359 D HA 0.296 4.936 4.640 -0.000 0.000 0.213 359 D C 1.386 177.757 176.300 0.118 0.000 1.130 359 D CA 0.328 54.381 54.000 0.088 0.000 0.834 359 D CB -0.044 40.785 40.800 0.049 0.000 0.985 359 D HN 0.412 nan 8.370 nan 0.000 0.504 360 A N 2.134 125.017 122.820 0.105 0.000 1.877 360 A HA -0.226 4.094 4.320 -0.000 0.000 0.216 360 A C 1.899 179.656 177.584 0.288 0.000 1.186 360 A CA 1.943 54.066 52.037 0.143 0.000 0.620 360 A CB -0.564 18.468 19.000 0.054 0.000 0.822 360 A HN 0.410 nan 8.150 nan 0.000 0.443 361 D N 0.250 120.843 120.400 0.323 0.000 2.144 361 D HA -0.178 4.461 4.640 -0.000 0.000 0.200 361 D C 0.983 177.436 176.300 0.254 0.000 0.978 361 D CA 1.614 55.792 54.000 0.296 0.000 0.833 361 D CB -0.844 40.089 40.800 0.221 0.000 0.961 361 D HN 0.478 nan 8.370 nan 0.000 0.470 362 D N 0.683 121.247 120.400 0.272 0.000 2.117 362 D HA -0.081 4.559 4.640 -0.000 0.000 0.197 362 D C 2.304 178.790 176.300 0.309 0.000 0.987 362 D CA 0.981 55.187 54.000 0.344 0.000 0.829 362 D CB -0.087 40.891 40.800 0.297 0.000 0.961 362 D HN 0.181 nan 8.370 nan 0.000 0.460 363 R N -0.036 120.607 120.500 0.238 0.000 2.092 363 R HA -0.000 4.340 4.340 -0.000 0.000 0.231 363 R C 2.319 178.761 176.300 0.237 0.000 1.119 363 R CA 0.440 56.666 56.100 0.209 0.000 0.970 363 R CB -0.365 30.026 30.300 0.151 0.000 0.864 363 R HN 0.222 nan 8.270 nan 0.000 0.440 364 L N -0.081 121.279 121.223 0.229 0.000 2.093 364 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 364 L C 2.134 179.227 176.870 0.372 0.000 1.085 364 L CA 1.355 56.312 54.840 0.195 0.000 0.755 364 L CB -0.284 41.774 42.059 -0.001 0.000 0.904 364 L HN 0.251 nan 8.230 nan 0.000 0.435 365 W N 0.702 122.090 121.300 0.147 0.000 2.381 365 W HA -0.134 4.526 4.660 -0.000 0.000 0.301 365 W C 2.370 178.995 176.519 0.177 0.000 1.205 365 W CA 1.692 59.128 57.345 0.153 0.000 1.285 365 W CB -0.771 28.755 29.460 0.111 0.000 1.133 365 W HN 0.262 nan 8.180 nan 0.000 0.521 366 A N 0.724 123.593 122.820 0.081 0.000 1.940 366 A HA -0.034 4.286 4.320 -0.000 0.000 0.219 366 A C 2.185 179.797 177.584 0.047 0.000 1.176 366 A CA 2.826 54.828 52.037 -0.057 0.000 0.631 366 A CB -1.415 17.641 19.000 0.093 0.000 0.814 366 A HN 0.359 nan 8.150 nan 0.000 0.446 367 A N -0.257 122.705 122.820 0.236 0.000 1.898 367 A HA 0.200 4.520 4.320 -0.000 0.000 0.216 367 A C 2.492 180.235 177.584 0.266 0.000 1.181 367 A CA 1.959 54.168 52.037 0.286 0.000 0.620 367 A CB -0.947 18.298 19.000 0.409 0.000 0.819 367 A HN 1.033 nan 8.150 nan 0.000 0.442 368 A N -0.344 122.669 122.820 0.321 0.000 1.898 368 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 368 A C 1.922 179.593 177.584 0.145 0.000 1.181 368 A CA 1.674 53.824 52.037 0.188 0.000 0.620 368 A CB -0.364 18.690 19.000 0.090 0.000 0.819 368 A HN 0.434 nan 8.150 nan 0.000 0.442 369 E N -0.508 119.705 120.200 0.022 0.000 2.107 369 E HA -0.110 4.240 4.350 -0.000 0.000 0.191 369 E C 2.037 178.529 176.600 -0.179 0.000 0.982 369 E CA 0.846 57.191 56.400 -0.092 0.000 0.809 369 E CB -0.426 29.130 29.700 -0.239 0.000 0.756 369 E HN 0.497 nan 8.360 nan 0.000 0.459 370 M N -0.764 118.671 119.600 -0.276 0.000 2.117 370 M HA -0.139 4.341 4.480 -0.000 0.000 0.262 370 M C 2.097 178.172 176.300 -0.375 0.000 1.065 370 M CA 0.969 55.926 55.300 -0.571 0.000 1.114 370 M CB -1.067 30.829 32.600 -1.174 0.000 1.361 370 M HN 0.238 nan 8.290 nan 0.000 0.408 371 W N 1.800 122.967 121.300 -0.221 0.000 2.355 371 W HA -0.221 4.439 4.660 -0.000 0.000 0.309 371 W C 2.333 178.835 176.519 -0.029 0.000 1.206 371 W CA 2.128 59.480 57.345 0.011 0.000 1.284 371 W CB -0.536 28.978 29.460 0.091 0.000 1.145 371 W HN 0.311 nan 8.180 nan 0.000 0.502 372 E N -0.478 119.542 120.200 -0.299 0.000 2.118 372 E HA -0.181 4.169 4.350 -0.000 0.000 0.195 372 E C 2.057 178.436 176.600 -0.370 0.000 0.992 372 E CA 2.637 58.747 56.400 -0.483 0.000 0.804 372 E CB -0.625 28.940 29.700 -0.226 0.000 0.741 372 E HN 0.186 nan 8.360 nan 0.000 0.458 373 T N 0.050 114.448 114.554 -0.259 0.000 2.809 373 T HA 0.036 4.386 4.350 -0.000 0.000 0.260 373 T C 1.750 176.339 174.700 -0.185 0.000 1.039 373 T CA 1.234 63.209 62.100 -0.208 0.000 1.141 373 T CB -0.081 68.670 68.868 -0.194 0.000 0.869 373 T HN 0.102 nan 8.240 nan 0.000 0.437 374 L N -0.408 120.712 121.223 -0.170 0.000 2.253 374 L HA 0.308 4.648 4.340 -0.000 0.000 0.205 374 L C 2.327 179.181 176.870 -0.026 0.000 1.078 374 L CA 0.763 55.568 54.840 -0.058 0.000 0.805 374 L CB -0.328 41.755 42.059 0.041 0.000 0.963 374 L HN 0.534 nan 8.230 nan 0.000 0.459 375 G N -0.392 108.364 108.800 -0.073 0.000 2.234 375 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.235 375 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.235 375 G C -0.050 175.005 174.900 0.258 0.000 0.997 375 G CA 0.069 45.127 45.100 -0.071 0.000 0.623 375 G HN 0.349 nan 8.290 nan 0.000 0.514 376 D N 1.220 121.807 120.400 0.311 0.000 2.525 376 D HA 0.445 5.085 4.640 -0.000 0.000 0.235 376 D C 1.557 177.983 176.300 0.210 0.000 1.137 376 D CA 1.032 55.132 54.000 0.166 0.000 0.868 376 D CB 0.440 41.152 40.800 -0.147 0.000 1.180 376 D HN 0.641 nan 8.370 nan 0.000 0.465 377 E N 2.148 122.403 120.200 0.093 0.000 2.204 377 E HA -0.236 4.114 4.350 -0.000 0.000 0.195 377 E C 1.668 178.255 176.600 -0.021 0.000 0.990 377 E CA 1.600 58.037 56.400 0.061 0.000 0.821 377 E CB -0.664 29.056 29.700 0.032 0.000 0.750 377 E HN 0.741 nan 8.360 nan 0.000 0.477 378 E N -1.088 119.030 120.200 -0.137 0.000 2.058 378 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 378 E C 1.912 178.462 176.600 -0.084 0.000 0.997 378 E CA 1.599 57.887 56.400 -0.186 0.000 0.801 378 E CB -0.299 29.176 29.700 -0.374 0.000 0.746 378 E HN 0.707 nan 8.360 nan 0.000 0.450 379 Y N 0.183 120.554 120.300 0.117 0.000 2.263 379 Y HA -0.113 4.437 4.550 -0.000 0.000 0.292 379 Y C 2.200 178.152 175.900 0.087 0.000 1.130 379 Y CA 0.751 58.923 58.100 0.120 0.000 1.179 379 Y CB -0.730 37.804 38.460 0.124 0.000 0.998 379 Y HN 0.163 nan 8.280 nan 0.000 0.532 380 L N 0.899 122.143 121.223 0.035 0.000 2.046 380 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 380 L C 2.578 179.377 176.870 -0.117 0.000 1.077 380 L CA 2.327 56.919 54.840 -0.413 0.000 0.747 380 L CB -0.946 40.648 42.059 -0.775 0.000 0.896 380 L HN 0.137 nan 8.230 nan 0.000 0.432 381 R N -0.346 120.131 120.500 -0.038 0.000 2.075 381 R HA -0.177 4.163 4.340 -0.000 0.000 0.232 381 R C 2.024 178.340 176.300 0.026 0.000 1.126 381 R CA 1.697 57.791 56.100 -0.011 0.000 0.963 381 R CB -1.895 28.400 30.300 -0.007 0.000 0.858 381 R HN 0.622 nan 8.270 nan 0.000 0.435 382 D N -0.671 119.787 120.400 0.098 0.000 2.097 382 D HA -0.142 4.498 4.640 -0.000 0.000 0.195 382 D C 1.673 178.031 176.300 0.097 0.000 0.989 382 D CA 1.445 55.526 54.000 0.135 0.000 0.827 382 D CB -0.339 40.633 40.800 0.288 0.000 0.966 382 D HN 0.423 nan 8.370 nan 0.000 0.456 383 F N 1.484 121.444 119.950 0.016 0.000 2.069 383 F HA -0.103 4.424 4.527 -0.000 0.000 0.298 383 F C 2.230 177.940 175.800 -0.150 0.000 1.113 383 F CA 1.796 59.763 58.000 -0.055 0.000 1.214 383 F CB -0.309 38.638 39.000 -0.089 0.000 0.978 383 F HN -0.035 nan 8.300 nan 0.000 0.474 384 E N 0.013 120.113 120.200 -0.167 0.000 2.110 384 E HA -0.240 4.110 4.350 -0.000 0.000 0.193 384 E C 2.150 178.608 176.600 -0.237 0.000 0.988 384 E CA 1.130 57.374 56.400 -0.260 0.000 0.804 384 E CB -0.713 28.942 29.700 -0.075 0.000 0.745 384 E HN 0.712 nan 8.360 nan 0.000 0.458 385 N N 1.648 120.261 118.700 -0.146 0.000 2.120 385 N HA -0.176 4.564 4.740 -0.000 0.000 0.188 385 N C 1.878 177.318 175.510 -0.117 0.000 1.024 385 N CA 1.375 54.365 53.050 -0.100 0.000 0.852 385 N CB -0.554 37.902 38.487 -0.052 0.000 1.003 385 N HN 0.097 nan 8.380 nan 0.000 0.424 386 R N -0.046 120.362 120.500 -0.153 0.000 2.090 386 R HA 0.187 4.527 4.340 -0.000 0.000 0.228 386 R C 2.879 179.141 176.300 -0.063 0.000 1.110 386 R CA 1.079 57.131 56.100 -0.081 0.000 0.973 386 R CB -0.260 30.014 30.300 -0.044 0.000 0.869 386 R HN 0.499 nan 8.270 nan 0.000 0.440 387 A N 1.595 124.165 122.820 -0.416 0.000 1.940 387 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 387 A C 2.374 179.892 177.584 -0.109 0.000 1.176 387 A CA 1.732 53.499 52.037 -0.449 0.000 0.631 387 A CB -0.618 17.828 19.000 -0.924 0.000 0.814 387 A HN 0.385 nan 8.150 nan 0.000 0.446 388 A N -1.498 121.250 122.820 -0.120 0.000 2.019 388 A HA 0.069 4.389 4.320 -0.000 0.000 0.219 388 A C 2.283 179.857 177.584 -0.017 0.000 1.164 388 A CA 2.182 54.186 52.037 -0.055 0.000 0.644 388 A CB -0.919 18.042 19.000 -0.065 0.000 0.805 388 A HN 0.873 nan 8.150 nan 0.000 0.449 389 Q N -1.398 118.396 119.800 -0.011 0.000 2.436 389 Q HA 0.221 4.561 4.340 -0.000 0.000 0.209 389 Q C 0.355 176.253 176.000 -0.170 0.000 0.965 389 Q CA 0.461 56.209 55.803 -0.092 0.000 0.910 389 Q CB -0.809 27.842 28.738 -0.145 0.000 0.980 389 Q HN 0.626 nan 8.270 nan 0.000 0.491 390 F N 0.495 120.376 119.950 -0.115 0.000 2.421 390 F HA 0.521 5.048 4.527 -0.000 0.000 0.358 390 F C 1.787 177.541 175.800 -0.077 0.000 1.115 390 F CA -0.165 57.777 58.000 -0.098 0.000 1.160 390 F CB 1.088 40.017 39.000 -0.118 0.000 1.123 390 F HN 0.238 nan 8.300 nan 0.000 0.508 391 S N 3.281 118.992 115.700 0.020 0.000 2.343 391 S HA 0.005 4.475 4.470 -0.000 0.000 0.219 391 S C 1.402 176.027 174.600 0.042 0.000 1.033 391 S CA 1.751 59.958 58.200 0.011 0.000 1.014 391 S CB -0.516 62.672 63.200 -0.021 0.000 0.915 391 S HN 0.529 nan 8.310 nan 0.000 0.435 392 K N 2.115 122.551 120.400 0.060 0.000 2.263 392 K HA 0.544 4.864 4.320 -0.000 0.000 0.272 392 K C 0.607 177.243 176.600 0.060 0.000 1.033 392 K CA -0.652 55.663 56.287 0.047 0.000 0.884 392 K CB 0.643 33.161 32.500 0.031 0.000 1.107 392 K HN 0.271 nan 8.250 nan 0.000 0.460 393 K N 0.730 121.145 120.400 0.026 0.000 2.097 393 K HA 0.059 4.379 4.320 -0.000 0.000 0.205 393 K C 0.560 177.101 176.600 -0.099 0.000 1.050 393 K CA 0.908 57.178 56.287 -0.028 0.000 0.938 393 K CB 0.020 32.510 32.500 -0.016 0.000 0.718 393 K HN 0.641 nan 8.250 nan 0.000 0.442 394 I N 1.838 122.364 120.570 -0.072 0.000 2.465 394 I HA 0.211 4.381 4.170 -0.000 0.000 0.291 394 I C -0.159 175.902 176.117 -0.094 0.000 1.014 394 I CA -0.631 60.593 61.300 -0.127 0.000 1.093 394 I CB 2.032 39.992 38.000 -0.067 0.000 1.267 394 I HN -0.062 nan 8.210 nan 0.000 0.431 395 E N 3.607 123.718 120.200 -0.147 0.000 2.179 395 E HA 0.456 4.806 4.350 -0.000 0.000 0.275 395 E C 0.318 176.914 176.600 -0.008 0.000 0.945 395 E CA -0.404 55.961 56.400 -0.059 0.000 0.792 395 E CB 2.656 32.330 29.700 -0.043 0.000 1.125 395 E HN 0.698 nan 8.360 nan 0.000 0.397 396 A N 2.806 125.661 122.820 0.059 0.000 2.016 396 A HA -0.080 4.239 4.320 -0.000 0.000 0.217 396 A C 0.724 178.435 177.584 0.212 0.000 1.162 396 A CA 0.867 52.974 52.037 0.116 0.000 0.662 396 A CB 0.203 19.247 19.000 0.073 0.000 0.812 396 A HN 0.410 nan 8.150 nan 0.000 0.450 397 D N -0.351 120.165 120.400 0.193 0.000 2.453 397 D HA 0.507 5.147 4.640 -0.000 0.000 0.238 397 D C -1.191 175.249 176.300 0.233 0.000 1.088 397 D CA -0.416 53.695 54.000 0.185 0.000 0.854 397 D CB 0.616 41.483 40.800 0.113 0.000 1.076 397 D HN 0.174 nan 8.370 nan 0.000 0.533 398 F N 1.542 121.473 119.950 -0.031 0.000 2.645 398 F HA 0.749 5.276 4.527 -0.000 0.000 0.310 398 F C -1.071 174.690 175.800 -0.065 0.000 1.102 398 F CA -0.920 57.029 58.000 -0.085 0.000 0.952 398 F CB 1.680 40.616 39.000 -0.107 0.000 1.326 398 F HN 0.063 nan 8.300 nan 0.000 0.456 399 D N 0.712 121.009 120.400 -0.171 0.000 3.145 399 D HA 0.142 4.782 4.640 -0.000 0.000 0.345 399 D C 0.595 176.816 176.300 -0.132 0.000 1.391 399 D CA -0.008 53.865 54.000 -0.212 0.000 0.930 399 D CB 0.344 41.017 40.800 -0.212 0.000 1.451 399 D HN 0.756 nan 8.370 nan 0.000 0.555 400 W N 0.451 121.756 121.300 0.007 0.000 2.341 400 W HA -0.140 4.520 4.660 -0.000 0.000 0.283 400 W C 0.829 177.384 176.519 0.060 0.000 1.215 400 W CA 1.586 58.945 57.345 0.024 0.000 1.211 400 W CB -0.833 28.635 29.460 0.013 0.000 1.131 400 W HN 0.318 nan 8.180 nan 0.000 0.552 401 D N 1.183 121.231 120.400 -0.588 0.000 2.234 401 D HA -0.140 4.500 4.640 -0.000 0.000 0.205 401 D C 0.242 176.463 176.300 -0.132 0.000 0.962 401 D CA 0.851 54.580 54.000 -0.451 0.000 0.855 401 D CB -0.222 40.036 40.800 -0.903 0.000 0.951 401 D HN -0.034 nan 8.370 nan 0.000 0.500 402 N N -0.183 118.453 118.700 -0.106 0.000 2.682 402 N HA 0.073 4.813 4.740 -0.000 0.000 0.252 402 N C -0.070 175.457 175.510 0.028 0.000 1.081 402 N CA -0.436 52.611 53.050 -0.006 0.000 0.844 402 N CB 1.581 40.063 38.487 -0.010 0.000 1.167 402 N HN -0.041 nan 8.380 nan 0.000 0.523 403 V N 1.148 121.066 119.914 0.007 0.000 3.514 403 V HA 0.430 4.550 4.120 -0.000 0.000 0.301 403 V C 1.687 177.633 176.094 -0.247 0.000 1.346 403 V CA 0.612 62.839 62.300 -0.122 0.000 1.156 403 V CB -0.364 31.356 31.823 -0.172 0.000 1.029 403 V HN 0.426 nan 8.190 nan 0.000 0.428 404 A N 1.521 124.218 122.820 -0.205 0.000 1.940 404 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 404 A C 2.039 179.335 177.584 -0.481 0.000 1.176 404 A CA 2.363 54.197 52.037 -0.338 0.000 0.631 404 A CB -0.811 17.889 19.000 -0.500 0.000 0.814 404 A HN 0.582 nan 8.150 nan 0.000 0.446 405 N N 0.313 118.616 118.700 -0.662 0.000 2.094 405 N HA -0.153 4.587 4.740 -0.000 0.000 0.191 405 N C 1.579 176.354 175.510 -1.226 0.000 1.023 405 N CA 1.591 53.978 53.050 -1.104 0.000 0.857 405 N CB -0.573 36.949 38.487 -1.608 0.000 1.013 405 N HN 0.569 nan 8.380 nan 0.000 0.426 406 L N -0.336 120.395 121.223 -0.821 0.000 2.079 406 L HA -0.096 4.244 4.340 -0.000 0.000 0.210 406 L C 2.392 179.141 176.870 -0.201 0.000 1.081 406 L CA 1.441 55.947 54.840 -0.556 0.000 0.752 406 L CB -0.977 40.522 42.059 -0.933 0.000 0.896 406 L HN 0.232 nan 8.230 nan 0.000 0.433 407 G N -0.365 108.376 108.800 -0.099 0.000 2.402 407 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.216 407 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.216 407 G C 1.617 176.634 174.900 0.194 0.000 1.162 407 G CA 0.344 45.622 45.100 0.295 0.000 0.777 407 G HN 0.074 nan 8.290 nan 0.000 0.539 408 M N 0.302 119.912 119.600 0.017 0.000 2.117 408 M HA 0.084 4.564 4.480 -0.000 0.000 0.262 408 M C 2.327 178.761 176.300 0.225 0.000 1.065 408 M CA 0.781 56.141 55.300 0.100 0.000 1.114 408 M CB -1.280 31.252 32.600 -0.114 0.000 1.361 408 M HN 0.172 nan 8.290 nan 0.000 0.408 409 F N 0.878 120.870 119.950 0.070 0.000 2.102 409 F HA -0.111 4.416 4.527 -0.000 0.000 0.298 409 F C 2.735 178.613 175.800 0.130 0.000 1.105 409 F CA 1.215 59.265 58.000 0.084 0.000 1.239 409 F CB -1.986 37.067 39.000 0.090 0.000 0.991 409 F HN 0.170 nan 8.300 nan 0.000 0.474 410 T N -0.732 114.032 114.554 0.351 0.000 2.746 410 T HA -0.244 4.106 4.350 -0.000 0.000 0.267 410 T C 1.770 176.581 174.700 0.186 0.000 1.039 410 T CA 1.511 63.761 62.100 0.251 0.000 1.142 410 T CB -0.675 68.344 68.868 0.253 0.000 0.866 410 T HN 0.331 nan 8.240 nan 0.000 0.444 411 Y N 1.364 121.663 120.300 -0.003 0.000 2.133 411 Y HA -0.074 4.476 4.550 -0.000 0.000 0.287 411 Y C 2.146 178.092 175.900 0.077 0.000 1.134 411 Y CA 0.950 59.016 58.100 -0.057 0.000 1.133 411 Y CB -0.559 37.558 38.460 -0.572 0.000 0.987 411 Y HN 0.063 nan 8.280 nan 0.000 0.502 412 L N 0.318 121.650 121.223 0.182 0.000 2.042 412 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 412 L C 1.882 178.748 176.870 -0.007 0.000 1.076 412 L CA 1.892 56.782 54.840 0.084 0.000 0.749 412 L CB -0.653 41.520 42.059 0.191 0.000 0.893 412 L HN 0.377 nan 8.230 nan 0.000 0.432 413 L N -1.386 119.851 121.223 0.025 0.000 2.591 413 L HA 0.099 4.439 4.340 -0.000 0.000 0.228 413 L C 1.200 178.045 176.870 -0.041 0.000 1.133 413 L CA -0.166 54.661 54.840 -0.022 0.000 0.880 413 L CB -0.388 41.653 42.059 -0.030 0.000 1.033 413 L HN 0.134 nan 8.230 nan 0.000 0.450 414 S N 0.733 116.404 115.700 -0.048 0.000 2.560 414 S HA 0.124 4.594 4.470 -0.000 0.000 0.284 414 S C 1.129 175.671 174.600 -0.097 0.000 1.327 414 S CA 0.589 58.729 58.200 -0.100 0.000 1.055 414 S CB 1.148 64.264 63.200 -0.139 0.000 0.868 414 S HN 0.413 nan 8.310 nan 0.000 0.506 415 E N 4.236 124.366 120.200 -0.116 0.000 2.463 415 E HA 0.186 4.536 4.350 -0.000 0.000 0.193 415 E C 0.577 177.128 176.600 -0.082 0.000 1.041 415 E CA -0.058 56.291 56.400 -0.084 0.000 0.879 415 E CB -0.084 29.568 29.700 -0.079 0.000 0.997 415 E HN 0.757 nan 8.360 nan 0.000 0.478 416 R N 1.535 121.957 120.500 -0.130 0.000 2.594 416 R HA 0.308 4.648 4.340 -0.000 0.000 0.272 416 R C -2.076 174.281 176.300 0.095 0.000 1.074 416 R CA -1.264 54.780 56.100 -0.092 0.000 1.105 416 R CB 0.648 30.733 30.300 -0.358 0.000 1.008 416 R HN 0.283 nan 8.270 nan 0.000 0.472 417 P HA 0.178 nan 4.420 nan 0.000 0.280 417 P C 0.194 177.620 177.300 0.209 0.000 1.272 417 P CA -0.171 63.005 63.100 0.126 0.000 0.819 417 P CB 1.253 32.999 31.700 0.077 0.000 1.122 418 G N -0.171 108.709 108.800 0.133 0.000 2.218 418 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.216 418 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.216 418 G C 0.064 174.999 174.900 0.057 0.000 0.994 418 G CA -0.300 44.867 45.100 0.112 0.000 0.637 418 G HN 0.575 nan 8.290 nan 0.000 0.505 419 K N 1.041 121.468 120.400 0.044 0.000 2.436 419 K HA 0.208 4.528 4.320 -0.000 0.000 0.275 419 K C 0.273 176.917 176.600 0.073 0.000 0.999 419 K CA -0.252 56.044 56.287 0.016 0.000 0.980 419 K CB 0.420 32.846 32.500 -0.125 0.000 0.919 419 K HN 0.231 nan 8.250 nan 0.000 0.484 420 N N 4.281 123.056 118.700 0.125 0.000 2.431 420 N HA 0.002 4.742 4.740 -0.000 0.000 0.265 420 N C -1.618 173.959 175.510 0.112 0.000 1.184 420 N CA -1.936 51.172 53.050 0.096 0.000 0.943 420 N CB 0.773 39.312 38.487 0.086 0.000 1.080 420 N HN 0.327 nan 8.380 nan 0.000 0.477 421 P HA -0.148 nan 4.420 nan 0.000 0.219 421 P C 0.744 178.088 177.300 0.073 0.000 1.146 421 P CA 1.104 64.244 63.100 0.066 0.000 0.808 421 P CB 0.186 31.913 31.700 0.045 0.000 0.779 422 A N -0.154 122.705 122.820 0.066 0.000 1.929 422 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 422 A C 2.210 179.838 177.584 0.074 0.000 1.176 422 A CA 1.156 53.228 52.037 0.058 0.000 0.628 422 A CB -1.490 17.534 19.000 0.041 0.000 0.816 422 A HN 0.174 nan 8.150 nan 0.000 0.444 423 L N -0.082 121.199 121.223 0.097 0.000 2.056 423 L HA -0.065 4.275 4.340 -0.000 0.000 0.207 423 L C 2.348 179.330 176.870 0.188 0.000 1.078 423 L CA 1.687 56.596 54.840 0.114 0.000 0.749 423 L CB -0.514 41.609 42.059 0.107 0.000 0.901 423 L HN 0.141 nan 8.230 nan 0.000 0.433 424 V N -0.482 119.573 119.914 0.234 0.000 2.295 424 V HA -0.320 3.800 4.120 -0.000 0.000 0.246 424 V C 2.621 178.800 176.094 0.142 0.000 1.049 424 V CA 1.892 64.330 62.300 0.229 0.000 1.024 424 V CB -0.655 31.248 31.823 0.134 0.000 0.648 424 V HN 0.537 nan 8.190 nan 0.000 0.447 425 Q N -0.037 119.823 119.800 0.101 0.000 2.124 425 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 425 Q C 2.432 178.475 176.000 0.072 0.000 0.977 425 Q CA 2.144 57.991 55.803 0.074 0.000 0.850 425 Q CB -0.593 28.179 28.738 0.057 0.000 0.901 425 Q HN 0.565 nan 8.270 nan 0.000 0.429 426 S N -0.993 114.753 115.700 0.076 0.000 2.368 426 S HA -0.052 4.418 4.470 -0.000 0.000 0.224 426 S C 1.777 176.416 174.600 0.066 0.000 1.029 426 S CA 1.155 59.392 58.200 0.061 0.000 0.988 426 S CB -0.242 62.988 63.200 0.050 0.000 0.838 426 S HN 0.490 nan 8.310 nan 0.000 0.462 427 I N 1.114 121.741 120.570 0.094 0.000 2.252 427 I HA -0.140 4.030 4.170 -0.000 0.000 0.245 427 I C 2.560 178.732 176.117 0.092 0.000 1.102 427 I CA 1.228 62.588 61.300 0.099 0.000 1.385 427 I CB -0.292 37.810 38.000 0.171 0.000 1.064 427 I HN 0.298 nan 8.210 nan 0.000 0.414 428 K N 1.001 121.459 120.400 0.096 0.000 2.026 428 K HA -0.228 4.092 4.320 -0.000 0.000 0.208 428 K C 1.696 178.331 176.600 0.059 0.000 1.048 428 K CA 1.964 58.296 56.287 0.075 0.000 0.929 428 K CB -0.021 32.521 32.500 0.070 0.000 0.713 428 K HN 0.194 nan 8.250 nan 0.000 0.439 429 D N -0.116 120.318 120.400 0.057 0.000 2.117 429 D HA -0.142 4.498 4.640 -0.000 0.000 0.197 429 D C 1.959 178.285 176.300 0.043 0.000 0.987 429 D CA 1.097 55.127 54.000 0.049 0.000 0.829 429 D CB -0.405 40.422 40.800 0.045 0.000 0.961 429 D HN 0.163 nan 8.370 nan 0.000 0.460 430 S N -0.145 115.579 115.700 0.040 0.000 2.368 430 S HA -0.135 4.335 4.470 -0.000 0.000 0.225 430 S C 1.885 176.500 174.600 0.025 0.000 1.030 430 S CA 0.608 58.826 58.200 0.030 0.000 0.999 430 S CB -0.291 62.923 63.200 0.023 0.000 0.844 430 S HN 0.168 nan 8.310 nan 0.000 0.459 431 L N 1.594 122.837 121.223 0.032 0.000 1.994 431 L HA 0.037 4.377 4.340 -0.000 0.000 0.208 431 L C 2.146 179.004 176.870 -0.019 0.000 1.071 431 L CA 1.803 56.655 54.840 0.021 0.000 0.745 431 L CB -0.588 41.498 42.059 0.044 0.000 0.892 431 L HN 0.381 nan 8.230 nan 0.000 0.431 432 L N -1.236 119.989 121.223 0.003 0.000 2.093 432 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 432 L C 2.713 179.613 176.870 0.051 0.000 1.085 432 L CA 1.333 56.185 54.840 0.021 0.000 0.755 432 L CB -0.852 41.260 42.059 0.088 0.000 0.904 432 L HN 0.396 nan 8.230 nan 0.000 0.435 433 S N -0.625 115.102 115.700 0.046 0.000 2.368 433 S HA -0.179 4.291 4.470 -0.000 0.000 0.225 433 S C 2.005 176.630 174.600 0.042 0.000 1.030 433 S CA 2.037 60.267 58.200 0.051 0.000 0.999 433 S CB -0.165 63.060 63.200 0.042 0.000 0.844 433 S HN 0.413 nan 8.310 nan 0.000 0.459 434 T N 1.899 116.466 114.554 0.021 0.000 2.777 434 T HA 0.105 4.455 4.350 -0.000 0.000 0.266 434 T C 2.097 176.801 174.700 0.006 0.000 1.040 434 T CA 1.219 63.329 62.100 0.016 0.000 1.141 434 T CB -0.670 68.203 68.868 0.008 0.000 0.868 434 T HN 0.518 nan 8.240 nan 0.000 0.444 435 A N 1.934 124.723 122.820 -0.052 0.000 1.933 435 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 435 A C 2.084 179.703 177.584 0.059 0.000 1.175 435 A CA 1.701 53.661 52.037 -0.129 0.000 0.628 435 A CB -0.612 18.063 19.000 -0.542 0.000 0.814 435 A HN 0.330 nan 8.150 nan 0.000 0.444 436 D N 0.085 120.567 120.400 0.136 0.000 2.117 436 D HA -0.071 4.569 4.640 -0.000 0.000 0.197 436 D C 2.525 178.897 176.300 0.121 0.000 0.987 436 D CA 1.675 55.792 54.000 0.195 0.000 0.829 436 D CB -0.504 40.391 40.800 0.159 0.000 0.961 436 D HN 0.512 nan 8.370 nan 0.000 0.460 437 S N 0.597 116.346 115.700 0.082 0.000 2.368 437 S HA -0.112 4.358 4.470 -0.000 0.000 0.225 437 S C 2.141 176.778 174.600 0.062 0.000 1.030 437 S CA 0.985 59.224 58.200 0.064 0.000 0.999 437 S CB -0.563 62.666 63.200 0.049 0.000 0.844 437 S HN 0.140 nan 8.310 nan 0.000 0.459 438 I N 1.019 121.625 120.570 0.060 0.000 2.286 438 I HA -0.162 4.008 4.170 -0.000 0.000 0.248 438 I C 2.223 178.382 176.117 0.069 0.000 1.115 438 I CA 0.614 61.945 61.300 0.051 0.000 1.392 438 I CB -0.243 37.785 38.000 0.045 0.000 1.065 438 I HN 0.223 nan 8.210 nan 0.000 0.418 439 V N 1.113 121.093 119.914 0.109 0.000 2.261 439 V HA -0.328 3.792 4.120 -0.000 0.000 0.246 439 V C 3.179 179.322 176.094 0.082 0.000 1.047 439 V CA 2.637 65.008 62.300 0.119 0.000 1.015 439 V CB -1.222 30.703 31.823 0.170 0.000 0.642 439 V HN 0.521 nan 8.190 nan 0.000 0.446 440 R N -0.212 120.334 120.500 0.078 0.000 2.105 440 R HA -0.221 4.119 4.340 -0.000 0.000 0.239 440 R C 2.228 178.563 176.300 0.060 0.000 1.135 440 R CA 2.334 58.472 56.100 0.063 0.000 0.967 440 R CB -1.941 28.395 30.300 0.060 0.000 0.861 440 R HN 0.612 nan 8.270 nan 0.000 0.442 441 T N 0.765 115.352 114.554 0.056 0.000 2.777 441 T HA -0.180 4.170 4.350 -0.000 0.000 0.266 441 T C 2.373 177.110 174.700 0.061 0.000 1.040 441 T CA 2.066 64.198 62.100 0.053 0.000 1.141 441 T CB -0.302 68.583 68.868 0.028 0.000 0.868 441 T HN 0.755 nan 8.240 nan 0.000 0.444 442 S N 1.710 117.434 115.700 0.040 0.000 2.406 442 S HA -0.091 4.379 4.470 -0.000 0.000 0.228 442 S C 2.020 176.663 174.600 0.072 0.000 1.020 442 S CA 0.626 58.849 58.200 0.038 0.000 0.965 442 S CB -0.469 62.740 63.200 0.015 0.000 0.798 442 S HN 0.498 nan 8.310 nan 0.000 0.488 443 Q N 1.000 120.837 119.800 0.061 0.000 2.230 443 Q HA 0.116 4.456 4.340 -0.000 0.000 0.202 443 Q C 1.103 177.134 176.000 0.051 0.000 0.963 443 Q CA 0.817 56.649 55.803 0.050 0.000 0.866 443 Q CB -0.157 28.606 28.738 0.041 0.000 0.931 443 Q HN 0.553 nan 8.270 nan 0.000 0.452 444 N N -0.263 118.477 118.700 0.067 0.000 2.236 444 N HA -0.014 4.725 4.740 -0.000 0.000 0.196 444 N C -0.583 174.969 175.510 0.070 0.000 1.114 444 N CA 0.170 53.254 53.050 0.058 0.000 0.859 444 N CB 0.391 38.911 38.487 0.056 0.000 0.982 444 N HN 0.235 nan 8.380 nan 0.000 0.493 445 H N -0.949 118.124 119.070 0.005 0.000 2.473 445 H HA 0.361 4.917 4.556 -0.000 0.000 0.327 445 H C 1.486 176.815 175.328 0.002 0.000 1.105 445 H CA -0.181 55.876 56.048 0.014 0.000 1.280 445 H CB 1.201 30.973 29.762 0.017 0.000 1.450 445 H HN 0.046 nan 8.280 nan 0.000 0.492 446 G N 2.683 111.285 108.800 -0.330 0.000 2.535 446 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.218 446 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.218 446 G C 0.033 174.761 174.900 -0.286 0.000 1.122 446 G CA 0.678 45.600 45.100 -0.297 0.000 0.769 446 G HN 0.671 nan 8.290 nan 0.000 0.549 447 Y N -1.093 119.384 120.300 0.295 0.000 2.738 447 Y HA 0.374 4.924 4.550 -0.000 0.000 0.249 447 Y C 1.671 177.766 175.900 0.324 0.000 1.157 447 Y CA -0.532 57.786 58.100 0.363 0.000 1.189 447 Y CB 0.726 39.471 38.460 0.474 0.000 1.262 447 Y HN 0.162 nan 8.280 nan 0.000 0.554 448 G N 1.519 110.532 108.800 0.354 0.000 2.179 448 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.257 448 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.257 448 G C 0.366 175.233 174.900 -0.056 0.000 1.010 448 G CA 0.176 45.362 45.100 0.143 0.000 0.736 448 G HN 0.383 nan 8.290 nan 0.000 0.513 449 R N 0.664 120.926 120.500 -0.397 0.000 2.351 449 R HA 0.346 4.686 4.340 -0.000 0.000 0.318 449 R C 2.214 178.221 176.300 -0.488 0.000 1.055 449 R CA 0.643 56.249 56.100 -0.823 0.000 0.968 449 R CB 0.193 29.589 30.300 -1.507 0.000 0.974 449 R HN 0.362 nan 8.270 nan 0.000 0.439 450 T N 1.979 116.352 114.554 -0.301 0.000 2.915 450 T HA -0.160 4.190 4.350 -0.000 0.000 0.269 450 T C 1.420 176.020 174.700 -0.167 0.000 1.071 450 T CA 0.492 62.495 62.100 -0.160 0.000 1.132 450 T CB 0.022 68.839 68.868 -0.086 0.000 0.878 450 T HN 0.454 nan 8.240 nan 0.000 0.479 451 L N 1.329 122.393 121.223 -0.264 0.000 2.612 451 L HA 0.429 4.769 4.340 -0.000 0.000 0.230 451 L C 1.525 178.251 176.870 -0.240 0.000 1.140 451 L CA 0.620 55.316 54.840 -0.240 0.000 0.896 451 L CB -1.166 40.703 42.059 -0.316 0.000 1.065 451 L HN 0.604 nan 8.230 nan 0.000 0.447 452 G N -0.078 108.571 108.800 -0.252 0.000 2.622 452 G HA2 -0.482 3.478 3.960 -0.000 0.000 0.307 452 G HA3 -0.482 3.478 3.960 -0.000 0.000 0.307 452 G C 0.823 175.703 174.900 -0.034 0.000 1.226 452 G CA 0.790 45.836 45.100 -0.091 0.000 0.997 452 G HN 0.528 nan 8.290 nan 0.000 0.551 453 T N -1.847 112.756 114.554 0.081 0.000 3.122 453 T HA 0.449 4.799 4.350 -0.000 0.000 0.250 453 T C 0.839 175.637 174.700 0.163 0.000 1.067 453 T CA 1.226 63.449 62.100 0.204 0.000 0.966 453 T CB 0.094 69.086 68.868 0.207 0.000 1.002 453 T HN 0.696 nan 8.240 nan 0.000 0.542 454 T N 3.036 117.543 114.554 -0.078 0.000 2.737 454 T HA 0.425 4.775 4.350 -0.000 0.000 0.296 454 T C -1.224 173.248 174.700 -0.380 0.000 0.922 454 T CA -0.047 62.011 62.100 -0.070 0.000 1.079 454 T CB -0.078 68.773 68.868 -0.030 0.000 0.892 454 T HN 0.313 nan 8.240 nan 0.000 0.514 455 Y N 2.856 123.168 120.300 0.020 0.000 2.425 455 Y HA 0.606 5.156 4.550 -0.000 0.000 0.344 455 Y C -0.277 175.675 175.900 0.085 0.000 0.969 455 Y CA -1.199 56.881 58.100 -0.034 0.000 1.052 455 Y CB 1.599 40.120 38.460 0.100 0.000 1.215 455 Y HN 0.741 nan 8.280 nan 0.000 0.451 456 Y N -1.096 119.242 120.300 0.063 0.000 2.741 456 Y HA 0.378 4.928 4.550 -0.000 0.000 0.339 456 Y C -1.393 174.138 175.900 -0.615 0.000 1.226 456 Y CA -2.481 55.409 58.100 -0.351 0.000 1.072 456 Y CB 0.464 38.763 38.460 -0.268 0.000 1.331 456 Y HN 0.621 nan 8.280 nan 0.000 0.453 457 W N 3.394 124.041 121.300 -1.089 0.000 2.417 457 W HA 0.401 5.061 4.660 -0.000 0.000 0.332 457 W C 1.046 177.549 176.519 -0.026 0.000 1.413 457 W CA 1.895 58.903 57.345 -0.561 0.000 1.299 457 W CB 0.005 29.236 29.460 -0.381 0.000 1.304 457 W HN 1.405 nan 8.180 nan 0.000 0.565 458 G N 3.625 112.576 108.800 0.251 0.000 2.143 458 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.249 458 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.249 458 G C 1.115 175.774 174.900 -0.402 0.000 0.981 458 G CA 0.461 45.425 45.100 -0.228 0.000 0.665 458 G HN 1.273 nan 8.290 nan 0.000 0.528 459 C N -1.169 117.822 119.300 -0.516 0.000 2.437 459 C HA 0.127 4.587 4.460 -0.000 0.000 0.283 459 C C 2.160 176.832 174.990 -0.529 0.000 1.424 459 C CA 1.333 59.883 59.018 -0.780 0.000 1.782 459 C CB -1.457 25.622 27.740 -1.102 0.000 1.833 459 C HN 0.618 nan 8.230 nan 0.000 0.532 460 N N 1.668 120.057 118.700 -0.518 0.000 2.166 460 N HA -0.013 4.727 4.740 -0.000 0.000 0.186 460 N C 2.091 177.417 175.510 -0.308 0.000 1.019 460 N CA 1.275 54.094 53.050 -0.384 0.000 0.856 460 N CB -0.338 37.877 38.487 -0.454 0.000 0.993 460 N HN 0.720 nan 8.380 nan 0.000 0.426 461 G N 0.338 108.898 108.800 -0.400 0.000 2.422 461 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.218 461 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.218 461 G C 1.511 176.357 174.900 -0.090 0.000 1.146 461 G CA 1.129 46.155 45.100 -0.123 0.000 0.769 461 G HN 0.230 nan 8.290 nan 0.000 0.547 462 T N 0.852 115.314 114.554 -0.152 0.000 2.867 462 T HA -0.062 4.288 4.350 -0.000 0.000 0.268 462 T C 2.511 177.123 174.700 -0.147 0.000 1.057 462 T CA 0.916 62.923 62.100 -0.154 0.000 1.136 462 T CB -0.177 68.627 68.868 -0.107 0.000 0.874 462 T HN 0.057 nan 8.240 nan 0.000 0.466 463 V N 2.311 122.120 119.914 -0.175 0.000 2.252 463 V HA -0.195 3.925 4.120 -0.000 0.000 0.249 463 V C 2.818 178.866 176.094 -0.077 0.000 1.056 463 V CA 2.165 64.379 62.300 -0.145 0.000 1.022 463 V CB -0.855 30.885 31.823 -0.138 0.000 0.641 463 V HN 0.552 nan 8.190 nan 0.000 0.445 464 V N -1.427 118.451 119.914 -0.061 0.000 2.871 464 V HA -0.050 4.070 4.120 -0.000 0.000 0.256 464 V C 2.306 178.422 176.094 0.037 0.000 1.082 464 V CA 1.786 64.082 62.300 -0.006 0.000 1.105 464 V CB -0.938 30.878 31.823 -0.011 0.000 0.713 464 V HN 0.437 nan 8.190 nan 0.000 0.473 465 R N 0.148 120.633 120.500 -0.025 0.000 2.189 465 R HA -0.044 4.296 4.340 -0.000 0.000 0.218 465 R C 2.298 178.608 176.300 0.018 0.000 1.074 465 R CA 1.145 57.204 56.100 -0.069 0.000 0.991 465 R CB -0.202 29.923 30.300 -0.292 0.000 0.883 465 R HN 0.632 nan 8.270 nan 0.000 0.457 466 Q N -0.479 119.348 119.800 0.045 0.000 2.437 466 Q HA -0.103 4.237 4.340 -0.000 0.000 0.210 466 Q C 1.633 177.714 176.000 0.135 0.000 0.972 466 Q CA 1.686 57.570 55.803 0.135 0.000 0.903 466 Q CB 0.160 28.942 28.738 0.074 0.000 0.967 466 Q HN 0.489 nan 8.270 nan 0.000 0.486 467 T N -1.856 112.781 114.554 0.139 0.000 2.929 467 T HA -0.111 4.238 4.350 -0.000 0.000 0.271 467 T C 1.752 176.587 174.700 0.225 0.000 1.085 467 T CA 0.804 63.025 62.100 0.203 0.000 1.125 467 T CB -0.121 68.919 68.868 0.286 0.000 0.874 467 T HN 0.187 nan 8.240 nan 0.000 0.494 468 M N 0.394 120.032 119.600 0.064 0.000 2.175 468 M HA 0.115 4.595 4.480 -0.000 0.000 0.264 468 M C 2.278 178.478 176.300 -0.166 0.000 1.063 468 M CA 1.531 56.716 55.300 -0.193 0.000 1.119 468 M CB -0.583 31.853 32.600 -0.272 0.000 1.377 468 M HN 0.239 nan 8.290 nan 0.000 0.415 469 I N 0.384 120.967 120.570 0.021 0.000 2.202 469 I HA -0.277 3.893 4.170 -0.000 0.000 0.242 469 I C 2.277 178.311 176.117 -0.138 0.000 1.091 469 I CA 1.239 62.527 61.300 -0.020 0.000 1.368 469 I CB -0.350 37.713 38.000 0.105 0.000 1.058 469 I HN 0.256 nan 8.210 nan 0.000 0.410 470 L N -0.101 121.084 121.223 -0.064 0.000 2.046 470 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 470 L C 2.709 179.551 176.870 -0.048 0.000 1.077 470 L CA 1.172 55.956 54.840 -0.094 0.000 0.747 470 L CB -0.644 41.449 42.059 0.056 0.000 0.896 470 L HN 0.314 nan 8.230 nan 0.000 0.432 471 Q N -0.474 119.353 119.800 0.046 0.000 2.123 471 Q HA -0.102 4.238 4.340 -0.000 0.000 0.199 471 Q C 2.427 178.376 176.000 -0.085 0.000 0.966 471 Q CA 1.193 57.050 55.803 0.089 0.000 0.845 471 Q CB -0.228 28.707 28.738 0.328 0.000 0.907 471 Q HN 0.390 nan 8.270 nan 0.000 0.439 472 V N 1.078 120.843 119.914 -0.250 0.000 2.453 472 V HA -0.171 3.949 4.120 -0.000 0.000 0.247 472 V C 2.342 178.288 176.094 -0.246 0.000 1.048 472 V CA 1.520 63.585 62.300 -0.392 0.000 1.049 472 V CB -0.871 30.534 31.823 -0.697 0.000 0.672 472 V HN 0.280 nan 8.190 nan 0.000 0.457 473 A N 0.192 122.858 122.820 -0.257 0.000 1.933 473 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 473 A C 2.187 179.739 177.584 -0.054 0.000 1.175 473 A CA 1.994 53.867 52.037 -0.274 0.000 0.628 473 A CB -0.810 17.770 19.000 -0.700 0.000 0.814 473 A HN 0.613 nan 8.150 nan 0.000 0.444 474 N N -0.337 118.391 118.700 0.047 0.000 2.244 474 N HA -0.146 4.594 4.740 -0.000 0.000 0.183 474 N C 1.602 177.172 175.510 0.100 0.000 1.016 474 N CA 1.255 54.448 53.050 0.239 0.000 0.866 474 N CB -0.115 38.516 38.487 0.240 0.000 0.980 474 N HN 0.517 nan 8.380 nan 0.000 0.430 475 K N -0.022 120.374 120.400 -0.006 0.000 2.155 475 K HA -0.037 4.283 4.320 -0.000 0.000 0.203 475 K C 1.724 178.308 176.600 -0.027 0.000 1.052 475 K CA 0.657 56.914 56.287 -0.049 0.000 0.948 475 K CB 0.162 32.566 32.500 -0.159 0.000 0.728 475 K HN 0.120 nan 8.250 nan 0.000 0.448 476 I N -0.193 120.367 120.570 -0.017 0.000 2.584 476 I HA -0.084 4.086 4.170 -0.000 0.000 0.255 476 I C 0.651 176.797 176.117 0.048 0.000 1.145 476 I CA 0.734 62.037 61.300 0.005 0.000 1.462 476 I CB 0.631 38.630 38.000 -0.001 0.000 1.102 476 I HN -0.149 nan 8.210 nan 0.000 0.433 477 S N 0.760 116.520 115.700 0.099 0.000 2.413 477 S HA 0.401 4.871 4.470 -0.000 0.000 0.170 477 S C -2.690 172.008 174.600 0.164 0.000 1.294 477 S CA -1.254 57.022 58.200 0.126 0.000 1.201 477 S CB 0.207 63.504 63.200 0.162 0.000 1.328 477 S HN -0.213 nan 8.310 nan 0.000 0.418 478 P HA 0.109 nan 4.420 nan 0.000 0.261 478 P C -0.767 176.546 177.300 0.022 0.000 1.165 478 P CA 0.622 63.776 63.100 0.089 0.000 0.759 478 P CB 0.084 31.817 31.700 0.055 0.000 0.772 479 N N 2.413 121.101 118.700 -0.020 0.000 2.600 479 N HA 0.118 4.858 4.740 -0.000 0.000 0.272 479 N C 0.234 175.664 175.510 -0.133 0.000 1.095 479 N CA -0.492 52.426 53.050 -0.220 0.000 0.993 479 N CB 0.484 38.548 38.487 -0.704 0.000 1.603 479 N HN 0.022 nan 8.380 nan 0.000 0.526 480 N N 1.497 120.170 118.700 -0.044 0.000 2.520 480 N HA -0.063 4.677 4.740 -0.000 0.000 0.185 480 N C 0.449 175.991 175.510 0.053 0.000 1.068 480 N CA 0.816 53.907 53.050 0.067 0.000 0.911 480 N CB 0.235 38.774 38.487 0.087 0.000 0.961 480 N HN 0.519 nan 8.380 nan 0.000 0.446 481 D N -0.786 119.569 120.400 -0.076 0.000 2.178 481 D HA -0.133 4.507 4.640 -0.000 0.000 0.202 481 D C 1.211 177.567 176.300 0.093 0.000 0.974 481 D CA 0.894 54.872 54.000 -0.037 0.000 0.841 481 D CB -0.076 40.648 40.800 -0.127 0.000 0.953 481 D HN 0.352 nan 8.370 nan 0.000 0.478 482 Y N 0.710 121.057 120.300 0.077 0.000 2.163 482 Y HA -0.095 4.454 4.550 -0.000 0.000 0.288 482 Y C 2.591 178.546 175.900 0.093 0.000 1.136 482 Y CA 0.049 58.195 58.100 0.076 0.000 1.147 482 Y CB -1.014 37.488 38.460 0.069 0.000 0.987 482 Y HN -0.150 nan 8.280 nan 0.000 0.509 483 V N 0.460 120.536 119.914 0.269 0.000 2.427 483 V HA -0.235 3.885 4.120 -0.000 0.000 0.248 483 V C 1.998 178.159 176.094 0.110 0.000 1.051 483 V CA 1.747 64.173 62.300 0.211 0.000 1.048 483 V CB -0.546 31.417 31.823 0.234 0.000 0.666 483 V HN 0.405 nan 8.190 nan 0.000 0.456 484 N N 0.714 119.488 118.700 0.123 0.000 2.216 484 N HA -0.055 4.685 4.740 -0.000 0.000 0.183 484 N C 1.908 177.451 175.510 0.055 0.000 1.017 484 N CA 1.530 54.625 53.050 0.075 0.000 0.861 484 N CB -0.315 38.236 38.487 0.106 0.000 0.986 484 N HN 0.491 nan 8.380 nan 0.000 0.428 485 A N 0.970 123.848 122.820 0.096 0.000 1.930 485 A HA 0.075 4.395 4.320 -0.000 0.000 0.217 485 A C 2.335 179.959 177.584 0.068 0.000 1.175 485 A CA 1.645 53.733 52.037 0.085 0.000 0.627 485 A CB -0.596 18.479 19.000 0.124 0.000 0.815 485 A HN 0.293 nan 8.150 nan 0.000 0.443 486 A N -0.664 122.214 122.820 0.098 0.000 1.930 486 A HA 0.019 4.339 4.320 -0.000 0.000 0.217 486 A C 1.886 179.476 177.584 0.010 0.000 1.175 486 A CA 1.464 53.565 52.037 0.108 0.000 0.627 486 A CB -0.365 18.769 19.000 0.224 0.000 0.815 486 A HN 0.370 nan 8.150 nan 0.000 0.443 487 L N -0.019 121.155 121.223 -0.081 0.000 2.291 487 L HA -0.070 4.270 4.340 -0.000 0.000 0.214 487 L C 1.586 178.408 176.870 -0.081 0.000 1.120 487 L CA 1.507 56.224 54.840 -0.205 0.000 0.799 487 L CB -1.291 40.607 42.059 -0.269 0.000 0.925 487 L HN 0.321 nan 8.230 nan 0.000 0.446 488 D N -0.169 120.219 120.400 -0.020 0.000 2.117 488 D HA -0.084 4.556 4.640 -0.000 0.000 0.198 488 D C 2.230 178.541 176.300 0.017 0.000 0.982 488 D CA 1.373 55.383 54.000 0.016 0.000 0.828 488 D CB 0.229 41.044 40.800 0.024 0.000 0.967 488 D HN 0.225 nan 8.370 nan 0.000 0.464 489 A N 0.735 123.551 122.820 -0.007 0.000 1.877 489 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 489 A C 2.387 179.950 177.584 -0.034 0.000 1.186 489 A CA 1.036 53.062 52.037 -0.018 0.000 0.620 489 A CB -0.774 18.217 19.000 -0.015 0.000 0.822 489 A HN 0.208 nan 8.150 nan 0.000 0.443 490 I N -0.208 120.320 120.570 -0.071 0.000 2.226 490 I HA -0.216 3.954 4.170 -0.000 0.000 0.245 490 I C 2.603 178.692 176.117 -0.047 0.000 1.100 490 I CA 1.446 62.673 61.300 -0.120 0.000 1.374 490 I CB -0.246 37.610 38.000 -0.241 0.000 1.057 490 I HN 0.219 nan 8.210 nan 0.000 0.413 491 S N -0.808 114.887 115.700 -0.010 0.000 2.402 491 S HA -0.224 4.246 4.470 -0.000 0.000 0.229 491 S C 1.997 176.601 174.600 0.007 0.000 1.021 491 S CA 0.911 59.129 58.200 0.030 0.000 0.974 491 S CB -0.528 62.697 63.200 0.041 0.000 0.800 491 S HN 0.498 nan 8.310 nan 0.000 0.484 492 H N 0.499 119.521 119.070 -0.081 0.000 2.387 492 H HA -0.012 4.544 4.556 -0.000 0.000 0.299 492 H C 1.857 176.998 175.328 -0.311 0.000 1.099 492 H CA 1.444 57.425 56.048 -0.112 0.000 1.315 492 H CB -0.023 29.686 29.762 -0.087 0.000 1.380 492 H HN 0.208 nan 8.280 nan 0.000 0.513 493 V N 0.404 120.063 119.914 -0.425 0.000 3.129 493 V HA -0.134 3.986 4.120 -0.000 0.000 0.259 493 V C 1.066 176.673 176.094 -0.811 0.000 1.116 493 V CA 0.928 62.812 62.300 -0.693 0.000 1.127 493 V CB -0.458 31.060 31.823 -0.508 0.000 0.742 493 V HN 0.247 nan 8.190 nan 0.000 0.474 494 F N -0.231 119.529 119.950 -0.316 0.000 2.653 494 F HA 0.531 5.058 4.527 -0.000 0.000 0.304 494 F C 1.554 177.241 175.800 -0.189 0.000 1.092 494 F CA 0.443 58.315 58.000 -0.213 0.000 1.279 494 F CB 0.837 39.764 39.000 -0.121 0.000 1.044 494 F HN 0.158 nan 8.300 nan 0.000 0.564 495 G N -0.229 108.493 108.800 -0.130 0.000 3.382 495 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.214 495 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.214 495 G C 0.642 175.533 174.900 -0.016 0.000 1.025 495 G CA -0.770 44.302 45.100 -0.046 0.000 0.869 495 G HN 0.085 nan 8.290 nan 0.000 0.458 496 R N 1.792 122.295 120.500 0.004 0.000 3.688 496 R HA 0.398 4.738 4.340 -0.000 0.000 0.194 496 R C -0.090 176.302 176.300 0.153 0.000 1.677 496 R CA 0.660 56.858 56.100 0.163 0.000 1.351 496 R CB -0.922 29.500 30.300 0.204 0.000 1.338 496 R HN 0.641 nan 8.270 nan 0.000 0.731 497 N N -0.616 118.088 118.700 0.006 0.000 2.825 497 N HA -0.050 4.689 4.740 -0.000 0.000 0.253 497 N C -0.081 175.186 175.510 -0.405 0.000 1.426 497 N CA -0.901 51.967 53.050 -0.304 0.000 0.851 497 N CB 0.103 38.307 38.487 -0.473 0.000 1.470 497 N HN 0.014 nan 8.380 nan 0.000 0.517 498 Y N -0.067 119.765 120.300 -0.779 0.000 2.241 498 Y HA -0.190 4.360 4.550 -0.000 0.000 0.286 498 Y C 0.541 176.251 175.900 -0.315 0.000 1.166 498 Y CA 1.629 59.350 58.100 -0.632 0.000 1.203 498 Y CB -0.141 37.918 38.460 -0.668 0.000 0.977 498 Y HN 0.642 nan 8.280 nan 0.000 0.529 499 Y N -0.396 119.924 120.300 0.033 0.000 2.544 499 Y HA 0.064 4.614 4.550 -0.000 0.000 0.286 499 Y C 1.272 177.205 175.900 0.054 0.000 1.141 499 Y CA 0.530 58.677 58.100 0.079 0.000 1.299 499 Y CB -0.504 38.194 38.460 0.398 0.000 1.030 499 Y HN 0.119 nan 8.280 nan 0.000 0.543 500 N N 1.348 120.145 118.700 0.162 0.000 2.725 500 N HA -0.243 4.497 4.740 -0.000 0.000 0.251 500 N C -1.031 174.604 175.510 0.209 0.000 1.031 500 N CA 0.475 53.624 53.050 0.166 0.000 0.720 500 N CB -0.823 37.771 38.487 0.178 0.000 0.930 500 N HN 0.439 nan 8.380 nan 0.000 0.543 501 R N -0.433 120.187 120.500 0.201 0.000 2.698 501 R HA 0.415 4.755 4.340 -0.000 0.000 0.275 501 R C -0.549 175.760 176.300 0.014 0.000 1.001 501 R CA -0.721 55.509 56.100 0.216 0.000 0.896 501 R CB 1.671 32.242 30.300 0.451 0.000 1.218 501 R HN 0.213 nan 8.270 nan 0.000 0.462 502 S N 0.988 116.731 115.700 0.072 0.000 2.565 502 S HA 0.139 4.609 4.470 -0.000 0.000 0.276 502 S C 0.040 174.670 174.600 0.049 0.000 1.326 502 S CA -0.301 57.904 58.200 0.008 0.000 1.045 502 S CB 0.368 63.685 63.200 0.195 0.000 0.918 502 S HN 0.547 nan 8.310 nan 0.000 0.505 503 Y N 3.200 123.359 120.300 -0.236 0.000 2.493 503 Y HA 0.353 4.903 4.550 -0.000 0.000 0.275 503 Y C 0.110 175.882 175.900 -0.215 0.000 1.183 503 Y CA -0.687 57.176 58.100 -0.395 0.000 1.258 503 Y CB -0.370 37.745 38.460 -0.574 0.000 1.108 503 Y HN 0.337 nan 8.280 nan 0.000 0.521 504 V N 0.929 120.881 119.914 0.062 0.000 2.444 504 V HA 0.244 4.364 4.120 -0.000 0.000 0.294 504 V C 0.261 176.442 176.094 0.145 0.000 1.022 504 V CA -1.388 60.968 62.300 0.092 0.000 0.850 504 V CB 1.401 33.294 31.823 0.117 0.000 0.992 504 V HN 0.327 nan 8.190 nan 0.000 0.426 505 T N 1.142 115.779 114.554 0.139 0.000 2.934 505 T HA 0.400 4.750 4.350 -0.000 0.000 0.306 505 T C 1.316 176.063 174.700 0.078 0.000 1.042 505 T CA 0.635 62.819 62.100 0.140 0.000 1.145 505 T CB 0.840 69.814 68.868 0.177 0.000 0.982 505 T HN 2.047 nan 8.240 nan 0.000 0.544 506 G N 2.233 111.118 108.800 0.141 0.000 2.162 506 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.260 506 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.260 506 G C -0.114 174.937 174.900 0.253 0.000 0.976 506 G CA 0.310 45.533 45.100 0.206 0.000 0.655 506 G HN 0.923 nan 8.290 nan 0.000 0.533 507 L N -0.887 120.457 121.223 0.201 0.000 2.422 507 L HA 0.685 5.025 4.340 -0.000 0.000 0.264 507 L C 1.020 178.001 176.870 0.185 0.000 0.984 507 L CA -0.286 54.670 54.840 0.192 0.000 0.819 507 L CB 1.967 44.156 42.059 0.217 0.000 1.330 507 L HN 1.240 nan 8.230 nan 0.000 0.410 508 G N 2.059 110.924 108.800 0.108 0.000 2.645 508 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.239 508 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.239 508 G C -0.585 174.377 174.900 0.104 0.000 1.331 508 G CA -0.150 45.010 45.100 0.099 0.000 0.890 508 G HN 0.752 nan 8.290 nan 0.000 0.572 509 I N 1.632 122.263 120.570 0.102 0.000 2.471 509 I HA 0.286 4.456 4.170 -0.000 0.000 0.286 509 I C 1.222 177.409 176.117 0.116 0.000 1.079 509 I CA 0.577 61.923 61.300 0.078 0.000 1.398 509 I CB 0.014 38.056 38.000 0.069 0.000 1.403 509 I HN 0.907 nan 8.210 nan 0.000 0.530 510 N N 6.912 125.673 118.700 0.101 0.000 2.669 510 N HA -0.109 4.630 4.740 -0.000 0.000 0.266 510 N C -2.382 173.248 175.510 0.199 0.000 1.024 510 N CA -0.414 52.719 53.050 0.138 0.000 0.766 510 N CB -0.203 38.367 38.487 0.138 0.000 0.898 510 N HN 0.382 nan 8.380 nan 0.000 0.548 511 P HA 0.222 nan 4.420 nan 0.000 0.274 511 P C -2.640 174.823 177.300 0.271 0.000 1.256 511 P CA -0.988 62.255 63.100 0.238 0.000 0.795 511 P CB 0.096 31.919 31.700 0.206 0.000 1.038 512 P HA 0.094 nan 4.420 nan 0.000 0.262 512 P C 0.784 178.208 177.300 0.207 0.000 1.182 512 P CA 0.657 63.959 63.100 0.337 0.000 0.761 512 P CB 0.001 31.924 31.700 0.372 0.000 0.795 513 M N 1.380 121.061 119.600 0.135 0.000 2.491 513 M HA 0.103 4.582 4.480 -0.000 0.000 0.259 513 M C 0.024 176.333 176.300 0.016 0.000 1.163 513 M CA 1.015 56.361 55.300 0.077 0.000 1.109 513 M CB -0.148 32.483 32.600 0.051 0.000 1.353 513 M HN 0.258 nan 8.290 nan 0.000 0.500 514 N N 1.539 120.250 118.700 0.020 0.000 2.696 514 N HA 0.274 5.014 4.740 -0.000 0.000 0.308 514 N C -2.703 172.834 175.510 0.046 0.000 1.915 514 N CA -0.829 52.213 53.050 -0.013 0.000 0.906 514 N CB 1.216 39.657 38.487 -0.076 0.000 1.284 514 N HN 0.171 nan 8.380 nan 0.000 0.488 515 P HA -0.008 nan 4.420 nan 0.000 0.274 515 P C -0.301 177.087 177.300 0.146 0.000 1.231 515 P CA -0.001 63.187 63.100 0.147 0.000 0.790 515 P CB 0.907 32.700 31.700 0.154 0.000 0.951 516 H N 1.240 120.380 119.070 0.117 0.000 3.224 516 H HA 0.238 4.794 4.556 -0.000 0.000 0.265 516 H C -0.878 174.504 175.328 0.090 0.000 1.461 516 H CA 0.439 56.589 56.048 0.170 0.000 1.509 516 H CB -0.958 28.914 29.762 0.182 0.000 1.686 516 H HN 0.258 nan 8.280 nan 0.000 0.514 517 D N 2.349 122.698 120.400 -0.085 0.000 2.855 517 D HA 0.186 4.826 4.640 -0.000 0.000 0.241 517 D C 0.607 176.654 176.300 -0.422 0.000 1.277 517 D CA -0.705 53.129 54.000 -0.278 0.000 0.918 517 D CB 1.114 41.797 40.800 -0.196 0.000 1.462 517 D HN 0.416 nan 8.370 nan 0.000 0.559 518 R N 1.900 121.895 120.500 -0.842 0.000 2.092 518 R HA -0.014 4.326 4.340 -0.000 0.000 0.231 518 R C 1.753 177.783 176.300 -0.451 0.000 1.119 518 R CA 1.079 56.591 56.100 -0.980 0.000 0.970 518 R CB 0.094 29.647 30.300 -1.245 0.000 0.864 518 R HN 0.396 nan 8.270 nan 0.000 0.440 519 R N -0.061 120.158 120.500 -0.469 0.000 2.081 519 R HA -0.042 4.298 4.340 -0.000 0.000 0.235 519 R C 2.406 178.512 176.300 -0.323 0.000 1.131 519 R CA 1.611 57.380 56.100 -0.552 0.000 0.960 519 R CB -0.179 29.335 30.300 -1.311 0.000 0.856 519 R HN 0.083 nan 8.270 nan 0.000 0.436 520 S N -0.175 115.378 115.700 -0.245 0.000 2.368 520 S HA -0.075 4.395 4.470 -0.000 0.000 0.224 520 S C 1.977 176.647 174.600 0.116 0.000 1.029 520 S CA 1.317 59.575 58.200 0.097 0.000 0.988 520 S CB -0.269 62.994 63.200 0.105 0.000 0.838 520 S HN 0.620 nan 8.310 nan 0.000 0.462 521 G N 0.224 109.093 108.800 0.114 0.000 2.534 521 G HA2 0.190 4.150 3.960 -0.000 0.000 0.217 521 G HA3 0.190 4.150 3.960 -0.000 0.000 0.217 521 G C 1.041 176.042 174.900 0.168 0.000 1.128 521 G CA 0.731 45.945 45.100 0.189 0.000 0.784 521 G HN 0.552 nan 8.290 nan 0.000 0.542 522 A N 0.406 123.303 122.820 0.129 0.000 2.382 522 A HA 0.353 4.673 4.320 -0.000 0.000 0.228 522 A C 0.925 178.580 177.584 0.119 0.000 1.217 522 A CA 0.570 52.672 52.037 0.108 0.000 0.923 522 A CB 0.175 19.215 19.000 0.066 0.000 0.979 522 A HN 0.408 nan 8.150 nan 0.000 0.515 523 D N -1.065 119.440 120.400 0.175 0.000 2.478 523 D HA 0.414 5.054 4.640 -0.000 0.000 0.274 523 D C 0.942 177.353 176.300 0.186 0.000 1.234 523 D CA 0.067 54.204 54.000 0.228 0.000 1.069 523 D CB 0.176 41.221 40.800 0.408 0.000 1.113 523 D HN -0.061 nan 8.370 nan 0.000 0.571 524 G N -0.954 107.952 108.800 0.177 0.000 3.605 524 G HA2 0.339 4.299 3.960 -0.000 0.000 0.277 524 G HA3 0.339 4.299 3.960 -0.000 0.000 0.277 524 G C 0.193 175.192 174.900 0.166 0.000 1.093 524 G CA -0.373 44.817 45.100 0.150 0.000 0.821 524 G HN 0.372 nan 8.290 nan 0.000 0.532 525 I N -0.314 120.369 120.570 0.189 0.000 2.392 525 I HA 0.184 4.354 4.170 -0.000 0.000 0.295 525 I C 1.032 177.294 176.117 0.242 0.000 0.985 525 I CA -1.107 60.306 61.300 0.189 0.000 1.221 525 I CB 1.898 39.964 38.000 0.110 0.000 1.366 525 I HN 0.150 nan 8.210 nan 0.000 0.467 526 W N 4.355 125.718 121.300 0.105 0.000 2.378 526 W HA -0.074 4.585 4.660 -0.000 0.000 0.313 526 W C 0.464 177.079 176.519 0.159 0.000 1.197 526 W CA 0.954 58.367 57.345 0.114 0.000 1.304 526 W CB 0.296 29.804 29.460 0.080 0.000 1.148 526 W HN 0.488 nan 8.180 nan 0.000 0.494 527 E N 1.126 121.512 120.200 0.310 0.000 2.354 527 E HA 0.108 4.458 4.350 -0.000 0.000 0.269 527 E C -1.913 174.884 176.600 0.329 0.000 1.036 527 E CA -1.662 54.911 56.400 0.288 0.000 0.876 527 E CB 0.279 30.198 29.700 0.365 0.000 1.009 527 E HN -0.042 nan 8.360 nan 0.000 0.416 528 P HA 0.020 nan 4.420 nan 0.000 0.275 528 P C -0.611 176.887 177.300 0.330 0.000 1.266 528 P CA -0.483 62.812 63.100 0.325 0.000 0.793 528 P CB 0.453 32.285 31.700 0.219 0.000 1.074 529 W N 1.344 122.640 121.300 -0.007 0.000 2.223 529 W HA 0.176 4.836 4.660 -0.000 0.000 0.334 529 W C -1.554 174.839 176.519 -0.211 0.000 1.334 529 W CA -1.288 55.871 57.345 -0.310 0.000 1.246 529 W CB -1.209 28.225 29.460 -0.044 0.000 1.184 529 W HN 0.328 nan 8.180 nan 0.000 0.563 530 P HA 0.279 nan 4.420 nan 0.000 0.281 530 P C 0.406 177.288 177.300 -0.698 0.000 1.249 530 P CA 0.220 63.001 63.100 -0.531 0.000 0.810 530 P CB 1.538 32.632 31.700 -1.010 0.000 1.008 531 G N 0.462 108.926 108.800 -0.560 0.000 2.131 531 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.223 531 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.223 531 G C -0.795 173.753 174.900 -0.587 0.000 0.990 531 G CA -0.324 44.435 45.100 -0.569 0.000 0.671 531 G HN 0.453 nan 8.290 nan 0.000 0.521 532 Y N -0.954 119.337 120.300 -0.015 0.000 2.352 532 Y HA 0.660 5.210 4.550 -0.000 0.000 0.339 532 Y C 0.335 176.265 175.900 0.051 0.000 0.992 532 Y CA -1.538 56.577 58.100 0.025 0.000 1.100 532 Y CB 1.701 40.188 38.460 0.046 0.000 1.192 532 Y HN 0.184 nan 8.280 nan 0.000 0.458 533 L N 5.675 127.021 121.223 0.204 0.000 2.313 533 L HA 0.491 4.831 4.340 -0.000 0.000 0.282 533 L C -0.139 176.823 176.870 0.154 0.000 1.092 533 L CA -0.543 54.360 54.840 0.106 0.000 0.831 533 L CB 0.144 42.242 42.059 0.065 0.000 1.159 533 L HN 0.496 nan 8.230 nan 0.000 0.442 534 V N 3.358 123.272 119.914 -0.001 0.000 2.881 534 V HA 0.490 4.610 4.120 -0.000 0.000 0.303 534 V C 1.384 177.246 176.094 -0.385 0.000 1.070 534 V CA 0.263 62.536 62.300 -0.044 0.000 1.074 534 V CB 0.547 32.333 31.823 -0.061 0.000 1.012 534 V HN 0.872 nan 8.190 nan 0.000 0.482 535 G N 1.842 110.321 108.800 -0.536 0.000 2.440 535 G HA2 0.353 4.313 3.960 -0.000 0.000 0.218 535 G HA3 0.353 4.313 3.960 -0.000 0.000 0.218 535 G C 1.025 175.470 174.900 -0.758 0.000 1.154 535 G CA 0.802 45.165 45.100 -1.229 0.000 0.767 535 G HN 2.268 nan 8.290 nan 0.000 0.552 536 G N -2.213 106.248 108.800 -0.566 0.000 2.617 536 G HA2 0.473 4.433 3.960 -0.000 0.000 0.686 536 G HA3 0.473 4.433 3.960 -0.000 0.000 0.686 536 G C 0.143 174.986 174.900 -0.094 0.000 1.214 536 G CA -0.286 44.487 45.100 -0.544 0.000 0.796 536 G HN 1.086 nan 8.290 nan 0.000 0.654 537 G N 0.062 108.858 108.800 -0.007 0.000 2.572 537 G HA2 0.796 4.756 3.960 -0.000 0.000 0.261 537 G HA3 0.796 4.756 3.960 -0.000 0.000 0.261 537 G C 0.184 175.289 174.900 0.342 0.000 1.197 537 G CA 0.383 45.572 45.100 0.149 0.000 0.870 537 G HN 1.949 nan 8.290 nan 0.000 0.548 538 W N -0.561 120.734 121.300 -0.009 0.000 3.064 538 W HA 0.343 5.003 4.660 -0.000 0.000 0.328 538 W C -2.601 173.906 176.519 -0.021 0.000 1.210 538 W CA -1.494 55.870 57.345 0.033 0.000 1.178 538 W CB 0.816 30.349 29.460 0.122 0.000 1.416 538 W HN 0.438 nan 8.180 nan 0.000 0.568 539 P HA 0.192 nan 4.420 nan 0.000 0.253 539 P C 0.561 177.945 177.300 0.141 0.000 1.260 539 P CA 0.814 64.136 63.100 0.371 0.000 0.800 539 P CB 0.602 32.499 31.700 0.328 0.000 1.162 540 G N 1.198 109.939 108.800 -0.099 0.000 2.600 540 G HA2 0.431 4.391 3.960 -0.000 0.000 0.303 540 G HA3 0.431 4.391 3.960 -0.000 0.000 0.303 540 G C -2.132 172.296 174.900 -0.786 0.000 1.253 540 G CA -1.519 43.371 45.100 -0.351 0.000 0.974 540 G HN -0.282 nan 8.290 nan 0.000 0.483 541 P HA -0.033 nan 4.420 nan 0.000 0.225 541 P C 0.605 177.635 177.300 -0.449 0.000 1.148 541 P CA 1.074 63.663 63.100 -0.853 0.000 0.779 541 P CB 0.336 31.757 31.700 -0.464 0.000 0.780 542 K N -0.644 119.508 120.400 -0.412 0.000 2.455 542 K HA 0.133 4.453 4.320 -0.000 0.000 0.206 542 K C 0.349 176.961 176.600 0.021 0.000 1.027 542 K CA -0.149 55.959 56.287 -0.298 0.000 1.113 542 K CB 0.385 32.573 32.500 -0.520 0.000 0.850 542 K HN -0.056 nan 8.250 nan 0.000 0.503 543 D N 0.387 120.784 120.400 -0.004 0.000 2.340 543 D HA -0.056 4.584 4.640 -0.000 0.000 0.220 543 D C -0.122 176.182 176.300 0.007 0.000 1.039 543 D CA 0.158 54.128 54.000 -0.049 0.000 0.866 543 D CB 0.096 40.788 40.800 -0.180 0.000 0.913 543 D HN 0.217 nan 8.370 nan 0.000 0.523 544 W N 2.649 123.911 121.300 -0.063 0.000 2.266 544 W HA 0.287 4.947 4.660 -0.000 0.000 0.317 544 W C -0.386 176.004 176.519 -0.214 0.000 1.310 544 W CA -1.010 56.179 57.345 -0.260 0.000 1.207 544 W CB 0.529 29.640 29.460 -0.582 0.000 1.199 544 W HN -0.267 nan 8.180 nan 0.000 0.544 545 V N 4.106 123.621 119.914 -0.665 0.000 2.531 545 V HA 0.286 4.406 4.120 -0.000 0.000 0.301 545 V C -0.677 174.919 176.094 -0.830 0.000 1.034 545 V CA -1.006 60.872 62.300 -0.703 0.000 0.865 545 V CB 1.660 33.259 31.823 -0.373 0.000 0.995 545 V HN 0.542 nan 8.190 nan 0.000 0.424 546 D N 5.203 125.056 120.400 -0.912 0.000 2.619 546 D HA 0.385 5.025 4.640 -0.000 0.000 0.224 546 D C -0.044 176.089 176.300 -0.279 0.000 1.133 546 D CA 0.003 53.658 54.000 -0.576 0.000 1.017 546 D CB -0.245 40.193 40.800 -0.603 0.000 1.077 546 D HN 0.806 nan 8.370 nan 0.000 0.503 547 I N -1.990 118.453 120.570 -0.212 0.000 2.730 547 I HA 0.373 4.543 4.170 -0.000 0.000 0.298 547 I C 1.057 177.127 176.117 -0.078 0.000 1.089 547 I CA -1.038 60.175 61.300 -0.145 0.000 1.041 547 I CB 2.114 40.019 38.000 -0.159 0.000 1.235 547 I HN -0.118 nan 8.210 nan 0.000 0.423 548 Q N 1.922 121.678 119.800 -0.073 0.000 2.181 548 Q HA -0.174 4.166 4.340 -0.000 0.000 0.205 548 Q C 0.862 176.893 176.000 0.052 0.000 0.980 548 Q CA 2.159 57.939 55.803 -0.038 0.000 0.862 548 Q CB 0.122 28.773 28.738 -0.146 0.000 0.905 548 Q HN 0.787 nan 8.270 nan 0.000 0.429 549 D N -0.095 120.293 120.400 -0.021 0.000 2.312 549 D HA -0.061 4.579 4.640 -0.000 0.000 0.211 549 D C 0.416 176.689 176.300 -0.044 0.000 0.964 549 D CA 0.433 54.442 54.000 0.015 0.000 0.877 549 D CB 0.070 40.823 40.800 -0.078 0.000 0.924 549 D HN 0.003 nan 8.370 nan 0.000 0.515 550 S N 0.991 116.621 115.700 -0.117 0.000 3.530 550 S HA 0.015 4.484 4.470 -0.000 0.000 0.279 550 S C 0.956 175.363 174.600 -0.322 0.000 1.280 550 S CA -0.706 57.309 58.200 -0.309 0.000 0.946 550 S CB -0.663 62.379 63.200 -0.263 0.000 1.501 550 S HN 0.197 nan 8.310 nan 0.000 0.498 551 Y N 2.458 122.522 120.300 -0.394 0.000 2.561 551 Y HA 0.152 4.702 4.550 -0.000 0.000 0.291 551 Y C 1.666 177.320 175.900 -0.410 0.000 1.141 551 Y CA 0.370 58.156 58.100 -0.523 0.000 1.303 551 Y CB -0.649 37.243 38.460 -0.947 0.000 1.015 551 Y HN 0.475 nan 8.280 nan 0.000 0.547 552 Q N 0.752 119.975 119.800 -0.963 0.000 2.245 552 Q HA -0.020 4.320 4.340 -0.000 0.000 0.201 552 Q C 1.818 177.534 176.000 -0.474 0.000 0.955 552 Q CA 2.112 57.303 55.803 -1.019 0.000 0.870 552 Q CB 0.010 28.211 28.738 -0.896 0.000 0.945 552 Q HN 0.689 nan 8.270 nan 0.000 0.461 553 T N -4.902 109.485 114.554 -0.278 0.000 2.986 553 T HA 0.195 4.545 4.350 -0.000 0.000 0.264 553 T C 0.695 175.451 174.700 0.093 0.000 0.964 553 T CA -0.106 61.968 62.100 -0.044 0.000 0.895 553 T CB 0.115 68.967 68.868 -0.027 0.000 1.163 553 T HN -0.022 nan 8.240 nan 0.000 0.517 554 N N 1.200 119.958 118.700 0.096 0.000 2.433 554 N HA 0.309 5.049 4.740 -0.000 0.000 0.270 554 N C -0.540 175.127 175.510 0.261 0.000 1.354 554 N CA -0.295 52.890 53.050 0.226 0.000 0.889 554 N CB 0.803 39.413 38.487 0.205 0.000 1.285 554 N HN 0.614 nan 8.380 nan 0.000 0.503 555 E N 0.045 120.444 120.200 0.331 0.000 2.292 555 E HA 0.424 4.774 4.350 -0.000 0.000 0.258 555 E C -0.223 176.699 176.600 0.537 0.000 1.115 555 E CA -0.769 55.894 56.400 0.437 0.000 0.929 555 E CB 1.152 31.152 29.700 0.501 0.000 1.161 555 E HN 0.319 nan 8.360 nan 0.000 0.453 556 I N -1.496 119.277 120.570 0.338 0.000 2.863 556 I HA 0.891 5.061 4.170 -0.000 0.000 0.311 556 I C -0.924 175.182 176.117 -0.018 0.000 1.026 556 I CA -0.906 60.553 61.300 0.266 0.000 1.077 556 I CB 2.148 40.111 38.000 -0.062 0.000 1.262 556 I HN 0.489 nan 8.210 nan 0.000 0.461 557 A N 3.665 126.405 122.820 -0.134 0.000 2.594 557 A HA 0.473 4.793 4.320 -0.000 0.000 0.296 557 A C 0.213 177.607 177.584 -0.316 0.000 1.056 557 A CA -0.591 51.136 52.037 -0.517 0.000 0.693 557 A CB 0.841 18.954 19.000 -1.479 0.000 1.278 557 A HN 1.051 nan 8.150 nan 0.000 0.408 558 I N 0.077 120.488 120.570 -0.264 0.000 2.361 558 I HA -0.190 3.980 4.170 -0.000 0.000 0.251 558 I C 1.812 177.838 176.117 -0.150 0.000 1.133 558 I CA 2.098 63.286 61.300 -0.188 0.000 1.413 558 I CB -0.459 37.471 38.000 -0.116 0.000 1.073 558 I HN 0.711 nan 8.210 nan 0.000 0.424 559 N N 0.653 119.221 118.700 -0.221 0.000 2.396 559 N HA -0.194 4.545 4.740 -0.000 0.000 0.180 559 N C 1.398 176.961 175.510 0.088 0.000 1.028 559 N CA 1.132 54.136 53.050 -0.078 0.000 0.893 559 N CB -0.614 37.847 38.487 -0.044 0.000 0.967 559 N HN 0.582 nan 8.380 nan 0.000 0.440 560 W N 1.580 122.902 121.300 0.037 0.000 2.481 560 W HA 0.262 4.922 4.660 -0.000 0.000 0.293 560 W C 1.997 178.522 176.519 0.009 0.000 1.201 560 W CA -0.352 57.006 57.345 0.022 0.000 1.328 560 W CB -1.257 28.224 29.460 0.035 0.000 1.112 560 W HN 0.166 nan 8.180 nan 0.000 0.546 561 N N 0.349 119.169 118.700 0.200 0.000 2.244 561 N HA -0.095 4.644 4.740 -0.000 0.000 0.183 561 N C 1.781 177.323 175.510 0.053 0.000 1.016 561 N CA 1.363 54.469 53.050 0.094 0.000 0.866 561 N CB -0.034 38.470 38.487 0.029 0.000 0.980 561 N HN -0.029 nan 8.380 nan 0.000 0.430 562 A N 1.154 124.001 122.820 0.045 0.000 1.930 562 A HA 0.005 4.325 4.320 -0.000 0.000 0.217 562 A C 2.315 180.003 177.584 0.175 0.000 1.175 562 A CA 1.603 53.690 52.037 0.084 0.000 0.627 562 A CB -0.539 18.505 19.000 0.074 0.000 0.815 562 A HN 0.343 nan 8.150 nan 0.000 0.443 563 A N -0.578 122.335 122.820 0.155 0.000 1.930 563 A HA 0.025 4.345 4.320 -0.000 0.000 0.217 563 A C 2.104 179.798 177.584 0.183 0.000 1.175 563 A CA 1.620 53.751 52.037 0.156 0.000 0.627 563 A CB -0.522 18.532 19.000 0.090 0.000 0.815 563 A HN 0.674 nan 8.150 nan 0.000 0.443 564 L N -0.154 121.153 121.223 0.139 0.000 2.056 564 L HA -0.029 4.311 4.340 -0.000 0.000 0.207 564 L C 2.140 179.116 176.870 0.176 0.000 1.078 564 L CA 1.601 56.507 54.840 0.110 0.000 0.749 564 L CB -0.397 41.693 42.059 0.052 0.000 0.901 564 L HN 0.404 nan 8.230 nan 0.000 0.433 565 I N -1.556 119.129 120.570 0.192 0.000 2.286 565 I HA -0.317 3.853 4.170 -0.000 0.000 0.248 565 I C 2.322 178.678 176.117 0.398 0.000 1.115 565 I CA 1.476 62.936 61.300 0.266 0.000 1.392 565 I CB -0.394 37.722 38.000 0.193 0.000 1.065 565 I HN 0.353 nan 8.210 nan 0.000 0.418 566 Y N 1.599 122.066 120.300 0.279 0.000 2.163 566 Y HA -0.225 4.325 4.550 -0.000 0.000 0.288 566 Y C 2.500 178.529 175.900 0.215 0.000 1.136 566 Y CA 1.269 59.548 58.100 0.299 0.000 1.147 566 Y CB -0.427 38.198 38.460 0.274 0.000 0.987 566 Y HN 0.104 nan 8.280 nan 0.000 0.509 567 A N 0.467 123.515 122.820 0.381 0.000 1.883 567 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 567 A C 2.265 179.915 177.584 0.110 0.000 1.186 567 A CA 2.107 54.294 52.037 0.249 0.000 0.624 567 A CB -1.214 17.895 19.000 0.183 0.000 0.822 567 A HN 0.549 nan 8.150 nan 0.000 0.444 568 L N -0.973 120.331 121.223 0.135 0.000 2.217 568 L HA -0.098 4.242 4.340 -0.000 0.000 0.211 568 L C 3.023 179.876 176.870 -0.029 0.000 1.107 568 L CA 0.685 55.608 54.840 0.137 0.000 0.783 568 L CB -0.543 41.694 42.059 0.297 0.000 0.919 568 L HN 0.437 nan 8.230 nan 0.000 0.442 569 A N 0.709 123.452 122.820 -0.128 0.000 1.908 569 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 569 A C 2.350 179.350 177.584 -0.973 0.000 1.181 569 A CA 1.789 53.513 52.037 -0.521 0.000 0.627 569 A CB -1.221 17.638 19.000 -0.234 0.000 0.818 569 A HN 0.436 nan 8.150 nan 0.000 0.445 570 G N -2.264 105.637 108.800 -1.499 0.000 2.559 570 G HA2 0.022 3.982 3.960 -0.000 0.000 0.216 570 G HA3 0.022 3.982 3.960 -0.000 0.000 0.216 570 G C 0.706 174.670 174.900 -1.560 0.000 1.126 570 G CA 0.709 44.470 45.100 -2.233 0.000 0.778 570 G HN 0.457 nan 8.290 nan 0.000 0.543 571 F N 0.074 119.659 119.950 -0.608 0.000 2.668 571 F HA 0.394 4.921 4.527 -0.000 0.000 0.301 571 F C 0.337 176.029 175.800 -0.180 0.000 1.106 571 F CA -0.895 56.845 58.000 -0.434 0.000 1.289 571 F CB 0.699 39.518 39.000 -0.302 0.000 1.006 571 F HN -0.215 nan 8.300 nan 0.000 0.535 572 V N 1.097 120.893 119.914 -0.198 0.000 2.439 572 V HA 0.219 4.339 4.120 -0.000 0.000 0.282 572 V C 0.204 176.236 176.094 -0.104 0.000 1.039 572 V CA -0.944 61.241 62.300 -0.191 0.000 0.913 572 V CB 1.081 32.586 31.823 -0.532 0.000 0.983 572 V HN 0.400 nan 8.190 nan 0.000 0.460 573 N N 2.421 121.109 118.700 -0.020 0.000 2.725 573 N HA -0.243 4.497 4.740 -0.000 0.000 0.251 573 N C -0.788 174.755 175.510 0.055 0.000 1.031 573 N CA 0.779 53.830 53.050 0.003 0.000 0.720 573 N CB -1.124 37.338 38.487 -0.042 0.000 0.930 573 N HN 0.751 nan 8.380 nan 0.000 0.543 574 Y N 0.216 120.495 120.300 -0.035 0.000 2.352 574 Y HA 0.538 5.087 4.550 -0.000 0.000 0.326 574 Y C 0.645 176.564 175.900 0.033 0.000 1.166 574 Y CA 0.181 58.278 58.100 -0.005 0.000 1.182 574 Y CB 0.594 39.099 38.460 0.074 0.000 1.216 574 Y HN 0.298 nan 8.280 nan 0.000 0.474 575 N N 0.000 118.304 118.700 -0.660 0.000 1.763 575 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 575 N CA 0.000 52.762 53.050 -0.481 0.000 0.885 575 N CB 0.000 38.344 38.487 -0.237 0.000 1.341 575 N HN 0.000 nan 8.380 nan 0.000 0.667