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 2oqx_1_A DATA FIRST_RESID 5 DATA SEQUENCE KHLPEPFRIR VIEPVKRTTR AYREEAIIKS GMNPFLLDSE DVFIDLLTDS DATA SEQUENCE GTGAVTQSMQ AAMMRGDEAY SGSRSYYALA ESVKNIFGYQ YTIPTHXXRG DATA SEQUENCE AEQIYIPVLI KKREQEKGLD RSKMVAFSNY FFDTTQGHSQ INGCTVRNVY DATA SEQUENCE IKEAFDTGVR YDFKGNFDLE GLERGIEEVG PNNVPYIVAT ITSNSAGGQP DATA SEQUENCE VSLANLKAMY SIAKKYDIPV VMDSARFAEN AYFIKQREAE YKDWTIEQIT DATA SEQUENCE RETYKYADML AMSAKKDAMV PMGGLLCMKD DSFFDVYTEC RTLXVVQEGF DATA SEQUENCE PTYGGLEGGA MERLAVGLYD GMNLDWLAYR IAQVQYLVDG LEEIGVVXQQ DATA SEQUENCE AGGHAAFVDA GKLLPHIPAD QFPAQALACE LYKVAGIRAV EIGSFLLGRD DATA SEQUENCE PKTGKQLPCP AELLRLTIPR ATYTQTHMDF IIEAFKHVKE NAANIKGLTF DATA SEQUENCE TYEPKVLRHF TAKLKEV 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 5 K HA 0.000 nan 4.320 nan 0.000 0.191 5 K C 0.000 176.680 176.600 0.133 0.000 0.988 5 K CA 0.000 56.400 56.287 0.189 0.000 0.838 5 K CB 0.000 32.558 32.500 0.097 0.000 1.064 6 H N 4.628 123.666 119.070 -0.052 0.000 2.800 6 H HA 0.392 4.948 4.556 -0.000 0.000 0.291 6 H C -0.137 175.112 175.328 -0.132 0.000 1.076 6 H CA -0.258 55.615 56.048 -0.290 0.000 1.452 6 H CB 0.511 29.801 29.762 -0.786 0.000 1.461 6 H HN 0.467 nan 8.280 nan 0.000 0.488 7 L N 7.652 128.849 121.223 -0.043 0.000 2.452 7 L HA 0.254 4.593 4.340 -0.000 0.000 0.267 7 L C -1.764 175.286 176.870 0.301 0.000 1.188 7 L CA -2.002 52.904 54.840 0.110 0.000 0.821 7 L CB 0.594 42.700 42.059 0.079 0.000 1.102 7 L HN 0.639 nan 8.230 nan 0.000 0.470 8 P HA 0.102 nan 4.420 nan 0.000 0.274 8 P C -1.042 176.195 177.300 -0.106 0.000 1.231 8 P CA -0.580 62.553 63.100 0.056 0.000 0.790 8 P CB 0.738 32.425 31.700 -0.022 0.000 0.951 9 E N 3.280 123.225 120.200 -0.426 0.000 2.480 9 E HA 0.055 4.405 4.350 -0.000 0.000 0.258 9 E C -1.561 174.501 176.600 -0.896 0.000 0.984 9 E CA -0.996 54.675 56.400 -1.215 0.000 0.930 9 E CB -0.369 28.327 29.700 -1.675 0.000 0.936 9 E HN 0.339 nan 8.360 nan 0.000 0.466 10 P HA 0.130 nan 4.420 nan 0.000 0.214 10 P C -1.217 176.052 177.300 -0.050 0.000 1.807 10 P CA -0.135 62.833 63.100 -0.221 0.000 0.921 10 P CB -0.661 31.033 31.700 -0.010 0.000 1.835 11 F N -2.833 117.046 119.950 -0.118 0.000 2.829 11 F HA 0.507 5.034 4.527 -0.000 0.000 0.319 11 F C -1.331 174.415 175.800 -0.091 0.000 1.153 11 F CA -1.591 56.349 58.000 -0.101 0.000 0.912 11 F CB 0.784 39.709 39.000 -0.126 0.000 1.292 11 F HN -0.332 nan 8.300 nan 0.000 0.447 12 R N 1.661 122.314 120.500 0.255 0.000 2.393 12 R HA 0.695 5.035 4.340 -0.000 0.000 0.310 12 R C -0.791 175.637 176.300 0.213 0.000 0.968 12 R CA -0.872 55.320 56.100 0.154 0.000 0.867 12 R CB 1.811 32.149 30.300 0.063 0.000 1.124 12 R HN 0.652 nan 8.270 nan 0.000 0.450 13 I N 3.484 124.169 120.570 0.191 0.000 2.618 13 I HA -0.013 4.157 4.170 -0.000 0.000 0.284 13 I C 1.320 177.460 176.117 0.039 0.000 1.146 13 I CA 0.325 61.697 61.300 0.120 0.000 1.425 13 I CB 0.583 38.650 38.000 0.111 0.000 1.383 13 I HN 0.522 nan 8.210 nan 0.000 0.562 14 R N 4.298 124.792 120.500 -0.009 0.000 2.310 14 R HA 0.339 4.679 4.340 -0.000 0.000 0.199 14 R C -0.494 175.790 176.300 -0.027 0.000 0.891 14 R CA 0.457 56.544 56.100 -0.021 0.000 1.060 14 R CB 0.592 30.869 30.300 -0.038 0.000 1.188 14 R HN 0.398 nan 8.270 nan 0.000 0.607 15 V N 3.422 123.310 119.914 -0.042 0.000 2.638 15 V HA 0.478 4.598 4.120 -0.000 0.000 0.306 15 V C -0.194 175.877 176.094 -0.039 0.000 1.052 15 V CA -1.043 61.233 62.300 -0.039 0.000 0.885 15 V CB 2.533 34.325 31.823 -0.051 0.000 0.999 15 V HN 0.143 nan 8.190 nan 0.000 0.424 16 I N 0.564 121.120 120.570 -0.024 0.000 2.740 16 I HA 0.767 4.936 4.170 -0.000 0.000 0.303 16 I C -0.500 175.608 176.117 -0.015 0.000 1.044 16 I CA -0.654 60.635 61.300 -0.018 0.000 1.064 16 I CB 2.365 40.368 38.000 0.005 0.000 1.249 16 I HN 0.761 nan 8.210 nan 0.000 0.433 17 E N 5.729 125.919 120.200 -0.018 0.000 2.102 17 E HA 0.493 4.843 4.350 -0.000 0.000 0.263 17 E C -2.438 174.173 176.600 0.017 0.000 0.894 17 E CA -1.895 54.501 56.400 -0.007 0.000 0.746 17 E CB 1.010 30.697 29.700 -0.021 0.000 1.129 17 E HN 0.517 nan 8.360 nan 0.000 0.416 18 P HA 0.009 nan 4.420 nan 0.000 0.265 18 P C -1.304 176.035 177.300 0.065 0.000 1.193 18 P CA -0.225 62.902 63.100 0.045 0.000 0.765 18 P CB 0.797 32.515 31.700 0.031 0.000 0.823 19 V N 3.541 123.517 119.914 0.104 0.000 2.577 19 V HA 0.243 4.363 4.120 -0.000 0.000 0.303 19 V C 0.242 176.413 176.094 0.128 0.000 1.042 19 V CA -0.916 61.471 62.300 0.145 0.000 0.872 19 V CB 1.730 33.693 31.823 0.233 0.000 0.998 19 V HN 0.558 nan 8.190 nan 0.000 0.423 20 K N 4.157 124.596 120.400 0.065 0.000 2.295 20 K HA 0.490 4.809 4.320 -0.000 0.000 0.270 20 K C -0.470 176.078 176.600 -0.086 0.000 1.011 20 K CA -0.689 55.586 56.287 -0.021 0.000 0.953 20 K CB 0.950 33.409 32.500 -0.068 0.000 0.956 20 K HN 0.324 nan 8.250 nan 0.000 0.477 21 R N 2.436 122.831 120.500 -0.175 0.000 2.202 21 R HA 0.156 4.496 4.340 -0.000 0.000 0.334 21 R C -0.126 176.026 176.300 -0.247 0.000 1.036 21 R CA -0.358 55.557 56.100 -0.309 0.000 0.878 21 R CB 0.933 31.046 30.300 -0.311 0.000 1.067 21 R HN 0.953 nan 8.270 nan 0.000 0.457 22 T N -1.316 113.093 114.554 -0.241 0.000 2.912 22 T HA 0.453 4.802 4.350 -0.000 0.000 0.280 22 T C 0.629 175.252 174.700 -0.127 0.000 0.989 22 T CA -0.707 61.259 62.100 -0.223 0.000 0.995 22 T CB 1.334 70.112 68.868 -0.149 0.000 1.077 22 T HN 0.511 nan 8.240 nan 0.000 0.531 23 T N -1.177 113.346 114.554 -0.052 0.000 2.902 23 T HA 0.419 4.768 4.350 -0.000 0.000 0.280 23 T C 1.181 175.895 174.700 0.023 0.000 0.992 23 T CA -0.903 61.191 62.100 -0.010 0.000 1.015 23 T CB 1.500 70.380 68.868 0.020 0.000 1.044 23 T HN 0.616 nan 8.240 nan 0.000 0.520 24 R N 1.267 121.760 120.500 -0.011 0.000 2.091 24 R HA 0.016 4.356 4.340 -0.000 0.000 0.238 24 R C 2.453 178.758 176.300 0.008 0.000 1.136 24 R CA 2.148 58.231 56.100 -0.029 0.000 0.959 24 R CB -1.487 28.788 30.300 -0.042 0.000 0.856 24 R HN 0.843 nan 8.270 nan 0.000 0.437 25 A N -0.613 122.227 122.820 0.033 0.000 1.902 25 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 25 A C 2.221 179.844 177.584 0.066 0.000 1.181 25 A CA 1.556 53.618 52.037 0.041 0.000 0.623 25 A CB -1.003 18.023 19.000 0.043 0.000 0.818 25 A HN 0.590 nan 8.150 nan 0.000 0.443 26 Y N 0.428 120.723 120.300 -0.008 0.000 2.145 26 Y HA -0.209 4.341 4.550 -0.000 0.000 0.286 26 Y C 2.568 178.491 175.900 0.039 0.000 1.145 26 Y CA 2.143 60.252 58.100 0.014 0.000 1.148 26 Y CB -0.196 38.268 38.460 0.007 0.000 0.981 26 Y HN 0.231 nan 8.280 nan 0.000 0.507 27 R N 0.009 120.605 120.500 0.160 0.000 2.092 27 R HA -0.138 4.201 4.340 -0.000 0.000 0.231 27 R C 2.090 178.437 176.300 0.078 0.000 1.119 27 R CA 1.339 57.488 56.100 0.081 0.000 0.970 27 R CB -0.263 29.886 30.300 -0.253 0.000 0.864 27 R HN 0.420 nan 8.270 nan 0.000 0.440 28 E N 0.987 121.198 120.200 0.017 0.000 2.085 28 E HA -0.205 4.144 4.350 -0.000 0.000 0.194 28 E C 1.823 178.429 176.600 0.010 0.000 0.994 28 E CA 1.321 57.734 56.400 0.022 0.000 0.801 28 E CB -0.005 29.698 29.700 0.006 0.000 0.743 28 E HN 0.479 nan 8.360 nan 0.000 0.453 29 E N 0.437 120.610 120.200 -0.045 0.000 2.107 29 E HA -0.084 4.266 4.350 -0.000 0.000 0.191 29 E C 2.047 178.589 176.600 -0.096 0.000 0.982 29 E CA 0.732 57.083 56.400 -0.081 0.000 0.809 29 E CB -0.040 29.579 29.700 -0.135 0.000 0.756 29 E HN 0.174 nan 8.360 nan 0.000 0.459 30 A N 1.393 124.139 122.820 -0.124 0.000 1.877 30 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 30 A C 2.183 179.775 177.584 0.013 0.000 1.186 30 A CA 1.113 53.106 52.037 -0.072 0.000 0.620 30 A CB -0.480 18.535 19.000 0.024 0.000 0.822 30 A HN 0.222 nan 8.150 nan 0.000 0.443 31 I N -0.063 120.574 120.570 0.111 0.000 2.454 31 I HA -0.170 4.000 4.170 -0.000 0.000 0.254 31 I C 2.033 178.166 176.117 0.025 0.000 1.156 31 I CA 0.985 62.324 61.300 0.065 0.000 1.433 31 I CB -0.178 37.934 38.000 0.186 0.000 1.082 31 I HN 0.377 nan 8.210 nan 0.000 0.432 32 I N -0.189 120.394 120.570 0.022 0.000 2.286 32 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 32 I C 2.310 178.430 176.117 0.006 0.000 1.104 32 I CA 1.005 62.312 61.300 0.013 0.000 1.397 32 I CB -0.423 37.581 38.000 0.006 0.000 1.072 32 I HN 0.102 nan 8.210 nan 0.000 0.417 33 K N 0.451 120.845 120.400 -0.009 0.000 2.147 33 K HA -0.077 4.242 4.320 -0.000 0.000 0.205 33 K C 1.811 178.413 176.600 0.003 0.000 1.049 33 K CA 1.297 57.577 56.287 -0.011 0.000 0.936 33 K CB -0.083 32.398 32.500 -0.031 0.000 0.722 33 K HN 0.154 nan 8.250 nan 0.000 0.446 34 S N -0.050 115.650 115.700 -0.000 0.000 2.671 34 S HA 0.091 4.560 4.470 -0.000 0.000 0.220 34 S C 0.725 175.352 174.600 0.046 0.000 0.951 34 S CA 0.478 58.687 58.200 0.015 0.000 0.932 34 S CB 0.522 63.709 63.200 -0.021 0.000 0.777 34 S HN 0.567 nan 8.310 nan 0.000 0.508 35 G N 2.678 111.504 108.800 0.044 0.000 2.295 35 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.287 35 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.287 35 G C 0.332 175.256 174.900 0.041 0.000 1.055 35 G CA 0.151 45.290 45.100 0.065 0.000 0.922 35 G HN 0.368 nan 8.290 nan 0.000 0.503 36 M N -1.424 118.183 119.600 0.011 0.000 2.302 36 M HA -0.158 4.322 4.480 -0.000 0.000 0.200 36 M C 0.064 176.334 176.300 -0.049 0.000 0.366 36 M CA 1.520 56.806 55.300 -0.023 0.000 0.440 36 M CB -2.293 30.281 32.600 -0.043 0.000 1.475 36 M HN 0.828 nan 8.290 nan 0.000 0.905 37 N N 0.019 118.718 118.700 -0.002 0.000 2.581 37 N HA 0.431 5.171 4.740 -0.000 0.000 0.279 37 N C -2.147 173.389 175.510 0.044 0.000 1.124 37 N CA -1.539 51.547 53.050 0.060 0.000 0.833 37 N CB 1.682 40.288 38.487 0.198 0.000 1.338 37 N HN -0.172 nan 8.380 nan 0.000 0.533 38 P HA -0.044 nan 4.420 nan 0.000 0.218 38 P C 1.013 178.269 177.300 -0.073 0.000 1.146 38 P CA 1.077 64.081 63.100 -0.161 0.000 0.813 38 P CB 0.036 31.608 31.700 -0.213 0.000 0.778 39 F N -1.299 118.702 119.950 0.084 0.000 2.333 39 F HA -0.106 4.421 4.527 -0.000 0.000 0.300 39 F C 1.816 177.659 175.800 0.073 0.000 1.083 39 F CA 0.832 58.907 58.000 0.126 0.000 1.395 39 F CB -0.417 38.729 39.000 0.244 0.000 1.056 39 F HN -0.135 nan 8.300 nan 0.000 0.529 40 L N -0.267 121.090 121.223 0.223 0.000 2.607 40 L HA 0.137 4.477 4.340 -0.000 0.000 0.228 40 L C 0.286 177.183 176.870 0.045 0.000 1.123 40 L CA -0.160 54.757 54.840 0.129 0.000 0.890 40 L CB -0.195 41.938 42.059 0.123 0.000 1.103 40 L HN 0.003 nan 8.230 nan 0.000 0.468 41 L N 0.174 121.391 121.223 -0.009 0.000 2.395 41 L HA 0.157 4.497 4.340 -0.000 0.000 0.269 41 L C -0.006 176.863 176.870 -0.002 0.000 1.133 41 L CA -0.461 54.337 54.840 -0.068 0.000 0.812 41 L CB 0.620 42.537 42.059 -0.238 0.000 1.125 41 L HN 0.005 nan 8.230 nan 0.000 0.452 42 D N 0.647 121.064 120.400 0.028 0.000 2.382 42 D HA -0.019 4.620 4.640 -0.000 0.000 0.245 42 D C 0.939 177.282 176.300 0.072 0.000 1.120 42 D CA 0.125 54.160 54.000 0.059 0.000 0.890 42 D CB 1.664 42.513 40.800 0.082 0.000 1.201 42 D HN 0.504 nan 8.370 nan 0.000 0.433 43 S N 1.996 117.738 115.700 0.070 0.000 2.383 43 S HA -0.214 4.256 4.470 -0.000 0.000 0.229 43 S C 1.302 175.966 174.600 0.107 0.000 1.030 43 S CA 1.394 59.642 58.200 0.080 0.000 1.002 43 S CB -0.071 63.169 63.200 0.066 0.000 0.829 43 S HN 0.447 nan 8.310 nan 0.000 0.467 44 E N 0.188 120.451 120.200 0.104 0.000 2.265 44 E HA -0.118 4.232 4.350 -0.000 0.000 0.196 44 E C 0.915 177.609 176.600 0.157 0.000 0.996 44 E CA 1.082 57.550 56.400 0.114 0.000 0.832 44 E CB -0.149 29.607 29.700 0.092 0.000 0.756 44 E HN 0.577 nan 8.360 nan 0.000 0.491 45 D N 0.274 120.796 120.400 0.203 0.000 2.340 45 D HA 0.022 4.661 4.640 -0.000 0.000 0.220 45 D C -0.252 176.286 176.300 0.396 0.000 1.039 45 D CA 0.272 54.464 54.000 0.320 0.000 0.866 45 D CB 0.618 41.652 40.800 0.389 0.000 0.913 45 D HN -0.074 nan 8.370 nan 0.000 0.523 46 V N 2.209 122.302 119.914 0.298 0.000 2.347 46 V HA 0.087 4.207 4.120 -0.000 0.000 0.280 46 V C 0.750 177.032 176.094 0.314 0.000 1.021 46 V CA -0.656 61.845 62.300 0.335 0.000 0.847 46 V CB 1.484 33.422 31.823 0.192 0.000 0.990 46 V HN -0.073 nan 8.190 nan 0.000 0.444 47 F N 6.039 126.074 119.950 0.142 0.000 2.128 47 F HA 0.259 4.786 4.527 -0.000 0.000 0.295 47 F C 0.825 176.639 175.800 0.022 0.000 1.100 47 F CA 1.115 59.152 58.000 0.062 0.000 1.260 47 F CB 0.364 39.371 39.000 0.012 0.000 1.009 47 F HN 0.285 nan 8.300 nan 0.000 0.476 48 I N 1.374 121.844 120.570 -0.168 0.000 2.448 48 I HA 0.167 4.337 4.170 -0.000 0.000 0.281 48 I C -1.198 174.797 176.117 -0.203 0.000 1.027 48 I CA -0.725 60.264 61.300 -0.520 0.000 1.111 48 I CB 1.144 38.749 38.000 -0.659 0.000 1.236 48 I HN -0.160 nan 8.210 nan 0.000 0.452 49 D N 7.424 127.790 120.400 -0.057 0.000 2.428 49 D HA 0.304 4.944 4.640 -0.000 0.000 0.221 49 D C 0.303 176.638 176.300 0.059 0.000 1.123 49 D CA -0.077 53.952 54.000 0.047 0.000 0.869 49 D CB 1.075 41.942 40.800 0.111 0.000 1.032 49 D HN 0.447 nan 8.370 nan 0.000 0.506 50 L N 4.353 125.583 121.223 0.013 0.000 2.791 50 L HA 0.196 4.536 4.340 -0.000 0.000 0.239 50 L C 2.053 178.947 176.870 0.041 0.000 1.203 50 L CA -0.233 54.626 54.840 0.033 0.000 1.002 50 L CB 0.207 42.272 42.059 0.010 0.000 1.295 50 L HN 0.354 nan 8.230 nan 0.000 0.504 51 L N -0.360 120.886 121.223 0.039 0.000 1.989 51 L HA -0.099 4.240 4.340 -0.000 0.000 0.211 51 L C 1.040 177.968 176.870 0.097 0.000 1.071 51 L CA 1.610 56.472 54.840 0.038 0.000 0.749 51 L CB 0.262 42.342 42.059 0.035 0.000 0.890 51 L HN 0.396 nan 8.230 nan 0.000 0.431 52 T N -2.549 112.070 114.554 0.109 0.000 2.840 52 T HA 0.166 4.515 4.350 -0.000 0.000 0.317 52 T C -0.799 173.968 174.700 0.112 0.000 1.401 52 T CA -0.230 61.944 62.100 0.123 0.000 1.028 52 T CB 1.319 70.275 68.868 0.146 0.000 1.317 52 T HN 0.371 nan 8.240 nan 0.000 0.495 53 D N 0.885 121.351 120.400 0.109 0.000 2.395 53 D HA 0.159 4.798 4.640 -0.000 0.000 0.213 53 D C 0.544 176.897 176.300 0.088 0.000 1.110 53 D CA -0.180 53.881 54.000 0.102 0.000 0.835 53 D CB 0.199 41.063 40.800 0.107 0.000 0.965 53 D HN 0.269 nan 8.370 nan 0.000 0.505 54 S N 0.268 116.021 115.700 0.089 0.000 2.414 54 S HA 0.423 4.893 4.470 -0.000 0.000 0.290 54 S C 1.386 176.023 174.600 0.061 0.000 1.160 54 S CA 0.409 58.654 58.200 0.074 0.000 1.069 54 S CB -0.611 62.639 63.200 0.083 0.000 1.012 54 S HN 0.549 nan 8.310 nan 0.000 0.510 55 G N 3.882 112.712 108.800 0.049 0.000 2.168 55 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.257 55 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.257 55 G C 0.606 175.521 174.900 0.024 0.000 0.997 55 G CA 0.832 45.953 45.100 0.034 0.000 0.708 55 G HN 1.173 nan 8.290 nan 0.000 0.520 56 T N -2.297 112.275 114.554 0.030 0.000 3.054 56 T HA 0.555 4.904 4.350 -0.000 0.000 0.255 56 T C 1.324 176.015 174.700 -0.015 0.000 1.035 56 T CA 0.891 63.001 62.100 0.017 0.000 0.941 56 T CB 1.119 70.014 68.868 0.045 0.000 1.026 56 T HN 1.197 nan 8.240 nan 0.000 0.533 57 G N 0.914 109.706 108.800 -0.014 0.000 2.547 57 G HA2 0.637 4.597 3.960 -0.000 0.000 0.291 57 G HA3 0.637 4.597 3.960 -0.000 0.000 0.291 57 G C 0.002 174.837 174.900 -0.108 0.000 1.211 57 G CA -0.521 44.551 45.100 -0.047 0.000 0.950 57 G HN 0.580 nan 8.290 nan 0.000 0.504 58 A N -1.309 121.409 122.820 -0.171 0.000 2.272 58 A HA 0.672 4.992 4.320 -0.000 0.000 0.275 58 A C 0.406 177.836 177.584 -0.257 0.000 1.096 58 A CA 0.152 52.054 52.037 -0.225 0.000 0.822 58 A CB 0.680 19.499 19.000 -0.301 0.000 1.088 58 A HN 1.844 nan 8.150 nan 0.000 0.495 59 V N -1.759 118.011 119.914 -0.240 0.000 3.046 59 V HA 0.862 4.981 4.120 -0.000 0.000 0.316 59 V C 0.238 176.172 176.094 -0.266 0.000 1.104 59 V CA -0.068 62.096 62.300 -0.228 0.000 1.006 59 V CB 1.133 32.871 31.823 -0.143 0.000 1.058 59 V HN 1.276 nan 8.190 nan 0.000 0.440 60 T N -0.794 113.613 114.554 -0.244 0.000 2.847 60 T HA 0.349 4.699 4.350 -0.000 0.000 0.279 60 T C 0.857 175.467 174.700 -0.149 0.000 0.984 60 T CA 0.066 62.031 62.100 -0.227 0.000 0.988 60 T CB 1.188 69.937 68.868 -0.199 0.000 1.040 60 T HN 0.777 nan 8.240 nan 0.000 0.528 61 Q N 0.335 120.060 119.800 -0.124 0.000 2.061 61 Q HA -0.108 4.232 4.340 -0.000 0.000 0.204 61 Q C 2.695 178.654 176.000 -0.070 0.000 0.984 61 Q CA 1.864 57.615 55.803 -0.086 0.000 0.846 61 Q CB -0.397 28.300 28.738 -0.068 0.000 0.902 61 Q HN 0.746 nan 8.270 nan 0.000 0.421 62 S N 0.451 116.111 115.700 -0.067 0.000 2.382 62 S HA -0.121 4.349 4.470 -0.000 0.000 0.228 62 S C 1.892 176.464 174.600 -0.045 0.000 1.027 62 S CA 1.094 59.263 58.200 -0.051 0.000 0.991 62 S CB -0.109 63.061 63.200 -0.049 0.000 0.823 62 S HN 0.300 nan 8.310 nan 0.000 0.469 63 M N 0.860 120.426 119.600 -0.057 0.000 2.132 63 M HA -0.161 4.319 4.480 -0.000 0.000 0.263 63 M C 2.530 178.803 176.300 -0.044 0.000 1.065 63 M CA 1.396 56.668 55.300 -0.047 0.000 1.122 63 M CB -0.368 32.192 32.600 -0.068 0.000 1.365 63 M HN 0.344 nan 8.290 nan 0.000 0.411 64 Q N 0.279 120.044 119.800 -0.058 0.000 2.079 64 Q HA -0.162 4.178 4.340 -0.000 0.000 0.200 64 Q C 2.036 178.014 176.000 -0.036 0.000 0.974 64 Q CA 1.738 57.511 55.803 -0.050 0.000 0.840 64 Q CB -0.088 28.614 28.738 -0.060 0.000 0.898 64 Q HN 0.530 nan 8.270 nan 0.000 0.430 65 A N 0.832 123.630 122.820 -0.037 0.000 1.940 65 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 65 A C 2.280 179.852 177.584 -0.021 0.000 1.176 65 A CA 1.670 53.690 52.037 -0.029 0.000 0.631 65 A CB -0.971 18.011 19.000 -0.030 0.000 0.814 65 A HN 0.565 nan 8.150 nan 0.000 0.446 66 A N -0.895 121.913 122.820 -0.020 0.000 1.978 66 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 66 A C 2.059 179.639 177.584 -0.007 0.000 1.170 66 A CA 1.904 53.935 52.037 -0.011 0.000 0.636 66 A CB -0.508 18.489 19.000 -0.005 0.000 0.810 66 A HN 0.438 nan 8.150 nan 0.000 0.448 67 M N -1.249 118.345 119.600 -0.010 0.000 2.346 67 M HA -0.028 4.452 4.480 -0.000 0.000 0.263 67 M C 1.614 177.910 176.300 -0.007 0.000 1.064 67 M CA 1.283 56.578 55.300 -0.007 0.000 1.083 67 M CB -0.974 31.619 32.600 -0.011 0.000 1.399 67 M HN 0.459 nan 8.290 nan 0.000 0.435 68 M N -1.467 118.127 119.600 -0.009 0.000 2.431 68 M HA 0.040 4.520 4.480 -0.000 0.000 0.237 68 M C 0.837 177.132 176.300 -0.007 0.000 1.130 68 M CA 0.291 55.586 55.300 -0.009 0.000 1.002 68 M CB 0.255 32.849 32.600 -0.011 0.000 1.524 68 M HN 0.053 nan 8.290 nan 0.000 0.482 69 R N 0.172 120.668 120.500 -0.006 0.000 2.613 69 R HA 0.251 4.591 4.340 -0.000 0.000 0.361 69 R C 0.519 176.817 176.300 -0.003 0.000 1.072 69 R CA -0.349 55.748 56.100 -0.005 0.000 1.089 69 R CB 0.677 30.974 30.300 -0.005 0.000 1.343 69 R HN 0.207 nan 8.270 nan 0.000 0.571 70 G N 0.675 109.474 108.800 -0.002 0.000 2.442 70 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.249 70 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.249 70 G C -0.780 174.117 174.900 -0.005 0.000 1.263 70 G CA -0.138 44.961 45.100 -0.000 0.000 0.846 70 G HN 0.045 nan 8.290 nan 0.000 0.555 71 D N 1.414 121.808 120.400 -0.010 0.000 2.427 71 D HA 0.187 4.827 4.640 -0.000 0.000 0.226 71 D C 0.762 177.053 176.300 -0.016 0.000 1.076 71 D CA -0.619 53.369 54.000 -0.019 0.000 0.849 71 D CB 1.094 41.869 40.800 -0.042 0.000 1.052 71 D HN 0.227 nan 8.370 nan 0.000 0.515 72 E N 1.812 122.009 120.200 -0.006 0.000 2.494 72 E HA 0.128 4.478 4.350 -0.000 0.000 0.193 72 E C 0.497 177.105 176.600 0.013 0.000 1.074 72 E CA -0.115 56.288 56.400 0.005 0.000 0.867 72 E CB -0.220 29.486 29.700 0.011 0.000 0.924 72 E HN 0.511 nan 8.360 nan 0.000 0.502 73 A N 0.738 123.557 122.820 -0.002 0.000 2.540 73 A HA -0.090 4.229 4.320 -0.000 0.000 0.239 73 A C 0.865 178.462 177.584 0.022 0.000 1.061 73 A CA -0.114 51.932 52.037 0.014 0.000 0.758 73 A CB 0.038 19.029 19.000 -0.014 0.000 0.991 73 A HN 0.287 nan 8.150 nan 0.000 0.502 74 Y N 2.728 123.006 120.300 -0.038 0.000 2.224 74 Y HA -0.050 4.500 4.550 -0.000 0.000 0.289 74 Y C 1.183 177.058 175.900 -0.043 0.000 1.146 74 Y CA 1.698 59.773 58.100 -0.041 0.000 1.182 74 Y CB 0.028 38.453 38.460 -0.058 0.000 0.983 74 Y HN 0.763 nan 8.280 nan 0.000 0.524 75 S N -2.219 113.424 115.700 -0.094 0.000 2.564 75 S HA 0.564 5.033 4.470 -0.000 0.000 0.274 75 S C 0.480 175.050 174.600 -0.050 0.000 1.124 75 S CA -0.529 57.588 58.200 -0.139 0.000 0.869 75 S CB 1.435 64.623 63.200 -0.019 0.000 1.105 75 S HN 0.949 nan 8.310 nan 0.000 0.472 76 G N 0.692 109.478 108.800 -0.023 0.000 2.153 76 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.252 76 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.252 76 G C 0.215 174.872 174.900 -0.405 0.000 0.994 76 G CA 0.274 45.350 45.100 -0.039 0.000 0.698 76 G HN 1.532 nan 8.290 nan 0.000 0.521 77 S N 0.058 115.563 115.700 -0.325 0.000 2.537 77 S HA 0.297 4.767 4.470 -0.000 0.000 0.286 77 S C 2.083 176.344 174.600 -0.564 0.000 1.299 77 S CA 0.618 58.632 58.200 -0.309 0.000 1.067 77 S CB 0.346 63.474 63.200 -0.120 0.000 0.864 77 S HN 0.734 nan 8.310 nan 0.000 0.494 78 R N 3.344 123.616 120.500 -0.379 0.000 2.189 78 R HA -0.020 4.320 4.340 -0.000 0.000 0.223 78 R C 1.766 178.013 176.300 -0.088 0.000 1.092 78 R CA 1.613 57.569 56.100 -0.239 0.000 0.989 78 R CB -0.598 29.665 30.300 -0.061 0.000 0.876 78 R HN 0.512 nan 8.270 nan 0.000 0.457 79 S N 0.660 116.321 115.700 -0.065 0.000 2.387 79 S HA -0.123 4.346 4.470 -0.000 0.000 0.226 79 S C 1.436 176.069 174.600 0.055 0.000 1.026 79 S CA 0.829 59.033 58.200 0.006 0.000 0.972 79 S CB -0.367 62.842 63.200 0.014 0.000 0.814 79 S HN 0.492 nan 8.310 nan 0.000 0.477 80 Y N 1.535 121.798 120.300 -0.062 0.000 2.200 80 Y HA -0.117 4.432 4.550 -0.000 0.000 0.290 80 Y C 1.790 177.786 175.900 0.161 0.000 1.137 80 Y CA 1.059 59.171 58.100 0.020 0.000 1.163 80 Y CB -0.866 37.583 38.460 -0.017 0.000 0.988 80 Y HN 0.347 nan 8.280 nan 0.000 0.518 81 Y N -0.229 119.913 120.300 -0.264 0.000 2.165 81 Y HA -0.263 4.286 4.550 -0.000 0.000 0.286 81 Y C 2.737 178.505 175.900 -0.220 0.000 1.155 81 Y CA 0.390 58.296 58.100 -0.323 0.000 1.164 81 Y CB -0.508 37.883 38.460 -0.116 0.000 0.978 81 Y HN 0.290 nan 8.280 nan 0.000 0.513 82 A N 0.219 123.070 122.820 0.052 0.000 1.902 82 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 82 A C 2.112 179.699 177.584 0.005 0.000 1.181 82 A CA 1.593 53.648 52.037 0.029 0.000 0.623 82 A CB -0.937 18.085 19.000 0.037 0.000 0.818 82 A HN 0.436 nan 8.150 nan 0.000 0.443 83 L N -0.268 120.948 121.223 -0.012 0.000 2.056 83 L HA -0.015 4.325 4.340 -0.000 0.000 0.207 83 L C 2.610 179.448 176.870 -0.054 0.000 1.078 83 L CA 2.203 57.041 54.840 -0.004 0.000 0.749 83 L CB -0.812 41.273 42.059 0.043 0.000 0.901 83 L HN 0.324 nan 8.230 nan 0.000 0.433 84 A N -0.843 121.877 122.820 -0.168 0.000 1.930 84 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 84 A C 2.237 179.749 177.584 -0.120 0.000 1.175 84 A CA 1.571 53.497 52.037 -0.186 0.000 0.627 84 A CB -0.631 18.134 19.000 -0.392 0.000 0.815 84 A HN 0.552 nan 8.150 nan 0.000 0.443 85 E N 0.312 120.454 120.200 -0.096 0.000 2.106 85 E HA -0.096 4.254 4.350 -0.000 0.000 0.192 85 E C 2.120 178.712 176.600 -0.015 0.000 0.984 85 E CA 1.599 57.966 56.400 -0.055 0.000 0.806 85 E CB -0.319 29.364 29.700 -0.028 0.000 0.750 85 E HN 0.463 nan 8.360 nan 0.000 0.458 86 S N -0.672 115.033 115.700 0.009 0.000 2.356 86 S HA -0.134 4.336 4.470 -0.000 0.000 0.223 86 S C 1.985 176.492 174.600 -0.156 0.000 1.032 86 S CA 1.176 59.368 58.200 -0.013 0.000 1.005 86 S CB -0.341 62.856 63.200 -0.005 0.000 0.867 86 S HN 0.175 nan 8.310 nan 0.000 0.449 87 V N 2.008 121.878 119.914 -0.073 0.000 2.332 87 V HA -0.209 3.910 4.120 -0.000 0.000 0.248 87 V C 2.407 178.495 176.094 -0.009 0.000 1.055 87 V CA 1.904 64.218 62.300 0.022 0.000 1.038 87 V CB -0.526 31.315 31.823 0.030 0.000 0.651 87 V HN 0.449 nan 8.190 nan 0.000 0.450 88 K N 0.076 120.451 120.400 -0.041 0.000 2.057 88 K HA -0.194 4.126 4.320 -0.000 0.000 0.207 88 K C 1.949 178.514 176.600 -0.058 0.000 1.049 88 K CA 1.777 58.040 56.287 -0.040 0.000 0.931 88 K CB -0.148 32.308 32.500 -0.073 0.000 0.714 88 K HN 0.439 nan 8.250 nan 0.000 0.440 89 N N 0.513 119.170 118.700 -0.072 0.000 2.354 89 N HA -0.046 4.694 4.740 -0.000 0.000 0.179 89 N C 1.786 177.201 175.510 -0.158 0.000 1.021 89 N CA 0.947 53.962 53.050 -0.058 0.000 0.887 89 N CB 0.092 38.607 38.487 0.047 0.000 0.974 89 N HN 0.290 nan 8.380 nan 0.000 0.437 90 I N -0.893 119.457 120.570 -0.365 0.000 2.429 90 I HA -0.053 4.117 4.170 -0.000 0.000 0.247 90 I C 1.021 176.668 176.117 -0.783 0.000 1.099 90 I CA 0.868 61.757 61.300 -0.684 0.000 1.422 90 I CB -0.035 37.258 38.000 -1.178 0.000 1.112 90 I HN -0.082 nan 8.210 nan 0.000 0.430 91 F N 0.227 119.914 119.950 -0.439 0.000 2.717 91 F HA 0.336 4.862 4.527 -0.000 0.000 0.295 91 F C 1.771 177.437 175.800 -0.223 0.000 1.117 91 F CA 0.483 58.123 58.000 -0.600 0.000 1.361 91 F CB 0.137 38.421 39.000 -1.194 0.000 1.112 91 F HN 0.147 nan 8.300 nan 0.000 0.594 92 G N -0.289 108.545 108.800 0.057 0.000 2.143 92 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.249 92 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.249 92 G C -0.321 174.762 174.900 0.304 0.000 0.981 92 G CA -0.426 44.761 45.100 0.145 0.000 0.665 92 G HN 0.205 nan 8.290 nan 0.000 0.528 93 Y N 0.811 121.087 120.300 -0.039 0.000 2.327 93 Y HA 0.456 5.006 4.550 -0.000 0.000 0.336 93 Y C 1.657 177.464 175.900 -0.154 0.000 1.035 93 Y CA -0.848 57.207 58.100 -0.076 0.000 1.165 93 Y CB 1.172 39.589 38.460 -0.071 0.000 1.181 93 Y HN 0.280 nan 8.280 nan 0.000 0.494 94 Q N 1.924 121.627 119.800 -0.162 0.000 2.378 94 Q HA -0.015 4.324 4.340 -0.000 0.000 0.205 94 Q C -0.823 174.742 176.000 -0.725 0.000 0.954 94 Q CA 0.900 56.418 55.803 -0.474 0.000 0.901 94 Q CB 0.257 28.579 28.738 -0.693 0.000 0.981 94 Q HN 0.543 nan 8.270 nan 0.000 0.483 95 Y N -0.248 119.960 120.300 -0.153 0.000 2.341 95 Y HA 0.382 4.932 4.550 -0.000 0.000 0.338 95 Y C -0.273 175.551 175.900 -0.126 0.000 0.965 95 Y CA -0.765 57.120 58.100 -0.358 0.000 1.108 95 Y CB 2.031 40.019 38.460 -0.786 0.000 1.180 95 Y HN -0.302 nan 8.280 nan 0.000 0.458 96 T N 5.181 119.820 114.554 0.143 0.000 2.848 96 T HA 0.625 4.975 4.350 -0.000 0.000 0.285 96 T C -0.600 174.358 174.700 0.430 0.000 0.995 96 T CA -0.554 61.693 62.100 0.244 0.000 0.970 96 T CB 0.808 69.767 68.868 0.152 0.000 0.976 96 T HN 0.397 nan 8.240 nan 0.000 0.441 97 I N 4.867 125.622 120.570 0.308 0.000 2.420 97 I HA 0.318 4.488 4.170 -0.000 0.000 0.282 97 I C -2.526 173.672 176.117 0.136 0.000 1.019 97 I CA -2.499 58.939 61.300 0.230 0.000 1.130 97 I CB 2.137 40.231 38.000 0.158 0.000 1.262 97 I HN 0.286 nan 8.210 nan 0.000 0.454 98 P HA 0.192 nan 4.420 nan 0.000 0.275 98 P C -0.510 176.797 177.300 0.013 0.000 1.227 98 P CA -0.147 63.008 63.100 0.093 0.000 0.781 98 P CB 0.909 32.691 31.700 0.137 0.000 0.906 99 T N -0.679 113.865 114.554 -0.017 0.000 2.908 99 T HA 0.751 5.101 4.350 -0.000 0.000 0.290 99 T C -0.547 174.108 174.700 -0.075 0.000 1.034 99 T CA -0.655 61.367 62.100 -0.129 0.000 1.010 99 T CB 1.127 69.925 68.868 -0.117 0.000 1.068 99 T HN 0.570 nan 8.240 nan 0.000 0.481 104 G N 0.999 109.788 108.800 -0.019 0.000 2.143 104 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.248 104 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.248 104 G C 0.499 175.412 174.900 0.022 0.000 0.991 104 G CA 0.393 45.498 45.100 0.009 0.000 0.689 104 G HN 1.795 nan 8.290 nan 0.000 0.522 105 A N -1.304 121.478 122.820 -0.064 0.000 2.739 105 A HA -0.178 4.142 4.320 -0.000 0.000 0.296 105 A C 1.418 178.880 177.584 -0.203 0.000 1.488 105 A CA 2.238 54.201 52.037 -0.124 0.000 0.746 105 A CB -1.886 17.068 19.000 -0.076 0.000 1.047 105 A HN 1.218 nan 8.150 nan 0.000 0.477 106 E N -0.259 119.724 120.200 -0.363 0.000 2.130 106 E HA -0.321 4.029 4.350 -0.000 0.000 0.196 106 E C 2.053 178.113 176.600 -0.901 0.000 0.998 106 E CA 1.587 57.503 56.400 -0.806 0.000 0.806 106 E CB -0.206 29.136 29.700 -0.597 0.000 0.738 106 E HN 1.102 nan 8.360 nan 0.000 0.459 107 Q N 0.272 119.577 119.800 -0.826 0.000 2.437 107 Q HA -0.110 4.230 4.340 -0.000 0.000 0.210 107 Q C 1.726 177.552 176.000 -0.291 0.000 0.972 107 Q CA 0.831 56.332 55.803 -0.504 0.000 0.903 107 Q CB 0.114 28.692 28.738 -0.267 0.000 0.967 107 Q HN 0.251 nan 8.270 nan 0.000 0.486 108 I N 0.324 120.716 120.570 -0.298 0.000 2.900 108 I HA -0.092 4.078 4.170 -0.000 0.000 0.251 108 I C 2.346 178.392 176.117 -0.118 0.000 1.102 108 I CA 0.643 61.843 61.300 -0.166 0.000 1.457 108 I CB -1.427 36.510 38.000 -0.104 0.000 1.285 108 I HN 0.245 nan 8.210 nan 0.000 0.459 109 Y N 1.520 121.748 120.300 -0.120 0.000 2.333 109 Y HA -0.028 4.522 4.550 -0.000 0.000 0.290 109 Y C 2.310 178.121 175.900 -0.148 0.000 1.144 109 Y CA 0.935 58.971 58.100 -0.106 0.000 1.228 109 Y CB -1.371 37.033 38.460 -0.093 0.000 0.985 109 Y HN 0.034 nan 8.280 nan 0.000 0.542 110 I N 1.909 122.189 120.570 -0.483 0.000 2.113 110 I HA -0.191 3.978 4.170 -0.000 0.000 0.238 110 I C -0.187 175.905 176.117 -0.042 0.000 1.070 110 I CA 1.565 62.667 61.300 -0.330 0.000 1.332 110 I CB -1.569 36.206 38.000 -0.374 0.000 1.044 110 I HN 0.185 nan 8.210 nan 0.000 0.402 111 P HA -0.096 nan 4.420 nan 0.000 0.218 111 P C 1.934 179.248 177.300 0.022 0.000 1.149 111 P CA 1.325 64.425 63.100 0.000 0.000 0.817 111 P CB -0.025 31.658 31.700 -0.029 0.000 0.785 112 V N 0.449 120.372 119.914 0.015 0.000 2.343 112 V HA -0.203 3.917 4.120 -0.000 0.000 0.247 112 V C 2.810 178.945 176.094 0.069 0.000 1.051 112 V CA 1.561 63.878 62.300 0.029 0.000 1.036 112 V CB -1.140 30.699 31.823 0.027 0.000 0.654 112 V HN 0.020 nan 8.190 nan 0.000 0.451 113 L N -0.868 120.431 121.223 0.126 0.000 2.109 113 L HA -0.123 4.217 4.340 -0.000 0.000 0.207 113 L C 2.330 179.322 176.870 0.203 0.000 1.086 113 L CA 1.397 56.353 54.840 0.192 0.000 0.760 113 L CB -0.438 41.801 42.059 0.300 0.000 0.910 113 L HN 0.277 nan 8.230 nan 0.000 0.437 114 I N 0.090 120.782 120.570 0.203 0.000 2.179 114 I HA -0.331 3.839 4.170 -0.000 0.000 0.242 114 I C 2.697 178.868 176.117 0.089 0.000 1.088 114 I CA 1.479 62.875 61.300 0.160 0.000 1.357 114 I CB -0.288 37.794 38.000 0.137 0.000 1.051 114 I HN 0.238 nan 8.210 nan 0.000 0.409 115 K N 1.439 121.876 120.400 0.062 0.000 2.148 115 K HA -0.237 4.083 4.320 -0.000 0.000 0.204 115 K C 2.218 178.834 176.600 0.027 0.000 1.050 115 K CA 1.366 57.672 56.287 0.033 0.000 0.942 115 K CB -0.010 32.499 32.500 0.016 0.000 0.724 115 K HN 0.139 nan 8.250 nan 0.000 0.446 116 K N 0.804 121.223 120.400 0.031 0.000 2.009 116 K HA -0.204 4.115 4.320 -0.000 0.000 0.210 116 K C 2.220 178.831 176.600 0.018 0.000 1.049 116 K CA 1.568 57.861 56.287 0.010 0.000 0.929 116 K CB -0.119 32.379 32.500 -0.004 0.000 0.714 116 K HN 0.038 nan 8.250 nan 0.000 0.440 117 R N 0.509 121.036 120.500 0.046 0.000 2.148 117 R HA -0.107 4.233 4.340 -0.000 0.000 0.223 117 R C 2.182 178.503 176.300 0.034 0.000 1.088 117 R CA 1.410 57.538 56.100 0.047 0.000 0.985 117 R CB 0.030 30.375 30.300 0.074 0.000 0.880 117 R HN 0.402 nan 8.270 nan 0.000 0.451 118 E N 0.194 120.414 120.200 0.032 0.000 2.107 118 E HA -0.209 4.141 4.350 -0.000 0.000 0.191 118 E C 1.628 178.236 176.600 0.015 0.000 0.982 118 E CA 1.081 57.494 56.400 0.022 0.000 0.809 118 E CB 0.177 29.890 29.700 0.021 0.000 0.756 118 E HN 0.423 nan 8.360 nan 0.000 0.459 119 Q N -0.194 119.613 119.800 0.012 0.000 2.187 119 Q HA -0.082 4.258 4.340 -0.000 0.000 0.199 119 Q C 1.824 177.827 176.000 0.005 0.000 0.957 119 Q CA 1.220 57.026 55.803 0.006 0.000 0.857 119 Q CB 0.234 28.972 28.738 0.001 0.000 0.929 119 Q HN 0.361 nan 8.270 nan 0.000 0.453 120 E N 0.451 120.654 120.200 0.006 0.000 2.166 120 E HA -0.005 4.344 4.350 -0.000 0.000 0.192 120 E C 0.922 177.529 176.600 0.011 0.000 0.967 120 E CA 0.593 56.996 56.400 0.005 0.000 0.840 120 E CB 0.337 30.036 29.700 -0.002 0.000 0.795 120 E HN 0.083 nan 8.360 nan 0.000 0.470 121 K N -0.325 120.085 120.400 0.017 0.000 2.469 121 K HA 0.194 4.513 4.320 -0.000 0.000 0.204 121 K C 0.237 176.848 176.600 0.017 0.000 1.047 121 K CA 0.310 56.609 56.287 0.020 0.000 1.072 121 K CB 1.707 34.224 32.500 0.029 0.000 0.863 121 K HN 0.175 nan 8.250 nan 0.000 0.530 122 G N 2.759 111.568 108.800 0.015 0.000 2.246 122 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.273 122 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.273 122 G C 0.003 174.911 174.900 0.012 0.000 1.055 122 G CA 0.107 45.214 45.100 0.012 0.000 0.851 122 G HN 0.390 nan 8.290 nan 0.000 0.500 123 L N 0.089 121.322 121.223 0.016 0.000 2.525 123 L HA 0.370 4.710 4.340 -0.000 0.000 0.278 123 L C 0.094 176.970 176.870 0.009 0.000 1.218 123 L CA -0.192 54.658 54.840 0.016 0.000 0.878 123 L CB 0.667 42.742 42.059 0.026 0.000 1.127 123 L HN 0.201 nan 8.230 nan 0.000 0.492 124 D N 4.598 125.000 120.400 0.003 0.000 2.373 124 D HA 0.154 4.793 4.640 -0.000 0.000 0.227 124 D C 0.958 177.254 176.300 -0.005 0.000 1.091 124 D CA -0.281 53.719 54.000 -0.001 0.000 0.840 124 D CB 1.140 41.938 40.800 -0.004 0.000 1.060 124 D HN 0.609 nan 8.370 nan 0.000 0.502 125 R N 1.273 121.771 120.500 -0.003 0.000 2.200 125 R HA -0.122 4.217 4.340 -0.000 0.000 0.234 125 R C 1.914 178.204 176.300 -0.016 0.000 1.127 125 R CA 1.397 57.493 56.100 -0.007 0.000 0.989 125 R CB 0.045 30.343 30.300 -0.003 0.000 0.869 125 R HN 0.404 nan 8.270 nan 0.000 0.459 126 S N -0.148 115.543 115.700 -0.016 0.000 2.562 126 S HA 0.037 4.506 4.470 -0.000 0.000 0.221 126 S C 1.348 175.932 174.600 -0.025 0.000 0.975 126 S CA 0.405 58.593 58.200 -0.020 0.000 0.918 126 S CB 0.306 63.496 63.200 -0.016 0.000 0.772 126 S HN 0.235 nan 8.310 nan 0.000 0.531 127 K N 0.806 121.191 120.400 -0.024 0.000 2.440 127 K HA 0.324 4.644 4.320 -0.000 0.000 0.207 127 K C 0.496 177.073 176.600 -0.038 0.000 1.112 127 K CA -0.179 56.091 56.287 -0.028 0.000 1.036 127 K CB 0.404 32.894 32.500 -0.018 0.000 0.935 127 K HN 0.584 nan 8.250 nan 0.000 0.564 128 M N 0.998 120.573 119.600 -0.042 0.000 2.250 128 M HA 0.180 4.660 4.480 -0.000 0.000 0.337 128 M C -0.515 175.718 176.300 -0.112 0.000 1.161 128 M CA 0.284 55.548 55.300 -0.060 0.000 1.088 128 M CB 0.539 33.110 32.600 -0.047 0.000 1.639 128 M HN -0.324 nan 8.290 nan 0.000 0.447 129 V N 2.766 122.588 119.914 -0.154 0.000 2.733 129 V HA 0.789 4.909 4.120 -0.000 0.000 0.306 129 V C -0.398 175.457 176.094 -0.398 0.000 1.084 129 V CA -0.765 61.360 62.300 -0.293 0.000 0.905 129 V CB 1.715 33.338 31.823 -0.334 0.000 1.010 129 V HN 1.091 nan 8.190 nan 0.000 0.424 130 A N 4.115 126.657 122.820 -0.464 0.000 2.324 130 A HA 0.969 5.288 4.320 -0.000 0.000 0.330 130 A C -1.220 176.247 177.584 -0.196 0.000 1.165 130 A CA -0.305 51.516 52.037 -0.360 0.000 0.813 130 A CB 0.821 19.526 19.000 -0.491 0.000 1.197 130 A HN 0.604 nan 8.150 nan 0.000 0.484 131 F N 0.563 120.675 119.950 0.270 0.000 2.538 131 F HA 0.769 5.296 4.527 -0.000 0.000 0.325 131 F C 0.710 176.544 175.800 0.056 0.000 1.066 131 F CA -0.140 58.013 58.000 0.255 0.000 0.946 131 F CB 2.488 41.594 39.000 0.176 0.000 1.199 131 F HN 0.586 nan 8.300 nan 0.000 0.473 132 S N -0.006 115.690 115.700 -0.006 0.000 2.552 132 S HA 0.213 4.683 4.470 -0.000 0.000 0.272 132 S C 0.050 174.389 174.600 -0.434 0.000 1.150 132 S CA -0.642 57.312 58.200 -0.409 0.000 0.849 132 S CB 0.835 63.143 63.200 -1.488 0.000 1.113 132 S HN 0.768 nan 8.310 nan 0.000 0.458 133 N N 1.172 119.277 118.700 -0.992 0.000 2.364 133 N HA -0.017 4.723 4.740 -0.000 0.000 0.183 133 N C -0.261 175.179 175.510 -0.117 0.000 1.022 133 N CA 0.840 53.366 53.050 -0.874 0.000 0.883 133 N CB -0.020 37.745 38.487 -1.203 0.000 0.965 133 N HN 0.489 nan 8.380 nan 0.000 0.438 134 Y N -0.652 119.464 120.300 -0.306 0.000 2.131 134 Y HA 0.199 4.749 4.550 -0.000 0.000 0.313 134 Y C -1.505 174.333 175.900 -0.104 0.000 1.296 134 Y CA -1.244 56.792 58.100 -0.106 0.000 1.481 134 Y CB 0.001 38.406 38.460 -0.091 0.000 1.301 134 Y HN -0.134 nan 8.280 nan 0.000 0.382 135 F N 5.236 125.064 119.950 -0.203 0.000 2.484 135 F HA 0.306 4.833 4.527 -0.000 0.000 0.360 135 F C 0.378 176.179 175.800 0.002 0.000 1.101 135 F CA 0.395 58.387 58.000 -0.014 0.000 1.251 135 F CB 0.298 39.288 39.000 -0.017 0.000 1.132 135 F HN 0.321 nan 8.300 nan 0.000 0.570 136 F N 2.376 122.535 119.950 0.348 0.000 2.406 136 F HA 0.061 4.588 4.527 -0.000 0.000 0.327 136 F C 1.593 177.530 175.800 0.228 0.000 1.153 136 F CA -0.074 58.097 58.000 0.285 0.000 1.218 136 F CB 0.504 39.664 39.000 0.267 0.000 1.215 136 F HN 0.499 nan 8.300 nan 0.000 0.570 137 D N 0.032 120.666 120.400 0.390 0.000 2.116 137 D HA -0.209 4.431 4.640 -0.000 0.000 0.193 137 D C 2.323 178.740 176.300 0.196 0.000 0.998 137 D CA 2.377 56.517 54.000 0.234 0.000 0.836 137 D CB -0.649 40.277 40.800 0.210 0.000 0.951 137 D HN 0.667 nan 8.370 nan 0.000 0.449 138 T N -2.367 112.338 114.554 0.252 0.000 2.867 138 T HA -0.090 4.260 4.350 -0.000 0.000 0.268 138 T C 1.963 176.835 174.700 0.286 0.000 1.057 138 T CA 1.649 63.876 62.100 0.211 0.000 1.136 138 T CB -0.673 68.338 68.868 0.239 0.000 0.874 138 T HN 0.007 nan 8.240 nan 0.000 0.466 139 T N 1.820 116.566 114.554 0.320 0.000 2.777 139 T HA -0.114 4.236 4.350 -0.000 0.000 0.266 139 T C 2.018 176.793 174.700 0.125 0.000 1.040 139 T CA 1.492 63.781 62.100 0.316 0.000 1.141 139 T CB -0.410 68.778 68.868 0.533 0.000 0.868 139 T HN 0.576 nan 8.240 nan 0.000 0.444 140 Q N 0.768 120.592 119.800 0.039 0.000 2.119 140 Q HA -0.062 4.278 4.340 -0.000 0.000 0.201 140 Q C 2.553 178.476 176.000 -0.128 0.000 0.972 140 Q CA 1.562 57.241 55.803 -0.206 0.000 0.847 140 Q CB -0.555 28.102 28.738 -0.134 0.000 0.903 140 Q HN 0.560 nan 8.270 nan 0.000 0.433 141 G N -0.327 108.440 108.800 -0.056 0.000 2.459 141 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.217 141 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.217 141 G C 0.784 175.587 174.900 -0.162 0.000 1.183 141 G CA 1.245 46.272 45.100 -0.122 0.000 0.776 141 G HN 0.486 nan 8.290 nan 0.000 0.552 142 H N 0.262 119.293 119.070 -0.065 0.000 2.389 142 H HA 0.057 4.613 4.556 -0.000 0.000 0.299 142 H C 3.027 178.304 175.328 -0.085 0.000 1.081 142 H CA 1.342 57.338 56.048 -0.086 0.000 1.345 142 H CB 0.151 29.837 29.762 -0.126 0.000 1.393 142 H HN 0.320 nan 8.280 nan 0.000 0.520 143 S N 0.474 116.188 115.700 0.022 0.000 2.343 143 S HA -0.215 4.254 4.470 -0.000 0.000 0.219 143 S C 2.007 176.577 174.600 -0.050 0.000 1.033 143 S CA 1.375 59.575 58.200 0.000 0.000 1.014 143 S CB -0.226 62.901 63.200 -0.122 0.000 0.915 143 S HN 0.506 nan 8.310 nan 0.000 0.435 144 Q N 0.227 119.967 119.800 -0.101 0.000 2.124 144 Q HA -0.049 4.291 4.340 -0.000 0.000 0.202 144 Q C 2.062 178.020 176.000 -0.069 0.000 0.977 144 Q CA 0.972 56.717 55.803 -0.096 0.000 0.850 144 Q CB -0.282 28.390 28.738 -0.111 0.000 0.901 144 Q HN 0.406 nan 8.270 nan 0.000 0.429 145 I N 1.329 121.858 120.570 -0.068 0.000 2.361 145 I HA -0.231 3.939 4.170 -0.000 0.000 0.251 145 I C 1.443 177.540 176.117 -0.032 0.000 1.133 145 I CA 1.220 62.486 61.300 -0.058 0.000 1.413 145 I CB -0.899 37.054 38.000 -0.077 0.000 1.073 145 I HN 0.272 nan 8.210 nan 0.000 0.424 146 N N 0.944 119.634 118.700 -0.016 0.000 2.434 146 N HA 0.015 4.755 4.740 -0.000 0.000 0.196 146 N C 1.308 176.814 175.510 -0.008 0.000 1.183 146 N CA 0.855 53.904 53.050 -0.001 0.000 0.849 146 N CB 0.440 38.942 38.487 0.024 0.000 0.992 146 N HN 0.499 nan 8.380 nan 0.000 0.460 147 G N 0.852 109.637 108.800 -0.026 0.000 2.143 147 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.248 147 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.248 147 G C 0.087 174.961 174.900 -0.044 0.000 0.991 147 G CA 0.203 45.283 45.100 -0.033 0.000 0.689 147 G HN 0.460 nan 8.290 nan 0.000 0.522 148 C N 1.805 121.075 119.300 -0.050 0.000 2.295 148 C HA 0.748 5.208 4.460 -0.000 0.000 0.331 148 C C 1.124 176.032 174.990 -0.136 0.000 1.280 148 C CA 0.214 59.183 59.018 -0.081 0.000 1.746 148 C CB 0.032 27.740 27.740 -0.054 0.000 2.328 148 C HN 0.483 nan 8.230 nan 0.000 0.521 149 T N 5.073 119.534 114.554 -0.155 0.000 2.913 149 T HA 0.447 4.796 4.350 -0.000 0.000 0.297 149 T C 0.045 174.586 174.700 -0.266 0.000 1.029 149 T CA -0.187 61.803 62.100 -0.182 0.000 1.104 149 T CB 0.895 69.670 68.868 -0.154 0.000 0.964 149 T HN 0.922 nan 8.240 nan 0.000 0.532 150 V N 1.262 121.010 119.914 -0.277 0.000 2.864 150 V HA 0.815 4.935 4.120 -0.000 0.000 0.314 150 V C -0.666 175.325 176.094 -0.172 0.000 1.073 150 V CA -1.242 60.867 62.300 -0.318 0.000 0.956 150 V CB 1.887 33.353 31.823 -0.595 0.000 1.023 150 V HN 0.809 nan 8.190 nan 0.000 0.435 151 R N 2.307 122.767 120.500 -0.067 0.000 2.538 151 R HA 0.488 4.828 4.340 -0.000 0.000 0.292 151 R C -1.345 175.079 176.300 0.207 0.000 1.008 151 R CA -0.683 55.418 56.100 0.002 0.000 0.896 151 R CB 1.874 32.095 30.300 -0.131 0.000 1.187 151 R HN 0.802 nan 8.270 nan 0.000 0.440 152 N N 2.253 121.055 118.700 0.169 0.000 2.414 152 N HA 0.113 4.853 4.740 -0.000 0.000 0.256 152 N C -0.076 175.508 175.510 0.123 0.000 1.029 152 N CA -0.223 52.932 53.050 0.175 0.000 0.948 152 N CB 1.952 40.559 38.487 0.200 0.000 1.102 152 N HN 0.350 nan 8.380 nan 0.000 0.496 153 V N 1.260 121.251 119.914 0.127 0.000 2.154 153 V HA 0.346 4.466 4.120 -0.000 0.000 0.265 153 V C -0.293 175.811 176.094 0.017 0.000 1.293 153 V CA -0.889 61.434 62.300 0.039 0.000 1.205 153 V CB -1.717 30.201 31.823 0.158 0.000 1.306 153 V HN 0.379 nan 8.190 nan 0.000 0.479 154 Y N 2.265 122.637 120.300 0.119 0.000 2.374 154 Y HA 0.812 5.362 4.550 -0.000 0.000 0.322 154 Y C 0.449 176.389 175.900 0.065 0.000 1.275 154 Y CA -2.274 55.877 58.100 0.086 0.000 1.307 154 Y CB 0.548 39.114 38.460 0.177 0.000 1.282 154 Y HN 0.512 nan 8.280 nan 0.000 0.509 155 I N -0.239 120.472 120.570 0.235 0.000 2.764 155 I HA 0.324 4.494 4.170 -0.000 0.000 0.294 155 I C 0.710 176.923 176.117 0.161 0.000 1.045 155 I CA -0.926 60.434 61.300 0.101 0.000 1.340 155 I CB 1.125 39.115 38.000 -0.018 0.000 1.436 155 I HN 0.734 nan 8.210 nan 0.000 0.567 156 K N 2.144 122.572 120.400 0.046 0.000 2.113 156 K HA -0.182 4.138 4.320 -0.000 0.000 0.208 156 K C 1.487 178.103 176.600 0.026 0.000 1.047 156 K CA 2.116 58.438 56.287 0.058 0.000 0.928 156 K CB -0.238 32.258 32.500 -0.007 0.000 0.716 156 K HN 0.655 nan 8.250 nan 0.000 0.446 157 E N 0.635 120.767 120.200 -0.114 0.000 2.418 157 E HA -0.044 4.306 4.350 -0.000 0.000 0.197 157 E C 1.693 178.215 176.600 -0.130 0.000 1.026 157 E CA 0.657 56.953 56.400 -0.173 0.000 0.862 157 E CB -0.149 29.287 29.700 -0.440 0.000 0.799 157 E HN 0.324 nan 8.360 nan 0.000 0.518 158 A N 0.673 123.440 122.820 -0.089 0.000 1.870 158 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 158 A C 1.482 178.814 177.584 -0.421 0.000 1.224 158 A CA 1.647 53.539 52.037 -0.242 0.000 0.650 158 A CB -0.815 18.069 19.000 -0.193 0.000 0.836 158 A HN 0.327 nan 8.150 nan 0.000 0.454 159 F N -0.011 119.802 119.950 -0.229 0.000 2.692 159 F HA 0.195 4.721 4.527 -0.000 0.000 0.303 159 F C 0.528 176.248 175.800 -0.134 0.000 1.114 159 F CA -0.427 57.438 58.000 -0.224 0.000 1.361 159 F CB 0.268 39.109 39.000 -0.265 0.000 1.063 159 F HN 0.115 nan 8.300 nan 0.000 0.550 160 D N 1.826 122.237 120.400 0.019 0.000 2.422 160 D HA 0.042 4.682 4.640 -0.000 0.000 0.227 160 D C 0.355 176.641 176.300 -0.023 0.000 1.190 160 D CA 0.163 54.167 54.000 0.006 0.000 0.905 160 D CB 0.655 41.454 40.800 -0.002 0.000 1.034 160 D HN 0.139 nan 8.370 nan 0.000 0.507 161 T N -0.454 114.089 114.554 -0.018 0.000 2.813 161 T HA 0.437 4.786 4.350 -0.000 0.000 0.297 161 T C 1.350 176.039 174.700 -0.018 0.000 1.036 161 T CA 0.034 62.117 62.100 -0.028 0.000 1.044 161 T CB 1.353 70.208 68.868 -0.022 0.000 0.993 161 T HN 0.493 nan 8.240 nan 0.000 0.535 162 G N -0.535 108.253 108.800 -0.021 0.000 2.155 162 G HA2 -0.169 3.790 3.960 -0.000 0.000 0.257 162 G HA3 -0.169 3.790 3.960 -0.000 0.000 0.257 162 G C 0.090 174.986 174.900 -0.008 0.000 0.983 162 G CA 0.035 45.127 45.100 -0.014 0.000 0.676 162 G HN 1.348 nan 8.290 nan 0.000 0.528 163 V N 1.507 121.416 119.914 -0.008 0.000 2.538 163 V HA 0.294 4.413 4.120 -0.000 0.000 0.265 163 V C 0.717 176.824 176.094 0.021 0.000 0.977 163 V CA -0.471 61.833 62.300 0.007 0.000 0.852 163 V CB 0.864 32.689 31.823 0.003 0.000 1.058 163 V HN 0.700 nan 8.190 nan 0.000 0.462 164 R N 2.282 122.793 120.500 0.017 0.000 2.538 164 R HA 0.335 4.675 4.340 -0.000 0.000 0.282 164 R C -1.201 175.152 176.300 0.088 0.000 1.009 164 R CA 0.164 56.272 56.100 0.013 0.000 1.063 164 R CB 0.501 30.789 30.300 -0.019 0.000 0.945 164 R HN 0.517 nan 8.270 nan 0.000 0.414 165 Y N 2.084 122.324 120.300 -0.101 0.000 2.441 165 Y HA 0.169 4.719 4.550 -0.000 0.000 0.334 165 Y C -0.185 175.616 175.900 -0.165 0.000 1.061 165 Y CA -1.065 56.982 58.100 -0.088 0.000 1.032 165 Y CB 1.977 40.401 38.460 -0.061 0.000 1.266 165 Y HN 0.741 nan 8.280 nan 0.000 0.441 166 D N 3.994 124.035 120.400 -0.598 0.000 2.149 166 D HA -0.134 4.506 4.640 -0.000 0.000 0.198 166 D C -0.203 175.512 176.300 -0.974 0.000 0.990 166 D CA 2.000 55.579 54.000 -0.701 0.000 0.839 166 D CB 0.103 40.540 40.800 -0.606 0.000 0.948 166 D HN 0.340 nan 8.370 nan 0.000 0.460 167 F N 0.140 119.926 119.950 -0.273 0.000 2.622 167 F HA 0.296 4.823 4.527 -0.000 0.000 0.338 167 F C 1.160 177.091 175.800 0.218 0.000 1.334 167 F CA -0.602 57.381 58.000 -0.028 0.000 1.179 167 F CB 0.891 39.879 39.000 -0.019 0.000 1.471 167 F HN -0.394 nan 8.300 nan 0.000 0.576 168 K N 0.384 120.901 120.400 0.195 0.000 2.515 168 K HA -0.024 4.295 4.320 -0.000 0.000 0.196 168 K C 1.952 178.525 176.600 -0.045 0.000 1.038 168 K CA 0.843 57.173 56.287 0.070 0.000 0.967 168 K CB 0.066 32.496 32.500 -0.115 0.000 0.780 168 K HN 0.696 nan 8.250 nan 0.000 0.483 169 G N 0.651 109.449 108.800 -0.002 0.000 3.042 169 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.212 169 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.212 169 G C 0.141 175.064 174.900 0.038 0.000 1.166 169 G CA -0.385 44.691 45.100 -0.041 0.000 0.767 169 G HN 0.260 nan 8.290 nan 0.000 0.546 170 N N -0.090 118.697 118.700 0.145 0.000 2.329 170 N HA 0.059 4.798 4.740 -0.000 0.000 0.237 170 N C -0.675 174.928 175.510 0.155 0.000 1.258 170 N CA -0.137 53.029 53.050 0.192 0.000 0.866 170 N CB 0.452 39.086 38.487 0.245 0.000 1.102 170 N HN -0.000 nan 8.380 nan 0.000 0.440 171 F N 0.547 120.546 119.950 0.081 0.000 2.418 171 F HA 0.004 4.531 4.527 -0.000 0.000 0.341 171 F C 1.083 176.913 175.800 0.050 0.000 1.120 171 F CA -0.168 57.876 58.000 0.072 0.000 1.232 171 F CB 0.465 39.492 39.000 0.046 0.000 1.175 171 F HN 0.391 nan 8.300 nan 0.000 0.569 172 D N 3.646 124.176 120.400 0.216 0.000 2.453 172 D HA 0.124 4.764 4.640 -0.000 0.000 0.223 172 D C 1.037 177.402 176.300 0.108 0.000 1.183 172 D CA 0.151 54.217 54.000 0.109 0.000 0.933 172 D CB 0.134 40.952 40.800 0.031 0.000 1.038 172 D HN 0.483 nan 8.370 nan 0.000 0.513 173 L N 2.368 123.648 121.223 0.095 0.000 2.043 173 L HA -0.200 4.140 4.340 -0.000 0.000 0.212 173 L C 2.194 179.066 176.870 0.004 0.000 1.075 173 L CA 1.089 55.953 54.840 0.040 0.000 0.752 173 L CB -0.309 41.759 42.059 0.016 0.000 0.891 173 L HN 0.387 nan 8.230 nan 0.000 0.432 174 E N 0.248 120.450 120.200 0.003 0.000 2.047 174 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 174 E C 2.258 178.842 176.600 -0.028 0.000 0.987 174 E CA 1.392 57.785 56.400 -0.012 0.000 0.799 174 E CB -0.525 29.170 29.700 -0.008 0.000 0.752 174 E HN 0.539 nan 8.360 nan 0.000 0.449 175 G N 1.876 110.662 108.800 -0.022 0.000 2.440 175 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.218 175 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.218 175 G C 1.663 176.507 174.900 -0.094 0.000 1.154 175 G CA 0.979 46.056 45.100 -0.037 0.000 0.767 175 G HN 0.218 nan 8.290 nan 0.000 0.552 176 L N 0.773 121.938 121.223 -0.096 0.000 1.989 176 L HA -0.038 4.301 4.340 -0.000 0.000 0.211 176 L C 2.663 179.345 176.870 -0.314 0.000 1.071 176 L CA 2.756 57.443 54.840 -0.256 0.000 0.749 176 L CB -0.743 41.258 42.059 -0.097 0.000 0.890 176 L HN 0.307 nan 8.230 nan 0.000 0.431 177 E N 0.061 120.178 120.200 -0.139 0.000 2.049 177 E HA -0.256 4.094 4.350 -0.000 0.000 0.198 177 E C 2.352 178.887 176.600 -0.108 0.000 1.007 177 E CA 1.863 58.223 56.400 -0.067 0.000 0.809 177 E CB -0.249 29.448 29.700 -0.004 0.000 0.749 177 E HN 0.458 nan 8.360 nan 0.000 0.450 178 R N -0.678 119.766 120.500 -0.093 0.000 2.096 178 R HA -0.061 4.279 4.340 -0.000 0.000 0.235 178 R C 2.491 178.734 176.300 -0.096 0.000 1.127 178 R CA 1.133 57.190 56.100 -0.072 0.000 0.968 178 R CB -0.621 29.654 30.300 -0.041 0.000 0.861 178 R HN 0.353 nan 8.270 nan 0.000 0.440 179 G N 1.301 109.998 108.800 -0.171 0.000 2.421 179 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.216 179 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.216 179 G C 1.470 176.288 174.900 -0.136 0.000 1.171 179 G CA 0.511 45.543 45.100 -0.114 0.000 0.775 179 G HN 0.146 nan 8.290 nan 0.000 0.543 180 I N 0.466 120.783 120.570 -0.421 0.000 2.163 180 I HA -0.175 3.994 4.170 -0.000 0.000 0.243 180 I C 2.671 178.634 176.117 -0.255 0.000 1.085 180 I CA 1.637 62.740 61.300 -0.329 0.000 1.347 180 I CB -0.259 37.438 38.000 -0.505 0.000 1.044 180 I HN 0.300 nan 8.210 nan 0.000 0.408 181 E N 1.043 121.100 120.200 -0.239 0.000 2.085 181 E HA -0.303 4.047 4.350 -0.000 0.000 0.194 181 E C 2.146 178.700 176.600 -0.078 0.000 0.994 181 E CA 1.537 57.843 56.400 -0.156 0.000 0.801 181 E CB -0.052 29.600 29.700 -0.080 0.000 0.743 181 E HN 0.450 nan 8.360 nan 0.000 0.453 182 E N -0.069 120.105 120.200 -0.042 0.000 2.038 182 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 182 E C 2.110 178.715 176.600 0.009 0.000 1.000 182 E CA 1.675 58.074 56.400 -0.003 0.000 0.803 182 E CB 0.083 29.798 29.700 0.025 0.000 0.750 182 E HN 0.204 nan 8.360 nan 0.000 0.448 183 V N -0.027 119.911 119.914 0.040 0.000 2.453 183 V HA 0.011 4.131 4.120 -0.000 0.000 0.247 183 V C 1.060 177.155 176.094 0.002 0.000 1.048 183 V CA 1.130 63.457 62.300 0.044 0.000 1.049 183 V CB -0.377 31.520 31.823 0.123 0.000 0.672 183 V HN 0.578 nan 8.190 nan 0.000 0.457 184 G N 0.641 109.419 108.800 -0.036 0.000 3.445 184 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.686 184 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.686 184 G C -1.320 173.535 174.900 -0.075 0.000 1.113 184 G CA -0.205 44.859 45.100 -0.059 0.000 0.974 184 G HN 0.192 nan 8.290 nan 0.000 0.492 185 P HA -0.212 nan 4.420 nan 0.000 0.217 185 P C 1.422 178.706 177.300 -0.026 0.000 1.148 185 P CA 1.333 64.346 63.100 -0.144 0.000 0.834 185 P CB 0.107 31.688 31.700 -0.199 0.000 0.783 186 N N -0.008 118.686 118.700 -0.010 0.000 2.381 186 N HA -0.087 4.653 4.740 -0.000 0.000 0.182 186 N C 1.072 176.591 175.510 0.014 0.000 1.025 186 N CA 0.894 53.952 53.050 0.013 0.000 0.888 186 N CB -0.699 37.794 38.487 0.011 0.000 0.965 186 N HN 0.406 nan 8.380 nan 0.000 0.438 187 N N -0.531 118.172 118.700 0.005 0.000 2.280 187 N HA 0.078 4.818 4.740 -0.000 0.000 0.192 187 N C -0.656 174.856 175.510 0.004 0.000 1.109 187 N CA -0.070 52.982 53.050 0.003 0.000 0.855 187 N CB 0.915 39.399 38.487 -0.004 0.000 0.974 187 N HN -0.127 nan 8.380 nan 0.000 0.482 188 V N 3.011 122.942 119.914 0.028 0.000 2.294 188 V HA 0.181 4.301 4.120 -0.000 0.000 0.272 188 V C -1.333 174.785 176.094 0.040 0.000 1.027 188 V CA -1.303 61.024 62.300 0.045 0.000 0.823 188 V CB 1.398 33.304 31.823 0.139 0.000 1.030 188 V HN 0.063 nan 8.190 nan 0.000 0.457 189 P HA -0.061 nan 4.420 nan 0.000 0.221 189 P C -0.269 177.204 177.300 0.288 0.000 1.150 189 P CA 1.413 64.579 63.100 0.109 0.000 0.800 189 P CB 0.242 32.016 31.700 0.124 0.000 0.787 190 Y N -3.607 116.832 120.300 0.233 0.000 2.774 190 Y HA 0.612 5.162 4.550 -0.000 0.000 0.346 190 Y C -1.440 174.656 175.900 0.327 0.000 1.222 190 Y CA -1.606 56.658 58.100 0.272 0.000 1.088 190 Y CB 0.079 38.719 38.460 0.299 0.000 1.354 190 Y HN -0.345 nan 8.280 nan 0.000 0.455 191 I N 2.106 122.969 120.570 0.489 0.000 2.498 191 I HA 0.589 4.759 4.170 -0.000 0.000 0.290 191 I C -1.177 175.212 176.117 0.453 0.000 1.032 191 I CA -1.291 60.271 61.300 0.438 0.000 1.073 191 I CB 2.223 40.410 38.000 0.312 0.000 1.251 191 I HN 0.501 nan 8.210 nan 0.000 0.426 192 V N 5.265 125.416 119.914 0.396 0.000 2.384 192 V HA 0.568 4.687 4.120 -0.000 0.000 0.287 192 V C 0.238 176.506 176.094 0.290 0.000 1.020 192 V CA -0.578 61.904 62.300 0.303 0.000 0.850 192 V CB 1.544 33.545 31.823 0.296 0.000 0.987 192 V HN 0.805 nan 8.190 nan 0.000 0.436 193 A N 3.641 126.669 122.820 0.346 0.000 2.294 193 A HA 0.642 4.962 4.320 -0.000 0.000 0.316 193 A C 0.349 178.082 177.584 0.247 0.000 1.359 193 A CA -0.315 51.984 52.037 0.436 0.000 0.956 193 A CB 0.129 19.370 19.000 0.402 0.000 1.155 193 A HN 0.726 nan 8.150 nan 0.000 0.544 194 T N 4.035 118.696 114.554 0.178 0.000 2.728 194 T HA 0.519 4.869 4.350 -0.000 0.000 0.296 194 T C 0.073 174.922 174.700 0.248 0.000 0.940 194 T CA 0.141 62.388 62.100 0.244 0.000 1.013 194 T CB -0.153 68.866 68.868 0.251 0.000 0.912 194 T HN 0.655 nan 8.240 nan 0.000 0.484 195 I N 0.625 121.372 120.570 0.295 0.000 2.478 195 I HA 0.559 4.729 4.170 -0.000 0.000 0.287 195 I C 0.322 176.656 176.117 0.361 0.000 1.042 195 I CA -1.015 60.464 61.300 0.298 0.000 1.067 195 I CB 1.889 40.041 38.000 0.254 0.000 1.233 195 I HN 0.482 nan 8.210 nan 0.000 0.431 196 T N 2.075 116.866 114.554 0.396 0.000 2.766 196 T HA 0.208 4.558 4.350 -0.000 0.000 0.295 196 T C 0.492 175.400 174.700 0.346 0.000 1.024 196 T CA -0.492 61.821 62.100 0.355 0.000 1.018 196 T CB 1.329 70.435 68.868 0.397 0.000 1.002 196 T HN 0.688 nan 8.240 nan 0.000 0.532 197 S N -0.056 115.727 115.700 0.139 0.000 2.580 197 S HA 0.123 4.593 4.470 -0.000 0.000 0.274 197 S C 1.025 175.540 174.600 -0.142 0.000 1.329 197 S CA -0.659 57.554 58.200 0.022 0.000 1.036 197 S CB 0.056 63.197 63.200 -0.098 0.000 0.919 197 S HN 0.784 nan 8.310 nan 0.000 0.515 198 N N 2.075 120.652 118.700 -0.205 0.000 2.398 198 N HA 0.043 4.782 4.740 -0.000 0.000 0.188 198 N C 0.048 175.270 175.510 -0.479 0.000 1.122 198 N CA 0.110 52.950 53.050 -0.349 0.000 0.866 198 N CB -0.027 38.030 38.487 -0.717 0.000 0.970 198 N HN 0.571 nan 8.380 nan 0.000 0.462 199 S N -0.365 114.890 115.700 -0.742 0.000 2.580 199 S HA 0.466 4.935 4.470 -0.000 0.000 0.274 199 S C 0.791 174.788 174.600 -1.006 0.000 1.329 199 S CA -0.244 57.216 58.200 -1.233 0.000 1.036 199 S CB 1.240 63.485 63.200 -1.591 0.000 0.919 199 S HN 0.531 nan 8.310 nan 0.000 0.515 200 A N 1.588 123.747 122.820 -1.103 0.000 2.640 200 A HA 0.115 4.434 4.320 -0.000 0.000 0.300 200 A C 1.614 178.981 177.584 -0.361 0.000 1.499 200 A CA 0.944 52.557 52.037 -0.707 0.000 0.759 200 A CB -2.194 16.316 19.000 -0.816 0.000 1.048 200 A HN 2.894 nan 8.150 nan 0.000 0.450 201 G N -2.256 106.430 108.800 -0.190 0.000 2.184 201 G HA2 0.374 4.334 3.960 -0.000 0.000 0.264 201 G HA3 0.374 4.334 3.960 -0.000 0.000 0.264 201 G C 1.058 175.816 174.900 -0.237 0.000 0.975 201 G CA 0.966 46.088 45.100 0.037 0.000 0.642 201 G HN 3.221 nan 8.290 nan 0.000 0.536 202 G N -1.497 106.954 108.800 -0.582 0.000 3.353 202 G HA2 0.450 4.410 3.960 -0.000 0.000 0.682 202 G HA3 0.450 4.410 3.960 -0.000 0.000 0.682 202 G C -0.843 173.757 174.900 -0.501 0.000 1.192 202 G CA 0.147 44.651 45.100 -0.992 0.000 1.111 202 G HN 0.955 nan 8.290 nan 0.000 0.493 203 Q N 2.095 121.637 119.800 -0.430 0.000 2.347 203 Q HA 0.578 4.918 4.340 -0.000 0.000 0.271 203 Q C -2.454 173.414 176.000 -0.220 0.000 1.064 203 Q CA -1.695 53.889 55.803 -0.364 0.000 0.800 203 Q CB 3.367 31.896 28.738 -0.348 0.000 1.304 203 Q HN 0.508 nan 8.270 nan 0.000 0.438 204 P HA 0.215 nan 4.420 nan 0.000 0.274 204 P C -0.551 176.913 177.300 0.272 0.000 1.246 204 P CA -0.316 62.801 63.100 0.029 0.000 0.795 204 P CB 0.931 32.590 31.700 -0.070 0.000 1.006 205 V N 0.846 120.969 119.914 0.347 0.000 2.540 205 V HA 0.267 4.387 4.120 -0.000 0.000 0.302 205 V C 0.796 176.938 176.094 0.079 0.000 1.035 205 V CA -0.572 61.880 62.300 0.254 0.000 0.873 205 V CB 1.347 33.286 31.823 0.193 0.000 0.992 205 V HN 0.743 nan 8.190 nan 0.000 0.428 206 S N 4.388 119.882 115.700 -0.344 0.000 2.592 206 S HA 0.395 4.865 4.470 -0.000 0.000 0.271 206 S C 0.964 175.345 174.600 -0.365 0.000 1.326 206 S CA -0.455 57.241 58.200 -0.841 0.000 1.024 206 S CB 1.008 63.474 63.200 -1.224 0.000 0.921 206 S HN 0.632 nan 8.310 nan 0.000 0.527 207 L N 1.602 122.616 121.223 -0.348 0.000 2.141 207 L HA -0.013 4.326 4.340 -0.000 0.000 0.209 207 L C 2.825 179.544 176.870 -0.252 0.000 1.094 207 L CA 1.409 56.084 54.840 -0.276 0.000 0.763 207 L CB -0.878 40.911 42.059 -0.449 0.000 0.908 207 L HN 0.998 nan 8.230 nan 0.000 0.437 208 A N 0.012 122.705 122.820 -0.212 0.000 1.902 208 A HA -0.295 4.025 4.320 -0.000 0.000 0.217 208 A C 1.972 179.444 177.584 -0.186 0.000 1.181 208 A CA 2.211 54.138 52.037 -0.183 0.000 0.623 208 A CB -0.772 18.139 19.000 -0.149 0.000 0.818 208 A HN 0.534 nan 8.150 nan 0.000 0.443 209 N N -0.211 118.390 118.700 -0.165 0.000 2.142 209 N HA -0.068 4.672 4.740 -0.000 0.000 0.186 209 N C 1.576 177.026 175.510 -0.100 0.000 1.023 209 N CA 1.431 54.433 53.050 -0.080 0.000 0.852 209 N CB -0.320 38.170 38.487 0.004 0.000 0.998 209 N HN 0.468 nan 8.380 nan 0.000 0.424 210 L N 0.198 121.347 121.223 -0.124 0.000 2.046 210 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 210 L C 2.200 178.933 176.870 -0.229 0.000 1.077 210 L CA 1.167 55.934 54.840 -0.122 0.000 0.747 210 L CB -0.340 41.684 42.059 -0.059 0.000 0.896 210 L HN 0.214 nan 8.230 nan 0.000 0.432 211 K N 0.152 120.262 120.400 -0.482 0.000 2.057 211 K HA -0.142 4.177 4.320 -0.000 0.000 0.207 211 K C 2.253 178.700 176.600 -0.254 0.000 1.049 211 K CA 1.407 57.269 56.287 -0.707 0.000 0.931 211 K CB -0.332 31.684 32.500 -0.808 0.000 0.714 211 K HN 0.266 nan 8.250 nan 0.000 0.440 212 A N 1.842 124.542 122.820 -0.200 0.000 1.902 212 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 212 A C 2.143 179.650 177.584 -0.128 0.000 1.181 212 A CA 1.499 53.458 52.037 -0.129 0.000 0.623 212 A CB -0.484 18.454 19.000 -0.103 0.000 0.818 212 A HN 0.268 nan 8.150 nan 0.000 0.443 213 M N -1.720 117.770 119.600 -0.184 0.000 2.132 213 M HA -0.141 4.339 4.480 -0.000 0.000 0.263 213 M C 2.037 178.246 176.300 -0.151 0.000 1.065 213 M CA 1.930 57.056 55.300 -0.291 0.000 1.122 213 M CB -0.780 31.407 32.600 -0.687 0.000 1.365 213 M HN 0.501 nan 8.290 nan 0.000 0.411 214 Y N 0.706 120.908 120.300 -0.162 0.000 2.293 214 Y HA -0.146 4.403 4.550 -0.000 0.000 0.291 214 Y C 2.823 178.710 175.900 -0.022 0.000 1.137 214 Y CA 1.895 59.972 58.100 -0.038 0.000 1.202 214 Y CB -0.543 37.992 38.460 0.125 0.000 0.990 214 Y HN 0.409 nan 8.280 nan 0.000 0.537 215 S N -0.079 115.598 115.700 -0.039 0.000 2.356 215 S HA -0.191 4.278 4.470 -0.000 0.000 0.223 215 S C 2.072 176.567 174.600 -0.175 0.000 1.032 215 S CA 1.784 59.923 58.200 -0.102 0.000 1.005 215 S CB -0.572 62.589 63.200 -0.065 0.000 0.867 215 S HN 0.503 nan 8.310 nan 0.000 0.449 216 I N 1.597 122.079 120.570 -0.147 0.000 2.179 216 I HA -0.173 3.997 4.170 -0.000 0.000 0.242 216 I C 2.852 178.908 176.117 -0.102 0.000 1.088 216 I CA 1.200 62.422 61.300 -0.130 0.000 1.357 216 I CB -0.599 37.359 38.000 -0.070 0.000 1.051 216 I HN 0.396 nan 8.210 nan 0.000 0.409 217 A N 0.738 123.487 122.820 -0.119 0.000 1.902 217 A HA -0.277 4.042 4.320 -0.000 0.000 0.217 217 A C 2.397 179.890 177.584 -0.152 0.000 1.181 217 A CA 2.081 54.069 52.037 -0.081 0.000 0.623 217 A CB -0.570 18.368 19.000 -0.103 0.000 0.818 217 A HN 0.395 nan 8.150 nan 0.000 0.443 218 K N -0.065 120.123 120.400 -0.353 0.000 2.097 218 K HA -0.175 4.144 4.320 -0.000 0.000 0.205 218 K C 2.139 178.623 176.600 -0.192 0.000 1.050 218 K CA 1.707 57.801 56.287 -0.322 0.000 0.938 218 K CB -0.203 32.035 32.500 -0.437 0.000 0.718 218 K HN 0.428 nan 8.250 nan 0.000 0.442 219 K N -0.227 120.024 120.400 -0.250 0.000 2.063 219 K HA -0.187 4.133 4.320 -0.000 0.000 0.208 219 K C 1.232 177.639 176.600 -0.322 0.000 1.048 219 K CA 1.726 57.812 56.287 -0.335 0.000 0.928 219 K CB -0.121 32.065 32.500 -0.524 0.000 0.713 219 K HN 0.306 nan 8.250 nan 0.000 0.442 220 Y N 0.137 120.401 120.300 -0.060 0.000 2.461 220 Y HA 0.032 4.582 4.550 -0.000 0.000 0.277 220 Y C 0.033 175.926 175.900 -0.012 0.000 1.182 220 Y CA -0.148 57.932 58.100 -0.032 0.000 1.276 220 Y CB 0.468 38.910 38.460 -0.030 0.000 1.087 220 Y HN 0.207 nan 8.280 nan 0.000 0.519 221 D N 1.261 121.712 120.400 0.085 0.000 2.723 221 D HA -0.224 4.416 4.640 -0.000 0.000 0.236 221 D C -0.708 175.667 176.300 0.125 0.000 1.138 221 D CA 0.537 54.585 54.000 0.080 0.000 0.676 221 D CB -1.262 39.583 40.800 0.075 0.000 1.069 221 D HN 0.365 nan 8.370 nan 0.000 0.430 222 I N 0.364 121.014 120.570 0.133 0.000 2.336 222 I HA 0.336 4.505 4.170 -0.000 0.000 0.292 222 I C -1.816 174.431 176.117 0.217 0.000 0.991 222 I CA -2.130 59.273 61.300 0.173 0.000 1.227 222 I CB 1.532 39.632 38.000 0.166 0.000 1.366 222 I HN -0.116 nan 8.210 nan 0.000 0.466 223 P HA 0.045 nan 4.420 nan 0.000 0.265 223 P C -0.872 176.612 177.300 0.306 0.000 1.193 223 P CA 0.006 63.350 63.100 0.406 0.000 0.765 223 P CB 0.592 32.597 31.700 0.509 0.000 0.823 224 V N 5.075 125.121 119.914 0.220 0.000 2.409 224 V HA 0.251 4.371 4.120 -0.000 0.000 0.291 224 V C 0.003 176.154 176.094 0.095 0.000 1.020 224 V CA -0.564 61.858 62.300 0.204 0.000 0.848 224 V CB 2.035 34.021 31.823 0.273 0.000 0.990 224 V HN 0.200 nan 8.190 nan 0.000 0.430 225 V N 6.051 126.023 119.914 0.097 0.000 2.370 225 V HA 0.439 4.559 4.120 -0.000 0.000 0.283 225 V C 0.016 176.133 176.094 0.038 0.000 1.023 225 V CA -0.545 61.731 62.300 -0.039 0.000 0.857 225 V CB 1.584 33.250 31.823 -0.262 0.000 0.985 225 V HN 0.885 nan 8.190 nan 0.000 0.443 226 M N 4.568 124.178 119.600 0.016 0.000 2.094 226 M HA 0.291 4.771 4.480 -0.000 0.000 0.348 226 M C -0.066 176.280 176.300 0.077 0.000 1.267 226 M CA -0.001 55.322 55.300 0.039 0.000 1.125 226 M CB 0.350 32.905 32.600 -0.075 0.000 1.527 226 M HN 0.646 nan 8.290 nan 0.000 0.447 227 D N 2.720 123.209 120.400 0.148 0.000 2.359 227 D HA 0.109 4.748 4.640 -0.000 0.000 0.250 227 D C -0.494 175.926 176.300 0.200 0.000 1.264 227 D CA 0.216 54.327 54.000 0.184 0.000 0.911 227 D CB 0.677 41.653 40.800 0.293 0.000 1.056 227 D HN 0.653 nan 8.370 nan 0.000 0.499 228 S N 2.458 118.249 115.700 0.152 0.000 2.573 228 S HA 0.208 4.678 4.470 -0.000 0.000 0.244 228 S C 1.675 176.445 174.600 0.282 0.000 0.984 228 S CA -0.216 58.126 58.200 0.238 0.000 1.001 228 S CB 0.925 64.220 63.200 0.157 0.000 0.788 228 S HN 0.555 nan 8.310 nan 0.000 0.456 229 A N 2.551 125.477 122.820 0.176 0.000 1.948 229 A HA -0.105 4.215 4.320 -0.000 0.000 0.220 229 A C 1.660 179.387 177.584 0.238 0.000 1.177 229 A CA 1.211 53.332 52.037 0.140 0.000 0.636 229 A CB -0.158 18.819 19.000 -0.038 0.000 0.815 229 A HN 0.474 nan 8.150 nan 0.000 0.449 230 R N -0.493 120.165 120.500 0.263 0.000 3.135 230 R HA 0.253 4.593 4.340 -0.000 0.000 0.343 230 R C 0.647 177.101 176.300 0.257 0.000 1.227 230 R CA -0.074 56.155 56.100 0.215 0.000 1.227 230 R CB -0.017 30.393 30.300 0.184 0.000 1.436 230 R HN 0.665 nan 8.270 nan 0.000 0.595 231 F N -0.668 119.427 119.950 0.242 0.000 2.216 231 F HA 0.012 4.538 4.527 -0.000 0.000 0.300 231 F C 1.910 177.869 175.800 0.265 0.000 1.085 231 F CA 1.060 59.243 58.000 0.306 0.000 1.326 231 F CB -0.334 38.921 39.000 0.425 0.000 1.027 231 F HN 0.049 nan 8.300 nan 0.000 0.497 232 A N 0.716 122.993 122.820 -0.906 0.000 1.897 232 A HA -0.093 4.227 4.320 -0.000 0.000 0.215 232 A C 2.195 179.676 177.584 -0.172 0.000 1.181 232 A CA 1.419 53.088 52.037 -0.612 0.000 0.620 232 A CB -0.866 17.682 19.000 -0.754 0.000 0.821 232 A HN 0.532 nan 8.150 nan 0.000 0.443 233 E N -0.427 119.709 120.200 -0.107 0.000 2.150 233 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 233 E C 1.875 178.570 176.600 0.158 0.000 0.985 233 E CA 1.171 57.547 56.400 -0.040 0.000 0.814 233 E CB -0.217 29.509 29.700 0.044 0.000 0.752 233 E HN 0.692 nan 8.360 nan 0.000 0.466 234 N N 0.762 119.627 118.700 0.274 0.000 2.142 234 N HA -0.137 4.602 4.740 -0.000 0.000 0.186 234 N C 1.715 177.402 175.510 0.295 0.000 1.023 234 N CA 1.406 54.689 53.050 0.388 0.000 0.852 234 N CB -0.057 38.627 38.487 0.329 0.000 0.998 234 N HN 0.128 nan 8.380 nan 0.000 0.424 235 A N -0.598 122.341 122.820 0.197 0.000 1.933 235 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 235 A C 2.132 179.786 177.584 0.117 0.000 1.175 235 A CA 1.355 53.482 52.037 0.150 0.000 0.628 235 A CB -1.187 17.901 19.000 0.148 0.000 0.814 235 A HN 0.604 nan 8.150 nan 0.000 0.444 236 Y N -0.663 119.608 120.300 -0.049 0.000 2.200 236 Y HA -0.176 4.374 4.550 -0.000 0.000 0.290 236 Y C 1.827 177.656 175.900 -0.118 0.000 1.137 236 Y CA 1.678 59.688 58.100 -0.150 0.000 1.163 236 Y CB -0.426 37.824 38.460 -0.351 0.000 0.988 236 Y HN 0.263 nan 8.280 nan 0.000 0.518 237 F N -0.163 119.777 119.950 -0.017 0.000 2.234 237 F HA -0.173 4.354 4.527 -0.000 0.000 0.299 237 F C 2.273 178.077 175.800 0.006 0.000 1.087 237 F CA 1.249 59.191 58.000 -0.097 0.000 1.340 237 F CB -0.704 38.291 39.000 -0.007 0.000 1.031 237 F HN 0.058 nan 8.300 nan 0.000 0.500 238 I N -0.208 120.549 120.570 0.311 0.000 2.252 238 I HA -0.292 3.878 4.170 -0.000 0.000 0.245 238 I C 2.518 178.727 176.117 0.152 0.000 1.102 238 I CA 1.286 62.767 61.300 0.301 0.000 1.385 238 I CB -0.383 37.671 38.000 0.090 0.000 1.064 238 I HN 0.053 nan 8.210 nan 0.000 0.414 239 K N 0.722 121.133 120.400 0.019 0.000 2.097 239 K HA -0.251 4.069 4.320 -0.000 0.000 0.205 239 K C 2.206 178.750 176.600 -0.095 0.000 1.050 239 K CA 1.474 57.753 56.287 -0.014 0.000 0.938 239 K CB -0.031 32.443 32.500 -0.043 0.000 0.718 239 K HN 0.295 nan 8.250 nan 0.000 0.442 240 Q N -0.105 119.544 119.800 -0.252 0.000 2.137 240 Q HA -0.077 4.263 4.340 -0.000 0.000 0.198 240 Q C 1.458 177.409 176.000 -0.081 0.000 0.960 240 Q CA 1.056 56.710 55.803 -0.247 0.000 0.847 240 Q CB 0.337 28.794 28.738 -0.467 0.000 0.915 240 Q HN 0.268 nan 8.270 nan 0.000 0.448 241 R N -0.520 119.984 120.500 0.007 0.000 2.316 241 R HA 0.169 4.509 4.340 -0.000 0.000 0.201 241 R C 0.095 176.522 176.300 0.211 0.000 0.888 241 R CA 0.001 56.127 56.100 0.043 0.000 1.041 241 R CB 0.569 30.755 30.300 -0.190 0.000 1.115 241 R HN 0.050 nan 8.270 nan 0.000 0.559 242 E N 1.376 121.758 120.200 0.303 0.000 2.001 242 E HA 0.227 4.577 4.350 -0.000 0.000 0.279 242 E C 0.647 177.270 176.600 0.039 0.000 1.045 242 E CA -0.224 56.290 56.400 0.189 0.000 0.833 242 E CB 1.020 30.819 29.700 0.165 0.000 1.077 242 E HN 0.239 nan 8.360 nan 0.000 0.397 243 A N 4.245 127.054 122.820 -0.019 0.000 1.954 243 A HA -0.323 3.997 4.320 -0.000 0.000 0.222 243 A C 1.945 179.424 177.584 -0.175 0.000 1.199 243 A CA 2.188 54.181 52.037 -0.072 0.000 0.657 243 A CB -0.453 18.508 19.000 -0.065 0.000 0.823 243 A HN 0.737 nan 8.150 nan 0.000 0.463 244 E N -1.242 118.754 120.200 -0.339 0.000 2.160 244 E HA -0.183 4.167 4.350 -0.000 0.000 0.195 244 E C 0.814 176.860 176.600 -0.924 0.000 0.991 244 E CA 1.470 57.477 56.400 -0.654 0.000 0.810 244 E CB -0.306 28.807 29.700 -0.979 0.000 0.742 244 E HN 0.784 nan 8.360 nan 0.000 0.466 245 Y N -0.493 119.590 120.300 -0.362 0.000 2.607 245 Y HA 0.293 4.843 4.550 -0.000 0.000 0.266 245 Y C 1.563 177.400 175.900 -0.105 0.000 1.178 245 Y CA -0.290 57.507 58.100 -0.504 0.000 1.226 245 Y CB 0.053 38.186 38.460 -0.544 0.000 1.144 245 Y HN -0.073 nan 8.280 nan 0.000 0.528 246 K N 0.749 121.165 120.400 0.028 0.000 2.074 246 K HA -0.201 4.119 4.320 -0.000 0.000 0.209 246 K C 0.295 176.982 176.600 0.145 0.000 1.048 246 K CA 2.140 58.470 56.287 0.072 0.000 0.926 246 K CB 0.009 32.528 32.500 0.032 0.000 0.713 246 K HN 0.245 nan 8.250 nan 0.000 0.444 247 D N -0.831 119.705 120.400 0.228 0.000 2.368 247 D HA 0.019 4.658 4.640 -0.000 0.000 0.218 247 D C -0.493 176.017 176.300 0.349 0.000 1.112 247 D CA 0.091 54.236 54.000 0.241 0.000 0.834 247 D CB 0.021 40.928 40.800 0.179 0.000 0.953 247 D HN 0.137 nan 8.370 nan 0.000 0.505 248 W N 2.155 123.515 121.300 0.100 0.000 2.313 248 W HA 0.210 4.870 4.660 -0.000 0.000 0.328 248 W C 1.203 177.779 176.519 0.095 0.000 1.197 248 W CA -0.858 56.559 57.345 0.119 0.000 1.235 248 W CB 0.465 30.048 29.460 0.205 0.000 1.158 248 W HN -0.262 nan 8.180 nan 0.000 0.578 249 T N 0.176 114.885 114.554 0.257 0.000 2.849 249 T HA 0.177 4.527 4.350 -0.000 0.000 0.284 249 T C 1.230 176.055 174.700 0.210 0.000 1.004 249 T CA -0.671 61.538 62.100 0.181 0.000 1.021 249 T CB 0.848 69.779 68.868 0.104 0.000 1.013 249 T HN 0.258 nan 8.240 nan 0.000 0.527 250 I N 0.811 121.481 120.570 0.167 0.000 2.264 250 I HA -0.113 4.057 4.170 -0.000 0.000 0.248 250 I C 2.428 178.633 176.117 0.146 0.000 1.111 250 I CA 1.485 62.879 61.300 0.157 0.000 1.382 250 I CB -1.474 36.605 38.000 0.131 0.000 1.060 250 I HN 0.739 nan 8.210 nan 0.000 0.418 251 E N 0.653 120.924 120.200 0.118 0.000 2.077 251 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 251 E C 2.243 178.898 176.600 0.092 0.000 0.989 251 E CA 1.100 57.545 56.400 0.076 0.000 0.800 251 E CB -0.252 29.486 29.700 0.063 0.000 0.746 251 E HN 0.525 nan 8.360 nan 0.000 0.452 252 Q N -0.077 119.801 119.800 0.130 0.000 2.079 252 Q HA -0.088 4.252 4.340 -0.000 0.000 0.200 252 Q C 2.240 178.465 176.000 0.376 0.000 0.974 252 Q CA 1.068 56.970 55.803 0.164 0.000 0.840 252 Q CB -0.127 28.632 28.738 0.035 0.000 0.898 252 Q HN 0.328 nan 8.270 nan 0.000 0.430 253 I N 0.281 121.089 120.570 0.396 0.000 2.286 253 I HA -0.261 3.909 4.170 -0.000 0.000 0.248 253 I C 2.059 178.287 176.117 0.186 0.000 1.115 253 I CA 1.093 62.545 61.300 0.253 0.000 1.392 253 I CB -0.240 37.836 38.000 0.128 0.000 1.065 253 I HN 0.219 nan 8.210 nan 0.000 0.418 254 T N -0.085 114.595 114.554 0.210 0.000 2.812 254 T HA -0.176 4.173 4.350 -0.000 0.000 0.264 254 T C 1.994 176.852 174.700 0.264 0.000 1.042 254 T CA 1.207 63.470 62.100 0.272 0.000 1.140 254 T CB -0.197 68.771 68.868 0.166 0.000 0.870 254 T HN 0.183 nan 8.240 nan 0.000 0.445 255 R N 1.291 121.873 120.500 0.137 0.000 2.081 255 R HA -0.092 4.248 4.340 -0.000 0.000 0.235 255 R C 2.319 178.719 176.300 0.167 0.000 1.131 255 R CA 1.671 57.837 56.100 0.110 0.000 0.960 255 R CB -0.354 29.983 30.300 0.060 0.000 0.856 255 R HN 0.292 nan 8.270 nan 0.000 0.436 256 E N -0.760 119.571 120.200 0.217 0.000 2.047 256 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 256 E C 1.683 178.366 176.600 0.138 0.000 0.987 256 E CA 2.197 58.728 56.400 0.218 0.000 0.799 256 E CB -0.428 29.493 29.700 0.368 0.000 0.752 256 E HN 0.321 nan 8.360 nan 0.000 0.449 257 T N -0.299 114.343 114.554 0.148 0.000 2.699 257 T HA -0.202 4.147 4.350 -0.000 0.000 0.268 257 T C 1.184 175.850 174.700 -0.057 0.000 1.036 257 T CA 1.698 63.854 62.100 0.094 0.000 1.147 257 T CB -0.558 68.351 68.868 0.069 0.000 0.862 257 T HN 0.291 nan 8.240 nan 0.000 0.446 258 Y N 1.198 121.505 120.300 0.012 0.000 2.632 258 Y HA 0.112 4.661 4.550 -0.000 0.000 0.301 258 Y C 2.142 177.983 175.900 -0.098 0.000 1.172 258 Y CA 0.320 58.413 58.100 -0.012 0.000 1.328 258 Y CB -0.214 38.221 38.460 -0.040 0.000 1.016 258 Y HN 0.161 nan 8.280 nan 0.000 0.529 259 K N -0.751 119.441 120.400 -0.346 0.000 2.366 259 K HA -0.062 4.258 4.320 -0.000 0.000 0.198 259 K C -0.261 175.652 176.600 -1.146 0.000 1.044 259 K CA 0.661 56.547 56.287 -0.670 0.000 0.973 259 K CB 0.046 32.021 32.500 -0.875 0.000 0.767 259 K HN 0.322 nan 8.250 nan 0.000 0.475 260 Y N 0.355 120.378 120.300 -0.461 0.000 2.811 260 Y HA 0.397 4.947 4.550 -0.000 0.000 0.330 260 Y C 0.126 175.568 175.900 -0.763 0.000 1.081 260 Y CA -0.792 56.812 58.100 -0.826 0.000 1.408 260 Y CB 0.263 38.527 38.460 -0.326 0.000 1.235 260 Y HN -0.086 nan 8.280 nan 0.000 0.529 261 A N -0.843 121.584 122.820 -0.655 0.000 2.610 261 A HA 0.539 4.859 4.320 -0.000 0.000 0.291 261 A C -0.207 177.245 177.584 -0.220 0.000 1.086 261 A CA -0.680 51.234 52.037 -0.204 0.000 0.677 261 A CB 1.049 20.011 19.000 -0.063 0.000 1.278 261 A HN 0.141 nan 8.150 nan 0.000 0.414 262 D N 0.141 120.422 120.400 -0.199 0.000 2.392 262 D HA 0.184 4.823 4.640 -0.000 0.000 0.206 262 D C 0.542 176.436 176.300 -0.677 0.000 1.046 262 D CA 1.493 55.135 54.000 -0.596 0.000 0.865 262 D CB 0.314 40.456 40.800 -1.096 0.000 0.969 262 D HN 0.695 nan 8.370 nan 0.000 0.509 263 M N -0.498 118.935 119.600 -0.278 0.000 2.949 263 M HA 0.503 4.982 4.480 -0.000 0.000 0.270 263 M C -2.102 174.283 176.300 0.141 0.000 1.221 263 M CA -1.179 54.088 55.300 -0.056 0.000 0.818 263 M CB 2.454 34.968 32.600 -0.143 0.000 1.635 263 M HN -0.209 nan 8.290 nan 0.000 0.492 264 L N -0.610 120.677 121.223 0.107 0.000 2.424 264 L HA 1.115 5.455 4.340 -0.000 0.000 0.258 264 L C -1.519 175.285 176.870 -0.109 0.000 0.995 264 L CA -0.657 54.165 54.840 -0.029 0.000 0.821 264 L CB 2.037 44.000 42.059 -0.161 0.000 1.383 264 L HN 0.995 nan 8.230 nan 0.000 0.410 265 A N 3.841 126.605 122.820 -0.095 0.000 2.398 265 A HA 0.957 5.277 4.320 -0.000 0.000 0.301 265 A C -0.735 176.842 177.584 -0.010 0.000 1.041 265 A CA -0.277 51.742 52.037 -0.030 0.000 0.711 265 A CB 1.517 20.560 19.000 0.071 0.000 1.240 265 A HN 1.245 nan 8.150 nan 0.000 0.420 266 M N 0.715 120.297 119.600 -0.030 0.000 2.471 266 M HA 0.647 5.127 4.480 -0.000 0.000 0.284 266 M C -0.674 175.617 176.300 -0.016 0.000 1.203 266 M CA -0.451 54.836 55.300 -0.021 0.000 0.915 266 M CB 1.850 34.421 32.600 -0.048 0.000 1.734 266 M HN 0.603 nan 8.290 nan 0.000 0.485 267 S N 0.966 116.658 115.700 -0.014 0.000 2.513 267 S HA 0.693 5.162 4.470 -0.000 0.000 0.276 267 S C 0.755 175.373 174.600 0.030 0.000 1.254 267 S CA 0.122 58.318 58.200 -0.007 0.000 1.053 267 S CB 1.326 64.505 63.200 -0.036 0.000 0.958 267 S HN 0.895 nan 8.310 nan 0.000 0.491 268 A N 4.624 127.468 122.820 0.040 0.000 2.251 268 A HA 0.236 4.556 4.320 -0.000 0.000 0.209 268 A C 1.493 179.121 177.584 0.073 0.000 1.187 268 A CA 0.162 52.242 52.037 0.070 0.000 0.823 268 A CB -0.207 18.827 19.000 0.058 0.000 0.846 268 A HN 0.886 nan 8.150 nan 0.000 0.486 269 K N -0.061 120.371 120.400 0.053 0.000 2.569 269 K HA 0.040 4.360 4.320 -0.000 0.000 0.193 269 K C 0.741 177.376 176.600 0.058 0.000 1.026 269 K CA 0.332 56.648 56.287 0.050 0.000 1.093 269 K CB 0.183 32.708 32.500 0.041 0.000 0.849 269 K HN 0.255 nan 8.250 nan 0.000 0.509 270 K N 0.208 120.654 120.400 0.077 0.000 4.650 270 K HA 0.092 4.412 4.320 -0.000 0.000 0.256 270 K C 1.029 177.703 176.600 0.123 0.000 1.139 270 K CA -0.095 56.243 56.287 0.086 0.000 1.927 270 K CB -0.618 31.919 32.500 0.061 0.000 2.928 270 K HN -0.199 nan 8.250 nan 0.000 0.661 271 D N 1.848 122.331 120.400 0.138 0.000 2.221 271 D HA -0.084 4.556 4.640 -0.000 0.000 0.204 271 D C 1.405 177.810 176.300 0.175 0.000 0.982 271 D CA 1.153 55.232 54.000 0.131 0.000 0.857 271 D CB -0.139 40.644 40.800 -0.029 0.000 0.934 271 D HN 0.426 nan 8.370 nan 0.000 0.475 272 A N 0.130 123.092 122.820 0.237 0.000 2.239 272 A HA -0.016 4.304 4.320 -0.000 0.000 0.209 272 A C 1.040 178.685 177.584 0.101 0.000 1.171 272 A CA 0.518 52.689 52.037 0.223 0.000 0.768 272 A CB -0.287 18.842 19.000 0.215 0.000 0.790 272 A HN 0.148 nan 8.150 nan 0.000 0.478 273 M N -2.539 117.101 119.600 0.068 0.000 2.908 273 M HA -0.168 4.312 4.480 -0.000 0.000 0.191 273 M C 0.309 176.598 176.300 -0.019 0.000 0.619 273 M CA 1.071 56.365 55.300 -0.010 0.000 0.709 273 M CB -3.038 29.501 32.600 -0.102 0.000 2.554 273 M HN 0.721 nan 8.290 nan 0.000 0.356 274 V N -1.636 118.287 119.914 0.015 0.000 2.850 274 V HA 0.657 4.777 4.120 -0.000 0.000 0.315 274 V C -1.388 174.714 176.094 0.014 0.000 1.064 274 V CA -1.237 61.068 62.300 0.008 0.000 0.979 274 V CB 1.404 33.240 31.823 0.021 0.000 1.039 274 V HN 0.021 nan 8.190 nan 0.000 0.452 275 P HA 0.173 nan 4.420 nan 0.000 0.245 275 P C -0.038 177.277 177.300 0.025 0.000 1.206 275 P CA 0.638 63.746 63.100 0.013 0.000 0.781 275 P CB 0.417 32.119 31.700 0.003 0.000 0.994 276 M N -1.226 118.393 119.600 0.031 0.000 2.605 276 M HA 0.486 4.966 4.480 -0.000 0.000 0.281 276 M C -1.512 174.818 176.300 0.051 0.000 1.166 276 M CA 0.064 55.389 55.300 0.042 0.000 0.875 276 M CB 2.180 34.805 32.600 0.042 0.000 1.732 276 M HN 0.131 nan 8.290 nan 0.000 0.504 277 G N 1.149 109.986 108.800 0.060 0.000 2.440 277 G HA2 0.409 4.369 3.960 -0.000 0.000 0.684 277 G HA3 0.409 4.369 3.960 -0.000 0.000 0.684 277 G C -1.099 173.824 174.900 0.039 0.000 1.309 277 G CA -0.330 44.807 45.100 0.061 0.000 0.931 277 G HN 1.354 nan 8.290 nan 0.000 0.612 278 G N -1.408 107.408 108.800 0.026 0.000 2.606 278 G HA2 0.830 4.790 3.960 -0.000 0.000 0.300 278 G HA3 0.830 4.790 3.960 -0.000 0.000 0.300 278 G C -1.535 173.363 174.900 -0.003 0.000 1.360 278 G CA -0.459 44.644 45.100 0.005 0.000 0.783 278 G HN 1.314 nan 8.290 nan 0.000 0.484 279 L N -0.602 120.606 121.223 -0.025 0.000 2.466 279 L HA 0.700 5.040 4.340 -0.000 0.000 0.258 279 L C -1.578 175.275 176.870 -0.028 0.000 0.973 279 L CA -0.921 53.901 54.840 -0.031 0.000 0.826 279 L CB 2.612 44.617 42.059 -0.090 0.000 1.372 279 L HN 0.502 nan 8.230 nan 0.000 0.409 280 L N 2.259 123.489 121.223 0.012 0.000 2.446 280 L HA 0.683 5.023 4.340 -0.000 0.000 0.268 280 L C -1.219 175.699 176.870 0.079 0.000 0.975 280 L CA -0.032 54.832 54.840 0.039 0.000 0.848 280 L CB 1.226 43.330 42.059 0.075 0.000 1.225 280 L HN 0.677 nan 8.230 nan 0.000 0.410 281 C N 4.454 123.790 119.300 0.059 0.000 2.779 281 C HA 0.850 5.310 4.460 -0.000 0.000 0.314 281 C C -0.313 174.794 174.990 0.195 0.000 1.231 281 C CA -0.753 58.350 59.018 0.141 0.000 1.652 281 C CB 1.828 29.617 27.740 0.082 0.000 2.198 281 C HN 0.785 nan 8.230 nan 0.000 0.483 282 M N 1.600 121.311 119.600 0.184 0.000 2.321 282 M HA 0.398 4.878 4.480 -0.000 0.000 0.315 282 M C 0.936 177.133 176.300 -0.171 0.000 1.052 282 M CA -0.237 55.087 55.300 0.039 0.000 0.936 282 M CB 1.350 34.061 32.600 0.185 0.000 1.639 282 M HN 0.721 nan 8.290 nan 0.000 0.433 283 K N 1.172 121.119 120.400 -0.754 0.000 1.978 283 K HA -0.160 4.160 4.320 -0.000 0.000 0.214 283 K C -0.185 176.252 176.600 -0.273 0.000 1.049 283 K CA 2.323 58.041 56.287 -0.949 0.000 0.939 283 K CB 0.275 32.143 32.500 -1.054 0.000 0.721 283 K HN 0.962 nan 8.250 nan 0.000 0.441 284 D N -2.583 117.785 120.400 -0.054 0.000 2.798 284 D HA 0.117 4.757 4.640 -0.000 0.000 0.308 284 D C 0.160 176.680 176.300 0.367 0.000 1.187 284 D CA -0.624 53.452 54.000 0.128 0.000 1.033 284 D CB -0.015 40.809 40.800 0.040 0.000 1.445 284 D HN -0.196 nan 8.370 nan 0.000 0.550 285 D N -0.629 119.969 120.400 0.331 0.000 2.228 285 D HA -0.154 4.486 4.640 -0.000 0.000 0.203 285 D C 1.890 178.342 176.300 0.253 0.000 0.988 285 D CA 1.881 56.064 54.000 0.305 0.000 0.864 285 D CB -0.425 40.460 40.800 0.141 0.000 0.928 285 D HN 0.424 nan 8.370 nan 0.000 0.469 286 S N -0.766 115.080 115.700 0.243 0.000 2.440 286 S HA -0.151 4.318 4.470 -0.000 0.000 0.238 286 S C 1.362 176.120 174.600 0.264 0.000 1.010 286 S CA 0.611 58.957 58.200 0.244 0.000 0.972 286 S CB -0.501 62.875 63.200 0.293 0.000 0.774 286 S HN 0.265 nan 8.310 nan 0.000 0.501 287 F N 0.111 120.115 119.950 0.091 0.000 2.735 287 F HA 0.438 4.964 4.527 -0.000 0.000 0.304 287 F C 1.023 176.838 175.800 0.025 0.000 1.119 287 F CA -1.056 56.979 58.000 0.058 0.000 1.280 287 F CB 0.230 39.249 39.000 0.032 0.000 0.994 287 F HN 0.178 nan 8.300 nan 0.000 0.520 288 F N 0.965 120.901 119.950 -0.023 0.000 2.186 288 F HA -0.201 4.326 4.527 -0.000 0.000 0.299 288 F C 1.991 177.743 175.800 -0.080 0.000 1.090 288 F CA 1.779 59.654 58.000 -0.208 0.000 1.307 288 F CB 0.041 38.932 39.000 -0.181 0.000 1.019 288 F HN -0.063 nan 8.300 nan 0.000 0.489 289 D N -0.026 120.363 120.400 -0.019 0.000 2.178 289 D HA -0.131 4.508 4.640 -0.000 0.000 0.202 289 D C 2.492 178.694 176.300 -0.163 0.000 0.974 289 D CA 1.297 55.231 54.000 -0.109 0.000 0.841 289 D CB -0.300 40.482 40.800 -0.031 0.000 0.953 289 D HN 0.256 nan 8.370 nan 0.000 0.478 290 V N 0.859 120.701 119.914 -0.119 0.000 2.427 290 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 290 V C 2.186 178.262 176.094 -0.030 0.000 1.051 290 V CA 1.126 63.395 62.300 -0.051 0.000 1.048 290 V CB -0.618 31.235 31.823 0.051 0.000 0.666 290 V HN 0.157 nan 8.190 nan 0.000 0.456 291 Y N 1.825 121.992 120.300 -0.221 0.000 2.114 291 Y HA -0.259 4.291 4.550 -0.000 0.000 0.284 291 Y C 2.642 178.350 175.900 -0.321 0.000 1.143 291 Y CA 2.300 60.236 58.100 -0.274 0.000 1.135 291 Y CB -0.934 37.226 38.460 -0.499 0.000 0.980 291 Y HN 0.225 nan 8.280 nan 0.000 0.499 292 T N 0.845 115.008 114.554 -0.651 0.000 2.635 292 T HA -0.237 4.113 4.350 -0.000 0.000 0.267 292 T C 1.641 176.111 174.700 -0.383 0.000 1.040 292 T CA 2.041 63.762 62.100 -0.631 0.000 1.156 292 T CB -0.357 68.205 68.868 -0.511 0.000 0.863 292 T HN 0.499 nan 8.240 nan 0.000 0.430 293 E N 0.081 120.127 120.200 -0.256 0.000 2.085 293 E HA -0.139 4.211 4.350 -0.000 0.000 0.194 293 E C 2.558 179.066 176.600 -0.154 0.000 0.994 293 E CA 1.316 57.619 56.400 -0.163 0.000 0.801 293 E CB -0.345 29.291 29.700 -0.106 0.000 0.743 293 E HN 0.480 nan 8.360 nan 0.000 0.453 294 C N 0.414 119.622 119.300 -0.153 0.000 2.453 294 C HA -0.072 4.388 4.460 -0.000 0.000 0.277 294 C C 2.683 177.570 174.990 -0.171 0.000 1.262 294 C CA 0.516 59.465 59.018 -0.115 0.000 1.718 294 C CB -0.833 26.881 27.740 -0.042 0.000 2.031 294 C HN 0.394 nan 8.230 nan 0.000 0.480 295 R N 0.440 120.765 120.500 -0.293 0.000 2.120 295 R HA -0.137 4.203 4.340 -0.000 0.000 0.234 295 R C 2.014 178.186 176.300 -0.213 0.000 1.123 295 R CA 1.898 57.814 56.100 -0.306 0.000 0.975 295 R CB -0.334 29.637 30.300 -0.549 0.000 0.866 295 R HN 0.517 nan 8.270 nan 0.000 0.446 296 T N 1.285 115.716 114.554 -0.205 0.000 2.732 296 T HA -0.068 4.282 4.350 -0.000 0.000 0.261 296 T C 0.779 175.406 174.700 -0.122 0.000 1.040 296 T CA 0.593 62.609 62.100 -0.141 0.000 1.145 296 T CB -0.197 68.594 68.868 -0.127 0.000 0.866 296 T HN 0.046 nan 8.240 nan 0.000 0.427 300 V N 0.497 120.290 119.914 -0.203 0.000 3.177 300 V HA 0.194 4.313 4.120 -0.000 0.000 0.342 300 V C 1.755 177.703 176.094 -0.244 0.000 1.379 300 V CA 1.057 63.219 62.300 -0.229 0.000 1.191 300 V CB -0.115 31.628 31.823 -0.134 0.000 1.167 300 V HN 0.769 nan 8.190 nan 0.000 0.471 301 Q N 0.133 119.792 119.800 -0.235 0.000 2.197 301 Q HA -0.197 4.143 4.340 -0.000 0.000 0.207 301 Q C 1.431 177.287 176.000 -0.240 0.000 0.984 301 Q CA 2.020 57.704 55.803 -0.199 0.000 0.869 301 Q CB -0.339 28.299 28.738 -0.168 0.000 0.906 301 Q HN 0.618 nan 8.270 nan 0.000 0.426 302 E N 0.126 120.081 120.200 -0.409 0.000 2.481 302 E HA 0.034 4.384 4.350 -0.000 0.000 0.195 302 E C 1.002 177.333 176.600 -0.449 0.000 1.047 302 E CA 0.814 56.907 56.400 -0.511 0.000 0.867 302 E CB 0.671 29.831 29.700 -0.901 0.000 0.858 302 E HN 0.676 nan 8.360 nan 0.000 0.513 303 G N 0.973 109.571 108.800 -0.337 0.000 2.163 303 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.213 303 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.213 303 G C 0.051 175.007 174.900 0.094 0.000 0.991 303 G CA 0.071 45.137 45.100 -0.056 0.000 0.653 303 G HN 0.244 nan 8.290 nan 0.000 0.518 304 F N -3.048 116.870 119.950 -0.054 0.000 2.799 304 F HA 0.697 5.224 4.527 -0.000 0.000 0.316 304 F C -3.119 172.617 175.800 -0.108 0.000 1.155 304 F CA -2.625 55.339 58.000 -0.060 0.000 0.916 304 F CB 0.138 39.112 39.000 -0.043 0.000 1.294 304 F HN -0.036 nan 8.300 nan 0.000 0.447 305 P HA 0.270 nan 4.420 nan 0.000 0.267 305 P C -0.754 176.349 177.300 -0.329 0.000 1.205 305 P CA 0.263 63.233 63.100 -0.217 0.000 0.765 305 P CB 0.835 32.484 31.700 -0.086 0.000 0.828 306 T N 0.763 114.938 114.554 -0.631 0.000 2.952 306 T HA 0.637 4.987 4.350 -0.000 0.000 0.305 306 T C -1.063 173.280 174.700 -0.594 0.000 1.064 306 T CA -0.721 61.112 62.100 -0.445 0.000 1.008 306 T CB 0.657 69.374 68.868 -0.252 0.000 1.078 306 T HN 0.111 nan 8.240 nan 0.000 0.459 307 Y N 0.854 121.197 120.300 0.071 0.000 2.621 307 Y HA 0.910 5.460 4.550 -0.000 0.000 0.334 307 Y C 0.979 176.945 175.900 0.110 0.000 1.074 307 Y CA -0.338 57.833 58.100 0.117 0.000 1.149 307 Y CB 2.262 40.783 38.460 0.103 0.000 1.302 307 Y HN 1.356 nan 8.280 nan 0.000 0.501 308 G N -1.108 107.889 108.800 0.328 0.000 2.359 308 G HA2 0.484 4.444 3.960 -0.000 0.000 0.314 308 G HA3 0.484 4.444 3.960 -0.000 0.000 0.314 308 G C -0.911 174.078 174.900 0.149 0.000 1.364 308 G CA -0.104 45.088 45.100 0.154 0.000 0.978 308 G HN 1.345 nan 8.290 nan 0.000 0.615 309 G N -1.537 107.262 108.800 -0.001 0.000 2.322 309 G HA2 0.594 4.553 3.960 -0.000 0.000 0.295 309 G HA3 0.594 4.553 3.960 -0.000 0.000 0.295 309 G C -0.759 174.165 174.900 0.041 0.000 1.369 309 G CA -0.558 44.633 45.100 0.151 0.000 0.821 309 G HN 1.139 nan 8.290 nan 0.000 0.536 310 L N 1.180 122.476 121.223 0.122 0.000 2.485 310 L HA 0.245 4.585 4.340 -0.000 0.000 0.275 310 L C 1.417 178.310 176.870 0.038 0.000 1.207 310 L CA -0.294 54.589 54.840 0.071 0.000 0.855 310 L CB 0.470 42.586 42.059 0.095 0.000 1.114 310 L HN 0.801 nan 8.230 nan 0.000 0.485 311 E N 1.613 121.826 120.200 0.022 0.000 2.392 311 E HA 0.093 4.443 4.350 -0.000 0.000 0.259 311 E C 1.057 177.670 176.600 0.022 0.000 1.108 311 E CA -0.108 56.301 56.400 0.016 0.000 0.916 311 E CB 0.619 30.324 29.700 0.008 0.000 0.989 311 E HN 0.720 nan 8.360 nan 0.000 0.432 312 G N 2.114 110.924 108.800 0.016 0.000 2.476 312 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.218 312 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.218 312 G C 1.353 176.264 174.900 0.019 0.000 1.164 312 G CA 0.781 45.891 45.100 0.017 0.000 0.768 312 G HN 0.682 nan 8.290 nan 0.000 0.560 313 G N 0.965 109.772 108.800 0.012 0.000 2.442 313 G HA2 0.027 3.986 3.960 -0.000 0.000 0.219 313 G HA3 0.027 3.986 3.960 -0.000 0.000 0.219 313 G C 2.007 176.917 174.900 0.015 0.000 1.141 313 G CA 1.522 46.628 45.100 0.010 0.000 0.763 313 G HN 0.711 nan 8.290 nan 0.000 0.554 314 A N 0.379 123.212 122.820 0.021 0.000 1.930 314 A HA 0.137 4.457 4.320 -0.000 0.000 0.217 314 A C 2.436 180.044 177.584 0.040 0.000 1.175 314 A CA 1.556 53.610 52.037 0.028 0.000 0.627 314 A CB -0.272 18.748 19.000 0.033 0.000 0.815 314 A HN 0.392 nan 8.150 nan 0.000 0.443 315 M N -0.860 118.770 119.600 0.049 0.000 2.200 315 M HA -0.086 4.394 4.480 -0.000 0.000 0.265 315 M C 1.919 178.250 176.300 0.051 0.000 1.066 315 M CA 1.020 56.359 55.300 0.065 0.000 1.127 315 M CB -0.321 32.334 32.600 0.091 0.000 1.379 315 M HN 0.340 nan 8.290 nan 0.000 0.420 316 E N 0.308 120.530 120.200 0.037 0.000 2.077 316 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 316 E C 1.946 178.564 176.600 0.029 0.000 0.989 316 E CA 1.100 57.518 56.400 0.030 0.000 0.800 316 E CB -0.395 29.315 29.700 0.017 0.000 0.746 316 E HN 0.488 nan 8.360 nan 0.000 0.452 317 R N 0.653 121.167 120.500 0.023 0.000 2.081 317 R HA -0.131 4.209 4.340 -0.000 0.000 0.235 317 R C 2.413 178.731 176.300 0.029 0.000 1.131 317 R CA 0.947 57.057 56.100 0.016 0.000 0.960 317 R CB -0.246 30.058 30.300 0.006 0.000 0.856 317 R HN 0.100 nan 8.270 nan 0.000 0.436 318 L N 0.726 121.972 121.223 0.038 0.000 2.141 318 L HA 0.044 4.384 4.340 -0.000 0.000 0.209 318 L C 2.193 179.097 176.870 0.056 0.000 1.094 318 L CA 1.949 56.817 54.840 0.047 0.000 0.763 318 L CB -0.623 41.465 42.059 0.049 0.000 0.908 318 L HN 0.250 nan 8.230 nan 0.000 0.437 319 A N -1.299 121.557 122.820 0.060 0.000 1.978 319 A HA -0.135 4.185 4.320 -0.000 0.000 0.220 319 A C 2.199 179.875 177.584 0.154 0.000 1.170 319 A CA 2.036 54.123 52.037 0.083 0.000 0.636 319 A CB -0.815 18.229 19.000 0.074 0.000 0.810 319 A HN 0.321 nan 8.150 nan 0.000 0.448 320 V N -0.804 119.181 119.914 0.118 0.000 2.500 320 V HA -0.013 4.106 4.120 -0.000 0.000 0.243 320 V C 2.783 178.959 176.094 0.137 0.000 1.039 320 V CA 1.374 63.757 62.300 0.139 0.000 1.053 320 V CB -1.183 30.670 31.823 0.050 0.000 0.695 320 V HN 0.562 nan 8.190 nan 0.000 0.463 321 G N 0.287 109.133 108.800 0.076 0.000 2.442 321 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.219 321 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.219 321 G C 1.583 176.544 174.900 0.102 0.000 1.141 321 G CA 0.954 46.089 45.100 0.058 0.000 0.763 321 G HN 0.454 nan 8.290 nan 0.000 0.554 322 L N -1.211 120.065 121.223 0.088 0.000 2.127 322 L HA -0.120 4.220 4.340 -0.000 0.000 0.211 322 L C 2.646 179.520 176.870 0.006 0.000 1.089 322 L CA 1.049 55.924 54.840 0.059 0.000 0.757 322 L CB -0.367 41.606 42.059 -0.144 0.000 0.899 322 L HN 0.259 nan 8.230 nan 0.000 0.434 323 Y N -0.456 119.872 120.300 0.047 0.000 2.231 323 Y HA -0.166 4.384 4.550 -0.000 0.000 0.294 323 Y C 2.501 178.421 175.900 0.034 0.000 1.120 323 Y CA 0.880 58.994 58.100 0.024 0.000 1.141 323 Y CB -0.144 38.309 38.460 -0.012 0.000 1.022 323 Y HN 0.115 nan 8.280 nan 0.000 0.523 324 D N -0.493 120.009 120.400 0.171 0.000 2.182 324 D HA -0.141 4.499 4.640 -0.000 0.000 0.201 324 D C 2.289 178.617 176.300 0.046 0.000 0.986 324 D CA 1.391 55.423 54.000 0.055 0.000 0.847 324 D CB -0.648 40.123 40.800 -0.048 0.000 0.942 324 D HN 0.453 nan 8.370 nan 0.000 0.467 325 G N 0.063 108.913 108.800 0.083 0.000 2.471 325 G HA2 -0.187 3.772 3.960 -0.000 0.000 0.219 325 G HA3 -0.187 3.772 3.960 -0.000 0.000 0.219 325 G C 1.435 176.432 174.900 0.162 0.000 1.125 325 G CA 0.130 45.310 45.100 0.132 0.000 0.775 325 G HN 0.243 nan 8.290 nan 0.000 0.548 326 M N 0.116 119.794 119.600 0.129 0.000 2.495 326 M HA 0.138 4.618 4.480 -0.000 0.000 0.237 326 M C 0.647 177.036 176.300 0.148 0.000 1.131 326 M CA -0.359 54.998 55.300 0.095 0.000 1.032 326 M CB 0.041 32.700 32.600 0.098 0.000 1.513 326 M HN 0.116 nan 8.290 nan 0.000 0.488 327 N N 1.625 120.449 118.700 0.208 0.000 2.365 327 N HA -0.082 4.658 4.740 -0.000 0.000 0.265 327 N C 0.821 176.440 175.510 0.181 0.000 1.288 327 N CA -0.140 53.029 53.050 0.200 0.000 0.869 327 N CB 0.737 39.360 38.487 0.227 0.000 1.071 327 N HN 0.139 nan 8.380 nan 0.000 0.480 328 L N 3.950 125.253 121.223 0.134 0.000 2.012 328 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 328 L C 1.284 178.190 176.870 0.060 0.000 1.073 328 L CA 1.895 56.801 54.840 0.111 0.000 0.748 328 L CB -0.527 41.611 42.059 0.130 0.000 0.891 328 L HN 0.698 nan 8.230 nan 0.000 0.431 329 D N -1.023 119.436 120.400 0.098 0.000 2.117 329 D HA -0.279 4.361 4.640 -0.000 0.000 0.197 329 D C 1.921 178.287 176.300 0.109 0.000 0.987 329 D CA 1.598 55.650 54.000 0.086 0.000 0.829 329 D CB -0.612 40.248 40.800 0.099 0.000 0.961 329 D HN 0.683 nan 8.370 nan 0.000 0.460 330 W N 1.936 123.248 121.300 0.019 0.000 2.354 330 W HA -0.187 4.473 4.660 -0.000 0.000 0.315 330 W C 1.803 178.310 176.519 -0.020 0.000 1.206 330 W CA 0.676 58.056 57.345 0.059 0.000 1.290 330 W CB -0.440 29.045 29.460 0.043 0.000 1.152 330 W HN -0.052 nan 8.180 nan 0.000 0.489 331 L N 1.468 122.300 121.223 -0.652 0.000 2.017 331 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 331 L C 3.021 179.189 176.870 -1.169 0.000 1.073 331 L CA 1.762 56.007 54.840 -0.992 0.000 0.745 331 L CB -1.369 40.291 42.059 -0.664 0.000 0.894 331 L HN 0.027 nan 8.230 nan 0.000 0.432 332 A N -0.656 121.570 122.820 -0.990 0.000 1.908 332 A HA -0.302 4.018 4.320 -0.000 0.000 0.218 332 A C 2.209 179.501 177.584 -0.487 0.000 1.181 332 A CA 1.894 53.441 52.037 -0.817 0.000 0.627 332 A CB -0.945 17.912 19.000 -0.239 0.000 0.818 332 A HN 0.516 nan 8.150 nan 0.000 0.445 333 Y N 0.090 120.117 120.300 -0.456 0.000 2.163 333 Y HA -0.177 4.373 4.550 -0.000 0.000 0.288 333 Y C 2.562 178.185 175.900 -0.462 0.000 1.136 333 Y CA 2.136 60.027 58.100 -0.349 0.000 1.147 333 Y CB -0.279 38.090 38.460 -0.151 0.000 0.987 333 Y HN 0.211 nan 8.280 nan 0.000 0.509 334 R N 0.801 120.844 120.500 -0.762 0.000 2.080 334 R HA -0.181 4.159 4.340 -0.000 0.000 0.236 334 R C 2.022 177.969 176.300 -0.588 0.000 1.137 334 R CA 2.220 57.827 56.100 -0.823 0.000 0.943 334 R CB -0.961 28.603 30.300 -1.227 0.000 0.846 334 R HN 0.507 nan 8.270 nan 0.000 0.431 335 I N 1.148 121.370 120.570 -0.581 0.000 2.226 335 I HA -0.190 3.979 4.170 -0.000 0.000 0.245 335 I C 2.548 178.508 176.117 -0.262 0.000 1.100 335 I CA 1.568 62.653 61.300 -0.358 0.000 1.374 335 I CB -0.745 36.996 38.000 -0.431 0.000 1.057 335 I HN 0.207 nan 8.210 nan 0.000 0.413 336 A N -0.504 122.105 122.820 -0.351 0.000 1.933 336 A HA -0.285 4.035 4.320 -0.000 0.000 0.218 336 A C 2.345 179.721 177.584 -0.346 0.000 1.175 336 A CA 1.865 53.734 52.037 -0.279 0.000 0.628 336 A CB -0.748 18.074 19.000 -0.297 0.000 0.814 336 A HN 0.545 nan 8.150 nan 0.000 0.444 337 Q N -0.184 119.259 119.800 -0.596 0.000 2.084 337 Q HA -0.132 4.208 4.340 -0.000 0.000 0.202 337 Q C 1.920 177.840 176.000 -0.133 0.000 0.978 337 Q CA 2.025 57.494 55.803 -0.557 0.000 0.844 337 Q CB -0.237 28.111 28.738 -0.650 0.000 0.898 337 Q HN 0.388 nan 8.270 nan 0.000 0.426 338 V N 1.238 121.077 119.914 -0.125 0.000 2.295 338 V HA -0.303 3.816 4.120 -0.000 0.000 0.246 338 V C 2.273 178.372 176.094 0.009 0.000 1.049 338 V CA 2.242 64.529 62.300 -0.022 0.000 1.024 338 V CB -0.661 31.156 31.823 -0.011 0.000 0.648 338 V HN 0.466 nan 8.190 nan 0.000 0.447 339 Q N -1.379 118.421 119.800 -0.000 0.000 2.167 339 Q HA -0.231 4.109 4.340 -0.000 0.000 0.202 339 Q C 2.145 178.169 176.000 0.039 0.000 0.970 339 Q CA 1.984 57.797 55.803 0.016 0.000 0.855 339 Q CB -0.314 28.437 28.738 0.021 0.000 0.911 339 Q HN 0.802 nan 8.270 nan 0.000 0.438 340 Y N 1.156 121.418 120.300 -0.064 0.000 2.181 340 Y HA -0.247 4.302 4.550 -0.000 0.000 0.288 340 Y C 2.015 177.920 175.900 0.007 0.000 1.146 340 Y CA 1.112 59.202 58.100 -0.016 0.000 1.164 340 Y CB -0.086 38.382 38.460 0.013 0.000 0.982 340 Y HN 0.117 nan 8.280 nan 0.000 0.515 341 L N -0.489 120.818 121.223 0.139 0.000 2.017 341 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 341 L C 2.254 179.077 176.870 -0.079 0.000 1.073 341 L CA 1.731 56.598 54.840 0.044 0.000 0.745 341 L CB -1.098 41.011 42.059 0.083 0.000 0.894 341 L HN 0.151 nan 8.230 nan 0.000 0.432 342 V N 0.132 120.006 119.914 -0.066 0.000 2.287 342 V HA -0.311 3.808 4.120 -0.000 0.000 0.248 342 V C 2.314 178.338 176.094 -0.116 0.000 1.053 342 V CA 2.044 64.287 62.300 -0.094 0.000 1.027 342 V CB -0.906 30.879 31.823 -0.063 0.000 0.646 342 V HN 0.452 nan 8.190 nan 0.000 0.447 343 D N 0.685 121.013 120.400 -0.120 0.000 2.117 343 D HA -0.114 4.526 4.640 -0.000 0.000 0.197 343 D C 2.207 178.401 176.300 -0.177 0.000 0.987 343 D CA 1.629 55.548 54.000 -0.134 0.000 0.829 343 D CB -0.701 40.021 40.800 -0.130 0.000 0.961 343 D HN 0.472 nan 8.370 nan 0.000 0.460 344 G N 0.522 109.166 108.800 -0.259 0.000 2.422 344 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.218 344 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.218 344 G C 1.756 176.562 174.900 -0.157 0.000 1.146 344 G CA 0.283 45.232 45.100 -0.252 0.000 0.769 344 G HN 0.249 nan 8.290 nan 0.000 0.547 345 L N 0.051 121.175 121.223 -0.164 0.000 2.056 345 L HA -0.015 4.325 4.340 -0.000 0.000 0.207 345 L C 2.757 179.548 176.870 -0.133 0.000 1.078 345 L CA 1.457 56.189 54.840 -0.179 0.000 0.749 345 L CB -0.404 41.483 42.059 -0.287 0.000 0.901 345 L HN 0.358 nan 8.230 nan 0.000 0.433 346 E N 0.599 120.728 120.200 -0.118 0.000 2.118 346 E HA -0.313 4.037 4.350 -0.000 0.000 0.195 346 E C 2.050 178.610 176.600 -0.067 0.000 0.992 346 E CA 1.543 57.892 56.400 -0.084 0.000 0.804 346 E CB 0.016 29.671 29.700 -0.075 0.000 0.741 346 E HN 0.470 nan 8.360 nan 0.000 0.458 347 E N 0.584 120.739 120.200 -0.075 0.000 2.110 347 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 347 E C 2.089 178.664 176.600 -0.041 0.000 0.988 347 E CA 1.459 57.824 56.400 -0.058 0.000 0.804 347 E CB -0.284 29.374 29.700 -0.070 0.000 0.745 347 E HN 0.600 nan 8.360 nan 0.000 0.458 348 I N -3.823 116.723 120.570 -0.040 0.000 3.735 348 I HA 0.374 4.544 4.170 -0.000 0.000 0.310 348 I C 1.146 177.258 176.117 -0.008 0.000 1.270 348 I CA 0.586 61.877 61.300 -0.016 0.000 1.207 348 I CB 0.337 38.338 38.000 0.002 0.000 1.013 348 I HN 0.190 nan 8.210 nan 0.000 0.452 349 G N 1.195 109.984 108.800 -0.019 0.000 2.175 349 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.244 349 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.244 349 G C 0.131 175.027 174.900 -0.008 0.000 0.982 349 G CA 0.031 45.125 45.100 -0.010 0.000 0.641 349 G HN 0.283 nan 8.290 nan 0.000 0.527 350 V N 1.147 121.044 119.914 -0.029 0.000 2.555 350 V HA 0.521 4.641 4.120 -0.000 0.000 0.286 350 V C 1.090 177.150 176.094 -0.056 0.000 1.044 350 V CA -0.222 62.051 62.300 -0.044 0.000 1.026 350 V CB 1.476 33.211 31.823 -0.147 0.000 0.981 350 V HN 0.265 nan 8.190 nan 0.000 0.480 354 Q N -0.281 119.572 119.800 0.087 0.000 2.426 354 Q HA 0.780 5.120 4.340 -0.000 0.000 0.278 354 Q C -1.819 174.274 176.000 0.156 0.000 1.007 354 Q CA 0.106 55.947 55.803 0.063 0.000 0.850 354 Q CB 2.450 31.182 28.738 -0.009 0.000 1.427 354 Q HN 0.291 nan 8.270 nan 0.000 0.391 355 A N 0.252 123.103 122.820 0.051 0.000 2.465 355 A HA 0.900 5.220 4.320 -0.000 0.000 0.292 355 A C -0.583 176.980 177.584 -0.035 0.000 1.041 355 A CA 0.221 52.278 52.037 0.033 0.000 0.718 355 A CB 1.669 20.663 19.000 -0.010 0.000 1.266 355 A HN 0.734 nan 8.150 nan 0.000 0.403 356 G N 0.144 108.927 108.800 -0.029 0.000 2.976 356 G HA2 0.541 4.501 3.960 -0.000 0.000 0.276 356 G HA3 0.541 4.501 3.960 -0.000 0.000 0.276 356 G C 0.756 175.655 174.900 -0.001 0.000 1.207 356 G CA 0.374 45.423 45.100 -0.085 0.000 0.803 356 G HN 1.388 nan 8.290 nan 0.000 0.572 357 G N -1.122 107.696 108.800 0.029 0.000 2.448 357 G HA2 0.008 3.967 3.960 -0.000 0.000 0.218 357 G HA3 0.008 3.967 3.960 -0.000 0.000 0.218 357 G C 1.327 176.428 174.900 0.334 0.000 1.135 357 G CA 1.419 46.655 45.100 0.226 0.000 0.784 357 G HN 0.486 nan 8.290 nan 0.000 0.543 358 H N 0.503 119.633 119.070 0.099 0.000 2.343 358 H HA 0.523 5.079 4.556 -0.000 0.000 0.303 358 H C 1.315 176.681 175.328 0.064 0.000 1.068 358 H CA 0.469 56.592 56.048 0.125 0.000 1.359 358 H CB -0.006 29.866 29.762 0.183 0.000 1.402 358 H HN 0.461 nan 8.280 nan 0.000 0.515 359 A N -0.744 122.160 122.820 0.140 0.000 2.540 359 A HA 0.743 5.063 4.320 -0.000 0.000 0.291 359 A C -1.405 176.068 177.584 -0.184 0.000 1.083 359 A CA -0.221 51.758 52.037 -0.097 0.000 0.650 359 A CB 0.552 19.367 19.000 -0.309 0.000 1.292 359 A HN 0.351 nan 8.150 nan 0.000 0.435 360 A N -0.068 122.558 122.820 -0.324 0.000 2.330 360 A HA 0.766 5.086 4.320 -0.000 0.000 0.313 360 A C -1.456 175.902 177.584 -0.376 0.000 1.124 360 A CA -0.322 51.587 52.037 -0.214 0.000 0.774 360 A CB 0.238 19.155 19.000 -0.139 0.000 1.198 360 A HN 0.939 nan 8.150 nan 0.000 0.465 361 F N 2.901 122.851 119.950 0.001 0.000 2.291 361 F HA 0.340 4.867 4.527 -0.000 0.000 0.368 361 F C 0.342 176.148 175.800 0.010 0.000 1.085 361 F CA -0.494 57.520 58.000 0.023 0.000 1.165 361 F CB 1.405 40.422 39.000 0.028 0.000 1.429 361 F HN 0.290 nan 8.300 nan 0.000 0.503 362 V N 2.310 122.290 119.914 0.110 0.000 2.655 362 V HA -0.055 4.065 4.120 -0.000 0.000 0.300 362 V C 0.355 176.526 176.094 0.129 0.000 1.044 362 V CA -0.181 62.164 62.300 0.076 0.000 1.095 362 V CB 0.819 32.682 31.823 0.066 0.000 0.952 362 V HN 0.510 nan 8.190 nan 0.000 0.485 363 D N 3.806 124.264 120.400 0.097 0.000 2.422 363 D HA 0.327 4.967 4.640 -0.000 0.000 0.227 363 D C 0.836 177.196 176.300 0.099 0.000 1.190 363 D CA 0.161 54.218 54.000 0.094 0.000 0.905 363 D CB 1.535 42.374 40.800 0.065 0.000 1.034 363 D HN 0.629 nan 8.370 nan 0.000 0.507 364 A N 3.190 126.078 122.820 0.113 0.000 2.015 364 A HA 0.002 4.322 4.320 -0.000 0.000 0.219 364 A C 2.035 179.660 177.584 0.069 0.000 1.163 364 A CA 1.396 53.496 52.037 0.105 0.000 0.646 364 A CB -0.326 18.738 19.000 0.106 0.000 0.806 364 A HN 0.582 nan 8.150 nan 0.000 0.448 365 G N -0.095 108.740 108.800 0.060 0.000 2.421 365 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.216 365 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.216 365 G C 1.641 176.564 174.900 0.038 0.000 1.171 365 G CA 1.181 46.302 45.100 0.036 0.000 0.775 365 G HN 0.572 nan 8.290 nan 0.000 0.543 366 K N -0.389 120.039 120.400 0.048 0.000 2.097 366 K HA 0.056 4.376 4.320 -0.000 0.000 0.205 366 K C 2.353 178.990 176.600 0.061 0.000 1.050 366 K CA 0.767 57.082 56.287 0.047 0.000 0.938 366 K CB -0.181 32.344 32.500 0.042 0.000 0.718 366 K HN 0.258 nan 8.250 nan 0.000 0.442 367 L N 0.888 122.156 121.223 0.076 0.000 2.156 367 L HA 0.045 4.385 4.340 -0.000 0.000 0.208 367 L C 0.489 177.422 176.870 0.106 0.000 1.095 367 L CA 1.477 56.374 54.840 0.095 0.000 0.770 367 L CB 0.192 42.328 42.059 0.128 0.000 0.914 367 L HN 0.092 nan 8.230 nan 0.000 0.439 368 L N 1.292 122.566 121.223 0.086 0.000 2.637 368 L HA 0.309 4.649 4.340 -0.000 0.000 0.241 368 L C -1.585 175.286 176.870 0.000 0.000 1.398 368 L CA -0.940 53.950 54.840 0.082 0.000 0.895 368 L CB 0.664 42.716 42.059 -0.012 0.000 1.183 368 L HN -0.026 nan 8.230 nan 0.000 0.497 369 P HA -0.200 nan 4.420 nan 0.000 0.222 369 P C 1.109 178.441 177.300 0.053 0.000 1.147 369 P CA 1.372 64.510 63.100 0.062 0.000 0.790 369 P CB -0.066 31.683 31.700 0.081 0.000 0.780 370 H N -0.749 118.322 119.070 0.002 0.000 2.547 370 H HA 0.162 4.718 4.556 -0.000 0.000 0.272 370 H C 0.776 176.097 175.328 -0.011 0.000 0.989 370 H CA -0.112 55.933 56.048 -0.005 0.000 1.214 370 H CB -0.870 28.888 29.762 -0.006 0.000 1.389 370 H HN 0.156 nan 8.280 nan 0.000 0.577 371 I N 3.639 123.918 120.570 -0.485 0.000 2.325 371 I HA 0.218 4.388 4.170 -0.000 0.000 0.291 371 I C -2.250 173.764 176.117 -0.171 0.000 1.019 371 I CA -2.055 59.041 61.300 -0.341 0.000 1.302 371 I CB 1.345 39.113 38.000 -0.387 0.000 1.401 371 I HN -0.117 nan 8.210 nan 0.000 0.485 372 P HA 0.042 nan 4.420 nan 0.000 0.269 372 P C 0.528 177.756 177.300 -0.120 0.000 1.209 372 P CA -0.036 63.002 63.100 -0.103 0.000 0.776 372 P CB 0.976 32.616 31.700 -0.099 0.000 0.876 373 A N 3.669 126.443 122.820 -0.076 0.000 1.917 373 A HA -0.240 4.080 4.320 -0.000 0.000 0.219 373 A C 1.731 179.237 177.584 -0.131 0.000 1.182 373 A CA 2.155 54.165 52.037 -0.046 0.000 0.633 373 A CB -1.291 17.710 19.000 0.002 0.000 0.819 373 A HN 0.700 nan 8.150 nan 0.000 0.448 374 D N -0.666 119.615 120.400 -0.198 0.000 2.351 374 D HA -0.178 4.462 4.640 -0.000 0.000 0.216 374 D C 1.372 177.171 176.300 -0.836 0.000 0.968 374 D CA 1.146 54.924 54.000 -0.371 0.000 0.899 374 D CB -0.473 40.209 40.800 -0.198 0.000 0.907 374 D HN 0.641 nan 8.370 nan 0.000 0.514 375 Q N -0.704 118.735 119.800 -0.602 0.000 2.220 375 Q HA 0.182 4.522 4.340 -0.000 0.000 0.205 375 Q C -0.475 175.259 176.000 -0.444 0.000 0.865 375 Q CA -0.458 54.994 55.803 -0.585 0.000 0.960 375 Q CB -0.173 28.396 28.738 -0.281 0.000 1.097 375 Q HN 0.237 nan 8.270 nan 0.000 0.493 376 F N 0.340 120.254 119.950 -0.060 0.000 2.572 376 F HA -0.213 4.314 4.527 -0.000 0.000 0.282 376 F C -1.582 174.169 175.800 -0.082 0.000 1.047 376 F CA -0.461 57.502 58.000 -0.061 0.000 1.022 376 F CB -0.709 38.209 39.000 -0.136 0.000 1.226 376 F HN 0.220 nan 8.300 nan 0.000 0.827 377 P HA -0.210 nan 4.420 nan 0.000 0.220 377 P C 1.349 178.677 177.300 0.046 0.000 1.148 377 P CA 1.981 65.085 63.100 0.007 0.000 0.803 377 P CB 0.147 31.830 31.700 -0.028 0.000 0.782 378 A N -0.174 122.702 122.820 0.093 0.000 1.970 378 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 378 A C 2.422 180.042 177.584 0.061 0.000 1.170 378 A CA 1.346 53.441 52.037 0.097 0.000 0.645 378 A CB -1.036 18.044 19.000 0.134 0.000 0.816 378 A HN 0.127 nan 8.150 nan 0.000 0.447 379 Q N -0.029 119.788 119.800 0.027 0.000 2.137 379 Q HA 0.107 4.447 4.340 -0.000 0.000 0.198 379 Q C 1.988 177.944 176.000 -0.073 0.000 0.960 379 Q CA 1.769 57.516 55.803 -0.095 0.000 0.847 379 Q CB -0.529 27.997 28.738 -0.355 0.000 0.915 379 Q HN 0.508 nan 8.270 nan 0.000 0.448 380 A N 0.297 123.098 122.820 -0.033 0.000 1.902 380 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 380 A C 1.976 179.553 177.584 -0.010 0.000 1.181 380 A CA 1.498 53.520 52.037 -0.027 0.000 0.623 380 A CB -0.856 18.129 19.000 -0.025 0.000 0.818 380 A HN 0.478 nan 8.150 nan 0.000 0.443 381 L N -0.255 120.970 121.223 0.004 0.000 2.083 381 L HA -0.030 4.310 4.340 -0.000 0.000 0.209 381 L C 2.609 179.467 176.870 -0.021 0.000 1.083 381 L CA 2.105 56.946 54.840 0.002 0.000 0.752 381 L CB -0.794 41.291 42.059 0.044 0.000 0.899 381 L HN 0.335 nan 8.230 nan 0.000 0.433 382 A N -1.251 121.566 122.820 -0.004 0.000 1.902 382 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 382 A C 2.386 179.977 177.584 0.011 0.000 1.181 382 A CA 1.872 53.906 52.037 -0.005 0.000 0.623 382 A CB -1.473 17.520 19.000 -0.013 0.000 0.818 382 A HN 0.622 nan 8.150 nan 0.000 0.443 383 C N -1.197 118.106 119.300 0.006 0.000 2.446 383 C HA -0.037 4.423 4.460 -0.000 0.000 0.277 383 C C 2.704 177.736 174.990 0.071 0.000 1.275 383 C CA 1.341 60.388 59.018 0.049 0.000 1.727 383 C CB -0.965 26.783 27.740 0.013 0.000 2.010 383 C HN 0.766 nan 8.230 nan 0.000 0.486 384 E N 1.006 121.215 120.200 0.017 0.000 2.110 384 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 384 E C 1.978 178.549 176.600 -0.048 0.000 0.988 384 E CA 1.137 57.534 56.400 -0.006 0.000 0.804 384 E CB -0.437 29.256 29.700 -0.012 0.000 0.745 384 E HN 0.582 nan 8.360 nan 0.000 0.458 385 L N -0.367 120.808 121.223 -0.081 0.000 2.131 385 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 385 L C 2.244 179.095 176.870 -0.031 0.000 1.092 385 L CA 1.315 56.070 54.840 -0.142 0.000 0.759 385 L CB -0.464 41.468 42.059 -0.212 0.000 0.903 385 L HN 0.277 nan 8.230 nan 0.000 0.435 386 Y N 0.955 121.224 120.300 -0.051 0.000 2.184 386 Y HA -0.201 4.349 4.550 -0.000 0.000 0.290 386 Y C 2.499 178.404 175.900 0.009 0.000 1.129 386 Y CA 1.369 59.469 58.100 -0.000 0.000 1.144 386 Y CB -0.099 38.363 38.460 0.004 0.000 0.995 386 Y HN -0.035 nan 8.280 nan 0.000 0.513 387 K N -0.572 119.759 120.400 -0.115 0.000 2.020 387 K HA -0.172 4.147 4.320 -0.000 0.000 0.212 387 K C 1.986 178.457 176.600 -0.215 0.000 1.050 387 K CA 2.011 58.196 56.287 -0.170 0.000 0.929 387 K CB -0.555 31.921 32.500 -0.040 0.000 0.714 387 K HN 0.202 nan 8.250 nan 0.000 0.443 388 V N 0.193 119.993 119.914 -0.191 0.000 2.453 388 V HA -0.137 3.983 4.120 -0.000 0.000 0.247 388 V C 1.749 177.708 176.094 -0.225 0.000 1.048 388 V CA 2.032 64.177 62.300 -0.258 0.000 1.049 388 V CB -0.025 31.601 31.823 -0.328 0.000 0.672 388 V HN 0.436 nan 8.190 nan 0.000 0.457 389 A N -1.823 120.914 122.820 -0.139 0.000 2.600 389 A HA 0.531 4.851 4.320 -0.000 0.000 0.252 389 A C 1.561 179.278 177.584 0.221 0.000 1.200 389 A CA 0.771 52.853 52.037 0.075 0.000 0.981 389 A CB 0.623 19.649 19.000 0.044 0.000 1.207 389 A HN 1.158 nan 8.150 nan 0.000 0.577 390 G N 0.117 108.882 108.800 -0.058 0.000 2.160 390 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.251 390 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.251 390 G C 0.036 175.116 174.900 0.300 0.000 1.008 390 G CA 0.458 45.547 45.100 -0.019 0.000 0.724 390 G HN 0.526 nan 8.290 nan 0.000 0.514 391 I N -0.048 120.664 120.570 0.237 0.000 2.396 391 I HA 0.442 4.612 4.170 -0.000 0.000 0.292 391 I C 0.793 177.027 176.117 0.195 0.000 0.999 391 I CA -0.716 60.690 61.300 0.177 0.000 1.310 391 I CB 1.386 39.446 38.000 0.100 0.000 1.404 391 I HN 0.179 nan 8.210 nan 0.000 0.496 392 R N 5.395 125.961 120.500 0.110 0.000 2.393 392 R HA 0.801 5.141 4.340 -0.000 0.000 0.315 392 R C -1.366 174.929 176.300 -0.009 0.000 0.952 392 R CA -0.311 55.810 56.100 0.035 0.000 0.842 392 R CB 1.471 31.763 30.300 -0.013 0.000 1.163 392 R HN 0.791 nan 8.270 nan 0.000 0.450 393 A N 3.446 126.248 122.820 -0.030 0.000 2.515 393 A HA 0.618 4.938 4.320 -0.000 0.000 0.296 393 A C -1.296 176.249 177.584 -0.065 0.000 1.094 393 A CA -0.717 51.309 52.037 -0.018 0.000 0.718 393 A CB 2.002 21.029 19.000 0.046 0.000 1.307 393 A HN 0.458 nan 8.150 nan 0.000 0.408 394 V N 1.699 121.599 119.914 -0.025 0.000 2.481 394 V HA 0.316 4.436 4.120 -0.000 0.000 0.286 394 V C 0.454 176.624 176.094 0.127 0.000 1.042 394 V CA -0.595 61.714 62.300 0.015 0.000 0.928 394 V CB 1.497 33.389 31.823 0.114 0.000 0.986 394 V HN 0.914 nan 8.190 nan 0.000 0.462 395 E N 4.462 124.773 120.200 0.186 0.000 2.338 395 E HA 0.196 4.545 4.350 -0.000 0.000 0.272 395 E C -1.170 175.558 176.600 0.214 0.000 1.029 395 E CA -0.368 56.156 56.400 0.206 0.000 0.872 395 E CB 1.050 30.892 29.700 0.235 0.000 1.015 395 E HN 0.443 nan 8.360 nan 0.000 0.417 396 I N 4.749 125.440 120.570 0.203 0.000 2.750 396 I HA 0.362 4.532 4.170 -0.000 0.000 0.279 396 I C 0.447 176.647 176.117 0.139 0.000 1.206 396 I CA -0.245 61.161 61.300 0.177 0.000 1.101 396 I CB 0.167 38.332 38.000 0.275 0.000 1.431 396 I HN 0.584 nan 8.210 nan 0.000 0.551 397 G N 1.847 110.719 108.800 0.121 0.000 2.793 397 G HA2 0.283 4.243 3.960 -0.000 0.000 0.248 397 G HA3 0.283 4.243 3.960 -0.000 0.000 0.248 397 G C 0.413 175.392 174.900 0.132 0.000 1.198 397 G CA 0.004 45.182 45.100 0.129 0.000 0.865 397 G HN 0.134 nan 8.290 nan 0.000 0.534 398 S N -0.363 115.471 115.700 0.224 0.000 2.399 398 S HA -0.070 4.399 4.470 -0.000 0.000 0.231 398 S C 1.886 176.645 174.600 0.266 0.000 1.022 398 S CA 1.746 60.126 58.200 0.300 0.000 0.983 398 S CB -0.354 63.116 63.200 0.450 0.000 0.803 398 S HN 0.422 nan 8.310 nan 0.000 0.480 399 F N 2.336 122.207 119.950 -0.133 0.000 2.075 399 F HA -0.063 4.464 4.527 -0.000 0.000 0.297 399 F C 1.914 177.562 175.800 -0.254 0.000 1.113 399 F CA 1.056 58.665 58.000 -0.652 0.000 1.218 399 F CB -0.742 37.791 39.000 -0.778 0.000 0.984 399 F HN 0.170 nan 8.300 nan 0.000 0.472 400 L N -0.073 121.010 121.223 -0.232 0.000 2.056 400 L HA -0.116 4.223 4.340 -0.000 0.000 0.207 400 L C 2.224 178.887 176.870 -0.345 0.000 1.078 400 L CA 1.520 56.097 54.840 -0.438 0.000 0.749 400 L CB -1.200 40.682 42.059 -0.294 0.000 0.901 400 L HN 0.271 nan 8.230 nan 0.000 0.433 401 L N 0.380 121.510 121.223 -0.155 0.000 2.043 401 L HA 0.078 4.418 4.340 -0.000 0.000 0.212 401 L C 1.422 178.234 176.870 -0.097 0.000 1.075 401 L CA 1.589 56.372 54.840 -0.094 0.000 0.752 401 L CB -1.267 40.787 42.059 -0.009 0.000 0.891 401 L HN 0.650 nan 8.230 nan 0.000 0.432 402 G N -1.225 107.528 108.800 -0.077 0.000 2.681 402 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.220 402 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.220 402 G C -0.254 174.644 174.900 -0.004 0.000 1.353 402 G CA -0.002 45.060 45.100 -0.063 0.000 0.872 402 G HN 0.526 nan 8.290 nan 0.000 0.557 403 R N -0.090 120.393 120.500 -0.028 0.000 2.643 403 R HA 0.495 4.835 4.340 -0.000 0.000 0.272 403 R C -0.460 175.823 176.300 -0.027 0.000 0.995 403 R CA -0.641 55.451 56.100 -0.015 0.000 1.032 403 R CB 0.913 31.193 30.300 -0.033 0.000 1.126 403 R HN 0.597 nan 8.270 nan 0.000 0.505 404 D N 1.783 122.172 120.400 -0.017 0.000 2.358 404 D HA 0.063 4.702 4.640 -0.000 0.000 0.258 404 D C -1.696 174.587 176.300 -0.029 0.000 1.223 404 D CA -2.135 51.852 54.000 -0.021 0.000 0.886 404 D CB 1.292 42.084 40.800 -0.014 0.000 1.120 404 D HN 0.143 nan 8.370 nan 0.000 0.482 405 P HA -0.110 nan 4.420 nan 0.000 0.221 405 P C 0.632 177.915 177.300 -0.030 0.000 1.145 405 P CA 1.246 64.325 63.100 -0.035 0.000 0.795 405 P CB 0.286 31.964 31.700 -0.036 0.000 0.775 406 K N -1.799 118.586 120.400 -0.025 0.000 2.352 406 K HA 0.081 4.401 4.320 -0.000 0.000 0.194 406 K C 1.470 178.058 176.600 -0.019 0.000 1.038 406 K CA 1.407 57.681 56.287 -0.021 0.000 1.023 406 K CB 0.097 32.585 32.500 -0.019 0.000 0.840 406 K HN 0.254 nan 8.250 nan 0.000 0.519 407 T N -4.584 109.958 114.554 -0.018 0.000 2.958 407 T HA 0.185 4.534 4.350 -0.000 0.000 0.256 407 T C 1.385 176.075 174.700 -0.017 0.000 0.983 407 T CA 0.433 62.524 62.100 -0.015 0.000 0.924 407 T CB 0.834 69.695 68.868 -0.011 0.000 1.136 407 T HN 0.184 nan 8.240 nan 0.000 0.506 408 G N 2.736 111.522 108.800 -0.023 0.000 2.155 408 G HA2 -0.305 3.654 3.960 -0.000 0.000 0.257 408 G HA3 -0.305 3.654 3.960 -0.000 0.000 0.257 408 G C -0.060 174.828 174.900 -0.019 0.000 0.983 408 G CA 0.692 45.775 45.100 -0.029 0.000 0.676 408 G HN 1.030 nan 8.290 nan 0.000 0.528 409 K N -0.323 120.073 120.400 -0.007 0.000 2.098 409 K HA 0.693 5.013 4.320 -0.000 0.000 0.258 409 K C 0.247 176.861 176.600 0.023 0.000 0.973 409 K CA -0.962 55.330 56.287 0.009 0.000 0.898 409 K CB 1.223 33.728 32.500 0.008 0.000 1.057 409 K HN 0.066 nan 8.250 nan 0.000 0.447 410 Q N 2.288 122.118 119.800 0.051 0.000 2.286 410 Q HA 0.042 4.382 4.340 -0.000 0.000 0.290 410 Q C -0.981 175.055 176.000 0.059 0.000 1.049 410 Q CA 0.378 56.232 55.803 0.086 0.000 0.923 410 Q CB 0.371 29.183 28.738 0.123 0.000 1.183 410 Q HN 0.629 nan 8.270 nan 0.000 0.383 411 L N 7.157 128.414 121.223 0.056 0.000 2.417 411 L HA 0.410 4.750 4.340 -0.000 0.000 0.268 411 L C -1.755 175.142 176.870 0.044 0.000 1.158 411 L CA -2.057 52.803 54.840 0.033 0.000 0.819 411 L CB 0.708 42.777 42.059 0.015 0.000 1.112 411 L HN 0.732 nan 8.230 nan 0.000 0.458 412 P HA 0.028 nan 4.420 nan 0.000 0.276 412 P C -1.039 176.277 177.300 0.027 0.000 1.230 412 P CA -0.376 62.741 63.100 0.027 0.000 0.776 412 P CB 1.230 32.938 31.700 0.013 0.000 0.888 413 C N 5.620 124.943 119.300 0.037 0.000 2.408 413 C HA 0.462 4.922 4.460 -0.000 0.000 0.321 413 C C -0.933 174.071 174.990 0.024 0.000 1.245 413 C CA -1.657 57.383 59.018 0.036 0.000 1.523 413 C CB 0.438 28.218 27.740 0.067 0.000 2.178 413 C HN 0.501 nan 8.230 nan 0.000 0.488 414 P HA 0.107 nan 4.420 nan 0.000 0.215 414 P C -0.107 177.197 177.300 0.008 0.000 1.153 414 P CA 1.308 64.406 63.100 -0.002 0.000 0.853 414 P CB 0.221 31.907 31.700 -0.023 0.000 0.788 415 A N -1.484 121.348 122.820 0.020 0.000 2.604 415 A HA 0.465 4.784 4.320 -0.000 0.000 0.295 415 A C -1.414 176.207 177.584 0.062 0.000 1.067 415 A CA -0.689 51.369 52.037 0.034 0.000 0.683 415 A CB 1.115 20.130 19.000 0.024 0.000 1.281 415 A HN -0.201 nan 8.150 nan 0.000 0.407 416 E N 1.868 122.114 120.200 0.076 0.000 2.028 416 E HA 0.467 4.816 4.350 -0.000 0.000 0.266 416 E C -0.929 175.743 176.600 0.119 0.000 0.962 416 E CA 0.031 56.495 56.400 0.106 0.000 0.784 416 E CB 0.754 30.515 29.700 0.102 0.000 1.114 416 E HN 0.518 nan 8.360 nan 0.000 0.414 417 L N 2.295 123.605 121.223 0.146 0.000 2.334 417 L HA 0.523 4.863 4.340 -0.000 0.000 0.272 417 L C -0.309 176.688 176.870 0.212 0.000 1.020 417 L CA -1.302 53.654 54.840 0.194 0.000 0.812 417 L CB 1.162 43.373 42.059 0.253 0.000 1.264 417 L HN 0.236 nan 8.230 nan 0.000 0.439 418 L N 2.523 123.871 121.223 0.209 0.000 2.343 418 L HA 0.462 4.802 4.340 -0.000 0.000 0.278 418 L C -0.309 176.634 176.870 0.122 0.000 0.996 418 L CA -0.186 54.758 54.840 0.174 0.000 0.831 418 L CB 1.408 43.576 42.059 0.181 0.000 1.232 418 L HN 0.519 nan 8.230 nan 0.000 0.413 419 R N 5.238 125.779 120.500 0.067 0.000 2.308 419 R HA 0.602 4.942 4.340 -0.000 0.000 0.305 419 R C -1.513 174.716 176.300 -0.119 0.000 1.053 419 R CA -0.471 55.529 56.100 -0.168 0.000 0.957 419 R CB 0.590 30.810 30.300 -0.134 0.000 1.022 419 R HN 0.748 nan 8.270 nan 0.000 0.461 420 L N 4.663 125.765 121.223 -0.201 0.000 2.319 420 L HA 0.382 4.722 4.340 -0.000 0.000 0.281 420 L C 0.031 176.844 176.870 -0.096 0.000 1.005 420 L CA -0.764 54.027 54.840 -0.082 0.000 0.828 420 L CB 1.854 43.888 42.059 -0.042 0.000 1.227 420 L HN 0.783 nan 8.230 nan 0.000 0.415 421 T N 0.539 115.080 114.554 -0.022 0.000 2.932 421 T HA 0.761 5.111 4.350 -0.000 0.000 0.289 421 T C -0.408 174.331 174.700 0.066 0.000 1.039 421 T CA -0.692 61.421 62.100 0.021 0.000 1.024 421 T CB 2.090 70.991 68.868 0.055 0.000 1.090 421 T HN 0.350 nan 8.240 nan 0.000 0.496 422 I N 2.320 122.946 120.570 0.094 0.000 2.448 422 I HA 0.337 4.507 4.170 -0.000 0.000 0.281 422 I C -2.593 173.624 176.117 0.167 0.000 1.027 422 I CA -2.599 58.786 61.300 0.142 0.000 1.111 422 I CB 2.016 40.092 38.000 0.127 0.000 1.236 422 I HN 0.417 nan 8.210 nan 0.000 0.452 423 P HA 0.093 nan 4.420 nan 0.000 0.265 423 P C -0.512 176.882 177.300 0.155 0.000 1.193 423 P CA -0.091 63.092 63.100 0.139 0.000 0.765 423 P CB 0.428 32.186 31.700 0.097 0.000 0.823 424 R N 3.069 123.674 120.500 0.174 0.000 2.537 424 R HA 0.336 4.676 4.340 -0.000 0.000 0.280 424 R C 0.811 177.241 176.300 0.217 0.000 1.058 424 R CA 0.369 56.661 56.100 0.321 0.000 1.057 424 R CB -0.069 30.468 30.300 0.395 0.000 0.973 424 R HN 0.617 nan 8.270 nan 0.000 0.438 425 A N 2.353 125.435 122.820 0.437 0.000 2.704 425 A HA -0.225 4.094 4.320 -0.000 0.000 0.299 425 A C 0.834 178.435 177.584 0.029 0.000 1.507 425 A CA 1.656 53.836 52.037 0.237 0.000 0.776 425 A CB -1.743 17.063 19.000 -0.323 0.000 1.027 425 A HN 0.876 nan 8.150 nan 0.000 0.475 426 T N -2.431 112.127 114.554 0.006 0.000 3.058 426 T HA 0.375 4.725 4.350 -0.000 0.000 0.247 426 T C 0.399 174.822 174.700 -0.462 0.000 0.987 426 T CA 1.208 63.116 62.100 -0.320 0.000 1.062 426 T CB 0.130 68.673 68.868 -0.543 0.000 1.048 426 T HN 0.476 nan 8.240 nan 0.000 0.468 427 Y N 1.794 122.150 120.300 0.093 0.000 2.587 427 Y HA 0.583 5.133 4.550 -0.000 0.000 0.337 427 Y C 0.846 176.950 175.900 0.340 0.000 1.065 427 Y CA -1.523 56.629 58.100 0.087 0.000 1.126 427 Y CB 1.031 39.416 38.460 -0.125 0.000 1.279 427 Y HN 0.017 nan 8.280 nan 0.000 0.489 428 T N -2.866 112.099 114.554 0.684 0.000 2.922 428 T HA 0.198 4.547 4.350 -0.000 0.000 0.281 428 T C 0.903 175.678 174.700 0.126 0.000 1.005 428 T CA -0.674 61.627 62.100 0.336 0.000 0.982 428 T CB 1.383 70.340 68.868 0.148 0.000 1.158 428 T HN 0.757 nan 8.240 nan 0.000 0.566 429 Q N -0.154 119.462 119.800 -0.307 0.000 2.170 429 Q HA -0.134 4.206 4.340 -0.000 0.000 0.203 429 Q C 1.832 177.737 176.000 -0.158 0.000 0.976 429 Q CA 2.063 57.491 55.803 -0.625 0.000 0.858 429 Q CB -0.774 27.256 28.738 -1.180 0.000 0.907 429 Q HN 0.861 nan 8.270 nan 0.000 0.433 430 T N -0.423 114.055 114.554 -0.127 0.000 2.821 430 T HA -0.143 4.206 4.350 -0.000 0.000 0.267 430 T C 1.104 175.813 174.700 0.014 0.000 1.046 430 T CA 1.676 63.736 62.100 -0.067 0.000 1.139 430 T CB -0.350 68.425 68.868 -0.154 0.000 0.871 430 T HN 0.544 nan 8.240 nan 0.000 0.454 431 H N 0.459 119.581 119.070 0.086 0.000 2.357 431 H HA 0.076 4.631 4.556 -0.000 0.000 0.301 431 H C 2.385 177.808 175.328 0.157 0.000 1.082 431 H CA 1.057 57.144 56.048 0.064 0.000 1.342 431 H CB -0.090 29.653 29.762 -0.032 0.000 1.389 431 H HN 0.125 nan 8.280 nan 0.000 0.511 432 M N 0.520 120.295 119.600 0.292 0.000 2.108 432 M HA -0.165 4.315 4.480 -0.000 0.000 0.261 432 M C 1.294 177.782 176.300 0.314 0.000 1.066 432 M CA 1.271 56.756 55.300 0.310 0.000 1.107 432 M CB -0.538 32.311 32.600 0.415 0.000 1.356 432 M HN 0.295 nan 8.290 nan 0.000 0.406 433 D N -0.484 120.102 120.400 0.310 0.000 2.178 433 D HA -0.112 4.528 4.640 -0.000 0.000 0.202 433 D C 1.881 178.327 176.300 0.242 0.000 0.974 433 D CA 0.840 54.995 54.000 0.258 0.000 0.841 433 D CB -0.364 40.568 40.800 0.220 0.000 0.953 433 D HN 0.300 nan 8.370 nan 0.000 0.478 434 F N 1.144 121.172 119.950 0.130 0.000 2.146 434 F HA -0.097 4.430 4.527 -0.000 0.000 0.298 434 F C 2.188 178.069 175.800 0.135 0.000 1.096 434 F CA 0.977 59.056 58.000 0.131 0.000 1.275 434 F CB 0.005 39.110 39.000 0.175 0.000 1.008 434 F HN -0.142 nan 8.300 nan 0.000 0.480 435 I N -0.065 120.696 120.570 0.318 0.000 2.202 435 I HA -0.319 3.851 4.170 -0.000 0.000 0.242 435 I C 2.275 178.560 176.117 0.280 0.000 1.091 435 I CA 1.379 62.840 61.300 0.268 0.000 1.368 435 I CB -0.513 37.645 38.000 0.263 0.000 1.058 435 I HN 0.107 nan 8.210 nan 0.000 0.410 436 I N 0.595 121.289 120.570 0.207 0.000 2.226 436 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 436 I C 2.606 178.802 176.117 0.131 0.000 1.100 436 I CA 1.361 62.754 61.300 0.156 0.000 1.374 436 I CB -0.330 37.710 38.000 0.067 0.000 1.057 436 I HN 0.225 nan 8.210 nan 0.000 0.413 437 E N 1.388 121.621 120.200 0.055 0.000 2.110 437 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 437 E C 2.081 178.660 176.600 -0.036 0.000 0.988 437 E CA 1.521 57.913 56.400 -0.013 0.000 0.804 437 E CB -0.136 29.508 29.700 -0.094 0.000 0.745 437 E HN 0.424 nan 8.360 nan 0.000 0.458 438 A N -0.355 122.411 122.820 -0.091 0.000 1.877 438 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 438 A C 2.114 179.661 177.584 -0.061 0.000 1.186 438 A CA 1.421 53.368 52.037 -0.149 0.000 0.620 438 A CB -0.984 17.899 19.000 -0.196 0.000 0.822 438 A HN 0.365 nan 8.150 nan 0.000 0.443 439 F N 0.064 120.013 119.950 -0.002 0.000 2.186 439 F HA -0.108 4.418 4.527 -0.000 0.000 0.299 439 F C 2.295 178.109 175.800 0.024 0.000 1.090 439 F CA 1.861 59.872 58.000 0.019 0.000 1.307 439 F CB -0.051 38.955 39.000 0.011 0.000 1.019 439 F HN 0.205 nan 8.300 nan 0.000 0.489 440 K N -0.555 119.960 120.400 0.191 0.000 2.057 440 K HA -0.261 4.059 4.320 -0.000 0.000 0.207 440 K C 2.353 179.000 176.600 0.078 0.000 1.049 440 K CA 1.596 57.947 56.287 0.107 0.000 0.931 440 K CB -0.417 32.125 32.500 0.070 0.000 0.714 440 K HN 0.305 nan 8.250 nan 0.000 0.440 441 H N 0.295 119.353 119.070 -0.020 0.000 2.357 441 H HA -0.068 4.488 4.556 -0.000 0.000 0.301 441 H C 1.946 177.252 175.328 -0.038 0.000 1.082 441 H CA 1.675 57.696 56.048 -0.044 0.000 1.342 441 H CB 0.032 29.744 29.762 -0.083 0.000 1.389 441 H HN 0.056 nan 8.280 nan 0.000 0.511 442 V N 1.556 121.545 119.914 0.125 0.000 2.295 442 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 442 V C 2.754 178.864 176.094 0.027 0.000 1.049 442 V CA 2.211 64.548 62.300 0.062 0.000 1.024 442 V CB -0.593 31.216 31.823 -0.023 0.000 0.648 442 V HN 0.346 nan 8.190 nan 0.000 0.447 443 K N 0.047 120.481 120.400 0.056 0.000 2.152 443 K HA -0.269 4.051 4.320 -0.000 0.000 0.206 443 K C 2.175 178.771 176.600 -0.006 0.000 1.048 443 K CA 2.031 58.349 56.287 0.051 0.000 0.933 443 K CB -0.117 32.428 32.500 0.075 0.000 0.721 443 K HN 0.611 nan 8.250 nan 0.000 0.447 444 E N 0.034 120.200 120.200 -0.057 0.000 2.152 444 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 444 E C 0.910 177.430 176.600 -0.133 0.000 0.983 444 E CA 0.998 57.334 56.400 -0.107 0.000 0.818 444 E CB 0.105 29.707 29.700 -0.164 0.000 0.758 444 E HN 0.250 nan 8.360 nan 0.000 0.467 445 N N -0.676 117.932 118.700 -0.153 0.000 2.234 445 N HA 0.168 4.908 4.740 -0.000 0.000 0.227 445 N C 0.787 176.267 175.510 -0.051 0.000 1.151 445 N CA 0.635 53.611 53.050 -0.123 0.000 0.865 445 N CB 0.472 38.860 38.487 -0.164 0.000 1.066 445 N HN 0.203 nan 8.380 nan 0.000 0.515 446 A N 0.859 123.665 122.820 -0.023 0.000 1.869 446 A HA -0.176 4.143 4.320 -0.000 0.000 0.218 446 A C 2.364 179.943 177.584 -0.008 0.000 1.203 446 A CA 2.040 54.100 52.037 0.038 0.000 0.638 446 A CB -1.427 17.609 19.000 0.060 0.000 0.831 446 A HN 0.422 nan 8.150 nan 0.000 0.450 447 A N -0.221 122.503 122.820 -0.160 0.000 2.042 447 A HA -0.237 4.082 4.320 -0.000 0.000 0.222 447 A C 1.699 179.048 177.584 -0.392 0.000 1.167 447 A CA 1.934 53.715 52.037 -0.428 0.000 0.649 447 A CB -0.659 18.186 19.000 -0.259 0.000 0.809 447 A HN 0.641 nan 8.150 nan 0.000 0.457 448 N N -0.540 118.073 118.700 -0.145 0.000 2.336 448 N HA 0.148 4.888 4.740 -0.000 0.000 0.189 448 N C 0.100 175.633 175.510 0.039 0.000 1.113 448 N CA 0.159 53.175 53.050 -0.056 0.000 0.858 448 N CB 0.130 38.594 38.487 -0.038 0.000 0.970 448 N HN 0.498 nan 8.380 nan 0.000 0.471 449 I N 1.796 122.438 120.570 0.120 0.000 2.496 449 I HA 0.022 4.192 4.170 -0.000 0.000 0.285 449 I C 0.529 176.775 176.117 0.216 0.000 1.080 449 I CA 0.014 61.406 61.300 0.153 0.000 1.404 449 I CB 0.607 38.691 38.000 0.140 0.000 1.403 449 I HN -0.269 nan 8.210 nan 0.000 0.539 450 K N 4.073 124.533 120.400 0.099 0.000 2.087 450 K HA 0.496 4.816 4.320 -0.000 0.000 0.255 450 K C 0.394 176.992 176.600 -0.002 0.000 0.988 450 K CA -0.614 55.710 56.287 0.062 0.000 0.915 450 K CB 1.181 33.703 32.500 0.036 0.000 1.043 450 K HN 0.743 nan 8.250 nan 0.000 0.457 451 G N 0.963 109.741 108.800 -0.037 0.000 2.580 451 G HA2 0.452 4.412 3.960 -0.000 0.000 0.278 451 G HA3 0.452 4.412 3.960 -0.000 0.000 0.278 451 G C -0.581 174.277 174.900 -0.070 0.000 1.212 451 G CA -0.667 44.384 45.100 -0.082 0.000 0.939 451 G HN 0.357 nan 8.290 nan 0.000 0.513 452 L N -0.986 120.180 121.223 -0.095 0.000 2.323 452 L HA 0.733 5.073 4.340 -0.000 0.000 0.265 452 L C 0.091 176.885 176.870 -0.126 0.000 1.012 452 L CA -0.800 53.989 54.840 -0.085 0.000 0.820 452 L CB 2.633 44.650 42.059 -0.070 0.000 1.334 452 L HN 0.599 nan 8.230 nan 0.000 0.427 453 T N 0.227 114.723 114.554 -0.097 0.000 2.956 453 T HA 0.544 4.894 4.350 -0.000 0.000 0.312 453 T C -0.774 173.914 174.700 -0.020 0.000 1.151 453 T CA -0.454 61.605 62.100 -0.068 0.000 1.024 453 T CB 0.654 69.523 68.868 0.003 0.000 1.140 453 T HN 0.188 nan 8.240 nan 0.000 0.473 454 F N 2.371 122.424 119.950 0.172 0.000 2.553 454 F HA 0.277 4.804 4.527 -0.000 0.000 0.356 454 F C 2.148 178.022 175.800 0.122 0.000 1.142 454 F CA 0.652 58.749 58.000 0.162 0.000 1.322 454 F CB 1.007 40.099 39.000 0.153 0.000 1.126 454 F HN 0.751 nan 8.300 nan 0.000 0.599 455 T N -1.708 113.058 114.554 0.353 0.000 2.966 455 T HA 0.163 4.513 4.350 -0.000 0.000 0.254 455 T C -0.757 174.134 174.700 0.319 0.000 0.961 455 T CA -0.134 62.120 62.100 0.257 0.000 0.915 455 T CB -0.111 68.873 68.868 0.193 0.000 1.186 455 T HN 0.485 nan 8.240 nan 0.000 0.505 456 Y N 1.193 121.631 120.300 0.231 0.000 2.390 456 Y HA 0.595 5.145 4.550 -0.000 0.000 0.324 456 Y C -1.940 174.079 175.900 0.199 0.000 1.151 456 Y CA -1.465 56.733 58.100 0.164 0.000 1.053 456 Y CB 1.638 40.175 38.460 0.128 0.000 1.277 456 Y HN 0.255 nan 8.280 nan 0.000 0.432 457 E N 8.159 127.930 120.200 -0.715 0.000 2.281 457 E HA 0.531 4.881 4.350 -0.000 0.000 0.266 457 E C -2.997 173.167 176.600 -0.727 0.000 0.893 457 E CA -2.145 53.834 56.400 -0.701 0.000 0.798 457 E CB 2.004 31.200 29.700 -0.841 0.000 1.245 457 E HN 0.454 nan 8.360 nan 0.000 0.410 458 P HA 0.123 nan 4.420 nan 0.000 0.274 458 P C 0.269 177.416 177.300 -0.254 0.000 1.246 458 P CA -0.572 62.322 63.100 -0.343 0.000 0.795 458 P CB 0.765 32.353 31.700 -0.187 0.000 1.006 459 K N -0.020 120.282 120.400 -0.163 0.000 2.155 459 K HA 0.083 4.403 4.320 -0.000 0.000 0.203 459 K C 0.689 177.217 176.600 -0.119 0.000 1.052 459 K CA 0.792 56.999 56.287 -0.134 0.000 0.948 459 K CB -0.187 32.262 32.500 -0.086 0.000 0.728 459 K HN 0.289 nan 8.250 nan 0.000 0.448 460 V N 0.206 120.058 119.914 -0.104 0.000 3.007 460 V HA 0.277 4.397 4.120 -0.000 0.000 0.311 460 V C -0.505 175.531 176.094 -0.096 0.000 1.120 460 V CA -1.020 61.228 62.300 -0.087 0.000 0.980 460 V CB 1.437 33.228 31.823 -0.053 0.000 1.033 460 V HN 0.311 nan 8.190 nan 0.000 0.429 461 L N 4.731 125.898 121.223 -0.095 0.000 3.739 461 L HA -0.221 4.119 4.340 -0.000 0.000 0.442 461 L C 1.997 178.687 176.870 -0.300 0.000 1.241 461 L CA 1.170 55.916 54.840 -0.157 0.000 0.819 461 L CB -1.169 40.838 42.059 -0.087 0.000 1.679 461 L HN 0.949 nan 8.230 nan 0.000 0.889 462 R N 0.230 120.594 120.500 -0.228 0.000 2.159 462 R HA -0.197 4.143 4.340 -0.000 0.000 0.237 462 R C 2.133 178.221 176.300 -0.353 0.000 1.131 462 R CA 1.783 57.729 56.100 -0.257 0.000 0.982 462 R CB -0.587 29.562 30.300 -0.252 0.000 0.868 462 R HN 0.776 nan 8.270 nan 0.000 0.453 463 H N -0.008 118.622 119.070 -0.734 0.000 2.457 463 H HA -0.098 4.457 4.556 -0.000 0.000 0.297 463 H C 1.586 176.722 175.328 -0.320 0.000 1.092 463 H CA 1.278 56.844 56.048 -0.803 0.000 1.309 463 H CB -0.880 28.381 29.762 -0.835 0.000 1.382 463 H HN 0.365 nan 8.280 nan 0.000 0.535 464 F N 1.837 121.267 119.950 -0.866 0.000 2.206 464 F HA -0.079 4.448 4.527 -0.000 0.000 0.298 464 F C 2.068 177.752 175.800 -0.193 0.000 1.090 464 F CA 1.341 58.900 58.000 -0.735 0.000 1.323 464 F CB 0.349 38.911 39.000 -0.731 0.000 1.028 464 F HN 0.376 nan 8.300 nan 0.000 0.492 465 T N -3.181 111.445 114.554 0.120 0.000 3.144 465 T HA 0.519 4.869 4.350 -0.000 0.000 0.290 465 T C 0.299 175.208 174.700 0.349 0.000 0.966 465 T CA -0.143 62.092 62.100 0.226 0.000 0.907 465 T CB -0.317 68.680 68.868 0.215 0.000 1.152 465 T HN 0.086 nan 8.240 nan 0.000 0.532 466 A N 1.767 124.777 122.820 0.317 0.000 2.425 466 A HA 0.595 4.915 4.320 -0.000 0.000 0.242 466 A C 0.065 177.925 177.584 0.461 0.000 1.077 466 A CA -0.209 52.071 52.037 0.405 0.000 0.781 466 A CB 0.319 19.641 19.000 0.537 0.000 1.020 466 A HN 0.510 nan 8.150 nan 0.000 0.494 467 K N 0.710 121.398 120.400 0.481 0.000 2.324 467 K HA 0.648 4.968 4.320 -0.000 0.000 0.253 467 K C -1.523 175.237 176.600 0.265 0.000 0.932 467 K CA -0.430 56.054 56.287 0.327 0.000 0.799 467 K CB 1.672 34.354 32.500 0.304 0.000 1.154 467 K HN 0.509 nan 8.250 nan 0.000 0.425 468 L N 1.494 122.787 121.223 0.117 0.000 2.277 468 L HA 0.577 4.917 4.340 -0.000 0.000 0.254 468 L C -0.722 176.164 176.870 0.028 0.000 1.044 468 L CA -0.779 54.081 54.840 0.033 0.000 0.842 468 L CB 1.467 43.446 42.059 -0.134 0.000 1.422 468 L HN 0.606 nan 8.230 nan 0.000 0.422 469 K N -1.294 119.114 120.400 0.013 0.000 2.480 469 K HA 0.641 4.960 4.320 -0.000 0.000 0.258 469 K C -1.210 175.387 176.600 -0.005 0.000 0.990 469 K CA -0.894 55.403 56.287 0.015 0.000 0.857 469 K CB 2.007 34.529 32.500 0.036 0.000 1.384 469 K HN 0.443 nan 8.250 nan 0.000 0.446 470 E N 0.862 121.062 120.200 -0.000 0.000 2.373 470 E HA 0.172 4.522 4.350 -0.000 0.000 0.263 470 E C -0.264 176.334 176.600 -0.003 0.000 1.073 470 E CA -0.695 55.702 56.400 -0.005 0.000 0.894 470 E CB 1.446 31.148 29.700 0.004 0.000 1.008 470 E HN 0.275 nan 8.360 nan 0.000 0.420 471 V N 0.000 119.908 119.914 -0.010 0.000 2.409 471 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 471 V CA 0.000 62.295 62.300 -0.008 0.000 1.235 471 V CB 0.000 31.808 31.823 -0.026 0.000 1.184 471 V HN 0.000 nan 8.190 nan 0.000 0.556