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 1ekm_1_C DATA FIRST_RESID 17 DATA SEQUENCE APARPAHPLD PLSTAEIKAA TNTVKSYFAG KKISFNTVTL REPARKAYIQ DATA SEQUENCE WKEQGGPLPP RLAYYVILEA GKPGVKEGLV DLASLSVIET RALETVQPIL DATA SEQUENCE TVEDLCSTEE VIRNDPAVIE QCVLSGIPAN EMHKVYCDPW TIGYDERWGT DATA SEQUENCE GKRLQQALVY YRSDEDDSQY SHPLDFCPIV DTEEKKVIFI DIPNRRRKVS DATA SEQUENCE KHKHANFYPK HMIEKVGAMR PEAPPINVTQ PEGVSFKMTG NVMEWSNFKF DATA SEQUENCE HIGFNYREGI VLSDVSYNDH GNVRPIFHRI SLSEMIVPYG SPEFPHQRKH DATA SEQUENCE ALDIGEYGAG YMTNPLSLGC DcKGVIHYLD AHFSDRAGDP ITVKNAVcIH DATA SEQUENCE EEDDGLLFKH SDFRDNFATS LVTRATKLVV SQIFTAANYE YCLYWVFMQD DATA SEQUENCE GAIRLDIRLT GILNTYILGD DEEAGPWGTR VYPNVNAHNH QHLFSLRIDP DATA SEQUENCE RIDGDGNSAA ACDAKSSPYP LGSPENMYGN AFYSEKTTFK TVKDSLTNYE DATA SEQUENCE SATGRSWDIF NPNKVNPYSG KPPSYKLVST QCPPLLAKEG SLVAKRAPWA DATA SEQUENCE SHSVNVVPYK DNRLYPSGDH VPQWSGDGVR GMREWIGDGS ENIDNTDILF DATA SEQUENCE FHTFGITHFP APEDFPLMPA EPITLMLRPR HFFTENPGLD IQPSYAMTTS DATA SEQUENCE EAKRAV 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 17 A HA 0.000 nan 4.320 nan 0.000 0.244 17 A C 0.000 177.584 177.584 -0.000 0.000 1.274 17 A CA 0.000 52.038 52.037 0.002 0.000 0.836 17 A CB 0.000 19.003 19.000 0.004 0.000 0.831 18 P HA 0.576 nan 4.420 nan 0.000 0.274 18 P C 0.258 177.559 177.300 0.002 0.000 1.237 18 P CA 0.111 63.210 63.100 -0.003 0.000 0.793 18 P CB 0.980 32.676 31.700 -0.005 0.000 0.977 19 A N 2.587 125.409 122.820 0.003 0.000 2.445 19 A HA 0.206 4.531 4.320 0.009 0.000 0.242 19 A C 0.523 178.114 177.584 0.011 0.000 1.075 19 A CA -0.271 51.771 52.037 0.008 0.000 0.777 19 A CB -0.153 18.853 19.000 0.010 0.000 1.013 19 A HN 0.535 nan 8.150 nan 0.000 0.493 20 R N 1.521 122.028 120.500 0.013 0.000 2.641 20 R HA 0.376 4.721 4.340 0.009 0.000 0.269 20 R C -1.904 174.411 176.300 0.025 0.000 1.074 20 R CA -0.756 55.351 56.100 0.011 0.000 1.133 20 R CB -0.080 30.222 30.300 0.003 0.000 1.029 20 R HN 0.671 nan 8.270 nan 0.000 0.488 21 P HA 0.102 nan 4.420 nan 0.000 0.277 21 P C -0.436 176.911 177.300 0.078 0.000 1.271 21 P CA -0.308 62.828 63.100 0.060 0.000 0.795 21 P CB 0.940 32.684 31.700 0.074 0.000 1.101 22 A N -0.165 122.726 122.820 0.118 0.000 1.929 22 A HA -0.091 4.234 4.320 0.009 0.000 0.216 22 A C 1.086 178.796 177.584 0.209 0.000 1.176 22 A CA 1.368 53.495 52.037 0.149 0.000 0.628 22 A CB -1.108 17.987 19.000 0.158 0.000 0.816 22 A HN 0.800 nan 8.150 nan 0.000 0.444 23 H N -2.256 116.874 119.070 0.101 0.000 2.679 23 H HA 0.426 4.987 4.556 0.009 0.000 0.360 23 H C -2.385 172.913 175.328 -0.051 0.000 1.105 23 H CA -1.962 54.142 56.048 0.093 0.000 1.196 23 H CB 2.061 31.956 29.762 0.222 0.000 1.636 23 H HN -0.104 nan 8.280 nan 0.000 0.531 24 P HA -0.167 nan 4.420 nan 0.000 0.220 24 P C 0.719 178.021 177.300 0.003 0.000 1.144 24 P CA 1.256 64.227 63.100 -0.216 0.000 0.800 24 P CB 0.260 31.619 31.700 -0.567 0.000 0.772 25 L N -1.994 119.343 121.223 0.191 0.000 2.607 25 L HA 0.123 4.469 4.340 0.009 0.000 0.228 25 L C 0.311 177.097 176.870 -0.141 0.000 1.123 25 L CA -0.181 54.541 54.840 -0.196 0.000 0.890 25 L CB -0.436 41.210 42.059 -0.688 0.000 1.103 25 L HN -0.091 nan 8.230 nan 0.000 0.468 26 D N 1.357 121.819 120.400 0.104 0.000 2.423 26 D HA 0.136 4.782 4.640 0.009 0.000 0.238 26 D C -2.043 174.353 176.300 0.160 0.000 1.142 26 D CA -1.034 53.102 54.000 0.227 0.000 0.884 26 D CB 0.580 41.505 40.800 0.209 0.000 1.199 26 D HN -0.068 nan 8.370 nan 0.000 0.438 27 P HA 0.094 nan 4.420 nan 0.000 0.272 27 P C -0.081 177.312 177.300 0.155 0.000 1.240 27 P CA -0.396 62.812 63.100 0.181 0.000 0.791 27 P CB 0.579 32.409 31.700 0.218 0.000 0.978 28 L N 0.800 122.114 121.223 0.152 0.000 2.499 28 L HA 0.063 4.408 4.340 0.009 0.000 0.273 28 L C 1.211 178.142 176.870 0.102 0.000 1.195 28 L CA 0.093 55.001 54.840 0.114 0.000 0.882 28 L CB -0.128 41.999 42.059 0.113 0.000 1.133 28 L HN 0.509 nan 8.230 nan 0.000 0.483 29 S N 0.264 115.990 115.700 0.043 0.000 2.624 29 S HA 0.109 4.585 4.470 0.009 0.000 0.263 29 S C 1.313 175.848 174.600 -0.107 0.000 1.287 29 S CA -0.173 58.003 58.200 -0.040 0.000 0.990 29 S CB 1.277 64.452 63.200 -0.042 0.000 0.950 29 S HN 0.773 nan 8.310 nan 0.000 0.561 30 T N -1.450 112.942 114.554 -0.269 0.000 2.788 30 T HA -0.083 4.273 4.350 0.009 0.000 0.268 30 T C 1.952 176.585 174.700 -0.112 0.000 1.044 30 T CA 1.106 63.078 62.100 -0.215 0.000 1.139 30 T CB -1.074 67.619 68.868 -0.291 0.000 0.867 30 T HN 0.881 nan 8.240 nan 0.000 0.454 31 A N 1.971 124.733 122.820 -0.097 0.000 1.902 31 A HA -0.074 4.251 4.320 0.009 0.000 0.217 31 A C 2.319 179.878 177.584 -0.043 0.000 1.181 31 A CA 1.560 53.561 52.037 -0.060 0.000 0.623 31 A CB -0.667 18.305 19.000 -0.046 0.000 0.818 31 A HN 0.667 nan 8.150 nan 0.000 0.443 32 E N -0.322 119.860 120.200 -0.031 0.000 2.106 32 E HA -0.134 4.221 4.350 0.009 0.000 0.192 32 E C 1.848 178.438 176.600 -0.016 0.000 0.984 32 E CA 1.109 57.503 56.400 -0.011 0.000 0.806 32 E CB -0.286 29.421 29.700 0.012 0.000 0.750 32 E HN 0.712 nan 8.360 nan 0.000 0.458 33 I N 1.035 121.592 120.570 -0.022 0.000 2.179 33 I HA -0.254 3.921 4.170 0.009 0.000 0.242 33 I C 2.525 178.587 176.117 -0.092 0.000 1.088 33 I CA 0.857 62.136 61.300 -0.035 0.000 1.357 33 I CB -0.195 37.799 38.000 -0.010 0.000 1.051 33 I HN -0.040 nan 8.210 nan 0.000 0.409 34 K N 1.254 121.602 120.400 -0.087 0.000 2.063 34 K HA -0.138 4.188 4.320 0.009 0.000 0.208 34 K C 2.157 178.701 176.600 -0.093 0.000 1.048 34 K CA 1.789 58.015 56.287 -0.102 0.000 0.928 34 K CB -0.520 31.937 32.500 -0.071 0.000 0.713 34 K HN 0.331 nan 8.250 nan 0.000 0.442 35 A N 0.787 123.570 122.820 -0.061 0.000 1.877 35 A HA -0.127 4.199 4.320 0.009 0.000 0.216 35 A C 2.381 179.936 177.584 -0.048 0.000 1.186 35 A CA 2.351 54.363 52.037 -0.042 0.000 0.620 35 A CB -0.731 18.255 19.000 -0.023 0.000 0.822 35 A HN 0.349 nan 8.150 nan 0.000 0.443 36 A N -0.273 122.515 122.820 -0.054 0.000 1.877 36 A HA -0.120 4.206 4.320 0.009 0.000 0.216 36 A C 2.490 180.006 177.584 -0.114 0.000 1.186 36 A CA 2.747 54.754 52.037 -0.050 0.000 0.620 36 A CB -1.507 17.484 19.000 -0.014 0.000 0.822 36 A HN 0.801 nan 8.150 nan 0.000 0.443 37 T N -1.797 112.610 114.554 -0.245 0.000 2.821 37 T HA -0.158 4.198 4.350 0.009 0.000 0.267 37 T C 1.674 176.289 174.700 -0.142 0.000 1.046 37 T CA 1.454 63.276 62.100 -0.463 0.000 1.139 37 T CB -0.595 67.720 68.868 -0.923 0.000 0.871 37 T HN 0.382 nan 8.240 nan 0.000 0.454 38 N N 1.403 120.046 118.700 -0.094 0.000 2.084 38 N HA -0.068 4.678 4.740 0.009 0.000 0.190 38 N C 2.120 177.644 175.510 0.024 0.000 1.030 38 N CA 1.850 54.891 53.050 -0.015 0.000 0.849 38 N CB -1.100 37.375 38.487 -0.020 0.000 1.012 38 N HN 0.502 nan 8.380 nan 0.000 0.423 39 T N 1.093 115.648 114.554 0.002 0.000 2.684 39 T HA -0.074 4.281 4.350 0.009 0.000 0.267 39 T C 2.157 176.879 174.700 0.036 0.000 1.036 39 T CA 1.070 63.178 62.100 0.013 0.000 1.148 39 T CB -0.376 68.485 68.868 -0.010 0.000 0.863 39 T HN -0.013 nan 8.240 nan 0.000 0.436 40 V N 1.467 121.397 119.914 0.027 0.000 2.307 40 V HA -0.155 3.971 4.120 0.009 0.000 0.245 40 V C 2.478 178.740 176.094 0.280 0.000 1.045 40 V CA 1.497 63.840 62.300 0.072 0.000 1.024 40 V CB -0.485 31.314 31.823 -0.040 0.000 0.651 40 V HN 0.474 nan 8.190 nan 0.000 0.449 41 K N -0.022 120.556 120.400 0.295 0.000 2.074 41 K HA -0.184 4.141 4.320 0.009 0.000 0.209 41 K C 2.454 179.160 176.600 0.177 0.000 1.048 41 K CA 1.819 58.262 56.287 0.260 0.000 0.926 41 K CB -0.358 32.270 32.500 0.214 0.000 0.713 41 K HN 0.357 nan 8.250 nan 0.000 0.444 42 S N 0.343 116.115 115.700 0.121 0.000 2.355 42 S HA -0.158 4.317 4.470 0.009 0.000 0.222 42 S C 1.734 176.351 174.600 0.028 0.000 1.031 42 S CA 0.970 59.209 58.200 0.065 0.000 0.993 42 S CB -0.355 62.874 63.200 0.048 0.000 0.859 42 S HN 0.330 nan 8.310 nan 0.000 0.453 43 Y N 1.060 121.287 120.300 -0.121 0.000 2.165 43 Y HA -0.111 4.446 4.550 0.012 0.000 0.286 43 Y C 0.718 176.366 175.900 -0.420 0.000 1.155 43 Y CA 1.368 59.286 58.100 -0.305 0.000 1.164 43 Y CB -0.188 37.999 38.460 -0.455 0.000 0.978 43 Y HN 0.205 nan 8.280 nan 0.000 0.513 44 F N 0.903 120.894 119.950 0.068 0.000 2.974 44 F HA 0.434 4.954 4.527 -0.011 0.000 0.292 44 F C 0.876 176.657 175.800 -0.031 0.000 1.209 44 F CA -0.434 57.562 58.000 -0.007 0.000 1.366 44 F CB -0.911 38.111 39.000 0.038 0.000 1.033 44 F HN 0.010 nan 8.300 nan 0.000 0.516 45 A N 0.296 123.134 122.820 0.030 0.000 2.567 45 A HA 0.369 4.694 4.320 0.009 0.000 0.240 45 A C 1.497 179.100 177.584 0.032 0.000 1.053 45 A CA 0.793 52.846 52.037 0.027 0.000 0.755 45 A CB -0.612 18.375 19.000 -0.021 0.000 0.978 45 A HN 1.178 nan 8.150 nan 0.000 0.507 46 G N 1.705 110.529 108.800 0.039 0.000 2.160 46 G HA2 -0.176 3.789 3.960 0.009 0.000 0.244 46 G HA3 -0.176 3.789 3.960 0.009 0.000 0.244 46 G C -0.087 174.834 174.900 0.035 0.000 1.022 46 G CA 0.533 45.650 45.100 0.028 0.000 0.741 46 G HN 0.809 nan 8.290 nan 0.000 0.508 47 K N -0.320 120.111 120.400 0.052 0.000 2.427 47 K HA 0.412 4.737 4.320 0.009 0.000 0.252 47 K C -0.330 176.271 176.600 0.002 0.000 0.931 47 K CA -1.050 55.257 56.287 0.033 0.000 0.793 47 K CB 2.259 34.799 32.500 0.066 0.000 1.211 47 K HN 0.208 nan 8.250 nan 0.000 0.426 48 K N 4.402 124.787 120.400 -0.025 0.000 2.219 48 K HA 0.241 4.566 4.320 0.009 0.000 0.280 48 K C 0.003 176.548 176.600 -0.091 0.000 1.104 48 K CA -0.282 55.982 56.287 -0.038 0.000 0.925 48 K CB -0.206 32.276 32.500 -0.029 0.000 1.261 48 K HN 0.623 nan 8.250 nan 0.000 0.445 49 I N 0.205 120.700 120.570 -0.126 0.000 2.797 49 I HA 0.611 4.787 4.170 0.009 0.000 0.307 49 I C -0.801 175.164 176.117 -0.252 0.000 1.033 49 I CA -0.856 60.294 61.300 -0.250 0.000 1.071 49 I CB 2.311 40.070 38.000 -0.402 0.000 1.255 49 I HN 0.491 nan 8.210 nan 0.000 0.445 50 S N 2.304 117.807 115.700 -0.328 0.000 2.549 50 S HA 0.663 5.138 4.470 0.009 0.000 0.280 50 S C -1.059 173.313 174.600 -0.379 0.000 1.109 50 S CA -0.667 57.395 58.200 -0.230 0.000 0.905 50 S CB 1.328 64.476 63.200 -0.087 0.000 1.081 50 S HN 0.491 nan 8.310 nan 0.000 0.477 51 F N 2.869 122.807 119.950 -0.021 0.000 2.411 51 F HA 0.458 4.998 4.527 0.021 0.000 0.350 51 F C 1.771 177.568 175.800 -0.004 0.000 1.114 51 F CA -0.607 57.388 58.000 -0.008 0.000 1.135 51 F CB 1.095 40.097 39.000 0.004 0.000 1.120 51 F HN 0.832 nan 8.300 nan 0.000 0.495 52 N N 1.125 119.894 118.700 0.115 0.000 2.482 52 N HA 0.015 4.761 4.740 0.009 0.000 0.179 52 N C -0.387 175.196 175.510 0.121 0.000 1.039 52 N CA 0.698 53.799 53.050 0.085 0.000 0.884 52 N CB 0.630 39.142 38.487 0.041 0.000 1.113 52 N HN 0.552 nan 8.380 nan 0.000 0.440 53 T N 0.613 115.218 114.554 0.084 0.000 3.105 53 T HA 0.441 4.797 4.350 0.009 0.000 0.321 53 T C -1.383 173.306 174.700 -0.019 0.000 1.135 53 T CA -0.488 61.572 62.100 -0.067 0.000 1.053 53 T CB 2.527 71.231 68.868 -0.273 0.000 1.133 53 T HN -0.141 nan 8.240 nan 0.000 0.463 54 V N 2.756 122.664 119.914 -0.009 0.000 2.462 54 V HA 0.754 4.880 4.120 0.009 0.000 0.288 54 V C -0.147 175.987 176.094 0.067 0.000 1.020 54 V CA -0.465 61.875 62.300 0.067 0.000 0.857 54 V CB 1.611 33.476 31.823 0.070 0.000 1.013 54 V HN 0.984 nan 8.190 nan 0.000 0.431 55 T N 3.818 118.437 114.554 0.108 0.000 2.841 55 T HA 0.630 4.985 4.350 0.009 0.000 0.296 55 T C -1.195 173.633 174.700 0.214 0.000 1.166 55 T CA -0.530 61.674 62.100 0.173 0.000 1.007 55 T CB 1.634 70.609 68.868 0.177 0.000 1.253 55 T HN 0.568 nan 8.240 nan 0.000 0.511 56 L N 2.953 124.293 121.223 0.196 0.000 2.490 56 L HA 0.575 4.920 4.340 0.009 0.000 0.274 56 L C 0.159 177.116 176.870 0.146 0.000 1.201 56 L CA 0.129 55.062 54.840 0.154 0.000 0.869 56 L CB 0.394 42.527 42.059 0.124 0.000 1.123 56 L HN 0.593 nan 8.230 nan 0.000 0.484 57 R N 4.442 125.015 120.500 0.121 0.000 2.233 57 R HA 0.319 4.664 4.340 0.009 0.000 0.334 57 R C -0.626 175.697 176.300 0.039 0.000 1.037 57 R CA -0.204 55.944 56.100 0.079 0.000 0.920 57 R CB -0.098 30.262 30.300 0.100 0.000 1.137 57 R HN 0.760 nan 8.270 nan 0.000 0.492 58 E N 4.936 125.143 120.200 0.013 0.000 2.437 58 E HA 0.064 4.420 4.350 0.009 0.000 0.263 58 E C -1.929 174.678 176.600 0.011 0.000 1.030 58 E CA -1.305 55.091 56.400 -0.006 0.000 0.934 58 E CB 0.180 29.856 29.700 -0.040 0.000 0.943 58 E HN 0.496 nan 8.360 nan 0.000 0.444 59 P HA -0.029 nan 4.420 nan 0.000 0.268 59 P C -0.923 176.428 177.300 0.086 0.000 1.208 59 P CA 0.013 63.144 63.100 0.052 0.000 0.777 59 P CB 0.492 32.237 31.700 0.076 0.000 0.875 60 A N 2.402 125.271 122.820 0.082 0.000 2.483 60 A HA 0.006 4.331 4.320 0.009 0.000 0.238 60 A C 1.814 179.468 177.584 0.117 0.000 1.070 60 A CA -0.015 52.083 52.037 0.101 0.000 0.770 60 A CB -0.262 18.785 19.000 0.079 0.000 1.008 60 A HN 0.673 nan 8.150 nan 0.000 0.497 61 R N 1.041 121.597 120.500 0.093 0.000 2.112 61 R HA -0.194 4.151 4.340 0.009 0.000 0.242 61 R C 1.871 178.121 176.300 -0.083 0.000 1.137 61 R CA 2.336 58.368 56.100 -0.112 0.000 0.944 61 R CB -0.247 29.756 30.300 -0.496 0.000 0.857 61 R HN 0.848 nan 8.270 nan 0.000 0.435 62 K N -0.412 119.961 120.400 -0.045 0.000 2.032 62 K HA -0.171 4.155 4.320 0.009 0.000 0.209 62 K C 2.110 178.728 176.600 0.030 0.000 1.048 62 K CA 1.555 57.829 56.287 -0.021 0.000 0.927 62 K CB -0.235 32.266 32.500 0.001 0.000 0.712 62 K HN 0.279 nan 8.250 nan 0.000 0.441 63 A N 0.751 123.610 122.820 0.064 0.000 1.883 63 A HA -0.235 4.091 4.320 0.009 0.000 0.217 63 A C 2.086 179.745 177.584 0.126 0.000 1.186 63 A CA 1.613 53.699 52.037 0.081 0.000 0.624 63 A CB -0.938 18.105 19.000 0.071 0.000 0.822 63 A HN 0.449 nan 8.150 nan 0.000 0.444 64 Y N 0.527 120.873 120.300 0.076 0.000 2.097 64 Y HA -0.226 4.329 4.550 0.009 0.000 0.282 64 Y C 2.099 178.135 175.900 0.228 0.000 1.152 64 Y CA 1.964 60.161 58.100 0.162 0.000 1.136 64 Y CB -0.325 38.240 38.460 0.174 0.000 0.975 64 Y HN 0.280 nan 8.280 nan 0.000 0.498 65 I N 0.064 120.701 120.570 0.112 0.000 2.163 65 I HA -0.383 3.793 4.170 0.009 0.000 0.243 65 I C 2.445 178.528 176.117 -0.056 0.000 1.085 65 I CA 1.775 63.080 61.300 0.008 0.000 1.347 65 I CB -0.598 37.396 38.000 -0.009 0.000 1.044 65 I HN 0.360 nan 8.210 nan 0.000 0.408 66 Q N -0.372 119.419 119.800 -0.015 0.000 2.096 66 Q HA -0.283 4.062 4.340 0.009 0.000 0.204 66 Q C 2.035 178.017 176.000 -0.030 0.000 0.982 66 Q CA 2.293 58.084 55.803 -0.020 0.000 0.850 66 Q CB -0.354 28.391 28.738 0.012 0.000 0.901 66 Q HN 0.636 nan 8.270 nan 0.000 0.422 67 W N 1.751 122.939 121.300 -0.188 0.000 2.355 67 W HA -0.180 4.487 4.660 0.011 0.000 0.309 67 W C 2.054 178.418 176.519 -0.260 0.000 1.206 67 W CA 1.315 58.533 57.345 -0.212 0.000 1.284 67 W CB -0.075 29.235 29.460 -0.250 0.000 1.145 67 W HN -0.129 nan 8.180 nan 0.000 0.502 68 K N 0.415 120.526 120.400 -0.483 0.000 2.057 68 K HA -0.176 4.150 4.320 0.009 0.000 0.206 68 K C 0.986 177.299 176.600 -0.480 0.000 1.050 68 K CA 1.998 57.846 56.287 -0.733 0.000 0.935 68 K CB -0.194 32.024 32.500 -0.469 0.000 0.715 68 K HN 0.517 nan 8.250 nan 0.000 0.439 69 E N -1.311 118.718 120.200 -0.286 0.000 2.714 69 E HA 0.071 4.426 4.350 0.009 0.000 0.219 69 E C 0.116 176.625 176.600 -0.151 0.000 0.979 69 E CA -0.135 56.147 56.400 -0.196 0.000 1.092 69 E CB 0.707 30.338 29.700 -0.116 0.000 1.049 69 E HN 0.181 nan 8.360 nan 0.000 0.487 70 Q N 0.343 120.049 119.800 -0.156 0.000 2.055 70 Q HA 0.226 4.571 4.340 0.009 0.000 0.226 70 Q C 0.541 176.478 176.000 -0.105 0.000 0.805 70 Q CA 0.059 55.799 55.803 -0.105 0.000 1.072 70 Q CB 1.612 30.308 28.738 -0.069 0.000 1.219 70 Q HN 0.370 nan 8.270 nan 0.000 0.451 71 G N 0.958 109.662 108.800 -0.159 0.000 2.233 71 G HA2 -0.299 3.666 3.960 0.009 0.000 0.270 71 G HA3 -0.299 3.666 3.960 0.009 0.000 0.270 71 G C 0.473 175.331 174.900 -0.070 0.000 1.011 71 G CA 0.084 45.103 45.100 -0.135 0.000 0.762 71 G HN 0.497 nan 8.290 nan 0.000 0.511 72 G N 0.112 108.882 108.800 -0.050 0.000 2.667 72 G HA2 0.577 4.542 3.960 0.009 0.000 0.250 72 G HA3 0.577 4.542 3.960 0.009 0.000 0.250 72 G C -1.064 173.910 174.900 0.124 0.000 1.212 72 G CA -0.223 44.897 45.100 0.034 0.000 0.874 72 G HN 0.362 nan 8.290 nan 0.000 0.561 73 P HA 0.106 nan 4.420 nan 0.000 0.269 73 P C -0.367 177.037 177.300 0.173 0.000 1.215 73 P CA -0.566 62.610 63.100 0.126 0.000 0.780 73 P CB 1.063 32.801 31.700 0.064 0.000 0.898 74 L N 4.675 125.968 121.223 0.116 0.000 2.410 74 L HA 0.289 4.635 4.340 0.009 0.000 0.273 74 L C -2.150 174.639 176.870 -0.135 0.000 1.144 74 L CA -1.594 53.188 54.840 -0.097 0.000 0.863 74 L CB -0.543 41.469 42.059 -0.078 0.000 1.140 74 L HN 0.283 nan 8.230 nan 0.000 0.463 75 P HA 0.224 nan 4.420 nan 0.000 0.271 75 P C -2.549 174.689 177.300 -0.103 0.000 1.216 75 P CA -0.909 62.120 63.100 -0.119 0.000 0.776 75 P CB -0.131 31.502 31.700 -0.113 0.000 0.881 76 P HA 0.117 nan 4.420 nan 0.000 0.271 76 P C -0.378 176.907 177.300 -0.025 0.000 1.216 76 P CA -0.171 62.911 63.100 -0.030 0.000 0.776 76 P CB 0.716 32.413 31.700 -0.006 0.000 0.881 77 R N 2.782 123.270 120.500 -0.020 0.000 2.351 77 R HA 0.346 4.692 4.340 0.009 0.000 0.318 77 R C 0.057 176.371 176.300 0.023 0.000 1.055 77 R CA -0.153 55.946 56.100 -0.003 0.000 0.968 77 R CB -0.426 29.874 30.300 0.000 0.000 0.974 77 R HN 0.559 nan 8.270 nan 0.000 0.439 78 L N 1.593 122.840 121.223 0.039 0.000 2.354 78 L HA 0.685 5.030 4.340 0.009 0.000 0.269 78 L C -0.015 176.915 176.870 0.100 0.000 1.005 78 L CA -1.136 53.744 54.840 0.067 0.000 0.819 78 L CB 2.098 44.197 42.059 0.066 0.000 1.311 78 L HN 0.500 nan 8.230 nan 0.000 0.423 79 A N 1.749 124.648 122.820 0.133 0.000 2.331 79 A HA 0.576 4.901 4.320 0.009 0.000 0.320 79 A C -1.622 176.115 177.584 0.255 0.000 1.138 79 A CA -0.380 51.761 52.037 0.174 0.000 0.790 79 A CB 1.034 20.120 19.000 0.144 0.000 1.206 79 A HN 0.594 nan 8.150 nan 0.000 0.470 80 Y N 3.395 123.765 120.300 0.117 0.000 2.320 80 Y HA 0.586 5.143 4.550 0.013 0.000 0.334 80 Y C -0.832 175.153 175.900 0.141 0.000 1.055 80 Y CA -0.925 57.222 58.100 0.078 0.000 1.143 80 Y CB 0.774 39.261 38.460 0.044 0.000 1.193 80 Y HN 0.716 nan 8.280 nan 0.000 0.477 81 Y N 3.519 123.507 120.300 -0.521 0.000 2.536 81 Y HA 0.835 5.387 4.550 0.005 0.000 0.347 81 Y C -2.053 173.488 175.900 -0.599 0.000 1.000 81 Y CA -1.790 56.068 58.100 -0.404 0.000 1.051 81 Y CB 1.198 39.640 38.460 -0.029 0.000 1.259 81 Y HN 0.355 nan 8.280 nan 0.000 0.468 82 V N 5.097 124.902 119.914 -0.180 0.000 2.577 82 V HA 0.581 4.706 4.120 0.009 0.000 0.303 82 V C -0.276 175.811 176.094 -0.011 0.000 1.042 82 V CA -0.724 61.483 62.300 -0.155 0.000 0.872 82 V CB 1.442 33.213 31.823 -0.087 0.000 0.998 82 V HN 0.901 nan 8.190 nan 0.000 0.423 83 I N 2.394 122.920 120.570 -0.074 0.000 3.145 83 I HA 0.721 4.897 4.170 0.009 0.000 0.313 83 I C -1.712 174.270 176.117 -0.226 0.000 1.122 83 I CA -1.023 60.139 61.300 -0.231 0.000 0.987 83 I CB 2.446 40.177 38.000 -0.447 0.000 1.236 83 I HN 0.256 nan 8.210 nan 0.000 0.453 84 L N 1.869 122.943 121.223 -0.249 0.000 2.333 84 L HA 0.589 4.935 4.340 0.009 0.000 0.269 84 L C -0.527 176.204 176.870 -0.232 0.000 1.010 84 L CA -0.292 54.431 54.840 -0.194 0.000 0.818 84 L CB 1.759 43.739 42.059 -0.131 0.000 1.306 84 L HN 0.813 nan 8.230 nan 0.000 0.430 85 E N 0.911 120.998 120.200 -0.187 0.000 2.224 85 E HA 0.566 4.922 4.350 0.009 0.000 0.265 85 E C -0.761 175.774 176.600 -0.108 0.000 0.878 85 E CA -0.728 55.566 56.400 -0.175 0.000 0.759 85 E CB 2.187 31.772 29.700 -0.191 0.000 1.164 85 E HN 0.735 nan 8.360 nan 0.000 0.414 86 A N 2.742 125.510 122.820 -0.087 0.000 2.567 86 A HA 0.383 4.708 4.320 0.009 0.000 0.240 86 A C 1.259 178.817 177.584 -0.044 0.000 1.053 86 A CA 1.112 53.115 52.037 -0.056 0.000 0.755 86 A CB -0.487 18.487 19.000 -0.043 0.000 0.978 86 A HN 1.128 nan 8.150 nan 0.000 0.507 87 G N 1.746 110.526 108.800 -0.035 0.000 2.225 87 G HA2 -0.213 3.752 3.960 0.009 0.000 0.254 87 G HA3 -0.213 3.752 3.960 0.009 0.000 0.254 87 G C 0.280 175.165 174.900 -0.025 0.000 0.988 87 G CA 0.673 45.758 45.100 -0.024 0.000 0.625 87 G HN 0.767 nan 8.290 nan 0.000 0.527 88 K N 1.516 121.893 120.400 -0.039 0.000 2.138 88 K HA 0.542 4.867 4.320 0.009 0.000 0.263 88 K C -2.197 174.380 176.600 -0.038 0.000 0.965 88 K CA -1.840 54.424 56.287 -0.037 0.000 0.868 88 K CB 2.127 34.595 32.500 -0.053 0.000 1.083 88 K HN 0.253 nan 8.250 nan 0.000 0.443 89 P HA 0.194 nan 4.420 nan 0.000 0.277 89 P C 0.525 177.804 177.300 -0.035 0.000 1.240 89 P CA 0.130 63.218 63.100 -0.020 0.000 0.798 89 P CB 0.845 32.543 31.700 -0.002 0.000 0.979 90 G N 0.693 109.472 108.800 -0.036 0.000 2.550 90 G HA2 -0.117 3.849 3.960 0.009 0.000 0.277 90 G HA3 -0.117 3.849 3.960 0.009 0.000 0.277 90 G C -0.168 174.673 174.900 -0.097 0.000 1.190 90 G CA 0.590 45.654 45.100 -0.060 0.000 0.971 90 G HN 0.906 nan 8.290 nan 0.000 0.559 91 V N -3.994 115.840 119.914 -0.135 0.000 3.103 91 V HA 0.973 5.098 4.120 0.009 0.000 0.311 91 V C -0.491 175.518 176.094 -0.142 0.000 1.322 91 V CA -0.499 61.703 62.300 -0.163 0.000 1.063 91 V CB 1.921 33.603 31.823 -0.235 0.000 1.090 91 V HN 1.078 nan 8.190 nan 0.000 0.462 92 K N 0.777 121.092 120.400 -0.142 0.000 2.468 92 K HA 0.637 4.963 4.320 0.009 0.000 0.252 92 K C -1.288 175.248 176.600 -0.107 0.000 0.932 92 K CA -0.515 55.722 56.287 -0.084 0.000 0.794 92 K CB 2.465 34.915 32.500 -0.084 0.000 1.241 92 K HN 1.016 nan 8.250 nan 0.000 0.428 93 E N 0.864 120.976 120.200 -0.148 0.000 2.392 93 E HA 0.830 5.185 4.350 0.009 0.000 0.269 93 E C -0.386 175.869 176.600 -0.576 0.000 0.924 93 E CA -1.265 54.884 56.400 -0.419 0.000 0.784 93 E CB 2.338 31.960 29.700 -0.129 0.000 1.292 93 E HN 0.620 nan 8.360 nan 0.000 0.447 94 G N 0.202 108.339 108.800 -1.105 0.000 2.341 94 G HA2 0.418 4.384 3.960 0.009 0.000 0.299 94 G HA3 0.418 4.384 3.960 0.009 0.000 0.299 94 G C -1.816 172.826 174.900 -0.429 0.000 1.274 94 G CA -1.010 43.706 45.100 -0.640 0.000 0.853 94 G HN 0.401 nan 8.290 nan 0.000 0.493 95 L N -0.063 121.173 121.223 0.022 0.000 2.381 95 L HA 0.711 5.057 4.340 0.009 0.000 0.268 95 L C -0.628 176.374 176.870 0.221 0.000 0.997 95 L CA -1.169 53.770 54.840 0.166 0.000 0.818 95 L CB 2.340 44.468 42.059 0.115 0.000 1.310 95 L HN 0.336 nan 8.230 nan 0.000 0.416 96 V N 0.971 121.017 119.914 0.219 0.000 2.417 96 V HA 0.178 4.304 4.120 0.009 0.000 0.291 96 V C -0.607 175.537 176.094 0.083 0.000 1.024 96 V CA -0.516 61.860 62.300 0.127 0.000 0.861 96 V CB 1.943 33.830 31.823 0.106 0.000 0.985 96 V HN 0.727 nan 8.190 nan 0.000 0.436 97 D N 3.835 124.266 120.400 0.051 0.000 2.365 97 D HA 0.278 4.924 4.640 0.009 0.000 0.237 97 D C 1.047 177.364 176.300 0.029 0.000 1.190 97 D CA -0.200 53.823 54.000 0.038 0.000 0.867 97 D CB 0.933 41.749 40.800 0.027 0.000 1.050 97 D HN 0.451 nan 8.370 nan 0.000 0.491 98 L N 3.574 124.815 121.223 0.029 0.000 2.083 98 L HA -0.124 4.221 4.340 0.009 0.000 0.209 98 L C 2.440 179.318 176.870 0.013 0.000 1.083 98 L CA 1.126 55.978 54.840 0.021 0.000 0.752 98 L CB -0.428 41.644 42.059 0.021 0.000 0.899 98 L HN 0.568 nan 8.230 nan 0.000 0.433 99 A N 0.060 122.887 122.820 0.012 0.000 1.908 99 A HA -0.208 4.117 4.320 0.009 0.000 0.218 99 A C 2.353 179.942 177.584 0.010 0.000 1.181 99 A CA 2.147 54.189 52.037 0.008 0.000 0.627 99 A CB -0.531 18.473 19.000 0.006 0.000 0.818 99 A HN 0.515 nan 8.150 nan 0.000 0.445 100 S N -1.392 114.315 115.700 0.012 0.000 2.557 100 S HA 0.427 4.902 4.470 0.009 0.000 0.223 100 S C 0.464 175.072 174.600 0.014 0.000 0.969 100 S CA 0.110 58.318 58.200 0.013 0.000 0.927 100 S CB -0.532 62.677 63.200 0.014 0.000 0.806 100 S HN 0.601 nan 8.310 nan 0.000 0.489 101 L N 2.082 123.312 121.223 0.013 0.000 3.795 101 L HA -0.192 4.154 4.340 0.009 0.000 0.489 101 L C 0.007 176.885 176.870 0.014 0.000 1.259 101 L CA 0.513 55.359 54.840 0.011 0.000 0.765 101 L CB -2.356 39.708 42.059 0.009 0.000 1.519 101 L HN 0.719 nan 8.230 nan 0.000 0.842 102 S N -2.331 113.377 115.700 0.013 0.000 2.556 102 S HA 0.725 5.201 4.470 0.009 0.000 0.271 102 S C -0.404 174.187 174.600 -0.015 0.000 1.135 102 S CA -1.077 57.129 58.200 0.009 0.000 0.858 102 S CB 2.432 65.644 63.200 0.021 0.000 1.114 102 S HN -0.022 nan 8.310 nan 0.000 0.468 103 V N 2.962 122.827 119.914 -0.080 0.000 2.470 103 V HA 0.222 4.348 4.120 0.009 0.000 0.276 103 V C 1.160 177.187 176.094 -0.111 0.000 1.040 103 V CA -0.091 62.108 62.300 -0.168 0.000 1.008 103 V CB 0.137 31.589 31.823 -0.619 0.000 0.990 103 V HN 0.898 nan 8.190 nan 0.000 0.477 104 I N 1.134 121.686 120.570 -0.031 0.000 4.057 104 I HA 0.536 4.711 4.170 0.009 0.000 0.334 104 I C 0.542 176.657 176.117 -0.005 0.000 1.308 104 I CA 0.273 61.567 61.300 -0.009 0.000 1.125 104 I CB 0.452 38.462 38.000 0.017 0.000 1.034 104 I HN 0.640 nan 8.210 nan 0.000 0.401 105 E N 0.671 120.865 120.200 -0.010 0.000 2.354 105 E HA 0.460 4.815 4.350 0.009 0.000 0.283 105 E C -1.375 175.223 176.600 -0.004 0.000 0.938 105 E CA -0.462 55.940 56.400 0.003 0.000 0.777 105 E CB 2.324 32.037 29.700 0.022 0.000 1.222 105 E HN 0.101 nan 8.360 nan 0.000 0.423 106 T N 2.771 117.332 114.554 0.012 0.000 2.957 106 T HA 0.627 4.982 4.350 0.009 0.000 0.336 106 T C -1.999 172.748 174.700 0.079 0.000 1.462 106 T CA -0.661 61.468 62.100 0.049 0.000 1.073 106 T CB 0.957 69.882 68.868 0.094 0.000 1.319 106 T HN 0.662 nan 8.240 nan 0.000 0.485 107 R N 1.691 122.239 120.500 0.080 0.000 2.690 107 R HA 0.829 5.175 4.340 0.009 0.000 0.269 107 R C -1.724 174.613 176.300 0.063 0.000 1.037 107 R CA -1.210 54.937 56.100 0.077 0.000 0.877 107 R CB 1.096 31.428 30.300 0.052 0.000 1.255 107 R HN 0.708 nan 8.270 nan 0.000 0.467 108 A N 2.199 125.053 122.820 0.057 0.000 2.304 108 A HA 0.644 4.969 4.320 0.009 0.000 0.323 108 A C -1.125 176.459 177.584 0.001 0.000 1.195 108 A CA -0.753 51.298 52.037 0.023 0.000 0.826 108 A CB 0.958 19.980 19.000 0.036 0.000 1.184 108 A HN 0.398 nan 8.150 nan 0.000 0.496 109 L N 2.912 124.114 121.223 -0.035 0.000 2.356 109 L HA 0.347 4.693 4.340 0.009 0.000 0.264 109 L C 0.946 177.787 176.870 -0.049 0.000 1.029 109 L CA 0.269 55.084 54.840 -0.041 0.000 0.897 109 L CB 0.512 42.525 42.059 -0.077 0.000 1.256 109 L HN 0.902 nan 8.230 nan 0.000 0.444 110 E N 0.350 120.539 120.200 -0.019 0.000 2.427 110 E HA -0.052 4.303 4.350 0.009 0.000 0.196 110 E C 0.539 177.140 176.600 0.001 0.000 1.028 110 E CA 0.976 57.369 56.400 -0.013 0.000 0.864 110 E CB 0.336 30.037 29.700 0.001 0.000 0.813 110 E HN 0.645 nan 8.360 nan 0.000 0.514 111 T N -1.493 113.068 114.554 0.011 0.000 3.269 111 T HA 0.394 4.750 4.350 0.009 0.000 0.269 111 T C -0.116 174.614 174.700 0.050 0.000 0.993 111 T CA -0.424 61.699 62.100 0.039 0.000 0.909 111 T CB 0.342 69.242 68.868 0.053 0.000 1.115 111 T HN -0.139 nan 8.240 nan 0.000 0.543 112 V N 0.617 120.539 119.914 0.013 0.000 3.040 112 V HA 0.633 4.758 4.120 0.009 0.000 0.312 112 V C -1.741 174.348 176.094 -0.008 0.000 1.115 112 V CA -0.782 61.528 62.300 0.016 0.000 0.998 112 V CB 2.471 34.272 31.823 -0.036 0.000 1.042 112 V HN 0.355 nan 8.190 nan 0.000 0.433 113 Q N 4.336 124.160 119.800 0.041 0.000 2.356 113 Q HA 0.541 4.886 4.340 0.009 0.000 0.270 113 Q C -2.691 173.348 176.000 0.066 0.000 1.058 113 Q CA -1.880 53.943 55.803 0.032 0.000 0.802 113 Q CB 2.536 31.314 28.738 0.067 0.000 1.303 113 Q HN 0.527 nan 8.270 nan 0.000 0.444 114 P HA 0.280 nan 4.420 nan 0.000 0.279 114 P C 0.019 177.391 177.300 0.122 0.000 1.276 114 P CA -0.687 62.505 63.100 0.153 0.000 0.801 114 P CB 1.296 33.055 31.700 0.097 0.000 1.127 115 I N 0.360 121.021 120.570 0.153 0.000 2.815 115 I HA -0.054 4.122 4.170 0.009 0.000 0.291 115 I C 0.002 176.190 176.117 0.118 0.000 1.209 115 I CA -0.123 61.242 61.300 0.108 0.000 1.431 115 I CB 0.060 38.166 38.000 0.177 0.000 1.351 115 I HN 0.135 nan 8.210 nan 0.000 0.585 116 L N 7.707 128.985 121.223 0.091 0.000 2.283 116 L HA 0.225 4.570 4.340 0.009 0.000 0.287 116 L C 0.685 177.628 176.870 0.121 0.000 1.073 116 L CA -0.440 54.471 54.840 0.117 0.000 0.822 116 L CB 0.706 42.864 42.059 0.165 0.000 1.186 116 L HN 0.670 nan 8.230 nan 0.000 0.436 117 T N -0.810 113.744 114.554 -0.000 0.000 2.816 117 T HA 0.166 4.521 4.350 0.009 0.000 0.282 117 T C 1.501 176.128 174.700 -0.123 0.000 0.993 117 T CA -0.326 61.647 62.100 -0.212 0.000 0.994 117 T CB 1.470 70.146 68.868 -0.321 0.000 1.025 117 T HN 0.371 nan 8.240 nan 0.000 0.529 118 V N -0.623 119.180 119.914 -0.185 0.000 2.490 118 V HA -0.112 4.014 4.120 0.009 0.000 0.250 118 V C 2.247 178.321 176.094 -0.033 0.000 1.061 118 V CA 1.810 64.070 62.300 -0.066 0.000 1.064 118 V CB -1.288 30.509 31.823 -0.042 0.000 0.670 118 V HN 0.933 nan 8.190 nan 0.000 0.461 119 E N 0.471 120.639 120.200 -0.053 0.000 2.072 119 E HA -0.185 4.170 4.350 0.009 0.000 0.191 119 E C 2.039 178.637 176.600 -0.003 0.000 0.985 119 E CA 1.482 57.871 56.400 -0.018 0.000 0.801 119 E CB -0.275 29.415 29.700 -0.017 0.000 0.750 119 E HN 0.636 nan 8.360 nan 0.000 0.452 120 D N 0.550 120.946 120.400 -0.006 0.000 2.149 120 D HA -0.156 4.489 4.640 0.009 0.000 0.198 120 D C 1.954 178.277 176.300 0.038 0.000 0.990 120 D CA 1.015 55.025 54.000 0.016 0.000 0.839 120 D CB -0.026 40.789 40.800 0.025 0.000 0.948 120 D HN 0.194 nan 8.370 nan 0.000 0.460 121 L N -0.385 120.864 121.223 0.044 0.000 2.145 121 L HA 0.065 4.411 4.340 0.009 0.000 0.201 121 L C 1.275 178.176 176.870 0.052 0.000 1.075 121 L CA 0.174 55.052 54.840 0.064 0.000 0.773 121 L CB -0.023 42.077 42.059 0.070 0.000 0.936 121 L HN -0.108 nan 8.230 nan 0.000 0.451 122 C N 1.439 120.761 119.300 0.037 0.000 2.894 122 C HA 0.160 4.625 4.460 0.009 0.000 0.430 122 C C 1.434 176.442 174.990 0.030 0.000 1.048 122 C CA 0.767 59.807 59.018 0.037 0.000 1.158 122 C CB -2.010 25.749 27.740 0.032 0.000 1.634 122 C HN 0.719 nan 8.230 nan 0.000 0.565 123 S N -1.314 114.406 115.700 0.033 0.000 2.140 123 S HA -0.096 4.379 4.470 0.009 0.000 0.164 123 S C 0.928 175.544 174.600 0.027 0.000 0.730 123 S CA 0.488 58.703 58.200 0.024 0.000 1.748 123 S CB -0.784 62.428 63.200 0.019 0.000 1.134 123 S HN 0.426 nan 8.310 nan 0.000 0.485 124 T N 2.441 117.020 114.554 0.041 0.000 2.821 124 T HA 0.036 4.391 4.350 0.009 0.000 0.267 124 T C 1.509 176.236 174.700 0.045 0.000 1.046 124 T CA 1.744 63.873 62.100 0.048 0.000 1.139 124 T CB -0.356 68.556 68.868 0.072 0.000 0.871 124 T HN 0.624 nan 8.240 nan 0.000 0.454 125 E N 0.571 120.798 120.200 0.044 0.000 2.077 125 E HA -0.194 4.161 4.350 0.009 0.000 0.193 125 E C 2.164 178.764 176.600 -0.001 0.000 0.989 125 E CA 1.097 57.513 56.400 0.027 0.000 0.800 125 E CB 0.035 29.745 29.700 0.017 0.000 0.746 125 E HN 0.266 nan 8.360 nan 0.000 0.452 126 E N -0.129 120.070 120.200 -0.003 0.000 2.107 126 E HA -0.128 4.228 4.350 0.009 0.000 0.191 126 E C 1.983 178.585 176.600 0.003 0.000 0.982 126 E CA 0.918 57.312 56.400 -0.010 0.000 0.809 126 E CB -0.135 29.560 29.700 -0.008 0.000 0.756 126 E HN 0.258 nan 8.360 nan 0.000 0.459 127 V N 1.198 121.119 119.914 0.011 0.000 2.407 127 V HA -0.204 3.922 4.120 0.009 0.000 0.248 127 V C 2.089 178.196 176.094 0.021 0.000 1.055 127 V CA 1.938 64.246 62.300 0.014 0.000 1.049 127 V CB -0.556 31.275 31.823 0.014 0.000 0.662 127 V HN 0.486 nan 8.190 nan 0.000 0.455 128 I N -1.442 119.148 120.570 0.032 0.000 2.353 128 I HA -0.106 4.069 4.170 0.009 0.000 0.248 128 I C 2.673 178.818 176.117 0.047 0.000 1.119 128 I CA 1.476 62.807 61.300 0.051 0.000 1.417 128 I CB -0.739 37.309 38.000 0.080 0.000 1.078 128 I HN 0.150 nan 8.210 nan 0.000 0.421 129 R N 1.269 121.785 120.500 0.027 0.000 2.159 129 R HA -0.053 4.293 4.340 0.009 0.000 0.237 129 R C 1.265 177.577 176.300 0.020 0.000 1.131 129 R CA 1.466 57.578 56.100 0.019 0.000 0.982 129 R CB -0.325 29.968 30.300 -0.012 0.000 0.868 129 R HN 0.561 nan 8.270 nan 0.000 0.453 130 N N 0.430 119.138 118.700 0.014 0.000 2.230 130 N HA -0.042 4.704 4.740 0.009 0.000 0.202 130 N C -0.565 174.949 175.510 0.007 0.000 1.119 130 N CA 0.155 53.211 53.050 0.009 0.000 0.851 130 N CB 0.467 38.957 38.487 0.005 0.000 0.990 130 N HN 0.206 nan 8.380 nan 0.000 0.497 131 D N 1.512 121.918 120.400 0.010 0.000 2.295 131 D HA 0.127 4.773 4.640 0.009 0.000 0.248 131 D C -1.717 174.576 176.300 -0.011 0.000 1.154 131 D CA -1.859 52.142 54.000 0.001 0.000 0.857 131 D CB 2.369 43.174 40.800 0.007 0.000 1.117 131 D HN -0.074 nan 8.370 nan 0.000 0.468 132 P HA -0.176 nan 4.420 nan 0.000 0.215 132 P C 0.994 178.261 177.300 -0.055 0.000 1.157 132 P CA 1.595 64.677 63.100 -0.031 0.000 0.874 132 P CB 0.213 31.896 31.700 -0.029 0.000 0.790 133 A N -0.914 121.867 122.820 -0.065 0.000 1.902 133 A HA -0.147 4.179 4.320 0.009 0.000 0.217 133 A C 2.349 179.846 177.584 -0.145 0.000 1.181 133 A CA 1.715 53.688 52.037 -0.106 0.000 0.623 133 A CB -1.655 17.280 19.000 -0.108 0.000 0.818 133 A HN 0.033 nan 8.150 nan 0.000 0.443 134 V N 0.322 120.183 119.914 -0.088 0.000 2.343 134 V HA -0.262 3.864 4.120 0.009 0.000 0.247 134 V C 2.412 178.451 176.094 -0.092 0.000 1.051 134 V CA 1.979 64.236 62.300 -0.071 0.000 1.036 134 V CB -0.658 31.207 31.823 0.071 0.000 0.654 134 V HN 0.578 nan 8.190 nan 0.000 0.451 135 I N -0.140 120.402 120.570 -0.048 0.000 2.208 135 I HA -0.274 3.901 4.170 0.009 0.000 0.245 135 I C 2.592 178.662 176.117 -0.078 0.000 1.097 135 I CA 1.881 63.162 61.300 -0.032 0.000 1.363 135 I CB -0.401 37.589 38.000 -0.016 0.000 1.051 135 I HN 0.414 nan 8.210 nan 0.000 0.413 136 E N 0.555 120.686 120.200 -0.115 0.000 2.077 136 E HA -0.256 4.100 4.350 0.009 0.000 0.193 136 E C 2.226 178.708 176.600 -0.198 0.000 0.989 136 E CA 1.121 57.443 56.400 -0.131 0.000 0.800 136 E CB 0.153 29.774 29.700 -0.131 0.000 0.746 136 E HN 0.423 nan 8.360 nan 0.000 0.452 137 Q N -0.000 119.589 119.800 -0.352 0.000 2.079 137 Q HA -0.142 4.203 4.340 0.009 0.000 0.200 137 Q C 2.420 178.204 176.000 -0.360 0.000 0.974 137 Q CA 1.122 56.565 55.803 -0.600 0.000 0.840 137 Q CB -0.798 27.063 28.738 -1.461 0.000 0.898 137 Q HN 0.428 nan 8.270 nan 0.000 0.430 138 C N -0.083 119.121 119.300 -0.159 0.000 2.429 138 C HA -0.079 4.387 4.460 0.009 0.000 0.277 138 C C 2.891 177.886 174.990 0.008 0.000 1.262 138 C CA 0.503 59.567 59.018 0.077 0.000 1.733 138 C CB -1.001 26.814 27.740 0.125 0.000 2.010 138 C HN 0.262 nan 8.230 nan 0.000 0.483 139 V N 0.628 120.521 119.914 -0.034 0.000 2.287 139 V HA -0.201 3.924 4.120 0.009 0.000 0.248 139 V C 2.365 178.434 176.094 -0.041 0.000 1.053 139 V CA 1.697 63.977 62.300 -0.034 0.000 1.027 139 V CB -0.643 31.157 31.823 -0.039 0.000 0.646 139 V HN 0.402 nan 8.190 nan 0.000 0.447 140 L N 0.073 121.258 121.223 -0.064 0.000 2.131 140 L HA -0.084 4.261 4.340 0.009 0.000 0.210 140 L C 2.363 179.216 176.870 -0.029 0.000 1.092 140 L CA 1.725 56.532 54.840 -0.056 0.000 0.759 140 L CB -0.995 41.014 42.059 -0.084 0.000 0.903 140 L HN 0.282 nan 8.230 nan 0.000 0.435 141 S N -0.850 114.847 115.700 -0.005 0.000 2.603 141 S HA 0.265 4.740 4.470 0.009 0.000 0.220 141 S C 1.464 176.052 174.600 -0.019 0.000 0.967 141 S CA 0.674 58.891 58.200 0.029 0.000 0.920 141 S CB 0.055 63.339 63.200 0.140 0.000 0.773 141 S HN 0.620 nan 8.310 nan 0.000 0.529 142 G N 1.177 109.956 108.800 -0.036 0.000 2.163 142 G HA2 -0.182 3.783 3.960 0.009 0.000 0.213 142 G HA3 -0.182 3.783 3.960 0.009 0.000 0.213 142 G C -0.080 174.765 174.900 -0.093 0.000 0.991 142 G CA -0.513 44.550 45.100 -0.063 0.000 0.653 142 G HN 0.472 nan 8.290 nan 0.000 0.518 143 I N 2.924 123.451 120.570 -0.073 0.000 2.355 143 I HA 0.326 4.501 4.170 0.009 0.000 0.288 143 I C -1.896 174.214 176.117 -0.011 0.000 0.999 143 I CA -2.509 58.750 61.300 -0.069 0.000 1.163 143 I CB 2.028 39.996 38.000 -0.053 0.000 1.316 143 I HN -0.110 nan 8.210 nan 0.000 0.454 144 P HA 0.021 nan 4.420 nan 0.000 0.269 144 P C 0.556 177.874 177.300 0.030 0.000 1.209 144 P CA -0.102 63.006 63.100 0.014 0.000 0.776 144 P CB 1.230 32.943 31.700 0.022 0.000 0.876 145 A N 3.874 126.708 122.820 0.023 0.000 2.032 145 A HA -0.236 4.090 4.320 0.009 0.000 0.221 145 A C 1.658 179.273 177.584 0.052 0.000 1.165 145 A CA 2.049 54.103 52.037 0.029 0.000 0.645 145 A CB -1.565 17.444 19.000 0.014 0.000 0.807 145 A HN 0.813 nan 8.150 nan 0.000 0.453 146 N N -1.305 117.432 118.700 0.061 0.000 2.383 146 N HA 0.024 4.769 4.740 0.009 0.000 0.192 146 N C 0.424 176.033 175.510 0.165 0.000 1.141 146 N CA 0.434 53.539 53.050 0.092 0.000 0.851 146 N CB 0.068 38.597 38.487 0.071 0.000 0.976 146 N HN 0.577 nan 8.380 nan 0.000 0.465 147 E N -0.054 120.221 120.200 0.124 0.000 2.624 147 E HA 0.156 4.511 4.350 0.009 0.000 0.210 147 E C 0.779 177.340 176.600 -0.064 0.000 0.997 147 E CA -0.297 56.136 56.400 0.055 0.000 0.999 147 E CB 0.313 30.043 29.700 0.050 0.000 1.040 147 E HN 0.340 nan 8.360 nan 0.000 0.469 148 M N 1.193 120.830 119.600 0.060 0.000 2.346 148 M HA -0.142 4.343 4.480 0.009 0.000 0.263 148 M C 1.994 178.281 176.300 -0.021 0.000 1.064 148 M CA 1.439 56.762 55.300 0.039 0.000 1.083 148 M CB -1.090 31.547 32.600 0.061 0.000 1.399 148 M HN 0.355 nan 8.290 nan 0.000 0.435 149 H N -0.710 118.354 119.070 -0.009 0.000 2.561 149 H HA 0.021 4.583 4.556 0.009 0.000 0.278 149 H C 0.907 176.186 175.328 -0.081 0.000 1.014 149 H CA 0.689 56.693 56.048 -0.073 0.000 1.211 149 H CB -0.473 29.262 29.762 -0.046 0.000 1.365 149 H HN 0.378 nan 8.280 nan 0.000 0.594 150 K N 1.062 121.204 120.400 -0.429 0.000 2.374 150 K HA 0.218 4.543 4.320 0.009 0.000 0.196 150 K C 0.077 176.730 176.600 0.087 0.000 1.023 150 K CA -0.073 56.095 56.287 -0.198 0.000 1.103 150 K CB 1.306 33.617 32.500 -0.314 0.000 0.848 150 K HN 0.021 nan 8.250 nan 0.000 0.528 151 V N 2.109 122.055 119.914 0.053 0.000 2.465 151 V HA 0.219 4.344 4.120 0.009 0.000 0.279 151 V C -0.668 175.454 176.094 0.047 0.000 1.045 151 V CA -0.431 61.973 62.300 0.175 0.000 0.938 151 V CB 0.354 32.256 31.823 0.132 0.000 0.986 151 V HN 0.043 nan 8.190 nan 0.000 0.467 152 Y N 2.686 123.021 120.300 0.058 0.000 2.634 152 Y HA 0.787 5.342 4.550 0.009 0.000 0.340 152 Y C 0.174 176.137 175.900 0.104 0.000 1.058 152 Y CA -1.026 57.108 58.100 0.056 0.000 1.081 152 Y CB 2.065 40.531 38.460 0.010 0.000 1.295 152 Y HN 0.874 nan 8.280 nan 0.000 0.487 153 C N -1.065 118.402 119.300 0.279 0.000 3.171 153 C HA 0.657 5.122 4.460 0.009 0.000 0.336 153 C C -1.806 173.344 174.990 0.267 0.000 1.198 153 C CA -0.930 58.244 59.018 0.259 0.000 1.319 153 C CB 1.539 29.366 27.740 0.145 0.000 1.682 153 C HN 0.757 nan 8.230 nan 0.000 0.497 154 D N 4.078 124.679 120.400 0.336 0.000 2.329 154 D HA 0.487 5.133 4.640 0.009 0.000 0.232 154 D C -2.305 174.241 176.300 0.409 0.000 1.088 154 D CA -1.149 53.072 54.000 0.369 0.000 0.835 154 D CB 1.877 42.989 40.800 0.519 0.000 1.078 154 D HN 0.567 nan 8.370 nan 0.000 0.495 155 P HA 0.148 nan 4.420 nan 0.000 0.281 155 P C -0.761 176.786 177.300 0.410 0.000 1.286 155 P CA -0.398 62.877 63.100 0.291 0.000 0.772 155 P CB 0.349 32.156 31.700 0.178 0.000 0.862 156 W N 1.921 123.310 121.300 0.149 0.000 2.647 156 W HA 0.327 4.992 4.660 0.008 0.000 0.353 156 W C 0.526 177.168 176.519 0.205 0.000 1.080 156 W CA -0.187 57.300 57.345 0.237 0.000 1.208 156 W CB 0.762 30.324 29.460 0.170 0.000 1.396 156 W HN 0.200 nan 8.180 nan 0.000 0.573 157 T N 0.877 115.693 114.554 0.436 0.000 2.900 157 T HA 0.044 4.399 4.350 0.009 0.000 0.307 157 T C 0.993 175.821 174.700 0.213 0.000 1.065 157 T CA -0.484 61.727 62.100 0.184 0.000 1.105 157 T CB 0.805 69.671 68.868 -0.003 0.000 0.979 157 T HN 0.520 nan 8.240 nan 0.000 0.544 158 I N 0.874 121.519 120.570 0.124 0.000 3.291 158 I HA 0.104 4.280 4.170 0.009 0.000 0.279 158 I C 1.714 177.882 176.117 0.084 0.000 1.294 158 I CA 1.157 62.514 61.300 0.095 0.000 1.428 158 I CB -0.982 37.049 38.000 0.050 0.000 1.070 158 I HN 1.109 nan 8.210 nan 0.000 0.478 159 G N 1.020 109.861 108.800 0.070 0.000 4.766 159 G HA2 -0.387 3.578 3.960 0.009 0.000 0.314 159 G HA3 -0.387 3.578 3.960 0.009 0.000 0.314 159 G C -0.019 174.989 174.900 0.180 0.000 1.427 159 G CA 0.604 45.697 45.100 -0.012 0.000 1.024 159 G HN 0.442 nan 8.290 nan 0.000 0.754 160 Y N 1.809 122.157 120.300 0.080 0.000 2.376 160 Y HA 0.573 5.127 4.550 0.008 0.000 0.321 160 Y C -2.178 173.782 175.900 0.099 0.000 1.189 160 Y CA -0.667 57.494 58.100 0.101 0.000 1.069 160 Y CB 2.031 40.547 38.460 0.092 0.000 1.292 160 Y HN 0.459 nan 8.280 nan 0.000 0.430 161 D N 5.556 125.490 120.400 -0.777 0.000 2.542 161 D HA 0.135 4.780 4.640 0.009 0.000 0.252 161 D C 0.620 176.446 176.300 -0.790 0.000 1.222 161 D CA -0.240 53.440 54.000 -0.534 0.000 0.895 161 D CB 1.421 42.216 40.800 -0.009 0.000 1.207 161 D HN 0.834 nan 8.370 nan 0.000 0.558 162 E N 3.584 123.368 120.200 -0.693 0.000 2.396 162 E HA -0.193 4.163 4.350 0.009 0.000 0.200 162 E C 0.811 177.193 176.600 -0.364 0.000 1.023 162 E CA 0.658 56.824 56.400 -0.391 0.000 0.857 162 E CB -0.008 29.619 29.700 -0.121 0.000 0.775 162 E HN 0.469 nan 8.360 nan 0.000 0.525 163 R N -0.807 119.372 120.500 -0.537 0.000 2.236 163 R HA 0.035 4.380 4.340 0.009 0.000 0.208 163 R C 1.217 176.888 176.300 -1.049 0.000 1.036 163 R CA 1.108 56.652 56.100 -0.927 0.000 1.001 163 R CB 0.069 29.451 30.300 -1.530 0.000 0.896 163 R HN 0.341 nan 8.270 nan 0.000 0.464 164 W N -0.761 120.436 121.300 -0.171 0.000 2.520 164 W HA 0.301 4.966 4.660 0.008 0.000 0.272 164 W C 0.982 177.466 176.519 -0.058 0.000 0.984 164 W CA 0.434 57.717 57.345 -0.103 0.000 1.314 164 W CB 0.009 29.413 29.460 -0.092 0.000 0.945 164 W HN 0.207 nan 8.180 nan 0.000 0.596 165 G N 2.136 110.987 108.800 0.085 0.000 2.611 165 G HA2 -0.424 3.541 3.960 0.009 0.000 0.301 165 G HA3 -0.424 3.541 3.960 0.009 0.000 0.301 165 G C 0.772 175.806 174.900 0.223 0.000 1.233 165 G CA 2.234 47.451 45.100 0.195 0.000 0.993 165 G HN 0.159 nan 8.290 nan 0.000 0.553 166 T N -1.926 112.749 114.554 0.202 0.000 3.092 166 T HA 0.494 4.849 4.350 0.009 0.000 0.258 166 T C 2.120 176.892 174.700 0.119 0.000 1.031 166 T CA 1.041 63.239 62.100 0.164 0.000 0.925 166 T CB 0.693 69.655 68.868 0.156 0.000 1.036 166 T HN 1.654 nan 8.240 nan 0.000 0.544 167 G N 1.258 110.137 108.800 0.132 0.000 2.501 167 G HA2 -0.019 3.946 3.960 0.009 0.000 0.220 167 G HA3 -0.019 3.946 3.960 0.009 0.000 0.220 167 G C 0.391 175.343 174.900 0.087 0.000 1.114 167 G CA 0.276 45.441 45.100 0.109 0.000 0.757 167 G HN 0.560 nan 8.290 nan 0.000 0.559 168 K N -0.824 119.624 120.400 0.079 0.000 2.523 168 K HA 0.373 4.698 4.320 0.009 0.000 0.257 168 K C -0.949 175.650 176.600 -0.002 0.000 0.932 168 K CA -0.955 55.341 56.287 0.015 0.000 0.812 168 K CB 1.853 34.332 32.500 -0.037 0.000 1.326 168 K HN -0.005 nan 8.250 nan 0.000 0.433 169 R N 4.042 124.531 120.500 -0.018 0.000 2.248 169 R HA 0.227 4.572 4.340 0.009 0.000 0.337 169 R C -1.005 175.273 176.300 -0.038 0.000 1.085 169 R CA -0.372 55.722 56.100 -0.010 0.000 0.934 169 R CB 0.191 30.487 30.300 -0.006 0.000 1.034 169 R HN 0.265 nan 8.270 nan 0.000 0.465 170 L N 2.941 124.143 121.223 -0.034 0.000 2.319 170 L HA 0.483 4.828 4.340 0.009 0.000 0.267 170 L C -0.181 176.688 176.870 -0.002 0.000 1.011 170 L CA -0.615 54.184 54.840 -0.067 0.000 0.818 170 L CB 1.930 43.898 42.059 -0.152 0.000 1.316 170 L HN 0.628 nan 8.230 nan 0.000 0.432 171 Q N 0.858 120.659 119.800 0.001 0.000 2.423 171 Q HA 0.603 4.949 4.340 0.009 0.000 0.278 171 Q C -1.348 174.687 176.000 0.058 0.000 1.097 171 Q CA -0.836 55.011 55.803 0.074 0.000 0.809 171 Q CB 3.226 32.023 28.738 0.097 0.000 1.391 171 Q HN 0.614 nan 8.270 nan 0.000 0.428 172 Q N -0.043 119.824 119.800 0.111 0.000 2.353 172 Q HA 0.820 5.166 4.340 0.009 0.000 0.268 172 Q C -1.541 174.509 176.000 0.084 0.000 1.045 172 Q CA -1.023 54.818 55.803 0.062 0.000 0.811 172 Q CB 1.996 30.747 28.738 0.020 0.000 1.305 172 Q HN 0.539 nan 8.270 nan 0.000 0.447 173 A N 4.391 127.238 122.820 0.045 0.000 2.258 173 A HA 0.488 4.814 4.320 0.009 0.000 0.316 173 A C -0.445 177.113 177.584 -0.043 0.000 1.279 173 A CA -0.845 51.223 52.037 0.052 0.000 0.876 173 A CB 0.482 19.524 19.000 0.069 0.000 1.170 173 A HN 0.811 nan 8.150 nan 0.000 0.520 174 L N 4.011 125.201 121.223 -0.054 0.000 2.295 174 L HA 0.241 4.586 4.340 0.009 0.000 0.288 174 L C -0.319 176.473 176.870 -0.130 0.000 1.079 174 L CA -0.523 54.222 54.840 -0.158 0.000 0.830 174 L CB 0.667 42.642 42.059 -0.140 0.000 1.200 174 L HN 0.418 nan 8.230 nan 0.000 0.438 175 V N 4.116 123.815 119.914 -0.359 0.000 2.583 175 V HA 0.278 4.403 4.120 0.009 0.000 0.287 175 V C -0.391 175.355 176.094 -0.579 0.000 1.051 175 V CA -0.161 61.931 62.300 -0.347 0.000 1.010 175 V CB 0.815 32.328 31.823 -0.516 0.000 0.988 175 V HN 0.424 nan 8.190 nan 0.000 0.478 176 Y N 2.462 122.750 120.300 -0.021 0.000 2.615 176 Y HA 0.592 5.147 4.550 0.009 0.000 0.341 176 Y C -0.783 175.214 175.900 0.162 0.000 1.089 176 Y CA -0.921 57.191 58.100 0.019 0.000 1.049 176 Y CB 1.989 40.385 38.460 -0.107 0.000 1.296 176 Y HN 0.590 nan 8.280 nan 0.000 0.470 177 Y N 1.504 121.941 120.300 0.229 0.000 2.446 177 Y HA 0.702 5.257 4.550 0.009 0.000 0.345 177 Y C -1.061 174.940 175.900 0.168 0.000 0.984 177 Y CA -1.362 56.856 58.100 0.195 0.000 1.058 177 Y CB 1.371 39.935 38.460 0.173 0.000 1.220 177 Y HN 0.543 nan 8.280 nan 0.000 0.455 178 R N 3.101 123.162 120.500 -0.730 0.000 2.480 178 R HA 0.249 4.594 4.340 0.009 0.000 0.306 178 R C 0.554 176.138 176.300 -1.193 0.000 0.958 178 R CA -0.009 55.578 56.100 -0.855 0.000 0.861 178 R CB 1.858 31.714 30.300 -0.739 0.000 1.171 178 R HN 0.912 nan 8.270 nan 0.000 0.445 179 S N 0.850 115.894 115.700 -1.094 0.000 2.436 179 S HA -0.089 4.386 4.470 0.009 0.000 0.228 179 S C 0.440 174.798 174.600 -0.404 0.000 1.014 179 S CA 0.798 58.651 58.200 -0.578 0.000 0.950 179 S CB 0.099 63.162 63.200 -0.228 0.000 0.784 179 S HN 0.668 nan 8.310 nan 0.000 0.504 180 D N -0.135 119.981 120.400 -0.474 0.000 2.934 180 D HA 0.235 4.880 4.640 0.009 0.000 0.230 180 D C 0.742 176.859 176.300 -0.305 0.000 1.204 180 D CA -0.458 53.370 54.000 -0.286 0.000 0.873 180 D CB 1.591 42.261 40.800 -0.217 0.000 1.645 180 D HN 0.197 nan 8.370 nan 0.000 0.502 181 E N 1.725 121.821 120.200 -0.174 0.000 2.219 181 E HA -0.266 4.089 4.350 0.009 0.000 0.198 181 E C 0.190 176.656 176.600 -0.224 0.000 0.998 181 E CA 1.202 57.514 56.400 -0.147 0.000 0.818 181 E CB -0.010 29.675 29.700 -0.024 0.000 0.741 181 E HN 0.391 nan 8.360 nan 0.000 0.477 182 D N 1.158 121.425 120.400 -0.220 0.000 2.340 182 D HA 0.035 4.681 4.640 0.009 0.000 0.220 182 D C -0.239 175.902 176.300 -0.265 0.000 1.039 182 D CA 0.261 54.115 54.000 -0.242 0.000 0.866 182 D CB -0.101 40.567 40.800 -0.221 0.000 0.913 182 D HN 0.184 nan 8.370 nan 0.000 0.523 183 D N -0.034 120.144 120.400 -0.369 0.000 2.360 183 D HA 0.019 4.665 4.640 0.009 0.000 0.242 183 D C 0.116 176.168 176.300 -0.414 0.000 1.184 183 D CA 0.188 53.897 54.000 -0.485 0.000 0.930 183 D CB 0.908 41.262 40.800 -0.744 0.000 1.161 183 D HN -0.221 nan 8.370 nan 0.000 0.447 184 S N 0.239 115.724 115.700 -0.359 0.000 2.404 184 S HA 0.034 4.510 4.470 0.009 0.000 0.309 184 S C 1.248 175.784 174.600 -0.106 0.000 1.076 184 S CA -0.668 57.415 58.200 -0.196 0.000 1.095 184 S CB 0.332 63.459 63.200 -0.123 0.000 0.972 184 S HN 0.366 nan 8.310 nan 0.000 0.484 185 Q N 4.073 123.690 119.800 -0.305 0.000 2.308 185 Q HA -0.206 4.140 4.340 0.009 0.000 0.209 185 Q C 0.404 176.278 176.000 -0.211 0.000 0.985 185 Q CA 1.778 57.403 55.803 -0.296 0.000 0.881 185 Q CB -0.657 27.741 28.738 -0.568 0.000 0.917 185 Q HN 0.884 nan 8.270 nan 0.000 0.443 186 Y N 2.079 122.356 120.300 -0.040 0.000 2.556 186 Y HA -0.121 4.434 4.550 0.009 0.000 0.290 186 Y C 2.535 178.642 175.900 0.345 0.000 1.149 186 Y CA 1.235 59.375 58.100 0.067 0.000 1.329 186 Y CB -0.125 38.358 38.460 0.038 0.000 0.975 186 Y HN 0.374 nan 8.280 nan 0.000 0.561 187 S N -1.926 114.022 115.700 0.415 0.000 2.558 187 S HA -0.020 4.456 4.470 0.009 0.000 0.217 187 S C 0.183 174.827 174.600 0.074 0.000 0.975 187 S CA 0.265 58.659 58.200 0.322 0.000 0.912 187 S CB -0.353 62.939 63.200 0.153 0.000 0.776 187 S HN 0.453 nan 8.310 nan 0.000 0.526 188 H N 2.221 121.364 119.070 0.121 0.000 2.386 188 H HA 0.439 5.000 4.556 0.009 0.000 0.232 188 H C -2.813 172.596 175.328 0.135 0.000 1.416 188 H CA -1.859 54.252 56.048 0.106 0.000 1.285 188 H CB 0.623 30.448 29.762 0.105 0.000 1.625 188 H HN 0.355 nan 8.280 nan 0.000 0.521 189 P HA 0.071 nan 4.420 nan 0.000 0.274 189 P C -0.014 177.089 177.300 -0.329 0.000 1.231 189 P CA -0.190 62.706 63.100 -0.340 0.000 0.790 189 P CB 1.910 33.359 31.700 -0.417 0.000 0.951 190 L N 1.800 122.767 121.223 -0.427 0.000 2.416 190 L HA 0.241 4.587 4.340 0.009 0.000 0.263 190 L C 1.714 178.351 176.870 -0.389 0.000 1.065 190 L CA -0.440 54.188 54.840 -0.352 0.000 0.798 190 L CB 0.566 42.360 42.059 -0.441 0.000 1.267 190 L HN 0.377 nan 8.230 nan 0.000 0.467 191 D N -0.831 119.463 120.400 -0.177 0.000 2.348 191 D HA -0.028 4.617 4.640 0.009 0.000 0.211 191 D C 0.153 176.582 176.300 0.216 0.000 0.998 191 D CA 0.183 54.182 54.000 -0.002 0.000 0.873 191 D CB -0.096 40.753 40.800 0.081 0.000 0.925 191 D HN 0.223 nan 8.370 nan 0.000 0.524 192 F N -0.578 119.417 119.950 0.074 0.000 2.457 192 F HA 0.607 5.138 4.527 0.008 0.000 0.330 192 F C -0.363 175.466 175.800 0.048 0.000 1.069 192 F CA -2.274 55.768 58.000 0.070 0.000 1.009 192 F CB 0.966 39.983 39.000 0.028 0.000 1.276 192 F HN -0.129 nan 8.300 nan 0.000 0.492 193 C N 3.693 123.118 119.300 0.209 0.000 2.534 193 C HA 0.592 5.057 4.460 0.009 0.000 0.309 193 C C -2.756 172.339 174.990 0.175 0.000 1.072 193 C CA -2.044 57.022 59.018 0.080 0.000 1.441 193 C CB -0.172 27.564 27.740 -0.007 0.000 1.906 193 C HN 0.663 nan 8.230 nan 0.000 0.429 194 P HA 0.390 nan 4.420 nan 0.000 0.272 194 P C -0.773 176.591 177.300 0.107 0.000 1.223 194 P CA 0.155 63.357 63.100 0.170 0.000 0.784 194 P CB 0.555 32.356 31.700 0.169 0.000 0.923 195 I N 1.737 122.361 120.570 0.090 0.000 2.410 195 I HA 0.259 4.435 4.170 0.009 0.000 0.286 195 I C -0.605 175.475 176.117 -0.061 0.000 1.009 195 I CA -0.887 60.410 61.300 -0.005 0.000 1.111 195 I CB 1.728 39.694 38.000 -0.057 0.000 1.262 195 I HN -0.046 nan 8.210 nan 0.000 0.443 196 V N 4.688 124.568 119.914 -0.057 0.000 2.483 196 V HA 0.266 4.392 4.120 0.009 0.000 0.295 196 V C -0.074 175.966 176.094 -0.090 0.000 1.035 196 V CA -0.671 61.596 62.300 -0.054 0.000 0.896 196 V CB 2.022 33.844 31.823 -0.002 0.000 0.986 196 V HN 0.618 nan 8.190 nan 0.000 0.447 197 D N 2.933 123.278 120.400 -0.092 0.000 2.365 197 D HA 0.132 4.777 4.640 0.009 0.000 0.237 197 D C 1.193 177.465 176.300 -0.046 0.000 1.190 197 D CA 0.013 53.957 54.000 -0.093 0.000 0.867 197 D CB 1.758 42.503 40.800 -0.091 0.000 1.050 197 D HN 0.629 nan 8.370 nan 0.000 0.491 198 T N 3.094 117.628 114.554 -0.033 0.000 2.665 198 T HA -0.210 4.145 4.350 0.009 0.000 0.268 198 T C 1.528 176.221 174.700 -0.012 0.000 1.035 198 T CA 1.181 63.275 62.100 -0.010 0.000 1.151 198 T CB 0.072 68.941 68.868 0.002 0.000 0.862 198 T HN 0.577 nan 8.240 nan 0.000 0.438 199 E N 0.496 120.684 120.200 -0.020 0.000 2.072 199 E HA -0.139 4.216 4.350 0.009 0.000 0.190 199 E C 1.940 178.529 176.600 -0.018 0.000 0.982 199 E CA 0.785 57.173 56.400 -0.020 0.000 0.803 199 E CB 0.099 29.785 29.700 -0.024 0.000 0.755 199 E HN 0.323 nan 8.360 nan 0.000 0.453 200 E N 0.618 120.805 120.200 -0.021 0.000 2.427 200 E HA -0.057 4.298 4.350 0.009 0.000 0.196 200 E C 0.144 176.736 176.600 -0.014 0.000 1.028 200 E CA 0.263 56.653 56.400 -0.018 0.000 0.864 200 E CB 0.070 29.758 29.700 -0.021 0.000 0.813 200 E HN 0.101 nan 8.360 nan 0.000 0.514 201 K N 0.816 121.208 120.400 -0.013 0.000 3.148 201 K HA -0.222 4.103 4.320 0.009 0.000 0.267 201 K C -0.400 176.196 176.600 -0.007 0.000 0.996 201 K CA 0.943 57.227 56.287 -0.006 0.000 0.737 201 K CB -1.300 31.199 32.500 -0.002 0.000 1.308 201 K HN 0.326 nan 8.250 nan 0.000 0.470 202 K N -2.496 117.896 120.400 -0.014 0.000 2.532 202 K HA 0.532 4.858 4.320 0.009 0.000 0.265 202 K C -0.710 175.878 176.600 -0.019 0.000 0.948 202 K CA -1.245 55.035 56.287 -0.012 0.000 0.842 202 K CB 1.673 34.167 32.500 -0.010 0.000 1.392 202 K HN -0.126 nan 8.250 nan 0.000 0.436 203 V N 3.626 123.535 119.914 -0.008 0.000 2.508 203 V HA 0.089 4.214 4.120 0.009 0.000 0.281 203 V C 1.245 177.335 176.094 -0.006 0.000 1.041 203 V CA -0.180 62.117 62.300 -0.005 0.000 1.016 203 V CB 0.390 32.219 31.823 0.010 0.000 0.984 203 V HN 0.853 nan 8.190 nan 0.000 0.478 204 I N 1.485 122.044 120.570 -0.018 0.000 4.057 204 I HA 0.546 4.721 4.170 0.009 0.000 0.334 204 I C 0.072 176.299 176.117 0.184 0.000 1.308 204 I CA 0.400 61.711 61.300 0.019 0.000 1.125 204 I CB 0.498 38.440 38.000 -0.097 0.000 1.034 204 I HN 0.480 nan 8.210 nan 0.000 0.401 205 F N 1.085 121.019 119.950 -0.026 0.000 2.769 205 F HA 0.601 5.133 4.527 0.008 0.000 0.313 205 F C -2.106 173.736 175.800 0.071 0.000 1.146 205 F CA -0.997 57.046 58.000 0.071 0.000 0.934 205 F CB 1.552 40.677 39.000 0.209 0.000 1.283 205 F HN -0.214 nan 8.300 nan 0.000 0.443 206 I N 3.672 124.073 120.570 -0.283 0.000 2.512 206 I HA 0.271 4.447 4.170 0.009 0.000 0.287 206 I C -1.403 174.761 176.117 0.078 0.000 1.069 206 I CA -0.795 60.504 61.300 -0.001 0.000 1.056 206 I CB 1.833 39.782 38.000 -0.086 0.000 1.229 206 I HN 0.351 nan 8.210 nan 0.000 0.429 207 D N 7.625 128.243 120.400 0.365 0.000 2.325 207 D HA 0.408 5.054 4.640 0.009 0.000 0.251 207 D C -0.233 176.228 176.300 0.268 0.000 1.196 207 D CA 0.323 54.572 54.000 0.415 0.000 0.866 207 D CB 1.580 42.622 40.800 0.404 0.000 1.101 207 D HN 0.299 nan 8.370 nan 0.000 0.476 208 I N 4.707 125.398 120.570 0.201 0.000 2.378 208 I HA 0.218 4.393 4.170 0.009 0.000 0.291 208 I C -1.846 174.361 176.117 0.151 0.000 0.992 208 I CA -1.897 59.495 61.300 0.154 0.000 1.154 208 I CB 1.907 39.934 38.000 0.044 0.000 1.315 208 I HN 0.083 nan 8.210 nan 0.000 0.448 209 P HA 0.182 nan 4.420 nan 0.000 0.272 209 P C -0.287 177.074 177.300 0.101 0.000 1.223 209 P CA -0.219 62.970 63.100 0.149 0.000 0.784 209 P CB 1.047 32.867 31.700 0.200 0.000 0.923 210 N N 0.376 119.125 118.700 0.081 0.000 2.142 210 N HA -0.098 4.647 4.740 0.009 0.000 0.186 210 N C 1.054 176.599 175.510 0.057 0.000 1.023 210 N CA 0.493 53.575 53.050 0.053 0.000 0.852 210 N CB 0.072 38.583 38.487 0.039 0.000 0.998 210 N HN 0.369 nan 8.380 nan 0.000 0.424 211 R N 1.952 122.498 120.500 0.077 0.000 2.196 211 R HA 0.137 4.483 4.340 0.009 0.000 0.340 211 R C -0.723 175.628 176.300 0.084 0.000 1.043 211 R CA -0.504 55.640 56.100 0.073 0.000 0.883 211 R CB 0.440 30.791 30.300 0.084 0.000 1.078 211 R HN 0.002 nan 8.270 nan 0.000 0.462 212 R N 3.254 123.790 120.500 0.060 0.000 2.490 212 R HA 0.266 4.612 4.340 0.009 0.000 0.278 212 R C -0.371 175.954 176.300 0.041 0.000 1.069 212 R CA -0.559 55.576 56.100 0.060 0.000 1.080 212 R CB 0.765 31.088 30.300 0.039 0.000 1.030 212 R HN 0.506 nan 8.270 nan 0.000 0.491 213 R N 1.250 121.770 120.500 0.032 0.000 2.483 213 R HA 0.290 4.635 4.340 0.009 0.000 0.303 213 R C -0.344 175.946 176.300 -0.018 0.000 0.987 213 R CA -0.451 55.643 56.100 -0.009 0.000 0.881 213 R CB 1.763 32.033 30.300 -0.051 0.000 1.177 213 R HN 0.348 nan 8.270 nan 0.000 0.451 214 K N 1.554 121.941 120.400 -0.020 0.000 2.138 214 K HA 0.281 4.607 4.320 0.009 0.000 0.251 214 K C 0.142 176.713 176.600 -0.049 0.000 1.015 214 K CA -0.730 55.542 56.287 -0.025 0.000 0.917 214 K CB 0.790 33.272 32.500 -0.029 0.000 1.021 214 K HN 0.268 nan 8.250 nan 0.000 0.485 215 V N 0.294 120.172 119.914 -0.059 0.000 2.953 215 V HA -0.090 4.036 4.120 0.009 0.000 0.304 215 V C 0.837 176.907 176.094 -0.039 0.000 1.138 215 V CA -0.258 62.003 62.300 -0.066 0.000 1.266 215 V CB 0.523 32.257 31.823 -0.149 0.000 0.923 215 V HN 0.780 nan 8.190 nan 0.000 0.505 216 S N 1.775 117.463 115.700 -0.021 0.000 2.549 216 S HA 0.199 4.675 4.470 0.009 0.000 0.283 216 S C 0.678 175.337 174.600 0.098 0.000 1.320 216 S CA -0.387 57.798 58.200 -0.025 0.000 1.058 216 S CB 0.499 63.527 63.200 -0.286 0.000 0.882 216 S HN 0.756 nan 8.310 nan 0.000 0.498 217 K N 2.497 122.892 120.400 -0.008 0.000 2.387 217 K HA 0.266 4.592 4.320 0.009 0.000 0.198 217 K C -0.154 176.433 176.600 -0.020 0.000 1.022 217 K CA 0.144 56.419 56.287 -0.020 0.000 1.128 217 K CB -0.050 32.381 32.500 -0.114 0.000 0.853 217 K HN 0.674 nan 8.250 nan 0.000 0.523 218 H N 0.076 119.243 119.070 0.162 0.000 2.544 218 H HA 0.215 4.777 4.556 0.009 0.000 0.365 218 H C 0.055 175.584 175.328 0.334 0.000 1.268 218 H CA -0.149 56.004 56.048 0.175 0.000 1.400 218 H CB 0.736 30.541 29.762 0.071 0.000 1.538 218 H HN -0.171 nan 8.280 nan 0.000 0.597 219 K N 0.727 121.391 120.400 0.440 0.000 2.219 219 K HA 0.094 4.419 4.320 0.009 0.000 0.258 219 K C -0.480 176.401 176.600 0.468 0.000 1.008 219 K CA -0.310 56.204 56.287 0.377 0.000 0.928 219 K CB 0.322 32.992 32.500 0.283 0.000 0.983 219 K HN 0.510 nan 8.250 nan 0.000 0.484 220 H N -0.140 119.047 119.070 0.194 0.000 2.690 220 H HA 0.157 4.719 4.556 0.009 0.000 0.365 220 H C -0.269 175.039 175.328 -0.033 0.000 1.142 220 H CA 0.089 56.205 56.048 0.112 0.000 1.417 220 H CB 0.850 30.523 29.762 -0.147 0.000 1.446 220 H HN 0.646 nan 8.280 nan 0.000 0.599 221 A N 3.969 126.688 122.820 -0.169 0.000 2.506 221 A HA 0.212 4.537 4.320 0.009 0.000 0.320 221 A C -0.104 177.311 177.584 -0.282 0.000 1.424 221 A CA -0.682 51.136 52.037 -0.364 0.000 1.044 221 A CB -0.558 17.973 19.000 -0.782 0.000 1.140 221 A HN 0.656 nan 8.150 nan 0.000 0.538 222 N N 0.958 119.503 118.700 -0.259 0.000 2.477 222 N HA 0.613 5.358 4.740 0.009 0.000 0.284 222 N C -0.172 175.244 175.510 -0.156 0.000 1.182 222 N CA -0.315 52.469 53.050 -0.444 0.000 0.949 222 N CB 1.197 39.082 38.487 -1.003 0.000 1.204 222 N HN 0.587 nan 8.380 nan 0.000 0.526 223 F N -2.076 117.877 119.950 0.005 0.000 2.838 223 F HA 0.446 4.978 4.527 0.009 0.000 0.329 223 F C -0.396 175.439 175.800 0.059 0.000 1.116 223 F CA -0.825 57.182 58.000 0.011 0.000 1.155 223 F CB -0.546 38.378 39.000 -0.127 0.000 1.106 223 F HN 0.198 nan 8.300 nan 0.000 0.538 224 Y N 2.392 122.834 120.300 0.236 0.000 2.300 224 Y HA 0.357 4.912 4.550 0.009 0.000 0.328 224 Y C -1.061 174.860 175.900 0.036 0.000 1.270 224 Y CA -1.751 56.422 58.100 0.122 0.000 1.352 224 Y CB 0.330 38.740 38.460 -0.083 0.000 1.286 224 Y HN -0.226 nan 8.280 nan 0.000 0.536 225 P HA -0.300 nan 4.420 nan 0.000 0.217 225 P C 1.160 178.473 177.300 0.023 0.000 1.162 225 P CA 2.909 66.049 63.100 0.067 0.000 0.901 225 P CB 0.118 31.851 31.700 0.054 0.000 0.793 226 K N -1.066 119.297 120.400 -0.062 0.000 2.103 226 K HA -0.227 4.098 4.320 0.009 0.000 0.207 226 K C 1.758 178.316 176.600 -0.070 0.000 1.048 226 K CA 1.835 58.053 56.287 -0.115 0.000 0.930 226 K CB -1.198 31.171 32.500 -0.219 0.000 0.716 226 K HN 0.292 nan 8.250 nan 0.000 0.444 227 H N 0.015 119.107 119.070 0.037 0.000 2.333 227 H HA 0.048 4.610 4.556 0.009 0.000 0.302 227 H C 2.186 177.536 175.328 0.037 0.000 1.075 227 H CA 1.405 57.465 56.048 0.021 0.000 1.348 227 H CB 0.049 29.812 29.762 0.001 0.000 1.393 227 H HN 0.078 nan 8.280 nan 0.000 0.509 228 M N 0.273 119.976 119.600 0.172 0.000 2.159 228 M HA -0.116 4.370 4.480 0.009 0.000 0.263 228 M C 2.313 178.662 176.300 0.081 0.000 1.063 228 M CA 1.258 56.627 55.300 0.115 0.000 1.110 228 M CB -0.681 31.977 32.600 0.097 0.000 1.374 228 M HN 0.323 nan 8.290 nan 0.000 0.411 229 I N -0.327 120.281 120.570 0.063 0.000 2.286 229 I HA -0.264 3.912 4.170 0.009 0.000 0.248 229 I C 2.608 178.755 176.117 0.050 0.000 1.115 229 I CA 1.138 62.464 61.300 0.045 0.000 1.392 229 I CB -0.335 37.681 38.000 0.026 0.000 1.065 229 I HN 0.361 nan 8.210 nan 0.000 0.418 230 E N 1.074 121.312 120.200 0.063 0.000 2.158 230 E HA -0.206 4.149 4.350 0.009 0.000 0.191 230 E C 2.021 178.666 176.600 0.075 0.000 0.982 230 E CA 0.945 57.385 56.400 0.066 0.000 0.823 230 E CB 0.254 30.000 29.700 0.077 0.000 0.766 230 E HN 0.387 nan 8.360 nan 0.000 0.468 231 K N 0.416 120.869 120.400 0.088 0.000 1.975 231 K HA -0.063 4.263 4.320 0.009 0.000 0.210 231 K C 1.531 178.176 176.600 0.075 0.000 1.041 231 K CA 1.310 57.650 56.287 0.090 0.000 0.942 231 K CB -0.032 32.529 32.500 0.102 0.000 0.729 231 K HN 0.028 nan 8.250 nan 0.000 0.439 232 V N -2.155 117.800 119.914 0.068 0.000 3.613 232 V HA 0.422 4.547 4.120 0.009 0.000 0.283 232 V C 1.423 177.545 176.094 0.048 0.000 1.052 232 V CA 0.009 62.343 62.300 0.056 0.000 0.937 232 V CB 0.401 32.256 31.823 0.053 0.000 1.241 232 V HN 0.352 nan 8.190 nan 0.000 0.429 233 G N -0.622 108.202 108.800 0.040 0.000 2.394 233 G HA2 0.459 4.425 3.960 0.009 0.000 0.214 233 G HA3 0.459 4.425 3.960 0.009 0.000 0.214 233 G C 0.419 175.338 174.900 0.032 0.000 1.176 233 G CA 0.984 46.105 45.100 0.034 0.000 0.786 233 G HN 1.631 nan 8.290 nan 0.000 0.533 234 A N -1.720 121.118 122.820 0.031 0.000 2.536 234 A HA 0.681 5.007 4.320 0.009 0.000 0.293 234 A C -0.642 176.959 177.584 0.028 0.000 1.119 234 A CA -0.667 51.387 52.037 0.027 0.000 0.654 234 A CB 0.632 19.644 19.000 0.021 0.000 1.291 234 A HN 0.014 nan 8.150 nan 0.000 0.439 235 M N 0.635 120.250 119.600 0.025 0.000 2.197 235 M HA 0.373 4.858 4.480 0.009 0.000 0.305 235 M C 0.671 176.982 176.300 0.019 0.000 1.162 235 M CA 0.091 55.405 55.300 0.024 0.000 1.099 235 M CB 0.106 32.719 32.600 0.022 0.000 1.430 235 M HN 0.749 nan 8.290 nan 0.000 0.481 236 R N 0.406 120.916 120.500 0.017 0.000 2.637 236 R HA 0.409 4.755 4.340 0.009 0.000 0.269 236 R C -2.102 174.205 176.300 0.011 0.000 1.089 236 R CA -1.358 54.749 56.100 0.013 0.000 1.177 236 R CB -0.509 29.797 30.300 0.011 0.000 1.091 236 R HN 0.381 nan 8.270 nan 0.000 0.540 237 P HA 0.050 nan 4.420 nan 0.000 0.275 237 P C -0.927 176.377 177.300 0.007 0.000 1.228 237 P CA -0.367 62.738 63.100 0.008 0.000 0.786 237 P CB 0.549 32.254 31.700 0.007 0.000 0.927 238 E N 0.996 121.199 120.200 0.006 0.000 2.465 238 E HA 0.274 4.629 4.350 0.009 0.000 0.260 238 E C -0.160 176.442 176.600 0.004 0.000 0.980 238 E CA -0.003 56.400 56.400 0.005 0.000 0.927 238 E CB 0.178 29.881 29.700 0.005 0.000 0.934 238 E HN 0.477 nan 8.360 nan 0.000 0.459 239 A N 5.385 128.207 122.820 0.002 0.000 2.351 239 A HA 0.397 4.723 4.320 0.009 0.000 0.257 239 A C -2.050 175.535 177.584 0.002 0.000 1.087 239 A CA -1.336 50.702 52.037 0.002 0.000 0.798 239 A CB -0.080 18.920 19.000 0.000 0.000 1.033 239 A HN 0.566 nan 8.150 nan 0.000 0.488 240 P HA 0.147 nan 4.420 nan 0.000 0.264 240 P C -2.202 175.099 177.300 0.001 0.000 1.183 240 P CA -0.299 62.802 63.100 0.002 0.000 0.763 240 P CB -0.089 31.612 31.700 0.002 0.000 0.807 241 P HA 0.204 nan 4.420 nan 0.000 0.272 241 P C -0.700 176.601 177.300 0.001 0.000 1.223 241 P CA 0.200 63.300 63.100 0.002 0.000 0.784 241 P CB 0.903 32.605 31.700 0.003 0.000 0.923 242 I N 2.498 123.069 120.570 0.001 0.000 2.464 242 I HA 0.208 4.384 4.170 0.009 0.000 0.277 242 I C 0.022 176.140 176.117 0.002 0.000 1.040 242 I CA -0.636 60.664 61.300 0.001 0.000 1.153 242 I CB 0.758 38.758 38.000 -0.001 0.000 1.274 242 I HN 0.171 nan 8.210 nan 0.000 0.469 243 N N 5.754 124.456 118.700 0.004 0.000 2.479 243 N HA 0.381 5.126 4.740 0.009 0.000 0.285 243 N C -0.632 174.884 175.510 0.009 0.000 1.075 243 N CA -0.345 52.708 53.050 0.006 0.000 0.967 243 N CB 2.843 41.334 38.487 0.007 0.000 1.137 243 N HN 0.161 nan 8.380 nan 0.000 0.472 244 V N 1.897 121.817 119.914 0.010 0.000 2.349 244 V HA 0.340 4.466 4.120 0.009 0.000 0.284 244 V C 0.038 176.143 176.094 0.019 0.000 1.014 244 V CA -0.636 61.674 62.300 0.017 0.000 0.826 244 V CB 1.093 32.928 31.823 0.019 0.000 1.009 244 V HN 0.790 nan 8.190 nan 0.000 0.431 245 T N 1.891 116.457 114.554 0.020 0.000 2.885 245 T HA 0.631 4.986 4.350 0.009 0.000 0.285 245 T C -0.502 174.211 174.700 0.022 0.000 1.019 245 T CA -0.769 61.342 62.100 0.018 0.000 1.010 245 T CB 2.240 71.116 68.868 0.013 0.000 1.022 245 T HN 0.500 nan 8.240 nan 0.000 0.466 246 Q N 1.876 121.687 119.800 0.019 0.000 2.965 246 Q HA 0.244 4.589 4.340 0.009 0.000 0.288 246 Q C -1.959 174.044 176.000 0.004 0.000 0.974 246 Q CA -1.925 53.888 55.803 0.016 0.000 0.849 246 Q CB 1.261 30.010 28.738 0.018 0.000 1.280 246 Q HN 0.568 nan 8.270 nan 0.000 0.441 247 P HA -0.198 nan 4.420 nan 0.000 0.217 247 P C 0.113 177.410 177.300 -0.004 0.000 1.148 247 P CA 1.352 64.452 63.100 0.001 0.000 0.828 247 P CB 0.335 32.037 31.700 0.004 0.000 0.783 248 E N -1.051 119.145 120.200 -0.007 0.000 2.499 248 E HA 0.366 4.721 4.350 0.009 0.000 0.199 248 E C 0.835 177.418 176.600 -0.028 0.000 1.016 248 E CA 0.013 56.405 56.400 -0.013 0.000 0.933 248 E CB 0.177 29.872 29.700 -0.009 0.000 1.050 248 E HN 0.154 nan 8.360 nan 0.000 0.462 249 G N 0.833 109.611 108.800 -0.035 0.000 2.582 249 G HA2 -0.210 3.756 3.960 0.009 0.000 0.222 249 G HA3 -0.210 3.756 3.960 0.009 0.000 0.222 249 G C -0.318 174.523 174.900 -0.097 0.000 1.311 249 G CA -0.526 44.532 45.100 -0.069 0.000 0.915 249 G HN 0.398 nan 8.290 nan 0.000 0.528 250 V N -2.685 117.110 119.914 -0.199 0.000 2.994 250 V HA 0.877 5.002 4.120 0.009 0.000 0.318 250 V C 1.422 177.378 176.094 -0.230 0.000 1.085 250 V CA 0.835 62.965 62.300 -0.283 0.000 0.998 250 V CB 1.474 32.852 31.823 -0.742 0.000 1.063 250 V HN 2.272 nan 8.190 nan 0.000 0.447 251 S N 1.715 117.378 115.700 -0.062 0.000 2.478 251 S HA 0.132 4.607 4.470 0.009 0.000 0.222 251 S C 0.659 175.346 174.600 0.146 0.000 1.008 251 S CA 0.283 58.517 58.200 0.057 0.000 0.928 251 S CB -0.696 62.591 63.200 0.146 0.000 0.781 251 S HN 1.090 nan 8.310 nan 0.000 0.518 252 F N 1.708 121.813 119.950 0.258 0.000 2.406 252 F HA 0.698 5.230 4.527 0.009 0.000 0.327 252 F C -0.025 175.803 175.800 0.047 0.000 1.153 252 F CA -1.347 56.778 58.000 0.208 0.000 1.218 252 F CB 0.543 39.628 39.000 0.141 0.000 1.215 252 F HN -0.034 nan 8.300 nan 0.000 0.570 253 K N 3.548 124.128 120.400 0.300 0.000 2.545 253 K HA 0.366 4.691 4.320 0.009 0.000 0.252 253 K C -1.514 175.128 176.600 0.070 0.000 0.948 253 K CA -0.760 55.606 56.287 0.131 0.000 0.827 253 K CB 1.011 33.541 32.500 0.051 0.000 1.128 253 K HN 0.712 nan 8.250 nan 0.000 0.429 254 M N 2.967 122.587 119.600 0.034 0.000 2.157 254 M HA 0.231 4.717 4.480 0.009 0.000 0.354 254 M C -0.700 175.574 176.300 -0.044 0.000 1.170 254 M CA -0.247 54.978 55.300 -0.124 0.000 1.060 254 M CB 1.370 33.733 32.600 -0.393 0.000 1.615 254 M HN 0.526 nan 8.290 nan 0.000 0.460 255 T N 2.799 117.319 114.554 -0.057 0.000 3.064 255 T HA 0.566 4.921 4.350 0.009 0.000 0.367 255 T C 0.745 175.445 174.700 0.001 0.000 1.202 255 T CA 0.223 62.324 62.100 0.001 0.000 1.133 255 T CB 0.876 69.754 68.868 0.017 0.000 1.074 255 T HN 1.024 nan 8.240 nan 0.000 0.519 256 G N 4.085 112.898 108.800 0.022 0.000 2.543 256 G HA2 -0.304 3.661 3.960 0.009 0.000 0.286 256 G HA3 -0.304 3.661 3.960 0.009 0.000 0.286 256 G C 0.687 175.555 174.900 -0.053 0.000 1.153 256 G CA 0.044 45.160 45.100 0.026 0.000 0.968 256 G HN 0.549 nan 8.290 nan 0.000 0.544 257 N N 0.477 119.099 118.700 -0.129 0.000 2.236 257 N HA 0.225 4.970 4.740 0.009 0.000 0.196 257 N C 0.420 175.655 175.510 -0.459 0.000 1.114 257 N CA 0.564 53.413 53.050 -0.335 0.000 0.859 257 N CB 1.004 39.171 38.487 -0.533 0.000 0.982 257 N HN 0.369 nan 8.380 nan 0.000 0.493 258 V N 2.399 122.148 119.914 -0.275 0.000 2.461 258 V HA 0.202 4.328 4.120 0.009 0.000 0.275 258 V C 0.264 176.155 176.094 -0.339 0.000 1.047 258 V CA -0.408 61.740 62.300 -0.254 0.000 0.955 258 V CB 1.212 33.011 31.823 -0.040 0.000 0.988 258 V HN 0.108 nan 8.190 nan 0.000 0.471 259 M N 5.341 124.595 119.600 -0.576 0.000 2.404 259 M HA 0.545 5.031 4.480 0.009 0.000 0.338 259 M C -0.634 175.382 176.300 -0.473 0.000 1.150 259 M CA 0.170 55.062 55.300 -0.681 0.000 1.016 259 M CB 1.530 33.347 32.600 -1.304 0.000 1.672 259 M HN 0.639 nan 8.290 nan 0.000 0.448 260 E N 3.521 123.599 120.200 -0.203 0.000 2.265 260 E HA 0.442 4.798 4.350 0.009 0.000 0.262 260 E C -2.310 174.389 176.600 0.166 0.000 0.889 260 E CA -0.251 56.135 56.400 -0.023 0.000 0.789 260 E CB 1.654 31.347 29.700 -0.011 0.000 1.221 260 E HN 0.763 nan 8.360 nan 0.000 0.414 261 W N 2.632 123.935 121.300 0.004 0.000 3.624 261 W HA 0.209 4.875 4.660 0.009 0.000 0.312 261 W C -0.221 176.392 176.519 0.157 0.000 1.203 261 W CA -0.412 56.989 57.345 0.095 0.000 1.225 261 W CB 1.544 31.066 29.460 0.103 0.000 1.321 261 W HN 0.428 nan 8.180 nan 0.000 0.506 262 S N 5.014 120.336 115.700 -0.631 0.000 3.491 262 S HA -0.324 4.152 4.470 0.009 0.000 0.371 262 S C 0.798 175.133 174.600 -0.441 0.000 0.980 262 S CA 1.960 59.740 58.200 -0.701 0.000 1.204 262 S CB -1.377 61.009 63.200 -1.356 0.000 0.915 262 S HN 0.985 nan 8.310 nan 0.000 0.482 263 N N -2.516 115.939 118.700 -0.408 0.000 2.972 263 N HA -0.175 4.571 4.740 0.009 0.000 0.225 263 N C -0.264 174.911 175.510 -0.559 0.000 0.883 263 N CA 1.656 54.313 53.050 -0.655 0.000 1.010 263 N CB -1.474 36.235 38.487 -1.296 0.000 1.052 263 N HN 0.557 nan 8.380 nan 0.000 0.598 264 F N 1.638 121.522 119.950 -0.109 0.000 2.384 264 F HA 0.439 4.971 4.527 0.009 0.000 0.338 264 F C 0.950 176.815 175.800 0.108 0.000 1.103 264 F CA 0.122 58.214 58.000 0.153 0.000 1.157 264 F CB 1.087 40.328 39.000 0.402 0.000 1.167 264 F HN -0.220 nan 8.300 nan 0.000 0.529 265 K N 5.115 125.746 120.400 0.386 0.000 2.507 265 K HA 0.538 4.864 4.320 0.009 0.000 0.251 265 K C -1.766 175.013 176.600 0.299 0.000 0.943 265 K CA -0.459 55.933 56.287 0.176 0.000 0.794 265 K CB 1.584 34.147 32.500 0.104 0.000 1.188 265 K HN 0.556 nan 8.250 nan 0.000 0.428 266 F N -0.153 119.802 119.950 0.008 0.000 2.741 266 F HA 0.407 4.940 4.527 0.009 0.000 0.313 266 F C -1.336 174.444 175.800 -0.034 0.000 1.153 266 F CA -1.172 56.832 58.000 0.006 0.000 0.931 266 F CB 1.003 39.974 39.000 -0.048 0.000 1.335 266 F HN 0.391 nan 8.300 nan 0.000 0.460 267 H N 2.714 121.843 119.070 0.099 0.000 2.488 267 H HA 0.516 5.077 4.556 0.009 0.000 0.322 267 H C -1.097 174.221 175.328 -0.017 0.000 1.078 267 H CA -0.573 55.414 56.048 -0.102 0.000 1.260 267 H CB 1.335 30.953 29.762 -0.240 0.000 1.425 267 H HN 0.726 nan 8.280 nan 0.000 0.471 268 I N 5.641 125.906 120.570 -0.508 0.000 2.291 268 I HA 0.220 4.395 4.170 0.009 0.000 0.290 268 I C 1.009 176.950 176.117 -0.294 0.000 1.050 268 I CA -0.270 60.882 61.300 -0.245 0.000 1.245 268 I CB 0.971 38.853 38.000 -0.198 0.000 1.405 268 I HN 0.542 nan 8.210 nan 0.000 0.478 269 G N 5.376 114.181 108.800 0.009 0.000 2.705 269 G HA2 0.740 4.705 3.960 0.009 0.000 0.299 269 G HA3 0.740 4.705 3.960 0.009 0.000 0.299 269 G C -1.563 173.470 174.900 0.222 0.000 1.315 269 G CA -0.388 44.811 45.100 0.164 0.000 1.045 269 G HN 0.405 nan 8.290 nan 0.000 0.517 270 F N 0.571 120.548 119.950 0.045 0.000 2.669 270 F HA 0.435 4.967 4.527 0.009 0.000 0.315 270 F C -1.337 174.533 175.800 0.118 0.000 1.109 270 F CA -0.940 57.093 58.000 0.055 0.000 1.028 270 F CB 1.861 40.889 39.000 0.046 0.000 1.287 270 F HN 0.807 nan 8.300 nan 0.000 0.452 271 N N 2.655 121.175 118.700 -0.300 0.000 2.525 271 N HA 0.254 4.999 4.740 0.009 0.000 0.270 271 N C 0.242 175.609 175.510 -0.238 0.000 1.321 271 N CA -0.504 52.541 53.050 -0.009 0.000 0.797 271 N CB 0.483 39.017 38.487 0.077 0.000 1.529 271 N HN 0.535 nan 8.380 nan 0.000 0.491 272 Y N -0.659 119.490 120.300 -0.251 0.000 2.283 272 Y HA -0.105 4.451 4.550 0.011 0.000 0.285 272 Y C 2.043 177.451 175.900 -0.820 0.000 1.176 272 Y CA 1.627 59.169 58.100 -0.929 0.000 1.229 272 Y CB -0.435 37.116 38.460 -1.516 0.000 0.975 272 Y HN 0.678 nan 8.280 nan 0.000 0.537 273 R N 0.353 119.924 120.500 -1.549 0.000 2.056 273 R HA 0.048 4.394 4.340 0.009 0.000 0.215 273 R C 2.051 177.917 176.300 -0.723 0.000 1.205 273 R CA 1.061 56.395 56.100 -1.276 0.000 1.020 273 R CB -0.029 29.294 30.300 -1.627 0.000 0.911 273 R HN 0.443 nan 8.270 nan 0.000 0.451 274 E N -0.243 119.633 120.200 -0.540 0.000 2.285 274 E HA 0.127 4.482 4.350 0.009 0.000 0.194 274 E C 0.890 177.280 176.600 -0.351 0.000 0.997 274 E CA 0.421 56.630 56.400 -0.317 0.000 0.845 274 E CB 0.353 29.957 29.700 -0.160 0.000 0.782 274 E HN 0.575 nan 8.360 nan 0.000 0.491 275 G N 1.840 110.263 108.800 -0.628 0.000 2.527 275 G HA2 -0.326 3.639 3.960 0.009 0.000 0.262 275 G HA3 -0.326 3.639 3.960 0.009 0.000 0.262 275 G C 0.032 174.470 174.900 -0.771 0.000 1.153 275 G CA -0.226 44.346 45.100 -0.881 0.000 0.954 275 G HN 0.174 nan 8.290 nan 0.000 0.552 276 I N 1.147 121.655 120.570 -0.104 0.000 2.648 276 I HA 0.354 4.530 4.170 0.009 0.000 0.284 276 I C 0.279 176.290 176.117 -0.177 0.000 1.153 276 I CA 0.064 61.401 61.300 0.063 0.000 1.426 276 I CB 0.933 39.041 38.000 0.180 0.000 1.381 276 I HN 0.327 nan 8.210 nan 0.000 0.571 277 V N 7.855 127.663 119.914 -0.177 0.000 2.447 277 V HA 0.326 4.452 4.120 0.009 0.000 0.292 277 V C -0.117 175.835 176.094 -0.237 0.000 1.021 277 V CA -0.532 61.618 62.300 -0.249 0.000 0.850 277 V CB 1.519 33.252 31.823 -0.149 0.000 1.005 277 V HN 0.444 nan 8.190 nan 0.000 0.426 278 L N 4.124 125.107 121.223 -0.400 0.000 2.265 278 L HA 0.652 4.997 4.340 0.009 0.000 0.288 278 L C 0.303 177.064 176.870 -0.182 0.000 1.058 278 L CA 0.230 54.914 54.840 -0.260 0.000 0.809 278 L CB 1.421 43.215 42.059 -0.441 0.000 1.179 278 L HN 0.605 nan 8.230 nan 0.000 0.429 279 S N 0.640 116.316 115.700 -0.039 0.000 2.671 279 S HA 0.280 4.755 4.470 0.009 0.000 0.299 279 S C -0.454 174.161 174.600 0.025 0.000 1.116 279 S CA -0.608 57.516 58.200 -0.126 0.000 0.912 279 S CB 1.704 64.748 63.200 -0.260 0.000 1.130 279 S HN 0.765 nan 8.310 nan 0.000 0.501 280 D N 1.002 121.377 120.400 -0.041 0.000 2.740 280 D HA -0.147 4.498 4.640 0.009 0.000 0.231 280 D C -0.660 175.789 176.300 0.248 0.000 1.194 280 D CA 0.360 54.468 54.000 0.181 0.000 0.673 280 D CB -1.194 39.791 40.800 0.309 0.000 0.995 280 D HN 0.229 nan 8.370 nan 0.000 0.411 281 V N 1.083 121.127 119.914 0.217 0.000 2.498 281 V HA 0.596 4.722 4.120 0.009 0.000 0.279 281 V C 0.872 177.104 176.094 0.230 0.000 1.048 281 V CA 0.311 62.772 62.300 0.268 0.000 0.967 281 V CB 1.496 33.449 31.823 0.216 0.000 0.988 281 V HN 0.525 nan 8.190 nan 0.000 0.473 282 S N 4.264 120.150 115.700 0.311 0.000 2.607 282 S HA 0.739 5.214 4.470 0.009 0.000 0.273 282 S C -1.438 173.360 174.600 0.331 0.000 1.148 282 S CA -0.796 57.561 58.200 0.261 0.000 0.833 282 S CB 1.950 65.269 63.200 0.199 0.000 1.130 282 S HN 0.613 nan 8.310 nan 0.000 0.470 283 Y N 1.857 122.233 120.300 0.128 0.000 2.361 283 Y HA 0.541 5.097 4.550 0.009 0.000 0.337 283 Y C -0.465 175.471 175.900 0.060 0.000 0.965 283 Y CA -0.773 57.340 58.100 0.021 0.000 1.091 283 Y CB 1.603 40.044 38.460 -0.032 0.000 1.182 283 Y HN 0.864 nan 8.280 nan 0.000 0.450 284 N N 4.837 123.276 118.700 -0.434 0.000 2.508 284 N HA 0.012 4.757 4.740 0.009 0.000 0.253 284 N C -1.134 174.266 175.510 -0.184 0.000 1.145 284 N CA 0.105 53.010 53.050 -0.241 0.000 0.973 284 N CB 0.078 38.398 38.487 -0.278 0.000 1.305 284 N HN 0.652 nan 8.380 nan 0.000 0.506 285 D N 2.523 123.028 120.400 0.175 0.000 2.517 285 D HA 0.063 4.708 4.640 0.009 0.000 0.220 285 D C -0.406 175.978 176.300 0.139 0.000 1.158 285 D CA -0.085 54.090 54.000 0.291 0.000 0.992 285 D CB -0.771 40.290 40.800 0.435 0.000 1.058 285 D HN 0.549 nan 8.370 nan 0.000 0.516 286 H N 1.602 120.716 119.070 0.074 0.000 2.506 286 H HA -0.200 4.362 4.556 0.009 0.000 0.323 286 H C 1.499 176.835 175.328 0.013 0.000 1.076 286 H CA 1.013 57.076 56.048 0.025 0.000 1.108 286 H CB -0.986 28.793 29.762 0.029 0.000 1.569 286 H HN 0.681 nan 8.280 nan 0.000 0.399 287 G N 0.066 108.895 108.800 0.048 0.000 2.284 287 G HA2 -0.360 3.605 3.960 0.009 0.000 0.230 287 G HA3 -0.360 3.605 3.960 0.009 0.000 0.230 287 G C 0.309 175.228 174.900 0.031 0.000 1.021 287 G CA 0.087 45.207 45.100 0.034 0.000 0.619 287 G HN 0.758 nan 8.290 nan 0.000 0.510 288 N N 0.890 119.624 118.700 0.056 0.000 2.521 288 N HA 0.407 5.152 4.740 0.009 0.000 0.236 288 N C 0.144 175.692 175.510 0.063 0.000 1.067 288 N CA -0.345 52.733 53.050 0.047 0.000 0.939 288 N CB 0.637 39.152 38.487 0.047 0.000 1.201 288 N HN 0.078 nan 8.380 nan 0.000 0.511 289 V N 4.665 124.605 119.914 0.043 0.000 2.403 289 V HA 0.117 4.242 4.120 0.009 0.000 0.265 289 V C 0.494 176.640 176.094 0.085 0.000 1.034 289 V CA 0.068 62.403 62.300 0.059 0.000 1.036 289 V CB -0.212 31.632 31.823 0.034 0.000 1.032 289 V HN 0.583 nan 8.190 nan 0.000 0.478 290 R N 5.833 126.423 120.500 0.151 0.000 2.338 290 R HA 0.445 4.791 4.340 0.009 0.000 0.317 290 R C -2.762 173.666 176.300 0.213 0.000 0.968 290 R CA -1.872 54.327 56.100 0.166 0.000 0.849 290 R CB 1.507 31.913 30.300 0.177 0.000 1.128 290 R HN 0.396 nan 8.270 nan 0.000 0.448 291 P HA 0.106 nan 4.420 nan 0.000 0.271 291 P C -0.089 177.253 177.300 0.070 0.000 1.218 291 P CA 0.144 63.315 63.100 0.119 0.000 0.780 291 P CB 0.877 32.634 31.700 0.095 0.000 0.901 292 I N 0.387 120.897 120.570 -0.100 0.000 3.623 292 I HA 0.201 4.376 4.170 0.009 0.000 0.253 292 I C -0.040 175.712 176.117 -0.609 0.000 1.144 292 I CA 0.461 61.431 61.300 -0.551 0.000 1.461 292 I CB 0.207 37.642 38.000 -0.942 0.000 1.575 292 I HN 0.131 nan 8.210 nan 0.000 0.445 293 F N -0.089 119.818 119.950 -0.072 0.000 2.551 293 F HA 0.359 4.892 4.527 0.009 0.000 0.316 293 F C 1.019 176.821 175.800 0.003 0.000 1.089 293 F CA -0.934 57.023 58.000 -0.072 0.000 0.915 293 F CB 0.793 39.700 39.000 -0.155 0.000 1.186 293 F HN -0.019 nan 8.300 nan 0.000 0.456 294 H N 1.458 120.604 119.070 0.126 0.000 2.431 294 H HA 0.302 4.863 4.556 0.009 0.000 0.295 294 H C 0.111 175.424 175.328 -0.024 0.000 1.038 294 H CA 0.798 56.865 56.048 0.032 0.000 1.360 294 H CB 0.586 30.326 29.762 -0.038 0.000 1.433 294 H HN 0.577 nan 8.280 nan 0.000 0.536 295 R N 0.458 120.857 120.500 -0.169 0.000 2.594 295 R HA 0.420 4.766 4.340 0.009 0.000 0.265 295 R C -2.120 174.016 176.300 -0.272 0.000 1.070 295 R CA -0.541 55.390 56.100 -0.282 0.000 0.909 295 R CB 2.097 32.209 30.300 -0.314 0.000 1.243 295 R HN 0.236 nan 8.270 nan 0.000 0.455 296 I N 2.408 122.774 120.570 -0.339 0.000 2.692 296 I HA 0.606 4.782 4.170 0.009 0.000 0.293 296 I C -1.616 174.225 176.117 -0.460 0.000 1.200 296 I CA -0.069 60.985 61.300 -0.410 0.000 1.036 296 I CB 2.127 39.826 38.000 -0.501 0.000 1.258 296 I HN 0.943 nan 8.210 nan 0.000 0.421 297 S N 6.080 121.619 115.700 -0.268 0.000 2.656 297 S HA 0.452 4.927 4.470 0.009 0.000 0.265 297 S C -1.805 172.893 174.600 0.163 0.000 1.110 297 S CA -1.065 57.062 58.200 -0.122 0.000 0.821 297 S CB 0.868 63.964 63.200 -0.174 0.000 1.099 297 S HN 0.624 nan 8.310 nan 0.000 0.471 298 L N 2.845 124.225 121.223 0.260 0.000 2.260 298 L HA 0.451 4.796 4.340 0.009 0.000 0.289 298 L C 1.394 178.315 176.870 0.085 0.000 1.057 298 L CA -0.098 54.868 54.840 0.210 0.000 0.811 298 L CB 1.574 43.784 42.059 0.252 0.000 1.184 298 L HN 1.010 nan 8.230 nan 0.000 0.429 299 S N 1.102 116.836 115.700 0.057 0.000 2.524 299 S HA 0.166 4.641 4.470 0.009 0.000 0.216 299 S C 0.338 174.948 174.600 0.016 0.000 0.987 299 S CA -0.091 58.167 58.200 0.096 0.000 0.909 299 S CB 0.382 63.689 63.200 0.178 0.000 0.781 299 S HN 0.690 nan 8.310 nan 0.000 0.521 300 E N -0.170 119.939 120.200 -0.152 0.000 2.393 300 E HA 0.530 4.886 4.350 0.009 0.000 0.278 300 E C -1.528 174.912 176.600 -0.266 0.000 1.171 300 E CA -0.527 55.729 56.400 -0.241 0.000 0.904 300 E CB 0.843 30.320 29.700 -0.372 0.000 1.309 300 E HN 0.451 nan 8.360 nan 0.000 0.423 301 M N 1.159 120.707 119.600 -0.088 0.000 2.773 301 M HA 0.709 5.194 4.480 0.009 0.000 0.270 301 M C -1.518 174.878 176.300 0.159 0.000 1.238 301 M CA -1.047 54.245 55.300 -0.013 0.000 0.832 301 M CB 2.057 34.488 32.600 -0.282 0.000 1.672 301 M HN 0.572 nan 8.290 nan 0.000 0.480 302 I N 1.298 121.912 120.570 0.073 0.000 2.743 302 I HA 0.548 4.723 4.170 0.009 0.000 0.292 302 I C -1.878 174.198 176.117 -0.068 0.000 1.343 302 I CA -0.774 60.550 61.300 0.041 0.000 1.038 302 I CB 2.432 40.464 38.000 0.053 0.000 1.311 302 I HN 0.622 nan 8.210 nan 0.000 0.426 303 V N 8.779 128.688 119.914 -0.009 0.000 2.225 303 V HA 0.345 4.471 4.120 0.009 0.000 0.264 303 V C -2.246 173.877 176.094 0.048 0.000 1.067 303 V CA -1.277 60.983 62.300 -0.067 0.000 0.903 303 V CB 0.788 32.598 31.823 -0.021 0.000 1.136 303 V HN 0.523 nan 8.190 nan 0.000 0.456 304 P HA 0.196 nan 4.420 nan 0.000 0.276 304 P C -0.914 176.380 177.300 -0.010 0.000 1.253 304 P CA -0.067 63.074 63.100 0.069 0.000 0.766 304 P CB 0.639 32.318 31.700 -0.037 0.000 0.845 305 Y N 1.496 121.866 120.300 0.115 0.000 2.307 305 Y HA 0.402 4.958 4.550 0.009 0.000 0.324 305 Y C 1.958 177.863 175.900 0.008 0.000 1.238 305 Y CA 0.487 58.654 58.100 0.112 0.000 1.280 305 Y CB 0.819 39.352 38.460 0.122 0.000 1.248 305 Y HN 0.466 nan 8.280 nan 0.000 0.508 306 G N 0.586 109.441 108.800 0.091 0.000 3.707 306 G HA2 0.066 4.032 3.960 0.009 0.000 0.286 306 G HA3 0.066 4.032 3.960 0.009 0.000 0.286 306 G C -0.188 174.627 174.900 -0.141 0.000 1.112 306 G CA -0.194 44.901 45.100 -0.009 0.000 0.861 306 G HN 0.442 nan 8.290 nan 0.000 0.534 307 S N 1.302 116.859 115.700 -0.238 0.000 2.438 307 S HA 0.455 4.930 4.470 0.009 0.000 0.293 307 S C -0.707 173.612 174.600 -0.469 0.000 1.141 307 S CA -1.452 56.452 58.200 -0.494 0.000 1.080 307 S CB 1.822 64.536 63.200 -0.810 0.000 0.978 307 S HN 0.103 nan 8.310 nan 0.000 0.479 308 P HA 0.014 nan 4.420 nan 0.000 0.229 308 P C -0.216 176.950 177.300 -0.224 0.000 1.160 308 P CA 0.364 63.197 63.100 -0.446 0.000 0.777 308 P CB 0.094 31.450 31.700 -0.573 0.000 0.814 309 E N 0.022 120.124 120.200 -0.162 0.000 2.384 309 E HA 0.124 4.479 4.350 0.009 0.000 0.266 309 E C -0.297 176.237 176.600 -0.110 0.000 1.012 309 E CA -0.662 55.717 56.400 -0.035 0.000 0.901 309 E CB 0.194 29.934 29.700 0.067 0.000 0.967 309 E HN 0.052 nan 8.360 nan 0.000 0.435 310 F N 5.334 125.152 119.950 -0.220 0.000 2.529 310 F HA 0.090 4.622 4.527 0.008 0.000 0.365 310 F C -1.346 174.168 175.800 -0.476 0.000 1.102 310 F CA -1.546 56.292 58.000 -0.270 0.000 1.271 310 F CB 0.856 39.763 39.000 -0.155 0.000 1.120 310 F HN 0.353 nan 8.300 nan 0.000 0.579 311 P HA 0.124 nan 4.420 nan 0.000 0.248 311 P C -0.116 176.728 177.300 -0.761 0.000 1.708 311 P CA 0.296 62.602 63.100 -1.323 0.000 1.062 311 P CB -0.415 30.601 31.700 -1.139 0.000 1.562 312 H N 0.235 119.069 119.070 -0.394 0.000 2.561 312 H HA -0.095 4.466 4.556 0.009 0.000 0.278 312 H C 1.532 176.751 175.328 -0.181 0.000 1.014 312 H CA 0.719 56.590 56.048 -0.295 0.000 1.211 312 H CB -0.142 29.446 29.762 -0.290 0.000 1.365 312 H HN 0.258 nan 8.280 nan 0.000 0.594 313 Q N 0.602 120.332 119.800 -0.118 0.000 2.291 313 Q HA -0.033 4.313 4.340 0.009 0.000 0.205 313 Q C 1.445 177.517 176.000 0.120 0.000 0.970 313 Q CA 0.766 56.552 55.803 -0.028 0.000 0.876 313 Q CB -0.025 28.674 28.738 -0.065 0.000 0.935 313 Q HN 0.376 nan 8.270 nan 0.000 0.455 314 R N 0.930 121.441 120.500 0.018 0.000 2.323 314 R HA 0.087 4.432 4.340 0.009 0.000 0.198 314 R C -0.068 176.311 176.300 0.132 0.000 0.988 314 R CA 0.278 56.436 56.100 0.095 0.000 1.041 314 R CB 0.114 30.373 30.300 -0.069 0.000 0.926 314 R HN 0.151 nan 8.270 nan 0.000 0.476 315 K N 1.943 122.459 120.400 0.192 0.000 2.290 315 K HA 0.083 4.409 4.320 0.009 0.000 0.250 315 K C -0.434 176.492 176.600 0.544 0.000 1.092 315 K CA -0.109 56.341 56.287 0.272 0.000 1.006 315 K CB 0.479 32.935 32.500 -0.073 0.000 1.549 315 K HN 0.288 nan 8.250 nan 0.000 0.436 316 H N 0.115 119.419 119.070 0.391 0.000 3.225 316 H HA 0.193 4.754 4.556 0.009 0.000 0.205 316 H C -0.848 174.600 175.328 0.201 0.000 1.314 316 H CA -0.691 55.512 56.048 0.257 0.000 1.336 316 H CB -0.703 29.129 29.762 0.117 0.000 2.276 316 H HN 0.341 nan 8.280 nan 0.000 0.535 317 A N 1.826 124.732 122.820 0.144 0.000 2.498 317 A HA 0.386 4.711 4.320 0.009 0.000 0.239 317 A C 0.116 177.696 177.584 -0.007 0.000 1.068 317 A CA -0.270 51.760 52.037 -0.013 0.000 0.766 317 A CB 0.261 19.201 19.000 -0.100 0.000 1.003 317 A HN 0.462 nan 8.150 nan 0.000 0.497 318 L N 3.143 124.325 121.223 -0.069 0.000 2.426 318 L HA 0.234 4.579 4.340 0.009 0.000 0.255 318 L C 0.597 177.393 176.870 -0.124 0.000 1.080 318 L CA -0.093 54.729 54.840 -0.031 0.000 0.960 318 L CB 0.803 42.880 42.059 0.030 0.000 1.326 318 L HN 0.751 nan 8.230 nan 0.000 0.441 319 D N 1.292 121.657 120.400 -0.059 0.000 2.149 319 D HA -0.234 4.412 4.640 0.009 0.000 0.194 319 D C 1.989 178.219 176.300 -0.116 0.000 1.001 319 D CA 1.733 55.751 54.000 0.030 0.000 0.849 319 D CB 0.372 41.225 40.800 0.089 0.000 0.939 319 D HN 0.496 nan 8.370 nan 0.000 0.449 320 I N 0.724 121.179 120.570 -0.192 0.000 2.202 320 I HA -0.139 4.036 4.170 0.009 0.000 0.242 320 I C 2.557 178.476 176.117 -0.330 0.000 1.091 320 I CA 1.348 62.472 61.300 -0.294 0.000 1.368 320 I CB -0.383 37.467 38.000 -0.249 0.000 1.058 320 I HN 0.004 nan 8.210 nan 0.000 0.410 321 G N -0.181 108.458 108.800 -0.268 0.000 2.511 321 G HA2 -0.104 3.861 3.960 0.009 0.000 0.217 321 G HA3 -0.104 3.861 3.960 0.009 0.000 0.217 321 G C 1.394 176.150 174.900 -0.241 0.000 1.133 321 G CA 0.200 45.130 45.100 -0.283 0.000 0.792 321 G HN 0.411 nan 8.290 nan 0.000 0.539 322 E N -1.518 118.497 120.200 -0.309 0.000 2.473 322 E HA 0.170 4.526 4.350 0.009 0.000 0.204 322 E C 0.733 177.010 176.600 -0.538 0.000 0.994 322 E CA 0.122 56.250 56.400 -0.454 0.000 0.945 322 E CB 0.438 29.744 29.700 -0.655 0.000 0.990 322 E HN 0.544 nan 8.360 nan 0.000 0.493 323 Y N -0.388 119.867 120.300 -0.076 0.000 2.731 323 Y HA 0.342 4.897 4.550 0.009 0.000 0.269 323 Y C 0.783 176.661 175.900 -0.037 0.000 1.156 323 Y CA 0.264 58.343 58.100 -0.036 0.000 1.191 323 Y CB 1.013 39.432 38.460 -0.068 0.000 1.382 323 Y HN -0.044 nan 8.280 nan 0.000 0.477 324 G N 0.753 109.500 108.800 -0.088 0.000 3.421 324 G HA2 0.166 4.132 3.960 0.009 0.000 0.686 324 G HA3 0.166 4.132 3.960 0.009 0.000 0.686 324 G C 0.580 175.207 174.900 -0.455 0.000 1.056 324 G CA -0.265 44.631 45.100 -0.339 0.000 0.891 324 G HN 0.655 nan 8.290 nan 0.000 0.514 325 A N 1.231 123.642 122.820 -0.681 0.000 2.121 325 A HA 0.361 4.687 4.320 0.009 0.000 0.218 325 A C 2.511 179.845 177.584 -0.416 0.000 1.154 325 A CA 2.390 53.858 52.037 -0.949 0.000 0.679 325 A CB -0.284 18.217 19.000 -0.832 0.000 0.795 325 A HN 2.123 nan 8.150 nan 0.000 0.458 326 G N -1.486 107.079 108.800 -0.393 0.000 2.439 326 G HA2 -0.053 3.912 3.960 0.009 0.000 0.212 326 G HA3 -0.053 3.912 3.960 0.009 0.000 0.212 326 G C 1.359 176.356 174.900 0.161 0.000 1.199 326 G CA 0.766 45.811 45.100 -0.091 0.000 0.807 326 G HN 0.405 nan 8.290 nan 0.000 0.537 327 Y N 0.790 120.923 120.300 -0.279 0.000 2.241 327 Y HA 0.011 4.565 4.550 0.008 0.000 0.286 327 Y C 2.790 178.717 175.900 0.044 0.000 1.166 327 Y CA 0.737 58.699 58.100 -0.230 0.000 1.203 327 Y CB -0.309 38.020 38.460 -0.219 0.000 0.977 327 Y HN 0.145 nan 8.280 nan 0.000 0.529 328 M N -1.278 118.437 119.600 0.191 0.000 2.495 328 M HA 0.035 4.521 4.480 0.009 0.000 0.237 328 M C 0.752 177.241 176.300 0.315 0.000 1.131 328 M CA 0.143 55.571 55.300 0.214 0.000 1.032 328 M CB 0.012 32.723 32.600 0.185 0.000 1.513 328 M HN -0.154 nan 8.290 nan 0.000 0.488 329 T N 2.146 116.914 114.554 0.356 0.000 2.940 329 T HA 0.076 4.431 4.350 0.009 0.000 0.309 329 T C 0.185 175.058 174.700 0.288 0.000 1.056 329 T CA -0.011 62.327 62.100 0.396 0.000 1.137 329 T CB 0.247 69.410 68.868 0.492 0.000 0.976 329 T HN 0.216 nan 8.240 nan 0.000 0.547 330 N N 5.031 123.874 118.700 0.239 0.000 2.529 330 N HA 0.318 5.063 4.740 0.009 0.000 0.278 330 N C -2.633 172.941 175.510 0.106 0.000 1.146 330 N CA -1.731 51.412 53.050 0.156 0.000 0.980 330 N CB 0.841 39.404 38.487 0.126 0.000 1.124 330 N HN 0.346 nan 8.380 nan 0.000 0.458 331 P HA 0.134 nan 4.420 nan 0.000 0.280 331 P C 0.387 177.688 177.300 0.001 0.000 1.300 331 P CA -0.337 62.766 63.100 0.005 0.000 0.785 331 P CB 0.587 32.281 31.700 -0.010 0.000 0.874 332 L N 2.573 123.800 121.223 0.007 0.000 2.376 332 L HA -0.088 4.258 4.340 0.009 0.000 0.219 332 L C 2.243 179.127 176.870 0.024 0.000 1.133 332 L CA 1.362 56.239 54.840 0.061 0.000 0.816 332 L CB -1.573 40.597 42.059 0.186 0.000 0.933 332 L HN 0.328 nan 8.230 nan 0.000 0.449 333 S N -0.244 115.367 115.700 -0.149 0.000 2.444 333 S HA -0.244 4.231 4.470 0.009 0.000 0.225 333 S C 2.056 176.637 174.600 -0.032 0.000 1.042 333 S CA 1.776 59.867 58.200 -0.180 0.000 1.132 333 S CB -0.389 62.649 63.200 -0.270 0.000 1.099 333 S HN 0.336 nan 8.310 nan 0.000 0.417 334 L N 0.874 122.078 121.223 -0.032 0.000 1.963 334 L HA -0.160 4.185 4.340 0.009 0.000 0.220 334 L C 2.797 179.679 176.870 0.020 0.000 1.076 334 L CA 1.603 56.443 54.840 -0.001 0.000 0.772 334 L CB -1.354 40.707 42.059 0.002 0.000 0.892 334 L HN 0.624 nan 8.230 nan 0.000 0.435 335 G N -1.159 107.657 108.800 0.027 0.000 2.605 335 G HA2 -0.314 3.652 3.960 0.009 0.000 0.222 335 G HA3 -0.314 3.652 3.960 0.009 0.000 0.222 335 G C 0.859 175.777 174.900 0.030 0.000 1.092 335 G CA 0.811 45.929 45.100 0.031 0.000 0.730 335 G HN 0.726 nan 8.290 nan 0.000 0.588 336 C N -0.640 118.683 119.300 0.038 0.000 4.533 336 C HA -0.148 4.318 4.460 0.009 0.000 0.304 336 C C 1.100 176.110 174.990 0.033 0.000 1.316 336 C CA 0.079 59.117 59.018 0.033 0.000 2.053 336 C CB -2.632 25.120 27.740 0.019 0.000 1.242 336 C HN 0.646 nan 8.230 nan 0.000 0.758 337 D N -0.565 119.868 120.400 0.055 0.000 2.213 337 D HA 0.128 4.773 4.640 0.009 0.000 0.205 337 D C 0.665 177.001 176.300 0.060 0.000 0.961 337 D CA 0.904 54.945 54.000 0.068 0.000 0.853 337 D CB 0.134 40.986 40.800 0.086 0.000 0.967 337 D HN 0.677 nan 8.370 nan 0.000 0.496 338 c N 1.795 120.414 118.600 0.031 0.000 2.291 338 c HA 0.416 4.992 4.570 0.009 0.000 0.322 338 c C 0.030 174.024 174.090 -0.162 0.000 1.205 338 c CA -1.428 54.837 56.329 -0.107 0.000 1.495 338 c CB 0.043 42.515 42.510 -0.063 0.000 2.127 338 c HN 0.081 nan 8.230 nan 0.000 0.452 339 K N 2.283 122.539 120.400 -0.241 0.000 2.227 339 K HA 0.627 4.952 4.320 0.009 0.000 0.280 339 K C 0.672 177.175 176.600 -0.162 0.000 1.041 339 K CA 0.777 56.975 56.287 -0.148 0.000 0.905 339 K CB 0.965 33.414 32.500 -0.085 0.000 1.068 339 K HN 1.076 nan 8.250 nan 0.000 0.470 340 G N 0.815 109.574 108.800 -0.068 0.000 2.342 340 G HA2 -0.194 3.771 3.960 0.009 0.000 0.220 340 G HA3 -0.194 3.771 3.960 0.009 0.000 0.220 340 G C -1.225 173.677 174.900 0.002 0.000 1.243 340 G CA -0.851 44.238 45.100 -0.018 0.000 1.083 340 G HN 0.384 nan 8.290 nan 0.000 0.500 341 V N 2.393 122.332 119.914 0.040 0.000 2.338 341 V HA 0.369 4.494 4.120 0.009 0.000 0.255 341 V C 0.593 176.740 176.094 0.088 0.000 1.082 341 V CA -0.418 61.910 62.300 0.047 0.000 0.951 341 V CB 0.227 32.070 31.823 0.032 0.000 1.102 341 V HN 0.532 nan 8.190 nan 0.000 0.489 342 I N 3.908 124.483 120.570 0.008 0.000 2.577 342 I HA 0.420 4.595 4.170 0.009 0.000 0.300 342 I C 0.172 176.235 176.117 -0.090 0.000 0.990 342 I CA -0.313 60.925 61.300 -0.104 0.000 1.283 342 I CB 1.040 38.762 38.000 -0.464 0.000 1.411 342 I HN 0.518 nan 8.210 nan 0.000 0.515 343 H N 5.167 124.127 119.070 -0.182 0.000 2.589 343 H HA 0.406 4.967 4.556 0.009 0.000 0.335 343 H C -1.607 173.576 175.328 -0.242 0.000 1.019 343 H CA -0.325 55.676 56.048 -0.078 0.000 1.213 343 H CB 1.070 30.906 29.762 0.122 0.000 1.472 343 H HN 0.367 nan 8.280 nan 0.000 0.508 344 Y N 3.503 123.763 120.300 -0.067 0.000 2.488 344 Y HA 0.447 5.003 4.550 0.009 0.000 0.325 344 Y C 0.046 175.941 175.900 -0.008 0.000 1.204 344 Y CA -0.759 57.334 58.100 -0.012 0.000 1.229 344 Y CB 1.681 40.103 38.460 -0.063 0.000 1.274 344 Y HN 0.400 nan 8.280 nan 0.000 0.493 345 L N 2.104 123.414 121.223 0.145 0.000 2.408 345 L HA 0.417 4.763 4.340 0.009 0.000 0.268 345 L C -1.181 175.609 176.870 -0.133 0.000 0.986 345 L CA -0.953 53.887 54.840 0.000 0.000 0.820 345 L CB 2.010 44.039 42.059 -0.049 0.000 1.303 345 L HN 0.586 nan 8.230 nan 0.000 0.411 346 D N 1.432 121.716 120.400 -0.193 0.000 2.340 346 D HA 0.672 5.318 4.640 0.009 0.000 0.251 346 D C -0.317 175.632 176.300 -0.585 0.000 1.080 346 D CA -0.150 53.642 54.000 -0.347 0.000 0.971 346 D CB 2.158 42.775 40.800 -0.305 0.000 1.137 346 D HN 0.560 nan 8.370 nan 0.000 0.475 347 A N 0.833 123.218 122.820 -0.727 0.000 2.365 347 A HA 0.588 4.913 4.320 0.009 0.000 0.318 347 A C -1.073 175.874 177.584 -1.061 0.000 1.091 347 A CA -0.662 50.888 52.037 -0.812 0.000 0.763 347 A CB 1.104 19.699 19.000 -0.674 0.000 1.248 347 A HN 0.546 nan 8.150 nan 0.000 0.442 348 H N 1.324 120.097 119.070 -0.496 0.000 2.609 348 H HA 0.653 5.214 4.556 0.009 0.000 0.344 348 H C -1.344 173.796 175.328 -0.313 0.000 1.040 348 H CA -0.229 55.588 56.048 -0.385 0.000 1.216 348 H CB 1.192 30.880 29.762 -0.124 0.000 1.529 348 H HN 0.534 nan 8.280 nan 0.000 0.519 349 F N -0.092 120.025 119.950 0.279 0.000 2.814 349 F HA 0.503 5.035 4.527 0.009 0.000 0.353 349 F C 0.694 176.603 175.800 0.182 0.000 1.177 349 F CA -1.117 57.043 58.000 0.266 0.000 1.036 349 F CB 0.848 40.105 39.000 0.428 0.000 1.455 349 F HN 0.314 nan 8.300 nan 0.000 0.520 350 S N -0.378 115.565 115.700 0.406 0.000 2.536 350 S HA 0.600 5.075 4.470 0.009 0.000 0.298 350 S C -1.377 173.333 174.600 0.185 0.000 1.083 350 S CA -0.724 57.591 58.200 0.193 0.000 0.995 350 S CB 0.875 64.120 63.200 0.076 0.000 1.058 350 S HN 0.600 nan 8.310 nan 0.000 0.488 351 D N 1.892 122.360 120.400 0.113 0.000 2.478 351 D HA 0.327 4.973 4.640 0.009 0.000 0.263 351 D C 1.164 177.537 176.300 0.120 0.000 1.153 351 D CA -0.762 53.294 54.000 0.093 0.000 1.038 351 D CB 0.284 41.128 40.800 0.072 0.000 1.120 351 D HN 0.500 nan 8.370 nan 0.000 0.564 352 R N -0.567 119.994 120.500 0.101 0.000 2.117 352 R HA -0.162 4.184 4.340 0.009 0.000 0.243 352 R C 1.651 178.081 176.300 0.217 0.000 1.143 352 R CA 1.576 57.756 56.100 0.133 0.000 0.968 352 R CB -0.563 29.775 30.300 0.065 0.000 0.863 352 R HN 0.594 nan 8.270 nan 0.000 0.444 353 A N -0.717 122.197 122.820 0.157 0.000 2.238 353 A HA 0.175 4.500 4.320 0.009 0.000 0.208 353 A C 1.268 178.938 177.584 0.143 0.000 1.177 353 A CA 0.880 53.014 52.037 0.163 0.000 0.804 353 A CB -0.026 19.023 19.000 0.083 0.000 0.823 353 A HN 0.557 nan 8.150 nan 0.000 0.482 354 G N -0.653 108.169 108.800 0.036 0.000 2.141 354 G HA2 -0.181 3.784 3.960 0.009 0.000 0.242 354 G HA3 -0.181 3.784 3.960 0.009 0.000 0.242 354 G C -0.422 174.336 174.900 -0.237 0.000 0.982 354 G CA 0.166 45.014 45.100 -0.420 0.000 0.662 354 G HN 0.486 nan 8.290 nan 0.000 0.527 355 D N 1.507 121.858 120.400 -0.081 0.000 2.175 355 D HA 0.451 5.097 4.640 0.009 0.000 0.248 355 D C -2.080 174.212 176.300 -0.012 0.000 1.047 355 D CA -1.180 52.793 54.000 -0.046 0.000 0.883 355 D CB 1.896 42.690 40.800 -0.009 0.000 1.180 355 D HN 0.150 nan 8.370 nan 0.000 0.438 356 P HA 0.175 nan 4.420 nan 0.000 0.271 356 P C -0.337 177.001 177.300 0.064 0.000 1.216 356 P CA -0.187 62.929 63.100 0.027 0.000 0.776 356 P CB 0.780 32.468 31.700 -0.021 0.000 0.881 357 I N -0.945 119.699 120.570 0.123 0.000 2.646 357 I HA 0.615 4.790 4.170 0.009 0.000 0.299 357 I C -0.707 175.475 176.117 0.110 0.000 1.036 357 I CA -0.790 60.586 61.300 0.127 0.000 1.074 357 I CB 2.408 40.514 38.000 0.177 0.000 1.258 357 I HN 0.066 nan 8.210 nan 0.000 0.430 358 T N 4.457 119.060 114.554 0.081 0.000 2.824 358 T HA 0.425 4.781 4.350 0.009 0.000 0.282 358 T C -0.678 173.989 174.700 -0.055 0.000 0.993 358 T CA -0.553 61.556 62.100 0.016 0.000 0.967 358 T CB 2.067 71.006 68.868 0.117 0.000 0.960 358 T HN 0.593 nan 8.240 nan 0.000 0.441 359 V N 4.518 124.327 119.914 -0.174 0.000 2.357 359 V HA 0.527 4.652 4.120 0.009 0.000 0.284 359 V C -0.371 175.620 176.094 -0.171 0.000 1.018 359 V CA -0.810 61.436 62.300 -0.091 0.000 0.841 359 V CB 0.798 32.637 31.823 0.025 0.000 0.991 359 V HN 0.631 nan 8.190 nan 0.000 0.437 360 K N 4.643 124.970 120.400 -0.121 0.000 2.295 360 K HA 0.258 4.583 4.320 0.009 0.000 0.270 360 K C 0.567 177.065 176.600 -0.169 0.000 1.011 360 K CA 0.388 56.586 56.287 -0.149 0.000 0.953 360 K CB 0.169 32.595 32.500 -0.124 0.000 0.956 360 K HN 0.949 nan 8.250 nan 0.000 0.477 361 N N 0.530 119.113 118.700 -0.194 0.000 2.705 361 N HA -0.270 4.476 4.740 0.009 0.000 0.255 361 N C 0.419 175.892 175.510 -0.063 0.000 1.008 361 N CA 0.332 53.278 53.050 -0.174 0.000 0.742 361 N CB -0.662 37.513 38.487 -0.520 0.000 0.906 361 N HN 0.720 nan 8.380 nan 0.000 0.541 362 A N -0.568 122.167 122.820 -0.142 0.000 1.970 362 A HA 0.169 4.494 4.320 0.009 0.000 0.216 362 A C 0.873 178.391 177.584 -0.111 0.000 1.170 362 A CA 1.056 52.984 52.037 -0.183 0.000 0.645 362 A CB 0.674 19.374 19.000 -0.500 0.000 0.816 362 A HN 0.187 nan 8.150 nan 0.000 0.447 363 V N -0.268 119.596 119.914 -0.085 0.000 2.656 363 V HA 0.430 4.555 4.120 0.009 0.000 0.307 363 V C -0.296 175.869 176.094 0.118 0.000 1.051 363 V CA -0.766 61.546 62.300 0.020 0.000 0.893 363 V CB 1.156 32.955 31.823 -0.039 0.000 0.999 363 V HN 0.572 nan 8.190 nan 0.000 0.426 364 c N 5.001 123.665 118.600 0.108 0.000 2.507 364 c HA 0.894 5.470 4.570 0.009 0.000 0.319 364 c C -0.668 173.426 174.090 0.007 0.000 1.208 364 c CA -0.741 55.585 56.329 -0.004 0.000 1.619 364 c CB 0.333 42.821 42.510 -0.037 0.000 2.230 364 c HN 0.783 nan 8.230 nan 0.000 0.492 365 I N 5.628 126.158 120.570 -0.068 0.000 2.466 365 I HA 0.614 4.790 4.170 0.009 0.000 0.289 365 I C -0.196 175.885 176.117 -0.060 0.000 1.026 365 I CA -0.078 61.128 61.300 -0.156 0.000 1.078 365 I CB 1.612 39.397 38.000 -0.359 0.000 1.249 365 I HN 0.976 nan 8.210 nan 0.000 0.429 366 H N 4.467 123.417 119.070 -0.199 0.000 2.981 366 H HA 0.519 5.080 4.556 0.009 0.000 0.327 366 H C -1.990 173.327 175.328 -0.019 0.000 1.342 366 H CA -1.011 55.048 56.048 0.020 0.000 1.123 366 H CB 1.717 31.500 29.762 0.035 0.000 1.851 366 H HN 0.641 nan 8.280 nan 0.000 0.531 367 E N 1.054 121.332 120.200 0.129 0.000 2.256 367 E HA 0.541 4.897 4.350 0.009 0.000 0.267 367 E C -1.089 175.590 176.600 0.132 0.000 0.892 367 E CA -0.906 55.491 56.400 -0.006 0.000 0.775 367 E CB 3.062 32.873 29.700 0.185 0.000 1.207 367 E HN 0.762 nan 8.360 nan 0.000 0.420 368 E N 1.517 121.762 120.200 0.076 0.000 2.433 368 E HA 0.284 4.639 4.350 0.009 0.000 0.278 368 E C -1.430 175.230 176.600 0.100 0.000 0.976 368 E CA -1.033 55.441 56.400 0.123 0.000 0.793 368 E CB 1.383 31.172 29.700 0.150 0.000 1.311 368 E HN 0.486 nan 8.360 nan 0.000 0.460 369 D N -0.030 120.422 120.400 0.087 0.000 2.423 369 D HA 0.059 4.705 4.640 0.009 0.000 0.238 369 D C -0.610 175.721 176.300 0.052 0.000 1.142 369 D CA 0.405 54.447 54.000 0.070 0.000 0.884 369 D CB 0.807 41.636 40.800 0.049 0.000 1.199 369 D HN 0.504 nan 8.370 nan 0.000 0.438 370 D N 2.056 122.485 120.400 0.049 0.000 2.908 370 D HA 0.312 4.958 4.640 0.009 0.000 0.361 370 D C 0.486 176.796 176.300 0.017 0.000 1.416 370 D CA 0.528 54.548 54.000 0.032 0.000 0.796 370 D CB -0.115 40.716 40.800 0.051 0.000 1.185 370 D HN 0.659 nan 8.370 nan 0.000 0.451 371 G N 0.357 109.161 108.800 0.007 0.000 2.539 371 G HA2 -0.266 3.700 3.960 0.009 0.000 0.256 371 G HA3 -0.266 3.700 3.960 0.009 0.000 0.256 371 G C -0.318 174.569 174.900 -0.021 0.000 1.233 371 G CA -0.055 45.042 45.100 -0.006 0.000 0.936 371 G HN 0.333 nan 8.290 nan 0.000 0.571 372 L N 0.485 121.692 121.223 -0.027 0.000 2.326 372 L HA 0.475 4.820 4.340 0.009 0.000 0.278 372 L C 1.601 178.427 176.870 -0.074 0.000 1.092 372 L CA -0.793 54.012 54.840 -0.058 0.000 0.810 372 L CB 1.290 43.329 42.059 -0.033 0.000 1.153 372 L HN 0.548 nan 8.230 nan 0.000 0.439 373 L N 3.728 124.831 121.223 -0.200 0.000 2.168 373 L HA 0.277 4.622 4.340 0.009 0.000 0.203 373 L C -0.167 176.641 176.870 -0.103 0.000 1.078 373 L CA 1.315 56.017 54.840 -0.229 0.000 0.780 373 L CB 0.177 41.931 42.059 -0.509 0.000 0.939 373 L HN 0.592 nan 8.230 nan 0.000 0.451 374 F N -2.629 117.342 119.950 0.035 0.000 2.769 374 F HA 0.561 5.094 4.527 0.009 0.000 0.313 374 F C -0.806 175.022 175.800 0.047 0.000 1.146 374 F CA -1.747 56.275 58.000 0.036 0.000 0.934 374 F CB 0.460 39.478 39.000 0.030 0.000 1.283 374 F HN -0.160 nan 8.300 nan 0.000 0.443 375 K N 0.767 121.377 120.400 0.350 0.000 2.575 375 K HA 0.650 4.975 4.320 0.009 0.000 0.279 375 K C -2.526 174.229 176.600 0.258 0.000 0.969 375 K CA -0.895 55.543 56.287 0.252 0.000 0.868 375 K CB 2.454 35.024 32.500 0.117 0.000 1.457 375 K HN 1.135 nan 8.250 nan 0.000 0.426 376 H N -0.139 118.995 119.070 0.108 0.000 3.151 376 H HA 0.435 4.997 4.556 0.009 0.000 0.333 376 H C -2.047 173.335 175.328 0.089 0.000 1.093 376 H CA -0.266 55.829 56.048 0.078 0.000 1.342 376 H CB 1.826 31.631 29.762 0.071 0.000 1.983 376 H HN 0.523 nan 8.280 nan 0.000 0.503 377 S N 3.189 118.479 115.700 -0.684 0.000 2.548 377 S HA 0.245 4.721 4.470 0.009 0.000 0.286 377 S C -1.301 173.104 174.600 -0.326 0.000 1.098 377 S CA -0.905 57.093 58.200 -0.336 0.000 0.930 377 S CB 1.710 64.856 63.200 -0.090 0.000 1.070 377 S HN 0.658 nan 8.310 nan 0.000 0.480 378 D N 1.672 122.039 120.400 -0.054 0.000 2.313 378 D HA 0.221 4.866 4.640 0.009 0.000 0.239 378 D C 0.918 177.211 176.300 -0.012 0.000 1.142 378 D CA -0.823 53.154 54.000 -0.039 0.000 0.847 378 D CB 0.532 41.270 40.800 -0.102 0.000 1.082 378 D HN 0.443 nan 8.370 nan 0.000 0.480 379 F N 3.879 123.870 119.950 0.069 0.000 2.269 379 F HA -0.021 4.511 4.527 0.009 0.000 0.301 379 F C 1.869 177.523 175.800 -0.242 0.000 1.082 379 F CA 0.481 58.338 58.000 -0.239 0.000 1.360 379 F CB -0.411 38.538 39.000 -0.084 0.000 1.041 379 F HN 0.225 nan 8.300 nan 0.000 0.512 380 R N 1.017 120.945 120.500 -0.954 0.000 2.119 380 R HA -0.189 4.156 4.340 0.009 0.000 0.246 380 R C 0.575 176.717 176.300 -0.265 0.000 1.146 380 R CA 1.827 57.568 56.100 -0.598 0.000 0.962 380 R CB -0.893 29.053 30.300 -0.589 0.000 0.863 380 R HN 0.568 nan 8.270 nan 0.000 0.442 381 D N -1.323 118.944 120.400 -0.222 0.000 2.755 381 D HA 0.030 4.675 4.640 0.009 0.000 0.257 381 D C -0.386 175.827 176.300 -0.144 0.000 1.291 381 D CA -0.448 53.471 54.000 -0.135 0.000 0.836 381 D CB -0.327 40.423 40.800 -0.084 0.000 1.059 381 D HN -0.018 nan 8.370 nan 0.000 0.486 382 N N 0.923 119.465 118.700 -0.264 0.000 2.740 382 N HA -0.259 4.487 4.740 0.009 0.000 0.248 382 N C -0.649 174.657 175.510 -0.340 0.000 1.062 382 N CA 0.676 53.470 53.050 -0.426 0.000 0.704 382 N CB -0.928 37.435 38.487 -0.207 0.000 0.968 382 N HN 0.331 nan 8.380 nan 0.000 0.547 383 F N -4.410 115.544 119.950 0.006 0.000 2.840 383 F HA -0.327 4.205 4.527 0.009 0.000 0.310 383 F C 1.665 177.470 175.800 0.010 0.000 0.688 383 F CA 0.802 58.798 58.000 -0.007 0.000 1.286 383 F CB -2.164 36.837 39.000 0.003 0.000 1.612 383 F HN 0.286 nan 8.300 nan 0.000 0.335 384 A N -1.121 121.776 122.820 0.128 0.000 1.969 384 A HA 0.014 4.339 4.320 0.009 0.000 0.218 384 A C 1.430 179.089 177.584 0.124 0.000 1.169 384 A CA 1.845 53.952 52.037 0.117 0.000 0.635 384 A CB -0.397 18.638 19.000 0.058 0.000 0.810 384 A HN 0.342 nan 8.150 nan 0.000 0.445 385 T N 0.825 115.426 114.554 0.080 0.000 2.761 385 T HA 0.475 4.830 4.350 0.009 0.000 0.296 385 T C -0.300 174.451 174.700 0.085 0.000 0.934 385 T CA 0.525 62.659 62.100 0.056 0.000 1.091 385 T CB 0.463 69.338 68.868 0.010 0.000 0.896 385 T HN 0.324 nan 8.240 nan 0.000 0.515 386 S N 3.351 119.115 115.700 0.107 0.000 2.558 386 S HA 0.655 5.130 4.470 0.009 0.000 0.277 386 S C -2.006 172.682 174.600 0.147 0.000 1.143 386 S CA -0.882 57.397 58.200 0.131 0.000 0.865 386 S CB 1.009 64.332 63.200 0.204 0.000 1.102 386 S HN 0.685 nan 8.310 nan 0.000 0.454 387 L N 3.931 125.248 121.223 0.157 0.000 2.436 387 L HA 0.896 5.242 4.340 0.009 0.000 0.268 387 L C -1.827 175.168 176.870 0.209 0.000 0.974 387 L CA -0.522 54.418 54.840 0.168 0.000 0.826 387 L CB 1.801 43.954 42.059 0.156 0.000 1.291 387 L HN 0.563 nan 8.230 nan 0.000 0.406 388 V N 2.899 122.930 119.914 0.195 0.000 2.623 388 V HA 0.569 4.694 4.120 0.009 0.000 0.304 388 V C -0.490 175.628 176.094 0.040 0.000 1.054 388 V CA -0.391 61.987 62.300 0.130 0.000 0.882 388 V CB 2.089 33.981 31.823 0.116 0.000 1.002 388 V HN 0.789 nan 8.190 nan 0.000 0.424 389 T N 4.907 119.379 114.554 -0.136 0.000 2.840 389 T HA 0.481 4.836 4.350 0.009 0.000 0.287 389 T C -0.116 174.384 174.700 -0.332 0.000 0.991 389 T CA -0.647 61.276 62.100 -0.296 0.000 0.964 389 T CB 1.183 69.688 68.868 -0.605 0.000 0.954 389 T HN 0.537 nan 8.240 nan 0.000 0.438 390 R N 1.485 121.881 120.500 -0.173 0.000 2.582 390 R HA 0.685 5.031 4.340 0.009 0.000 0.271 390 R C 0.072 176.300 176.300 -0.119 0.000 1.078 390 R CA -0.568 55.461 56.100 -0.119 0.000 1.127 390 R CB 0.786 31.059 30.300 -0.046 0.000 1.038 390 R HN 0.664 nan 8.270 nan 0.000 0.500 391 A N 1.099 123.879 122.820 -0.067 0.000 2.312 391 A HA 0.460 4.786 4.320 0.009 0.000 0.328 391 A C -0.225 177.407 177.584 0.079 0.000 1.158 391 A CA -0.392 51.643 52.037 -0.004 0.000 0.821 391 A CB 1.635 20.642 19.000 0.012 0.000 1.170 391 A HN 0.613 nan 8.150 nan 0.000 0.490 392 T N 0.736 115.394 114.554 0.174 0.000 2.893 392 T HA 0.617 4.972 4.350 0.009 0.000 0.293 392 T C -0.815 174.152 174.700 0.446 0.000 1.027 392 T CA -0.721 61.538 62.100 0.266 0.000 0.988 392 T CB 0.794 69.836 68.868 0.290 0.000 1.043 392 T HN 0.877 nan 8.240 nan 0.000 0.461 393 K N 3.873 124.436 120.400 0.273 0.000 2.318 393 K HA 0.662 4.987 4.320 0.009 0.000 0.249 393 K C -1.095 175.311 176.600 -0.322 0.000 0.942 393 K CA -1.203 55.152 56.287 0.114 0.000 0.808 393 K CB 1.887 34.410 32.500 0.039 0.000 1.189 393 K HN 0.462 nan 8.250 nan 0.000 0.428 394 L N 3.595 124.310 121.223 -0.845 0.000 2.264 394 L HA 0.388 4.734 4.340 0.009 0.000 0.289 394 L C -1.260 175.335 176.870 -0.458 0.000 1.044 394 L CA -0.782 53.440 54.840 -1.032 0.000 0.807 394 L CB 1.530 42.549 42.059 -1.734 0.000 1.192 394 L HN 0.579 nan 8.230 nan 0.000 0.425 395 V N 5.870 125.498 119.914 -0.478 0.000 2.448 395 V HA 0.425 4.550 4.120 0.009 0.000 0.295 395 V C -0.151 175.841 176.094 -0.170 0.000 1.025 395 V CA -0.638 61.494 62.300 -0.280 0.000 0.859 395 V CB 2.098 33.684 31.823 -0.395 0.000 0.988 395 V HN 0.492 nan 8.190 nan 0.000 0.431 396 V N 4.632 124.584 119.914 0.063 0.000 2.407 396 V HA 0.759 4.884 4.120 0.009 0.000 0.291 396 V C 0.023 176.260 176.094 0.238 0.000 1.018 396 V CA -0.155 62.218 62.300 0.121 0.000 0.842 396 V CB 1.618 33.549 31.823 0.181 0.000 0.996 396 V HN 1.047 nan 8.190 nan 0.000 0.426 397 S N 4.282 120.085 115.700 0.172 0.000 2.685 397 S HA 0.941 5.417 4.470 0.009 0.000 0.282 397 S C -1.120 173.540 174.600 0.100 0.000 1.159 397 S CA -0.831 57.431 58.200 0.103 0.000 0.833 397 S CB 2.601 65.757 63.200 -0.074 0.000 1.151 397 S HN 0.862 nan 8.310 nan 0.000 0.485 398 Q N -0.248 119.572 119.800 0.033 0.000 2.575 398 Q HA 0.747 5.092 4.340 0.009 0.000 0.290 398 Q C -1.862 174.163 176.000 0.041 0.000 0.963 398 Q CA -1.111 54.766 55.803 0.122 0.000 0.783 398 Q CB 1.429 30.359 28.738 0.319 0.000 1.467 398 Q HN 0.751 nan 8.270 nan 0.000 0.402 399 I N 2.266 122.906 120.570 0.116 0.000 2.499 399 I HA 0.548 4.723 4.170 0.009 0.000 0.288 399 I C -1.190 175.061 176.117 0.223 0.000 1.048 399 I CA -0.923 60.419 61.300 0.070 0.000 1.062 399 I CB 1.449 39.460 38.000 0.020 0.000 1.238 399 I HN 0.698 nan 8.210 nan 0.000 0.426 400 F N 2.916 122.955 119.950 0.148 0.000 2.577 400 F HA 0.802 5.335 4.527 0.010 0.000 0.318 400 F C -0.666 175.248 175.800 0.190 0.000 1.065 400 F CA -0.800 57.301 58.000 0.168 0.000 0.929 400 F CB 1.615 40.715 39.000 0.168 0.000 1.237 400 F HN 0.156 nan 8.300 nan 0.000 0.468 401 T N 2.288 117.097 114.554 0.425 0.000 2.779 401 T HA 0.683 5.039 4.350 0.009 0.000 0.280 401 T C -0.422 174.481 174.700 0.337 0.000 0.987 401 T CA -0.436 61.830 62.100 0.278 0.000 0.966 401 T CB 1.236 70.207 68.868 0.173 0.000 0.933 401 T HN 0.915 nan 8.240 nan 0.000 0.442 402 A N 2.812 125.823 122.820 0.318 0.000 2.801 402 A HA 0.755 5.081 4.320 0.009 0.000 0.344 402 A C 1.213 178.813 177.584 0.026 0.000 1.322 402 A CA 0.054 52.186 52.037 0.158 0.000 0.913 402 A CB -1.000 18.186 19.000 0.310 0.000 1.140 402 A HN 1.469 nan 8.150 nan 0.000 0.487 403 A N 2.171 124.976 122.820 -0.025 0.000 4.974 403 A HA -0.384 3.941 4.320 0.009 0.000 0.339 403 A C 1.993 179.618 177.584 0.067 0.000 1.785 403 A CA 2.079 54.132 52.037 0.028 0.000 0.707 403 A CB -1.774 17.237 19.000 0.017 0.000 1.430 403 A HN 1.335 nan 8.150 nan 0.000 0.398 404 N N -1.051 117.661 118.700 0.020 0.000 2.216 404 N HA -0.005 4.741 4.740 0.009 0.000 0.183 404 N C 0.756 176.114 175.510 -0.253 0.000 1.017 404 N CA 1.668 54.565 53.050 -0.256 0.000 0.861 404 N CB -0.253 37.907 38.487 -0.544 0.000 0.986 404 N HN 0.663 nan 8.380 nan 0.000 0.428 405 Y N 1.223 121.499 120.300 -0.041 0.000 2.354 405 Y HA 0.335 4.890 4.550 0.009 0.000 0.322 405 Y C 0.433 176.257 175.900 -0.126 0.000 1.253 405 Y CA -0.778 57.261 58.100 -0.102 0.000 1.272 405 Y CB 0.953 39.375 38.460 -0.064 0.000 1.255 405 Y HN -0.023 nan 8.280 nan 0.000 0.500 406 E N 2.022 122.188 120.200 -0.056 0.000 2.234 406 E HA 0.258 4.613 4.350 0.009 0.000 0.266 406 E C -1.801 174.537 176.600 -0.437 0.000 0.877 406 E CA -0.748 55.558 56.400 -0.156 0.000 0.758 406 E CB 1.928 31.564 29.700 -0.107 0.000 1.170 406 E HN 0.490 nan 8.360 nan 0.000 0.415 407 Y N 0.372 120.363 120.300 -0.515 0.000 2.328 407 Y HA 0.264 4.819 4.550 0.009 0.000 0.337 407 Y C -0.080 175.560 175.900 -0.434 0.000 0.966 407 Y CA -0.784 56.985 58.100 -0.552 0.000 1.136 407 Y CB 1.345 39.275 38.460 -0.884 0.000 1.170 407 Y HN 0.438 nan 8.280 nan 0.000 0.470 408 C N 5.726 124.925 119.300 -0.168 0.000 2.255 408 C HA 0.586 5.051 4.460 0.009 0.000 0.326 408 C C -0.071 174.715 174.990 -0.340 0.000 1.258 408 C CA -1.204 57.674 59.018 -0.234 0.000 1.676 408 C CB -1.066 26.632 27.740 -0.070 0.000 2.314 408 C HN 0.627 nan 8.230 nan 0.000 0.509 409 L N 3.958 124.913 121.223 -0.446 0.000 2.287 409 L HA 0.492 4.837 4.340 0.009 0.000 0.287 409 L C -1.086 175.421 176.870 -0.605 0.000 1.022 409 L CA -0.414 54.187 54.840 -0.398 0.000 0.814 409 L CB 0.580 42.564 42.059 -0.126 0.000 1.217 409 L HN 0.619 nan 8.230 nan 0.000 0.420 410 Y N 0.972 121.110 120.300 -0.271 0.000 2.338 410 Y HA 0.311 4.867 4.550 0.010 0.000 0.328 410 Y C -0.765 174.921 175.900 -0.356 0.000 0.965 410 Y CA -0.684 57.295 58.100 -0.201 0.000 1.208 410 Y CB 1.073 39.450 38.460 -0.138 0.000 1.132 410 Y HN 0.469 nan 8.280 nan 0.000 0.469 411 W N 3.768 125.076 121.300 0.013 0.000 2.332 411 W HA 0.619 5.285 4.660 0.009 0.000 0.306 411 W C -0.913 175.533 176.519 -0.123 0.000 1.149 411 W CA -0.731 56.551 57.345 -0.105 0.000 1.271 411 W CB 1.024 30.430 29.460 -0.090 0.000 1.243 411 W HN 0.138 nan 8.180 nan 0.000 0.459 412 V N 5.080 124.937 119.914 -0.094 0.000 2.459 412 V HA 0.455 4.580 4.120 0.009 0.000 0.295 412 V C -0.578 175.334 176.094 -0.304 0.000 1.029 412 V CA -1.113 61.112 62.300 -0.125 0.000 0.874 412 V CB 0.831 32.585 31.823 -0.115 0.000 0.985 412 V HN 0.197 nan 8.190 nan 0.000 0.438 413 F N 4.240 124.069 119.950 -0.201 0.000 2.469 413 F HA 0.743 5.275 4.527 0.009 0.000 0.332 413 F C 0.259 176.168 175.800 0.182 0.000 1.103 413 F CA -0.502 57.406 58.000 -0.154 0.000 0.979 413 F CB 1.855 40.639 39.000 -0.359 0.000 1.137 413 F HN 0.270 nan 8.300 nan 0.000 0.463 414 M N 1.915 121.852 119.600 0.562 0.000 2.662 414 M HA 0.317 4.802 4.480 0.009 0.000 0.310 414 M C 0.557 177.258 176.300 0.668 0.000 1.204 414 M CA -0.668 54.989 55.300 0.595 0.000 0.891 414 M CB 2.259 35.043 32.600 0.306 0.000 1.732 414 M HN 0.587 nan 8.290 nan 0.000 0.467 415 Q N 0.768 120.836 119.800 0.447 0.000 2.515 415 Q HA -0.117 4.228 4.340 0.009 0.000 0.212 415 Q C 0.287 176.381 176.000 0.156 0.000 0.970 415 Q CA 0.729 56.666 55.803 0.224 0.000 0.941 415 Q CB -0.080 28.712 28.738 0.091 0.000 0.998 415 Q HN 0.600 nan 8.270 nan 0.000 0.518 416 D N -1.707 118.802 120.400 0.181 0.000 2.369 416 D HA 0.073 4.718 4.640 0.009 0.000 0.211 416 D C 1.114 177.437 176.300 0.040 0.000 1.077 416 D CA 0.602 54.646 54.000 0.074 0.000 0.842 416 D CB 0.458 41.318 40.800 0.100 0.000 0.947 416 D HN 0.194 nan 8.370 nan 0.000 0.509 417 G N -0.008 108.913 108.800 0.202 0.000 2.175 417 G HA2 -0.130 3.836 3.960 0.009 0.000 0.244 417 G HA3 -0.130 3.836 3.960 0.009 0.000 0.244 417 G C 0.497 175.723 174.900 0.543 0.000 0.982 417 G CA 0.095 45.369 45.100 0.290 0.000 0.641 417 G HN 0.790 nan 8.290 nan 0.000 0.527 418 A N -0.158 122.884 122.820 0.371 0.000 2.322 418 A HA 0.790 5.115 4.320 0.009 0.000 0.269 418 A C 0.229 177.945 177.584 0.219 0.000 1.094 418 A CA 0.041 52.245 52.037 0.277 0.000 0.807 418 A CB 0.491 19.570 19.000 0.131 0.000 1.047 418 A HN 0.807 nan 8.150 nan 0.000 0.487 419 I N 0.878 121.502 120.570 0.090 0.000 2.509 419 I HA 0.534 4.710 4.170 0.009 0.000 0.293 419 I C 0.155 176.167 176.117 -0.174 0.000 1.020 419 I CA -0.423 60.738 61.300 -0.231 0.000 1.088 419 I CB 1.960 39.768 38.000 -0.320 0.000 1.267 419 I HN 0.807 nan 8.210 nan 0.000 0.430 420 R N 5.993 126.342 120.500 -0.252 0.000 2.744 420 R HA 0.626 4.972 4.340 0.009 0.000 0.279 420 R C -2.004 174.129 176.300 -0.279 0.000 0.977 420 R CA -0.715 55.259 56.100 -0.211 0.000 0.906 420 R CB 2.322 32.530 30.300 -0.153 0.000 1.197 420 R HN 0.607 nan 8.270 nan 0.000 0.463 421 L N 3.876 124.885 121.223 -0.357 0.000 2.298 421 L HA 0.460 4.806 4.340 0.009 0.000 0.284 421 L C -1.433 175.188 176.870 -0.416 0.000 1.013 421 L CA -0.593 53.917 54.840 -0.550 0.000 0.824 421 L CB 1.587 43.193 42.059 -0.755 0.000 1.221 421 L HN 0.721 nan 8.230 nan 0.000 0.418 422 D N 6.120 126.333 120.400 -0.313 0.000 2.278 422 D HA 0.536 5.181 4.640 0.009 0.000 0.245 422 D C -0.395 175.855 176.300 -0.083 0.000 1.052 422 D CA -0.019 53.876 54.000 -0.175 0.000 0.834 422 D CB 2.747 43.468 40.800 -0.131 0.000 1.194 422 D HN 0.350 nan 8.370 nan 0.000 0.481 423 I N 1.614 122.125 120.570 -0.099 0.000 2.545 423 I HA 0.383 4.559 4.170 0.009 0.000 0.292 423 I C 0.063 176.162 176.117 -0.029 0.000 1.040 423 I CA -0.776 60.478 61.300 -0.077 0.000 1.068 423 I CB 2.094 39.957 38.000 -0.228 0.000 1.251 423 I HN -0.058 nan 8.210 nan 0.000 0.424 424 R N 4.744 125.260 120.500 0.026 0.000 2.480 424 R HA 0.540 4.885 4.340 0.009 0.000 0.306 424 R C -1.327 174.894 176.300 -0.132 0.000 0.958 424 R CA -0.967 55.117 56.100 -0.026 0.000 0.861 424 R CB 2.448 32.785 30.300 0.063 0.000 1.171 424 R HN 0.362 nan 8.270 nan 0.000 0.445 425 L N 2.180 123.267 121.223 -0.226 0.000 2.275 425 L HA 0.506 4.851 4.340 0.009 0.000 0.288 425 L C -0.225 176.473 176.870 -0.287 0.000 1.046 425 L CA 0.576 55.172 54.840 -0.406 0.000 0.805 425 L CB 1.720 43.429 42.059 -0.583 0.000 1.193 425 L HN 0.681 nan 8.230 nan 0.000 0.426 426 T N 2.473 116.866 114.554 -0.267 0.000 2.598 426 T HA 0.852 5.208 4.350 0.009 0.000 0.289 426 T C -0.151 174.517 174.700 -0.052 0.000 1.056 426 T CA 0.140 62.162 62.100 -0.130 0.000 1.088 426 T CB 0.637 69.430 68.868 -0.124 0.000 1.519 426 T HN 1.417 nan 8.240 nan 0.000 0.488 427 G N 0.316 109.064 108.800 -0.088 0.000 2.466 427 G HA2 -0.025 3.940 3.960 0.009 0.000 0.218 427 G HA3 -0.025 3.940 3.960 0.009 0.000 0.218 427 G C -1.119 173.677 174.900 -0.175 0.000 1.237 427 G CA -0.199 44.838 45.100 -0.106 0.000 0.954 427 G HN 0.936 nan 8.290 nan 0.000 0.580 428 I N 0.902 121.279 120.570 -0.322 0.000 2.509 428 I HA 0.443 4.618 4.170 0.009 0.000 0.293 428 I C 0.644 176.353 176.117 -0.680 0.000 1.020 428 I CA -0.858 60.172 61.300 -0.450 0.000 1.088 428 I CB 1.787 39.414 38.000 -0.621 0.000 1.267 428 I HN 0.499 nan 8.210 nan 0.000 0.430 429 L N 5.058 126.092 121.223 -0.315 0.000 2.485 429 L HA 0.047 4.393 4.340 0.009 0.000 0.275 429 L C 0.908 177.601 176.870 -0.295 0.000 1.207 429 L CA 0.220 54.913 54.840 -0.244 0.000 0.855 429 L CB -0.030 42.079 42.059 0.084 0.000 1.114 429 L HN 0.673 nan 8.230 nan 0.000 0.485 430 N N 1.569 120.145 118.700 -0.205 0.000 2.513 430 N HA 0.116 4.861 4.740 0.009 0.000 0.268 430 N C -0.802 174.713 175.510 0.009 0.000 1.180 430 N CA -0.178 52.837 53.050 -0.057 0.000 0.948 430 N CB 1.018 39.473 38.487 -0.054 0.000 1.083 430 N HN 0.703 nan 8.380 nan 0.000 0.455 431 T N 0.587 115.223 114.554 0.136 0.000 2.906 431 T HA 0.410 4.765 4.350 0.009 0.000 0.295 431 T C -1.128 173.609 174.700 0.062 0.000 1.061 431 T CA -0.747 61.397 62.100 0.073 0.000 1.000 431 T CB 1.495 70.456 68.868 0.156 0.000 1.103 431 T HN 0.510 nan 8.240 nan 0.000 0.486 432 Y N 1.556 121.694 120.300 -0.270 0.000 2.570 432 Y HA 0.694 5.249 4.550 0.009 0.000 0.345 432 Y C -0.447 175.339 175.900 -0.189 0.000 1.014 432 Y CA -2.174 55.756 58.100 -0.284 0.000 1.063 432 Y CB 1.507 39.698 38.460 -0.450 0.000 1.272 432 Y HN 1.010 nan 8.280 nan 0.000 0.477 433 I N 4.422 124.349 120.570 -1.072 0.000 2.696 433 I HA 0.281 4.457 4.170 0.009 0.000 0.284 433 I C -1.369 174.488 176.117 -0.432 0.000 1.129 433 I CA -0.281 60.621 61.300 -0.663 0.000 1.410 433 I CB 0.538 38.159 38.000 -0.631 0.000 1.399 433 I HN 0.614 nan 8.210 nan 0.000 0.579 434 L N 6.981 128.075 121.223 -0.215 0.000 2.385 434 L HA 0.648 4.993 4.340 0.009 0.000 0.273 434 L C 0.004 176.834 176.870 -0.066 0.000 0.990 434 L CA -0.115 54.673 54.840 -0.087 0.000 0.821 434 L CB 1.542 43.564 42.059 -0.061 0.000 1.279 434 L HN 0.650 nan 8.230 nan 0.000 0.412 435 G N 2.308 111.095 108.800 -0.022 0.000 2.544 435 G HA2 0.126 4.092 3.960 0.009 0.000 0.242 435 G HA3 0.126 4.092 3.960 0.009 0.000 0.242 435 G C 0.347 175.241 174.900 -0.011 0.000 1.247 435 G CA -0.207 44.886 45.100 -0.013 0.000 0.840 435 G HN 0.790 nan 8.290 nan 0.000 0.578 436 D N 0.384 120.780 120.400 -0.006 0.000 2.133 436 D HA -0.100 4.545 4.640 0.009 0.000 0.195 436 D C 0.793 177.091 176.300 -0.003 0.000 0.997 436 D CA 1.287 55.287 54.000 -0.000 0.000 0.840 436 D CB 0.224 41.027 40.800 0.005 0.000 0.947 436 D HN 0.377 nan 8.370 nan 0.000 0.452 437 D N 0.711 121.112 120.400 0.002 0.000 2.895 437 D HA 0.089 4.734 4.640 0.009 0.000 0.258 437 D C -0.130 176.176 176.300 0.010 0.000 1.311 437 D CA -0.008 53.994 54.000 0.003 0.000 0.843 437 D CB 0.370 41.173 40.800 0.004 0.000 1.055 437 D HN 0.259 nan 8.370 nan 0.000 0.486 438 E N 1.134 121.341 120.200 0.012 0.000 2.199 438 E HA 0.150 4.506 4.350 0.009 0.000 0.269 438 E C -0.652 175.962 176.600 0.022 0.000 0.899 438 E CA -0.553 55.864 56.400 0.028 0.000 0.772 438 E CB 1.797 31.524 29.700 0.045 0.000 1.155 438 E HN -0.154 nan 8.360 nan 0.000 0.408 439 E N 2.314 122.530 120.200 0.026 0.000 2.249 439 E HA 0.226 4.582 4.350 0.009 0.000 0.280 439 E C 0.039 176.660 176.600 0.037 0.000 1.016 439 E CA -0.064 56.343 56.400 0.013 0.000 0.830 439 E CB 1.661 31.356 29.700 -0.008 0.000 1.081 439 E HN 0.671 nan 8.360 nan 0.000 0.395 440 A N 3.608 126.447 122.820 0.032 0.000 2.259 440 A HA 0.068 4.393 4.320 0.009 0.000 0.212 440 A C 1.207 178.825 177.584 0.056 0.000 1.178 440 A CA 1.296 53.378 52.037 0.075 0.000 0.734 440 A CB -0.958 18.078 19.000 0.060 0.000 0.774 440 A HN 0.894 nan 8.150 nan 0.000 0.481 441 G N -0.685 108.100 108.800 -0.025 0.000 2.578 441 G HA2 -0.265 3.700 3.960 0.009 0.000 0.275 441 G HA3 -0.265 3.700 3.960 0.009 0.000 0.275 441 G C -1.164 173.568 174.900 -0.280 0.000 1.271 441 G CA 0.207 45.212 45.100 -0.158 0.000 0.941 441 G HN 0.325 nan 8.290 nan 0.000 0.564 442 P HA 0.178 nan 4.420 nan 0.000 0.245 442 P C 1.093 178.124 177.300 -0.448 0.000 1.203 442 P CA 1.198 63.905 63.100 -0.655 0.000 0.792 442 P CB -0.023 31.062 31.700 -1.024 0.000 0.997 443 W N 0.113 121.463 121.300 0.085 0.000 3.139 443 W HA 0.429 5.095 4.660 0.010 0.000 0.260 443 W C 0.982 177.602 176.519 0.168 0.000 1.312 443 W CA -0.064 57.336 57.345 0.092 0.000 1.606 443 W CB 0.208 29.669 29.460 0.002 0.000 1.118 443 W HN -0.074 nan 8.180 nan 0.000 0.675 444 G N -0.550 108.442 108.800 0.319 0.000 2.663 444 G HA2 0.536 4.501 3.960 0.009 0.000 0.299 444 G HA3 0.536 4.501 3.960 0.009 0.000 0.299 444 G C -1.440 173.565 174.900 0.174 0.000 1.372 444 G CA -0.620 44.670 45.100 0.317 0.000 0.781 444 G HN -0.289 nan 8.290 nan 0.000 0.491 445 T N -0.040 114.593 114.554 0.132 0.000 2.876 445 T HA 0.490 4.846 4.350 0.009 0.000 0.289 445 T C -0.117 174.589 174.700 0.010 0.000 1.014 445 T CA -0.622 61.517 62.100 0.065 0.000 0.986 445 T CB 1.926 70.839 68.868 0.074 0.000 1.021 445 T HN 0.563 nan 8.240 nan 0.000 0.458 446 R N 2.729 123.222 120.500 -0.012 0.000 2.308 446 R HA 0.324 4.669 4.340 0.009 0.000 0.325 446 R C 1.015 177.277 176.300 -0.063 0.000 1.161 446 R CA -0.253 55.815 56.100 -0.053 0.000 1.022 446 R CB -0.200 30.070 30.300 -0.050 0.000 1.091 446 R HN 0.571 nan 8.270 nan 0.000 0.497 447 V N 2.155 121.996 119.914 -0.122 0.000 3.608 447 V HA 0.271 4.396 4.120 0.009 0.000 0.269 447 V C -0.257 175.821 176.094 -0.027 0.000 1.245 447 V CA 0.097 62.333 62.300 -0.106 0.000 1.138 447 V CB -0.858 30.834 31.823 -0.218 0.000 0.841 447 V HN 0.675 nan 8.190 nan 0.000 0.451 448 Y N -0.655 119.495 120.300 -0.251 0.000 2.620 448 Y HA 0.583 5.139 4.550 0.009 0.000 0.331 448 Y C -3.158 172.608 175.900 -0.224 0.000 1.173 448 Y CA -2.308 55.689 58.100 -0.172 0.000 1.076 448 Y CB 1.773 40.162 38.460 -0.117 0.000 1.336 448 Y HN -0.113 nan 8.280 nan 0.000 0.459 449 P HA 0.107 nan 4.420 nan 0.000 0.261 449 P C -0.561 176.502 177.300 -0.394 0.000 1.183 449 P CA 1.209 63.922 63.100 -0.646 0.000 0.761 449 P CB 0.279 31.255 31.700 -1.208 0.000 0.785 450 N N -0.180 118.396 118.700 -0.206 0.000 2.878 450 N HA -0.122 4.623 4.740 0.009 0.000 0.247 450 N C -0.775 174.651 175.510 -0.140 0.000 1.021 450 N CA 0.717 53.690 53.050 -0.129 0.000 0.873 450 N CB -1.496 36.941 38.487 -0.083 0.000 1.128 450 N HN 0.180 nan 8.380 nan 0.000 0.571 451 V N 1.287 121.120 119.914 -0.135 0.000 2.448 451 V HA 0.359 4.484 4.120 0.009 0.000 0.295 451 V C 0.275 176.270 176.094 -0.164 0.000 1.025 451 V CA -0.806 61.398 62.300 -0.159 0.000 0.859 451 V CB 2.073 33.773 31.823 -0.205 0.000 0.988 451 V HN 0.222 nan 8.190 nan 0.000 0.431 452 N N 3.128 121.734 118.700 -0.156 0.000 2.479 452 N HA 0.642 5.387 4.740 0.009 0.000 0.261 452 N C -0.455 174.949 175.510 -0.176 0.000 0.979 452 N CA -0.457 52.522 53.050 -0.118 0.000 0.930 452 N CB 1.326 39.783 38.487 -0.049 0.000 1.172 452 N HN 0.829 nan 8.380 nan 0.000 0.499 453 A N 3.533 126.298 122.820 -0.092 0.000 2.294 453 A HA 0.249 4.574 4.320 0.009 0.000 0.316 453 A C -0.562 177.111 177.584 0.150 0.000 1.359 453 A CA -0.408 51.616 52.037 -0.022 0.000 0.956 453 A CB -0.140 18.854 19.000 -0.010 0.000 1.155 453 A HN 0.842 nan 8.150 nan 0.000 0.544 454 H N 2.285 121.481 119.070 0.210 0.000 2.815 454 H HA 0.050 4.612 4.556 0.009 0.000 0.350 454 H C 0.248 175.811 175.328 0.390 0.000 1.080 454 H CA -0.432 55.795 56.048 0.298 0.000 1.433 454 H CB 0.688 30.628 29.762 0.296 0.000 1.432 454 H HN 0.670 nan 8.280 nan 0.000 0.592 455 N N 2.832 121.774 118.700 0.403 0.000 2.381 455 N HA 0.022 4.768 4.740 0.009 0.000 0.241 455 N C -0.088 175.424 175.510 0.004 0.000 1.279 455 N CA 0.426 53.554 53.050 0.129 0.000 0.896 455 N CB 0.492 39.085 38.487 0.176 0.000 1.118 455 N HN 0.727 nan 8.380 nan 0.000 0.438 456 H N -2.275 116.576 119.070 -0.365 0.000 2.921 456 H HA 0.260 4.822 4.556 0.009 0.000 0.287 456 H C -1.526 173.535 175.328 -0.445 0.000 1.434 456 H CA -0.770 54.944 56.048 -0.557 0.000 1.178 456 H CB 0.724 29.698 29.762 -1.313 0.000 1.836 456 H HN 0.429 nan 8.280 nan 0.000 0.495 457 Q N 0.510 120.096 119.800 -0.357 0.000 2.351 457 Q HA 0.393 4.739 4.340 0.009 0.000 0.273 457 Q C -0.826 175.018 176.000 -0.260 0.000 1.077 457 Q CA -1.016 54.629 55.803 -0.263 0.000 0.843 457 Q CB 2.556 31.185 28.738 -0.182 0.000 1.367 457 Q HN 0.497 nan 8.270 nan 0.000 0.449 458 H N 1.582 120.601 119.070 -0.085 0.000 2.762 458 H HA 0.413 4.974 4.556 0.009 0.000 0.310 458 H C -0.985 174.172 175.328 -0.286 0.000 1.004 458 H CA -0.211 55.747 56.048 -0.151 0.000 1.267 458 H CB 0.764 30.520 29.762 -0.010 0.000 1.437 458 H HN 0.360 nan 8.280 nan 0.000 0.498 459 L N 4.115 125.128 121.223 -0.350 0.000 2.346 459 L HA 0.463 4.808 4.340 0.009 0.000 0.276 459 L C -0.838 175.745 176.870 -0.480 0.000 1.006 459 L CA -0.786 53.893 54.840 -0.269 0.000 0.817 459 L CB 1.383 43.386 42.059 -0.093 0.000 1.272 459 L HN 0.317 nan 8.230 nan 0.000 0.421 460 F N 0.084 119.868 119.950 -0.276 0.000 2.577 460 F HA 0.462 4.994 4.527 0.009 0.000 0.318 460 F C 0.286 175.928 175.800 -0.263 0.000 1.065 460 F CA -0.860 56.912 58.000 -0.380 0.000 0.929 460 F CB 2.124 40.622 39.000 -0.837 0.000 1.237 460 F HN 0.223 nan 8.300 nan 0.000 0.468 461 S N 3.244 118.849 115.700 -0.158 0.000 2.601 461 S HA 0.441 4.917 4.470 0.009 0.000 0.312 461 S C -0.984 173.675 174.600 0.098 0.000 1.107 461 S CA -0.596 57.498 58.200 -0.177 0.000 1.129 461 S CB 0.136 62.781 63.200 -0.924 0.000 0.982 461 S HN 0.662 nan 8.310 nan 0.000 0.469 462 L N 5.809 127.212 121.223 0.300 0.000 2.319 462 L HA 0.466 4.812 4.340 0.009 0.000 0.280 462 L C 0.248 177.163 176.870 0.074 0.000 1.099 462 L CA -0.256 54.742 54.840 0.265 0.000 0.828 462 L CB 0.609 42.867 42.059 0.333 0.000 1.150 462 L HN 0.702 nan 8.230 nan 0.000 0.442 463 R N 6.210 126.644 120.500 -0.111 0.000 2.265 463 R HA 0.540 4.885 4.340 0.009 0.000 0.328 463 R C -1.252 174.803 176.300 -0.409 0.000 0.969 463 R CA -0.516 55.281 56.100 -0.506 0.000 0.832 463 R CB 0.788 30.774 30.300 -0.523 0.000 1.139 463 R HN 0.628 nan 8.270 nan 0.000 0.457 464 I N 3.529 123.854 120.570 -0.408 0.000 2.389 464 I HA 0.194 4.369 4.170 0.009 0.000 0.288 464 I C -0.645 175.328 176.117 -0.239 0.000 0.999 464 I CA -0.751 60.325 61.300 -0.372 0.000 1.129 464 I CB 1.898 39.630 38.000 -0.448 0.000 1.288 464 I HN 0.508 nan 8.210 nan 0.000 0.444 465 D N 9.481 129.775 120.400 -0.177 0.000 2.473 465 D HA 0.321 4.967 4.640 0.009 0.000 0.226 465 D C -2.518 173.820 176.300 0.064 0.000 1.089 465 D CA -2.106 51.881 54.000 -0.022 0.000 0.883 465 D CB 1.428 42.250 40.800 0.036 0.000 1.029 465 D HN 0.151 nan 8.370 nan 0.000 0.517 466 P HA 0.321 nan 4.420 nan 0.000 0.278 466 P C -0.416 176.969 177.300 0.141 0.000 1.258 466 P CA -0.545 62.700 63.100 0.240 0.000 0.811 466 P CB 1.295 33.120 31.700 0.209 0.000 1.063 467 R N 1.345 121.919 120.500 0.125 0.000 2.499 467 R HA 0.232 4.578 4.340 0.009 0.000 0.252 467 R C -0.258 176.071 176.300 0.048 0.000 1.309 467 R CA -0.310 55.827 56.100 0.063 0.000 1.425 467 R CB -0.154 30.191 30.300 0.075 0.000 1.392 467 R HN 0.293 nan 8.270 nan 0.000 0.766 468 I N 2.589 123.198 120.570 0.065 0.000 2.792 468 I HA -0.053 4.122 4.170 0.009 0.000 0.284 468 I C 0.600 176.811 176.117 0.158 0.000 1.166 468 I CA 1.056 62.433 61.300 0.128 0.000 1.375 468 I CB -0.355 37.761 38.000 0.192 0.000 1.421 468 I HN 0.598 nan 8.210 nan 0.000 0.544 469 D N 4.827 125.354 120.400 0.212 0.000 2.911 469 D HA -0.154 4.491 4.640 0.009 0.000 0.227 469 D C 0.540 176.849 176.300 0.015 0.000 1.164 469 D CA 1.667 55.696 54.000 0.049 0.000 0.782 469 D CB -0.694 40.020 40.800 -0.143 0.000 1.094 469 D HN 1.188 nan 8.370 nan 0.000 0.425 470 G N -1.229 107.593 108.800 0.037 0.000 2.343 470 G HA2 0.036 4.001 3.960 0.009 0.000 0.562 470 G HA3 0.036 4.001 3.960 0.009 0.000 0.562 470 G C -1.220 173.683 174.900 0.005 0.000 1.269 470 G CA -0.262 44.845 45.100 0.013 0.000 1.011 470 G HN 0.156 nan 8.290 nan 0.000 0.498 471 D N 0.529 120.921 120.400 -0.013 0.000 2.283 471 D HA 0.537 5.183 4.640 0.009 0.000 0.248 471 D C 0.830 177.115 176.300 -0.025 0.000 1.072 471 D CA 1.462 55.446 54.000 -0.027 0.000 0.929 471 D CB 1.249 42.025 40.800 -0.041 0.000 1.182 471 D HN 2.013 nan 8.370 nan 0.000 0.433 472 G N 1.506 110.288 108.800 -0.031 0.000 2.897 472 G HA2 -0.161 3.804 3.960 0.009 0.000 0.436 472 G HA3 -0.161 3.804 3.960 0.009 0.000 0.436 472 G C -0.651 174.216 174.900 -0.055 0.000 1.079 472 G CA -0.764 44.316 45.100 -0.034 0.000 1.090 472 G HN 0.418 nan 8.290 nan 0.000 0.480 473 N N -0.360 118.298 118.700 -0.069 0.000 2.453 473 N HA 0.882 5.628 4.740 0.009 0.000 0.290 473 N C -0.121 175.259 175.510 -0.216 0.000 1.250 473 N CA -0.318 52.649 53.050 -0.138 0.000 0.815 473 N CB 2.186 40.641 38.487 -0.054 0.000 1.381 473 N HN 0.481 nan 8.380 nan 0.000 0.510 474 S N -0.796 114.631 115.700 -0.456 0.000 2.685 474 S HA 0.934 5.409 4.470 0.009 0.000 0.282 474 S C -1.265 173.137 174.600 -0.330 0.000 1.159 474 S CA -0.681 57.239 58.200 -0.466 0.000 0.833 474 S CB 2.044 64.754 63.200 -0.816 0.000 1.151 474 S HN 0.736 nan 8.310 nan 0.000 0.485 475 A N 0.116 122.947 122.820 0.018 0.000 2.515 475 A HA 1.008 5.333 4.320 0.009 0.000 0.296 475 A C -1.126 176.452 177.584 -0.010 0.000 1.094 475 A CA -0.452 51.747 52.037 0.270 0.000 0.718 475 A CB 1.535 20.879 19.000 0.574 0.000 1.307 475 A HN 1.502 nan 8.150 nan 0.000 0.408 476 A N -0.363 122.389 122.820 -0.113 0.000 2.612 476 A HA 0.891 5.216 4.320 0.009 0.000 0.293 476 A C -0.478 176.940 177.584 -0.276 0.000 1.075 476 A CA 0.042 51.738 52.037 -0.568 0.000 0.680 476 A CB 0.877 19.803 19.000 -0.123 0.000 1.279 476 A HN 2.505 nan 8.150 nan 0.000 0.411 477 A N -0.149 122.496 122.820 -0.291 0.000 2.312 477 A HA 0.633 4.958 4.320 0.009 0.000 0.326 477 A C -0.400 177.092 177.584 -0.155 0.000 1.172 477 A CA -0.354 51.607 52.037 -0.127 0.000 0.821 477 A CB 0.321 19.378 19.000 0.096 0.000 1.166 477 A HN 1.311 nan 8.150 nan 0.000 0.493 478 C N 2.172 121.345 119.300 -0.212 0.000 2.340 478 C HA 0.654 5.119 4.460 0.009 0.000 0.323 478 C C -0.840 174.046 174.990 -0.173 0.000 1.260 478 C CA -0.843 58.087 59.018 -0.148 0.000 1.464 478 C CB 0.480 28.158 27.740 -0.104 0.000 2.156 478 C HN 0.802 nan 8.230 nan 0.000 0.476 479 D N 1.959 122.269 120.400 -0.149 0.000 2.505 479 D HA 0.500 5.146 4.640 0.009 0.000 0.249 479 D C -0.330 175.854 176.300 -0.193 0.000 1.082 479 D CA 0.051 53.951 54.000 -0.167 0.000 0.839 479 D CB 2.222 42.933 40.800 -0.149 0.000 1.317 479 D HN 0.680 nan 8.370 nan 0.000 0.497 480 A N 2.875 125.587 122.820 -0.180 0.000 2.450 480 A HA 0.402 4.727 4.320 0.009 0.000 0.255 480 A C 0.107 177.543 177.584 -0.246 0.000 1.096 480 A CA 0.030 51.950 52.037 -0.196 0.000 0.778 480 A CB 0.383 19.269 19.000 -0.191 0.000 1.031 480 A HN 0.417 nan 8.150 nan 0.000 0.494 481 K N 2.028 122.228 120.400 -0.334 0.000 2.502 481 K HA 0.438 4.763 4.320 0.009 0.000 0.257 481 K C -0.840 175.712 176.600 -0.080 0.000 0.938 481 K CA -0.663 55.459 56.287 -0.274 0.000 0.819 481 K CB 2.175 34.443 32.500 -0.386 0.000 1.333 481 K HN 0.583 nan 8.250 nan 0.000 0.434 482 S N 0.989 116.726 115.700 0.062 0.000 2.585 482 S HA 0.052 4.528 4.470 0.009 0.000 0.273 482 S C 0.340 175.137 174.600 0.328 0.000 1.339 482 S CA -0.322 58.001 58.200 0.205 0.000 1.028 482 S CB 1.109 64.386 63.200 0.129 0.000 0.906 482 S HN 0.601 nan 8.310 nan 0.000 0.528 483 S N 2.723 118.641 115.700 0.363 0.000 2.558 483 S HA 0.075 4.550 4.470 0.009 0.000 0.288 483 S C -1.126 173.614 174.600 0.233 0.000 1.318 483 S CA -1.048 57.357 58.200 0.341 0.000 1.056 483 S CB 0.321 63.688 63.200 0.277 0.000 0.853 483 S HN 0.552 nan 8.310 nan 0.000 0.505 484 P HA -0.026 nan 4.420 nan 0.000 0.223 484 P C -0.187 177.047 177.300 -0.112 0.000 1.151 484 P CA 0.646 63.735 63.100 -0.018 0.000 0.787 484 P CB -0.104 31.520 31.700 -0.126 0.000 0.788 485 Y N 2.784 123.108 120.300 0.041 0.000 2.511 485 Y HA 0.134 4.689 4.550 0.009 0.000 0.332 485 Y C -1.222 174.698 175.900 0.034 0.000 1.177 485 Y CA -2.105 56.011 58.100 0.026 0.000 1.422 485 Y CB -0.561 37.907 38.460 0.014 0.000 1.271 485 Y HN 0.064 nan 8.280 nan 0.000 0.550 486 P HA 0.043 nan 4.420 nan 0.000 0.274 486 P C -0.418 176.936 177.300 0.089 0.000 1.246 486 P CA -0.507 62.649 63.100 0.093 0.000 0.795 486 P CB 1.220 32.955 31.700 0.058 0.000 1.006 487 L N 0.734 121.993 121.223 0.060 0.000 2.490 487 L HA 0.129 4.475 4.340 0.009 0.000 0.274 487 L C 1.517 178.390 176.870 0.004 0.000 1.201 487 L CA 1.679 56.541 54.840 0.037 0.000 0.869 487 L CB -0.589 41.489 42.059 0.031 0.000 1.123 487 L HN 0.903 nan 8.230 nan 0.000 0.484 488 G N 2.290 111.065 108.800 -0.042 0.000 2.176 488 G HA2 -0.292 3.674 3.960 0.009 0.000 0.253 488 G HA3 -0.292 3.674 3.960 0.009 0.000 0.253 488 G C 0.259 175.131 174.900 -0.048 0.000 0.979 488 G CA 0.384 45.439 45.100 -0.074 0.000 0.641 488 G HN 0.911 nan 8.290 nan 0.000 0.530 489 S N 0.102 115.799 115.700 -0.005 0.000 2.632 489 S HA 0.659 5.134 4.470 0.009 0.000 0.271 489 S C -0.880 173.701 174.600 -0.032 0.000 1.260 489 S CA -0.646 57.561 58.200 0.013 0.000 1.010 489 S CB 2.324 65.584 63.200 0.100 0.000 0.965 489 S HN -0.026 nan 8.310 nan 0.000 0.534 490 P HA -0.078 nan 4.420 nan 0.000 0.216 490 P C 0.859 178.092 177.300 -0.111 0.000 1.150 490 P CA 1.192 64.249 63.100 -0.072 0.000 0.837 490 P CB -0.005 31.653 31.700 -0.070 0.000 0.786 491 E N -1.591 118.490 120.200 -0.197 0.000 2.268 491 E HA -0.083 4.272 4.350 0.009 0.000 0.195 491 E C 0.853 177.363 176.600 -0.150 0.000 0.995 491 E CA 0.877 57.081 56.400 -0.327 0.000 0.836 491 E CB -0.491 28.645 29.700 -0.940 0.000 0.763 491 E HN 0.141 nan 8.360 nan 0.000 0.491 492 N N -0.692 117.986 118.700 -0.036 0.000 2.604 492 N HA 0.080 4.826 4.740 0.009 0.000 0.284 492 N C 0.353 175.891 175.510 0.047 0.000 1.716 492 N CA -0.040 53.039 53.050 0.048 0.000 0.859 492 N CB -0.094 38.465 38.487 0.120 0.000 1.403 492 N HN -0.102 nan 8.380 nan 0.000 0.501 493 M N 0.361 119.964 119.600 0.004 0.000 2.190 493 M HA -0.210 4.276 4.480 0.009 0.000 0.252 493 M C 0.196 176.351 176.300 -0.241 0.000 1.076 493 M CA 2.133 57.347 55.300 -0.144 0.000 1.079 493 M CB -0.490 31.985 32.600 -0.209 0.000 1.303 493 M HN 0.385 nan 8.290 nan 0.000 0.412 494 Y N -0.701 119.612 120.300 0.022 0.000 2.493 494 Y HA 0.464 5.019 4.550 0.009 0.000 0.275 494 Y C 1.461 177.387 175.900 0.044 0.000 1.183 494 Y CA -0.019 58.098 58.100 0.029 0.000 1.258 494 Y CB -0.578 37.896 38.460 0.023 0.000 1.108 494 Y HN 0.471 nan 8.280 nan 0.000 0.521 495 G N 1.667 110.563 108.800 0.160 0.000 2.258 495 G HA2 -0.392 3.574 3.960 0.009 0.000 0.274 495 G HA3 -0.392 3.574 3.960 0.009 0.000 0.274 495 G C 0.911 175.906 174.900 0.158 0.000 1.021 495 G CA 0.830 46.014 45.100 0.139 0.000 0.798 495 G HN 0.601 nan 8.290 nan 0.000 0.507 496 N N -0.347 118.456 118.700 0.172 0.000 2.254 496 N HA 0.370 5.116 4.740 0.009 0.000 0.190 496 N C 1.022 176.656 175.510 0.207 0.000 1.107 496 N CA 0.623 53.782 53.050 0.181 0.000 0.869 496 N CB 0.118 38.688 38.487 0.138 0.000 0.983 496 N HN 0.918 nan 8.380 nan 0.000 0.487 497 A N 1.036 123.955 122.820 0.164 0.000 2.488 497 A HA 0.444 4.769 4.320 0.009 0.000 0.249 497 A C -0.462 177.288 177.584 0.276 0.000 1.083 497 A CA -0.221 51.893 52.037 0.128 0.000 0.768 497 A CB -0.515 18.546 19.000 0.101 0.000 1.017 497 A HN 0.472 nan 8.150 nan 0.000 0.496 498 F N 0.780 120.822 119.950 0.154 0.000 2.654 498 F HA 0.753 5.286 4.527 0.009 0.000 0.308 498 F C -1.072 174.868 175.800 0.233 0.000 1.108 498 F CA -1.510 56.599 58.000 0.182 0.000 0.957 498 F CB 0.834 39.872 39.000 0.063 0.000 1.309 498 F HN 0.770 nan 8.300 nan 0.000 0.446 499 Y N -0.609 119.865 120.300 0.290 0.000 2.728 499 Y HA 0.790 5.346 4.550 0.009 0.000 0.330 499 Y C -1.389 174.621 175.900 0.184 0.000 1.234 499 Y CA -1.895 56.295 58.100 0.150 0.000 1.070 499 Y CB 0.920 39.413 38.460 0.056 0.000 1.300 499 Y HN 0.795 nan 8.280 nan 0.000 0.467 500 S N 0.693 116.411 115.700 0.031 0.000 2.429 500 S HA 0.284 4.760 4.470 0.009 0.000 0.302 500 S C -0.941 173.626 174.600 -0.055 0.000 1.115 500 S CA -0.575 57.579 58.200 -0.077 0.000 1.095 500 S CB 0.125 63.337 63.200 0.021 0.000 0.987 500 S HN 0.683 nan 8.310 nan 0.000 0.474 501 E N 3.974 124.063 120.200 -0.185 0.000 2.130 501 E HA 0.225 4.581 4.350 0.009 0.000 0.284 501 E C -0.546 176.041 176.600 -0.021 0.000 1.018 501 E CA -0.433 55.958 56.400 -0.015 0.000 0.817 501 E CB 0.513 30.189 29.700 -0.040 0.000 1.078 501 E HN 0.512 nan 8.360 nan 0.000 0.396 502 K N 3.542 123.944 120.400 0.004 0.000 2.263 502 K HA 0.230 4.555 4.320 0.009 0.000 0.272 502 K C -1.219 175.370 176.600 -0.019 0.000 1.033 502 K CA -0.385 55.875 56.287 -0.045 0.000 0.884 502 K CB 1.193 33.638 32.500 -0.093 0.000 1.107 502 K HN 0.335 nan 8.250 nan 0.000 0.460 503 T N 3.326 117.866 114.554 -0.024 0.000 2.853 503 T HA 0.071 4.427 4.350 0.009 0.000 0.317 503 T C -0.363 174.305 174.700 -0.053 0.000 1.059 503 T CA -0.434 61.684 62.100 0.030 0.000 0.954 503 T CB 0.964 69.900 68.868 0.113 0.000 0.994 503 T HN 0.641 nan 8.240 nan 0.000 0.479 504 T N 3.401 117.961 114.554 0.010 0.000 2.817 504 T HA 0.467 4.823 4.350 0.009 0.000 0.293 504 T C -0.104 174.682 174.700 0.143 0.000 0.964 504 T CA -0.699 61.412 62.100 0.019 0.000 1.085 504 T CB -0.204 68.800 68.868 0.227 0.000 0.921 504 T HN 0.239 nan 8.240 nan 0.000 0.502 505 F N 4.452 124.528 119.950 0.210 0.000 2.506 505 F HA 0.356 4.888 4.527 0.009 0.000 0.371 505 F C 1.463 177.333 175.800 0.117 0.000 1.078 505 F CA -0.815 57.275 58.000 0.149 0.000 1.195 505 F CB 0.390 39.477 39.000 0.146 0.000 1.099 505 F HN 0.689 nan 8.300 nan 0.000 0.548 506 K N 0.588 121.156 120.400 0.280 0.000 2.244 506 K HA 0.094 4.419 4.320 0.009 0.000 0.200 506 K C 0.608 177.291 176.600 0.138 0.000 1.052 506 K CA 0.652 57.044 56.287 0.175 0.000 0.980 506 K CB 0.317 32.898 32.500 0.135 0.000 0.838 506 K HN 0.515 nan 8.250 nan 0.000 0.481 507 T N 0.012 114.641 114.554 0.126 0.000 2.908 507 T HA 0.162 4.517 4.350 0.009 0.000 0.290 507 T C 1.238 175.960 174.700 0.036 0.000 1.034 507 T CA -0.623 61.520 62.100 0.073 0.000 1.010 507 T CB 2.217 71.117 68.868 0.053 0.000 1.068 507 T HN -0.266 nan 8.240 nan 0.000 0.481 508 V N 3.125 123.048 119.914 0.014 0.000 2.278 508 V HA -0.209 3.917 4.120 0.009 0.000 0.251 508 V C 2.608 178.636 176.094 -0.109 0.000 1.062 508 V CA 2.112 64.392 62.300 -0.033 0.000 1.038 508 V CB -0.521 31.297 31.823 -0.009 0.000 0.646 508 V HN 0.840 nan 8.190 nan 0.000 0.447 509 K N -0.254 120.099 120.400 -0.078 0.000 2.152 509 K HA -0.251 4.074 4.320 0.009 0.000 0.206 509 K C 1.754 178.264 176.600 -0.151 0.000 1.048 509 K CA 1.891 58.114 56.287 -0.106 0.000 0.933 509 K CB -0.246 32.224 32.500 -0.049 0.000 0.721 509 K HN 0.530 nan 8.250 nan 0.000 0.447 510 D N -0.002 120.326 120.400 -0.119 0.000 2.178 510 D HA -0.123 4.522 4.640 0.009 0.000 0.202 510 D C 1.921 177.897 176.300 -0.540 0.000 0.974 510 D CA 1.511 55.439 54.000 -0.120 0.000 0.841 510 D CB -0.071 40.794 40.800 0.107 0.000 0.953 510 D HN 0.363 nan 8.370 nan 0.000 0.478 511 S N 0.206 115.393 115.700 -0.855 0.000 2.461 511 S HA -0.036 4.439 4.470 0.009 0.000 0.228 511 S C 1.296 175.428 174.600 -0.780 0.000 1.005 511 S CA -0.085 57.191 58.200 -1.540 0.000 0.942 511 S CB -0.530 62.128 63.200 -0.903 0.000 0.776 511 S HN 0.172 nan 8.310 nan 0.000 0.514 512 L N 3.794 124.699 121.223 -0.530 0.000 2.617 512 L HA 0.231 4.576 4.340 0.009 0.000 0.282 512 L C 0.387 177.100 176.870 -0.261 0.000 1.174 512 L CA -0.132 54.356 54.840 -0.588 0.000 1.016 512 L CB -1.089 40.463 42.059 -0.845 0.000 1.337 512 L HN 0.420 nan 8.230 nan 0.000 0.460 513 T N -1.046 113.509 114.554 0.003 0.000 2.896 513 T HA 0.549 4.905 4.350 0.009 0.000 0.297 513 T C -0.390 174.586 174.700 0.460 0.000 1.108 513 T CA -1.100 61.179 62.100 0.299 0.000 1.004 513 T CB 2.498 71.643 68.868 0.462 0.000 1.159 513 T HN 0.219 nan 8.240 nan 0.000 0.499 514 N N -0.066 118.921 118.700 0.477 0.000 2.402 514 N HA 0.357 5.103 4.740 0.009 0.000 0.294 514 N C -1.360 174.524 175.510 0.623 0.000 1.203 514 N CA -0.646 52.703 53.050 0.497 0.000 0.838 514 N CB 1.312 39.978 38.487 0.297 0.000 1.306 514 N HN 0.770 nan 8.380 nan 0.000 0.510 515 Y N 0.951 121.600 120.300 0.581 0.000 2.497 515 Y HA 0.049 4.605 4.550 0.009 0.000 0.334 515 Y C -0.253 175.779 175.900 0.220 0.000 1.199 515 Y CA 0.479 58.865 58.100 0.477 0.000 1.425 515 Y CB 0.534 39.281 38.460 0.478 0.000 1.291 515 Y HN 0.285 nan 8.280 nan 0.000 0.562 516 E N 3.713 123.349 120.200 -0.941 0.000 2.235 516 E HA 0.130 4.485 4.350 0.009 0.000 0.252 516 E C 0.516 176.573 176.600 -0.905 0.000 0.886 516 E CA 0.029 56.026 56.400 -0.672 0.000 0.767 516 E CB 1.521 31.026 29.700 -0.324 0.000 1.205 516 E HN 0.811 nan 8.360 nan 0.000 0.421 517 S N 1.783 117.123 115.700 -0.600 0.000 2.382 517 S HA -0.193 4.282 4.470 0.009 0.000 0.228 517 S C 1.886 176.386 174.600 -0.166 0.000 1.027 517 S CA 1.043 59.095 58.200 -0.247 0.000 0.991 517 S CB -0.105 63.096 63.200 0.001 0.000 0.823 517 S HN 0.462 nan 8.310 nan 0.000 0.469 518 A N 1.749 124.472 122.820 -0.162 0.000 2.076 518 A HA -0.018 4.307 4.320 0.009 0.000 0.220 518 A C 2.288 179.793 177.584 -0.133 0.000 1.160 518 A CA 1.876 53.844 52.037 -0.116 0.000 0.653 518 A CB -0.969 17.976 19.000 -0.092 0.000 0.801 518 A HN 0.835 nan 8.150 nan 0.000 0.455 519 T N -5.864 108.583 114.554 -0.177 0.000 3.058 519 T HA 0.433 4.788 4.350 0.009 0.000 0.278 519 T C 1.087 175.689 174.700 -0.163 0.000 0.974 519 T CA 0.945 62.943 62.100 -0.170 0.000 0.893 519 T CB 0.016 68.780 68.868 -0.174 0.000 1.138 519 T HN 1.687 nan 8.240 nan 0.000 0.529 520 G N 2.812 111.522 108.800 -0.150 0.000 2.323 520 G HA2 -0.336 3.630 3.960 0.009 0.000 0.292 520 G HA3 -0.336 3.630 3.960 0.009 0.000 0.292 520 G C 0.014 174.895 174.900 -0.031 0.000 1.040 520 G CA 0.285 45.370 45.100 -0.024 0.000 0.942 520 G HN 0.938 nan 8.290 nan 0.000 0.506 521 R N -0.009 120.382 120.500 -0.182 0.000 2.638 521 R HA 0.381 4.726 4.340 0.009 0.000 0.268 521 R C 0.754 176.908 176.300 -0.244 0.000 1.006 521 R CA 0.940 56.864 56.100 -0.293 0.000 1.088 521 R CB 0.247 30.249 30.300 -0.496 0.000 0.950 521 R HN 0.827 nan 8.270 nan 0.000 0.419 522 S N 3.407 118.851 115.700 -0.427 0.000 2.607 522 S HA 0.563 5.038 4.470 0.009 0.000 0.273 522 S C -1.322 173.082 174.600 -0.327 0.000 1.148 522 S CA -1.064 56.992 58.200 -0.240 0.000 0.833 522 S CB 1.284 64.474 63.200 -0.018 0.000 1.130 522 S HN 0.619 nan 8.310 nan 0.000 0.470 523 W N 0.735 122.133 121.300 0.164 0.000 2.736 523 W HA 0.457 5.123 4.660 0.010 0.000 0.335 523 W C -1.226 175.380 176.519 0.145 0.000 1.059 523 W CA -0.410 57.062 57.345 0.211 0.000 1.226 523 W CB 2.046 31.759 29.460 0.422 0.000 1.416 523 W HN 0.639 nan 8.180 nan 0.000 0.505 524 D N 2.023 122.639 120.400 0.360 0.000 2.185 524 D HA 0.512 5.157 4.640 0.009 0.000 0.247 524 D C -0.449 176.101 176.300 0.418 0.000 1.027 524 D CA -0.328 53.854 54.000 0.303 0.000 0.861 524 D CB 2.059 42.974 40.800 0.192 0.000 1.202 524 D HN 0.086 nan 8.370 nan 0.000 0.453 525 I N 3.391 124.173 120.570 0.353 0.000 2.411 525 I HA 0.352 4.527 4.170 0.009 0.000 0.284 525 I C -0.760 175.586 176.117 0.381 0.000 1.012 525 I CA -0.893 60.586 61.300 0.298 0.000 1.119 525 I CB 0.375 38.461 38.000 0.143 0.000 1.261 525 I HN 0.211 nan 8.210 nan 0.000 0.448 526 F N 4.086 124.118 119.950 0.137 0.000 2.640 526 F HA 0.584 5.117 4.527 0.009 0.000 0.324 526 F C -0.609 175.250 175.800 0.098 0.000 1.077 526 F CA -1.294 56.778 58.000 0.120 0.000 0.965 526 F CB 1.011 40.061 39.000 0.085 0.000 1.351 526 F HN 0.182 nan 8.300 nan 0.000 0.487 527 N N 2.753 121.573 118.700 0.200 0.000 2.609 527 N HA 0.317 5.063 4.740 0.009 0.000 0.234 527 N C -2.061 173.541 175.510 0.155 0.000 1.001 527 N CA -2.513 50.575 53.050 0.063 0.000 0.926 527 N CB 1.280 39.808 38.487 0.069 0.000 1.130 527 N HN 0.444 nan 8.380 nan 0.000 0.510 528 P HA -0.022 nan 4.420 nan 0.000 0.239 528 P C -0.258 177.105 177.300 0.105 0.000 1.184 528 P CA 0.755 63.978 63.100 0.205 0.000 0.760 528 P CB 0.248 32.030 31.700 0.136 0.000 0.884 529 N N -0.562 118.171 118.700 0.054 0.000 2.322 529 N HA 0.079 4.825 4.740 0.009 0.000 0.194 529 N C 0.229 175.750 175.510 0.018 0.000 1.126 529 N CA 0.198 53.265 53.050 0.028 0.000 0.845 529 N CB 0.148 38.640 38.487 0.008 0.000 0.976 529 N HN 0.209 nan 8.380 nan 0.000 0.475 530 K N -0.034 120.383 120.400 0.029 0.000 2.509 530 K HA 0.631 4.956 4.320 0.009 0.000 0.266 530 K C -1.343 175.260 176.600 0.006 0.000 0.987 530 K CA -1.091 55.195 56.287 -0.001 0.000 0.868 530 K CB 2.826 35.306 32.500 -0.033 0.000 1.421 530 K HN -0.157 nan 8.250 nan 0.000 0.444 531 V N -1.575 118.326 119.914 -0.022 0.000 2.925 531 V HA 0.472 4.598 4.120 0.009 0.000 0.311 531 V C -0.785 175.283 176.094 -0.044 0.000 1.104 531 V CA -1.043 61.244 62.300 -0.023 0.000 0.954 531 V CB 1.867 33.681 31.823 -0.016 0.000 1.022 531 V HN 0.806 nan 8.190 nan 0.000 0.427 532 N N 5.118 123.801 118.700 -0.028 0.000 2.442 532 N HA 0.269 5.015 4.740 0.009 0.000 0.265 532 N C -1.345 174.151 175.510 -0.024 0.000 1.138 532 N CA -1.384 51.647 53.050 -0.033 0.000 0.956 532 N CB 1.907 40.428 38.487 0.056 0.000 1.067 532 N HN 0.661 nan 8.380 nan 0.000 0.474 533 P HA -0.119 nan 4.420 nan 0.000 0.228 533 P C 0.339 177.710 177.300 0.119 0.000 1.151 533 P CA 1.181 64.252 63.100 -0.048 0.000 0.770 533 P CB 0.178 31.789 31.700 -0.148 0.000 0.786 534 Y N 0.723 121.031 120.300 0.014 0.000 2.351 534 Y HA 0.024 4.579 4.550 0.009 0.000 0.291 534 Y C 2.911 178.827 175.900 0.026 0.000 1.153 534 Y CA 0.847 58.957 58.100 0.016 0.000 1.193 534 Y CB -1.258 37.213 38.460 0.019 0.000 1.187 534 Y HN 0.037 nan 8.280 nan 0.000 0.524 535 S N -0.903 114.942 115.700 0.242 0.000 2.461 535 S HA 0.167 4.642 4.470 0.009 0.000 0.228 535 S C 1.937 176.577 174.600 0.066 0.000 1.005 535 S CA 0.883 59.185 58.200 0.171 0.000 0.942 535 S CB -0.371 63.021 63.200 0.320 0.000 0.776 535 S HN 0.664 nan 8.310 nan 0.000 0.514 536 G N 0.959 109.787 108.800 0.047 0.000 2.179 536 G HA2 -0.218 3.747 3.960 0.009 0.000 0.260 536 G HA3 -0.218 3.747 3.960 0.009 0.000 0.260 536 G C 0.014 174.878 174.900 -0.060 0.000 0.977 536 G CA 0.427 45.525 45.100 -0.004 0.000 0.641 536 G HN 0.543 nan 8.290 nan 0.000 0.533 537 K N 1.075 121.403 120.400 -0.119 0.000 2.095 537 K HA 0.532 4.857 4.320 0.009 0.000 0.252 537 K C -2.305 174.211 176.600 -0.139 0.000 0.977 537 K CA -2.229 53.911 56.287 -0.245 0.000 0.900 537 K CB 1.411 33.521 32.500 -0.650 0.000 1.060 537 K HN 0.166 nan 8.250 nan 0.000 0.449 538 P HA 0.133 nan 4.420 nan 0.000 0.272 538 P C -2.480 174.864 177.300 0.073 0.000 1.223 538 P CA -1.281 61.833 63.100 0.023 0.000 0.784 538 P CB -0.163 31.632 31.700 0.159 0.000 0.923 539 P HA 0.058 nan 4.420 nan 0.000 0.271 539 P C -0.293 177.178 177.300 0.284 0.000 1.218 539 P CA 0.363 63.533 63.100 0.116 0.000 0.780 539 P CB 0.628 32.264 31.700 -0.106 0.000 0.901 540 S N 1.647 117.555 115.700 0.347 0.000 2.615 540 S HA 0.549 5.025 4.470 0.009 0.000 0.269 540 S C -1.912 172.830 174.600 0.237 0.000 1.161 540 S CA -0.676 57.735 58.200 0.353 0.000 0.817 540 S CB 1.025 64.400 63.200 0.291 0.000 1.131 540 S HN 0.290 nan 8.310 nan 0.000 0.467 541 Y N 1.026 121.389 120.300 0.105 0.000 2.350 541 Y HA 0.588 5.144 4.550 0.009 0.000 0.338 541 Y C 0.024 175.973 175.900 0.082 0.000 0.961 541 Y CA -0.476 57.641 58.100 0.029 0.000 1.100 541 Y CB 1.936 40.388 38.460 -0.013 0.000 1.179 541 Y HN 0.862 nan 8.280 nan 0.000 0.454 542 K N 4.653 125.099 120.400 0.076 0.000 2.213 542 K HA 0.450 4.775 4.320 0.009 0.000 0.270 542 K C -1.351 175.309 176.600 0.099 0.000 1.002 542 K CA -0.869 55.479 56.287 0.102 0.000 0.868 542 K CB 0.863 33.398 32.500 0.057 0.000 1.093 542 K HN 0.650 nan 8.250 nan 0.000 0.454 543 L N 5.605 126.904 121.223 0.126 0.000 2.313 543 L HA 0.233 4.579 4.340 0.009 0.000 0.282 543 L C -1.284 175.678 176.870 0.153 0.000 1.092 543 L CA 0.028 54.918 54.840 0.082 0.000 0.831 543 L CB 1.183 43.259 42.059 0.027 0.000 1.159 543 L HN 0.385 nan 8.230 nan 0.000 0.442 544 V N 5.127 125.083 119.914 0.069 0.000 2.284 544 V HA 0.483 4.608 4.120 0.009 0.000 0.274 544 V C -0.041 176.071 176.094 0.030 0.000 1.023 544 V CA -0.217 62.122 62.300 0.065 0.000 0.808 544 V CB 0.822 32.659 31.823 0.024 0.000 1.035 544 V HN 0.846 nan 8.190 nan 0.000 0.445 545 S N 2.711 118.463 115.700 0.087 0.000 2.594 545 S HA 0.551 5.027 4.470 0.009 0.000 0.296 545 S C 0.438 174.990 174.600 -0.080 0.000 1.124 545 S CA -0.216 58.028 58.200 0.073 0.000 1.011 545 S CB 2.119 65.473 63.200 0.256 0.000 1.016 545 S HN 0.675 nan 8.310 nan 0.000 0.485 546 T N 3.036 117.488 114.554 -0.170 0.000 2.954 546 T HA 0.223 4.578 4.350 0.009 0.000 0.252 546 T C 0.130 174.723 174.700 -0.179 0.000 0.983 546 T CA 0.241 62.085 62.100 -0.426 0.000 0.941 546 T CB 0.145 68.847 68.868 -0.277 0.000 1.141 546 T HN 0.632 nan 8.240 nan 0.000 0.500 547 Q N 1.244 121.045 119.800 0.002 0.000 3.006 547 Q HA 0.277 4.622 4.340 0.009 0.000 0.260 547 Q C -0.897 175.215 176.000 0.188 0.000 1.356 547 Q CA -0.269 55.594 55.803 0.100 0.000 1.070 547 Q CB -0.278 28.533 28.738 0.123 0.000 1.507 547 Q HN 0.330 nan 8.270 nan 0.000 0.568 548 C N 3.285 122.692 119.300 0.178 0.000 2.787 548 C HA 0.363 4.828 4.460 0.009 0.000 0.265 548 C C -1.870 173.256 174.990 0.226 0.000 1.190 548 C CA -1.743 57.422 59.018 0.246 0.000 1.616 548 C CB -0.609 27.357 27.740 0.375 0.000 1.732 548 C HN 0.544 nan 8.230 nan 0.000 0.433 549 P HA 0.299 nan 4.420 nan 0.000 0.275 549 P C -2.378 174.976 177.300 0.091 0.000 1.228 549 P CA -0.829 62.344 63.100 0.121 0.000 0.786 549 P CB 0.406 32.152 31.700 0.076 0.000 0.927 550 P HA 0.145 nan 4.420 nan 0.000 0.274 550 P C -0.475 176.812 177.300 -0.020 0.000 1.231 550 P CA -0.505 62.615 63.100 0.033 0.000 0.790 550 P CB 0.662 32.386 31.700 0.039 0.000 0.951 551 L N 3.037 124.215 121.223 -0.074 0.000 2.385 551 L HA 0.067 4.413 4.340 0.009 0.000 0.281 551 L C 1.217 178.030 176.870 -0.094 0.000 1.106 551 L CA 0.294 55.064 54.840 -0.118 0.000 0.856 551 L CB -0.592 41.354 42.059 -0.187 0.000 1.186 551 L HN 0.325 nan 8.230 nan 0.000 0.453 552 L N 4.744 125.921 121.223 -0.076 0.000 2.156 552 L HA 0.057 4.403 4.340 0.009 0.000 0.208 552 L C 1.490 178.319 176.870 -0.069 0.000 1.095 552 L CA 0.596 55.407 54.840 -0.047 0.000 0.770 552 L CB -0.544 41.502 42.059 -0.021 0.000 0.914 552 L HN 0.838 nan 8.230 nan 0.000 0.439 553 A N 0.663 123.419 122.820 -0.107 0.000 2.540 553 A HA 0.078 4.403 4.320 0.009 0.000 0.239 553 A C 0.311 177.820 177.584 -0.125 0.000 1.061 553 A CA -0.097 51.864 52.037 -0.127 0.000 0.758 553 A CB 0.017 18.917 19.000 -0.167 0.000 0.991 553 A HN 0.070 nan 8.150 nan 0.000 0.502 554 K N 1.038 121.370 120.400 -0.114 0.000 2.440 554 K HA 0.065 4.390 4.320 0.009 0.000 0.270 554 K C 0.605 177.132 176.600 -0.121 0.000 0.980 554 K CA 0.359 56.585 56.287 -0.102 0.000 0.953 554 K CB 0.347 32.793 32.500 -0.090 0.000 0.925 554 K HN 0.795 nan 8.250 nan 0.000 0.497 555 E N 0.634 120.771 120.200 -0.106 0.000 2.376 555 E HA 0.118 4.473 4.350 0.009 0.000 0.266 555 E C 0.435 176.968 176.600 -0.112 0.000 1.009 555 E CA 0.813 57.146 56.400 -0.111 0.000 0.902 555 E CB 0.095 29.742 29.700 -0.087 0.000 0.972 555 E HN 0.700 nan 8.360 nan 0.000 0.439 556 G N 3.155 111.876 108.800 -0.132 0.000 2.176 556 G HA2 -0.309 3.656 3.960 0.009 0.000 0.253 556 G HA3 -0.309 3.656 3.960 0.009 0.000 0.253 556 G C 0.195 175.002 174.900 -0.155 0.000 0.979 556 G CA 0.379 45.399 45.100 -0.134 0.000 0.641 556 G HN 0.806 nan 8.290 nan 0.000 0.530 557 S N -0.647 114.950 115.700 -0.171 0.000 2.645 557 S HA 0.683 5.158 4.470 0.009 0.000 0.266 557 S C 1.594 176.047 174.600 -0.245 0.000 1.258 557 S CA -0.114 57.973 58.200 -0.187 0.000 0.990 557 S CB 1.724 64.814 63.200 -0.184 0.000 0.967 557 S HN 0.441 nan 8.310 nan 0.000 0.556 558 L N 0.799 121.868 121.223 -0.258 0.000 1.990 558 L HA -0.126 4.220 4.340 0.009 0.000 0.213 558 L C 2.549 179.169 176.870 -0.418 0.000 1.072 558 L CA 1.553 56.198 54.840 -0.325 0.000 0.755 558 L CB -0.584 41.296 42.059 -0.298 0.000 0.889 558 L HN 0.692 nan 8.230 nan 0.000 0.432 559 V N -0.236 119.407 119.914 -0.453 0.000 2.295 559 V HA -0.309 3.817 4.120 0.009 0.000 0.246 559 V C 2.679 178.575 176.094 -0.329 0.000 1.049 559 V CA 1.831 63.886 62.300 -0.408 0.000 1.024 559 V CB -0.854 30.768 31.823 -0.334 0.000 0.648 559 V HN 0.564 nan 8.190 nan 0.000 0.447 560 A N -0.488 122.152 122.820 -0.300 0.000 1.972 560 A HA -0.201 4.124 4.320 0.009 0.000 0.219 560 A C 2.281 179.689 177.584 -0.293 0.000 1.169 560 A CA 1.719 53.584 52.037 -0.287 0.000 0.635 560 A CB -0.344 18.517 19.000 -0.231 0.000 0.810 560 A HN 0.560 nan 8.150 nan 0.000 0.446 561 K N -0.619 119.589 120.400 -0.320 0.000 2.116 561 K HA -0.029 4.296 4.320 0.009 0.000 0.203 561 K C 1.974 178.287 176.600 -0.478 0.000 1.052 561 K CA 1.091 57.153 56.287 -0.374 0.000 0.952 561 K CB -0.122 32.119 32.500 -0.432 0.000 0.729 561 K HN 0.392 nan 8.250 nan 0.000 0.446 562 R N 0.300 120.524 120.500 -0.459 0.000 2.275 562 R HA 0.086 4.432 4.340 0.009 0.000 0.199 562 R C 0.549 176.834 176.300 -0.026 0.000 0.989 562 R CA 0.428 56.321 56.100 -0.346 0.000 1.016 562 R CB 0.370 30.558 30.300 -0.186 0.000 0.918 562 R HN -0.000 nan 8.270 nan 0.000 0.473 563 A N 1.481 124.167 122.820 -0.223 0.000 3.258 563 A HA 0.284 4.609 4.320 0.009 0.000 0.318 563 A C -2.008 175.176 177.584 -0.667 0.000 0.990 563 A CA -1.155 50.588 52.037 -0.491 0.000 0.885 563 A CB 0.582 19.146 19.000 -0.726 0.000 1.090 563 A HN -0.080 nan 8.150 nan 0.000 0.479 564 P HA -0.172 nan 4.420 nan 0.000 0.219 564 P C 1.358 178.554 177.300 -0.174 0.000 1.146 564 P CA 1.111 64.090 63.100 -0.200 0.000 0.808 564 P CB -0.210 31.455 31.700 -0.058 0.000 0.779 565 W N 0.078 121.337 121.300 -0.069 0.000 2.519 565 W HA 0.239 4.904 4.660 0.008 0.000 0.266 565 W C 1.560 178.078 176.519 -0.001 0.000 1.253 565 W CA 0.572 57.890 57.345 -0.046 0.000 1.274 565 W CB -1.703 27.712 29.460 -0.076 0.000 1.114 565 W HN -0.079 nan 8.180 nan 0.000 0.596 566 A N 1.205 123.586 122.820 -0.731 0.000 2.119 566 A HA -0.045 4.280 4.320 0.009 0.000 0.217 566 A C 2.081 179.504 177.584 -0.268 0.000 1.153 566 A CA 1.432 53.123 52.037 -0.576 0.000 0.692 566 A CB -0.767 17.624 19.000 -1.015 0.000 0.799 566 A HN 0.213 nan 8.150 nan 0.000 0.458 567 S N -0.570 114.978 115.700 -0.253 0.000 2.474 567 S HA -0.018 4.458 4.470 0.009 0.000 0.235 567 S C 0.192 174.507 174.600 -0.475 0.000 0.997 567 S CA 0.747 58.748 58.200 -0.331 0.000 0.949 567 S CB -0.273 62.714 63.200 -0.354 0.000 0.766 567 S HN 0.796 nan 8.310 nan 0.000 0.517 568 H N -1.312 117.761 119.070 0.005 0.000 2.768 568 H HA 0.411 4.972 4.556 0.009 0.000 0.371 568 H C 0.650 176.033 175.328 0.093 0.000 1.151 568 H CA -0.522 55.558 56.048 0.054 0.000 1.165 568 H CB 1.433 31.212 29.762 0.029 0.000 1.722 568 H HN -0.126 nan 8.280 nan 0.000 0.543 569 S N 0.618 116.473 115.700 0.258 0.000 2.402 569 S HA 0.008 4.484 4.470 0.009 0.000 0.229 569 S C 0.498 175.179 174.600 0.134 0.000 1.021 569 S CA 0.615 58.946 58.200 0.219 0.000 0.974 569 S CB 0.292 63.714 63.200 0.370 0.000 0.800 569 S HN 0.250 nan 8.310 nan 0.000 0.484 570 V N 2.545 122.464 119.914 0.009 0.000 2.709 570 V HA 0.430 4.555 4.120 0.009 0.000 0.308 570 V C -1.049 174.924 176.094 -0.202 0.000 1.062 570 V CA -0.951 61.198 62.300 -0.252 0.000 0.901 570 V CB 2.057 33.455 31.823 -0.709 0.000 1.003 570 V HN 0.248 nan 8.190 nan 0.000 0.425 571 N N 3.029 121.602 118.700 -0.213 0.000 2.410 571 N HA 0.590 5.336 4.740 0.009 0.000 0.287 571 N C -1.492 173.934 175.510 -0.140 0.000 1.044 571 N CA -0.306 52.671 53.050 -0.121 0.000 0.881 571 N CB 2.754 41.280 38.487 0.065 0.000 1.405 571 N HN 0.343 nan 8.380 nan 0.000 0.490 572 V N 2.183 122.008 119.914 -0.148 0.000 2.443 572 V HA 0.478 4.604 4.120 0.009 0.000 0.293 572 V C 0.153 176.282 176.094 0.058 0.000 1.021 572 V CA -0.774 61.509 62.300 -0.030 0.000 0.848 572 V CB 1.607 33.430 31.823 0.001 0.000 0.998 572 V HN 0.482 nan 8.190 nan 0.000 0.424 573 V N 3.430 123.428 119.914 0.140 0.000 3.074 573 V HA 0.811 4.937 4.120 0.009 0.000 0.314 573 V C -2.722 173.427 176.094 0.091 0.000 1.117 573 V CA -2.784 59.585 62.300 0.115 0.000 1.014 573 V CB 2.333 34.250 31.823 0.156 0.000 1.057 573 V HN 0.604 nan 8.190 nan 0.000 0.438 574 P HA 0.136 nan 4.420 nan 0.000 0.272 574 P C -1.154 176.142 177.300 -0.007 0.000 1.223 574 P CA 0.154 63.282 63.100 0.047 0.000 0.784 574 P CB 0.313 32.033 31.700 0.034 0.000 0.923 575 Y N 2.607 122.874 120.300 -0.055 0.000 2.411 575 Y HA 0.319 4.875 4.550 0.009 0.000 0.333 575 Y C 0.125 175.952 175.900 -0.122 0.000 1.186 575 Y CA 0.664 58.703 58.100 -0.101 0.000 1.381 575 Y CB 0.607 39.023 38.460 -0.074 0.000 1.273 575 Y HN 0.259 nan 8.280 nan 0.000 0.546 576 K N 3.682 123.315 120.400 -1.279 0.000 2.546 576 K HA 0.261 4.587 4.320 0.009 0.000 0.264 576 K C -1.701 174.203 176.600 -1.160 0.000 0.937 576 K CA -0.707 55.070 56.287 -0.850 0.000 0.833 576 K CB 1.287 33.483 32.500 -0.506 0.000 1.378 576 K HN 0.620 nan 8.250 nan 0.000 0.432 577 D N 2.194 122.269 120.400 -0.542 0.000 2.399 577 D HA 0.074 4.719 4.640 0.009 0.000 0.241 577 D C -0.038 176.072 176.300 -0.317 0.000 1.133 577 D CA 0.691 54.511 54.000 -0.300 0.000 0.890 577 D CB 0.473 41.239 40.800 -0.055 0.000 1.201 577 D HN 0.557 nan 8.370 nan 0.000 0.432 578 N N 1.092 119.636 118.700 -0.259 0.000 2.782 578 N HA -0.222 4.523 4.740 0.009 0.000 0.251 578 N C -0.450 174.869 175.510 -0.319 0.000 1.101 578 N CA 0.525 53.423 53.050 -0.254 0.000 0.764 578 N CB -0.818 37.561 38.487 -0.180 0.000 1.122 578 N HN 0.450 nan 8.380 nan 0.000 0.561 579 R N 0.836 121.034 120.500 -0.503 0.000 3.171 579 R HA 0.335 4.681 4.340 0.009 0.000 0.241 579 R C 1.262 177.223 176.300 -0.565 0.000 1.421 579 R CA -0.139 55.496 56.100 -0.775 0.000 1.444 579 R CB 0.326 29.812 30.300 -1.357 0.000 1.247 579 R HN 0.213 nan 8.270 nan 0.000 0.636 580 L N 0.640 121.634 121.223 -0.381 0.000 2.435 580 L HA 0.197 4.542 4.340 0.009 0.000 0.195 580 L C -0.086 176.615 176.870 -0.282 0.000 1.072 580 L CA 0.387 54.911 54.840 -0.526 0.000 0.833 580 L CB 0.099 41.423 42.059 -1.225 0.000 1.081 580 L HN 0.343 nan 8.230 nan 0.000 0.485 581 Y N 0.878 121.319 120.300 0.235 0.000 2.518 581 Y HA 0.263 4.819 4.550 0.009 0.000 0.344 581 Y C -1.653 174.255 175.900 0.014 0.000 0.982 581 Y CA -3.325 54.834 58.100 0.098 0.000 1.234 581 Y CB -0.217 38.211 38.460 -0.054 0.000 1.114 581 Y HN -0.036 nan 8.280 nan 0.000 0.515 582 P HA -0.147 nan 4.420 nan 0.000 0.218 582 P C 0.736 177.929 177.300 -0.178 0.000 1.146 582 P CA 1.544 64.410 63.100 -0.390 0.000 0.813 582 P CB 0.395 31.759 31.700 -0.560 0.000 0.778 583 S N -1.244 114.460 115.700 0.007 0.000 2.574 583 S HA 0.498 4.973 4.470 0.009 0.000 0.242 583 S C 0.679 175.185 174.600 -0.157 0.000 0.982 583 S CA 0.224 58.499 58.200 0.125 0.000 0.977 583 S CB -0.313 63.097 63.200 0.349 0.000 0.814 583 S HN 0.424 nan 8.310 nan 0.000 0.464 584 G N 1.456 110.092 108.800 -0.275 0.000 2.707 584 G HA2 -0.154 3.812 3.960 0.009 0.000 0.686 584 G HA3 -0.154 3.812 3.960 0.009 0.000 0.686 584 G C -0.387 174.410 174.900 -0.173 0.000 1.315 584 G CA -0.427 44.466 45.100 -0.345 0.000 0.832 584 G HN 0.229 nan 8.290 nan 0.000 0.573 585 D N -0.096 120.185 120.400 -0.200 0.000 2.194 585 D HA 0.048 4.693 4.640 0.009 0.000 0.204 585 D C 0.780 176.746 176.300 -0.556 0.000 0.964 585 D CA 1.306 55.132 54.000 -0.290 0.000 0.846 585 D CB 0.025 40.628 40.800 -0.328 0.000 0.962 585 D HN 0.486 nan 8.370 nan 0.000 0.490 586 H N 0.420 119.452 119.070 -0.064 0.000 2.736 586 H HA 0.236 4.800 4.556 0.013 0.000 0.271 586 H C 1.013 176.318 175.328 -0.038 0.000 1.184 586 H CA -0.283 55.745 56.048 -0.034 0.000 1.378 586 H CB 1.419 31.173 29.762 -0.013 0.000 1.428 586 H HN -0.206 nan 8.280 nan 0.000 0.500 587 V N 3.568 123.509 119.914 0.046 0.000 2.346 587 V HA -0.041 4.084 4.120 0.009 0.000 0.244 587 V C -1.551 174.639 176.094 0.160 0.000 1.037 587 V CA 0.638 62.999 62.300 0.102 0.000 1.029 587 V CB -1.085 30.762 31.823 0.041 0.000 0.663 587 V HN 0.449 nan 8.190 nan 0.000 0.454 588 P HA -0.005 nan 4.420 nan 0.000 0.261 588 P C 0.360 177.769 177.300 0.182 0.000 1.173 588 P CA 0.921 64.077 63.100 0.094 0.000 0.760 588 P CB 0.034 31.759 31.700 0.041 0.000 0.783 589 Q N -1.703 118.231 119.800 0.222 0.000 2.305 589 Q HA -0.241 4.104 4.340 0.009 0.000 0.203 589 Q C -0.183 176.070 176.000 0.422 0.000 0.663 589 Q CA 0.605 56.607 55.803 0.332 0.000 1.389 589 Q CB -1.738 27.146 28.738 0.243 0.000 1.566 589 Q HN 0.542 nan 8.270 nan 0.000 0.755 590 W N 1.907 123.277 121.300 0.116 0.000 2.253 590 W HA 0.253 4.918 4.660 0.009 0.000 0.322 590 W C 1.275 177.675 176.519 -0.199 0.000 1.342 590 W CA 0.199 57.546 57.345 0.004 0.000 1.218 590 W CB 0.552 30.003 29.460 -0.014 0.000 1.205 590 W HN 0.119 nan 8.180 nan 0.000 0.551 591 S N 3.517 118.732 115.700 -0.808 0.000 2.489 591 S HA 0.122 4.598 4.470 0.009 0.000 0.228 591 S C 1.583 175.351 174.600 -1.386 0.000 0.995 591 S CA 0.812 58.147 58.200 -1.442 0.000 0.934 591 S CB -0.367 62.250 63.200 -0.971 0.000 0.771 591 S HN 1.718 nan 8.310 nan 0.000 0.522 592 G N 0.622 108.057 108.800 -2.275 0.000 2.176 592 G HA2 -0.170 3.795 3.960 0.009 0.000 0.232 592 G HA3 -0.170 3.795 3.960 0.009 0.000 0.232 592 G C -0.442 173.832 174.900 -1.044 0.000 0.986 592 G CA 0.090 43.872 45.100 -2.197 0.000 0.643 592 G HN 0.564 nan 8.290 nan 0.000 0.522 593 D N 1.105 121.132 120.400 -0.622 0.000 2.210 593 D HA 0.562 5.207 4.640 0.009 0.000 0.249 593 D C 0.723 177.152 176.300 0.214 0.000 1.078 593 D CA 1.457 55.372 54.000 -0.142 0.000 0.875 593 D CB 1.363 42.092 40.800 -0.119 0.000 1.175 593 D HN 1.368 nan 8.370 nan 0.000 0.440 594 G N 0.087 108.999 108.800 0.187 0.000 2.428 594 G HA2 -0.076 3.889 3.960 0.009 0.000 0.681 594 G HA3 -0.076 3.889 3.960 0.009 0.000 0.681 594 G C -1.019 173.976 174.900 0.158 0.000 1.340 594 G CA -0.981 44.243 45.100 0.206 0.000 0.915 594 G HN 0.331 nan 8.290 nan 0.000 0.645 595 V N 2.260 122.203 119.914 0.049 0.000 2.258 595 V HA 0.610 4.735 4.120 0.009 0.000 0.258 595 V C 0.795 176.829 176.094 -0.099 0.000 1.121 595 V CA 0.488 62.779 62.300 -0.016 0.000 0.942 595 V CB -0.386 31.428 31.823 -0.016 0.000 1.170 595 V HN 1.001 nan 8.190 nan 0.000 0.487 596 R N 2.348 122.735 120.500 -0.189 0.000 2.817 596 R HA 0.868 5.214 4.340 0.009 0.000 0.268 596 R C 0.485 176.471 176.300 -0.524 0.000 1.027 596 R CA -0.119 55.772 56.100 -0.349 0.000 0.928 596 R CB 1.220 31.227 30.300 -0.488 0.000 1.228 596 R HN 0.720 nan 8.270 nan 0.000 0.469 597 G N 1.090 109.475 108.800 -0.692 0.000 2.574 597 G HA2 -0.434 3.532 3.960 0.009 0.000 0.282 597 G HA3 -0.434 3.532 3.960 0.009 0.000 0.282 597 G C 0.550 174.356 174.900 -1.824 0.000 1.257 597 G CA 0.831 45.235 45.100 -1.161 0.000 0.956 597 G HN 0.803 nan 8.290 nan 0.000 0.560 598 M N 0.308 119.041 119.600 -1.445 0.000 2.144 598 M HA -0.049 4.436 4.480 0.009 0.000 0.260 598 M C 2.408 178.440 176.300 -0.447 0.000 1.067 598 M CA 2.878 57.648 55.300 -0.884 0.000 1.095 598 M CB -0.384 31.993 32.600 -0.372 0.000 1.365 598 M HN 0.631 nan 8.290 nan 0.000 0.406 599 R N -0.435 119.860 120.500 -0.342 0.000 2.092 599 R HA -0.173 4.172 4.340 0.009 0.000 0.231 599 R C 2.217 178.418 176.300 -0.165 0.000 1.119 599 R CA 1.845 57.846 56.100 -0.165 0.000 0.970 599 R CB -0.334 29.924 30.300 -0.070 0.000 0.864 599 R HN 0.667 nan 8.270 nan 0.000 0.440 600 E N -0.416 119.612 120.200 -0.287 0.000 2.046 600 E HA -0.168 4.187 4.350 0.009 0.000 0.190 600 E C 1.380 177.985 176.600 0.008 0.000 0.982 600 E CA 1.028 57.336 56.400 -0.154 0.000 0.800 600 E CB -0.086 29.507 29.700 -0.178 0.000 0.756 600 E HN 0.403 nan 8.360 nan 0.000 0.449 601 W N 0.789 122.039 121.300 -0.084 0.000 2.363 601 W HA -0.081 4.584 4.660 0.008 0.000 0.296 601 W C 2.109 178.590 176.519 -0.063 0.000 1.212 601 W CA 0.293 57.587 57.345 -0.084 0.000 1.260 601 W CB -0.908 28.481 29.460 -0.119 0.000 1.131 601 W HN 0.169 nan 8.180 nan 0.000 0.530 602 I N -0.024 120.615 120.570 0.115 0.000 2.315 602 I HA -0.097 4.079 4.170 0.009 0.000 0.248 602 I C 2.103 178.240 176.117 0.032 0.000 1.117 602 I CA 1.367 62.696 61.300 0.048 0.000 1.404 602 I CB -1.064 36.932 38.000 -0.006 0.000 1.071 602 I HN 0.083 nan 8.210 nan 0.000 0.419 603 G N 2.328 111.143 108.800 0.025 0.000 2.596 603 G HA2 -0.425 3.540 3.960 0.009 0.000 0.295 603 G HA3 -0.425 3.540 3.960 0.009 0.000 0.295 603 G C 0.400 175.305 174.900 0.007 0.000 1.240 603 G CA 0.705 45.816 45.100 0.019 0.000 0.985 603 G HN 0.539 nan 8.290 nan 0.000 0.555 604 D N 0.900 121.306 120.400 0.010 0.000 2.328 604 D HA 0.392 5.037 4.640 0.009 0.000 0.226 604 D C 1.817 178.118 176.300 0.002 0.000 1.066 604 D CA 1.172 55.175 54.000 0.005 0.000 0.861 604 D CB -0.378 40.426 40.800 0.008 0.000 0.912 604 D HN 2.143 nan 8.370 nan 0.000 0.521 605 G N 0.251 109.052 108.800 0.002 0.000 2.184 605 G HA2 -0.377 3.589 3.960 0.009 0.000 0.264 605 G HA3 -0.377 3.589 3.960 0.009 0.000 0.264 605 G C 1.162 176.064 174.900 0.004 0.000 0.975 605 G CA 0.846 45.942 45.100 -0.007 0.000 0.642 605 G HN 0.742 nan 8.290 nan 0.000 0.536 606 S N -0.455 115.253 115.700 0.013 0.000 2.558 606 S HA 0.336 4.811 4.470 0.009 0.000 0.217 606 S C 0.660 175.276 174.600 0.028 0.000 0.975 606 S CA 0.776 58.988 58.200 0.021 0.000 0.912 606 S CB 0.372 63.584 63.200 0.020 0.000 0.776 606 S HN 0.597 nan 8.310 nan 0.000 0.526 607 E N 2.518 122.736 120.200 0.030 0.000 2.398 607 E HA 0.236 4.591 4.350 0.009 0.000 0.263 607 E C -0.149 176.477 176.600 0.044 0.000 1.046 607 E CA -0.316 56.105 56.400 0.035 0.000 0.908 607 E CB 0.246 29.968 29.700 0.036 0.000 0.963 607 E HN 0.438 nan 8.360 nan 0.000 0.431 608 N N 2.222 120.950 118.700 0.046 0.000 2.513 608 N HA 0.034 4.780 4.740 0.009 0.000 0.268 608 N C -0.098 175.450 175.510 0.064 0.000 1.180 608 N CA 0.138 53.222 53.050 0.056 0.000 0.948 608 N CB 0.396 38.913 38.487 0.049 0.000 1.083 608 N HN 0.586 nan 8.380 nan 0.000 0.455 609 I N -1.602 119.019 120.570 0.084 0.000 3.966 609 I HA 0.416 4.591 4.170 0.009 0.000 0.324 609 I C -0.458 175.715 176.117 0.093 0.000 1.517 609 I CA -0.526 60.832 61.300 0.098 0.000 1.117 609 I CB 0.238 38.316 38.000 0.130 0.000 1.190 609 I HN 0.275 nan 8.210 nan 0.000 0.466 610 D N 2.657 123.101 120.400 0.074 0.000 2.373 610 D HA 0.242 4.887 4.640 0.009 0.000 0.227 610 D C 0.194 176.500 176.300 0.010 0.000 1.091 610 D CA 0.035 54.063 54.000 0.046 0.000 0.840 610 D CB 0.434 41.280 40.800 0.077 0.000 1.060 610 D HN 0.381 nan 8.370 nan 0.000 0.502 611 N N 3.182 121.856 118.700 -0.043 0.000 2.726 611 N HA -0.193 4.552 4.740 0.009 0.000 0.253 611 N C -1.029 174.473 175.510 -0.014 0.000 1.059 611 N CA 0.896 53.919 53.050 -0.045 0.000 0.701 611 N CB -0.728 37.747 38.487 -0.021 0.000 0.899 611 N HN 0.576 nan 8.380 nan 0.000 0.548 612 T N -2.349 112.200 114.554 -0.008 0.000 2.598 612 T HA 0.305 4.661 4.350 0.009 0.000 0.289 612 T C -1.353 173.353 174.700 0.010 0.000 1.056 612 T CA -0.864 61.242 62.100 0.010 0.000 1.088 612 T CB 0.948 69.835 68.868 0.033 0.000 1.519 612 T HN -0.047 nan 8.240 nan 0.000 0.488 613 D N 1.564 121.981 120.400 0.028 0.000 2.280 613 D HA 0.568 5.214 4.640 0.009 0.000 0.243 613 D C -0.020 176.345 176.300 0.109 0.000 1.129 613 D CA -0.275 53.742 54.000 0.028 0.000 0.848 613 D CB 0.761 41.559 40.800 -0.002 0.000 1.107 613 D HN 0.682 nan 8.370 nan 0.000 0.471 614 I N -1.814 118.822 120.570 0.110 0.000 3.108 614 I HA 0.602 4.777 4.170 0.009 0.000 0.312 614 I C -1.202 175.017 176.117 0.170 0.000 1.095 614 I CA -1.152 60.236 61.300 0.146 0.000 1.000 614 I CB 2.044 40.129 38.000 0.142 0.000 1.229 614 I HN 0.016 nan 8.210 nan 0.000 0.454 615 L N 2.844 124.169 121.223 0.170 0.000 2.381 615 L HA 0.478 4.824 4.340 0.009 0.000 0.274 615 L C -1.490 175.498 176.870 0.197 0.000 0.988 615 L CA -0.469 54.447 54.840 0.127 0.000 0.824 615 L CB 2.246 44.378 42.059 0.122 0.000 1.263 615 L HN 0.529 nan 8.230 nan 0.000 0.410 616 F N 3.975 123.872 119.950 -0.088 0.000 2.375 616 F HA 0.521 5.053 4.527 0.009 0.000 0.361 616 F C -0.987 174.731 175.800 -0.138 0.000 1.117 616 F CA -0.693 57.301 58.000 -0.011 0.000 1.037 616 F CB 0.665 39.656 39.000 -0.016 0.000 1.192 616 F HN 0.112 nan 8.300 nan 0.000 0.452 617 F N 5.452 125.454 119.950 0.087 0.000 2.388 617 F HA 0.273 4.805 4.527 0.009 0.000 0.358 617 F C -0.184 175.713 175.800 0.162 0.000 1.122 617 F CA -0.681 57.408 58.000 0.149 0.000 1.056 617 F CB 0.696 39.765 39.000 0.116 0.000 1.155 617 F HN 0.426 nan 8.300 nan 0.000 0.461 618 H N 1.652 120.909 119.070 0.312 0.000 2.476 618 H HA 0.466 5.028 4.556 0.009 0.000 0.328 618 H C -0.782 174.767 175.328 0.367 0.000 1.073 618 H CA -0.583 55.625 56.048 0.266 0.000 1.229 618 H CB 1.149 31.083 29.762 0.285 0.000 1.432 618 H HN 0.509 nan 8.280 nan 0.000 0.477 619 T N 7.554 122.101 114.554 -0.012 0.000 2.749 619 T HA 0.422 4.777 4.350 0.009 0.000 0.287 619 T C -0.861 173.741 174.700 -0.163 0.000 0.970 619 T CA -0.367 61.776 62.100 0.072 0.000 0.980 619 T CB -0.289 68.724 68.868 0.242 0.000 0.924 619 T HN 0.496 nan 8.240 nan 0.000 0.456 620 F N 0.328 120.189 119.950 -0.147 0.000 2.664 620 F HA 0.969 5.502 4.527 0.009 0.000 0.317 620 F C 0.140 176.072 175.800 0.219 0.000 1.108 620 F CA -0.868 57.097 58.000 -0.059 0.000 0.957 620 F CB 1.131 40.058 39.000 -0.122 0.000 1.365 620 F HN 0.874 nan 8.300 nan 0.000 0.475 621 G N 0.332 109.255 108.800 0.206 0.000 2.356 621 G HA2 0.427 4.392 3.960 0.009 0.000 0.266 621 G HA3 0.427 4.392 3.960 0.009 0.000 0.266 621 G C -1.996 173.020 174.900 0.193 0.000 1.312 621 G CA -0.344 44.892 45.100 0.226 0.000 0.922 621 G HN 1.545 nan 8.290 nan 0.000 0.480 622 I N -2.965 117.702 120.570 0.161 0.000 3.074 622 I HA 0.847 5.022 4.170 0.009 0.000 0.310 622 I C -0.837 175.294 176.117 0.022 0.000 1.153 622 I CA -1.035 60.316 61.300 0.085 0.000 0.993 622 I CB 2.316 40.343 38.000 0.044 0.000 1.237 622 I HN 0.444 nan 8.210 nan 0.000 0.443 623 T N 1.412 115.942 114.554 -0.039 0.000 2.788 623 T HA 0.286 4.641 4.350 0.009 0.000 0.296 623 T C -0.723 173.803 174.700 -0.289 0.000 1.009 623 T CA -0.064 61.912 62.100 -0.206 0.000 0.949 623 T CB -0.265 68.493 68.868 -0.183 0.000 0.946 623 T HN 0.569 nan 8.240 nan 0.000 0.453 624 H N 3.337 122.073 119.070 -0.557 0.000 2.705 624 H HA 0.328 4.889 4.556 0.009 0.000 0.291 624 H C -0.958 173.976 175.328 -0.656 0.000 1.085 624 H CA -0.920 54.817 56.048 -0.518 0.000 1.357 624 H CB 0.182 29.632 29.762 -0.520 0.000 1.419 624 H HN 0.405 nan 8.280 nan 0.000 0.462 625 F N 6.870 126.901 119.950 0.136 0.000 2.293 625 F HA 0.266 4.799 4.527 0.009 0.000 0.370 625 F C -1.868 173.984 175.800 0.087 0.000 1.090 625 F CA -2.553 55.476 58.000 0.049 0.000 1.133 625 F CB 0.705 39.740 39.000 0.058 0.000 1.360 625 F HN 0.548 nan 8.300 nan 0.000 0.489 626 P HA 0.248 nan 4.420 nan 0.000 0.267 626 P C -0.752 176.642 177.300 0.158 0.000 1.195 626 P CA 0.033 63.185 63.100 0.086 0.000 0.773 626 P CB 0.752 32.474 31.700 0.036 0.000 0.837 627 A N 3.403 126.321 122.820 0.163 0.000 2.587 627 A HA 0.579 4.904 4.320 0.009 0.000 0.293 627 A C -2.188 175.478 177.584 0.136 0.000 1.087 627 A CA -1.344 50.773 52.037 0.133 0.000 0.692 627 A CB 0.817 19.898 19.000 0.135 0.000 1.291 627 A HN 0.236 nan 8.150 nan 0.000 0.407 628 P HA -0.186 nan 4.420 nan 0.000 0.217 628 P C 0.822 178.228 177.300 0.177 0.000 1.148 628 P CA 1.707 64.896 63.100 0.149 0.000 0.834 628 P CB 0.279 32.050 31.700 0.119 0.000 0.783 629 E N -0.650 119.633 120.200 0.139 0.000 2.209 629 E HA -0.176 4.179 4.350 0.009 0.000 0.196 629 E C 1.373 178.054 176.600 0.135 0.000 0.993 629 E CA 1.160 57.632 56.400 0.120 0.000 0.819 629 E CB -0.780 28.977 29.700 0.094 0.000 0.745 629 E HN 0.374 nan 8.360 nan 0.000 0.477 630 D N -0.989 119.523 120.400 0.185 0.000 2.363 630 D HA -0.026 4.620 4.640 0.009 0.000 0.220 630 D C -0.148 176.294 176.300 0.236 0.000 0.994 630 D CA 0.418 54.543 54.000 0.209 0.000 0.890 630 D CB 0.089 41.067 40.800 0.297 0.000 0.906 630 D HN 0.075 nan 8.370 nan 0.000 0.530 631 F N 1.162 121.140 119.950 0.047 0.000 2.538 631 F HA 0.307 4.840 4.527 0.009 0.000 0.325 631 F C -1.676 174.139 175.800 0.025 0.000 1.066 631 F CA -2.355 55.660 58.000 0.025 0.000 0.946 631 F CB 2.121 41.145 39.000 0.041 0.000 1.199 631 F HN -0.314 nan 8.300 nan 0.000 0.473 632 P HA 0.050 nan 4.420 nan 0.000 0.240 632 P C -0.417 176.519 177.300 -0.606 0.000 1.190 632 P CA 0.891 63.197 63.100 -1.324 0.000 0.781 632 P CB 1.087 32.235 31.700 -0.920 0.000 0.931 633 L N 0.516 121.509 121.223 -0.382 0.000 2.409 633 L HA 0.475 4.821 4.340 0.009 0.000 0.272 633 L C -0.402 176.333 176.870 -0.225 0.000 0.980 633 L CA -1.136 53.429 54.840 -0.459 0.000 0.826 633 L CB 2.647 44.212 42.059 -0.824 0.000 1.268 633 L HN -0.145 nan 8.230 nan 0.000 0.407 634 M N 6.649 126.166 119.600 -0.138 0.000 2.180 634 M HA 0.444 4.930 4.480 0.009 0.000 0.358 634 M C -2.345 173.919 176.300 -0.060 0.000 1.233 634 M CA -1.202 54.082 55.300 -0.027 0.000 1.114 634 M CB 1.362 34.017 32.600 0.091 0.000 1.594 634 M HN 0.260 nan 8.290 nan 0.000 0.467 635 P HA 0.117 nan 4.420 nan 0.000 0.271 635 P C -1.169 176.097 177.300 -0.057 0.000 1.216 635 P CA -0.086 62.985 63.100 -0.049 0.000 0.771 635 P CB 0.634 32.319 31.700 -0.024 0.000 0.864 636 A N 2.897 125.674 122.820 -0.071 0.000 2.566 636 A HA -0.032 4.294 4.320 0.009 0.000 0.245 636 A C 0.437 177.966 177.584 -0.091 0.000 1.056 636 A CA 0.442 52.429 52.037 -0.085 0.000 0.757 636 A CB -0.590 18.368 19.000 -0.070 0.000 0.979 636 A HN 0.577 nan 8.150 nan 0.000 0.508 637 E N 3.921 124.044 120.200 -0.127 0.000 2.156 637 E HA 0.435 4.790 4.350 0.009 0.000 0.279 637 E C -2.483 174.042 176.600 -0.126 0.000 0.965 637 E CA -2.257 54.062 56.400 -0.134 0.000 0.789 637 E CB 1.459 31.037 29.700 -0.203 0.000 1.098 637 E HN 0.536 nan 8.360 nan 0.000 0.397 638 P HA 0.313 nan 4.420 nan 0.000 0.282 638 P C -0.722 176.536 177.300 -0.070 0.000 1.249 638 P CA -0.220 62.829 63.100 -0.085 0.000 0.806 638 P CB 1.247 32.900 31.700 -0.078 0.000 0.984 639 I N 0.771 121.300 120.570 -0.069 0.000 2.656 639 I HA 0.462 4.638 4.170 0.009 0.000 0.292 639 I C -0.166 175.901 176.117 -0.083 0.000 1.144 639 I CA -0.452 60.828 61.300 -0.033 0.000 1.038 639 I CB 2.602 40.605 38.000 0.005 0.000 1.244 639 I HN 0.307 nan 8.210 nan 0.000 0.420 640 T N 6.680 121.175 114.554 -0.099 0.000 2.853 640 T HA 0.744 5.100 4.350 0.009 0.000 0.311 640 T C -1.944 172.614 174.700 -0.236 0.000 1.307 640 T CA -0.542 61.445 62.100 -0.190 0.000 1.019 640 T CB 1.791 70.571 68.868 -0.146 0.000 1.264 640 T HN 0.646 nan 8.240 nan 0.000 0.497 641 L N 3.188 124.224 121.223 -0.312 0.000 2.582 641 L HA 0.882 5.227 4.340 0.009 0.000 0.257 641 L C -1.770 174.965 176.870 -0.225 0.000 0.974 641 L CA -1.174 53.501 54.840 -0.276 0.000 0.851 641 L CB 2.141 43.935 42.059 -0.442 0.000 1.424 641 L HN 1.025 nan 8.230 nan 0.000 0.412 642 M N 2.266 121.782 119.600 -0.140 0.000 2.569 642 M HA 0.675 5.160 4.480 0.009 0.000 0.279 642 M C -2.328 173.951 176.300 -0.034 0.000 1.253 642 M CA -0.759 54.483 55.300 -0.097 0.000 0.867 642 M CB 2.719 35.279 32.600 -0.066 0.000 1.727 642 M HN 0.607 nan 8.290 nan 0.000 0.467 643 L N 2.680 123.923 121.223 0.034 0.000 2.342 643 L HA 0.625 4.970 4.340 0.009 0.000 0.276 643 L C -0.764 176.226 176.870 0.201 0.000 0.997 643 L CA -0.519 54.422 54.840 0.168 0.000 0.838 643 L CB 1.776 44.014 42.059 0.299 0.000 1.224 643 L HN 0.748 nan 8.230 nan 0.000 0.416 644 R N 3.989 124.495 120.500 0.011 0.000 2.532 644 R HA 0.539 4.885 4.340 0.009 0.000 0.295 644 R C -2.615 173.298 176.300 -0.646 0.000 0.968 644 R CA -1.934 54.051 56.100 -0.192 0.000 0.916 644 R CB 1.215 31.453 30.300 -0.103 0.000 1.124 644 R HN 0.268 nan 8.270 nan 0.000 0.463 645 P HA 0.175 nan 4.420 nan 0.000 0.281 645 P C -0.988 176.085 177.300 -0.378 0.000 1.252 645 P CA -0.371 62.079 63.100 -1.084 0.000 0.778 645 P CB 1.007 32.245 31.700 -0.769 0.000 0.895 646 R N 2.995 123.357 120.500 -0.231 0.000 2.510 646 R HA 0.265 4.611 4.340 0.009 0.000 0.294 646 R C 0.407 176.694 176.300 -0.022 0.000 1.056 646 R CA -0.616 55.391 56.100 -0.156 0.000 0.918 646 R CB 0.262 30.526 30.300 -0.061 0.000 1.187 646 R HN 0.690 nan 8.270 nan 0.000 0.437 647 H N 0.867 119.949 119.070 0.020 0.000 3.237 647 H HA -0.215 4.347 4.556 0.009 0.000 0.231 647 H C 0.677 175.998 175.328 -0.010 0.000 1.148 647 H CA 1.220 57.276 56.048 0.013 0.000 1.155 647 H CB -1.211 28.549 29.762 -0.003 0.000 1.210 647 H HN 0.542 nan 8.280 nan 0.000 0.317 648 F N 0.542 120.398 119.950 -0.156 0.000 2.179 648 F HA 0.158 4.690 4.527 0.009 0.000 0.292 648 F C 1.004 176.529 175.800 -0.458 0.000 1.089 648 F CA 0.711 58.503 58.000 -0.347 0.000 1.295 648 F CB 0.218 38.871 39.000 -0.578 0.000 1.041 648 F HN -0.063 nan 8.300 nan 0.000 0.487 649 F N -0.313 119.700 119.950 0.106 0.000 2.457 649 F HA 0.259 4.791 4.527 0.009 0.000 0.330 649 F C 1.631 177.400 175.800 -0.050 0.000 1.069 649 F CA -0.268 57.735 58.000 0.004 0.000 1.009 649 F CB 0.600 39.613 39.000 0.022 0.000 1.276 649 F HN -0.232 nan 8.300 nan 0.000 0.492 650 T N -2.975 111.658 114.554 0.133 0.000 3.086 650 T HA 0.280 4.635 4.350 0.009 0.000 0.250 650 T C -0.256 174.529 174.700 0.141 0.000 1.074 650 T CA 0.163 62.254 62.100 -0.015 0.000 0.988 650 T CB -0.697 67.967 68.868 -0.341 0.000 0.988 650 T HN 0.732 nan 8.240 nan 0.000 0.530 651 E N -0.196 120.085 120.200 0.135 0.000 2.398 651 E HA 0.200 4.556 4.350 0.009 0.000 0.280 651 E C -1.392 175.199 176.600 -0.015 0.000 1.122 651 E CA -1.196 55.247 56.400 0.072 0.000 0.873 651 E CB -0.245 29.495 29.700 0.067 0.000 1.294 651 E HN -0.128 nan 8.360 nan 0.000 0.435 652 N N 2.475 121.130 118.700 -0.076 0.000 2.160 652 N HA -0.060 4.686 4.740 0.009 0.000 0.283 652 N C -1.196 174.206 175.510 -0.181 0.000 1.363 652 N CA -0.556 52.407 53.050 -0.145 0.000 0.848 652 N CB 0.608 38.956 38.487 -0.232 0.000 1.127 652 N HN 0.438 nan 8.380 nan 0.000 0.493 653 P HA -0.005 nan 4.420 nan 0.000 0.230 653 P C 0.753 177.957 177.300 -0.160 0.000 1.158 653 P CA 0.751 63.583 63.100 -0.447 0.000 0.769 653 P CB 0.093 31.081 31.700 -1.187 0.000 0.807 654 G N -0.323 108.462 108.800 -0.026 0.000 3.337 654 G HA2 0.105 4.071 3.960 0.009 0.000 0.246 654 G HA3 0.105 4.071 3.960 0.009 0.000 0.246 654 G C 1.262 176.314 174.900 0.254 0.000 1.131 654 G CA -0.196 44.988 45.100 0.141 0.000 0.773 654 G HN 0.173 nan 8.290 nan 0.000 0.544 655 L N 0.952 122.234 121.223 0.098 0.000 2.275 655 L HA 0.003 4.348 4.340 0.009 0.000 0.215 655 L C 1.870 178.812 176.870 0.119 0.000 1.119 655 L CA 0.977 55.865 54.840 0.080 0.000 0.790 655 L CB -0.053 41.965 42.059 -0.067 0.000 0.919 655 L HN 0.273 nan 8.230 nan 0.000 0.443 656 D N -0.074 120.392 120.400 0.110 0.000 2.319 656 D HA 0.038 4.684 4.640 0.009 0.000 0.230 656 D C 0.585 176.928 176.300 0.071 0.000 1.094 656 D CA 0.015 54.072 54.000 0.094 0.000 0.856 656 D CB -0.132 40.752 40.800 0.141 0.000 0.915 656 D HN 0.228 nan 8.370 nan 0.000 0.517 657 I N 1.521 122.146 120.570 0.091 0.000 2.395 657 I HA 0.014 4.190 4.170 0.009 0.000 0.289 657 I C 0.636 176.784 176.117 0.051 0.000 1.023 657 I CA -0.746 60.581 61.300 0.046 0.000 1.350 657 I CB 1.035 39.052 38.000 0.028 0.000 1.409 657 I HN -0.254 nan 8.210 nan 0.000 0.507 658 Q N 6.838 126.650 119.800 0.021 0.000 2.262 658 Q HA 0.087 4.433 4.340 0.009 0.000 0.298 658 Q C -2.145 173.866 176.000 0.019 0.000 1.083 658 Q CA -1.091 54.724 55.803 0.020 0.000 0.962 658 Q CB -0.079 28.663 28.738 0.007 0.000 1.104 658 Q HN 0.311 nan 8.270 nan 0.000 0.376 659 P HA -0.041 nan 4.420 nan 0.000 0.269 659 P C 0.530 177.846 177.300 0.028 0.000 1.215 659 P CA 0.090 63.212 63.100 0.038 0.000 0.780 659 P CB 0.638 32.372 31.700 0.056 0.000 0.898 660 S N 0.661 116.385 115.700 0.040 0.000 2.501 660 S HA 0.046 4.522 4.470 0.009 0.000 0.220 660 S C 0.012 174.703 174.600 0.152 0.000 0.997 660 S CA 0.424 58.663 58.200 0.065 0.000 0.919 660 S CB -0.469 62.757 63.200 0.043 0.000 0.778 660 S HN 0.534 nan 8.310 nan 0.000 0.523 661 Y N 0.124 120.429 120.300 0.007 0.000 2.480 661 Y HA 0.569 5.124 4.550 0.009 0.000 0.329 661 Y C -1.480 174.437 175.900 0.029 0.000 1.127 661 Y CA -0.743 57.366 58.100 0.015 0.000 1.037 661 Y CB 1.276 39.743 38.460 0.011 0.000 1.320 661 Y HN 0.248 nan 8.280 nan 0.000 0.446 662 A N 5.934 128.321 122.820 -0.722 0.000 2.491 662 A HA 0.724 5.049 4.320 0.009 0.000 0.293 662 A C -2.053 175.217 177.584 -0.524 0.000 1.047 662 A CA -0.425 51.357 52.037 -0.426 0.000 0.735 662 A CB 1.271 20.174 19.000 -0.162 0.000 1.281 662 A HN 0.723 nan 8.150 nan 0.000 0.398 663 M N 2.164 121.576 119.600 -0.314 0.000 2.213 663 M HA 0.494 4.980 4.480 0.009 0.000 0.286 663 M C -0.195 176.072 176.300 -0.055 0.000 1.008 663 M CA 0.271 55.466 55.300 -0.176 0.000 0.937 663 M CB 2.040 34.588 32.600 -0.087 0.000 1.600 663 M HN 0.680 nan 8.290 nan 0.000 0.450 664 T N 2.363 116.887 114.554 -0.049 0.000 2.868 664 T HA 0.200 4.555 4.350 0.009 0.000 0.292 664 T C 1.111 175.803 174.700 -0.013 0.000 1.028 664 T CA 0.028 62.114 62.100 -0.023 0.000 1.059 664 T CB 1.020 69.872 68.868 -0.027 0.000 0.991 664 T HN 0.836 nan 8.240 nan 0.000 0.531 665 T N 2.003 116.550 114.554 -0.012 0.000 2.684 665 T HA -0.143 4.213 4.350 0.009 0.000 0.267 665 T C 2.345 177.035 174.700 -0.018 0.000 1.036 665 T CA 1.913 64.002 62.100 -0.017 0.000 1.148 665 T CB -0.485 68.367 68.868 -0.026 0.000 0.863 665 T HN 0.784 nan 8.240 nan 0.000 0.436 666 S N 1.331 117.020 115.700 -0.018 0.000 2.399 666 S HA -0.117 4.358 4.470 0.009 0.000 0.231 666 S C 1.862 176.453 174.600 -0.015 0.000 1.022 666 S CA 1.215 59.404 58.200 -0.017 0.000 0.983 666 S CB -0.405 62.785 63.200 -0.017 0.000 0.803 666 S HN 0.577 nan 8.310 nan 0.000 0.480 667 E N 1.589 121.779 120.200 -0.017 0.000 2.072 667 E HA 0.047 4.402 4.350 0.009 0.000 0.191 667 E C 2.471 179.067 176.600 -0.007 0.000 0.985 667 E CA 0.928 57.318 56.400 -0.016 0.000 0.801 667 E CB -0.428 29.255 29.700 -0.029 0.000 0.750 667 E HN 0.694 nan 8.360 nan 0.000 0.452 668 A N 1.660 124.478 122.820 -0.002 0.000 1.940 668 A HA -0.240 4.086 4.320 0.009 0.000 0.219 668 A C 1.918 179.504 177.584 0.003 0.000 1.176 668 A CA 1.456 53.499 52.037 0.010 0.000 0.631 668 A CB -0.283 18.726 19.000 0.014 0.000 0.814 668 A HN 0.047 nan 8.150 nan 0.000 0.446 669 K N -0.570 119.826 120.400 -0.006 0.000 2.001 669 K HA -0.181 4.145 4.320 0.009 0.000 0.208 669 K C 2.343 178.940 176.600 -0.005 0.000 1.048 669 K CA 1.606 57.888 56.287 -0.009 0.000 0.932 669 K CB -0.279 32.212 32.500 -0.014 0.000 0.715 669 K HN 0.660 nan 8.250 nan 0.000 0.437 670 R N 1.163 121.660 120.500 -0.005 0.000 2.148 670 R HA -0.011 4.334 4.340 0.009 0.000 0.227 670 R C 1.865 178.165 176.300 0.000 0.000 1.103 670 R CA 1.274 57.371 56.100 -0.004 0.000 0.983 670 R CB -0.284 30.013 30.300 -0.006 0.000 0.874 670 R HN 0.078 nan 8.270 nan 0.000 0.451 671 A N 0.953 123.775 122.820 0.004 0.000 2.248 671 A HA 0.231 4.556 4.320 0.009 0.000 0.210 671 A C 0.310 177.901 177.584 0.011 0.000 1.174 671 A CA 0.765 52.808 52.037 0.010 0.000 0.750 671 A CB -0.159 18.853 19.000 0.020 0.000 0.780 671 A HN 0.267 nan 8.150 nan 0.000 0.478 672 V N 0.000 119.918 119.914 0.006 0.000 2.409 672 V HA 0.000 4.125 4.120 0.009 0.000 0.244 672 V CA 0.000 62.303 62.300 0.004 0.000 1.235 672 V CB 0.000 31.827 31.823 0.007 0.000 1.184 672 V HN 0.000 nan 8.190 nan 0.000 0.556