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 1m2v_1_B DATA FIRST_RESID 61 DATA SEQUENCE FLTPAQEQLH QQIXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXRPMNQLYP IDLLTELPPP ITDLTLPPPP DATA SEQUENCE LVIPPERMLV PSELSNASPD YIRSTLNAVP KNSSLLKKSK LPFGLVIRPY DATA SEQUENCE QHLYDDIDPP PLNEDGLIVR CRRCRSYMNP FVTFIEQGRR WRCNFCRLAN DATA SEQUENCE DVPMQMDQSD PNDPKSRYDR NEIKCAVMEY MAPKEYTLRQ PPPATYCFLI DATA SEQUENCE DVSQSSIKSG LLATTINTLL QNLDSIPNHD ERTRISILCV DNAIHYFKIP DATA SEQUENCE LDXXXXXXXX XQINMMDIAD LEEPFLPRPN SMVVSLKACR QNIETLLTKI DATA SEQUENCE PQIFQSNLIT NFALGPALKS AYHLIGGVGG KIIVVSGTLP NLGIGKLQRR DATA SEQUENCE NEXXXXNTSK ETAQLLSCQD SFYKNFTIDC SKVQITVDLF LASEDYMDVA DATA SEQUENCE SLSNLSRFTA GQTHFYPGFS GKNPNDIVKF STEFAKHISM DFCMETVMRA DATA SEQUENCE RGSTGLRMSR FYGHFFNRSS DLCAFSTMPR DQSYLFEVNV DESIMADYCY DATA SEQUENCE VQVAVLLSLN NSQRRIRIIT LAMPTTESLA EVYASADQLA IASFYNSKAV DATA SEQUENCE EKALNSSLDD ARVLINKSVQ DILATYKKEI VVSNTAGGAP LRLCANLRMF DATA SEQUENCE PLLMHSLTKH MAFRSGIVPS DHRASALNNL ESLPLKYLIK NIYPDVYSLH DATA SEQUENCE DMADEAGLPX XXXXXXXXGT IVLPQPINAT SSLFERYGLY LIDNGNELFL DATA SEQUENCE WMGGDAVPAL VFXXXXXXXX XXXXXXXXXX XXXXXXXFNQ RVRNIINQLR DATA SEQUENCE NHDDVITYQS LYIVRXXXXX XXXXXXXARE VATLRLWASS TLVEDKILNN DATA SEQUENCE ESYREFLQIM KARISK 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 61 F HA 0.000 nan 4.527 nan 0.000 0.279 61 F C 0.000 175.790 175.800 -0.016 0.000 0.967 61 F CA 0.000 57.998 58.000 -0.004 0.000 1.383 61 F CB 0.000 38.998 39.000 -0.003 0.000 1.145 62 L N 5.399 126.278 121.223 -0.573 0.000 2.333 62 L HA 0.569 4.909 4.340 -0.000 0.000 0.280 62 L C 0.372 176.855 176.870 -0.644 0.000 1.004 62 L CA -0.918 53.618 54.840 -0.507 0.000 0.820 62 L CB 2.274 44.146 42.059 -0.313 0.000 1.247 62 L HN 0.714 nan 8.230 nan 0.000 0.416 63 T N -0.739 113.507 114.554 -0.514 0.000 2.828 63 T HA 0.212 4.562 4.350 -0.000 0.000 0.290 63 T C -1.862 172.694 174.700 -0.241 0.000 1.019 63 T CA -1.470 60.414 62.100 -0.361 0.000 1.031 63 T CB 1.097 69.852 68.868 -0.189 0.000 1.001 63 T HN 0.324 nan 8.240 nan 0.000 0.531 64 P HA -0.094 nan 4.420 nan 0.000 0.217 64 P C 1.500 178.736 177.300 -0.107 0.000 1.148 64 P CA 1.541 64.572 63.100 -0.117 0.000 0.834 64 P CB -0.252 31.403 31.700 -0.075 0.000 0.783 65 A N -0.574 122.184 122.820 -0.104 0.000 1.929 65 A HA -0.202 4.118 4.320 -0.000 0.000 0.216 65 A C 2.139 179.650 177.584 -0.121 0.000 1.176 65 A CA 1.259 53.244 52.037 -0.086 0.000 0.628 65 A CB -1.057 17.906 19.000 -0.063 0.000 0.816 65 A HN 0.205 nan 8.150 nan 0.000 0.444 66 Q N -0.513 119.174 119.800 -0.189 0.000 2.297 66 Q HA -0.130 4.210 4.340 -0.000 0.000 0.204 66 Q C 1.721 177.486 176.000 -0.391 0.000 0.962 66 Q CA 1.273 56.885 55.803 -0.320 0.000 0.879 66 Q CB -0.049 28.456 28.738 -0.387 0.000 0.947 66 Q HN 0.769 nan 8.270 nan 0.000 0.462 67 E N 0.844 120.900 120.200 -0.241 0.000 2.033 67 E HA -0.157 4.193 4.350 -0.000 0.000 0.189 67 E C 2.026 178.580 176.600 -0.076 0.000 0.979 67 E CA 0.731 57.037 56.400 -0.157 0.000 0.802 67 E CB 0.091 29.718 29.700 -0.121 0.000 0.763 67 E HN 0.305 nan 8.360 nan 0.000 0.449 68 Q N 0.412 120.173 119.800 -0.065 0.000 2.096 68 Q HA -0.204 4.136 4.340 -0.000 0.000 0.204 68 Q C 2.301 178.296 176.000 -0.008 0.000 0.982 68 Q CA 1.020 56.805 55.803 -0.030 0.000 0.850 68 Q CB -0.142 28.578 28.738 -0.030 0.000 0.901 68 Q HN 0.174 nan 8.270 nan 0.000 0.422 69 L N 0.150 121.362 121.223 -0.019 0.000 1.955 69 L HA -0.226 4.114 4.340 -0.000 0.000 0.213 69 L C 2.035 178.978 176.870 0.121 0.000 1.072 69 L CA 2.003 56.862 54.840 0.032 0.000 0.755 69 L CB -0.692 41.378 42.059 0.019 0.000 0.888 69 L HN 0.264 nan 8.230 nan 0.000 0.432 70 H N -1.391 117.667 119.070 -0.021 0.000 2.426 70 H HA -0.232 4.324 4.556 -0.000 0.000 0.298 70 H C 2.134 177.453 175.328 -0.016 0.000 1.107 70 H CA 1.316 57.353 56.048 -0.018 0.000 1.298 70 H CB 0.171 29.920 29.762 -0.021 0.000 1.377 70 H HN 0.588 nan 8.280 nan 0.000 0.519 71 Q N 1.123 120.989 119.800 0.110 0.000 2.020 71 Q HA -0.176 4.164 4.340 -0.000 0.000 0.198 71 Q C 2.126 178.146 176.000 0.034 0.000 0.974 71 Q CA 1.158 56.992 55.803 0.052 0.000 0.829 71 Q CB 0.119 28.873 28.738 0.027 0.000 0.894 71 Q HN 0.537 nan 8.270 nan 0.000 0.433 72 Q N 0.415 120.234 119.800 0.031 0.000 2.152 72 Q HA -0.119 4.221 4.340 -0.000 0.000 0.206 72 Q C 0.938 176.950 176.000 0.019 0.000 0.985 72 Q CA 0.936 56.751 55.803 0.020 0.000 0.863 72 Q CB -0.190 28.558 28.738 0.018 0.000 0.904 72 Q HN 0.442 nan 8.270 nan 0.000 0.422 134 P HA 0.110 nan 4.420 nan 0.000 0.277 134 P C -0.450 176.868 177.300 0.030 0.000 1.617 134 P CA -0.060 63.059 63.100 0.032 0.000 0.829 134 P CB 0.034 31.757 31.700 0.038 0.000 1.774 135 M N 0.923 120.533 119.600 0.016 0.000 2.290 135 M HA -0.035 4.445 4.480 -0.000 0.000 0.356 135 M C 0.694 177.013 176.300 0.031 0.000 1.448 135 M CA 0.322 55.627 55.300 0.009 0.000 0.993 135 M CB -0.691 31.900 32.600 -0.014 0.000 1.934 135 M HN 0.099 nan 8.290 nan 0.000 0.461 136 N N 3.353 122.075 118.700 0.037 0.000 2.294 136 N HA -0.060 4.680 4.740 -0.000 0.000 0.248 136 N C 0.089 175.663 175.510 0.106 0.000 1.242 136 N CA 0.462 53.556 53.050 0.073 0.000 0.848 136 N CB 0.561 39.078 38.487 0.051 0.000 1.084 136 N HN 0.517 nan 8.380 nan 0.000 0.457 137 Q N 0.708 120.629 119.800 0.202 0.000 2.204 137 Q HA 0.422 4.762 4.340 -0.000 0.000 0.254 137 Q C -0.147 176.025 176.000 0.287 0.000 0.981 137 Q CA -0.795 55.114 55.803 0.176 0.000 0.897 137 Q CB 1.732 30.508 28.738 0.063 0.000 1.273 137 Q HN 0.391 nan 8.270 nan 0.000 0.464 138 L N 2.563 123.869 121.223 0.138 0.000 2.278 138 L HA 0.241 4.581 4.340 -0.000 0.000 0.287 138 L C -1.279 175.676 176.870 0.141 0.000 1.072 138 L CA -0.260 54.698 54.840 0.198 0.000 0.819 138 L CB 0.135 42.263 42.059 0.115 0.000 1.176 138 L HN 0.586 nan 8.230 nan 0.000 0.435 139 Y N 5.321 125.661 120.300 0.067 0.000 2.417 139 Y HA 0.321 4.871 4.550 -0.000 0.000 0.336 139 Y C -1.765 174.172 175.900 0.061 0.000 0.961 139 Y CA -3.258 54.872 58.100 0.050 0.000 1.215 139 Y CB 0.537 39.016 38.460 0.032 0.000 1.120 139 Y HN 0.432 nan 8.280 nan 0.000 0.499 140 P HA 0.261 nan 4.420 nan 0.000 0.269 140 P C -0.401 176.949 177.300 0.083 0.000 1.209 140 P CA 0.152 63.328 63.100 0.127 0.000 0.776 140 P CB 1.653 33.410 31.700 0.097 0.000 0.876 141 I N -2.094 118.499 120.570 0.037 0.000 3.102 141 I HA 0.598 4.768 4.170 -0.000 0.000 0.310 141 I C -1.638 174.471 176.117 -0.014 0.000 1.246 141 I CA -1.149 60.159 61.300 0.013 0.000 0.979 141 I CB 2.753 40.755 38.000 0.003 0.000 1.267 141 I HN 0.035 nan 8.210 nan 0.000 0.451 142 D N 3.388 123.781 120.400 -0.012 0.000 2.462 142 D HA 0.421 5.061 4.640 -0.000 0.000 0.245 142 D C 0.609 176.891 176.300 -0.029 0.000 1.122 142 D CA -0.480 53.506 54.000 -0.024 0.000 0.864 142 D CB 1.581 42.371 40.800 -0.016 0.000 1.098 142 D HN 0.729 nan 8.370 nan 0.000 0.541 143 L N 2.919 124.116 121.223 -0.044 0.000 2.129 143 L HA -0.170 4.169 4.340 -0.000 0.000 0.212 143 L C 2.211 179.042 176.870 -0.064 0.000 1.087 143 L CA 0.951 55.768 54.840 -0.038 0.000 0.757 143 L CB -0.195 41.832 42.059 -0.053 0.000 0.896 143 L HN 0.505 nan 8.230 nan 0.000 0.434 144 L N -1.256 119.919 121.223 -0.081 0.000 2.291 144 L HA -0.133 4.207 4.340 -0.000 0.000 0.214 144 L C 2.298 179.134 176.870 -0.055 0.000 1.120 144 L CA 1.016 55.801 54.840 -0.091 0.000 0.799 144 L CB -0.468 41.539 42.059 -0.087 0.000 0.925 144 L HN 0.236 nan 8.230 nan 0.000 0.446 145 T N -1.807 112.727 114.554 -0.033 0.000 3.031 145 T HA -0.014 4.336 4.350 -0.000 0.000 0.254 145 T C 1.279 175.977 174.700 -0.004 0.000 1.060 145 T CA 0.368 62.458 62.100 -0.016 0.000 1.135 145 T CB 0.078 68.940 68.868 -0.010 0.000 0.896 145 T HN 0.174 nan 8.240 nan 0.000 0.472 146 E N 1.804 122.004 120.200 0.001 0.000 2.405 146 E HA 0.131 4.481 4.350 -0.000 0.000 0.194 146 E C 0.742 177.369 176.600 0.045 0.000 1.149 146 E CA -0.078 56.336 56.400 0.022 0.000 0.933 146 E CB -0.636 29.082 29.700 0.029 0.000 1.028 146 E HN 0.546 nan 8.360 nan 0.000 0.487 147 L N 1.055 122.296 121.223 0.029 0.000 2.236 147 L HA -0.111 4.229 4.340 -0.000 0.000 0.215 147 L C -1.376 175.540 176.870 0.076 0.000 1.175 147 L CA -0.436 54.434 54.840 0.049 0.000 0.825 147 L CB -0.939 41.130 42.059 0.016 0.000 1.129 147 L HN 0.032 nan 8.230 nan 0.000 0.612 148 P HA -0.183 nan 4.420 nan 0.000 0.014 148 P C -2.252 175.087 177.300 0.066 0.000 0.565 148 P CA -0.033 63.111 63.100 0.075 0.000 1.034 148 P CB -1.706 30.023 31.700 0.047 0.000 1.907 149 P HA -0.178 nan 4.420 nan 0.000 0.258 149 P C -1.213 176.076 177.300 -0.018 0.000 1.136 149 P CA -0.023 63.102 63.100 0.041 0.000 0.761 149 P CB -0.479 31.217 31.700 -0.006 0.000 0.724 150 P HA -0.287 nan 4.420 nan 0.000 0.221 150 P C 1.057 178.320 177.300 -0.063 0.000 1.160 150 P CA 1.607 64.687 63.100 -0.034 0.000 0.933 150 P CB -0.195 31.484 31.700 -0.035 0.000 0.793 151 I N -4.403 116.094 120.570 -0.123 0.000 3.885 151 I HA -0.316 3.854 4.170 -0.000 0.000 0.148 151 I C 1.320 177.366 176.117 -0.119 0.000 0.422 151 I CA 2.193 63.386 61.300 -0.178 0.000 1.251 151 I CB -2.646 35.278 38.000 -0.126 0.000 1.122 151 I HN 0.080 nan 8.210 nan 0.000 0.214 152 T N -0.371 114.138 114.554 -0.076 0.000 3.014 152 T HA -0.038 4.312 4.350 -0.000 0.000 0.263 152 T C 1.300 175.964 174.700 -0.060 0.000 1.078 152 T CA 1.225 63.292 62.100 -0.055 0.000 1.135 152 T CB -0.039 68.807 68.868 -0.037 0.000 0.895 152 T HN 0.265 nan 8.240 nan 0.000 0.480 153 D N 1.806 122.164 120.400 -0.069 0.000 2.172 153 D HA -0.069 4.571 4.640 -0.000 0.000 0.196 153 D C 1.850 178.109 176.300 -0.068 0.000 0.999 153 D CA 0.733 54.695 54.000 -0.065 0.000 0.856 153 D CB -0.434 40.326 40.800 -0.067 0.000 0.934 153 D HN 0.339 nan 8.370 nan 0.000 0.453 154 L N 0.199 121.367 121.223 -0.092 0.000 2.447 154 L HA -0.142 4.198 4.340 -0.000 0.000 0.225 154 L C 1.858 178.694 176.870 -0.056 0.000 1.148 154 L CA 0.899 55.688 54.840 -0.085 0.000 0.808 154 L CB -0.291 41.697 42.059 -0.117 0.000 0.928 154 L HN 0.021 nan 8.230 nan 0.000 0.448 155 T N -1.068 113.457 114.554 -0.048 0.000 3.014 155 T HA 0.216 4.566 4.350 -0.000 0.000 0.250 155 T C 0.847 175.528 174.700 -0.031 0.000 1.060 155 T CA -0.299 61.780 62.100 -0.035 0.000 1.040 155 T CB 0.176 69.029 68.868 -0.025 0.000 0.971 155 T HN 0.019 nan 8.240 nan 0.000 0.497 156 L N 3.651 124.853 121.223 -0.035 0.000 2.514 156 L HA 0.183 4.523 4.340 -0.000 0.000 0.280 156 L C -1.696 175.157 176.870 -0.029 0.000 1.223 156 L CA -1.388 53.432 54.840 -0.033 0.000 0.864 156 L CB -0.066 41.968 42.059 -0.042 0.000 1.118 156 L HN 0.065 nan 8.230 nan 0.000 0.494 157 P HA 0.286 nan 4.420 nan 0.000 0.279 157 P C -2.539 174.747 177.300 -0.022 0.000 1.252 157 P CA -1.408 61.682 63.100 -0.017 0.000 0.811 157 P CB 0.106 31.800 31.700 -0.009 0.000 1.035 158 P HA 0.219 nan 4.420 nan 0.000 0.271 158 P C -2.484 174.802 177.300 -0.022 0.000 1.233 158 P CA -1.230 61.858 63.100 -0.020 0.000 0.789 158 P CB -1.282 30.410 31.700 -0.012 0.000 0.951 159 P HA 0.115 nan 4.420 nan 0.000 0.265 159 P C -2.251 175.041 177.300 -0.013 0.000 1.187 159 P CA -0.300 62.785 63.100 -0.026 0.000 0.766 159 P CB -1.145 30.540 31.700 -0.025 0.000 0.820 160 P HA 0.079 nan 4.420 nan 0.000 0.270 160 P C -0.575 176.732 177.300 0.010 0.000 1.223 160 P CA 0.230 63.335 63.100 0.008 0.000 0.785 160 P CB 0.403 32.111 31.700 0.013 0.000 0.923 161 L N 1.916 123.152 121.223 0.021 0.000 2.270 161 L HA 0.179 4.519 4.340 -0.000 0.000 0.286 161 L C -0.248 176.646 176.870 0.040 0.000 1.059 161 L CA -0.783 54.069 54.840 0.020 0.000 0.839 161 L CB 0.612 42.686 42.059 0.026 0.000 1.221 161 L HN 0.095 nan 8.230 nan 0.000 0.431 162 V N 5.529 125.466 119.914 0.037 0.000 2.382 162 V HA 0.030 4.150 4.120 -0.000 0.000 0.250 162 V C 0.375 176.545 176.094 0.127 0.000 1.069 162 V CA 0.520 62.858 62.300 0.064 0.000 1.130 162 V CB -0.609 31.239 31.823 0.043 0.000 1.165 162 V HN 0.382 nan 8.190 nan 0.000 0.483 163 I N 6.719 127.361 120.570 0.120 0.000 2.439 163 I HA 0.449 4.619 4.170 -0.000 0.000 0.285 163 I C -2.359 173.814 176.117 0.093 0.000 1.021 163 I CA -2.800 58.578 61.300 0.130 0.000 1.091 163 I CB 1.732 39.791 38.000 0.097 0.000 1.242 163 I HN 0.344 nan 8.210 nan 0.000 0.439 164 P HA 0.246 nan 4.420 nan 0.000 0.271 164 P C -1.985 175.336 177.300 0.035 0.000 1.216 164 P CA -1.057 62.079 63.100 0.060 0.000 0.771 164 P CB 0.243 31.987 31.700 0.074 0.000 0.864 165 P HA -0.204 nan 4.420 nan 0.000 0.220 165 P C 0.890 178.199 177.300 0.015 0.000 1.144 165 P CA 1.351 64.466 63.100 0.025 0.000 0.800 165 P CB 0.004 31.714 31.700 0.017 0.000 0.772 166 E N -0.724 119.484 120.200 0.014 0.000 2.118 166 E HA -0.159 4.191 4.350 -0.000 0.000 0.195 166 E C 1.790 178.391 176.600 0.001 0.000 0.992 166 E CA 0.860 57.266 56.400 0.010 0.000 0.804 166 E CB -0.383 29.328 29.700 0.018 0.000 0.741 166 E HN 0.098 nan 8.360 nan 0.000 0.458 167 R N -0.103 120.384 120.500 -0.022 0.000 2.323 167 R HA 0.166 4.506 4.340 -0.000 0.000 0.198 167 R C 0.144 176.509 176.300 0.109 0.000 0.988 167 R CA 0.422 56.517 56.100 -0.008 0.000 1.041 167 R CB -0.134 30.048 30.300 -0.197 0.000 0.926 167 R HN 0.289 nan 8.270 nan 0.000 0.476 168 M N 0.292 119.912 119.600 0.032 0.000 2.311 168 M HA 0.246 4.726 4.480 -0.000 0.000 0.325 168 M C 1.124 177.388 176.300 -0.060 0.000 1.061 168 M CA -0.422 54.828 55.300 -0.084 0.000 0.957 168 M CB 2.340 34.884 32.600 -0.092 0.000 1.646 168 M HN -0.209 nan 8.290 nan 0.000 0.434 169 L N 1.807 122.984 121.223 -0.077 0.000 2.042 169 L HA -0.073 4.267 4.340 -0.000 0.000 0.210 169 L C 0.551 177.471 176.870 0.084 0.000 1.076 169 L CA 0.910 55.794 54.840 0.072 0.000 0.749 169 L CB -0.220 41.917 42.059 0.129 0.000 0.893 169 L HN 0.489 nan 8.230 nan 0.000 0.432 170 V N -0.215 119.708 119.914 0.015 0.000 2.467 170 V HA 0.249 4.369 4.120 -0.000 0.000 0.260 170 V C -2.334 173.741 176.094 -0.031 0.000 0.963 170 V CA -1.306 61.000 62.300 0.009 0.000 0.856 170 V CB 0.699 32.552 31.823 0.049 0.000 1.087 170 V HN 0.003 nan 8.190 nan 0.000 0.467 171 P HA 0.114 nan 4.420 nan 0.000 0.259 171 P C 0.152 177.443 177.300 -0.016 0.000 1.163 171 P CA 0.987 64.074 63.100 -0.021 0.000 0.760 171 P CB 0.430 32.126 31.700 -0.007 0.000 0.762 172 S N 1.358 117.050 115.700 -0.012 0.000 2.694 172 S HA 0.267 4.737 4.470 -0.000 0.000 0.273 172 S C 0.474 175.077 174.600 0.004 0.000 1.180 172 S CA -0.860 57.336 58.200 -0.007 0.000 0.864 172 S CB 0.950 64.139 63.200 -0.017 0.000 1.198 172 S HN 0.339 nan 8.310 nan 0.000 0.499 173 E N 0.093 120.297 120.200 0.007 0.000 2.371 173 E HA 0.177 4.527 4.350 -0.000 0.000 0.194 173 E C 1.039 177.649 176.600 0.017 0.000 1.012 173 E CA 0.464 56.875 56.400 0.019 0.000 0.860 173 E CB -0.291 29.421 29.700 0.020 0.000 0.811 173 E HN 0.465 nan 8.360 nan 0.000 0.502 174 L N 0.974 122.194 121.223 -0.004 0.000 2.592 174 L HA 0.032 4.372 4.340 -0.000 0.000 0.227 174 L C 2.182 179.028 176.870 -0.040 0.000 1.127 174 L CA 0.189 55.016 54.840 -0.022 0.000 0.884 174 L CB -0.034 42.001 42.059 -0.040 0.000 1.065 174 L HN 0.069 nan 8.230 nan 0.000 0.457 175 S N -1.411 114.265 115.700 -0.039 0.000 2.522 175 S HA -0.003 4.467 4.470 -0.000 0.000 0.227 175 S C 0.746 175.330 174.600 -0.027 0.000 0.986 175 S CA 0.072 58.207 58.200 -0.108 0.000 0.929 175 S CB -0.230 62.883 63.200 -0.144 0.000 0.769 175 S HN 0.405 nan 8.310 nan 0.000 0.529 176 N N 0.739 119.513 118.700 0.123 0.000 2.229 176 N HA 0.589 5.329 4.740 -0.000 0.000 0.298 176 N C -1.075 174.529 175.510 0.157 0.000 1.114 176 N CA -0.266 52.960 53.050 0.292 0.000 0.776 176 N CB 1.871 40.557 38.487 0.332 0.000 1.501 176 N HN 0.219 nan 8.380 nan 0.000 0.474 177 A N 1.663 124.582 122.820 0.164 0.000 2.561 177 A HA 0.203 4.523 4.320 -0.000 0.000 0.251 177 A C 0.761 178.405 177.584 0.100 0.000 1.062 177 A CA 0.275 52.371 52.037 0.098 0.000 0.761 177 A CB -0.642 18.424 19.000 0.111 0.000 0.986 177 A HN 0.617 nan 8.150 nan 0.000 0.510 178 S N 3.362 119.123 115.700 0.102 0.000 2.573 178 S HA 0.241 4.711 4.470 -0.000 0.000 0.277 178 S C -1.397 173.283 174.600 0.133 0.000 1.346 178 S CA -0.717 57.557 58.200 0.124 0.000 1.034 178 S CB 0.402 63.701 63.200 0.166 0.000 0.879 178 S HN 0.484 nan 8.310 nan 0.000 0.528 179 P HA 0.005 nan 4.420 nan 0.000 0.225 179 P C 0.449 177.778 177.300 0.048 0.000 1.148 179 P CA 0.787 63.923 63.100 0.060 0.000 0.779 179 P CB 0.030 31.750 31.700 0.033 0.000 0.780 180 D N -1.861 118.577 120.400 0.065 0.000 2.149 180 D HA -0.170 4.470 4.640 -0.000 0.000 0.198 180 D C 1.421 177.639 176.300 -0.137 0.000 0.990 180 D CA 1.474 55.453 54.000 -0.034 0.000 0.839 180 D CB -0.573 40.218 40.800 -0.015 0.000 0.948 180 D HN 0.293 nan 8.370 nan 0.000 0.460 181 Y N -0.680 119.603 120.300 -0.028 0.000 2.441 181 Y HA 0.374 4.924 4.550 -0.000 0.000 0.288 181 Y C 0.955 176.839 175.900 -0.028 0.000 1.118 181 Y CA 0.008 58.085 58.100 -0.039 0.000 1.215 181 Y CB 0.973 39.405 38.460 -0.046 0.000 1.118 181 Y HN -0.139 nan 8.280 nan 0.000 0.547 182 I N -0.106 120.554 120.570 0.149 0.000 2.752 182 I HA 0.451 4.621 4.170 -0.000 0.000 0.295 182 I C -1.449 174.708 176.117 0.067 0.000 1.219 182 I CA -0.918 60.433 61.300 0.084 0.000 1.030 182 I CB 1.836 39.890 38.000 0.090 0.000 1.259 182 I HN -0.124 nan 8.210 nan 0.000 0.423 183 R N 4.615 125.144 120.500 0.048 0.000 2.518 183 R HA 0.325 4.665 4.340 -0.000 0.000 0.296 183 R C -1.013 175.321 176.300 0.057 0.000 1.080 183 R CA -0.541 55.586 56.100 0.046 0.000 0.922 183 R CB 2.094 32.411 30.300 0.028 0.000 1.184 183 R HN 0.620 nan 8.270 nan 0.000 0.445 184 S N 0.470 116.215 115.700 0.076 0.000 2.592 184 S HA 0.048 4.518 4.470 -0.000 0.000 0.271 184 S C 1.512 176.159 174.600 0.079 0.000 1.326 184 S CA -0.296 57.978 58.200 0.124 0.000 1.024 184 S CB 1.036 64.350 63.200 0.190 0.000 0.921 184 S HN 0.670 nan 8.310 nan 0.000 0.527 185 T N 2.420 117.028 114.554 0.091 0.000 3.035 185 T HA 0.197 4.547 4.350 -0.000 0.000 0.268 185 T C 0.433 175.093 174.700 -0.067 0.000 1.109 185 T CA 0.573 62.663 62.100 -0.016 0.000 1.119 185 T CB -0.469 68.337 68.868 -0.103 0.000 0.900 185 T HN 0.461 nan 8.240 nan 0.000 0.503 186 L N 1.732 122.937 121.223 -0.030 0.000 2.372 186 L HA 0.513 4.853 4.340 -0.000 0.000 0.274 186 L C 0.033 176.835 176.870 -0.113 0.000 0.988 186 L CA -0.861 53.886 54.840 -0.156 0.000 0.833 186 L CB 1.741 43.579 42.059 -0.368 0.000 1.236 186 L HN -0.135 nan 8.230 nan 0.000 0.410 187 N N 2.170 120.811 118.700 -0.099 0.000 2.336 187 N HA 0.175 4.915 4.740 -0.000 0.000 0.189 187 N C 0.064 175.513 175.510 -0.101 0.000 1.113 187 N CA 0.149 53.156 53.050 -0.071 0.000 0.858 187 N CB 1.030 39.492 38.487 -0.041 0.000 0.970 187 N HN 0.626 nan 8.380 nan 0.000 0.471 188 A N 0.441 123.172 122.820 -0.148 0.000 2.457 188 A HA 0.466 4.786 4.320 -0.000 0.000 0.283 188 A C -0.484 176.954 177.584 -0.242 0.000 1.166 188 A CA -0.526 51.412 52.037 -0.165 0.000 0.740 188 A CB 0.863 19.790 19.000 -0.122 0.000 1.181 188 A HN -0.096 nan 8.150 nan 0.000 0.446 189 V N 3.942 123.684 119.914 -0.286 0.000 2.488 189 V HA 0.227 4.347 4.120 -0.000 0.000 0.277 189 V C -2.096 173.814 176.094 -0.307 0.000 1.046 189 V CA -1.375 60.683 62.300 -0.404 0.000 0.986 189 V CB 0.990 32.570 31.823 -0.404 0.000 0.989 189 V HN 0.721 nan 8.190 nan 0.000 0.475 190 P HA 0.006 nan 4.420 nan 0.000 0.264 190 P C 0.440 177.642 177.300 -0.163 0.000 1.183 190 P CA 0.149 63.129 63.100 -0.201 0.000 0.763 190 P CB 0.482 32.068 31.700 -0.190 0.000 0.807 191 K N 2.351 122.678 120.400 -0.122 0.000 2.525 191 K HA -0.047 4.273 4.320 -0.000 0.000 0.192 191 K C 0.054 176.617 176.600 -0.062 0.000 1.029 191 K CA 0.451 56.680 56.287 -0.097 0.000 1.029 191 K CB -0.184 32.261 32.500 -0.092 0.000 0.814 191 K HN 0.616 nan 8.250 nan 0.000 0.503 192 N N -3.269 115.397 118.700 -0.056 0.000 2.961 192 N HA -0.001 4.739 4.740 -0.000 0.000 0.245 192 N C 0.220 175.716 175.510 -0.024 0.000 1.404 192 N CA -0.368 52.665 53.050 -0.029 0.000 0.880 192 N CB 1.099 39.572 38.487 -0.024 0.000 1.461 192 N HN -0.160 nan 8.380 nan 0.000 0.510 193 S N -0.132 115.566 115.700 -0.003 0.000 2.383 193 S HA -0.187 4.282 4.470 -0.000 0.000 0.229 193 S C 1.433 176.033 174.600 0.001 0.000 1.030 193 S CA 1.458 59.663 58.200 0.007 0.000 1.002 193 S CB -0.835 62.378 63.200 0.022 0.000 0.829 193 S HN 0.512 nan 8.310 nan 0.000 0.467 194 S N 2.243 117.941 115.700 -0.003 0.000 2.353 194 S HA -0.036 4.434 4.470 -0.000 0.000 0.222 194 S C 1.784 176.378 174.600 -0.009 0.000 1.035 194 S CA 1.349 59.547 58.200 -0.003 0.000 1.025 194 S CB -0.731 62.465 63.200 -0.006 0.000 0.902 194 S HN 0.438 nan 8.310 nan 0.000 0.440 195 L N 1.685 122.895 121.223 -0.021 0.000 2.079 195 L HA -0.011 4.329 4.340 -0.000 0.000 0.210 195 L C 2.036 178.887 176.870 -0.031 0.000 1.081 195 L CA 1.429 56.252 54.840 -0.028 0.000 0.752 195 L CB -0.854 41.178 42.059 -0.045 0.000 0.896 195 L HN 0.309 nan 8.230 nan 0.000 0.433 196 L N -0.470 120.727 121.223 -0.045 0.000 2.046 196 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 196 L C 2.479 179.335 176.870 -0.024 0.000 1.077 196 L CA 1.890 56.695 54.840 -0.059 0.000 0.747 196 L CB -0.915 41.112 42.059 -0.054 0.000 0.896 196 L HN 0.205 nan 8.230 nan 0.000 0.432 197 K N 0.286 120.686 120.400 -0.000 0.000 2.057 197 K HA -0.213 4.107 4.320 -0.000 0.000 0.207 197 K C 2.266 178.882 176.600 0.028 0.000 1.049 197 K CA 1.810 58.109 56.287 0.019 0.000 0.931 197 K CB -0.325 32.189 32.500 0.023 0.000 0.714 197 K HN 0.390 nan 8.250 nan 0.000 0.440 198 K N 0.134 120.548 120.400 0.023 0.000 2.097 198 K HA -0.128 4.192 4.320 -0.000 0.000 0.206 198 K C 1.884 178.527 176.600 0.071 0.000 1.049 198 K CA 1.696 58.003 56.287 0.034 0.000 0.933 198 K CB -0.282 32.229 32.500 0.018 0.000 0.717 198 K HN 0.272 nan 8.250 nan 0.000 0.442 199 S N 0.564 116.311 115.700 0.077 0.000 2.419 199 S HA -0.141 4.329 4.470 -0.000 0.000 0.235 199 S C 0.707 175.391 174.600 0.141 0.000 1.019 199 S CA 1.229 59.523 58.200 0.157 0.000 0.982 199 S CB -0.200 63.010 63.200 0.016 0.000 0.789 199 S HN 0.299 nan 8.310 nan 0.000 0.490 200 K N -0.065 120.380 120.400 0.074 0.000 3.274 200 K HA -0.118 4.202 4.320 -0.000 0.000 0.300 200 K C -0.493 176.127 176.600 0.033 0.000 1.230 200 K CA 0.712 57.048 56.287 0.080 0.000 0.884 200 K CB -2.307 30.270 32.500 0.128 0.000 1.242 200 K HN 0.572 nan 8.250 nan 0.000 0.467 201 L N 1.707 122.885 121.223 -0.075 0.000 2.325 201 L HA 0.417 4.757 4.340 -0.000 0.000 0.278 201 L C -1.674 175.062 176.870 -0.223 0.000 1.023 201 L CA -1.922 52.800 54.840 -0.196 0.000 0.811 201 L CB 1.446 43.280 42.059 -0.375 0.000 1.249 201 L HN -0.139 nan 8.230 nan 0.000 0.431 202 P HA 0.151 nan 4.420 nan 0.000 0.282 202 P C -1.270 175.698 177.300 -0.553 0.000 1.249 202 P CA -0.330 62.334 63.100 -0.727 0.000 0.806 202 P CB 1.284 32.035 31.700 -1.580 0.000 0.984 203 F N 2.397 121.967 119.950 -0.633 0.000 2.382 203 F HA 0.670 5.197 4.527 -0.000 0.000 0.361 203 F C -0.293 175.370 175.800 -0.228 0.000 1.109 203 F CA -0.915 56.876 58.000 -0.348 0.000 1.031 203 F CB 0.951 39.841 39.000 -0.183 0.000 1.234 203 F HN 0.504 nan 8.300 nan 0.000 0.445 204 G N 5.629 114.398 108.800 -0.052 0.000 2.692 204 G HA2 0.617 4.577 3.960 -0.000 0.000 0.291 204 G HA3 0.617 4.577 3.960 -0.000 0.000 0.291 204 G C -2.272 172.661 174.900 0.055 0.000 1.423 204 G CA -0.907 44.227 45.100 0.057 0.000 0.843 204 G HN 0.537 nan 8.290 nan 0.000 0.486 205 L N 0.665 121.928 121.223 0.067 0.000 2.333 205 L HA 0.520 4.860 4.340 -0.000 0.000 0.280 205 L C -0.327 176.566 176.870 0.039 0.000 1.004 205 L CA -1.163 53.703 54.840 0.044 0.000 0.820 205 L CB 2.125 44.193 42.059 0.014 0.000 1.247 205 L HN 0.186 nan 8.230 nan 0.000 0.416 206 V N 4.961 124.895 119.914 0.034 0.000 2.353 206 V HA 0.332 4.452 4.120 -0.000 0.000 0.264 206 V C 0.351 176.434 176.094 -0.018 0.000 1.049 206 V CA -0.009 62.302 62.300 0.017 0.000 0.896 206 V CB 0.851 32.686 31.823 0.020 0.000 1.025 206 V HN 0.499 nan 8.190 nan 0.000 0.475 207 I N 5.160 125.701 120.570 -0.049 0.000 2.437 207 I HA 0.621 4.791 4.170 -0.000 0.000 0.298 207 I C 0.317 176.436 176.117 0.004 0.000 0.984 207 I CA -0.656 60.618 61.300 -0.044 0.000 1.214 207 I CB 1.580 39.478 38.000 -0.169 0.000 1.365 207 I HN 0.499 nan 8.210 nan 0.000 0.469 208 R N 6.323 126.826 120.500 0.005 0.000 2.928 208 R HA 0.302 4.642 4.340 -0.000 0.000 0.248 208 R C -2.402 173.872 176.300 -0.044 0.000 1.796 208 R CA -1.030 55.048 56.100 -0.038 0.000 1.477 208 R CB 0.871 31.093 30.300 -0.130 0.000 1.484 208 R HN 0.231 nan 8.270 nan 0.000 0.623 209 P HA -0.182 nan 4.420 nan 0.000 0.216 209 P C -0.626 176.515 177.300 -0.265 0.000 1.154 209 P CA 1.490 64.557 63.100 -0.054 0.000 0.865 209 P CB 0.097 31.780 31.700 -0.027 0.000 0.789 210 Y N -1.981 118.290 120.300 -0.048 0.000 2.429 210 Y HA 0.286 4.836 4.550 -0.000 0.000 0.342 210 Y C 1.527 177.275 175.900 -0.253 0.000 1.004 210 Y CA -0.661 57.379 58.100 -0.099 0.000 1.075 210 Y CB 1.455 39.898 38.460 -0.028 0.000 1.214 210 Y HN -0.263 nan 8.280 nan 0.000 0.455 211 Q N 0.907 120.567 119.800 -0.234 0.000 2.391 211 Q HA 0.131 4.471 4.340 -0.000 0.000 0.211 211 Q C -0.203 175.407 176.000 -0.650 0.000 0.908 211 Q CA 0.813 56.281 55.803 -0.558 0.000 0.920 211 Q CB 0.617 28.849 28.738 -0.844 0.000 1.056 211 Q HN 0.646 nan 8.270 nan 0.000 0.523 212 H N -1.050 118.079 119.070 0.099 0.000 2.946 212 H HA 0.194 4.750 4.556 -0.000 0.000 0.365 212 H C 0.691 176.037 175.328 0.031 0.000 1.197 212 H CA -0.834 55.275 56.048 0.102 0.000 1.131 212 H CB 1.295 31.148 29.762 0.152 0.000 1.849 212 H HN -0.118 nan 8.280 nan 0.000 0.555 213 L N 0.334 121.603 121.223 0.077 0.000 2.141 213 L HA -0.070 4.270 4.340 -0.000 0.000 0.209 213 L C 0.030 176.575 176.870 -0.542 0.000 1.094 213 L CA 1.457 56.105 54.840 -0.320 0.000 0.763 213 L CB -0.598 41.114 42.059 -0.578 0.000 0.908 213 L HN 0.443 nan 8.230 nan 0.000 0.437 214 Y N -1.207 119.168 120.300 0.125 0.000 2.341 214 Y HA 0.281 4.831 4.550 -0.000 0.000 0.338 214 Y C 0.923 176.894 175.900 0.117 0.000 0.965 214 Y CA -1.506 56.650 58.100 0.093 0.000 1.108 214 Y CB 0.487 38.987 38.460 0.068 0.000 1.180 214 Y HN -0.076 nan 8.280 nan 0.000 0.458 215 D N 1.590 122.104 120.400 0.190 0.000 2.368 215 D HA -0.099 4.541 4.640 -0.000 0.000 0.250 215 D C 0.494 176.875 176.300 0.136 0.000 1.142 215 D CA 0.799 54.898 54.000 0.163 0.000 0.925 215 D CB 0.054 40.906 40.800 0.087 0.000 0.896 215 D HN 0.662 nan 8.370 nan 0.000 0.525 216 D N 0.088 120.577 120.400 0.149 0.000 2.197 216 D HA 0.044 4.684 4.640 -0.000 0.000 0.212 216 D C 1.130 177.477 176.300 0.078 0.000 0.963 216 D CA 0.127 54.179 54.000 0.088 0.000 0.864 216 D CB 0.657 41.497 40.800 0.066 0.000 1.009 216 D HN 0.262 nan 8.370 nan 0.000 0.479 217 I N 2.542 123.158 120.570 0.076 0.000 2.683 217 I HA -0.087 4.083 4.170 -0.000 0.000 0.286 217 I C 0.380 176.593 176.117 0.160 0.000 1.175 217 I CA 0.077 61.359 61.300 -0.029 0.000 1.429 217 I CB 0.205 37.981 38.000 -0.372 0.000 1.371 217 I HN -0.034 nan 8.210 nan 0.000 0.569 218 D N 4.123 124.604 120.400 0.134 0.000 2.706 218 D HA -0.146 4.494 4.640 -0.000 0.000 0.230 218 D C -2.009 174.422 176.300 0.218 0.000 1.184 218 D CA 0.363 54.496 54.000 0.221 0.000 0.628 218 D CB -0.922 40.102 40.800 0.372 0.000 1.019 218 D HN 0.365 nan 8.370 nan 0.000 0.415 219 P HA 0.195 nan 4.420 nan 0.000 0.271 219 P C -2.182 175.165 177.300 0.079 0.000 1.218 219 P CA -0.777 62.398 63.100 0.126 0.000 0.780 219 P CB 0.439 32.189 31.700 0.083 0.000 0.901 220 P HA 0.258 nan 4.420 nan 0.000 0.274 220 P C -2.409 174.851 177.300 -0.068 0.000 1.256 220 P CA -1.283 61.794 63.100 -0.038 0.000 0.795 220 P CB -0.902 30.722 31.700 -0.127 0.000 1.038 221 P HA 0.072 nan 4.420 nan 0.000 0.265 221 P C -0.999 176.215 177.300 -0.143 0.000 1.193 221 P CA 0.272 63.304 63.100 -0.113 0.000 0.765 221 P CB 0.181 31.799 31.700 -0.137 0.000 0.823 222 L N 4.172 125.325 121.223 -0.116 0.000 2.325 222 L HA 0.453 4.793 4.340 -0.000 0.000 0.281 222 L C -0.504 176.291 176.870 -0.127 0.000 1.004 222 L CA -0.607 54.161 54.840 -0.120 0.000 0.823 222 L CB 0.832 42.852 42.059 -0.065 0.000 1.236 222 L HN 0.154 nan 8.230 nan 0.000 0.415 223 N N 2.870 121.464 118.700 -0.178 0.000 2.529 223 N HA 0.321 5.061 4.740 -0.000 0.000 0.278 223 N C 0.154 175.642 175.510 -0.035 0.000 1.146 223 N CA 0.011 52.981 53.050 -0.134 0.000 0.980 223 N CB 1.150 39.505 38.487 -0.220 0.000 1.124 223 N HN 0.661 nan 8.380 nan 0.000 0.458 224 E N -0.116 120.075 120.200 -0.015 0.000 2.571 224 E HA -0.026 4.323 4.350 -0.000 0.000 0.222 224 E C 0.248 176.859 176.600 0.018 0.000 0.904 224 E CA -0.026 56.377 56.400 0.005 0.000 1.157 224 E CB 0.430 30.127 29.700 -0.005 0.000 1.158 224 E HN 0.602 nan 8.360 nan 0.000 0.540 225 D N 0.844 121.254 120.400 0.017 0.000 2.170 225 D HA -0.201 4.439 4.640 -0.000 0.000 0.193 225 D C 1.577 177.901 176.300 0.039 0.000 1.004 225 D CA 2.481 56.495 54.000 0.023 0.000 0.860 225 D CB -0.148 40.665 40.800 0.021 0.000 0.931 225 D HN 0.302 nan 8.370 nan 0.000 0.448 226 G N -1.103 107.734 108.800 0.062 0.000 2.175 226 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.244 226 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.244 226 G C 0.025 174.957 174.900 0.054 0.000 0.982 226 G CA 0.319 45.452 45.100 0.055 0.000 0.641 226 G HN 0.545 nan 8.290 nan 0.000 0.527 227 L N 2.084 123.350 121.223 0.071 0.000 2.264 227 L HA 0.743 5.083 4.340 -0.000 0.000 0.289 227 L C -0.109 176.794 176.870 0.054 0.000 1.044 227 L CA -0.926 53.948 54.840 0.056 0.000 0.807 227 L CB 0.721 42.809 42.059 0.048 0.000 1.192 227 L HN 0.114 nan 8.230 nan 0.000 0.425 228 I N 7.025 127.572 120.570 -0.039 0.000 2.437 228 I HA 0.257 4.427 4.170 -0.000 0.000 0.279 228 I C -0.541 175.539 176.117 -0.062 0.000 1.028 228 I CA -0.575 60.611 61.300 -0.191 0.000 1.142 228 I CB 1.490 39.300 38.000 -0.317 0.000 1.266 228 I HN 0.245 nan 8.210 nan 0.000 0.461 229 V N 7.582 127.476 119.914 -0.033 0.000 2.461 229 V HA 0.457 4.577 4.120 -0.000 0.000 0.275 229 V C 0.497 176.586 176.094 -0.009 0.000 1.047 229 V CA -0.455 61.830 62.300 -0.025 0.000 0.955 229 V CB 1.119 32.861 31.823 -0.135 0.000 0.988 229 V HN 0.659 nan 8.190 nan 0.000 0.471 230 R N 2.179 122.740 120.500 0.103 0.000 2.808 230 R HA 0.470 4.810 4.340 -0.000 0.000 0.272 230 R C -0.942 175.557 176.300 0.331 0.000 0.995 230 R CA -0.671 55.497 56.100 0.114 0.000 0.917 230 R CB 2.003 32.191 30.300 -0.186 0.000 1.217 230 R HN 0.729 nan 8.270 nan 0.000 0.471 231 C N 1.466 120.936 119.300 0.285 0.000 2.662 231 C HA 0.125 4.584 4.460 -0.000 0.000 0.420 231 C C 1.808 176.787 174.990 -0.018 0.000 1.314 231 C CA -0.030 59.026 59.018 0.062 0.000 1.963 231 C CB -0.095 27.645 27.740 -0.001 0.000 2.686 231 C HN 0.804 nan 8.230 nan 0.000 0.609 232 R N 1.907 122.367 120.500 -0.068 0.000 2.148 232 R HA -0.031 4.309 4.340 -0.000 0.000 0.223 232 R C 2.273 178.539 176.300 -0.057 0.000 1.088 232 R CA 1.208 57.276 56.100 -0.054 0.000 0.985 232 R CB -0.010 30.253 30.300 -0.061 0.000 0.880 232 R HN 0.763 nan 8.270 nan 0.000 0.451 233 R N 0.406 120.866 120.500 -0.067 0.000 2.038 233 R HA -0.048 4.292 4.340 -0.000 0.000 0.214 233 R C 2.335 178.613 176.300 -0.037 0.000 1.249 233 R CA 1.306 57.377 56.100 -0.048 0.000 1.025 233 R CB -0.381 29.890 30.300 -0.047 0.000 0.911 233 R HN 0.369 nan 8.270 nan 0.000 0.456 234 C N 0.947 120.230 119.300 -0.029 0.000 2.522 234 C HA 0.378 4.838 4.460 -0.000 0.000 0.271 234 C C 0.545 175.499 174.990 -0.060 0.000 1.425 234 C CA -0.425 58.581 59.018 -0.020 0.000 1.751 234 C CB -0.371 27.383 27.740 0.024 0.000 1.775 234 C HN 0.608 nan 8.230 nan 0.000 0.557 235 R N 0.477 120.930 120.500 -0.077 0.000 3.953 235 R HA -0.138 4.202 4.340 -0.000 0.000 0.340 235 R C 0.349 176.507 176.300 -0.238 0.000 1.195 235 R CA 1.041 57.057 56.100 -0.140 0.000 0.929 235 R CB -2.891 27.331 30.300 -0.130 0.000 1.402 235 R HN 0.694 nan 8.270 nan 0.000 0.540 236 S N -0.061 115.539 115.700 -0.166 0.000 2.596 236 S HA 0.373 4.843 4.470 -0.000 0.000 0.260 236 S C 0.226 174.758 174.600 -0.112 0.000 1.336 236 S CA -0.146 57.928 58.200 -0.211 0.000 0.993 236 S CB 0.352 63.326 63.200 -0.377 0.000 0.923 236 S HN 0.166 nan 8.310 nan 0.000 0.567 237 Y N 0.525 120.800 120.300 -0.042 0.000 2.419 237 Y HA 0.461 5.011 4.550 -0.000 0.000 0.328 237 Y C 0.509 176.435 175.900 0.043 0.000 1.162 237 Y CA -1.181 56.926 58.100 0.011 0.000 1.174 237 Y CB 0.549 38.998 38.460 -0.019 0.000 1.228 237 Y HN 0.529 nan 8.280 nan 0.000 0.473 238 M N 3.331 122.966 119.600 0.059 0.000 2.246 238 M HA 0.082 4.562 4.480 -0.000 0.000 0.327 238 M C -0.818 175.477 176.300 -0.008 0.000 1.090 238 M CA 0.373 55.544 55.300 -0.217 0.000 1.087 238 M CB -0.407 31.978 32.600 -0.357 0.000 1.587 238 M HN 0.868 nan 8.290 nan 0.000 0.444 239 N N 2.186 120.851 118.700 -0.059 0.000 2.961 239 N HA 0.512 5.252 4.740 -0.000 0.000 0.245 239 N C -2.904 172.506 175.510 -0.166 0.000 1.404 239 N CA -1.332 51.704 53.050 -0.023 0.000 0.880 239 N CB 0.701 39.292 38.487 0.173 0.000 1.461 239 N HN 0.248 nan 8.380 nan 0.000 0.510 240 P HA -0.100 nan 4.420 nan 0.000 0.218 240 P C -0.254 176.640 177.300 -0.678 0.000 1.146 240 P CA 1.370 64.127 63.100 -0.573 0.000 0.820 240 P CB -0.095 31.097 31.700 -0.846 0.000 0.778 241 F N -2.542 117.353 119.950 -0.093 0.000 2.639 241 F HA 0.132 4.659 4.527 -0.000 0.000 0.300 241 F C 1.014 176.676 175.800 -0.229 0.000 1.109 241 F CA -0.477 57.429 58.000 -0.156 0.000 1.335 241 F CB -0.362 38.533 39.000 -0.174 0.000 1.014 241 F HN -0.330 nan 8.300 nan 0.000 0.537 242 V N 0.108 119.953 119.914 -0.114 0.000 3.083 242 V HA 0.253 4.373 4.120 -0.000 0.000 0.306 242 V C 0.491 176.458 176.094 -0.212 0.000 1.077 242 V CA -0.148 62.083 62.300 -0.116 0.000 1.073 242 V CB 1.694 33.422 31.823 -0.157 0.000 1.081 242 V HN 0.092 nan 8.190 nan 0.000 0.474 243 T N 3.430 117.901 114.554 -0.140 0.000 2.809 243 T HA 0.508 4.858 4.350 -0.000 0.000 0.284 243 T C -0.661 174.011 174.700 -0.046 0.000 0.992 243 T CA -0.046 61.996 62.100 -0.097 0.000 0.957 243 T CB 0.402 69.274 68.868 0.007 0.000 0.942 243 T HN 0.315 nan 8.240 nan 0.000 0.439 244 F N 4.991 125.037 119.950 0.160 0.000 2.421 244 F HA 0.477 5.004 4.527 -0.000 0.000 0.358 244 F C 0.859 176.734 175.800 0.125 0.000 1.115 244 F CA -0.968 57.130 58.000 0.163 0.000 1.160 244 F CB 0.465 39.556 39.000 0.151 0.000 1.123 244 F HN 0.435 nan 8.300 nan 0.000 0.508 245 I N -0.887 119.872 120.570 0.316 0.000 2.910 245 I HA 0.548 4.718 4.170 -0.000 0.000 0.310 245 I C -0.647 175.561 176.117 0.153 0.000 1.043 245 I CA -1.052 60.359 61.300 0.184 0.000 1.053 245 I CB 1.742 39.814 38.000 0.121 0.000 1.242 245 I HN 0.653 nan 8.210 nan 0.000 0.452 246 E N 3.018 123.280 120.200 0.103 0.000 2.302 246 E HA -0.186 4.164 4.350 -0.000 0.000 0.186 246 E C -0.691 175.952 176.600 0.071 0.000 1.444 246 E CA 0.294 56.739 56.400 0.075 0.000 0.671 246 E CB -0.869 28.870 29.700 0.065 0.000 1.122 246 E HN 0.695 nan 8.360 nan 0.000 0.366 247 Q N -1.717 118.122 119.800 0.066 0.000 2.461 247 Q HA -0.327 4.013 4.340 -0.000 0.000 0.273 247 Q C 1.039 177.063 176.000 0.041 0.000 1.163 247 Q CA 1.987 57.820 55.803 0.050 0.000 0.929 247 Q CB -2.037 26.721 28.738 0.033 0.000 1.334 247 Q HN 1.311 nan 8.270 nan 0.000 0.499 248 G N -0.395 108.446 108.800 0.068 0.000 2.184 248 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.264 248 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.264 248 G C 0.843 175.741 174.900 -0.003 0.000 0.975 248 G CA 0.523 45.627 45.100 0.006 0.000 0.642 248 G HN 0.325 nan 8.290 nan 0.000 0.536 249 R N -0.219 120.313 120.500 0.053 0.000 2.235 249 R HA 0.102 4.442 4.340 -0.000 0.000 0.213 249 R C 1.418 177.796 176.300 0.131 0.000 1.059 249 R CA 0.991 57.128 56.100 0.062 0.000 0.997 249 R CB -0.047 30.284 30.300 0.052 0.000 0.884 249 R HN 0.543 nan 8.270 nan 0.000 0.462 250 R N -0.568 120.054 120.500 0.204 0.000 2.831 250 R HA 0.361 4.701 4.340 -0.000 0.000 0.266 250 R C -0.954 175.653 176.300 0.512 0.000 1.051 250 R CA -0.723 55.552 56.100 0.291 0.000 0.943 250 R CB 1.843 32.223 30.300 0.132 0.000 1.228 250 R HN 0.019 nan 8.270 nan 0.000 0.467 251 W N 0.428 121.847 121.300 0.199 0.000 3.032 251 W HA 0.552 5.212 4.660 -0.000 0.000 0.335 251 W C -1.058 175.475 176.519 0.023 0.000 1.154 251 W CA -0.882 56.537 57.345 0.125 0.000 1.204 251 W CB 0.850 30.360 29.460 0.084 0.000 1.416 251 W HN 0.207 nan 8.180 nan 0.000 0.521 252 R N 2.232 122.766 120.500 0.057 0.000 2.297 252 R HA 0.286 4.626 4.340 -0.000 0.000 0.308 252 R C -0.196 176.079 176.300 -0.042 0.000 1.029 252 R CA -0.426 55.623 56.100 -0.085 0.000 0.929 252 R CB 1.841 32.130 30.300 -0.019 0.000 1.046 252 R HN 0.615 nan 8.270 nan 0.000 0.461 253 C N 5.669 124.856 119.300 -0.187 0.000 2.555 253 C HA 0.075 4.535 4.460 -0.000 0.000 0.385 253 C C 1.833 176.839 174.990 0.027 0.000 1.296 253 C CA -0.833 58.180 59.018 -0.009 0.000 1.757 253 C CB -0.833 26.860 27.740 -0.078 0.000 2.445 253 C HN 0.818 nan 8.230 nan 0.000 0.571 254 N N 4.144 122.832 118.700 -0.020 0.000 2.453 254 N HA -0.131 4.609 4.740 -0.000 0.000 0.183 254 N C 1.027 176.325 175.510 -0.353 0.000 1.041 254 N CA 1.370 54.217 53.050 -0.338 0.000 0.900 254 N CB -0.322 37.654 38.487 -0.853 0.000 0.961 254 N HN 0.742 nan 8.380 nan 0.000 0.443 255 F N 1.035 120.959 119.950 -0.044 0.000 2.179 255 F HA 0.086 4.613 4.527 -0.000 0.000 0.292 255 F C 2.407 178.239 175.800 0.053 0.000 1.089 255 F CA 0.871 58.901 58.000 0.051 0.000 1.295 255 F CB -0.213 38.834 39.000 0.077 0.000 1.041 255 F HN 0.299 nan 8.300 nan 0.000 0.487 256 C N -1.221 118.194 119.300 0.191 0.000 3.491 256 C HA 0.479 4.939 4.460 -0.000 0.000 0.298 256 C C 1.089 176.099 174.990 0.034 0.000 1.424 256 C CA -0.637 58.441 59.018 0.099 0.000 1.772 256 C CB -0.530 27.253 27.740 0.072 0.000 2.447 256 C HN 0.559 nan 8.230 nan 0.000 0.670 257 R N -0.953 119.554 120.500 0.012 0.000 3.875 257 R HA -0.210 4.130 4.340 -0.000 0.000 0.321 257 R C -0.277 175.982 176.300 -0.068 0.000 1.196 257 R CA 0.879 56.964 56.100 -0.024 0.000 0.868 257 R CB -2.151 28.151 30.300 0.003 0.000 1.333 257 R HN 0.652 nan 8.270 nan 0.000 0.522 258 L N 1.000 122.156 121.223 -0.112 0.000 2.305 258 L HA 0.511 4.851 4.340 -0.000 0.000 0.281 258 L C 0.513 177.226 176.870 -0.260 0.000 1.085 258 L CA 0.165 54.914 54.840 -0.152 0.000 0.813 258 L CB 1.086 43.058 42.059 -0.146 0.000 1.157 258 L HN 0.173 nan 8.230 nan 0.000 0.436 259 A N 4.993 127.689 122.820 -0.205 0.000 2.462 259 A HA 0.416 4.736 4.320 -0.000 0.000 0.243 259 A C -0.174 177.206 177.584 -0.341 0.000 1.076 259 A CA -0.260 51.633 52.037 -0.240 0.000 0.773 259 A CB -0.154 18.775 19.000 -0.118 0.000 1.010 259 A HN 0.883 nan 8.150 nan 0.000 0.493 260 N N 0.575 118.966 118.700 -0.515 0.000 2.509 260 N HA 0.313 5.053 4.740 -0.000 0.000 0.280 260 N C -1.650 173.782 175.510 -0.131 0.000 1.306 260 N CA -0.649 52.114 53.050 -0.477 0.000 0.782 260 N CB 1.710 39.570 38.487 -1.046 0.000 1.493 260 N HN 0.641 nan 8.380 nan 0.000 0.498 261 D N 0.885 121.331 120.400 0.076 0.000 2.249 261 D HA 0.199 4.839 4.640 -0.000 0.000 0.246 261 D C -0.152 176.358 176.300 0.350 0.000 1.114 261 D CA -0.202 53.906 54.000 0.178 0.000 0.854 261 D CB 2.101 42.964 40.800 0.105 0.000 1.132 261 D HN 0.063 nan 8.370 nan 0.000 0.461 262 V N 4.647 124.765 119.914 0.339 0.000 2.470 262 V HA 0.125 4.245 4.120 -0.000 0.000 0.276 262 V C -1.838 174.325 176.094 0.114 0.000 1.040 262 V CA -1.169 61.289 62.300 0.263 0.000 1.008 262 V CB 0.610 32.517 31.823 0.141 0.000 0.990 262 V HN 0.353 nan 8.190 nan 0.000 0.477 263 P HA 0.138 nan 4.420 nan 0.000 0.269 263 P C 1.050 178.351 177.300 0.001 0.000 1.209 263 P CA -0.249 62.877 63.100 0.043 0.000 0.776 263 P CB 0.517 32.242 31.700 0.040 0.000 0.876 264 M N 1.281 120.882 119.600 0.002 0.000 2.159 264 M HA -0.203 4.277 4.480 -0.000 0.000 0.263 264 M C 1.364 177.649 176.300 -0.025 0.000 1.063 264 M CA 1.748 57.039 55.300 -0.015 0.000 1.110 264 M CB -0.889 31.707 32.600 -0.006 0.000 1.374 264 M HN 0.257 nan 8.290 nan 0.000 0.411 265 Q N 0.381 120.172 119.800 -0.015 0.000 2.297 265 Q HA -0.095 4.245 4.340 -0.000 0.000 0.208 265 Q C 2.169 178.148 176.000 -0.035 0.000 0.981 265 Q CA 1.470 57.262 55.803 -0.017 0.000 0.876 265 Q CB -0.276 28.460 28.738 -0.003 0.000 0.921 265 Q HN 0.637 nan 8.270 nan 0.000 0.446 266 M N 0.263 119.831 119.600 -0.053 0.000 2.213 266 M HA -0.155 4.325 4.480 -0.000 0.000 0.263 266 M C 0.764 176.999 176.300 -0.109 0.000 1.062 266 M CA 1.307 56.553 55.300 -0.090 0.000 1.105 266 M CB -0.153 32.371 32.600 -0.127 0.000 1.385 266 M HN 0.201 nan 8.290 nan 0.000 0.417 267 D N -1.168 119.176 120.400 -0.093 0.000 2.392 267 D HA -0.015 4.625 4.640 -0.000 0.000 0.206 267 D C 1.579 177.848 176.300 -0.052 0.000 1.046 267 D CA 0.297 54.245 54.000 -0.085 0.000 0.865 267 D CB -0.120 40.627 40.800 -0.087 0.000 0.969 267 D HN 0.402 nan 8.370 nan 0.000 0.509 268 Q N 0.842 120.618 119.800 -0.040 0.000 2.561 268 Q HA -0.058 4.282 4.340 -0.000 0.000 0.217 268 Q C 1.776 177.761 176.000 -0.024 0.000 0.980 268 Q CA 0.411 56.198 55.803 -0.026 0.000 0.927 268 Q CB 0.112 28.838 28.738 -0.019 0.000 0.980 268 Q HN 0.089 nan 8.270 nan 0.000 0.525 269 S N 1.145 116.827 115.700 -0.031 0.000 2.354 269 S HA -0.107 4.363 4.470 -0.000 0.000 0.219 269 S C 0.365 174.953 174.600 -0.020 0.000 1.035 269 S CA 1.232 59.416 58.200 -0.026 0.000 1.037 269 S CB -0.004 63.175 63.200 -0.034 0.000 0.956 269 S HN 0.394 nan 8.310 nan 0.000 0.428 270 D N 1.110 121.498 120.400 -0.019 0.000 2.458 270 D HA 0.349 4.989 4.640 -0.000 0.000 0.258 270 D C -2.117 174.175 176.300 -0.014 0.000 1.134 270 D CA -1.936 52.057 54.000 -0.013 0.000 0.915 270 D CB 0.944 41.740 40.800 -0.007 0.000 1.028 270 D HN 0.005 nan 8.370 nan 0.000 0.508 271 P HA -0.238 nan 4.420 nan 0.000 0.226 271 P C 0.832 178.125 177.300 -0.011 0.000 1.154 271 P CA 1.419 64.512 63.100 -0.013 0.000 0.901 271 P CB 0.329 32.023 31.700 -0.010 0.000 0.788 272 N N -2.551 116.144 118.700 -0.008 0.000 2.197 272 N HA 0.002 4.742 4.740 -0.000 0.000 0.201 272 N C -0.072 175.435 175.510 -0.004 0.000 1.148 272 N CA 0.149 53.196 53.050 -0.006 0.000 0.883 272 N CB 0.075 38.559 38.487 -0.005 0.000 1.012 272 N HN 0.173 nan 8.380 nan 0.000 0.507 273 D N 1.791 122.189 120.400 -0.003 0.000 2.411 273 D HA 0.227 4.867 4.640 -0.000 0.000 0.225 273 D C -1.770 174.534 176.300 0.008 0.000 1.156 273 D CA -2.060 51.942 54.000 0.003 0.000 0.874 273 D CB 1.675 42.479 40.800 0.005 0.000 1.034 273 D HN -0.081 nan 8.370 nan 0.000 0.502 274 P HA -0.132 nan 4.420 nan 0.000 0.217 274 P C 0.168 177.510 177.300 0.071 0.000 1.148 274 P CA 1.125 64.236 63.100 0.019 0.000 0.828 274 P CB 0.181 31.893 31.700 0.020 0.000 0.783 275 K N -0.408 120.049 120.400 0.096 0.000 2.968 275 K HA 0.080 4.400 4.320 -0.000 0.000 0.249 275 K C 1.396 178.094 176.600 0.164 0.000 1.062 275 K CA 0.132 56.542 56.287 0.206 0.000 1.215 275 K CB -0.446 32.107 32.500 0.088 0.000 1.097 275 K HN 0.214 nan 8.250 nan 0.000 0.462 276 S N -0.134 115.604 115.700 0.064 0.000 2.388 276 S HA -0.087 4.383 4.470 -0.000 0.000 0.223 276 S C 1.778 176.349 174.600 -0.048 0.000 1.034 276 S CA 0.121 58.323 58.200 0.002 0.000 0.963 276 S CB -0.019 63.163 63.200 -0.029 0.000 0.827 276 S HN 0.306 nan 8.310 nan 0.000 0.481 277 R N 1.004 121.409 120.500 -0.160 0.000 2.132 277 R HA -0.132 4.208 4.340 -0.000 0.000 0.233 277 R C 1.964 178.105 176.300 -0.265 0.000 1.125 277 R CA 2.039 57.945 56.100 -0.323 0.000 0.914 277 R CB -1.138 28.741 30.300 -0.701 0.000 0.845 277 R HN 0.496 nan 8.270 nan 0.000 0.431 278 Y N 0.718 121.005 120.300 -0.021 0.000 2.723 278 Y HA -0.217 4.333 4.550 -0.000 0.000 0.286 278 Y C 1.587 177.470 175.900 -0.028 0.000 1.159 278 Y CA 1.093 59.189 58.100 -0.005 0.000 1.442 278 Y CB -0.462 37.999 38.460 0.001 0.000 0.959 278 Y HN 0.228 nan 8.280 nan 0.000 0.581 279 D N -0.504 119.921 120.400 0.042 0.000 2.379 279 D HA 0.055 4.695 4.640 -0.000 0.000 0.208 279 D C 0.280 176.559 176.300 -0.035 0.000 1.065 279 D CA 0.032 54.039 54.000 0.012 0.000 0.848 279 D CB 0.315 41.120 40.800 0.010 0.000 0.949 279 D HN 0.101 nan 8.370 nan 0.000 0.509 280 R N 0.584 121.046 120.500 -0.064 0.000 2.490 280 R HA 0.215 4.555 4.340 -0.000 0.000 0.280 280 R C 1.111 177.344 176.300 -0.112 0.000 1.077 280 R CA -0.395 55.651 56.100 -0.091 0.000 1.065 280 R CB 0.517 30.755 30.300 -0.102 0.000 1.003 280 R HN 0.064 nan 8.270 nan 0.000 0.470 281 N N 2.535 121.148 118.700 -0.146 0.000 2.149 281 N HA -0.201 4.539 4.740 -0.000 0.000 0.188 281 N C 1.280 176.663 175.510 -0.211 0.000 1.019 281 N CA 1.402 54.344 53.050 -0.180 0.000 0.857 281 N CB 0.017 38.369 38.487 -0.226 0.000 0.997 281 N HN 0.666 nan 8.380 nan 0.000 0.426 282 E N 0.639 120.693 120.200 -0.244 0.000 2.515 282 E HA -0.090 4.260 4.350 -0.000 0.000 0.201 282 E C 1.465 177.979 176.600 -0.144 0.000 1.071 282 E CA 0.596 56.873 56.400 -0.206 0.000 0.880 282 E CB -0.102 29.522 29.700 -0.127 0.000 0.828 282 E HN 0.461 nan 8.360 nan 0.000 0.540 283 I N -0.229 120.259 120.570 -0.137 0.000 4.032 283 I HA 0.021 4.191 4.170 -0.000 0.000 0.313 283 I C 1.941 177.991 176.117 -0.112 0.000 1.272 283 I CA -0.004 61.223 61.300 -0.121 0.000 1.307 283 I CB 0.307 38.253 38.000 -0.091 0.000 1.155 283 I HN -0.036 nan 8.210 nan 0.000 0.431 284 K N 0.310 120.648 120.400 -0.103 0.000 2.166 284 K HA 0.135 4.455 4.320 -0.000 0.000 0.201 284 K C 0.394 176.923 176.600 -0.118 0.000 1.052 284 K CA 0.595 56.829 56.287 -0.089 0.000 0.969 284 K CB 0.301 32.761 32.500 -0.066 0.000 0.761 284 K HN 0.259 nan 8.250 nan 0.000 0.459 285 C N 0.401 119.619 119.300 -0.137 0.000 2.417 285 C HA 0.556 5.016 4.460 -0.000 0.000 0.324 285 C C 1.379 176.284 174.990 -0.142 0.000 1.240 285 C CA -1.193 57.742 59.018 -0.138 0.000 1.632 285 C CB 1.097 28.748 27.740 -0.147 0.000 2.241 285 C HN 0.392 nan 8.230 nan 0.000 0.499 286 A N 1.773 124.530 122.820 -0.105 0.000 2.119 286 A HA 0.292 4.611 4.320 -0.000 0.000 0.216 286 A C 0.608 178.141 177.584 -0.085 0.000 1.152 286 A CA 0.985 53.003 52.037 -0.031 0.000 0.708 286 A CB -0.011 19.040 19.000 0.084 0.000 0.805 286 A HN 0.747 nan 8.150 nan 0.000 0.460 287 V N 1.218 121.017 119.914 -0.192 0.000 2.443 287 V HA 0.613 4.733 4.120 -0.000 0.000 0.293 287 V C -0.535 175.367 176.094 -0.319 0.000 1.021 287 V CA -0.208 61.892 62.300 -0.332 0.000 0.848 287 V CB 0.890 32.334 31.823 -0.631 0.000 0.998 287 V HN 0.670 nan 8.190 nan 0.000 0.424 288 M N 2.898 122.323 119.600 -0.291 0.000 3.084 288 M HA 0.760 5.240 4.480 -0.000 0.000 0.273 288 M C -1.053 175.082 176.300 -0.275 0.000 1.242 288 M CA -0.662 54.467 55.300 -0.285 0.000 0.819 288 M CB 1.617 34.031 32.600 -0.311 0.000 1.625 288 M HN 0.343 nan 8.290 nan 0.000 0.493 289 E N -0.802 119.231 120.200 -0.279 0.000 2.392 289 E HA 0.778 5.128 4.350 -0.000 0.000 0.269 289 E C -2.004 174.449 176.600 -0.245 0.000 0.924 289 E CA -0.652 55.633 56.400 -0.191 0.000 0.784 289 E CB 2.086 31.718 29.700 -0.112 0.000 1.292 289 E HN 0.629 nan 8.360 nan 0.000 0.447 290 Y N 0.332 120.547 120.300 -0.141 0.000 2.576 290 Y HA 0.413 4.963 4.550 -0.000 0.000 0.346 290 Y C -0.168 175.668 175.900 -0.106 0.000 1.018 290 Y CA -1.144 56.882 58.100 -0.124 0.000 1.050 290 Y CB 1.599 39.968 38.460 -0.151 0.000 1.280 290 Y HN 0.305 nan 8.280 nan 0.000 0.474 291 M N 2.403 122.065 119.600 0.105 0.000 2.069 291 M HA 0.399 4.879 4.480 -0.000 0.000 0.349 291 M C -0.143 176.167 176.300 0.016 0.000 1.194 291 M CA -0.720 54.605 55.300 0.041 0.000 1.081 291 M CB 0.496 33.115 32.600 0.033 0.000 1.500 291 M HN 0.819 nan 8.290 nan 0.000 0.438 292 A N 6.967 129.765 122.820 -0.037 0.000 2.488 292 A HA 0.484 4.804 4.320 -0.000 0.000 0.249 292 A C -2.114 175.477 177.584 0.012 0.000 1.083 292 A CA -0.778 51.185 52.037 -0.122 0.000 0.768 292 A CB -0.669 18.229 19.000 -0.170 0.000 1.017 292 A HN 0.488 nan 8.150 nan 0.000 0.496 293 P HA 0.046 nan 4.420 nan 0.000 0.272 293 P C 0.976 178.386 177.300 0.182 0.000 1.248 293 P CA -0.352 62.832 63.100 0.140 0.000 0.799 293 P CB 0.500 32.315 31.700 0.190 0.000 0.997 294 K N 1.420 121.891 120.400 0.119 0.000 2.063 294 K HA -0.206 4.114 4.320 -0.000 0.000 0.208 294 K C 1.626 178.277 176.600 0.085 0.000 1.048 294 K CA 1.553 57.894 56.287 0.090 0.000 0.928 294 K CB -0.201 32.331 32.500 0.053 0.000 0.713 294 K HN 0.493 nan 8.250 nan 0.000 0.442 295 E N -0.085 120.152 120.200 0.061 0.000 2.401 295 E HA -0.217 4.133 4.350 -0.000 0.000 0.199 295 E C 0.684 177.202 176.600 -0.136 0.000 1.023 295 E CA 1.122 57.490 56.400 -0.053 0.000 0.859 295 E CB -0.412 29.209 29.700 -0.131 0.000 0.780 295 E HN 0.505 nan 8.360 nan 0.000 0.523 296 Y N 1.993 122.296 120.300 0.005 0.000 2.462 296 Y HA 0.096 4.646 4.550 -0.000 0.000 0.293 296 Y C 0.642 176.550 175.900 0.014 0.000 1.195 296 Y CA 0.666 58.771 58.100 0.009 0.000 1.276 296 Y CB 0.310 38.779 38.460 0.014 0.000 1.082 296 Y HN 0.028 nan 8.280 nan 0.000 0.514 297 T N -3.135 111.476 114.554 0.096 0.000 2.881 297 T HA 0.513 4.863 4.350 -0.000 0.000 0.290 297 T C 0.326 175.042 174.700 0.028 0.000 1.000 297 T CA -0.684 61.456 62.100 0.068 0.000 0.978 297 T CB 1.540 70.450 68.868 0.070 0.000 0.997 297 T HN 0.090 nan 8.240 nan 0.000 0.443 298 L N 0.586 121.822 121.223 0.020 0.000 2.379 298 L HA 0.415 4.755 4.340 -0.000 0.000 0.190 298 L C 1.612 178.489 176.870 0.012 0.000 1.111 298 L CA -0.205 54.639 54.840 0.006 0.000 0.820 298 L CB -0.063 41.995 42.059 -0.001 0.000 1.046 298 L HN 0.473 nan 8.230 nan 0.000 0.485 299 R N 0.421 120.931 120.500 0.016 0.000 2.553 299 R HA 0.315 4.655 4.340 -0.000 0.000 0.263 299 R C -0.486 175.829 176.300 0.026 0.000 1.066 299 R CA -0.530 55.580 56.100 0.017 0.000 1.135 299 R CB 0.666 30.973 30.300 0.012 0.000 1.148 299 R HN 0.158 nan 8.270 nan 0.000 0.558 300 Q N 2.576 122.392 119.800 0.026 0.000 2.288 300 Q HA 0.174 4.514 4.340 -0.000 0.000 0.258 300 Q C -2.009 174.013 176.000 0.037 0.000 0.957 300 Q CA -1.821 54.001 55.803 0.032 0.000 0.919 300 Q CB 0.715 29.471 28.738 0.030 0.000 1.185 300 Q HN 0.289 nan 8.270 nan 0.000 0.408 301 P HA -0.118 nan 4.420 nan 0.000 0.262 301 P C -2.543 174.786 177.300 0.048 0.000 1.151 301 P CA -0.498 62.632 63.100 0.049 0.000 0.757 301 P CB -0.231 31.502 31.700 0.054 0.000 0.754 302 P HA 0.259 nan 4.420 nan 0.000 0.272 302 P C -2.507 174.832 177.300 0.064 0.000 1.240 302 P CA -1.309 61.822 63.100 0.051 0.000 0.791 302 P CB -0.685 31.042 31.700 0.046 0.000 0.978 303 P HA 0.305 nan 4.420 nan 0.000 0.298 303 P C -1.017 176.340 177.300 0.095 0.000 1.314 303 P CA -0.711 62.435 63.100 0.076 0.000 0.854 303 P CB 0.863 32.606 31.700 0.072 0.000 1.019 304 A N 2.773 125.657 122.820 0.106 0.000 2.548 304 A HA 0.326 4.646 4.320 -0.000 0.000 0.247 304 A C 0.128 177.803 177.584 0.153 0.000 1.067 304 A CA 0.944 53.062 52.037 0.134 0.000 0.757 304 A CB -0.821 18.228 19.000 0.081 0.000 0.996 304 A HN 0.486 nan 8.150 nan 0.000 0.504 305 T N 3.168 117.757 114.554 0.057 0.000 2.809 305 T HA 0.560 4.910 4.350 -0.000 0.000 0.284 305 T C -1.069 173.601 174.700 -0.050 0.000 0.992 305 T CA 0.045 62.193 62.100 0.079 0.000 0.957 305 T CB 0.418 69.313 68.868 0.044 0.000 0.942 305 T HN 0.445 nan 8.240 nan 0.000 0.439 306 Y N 0.609 120.967 120.300 0.096 0.000 2.528 306 Y HA 0.676 5.226 4.550 -0.000 0.000 0.335 306 Y C 0.283 176.180 175.900 -0.005 0.000 1.093 306 Y CA -1.249 56.845 58.100 -0.009 0.000 1.134 306 Y CB 1.631 40.076 38.460 -0.026 0.000 1.253 306 Y HN 0.677 nan 8.280 nan 0.000 0.478 307 C N 3.436 122.744 119.300 0.013 0.000 2.679 307 C HA 0.544 5.004 4.460 -0.000 0.000 0.354 307 C C -1.583 173.411 174.990 0.007 0.000 1.067 307 C CA -1.076 57.998 59.018 0.092 0.000 1.317 307 C CB -1.595 26.200 27.740 0.091 0.000 1.843 307 C HN 0.649 nan 8.230 nan 0.000 0.459 308 F N 6.511 126.584 119.950 0.206 0.000 2.368 308 F HA 0.427 4.954 4.527 -0.000 0.000 0.362 308 F C 0.285 176.179 175.800 0.156 0.000 1.137 308 F CA -0.628 57.495 58.000 0.204 0.000 1.161 308 F CB 0.917 40.028 39.000 0.185 0.000 1.265 308 F HN 0.477 nan 8.300 nan 0.000 0.530 309 L N 6.352 127.742 121.223 0.279 0.000 2.270 309 L HA 0.551 4.891 4.340 -0.000 0.000 0.286 309 L C -0.788 176.219 176.870 0.230 0.000 1.059 309 L CA -0.507 54.464 54.840 0.218 0.000 0.839 309 L CB -0.289 41.874 42.059 0.174 0.000 1.221 309 L HN 0.407 nan 8.230 nan 0.000 0.431 310 I N 3.611 124.282 120.570 0.169 0.000 2.412 310 I HA 0.298 4.468 4.170 -0.000 0.000 0.296 310 I C -0.228 175.891 176.117 0.004 0.000 0.987 310 I CA -0.762 60.574 61.300 0.059 0.000 1.180 310 I CB 1.631 39.617 38.000 -0.023 0.000 1.340 310 I HN 0.542 nan 8.210 nan 0.000 0.455 311 D N 5.004 125.304 120.400 -0.168 0.000 2.351 311 D HA 0.192 4.832 4.640 -0.000 0.000 0.251 311 D C 0.164 176.266 176.300 -0.331 0.000 1.137 311 D CA 0.080 53.836 54.000 -0.407 0.000 0.879 311 D CB 1.509 41.700 40.800 -1.015 0.000 1.181 311 D HN 0.231 nan 8.370 nan 0.000 0.448 312 V N 2.603 122.340 119.914 -0.295 0.000 3.432 312 V HA 0.095 4.215 4.120 -0.000 0.000 0.298 312 V C 1.151 177.108 176.094 -0.229 0.000 1.464 312 V CA -0.158 61.909 62.300 -0.387 0.000 1.046 312 V CB 0.051 31.364 31.823 -0.849 0.000 0.887 312 V HN 0.589 nan 8.190 nan 0.000 0.441 313 S N 0.064 115.679 115.700 -0.142 0.000 2.687 313 S HA -0.113 4.357 4.470 -0.000 0.000 0.248 313 S C 1.459 176.032 174.600 -0.045 0.000 1.390 313 S CA 0.913 59.087 58.200 -0.043 0.000 0.963 313 S CB 0.773 63.961 63.200 -0.020 0.000 0.957 313 S HN 0.596 nan 8.310 nan 0.000 0.584 314 Q N 0.659 120.457 119.800 -0.003 0.000 2.020 314 Q HA -0.113 4.227 4.340 -0.000 0.000 0.202 314 Q C 2.333 178.320 176.000 -0.022 0.000 0.982 314 Q CA 2.208 58.011 55.803 0.001 0.000 0.838 314 Q CB -0.715 28.034 28.738 0.019 0.000 0.899 314 Q HN 0.727 nan 8.270 nan 0.000 0.423 315 S N -0.457 115.225 115.700 -0.030 0.000 2.372 315 S HA -0.248 4.222 4.470 -0.000 0.000 0.227 315 S C 2.024 176.585 174.600 -0.065 0.000 1.044 315 S CA 1.863 60.041 58.200 -0.037 0.000 1.050 315 S CB -0.717 62.460 63.200 -0.039 0.000 0.901 315 S HN 0.551 nan 8.310 nan 0.000 0.447 316 S N -0.070 115.557 115.700 -0.122 0.000 2.442 316 S HA -0.014 4.456 4.470 -0.000 0.000 0.236 316 S C 1.662 176.188 174.600 -0.123 0.000 1.007 316 S CA 1.075 59.173 58.200 -0.169 0.000 0.965 316 S CB -0.412 62.634 63.200 -0.257 0.000 0.773 316 S HN 0.544 nan 8.310 nan 0.000 0.504 317 I N 1.011 121.534 120.570 -0.078 0.000 2.494 317 I HA 0.052 4.222 4.170 -0.000 0.000 0.250 317 I C 2.247 178.347 176.117 -0.028 0.000 1.112 317 I CA 0.923 62.195 61.300 -0.047 0.000 1.438 317 I CB -1.107 36.884 38.000 -0.015 0.000 1.111 317 I HN 0.291 nan 8.210 nan 0.000 0.431 318 K N 1.256 121.643 120.400 -0.020 0.000 2.097 318 K HA -0.125 4.195 4.320 -0.000 0.000 0.206 318 K C 2.208 178.802 176.600 -0.010 0.000 1.049 318 K CA 1.848 58.128 56.287 -0.013 0.000 0.933 318 K CB -0.161 32.335 32.500 -0.007 0.000 0.717 318 K HN 0.356 nan 8.250 nan 0.000 0.442 319 S N -0.545 115.159 115.700 0.008 0.000 2.428 319 S HA -0.005 4.465 4.470 -0.000 0.000 0.230 319 S C 1.651 176.296 174.600 0.075 0.000 1.014 319 S CA 0.914 59.149 58.200 0.059 0.000 0.957 319 S CB -0.050 63.251 63.200 0.168 0.000 0.784 319 S HN 0.478 nan 8.310 nan 0.000 0.499 320 G N 0.788 109.609 108.800 0.035 0.000 2.175 320 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.244 320 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.244 320 G C 0.564 175.481 174.900 0.029 0.000 0.982 320 G CA 0.378 45.489 45.100 0.020 0.000 0.641 320 G HN 0.718 nan 8.290 nan 0.000 0.527 321 L N 0.312 121.544 121.223 0.016 0.000 2.089 321 L HA -0.000 4.340 4.340 -0.000 0.000 0.213 321 L C 2.448 179.081 176.870 -0.396 0.000 1.079 321 L CA 3.124 57.724 54.840 -0.400 0.000 0.758 321 L CB -0.482 41.211 42.059 -0.611 0.000 0.891 321 L HN 0.511 nan 8.230 nan 0.000 0.433 322 L N -0.112 120.961 121.223 -0.251 0.000 1.988 322 L HA 0.002 4.342 4.340 -0.000 0.000 0.207 322 L C 2.576 179.345 176.870 -0.168 0.000 1.071 322 L CA 2.177 56.884 54.840 -0.220 0.000 0.744 322 L CB -1.399 40.557 42.059 -0.171 0.000 0.893 322 L HN 0.263 nan 8.230 nan 0.000 0.433 323 A N -1.308 121.445 122.820 -0.111 0.000 1.917 323 A HA -0.263 4.057 4.320 -0.000 0.000 0.219 323 A C 2.234 179.767 177.584 -0.085 0.000 1.182 323 A CA 2.609 54.598 52.037 -0.080 0.000 0.633 323 A CB -1.375 17.594 19.000 -0.052 0.000 0.819 323 A HN 0.581 nan 8.150 nan 0.000 0.448 324 T N -0.297 114.202 114.554 -0.091 0.000 2.643 324 T HA -0.139 4.211 4.350 -0.000 0.000 0.264 324 T C 2.040 176.683 174.700 -0.095 0.000 1.045 324 T CA 2.002 64.066 62.100 -0.061 0.000 1.155 324 T CB -0.793 68.056 68.868 -0.031 0.000 0.863 324 T HN 0.558 nan 8.240 nan 0.000 0.420 325 T N 2.539 116.967 114.554 -0.210 0.000 2.699 325 T HA -0.076 4.274 4.350 -0.000 0.000 0.268 325 T C 1.905 176.482 174.700 -0.205 0.000 1.036 325 T CA 0.947 62.860 62.100 -0.312 0.000 1.147 325 T CB -0.329 68.285 68.868 -0.422 0.000 0.862 325 T HN 0.204 nan 8.240 nan 0.000 0.446 326 I N 1.594 122.066 120.570 -0.165 0.000 2.439 326 I HA -0.059 4.111 4.170 -0.000 0.000 0.251 326 I C 2.282 178.337 176.117 -0.102 0.000 1.139 326 I CA 0.908 62.124 61.300 -0.138 0.000 1.438 326 I CB -1.185 36.742 38.000 -0.123 0.000 1.085 326 I HN 0.245 nan 8.210 nan 0.000 0.427 327 N N 0.826 119.480 118.700 -0.077 0.000 2.109 327 N HA -0.113 4.627 4.740 -0.000 0.000 0.188 327 N C 1.820 177.310 175.510 -0.033 0.000 1.034 327 N CA 1.846 54.865 53.050 -0.052 0.000 0.846 327 N CB -0.165 38.299 38.487 -0.038 0.000 1.010 327 N HN 0.290 nan 8.380 nan 0.000 0.425 328 T N 2.418 116.969 114.554 -0.003 0.000 2.607 328 T HA -0.178 4.172 4.350 -0.000 0.000 0.267 328 T C 2.003 176.721 174.700 0.030 0.000 1.049 328 T CA 1.042 63.171 62.100 0.048 0.000 1.162 328 T CB -0.591 68.372 68.868 0.157 0.000 0.863 328 T HN 0.098 nan 8.240 nan 0.000 0.424 329 L N 0.868 122.112 121.223 0.034 0.000 2.042 329 L HA -0.028 4.312 4.340 -0.000 0.000 0.210 329 L C 2.199 178.996 176.870 -0.122 0.000 1.076 329 L CA 1.493 56.289 54.840 -0.073 0.000 0.749 329 L CB -0.903 41.039 42.059 -0.194 0.000 0.893 329 L HN 0.190 nan 8.230 nan 0.000 0.432 330 L N -0.577 120.584 121.223 -0.103 0.000 2.046 330 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 330 L C 2.393 179.220 176.870 -0.072 0.000 1.077 330 L CA 1.833 56.616 54.840 -0.094 0.000 0.747 330 L CB -0.690 41.320 42.059 -0.082 0.000 0.896 330 L HN 0.457 nan 8.230 nan 0.000 0.432 331 Q N -1.055 118.711 119.800 -0.056 0.000 2.432 331 Q HA 0.018 4.358 4.340 -0.000 0.000 0.205 331 Q C 0.574 176.546 176.000 -0.048 0.000 0.945 331 Q CA 0.550 56.326 55.803 -0.045 0.000 0.924 331 Q CB 0.118 28.836 28.738 -0.033 0.000 1.016 331 Q HN 0.538 nan 8.270 nan 0.000 0.503 332 N N -0.013 118.652 118.700 -0.058 0.000 2.275 332 N HA 0.140 4.880 4.740 -0.000 0.000 0.236 332 N C 0.940 176.395 175.510 -0.091 0.000 1.154 332 N CA 0.080 53.091 53.050 -0.065 0.000 0.866 332 N CB 0.708 39.159 38.487 -0.059 0.000 1.093 332 N HN 0.226 nan 8.380 nan 0.000 0.515 333 L N 0.179 121.344 121.223 -0.097 0.000 2.191 333 L HA -0.116 4.224 4.340 -0.000 0.000 0.212 333 L C 1.395 178.209 176.870 -0.094 0.000 1.103 333 L CA 1.088 55.862 54.840 -0.111 0.000 0.769 333 L CB -0.157 41.843 42.059 -0.098 0.000 0.908 333 L HN 0.037 nan 8.230 nan 0.000 0.438 334 D N -0.448 119.907 120.400 -0.075 0.000 2.183 334 D HA -0.090 4.550 4.640 -0.000 0.000 0.203 334 D C 2.262 178.522 176.300 -0.067 0.000 0.969 334 D CA 1.128 55.090 54.000 -0.065 0.000 0.842 334 D CB 0.170 40.939 40.800 -0.051 0.000 0.957 334 D HN 0.251 nan 8.370 nan 0.000 0.484 335 S N 0.792 116.454 115.700 -0.063 0.000 2.406 335 S HA -0.010 4.460 4.470 -0.000 0.000 0.228 335 S C 1.296 175.860 174.600 -0.059 0.000 1.020 335 S CA 0.123 58.299 58.200 -0.040 0.000 0.965 335 S CB 0.165 63.350 63.200 -0.023 0.000 0.798 335 S HN 0.227 nan 8.310 nan 0.000 0.488 336 I N 3.482 123.983 120.570 -0.116 0.000 2.668 336 I HA 0.078 4.248 4.170 -0.000 0.000 0.285 336 I C -2.367 173.652 176.117 -0.163 0.000 1.168 336 I CA -1.950 59.244 61.300 -0.177 0.000 1.424 336 I CB 0.133 37.963 38.000 -0.283 0.000 1.377 336 I HN -0.034 nan 8.210 nan 0.000 0.560 337 P HA -0.035 nan 4.420 nan 0.000 0.265 337 P C -0.163 176.995 177.300 -0.237 0.000 1.187 337 P CA 0.323 63.263 63.100 -0.266 0.000 0.766 337 P CB 0.359 31.911 31.700 -0.247 0.000 0.820 338 N N 0.770 119.252 118.700 -0.364 0.000 2.542 338 N HA -0.001 4.739 4.740 -0.000 0.000 0.253 338 N C 0.633 176.037 175.510 -0.177 0.000 1.461 338 N CA -0.008 52.933 53.050 -0.183 0.000 1.115 338 N CB -0.234 38.191 38.487 -0.102 0.000 1.439 338 N HN 0.362 nan 8.380 nan 0.000 0.533 339 H N 0.370 119.438 119.070 -0.003 0.000 2.289 339 H HA -0.120 4.436 4.556 -0.000 0.000 0.296 339 H C 0.811 176.144 175.328 0.009 0.000 1.091 339 H CA 2.155 58.204 56.048 0.002 0.000 1.274 339 H CB 0.023 29.783 29.762 -0.003 0.000 1.364 339 H HN 0.476 nan 8.280 nan 0.000 0.490 340 D N 0.394 120.871 120.400 0.128 0.000 2.363 340 D HA -0.099 4.541 4.640 -0.000 0.000 0.220 340 D C 0.496 176.827 176.300 0.052 0.000 0.994 340 D CA 0.532 54.581 54.000 0.082 0.000 0.890 340 D CB -0.384 40.461 40.800 0.075 0.000 0.906 340 D HN 0.526 nan 8.370 nan 0.000 0.530 341 E N -1.083 119.138 120.200 0.035 0.000 3.801 341 E HA -0.263 4.087 4.350 -0.000 0.000 0.319 341 E C 0.600 177.220 176.600 0.033 0.000 0.784 341 E CA 0.681 57.094 56.400 0.023 0.000 1.183 341 E CB -1.303 28.412 29.700 0.024 0.000 1.601 341 E HN 0.455 nan 8.360 nan 0.000 0.441 342 R N 0.520 121.046 120.500 0.044 0.000 2.334 342 R HA 0.088 4.428 4.340 -0.000 0.000 0.216 342 R C 0.215 176.557 176.300 0.071 0.000 0.905 342 R CA 0.101 56.233 56.100 0.054 0.000 1.064 342 R CB 0.301 30.635 30.300 0.056 0.000 1.046 342 R HN -0.061 nan 8.270 nan 0.000 0.508 343 T N 2.984 117.582 114.554 0.074 0.000 2.758 343 T HA 0.029 4.379 4.350 -0.000 0.000 0.281 343 T C 0.460 175.243 174.700 0.137 0.000 0.963 343 T CA 0.635 62.808 62.100 0.121 0.000 1.201 343 T CB 0.195 69.130 68.868 0.112 0.000 0.906 343 T HN 0.142 nan 8.240 nan 0.000 0.528 344 R N 2.790 123.392 120.500 0.170 0.000 2.532 344 R HA 0.780 5.120 4.340 -0.000 0.000 0.272 344 R C -0.183 176.264 176.300 0.245 0.000 1.032 344 R CA -0.822 55.378 56.100 0.166 0.000 1.089 344 R CB 1.487 31.869 30.300 0.137 0.000 1.098 344 R HN 0.556 nan 8.270 nan 0.000 0.526 345 I N -0.491 120.212 120.570 0.221 0.000 2.913 345 I HA 0.368 4.538 4.170 -0.000 0.000 0.302 345 I C -1.232 175.038 176.117 0.255 0.000 1.246 345 I CA -0.393 61.080 61.300 0.288 0.000 1.010 345 I CB 2.636 40.784 38.000 0.246 0.000 1.259 345 I HN 0.557 nan 8.210 nan 0.000 0.434 346 S N 5.387 121.276 115.700 0.315 0.000 2.588 346 S HA 0.730 5.200 4.470 -0.000 0.000 0.275 346 S C -1.217 173.581 174.600 0.329 0.000 1.130 346 S CA -0.532 57.834 58.200 0.275 0.000 0.855 346 S CB 2.183 65.521 63.200 0.229 0.000 1.116 346 S HN 0.425 nan 8.310 nan 0.000 0.472 347 I N 2.184 122.930 120.570 0.293 0.000 2.607 347 I HA 0.450 4.620 4.170 -0.000 0.000 0.290 347 I C -1.482 174.848 176.117 0.355 0.000 1.129 347 I CA -0.469 61.007 61.300 0.292 0.000 1.042 347 I CB 1.738 39.804 38.000 0.111 0.000 1.242 347 I HN 0.293 nan 8.210 nan 0.000 0.421 348 L N 5.554 126.935 121.223 0.263 0.000 2.404 348 L HA 0.481 4.821 4.340 -0.000 0.000 0.272 348 L C -0.936 176.054 176.870 0.200 0.000 0.980 348 L CA -0.500 54.441 54.840 0.169 0.000 0.836 348 L CB 1.980 44.026 42.059 -0.022 0.000 1.238 348 L HN 0.610 nan 8.230 nan 0.000 0.408 349 C N 3.391 122.859 119.300 0.279 0.000 2.388 349 C HA 0.687 5.147 4.460 -0.000 0.000 0.362 349 C C 0.392 175.436 174.990 0.090 0.000 1.266 349 C CA -0.489 58.571 59.018 0.070 0.000 2.028 349 C CB 1.205 28.909 27.740 -0.060 0.000 2.440 349 C HN 0.491 nan 8.230 nan 0.000 0.547 350 V N 4.294 124.253 119.914 0.075 0.000 2.709 350 V HA 0.616 4.736 4.120 -0.000 0.000 0.308 350 V C -0.537 175.710 176.094 0.254 0.000 1.062 350 V CA -0.338 62.088 62.300 0.209 0.000 0.901 350 V CB 2.043 33.992 31.823 0.211 0.000 1.003 350 V HN 1.030 nan 8.190 nan 0.000 0.425 351 D N 1.577 122.128 120.400 0.251 0.000 4.224 351 D HA 0.091 4.731 4.640 -0.000 0.000 0.305 351 D C 0.900 177.301 176.300 0.169 0.000 1.612 351 D CA 0.108 54.250 54.000 0.237 0.000 0.977 351 D CB -0.055 40.864 40.800 0.200 0.000 1.419 351 D HN 0.433 nan 8.370 nan 0.000 0.661 352 N N 0.126 118.916 118.700 0.149 0.000 2.519 352 N HA 0.058 4.798 4.740 -0.000 0.000 0.186 352 N C 0.262 175.805 175.510 0.056 0.000 1.062 352 N CA 0.549 53.651 53.050 0.086 0.000 0.910 352 N CB 0.152 38.689 38.487 0.084 0.000 0.958 352 N HN 0.487 nan 8.380 nan 0.000 0.445 353 A N 0.496 123.369 122.820 0.089 0.000 2.527 353 A HA 0.653 4.973 4.320 -0.000 0.000 0.293 353 A C -1.004 176.582 177.584 0.004 0.000 1.117 353 A CA -0.841 51.189 52.037 -0.011 0.000 0.723 353 A CB 1.387 20.315 19.000 -0.120 0.000 1.313 353 A HN 0.153 nan 8.150 nan 0.000 0.411 354 I N 1.912 122.439 120.570 -0.071 0.000 2.336 354 I HA 0.312 4.482 4.170 -0.000 0.000 0.292 354 I C -0.537 175.527 176.117 -0.087 0.000 0.991 354 I CA -0.282 61.002 61.300 -0.026 0.000 1.227 354 I CB 0.989 38.962 38.000 -0.045 0.000 1.366 354 I HN 0.570 nan 8.210 nan 0.000 0.466 355 H N 6.276 125.306 119.070 -0.066 0.000 2.551 355 H HA 0.349 4.905 4.556 -0.000 0.000 0.321 355 H C -1.077 174.007 175.328 -0.407 0.000 1.028 355 H CA -0.592 55.378 56.048 -0.129 0.000 1.215 355 H CB 1.227 30.979 29.762 -0.017 0.000 1.414 355 H HN 0.400 nan 8.280 nan 0.000 0.480 356 Y N 1.563 121.632 120.300 -0.385 0.000 2.480 356 Y HA 0.360 4.910 4.550 -0.000 0.000 0.323 356 Y C -0.198 175.265 175.900 -0.729 0.000 1.267 356 Y CA -0.888 57.019 58.100 -0.322 0.000 1.336 356 Y CB 0.990 39.369 38.460 -0.136 0.000 1.361 356 Y HN 0.420 nan 8.280 nan 0.000 0.518 357 F N 0.300 120.408 119.950 0.263 0.000 2.653 357 F HA 0.288 4.815 4.527 -0.000 0.000 0.327 357 F C -0.338 175.551 175.800 0.148 0.000 1.195 357 F CA -1.256 56.852 58.000 0.179 0.000 0.993 357 F CB 1.458 40.543 39.000 0.142 0.000 1.259 357 F HN 0.171 nan 8.300 nan 0.000 0.478 358 K N 5.111 125.662 120.400 0.250 0.000 2.349 358 K HA 0.530 4.850 4.320 -0.000 0.000 0.288 358 K C -0.978 175.729 176.600 0.178 0.000 1.058 358 K CA -0.025 56.368 56.287 0.177 0.000 0.953 358 K CB 0.514 33.084 32.500 0.116 0.000 0.997 358 K HN 0.754 nan 8.250 nan 0.000 0.477 359 I N 7.705 128.366 120.570 0.152 0.000 2.411 359 I HA 0.264 4.434 4.170 -0.000 0.000 0.284 359 I C -2.224 173.945 176.117 0.087 0.000 1.012 359 I CA -2.591 58.779 61.300 0.117 0.000 1.119 359 I CB 1.795 39.861 38.000 0.111 0.000 1.261 359 I HN 0.497 nan 8.210 nan 0.000 0.448 360 P HA 0.307 nan 4.420 nan 0.000 0.277 360 P C -0.268 177.060 177.300 0.047 0.000 1.271 360 P CA -0.499 62.634 63.100 0.056 0.000 0.795 360 P CB 0.755 32.484 31.700 0.048 0.000 1.101 361 L N 0.410 121.657 121.223 0.040 0.000 2.475 361 L HA 0.163 4.503 4.340 -0.000 0.000 0.250 361 L C 0.917 177.804 176.870 0.027 0.000 1.224 361 L CA -0.115 54.745 54.840 0.034 0.000 0.821 361 L CB -0.027 42.051 42.059 0.031 0.000 1.141 361 L HN 0.324 nan 8.230 nan 0.000 0.494 373 I N 3.002 123.614 120.570 0.071 0.000 2.598 373 I HA 0.107 4.277 4.170 -0.000 0.000 0.284 373 I C -0.236 175.954 176.117 0.122 0.000 1.140 373 I CA 0.620 61.984 61.300 0.105 0.000 1.420 373 I CB 0.073 38.133 38.000 0.100 0.000 1.387 373 I HN 0.472 nan 8.210 nan 0.000 0.553 374 N N 6.757 125.549 118.700 0.153 0.000 2.321 374 N HA 0.624 5.364 4.740 -0.000 0.000 0.290 374 N C -1.046 174.565 175.510 0.169 0.000 1.212 374 N CA -0.994 52.135 53.050 0.131 0.000 0.767 374 N CB 2.369 40.905 38.487 0.082 0.000 1.494 374 N HN 0.506 nan 8.380 nan 0.000 0.479 375 M N 2.034 121.696 119.600 0.103 0.000 2.243 375 M HA 0.449 4.929 4.480 -0.000 0.000 0.324 375 M C -1.740 174.521 176.300 -0.064 0.000 1.031 375 M CA -0.529 54.752 55.300 -0.032 0.000 0.949 375 M CB 1.137 33.774 32.600 0.061 0.000 1.615 375 M HN 0.548 nan 8.290 nan 0.000 0.430 376 M N 4.128 123.655 119.600 -0.121 0.000 2.047 376 M HA 0.270 4.750 4.480 -0.000 0.000 0.342 376 M C -1.105 175.159 176.300 -0.059 0.000 1.058 376 M CA -0.553 54.707 55.300 -0.068 0.000 0.991 376 M CB 0.921 33.470 32.600 -0.085 0.000 1.474 376 M HN 0.491 nan 8.290 nan 0.000 0.419 377 D N 3.995 124.350 120.400 -0.075 0.000 2.339 377 D HA 0.339 4.979 4.640 -0.000 0.000 0.256 377 D C -0.770 175.467 176.300 -0.105 0.000 1.214 377 D CA 0.434 54.346 54.000 -0.147 0.000 0.877 377 D CB 0.676 41.410 40.800 -0.109 0.000 1.111 377 D HN 0.470 nan 8.370 nan 0.000 0.478 378 I N 2.719 123.221 120.570 -0.113 0.000 2.420 378 I HA 0.284 4.454 4.170 -0.000 0.000 0.282 378 I C 0.503 176.595 176.117 -0.042 0.000 1.019 378 I CA -0.546 60.717 61.300 -0.062 0.000 1.130 378 I CB 1.802 39.697 38.000 -0.174 0.000 1.262 378 I HN 0.401 nan 8.210 nan 0.000 0.454 379 A N 3.703 126.525 122.820 0.002 0.000 2.387 379 A HA 0.088 4.408 4.320 -0.000 0.000 0.234 379 A C 0.513 178.125 177.584 0.047 0.000 1.253 379 A CA 0.020 52.062 52.037 0.009 0.000 0.894 379 A CB -0.209 18.793 19.000 0.004 0.000 0.963 379 A HN 0.652 nan 8.150 nan 0.000 0.508 380 D N 0.858 121.325 120.400 0.111 0.000 2.441 380 D HA 0.306 4.946 4.640 -0.000 0.000 0.221 380 D C 0.367 176.745 176.300 0.129 0.000 1.156 380 D CA -0.223 53.860 54.000 0.139 0.000 0.896 380 D CB 0.125 41.062 40.800 0.228 0.000 1.028 380 D HN 0.290 nan 8.370 nan 0.000 0.509 381 L N 2.648 123.903 121.223 0.053 0.000 2.688 381 L HA 0.217 4.557 4.340 -0.000 0.000 0.234 381 L C 1.523 178.402 176.870 0.015 0.000 1.192 381 L CA -0.174 54.676 54.840 0.017 0.000 0.984 381 L CB -0.039 42.001 42.059 -0.032 0.000 1.232 381 L HN 0.262 nan 8.230 nan 0.000 0.465 382 E N 0.962 121.193 120.200 0.051 0.000 2.057 382 E HA 0.027 4.377 4.350 -0.000 0.000 0.190 382 E C 0.402 177.034 176.600 0.054 0.000 0.969 382 E CA 1.044 57.464 56.400 0.033 0.000 0.812 382 E CB 0.535 30.252 29.700 0.027 0.000 0.777 382 E HN 0.187 nan 8.360 nan 0.000 0.455 383 E N 0.884 121.148 120.200 0.108 0.000 2.248 383 E HA 0.305 4.655 4.350 -0.000 0.000 0.267 383 E C -2.413 174.309 176.600 0.203 0.000 0.877 383 E CA -2.471 54.005 56.400 0.126 0.000 0.759 383 E CB 1.593 31.350 29.700 0.094 0.000 1.182 383 E HN 0.124 nan 8.360 nan 0.000 0.418 384 P HA 0.197 nan 4.420 nan 0.000 0.276 384 P C -0.835 176.518 177.300 0.088 0.000 1.264 384 P CA -0.166 63.019 63.100 0.142 0.000 0.769 384 P CB -0.298 31.578 31.700 0.293 0.000 0.840 385 F N 2.177 122.108 119.950 -0.031 0.000 2.565 385 F HA 0.614 5.141 4.527 -0.000 0.000 0.313 385 F C -1.335 174.406 175.800 -0.098 0.000 1.091 385 F CA -1.636 56.308 58.000 -0.093 0.000 0.915 385 F CB 1.152 40.098 39.000 -0.089 0.000 1.208 385 F HN 0.027 nan 8.300 nan 0.000 0.453 386 L N 3.736 124.890 121.223 -0.114 0.000 2.357 386 L HA 0.405 4.745 4.340 -0.000 0.000 0.273 386 L C -1.569 175.142 176.870 -0.265 0.000 1.080 386 L CA -1.746 52.922 54.840 -0.287 0.000 0.803 386 L CB 1.478 43.486 42.059 -0.084 0.000 1.174 386 L HN 0.540 nan 8.230 nan 0.000 0.443 387 P HA -0.068 nan 4.420 nan 0.000 0.215 387 P C -0.522 176.707 177.300 -0.119 0.000 1.157 387 P CA 1.187 64.104 63.100 -0.306 0.000 0.863 387 P CB 0.268 31.675 31.700 -0.489 0.000 0.787 388 R N -2.086 118.350 120.500 -0.107 0.000 2.869 388 R HA 0.498 4.838 4.340 -0.000 0.000 0.263 388 R C -2.392 173.906 176.300 -0.003 0.000 1.066 388 R CA -1.598 54.484 56.100 -0.029 0.000 0.960 388 R CB -0.423 29.871 30.300 -0.009 0.000 1.221 388 R HN -0.234 nan 8.270 nan 0.000 0.474 389 P HA 0.104 nan 4.420 nan 0.000 0.262 389 P C -1.203 176.122 177.300 0.042 0.000 1.304 389 P CA 0.288 63.405 63.100 0.028 0.000 0.859 389 P CB 0.149 31.864 31.700 0.024 0.000 1.310 390 N N -2.454 116.275 118.700 0.049 0.000 3.356 390 N HA -0.026 4.714 4.740 -0.000 0.000 0.246 390 N C -0.785 174.770 175.510 0.075 0.000 1.480 390 N CA -0.461 52.626 53.050 0.062 0.000 0.877 390 N CB 0.116 38.634 38.487 0.051 0.000 1.431 390 N HN -0.225 nan 8.380 nan 0.000 0.500 391 S N -0.951 114.798 115.700 0.082 0.000 3.748 391 S HA -0.135 4.335 4.470 -0.000 0.000 0.329 391 S C 0.462 175.138 174.600 0.127 0.000 1.104 391 S CA 1.325 59.581 58.200 0.094 0.000 0.954 391 S CB -1.626 61.623 63.200 0.082 0.000 0.910 391 S HN 0.640 nan 8.310 nan 0.000 0.494 392 M N -1.459 118.226 119.600 0.141 0.000 2.429 392 M HA 0.160 4.640 4.480 -0.000 0.000 0.230 392 M C 0.225 176.634 176.300 0.181 0.000 1.469 392 M CA 0.648 56.062 55.300 0.189 0.000 1.097 392 M CB 0.717 33.447 32.600 0.217 0.000 1.490 392 M HN 0.123 nan 8.290 nan 0.000 0.556 393 V N 3.919 123.924 119.914 0.151 0.000 2.247 393 V HA 0.250 4.370 4.120 -0.000 0.000 0.262 393 V C -0.047 176.122 176.094 0.125 0.000 1.096 393 V CA -0.689 61.697 62.300 0.145 0.000 0.895 393 V CB 0.435 32.333 31.823 0.125 0.000 1.141 393 V HN 0.187 nan 8.190 nan 0.000 0.478 394 V N 1.933 121.924 119.914 0.128 0.000 2.834 394 V HA 0.660 4.780 4.120 -0.000 0.000 0.313 394 V C 0.525 176.677 176.094 0.097 0.000 1.060 394 V CA -0.578 61.784 62.300 0.104 0.000 0.989 394 V CB 1.968 33.848 31.823 0.095 0.000 1.041 394 V HN 0.597 nan 8.190 nan 0.000 0.459 395 S N 2.372 118.118 115.700 0.077 0.000 2.509 395 S HA 0.072 4.542 4.470 -0.000 0.000 0.287 395 S C 0.826 175.459 174.600 0.056 0.000 1.248 395 S CA -0.287 57.953 58.200 0.066 0.000 1.089 395 S CB -0.154 63.077 63.200 0.052 0.000 0.900 395 S HN 1.001 nan 8.310 nan 0.000 0.496 396 L N 6.204 127.461 121.223 0.056 0.000 2.261 396 L HA -0.033 4.306 4.340 -0.000 0.000 0.216 396 L C 2.038 178.915 176.870 0.011 0.000 1.114 396 L CA 1.800 56.659 54.840 0.031 0.000 0.777 396 L CB -0.569 41.502 42.059 0.019 0.000 0.910 396 L HN 0.625 nan 8.230 nan 0.000 0.440 397 K N -0.497 119.913 120.400 0.017 0.000 1.997 397 K HA 0.103 4.423 4.320 -0.000 0.000 0.212 397 K C 1.933 178.541 176.600 0.013 0.000 1.033 397 K CA 1.098 57.391 56.287 0.009 0.000 0.950 397 K CB -0.787 31.721 32.500 0.013 0.000 0.751 397 K HN 0.306 nan 8.250 nan 0.000 0.444 398 A N 0.625 123.458 122.820 0.021 0.000 2.204 398 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 398 A C 1.832 179.430 177.584 0.023 0.000 1.165 398 A CA 1.623 53.674 52.037 0.022 0.000 0.671 398 A CB -0.624 18.393 19.000 0.028 0.000 0.792 398 A HN 0.474 nan 8.150 nan 0.000 0.473 399 C N -2.457 116.858 119.300 0.024 0.000 3.525 399 C HA 0.320 4.780 4.460 -0.000 0.000 0.289 399 C C 2.012 177.009 174.990 0.012 0.000 1.496 399 C CA -0.223 58.810 59.018 0.025 0.000 1.804 399 C CB -0.995 26.768 27.740 0.039 0.000 2.708 399 C HN 0.798 nan 8.230 nan 0.000 0.642 400 R N 1.724 122.226 120.500 0.003 0.000 2.094 400 R HA -0.200 4.140 4.340 -0.000 0.000 0.239 400 R C 2.149 178.439 176.300 -0.015 0.000 1.137 400 R CA 1.993 58.086 56.100 -0.012 0.000 0.943 400 R CB -0.162 30.127 30.300 -0.017 0.000 0.850 400 R HN 0.465 nan 8.270 nan 0.000 0.433 401 Q N 0.399 120.194 119.800 -0.008 0.000 2.029 401 Q HA -0.222 4.118 4.340 -0.000 0.000 0.209 401 Q C 1.842 177.837 176.000 -0.009 0.000 0.999 401 Q CA 1.988 57.786 55.803 -0.009 0.000 0.857 401 Q CB -0.679 28.058 28.738 -0.002 0.000 0.926 401 Q HN 0.534 nan 8.270 nan 0.000 0.415 402 N N 0.505 119.205 118.700 -0.000 0.000 2.188 402 N HA -0.063 4.677 4.740 -0.000 0.000 0.184 402 N C 2.083 177.587 175.510 -0.010 0.000 1.018 402 N CA 0.854 53.907 53.050 0.004 0.000 0.858 402 N CB -0.293 38.206 38.487 0.021 0.000 0.989 402 N HN 0.303 nan 8.380 nan 0.000 0.426 403 I N 1.694 122.255 120.570 -0.015 0.000 2.208 403 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 403 I C 2.096 178.173 176.117 -0.066 0.000 1.097 403 I CA 1.190 62.467 61.300 -0.038 0.000 1.363 403 I CB -0.281 37.697 38.000 -0.035 0.000 1.051 403 I HN 0.144 nan 8.210 nan 0.000 0.413 404 E N 0.450 120.618 120.200 -0.054 0.000 2.077 404 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 404 E C 2.179 178.744 176.600 -0.058 0.000 0.989 404 E CA 1.852 58.215 56.400 -0.061 0.000 0.800 404 E CB -0.170 29.502 29.700 -0.047 0.000 0.746 404 E HN 0.492 nan 8.360 nan 0.000 0.452 405 T N 2.079 116.608 114.554 -0.042 0.000 2.652 405 T HA -0.183 4.167 4.350 -0.000 0.000 0.267 405 T C 1.877 176.548 174.700 -0.049 0.000 1.039 405 T CA 1.158 63.237 62.100 -0.034 0.000 1.153 405 T CB -0.373 68.486 68.868 -0.015 0.000 0.863 405 T HN 0.056 nan 8.240 nan 0.000 0.428 406 L N 1.116 122.301 121.223 -0.063 0.000 2.042 406 L HA -0.029 4.311 4.340 -0.000 0.000 0.210 406 L C 2.171 178.947 176.870 -0.157 0.000 1.076 406 L CA 1.591 56.365 54.840 -0.111 0.000 0.749 406 L CB -0.954 41.016 42.059 -0.148 0.000 0.893 406 L HN 0.276 nan 8.230 nan 0.000 0.432 407 L N -1.143 119.992 121.223 -0.148 0.000 2.046 407 L HA -0.235 4.105 4.340 -0.000 0.000 0.208 407 L C 2.360 179.167 176.870 -0.104 0.000 1.077 407 L CA 1.833 56.584 54.840 -0.149 0.000 0.747 407 L CB -1.133 40.842 42.059 -0.140 0.000 0.896 407 L HN 0.298 nan 8.230 nan 0.000 0.432 408 T N -0.410 114.097 114.554 -0.078 0.000 2.699 408 T HA -0.226 4.124 4.350 -0.000 0.000 0.268 408 T C 1.914 176.589 174.700 -0.043 0.000 1.036 408 T CA 1.448 63.516 62.100 -0.054 0.000 1.147 408 T CB -0.090 68.753 68.868 -0.041 0.000 0.862 408 T HN 0.321 nan 8.240 nan 0.000 0.446 409 K N 0.463 120.838 120.400 -0.042 0.000 2.044 409 K HA 0.132 4.452 4.320 -0.000 0.000 0.204 409 K C 2.278 178.877 176.600 -0.001 0.000 1.049 409 K CA 0.813 57.087 56.287 -0.021 0.000 0.945 409 K CB -0.337 32.157 32.500 -0.009 0.000 0.724 409 K HN 0.270 nan 8.250 nan 0.000 0.440 410 I N 1.376 121.939 120.570 -0.013 0.000 2.141 410 I HA -0.317 3.853 4.170 -0.000 0.000 0.243 410 I C -0.911 175.289 176.117 0.137 0.000 1.035 410 I CA 1.767 63.109 61.300 0.071 0.000 1.302 410 I CB -1.509 36.466 38.000 -0.042 0.000 1.006 410 I HN 0.111 nan 8.210 nan 0.000 0.413 411 P HA -0.158 nan 4.420 nan 0.000 0.220 411 P C 1.439 178.774 177.300 0.059 0.000 1.148 411 P CA 1.371 64.498 63.100 0.045 0.000 0.803 411 P CB 0.007 31.703 31.700 -0.005 0.000 0.782 412 Q N -0.879 118.942 119.800 0.033 0.000 2.061 412 Q HA -0.006 4.334 4.340 -0.000 0.000 0.195 412 Q C 2.176 178.162 176.000 -0.023 0.000 0.967 412 Q CA 0.949 56.755 55.803 0.006 0.000 0.829 412 Q CB -0.582 28.150 28.738 -0.009 0.000 0.900 412 Q HN 0.234 nan 8.270 nan 0.000 0.450 413 I N 0.066 120.605 120.570 -0.053 0.000 2.300 413 I HA -0.272 3.898 4.170 -0.000 0.000 0.252 413 I C 1.074 176.900 176.117 -0.486 0.000 1.119 413 I CA 1.503 62.650 61.300 -0.256 0.000 1.384 413 I CB -0.090 37.745 38.000 -0.276 0.000 1.062 413 I HN 0.139 nan 8.210 nan 0.000 0.426 414 F N -0.572 119.370 119.950 -0.013 0.000 2.688 414 F HA 0.162 4.689 4.527 -0.000 0.000 0.310 414 F C 1.996 177.784 175.800 -0.021 0.000 1.098 414 F CA -0.229 57.757 58.000 -0.023 0.000 1.228 414 F CB -0.264 38.705 39.000 -0.051 0.000 1.042 414 F HN -0.069 nan 8.300 nan 0.000 0.557 415 Q N 1.346 121.204 119.800 0.097 0.000 2.274 415 Q HA -0.260 4.079 4.340 -0.000 0.000 0.217 415 Q C 0.127 176.156 176.000 0.050 0.000 1.008 415 Q CA 1.920 57.755 55.803 0.053 0.000 0.925 415 Q CB -0.043 28.706 28.738 0.017 0.000 0.957 415 Q HN 0.374 nan 8.270 nan 0.000 0.416 416 S N 0.125 115.857 115.700 0.054 0.000 2.620 416 S HA 0.380 4.850 4.470 -0.000 0.000 0.244 416 S C -1.206 173.435 174.600 0.068 0.000 1.192 416 S CA -1.081 57.148 58.200 0.048 0.000 1.148 416 S CB 1.226 64.442 63.200 0.026 0.000 1.106 416 S HN 0.223 nan 8.310 nan 0.000 0.474 417 N N 2.969 121.724 118.700 0.092 0.000 2.392 417 N HA 0.422 5.162 4.740 -0.000 0.000 0.283 417 N C 0.274 175.831 175.510 0.078 0.000 1.003 417 N CA -0.710 52.409 53.050 0.115 0.000 0.892 417 N CB 1.460 40.058 38.487 0.185 0.000 1.193 417 N HN 0.679 nan 8.380 nan 0.000 0.487 418 L N 2.986 124.252 121.223 0.071 0.000 2.509 418 L HA 0.282 4.622 4.340 -0.000 0.000 0.222 418 L C 0.755 177.661 176.870 0.060 0.000 1.123 418 L CA 0.085 54.958 54.840 0.055 0.000 0.856 418 L CB 0.027 42.114 42.059 0.045 0.000 0.985 418 L HN 0.496 nan 8.230 nan 0.000 0.456 419 I N 0.142 120.760 120.570 0.080 0.000 2.752 419 I HA -0.096 4.074 4.170 -0.000 0.000 0.287 419 I C 0.780 176.939 176.117 0.070 0.000 1.188 419 I CA 0.722 62.072 61.300 0.084 0.000 1.427 419 I CB 0.677 38.747 38.000 0.117 0.000 1.365 419 I HN 0.006 nan 8.210 nan 0.000 0.585 420 T N 3.440 118.035 114.554 0.068 0.000 3.200 420 T HA 0.209 4.559 4.350 -0.000 0.000 0.284 420 T C 0.025 174.774 174.700 0.082 0.000 1.009 420 T CA -0.430 61.708 62.100 0.062 0.000 0.907 420 T CB -0.366 68.532 68.868 0.050 0.000 1.120 420 T HN 0.470 nan 8.240 nan 0.000 0.534 421 N N 1.644 120.405 118.700 0.101 0.000 2.384 421 N HA 0.551 5.291 4.740 -0.000 0.000 0.301 421 N C -1.597 174.034 175.510 0.203 0.000 1.133 421 N CA -0.547 52.574 53.050 0.119 0.000 0.853 421 N CB 1.887 40.421 38.487 0.079 0.000 1.241 421 N HN 0.117 nan 8.380 nan 0.000 0.502 422 F N 1.096 121.048 119.950 0.004 0.000 2.716 422 F HA 0.489 5.015 4.527 -0.000 0.000 0.354 422 F C -0.779 175.014 175.800 -0.012 0.000 1.168 422 F CA -1.327 56.670 58.000 -0.005 0.000 1.045 422 F CB 0.659 39.653 39.000 -0.011 0.000 1.311 422 F HN 0.538 nan 8.300 nan 0.000 0.477 423 A N 6.632 129.241 122.820 -0.352 0.000 2.990 423 A HA 0.316 4.636 4.320 -0.000 0.000 0.282 423 A C 1.019 178.219 177.584 -0.641 0.000 1.688 423 A CA -0.158 51.642 52.037 -0.396 0.000 1.391 423 A CB -0.644 18.232 19.000 -0.208 0.000 1.112 423 A HN 0.944 nan 8.150 nan 0.000 0.588 424 L N 2.607 123.307 121.223 -0.872 0.000 2.027 424 L HA 0.058 4.398 4.340 -0.000 0.000 0.206 424 L C 2.269 178.888 176.870 -0.419 0.000 1.074 424 L CA 2.631 57.035 54.840 -0.726 0.000 0.745 424 L CB -0.808 40.960 42.059 -0.484 0.000 0.898 424 L HN 0.520 nan 8.230 nan 0.000 0.433 425 G N -0.195 108.319 108.800 -0.477 0.000 2.514 425 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.217 425 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.217 425 G C -0.586 174.021 174.900 -0.488 0.000 1.198 425 G CA 1.106 45.749 45.100 -0.761 0.000 0.780 425 G HN 0.373 nan 8.290 nan 0.000 0.565 426 P HA -0.058 nan 4.420 nan 0.000 0.215 426 P C 2.284 179.511 177.300 -0.123 0.000 1.157 426 P CA 2.182 65.168 63.100 -0.190 0.000 0.868 426 P CB -0.221 31.385 31.700 -0.157 0.000 0.788 427 A N -0.795 121.923 122.820 -0.170 0.000 1.908 427 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 427 A C 2.116 179.659 177.584 -0.069 0.000 1.181 427 A CA 1.493 53.457 52.037 -0.122 0.000 0.627 427 A CB -1.704 17.200 19.000 -0.160 0.000 0.818 427 A HN 0.087 nan 8.150 nan 0.000 0.445 428 L N -0.193 120.952 121.223 -0.131 0.000 2.083 428 L HA -0.135 4.205 4.340 -0.000 0.000 0.209 428 L C 2.309 179.175 176.870 -0.008 0.000 1.083 428 L CA 1.949 56.689 54.840 -0.165 0.000 0.752 428 L CB -0.727 41.069 42.059 -0.438 0.000 0.899 428 L HN 0.380 nan 8.230 nan 0.000 0.433 429 K N -1.392 119.037 120.400 0.048 0.000 2.057 429 K HA -0.075 4.245 4.320 -0.000 0.000 0.206 429 K C 2.102 178.901 176.600 0.330 0.000 1.050 429 K CA 1.393 57.827 56.287 0.244 0.000 0.935 429 K CB -0.067 32.550 32.500 0.196 0.000 0.715 429 K HN 0.247 nan 8.250 nan 0.000 0.439 430 S N 1.244 117.088 115.700 0.240 0.000 2.359 430 S HA -0.182 4.288 4.470 -0.000 0.000 0.224 430 S C 2.188 176.955 174.600 0.279 0.000 1.035 430 S CA 1.355 59.724 58.200 0.282 0.000 1.018 430 S CB -0.315 62.995 63.200 0.184 0.000 0.876 430 S HN 0.430 nan 8.310 nan 0.000 0.448 431 A N 0.697 123.632 122.820 0.192 0.000 1.940 431 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 431 A C 1.958 179.680 177.584 0.229 0.000 1.176 431 A CA 1.796 53.941 52.037 0.180 0.000 0.631 431 A CB -1.026 18.064 19.000 0.149 0.000 0.814 431 A HN 0.629 nan 8.150 nan 0.000 0.446 432 Y N -0.220 120.172 120.300 0.153 0.000 2.181 432 Y HA -0.262 4.288 4.550 -0.000 0.000 0.288 432 Y C 2.470 178.341 175.900 -0.050 0.000 1.146 432 Y CA 2.311 60.440 58.100 0.049 0.000 1.164 432 Y CB -0.253 38.229 38.460 0.037 0.000 0.982 432 Y HN 0.478 nan 8.280 nan 0.000 0.515 433 H N -0.962 118.276 119.070 0.279 0.000 2.502 433 H HA -0.065 4.491 4.556 -0.000 0.000 0.283 433 H C 2.056 177.433 175.328 0.082 0.000 1.015 433 H CA 1.273 57.411 56.048 0.150 0.000 1.298 433 H CB 0.003 29.892 29.762 0.211 0.000 1.411 433 H HN 0.385 nan 8.280 nan 0.000 0.556 434 L N 1.339 122.696 121.223 0.222 0.000 2.131 434 L HA -0.011 4.329 4.340 -0.000 0.000 0.206 434 L C 1.964 178.893 176.870 0.099 0.000 1.087 434 L CA 1.351 56.298 54.840 0.179 0.000 0.767 434 L CB -0.249 41.934 42.059 0.207 0.000 0.917 434 L HN 0.292 nan 8.230 nan 0.000 0.441 435 I N -5.529 115.065 120.570 0.040 0.000 4.240 435 I HA 0.415 4.585 4.170 -0.000 0.000 0.331 435 I C 1.756 177.811 176.117 -0.103 0.000 1.381 435 I CA 0.470 61.768 61.300 -0.004 0.000 1.136 435 I CB -0.394 37.614 38.000 0.014 0.000 1.137 435 I HN 0.007 nan 8.210 nan 0.000 0.411 436 G N 1.678 110.346 108.800 -0.221 0.000 2.470 436 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.220 436 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.220 436 G C 1.409 176.151 174.900 -0.263 0.000 1.121 436 G CA 0.835 45.680 45.100 -0.425 0.000 0.766 436 G HN 0.526 nan 8.290 nan 0.000 0.553 437 G N 0.504 109.221 108.800 -0.137 0.000 2.453 437 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.215 437 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.215 437 G C 1.640 176.501 174.900 -0.065 0.000 1.201 437 G CA 1.332 46.386 45.100 -0.076 0.000 0.784 437 G HN 0.298 nan 8.290 nan 0.000 0.545 438 V N 0.681 120.568 119.914 -0.046 0.000 3.052 438 V HA 0.389 4.509 4.120 -0.000 0.000 0.254 438 V C 1.480 177.544 176.094 -0.051 0.000 1.100 438 V CA 0.854 63.136 62.300 -0.030 0.000 1.112 438 V CB -0.984 30.839 31.823 0.000 0.000 0.738 438 V HN 1.037 nan 8.190 nan 0.000 0.469 439 G N -0.963 107.786 108.800 -0.085 0.000 2.730 439 G HA2 0.391 4.351 3.960 -0.000 0.000 0.686 439 G HA3 0.391 4.351 3.960 -0.000 0.000 0.686 439 G C -0.013 174.833 174.900 -0.089 0.000 1.343 439 G CA -0.529 44.506 45.100 -0.109 0.000 0.826 439 G HN 1.164 nan 8.290 nan 0.000 0.582 440 G N -0.280 108.448 108.800 -0.120 0.000 2.593 440 G HA2 0.630 4.590 3.960 -0.000 0.000 0.103 440 G HA3 0.630 4.590 3.960 -0.000 0.000 0.103 440 G C -0.946 173.813 174.900 -0.236 0.000 1.103 440 G CA 0.490 45.496 45.100 -0.157 0.000 1.109 440 G HN 1.146 nan 8.290 nan 0.000 0.516 441 K N 0.420 120.670 120.400 -0.250 0.000 2.601 441 K HA 0.608 4.928 4.320 -0.000 0.000 0.249 441 K C -1.253 175.275 176.600 -0.119 0.000 0.966 441 K CA -0.602 55.532 56.287 -0.254 0.000 0.827 441 K CB 1.596 33.810 32.500 -0.476 0.000 1.178 441 K HN 0.357 nan 8.250 nan 0.000 0.437 442 I N 6.160 126.719 120.570 -0.020 0.000 2.304 442 I HA 0.284 4.454 4.170 -0.000 0.000 0.291 442 I C -0.149 176.014 176.117 0.078 0.000 1.018 442 I CA -0.601 60.725 61.300 0.044 0.000 1.260 442 I CB 0.909 38.985 38.000 0.127 0.000 1.390 442 I HN 0.428 nan 8.210 nan 0.000 0.475 443 I N 7.314 127.912 120.570 0.047 0.000 2.321 443 I HA 0.295 4.465 4.170 -0.000 0.000 0.291 443 I C -0.323 175.967 176.117 0.289 0.000 0.998 443 I CA -0.700 60.719 61.300 0.199 0.000 1.227 443 I CB 1.517 39.602 38.000 0.142 0.000 1.368 443 I HN 0.188 nan 8.210 nan 0.000 0.466 444 V N 7.518 127.643 119.914 0.351 0.000 2.427 444 V HA 0.378 4.498 4.120 -0.000 0.000 0.286 444 V C 0.013 176.345 176.094 0.397 0.000 1.034 444 V CA -0.613 61.885 62.300 0.331 0.000 0.893 444 V CB 1.994 33.982 31.823 0.274 0.000 0.982 444 V HN 0.398 nan 8.190 nan 0.000 0.452 445 V N 4.136 124.211 119.914 0.269 0.000 2.444 445 V HA 0.747 4.867 4.120 -0.000 0.000 0.294 445 V C -0.133 175.945 176.094 -0.026 0.000 1.022 445 V CA -0.110 62.280 62.300 0.149 0.000 0.850 445 V CB 1.728 33.529 31.823 -0.038 0.000 0.992 445 V HN 0.935 nan 8.190 nan 0.000 0.426 446 S N 3.106 118.758 115.700 -0.080 0.000 2.537 446 S HA 0.723 5.193 4.470 -0.000 0.000 0.270 446 S C 0.291 174.727 174.600 -0.275 0.000 1.142 446 S CA 0.237 58.254 58.200 -0.305 0.000 0.870 446 S CB 2.059 65.074 63.200 -0.309 0.000 1.112 446 S HN 0.984 nan 8.310 nan 0.000 0.466 447 G N 1.453 110.036 108.800 -0.362 0.000 3.596 447 G HA2 0.401 4.361 3.960 -0.000 0.000 0.274 447 G HA3 0.401 4.361 3.960 -0.000 0.000 0.274 447 G C -0.354 174.438 174.900 -0.180 0.000 1.007 447 G CA -0.171 44.791 45.100 -0.230 0.000 0.825 447 G HN 0.710 nan 8.290 nan 0.000 0.508 448 T N 1.012 115.408 114.554 -0.263 0.000 2.886 448 T HA 0.444 4.794 4.350 -0.000 0.000 0.292 448 T C -0.738 173.974 174.700 0.021 0.000 1.012 448 T CA -0.515 61.509 62.100 -0.126 0.000 0.982 448 T CB 2.628 71.411 68.868 -0.142 0.000 1.018 448 T HN 0.112 nan 8.240 nan 0.000 0.451 449 L N 4.386 125.650 121.223 0.068 0.000 2.461 449 L HA 0.361 4.701 4.340 -0.000 0.000 0.272 449 L C -2.425 174.564 176.870 0.199 0.000 1.197 449 L CA -1.318 53.575 54.840 0.088 0.000 0.836 449 L CB -0.093 42.018 42.059 0.086 0.000 1.105 449 L HN 0.341 nan 8.230 nan 0.000 0.477 450 P HA 0.028 nan 4.420 nan 0.000 0.260 450 P C -0.519 176.842 177.300 0.101 0.000 1.185 450 P CA 0.451 63.640 63.100 0.148 0.000 0.763 450 P CB 0.382 32.156 31.700 0.123 0.000 0.776 451 N N 2.798 121.550 118.700 0.087 0.000 2.545 451 N HA 0.062 4.802 4.740 -0.000 0.000 0.190 451 N C -0.309 175.211 175.510 0.017 0.000 1.043 451 N CA 0.442 53.533 53.050 0.069 0.000 0.879 451 N CB 0.216 38.769 38.487 0.110 0.000 1.210 451 N HN 0.221 nan 8.380 nan 0.000 0.437 452 L N 0.510 121.719 121.223 -0.024 0.000 2.409 452 L HA 0.669 5.009 4.340 -0.000 0.000 0.272 452 L C -0.086 176.718 176.870 -0.111 0.000 0.980 452 L CA 0.315 55.127 54.840 -0.047 0.000 0.826 452 L CB 1.521 43.568 42.059 -0.020 0.000 1.268 452 L HN 0.365 nan 8.230 nan 0.000 0.407 453 G N 3.637 112.368 108.800 -0.115 0.000 2.331 453 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.479 453 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.479 453 G C 0.497 175.262 174.900 -0.224 0.000 1.262 453 G CA -0.340 44.656 45.100 -0.173 0.000 1.029 453 G HN 0.773 nan 8.290 nan 0.000 0.487 454 I N 0.759 121.128 120.570 -0.336 0.000 2.151 454 I HA -0.024 4.146 4.170 -0.000 0.000 0.243 454 I C 2.369 178.189 176.117 -0.495 0.000 1.080 454 I CA 2.119 63.160 61.300 -0.431 0.000 1.339 454 I CB -0.402 37.209 38.000 -0.647 0.000 1.039 454 I HN 0.682 nan 8.210 nan 0.000 0.409 455 G N 1.976 110.371 108.800 -0.674 0.000 3.936 455 G HA2 0.181 4.141 3.960 -0.000 0.000 0.296 455 G HA3 0.181 4.141 3.960 -0.000 0.000 0.296 455 G C 0.211 175.090 174.900 -0.035 0.000 1.121 455 G CA -0.506 44.339 45.100 -0.425 0.000 0.899 455 G HN 0.382 nan 8.290 nan 0.000 0.542 456 K N 0.296 120.655 120.400 -0.070 0.000 2.518 456 K HA 0.328 4.648 4.320 -0.000 0.000 0.276 456 K C -0.590 176.058 176.600 0.080 0.000 0.974 456 K CA 0.173 56.466 56.287 0.011 0.000 0.986 456 K CB 0.965 33.456 32.500 -0.014 0.000 0.901 456 K HN 0.092 nan 8.250 nan 0.000 0.497 457 L N 1.030 122.313 121.223 0.100 0.000 2.283 457 L HA 0.402 4.742 4.340 -0.000 0.000 0.259 457 L C -0.256 176.683 176.870 0.115 0.000 1.027 457 L CA -1.217 53.693 54.840 0.117 0.000 0.828 457 L CB 2.190 44.317 42.059 0.114 0.000 1.380 457 L HN 0.703 nan 8.230 nan 0.000 0.425 458 Q N 0.175 120.052 119.800 0.128 0.000 2.458 458 Q HA 0.531 4.871 4.340 -0.000 0.000 0.282 458 Q C -1.151 174.916 176.000 0.112 0.000 1.106 458 Q CA -1.229 54.636 55.803 0.103 0.000 0.814 458 Q CB 2.205 30.973 28.738 0.050 0.000 1.425 458 Q HN 0.305 nan 8.270 nan 0.000 0.437 459 R N 1.205 121.712 120.500 0.010 0.000 2.734 459 R HA 0.228 4.568 4.340 -0.000 0.000 0.266 459 R C 0.005 176.126 176.300 -0.298 0.000 1.044 459 R CA 0.329 56.271 56.100 -0.263 0.000 1.128 459 R CB 0.174 30.359 30.300 -0.192 0.000 1.010 459 R HN 0.520 nan 8.270 nan 0.000 0.461 460 R N 0.862 121.045 120.500 -0.528 0.000 2.782 460 R HA 0.180 4.520 4.340 -0.000 0.000 0.258 460 R C 0.093 176.271 176.300 -0.203 0.000 1.055 460 R CA -1.044 54.899 56.100 -0.261 0.000 1.065 460 R CB 0.677 30.864 30.300 -0.188 0.000 1.172 460 R HN 0.493 nan 8.270 nan 0.000 0.510 461 N N 1.295 119.928 118.700 -0.110 0.000 2.427 461 N HA -0.024 4.716 4.740 -0.000 0.000 0.269 461 N C -1.024 174.442 175.510 -0.074 0.000 1.235 461 N CA 0.678 53.681 53.050 -0.078 0.000 0.934 461 N CB 0.572 39.032 38.487 -0.045 0.000 1.121 461 N HN 0.432 nan 8.380 nan 0.000 0.480 468 T N -0.600 113.959 114.554 0.008 0.000 3.792 468 T HA 0.040 4.390 4.350 -0.000 0.000 0.290 468 T C 1.472 176.182 174.700 0.018 0.000 0.946 468 T CA 0.992 63.100 62.100 0.013 0.000 1.172 468 T CB -0.932 67.943 68.868 0.011 0.000 1.095 468 T HN 0.601 nan 8.240 nan 0.000 0.453 469 S N 3.203 118.912 115.700 0.015 0.000 2.492 469 S HA -0.173 4.297 4.470 -0.000 0.000 0.234 469 S C 0.954 175.567 174.600 0.022 0.000 1.050 469 S CA 1.249 59.459 58.200 0.018 0.000 1.203 469 S CB -0.582 62.627 63.200 0.014 0.000 1.161 469 S HN 0.509 nan 8.310 nan 0.000 0.417 470 K N 2.065 122.477 120.400 0.019 0.000 3.135 470 K HA 0.237 4.557 4.320 -0.000 0.000 0.210 470 K C 0.908 177.521 176.600 0.021 0.000 1.176 470 K CA 0.160 56.461 56.287 0.022 0.000 1.064 470 K CB 0.509 33.021 32.500 0.021 0.000 1.009 470 K HN 0.726 nan 8.250 nan 0.000 0.472 471 E N -0.198 120.015 120.200 0.020 0.000 2.401 471 E HA -0.147 4.203 4.350 -0.000 0.000 0.199 471 E C 0.571 177.183 176.600 0.020 0.000 1.023 471 E CA 1.169 57.580 56.400 0.017 0.000 0.859 471 E CB -0.100 29.610 29.700 0.016 0.000 0.780 471 E HN 0.057 nan 8.360 nan 0.000 0.523 472 T N 0.942 115.511 114.554 0.026 0.000 2.852 472 T HA 0.062 4.412 4.350 -0.000 0.000 0.256 472 T C 2.046 176.763 174.700 0.028 0.000 1.038 472 T CA 1.096 63.213 62.100 0.028 0.000 1.141 472 T CB -0.218 68.673 68.868 0.038 0.000 0.869 472 T HN 0.391 nan 8.240 nan 0.000 0.439 473 A N 1.008 123.845 122.820 0.028 0.000 1.986 473 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 473 A C 2.150 179.749 177.584 0.025 0.000 1.171 473 A CA 1.782 53.835 52.037 0.027 0.000 0.640 473 A CB -0.455 18.560 19.000 0.025 0.000 0.811 473 A HN 0.555 nan 8.150 nan 0.000 0.451 474 Q N -1.668 118.145 119.800 0.022 0.000 2.511 474 Q HA 0.329 4.669 4.340 -0.000 0.000 0.236 474 Q C 1.828 177.842 176.000 0.024 0.000 0.893 474 Q CA 0.308 56.123 55.803 0.020 0.000 0.947 474 Q CB 0.186 28.930 28.738 0.011 0.000 1.110 474 Q HN 0.592 nan 8.270 nan 0.000 0.591 475 L N 0.052 121.289 121.223 0.023 0.000 2.416 475 L HA 0.100 4.440 4.340 -0.000 0.000 0.216 475 L C 1.745 178.638 176.870 0.038 0.000 1.098 475 L CA 0.569 55.429 54.840 0.034 0.000 0.840 475 L CB 0.120 42.194 42.059 0.026 0.000 0.981 475 L HN 0.185 nan 8.230 nan 0.000 0.462 476 L N -0.955 120.282 121.223 0.024 0.000 2.425 476 L HA 0.123 4.463 4.340 -0.000 0.000 0.215 476 L C 1.486 178.365 176.870 0.015 0.000 1.065 476 L CA -0.105 54.742 54.840 0.011 0.000 0.842 476 L CB 0.068 42.130 42.059 0.003 0.000 1.033 476 L HN 0.204 nan 8.230 nan 0.000 0.474 477 S N -0.380 115.335 115.700 0.026 0.000 2.569 477 S HA -0.044 4.426 4.470 -0.000 0.000 0.274 477 S C 0.128 174.748 174.600 0.034 0.000 1.353 477 S CA -0.840 57.380 58.200 0.033 0.000 1.023 477 S CB 0.797 64.018 63.200 0.035 0.000 0.876 477 S HN 0.269 nan 8.310 nan 0.000 0.540 478 C N 3.079 122.405 119.300 0.043 0.000 2.566 478 C HA 0.243 4.703 4.460 -0.000 0.000 0.393 478 C C 1.641 176.676 174.990 0.074 0.000 1.309 478 C CA -0.343 58.707 59.018 0.053 0.000 1.801 478 C CB -0.984 26.802 27.740 0.078 0.000 2.493 478 C HN 1.050 nan 8.230 nan 0.000 0.575 479 Q N 2.049 121.897 119.800 0.079 0.000 1.856 479 Q HA -0.085 4.255 4.340 -0.000 0.000 0.228 479 Q C 0.673 176.753 176.000 0.134 0.000 0.987 479 Q CA 1.391 57.253 55.803 0.099 0.000 0.873 479 Q CB -0.129 28.671 28.738 0.103 0.000 0.928 479 Q HN 0.848 nan 8.270 nan 0.000 0.425 480 D N -0.394 120.133 120.400 0.212 0.000 2.308 480 D HA -0.003 4.637 4.640 -0.000 0.000 0.251 480 D C 0.182 176.635 176.300 0.256 0.000 1.127 480 D CA 0.079 54.213 54.000 0.223 0.000 0.876 480 D CB 1.266 42.219 40.800 0.255 0.000 1.176 480 D HN 0.240 nan 8.370 nan 0.000 0.446 481 S N 3.139 118.930 115.700 0.151 0.000 2.660 481 S HA -0.092 4.378 4.470 -0.000 0.000 0.223 481 S C 1.575 176.220 174.600 0.075 0.000 0.963 481 S CA -0.413 57.849 58.200 0.105 0.000 0.932 481 S CB -0.536 62.694 63.200 0.049 0.000 0.775 481 S HN 0.583 nan 8.310 nan 0.000 0.531 482 F N 1.995 121.890 119.950 -0.092 0.000 2.206 482 F HA 0.046 4.573 4.527 -0.000 0.000 0.298 482 F C 1.584 177.246 175.800 -0.230 0.000 1.090 482 F CA 0.709 58.575 58.000 -0.223 0.000 1.323 482 F CB -0.453 38.296 39.000 -0.419 0.000 1.028 482 F HN 0.169 nan 8.300 nan 0.000 0.492 483 Y N 0.610 120.866 120.300 -0.074 0.000 2.497 483 Y HA -0.069 4.481 4.550 -0.000 0.000 0.292 483 Y C 2.196 178.016 175.900 -0.133 0.000 1.137 483 Y CA 1.210 59.219 58.100 -0.152 0.000 1.285 483 Y CB -0.384 38.103 38.460 0.046 0.000 0.991 483 Y HN 0.080 nan 8.280 nan 0.000 0.556 484 K N -0.501 119.879 120.400 -0.033 0.000 2.244 484 K HA 0.001 4.321 4.320 -0.000 0.000 0.200 484 K C 1.519 178.016 176.600 -0.171 0.000 1.052 484 K CA 0.522 56.746 56.287 -0.106 0.000 0.980 484 K CB 0.091 32.515 32.500 -0.126 0.000 0.838 484 K HN 0.225 nan 8.250 nan 0.000 0.481 485 N N 0.886 119.475 118.700 -0.186 0.000 2.244 485 N HA -0.159 4.580 4.740 -0.000 0.000 0.183 485 N C 1.568 176.914 175.510 -0.273 0.000 1.016 485 N CA 0.938 53.870 53.050 -0.196 0.000 0.866 485 N CB -0.227 38.168 38.487 -0.153 0.000 0.980 485 N HN 0.079 nan 8.380 nan 0.000 0.430 486 F N 2.503 122.131 119.950 -0.536 0.000 2.216 486 F HA -0.145 4.382 4.527 -0.000 0.000 0.300 486 F C 2.504 178.107 175.800 -0.329 0.000 1.085 486 F CA 1.523 59.179 58.000 -0.572 0.000 1.326 486 F CB -0.517 37.926 39.000 -0.928 0.000 1.027 486 F HN 0.080 nan 8.300 nan 0.000 0.497 487 T N -1.689 112.718 114.554 -0.246 0.000 2.951 487 T HA -0.113 4.237 4.350 -0.000 0.000 0.268 487 T C 2.097 176.629 174.700 -0.280 0.000 1.073 487 T CA 1.500 63.489 62.100 -0.184 0.000 1.134 487 T CB -0.858 68.045 68.868 0.058 0.000 0.884 487 T HN 0.395 nan 8.240 nan 0.000 0.479 488 I N 1.480 121.897 120.570 -0.255 0.000 2.439 488 I HA -0.068 4.102 4.170 -0.000 0.000 0.251 488 I C 2.145 178.040 176.117 -0.369 0.000 1.139 488 I CA 1.141 62.288 61.300 -0.256 0.000 1.438 488 I CB -0.277 37.655 38.000 -0.113 0.000 1.085 488 I HN 0.185 nan 8.210 nan 0.000 0.427 489 D N 0.409 120.558 120.400 -0.418 0.000 2.183 489 D HA -0.102 4.538 4.640 -0.000 0.000 0.203 489 D C 2.222 178.349 176.300 -0.288 0.000 0.969 489 D CA 1.063 54.823 54.000 -0.400 0.000 0.842 489 D CB -0.209 40.200 40.800 -0.651 0.000 0.957 489 D HN 0.346 nan 8.370 nan 0.000 0.484 490 C N 1.214 120.242 119.300 -0.455 0.000 2.419 490 C HA -0.084 4.376 4.460 -0.000 0.000 0.283 490 C C 2.952 177.761 174.990 -0.301 0.000 1.373 490 C CA 1.185 60.017 59.018 -0.310 0.000 1.781 490 C CB -1.004 26.513 27.740 -0.372 0.000 1.886 490 C HN 0.408 nan 8.230 nan 0.000 0.520 491 S N 1.030 116.450 115.700 -0.465 0.000 2.428 491 S HA -0.114 4.356 4.470 -0.000 0.000 0.230 491 S C 1.604 176.000 174.600 -0.340 0.000 1.014 491 S CA 1.010 58.869 58.200 -0.568 0.000 0.957 491 S CB -0.387 62.055 63.200 -1.264 0.000 0.784 491 S HN 0.693 nan 8.310 nan 0.000 0.499 492 K N 1.129 121.375 120.400 -0.257 0.000 2.148 492 K HA 0.051 4.371 4.320 -0.000 0.000 0.204 492 K C 1.750 178.275 176.600 -0.125 0.000 1.050 492 K CA 1.424 57.621 56.287 -0.149 0.000 0.942 492 K CB -0.261 32.187 32.500 -0.088 0.000 0.724 492 K HN 0.529 nan 8.250 nan 0.000 0.446 493 V N -2.129 117.696 119.914 -0.149 0.000 3.319 493 V HA 0.143 4.263 4.120 -0.000 0.000 0.317 493 V C -0.621 175.366 176.094 -0.179 0.000 1.411 493 V CA -0.631 61.551 62.300 -0.196 0.000 1.112 493 V CB 0.132 31.727 31.823 -0.379 0.000 1.031 493 V HN 0.173 nan 8.190 nan 0.000 0.448 494 Q N 0.389 120.095 119.800 -0.156 0.000 2.460 494 Q HA -0.157 4.182 4.340 -0.000 0.000 0.311 494 Q C -0.341 175.579 176.000 -0.134 0.000 1.396 494 Q CA 1.004 56.731 55.803 -0.127 0.000 0.838 494 Q CB -2.097 26.589 28.738 -0.086 0.000 1.140 494 Q HN 0.810 nan 8.270 nan 0.000 0.415 495 I N -0.007 120.476 120.570 -0.145 0.000 2.562 495 I HA 0.452 4.622 4.170 -0.000 0.000 0.301 495 I C 0.608 176.670 176.117 -0.092 0.000 1.003 495 I CA -0.640 60.589 61.300 -0.118 0.000 1.127 495 I CB 2.184 40.132 38.000 -0.086 0.000 1.304 495 I HN -0.042 nan 8.210 nan 0.000 0.446 496 T N 4.270 118.774 114.554 -0.084 0.000 2.908 496 T HA 0.591 4.941 4.350 -0.000 0.000 0.290 496 T C -0.740 173.966 174.700 0.010 0.000 1.034 496 T CA -0.469 61.602 62.100 -0.048 0.000 1.010 496 T CB 2.394 71.201 68.868 -0.101 0.000 1.068 496 T HN 0.193 nan 8.240 nan 0.000 0.481 497 V N 2.716 122.666 119.914 0.060 0.000 2.588 497 V HA 0.492 4.612 4.120 -0.000 0.000 0.304 497 V C -0.932 175.215 176.094 0.087 0.000 1.042 497 V CA -0.863 61.502 62.300 0.108 0.000 0.877 497 V CB 2.049 33.978 31.823 0.176 0.000 0.996 497 V HN 0.847 nan 8.190 nan 0.000 0.425 498 D N 3.783 124.258 120.400 0.125 0.000 2.342 498 D HA 0.757 5.397 4.640 -0.000 0.000 0.243 498 D C -1.079 175.297 176.300 0.126 0.000 1.019 498 D CA -0.305 53.753 54.000 0.096 0.000 0.864 498 D CB 2.779 43.714 40.800 0.225 0.000 1.315 498 D HN 0.191 nan 8.370 nan 0.000 0.468 499 L N 1.026 122.238 121.223 -0.020 0.000 2.408 499 L HA 0.471 4.811 4.340 -0.000 0.000 0.268 499 L C -0.975 175.886 176.870 -0.015 0.000 0.986 499 L CA -0.545 54.346 54.840 0.085 0.000 0.820 499 L CB 1.584 43.666 42.059 0.039 0.000 1.303 499 L HN 0.232 nan 8.230 nan 0.000 0.411 500 F N 3.601 123.710 119.950 0.265 0.000 2.434 500 F HA 0.482 5.009 4.527 -0.000 0.000 0.367 500 F C -0.383 175.601 175.800 0.306 0.000 1.093 500 F CA -0.442 57.799 58.000 0.402 0.000 1.085 500 F CB 0.953 40.187 39.000 0.390 0.000 1.322 500 F HN 0.150 nan 8.300 nan 0.000 0.452 501 L N 4.018 125.506 121.223 0.442 0.000 2.288 501 L HA 0.631 4.971 4.340 -0.000 0.000 0.283 501 L C 0.144 177.288 176.870 0.456 0.000 1.072 501 L CA -0.638 54.385 54.840 0.304 0.000 0.862 501 L CB 0.657 42.804 42.059 0.146 0.000 1.245 501 L HN 0.597 nan 8.230 nan 0.000 0.432 502 A N 2.970 125.898 122.820 0.180 0.000 2.277 502 A HA 0.726 5.046 4.320 -0.000 0.000 0.318 502 A C -0.106 177.472 177.584 -0.010 0.000 1.339 502 A CA -0.316 51.738 52.037 0.029 0.000 0.875 502 A CB 1.194 19.768 19.000 -0.710 0.000 1.158 502 A HN 0.573 nan 8.150 nan 0.000 0.514 503 S N 1.505 117.314 115.700 0.182 0.000 2.597 503 S HA 0.301 4.771 4.470 -0.000 0.000 0.274 503 S C -0.093 174.618 174.600 0.186 0.000 1.132 503 S CA -0.321 57.974 58.200 0.159 0.000 0.835 503 S CB 0.833 64.087 63.200 0.090 0.000 1.092 503 S HN 0.605 nan 8.310 nan 0.000 0.457 504 E N 0.606 120.892 120.200 0.143 0.000 2.481 504 E HA 0.106 4.456 4.350 -0.000 0.000 0.195 504 E C -0.305 176.377 176.600 0.136 0.000 1.047 504 E CA 0.443 56.917 56.400 0.124 0.000 0.867 504 E CB 0.145 29.895 29.700 0.085 0.000 0.858 504 E HN 0.541 nan 8.360 nan 0.000 0.513 505 D N -0.575 119.910 120.400 0.141 0.000 2.392 505 D HA 0.055 4.695 4.640 -0.000 0.000 0.246 505 D C -0.477 175.936 176.300 0.189 0.000 1.013 505 D CA -0.735 53.356 54.000 0.152 0.000 0.993 505 D CB 0.638 41.508 40.800 0.117 0.000 1.219 505 D HN -0.110 nan 8.370 nan 0.000 0.538 506 Y N 0.885 121.217 120.300 0.053 0.000 2.811 506 Y HA -0.121 4.429 4.550 -0.000 0.000 0.334 506 Y C 0.946 176.840 175.900 -0.010 0.000 1.247 506 Y CA 0.768 58.877 58.100 0.014 0.000 1.526 506 Y CB 0.394 38.856 38.460 0.003 0.000 1.284 506 Y HN 0.213 nan 8.280 nan 0.000 0.586 507 M N 2.678 121.893 119.600 -0.642 0.000 2.249 507 M HA 0.077 4.557 4.480 -0.000 0.000 0.318 507 M C 0.037 175.860 176.300 -0.795 0.000 0.930 507 M CA 0.389 55.376 55.300 -0.523 0.000 1.080 507 M CB -0.337 32.050 32.600 -0.355 0.000 1.797 507 M HN 0.784 nan 8.290 nan 0.000 0.619 508 D N 1.503 121.010 120.400 -1.489 0.000 2.760 508 D HA -0.119 4.521 4.640 -0.000 0.000 0.244 508 D C 0.686 176.640 176.300 -0.577 0.000 1.123 508 D CA 0.127 53.491 54.000 -1.060 0.000 0.719 508 D CB -0.918 39.529 40.800 -0.588 0.000 1.045 508 D HN 0.112 nan 8.370 nan 0.000 0.426 509 V N 0.769 120.324 119.914 -0.597 0.000 2.392 509 V HA -0.279 3.841 4.120 -0.000 0.000 0.249 509 V C 2.809 178.712 176.094 -0.318 0.000 1.059 509 V CA 2.446 64.455 62.300 -0.485 0.000 1.051 509 V CB -0.792 30.650 31.823 -0.635 0.000 0.658 509 V HN 0.630 nan 8.190 nan 0.000 0.455 510 A N 0.949 123.618 122.820 -0.251 0.000 1.884 510 A HA -0.297 4.023 4.320 -0.000 0.000 0.219 510 A C 2.517 180.018 177.584 -0.137 0.000 1.197 510 A CA 3.000 54.949 52.037 -0.146 0.000 0.637 510 A CB -0.865 18.093 19.000 -0.069 0.000 0.827 510 A HN 0.730 nan 8.150 nan 0.000 0.450 511 S N -0.976 114.621 115.700 -0.172 0.000 2.478 511 S HA 0.177 4.647 4.470 -0.000 0.000 0.222 511 S C 1.723 176.137 174.600 -0.309 0.000 1.008 511 S CA 0.778 58.871 58.200 -0.177 0.000 0.928 511 S CB -0.369 62.743 63.200 -0.146 0.000 0.781 511 S HN 0.422 nan 8.310 nan 0.000 0.518 512 L N 1.450 122.445 121.223 -0.379 0.000 2.240 512 L HA 0.046 4.386 4.340 -0.000 0.000 0.211 512 L C 2.580 179.336 176.870 -0.189 0.000 1.106 512 L CA 0.788 55.397 54.840 -0.385 0.000 0.793 512 L CB -0.843 41.017 42.059 -0.332 0.000 0.927 512 L HN 0.336 nan 8.230 nan 0.000 0.446 513 S N 0.444 116.033 115.700 -0.185 0.000 2.387 513 S HA -0.187 4.283 4.470 -0.000 0.000 0.230 513 S C 1.650 176.165 174.600 -0.141 0.000 1.035 513 S CA 1.261 59.358 58.200 -0.173 0.000 1.014 513 S CB -0.434 62.659 63.200 -0.179 0.000 0.836 513 S HN 0.497 nan 8.310 nan 0.000 0.466 514 N N 1.508 120.188 118.700 -0.033 0.000 2.247 514 N HA -0.102 4.638 4.740 -0.000 0.000 0.189 514 N C 1.577 177.208 175.510 0.203 0.000 1.009 514 N CA 0.911 54.056 53.050 0.158 0.000 0.872 514 N CB -0.453 38.179 38.487 0.241 0.000 0.980 514 N HN 0.404 nan 8.380 nan 0.000 0.436 515 L N 0.851 122.144 121.223 0.117 0.000 1.976 515 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 515 L C 2.642 179.554 176.870 0.070 0.000 1.071 515 L CA 1.570 56.503 54.840 0.155 0.000 0.746 515 L CB -0.570 41.589 42.059 0.166 0.000 0.890 515 L HN 0.250 nan 8.230 nan 0.000 0.432 516 S N -0.448 115.226 115.700 -0.045 0.000 2.387 516 S HA -0.216 4.254 4.470 -0.000 0.000 0.226 516 S C 2.025 176.455 174.600 -0.283 0.000 1.026 516 S CA 0.836 58.970 58.200 -0.109 0.000 0.972 516 S CB -0.473 62.645 63.200 -0.137 0.000 0.814 516 S HN 0.341 nan 8.310 nan 0.000 0.477 517 R N 0.573 120.758 120.500 -0.526 0.000 2.127 517 R HA -0.027 4.313 4.340 -0.000 0.000 0.238 517 R C 0.766 176.565 176.300 -0.835 0.000 1.134 517 R CA 1.586 57.078 56.100 -1.013 0.000 0.975 517 R CB -0.323 29.345 30.300 -1.053 0.000 0.865 517 R HN 0.534 nan 8.270 nan 0.000 0.447 518 F N -0.669 119.183 119.950 -0.164 0.000 2.653 518 F HA 0.179 4.706 4.527 -0.000 0.000 0.304 518 F C 1.104 176.924 175.800 0.034 0.000 1.092 518 F CA 0.182 58.150 58.000 -0.053 0.000 1.279 518 F CB 1.276 40.288 39.000 0.020 0.000 1.044 518 F HN 0.074 nan 8.300 nan 0.000 0.564 519 T N -3.394 111.213 114.554 0.089 0.000 3.091 519 T HA 0.576 4.926 4.350 -0.000 0.000 0.277 519 T C 1.190 175.927 174.700 0.062 0.000 0.996 519 T CA 0.316 62.454 62.100 0.063 0.000 0.897 519 T CB 0.519 69.409 68.868 0.037 0.000 1.109 519 T HN 0.216 nan 8.240 nan 0.000 0.534 520 A N -0.220 122.646 122.820 0.077 0.000 3.080 520 A HA 0.052 4.372 4.320 -0.000 0.000 0.254 520 A C 1.055 178.759 177.584 0.201 0.000 1.277 520 A CA 0.883 53.046 52.037 0.211 0.000 1.065 520 A CB -2.183 17.007 19.000 0.316 0.000 1.160 520 A HN 1.285 nan 8.150 nan 0.000 0.886 521 G N -1.823 107.037 108.800 0.100 0.000 2.543 521 G HA2 0.593 4.553 3.960 -0.000 0.000 0.267 521 G HA3 0.593 4.553 3.960 -0.000 0.000 0.267 521 G C -0.275 174.677 174.900 0.088 0.000 1.406 521 G CA 0.436 45.591 45.100 0.092 0.000 1.048 521 G HN 1.045 nan 8.290 nan 0.000 0.548 522 Q N -1.898 117.889 119.800 -0.022 0.000 2.379 522 Q HA 0.552 4.892 4.340 -0.000 0.000 0.278 522 Q C -1.167 174.584 176.000 -0.415 0.000 1.068 522 Q CA -0.451 55.244 55.803 -0.180 0.000 0.816 522 Q CB 1.991 30.572 28.738 -0.263 0.000 1.387 522 Q HN 0.432 nan 8.270 nan 0.000 0.413 523 T N 3.535 117.837 114.554 -0.420 0.000 2.756 523 T HA 0.447 4.797 4.350 -0.000 0.000 0.290 523 T C -1.082 173.330 174.700 -0.480 0.000 0.985 523 T CA -0.529 61.346 62.100 -0.376 0.000 0.955 523 T CB 0.159 68.892 68.868 -0.225 0.000 0.930 523 T HN 0.374 nan 8.240 nan 0.000 0.451 524 H N 2.422 121.342 119.070 -0.249 0.000 2.476 524 H HA 0.396 4.952 4.556 -0.000 0.000 0.328 524 H C -1.018 174.341 175.328 0.052 0.000 1.073 524 H CA -0.762 55.173 56.048 -0.188 0.000 1.229 524 H CB 1.215 30.780 29.762 -0.329 0.000 1.432 524 H HN 0.430 nan 8.280 nan 0.000 0.477 525 F N 4.037 123.889 119.950 -0.162 0.000 2.449 525 F HA 0.269 4.796 4.527 -0.000 0.000 0.342 525 F C -1.443 174.201 175.800 -0.261 0.000 1.127 525 F CA -1.488 56.448 58.000 -0.106 0.000 0.975 525 F CB 0.523 39.452 39.000 -0.118 0.000 1.146 525 F HN 0.320 nan 8.300 nan 0.000 0.444 526 Y N 6.546 126.842 120.300 -0.007 0.000 2.854 526 Y HA 0.419 4.969 4.550 -0.000 0.000 0.330 526 Y C -2.395 173.291 175.900 -0.356 0.000 1.037 526 Y CA -3.087 54.959 58.100 -0.090 0.000 1.263 526 Y CB 0.245 38.854 38.460 0.248 0.000 1.120 526 Y HN 0.430 nan 8.280 nan 0.000 0.532 527 P HA 0.107 nan 4.420 nan 0.000 0.268 527 P C 0.657 177.938 177.300 -0.031 0.000 1.205 527 P CA 0.599 63.404 63.100 -0.493 0.000 0.771 527 P CB 0.830 32.253 31.700 -0.463 0.000 0.858 528 G N 2.257 111.090 108.800 0.054 0.000 2.350 528 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.298 528 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.298 528 G C -0.279 174.683 174.900 0.104 0.000 1.037 528 G CA -0.486 44.665 45.100 0.085 0.000 1.074 528 G HN 0.452 nan 8.290 nan 0.000 0.511 529 F N 1.496 121.449 119.950 0.005 0.000 2.375 529 F HA 0.651 5.178 4.527 -0.000 0.000 0.333 529 F C 0.641 176.410 175.800 -0.051 0.000 1.104 529 F CA 0.192 58.178 58.000 -0.024 0.000 1.149 529 F CB 1.656 40.614 39.000 -0.071 0.000 1.190 529 F HN 0.910 nan 8.300 nan 0.000 0.533 530 S N 2.522 117.811 115.700 -0.685 0.000 2.635 530 S HA 0.236 4.706 4.470 -0.000 0.000 0.327 530 S C 0.102 174.388 174.600 -0.523 0.000 0.917 530 S CA -0.553 57.411 58.200 -0.393 0.000 0.827 530 S CB 0.196 63.300 63.200 -0.160 0.000 1.065 530 S HN 1.161 nan 8.310 nan 0.000 0.474 531 G N 2.237 110.798 108.800 -0.399 0.000 2.564 531 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.217 531 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.217 531 G C 0.997 175.773 174.900 -0.207 0.000 1.120 531 G CA 0.820 45.742 45.100 -0.296 0.000 0.752 531 G HN 0.810 nan 8.290 nan 0.000 0.558 532 K N -0.327 119.963 120.400 -0.183 0.000 2.281 532 K HA -0.104 4.216 4.320 -0.000 0.000 0.203 532 K C 0.635 177.159 176.600 -0.128 0.000 1.046 532 K CA 0.679 56.890 56.287 -0.126 0.000 0.938 532 K CB 0.004 32.444 32.500 -0.100 0.000 0.737 532 K HN 0.339 nan 8.250 nan 0.000 0.458 533 N N 0.477 119.072 118.700 -0.175 0.000 2.479 533 N HA 0.136 4.876 4.740 -0.000 0.000 0.261 533 N C -2.423 172.990 175.510 -0.162 0.000 0.979 533 N CA -2.242 50.717 53.050 -0.152 0.000 0.930 533 N CB 1.695 40.090 38.487 -0.153 0.000 1.172 533 N HN -0.301 nan 8.380 nan 0.000 0.499 534 P HA -0.076 nan 4.420 nan 0.000 0.224 534 P C 0.206 177.460 177.300 -0.076 0.000 1.142 534 P CA 0.921 63.966 63.100 -0.091 0.000 0.778 534 P CB 0.282 31.943 31.700 -0.065 0.000 0.764 535 N N -1.183 117.473 118.700 -0.074 0.000 2.387 535 N HA -0.053 4.687 4.740 -0.000 0.000 0.176 535 N C 1.215 176.727 175.510 0.002 0.000 1.022 535 N CA 0.713 53.750 53.050 -0.022 0.000 0.883 535 N CB -0.547 37.933 38.487 -0.010 0.000 1.019 535 N HN 0.125 nan 8.380 nan 0.000 0.435 536 D N 1.865 122.219 120.400 -0.076 0.000 2.133 536 D HA -0.149 4.491 4.640 -0.000 0.000 0.192 536 D C 2.028 178.382 176.300 0.090 0.000 1.001 536 D CA 0.851 54.814 54.000 -0.061 0.000 0.844 536 D CB -0.195 40.276 40.800 -0.549 0.000 0.944 536 D HN 0.299 nan 8.370 nan 0.000 0.447 537 I N 0.840 121.380 120.570 -0.050 0.000 2.208 537 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 537 I C 2.516 178.688 176.117 0.092 0.000 1.097 537 I CA 0.707 62.063 61.300 0.093 0.000 1.363 537 I CB -0.298 37.696 38.000 -0.010 0.000 1.051 537 I HN -0.093 nan 8.210 nan 0.000 0.413 538 V N 0.928 120.831 119.914 -0.018 0.000 2.307 538 V HA -0.290 3.830 4.120 -0.000 0.000 0.245 538 V C 2.477 178.368 176.094 -0.339 0.000 1.045 538 V CA 2.048 64.243 62.300 -0.175 0.000 1.024 538 V CB -0.891 30.800 31.823 -0.219 0.000 0.651 538 V HN 0.411 nan 8.190 nan 0.000 0.449 539 K N 0.165 120.488 120.400 -0.128 0.000 1.965 539 K HA -0.237 4.083 4.320 -0.000 0.000 0.218 539 K C 2.182 178.904 176.600 0.204 0.000 1.048 539 K CA 2.136 58.478 56.287 0.092 0.000 0.960 539 K CB -0.544 32.270 32.500 0.523 0.000 0.732 539 K HN 0.250 nan 8.250 nan 0.000 0.444 540 F N 1.484 121.549 119.950 0.192 0.000 2.045 540 F HA -0.348 4.179 4.527 -0.000 0.000 0.297 540 F C 2.647 178.420 175.800 -0.045 0.000 1.114 540 F CA 2.462 60.419 58.000 -0.071 0.000 1.207 540 F CB -1.000 37.837 39.000 -0.273 0.000 0.964 540 F HN 0.244 nan 8.300 nan 0.000 0.486 541 S N -1.132 114.664 115.700 0.160 0.000 2.383 541 S HA -0.220 4.249 4.470 -0.000 0.000 0.229 541 S C 1.997 176.580 174.600 -0.028 0.000 1.030 541 S CA 2.086 60.327 58.200 0.068 0.000 1.002 541 S CB -0.714 62.543 63.200 0.096 0.000 0.829 541 S HN 0.604 nan 8.310 nan 0.000 0.467 542 T N 1.658 116.167 114.554 -0.075 0.000 2.770 542 T HA 0.006 4.356 4.350 -0.000 0.000 0.263 542 T C 1.706 176.418 174.700 0.020 0.000 1.039 542 T CA 1.293 63.355 62.100 -0.064 0.000 1.142 542 T CB -0.290 68.454 68.868 -0.207 0.000 0.868 542 T HN 0.531 nan 8.240 nan 0.000 0.435 543 E N 0.297 120.528 120.200 0.052 0.000 2.031 543 E HA -0.109 4.240 4.350 -0.000 0.000 0.193 543 E C 1.912 178.545 176.600 0.055 0.000 0.994 543 E CA 1.029 57.493 56.400 0.107 0.000 0.800 543 E CB -0.288 29.538 29.700 0.211 0.000 0.752 543 E HN 0.392 nan 8.360 nan 0.000 0.447 544 F N 1.545 121.292 119.950 -0.338 0.000 2.154 544 F HA -0.249 4.278 4.527 -0.000 0.000 0.301 544 F C 2.159 177.849 175.800 -0.183 0.000 1.087 544 F CA 1.439 59.111 58.000 -0.546 0.000 1.274 544 F CB -0.361 38.004 39.000 -1.058 0.000 1.009 544 F HN -0.046 nan 8.300 nan 0.000 0.485 545 A N 0.471 123.238 122.820 -0.089 0.000 1.858 545 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 545 A C 2.328 179.882 177.584 -0.050 0.000 1.190 545 A CA 1.807 53.796 52.037 -0.080 0.000 0.617 545 A CB -0.668 18.329 19.000 -0.006 0.000 0.827 545 A HN 0.361 nan 8.150 nan 0.000 0.443 546 K N -1.188 119.231 120.400 0.032 0.000 2.063 546 K HA -0.224 4.096 4.320 -0.000 0.000 0.208 546 K C 2.015 178.652 176.600 0.061 0.000 1.048 546 K CA 1.814 58.158 56.287 0.094 0.000 0.928 546 K CB -0.486 32.097 32.500 0.138 0.000 0.713 546 K HN 0.744 nan 8.250 nan 0.000 0.442 547 H N 1.792 120.852 119.070 -0.017 0.000 2.387 547 H HA -0.072 4.484 4.556 -0.000 0.000 0.299 547 H C 1.905 177.245 175.328 0.019 0.000 1.090 547 H CA 1.899 57.977 56.048 0.051 0.000 1.332 547 H CB -0.144 29.761 29.762 0.238 0.000 1.386 547 H HN 0.319 nan 8.280 nan 0.000 0.516 548 I N -1.303 119.167 120.570 -0.167 0.000 3.059 548 I HA -0.007 4.163 4.170 -0.000 0.000 0.270 548 I C 1.868 177.925 176.117 -0.100 0.000 1.238 548 I CA 1.114 62.326 61.300 -0.147 0.000 1.478 548 I CB -0.222 37.640 38.000 -0.229 0.000 1.097 548 I HN 0.266 nan 8.210 nan 0.000 0.455 549 S N 0.476 116.134 115.700 -0.070 0.000 2.528 549 S HA 0.150 4.620 4.470 -0.000 0.000 0.219 549 S C 1.087 175.654 174.600 -0.055 0.000 0.985 549 S CA -0.378 57.828 58.200 0.009 0.000 0.914 549 S CB -0.264 63.027 63.200 0.152 0.000 0.776 549 S HN 0.492 nan 8.310 nan 0.000 0.526 550 M N 2.456 121.951 119.600 -0.176 0.000 2.248 550 M HA 0.170 4.650 4.480 -0.000 0.000 0.337 550 M C -0.916 175.253 176.300 -0.219 0.000 1.121 550 M CA 0.259 55.374 55.300 -0.309 0.000 1.155 550 M CB 0.396 32.864 32.600 -0.220 0.000 1.514 550 M HN 0.123 nan 8.290 nan 0.000 0.452 551 D N 2.656 122.910 120.400 -0.243 0.000 2.423 551 D HA 0.660 5.300 4.640 -0.000 0.000 0.255 551 D C -1.158 175.030 176.300 -0.186 0.000 1.174 551 D CA 0.401 54.251 54.000 -0.251 0.000 1.008 551 D CB 0.786 41.494 40.800 -0.154 0.000 1.101 551 D HN 0.445 nan 8.370 nan 0.000 0.516 552 F N -2.099 117.769 119.950 -0.137 0.000 2.746 552 F HA 0.468 4.995 4.527 -0.000 0.000 0.311 552 F C -1.510 174.217 175.800 -0.123 0.000 1.135 552 F CA -1.757 56.139 58.000 -0.173 0.000 0.954 552 F CB -0.218 38.709 39.000 -0.123 0.000 1.276 552 F HN 0.333 nan 8.300 nan 0.000 0.440 553 C N 1.780 121.224 119.300 0.240 0.000 2.328 553 C HA 0.904 5.364 4.460 -0.000 0.000 0.378 553 C C -0.053 175.071 174.990 0.223 0.000 1.249 553 C CA -0.703 58.428 59.018 0.188 0.000 2.204 553 C CB 1.342 29.142 27.740 0.101 0.000 2.218 553 C HN 0.862 nan 8.230 nan 0.000 0.564 554 M N 0.005 119.695 119.600 0.150 0.000 2.550 554 M HA 0.350 4.830 4.480 -0.000 0.000 0.292 554 M C -0.146 176.198 176.300 0.074 0.000 1.221 554 M CA -0.151 55.203 55.300 0.091 0.000 0.873 554 M CB 1.454 34.112 32.600 0.098 0.000 1.727 554 M HN 0.840 nan 8.290 nan 0.000 0.459 555 E N -0.772 119.460 120.200 0.053 0.000 2.440 555 E HA -0.153 4.197 4.350 -0.000 0.000 0.246 555 E C -0.918 175.732 176.600 0.083 0.000 1.165 555 E CA 0.423 56.856 56.400 0.055 0.000 0.726 555 E CB -1.551 28.175 29.700 0.044 0.000 1.271 555 E HN 0.685 nan 8.360 nan 0.000 0.397 556 T N 0.421 115.044 114.554 0.114 0.000 2.845 556 T HA 0.444 4.794 4.350 -0.000 0.000 0.288 556 T C -0.103 174.711 174.700 0.190 0.000 0.980 556 T CA -0.449 61.723 62.100 0.120 0.000 1.071 556 T CB 2.057 70.965 68.868 0.067 0.000 0.941 556 T HN 0.024 nan 8.240 nan 0.000 0.487 557 V N 4.640 124.638 119.914 0.140 0.000 2.588 557 V HA 0.579 4.699 4.120 -0.000 0.000 0.304 557 V C -0.487 175.676 176.094 0.116 0.000 1.042 557 V CA -0.901 61.492 62.300 0.156 0.000 0.877 557 V CB 1.816 33.694 31.823 0.092 0.000 0.996 557 V HN 0.908 nan 8.190 nan 0.000 0.425 558 M N 7.121 126.815 119.600 0.157 0.000 2.364 558 M HA 0.709 5.189 4.480 -0.000 0.000 0.334 558 M C -0.826 175.535 176.300 0.102 0.000 1.107 558 M CA -0.484 54.875 55.300 0.099 0.000 0.988 558 M CB 1.243 33.899 32.600 0.093 0.000 1.673 558 M HN 0.723 nan 8.290 nan 0.000 0.441 559 R N 3.537 124.111 120.500 0.124 0.000 2.698 559 R HA 0.845 5.185 4.340 -0.000 0.000 0.275 559 R C -2.237 174.194 176.300 0.218 0.000 1.001 559 R CA -0.542 55.637 56.100 0.132 0.000 0.896 559 R CB 2.248 32.593 30.300 0.074 0.000 1.218 559 R HN 0.824 nan 8.270 nan 0.000 0.462 560 A N 3.833 126.822 122.820 0.281 0.000 2.343 560 A HA 0.637 4.957 4.320 -0.000 0.000 0.316 560 A C -0.974 176.729 177.584 0.197 0.000 1.104 560 A CA -0.790 51.428 52.037 0.303 0.000 0.768 560 A CB 1.325 20.646 19.000 0.536 0.000 1.213 560 A HN 0.767 nan 8.150 nan 0.000 0.456 561 R N 1.061 121.647 120.500 0.144 0.000 2.445 561 R HA 0.576 4.916 4.340 -0.000 0.000 0.308 561 R C 0.136 176.572 176.300 0.227 0.000 0.961 561 R CA -0.258 55.896 56.100 0.091 0.000 0.862 561 R CB 2.249 32.483 30.300 -0.110 0.000 1.144 561 R HN 0.863 nan 8.270 nan 0.000 0.447 562 G N 0.726 109.683 108.800 0.263 0.000 2.400 562 G HA2 0.288 4.248 3.960 -0.000 0.000 0.333 562 G HA3 0.288 4.248 3.960 -0.000 0.000 0.333 562 G C -0.073 175.096 174.900 0.449 0.000 1.143 562 G CA -0.511 44.801 45.100 0.353 0.000 0.914 562 G HN 0.606 nan 8.290 nan 0.000 0.480 563 S N 0.403 116.369 115.700 0.445 0.000 2.598 563 S HA 0.197 4.667 4.470 -0.000 0.000 0.256 563 S C 0.692 175.431 174.600 0.231 0.000 1.350 563 S CA 0.046 58.449 58.200 0.338 0.000 0.984 563 S CB 0.217 63.550 63.200 0.223 0.000 0.930 563 S HN 0.589 nan 8.310 nan 0.000 0.577 564 T N 1.646 116.307 114.554 0.178 0.000 2.831 564 T HA 0.459 4.809 4.350 -0.000 0.000 0.291 564 T C 1.461 176.224 174.700 0.104 0.000 0.981 564 T CA 0.901 63.077 62.100 0.126 0.000 1.174 564 T CB -0.368 68.558 68.868 0.096 0.000 0.929 564 T HN 1.544 nan 8.240 nan 0.000 0.532 565 G N 2.920 111.777 108.800 0.096 0.000 2.254 565 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.225 565 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.225 565 G C 0.044 175.007 174.900 0.105 0.000 1.003 565 G CA -0.565 44.585 45.100 0.083 0.000 0.622 565 G HN 0.651 nan 8.290 nan 0.000 0.507 566 L N 0.888 122.189 121.223 0.132 0.000 2.307 566 L HA 0.747 5.087 4.340 -0.000 0.000 0.282 566 L C 0.611 177.547 176.870 0.110 0.000 1.051 566 L CA -0.736 54.193 54.840 0.148 0.000 0.804 566 L CB 1.664 43.834 42.059 0.185 0.000 1.197 566 L HN 0.239 nan 8.230 nan 0.000 0.431 567 R N 3.540 124.081 120.500 0.068 0.000 2.574 567 R HA 0.451 4.790 4.340 -0.000 0.000 0.288 567 R C -1.191 175.098 176.300 -0.018 0.000 1.004 567 R CA -0.888 55.237 56.100 0.042 0.000 0.895 567 R CB 1.708 32.034 30.300 0.043 0.000 1.191 567 R HN 0.461 nan 8.270 nan 0.000 0.444 568 M N 3.217 122.807 119.600 -0.018 0.000 2.146 568 M HA 0.136 4.616 4.480 -0.000 0.000 0.352 568 M C 0.979 177.169 176.300 -0.183 0.000 1.343 568 M CA 0.192 55.408 55.300 -0.141 0.000 1.115 568 M CB 0.797 33.358 32.600 -0.065 0.000 1.657 568 M HN 0.743 nan 8.290 nan 0.000 0.471 569 S N 4.074 119.601 115.700 -0.288 0.000 2.655 569 S HA 0.307 4.777 4.470 -0.000 0.000 0.231 569 S C 0.735 175.153 174.600 -0.304 0.000 1.044 569 S CA -0.190 57.896 58.200 -0.189 0.000 0.910 569 S CB 0.501 63.653 63.200 -0.079 0.000 0.833 569 S HN 0.686 nan 8.310 nan 0.000 0.581 570 R N 0.141 120.368 120.500 -0.456 0.000 2.778 570 R HA 0.656 4.996 4.340 -0.000 0.000 0.277 570 R C -1.874 173.935 176.300 -0.818 0.000 0.977 570 R CA -0.557 55.278 56.100 -0.442 0.000 0.950 570 R CB 1.268 31.449 30.300 -0.198 0.000 1.165 570 R HN 0.276 nan 8.270 nan 0.000 0.474 571 F N 1.552 121.329 119.950 -0.289 0.000 2.539 571 F HA 0.386 4.913 4.527 -0.000 0.000 0.328 571 F C -0.790 175.018 175.800 0.014 0.000 1.148 571 F CA -0.824 57.157 58.000 -0.031 0.000 0.940 571 F CB 1.040 39.974 39.000 -0.110 0.000 1.194 571 F HN 0.324 nan 8.300 nan 0.000 0.438 572 Y N 1.080 121.702 120.300 0.537 0.000 2.420 572 Y HA 0.836 5.386 4.550 -0.000 0.000 0.334 572 Y C 0.672 176.834 175.900 0.437 0.000 1.094 572 Y CA -0.944 57.340 58.100 0.306 0.000 1.126 572 Y CB 2.111 40.641 38.460 0.116 0.000 1.217 572 Y HN 0.858 nan 8.280 nan 0.000 0.462 573 G N 0.447 109.378 108.800 0.218 0.000 2.359 573 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.303 573 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.303 573 G C -1.967 172.810 174.900 -0.204 0.000 1.293 573 G CA -1.241 44.007 45.100 0.247 0.000 0.964 573 G HN 0.754 nan 8.290 nan 0.000 0.531 574 H N 0.206 119.259 119.070 -0.028 0.000 2.640 574 H HA 0.606 5.162 4.556 -0.000 0.000 0.297 574 H C 0.192 175.441 175.328 -0.133 0.000 1.073 574 H CA 0.124 56.047 56.048 -0.208 0.000 1.305 574 H CB 0.392 30.149 29.762 -0.007 0.000 1.404 574 H HN 0.683 nan 8.280 nan 0.000 0.459 575 F N 0.889 120.782 119.950 -0.095 0.000 3.548 575 F HA 0.287 4.814 4.527 -0.000 0.000 0.326 575 F C -2.379 173.339 175.800 -0.138 0.000 1.036 575 F CA -1.599 56.170 58.000 -0.386 0.000 0.820 575 F CB 0.796 39.097 39.000 -1.165 0.000 1.590 575 F HN 0.205 nan 8.300 nan 0.000 0.460 576 F N 2.881 122.875 119.950 0.074 0.000 2.449 576 F HA 0.618 5.145 4.527 -0.000 0.000 0.342 576 F C -0.816 175.045 175.800 0.101 0.000 1.127 576 F CA -0.483 57.566 58.000 0.082 0.000 0.975 576 F CB 0.950 39.944 39.000 -0.010 0.000 1.146 576 F HN 0.697 nan 8.300 nan 0.000 0.444 577 N N 6.133 124.598 118.700 -0.391 0.000 2.503 577 N HA 0.349 5.089 4.740 -0.000 0.000 0.287 577 N C -0.800 174.440 175.510 -0.450 0.000 1.096 577 N CA -0.387 52.464 53.050 -0.332 0.000 0.936 577 N CB 1.727 40.153 38.487 -0.103 0.000 1.570 577 N HN 0.894 nan 8.380 nan 0.000 0.504 578 R N 0.489 120.751 120.500 -0.396 0.000 2.612 578 R HA 0.126 4.466 4.340 -0.000 0.000 0.260 578 R C -0.185 176.009 176.300 -0.176 0.000 0.943 578 R CA 0.060 55.986 56.100 -0.289 0.000 1.036 578 R CB 0.510 30.629 30.300 -0.302 0.000 1.520 578 R HN 0.606 nan 8.270 nan 0.000 0.563 579 S N 1.070 116.660 115.700 -0.182 0.000 2.474 579 S HA 0.251 4.721 4.470 -0.000 0.000 0.320 579 S C 0.089 174.566 174.600 -0.205 0.000 1.067 579 S CA -0.569 57.546 58.200 -0.142 0.000 1.127 579 S CB 1.655 64.792 63.200 -0.104 0.000 0.971 579 S HN 0.147 nan 8.310 nan 0.000 0.472 580 S N 2.395 118.016 115.700 -0.133 0.000 2.536 580 S HA -0.068 4.402 4.470 -0.000 0.000 0.294 580 S C 0.787 175.261 174.600 -0.209 0.000 1.289 580 S CA 1.068 59.213 58.200 -0.092 0.000 1.035 580 S CB -0.384 62.851 63.200 0.059 0.000 0.783 580 S HN 0.880 nan 8.310 nan 0.000 0.497 581 D N -0.945 119.312 120.400 -0.240 0.000 2.705 581 D HA -0.199 4.441 4.640 -0.000 0.000 0.187 581 D C -0.501 175.550 176.300 -0.415 0.000 1.015 581 D CA 1.551 55.441 54.000 -0.184 0.000 1.030 581 D CB -0.792 39.990 40.800 -0.031 0.000 1.100 581 D HN 0.477 nan 8.370 nan 0.000 0.439 582 L N 1.182 122.056 121.223 -0.581 0.000 2.441 582 L HA 0.410 4.750 4.340 -0.000 0.000 0.270 582 L C -0.952 175.622 176.870 -0.493 0.000 0.973 582 L CA -0.472 54.119 54.840 -0.414 0.000 0.842 582 L CB 1.759 43.697 42.059 -0.201 0.000 1.239 582 L HN 0.082 nan 8.230 nan 0.000 0.406 583 C N 3.974 122.998 119.300 -0.460 0.000 2.329 583 C HA 0.895 5.355 4.460 -0.000 0.000 0.329 583 C C 0.535 175.383 174.990 -0.237 0.000 1.275 583 C CA -0.842 57.856 59.018 -0.535 0.000 1.726 583 C CB 0.568 27.652 27.740 -1.092 0.000 2.291 583 C HN 0.915 nan 8.230 nan 0.000 0.514 584 A N 2.801 125.533 122.820 -0.148 0.000 2.288 584 A HA 0.840 5.160 4.320 -0.000 0.000 0.320 584 A C -0.990 176.542 177.584 -0.087 0.000 1.217 584 A CA -0.246 51.803 52.037 0.019 0.000 0.840 584 A CB 0.183 19.255 19.000 0.120 0.000 1.179 584 A HN 0.726 nan 8.150 nan 0.000 0.504 585 F N 2.220 122.199 119.950 0.050 0.000 2.366 585 F HA 0.275 4.802 4.527 -0.000 0.000 0.366 585 F C 1.457 177.264 175.800 0.012 0.000 1.096 585 F CA -0.293 57.742 58.000 0.058 0.000 1.060 585 F CB 1.686 40.707 39.000 0.035 0.000 1.282 585 F HN 0.579 nan 8.300 nan 0.000 0.450 586 S N 0.683 116.446 115.700 0.105 0.000 2.402 586 S HA -0.126 4.344 4.470 -0.000 0.000 0.233 586 S C 0.960 175.557 174.600 -0.005 0.000 1.030 586 S CA 1.767 59.972 58.200 0.008 0.000 1.003 586 S CB -0.258 62.904 63.200 -0.063 0.000 0.813 586 S HN 0.781 nan 8.310 nan 0.000 0.477 587 T N -1.738 112.829 114.554 0.023 0.000 2.889 587 T HA 0.623 4.973 4.350 -0.000 0.000 0.315 587 T C -1.039 173.719 174.700 0.096 0.000 1.291 587 T CA -0.884 61.176 62.100 -0.066 0.000 1.028 587 T CB 1.713 70.310 68.868 -0.451 0.000 1.235 587 T HN 0.066 nan 8.240 nan 0.000 0.491 588 M N 3.088 122.731 119.600 0.070 0.000 2.134 588 M HA 0.494 4.973 4.480 -0.000 0.000 0.310 588 M C -2.692 173.644 176.300 0.061 0.000 0.966 588 M CA -2.098 53.243 55.300 0.068 0.000 0.922 588 M CB 1.924 34.461 32.600 -0.105 0.000 1.537 588 M HN 0.459 nan 8.290 nan 0.000 0.424 589 P HA 0.231 nan 4.420 nan 0.000 0.296 589 P C -0.382 176.923 177.300 0.009 0.000 1.295 589 P CA -0.080 63.087 63.100 0.112 0.000 0.754 589 P CB 0.544 32.357 31.700 0.188 0.000 1.311 590 R N -0.659 119.844 120.500 0.004 0.000 2.541 590 R HA 0.116 4.456 4.340 -0.000 0.000 0.332 590 R C -0.036 176.279 176.300 0.026 0.000 0.951 590 R CA 0.349 56.434 56.100 -0.024 0.000 1.136 590 R CB -0.369 29.870 30.300 -0.101 0.000 1.449 590 R HN 0.543 nan 8.270 nan 0.000 0.531 591 D N -0.176 120.248 120.400 0.040 0.000 2.670 591 D HA 0.131 4.771 4.640 -0.000 0.000 0.255 591 D C -0.028 176.259 176.300 -0.021 0.000 1.286 591 D CA -0.132 53.879 54.000 0.018 0.000 0.830 591 D CB 0.562 41.384 40.800 0.037 0.000 1.065 591 D HN -0.008 nan 8.370 nan 0.000 0.486 592 Q N -0.351 119.414 119.800 -0.058 0.000 2.528 592 Q HA 0.562 4.902 4.340 -0.000 0.000 0.289 592 Q C -1.263 174.454 176.000 -0.473 0.000 1.091 592 Q CA -0.975 54.694 55.803 -0.223 0.000 0.797 592 Q CB 2.528 31.165 28.738 -0.168 0.000 1.466 592 Q HN 0.057 nan 8.270 nan 0.000 0.436 593 S N -0.240 115.079 115.700 -0.636 0.000 2.568 593 S HA 0.751 5.221 4.470 -0.000 0.000 0.293 593 S C -1.805 172.299 174.600 -0.826 0.000 1.089 593 S CA -0.300 57.516 58.200 -0.640 0.000 0.945 593 S CB 0.724 63.770 63.200 -0.256 0.000 1.077 593 S HN 0.468 nan 8.310 nan 0.000 0.485 594 Y N 1.137 121.495 120.300 0.097 0.000 2.633 594 Y HA 0.787 5.337 4.550 -0.000 0.000 0.339 594 Y C -0.601 175.361 175.900 0.103 0.000 1.045 594 Y CA -1.157 57.057 58.100 0.191 0.000 1.098 594 Y CB 1.643 40.258 38.460 0.259 0.000 1.296 594 Y HN 0.619 nan 8.280 nan 0.000 0.494 595 L N 1.534 123.011 121.223 0.422 0.000 2.464 595 L HA 0.642 4.982 4.340 -0.000 0.000 0.266 595 L C -2.230 175.020 176.870 0.634 0.000 0.965 595 L CA -0.414 54.621 54.840 0.324 0.000 0.833 595 L CB 1.218 43.400 42.059 0.204 0.000 1.296 595 L HN 0.411 nan 8.230 nan 0.000 0.405 596 F N 2.859 122.903 119.950 0.156 0.000 2.449 596 F HA 0.459 4.986 4.527 -0.000 0.000 0.342 596 F C 0.316 176.086 175.800 -0.050 0.000 1.127 596 F CA -0.990 56.991 58.000 -0.031 0.000 0.975 596 F CB 1.755 40.712 39.000 -0.071 0.000 1.146 596 F HN 0.530 nan 8.300 nan 0.000 0.444 597 E N 2.687 122.942 120.200 0.092 0.000 2.313 597 E HA 0.535 4.885 4.350 -0.000 0.000 0.276 597 E C -1.429 175.110 176.600 -0.103 0.000 1.031 597 E CA -0.306 56.185 56.400 0.152 0.000 0.857 597 E CB 1.222 31.070 29.700 0.248 0.000 1.040 597 E HN 0.391 nan 8.360 nan 0.000 0.408 598 V N 4.353 124.131 119.914 -0.228 0.000 2.628 598 V HA 0.364 4.484 4.120 -0.000 0.000 0.306 598 V C -0.348 175.656 176.094 -0.151 0.000 1.045 598 V CA -1.089 60.986 62.300 -0.374 0.000 0.905 598 V CB 1.946 33.184 31.823 -0.976 0.000 0.997 598 V HN 0.689 nan 8.190 nan 0.000 0.436 599 N N 1.652 120.335 118.700 -0.027 0.000 2.372 599 N HA 0.443 5.183 4.740 -0.000 0.000 0.291 599 N C -0.678 174.919 175.510 0.146 0.000 1.024 599 N CA -0.387 52.716 53.050 0.088 0.000 0.873 599 N CB 2.318 40.837 38.487 0.053 0.000 1.206 599 N HN 0.402 nan 8.380 nan 0.000 0.486 600 V N 2.986 123.014 119.914 0.190 0.000 2.174 600 V HA -0.001 4.119 4.120 -0.000 0.000 0.259 600 V C 1.297 177.442 176.094 0.086 0.000 1.261 600 V CA -0.445 61.949 62.300 0.157 0.000 1.137 600 V CB -0.394 31.502 31.823 0.122 0.000 1.290 600 V HN 0.691 nan 8.190 nan 0.000 0.486 601 D N 2.916 123.363 120.400 0.078 0.000 2.496 601 D HA -0.340 4.299 4.640 -0.000 0.000 0.613 601 D C 1.451 177.775 176.300 0.041 0.000 0.583 601 D CA 2.811 56.844 54.000 0.055 0.000 1.530 601 D CB 0.226 41.058 40.800 0.054 0.000 0.228 601 D HN 0.629 nan 8.370 nan 0.000 0.185 602 E N -1.286 118.934 120.200 0.033 0.000 2.629 602 E HA 0.167 4.517 4.350 -0.000 0.000 0.197 602 E C -0.245 176.363 176.600 0.014 0.000 0.955 602 E CA 0.446 56.859 56.400 0.022 0.000 1.191 602 E CB 0.574 30.285 29.700 0.019 0.000 1.175 602 E HN 0.414 nan 8.360 nan 0.000 0.501 603 S N -0.419 115.289 115.700 0.014 0.000 2.552 603 S HA 0.454 4.924 4.470 -0.000 0.000 0.272 603 S C -1.075 173.529 174.600 0.007 0.000 1.150 603 S CA -0.908 57.294 58.200 0.003 0.000 0.849 603 S CB 0.963 64.161 63.200 -0.004 0.000 1.113 603 S HN 0.145 nan 8.310 nan 0.000 0.458 604 I N 3.058 123.624 120.570 -0.007 0.000 2.328 604 I HA 0.253 4.423 4.170 -0.000 0.000 0.287 604 I C 1.092 177.200 176.117 -0.015 0.000 1.012 604 I CA -0.831 60.466 61.300 -0.005 0.000 1.195 604 I CB 1.457 39.444 38.000 -0.022 0.000 1.350 604 I HN 0.654 nan 8.210 nan 0.000 0.464 605 M N 3.692 123.292 119.600 0.001 0.000 2.460 605 M HA 0.068 4.547 4.480 -0.000 0.000 0.263 605 M C 1.000 177.297 176.300 -0.005 0.000 1.071 605 M CA 0.593 55.892 55.300 -0.001 0.000 1.096 605 M CB -0.929 31.677 32.600 0.011 0.000 1.408 605 M HN 0.644 nan 8.290 nan 0.000 0.463 606 A N 0.240 123.060 122.820 -0.001 0.000 2.256 606 A HA 0.307 4.627 4.320 -0.000 0.000 0.318 606 A C 0.665 178.207 177.584 -0.070 0.000 1.103 606 A CA -0.528 51.512 52.037 0.005 0.000 0.860 606 A CB 0.630 19.670 19.000 0.067 0.000 1.182 606 A HN 0.200 nan 8.150 nan 0.000 0.501 607 D N -1.221 119.120 120.400 -0.099 0.000 2.347 607 D HA 0.127 4.767 4.640 -0.000 0.000 0.213 607 D C -0.807 175.066 176.300 -0.713 0.000 0.985 607 D CA 1.430 55.211 54.000 -0.366 0.000 0.879 607 D CB 0.040 40.596 40.800 -0.406 0.000 0.919 607 D HN 0.478 nan 8.370 nan 0.000 0.526 608 Y N -0.485 119.721 120.300 -0.157 0.000 2.553 608 Y HA 0.374 4.924 4.550 -0.000 0.000 0.347 608 Y C 0.158 175.769 175.900 -0.482 0.000 1.019 608 Y CA -1.448 56.443 58.100 -0.348 0.000 1.032 608 Y CB 1.630 39.847 38.460 -0.405 0.000 1.284 608 Y HN -0.089 nan 8.280 nan 0.000 0.466 609 C N -0.249 118.729 119.300 -0.537 0.000 2.889 609 C HA 0.925 5.385 4.460 -0.000 0.000 0.307 609 C C -1.518 172.985 174.990 -0.811 0.000 1.251 609 C CA -1.245 57.496 59.018 -0.463 0.000 1.593 609 C CB 0.562 28.211 27.740 -0.152 0.000 2.104 609 C HN 0.730 nan 8.230 nan 0.000 0.476 610 Y N -0.234 119.980 120.300 -0.144 0.000 2.605 610 Y HA 0.820 5.369 4.550 -0.000 0.000 0.343 610 Y C -0.208 175.749 175.900 0.095 0.000 1.036 610 Y CA -1.297 56.690 58.100 -0.189 0.000 1.065 610 Y CB 1.726 39.809 38.460 -0.628 0.000 1.288 610 Y HN 0.634 nan 8.280 nan 0.000 0.481 611 V N 1.664 121.814 119.914 0.394 0.000 2.686 611 V HA 0.416 4.536 4.120 -0.000 0.000 0.306 611 V C -1.195 175.195 176.094 0.494 0.000 1.065 611 V CA -0.746 61.820 62.300 0.444 0.000 0.894 611 V CB 2.007 33.981 31.823 0.251 0.000 1.004 611 V HN 0.791 nan 8.190 nan 0.000 0.424 612 Q N 3.215 123.279 119.800 0.441 0.000 2.330 612 Q HA 0.707 5.047 4.340 -0.000 0.000 0.269 612 Q C -1.756 174.338 176.000 0.157 0.000 1.022 612 Q CA -0.454 55.508 55.803 0.265 0.000 0.796 612 Q CB 2.324 31.099 28.738 0.061 0.000 1.271 612 Q HN 0.579 nan 8.270 nan 0.000 0.450 613 V N 2.411 122.399 119.914 0.123 0.000 2.427 613 V HA 0.778 4.898 4.120 -0.000 0.000 0.286 613 V C -0.429 175.677 176.094 0.020 0.000 1.034 613 V CA -0.521 61.839 62.300 0.099 0.000 0.893 613 V CB 1.323 33.186 31.823 0.067 0.000 0.982 613 V HN 0.830 nan 8.190 nan 0.000 0.452 614 A N 4.664 127.501 122.820 0.028 0.000 2.343 614 A HA 0.855 5.175 4.320 -0.000 0.000 0.316 614 A C -1.015 176.554 177.584 -0.024 0.000 1.104 614 A CA -0.535 51.468 52.037 -0.057 0.000 0.768 614 A CB 1.747 20.758 19.000 0.018 0.000 1.213 614 A HN 0.643 nan 8.150 nan 0.000 0.456 615 V N 3.626 123.494 119.914 -0.076 0.000 2.376 615 V HA 0.333 4.453 4.120 -0.000 0.000 0.287 615 V C -0.808 175.268 176.094 -0.031 0.000 1.015 615 V CA -0.471 61.800 62.300 -0.049 0.000 0.834 615 V CB 1.250 33.023 31.823 -0.082 0.000 1.001 615 V HN 0.813 nan 8.190 nan 0.000 0.428 616 L N 8.047 129.282 121.223 0.021 0.000 2.265 616 L HA 0.809 5.149 4.340 -0.000 0.000 0.288 616 L C -0.561 176.342 176.870 0.056 0.000 1.058 616 L CA 0.092 54.961 54.840 0.049 0.000 0.809 616 L CB 0.903 43.031 42.059 0.114 0.000 1.179 616 L HN 0.656 nan 8.230 nan 0.000 0.429 617 L N 1.846 123.101 121.223 0.054 0.000 2.409 617 L HA 0.768 5.108 4.340 -0.000 0.000 0.255 617 L C -0.550 176.364 176.870 0.075 0.000 1.027 617 L CA -0.618 54.265 54.840 0.071 0.000 0.834 617 L CB 2.015 44.127 42.059 0.088 0.000 1.426 617 L HN 0.315 nan 8.230 nan 0.000 0.411 618 S N 1.600 117.349 115.700 0.082 0.000 2.622 618 S HA 0.586 5.056 4.470 -0.000 0.000 0.283 618 S C -0.607 174.046 174.600 0.087 0.000 1.197 618 S CA -0.382 57.865 58.200 0.078 0.000 1.146 618 S CB 0.566 63.811 63.200 0.075 0.000 1.007 618 S HN 0.632 nan 8.310 nan 0.000 0.478 619 L N 4.279 125.548 121.223 0.076 0.000 2.467 619 L HA 0.295 4.635 4.340 -0.000 0.000 0.270 619 L C 1.144 178.048 176.870 0.058 0.000 1.205 619 L CA 0.141 55.019 54.840 0.064 0.000 0.828 619 L CB 0.428 42.516 42.059 0.048 0.000 1.101 619 L HN 0.645 nan 8.230 nan 0.000 0.479 620 N N 2.210 120.931 118.700 0.035 0.000 2.626 620 N HA -0.105 4.635 4.740 -0.000 0.000 0.226 620 N C -0.365 175.212 175.510 0.113 0.000 1.376 620 N CA 0.426 53.494 53.050 0.029 0.000 0.894 620 N CB -1.034 37.373 38.487 -0.133 0.000 1.218 620 N HN 0.751 nan 8.380 nan 0.000 0.492 621 N N -1.681 117.071 118.700 0.088 0.000 2.475 621 N HA 0.005 4.745 4.740 -0.000 0.000 0.272 621 N C -0.870 174.679 175.510 0.065 0.000 1.482 621 N CA -0.523 52.587 53.050 0.099 0.000 0.863 621 N CB -0.131 38.387 38.487 0.051 0.000 1.400 621 N HN 0.002 nan 8.380 nan 0.000 0.489 622 S N -0.025 115.713 115.700 0.063 0.000 3.641 622 S HA -0.198 4.272 4.470 -0.000 0.000 0.346 622 S C -0.546 174.082 174.600 0.048 0.000 1.074 622 S CA 0.642 58.875 58.200 0.055 0.000 1.026 622 S CB -1.480 61.751 63.200 0.052 0.000 0.908 622 S HN 0.706 nan 8.310 nan 0.000 0.479 623 Q N -0.242 119.586 119.800 0.046 0.000 2.353 623 Q HA 0.591 4.931 4.340 -0.000 0.000 0.268 623 Q C -0.196 175.833 176.000 0.048 0.000 1.045 623 Q CA -0.865 54.962 55.803 0.041 0.000 0.811 623 Q CB 1.604 30.360 28.738 0.029 0.000 1.305 623 Q HN 0.166 nan 8.270 nan 0.000 0.447 624 R N 2.080 122.609 120.500 0.048 0.000 2.198 624 R HA 0.311 4.651 4.340 -0.000 0.000 0.339 624 R C -0.768 175.549 176.300 0.029 0.000 1.020 624 R CA 0.155 56.286 56.100 0.052 0.000 0.864 624 R CB 0.479 30.823 30.300 0.073 0.000 1.105 624 R HN 0.506 nan 8.270 nan 0.000 0.463 625 R N 3.572 124.087 120.500 0.025 0.000 2.919 625 R HA 0.608 4.948 4.340 -0.000 0.000 0.260 625 R C -0.517 175.765 176.300 -0.031 0.000 1.067 625 R CA -1.021 55.081 56.100 0.004 0.000 1.003 625 R CB 1.754 32.070 30.300 0.027 0.000 1.192 625 R HN 0.439 nan 8.270 nan 0.000 0.488 626 I N 1.301 121.842 120.570 -0.050 0.000 2.500 626 I HA 0.346 4.516 4.170 -0.000 0.000 0.286 626 I C -0.583 175.496 176.117 -0.065 0.000 1.063 626 I CA -0.594 60.641 61.300 -0.109 0.000 1.062 626 I CB 2.114 39.955 38.000 -0.265 0.000 1.223 626 I HN 0.365 nan 8.210 nan 0.000 0.435 627 R N 7.009 127.442 120.500 -0.111 0.000 2.294 627 R HA 0.659 4.999 4.340 -0.000 0.000 0.319 627 R C -1.217 174.974 176.300 -0.181 0.000 0.984 627 R CA -0.490 55.527 56.100 -0.139 0.000 0.861 627 R CB 1.080 31.276 30.300 -0.173 0.000 1.104 627 R HN 0.477 nan 8.270 nan 0.000 0.451 628 I N 6.037 126.497 120.570 -0.182 0.000 2.603 628 I HA 0.424 4.593 4.170 -0.000 0.000 0.300 628 I C -0.115 175.921 176.117 -0.135 0.000 1.017 628 I CA -0.942 60.247 61.300 -0.185 0.000 1.098 628 I CB 1.921 39.806 38.000 -0.191 0.000 1.279 628 I HN 0.683 nan 8.210 nan 0.000 0.437 629 I N 3.963 124.495 120.570 -0.064 0.000 2.497 629 I HA 0.229 4.399 4.170 -0.000 0.000 0.284 629 I C -0.606 175.567 176.117 0.094 0.000 1.060 629 I CA -0.181 61.105 61.300 -0.022 0.000 1.071 629 I CB 2.171 40.167 38.000 -0.007 0.000 1.216 629 I HN 0.462 nan 8.210 nan 0.000 0.442 630 T N 6.777 121.422 114.554 0.152 0.000 2.779 630 T HA 0.600 4.950 4.350 -0.000 0.000 0.280 630 T C -0.722 174.170 174.700 0.320 0.000 0.987 630 T CA -0.428 61.859 62.100 0.312 0.000 0.966 630 T CB 1.812 70.926 68.868 0.411 0.000 0.933 630 T HN 0.257 nan 8.240 nan 0.000 0.442 631 L N 3.256 124.648 121.223 0.281 0.000 2.356 631 L HA 0.848 5.188 4.340 -0.000 0.000 0.277 631 L C -0.737 176.137 176.870 0.006 0.000 0.996 631 L CA -0.592 54.344 54.840 0.161 0.000 0.822 631 L CB 1.234 43.370 42.059 0.128 0.000 1.256 631 L HN 0.746 nan 8.230 nan 0.000 0.413 632 A N 6.341 129.016 122.820 -0.242 0.000 2.304 632 A HA 0.882 5.202 4.320 -0.000 0.000 0.323 632 A C -0.794 176.592 177.584 -0.331 0.000 1.195 632 A CA -0.530 51.153 52.037 -0.591 0.000 0.826 632 A CB 0.765 18.974 19.000 -1.317 0.000 1.184 632 A HN 0.766 nan 8.150 nan 0.000 0.496 633 M N 2.988 122.389 119.600 -0.332 0.000 2.457 633 M HA 0.401 4.881 4.480 -0.000 0.000 0.300 633 M C -2.773 173.420 176.300 -0.178 0.000 1.141 633 M CA -1.757 53.438 55.300 -0.175 0.000 0.901 633 M CB 2.770 35.295 32.600 -0.125 0.000 1.687 633 M HN 0.306 nan 8.290 nan 0.000 0.449 634 P HA 0.210 nan 4.420 nan 0.000 0.279 634 P C -0.561 176.559 177.300 -0.299 0.000 1.239 634 P CA -0.354 62.575 63.100 -0.285 0.000 0.789 634 P CB 0.716 32.298 31.700 -0.198 0.000 0.933 635 T N -0.587 113.747 114.554 -0.367 0.000 2.881 635 T HA 0.692 5.042 4.350 -0.000 0.000 0.278 635 T C -0.227 174.335 174.700 -0.231 0.000 0.982 635 T CA -0.406 61.534 62.100 -0.266 0.000 0.989 635 T CB 1.038 69.767 68.868 -0.231 0.000 1.058 635 T HN 0.467 nan 8.240 nan 0.000 0.529 636 T N -0.667 113.780 114.554 -0.178 0.000 3.003 636 T HA 0.287 4.636 4.350 -0.000 0.000 0.354 636 T C -0.730 173.904 174.700 -0.111 0.000 1.651 636 T CA -0.647 61.369 62.100 -0.140 0.000 1.103 636 T CB 1.590 70.382 68.868 -0.127 0.000 1.450 636 T HN 0.749 nan 8.240 nan 0.000 0.484 637 E N 1.321 121.468 120.200 -0.088 0.000 2.501 637 E HA 0.190 4.540 4.350 -0.000 0.000 0.201 637 E C 0.057 176.622 176.600 -0.059 0.000 1.016 637 E CA -0.198 56.160 56.400 -0.070 0.000 0.920 637 E CB 0.820 30.484 29.700 -0.060 0.000 1.023 637 E HN 0.370 nan 8.360 nan 0.000 0.474 638 S N 1.507 117.171 115.700 -0.060 0.000 2.404 638 S HA 0.113 4.583 4.470 -0.000 0.000 0.309 638 S C 0.854 175.436 174.600 -0.030 0.000 1.076 638 S CA -0.487 57.685 58.200 -0.047 0.000 1.095 638 S CB 0.621 63.794 63.200 -0.046 0.000 0.972 638 S HN 0.235 nan 8.310 nan 0.000 0.484 639 L N 6.464 127.674 121.223 -0.022 0.000 2.129 639 L HA 0.000 4.340 4.340 -0.000 0.000 0.212 639 L C 2.390 179.297 176.870 0.062 0.000 1.087 639 L CA 2.499 57.354 54.840 0.026 0.000 0.757 639 L CB -0.912 41.144 42.059 -0.006 0.000 0.896 639 L HN 0.809 nan 8.230 nan 0.000 0.434 640 A N -0.887 121.926 122.820 -0.011 0.000 1.883 640 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 640 A C 2.224 179.844 177.584 0.060 0.000 1.186 640 A CA 1.930 53.963 52.037 -0.007 0.000 0.624 640 A CB -0.633 18.340 19.000 -0.046 0.000 0.822 640 A HN 0.600 nan 8.150 nan 0.000 0.444 641 E N -0.446 119.768 120.200 0.023 0.000 2.051 641 E HA -0.123 4.227 4.350 -0.000 0.000 0.192 641 E C 2.071 178.679 176.600 0.014 0.000 0.991 641 E CA 1.261 57.669 56.400 0.013 0.000 0.799 641 E CB -0.297 29.386 29.700 -0.029 0.000 0.748 641 E HN 0.392 nan 8.360 nan 0.000 0.449 642 V N 0.744 120.662 119.914 0.007 0.000 2.231 642 V HA -0.314 3.806 4.120 -0.000 0.000 0.248 642 V C 2.040 178.110 176.094 -0.040 0.000 1.054 642 V CA 2.068 64.340 62.300 -0.047 0.000 1.015 642 V CB -0.742 31.054 31.823 -0.045 0.000 0.638 642 V HN 0.284 nan 8.190 nan 0.000 0.444 643 Y N 0.501 120.783 120.300 -0.029 0.000 2.165 643 Y HA -0.204 4.346 4.550 -0.000 0.000 0.286 643 Y C 2.514 178.433 175.900 0.032 0.000 1.155 643 Y CA 1.536 59.648 58.100 0.020 0.000 1.164 643 Y CB -0.925 37.600 38.460 0.109 0.000 0.978 643 Y HN 0.205 nan 8.280 nan 0.000 0.513 644 A N -1.461 121.472 122.820 0.188 0.000 2.076 644 A HA -0.119 4.200 4.320 -0.000 0.000 0.220 644 A C 1.780 179.399 177.584 0.060 0.000 1.160 644 A CA 1.861 53.981 52.037 0.139 0.000 0.653 644 A CB -0.532 18.548 19.000 0.133 0.000 0.801 644 A HN 0.285 nan 8.150 nan 0.000 0.455 645 S N -0.616 115.087 115.700 0.006 0.000 2.581 645 S HA 0.561 5.031 4.470 -0.000 0.000 0.245 645 S C 0.197 174.750 174.600 -0.080 0.000 1.115 645 S CA 0.061 58.240 58.200 -0.036 0.000 1.093 645 S CB 0.265 63.437 63.200 -0.048 0.000 0.853 645 S HN 0.681 nan 8.310 nan 0.000 0.479 646 A N 1.613 124.376 122.820 -0.095 0.000 2.310 646 A HA 0.489 4.809 4.320 -0.000 0.000 0.299 646 A C -0.141 177.382 177.584 -0.103 0.000 1.147 646 A CA -0.465 51.482 52.037 -0.150 0.000 0.818 646 A CB 0.380 19.236 19.000 -0.239 0.000 1.096 646 A HN 0.252 nan 8.150 nan 0.000 0.495 647 D N 2.617 122.959 120.400 -0.097 0.000 2.500 647 D HA 0.076 4.716 4.640 -0.000 0.000 0.219 647 D C 1.456 177.722 176.300 -0.057 0.000 1.137 647 D CA -0.193 53.773 54.000 -0.056 0.000 0.946 647 D CB 0.664 41.445 40.800 -0.032 0.000 1.022 647 D HN 0.681 nan 8.370 nan 0.000 0.518 648 Q N 2.489 122.262 119.800 -0.045 0.000 2.217 648 Q HA -0.197 4.142 4.340 -0.000 0.000 0.209 648 Q C 1.410 177.454 176.000 0.073 0.000 0.988 648 Q CA 1.136 56.939 55.803 -0.000 0.000 0.878 648 Q CB -0.067 28.705 28.738 0.058 0.000 0.909 648 Q HN 0.500 nan 8.270 nan 0.000 0.424 649 L N 0.428 121.676 121.223 0.042 0.000 2.044 649 L HA -0.069 4.271 4.340 -0.000 0.000 0.205 649 L C 2.769 179.675 176.870 0.059 0.000 1.075 649 L CA 0.926 55.797 54.840 0.053 0.000 0.747 649 L CB -0.826 41.243 42.059 0.018 0.000 0.903 649 L HN 0.371 nan 8.230 nan 0.000 0.435 650 A N 0.443 123.282 122.820 0.032 0.000 1.940 650 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 650 A C 2.197 179.818 177.584 0.061 0.000 1.176 650 A CA 1.539 53.599 52.037 0.040 0.000 0.631 650 A CB -0.639 18.374 19.000 0.021 0.000 0.814 650 A HN 0.355 nan 8.150 nan 0.000 0.446 651 I N -0.459 120.123 120.570 0.020 0.000 2.252 651 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 651 I C 2.952 179.214 176.117 0.241 0.000 1.102 651 I CA 0.946 62.248 61.300 0.003 0.000 1.385 651 I CB -0.318 37.563 38.000 -0.198 0.000 1.064 651 I HN 0.361 nan 8.210 nan 0.000 0.414 652 A N -0.288 122.714 122.820 0.303 0.000 1.933 652 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 652 A C 2.485 180.208 177.584 0.231 0.000 1.175 652 A CA 2.225 54.492 52.037 0.382 0.000 0.628 652 A CB -0.721 18.438 19.000 0.264 0.000 0.814 652 A HN 0.399 nan 8.150 nan 0.000 0.444 653 S N -1.693 114.094 115.700 0.145 0.000 2.368 653 S HA -0.132 4.338 4.470 -0.000 0.000 0.224 653 S C 1.746 176.370 174.600 0.040 0.000 1.029 653 S CA 1.361 59.605 58.200 0.073 0.000 0.988 653 S CB -0.524 62.704 63.200 0.048 0.000 0.838 653 S HN 0.559 nan 8.310 nan 0.000 0.462 654 F N 0.980 120.865 119.950 -0.107 0.000 2.095 654 F HA -0.130 4.397 4.527 -0.000 0.000 0.298 654 F C 1.809 177.424 175.800 -0.308 0.000 1.104 654 F CA 1.854 59.699 58.000 -0.259 0.000 1.232 654 F CB -0.460 38.314 39.000 -0.376 0.000 0.987 654 F HN 0.318 nan 8.300 nan 0.000 0.475 655 Y N -0.459 119.958 120.300 0.195 0.000 2.373 655 Y HA -0.177 4.373 4.550 -0.000 0.000 0.293 655 Y C 2.339 178.189 175.900 -0.084 0.000 1.129 655 Y CA 1.059 59.207 58.100 0.080 0.000 1.226 655 Y CB -0.639 37.938 38.460 0.195 0.000 1.000 655 Y HN 0.186 nan 8.280 nan 0.000 0.549 656 N N 0.040 118.777 118.700 0.062 0.000 2.043 656 N HA -0.195 4.545 4.740 -0.000 0.000 0.193 656 N C 1.770 177.245 175.510 -0.059 0.000 1.037 656 N CA 2.115 55.156 53.050 -0.015 0.000 0.851 656 N CB -0.358 38.132 38.487 0.006 0.000 1.027 656 N HN 0.043 nan 8.380 nan 0.000 0.422 657 S N -0.049 115.543 115.700 -0.180 0.000 2.382 657 S HA -0.048 4.422 4.470 -0.000 0.000 0.228 657 S C 1.670 176.025 174.600 -0.408 0.000 1.027 657 S CA 0.838 58.853 58.200 -0.308 0.000 0.991 657 S CB -0.204 62.685 63.200 -0.518 0.000 0.823 657 S HN 0.337 nan 8.310 nan 0.000 0.469 658 K N 1.435 121.561 120.400 -0.456 0.000 2.217 658 K HA 0.184 4.504 4.320 -0.000 0.000 0.202 658 K C 2.104 178.672 176.600 -0.052 0.000 1.051 658 K CA 0.958 57.060 56.287 -0.308 0.000 0.952 658 K CB -0.399 31.962 32.500 -0.232 0.000 0.736 658 K HN 0.385 nan 8.250 nan 0.000 0.453 659 A N 0.641 123.446 122.820 -0.025 0.000 1.943 659 A HA -0.017 4.303 4.320 -0.000 0.000 0.213 659 A C 2.308 180.064 177.584 0.285 0.000 1.181 659 A CA 0.566 52.619 52.037 0.027 0.000 0.653 659 A CB -0.257 18.548 19.000 -0.326 0.000 0.833 659 A HN 0.022 nan 8.150 nan 0.000 0.451 660 V N 0.389 120.474 119.914 0.285 0.000 2.626 660 V HA -0.216 3.904 4.120 -0.000 0.000 0.252 660 V C 2.420 178.608 176.094 0.156 0.000 1.067 660 V CA 2.096 64.552 62.300 0.260 0.000 1.081 660 V CB -0.550 31.361 31.823 0.147 0.000 0.686 660 V HN 0.693 nan 8.190 nan 0.000 0.468 661 E N 0.150 120.430 120.200 0.134 0.000 2.107 661 E HA -0.239 4.111 4.350 -0.000 0.000 0.191 661 E C 2.182 178.862 176.600 0.134 0.000 0.982 661 E CA 1.079 57.569 56.400 0.150 0.000 0.809 661 E CB 0.152 29.982 29.700 0.217 0.000 0.756 661 E HN 0.434 nan 8.360 nan 0.000 0.459 662 K N 0.558 121.043 120.400 0.140 0.000 2.031 662 K HA 0.010 4.330 4.320 -0.000 0.000 0.205 662 K C 1.850 178.533 176.600 0.137 0.000 1.049 662 K CA 1.252 57.617 56.287 0.131 0.000 0.939 662 K CB -0.386 32.191 32.500 0.128 0.000 0.717 662 K HN 0.120 nan 8.250 nan 0.000 0.438 663 A N 0.437 123.371 122.820 0.189 0.000 1.940 663 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 663 A C 2.079 179.705 177.584 0.069 0.000 1.176 663 A CA 1.555 53.677 52.037 0.141 0.000 0.631 663 A CB -0.628 18.438 19.000 0.111 0.000 0.814 663 A HN 0.303 nan 8.150 nan 0.000 0.446 664 L N -1.127 120.137 121.223 0.068 0.000 2.375 664 L HA 0.006 4.346 4.340 -0.000 0.000 0.215 664 L C 1.588 178.493 176.870 0.059 0.000 1.108 664 L CA 0.669 55.538 54.840 0.048 0.000 0.830 664 L CB -0.163 41.922 42.059 0.043 0.000 0.959 664 L HN 0.418 nan 8.230 nan 0.000 0.457 665 N N -2.280 116.463 118.700 0.071 0.000 2.317 665 N HA 0.046 4.786 4.740 -0.000 0.000 0.199 665 N C 1.091 176.638 175.510 0.060 0.000 1.145 665 N CA 0.270 53.359 53.050 0.066 0.000 0.882 665 N CB 1.206 39.736 38.487 0.072 0.000 1.113 665 N HN 0.048 nan 8.380 nan 0.000 0.486 666 S N -0.498 115.243 115.700 0.068 0.000 4.150 666 S HA 0.367 4.837 4.470 -0.000 0.000 0.193 666 S C 0.169 174.806 174.600 0.062 0.000 1.010 666 S CA -0.191 58.047 58.200 0.063 0.000 1.650 666 S CB 0.224 63.466 63.200 0.070 0.000 0.823 666 S HN 0.053 nan 8.310 nan 0.000 0.794 667 S N -0.097 115.644 115.700 0.069 0.000 2.718 667 S HA 0.575 5.045 4.470 -0.000 0.000 0.300 667 S C 0.388 175.040 174.600 0.088 0.000 1.117 667 S CA -0.582 57.658 58.200 0.067 0.000 1.002 667 S CB 1.224 64.460 63.200 0.060 0.000 1.092 667 S HN 0.478 nan 8.310 nan 0.000 0.542 668 L N 1.625 122.900 121.223 0.086 0.000 2.249 668 L HA 0.291 4.631 4.340 -0.000 0.000 0.207 668 L C 1.455 178.408 176.870 0.138 0.000 1.090 668 L CA 1.708 56.618 54.840 0.118 0.000 0.802 668 L CB -0.519 41.589 42.059 0.082 0.000 0.947 668 L HN 0.675 nan 8.230 nan 0.000 0.453 669 D N -0.735 119.722 120.400 0.095 0.000 2.249 669 D HA -0.121 4.519 4.640 -0.000 0.000 0.205 669 D C 1.326 177.669 176.300 0.073 0.000 0.962 669 D CA 0.769 54.818 54.000 0.081 0.000 0.860 669 D CB 0.166 41.002 40.800 0.060 0.000 0.955 669 D HN 0.315 nan 8.370 nan 0.000 0.505 670 D N 0.913 121.358 120.400 0.075 0.000 2.178 670 D HA -0.089 4.551 4.640 -0.000 0.000 0.201 670 D C 1.986 178.327 176.300 0.069 0.000 0.980 670 D CA 0.991 55.032 54.000 0.067 0.000 0.842 670 D CB 0.011 40.853 40.800 0.070 0.000 0.948 670 D HN 0.122 nan 8.370 nan 0.000 0.472 671 A N 0.314 123.191 122.820 0.096 0.000 1.840 671 A HA -0.101 4.219 4.320 -0.000 0.000 0.214 671 A C 2.151 179.725 177.584 -0.017 0.000 1.198 671 A CA 1.107 53.193 52.037 0.081 0.000 0.608 671 A CB -0.461 18.696 19.000 0.261 0.000 0.839 671 A HN 0.040 nan 8.150 nan 0.000 0.443 672 R N -0.704 119.818 120.500 0.037 0.000 2.117 672 R HA -0.137 4.203 4.340 -0.000 0.000 0.243 672 R C 1.965 178.255 176.300 -0.017 0.000 1.143 672 R CA 1.630 57.726 56.100 -0.007 0.000 0.968 672 R CB -0.471 29.862 30.300 0.055 0.000 0.863 672 R HN 0.374 nan 8.270 nan 0.000 0.444 673 V N 0.913 120.835 119.914 0.014 0.000 2.548 673 V HA -0.200 3.920 4.120 -0.000 0.000 0.249 673 V C 2.131 178.228 176.094 0.004 0.000 1.055 673 V CA 1.412 63.724 62.300 0.020 0.000 1.065 673 V CB -0.270 31.574 31.823 0.034 0.000 0.681 673 V HN 0.346 nan 8.190 nan 0.000 0.462 674 L N -0.401 120.819 121.223 -0.005 0.000 2.027 674 L HA -0.156 4.184 4.340 -0.000 0.000 0.206 674 L C 2.268 179.095 176.870 -0.072 0.000 1.074 674 L CA 1.827 56.663 54.840 -0.007 0.000 0.745 674 L CB -0.180 41.893 42.059 0.023 0.000 0.898 674 L HN 0.222 nan 8.230 nan 0.000 0.433 675 I N 0.064 120.561 120.570 -0.122 0.000 2.226 675 I HA -0.303 3.867 4.170 -0.000 0.000 0.245 675 I C 2.146 178.190 176.117 -0.121 0.000 1.100 675 I CA 1.135 62.329 61.300 -0.177 0.000 1.374 675 I CB -0.642 37.205 38.000 -0.256 0.000 1.057 675 I HN 0.391 nan 8.210 nan 0.000 0.413 676 N N 1.136 119.814 118.700 -0.037 0.000 2.106 676 N HA -0.196 4.544 4.740 -0.000 0.000 0.188 676 N C 1.857 177.385 175.510 0.030 0.000 1.029 676 N CA 1.150 54.240 53.050 0.067 0.000 0.848 676 N CB -0.326 38.226 38.487 0.108 0.000 1.007 676 N HN 0.362 nan 8.380 nan 0.000 0.423 677 K N 1.415 121.814 120.400 -0.001 0.000 2.103 677 K HA -0.135 4.185 4.320 -0.000 0.000 0.207 677 K C 2.130 178.713 176.600 -0.028 0.000 1.048 677 K CA 1.644 57.930 56.287 -0.001 0.000 0.930 677 K CB -0.040 32.466 32.500 0.010 0.000 0.716 677 K HN 0.222 nan 8.250 nan 0.000 0.444 678 S N -0.054 115.568 115.700 -0.129 0.000 2.370 678 S HA -0.118 4.352 4.470 -0.000 0.000 0.226 678 S C 2.032 176.656 174.600 0.039 0.000 1.033 678 S CA 1.430 59.482 58.200 -0.246 0.000 1.011 678 S CB -0.543 62.107 63.200 -0.917 0.000 0.852 678 S HN 0.141 nan 8.310 nan 0.000 0.457 679 V N 1.837 121.773 119.914 0.036 0.000 2.548 679 V HA -0.122 3.998 4.120 -0.000 0.000 0.249 679 V C 2.896 179.038 176.094 0.080 0.000 1.055 679 V CA 1.968 64.333 62.300 0.109 0.000 1.065 679 V CB -0.805 31.032 31.823 0.024 0.000 0.681 679 V HN 0.607 nan 8.190 nan 0.000 0.462 680 Q N -0.202 119.617 119.800 0.030 0.000 1.990 680 Q HA -0.226 4.114 4.340 -0.000 0.000 0.200 680 Q C 2.048 178.073 176.000 0.043 0.000 0.980 680 Q CA 1.984 57.791 55.803 0.006 0.000 0.832 680 Q CB -0.161 28.576 28.738 -0.001 0.000 0.897 680 Q HN 0.575 nan 8.270 nan 0.000 0.427 681 D N 0.374 120.809 120.400 0.058 0.000 2.158 681 D HA -0.181 4.459 4.640 -0.000 0.000 0.197 681 D C 1.940 178.311 176.300 0.119 0.000 0.995 681 D CA 1.208 55.254 54.000 0.077 0.000 0.846 681 D CB -0.085 40.761 40.800 0.077 0.000 0.941 681 D HN 0.384 nan 8.370 nan 0.000 0.456 682 I N 0.659 121.324 120.570 0.159 0.000 2.193 682 I HA -0.210 3.960 4.170 -0.000 0.000 0.240 682 I C 2.538 178.789 176.117 0.222 0.000 1.084 682 I CA 0.551 61.991 61.300 0.234 0.000 1.365 682 I CB -0.157 37.994 38.000 0.252 0.000 1.064 682 I HN -0.026 nan 8.210 nan 0.000 0.410 683 L N 0.632 121.946 121.223 0.151 0.000 2.079 683 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 683 L C 2.846 179.770 176.870 0.090 0.000 1.081 683 L CA 1.461 56.357 54.840 0.094 0.000 0.752 683 L CB -0.831 41.236 42.059 0.013 0.000 0.896 683 L HN 0.274 nan 8.230 nan 0.000 0.433 684 A N -0.285 122.577 122.820 0.069 0.000 1.930 684 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 684 A C 2.345 179.958 177.584 0.048 0.000 1.175 684 A CA 2.163 54.228 52.037 0.045 0.000 0.627 684 A CB -0.724 18.296 19.000 0.033 0.000 0.815 684 A HN 0.397 nan 8.150 nan 0.000 0.443 685 T N -1.730 112.870 114.554 0.077 0.000 2.812 685 T HA -0.107 4.243 4.350 -0.000 0.000 0.264 685 T C 1.776 176.448 174.700 -0.046 0.000 1.042 685 T CA 1.426 63.550 62.100 0.041 0.000 1.140 685 T CB -0.449 68.488 68.868 0.115 0.000 0.870 685 T HN 0.490 nan 8.240 nan 0.000 0.445 686 Y N 2.408 122.614 120.300 -0.157 0.000 2.030 686 Y HA -0.238 4.312 4.550 -0.000 0.000 0.274 686 Y C 2.631 178.429 175.900 -0.169 0.000 1.153 686 Y CA 1.994 59.926 58.100 -0.279 0.000 1.115 686 Y CB -0.270 38.078 38.460 -0.188 0.000 0.969 686 Y HN 0.004 nan 8.280 nan 0.000 0.488 687 K N 0.438 120.909 120.400 0.117 0.000 2.077 687 K HA -0.328 3.992 4.320 -0.000 0.000 0.213 687 K C 2.332 178.902 176.600 -0.049 0.000 1.051 687 K CA 2.373 58.685 56.287 0.041 0.000 0.929 687 K CB -0.362 32.164 32.500 0.042 0.000 0.715 687 K HN 0.302 nan 8.250 nan 0.000 0.451 688 K N -0.221 120.146 120.400 -0.055 0.000 2.116 688 K HA -0.084 4.236 4.320 -0.000 0.000 0.203 688 K C 1.450 177.985 176.600 -0.108 0.000 1.052 688 K CA 1.184 57.430 56.287 -0.067 0.000 0.952 688 K CB 0.252 32.728 32.500 -0.041 0.000 0.729 688 K HN 0.192 nan 8.250 nan 0.000 0.446 689 E N -0.211 119.893 120.200 -0.160 0.000 2.431 689 E HA 0.083 4.433 4.350 -0.000 0.000 0.200 689 E C 1.776 178.206 176.600 -0.283 0.000 0.995 689 E CA 0.315 56.602 56.400 -0.190 0.000 0.915 689 E CB 0.638 30.237 29.700 -0.167 0.000 0.930 689 E HN 0.363 nan 8.360 nan 0.000 0.496 690 I N 0.162 120.473 120.570 -0.432 0.000 3.673 690 I HA 0.010 4.180 4.170 -0.000 0.000 0.281 690 I C 0.599 176.469 176.117 -0.412 0.000 1.182 690 I CA 0.105 61.073 61.300 -0.553 0.000 1.391 690 I CB 0.642 37.981 38.000 -1.103 0.000 1.383 690 I HN -0.236 nan 8.210 nan 0.000 0.456 691 V N 2.549 122.247 119.914 -0.361 0.000 2.694 691 V HA -0.075 4.045 4.120 -0.000 0.000 0.306 691 V C 1.323 177.344 176.094 -0.123 0.000 1.054 691 V CA 0.335 62.537 62.300 -0.162 0.000 1.161 691 V CB 1.315 33.106 31.823 -0.054 0.000 0.916 691 V HN 0.112 nan 8.190 nan 0.000 0.490 692 V N 2.457 122.319 119.914 -0.087 0.000 2.795 692 V HA 0.112 4.232 4.120 -0.000 0.000 0.243 692 V C 0.761 176.825 176.094 -0.051 0.000 1.069 692 V CA 1.166 63.422 62.300 -0.072 0.000 1.089 692 V CB 0.282 32.066 31.823 -0.066 0.000 0.756 692 V HN 0.969 nan 8.190 nan 0.000 0.471 693 S N -0.638 115.039 115.700 -0.039 0.000 2.546 693 S HA 0.354 4.824 4.470 -0.000 0.000 0.272 693 S C -0.000 174.586 174.600 -0.022 0.000 1.140 693 S CA -0.321 57.861 58.200 -0.030 0.000 0.920 693 S CB 1.577 64.760 63.200 -0.027 0.000 1.083 693 S HN 0.120 nan 8.310 nan 0.000 0.476 694 N N 2.203 120.890 118.700 -0.021 0.000 2.453 694 N HA -0.129 4.611 4.740 -0.000 0.000 0.183 694 N C 1.790 177.291 175.510 -0.015 0.000 1.041 694 N CA 1.880 54.920 53.050 -0.017 0.000 0.900 694 N CB -0.335 38.141 38.487 -0.018 0.000 0.961 694 N HN 0.868 nan 8.380 nan 0.000 0.443 695 T N -2.754 111.790 114.554 -0.016 0.000 2.946 695 T HA 0.005 4.355 4.350 -0.000 0.000 0.271 695 T C 0.866 175.558 174.700 -0.012 0.000 1.104 695 T CA 0.533 62.624 62.100 -0.014 0.000 1.114 695 T CB -0.714 68.145 68.868 -0.015 0.000 0.867 695 T HN 0.313 nan 8.240 nan 0.000 0.513 696 A N 1.336 124.149 122.820 -0.011 0.000 2.555 696 A HA 0.509 4.829 4.320 -0.000 0.000 0.233 696 A C 1.688 179.267 177.584 -0.008 0.000 1.060 696 A CA 0.156 52.189 52.037 -0.008 0.000 0.759 696 A CB -1.047 17.952 19.000 -0.002 0.000 0.995 696 A HN 0.965 nan 8.150 nan 0.000 0.506 697 G N 1.719 110.515 108.800 -0.007 0.000 2.998 697 G HA2 0.047 4.007 3.960 -0.000 0.000 0.855 697 G HA3 0.047 4.007 3.960 -0.000 0.000 0.855 697 G C 0.816 175.709 174.900 -0.011 0.000 1.032 697 G CA 0.961 46.056 45.100 -0.008 0.000 0.804 697 G HN 2.149 nan 8.290 nan 0.000 0.970 698 G N -2.027 106.765 108.800 -0.013 0.000 2.938 698 G HA2 0.661 4.621 3.960 -0.000 0.000 0.308 698 G HA3 0.661 4.621 3.960 -0.000 0.000 0.308 698 G C 0.327 175.215 174.900 -0.021 0.000 1.422 698 G CA 0.935 46.026 45.100 -0.016 0.000 1.071 698 G HN 2.173 nan 8.290 nan 0.000 0.530 699 A N 2.429 125.236 122.820 -0.021 0.000 2.154 699 A HA -0.091 4.229 4.320 -0.000 0.000 0.274 699 A C -2.169 175.396 177.584 -0.031 0.000 1.373 699 A CA 0.390 52.411 52.037 -0.026 0.000 0.751 699 A CB -1.208 17.775 19.000 -0.029 0.000 1.149 699 A HN 0.479 nan 8.150 nan 0.000 0.337 700 P HA 0.588 nan 4.420 nan 0.000 0.281 700 P C -0.369 176.909 177.300 -0.038 0.000 1.281 700 P CA -0.757 62.324 63.100 -0.031 0.000 0.811 700 P CB 0.672 32.361 31.700 -0.018 0.000 1.154 701 L N 1.441 122.634 121.223 -0.050 0.000 2.337 701 L HA 0.352 4.692 4.340 -0.000 0.000 0.269 701 L C -0.258 176.578 176.870 -0.057 0.000 1.018 701 L CA -0.560 54.243 54.840 -0.063 0.000 0.876 701 L CB -0.217 41.782 42.059 -0.099 0.000 1.236 701 L HN 0.163 nan 8.230 nan 0.000 0.436 702 R N 3.659 124.145 120.500 -0.025 0.000 2.543 702 R HA 0.599 4.939 4.340 -0.000 0.000 0.277 702 R C -0.694 175.453 176.300 -0.254 0.000 1.074 702 R CA -0.350 55.736 56.100 -0.023 0.000 1.076 702 R CB 1.050 31.445 30.300 0.159 0.000 0.993 702 R HN 0.611 nan 8.270 nan 0.000 0.459 703 L N 0.869 121.764 121.223 -0.547 0.000 3.119 703 L HA 0.284 4.624 4.340 -0.000 0.000 0.283 703 L C -1.258 175.181 176.870 -0.719 0.000 1.028 703 L CA -0.640 53.534 54.840 -1.110 0.000 0.975 703 L CB 1.267 43.058 42.059 -0.446 0.000 1.543 703 L HN 0.898 nan 8.230 nan 0.000 0.390 704 C N -0.378 118.640 119.300 -0.470 0.000 2.349 704 C HA 0.854 5.314 4.460 -0.000 0.000 0.361 704 C C 1.758 176.752 174.990 0.007 0.000 1.189 704 C CA -0.152 58.847 59.018 -0.033 0.000 2.155 704 C CB 0.394 28.245 27.740 0.185 0.000 2.336 704 C HN 0.985 nan 8.230 nan 0.000 0.540 705 A N 1.679 124.539 122.820 0.067 0.000 1.933 705 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 705 A C 2.006 179.592 177.584 0.003 0.000 1.175 705 A CA 1.923 53.978 52.037 0.029 0.000 0.628 705 A CB -0.760 18.255 19.000 0.024 0.000 0.814 705 A HN 0.991 nan 8.150 nan 0.000 0.444 706 N N -0.004 118.703 118.700 0.011 0.000 2.571 706 N HA -0.010 4.730 4.740 -0.000 0.000 0.189 706 N C 0.855 176.369 175.510 0.007 0.000 1.154 706 N CA 0.763 53.809 53.050 -0.006 0.000 0.907 706 N CB -0.165 38.318 38.487 -0.008 0.000 0.977 706 N HN 0.515 nan 8.380 nan 0.000 0.449 707 L N -0.372 120.867 121.223 0.028 0.000 3.016 707 L HA 0.294 4.634 4.340 -0.000 0.000 0.267 707 L C 2.146 179.073 176.870 0.096 0.000 1.182 707 L CA -0.276 54.601 54.840 0.061 0.000 0.997 707 L CB 0.250 42.340 42.059 0.051 0.000 1.354 707 L HN -0.010 nan 8.230 nan 0.000 0.569 708 R N 0.657 121.184 120.500 0.046 0.000 2.159 708 R HA -0.142 4.198 4.340 -0.000 0.000 0.237 708 R C 1.747 178.076 176.300 0.049 0.000 1.131 708 R CA 1.353 57.476 56.100 0.038 0.000 0.982 708 R CB 0.161 30.467 30.300 0.011 0.000 0.868 708 R HN 0.273 nan 8.270 nan 0.000 0.453 709 M N -1.109 118.518 119.600 0.044 0.000 2.492 709 M HA 0.006 4.486 4.480 -0.000 0.000 0.255 709 M C 1.511 177.845 176.300 0.057 0.000 1.139 709 M CA 0.305 55.602 55.300 -0.005 0.000 1.096 709 M CB -0.648 31.922 32.600 -0.050 0.000 1.360 709 M HN 0.046 nan 8.290 nan 0.000 0.480 710 F N 2.825 122.775 119.950 -0.001 0.000 2.065 710 F HA -0.125 4.402 4.527 -0.000 0.000 0.298 710 F C -0.835 175.013 175.800 0.079 0.000 1.112 710 F CA 1.912 59.932 58.000 0.034 0.000 1.212 710 F CB -1.723 37.304 39.000 0.045 0.000 0.975 710 F HN 0.106 nan 8.300 nan 0.000 0.476 711 P HA -0.165 nan 4.420 nan 0.000 0.217 711 P C 1.960 179.325 177.300 0.108 0.000 1.150 711 P CA 1.357 64.456 63.100 -0.002 0.000 0.832 711 P CB -0.179 31.641 31.700 0.199 0.000 0.787 712 L N -0.987 120.223 121.223 -0.022 0.000 2.046 712 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 712 L C 2.122 178.855 176.870 -0.229 0.000 1.077 712 L CA 1.826 56.437 54.840 -0.381 0.000 0.747 712 L CB -1.378 40.326 42.059 -0.591 0.000 0.896 712 L HN -0.118 nan 8.230 nan 0.000 0.432 713 L N -1.489 119.626 121.223 -0.180 0.000 2.027 713 L HA -0.212 4.128 4.340 -0.000 0.000 0.206 713 L C 2.588 179.363 176.870 -0.158 0.000 1.074 713 L CA 1.185 55.952 54.840 -0.122 0.000 0.745 713 L CB -0.529 41.496 42.059 -0.057 0.000 0.898 713 L HN 0.312 nan 8.230 nan 0.000 0.433 714 M N -0.869 118.561 119.600 -0.284 0.000 2.108 714 M HA -0.259 4.221 4.480 -0.000 0.000 0.261 714 M C 2.330 178.472 176.300 -0.264 0.000 1.066 714 M CA 1.807 56.927 55.300 -0.299 0.000 1.107 714 M CB -1.443 30.868 32.600 -0.481 0.000 1.356 714 M HN 0.311 nan 8.290 nan 0.000 0.406 715 H N 0.354 119.174 119.070 -0.416 0.000 2.353 715 H HA -0.049 4.507 4.556 -0.000 0.000 0.300 715 H C 1.994 177.110 175.328 -0.355 0.000 1.090 715 H CA 2.341 57.994 56.048 -0.658 0.000 1.327 715 H CB -0.001 29.175 29.762 -0.976 0.000 1.383 715 H HN 0.259 nan 8.280 nan 0.000 0.508 716 S N 0.079 115.596 115.700 -0.304 0.000 2.383 716 S HA -0.130 4.340 4.470 -0.000 0.000 0.229 716 S C 2.098 176.605 174.600 -0.155 0.000 1.030 716 S CA 1.058 59.124 58.200 -0.223 0.000 1.002 716 S CB -0.429 62.752 63.200 -0.031 0.000 0.829 716 S HN 0.310 nan 8.310 nan 0.000 0.467 717 L N 2.192 123.334 121.223 -0.135 0.000 2.012 717 L HA -0.141 4.199 4.340 -0.000 0.000 0.210 717 L C 2.706 179.567 176.870 -0.015 0.000 1.073 717 L CA 2.318 57.123 54.840 -0.057 0.000 0.748 717 L CB -1.540 40.417 42.059 -0.168 0.000 0.891 717 L HN 0.520 nan 8.230 nan 0.000 0.431 718 T N -3.939 110.512 114.554 -0.171 0.000 2.977 718 T HA -0.203 4.147 4.350 -0.000 0.000 0.271 718 T C 1.664 176.323 174.700 -0.068 0.000 1.105 718 T CA 1.363 63.393 62.100 -0.117 0.000 1.116 718 T CB -0.381 68.361 68.868 -0.210 0.000 0.878 718 T HN 0.371 nan 8.240 nan 0.000 0.509 719 K N -0.091 120.229 120.400 -0.134 0.000 2.374 719 K HA 0.133 4.453 4.320 -0.000 0.000 0.196 719 K C 0.806 177.400 176.600 -0.010 0.000 1.023 719 K CA -0.329 55.891 56.287 -0.113 0.000 1.103 719 K CB 0.131 32.496 32.500 -0.225 0.000 0.848 719 K HN 0.523 nan 8.250 nan 0.000 0.528 720 H N 0.924 119.998 119.070 0.006 0.000 2.679 720 H HA 0.049 4.605 4.556 -0.000 0.000 0.369 720 H C 1.071 176.425 175.328 0.042 0.000 1.178 720 H CA 0.453 56.531 56.048 0.049 0.000 1.419 720 H CB 1.079 30.920 29.762 0.131 0.000 1.458 720 H HN -0.038 nan 8.280 nan 0.000 0.605 721 M N 2.751 122.118 119.600 -0.389 0.000 2.202 721 M HA -0.182 4.298 4.480 -0.000 0.000 0.262 721 M C 1.904 178.228 176.300 0.040 0.000 1.063 721 M CA 1.985 57.204 55.300 -0.135 0.000 1.097 721 M CB -0.143 32.341 32.600 -0.194 0.000 1.382 721 M HN 0.721 nan 8.290 nan 0.000 0.413 722 A N -1.219 121.743 122.820 0.236 0.000 2.119 722 A HA -0.044 4.276 4.320 -0.000 0.000 0.216 722 A C 1.183 178.355 177.584 -0.687 0.000 1.152 722 A CA 1.006 52.874 52.037 -0.282 0.000 0.708 722 A CB -0.438 18.250 19.000 -0.521 0.000 0.805 722 A HN 0.596 nan 8.150 nan 0.000 0.460 723 F N -1.324 118.695 119.950 0.115 0.000 2.817 723 F HA 0.309 4.836 4.527 -0.000 0.000 0.333 723 F C 0.908 176.722 175.800 0.022 0.000 1.085 723 F CA -0.755 57.275 58.000 0.049 0.000 1.170 723 F CB 0.185 39.199 39.000 0.023 0.000 1.066 723 F HN -0.118 nan 8.300 nan 0.000 0.564 724 R N 1.677 122.254 120.500 0.129 0.000 2.598 724 R HA 0.007 4.347 4.340 -0.000 0.000 0.266 724 R C 0.278 176.608 176.300 0.051 0.000 0.977 724 R CA 0.689 56.824 56.100 0.059 0.000 1.097 724 R CB 0.151 30.457 30.300 0.011 0.000 0.911 724 R HN 0.158 nan 8.270 nan 0.000 0.419 725 S N 0.896 116.615 115.700 0.032 0.000 2.422 725 S HA 0.713 5.183 4.470 -0.000 0.000 0.308 725 S C 0.365 174.972 174.600 0.013 0.000 1.097 725 S CA -0.146 58.071 58.200 0.029 0.000 1.099 725 S CB 1.884 65.101 63.200 0.028 0.000 0.976 725 S HN 0.940 nan 8.310 nan 0.000 0.471 726 G N 2.240 111.046 108.800 0.010 0.000 2.347 726 G HA2 0.174 4.134 3.960 -0.000 0.000 0.224 726 G HA3 0.174 4.134 3.960 -0.000 0.000 0.224 726 G C -1.637 173.261 174.900 -0.004 0.000 1.318 726 G CA -0.960 44.140 45.100 -0.000 0.000 1.016 726 G HN 0.722 nan 8.290 nan 0.000 0.469 727 I N 1.186 121.748 120.570 -0.014 0.000 2.339 727 I HA 0.586 4.756 4.170 -0.000 0.000 0.290 727 I C -0.495 175.606 176.117 -0.027 0.000 0.994 727 I CA -0.880 60.410 61.300 -0.016 0.000 1.191 727 I CB 1.583 39.571 38.000 -0.020 0.000 1.343 727 I HN 0.298 nan 8.210 nan 0.000 0.458 728 V N 7.133 127.040 119.914 -0.011 0.000 2.777 728 V HA 0.307 4.426 4.120 -0.000 0.000 0.306 728 V C -2.429 173.692 176.094 0.045 0.000 1.112 728 V CA -1.658 60.638 62.300 -0.006 0.000 0.917 728 V CB 2.037 33.859 31.823 -0.002 0.000 1.018 728 V HN 0.567 nan 8.190 nan 0.000 0.426 729 P HA 0.054 nan 4.420 nan 0.000 0.260 729 P C 1.151 178.556 177.300 0.174 0.000 1.185 729 P CA 0.574 63.781 63.100 0.177 0.000 0.763 729 P CB 0.783 32.699 31.700 0.361 0.000 0.776 730 S N 3.029 118.808 115.700 0.131 0.000 2.429 730 S HA -0.304 4.166 4.470 -0.000 0.000 0.251 730 S C 1.496 176.138 174.600 0.071 0.000 1.104 730 S CA 2.214 60.485 58.200 0.118 0.000 1.130 730 S CB -0.584 62.735 63.200 0.198 0.000 1.000 730 S HN 0.469 nan 8.310 nan 0.000 0.449 731 D N -0.169 120.260 120.400 0.049 0.000 2.097 731 D HA -0.078 4.562 4.640 -0.000 0.000 0.197 731 D C 1.926 178.159 176.300 -0.111 0.000 0.984 731 D CA 1.257 55.128 54.000 -0.215 0.000 0.826 731 D CB -0.710 39.812 40.800 -0.463 0.000 0.973 731 D HN 0.600 nan 8.370 nan 0.000 0.460 732 H N 0.544 119.714 119.070 0.167 0.000 2.352 732 H HA -0.077 4.479 4.556 -0.000 0.000 0.299 732 H C 2.315 177.690 175.328 0.078 0.000 1.097 732 H CA 1.297 57.459 56.048 0.190 0.000 1.311 732 H CB 0.102 29.936 29.762 0.120 0.000 1.377 732 H HN 0.098 nan 8.280 nan 0.000 0.504 733 R N 0.778 121.363 120.500 0.142 0.000 2.075 733 R HA -0.060 4.280 4.340 -0.000 0.000 0.232 733 R C 2.503 178.792 176.300 -0.018 0.000 1.126 733 R CA 1.291 57.413 56.100 0.036 0.000 0.963 733 R CB -0.184 30.120 30.300 0.008 0.000 0.858 733 R HN 0.228 nan 8.270 nan 0.000 0.435 734 A N -0.305 122.494 122.820 -0.035 0.000 1.902 734 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 734 A C 2.196 179.737 177.584 -0.072 0.000 1.181 734 A CA 1.860 53.850 52.037 -0.078 0.000 0.623 734 A CB -0.873 18.053 19.000 -0.123 0.000 0.818 734 A HN 0.467 nan 8.150 nan 0.000 0.443 735 S N -0.556 115.115 115.700 -0.048 0.000 2.383 735 S HA 0.009 4.479 4.470 -0.000 0.000 0.227 735 S C 2.138 176.770 174.600 0.053 0.000 1.026 735 S CA 1.462 59.668 58.200 0.010 0.000 0.981 735 S CB -0.465 62.830 63.200 0.157 0.000 0.818 735 S HN 0.776 nan 8.310 nan 0.000 0.472 736 A N 1.765 124.633 122.820 0.081 0.000 1.845 736 A HA 0.036 4.356 4.320 -0.000 0.000 0.215 736 A C 2.180 179.778 177.584 0.024 0.000 1.195 736 A CA 1.564 53.676 52.037 0.124 0.000 0.616 736 A CB -1.067 18.036 19.000 0.172 0.000 0.832 736 A HN 0.556 nan 8.150 nan 0.000 0.443 737 L N -0.305 120.876 121.223 -0.070 0.000 2.081 737 L HA -0.260 4.080 4.340 -0.000 0.000 0.212 737 L C 2.512 179.359 176.870 -0.039 0.000 1.080 737 L CA 1.802 56.572 54.840 -0.116 0.000 0.754 737 L CB -0.638 41.333 42.059 -0.147 0.000 0.893 737 L HN 0.587 nan 8.230 nan 0.000 0.433 738 N N -0.149 118.538 118.700 -0.021 0.000 2.188 738 N HA -0.184 4.556 4.740 -0.000 0.000 0.184 738 N C 1.703 177.220 175.510 0.011 0.000 1.018 738 N CA 1.082 54.142 53.050 0.016 0.000 0.858 738 N CB -0.037 38.441 38.487 -0.015 0.000 0.989 738 N HN 0.183 nan 8.380 nan 0.000 0.426 739 N N 0.504 119.205 118.700 0.001 0.000 2.028 739 N HA -0.097 4.643 4.740 -0.000 0.000 0.194 739 N C 1.721 177.215 175.510 -0.028 0.000 1.050 739 N CA 1.196 54.245 53.050 -0.003 0.000 0.848 739 N CB -0.465 38.052 38.487 0.050 0.000 1.038 739 N HN 0.266 nan 8.380 nan 0.000 0.423 740 L N 1.331 122.538 121.223 -0.028 0.000 2.043 740 L HA -0.215 4.125 4.340 -0.000 0.000 0.212 740 L C 2.328 179.172 176.870 -0.043 0.000 1.075 740 L CA 1.700 56.512 54.840 -0.047 0.000 0.752 740 L CB -0.786 41.225 42.059 -0.079 0.000 0.891 740 L HN 0.429 nan 8.230 nan 0.000 0.432 741 E N 0.223 120.400 120.200 -0.038 0.000 2.338 741 E HA -0.170 4.180 4.350 -0.000 0.000 0.197 741 E C 1.560 178.073 176.600 -0.146 0.000 1.007 741 E CA 1.372 57.745 56.400 -0.045 0.000 0.849 741 E CB 0.029 29.740 29.700 0.018 0.000 0.774 741 E HN 0.531 nan 8.360 nan 0.000 0.506 742 S N -0.709 114.856 115.700 -0.225 0.000 2.787 742 S HA 0.208 4.678 4.470 -0.000 0.000 0.255 742 S C 0.229 174.692 174.600 -0.228 0.000 1.051 742 S CA -0.694 57.291 58.200 -0.359 0.000 1.124 742 S CB 0.171 62.934 63.200 -0.728 0.000 1.104 742 S HN 0.077 nan 8.310 nan 0.000 0.623 743 L N 3.658 124.804 121.223 -0.128 0.000 2.456 743 L HA 0.461 4.801 4.340 -0.000 0.000 0.272 743 L C -2.520 174.326 176.870 -0.039 0.000 1.189 743 L CA -1.574 53.230 54.840 -0.061 0.000 0.846 743 L CB -0.177 41.882 42.059 0.000 0.000 1.111 743 L HN 0.042 nan 8.230 nan 0.000 0.475 744 P HA 0.026 nan 4.420 nan 0.000 0.272 744 P C 0.613 177.945 177.300 0.054 0.000 1.223 744 P CA -0.487 62.629 63.100 0.026 0.000 0.784 744 P CB 0.567 32.337 31.700 0.115 0.000 0.923 745 L N 3.930 125.147 121.223 -0.010 0.000 2.021 745 L HA -0.251 4.089 4.340 -0.000 0.000 0.215 745 L C 2.204 179.051 176.870 -0.039 0.000 1.074 745 L CA 2.058 56.888 54.840 -0.016 0.000 0.760 745 L CB -1.035 41.007 42.059 -0.028 0.000 0.889 745 L HN 0.385 nan 8.230 nan 0.000 0.433 746 K N -1.709 118.626 120.400 -0.108 0.000 2.089 746 K HA -0.265 4.055 4.320 -0.000 0.000 0.210 746 K C 1.997 178.396 176.600 -0.334 0.000 1.048 746 K CA 2.414 58.539 56.287 -0.271 0.000 0.926 746 K CB -0.407 31.823 32.500 -0.450 0.000 0.714 746 K HN 0.493 nan 8.250 nan 0.000 0.448 747 Y N -0.065 120.211 120.300 -0.039 0.000 2.476 747 Y HA -0.009 4.541 4.550 -0.000 0.000 0.283 747 Y C 1.927 177.824 175.900 -0.004 0.000 1.109 747 Y CA 0.106 58.189 58.100 -0.028 0.000 1.246 747 Y CB -0.114 38.314 38.460 -0.052 0.000 1.068 747 Y HN 0.047 nan 8.280 nan 0.000 0.552 748 L N 0.271 121.570 121.223 0.126 0.000 2.043 748 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 748 L C 1.863 178.773 176.870 0.067 0.000 1.075 748 L CA 1.723 56.607 54.840 0.073 0.000 0.752 748 L CB -0.600 41.479 42.059 0.034 0.000 0.891 748 L HN 0.132 nan 8.230 nan 0.000 0.432 749 I N -0.203 120.396 120.570 0.049 0.000 2.233 749 I HA -0.255 3.915 4.170 -0.000 0.000 0.243 749 I C 2.465 178.634 176.117 0.088 0.000 1.093 749 I CA 1.415 62.747 61.300 0.052 0.000 1.380 749 I CB -1.399 36.611 38.000 0.017 0.000 1.067 749 I HN 0.413 nan 8.210 nan 0.000 0.413 750 K N 1.017 121.466 120.400 0.082 0.000 2.211 750 K HA -0.202 4.118 4.320 -0.000 0.000 0.204 750 K C 1.949 178.626 176.600 0.128 0.000 1.047 750 K CA 1.177 57.530 56.287 0.110 0.000 0.935 750 K CB -0.013 32.554 32.500 0.113 0.000 0.728 750 K HN 0.263 nan 8.250 nan 0.000 0.452 751 N N 0.658 119.444 118.700 0.143 0.000 2.171 751 N HA -0.074 4.666 4.740 -0.000 0.000 0.184 751 N C 1.806 177.438 175.510 0.204 0.000 1.021 751 N CA 1.187 54.342 53.050 0.175 0.000 0.854 751 N CB 0.042 38.637 38.487 0.181 0.000 0.994 751 N HN 0.221 nan 8.380 nan 0.000 0.426 752 I N -0.958 119.710 120.570 0.163 0.000 2.233 752 I HA -0.193 3.977 4.170 -0.000 0.000 0.243 752 I C 0.400 176.601 176.117 0.140 0.000 1.093 752 I CA 0.836 62.233 61.300 0.162 0.000 1.380 752 I CB -0.051 38.004 38.000 0.091 0.000 1.067 752 I HN 0.060 nan 8.210 nan 0.000 0.413 753 Y N 3.622 123.920 120.300 -0.004 0.000 2.426 753 Y HA 0.385 4.935 4.550 -0.000 0.000 0.325 753 Y C -2.461 173.418 175.900 -0.034 0.000 0.989 753 Y CA -2.834 55.239 58.100 -0.045 0.000 1.284 753 Y CB 1.117 39.532 38.460 -0.074 0.000 1.104 753 Y HN -0.155 nan 8.280 nan 0.000 0.481 754 P HA -0.004 nan 4.420 nan 0.000 0.270 754 P C -0.956 176.305 177.300 -0.064 0.000 1.223 754 P CA 0.145 63.183 63.100 -0.103 0.000 0.785 754 P CB 1.199 32.789 31.700 -0.182 0.000 0.923 755 D N 1.213 121.617 120.400 0.006 0.000 2.380 755 D HA 0.232 4.872 4.640 -0.000 0.000 0.230 755 D C -0.145 176.061 176.300 -0.155 0.000 1.154 755 D CA -0.124 53.819 54.000 -0.096 0.000 0.859 755 D CB 0.796 41.571 40.800 -0.043 0.000 1.045 755 D HN 0.021 nan 8.370 nan 0.000 0.495 756 V N 3.400 123.186 119.914 -0.213 0.000 2.481 756 V HA 0.293 4.413 4.120 -0.000 0.000 0.286 756 V C -0.618 175.361 176.094 -0.191 0.000 1.042 756 V CA -0.608 61.653 62.300 -0.065 0.000 0.928 756 V CB 0.629 32.450 31.823 -0.005 0.000 0.986 756 V HN 0.315 nan 8.190 nan 0.000 0.462 757 Y N 1.905 122.258 120.300 0.089 0.000 2.338 757 Y HA 0.464 5.014 4.550 -0.000 0.000 0.333 757 Y C 0.493 176.424 175.900 0.051 0.000 0.968 757 Y CA -0.867 57.269 58.100 0.061 0.000 1.123 757 Y CB 1.971 40.463 38.460 0.052 0.000 1.165 757 Y HN 0.646 nan 8.280 nan 0.000 0.452 758 S N 3.662 119.431 115.700 0.115 0.000 2.439 758 S HA 0.349 4.819 4.470 -0.000 0.000 0.282 758 S C 0.284 174.830 174.600 -0.089 0.000 1.170 758 S CA -0.588 57.533 58.200 -0.131 0.000 1.054 758 S CB 0.347 63.421 63.200 -0.209 0.000 0.956 758 S HN 0.814 nan 8.310 nan 0.000 0.490 759 L N 2.691 123.905 121.223 -0.016 0.000 2.567 759 L HA 0.085 4.425 4.340 -0.000 0.000 0.225 759 L C 2.242 179.202 176.870 0.150 0.000 1.119 759 L CA 0.062 54.957 54.840 0.091 0.000 0.871 759 L CB -0.545 41.593 42.059 0.132 0.000 1.036 759 L HN 0.835 nan 8.230 nan 0.000 0.459 760 H N -0.929 118.072 119.070 -0.115 0.000 2.403 760 H HA -0.011 4.545 4.556 -0.000 0.000 0.298 760 H C 0.959 176.248 175.328 -0.066 0.000 1.059 760 H CA 0.868 56.859 56.048 -0.094 0.000 1.363 760 H CB -0.332 29.350 29.762 -0.134 0.000 1.410 760 H HN 0.300 nan 8.280 nan 0.000 0.528 761 D N 1.427 121.526 120.400 -0.501 0.000 2.183 761 D HA -0.038 4.602 4.640 -0.000 0.000 0.205 761 D C 1.334 177.559 176.300 -0.126 0.000 0.962 761 D CA -0.087 53.734 54.000 -0.299 0.000 0.849 761 D CB -0.227 40.361 40.800 -0.353 0.000 0.978 761 D HN 0.265 nan 8.370 nan 0.000 0.488 762 M N 1.322 120.867 119.600 -0.091 0.000 2.118 762 M HA -0.213 4.267 4.480 -0.000 0.000 0.478 762 M C 0.228 176.543 176.300 0.026 0.000 1.128 762 M CA 0.042 55.347 55.300 0.008 0.000 0.621 762 M CB 0.466 33.115 32.600 0.083 0.000 1.873 762 M HN 0.109 nan 8.290 nan 0.000 0.563 763 A N 4.710 127.548 122.820 0.030 0.000 2.407 763 A HA -0.004 4.316 4.320 -0.000 0.000 0.257 763 A C 0.416 178.030 177.584 0.050 0.000 1.131 763 A CA 0.761 52.816 52.037 0.031 0.000 0.803 763 A CB 0.032 19.050 19.000 0.031 0.000 1.083 763 A HN 0.934 nan 8.150 nan 0.000 0.512 764 D N -1.446 118.980 120.400 0.043 0.000 2.388 764 D HA 0.103 4.743 4.640 -0.000 0.000 0.208 764 D C 1.063 177.392 176.300 0.049 0.000 1.035 764 D CA 0.551 54.584 54.000 0.055 0.000 0.875 764 D CB 0.200 41.027 40.800 0.044 0.000 0.984 764 D HN 0.701 nan 8.370 nan 0.000 0.508 765 E N 0.623 120.845 120.200 0.037 0.000 2.463 765 E HA 0.184 4.534 4.350 -0.000 0.000 0.191 765 E C 1.194 177.812 176.600 0.030 0.000 1.083 765 E CA -0.252 56.167 56.400 0.031 0.000 0.872 765 E CB 0.409 30.124 29.700 0.025 0.000 0.966 765 E HN 0.191 nan 8.360 nan 0.000 0.491 766 A N 1.054 123.896 122.820 0.036 0.000 2.961 766 A HA 0.142 4.462 4.320 -0.000 0.000 0.170 766 A C 2.197 179.789 177.584 0.013 0.000 1.374 766 A CA 0.901 52.954 52.037 0.027 0.000 0.794 766 A CB -1.440 17.580 19.000 0.034 0.000 1.008 766 A HN 0.312 nan 8.150 nan 0.000 0.519 767 G N -1.481 107.319 108.800 0.000 0.000 3.389 767 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.346 767 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.346 767 G C 0.393 175.283 174.900 -0.016 0.000 2.081 767 G CA 2.147 47.237 45.100 -0.017 0.000 2.341 767 G HN 1.023 nan 8.290 nan 0.000 0.897 768 L N -0.058 121.163 121.223 -0.003 0.000 2.397 768 L HA 0.642 4.982 4.340 -0.000 0.000 0.251 768 L C -1.977 174.895 176.870 0.003 0.000 1.064 768 L CA -1.978 52.860 54.840 -0.004 0.000 0.859 768 L CB 1.843 43.901 42.059 -0.002 0.000 1.468 768 L HN -0.061 nan 8.230 nan 0.000 0.411 780 T N 1.909 116.463 114.554 -0.000 0.000 2.743 780 T HA 0.438 4.788 4.350 -0.000 0.000 0.293 780 T C 0.893 175.593 174.700 -0.001 0.000 0.945 780 T CA -0.072 62.029 62.100 0.002 0.000 1.030 780 T CB 1.364 70.240 68.868 0.012 0.000 0.912 780 T HN 0.219 nan 8.240 nan 0.000 0.483 781 I N 3.295 123.859 120.570 -0.010 0.000 2.648 781 I HA 0.043 4.213 4.170 -0.000 0.000 0.284 781 I C 0.476 176.589 176.117 -0.007 0.000 1.153 781 I CA -0.266 61.025 61.300 -0.016 0.000 1.426 781 I CB 0.569 38.548 38.000 -0.035 0.000 1.381 781 I HN 0.265 nan 8.210 nan 0.000 0.571 782 V N 7.776 127.690 119.914 -0.001 0.000 2.583 782 V HA 0.224 4.344 4.120 -0.000 0.000 0.287 782 V C 0.353 176.453 176.094 0.011 0.000 1.051 782 V CA -0.261 62.046 62.300 0.013 0.000 1.010 782 V CB 1.083 32.917 31.823 0.018 0.000 0.988 782 V HN 0.434 nan 8.190 nan 0.000 0.478 783 L N 5.755 127.001 121.223 0.038 0.000 2.330 783 L HA 0.557 4.897 4.340 -0.000 0.000 0.271 783 L C -2.180 174.770 176.870 0.133 0.000 1.013 783 L CA -1.810 53.067 54.840 0.060 0.000 0.816 783 L CB 1.759 43.877 42.059 0.097 0.000 1.287 783 L HN 0.460 nan 8.230 nan 0.000 0.435 784 P HA 0.124 nan 4.420 nan 0.000 0.272 784 P C -1.085 176.355 177.300 0.234 0.000 1.240 784 P CA -0.550 62.688 63.100 0.229 0.000 0.791 784 P CB 0.474 32.346 31.700 0.287 0.000 0.978 785 Q N 1.952 121.814 119.800 0.104 0.000 2.296 785 Q HA 0.255 4.595 4.340 -0.000 0.000 0.262 785 Q C -2.256 173.707 176.000 -0.061 0.000 0.981 785 Q CA -1.599 54.219 55.803 0.025 0.000 0.905 785 Q CB -0.174 28.570 28.738 0.010 0.000 1.186 785 Q HN 0.233 nan 8.270 nan 0.000 0.399 786 P HA 0.068 nan 4.420 nan 0.000 0.271 786 P C -0.688 176.533 177.300 -0.132 0.000 1.216 786 P CA -0.007 62.895 63.100 -0.330 0.000 0.771 786 P CB 0.370 31.853 31.700 -0.361 0.000 0.864 787 I N -0.408 120.102 120.570 -0.100 0.000 3.062 787 I HA 0.450 4.620 4.170 -0.000 0.000 0.318 787 I C -0.029 176.106 176.117 0.030 0.000 1.026 787 I CA -1.044 60.244 61.300 -0.021 0.000 1.096 787 I CB 0.903 38.898 38.000 -0.009 0.000 1.348 787 I HN 0.078 nan 8.210 nan 0.000 0.543 788 N N 1.451 120.189 118.700 0.063 0.000 2.479 788 N HA 0.337 5.077 4.740 -0.000 0.000 0.257 788 N C -0.284 175.259 175.510 0.055 0.000 1.232 788 N CA 0.024 53.156 53.050 0.136 0.000 0.920 788 N CB 0.877 39.435 38.487 0.118 0.000 1.105 788 N HN 0.746 nan 8.380 nan 0.000 0.444 789 A N 1.330 124.133 122.820 -0.029 0.000 3.037 789 A HA 0.265 4.585 4.320 -0.000 0.000 0.272 789 A C 0.194 177.680 177.584 -0.164 0.000 1.723 789 A CA -0.090 51.789 52.037 -0.263 0.000 1.413 789 A CB -0.605 17.932 19.000 -0.771 0.000 1.112 789 A HN 0.479 nan 8.150 nan 0.000 0.606 790 T N -0.755 113.753 114.554 -0.077 0.000 2.893 790 T HA 0.335 4.685 4.350 -0.000 0.000 0.293 790 T C 1.234 175.851 174.700 -0.139 0.000 1.027 790 T CA 0.258 62.307 62.100 -0.084 0.000 0.988 790 T CB 1.688 70.552 68.868 -0.007 0.000 1.043 790 T HN 0.332 nan 8.240 nan 0.000 0.461 791 S N 2.580 118.137 115.700 -0.239 0.000 2.399 791 S HA -0.077 4.393 4.470 -0.000 0.000 0.231 791 S C 2.073 176.557 174.600 -0.193 0.000 1.022 791 S CA 2.174 60.150 58.200 -0.373 0.000 0.983 791 S CB -0.421 62.590 63.200 -0.315 0.000 0.803 791 S HN 0.742 nan 8.310 nan 0.000 0.480 792 S N 2.072 117.721 115.700 -0.086 0.000 2.392 792 S HA -0.139 4.331 4.470 -0.000 0.000 0.225 792 S C 1.730 176.333 174.600 0.005 0.000 1.041 792 S CA 1.813 59.997 58.200 -0.026 0.000 1.100 792 S CB -0.926 62.272 63.200 -0.003 0.000 1.029 792 S HN 0.552 nan 8.310 nan 0.000 0.424 793 L N 0.100 121.337 121.223 0.023 0.000 2.369 793 L HA -0.133 4.207 4.340 -0.000 0.000 0.220 793 L C 0.212 177.045 176.870 -0.061 0.000 1.119 793 L CA 0.523 55.371 54.840 0.014 0.000 0.780 793 L CB -0.735 41.327 42.059 0.005 0.000 0.906 793 L HN 0.181 nan 8.230 nan 0.000 0.442 794 F N 1.390 121.080 119.950 -0.435 0.000 2.512 794 F HA 0.061 4.588 4.527 -0.000 0.000 0.350 794 F C 1.009 176.661 175.800 -0.245 0.000 1.212 794 F CA -0.435 57.116 58.000 -0.749 0.000 1.099 794 F CB -0.232 38.047 39.000 -1.203 0.000 1.238 794 F HN -0.073 nan 8.300 nan 0.000 0.600 795 E N 2.881 123.144 120.200 0.104 0.000 2.366 795 E HA -0.023 4.327 4.350 -0.000 0.000 0.266 795 E C 1.294 177.877 176.600 -0.028 0.000 1.015 795 E CA -0.117 56.235 56.400 -0.080 0.000 0.906 795 E CB 0.421 29.801 29.700 -0.533 0.000 0.979 795 E HN 0.504 nan 8.360 nan 0.000 0.443 796 R N 2.784 123.361 120.500 0.129 0.000 2.447 796 R HA -0.195 4.145 4.340 -0.000 0.000 0.215 796 R C 0.370 176.814 176.300 0.240 0.000 1.130 796 R CA 1.197 57.459 56.100 0.270 0.000 1.075 796 R CB -0.186 30.266 30.300 0.254 0.000 0.824 796 R HN 0.574 nan 8.270 nan 0.000 0.484 797 Y N -5.710 114.688 120.300 0.163 0.000 2.791 797 Y HA 0.479 5.029 4.550 -0.000 0.000 0.263 797 Y C 0.216 176.058 175.900 -0.097 0.000 1.089 797 Y CA -0.539 57.582 58.100 0.034 0.000 1.253 797 Y CB -0.373 38.098 38.460 0.019 0.000 1.360 797 Y HN -0.080 nan 8.280 nan 0.000 0.569 798 G N 1.135 109.610 108.800 -0.542 0.000 2.557 798 G HA2 0.541 4.501 3.960 -0.000 0.000 0.302 798 G HA3 0.541 4.501 3.960 -0.000 0.000 0.302 798 G C -1.780 172.785 174.900 -0.558 0.000 1.311 798 G CA -0.895 43.524 45.100 -1.134 0.000 1.030 798 G HN 0.168 nan 8.290 nan 0.000 0.509 799 L N -0.182 120.585 121.223 -0.761 0.000 2.349 799 L HA 0.702 5.042 4.340 -0.000 0.000 0.278 799 L C -1.610 175.074 176.870 -0.310 0.000 0.996 799 L CA -0.911 53.819 54.840 -0.183 0.000 0.825 799 L CB 1.135 43.199 42.059 0.009 0.000 1.243 799 L HN 0.487 nan 8.230 nan 0.000 0.412 800 Y N 4.557 124.975 120.300 0.197 0.000 2.602 800 Y HA 0.723 5.273 4.550 -0.000 0.000 0.342 800 Y C -0.835 175.202 175.900 0.228 0.000 1.029 800 Y CA -1.000 57.170 58.100 0.116 0.000 1.080 800 Y CB 1.991 40.321 38.460 -0.216 0.000 1.284 800 Y HN 0.468 nan 8.280 nan 0.000 0.485 801 L N 3.171 124.625 121.223 0.385 0.000 2.485 801 L HA 0.551 4.891 4.340 -0.000 0.000 0.260 801 L C -1.419 175.682 176.870 0.386 0.000 0.998 801 L CA -0.296 54.746 54.840 0.337 0.000 0.883 801 L CB 0.252 42.432 42.059 0.202 0.000 1.196 801 L HN 0.532 nan 8.230 nan 0.000 0.443 802 I N 2.944 123.720 120.570 0.343 0.000 2.575 802 I HA 0.287 4.457 4.170 -0.000 0.000 0.285 802 I C -0.379 175.889 176.117 0.251 0.000 1.085 802 I CA -0.042 61.396 61.300 0.230 0.000 1.403 802 I CB 1.192 39.209 38.000 0.029 0.000 1.409 802 I HN 0.588 nan 8.210 nan 0.000 0.557 803 D N 4.472 124.994 120.400 0.203 0.000 2.386 803 D HA 0.154 4.794 4.640 -0.000 0.000 0.247 803 D C -0.255 176.125 176.300 0.134 0.000 1.336 803 D CA -0.679 53.445 54.000 0.207 0.000 0.976 803 D CB 0.587 41.562 40.800 0.293 0.000 1.257 803 D HN 0.476 nan 8.370 nan 0.000 0.570 804 N N 2.833 121.594 118.700 0.102 0.000 2.251 804 N HA 0.250 4.990 4.740 -0.000 0.000 0.217 804 N C 1.448 177.030 175.510 0.121 0.000 1.124 804 N CA 0.153 53.243 53.050 0.068 0.000 0.843 804 N CB 0.684 39.169 38.487 -0.003 0.000 1.024 804 N HN 0.586 nan 8.380 nan 0.000 0.501 805 G N 0.277 109.169 108.800 0.152 0.000 2.284 805 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.247 805 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.247 805 G C 0.959 175.938 174.900 0.132 0.000 1.012 805 G CA 0.540 45.742 45.100 0.170 0.000 0.618 805 G HN 0.474 nan 8.290 nan 0.000 0.521 806 N N 0.568 119.342 118.700 0.123 0.000 2.607 806 N HA 0.209 4.949 4.740 -0.000 0.000 0.207 806 N C 0.852 176.424 175.510 0.102 0.000 1.040 806 N CA 1.136 54.254 53.050 0.113 0.000 0.947 806 N CB 0.081 38.646 38.487 0.131 0.000 1.293 806 N HN 0.507 nan 8.380 nan 0.000 0.446 807 E N 0.225 120.477 120.200 0.087 0.000 2.446 807 E HA 0.593 4.943 4.350 -0.000 0.000 0.251 807 E C -0.718 175.910 176.600 0.047 0.000 1.087 807 E CA -0.504 55.900 56.400 0.006 0.000 0.937 807 E CB 1.576 31.104 29.700 -0.286 0.000 1.254 807 E HN -0.019 nan 8.360 nan 0.000 0.479 808 L N 1.705 122.908 121.223 -0.032 0.000 2.541 808 L HA 0.399 4.739 4.340 -0.000 0.000 0.266 808 L C -1.553 175.319 176.870 0.003 0.000 0.966 808 L CA -0.471 54.414 54.840 0.075 0.000 0.871 808 L CB 0.684 42.767 42.059 0.040 0.000 1.232 808 L HN 0.396 nan 8.230 nan 0.000 0.408 809 F N 4.163 124.123 119.950 0.016 0.000 2.399 809 F HA 0.498 5.025 4.527 -0.000 0.000 0.334 809 F C -0.064 175.832 175.800 0.160 0.000 1.097 809 F CA -0.719 57.321 58.000 0.066 0.000 1.076 809 F CB 1.568 40.554 39.000 -0.023 0.000 1.162 809 F HN 0.169 nan 8.300 nan 0.000 0.495 810 L N 4.090 125.517 121.223 0.339 0.000 2.401 810 L HA 0.349 4.689 4.340 -0.000 0.000 0.263 810 L C -1.693 175.404 176.870 0.379 0.000 1.004 810 L CA -0.613 54.409 54.840 0.304 0.000 0.881 810 L CB 0.581 42.742 42.059 0.170 0.000 1.219 810 L HN 0.670 nan 8.230 nan 0.000 0.441 811 W N 6.957 128.435 121.300 0.297 0.000 2.316 811 W HA 0.555 5.215 4.660 -0.000 0.000 0.308 811 W C -0.517 176.174 176.519 0.287 0.000 1.106 811 W CA -0.690 56.839 57.345 0.307 0.000 1.262 811 W CB 1.195 30.910 29.460 0.425 0.000 1.233 811 W HN 0.471 nan 8.180 nan 0.000 0.447 812 M N 6.650 126.207 119.600 -0.072 0.000 2.167 812 M HA 0.450 4.930 4.480 -0.000 0.000 0.333 812 M C 0.740 176.731 176.300 -0.514 0.000 1.030 812 M CA -0.361 54.868 55.300 -0.119 0.000 0.963 812 M CB 0.745 33.297 32.600 -0.080 0.000 1.589 812 M HN 0.574 nan 8.290 nan 0.000 0.431 813 G N 2.744 111.373 108.800 -0.285 0.000 2.287 813 G HA2 0.133 4.093 3.960 -0.000 0.000 0.235 813 G HA3 0.133 4.093 3.960 -0.000 0.000 0.235 813 G C 0.851 175.605 174.900 -0.242 0.000 1.258 813 G CA 0.072 44.998 45.100 -0.290 0.000 0.884 813 G HN 1.106 nan 8.290 nan 0.000 0.518 814 G N 0.592 109.259 108.800 -0.222 0.000 2.535 814 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.218 814 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.218 814 G C 0.509 175.390 174.900 -0.032 0.000 1.122 814 G CA 0.628 45.655 45.100 -0.121 0.000 0.769 814 G HN 0.609 nan 8.290 nan 0.000 0.549 815 D N 0.356 120.769 120.400 0.022 0.000 2.613 815 D HA 0.488 5.128 4.640 -0.000 0.000 0.312 815 D C -0.066 176.290 176.300 0.093 0.000 1.202 815 D CA -0.083 53.951 54.000 0.056 0.000 0.825 815 D CB 1.118 41.967 40.800 0.081 0.000 1.113 815 D HN 0.215 nan 8.370 nan 0.000 0.502 816 A N 0.444 123.293 122.820 0.049 0.000 2.311 816 A HA 0.618 4.938 4.320 -0.000 0.000 0.334 816 A C 0.440 178.025 177.584 0.003 0.000 1.139 816 A CA -0.563 51.507 52.037 0.055 0.000 0.830 816 A CB 1.193 20.202 19.000 0.015 0.000 1.234 816 A HN 0.121 nan 8.150 nan 0.000 0.483 817 V N 1.697 121.595 119.914 -0.026 0.000 2.788 817 V HA 0.031 4.151 4.120 -0.000 0.000 0.307 817 V C -1.502 174.554 176.094 -0.064 0.000 1.069 817 V CA -0.095 62.166 62.300 -0.064 0.000 1.173 817 V CB 0.529 32.280 31.823 -0.121 0.000 0.925 817 V HN 0.810 nan 8.190 nan 0.000 0.492 818 P HA -0.046 nan 4.420 nan 0.000 0.240 818 P C 0.842 178.161 177.300 0.032 0.000 1.186 818 P CA 0.834 63.941 63.100 0.012 0.000 0.755 818 P CB -0.003 31.717 31.700 0.034 0.000 0.870 819 A N -0.826 121.912 122.820 -0.137 0.000 2.250 819 A HA -0.042 4.278 4.320 -0.000 0.000 0.208 819 A C 1.715 179.191 177.584 -0.179 0.000 1.254 819 A CA 0.471 52.199 52.037 -0.515 0.000 0.858 819 A CB -1.264 17.122 19.000 -1.023 0.000 0.820 819 A HN 0.214 nan 8.150 nan 0.000 0.484 820 L N -1.114 120.136 121.223 0.045 0.000 2.093 820 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 820 L C 2.230 179.251 176.870 0.251 0.000 1.085 820 L CA 0.869 55.777 54.840 0.114 0.000 0.755 820 L CB -0.944 41.155 42.059 0.068 0.000 0.904 820 L HN 0.243 nan 8.230 nan 0.000 0.435 821 V N -0.126 119.976 119.914 0.313 0.000 2.636 821 V HA -0.254 3.866 4.120 -0.000 0.000 0.258 821 V C 1.407 177.694 176.094 0.322 0.000 1.092 821 V CA 1.289 63.752 62.300 0.270 0.000 1.110 821 V CB -1.032 30.916 31.823 0.207 0.000 0.685 821 V HN 0.065 nan 8.190 nan 0.000 0.481 849 N N 1.421 120.136 118.700 0.025 0.000 2.192 849 N HA -0.271 4.469 4.740 -0.000 0.000 0.188 849 N C 1.648 177.061 175.510 -0.162 0.000 1.013 849 N CA 2.102 55.089 53.050 -0.105 0.000 0.863 849 N CB -0.140 38.355 38.487 0.013 0.000 0.990 849 N HN 0.612 nan 8.380 nan 0.000 0.430 850 Q N 0.957 120.697 119.800 -0.099 0.000 2.124 850 Q HA -0.052 4.288 4.340 -0.000 0.000 0.202 850 Q C 2.130 178.050 176.000 -0.134 0.000 0.977 850 Q CA 1.375 57.127 55.803 -0.086 0.000 0.850 850 Q CB -0.014 28.699 28.738 -0.041 0.000 0.901 850 Q HN 0.333 nan 8.270 nan 0.000 0.429 851 R N -0.894 119.487 120.500 -0.199 0.000 2.096 851 R HA -0.131 4.209 4.340 -0.000 0.000 0.229 851 R C 2.295 178.433 176.300 -0.269 0.000 1.134 851 R CA 1.797 57.763 56.100 -0.224 0.000 0.917 851 R CB -0.877 29.262 30.300 -0.267 0.000 0.832 851 R HN 0.167 nan 8.270 nan 0.000 0.430 852 V N 1.303 120.959 119.914 -0.430 0.000 2.282 852 V HA -0.314 3.806 4.120 -0.000 0.000 0.249 852 V C 2.403 178.387 176.094 -0.184 0.000 1.057 852 V CA 1.936 64.049 62.300 -0.310 0.000 1.032 852 V CB -0.584 31.033 31.823 -0.343 0.000 0.645 852 V HN 0.351 nan 8.190 nan 0.000 0.447 853 R N -0.262 120.141 120.500 -0.161 0.000 2.096 853 R HA -0.153 4.187 4.340 -0.000 0.000 0.235 853 R C 2.224 178.469 176.300 -0.091 0.000 1.127 853 R CA 1.716 57.757 56.100 -0.099 0.000 0.968 853 R CB -0.403 29.851 30.300 -0.077 0.000 0.861 853 R HN 0.541 nan 8.270 nan 0.000 0.440 854 N N 0.601 119.239 118.700 -0.104 0.000 2.058 854 N HA -0.101 4.639 4.740 -0.000 0.000 0.191 854 N C 1.720 177.172 175.510 -0.096 0.000 1.037 854 N CA 1.191 54.190 53.050 -0.086 0.000 0.848 854 N CB -0.120 38.318 38.487 -0.081 0.000 1.021 854 N HN 0.098 nan 8.380 nan 0.000 0.422 855 I N 0.696 121.191 120.570 -0.125 0.000 2.069 855 I HA -0.303 3.867 4.170 -0.000 0.000 0.237 855 I C 1.974 178.003 176.117 -0.148 0.000 1.053 855 I CA 1.172 62.379 61.300 -0.154 0.000 1.311 855 I CB -0.400 37.479 38.000 -0.203 0.000 1.030 855 I HN 0.155 nan 8.210 nan 0.000 0.398 856 I N 0.898 121.390 120.570 -0.130 0.000 2.185 856 I HA -0.367 3.803 4.170 -0.000 0.000 0.246 856 I C 2.276 178.335 176.117 -0.095 0.000 1.088 856 I CA 1.463 62.700 61.300 -0.105 0.000 1.347 856 I CB -0.589 37.366 38.000 -0.075 0.000 1.041 856 I HN 0.387 nan 8.210 nan 0.000 0.415 857 N N 0.376 119.030 118.700 -0.078 0.000 2.166 857 N HA -0.246 4.494 4.740 -0.000 0.000 0.186 857 N C 1.791 177.248 175.510 -0.088 0.000 1.019 857 N CA 1.264 54.278 53.050 -0.059 0.000 0.856 857 N CB -0.340 38.123 38.487 -0.040 0.000 0.993 857 N HN 0.392 nan 8.380 nan 0.000 0.426 858 Q N 1.376 121.116 119.800 -0.099 0.000 1.975 858 Q HA 0.017 4.357 4.340 -0.000 0.000 0.205 858 Q C 1.942 177.842 176.000 -0.166 0.000 0.990 858 Q CA 1.293 57.030 55.803 -0.110 0.000 0.845 858 Q CB -0.561 28.125 28.738 -0.088 0.000 0.913 858 Q HN 0.350 nan 8.270 nan 0.000 0.420 859 L N 0.008 121.156 121.223 -0.125 0.000 2.556 859 L HA -0.183 4.157 4.340 -0.000 0.000 0.230 859 L C 2.221 179.015 176.870 -0.128 0.000 1.163 859 L CA 1.000 55.803 54.840 -0.061 0.000 0.819 859 L CB -0.330 41.721 42.059 -0.013 0.000 0.939 859 L HN 0.199 nan 8.230 nan 0.000 0.452 860 R N -0.820 119.536 120.500 -0.240 0.000 2.119 860 R HA 0.123 4.463 4.340 -0.000 0.000 0.202 860 R C 0.518 176.648 176.300 -0.284 0.000 1.114 860 R CA -0.162 55.808 56.100 -0.217 0.000 1.089 860 R CB 0.214 30.400 30.300 -0.191 0.000 1.000 860 R HN 0.243 nan 8.270 nan 0.000 0.487 861 N N 2.400 120.956 118.700 -0.240 0.000 2.406 861 N HA 0.002 4.742 4.740 -0.000 0.000 0.274 861 N C -0.836 174.533 175.510 -0.234 0.000 1.249 861 N CA 0.750 53.718 53.050 -0.136 0.000 0.951 861 N CB 0.338 38.793 38.487 -0.053 0.000 1.241 861 N HN 0.232 nan 8.380 nan 0.000 0.485 862 H N 0.428 119.581 119.070 0.140 0.000 2.731 862 H HA 0.184 4.740 4.556 -0.000 0.000 0.368 862 H C 0.555 175.998 175.328 0.191 0.000 1.168 862 H CA -0.535 55.619 56.048 0.176 0.000 1.181 862 H CB 2.082 31.965 29.762 0.202 0.000 1.743 862 H HN 0.518 nan 8.280 nan 0.000 0.547 863 D N -0.271 120.344 120.400 0.359 0.000 2.433 863 D HA -0.060 4.580 4.640 -0.000 0.000 0.211 863 D C 0.216 176.732 176.300 0.360 0.000 1.114 863 D CA 0.028 54.234 54.000 0.343 0.000 0.837 863 D CB 0.425 41.377 40.800 0.253 0.000 0.984 863 D HN 0.568 nan 8.370 nan 0.000 0.505 864 D N 0.682 121.276 120.400 0.323 0.000 2.433 864 D HA 0.062 4.702 4.640 -0.000 0.000 0.211 864 D C 1.000 177.364 176.300 0.107 0.000 1.114 864 D CA -0.106 54.035 54.000 0.235 0.000 0.837 864 D CB 0.769 41.723 40.800 0.257 0.000 0.984 864 D HN 0.219 nan 8.370 nan 0.000 0.505 865 V N -1.913 118.042 119.914 0.070 0.000 3.206 865 V HA 0.461 4.581 4.120 -0.000 0.000 0.305 865 V C 1.049 177.176 176.094 0.055 0.000 1.257 865 V CA -1.061 61.213 62.300 -0.044 0.000 1.057 865 V CB 1.785 33.392 31.823 -0.360 0.000 1.075 865 V HN -0.035 nan 8.190 nan 0.000 0.443 866 I N -2.417 118.190 120.570 0.060 0.000 3.462 866 I HA 0.263 4.433 4.170 -0.000 0.000 0.290 866 I C 1.062 177.258 176.117 0.132 0.000 1.236 866 I CA 0.295 61.663 61.300 0.114 0.000 1.418 866 I CB -0.111 37.961 38.000 0.119 0.000 1.102 866 I HN 0.695 nan 8.210 nan 0.000 0.441 867 T N 2.286 116.889 114.554 0.082 0.000 2.772 867 T HA -0.227 4.123 4.350 -0.000 0.000 0.268 867 T C -0.845 173.990 174.700 0.226 0.000 1.025 867 T CA 1.030 63.199 62.100 0.116 0.000 1.139 867 T CB -0.262 68.621 68.868 0.025 0.000 1.053 867 T HN 0.442 nan 8.240 nan 0.000 0.483 868 Y N 3.005 123.383 120.300 0.130 0.000 2.327 868 Y HA 0.255 4.805 4.550 -0.000 0.000 0.325 868 Y C -0.163 175.824 175.900 0.145 0.000 0.999 868 Y CA -1.117 57.067 58.100 0.139 0.000 1.195 868 Y CB 0.935 39.482 38.460 0.145 0.000 1.132 868 Y HN 0.485 nan 8.280 nan 0.000 0.455 869 Q N 4.059 123.571 119.800 -0.479 0.000 2.262 869 Q HA 0.102 4.442 4.340 -0.000 0.000 0.272 869 Q C -0.312 175.489 176.000 -0.332 0.000 1.076 869 Q CA 0.216 55.843 55.803 -0.292 0.000 0.905 869 Q CB 1.120 29.740 28.738 -0.195 0.000 1.182 869 Q HN 0.614 nan 8.270 nan 0.000 0.390 870 S N 3.025 118.736 115.700 0.018 0.000 2.439 870 S HA 0.222 4.692 4.470 -0.000 0.000 0.282 870 S C -0.098 174.583 174.600 0.134 0.000 1.170 870 S CA -0.605 57.679 58.200 0.140 0.000 1.054 870 S CB 0.240 63.615 63.200 0.292 0.000 0.956 870 S HN 0.402 nan 8.310 nan 0.000 0.490 871 L N 5.325 126.554 121.223 0.010 0.000 2.439 871 L HA 0.370 4.710 4.340 -0.000 0.000 0.269 871 L C -1.415 175.383 176.870 -0.120 0.000 1.179 871 L CA 0.390 55.228 54.840 -0.005 0.000 0.828 871 L CB 0.084 42.126 42.059 -0.029 0.000 1.106 871 L HN 0.569 nan 8.230 nan 0.000 0.467 872 Y N 5.338 125.471 120.300 -0.280 0.000 2.333 872 Y HA 0.457 5.007 4.550 -0.000 0.000 0.324 872 Y C -0.177 175.642 175.900 -0.134 0.000 1.033 872 Y CA -0.717 57.206 58.100 -0.296 0.000 1.224 872 Y CB 0.959 38.994 38.460 -0.708 0.000 1.120 872 Y HN 0.391 nan 8.280 nan 0.000 0.457 873 I N 4.573 125.167 120.570 0.041 0.000 2.474 873 I HA 0.474 4.643 4.170 -0.000 0.000 0.287 873 I C -0.279 175.894 176.117 0.093 0.000 1.048 873 I CA -0.611 60.733 61.300 0.074 0.000 1.383 873 I CB 0.662 38.679 38.000 0.028 0.000 1.412 873 I HN 0.222 nan 8.210 nan 0.000 0.531 874 V N 3.911 123.883 119.914 0.097 0.000 3.130 874 V HA 0.774 4.894 4.120 -0.000 0.000 0.310 874 V C 0.296 176.278 176.094 -0.187 0.000 1.158 874 V CA -0.936 61.380 62.300 0.027 0.000 1.029 874 V CB 1.556 33.474 31.823 0.158 0.000 1.057 874 V HN 0.868 nan 8.190 nan 0.000 0.436 889 R N -0.104 120.412 120.500 0.026 0.000 2.167 889 R HA 0.159 4.499 4.340 -0.000 0.000 0.195 889 R C 1.987 178.312 176.300 0.041 0.000 1.027 889 R CA 0.797 56.915 56.100 0.030 0.000 1.114 889 R CB -0.005 30.309 30.300 0.022 0.000 1.075 889 R HN 0.580 nan 8.270 nan 0.000 0.538 890 E N 1.107 121.332 120.200 0.041 0.000 2.038 890 E HA -0.173 4.177 4.350 -0.000 0.000 0.195 890 E C 1.708 178.356 176.600 0.079 0.000 1.000 890 E CA 1.845 58.279 56.400 0.057 0.000 0.803 890 E CB 0.045 29.773 29.700 0.047 0.000 0.750 890 E HN 0.033 nan 8.360 nan 0.000 0.448 891 V N 1.367 121.319 119.914 0.064 0.000 2.469 891 V HA -0.261 3.859 4.120 -0.000 0.000 0.251 891 V C 2.508 178.657 176.094 0.091 0.000 1.064 891 V CA 1.702 64.046 62.300 0.072 0.000 1.066 891 V CB -0.963 30.883 31.823 0.038 0.000 0.667 891 V HN 0.495 nan 8.190 nan 0.000 0.461 892 A N 0.237 123.102 122.820 0.075 0.000 1.902 892 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 892 A C 2.419 180.064 177.584 0.100 0.000 1.181 892 A CA 2.465 54.549 52.037 0.077 0.000 0.623 892 A CB -0.881 18.151 19.000 0.053 0.000 0.818 892 A HN 0.517 nan 8.150 nan 0.000 0.443 893 T N 0.406 115.024 114.554 0.107 0.000 2.737 893 T HA -0.042 4.308 4.350 -0.000 0.000 0.265 893 T C 1.842 176.687 174.700 0.240 0.000 1.038 893 T CA 1.294 63.472 62.100 0.129 0.000 1.144 893 T CB -0.404 68.520 68.868 0.094 0.000 0.866 893 T HN 0.327 nan 8.240 nan 0.000 0.434 894 L N 0.371 121.757 121.223 0.273 0.000 2.081 894 L HA -0.166 4.174 4.340 -0.000 0.000 0.212 894 L C 2.934 180.017 176.870 0.354 0.000 1.080 894 L CA 1.468 56.542 54.840 0.390 0.000 0.754 894 L CB -0.410 41.835 42.059 0.310 0.000 0.893 894 L HN 0.208 nan 8.230 nan 0.000 0.433 895 R N -0.572 120.078 120.500 0.249 0.000 2.064 895 R HA -0.188 4.152 4.340 -0.000 0.000 0.228 895 R C 2.200 178.590 176.300 0.149 0.000 1.144 895 R CA 1.380 57.610 56.100 0.217 0.000 0.932 895 R CB -0.683 29.724 30.300 0.177 0.000 0.833 895 R HN 0.129 nan 8.270 nan 0.000 0.429 896 L N 0.341 121.644 121.223 0.133 0.000 2.081 896 L HA -0.219 4.121 4.340 -0.000 0.000 0.212 896 L C 1.965 178.916 176.870 0.136 0.000 1.080 896 L CA 1.722 56.615 54.840 0.089 0.000 0.754 896 L CB -0.522 41.582 42.059 0.074 0.000 0.893 896 L HN 0.307 nan 8.230 nan 0.000 0.433 897 W N 0.308 121.601 121.300 -0.011 0.000 2.381 897 W HA -0.123 4.537 4.660 -0.000 0.000 0.321 897 W C 2.511 178.933 176.519 -0.162 0.000 1.196 897 W CA 2.162 59.489 57.345 -0.031 0.000 1.304 897 W CB -1.120 28.387 29.460 0.079 0.000 1.166 897 W HN 0.248 nan 8.180 nan 0.000 0.473 898 A N -0.237 122.492 122.820 -0.152 0.000 1.978 898 A HA -0.244 4.076 4.320 -0.000 0.000 0.220 898 A C 2.193 179.429 177.584 -0.579 0.000 1.170 898 A CA 2.500 54.084 52.037 -0.755 0.000 0.636 898 A CB -1.414 17.468 19.000 -0.197 0.000 0.810 898 A HN 0.322 nan 8.150 nan 0.000 0.448 899 S N 0.206 115.719 115.700 -0.312 0.000 2.399 899 S HA -0.145 4.325 4.470 -0.000 0.000 0.231 899 S C 2.145 176.562 174.600 -0.304 0.000 1.022 899 S CA 1.941 59.944 58.200 -0.329 0.000 0.983 899 S CB -0.474 62.620 63.200 -0.176 0.000 0.803 899 S HN 0.895 nan 8.310 nan 0.000 0.480 900 S N 0.336 115.903 115.700 -0.222 0.000 2.561 900 S HA -0.036 4.434 4.470 -0.000 0.000 0.225 900 S C 1.724 176.169 174.600 -0.258 0.000 0.977 900 S CA 1.084 59.178 58.200 -0.176 0.000 0.926 900 S CB -0.786 62.387 63.200 -0.045 0.000 0.769 900 S HN 0.723 nan 8.310 nan 0.000 0.533 901 T N 0.140 114.447 114.554 -0.411 0.000 3.088 901 T HA 0.263 4.613 4.350 -0.000 0.000 0.259 901 T C 0.743 175.201 174.700 -0.403 0.000 1.122 901 T CA -0.009 61.826 62.100 -0.441 0.000 1.095 901 T CB -0.630 67.843 68.868 -0.658 0.000 0.930 901 T HN 0.438 nan 8.240 nan 0.000 0.508 902 L N 3.344 124.328 121.223 -0.398 0.000 2.598 902 L HA 0.321 4.661 4.340 -0.000 0.000 0.241 902 L C 1.502 178.204 176.870 -0.281 0.000 1.244 902 L CA -0.681 53.935 54.840 -0.374 0.000 1.198 902 L CB 0.334 42.147 42.059 -0.409 0.000 1.448 902 L HN 0.125 nan 8.230 nan 0.000 0.406 903 V N -2.432 117.315 119.914 -0.278 0.000 3.244 903 V HA -0.198 3.922 4.120 -0.000 0.000 0.273 903 V C 1.642 177.706 176.094 -0.052 0.000 1.180 903 V CA 1.303 63.496 62.300 -0.178 0.000 1.182 903 V CB -0.844 30.869 31.823 -0.184 0.000 0.796 903 V HN 0.724 nan 8.190 nan 0.000 0.543 904 E N 0.256 120.430 120.200 -0.043 0.000 2.250 904 E HA 0.008 4.357 4.350 -0.000 0.000 0.192 904 E C 0.591 177.252 176.600 0.102 0.000 0.986 904 E CA 0.457 56.913 56.400 0.093 0.000 0.849 904 E CB 0.165 29.922 29.700 0.095 0.000 0.797 904 E HN 0.769 nan 8.360 nan 0.000 0.482 905 D N 0.970 121.374 120.400 0.007 0.000 2.414 905 D HA 0.016 4.656 4.640 -0.000 0.000 0.259 905 D C 0.187 176.501 176.300 0.023 0.000 1.269 905 D CA -0.083 53.915 54.000 -0.004 0.000 1.028 905 D CB 0.489 41.243 40.800 -0.075 0.000 1.093 905 D HN -0.145 nan 8.370 nan 0.000 0.545 906 K N 1.083 121.488 120.400 0.008 0.000 2.273 906 K HA 0.239 4.559 4.320 -0.000 0.000 0.287 906 K C -0.981 175.611 176.600 -0.013 0.000 1.089 906 K CA -0.211 56.087 56.287 0.018 0.000 0.909 906 K CB -0.002 32.507 32.500 0.014 0.000 1.123 906 K HN 0.244 nan 8.250 nan 0.000 0.473 907 I N 4.302 124.861 120.570 -0.019 0.000 2.934 907 I HA 0.203 4.373 4.170 -0.000 0.000 0.306 907 I C 0.615 176.710 176.117 -0.037 0.000 1.110 907 I CA -1.116 60.158 61.300 -0.044 0.000 1.019 907 I CB 1.539 39.492 38.000 -0.079 0.000 1.227 907 I HN 0.720 nan 8.210 nan 0.000 0.434 908 L N 4.565 125.766 121.223 -0.036 0.000 3.678 908 L HA -0.313 4.027 4.340 -0.000 0.000 0.425 908 L C 0.757 177.618 176.870 -0.016 0.000 1.240 908 L CA 0.223 55.046 54.840 -0.029 0.000 0.876 908 L CB -1.824 40.212 42.059 -0.038 0.000 1.766 908 L HN 0.800 nan 8.230 nan 0.000 0.917 909 N N -1.874 116.821 118.700 -0.009 0.000 2.809 909 N HA -0.225 4.515 4.740 -0.000 0.000 0.244 909 N C 0.545 176.062 175.510 0.012 0.000 1.018 909 N CA 1.520 54.571 53.050 0.002 0.000 0.917 909 N CB -0.684 37.804 38.487 0.003 0.000 1.130 909 N HN 0.728 nan 8.380 nan 0.000 0.591 910 N N 1.722 120.426 118.700 0.007 0.000 2.515 910 N HA 0.062 4.802 4.740 -0.000 0.000 0.279 910 N C 0.220 175.766 175.510 0.060 0.000 1.164 910 N CA -0.024 53.039 53.050 0.022 0.000 0.982 910 N CB 0.899 39.372 38.487 -0.023 0.000 1.170 910 N HN 0.009 nan 8.380 nan 0.000 0.474 911 E N 0.276 120.544 120.200 0.113 0.000 2.455 911 E HA -0.022 4.328 4.350 -0.000 0.000 0.259 911 E C 0.191 176.898 176.600 0.178 0.000 1.245 911 E CA 0.157 56.638 56.400 0.136 0.000 1.013 911 E CB 0.249 30.049 29.700 0.167 0.000 0.978 911 E HN 0.628 nan 8.360 nan 0.000 0.479 912 S N -0.343 115.430 115.700 0.122 0.000 2.713 912 S HA 0.151 4.621 4.470 -0.000 0.000 0.283 912 S C 0.883 175.535 174.600 0.087 0.000 1.161 912 S CA -0.677 57.601 58.200 0.130 0.000 0.999 912 S CB 0.533 63.773 63.200 0.066 0.000 1.039 912 S HN 0.539 nan 8.310 nan 0.000 0.548 913 Y N 1.544 121.818 120.300 -0.042 0.000 2.181 913 Y HA -0.065 4.485 4.550 -0.000 0.000 0.288 913 Y C 2.436 178.296 175.900 -0.067 0.000 1.146 913 Y CA 1.529 59.521 58.100 -0.180 0.000 1.164 913 Y CB -0.537 37.912 38.460 -0.019 0.000 0.982 913 Y HN 0.718 nan 8.280 nan 0.000 0.515 914 R N -0.198 120.197 120.500 -0.175 0.000 2.083 914 R HA -0.208 4.132 4.340 -0.000 0.000 0.237 914 R C 2.199 178.384 176.300 -0.191 0.000 1.137 914 R CA 1.708 57.660 56.100 -0.246 0.000 0.951 914 R CB -0.357 29.877 30.300 -0.110 0.000 0.851 914 R HN 0.244 nan 8.270 nan 0.000 0.434 915 E N 0.319 120.465 120.200 -0.090 0.000 2.150 915 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 915 E C 1.460 178.038 176.600 -0.038 0.000 0.985 915 E CA 0.950 57.320 56.400 -0.050 0.000 0.814 915 E CB -0.262 29.440 29.700 0.004 0.000 0.752 915 E HN 0.203 nan 8.360 nan 0.000 0.466 916 F N 0.985 120.787 119.950 -0.248 0.000 2.025 916 F HA -0.197 4.330 4.527 -0.000 0.000 0.297 916 F C 1.847 177.513 175.800 -0.223 0.000 1.132 916 F CA 1.824 59.669 58.000 -0.259 0.000 1.191 916 F CB -0.823 37.880 39.000 -0.494 0.000 0.963 916 F HN 0.068 nan 8.300 nan 0.000 0.481 917 L N -0.081 120.889 121.223 -0.422 0.000 2.043 917 L HA -0.282 4.058 4.340 -0.000 0.000 0.212 917 L C 2.635 179.320 176.870 -0.309 0.000 1.075 917 L CA 1.341 55.909 54.840 -0.452 0.000 0.752 917 L CB -1.024 40.776 42.059 -0.432 0.000 0.891 917 L HN 0.223 nan 8.230 nan 0.000 0.432 918 Q N 0.026 119.690 119.800 -0.226 0.000 2.096 918 Q HA -0.165 4.175 4.340 -0.000 0.000 0.204 918 Q C 2.304 178.222 176.000 -0.137 0.000 0.982 918 Q CA 1.709 57.421 55.803 -0.151 0.000 0.850 918 Q CB -0.346 28.328 28.738 -0.107 0.000 0.901 918 Q HN 0.586 nan 8.270 nan 0.000 0.422 919 I N 0.019 120.504 120.570 -0.142 0.000 2.163 919 I HA -0.268 3.902 4.170 -0.000 0.000 0.240 919 I C 2.298 178.320 176.117 -0.159 0.000 1.081 919 I CA 0.831 62.064 61.300 -0.111 0.000 1.353 919 I CB -0.329 37.639 38.000 -0.053 0.000 1.054 919 I HN 0.180 nan 8.210 nan 0.000 0.407 920 M N 0.686 120.113 119.600 -0.289 0.000 2.073 920 M HA -0.267 4.213 4.480 -0.000 0.000 0.258 920 M C 2.315 178.504 176.300 -0.184 0.000 1.070 920 M CA 1.795 56.919 55.300 -0.293 0.000 1.103 920 M CB -1.252 31.057 32.600 -0.486 0.000 1.321 920 M HN 0.192 nan 8.290 nan 0.000 0.405 921 K N 0.045 120.336 120.400 -0.181 0.000 2.015 921 K HA -0.197 4.123 4.320 -0.000 0.000 0.216 921 K C 1.968 178.515 176.600 -0.087 0.000 1.052 921 K CA 2.099 58.314 56.287 -0.120 0.000 0.937 921 K CB -0.200 32.231 32.500 -0.115 0.000 0.719 921 K HN 0.250 nan 8.250 nan 0.000 0.446 922 A N 1.575 124.345 122.820 -0.083 0.000 1.892 922 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 922 A C 2.119 179.673 177.584 -0.050 0.000 1.188 922 A CA 1.974 53.976 52.037 -0.058 0.000 0.631 922 A CB -0.639 18.330 19.000 -0.052 0.000 0.822 922 A HN 0.445 nan 8.150 nan 0.000 0.447 923 R N -0.079 120.386 120.500 -0.058 0.000 2.083 923 R HA -0.140 4.200 4.340 -0.000 0.000 0.237 923 R C 2.219 178.498 176.300 -0.036 0.000 1.137 923 R CA 1.824 57.898 56.100 -0.043 0.000 0.951 923 R CB -0.822 29.448 30.300 -0.050 0.000 0.851 923 R HN 0.833 nan 8.270 nan 0.000 0.434 924 I N -1.077 119.466 120.570 -0.045 0.000 2.617 924 I HA 0.027 4.197 4.170 -0.000 0.000 0.256 924 I C 0.319 176.421 176.117 -0.025 0.000 1.167 924 I CA 0.379 61.662 61.300 -0.029 0.000 1.469 924 I CB -0.047 37.936 38.000 -0.029 0.000 1.098 924 I HN -0.176 nan 8.210 nan 0.000 0.436 925 S N 2.181 117.863 115.700 -0.031 0.000 2.562 925 S HA 0.177 4.647 4.470 -0.000 0.000 0.281 925 S C 0.280 174.868 174.600 -0.021 0.000 1.333 925 S CA -0.442 57.742 58.200 -0.026 0.000 1.052 925 S CB 0.742 63.923 63.200 -0.031 0.000 0.884 925 S HN 0.282 nan 8.310 nan 0.000 0.506 926 K N 0.000 120.389 120.400 -0.018 0.000 2.780 926 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 926 K CA 0.000 56.278 56.287 -0.014 0.000 0.838 926 K CB 0.000 32.492 32.500 -0.014 0.000 1.064 926 K HN 0.000 nan 8.250 nan 0.000 0.543