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 3mw0_1_B DATA FIRST_RESID 3 DATA SEQUENCE PDEITTAWPV NVGPLNPHLY TPNQMFAQSM VYEPLVKYQA DGSVIPWLAK DATA SEQUENCE SWTHSEDGKT WTFTLRDDVK FSNGEPFDAE AAAENFRAVL DNRQRHAWLE DATA SEQUENCE LANQIVDVKA LSKTELQITL KSAYYPFLQE LALPRPFRFI APSQFKNHET DATA SEQUENCE MNGIKAPIGT GPWILQESKL NQYDVFVRNE NYWGEKPAIK KITFNVIPDP DATA SEQUENCE TTRAVAFETG DIDLLYGNEG LLPLDTFARF SQNPAYHTQL SQPIETVMLA DATA SEQUENCE LNTAKAPTNE LAVREALNYA VNKKSLIDNA LYGTQQVADT LFAPSVPYAN DATA SEQUENCE LGLKPSQYDP QKAKALLEKA GWTLPAGKDI REKNGQPLRI ELSFIGTDAL DATA SEQUENCE SKSMAEIIQA DMRQIGADVS LIGEEESSIY ARQRDGRFGM IFHRTWGAPY DATA SEQUENCE DPHAFLSSMR VPSHADFQAQ QGLADKPLID KEIGEVLATH DETQRQALYR DATA SEQUENCE DILTRLHDEA VYLPISYISM MVVSKPELGN IPYAPIATEI PFEQIKP 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 3 P HA 0.000 nan 4.420 nan 0.000 0.216 3 P C 0.000 177.303 177.300 0.005 0.000 1.155 3 P CA 0.000 63.098 63.100 -0.003 0.000 0.800 3 P CB 0.000 31.698 31.700 -0.003 0.000 0.726 4 D N 1.319 121.725 120.400 0.011 0.000 2.722 4 D HA 0.231 4.874 4.640 0.006 0.000 0.239 4 D C -0.199 176.118 176.300 0.028 0.000 1.249 4 D CA 0.058 54.073 54.000 0.025 0.000 0.830 4 D CB 0.313 41.132 40.800 0.031 0.000 1.025 4 D HN 0.401 nan 8.370 nan 0.000 0.486 5 E N 0.402 120.606 120.200 0.006 0.000 2.256 5 E HA 0.508 4.862 4.350 0.006 0.000 0.268 5 E C -0.394 176.183 176.600 -0.038 0.000 0.877 5 E CA -0.951 55.441 56.400 -0.013 0.000 0.757 5 E CB 2.505 32.193 29.700 -0.020 0.000 1.183 5 E HN 0.299 nan 8.360 nan 0.000 0.418 6 I N -1.293 119.230 120.570 -0.078 0.000 2.603 6 I HA 0.609 4.782 4.170 0.006 0.000 0.300 6 I C -0.476 175.540 176.117 -0.169 0.000 1.017 6 I CA -0.628 60.611 61.300 -0.100 0.000 1.098 6 I CB 2.225 40.174 38.000 -0.085 0.000 1.279 6 I HN 0.167 nan 8.210 nan 0.000 0.437 7 T N 3.310 117.787 114.554 -0.129 0.000 2.779 7 T HA 0.521 4.874 4.350 0.006 0.000 0.280 7 T C -0.145 174.478 174.700 -0.128 0.000 0.987 7 T CA -0.408 61.603 62.100 -0.147 0.000 0.966 7 T CB 1.617 70.438 68.868 -0.079 0.000 0.933 7 T HN 0.875 nan 8.240 nan 0.000 0.442 8 T N 1.061 115.479 114.554 -0.228 0.000 2.633 8 T HA 0.872 5.225 4.350 0.006 0.000 0.262 8 T C -1.461 173.255 174.700 0.026 0.000 0.920 8 T CA -0.405 61.629 62.100 -0.109 0.000 1.062 8 T CB 1.212 69.982 68.868 -0.164 0.000 1.390 8 T HN 0.809 nan 8.240 nan 0.000 0.549 9 A N 0.084 123.018 122.820 0.190 0.000 2.556 9 A HA 0.736 5.059 4.320 0.006 0.000 0.294 9 A C -1.956 175.954 177.584 0.544 0.000 1.091 9 A CA -0.722 51.502 52.037 0.312 0.000 0.704 9 A CB 1.413 20.535 19.000 0.203 0.000 1.300 9 A HN 0.732 nan 8.150 nan 0.000 0.406 10 W N 1.568 123.005 121.300 0.227 0.000 3.296 10 W HA 0.409 5.072 4.660 0.005 0.000 0.314 10 W C -2.656 173.944 176.519 0.135 0.000 1.238 10 W CA -1.794 55.662 57.345 0.185 0.000 1.193 10 W CB 2.371 31.987 29.460 0.261 0.000 1.383 10 W HN 0.532 nan 8.180 nan 0.000 0.545 11 P HA -0.106 nan 4.420 nan 0.000 0.226 11 P C 0.302 177.598 177.300 -0.006 0.000 1.153 11 P CA 1.378 64.380 63.100 -0.164 0.000 0.777 11 P CB 0.268 31.783 31.700 -0.308 0.000 0.794 12 V N -5.172 114.819 119.914 0.130 0.000 3.160 12 V HA 0.491 4.614 4.120 0.006 0.000 0.310 12 V C -0.336 175.935 176.094 0.295 0.000 1.181 12 V CA -1.626 60.786 62.300 0.186 0.000 1.047 12 V CB 1.144 33.053 31.823 0.143 0.000 1.068 12 V HN -0.289 nan 8.190 nan 0.000 0.441 13 N N -0.079 118.721 118.700 0.167 0.000 2.371 13 N HA 0.315 5.059 4.740 0.006 0.000 0.243 13 N C 1.160 176.724 175.510 0.090 0.000 1.287 13 N CA 0.358 53.479 53.050 0.117 0.000 0.911 13 N CB 1.362 39.866 38.487 0.029 0.000 1.142 13 N HN 0.896 nan 8.380 nan 0.000 0.451 14 V N -1.120 118.786 119.914 -0.014 0.000 3.141 14 V HA 0.271 4.395 4.120 0.006 0.000 0.265 14 V C 1.024 177.040 176.094 -0.130 0.000 1.126 14 V CA 0.906 63.112 62.300 -0.157 0.000 1.141 14 V CB -1.618 30.040 31.823 -0.275 0.000 0.743 14 V HN 0.893 nan 8.190 nan 0.000 0.492 15 G N 0.919 109.675 108.800 -0.075 0.000 2.660 15 G HA2 -0.144 3.819 3.960 0.006 0.000 0.215 15 G HA3 -0.144 3.819 3.960 0.006 0.000 0.215 15 G C -1.458 173.395 174.900 -0.078 0.000 1.345 15 G CA -0.091 44.968 45.100 -0.069 0.000 0.877 15 G HN 0.383 nan 8.290 nan 0.000 0.549 16 P HA 0.207 nan 4.420 nan 0.000 0.249 16 P C 1.130 178.403 177.300 -0.045 0.000 1.229 16 P CA 0.841 63.904 63.100 -0.062 0.000 0.788 16 P CB -0.051 31.615 31.700 -0.057 0.000 1.072 17 L N -1.543 119.653 121.223 -0.045 0.000 3.634 17 L HA -0.185 4.158 4.340 0.006 0.000 0.423 17 L C 0.305 177.205 176.870 0.050 0.000 1.253 17 L CA -0.138 54.715 54.840 0.022 0.000 0.885 17 L CB -2.512 39.582 42.059 0.058 0.000 1.789 17 L HN 0.206 nan 8.230 nan 0.000 0.904 18 N N 2.585 121.236 118.700 -0.081 0.000 2.438 18 N HA 0.093 4.836 4.740 0.006 0.000 0.267 18 N C -0.860 174.434 175.510 -0.361 0.000 1.222 18 N CA -1.191 51.735 53.050 -0.207 0.000 0.930 18 N CB 1.116 39.488 38.487 -0.191 0.000 1.083 18 N HN 0.140 nan 8.380 nan 0.000 0.476 19 P HA -0.050 nan 4.420 nan 0.000 0.233 19 P C -0.178 176.706 177.300 -0.693 0.000 1.167 19 P CA 1.272 63.815 63.100 -0.928 0.000 0.770 19 P CB 0.103 30.799 31.700 -1.674 0.000 0.837 20 H N -2.087 116.725 119.070 -0.430 0.000 2.784 20 H HA 0.343 4.903 4.556 0.006 0.000 0.273 20 H C 0.815 175.911 175.328 -0.385 0.000 1.112 20 H CA -0.490 55.309 56.048 -0.414 0.000 1.162 20 H CB 0.408 29.964 29.762 -0.343 0.000 1.586 20 H HN 0.044 nan 8.280 nan 0.000 0.548 21 L N -0.392 120.625 121.223 -0.343 0.000 2.271 21 L HA 0.373 4.716 4.340 0.006 0.000 0.265 21 L C -0.394 176.146 176.870 -0.550 0.000 1.013 21 L CA -1.104 53.507 54.840 -0.382 0.000 0.820 21 L CB 1.349 43.308 42.059 -0.168 0.000 1.352 21 L HN 0.098 nan 8.230 nan 0.000 0.443 22 Y N -0.945 119.339 120.300 -0.027 0.000 3.248 22 Y HA 0.207 4.760 4.550 0.005 0.000 0.373 22 Y C 1.041 176.898 175.900 -0.072 0.000 1.239 22 Y CA -0.248 57.821 58.100 -0.052 0.000 1.021 22 Y CB -0.064 38.362 38.460 -0.057 0.000 1.195 22 Y HN 0.343 nan 8.280 nan 0.000 0.890 23 T N 3.468 118.092 114.554 0.118 0.000 2.946 23 T HA 0.031 4.384 4.350 0.006 0.000 0.311 23 T C -1.722 172.970 174.700 -0.013 0.000 1.063 23 T CA -0.924 61.184 62.100 0.013 0.000 1.139 23 T CB 0.241 69.088 68.868 -0.036 0.000 0.994 23 T HN 0.325 nan 8.240 nan 0.000 0.547 24 P HA 0.108 nan 4.420 nan 0.000 0.257 24 P C -0.397 176.886 177.300 -0.028 0.000 1.281 24 P CA -0.146 62.939 63.100 -0.024 0.000 0.826 24 P CB -0.132 31.550 31.700 -0.030 0.000 1.237 25 N N 1.253 119.924 118.700 -0.048 0.000 2.483 25 N HA 0.063 4.806 4.740 0.006 0.000 0.264 25 N C 0.149 175.609 175.510 -0.083 0.000 1.197 25 N CA 0.121 53.120 53.050 -0.085 0.000 0.927 25 N CB 0.204 38.625 38.487 -0.111 0.000 1.065 25 N HN 0.020 nan 8.380 nan 0.000 0.461 26 Q N 2.398 122.099 119.800 -0.164 0.000 2.274 26 Q HA 0.179 4.523 4.340 0.006 0.000 0.256 26 Q C 0.820 176.620 176.000 -0.333 0.000 0.927 26 Q CA -0.102 55.580 55.803 -0.202 0.000 0.939 26 Q CB 1.391 29.936 28.738 -0.323 0.000 1.201 26 Q HN 0.713 nan 8.270 nan 0.000 0.426 27 M N 1.638 121.159 119.600 -0.132 0.000 2.082 27 M HA -0.219 4.265 4.480 0.006 0.000 0.258 27 M C 1.656 177.864 176.300 -0.153 0.000 1.069 27 M CA 1.978 57.226 55.300 -0.087 0.000 1.102 27 M CB -0.522 32.099 32.600 0.035 0.000 1.336 27 M HN 0.676 nan 8.290 nan 0.000 0.404 28 F N 0.185 120.034 119.950 -0.168 0.000 2.216 28 F HA -0.013 4.518 4.527 0.007 0.000 0.300 28 F C 2.221 177.860 175.800 -0.268 0.000 1.085 28 F CA 1.030 58.894 58.000 -0.227 0.000 1.326 28 F CB -0.983 37.797 39.000 -0.367 0.000 1.027 28 F HN 0.007 nan 8.300 nan 0.000 0.497 29 A N 0.424 122.408 122.820 -1.394 0.000 1.930 29 A HA -0.090 4.234 4.320 0.006 0.000 0.215 29 A C 2.234 179.580 177.584 -0.396 0.000 1.176 29 A CA 1.195 52.614 52.037 -1.029 0.000 0.632 29 A CB -0.816 17.513 19.000 -1.119 0.000 0.819 29 A HN 0.566 nan 8.150 nan 0.000 0.445 30 Q N -0.123 119.523 119.800 -0.258 0.000 2.096 30 Q HA -0.120 4.224 4.340 0.006 0.000 0.204 30 Q C 2.292 178.343 176.000 0.084 0.000 0.982 30 Q CA 1.828 57.648 55.803 0.028 0.000 0.850 30 Q CB -0.181 28.563 28.738 0.011 0.000 0.901 30 Q HN 0.609 nan 8.270 nan 0.000 0.422 31 S N 0.195 115.894 115.700 -0.002 0.000 2.453 31 S HA -0.049 4.424 4.470 0.006 0.000 0.231 31 S C 1.775 176.412 174.600 0.062 0.000 1.005 31 S CA 0.805 59.038 58.200 0.054 0.000 0.949 31 S CB -0.034 63.195 63.200 0.050 0.000 0.774 31 S HN 0.315 nan 8.310 nan 0.000 0.510 32 M N 0.310 119.903 119.600 -0.012 0.000 2.175 32 M HA -0.035 4.448 4.480 0.006 0.000 0.264 32 M C 1.790 178.139 176.300 0.082 0.000 1.063 32 M CA 1.181 56.518 55.300 0.062 0.000 1.119 32 M CB -0.197 32.247 32.600 -0.259 0.000 1.377 32 M HN 0.159 nan 8.290 nan 0.000 0.415 33 V N -1.871 117.998 119.914 -0.075 0.000 2.949 33 V HA -0.028 4.096 4.120 0.006 0.000 0.245 33 V C 0.028 175.917 176.094 -0.342 0.000 1.086 33 V CA 0.705 62.843 62.300 -0.271 0.000 1.097 33 V CB -0.228 31.267 31.823 -0.546 0.000 0.762 33 V HN 0.196 nan 8.190 nan 0.000 0.470 34 Y N -0.033 120.332 120.300 0.108 0.000 2.509 34 Y HA 0.666 5.219 4.550 0.006 0.000 0.341 34 Y C 0.174 176.169 175.900 0.159 0.000 1.038 34 Y CA -1.358 56.816 58.100 0.124 0.000 1.089 34 Y CB 1.250 39.733 38.460 0.040 0.000 1.241 34 Y HN 0.076 nan 8.280 nan 0.000 0.468 35 E N 3.509 123.952 120.200 0.406 0.000 2.312 35 E HA 0.440 4.793 4.350 0.006 0.000 0.267 35 E C -2.803 174.038 176.600 0.401 0.000 0.894 35 E CA -2.296 54.355 56.400 0.418 0.000 0.773 35 E CB 2.651 32.694 29.700 0.572 0.000 1.241 35 E HN 0.252 nan 8.360 nan 0.000 0.432 36 P HA 0.227 nan 4.420 nan 0.000 0.283 36 P C 0.493 178.035 177.300 0.404 0.000 1.278 36 P CA -0.495 62.797 63.100 0.319 0.000 0.834 36 P CB 1.333 33.123 31.700 0.151 0.000 1.150 37 L N -0.082 121.335 121.223 0.324 0.000 2.083 37 L HA -0.027 4.316 4.340 0.006 0.000 0.209 37 L C 1.177 178.148 176.870 0.168 0.000 1.083 37 L CA 1.397 56.328 54.840 0.152 0.000 0.752 37 L CB -0.529 41.442 42.059 -0.147 0.000 0.899 37 L HN 0.265 nan 8.230 nan 0.000 0.433 38 V N -3.802 116.172 119.914 0.099 0.000 2.789 38 V HA 0.465 4.588 4.120 0.006 0.000 0.311 38 V C -0.654 175.502 176.094 0.103 0.000 1.073 38 V CA -1.068 61.302 62.300 0.117 0.000 0.921 38 V CB 2.205 33.943 31.823 -0.142 0.000 1.009 38 V HN -0.028 nan 8.190 nan 0.000 0.426 39 K N 2.638 123.108 120.400 0.116 0.000 2.206 39 K HA 0.442 4.765 4.320 0.006 0.000 0.264 39 K C -1.520 175.090 176.600 0.016 0.000 0.967 39 K CA -0.775 55.468 56.287 -0.074 0.000 0.844 39 K CB 1.624 33.863 32.500 -0.435 0.000 1.099 39 K HN 0.891 nan 8.250 nan 0.000 0.441 40 Y N 3.473 123.717 120.300 -0.092 0.000 2.359 40 Y HA 0.055 4.609 4.550 0.005 0.000 0.330 40 Y C -0.343 175.538 175.900 -0.031 0.000 1.143 40 Y CA 0.281 58.355 58.100 -0.044 0.000 1.318 40 Y CB 0.812 39.245 38.460 -0.045 0.000 1.234 40 Y HN 0.453 nan 8.280 nan 0.000 0.522 41 Q N 4.264 123.622 119.800 -0.737 0.000 2.301 41 Q HA 0.458 4.801 4.340 0.006 0.000 0.267 41 Q C 0.754 176.320 176.000 -0.723 0.000 1.035 41 Q CA -0.006 55.480 55.803 -0.528 0.000 0.856 41 Q CB 1.893 30.478 28.738 -0.255 0.000 1.337 41 Q HN 0.927 nan 8.270 nan 0.000 0.450 42 A N 1.939 124.573 122.820 -0.310 0.000 1.986 42 A HA -0.228 4.095 4.320 0.006 0.000 0.220 42 A C 1.241 178.742 177.584 -0.140 0.000 1.171 42 A CA 2.272 54.217 52.037 -0.153 0.000 0.640 42 A CB -0.446 18.533 19.000 -0.035 0.000 0.811 42 A HN 0.806 nan 8.150 nan 0.000 0.451 43 D N -1.945 118.364 120.400 -0.151 0.000 2.378 43 D HA 0.210 4.853 4.640 0.006 0.000 0.227 43 D C 1.201 177.451 176.300 -0.084 0.000 1.012 43 D CA 1.185 55.133 54.000 -0.088 0.000 0.905 43 D CB -0.643 40.124 40.800 -0.056 0.000 0.895 43 D HN 0.907 nan 8.370 nan 0.000 0.532 44 G N -0.198 108.485 108.800 -0.196 0.000 2.194 44 G HA2 -0.268 3.695 3.960 0.006 0.000 0.236 44 G HA3 -0.268 3.695 3.960 0.006 0.000 0.236 44 G C 0.423 175.332 174.900 0.015 0.000 0.987 44 G CA 0.469 45.562 45.100 -0.012 0.000 0.635 44 G HN 0.843 nan 8.290 nan 0.000 0.520 45 S N -0.685 114.962 115.700 -0.089 0.000 2.713 45 S HA 0.842 5.315 4.470 0.006 0.000 0.277 45 S C 0.379 174.978 174.600 -0.003 0.000 1.168 45 S CA 0.068 58.279 58.200 0.019 0.000 0.994 45 S CB 2.082 65.313 63.200 0.051 0.000 1.054 45 S HN 1.830 nan 8.310 nan 0.000 0.555 46 V N -0.809 119.176 119.914 0.118 0.000 2.715 46 V HA 0.818 4.942 4.120 0.006 0.000 0.310 46 V C -0.310 175.936 176.094 0.254 0.000 1.054 46 V CA -1.180 61.209 62.300 0.149 0.000 0.928 46 V CB 0.788 32.690 31.823 0.132 0.000 1.007 46 V HN 1.068 nan 8.190 nan 0.000 0.437 47 I N -0.005 120.721 120.570 0.261 0.000 2.648 47 I HA 0.786 4.960 4.170 0.006 0.000 0.304 47 I C -2.690 173.750 176.117 0.537 0.000 1.009 47 I CA -2.828 58.692 61.300 0.366 0.000 1.114 47 I CB 1.834 40.001 38.000 0.277 0.000 1.293 47 I HN 0.359 nan 8.210 nan 0.000 0.449 48 P HA -0.024 nan 4.420 nan 0.000 0.265 48 P C -0.871 176.821 177.300 0.653 0.000 1.193 48 P CA 0.218 63.730 63.100 0.687 0.000 0.765 48 P CB 0.497 32.453 31.700 0.426 0.000 0.823 49 W N 2.753 124.228 121.300 0.291 0.000 4.485 49 W HA 0.071 4.735 4.660 0.006 0.000 0.171 49 W C 1.072 177.610 176.519 0.031 0.000 3.441 49 W CA 0.012 57.510 57.345 0.255 0.000 1.218 49 W CB -0.429 29.196 29.460 0.276 0.000 2.098 49 W HN -0.006 nan 8.180 nan 0.000 0.366 50 L N 1.834 123.112 121.223 0.092 0.000 2.156 50 L HA 0.146 4.489 4.340 0.006 0.000 0.208 50 L C 1.225 178.072 176.870 -0.038 0.000 1.095 50 L CA 1.308 56.005 54.840 -0.239 0.000 0.770 50 L CB -1.529 40.381 42.059 -0.249 0.000 0.914 50 L HN 0.059 nan 8.230 nan 0.000 0.439 51 A N -0.885 122.030 122.820 0.159 0.000 2.269 51 A HA 0.193 4.517 4.320 0.006 0.000 0.302 51 A C 1.383 179.184 177.584 0.361 0.000 1.266 51 A CA -0.356 51.862 52.037 0.301 0.000 0.894 51 A CB 0.251 19.534 19.000 0.472 0.000 1.147 51 A HN 0.217 nan 8.150 nan 0.000 0.537 52 K N 1.448 121.979 120.400 0.218 0.000 2.097 52 K HA -0.053 4.270 4.320 0.006 0.000 0.205 52 K C 0.609 177.305 176.600 0.159 0.000 1.050 52 K CA 1.589 57.962 56.287 0.143 0.000 0.938 52 K CB -0.028 32.497 32.500 0.043 0.000 0.718 52 K HN 0.897 nan 8.250 nan 0.000 0.442 53 S N -1.990 113.851 115.700 0.235 0.000 2.643 53 S HA 0.589 5.063 4.470 0.006 0.000 0.270 53 S C -1.899 172.899 174.600 0.330 0.000 1.166 53 S CA -1.089 57.132 58.200 0.033 0.000 0.815 53 S CB 0.950 64.104 63.200 -0.076 0.000 1.139 53 S HN 0.376 nan 8.310 nan 0.000 0.472 54 W N -0.361 120.991 121.300 0.087 0.000 3.419 54 W HA 0.696 5.359 4.660 0.005 0.000 0.298 54 W C -1.351 175.143 176.519 -0.042 0.000 1.260 54 W CA -0.461 56.862 57.345 -0.037 0.000 1.199 54 W CB 0.535 29.861 29.460 -0.222 0.000 1.349 54 W HN 0.998 nan 8.180 nan 0.000 0.557 55 T N -0.501 114.103 114.554 0.083 0.000 2.861 55 T HA 0.540 4.893 4.350 0.006 0.000 0.287 55 T C -0.436 174.127 174.700 -0.229 0.000 1.003 55 T CA -0.686 61.353 62.100 -0.101 0.000 0.977 55 T CB 1.254 70.026 68.868 -0.161 0.000 0.996 55 T HN 0.882 nan 8.240 nan 0.000 0.448 56 H N 1.303 120.058 119.070 -0.524 0.000 2.496 56 H HA 0.658 5.217 4.556 0.006 0.000 0.342 56 H C 0.178 175.185 175.328 -0.535 0.000 1.170 56 H CA -0.724 54.735 56.048 -0.983 0.000 1.274 56 H CB 1.117 29.763 29.762 -1.860 0.000 1.538 56 H HN 0.789 nan 8.280 nan 0.000 0.542 57 S N 0.744 116.220 115.700 -0.373 0.000 2.614 57 S HA -0.024 4.450 4.470 0.006 0.000 0.265 57 S C 1.000 175.519 174.600 -0.135 0.000 1.303 57 S CA -0.035 58.031 58.200 -0.223 0.000 1.000 57 S CB 0.900 64.014 63.200 -0.143 0.000 0.935 57 S HN 0.786 nan 8.310 nan 0.000 0.551 58 E N 1.376 121.508 120.200 -0.114 0.000 2.086 58 E HA -0.299 4.054 4.350 0.006 0.000 0.205 58 E C 1.156 177.746 176.600 -0.017 0.000 1.027 58 E CA 1.838 58.204 56.400 -0.058 0.000 0.830 58 E CB -0.645 29.019 29.700 -0.060 0.000 0.751 58 E HN 0.918 nan 8.360 nan 0.000 0.456 59 D N -0.019 120.360 120.400 -0.035 0.000 2.349 59 D HA 0.035 4.678 4.640 0.006 0.000 0.224 59 D C 1.285 177.574 176.300 -0.019 0.000 1.029 59 D CA 0.652 54.633 54.000 -0.032 0.000 0.879 59 D CB -0.029 40.748 40.800 -0.040 0.000 0.906 59 D HN 0.386 nan 8.370 nan 0.000 0.528 60 G N 0.656 109.442 108.800 -0.024 0.000 2.179 60 G HA2 -0.380 3.583 3.960 0.006 0.000 0.257 60 G HA3 -0.380 3.583 3.960 0.006 0.000 0.257 60 G C 0.870 175.811 174.900 0.068 0.000 1.010 60 G CA 0.700 45.779 45.100 -0.035 0.000 0.736 60 G HN 0.496 nan 8.290 nan 0.000 0.513 61 K N -1.114 119.295 120.400 0.015 0.000 2.391 61 K HA 0.179 4.503 4.320 0.006 0.000 0.197 61 K C 0.459 177.100 176.600 0.069 0.000 1.087 61 K CA 0.622 56.940 56.287 0.050 0.000 1.012 61 K CB 0.842 33.346 32.500 0.006 0.000 0.925 61 K HN 0.244 nan 8.250 nan 0.000 0.547 62 T N 0.854 115.419 114.554 0.019 0.000 2.815 62 T HA 0.328 4.681 4.350 0.006 0.000 0.289 62 T C -1.512 173.190 174.700 0.003 0.000 1.000 62 T CA -0.559 61.568 62.100 0.045 0.000 0.958 62 T CB 0.650 69.513 68.868 -0.007 0.000 0.944 62 T HN 0.046 nan 8.240 nan 0.000 0.442 63 W N 2.276 123.556 121.300 -0.034 0.000 2.606 63 W HA 0.576 5.240 4.660 0.006 0.000 0.332 63 W C 0.320 176.832 176.519 -0.012 0.000 1.052 63 W CA -0.757 56.575 57.345 -0.021 0.000 1.223 63 W CB 1.400 30.881 29.460 0.034 0.000 1.383 63 W HN 0.557 nan 8.180 nan 0.000 0.524 64 T N 0.280 114.901 114.554 0.111 0.000 2.840 64 T HA 0.677 5.030 4.350 0.006 0.000 0.287 64 T C -1.106 173.645 174.700 0.085 0.000 0.991 64 T CA -0.637 61.542 62.100 0.133 0.000 0.964 64 T CB 0.373 69.292 68.868 0.085 0.000 0.954 64 T HN 0.119 nan 8.240 nan 0.000 0.438 65 F N 1.798 121.903 119.950 0.258 0.000 2.421 65 F HA 0.504 5.034 4.527 0.006 0.000 0.337 65 F C 1.053 176.965 175.800 0.186 0.000 1.105 65 F CA -0.717 57.459 58.000 0.293 0.000 1.049 65 F CB 2.048 41.199 39.000 0.251 0.000 1.139 65 F HN 0.506 nan 8.300 nan 0.000 0.479 66 T N 5.202 119.965 114.554 0.349 0.000 2.743 66 T HA 0.465 4.818 4.350 0.006 0.000 0.292 66 T C 0.015 174.833 174.700 0.196 0.000 0.972 66 T CA -0.550 61.670 62.100 0.200 0.000 0.967 66 T CB 0.166 69.103 68.868 0.115 0.000 0.926 66 T HN 0.273 nan 8.240 nan 0.000 0.459 67 L N 3.103 124.396 121.223 0.117 0.000 2.418 67 L HA 0.455 4.798 4.340 0.006 0.000 0.265 67 L C 1.245 178.113 176.870 -0.003 0.000 1.143 67 L CA -1.050 53.831 54.840 0.069 0.000 0.809 67 L CB 0.485 42.535 42.059 -0.014 0.000 1.124 67 L HN 0.426 nan 8.230 nan 0.000 0.456 68 R N 1.240 121.701 120.500 -0.065 0.000 2.697 68 R HA -0.065 4.278 4.340 0.006 0.000 0.265 68 R C 0.145 176.371 176.300 -0.122 0.000 1.009 68 R CA 0.180 56.186 56.100 -0.158 0.000 1.099 68 R CB 0.313 30.379 30.300 -0.390 0.000 0.965 68 R HN 0.698 nan 8.270 nan 0.000 0.428 69 D N 0.007 120.340 120.400 -0.111 0.000 2.398 69 D HA -0.077 4.566 4.640 0.006 0.000 0.210 69 D C 0.335 176.586 176.300 -0.082 0.000 1.094 69 D CA 0.092 54.042 54.000 -0.084 0.000 0.839 69 D CB 0.207 40.972 40.800 -0.058 0.000 0.963 69 D HN 0.564 nan 8.370 nan 0.000 0.506 70 D N 0.449 120.779 120.400 -0.116 0.000 2.402 70 D HA 0.035 4.678 4.640 0.006 0.000 0.216 70 D C -0.073 176.166 176.300 -0.102 0.000 1.128 70 D CA -0.382 53.566 54.000 -0.087 0.000 0.833 70 D CB 0.242 41.002 40.800 -0.067 0.000 0.971 70 D HN -0.016 nan 8.370 nan 0.000 0.503 71 V N 1.101 120.917 119.914 -0.163 0.000 2.427 71 V HA 0.313 4.437 4.120 0.006 0.000 0.286 71 V C 0.143 176.185 176.094 -0.088 0.000 1.034 71 V CA -0.571 61.597 62.300 -0.221 0.000 0.893 71 V CB 1.723 33.219 31.823 -0.544 0.000 0.982 71 V HN -0.008 nan 8.190 nan 0.000 0.452 72 K N 3.917 124.294 120.400 -0.037 0.000 2.316 72 K HA 0.563 4.886 4.320 0.006 0.000 0.251 72 K C -0.604 176.003 176.600 0.011 0.000 0.934 72 K CA -0.605 55.696 56.287 0.023 0.000 0.802 72 K CB 2.140 34.693 32.500 0.088 0.000 1.171 72 K HN 0.364 nan 8.250 nan 0.000 0.426 73 F N 0.751 120.797 119.950 0.160 0.000 2.532 73 F HA -0.131 4.399 4.527 0.006 0.000 0.323 73 F C 2.198 178.075 175.800 0.128 0.000 1.234 73 F CA 0.553 58.648 58.000 0.158 0.000 1.323 73 F CB 0.340 39.438 39.000 0.164 0.000 1.183 73 F HN 0.634 nan 8.300 nan 0.000 0.589 74 S N 0.026 115.917 115.700 0.318 0.000 2.515 74 S HA -0.161 4.313 4.470 0.006 0.000 0.231 74 S C 1.124 175.816 174.600 0.153 0.000 0.987 74 S CA 0.844 59.157 58.200 0.190 0.000 0.936 74 S CB -0.723 62.562 63.200 0.141 0.000 0.766 74 S HN 0.740 nan 8.310 nan 0.000 0.528 75 N N 0.846 119.649 118.700 0.172 0.000 2.322 75 N HA 0.280 5.023 4.740 0.006 0.000 0.194 75 N C 1.254 176.837 175.510 0.121 0.000 1.126 75 N CA 0.621 53.742 53.050 0.119 0.000 0.845 75 N CB -0.247 38.295 38.487 0.091 0.000 0.976 75 N HN 0.552 nan 8.380 nan 0.000 0.475 76 G N -0.259 108.632 108.800 0.152 0.000 2.284 76 G HA2 -0.295 3.669 3.960 0.006 0.000 0.230 76 G HA3 -0.295 3.669 3.960 0.006 0.000 0.230 76 G C -0.238 174.760 174.900 0.163 0.000 1.021 76 G CA 0.014 45.192 45.100 0.130 0.000 0.619 76 G HN 0.471 nan 8.290 nan 0.000 0.510 77 E N 2.932 123.257 120.200 0.208 0.000 2.442 77 E HA 0.311 4.664 4.350 0.006 0.000 0.262 77 E C -1.990 174.825 176.600 0.358 0.000 1.004 77 E CA -0.798 55.744 56.400 0.236 0.000 0.928 77 E CB 0.731 30.539 29.700 0.179 0.000 0.937 77 E HN 0.296 nan 8.360 nan 0.000 0.446 78 P HA -0.052 nan 4.420 nan 0.000 0.271 78 P C -0.933 176.555 177.300 0.314 0.000 1.216 78 P CA 0.092 63.312 63.100 0.200 0.000 0.776 78 P CB 0.343 32.101 31.700 0.096 0.000 0.881 79 F N 4.513 124.423 119.950 -0.066 0.000 2.390 79 F HA 0.312 4.842 4.527 0.006 0.000 0.361 79 F C -0.244 175.489 175.800 -0.112 0.000 1.124 79 F CA -0.173 57.711 58.000 -0.194 0.000 1.149 79 F CB 0.217 38.867 39.000 -0.583 0.000 1.160 79 F HN 0.279 nan 8.300 nan 0.000 0.501 80 D N 3.467 123.470 120.400 -0.662 0.000 2.636 80 D HA 0.494 5.137 4.640 0.006 0.000 0.275 80 D C 0.460 176.379 176.300 -0.634 0.000 1.130 80 D CA -0.361 53.297 54.000 -0.571 0.000 1.031 80 D CB 0.853 41.516 40.800 -0.229 0.000 1.451 80 D HN 0.433 nan 8.370 nan 0.000 0.505 81 A N -0.373 122.225 122.820 -0.371 0.000 1.940 81 A HA -0.207 4.117 4.320 0.006 0.000 0.219 81 A C 1.908 179.412 177.584 -0.134 0.000 1.176 81 A CA 2.303 54.200 52.037 -0.235 0.000 0.631 81 A CB -0.979 17.957 19.000 -0.107 0.000 0.814 81 A HN 0.675 nan 8.150 nan 0.000 0.446 82 E N 0.315 120.450 120.200 -0.108 0.000 2.072 82 E HA -0.033 4.320 4.350 0.006 0.000 0.191 82 E C 1.983 178.579 176.600 -0.008 0.000 0.985 82 E CA 1.597 57.976 56.400 -0.036 0.000 0.801 82 E CB -0.494 29.186 29.700 -0.034 0.000 0.750 82 E HN 0.453 nan 8.360 nan 0.000 0.452 83 A N 0.960 123.752 122.820 -0.046 0.000 1.877 83 A HA -0.052 4.272 4.320 0.006 0.000 0.216 83 A C 2.482 180.177 177.584 0.184 0.000 1.186 83 A CA 2.189 54.265 52.037 0.065 0.000 0.620 83 A CB -1.156 17.952 19.000 0.180 0.000 0.822 83 A HN 0.411 nan 8.150 nan 0.000 0.443 84 A N -0.071 122.755 122.820 0.010 0.000 1.883 84 A HA 0.114 4.437 4.320 0.006 0.000 0.217 84 A C 2.535 180.420 177.584 0.502 0.000 1.186 84 A CA 2.312 54.459 52.037 0.184 0.000 0.624 84 A CB -1.136 17.794 19.000 -0.117 0.000 0.822 84 A HN 1.138 nan 8.150 nan 0.000 0.444 85 A N -0.653 122.358 122.820 0.318 0.000 1.940 85 A HA -0.180 4.143 4.320 0.006 0.000 0.219 85 A C 1.978 179.766 177.584 0.340 0.000 1.176 85 A CA 1.737 53.970 52.037 0.326 0.000 0.631 85 A CB -0.450 18.646 19.000 0.161 0.000 0.814 85 A HN 0.514 nan 8.150 nan 0.000 0.446 86 E N 0.215 120.584 120.200 0.282 0.000 2.077 86 E HA -0.159 4.194 4.350 0.006 0.000 0.193 86 E C 1.815 178.714 176.600 0.498 0.000 0.989 86 E CA 0.970 57.555 56.400 0.309 0.000 0.800 86 E CB -0.420 29.343 29.700 0.105 0.000 0.746 86 E HN 0.642 nan 8.360 nan 0.000 0.452 87 N N 0.086 119.103 118.700 0.529 0.000 2.084 87 N HA -0.135 4.608 4.740 0.006 0.000 0.190 87 N C 1.918 177.481 175.510 0.090 0.000 1.030 87 N CA 0.938 54.244 53.050 0.427 0.000 0.849 87 N CB -0.336 38.469 38.487 0.530 0.000 1.012 87 N HN 0.089 nan 8.380 nan 0.000 0.423 88 F N 1.648 121.750 119.950 0.253 0.000 2.161 88 F HA -0.104 4.426 4.527 0.006 0.000 0.300 88 F C 2.702 178.570 175.800 0.114 0.000 1.089 88 F CA 1.026 59.137 58.000 0.186 0.000 1.282 88 F CB -0.292 38.830 39.000 0.203 0.000 1.010 88 F HN 0.009 nan 8.300 nan 0.000 0.485 89 R N 0.355 121.042 120.500 0.312 0.000 2.066 89 R HA -0.138 4.205 4.340 0.006 0.000 0.232 89 R C 2.407 178.778 176.300 0.118 0.000 1.131 89 R CA 1.298 57.523 56.100 0.210 0.000 0.955 89 R CB -0.547 29.885 30.300 0.219 0.000 0.851 89 R HN 0.243 nan 8.270 nan 0.000 0.432 90 A N 0.333 123.201 122.820 0.079 0.000 1.908 90 A HA -0.132 4.191 4.320 0.006 0.000 0.218 90 A C 2.265 179.735 177.584 -0.191 0.000 1.181 90 A CA 1.777 53.754 52.037 -0.100 0.000 0.627 90 A CB -0.613 18.197 19.000 -0.317 0.000 0.818 90 A HN 0.241 nan 8.150 nan 0.000 0.445 91 V N -0.003 119.714 119.914 -0.329 0.000 2.261 91 V HA -0.251 3.873 4.120 0.006 0.000 0.246 91 V C 2.515 178.601 176.094 -0.014 0.000 1.047 91 V CA 2.016 64.131 62.300 -0.309 0.000 1.015 91 V CB -0.812 30.683 31.823 -0.547 0.000 0.642 91 V HN 0.571 nan 8.190 nan 0.000 0.446 92 L N -0.087 121.173 121.223 0.062 0.000 2.275 92 L HA -0.133 4.211 4.340 0.006 0.000 0.215 92 L C 2.114 179.037 176.870 0.088 0.000 1.119 92 L CA 0.965 55.880 54.840 0.125 0.000 0.790 92 L CB -0.729 41.429 42.059 0.166 0.000 0.919 92 L HN 0.331 nan 8.230 nan 0.000 0.443 93 D N -0.042 120.394 120.400 0.059 0.000 2.311 93 D HA -0.173 4.471 4.640 0.006 0.000 0.212 93 D C 1.219 177.535 176.300 0.027 0.000 0.972 93 D CA 1.070 55.094 54.000 0.041 0.000 0.887 93 D CB -0.193 40.626 40.800 0.031 0.000 0.915 93 D HN 0.193 nan 8.370 nan 0.000 0.497 94 N N -0.143 118.577 118.700 0.034 0.000 2.351 94 N HA 0.072 4.816 4.740 0.006 0.000 0.254 94 N C 1.086 176.592 175.510 -0.006 0.000 1.241 94 N CA -0.215 52.833 53.050 -0.004 0.000 0.883 94 N CB 0.156 38.625 38.487 -0.031 0.000 1.202 94 N HN -0.090 nan 8.380 nan 0.000 0.512 95 R N 0.152 120.691 120.500 0.065 0.000 2.140 95 R HA -0.220 4.124 4.340 0.006 0.000 0.250 95 R C 1.267 177.586 176.300 0.032 0.000 1.150 95 R CA 2.015 58.175 56.100 0.100 0.000 0.966 95 R CB 0.131 30.474 30.300 0.073 0.000 0.869 95 R HN 0.466 nan 8.270 nan 0.000 0.445 96 Q N -0.741 119.051 119.800 -0.013 0.000 2.224 96 Q HA -0.108 4.236 4.340 0.006 0.000 0.203 96 Q C 1.834 177.809 176.000 -0.042 0.000 0.970 96 Q CA 0.897 56.687 55.803 -0.021 0.000 0.865 96 Q CB 0.048 28.777 28.738 -0.016 0.000 0.922 96 Q HN 0.250 nan 8.270 nan 0.000 0.445 97 R N 0.136 120.556 120.500 -0.133 0.000 2.276 97 R HA -0.011 4.332 4.340 0.006 0.000 0.203 97 R C 0.690 176.927 176.300 -0.105 0.000 1.017 97 R CA 0.740 56.755 56.100 -0.141 0.000 1.010 97 R CB -0.035 30.160 30.300 -0.176 0.000 0.900 97 R HN 0.434 nan 8.270 nan 0.000 0.469 98 H N -0.464 118.688 119.070 0.136 0.000 2.507 98 H HA 0.354 4.914 4.556 0.006 0.000 0.294 98 H C 1.351 176.577 175.328 -0.170 0.000 1.064 98 H CA 0.111 56.168 56.048 0.015 0.000 1.138 98 H CB 0.315 30.029 29.762 -0.080 0.000 1.515 98 H HN 0.097 nan 8.280 nan 0.000 0.547 99 A N 1.956 124.800 122.820 0.040 0.000 1.933 99 A HA -0.153 4.171 4.320 0.006 0.000 0.218 99 A C 2.218 179.792 177.584 -0.016 0.000 1.175 99 A CA 1.106 53.138 52.037 -0.008 0.000 0.628 99 A CB -0.952 18.043 19.000 -0.008 0.000 0.814 99 A HN 0.718 nan 8.150 nan 0.000 0.444 100 W N -0.673 120.627 121.300 -0.000 0.000 2.331 100 W HA -0.029 4.634 4.660 0.006 0.000 0.291 100 W C 0.317 176.927 176.519 0.153 0.000 1.214 100 W CA 0.692 58.063 57.345 0.043 0.000 1.228 100 W CB -0.899 28.619 29.460 0.097 0.000 1.135 100 W HN 0.278 nan 8.180 nan 0.000 0.537 101 L N 2.642 123.359 121.223 -0.843 0.000 2.262 101 L HA 0.210 4.553 4.340 0.006 0.000 0.288 101 L C 1.359 178.047 176.870 -0.304 0.000 1.035 101 L CA -0.135 54.203 54.840 -0.836 0.000 0.820 101 L CB 1.257 42.404 42.059 -1.520 0.000 1.204 101 L HN -0.164 nan 8.230 nan 0.000 0.424 102 E N 3.424 123.566 120.200 -0.098 0.000 2.204 102 E HA -0.216 4.137 4.350 0.006 0.000 0.195 102 E C 1.581 177.971 176.600 -0.350 0.000 0.990 102 E CA 1.467 57.784 56.400 -0.138 0.000 0.821 102 E CB -0.126 29.575 29.700 0.002 0.000 0.750 102 E HN 0.710 nan 8.360 nan 0.000 0.477 103 L N 0.085 121.133 121.223 -0.290 0.000 2.083 103 L HA -0.049 4.294 4.340 0.006 0.000 0.209 103 L C 2.109 178.925 176.870 -0.091 0.000 1.083 103 L CA 2.138 56.814 54.840 -0.273 0.000 0.752 103 L CB -0.963 41.088 42.059 -0.014 0.000 0.899 103 L HN 0.151 nan 8.230 nan 0.000 0.433 104 A N -0.321 122.530 122.820 0.051 0.000 1.940 104 A HA -0.216 4.107 4.320 0.006 0.000 0.219 104 A C 2.033 179.640 177.584 0.039 0.000 1.176 104 A CA 1.915 54.048 52.037 0.160 0.000 0.631 104 A CB -0.751 18.309 19.000 0.099 0.000 0.814 104 A HN 0.650 nan 8.150 nan 0.000 0.446 105 N N -0.564 118.104 118.700 -0.053 0.000 2.457 105 N HA -0.075 4.669 4.740 0.006 0.000 0.180 105 N C 1.571 177.020 175.510 -0.101 0.000 1.050 105 N CA 0.771 53.782 53.050 -0.064 0.000 0.906 105 N CB -0.119 38.323 38.487 -0.075 0.000 0.968 105 N HN 0.493 nan 8.380 nan 0.000 0.445 106 Q N 0.580 120.273 119.800 -0.178 0.000 2.204 106 Q HA 0.182 4.526 4.340 0.006 0.000 0.198 106 Q C 0.672 176.587 176.000 -0.141 0.000 0.946 106 Q CA 0.126 55.801 55.803 -0.213 0.000 0.859 106 Q CB 0.335 28.824 28.738 -0.415 0.000 0.946 106 Q HN 0.368 nan 8.270 nan 0.000 0.474 107 I N 1.490 121.996 120.570 -0.107 0.000 2.587 107 I HA -0.091 4.082 4.170 0.006 0.000 0.284 107 I C 1.328 177.421 176.117 -0.040 0.000 1.134 107 I CA -0.196 61.055 61.300 -0.081 0.000 1.410 107 I CB 0.860 38.825 38.000 -0.057 0.000 1.392 107 I HN -0.164 nan 8.210 nan 0.000 0.545 108 V N 4.444 124.331 119.914 -0.045 0.000 2.575 108 V HA 0.016 4.139 4.120 0.006 0.000 0.242 108 V C 0.337 176.426 176.094 -0.008 0.000 1.045 108 V CA 1.136 63.423 62.300 -0.021 0.000 1.065 108 V CB -0.219 31.590 31.823 -0.023 0.000 0.717 108 V HN 0.865 nan 8.190 nan 0.000 0.467 109 D N -1.641 118.746 120.400 -0.021 0.000 2.837 109 D HA 0.515 5.158 4.640 0.006 0.000 0.220 109 D C -1.524 174.754 176.300 -0.037 0.000 1.236 109 D CA -0.179 53.815 54.000 -0.011 0.000 0.838 109 D CB 2.480 43.278 40.800 -0.003 0.000 1.647 109 D HN -0.102 nan 8.370 nan 0.000 0.486 110 V N 2.096 121.996 119.914 -0.023 0.000 2.525 110 V HA 0.623 4.747 4.120 0.006 0.000 0.299 110 V C -0.570 175.528 176.094 0.007 0.000 1.034 110 V CA -0.760 61.505 62.300 -0.059 0.000 0.863 110 V CB 1.704 33.448 31.823 -0.131 0.000 0.999 110 V HN 0.401 nan 8.190 nan 0.000 0.423 111 K N 2.216 122.622 120.400 0.010 0.000 2.443 111 K HA 0.797 5.120 4.320 0.006 0.000 0.252 111 K C -0.167 176.453 176.600 0.034 0.000 0.933 111 K CA -0.277 56.027 56.287 0.028 0.000 0.792 111 K CB 2.204 34.718 32.500 0.023 0.000 1.185 111 K HN 1.033 nan 8.250 nan 0.000 0.425 112 A N 3.583 126.423 122.820 0.032 0.000 2.376 112 A HA 0.373 4.696 4.320 0.006 0.000 0.298 112 A C 1.157 178.751 177.584 0.016 0.000 1.271 112 A CA -0.246 51.804 52.037 0.021 0.000 0.926 112 A CB -0.426 18.578 19.000 0.007 0.000 1.141 112 A HN 0.890 nan 8.150 nan 0.000 0.539 113 L N 1.998 123.234 121.223 0.021 0.000 2.093 113 L HA -0.035 4.309 4.340 0.006 0.000 0.208 113 L C 1.528 178.401 176.870 0.006 0.000 1.085 113 L CA 1.548 56.398 54.840 0.016 0.000 0.755 113 L CB -0.292 41.781 42.059 0.023 0.000 0.904 113 L HN 0.891 nan 8.230 nan 0.000 0.435 114 S N -2.923 112.778 115.700 0.001 0.000 2.843 114 S HA 0.432 4.905 4.470 0.006 0.000 0.301 114 S C 0.588 175.173 174.600 -0.025 0.000 1.206 114 S CA -0.131 58.063 58.200 -0.010 0.000 0.875 114 S CB 1.457 64.653 63.200 -0.007 0.000 1.248 114 S HN -0.145 nan 8.310 nan 0.000 0.555 115 K N -0.111 120.269 120.400 -0.033 0.000 2.362 115 K HA 0.119 4.443 4.320 0.006 0.000 0.200 115 K C 1.754 178.307 176.600 -0.080 0.000 1.046 115 K CA 1.987 58.240 56.287 -0.056 0.000 0.952 115 K CB -1.445 31.026 32.500 -0.047 0.000 0.753 115 K HN 1.091 nan 8.250 nan 0.000 0.466 116 T N -3.623 110.900 114.554 -0.052 0.000 2.986 116 T HA 0.259 4.613 4.350 0.006 0.000 0.264 116 T C 0.082 174.781 174.700 -0.001 0.000 0.964 116 T CA -0.313 61.760 62.100 -0.046 0.000 0.895 116 T CB 0.389 69.239 68.868 -0.030 0.000 1.163 116 T HN 0.437 nan 8.240 nan 0.000 0.517 117 E N 1.044 121.253 120.200 0.014 0.000 2.151 117 E HA 0.625 4.978 4.350 0.006 0.000 0.275 117 E C -1.731 174.911 176.600 0.070 0.000 0.936 117 E CA -0.822 55.615 56.400 0.060 0.000 0.777 117 E CB 2.178 31.908 29.700 0.050 0.000 1.108 117 E HN 0.188 nan 8.360 nan 0.000 0.401 118 L N 3.109 124.415 121.223 0.138 0.000 2.381 118 L HA 0.303 4.646 4.340 0.006 0.000 0.274 118 L C -1.203 175.793 176.870 0.210 0.000 0.988 118 L CA -0.261 54.663 54.840 0.139 0.000 0.824 118 L CB 1.700 43.833 42.059 0.124 0.000 1.263 118 L HN 0.488 nan 8.230 nan 0.000 0.410 119 Q N 5.169 125.046 119.800 0.128 0.000 2.307 119 Q HA 0.639 4.982 4.340 0.006 0.000 0.262 119 Q C -1.604 174.448 176.000 0.085 0.000 0.961 119 Q CA -0.543 55.339 55.803 0.132 0.000 0.882 119 Q CB 1.384 30.168 28.738 0.077 0.000 1.264 119 Q HN 0.759 nan 8.270 nan 0.000 0.446 120 I N 3.204 123.862 120.570 0.146 0.000 2.465 120 I HA 0.363 4.537 4.170 0.006 0.000 0.291 120 I C -0.322 175.825 176.117 0.049 0.000 1.014 120 I CA -0.828 60.498 61.300 0.044 0.000 1.093 120 I CB 2.167 40.196 38.000 0.049 0.000 1.267 120 I HN 0.608 nan 8.210 nan 0.000 0.431 121 T N 4.842 119.384 114.554 -0.020 0.000 2.807 121 T HA 0.783 5.136 4.350 0.006 0.000 0.279 121 T C -0.628 174.026 174.700 -0.076 0.000 0.993 121 T CA -0.760 61.325 62.100 -0.024 0.000 0.970 121 T CB 1.339 70.201 68.868 -0.010 0.000 0.950 121 T HN 0.344 nan 8.240 nan 0.000 0.441 122 L N 2.671 123.838 121.223 -0.092 0.000 2.334 122 L HA 0.539 4.883 4.340 0.006 0.000 0.273 122 L C 1.579 178.408 176.870 -0.069 0.000 1.013 122 L CA -1.254 53.511 54.840 -0.126 0.000 0.816 122 L CB 1.556 43.488 42.059 -0.212 0.000 1.278 122 L HN 0.654 nan 8.230 nan 0.000 0.431 123 K N 0.454 120.813 120.400 -0.069 0.000 2.113 123 K HA -0.125 4.198 4.320 0.006 0.000 0.208 123 K C 0.709 177.298 176.600 -0.018 0.000 1.047 123 K CA 1.665 57.928 56.287 -0.040 0.000 0.928 123 K CB 0.023 32.497 32.500 -0.043 0.000 0.716 123 K HN 0.796 nan 8.250 nan 0.000 0.446 124 S N -2.149 113.546 115.700 -0.009 0.000 2.776 124 S HA 0.554 5.028 4.470 0.006 0.000 0.292 124 S C -1.040 173.601 174.600 0.069 0.000 1.187 124 S CA -0.724 57.496 58.200 0.033 0.000 0.834 124 S CB 1.713 64.950 63.200 0.062 0.000 1.199 124 S HN 0.010 nan 8.310 nan 0.000 0.514 125 A N 1.109 123.988 122.820 0.099 0.000 3.118 125 A HA 0.393 4.717 4.320 0.006 0.000 0.256 125 A C -0.385 177.326 177.584 0.211 0.000 1.667 125 A CA -0.350 51.768 52.037 0.136 0.000 1.338 125 A CB -1.547 nan 19.000 nan 0.000 1.127 125 A HN 0.751 nan 8.150 nan 0.000 0.634 126 Y N 2.028 122.355 120.300 0.045 0.000 2.713 126 Y HA 0.048 4.602 4.550 0.006 0.000 0.341 126 Y C 1.171 177.126 175.900 0.091 0.000 1.167 126 Y CA -0.076 58.048 58.100 0.040 0.000 1.503 126 Y CB -0.099 38.337 38.460 -0.040 0.000 1.199 126 Y HN 0.693 nan 8.280 nan 0.000 0.525 127 Y N 6.719 126.864 120.300 -0.258 0.000 2.181 127 Y HA 0.059 4.613 4.550 0.005 0.000 0.288 127 Y C -1.104 174.617 175.900 -0.298 0.000 1.146 127 Y CA 0.506 58.488 58.100 -0.197 0.000 1.164 127 Y CB -1.679 36.709 38.460 -0.119 0.000 0.982 127 Y HN 0.417 nan 8.280 nan 0.000 0.515 128 P HA 0.034 nan 4.420 nan 0.000 0.256 128 P C 1.261 178.306 177.300 -0.425 0.000 1.384 128 P CA -0.070 62.457 63.100 -0.956 0.000 0.879 128 P CB -0.914 29.869 31.700 -1.528 0.000 1.403 129 F N 1.505 121.214 119.950 -0.401 0.000 2.048 129 F HA -0.324 4.206 4.527 0.006 0.000 0.296 129 F C 1.783 177.432 175.800 -0.252 0.000 1.109 129 F CA 1.684 59.568 58.000 -0.193 0.000 1.214 129 F CB -0.394 38.380 39.000 -0.377 0.000 0.963 129 F HN -0.192 nan 8.300 nan 0.000 0.491 130 L N -0.451 120.481 121.223 -0.485 0.000 2.109 130 L HA -0.200 4.143 4.340 0.006 0.000 0.207 130 L C 2.398 179.090 176.870 -0.298 0.000 1.086 130 L CA 0.977 55.480 54.840 -0.563 0.000 0.760 130 L CB -0.708 41.114 42.059 -0.394 0.000 0.910 130 L HN 0.213 nan 8.230 nan 0.000 0.437 131 Q N 0.164 119.864 119.800 -0.167 0.000 2.124 131 Q HA -0.186 4.157 4.340 0.006 0.000 0.202 131 Q C 2.022 177.961 176.000 -0.101 0.000 0.977 131 Q CA 1.375 57.129 55.803 -0.082 0.000 0.850 131 Q CB -0.099 28.601 28.738 -0.064 0.000 0.901 131 Q HN 0.469 nan 8.270 nan 0.000 0.429 132 E N -0.569 119.585 120.200 -0.077 0.000 2.285 132 E HA -0.090 4.264 4.350 0.006 0.000 0.194 132 E C 1.256 177.858 176.600 0.003 0.000 0.997 132 E CA 0.213 56.628 56.400 0.025 0.000 0.845 132 E CB 0.086 29.880 29.700 0.158 0.000 0.782 132 E HN 0.177 nan 8.360 nan 0.000 0.491 133 L N 0.485 121.605 121.223 -0.171 0.000 2.275 133 L HA -0.048 4.295 4.340 0.006 0.000 0.215 133 L C 2.118 178.946 176.870 -0.071 0.000 1.119 133 L CA 1.225 55.955 54.840 -0.184 0.000 0.790 133 L CB -0.680 41.113 42.059 -0.443 0.000 0.919 133 L HN 0.028 nan 8.230 nan 0.000 0.443 134 A N -1.479 121.299 122.820 -0.070 0.000 2.169 134 A HA 0.122 4.445 4.320 0.006 0.000 0.212 134 A C 1.178 178.751 177.584 -0.018 0.000 1.153 134 A CA -0.120 51.904 52.037 -0.021 0.000 0.756 134 A CB -0.380 18.634 19.000 0.023 0.000 0.813 134 A HN 0.246 nan 8.150 nan 0.000 0.471 135 L N -0.351 120.860 121.223 -0.020 0.000 2.467 135 L HA 0.099 4.443 4.340 0.006 0.000 0.270 135 L C -1.330 175.569 176.870 0.048 0.000 1.205 135 L CA -1.489 53.347 54.840 -0.007 0.000 0.828 135 L CB 0.260 42.353 42.059 0.057 0.000 1.101 135 L HN 0.040 nan 8.230 nan 0.000 0.479 136 P HA -0.146 nan 4.420 nan 0.000 0.217 136 P C -0.603 176.713 177.300 0.027 0.000 1.148 136 P CA 1.447 64.589 63.100 0.070 0.000 0.828 136 P CB 0.150 31.910 31.700 0.100 0.000 0.783 137 R N -3.219 117.312 120.500 0.051 0.000 2.664 137 R HA 0.350 4.693 4.340 0.006 0.000 0.266 137 R C -2.872 173.429 176.300 0.002 0.000 1.046 137 R CA -1.498 54.568 56.100 -0.057 0.000 0.885 137 R CB 0.182 30.410 30.300 -0.121 0.000 1.254 137 R HN -0.251 nan 8.270 nan 0.000 0.465 138 P HA 0.192 nan 4.420 nan 0.000 0.267 138 P C -0.369 176.531 177.300 -0.667 0.000 1.289 138 P CA 0.075 62.826 63.100 -0.582 0.000 0.866 138 P CB 0.232 31.344 31.700 -0.980 0.000 1.309 139 F N 1.319 121.068 119.950 -0.335 0.000 2.833 139 F HA 0.305 4.835 4.527 0.005 0.000 0.327 139 F C 1.273 176.604 175.800 -0.781 0.000 1.184 139 F CA -0.127 57.536 58.000 -0.561 0.000 1.328 139 F CB -0.252 38.513 39.000 -0.392 0.000 1.440 139 F HN -0.263 nan 8.300 nan 0.000 0.569 140 R N -0.615 119.496 120.500 -0.648 0.000 2.939 140 R HA 0.672 5.016 4.340 0.006 0.000 0.254 140 R C -1.397 174.383 176.300 -0.867 0.000 1.123 140 R CA -1.004 54.618 56.100 -0.796 0.000 1.020 140 R CB 1.536 31.699 30.300 -0.228 0.000 1.206 140 R HN -0.032 nan 8.270 nan 0.000 0.491 141 F N 1.016 121.053 119.950 0.144 0.000 2.445 141 F HA 0.460 4.991 4.527 0.006 0.000 0.348 141 F C 0.142 176.241 175.800 0.499 0.000 1.125 141 F CA -0.675 57.520 58.000 0.325 0.000 0.983 141 F CB 1.180 40.440 39.000 0.432 0.000 1.198 141 F HN 0.219 nan 8.300 nan 0.000 0.436 142 I N 2.655 123.486 120.570 0.436 0.000 2.488 142 I HA 0.685 4.858 4.170 0.006 0.000 0.299 142 I C 0.221 176.413 176.117 0.125 0.000 0.984 142 I CA -0.718 60.815 61.300 0.388 0.000 1.250 142 I CB 1.212 39.291 38.000 0.132 0.000 1.389 142 I HN 0.734 nan 8.210 nan 0.000 0.488 143 A N 8.038 130.565 122.820 -0.489 0.000 2.566 143 A HA 0.199 4.523 4.320 0.006 0.000 0.245 143 A C -1.854 175.487 177.584 -0.404 0.000 1.056 143 A CA -0.747 50.645 52.037 -1.074 0.000 0.757 143 A CB -0.510 17.970 19.000 -0.868 0.000 0.979 143 A HN 0.673 nan 8.150 nan 0.000 0.508 144 P HA -0.162 nan 4.420 nan 0.000 0.221 144 P C 1.506 178.498 177.300 -0.514 0.000 1.145 144 P CA 1.693 64.306 63.100 -0.812 0.000 0.795 144 P CB 0.011 31.277 31.700 -0.723 0.000 0.775 145 S N -1.346 114.185 115.700 -0.283 0.000 2.500 145 S HA -0.136 4.337 4.470 0.006 0.000 0.239 145 S C 1.529 176.095 174.600 -0.057 0.000 0.989 145 S CA 0.820 58.931 58.200 -0.149 0.000 0.951 145 S CB -0.807 62.325 63.200 -0.112 0.000 0.759 145 S HN 0.151 nan 8.310 nan 0.000 0.523 146 Q N 0.062 119.866 119.800 0.007 0.000 2.282 146 Q HA 0.398 4.742 4.340 0.006 0.000 0.206 146 Q C -0.109 176.022 176.000 0.218 0.000 0.878 146 Q CA -0.273 55.583 55.803 0.088 0.000 0.944 146 Q CB -0.154 28.624 28.738 0.067 0.000 1.100 146 Q HN 0.624 nan 8.270 nan 0.000 0.509 147 F N 1.558 121.472 119.950 -0.060 0.000 2.539 147 F HA 0.026 4.556 4.527 0.006 0.000 0.340 147 F C 1.010 176.761 175.800 -0.082 0.000 1.185 147 F CA 0.108 58.077 58.000 -0.052 0.000 1.333 147 F CB 0.636 39.610 39.000 -0.044 0.000 1.152 147 F HN -0.322 nan 8.300 nan 0.000 0.602 148 K N 1.529 121.973 120.400 0.074 0.000 2.394 148 K HA 0.213 4.536 4.320 0.006 0.000 0.260 148 K C -0.686 175.913 176.600 -0.002 0.000 0.967 148 K CA -0.683 55.609 56.287 0.007 0.000 0.855 148 K CB 1.256 33.748 32.500 -0.012 0.000 1.101 148 K HN 0.621 nan 8.250 nan 0.000 0.433 149 N N 3.115 121.784 118.700 -0.053 0.000 2.727 149 N HA -0.222 4.521 4.740 0.006 0.000 0.249 149 N C -0.706 174.866 175.510 0.104 0.000 1.048 149 N CA 0.720 53.763 53.050 -0.011 0.000 0.714 149 N CB -1.080 37.438 38.487 0.053 0.000 0.959 149 N HN 0.820 nan 8.380 nan 0.000 0.544 150 H N -3.927 115.256 119.070 0.187 0.000 3.109 150 H HA -0.148 4.411 4.556 0.006 0.000 0.245 150 H C -0.164 175.352 175.328 0.313 0.000 1.187 150 H CA 1.525 57.750 56.048 0.296 0.000 1.136 150 H CB -1.016 28.852 29.762 0.175 0.000 1.243 150 H HN 0.503 nan 8.280 nan 0.000 0.328 151 E N -0.240 120.047 120.200 0.145 0.000 2.410 151 E HA 0.424 4.777 4.350 0.006 0.000 0.269 151 E C 1.287 177.642 176.600 -0.409 0.000 0.937 151 E CA 0.203 56.529 56.400 -0.122 0.000 0.793 151 E CB 1.509 31.187 29.700 -0.036 0.000 1.314 151 E HN 0.227 nan 8.360 nan 0.000 0.447 152 T N -3.453 110.849 114.554 -0.420 0.000 2.959 152 T HA 0.032 4.386 4.350 0.006 0.000 0.254 152 T C 1.660 176.267 174.700 -0.155 0.000 1.003 152 T CA 0.195 62.102 62.100 -0.322 0.000 0.950 152 T CB -0.124 68.584 68.868 -0.267 0.000 1.090 152 T HN 0.480 nan 8.240 nan 0.000 0.503 153 M N 1.189 120.720 119.600 -0.114 0.000 2.358 153 M HA 0.168 4.651 4.480 0.006 0.000 0.264 153 M C 0.804 177.069 176.300 -0.059 0.000 1.064 153 M CA 1.357 56.615 55.300 -0.069 0.000 1.093 153 M CB -0.643 31.927 32.600 -0.049 0.000 1.401 153 M HN -0.018 nan 8.290 nan 0.000 0.440 154 N N 1.189 119.853 118.700 -0.060 0.000 2.203 154 N HA 0.370 5.113 4.740 0.006 0.000 0.207 154 N C 0.441 175.921 175.510 -0.051 0.000 1.130 154 N CA 0.870 53.894 53.050 -0.044 0.000 0.861 154 N CB 1.287 39.757 38.487 -0.029 0.000 1.005 154 N HN 0.612 nan 8.380 nan 0.000 0.507 155 G N 0.933 109.690 108.800 -0.071 0.000 2.381 155 G HA2 0.081 4.044 3.960 0.006 0.000 0.672 155 G HA3 0.081 4.044 3.960 0.006 0.000 0.672 155 G C -1.158 173.695 174.900 -0.079 0.000 1.324 155 G CA -0.644 44.414 45.100 -0.069 0.000 0.975 155 G HN 0.171 nan 8.290 nan 0.000 0.593 156 I N -3.148 117.384 120.570 -0.063 0.000 3.343 156 I HA 0.773 4.946 4.170 0.006 0.000 0.315 156 I C 0.677 176.784 176.117 -0.016 0.000 1.153 156 I CA -1.418 59.858 61.300 -0.041 0.000 0.952 156 I CB 1.852 39.822 38.000 -0.050 0.000 1.287 156 I HN 0.640 nan 8.210 nan 0.000 0.472 157 K N 1.248 121.652 120.400 0.007 0.000 2.315 157 K HA 0.546 4.869 4.320 0.006 0.000 0.215 157 K C 0.375 176.978 176.600 0.004 0.000 1.047 157 K CA 0.152 56.441 56.287 0.004 0.000 1.020 157 K CB -0.146 32.360 32.500 0.010 0.000 1.211 157 K HN 0.718 nan 8.250 nan 0.000 0.462 158 A N 2.559 125.389 122.820 0.015 0.000 2.306 158 A HA 0.328 4.652 4.320 0.006 0.000 0.314 158 A C -2.380 175.234 177.584 0.050 0.000 1.164 158 A CA -1.583 50.465 52.037 0.018 0.000 0.822 158 A CB 0.322 19.330 19.000 0.013 0.000 1.130 158 A HN 0.180 nan 8.150 nan 0.000 0.496 159 P HA 0.110 nan 4.420 nan 0.000 0.235 159 P C -0.721 176.639 177.300 0.099 0.000 1.765 159 P CA 0.207 63.382 63.100 0.125 0.000 1.034 159 P CB -0.431 31.306 31.700 0.062 0.000 1.984 160 I N 1.606 122.270 120.570 0.156 0.000 2.291 160 I HA 0.325 4.499 4.170 0.006 0.000 0.292 160 I C 1.242 177.550 176.117 0.318 0.000 1.064 160 I CA -0.118 61.273 61.300 0.153 0.000 1.269 160 I CB 0.653 38.715 38.000 0.103 0.000 1.418 160 I HN 0.120 nan 8.210 nan 0.000 0.485 161 G N 3.789 112.715 108.800 0.210 0.000 2.887 161 G HA2 0.475 4.438 3.960 0.006 0.000 0.277 161 G HA3 0.475 4.438 3.960 0.006 0.000 0.277 161 G C 0.594 175.727 174.900 0.387 0.000 1.346 161 G CA -0.042 45.282 45.100 0.373 0.000 1.058 161 G HN 0.511 nan 8.290 nan 0.000 0.535 162 T N -2.695 112.025 114.554 0.277 0.000 3.069 162 T HA 0.352 4.705 4.350 0.006 0.000 0.252 162 T C 1.206 176.091 174.700 0.308 0.000 1.053 162 T CA 0.550 62.748 62.100 0.164 0.000 0.964 162 T CB 0.108 68.915 68.868 -0.103 0.000 1.005 162 T HN 0.733 nan 8.240 nan 0.000 0.532 163 G N 2.511 111.425 108.800 0.191 0.000 2.651 163 G HA2 0.419 4.382 3.960 0.006 0.000 0.260 163 G HA3 0.419 4.382 3.960 0.006 0.000 0.260 163 G C -1.272 173.437 174.900 -0.319 0.000 1.216 163 G CA -1.256 43.877 45.100 0.054 0.000 0.913 163 G HN 0.105 nan 8.290 nan 0.000 0.535 164 P HA 0.023 nan 4.420 nan 0.000 0.233 164 P C -0.532 176.161 177.300 -1.012 0.000 1.167 164 P CA 0.682 62.972 63.100 -1.351 0.000 0.770 164 P CB 0.217 30.930 31.700 -1.645 0.000 0.837 165 W N -0.031 121.158 121.300 -0.184 0.000 2.781 165 W HA 0.592 5.255 4.660 0.006 0.000 0.345 165 W C -0.170 176.384 176.519 0.058 0.000 1.085 165 W CA -0.837 56.486 57.345 -0.036 0.000 1.198 165 W CB 1.329 30.747 29.460 -0.071 0.000 1.423 165 W HN -0.370 nan 8.180 nan 0.000 0.532 166 I N 3.178 123.991 120.570 0.406 0.000 2.466 166 I HA 0.189 4.363 4.170 0.006 0.000 0.289 166 I C -0.801 175.419 176.117 0.171 0.000 1.026 166 I CA -1.212 60.220 61.300 0.221 0.000 1.078 166 I CB 1.520 39.592 38.000 0.119 0.000 1.249 166 I HN 0.148 nan 8.210 nan 0.000 0.429 167 L N 6.612 127.807 121.223 -0.047 0.000 2.433 167 L HA 0.133 4.477 4.340 0.006 0.000 0.275 167 L C 0.934 177.636 176.870 -0.280 0.000 1.128 167 L CA 0.922 55.447 54.840 -0.525 0.000 0.875 167 L CB 0.679 42.417 42.059 -0.535 0.000 1.171 167 L HN 0.732 nan 8.230 nan 0.000 0.463 168 Q N 3.128 122.766 119.800 -0.269 0.000 2.324 168 Q HA 0.178 4.521 4.340 0.006 0.000 0.207 168 Q C -0.080 175.860 176.000 -0.100 0.000 0.928 168 Q CA 0.475 56.208 55.803 -0.117 0.000 0.890 168 Q CB 0.531 29.241 28.738 -0.046 0.000 1.001 168 Q HN 0.801 nan 8.270 nan 0.000 0.517 169 E N -0.544 119.582 120.200 -0.123 0.000 2.372 169 E HA 0.377 4.731 4.350 0.006 0.000 0.279 169 E C -1.802 174.765 176.600 -0.056 0.000 0.946 169 E CA -0.452 55.926 56.400 -0.038 0.000 0.769 169 E CB 2.288 32.036 29.700 0.081 0.000 1.230 169 E HN -0.041 nan 8.360 nan 0.000 0.442 170 S N 2.477 118.126 115.700 -0.086 0.000 2.720 170 S HA 0.340 4.814 4.470 0.006 0.000 0.278 170 S C -1.356 173.104 174.600 -0.233 0.000 1.172 170 S CA -0.674 57.439 58.200 -0.146 0.000 1.019 170 S CB 1.287 64.406 63.200 -0.136 0.000 1.049 170 S HN 0.372 nan 8.310 nan 0.000 0.483 171 K N 3.418 123.556 120.400 -0.437 0.000 2.394 171 K HA 0.359 4.682 4.320 0.006 0.000 0.260 171 K C -0.521 175.895 176.600 -0.306 0.000 0.967 171 K CA -0.706 55.302 56.287 -0.465 0.000 0.855 171 K CB 0.866 32.849 32.500 -0.861 0.000 1.101 171 K HN 0.543 nan 8.250 nan 0.000 0.433 172 L N 5.043 126.160 121.223 -0.178 0.000 2.640 172 L HA -0.089 4.255 4.340 0.006 0.000 0.280 172 L C -0.235 176.582 176.870 -0.087 0.000 1.229 172 L CA 1.260 56.036 54.840 -0.105 0.000 0.919 172 L CB -0.230 41.783 42.059 -0.076 0.000 1.168 172 L HN 0.943 nan 8.230 nan 0.000 0.496 173 N N 2.835 121.508 118.700 -0.046 0.000 2.778 173 N HA -0.219 4.524 4.740 0.006 0.000 0.249 173 N C 0.594 176.103 175.510 -0.002 0.000 1.069 173 N CA 1.380 54.422 53.050 -0.012 0.000 0.831 173 N CB -0.493 37.987 38.487 -0.011 0.000 1.142 173 N HN 0.708 nan 8.380 nan 0.000 0.573 174 Q N -1.372 118.402 119.800 -0.044 0.000 2.474 174 Q HA 0.215 4.558 4.340 0.006 0.000 0.191 174 Q C 0.132 176.219 176.000 0.146 0.000 0.700 174 Q CA 0.759 56.564 55.803 0.002 0.000 0.849 174 Q CB 0.755 29.393 28.738 -0.166 0.000 1.232 174 Q HN 0.516 nan 8.270 nan 0.000 0.563 175 Y N -1.311 119.033 120.300 0.073 0.000 2.702 175 Y HA 0.602 5.156 4.550 0.006 0.000 0.336 175 Y C -2.030 173.920 175.900 0.083 0.000 1.203 175 Y CA -1.408 56.753 58.100 0.102 0.000 1.072 175 Y CB 0.847 39.356 38.460 0.080 0.000 1.327 175 Y HN -0.175 nan 8.280 nan 0.000 0.456 176 D N 1.310 121.944 120.400 0.390 0.000 2.780 176 D HA 0.579 5.222 4.640 0.006 0.000 0.242 176 D C -1.330 175.151 176.300 0.302 0.000 1.135 176 D CA -0.497 53.643 54.000 0.233 0.000 0.859 176 D CB 3.283 44.147 40.800 0.108 0.000 1.530 176 D HN 0.457 nan 8.370 nan 0.000 0.493 177 V N 2.250 122.221 119.914 0.096 0.000 2.495 177 V HA 0.472 4.596 4.120 0.006 0.000 0.298 177 V C -0.697 175.317 176.094 -0.132 0.000 1.031 177 V CA -0.662 61.677 62.300 0.065 0.000 0.871 177 V CB 1.211 33.059 31.823 0.042 0.000 0.988 177 V HN 0.375 nan 8.190 nan 0.000 0.432 178 F N 3.466 123.445 119.950 0.048 0.000 2.508 178 F HA 0.769 5.300 4.527 0.006 0.000 0.325 178 F C 0.121 175.975 175.800 0.091 0.000 1.090 178 F CA -0.820 57.209 58.000 0.050 0.000 0.945 178 F CB 2.231 41.220 39.000 -0.019 0.000 1.156 178 F HN 0.406 nan 8.300 nan 0.000 0.463 179 V N 0.343 120.458 119.914 0.336 0.000 2.769 179 V HA 0.625 4.748 4.120 0.006 0.000 0.312 179 V C -0.186 176.146 176.094 0.396 0.000 1.061 179 V CA -1.365 61.117 62.300 0.302 0.000 0.931 179 V CB 1.661 33.574 31.823 0.150 0.000 1.010 179 V HN 0.839 nan 8.190 nan 0.000 0.433 180 R N 2.822 123.509 120.500 0.311 0.000 2.583 180 R HA 0.035 4.378 4.340 0.006 0.000 0.274 180 R C 0.136 176.404 176.300 -0.054 0.000 0.998 180 R CA 0.138 56.219 56.100 -0.032 0.000 1.081 180 R CB 0.193 30.434 30.300 -0.098 0.000 0.940 180 R HN 0.972 nan 8.270 nan 0.000 0.413 181 N N 3.236 121.830 118.700 -0.177 0.000 2.401 181 N HA -0.032 4.712 4.740 0.006 0.000 0.255 181 N C -0.040 175.439 175.510 -0.052 0.000 1.110 181 N CA 0.020 53.025 53.050 -0.074 0.000 0.949 181 N CB 1.054 39.497 38.487 -0.074 0.000 1.110 181 N HN 0.573 nan 8.380 nan 0.000 0.490 182 E N 2.149 122.345 120.200 -0.007 0.000 2.418 182 E HA -0.021 4.332 4.350 0.006 0.000 0.197 182 E C -0.225 176.387 176.600 0.021 0.000 1.026 182 E CA 0.562 56.962 56.400 -0.001 0.000 0.862 182 E CB 0.131 29.836 29.700 0.008 0.000 0.799 182 E HN 0.575 nan 8.360 nan 0.000 0.518 183 N N 0.560 119.288 118.700 0.046 0.000 2.458 183 N HA -0.013 4.730 4.740 0.006 0.000 0.274 183 N C -0.581 174.988 175.510 0.098 0.000 1.242 183 N CA -0.185 52.901 53.050 0.060 0.000 0.904 183 N CB 0.154 38.680 38.487 0.064 0.000 1.206 183 N HN 0.091 nan 8.380 nan 0.000 0.510 184 Y N 1.922 122.172 120.300 -0.083 0.000 2.442 184 Y HA -0.012 4.541 4.550 0.006 0.000 0.330 184 Y C 1.627 177.441 175.900 -0.143 0.000 1.129 184 Y CA -0.918 57.093 58.100 -0.149 0.000 1.365 184 Y CB 0.394 38.682 38.460 -0.286 0.000 1.233 184 Y HN 0.237 nan 8.280 nan 0.000 0.529 185 W N 4.803 125.676 121.300 -0.710 0.000 2.465 185 W HA 0.118 4.781 4.660 0.006 0.000 0.268 185 W C 0.204 176.299 176.519 -0.707 0.000 1.242 185 W CA 0.652 57.630 57.345 -0.612 0.000 1.248 185 W CB -0.967 28.179 29.460 -0.524 0.000 1.118 185 W HN 0.657 nan 8.180 nan 0.000 0.587 186 G N 0.940 108.606 108.800 -1.890 0.000 2.736 186 G HA2 0.220 4.183 3.960 0.006 0.000 0.229 186 G HA3 0.220 4.183 3.960 0.006 0.000 0.229 186 G C -0.946 173.652 174.900 -0.503 0.000 1.380 186 G CA -0.885 43.461 45.100 -1.257 0.000 1.040 186 G HN 0.095 nan 8.290 nan 0.000 0.568 187 E N 0.003 120.060 120.200 -0.238 0.000 2.452 187 E HA 0.425 4.778 4.350 0.006 0.000 0.261 187 E C 0.566 177.172 176.600 0.010 0.000 0.987 187 E CA -0.020 56.340 56.400 -0.067 0.000 0.926 187 E CB 0.275 29.962 29.700 -0.021 0.000 0.934 187 E HN 0.509 nan 8.360 nan 0.000 0.452 188 K N 4.943 125.327 120.400 -0.026 0.000 2.297 188 K HA 0.276 4.599 4.320 0.006 0.000 0.286 188 K C -2.551 173.989 176.600 -0.099 0.000 1.053 188 K CA -1.520 54.730 56.287 -0.061 0.000 0.940 188 K CB 0.075 nan 32.500 nan 0.000 1.019 188 K HN 0.408 nan 8.250 nan 0.000 0.475 189 P HA 0.178 nan 4.420 nan 0.000 0.267 189 P C 0.616 177.895 177.300 -0.035 0.000 1.200 189 P CA 0.190 63.204 63.100 -0.143 0.000 0.772 189 P CB 1.253 32.727 31.700 -0.378 0.000 0.855 190 A N 3.257 126.102 122.820 0.041 0.000 2.067 190 A HA 0.014 4.337 4.320 0.006 0.000 0.217 190 A C 1.043 178.680 177.584 0.089 0.000 1.156 190 A CA 0.820 52.888 52.037 0.052 0.000 0.683 190 A CB -0.479 18.552 19.000 0.050 0.000 0.808 190 A HN 0.456 nan 8.150 nan 0.000 0.455 191 I N 0.183 120.857 120.570 0.174 0.000 2.428 191 I HA 0.154 4.327 4.170 0.006 0.000 0.289 191 I C 0.985 177.264 176.117 0.270 0.000 1.019 191 I CA 0.066 61.499 61.300 0.223 0.000 1.351 191 I CB 1.217 39.383 38.000 0.275 0.000 1.412 191 I HN 0.166 nan 8.210 nan 0.000 0.513 192 K N 3.820 124.330 120.400 0.184 0.000 2.202 192 K HA 0.117 4.441 4.320 0.006 0.000 0.201 192 K C 0.428 177.162 176.600 0.223 0.000 1.051 192 K CA 0.667 57.053 56.287 0.164 0.000 0.977 192 K CB 0.559 33.110 32.500 0.085 0.000 0.792 192 K HN 0.502 nan 8.250 nan 0.000 0.469 193 K N 0.348 120.843 120.400 0.158 0.000 2.525 193 K HA 0.388 4.711 4.320 0.006 0.000 0.254 193 K C -1.640 174.930 176.600 -0.049 0.000 0.934 193 K CA -0.408 55.934 56.287 0.091 0.000 0.802 193 K CB 1.514 34.042 32.500 0.048 0.000 1.295 193 K HN -0.145 nan 8.250 nan 0.000 0.433 194 I N 2.757 123.249 120.570 -0.131 0.000 2.478 194 I HA 0.277 4.450 4.170 0.006 0.000 0.287 194 I C -0.771 175.215 176.117 -0.218 0.000 1.042 194 I CA -0.753 60.332 61.300 -0.357 0.000 1.067 194 I CB 2.385 39.904 38.000 -0.801 0.000 1.233 194 I HN 0.508 nan 8.210 nan 0.000 0.431 195 T N 5.739 120.130 114.554 -0.271 0.000 2.794 195 T HA 0.521 4.874 4.350 0.006 0.000 0.280 195 T C -0.581 173.992 174.700 -0.212 0.000 0.987 195 T CA -0.272 61.758 62.100 -0.117 0.000 0.993 195 T CB 0.579 69.380 68.868 -0.112 0.000 0.939 195 T HN 0.117 nan 8.240 nan 0.000 0.449 196 F N 3.338 123.345 119.950 0.095 0.000 2.334 196 F HA 0.363 4.893 4.527 0.006 0.000 0.367 196 F C 0.751 176.669 175.800 0.197 0.000 1.115 196 F CA -1.169 56.920 58.000 0.148 0.000 1.116 196 F CB 0.590 39.719 39.000 0.214 0.000 1.230 196 F HN 0.353 nan 8.300 nan 0.000 0.484 197 N N 2.302 121.166 118.700 0.274 0.000 2.470 197 N HA 0.135 4.878 4.740 0.006 0.000 0.268 197 N C -0.466 175.209 175.510 0.274 0.000 1.136 197 N CA -0.232 52.969 53.050 0.252 0.000 0.961 197 N CB 1.531 40.113 38.487 0.158 0.000 1.067 197 N HN 0.209 nan 8.380 nan 0.000 0.468 198 V N 4.426 124.487 119.914 0.245 0.000 2.403 198 V HA 0.150 4.274 4.120 0.006 0.000 0.265 198 V C 0.570 176.745 176.094 0.134 0.000 1.034 198 V CA 0.122 62.540 62.300 0.197 0.000 1.036 198 V CB -0.726 31.186 31.823 0.147 0.000 1.032 198 V HN 0.470 nan 8.190 nan 0.000 0.478 199 I N 7.952 128.591 120.570 0.115 0.000 2.583 199 I HA 0.284 4.458 4.170 0.006 0.000 0.276 199 I C -1.687 174.440 176.117 0.017 0.000 1.089 199 I CA -1.379 59.960 61.300 0.066 0.000 1.103 199 I CB 2.424 40.469 38.000 0.076 0.000 1.209 199 I HN 0.387 nan 8.210 nan 0.000 0.484 200 P HA -0.068 nan 4.420 nan 0.000 0.229 200 P C 0.196 177.467 177.300 -0.049 0.000 1.160 200 P CA 0.910 63.987 63.100 -0.038 0.000 0.777 200 P CB 0.312 31.997 31.700 -0.025 0.000 0.814 201 D N 0.720 121.104 120.400 -0.028 0.000 2.280 201 D HA 0.100 4.744 4.640 0.006 0.000 0.243 201 D C -1.399 174.879 176.300 -0.037 0.000 1.129 201 D CA -2.468 51.513 54.000 -0.032 0.000 0.848 201 D CB 1.589 42.380 40.800 -0.015 0.000 1.107 201 D HN -0.048 nan 8.370 nan 0.000 0.471 202 P HA -0.126 nan 4.420 nan 0.000 0.216 202 P C 1.380 178.653 177.300 -0.046 0.000 1.150 202 P CA 0.966 64.026 63.100 -0.066 0.000 0.837 202 P CB 0.288 31.933 31.700 -0.092 0.000 0.786 203 T N -0.716 113.813 114.554 -0.042 0.000 2.788 203 T HA -0.075 4.279 4.350 0.006 0.000 0.268 203 T C 1.675 176.374 174.700 -0.002 0.000 1.044 203 T CA 1.958 64.038 62.100 -0.033 0.000 1.139 203 T CB -0.705 68.143 68.868 -0.035 0.000 0.867 203 T HN 0.189 nan 8.240 nan 0.000 0.454 204 T N 1.371 115.929 114.554 0.006 0.000 2.896 204 T HA 0.055 4.408 4.350 0.006 0.000 0.263 204 T C 2.094 176.824 174.700 0.050 0.000 1.050 204 T CA 0.550 62.666 62.100 0.026 0.000 1.140 204 T CB -0.047 68.834 68.868 0.022 0.000 0.877 204 T HN 0.335 nan 8.240 nan 0.000 0.457 205 R N 1.179 121.705 120.500 0.043 0.000 2.091 205 R HA -0.038 4.305 4.340 0.006 0.000 0.238 205 R C 2.815 179.191 176.300 0.127 0.000 1.136 205 R CA 1.418 57.562 56.100 0.073 0.000 0.959 205 R CB -0.521 29.802 30.300 0.037 0.000 0.856 205 R HN 0.372 nan 8.270 nan 0.000 0.437 206 A N 0.605 123.487 122.820 0.103 0.000 1.902 206 A HA -0.120 4.204 4.320 0.006 0.000 0.217 206 A C 2.362 180.098 177.584 0.253 0.000 1.181 206 A CA 1.482 53.630 52.037 0.186 0.000 0.623 206 A CB -0.464 18.555 19.000 0.031 0.000 0.818 206 A HN 0.128 nan 8.150 nan 0.000 0.443 207 V N -0.218 119.781 119.914 0.141 0.000 2.358 207 V HA -0.194 3.929 4.120 0.006 0.000 0.246 207 V C 3.042 179.191 176.094 0.091 0.000 1.047 207 V CA 1.741 64.107 62.300 0.109 0.000 1.035 207 V CB -1.290 30.570 31.823 0.062 0.000 0.658 207 V HN 0.602 nan 8.190 nan 0.000 0.452 208 A N -0.310 122.569 122.820 0.099 0.000 1.940 208 A HA -0.268 4.055 4.320 0.006 0.000 0.219 208 A C 2.111 179.745 177.584 0.083 0.000 1.176 208 A CA 2.233 54.319 52.037 0.081 0.000 0.631 208 A CB -0.684 18.373 19.000 0.094 0.000 0.814 208 A HN 0.557 nan 8.150 nan 0.000 0.446 209 F N 0.435 120.395 119.950 0.016 0.000 2.098 209 F HA -0.053 4.475 4.527 0.003 0.000 0.294 209 F C 2.157 177.893 175.800 -0.107 0.000 1.107 209 F CA 1.944 59.924 58.000 -0.032 0.000 1.234 209 F CB -0.401 38.583 39.000 -0.027 0.000 1.002 209 F HN 0.367 nan 8.300 nan 0.000 0.472 210 E N -0.399 119.703 120.200 -0.163 0.000 2.160 210 E HA -0.234 4.119 4.350 0.006 0.000 0.195 210 E C 1.939 178.408 176.600 -0.220 0.000 0.991 210 E CA 1.868 58.078 56.400 -0.316 0.000 0.810 210 E CB -0.234 29.451 29.700 -0.024 0.000 0.742 210 E HN 0.545 nan 8.360 nan 0.000 0.466 211 T N -3.510 110.964 114.554 -0.134 0.000 3.085 211 T HA 0.143 4.496 4.350 0.006 0.000 0.263 211 T C 1.509 176.127 174.700 -0.137 0.000 1.127 211 T CA 0.636 62.679 62.100 -0.094 0.000 1.103 211 T CB 0.192 69.035 68.868 -0.042 0.000 0.921 211 T HN 0.346 nan 8.240 nan 0.000 0.510 212 G N 1.137 109.795 108.800 -0.237 0.000 2.159 212 G HA2 -0.294 3.669 3.960 0.006 0.000 0.256 212 G HA3 -0.294 3.669 3.960 0.006 0.000 0.256 212 G C 0.429 175.258 174.900 -0.118 0.000 0.977 212 G CA 0.450 45.419 45.100 -0.218 0.000 0.652 212 G HN 0.560 nan 8.290 nan 0.000 0.531 213 D N 0.135 120.487 120.400 -0.079 0.000 2.144 213 D HA 0.050 4.694 4.640 0.006 0.000 0.199 213 D C 1.650 177.942 176.300 -0.013 0.000 0.984 213 D CA 1.528 55.508 54.000 -0.033 0.000 0.834 213 D CB 0.026 40.822 40.800 -0.008 0.000 0.955 213 D HN 0.883 nan 8.370 nan 0.000 0.465 214 I N -3.335 117.243 120.570 0.013 0.000 2.797 214 I HA 0.390 4.564 4.170 0.006 0.000 0.307 214 I C -0.153 176.024 176.117 0.100 0.000 1.033 214 I CA -0.789 60.546 61.300 0.059 0.000 1.071 214 I CB 2.210 40.277 38.000 0.112 0.000 1.255 214 I HN -0.338 nan 8.210 nan 0.000 0.445 215 D N 2.570 123.040 120.400 0.118 0.000 2.392 215 D HA 0.308 4.951 4.640 0.006 0.000 0.206 215 D C 0.012 176.495 176.300 0.305 0.000 1.046 215 D CA 0.748 54.849 54.000 0.168 0.000 0.865 215 D CB 1.772 42.618 40.800 0.078 0.000 0.969 215 D HN 0.327 nan 8.370 nan 0.000 0.509 216 L N 1.017 122.393 121.223 0.255 0.000 2.565 216 L HA 0.352 4.695 4.340 0.006 0.000 0.261 216 L C -1.977 174.973 176.870 0.134 0.000 0.932 216 L CA -0.410 54.532 54.840 0.169 0.000 0.878 216 L CB 2.328 44.470 42.059 0.138 0.000 1.333 216 L HN -0.221 nan 8.230 nan 0.000 0.409 217 L N 4.393 125.654 121.223 0.063 0.000 2.386 217 L HA 0.556 4.899 4.340 0.006 0.000 0.271 217 L C -1.656 175.302 176.870 0.147 0.000 0.993 217 L CA -0.636 54.257 54.840 0.089 0.000 0.819 217 L CB 2.451 44.505 42.059 -0.009 0.000 1.294 217 L HN 0.522 nan 8.230 nan 0.000 0.414 218 Y N 2.278 122.605 120.300 0.044 0.000 2.323 218 Y HA 0.671 5.225 4.550 0.007 0.000 0.322 218 Y C -0.246 175.702 175.900 0.080 0.000 1.133 218 Y CA -0.291 57.828 58.100 0.031 0.000 1.093 218 Y CB 1.928 40.368 38.460 -0.032 0.000 1.203 218 Y HN 0.660 nan 8.280 nan 0.000 0.427 219 G N 3.839 112.671 108.800 0.052 0.000 2.325 219 G HA2 0.161 4.124 3.960 0.006 0.000 0.295 219 G HA3 0.161 4.124 3.960 0.006 0.000 0.295 219 G C -1.552 173.294 174.900 -0.090 0.000 1.274 219 G CA -0.709 44.441 45.100 0.083 0.000 0.857 219 G HN 0.808 nan 8.290 nan 0.000 0.499 220 N N -0.392 118.262 118.700 -0.076 0.000 2.385 220 N HA 0.189 4.933 4.740 0.006 0.000 0.291 220 N C 1.382 176.782 175.510 -0.183 0.000 1.298 220 N CA 0.504 53.480 53.050 -0.123 0.000 0.955 220 N CB 0.070 38.512 38.487 -0.075 0.000 1.096 220 N HN 0.625 nan 8.380 nan 0.000 0.543 221 E N -1.645 118.449 120.200 -0.177 0.000 2.409 221 E HA -0.066 4.287 4.350 0.006 0.000 0.198 221 E C 1.127 177.611 176.600 -0.195 0.000 1.024 221 E CA 1.251 57.530 56.400 -0.202 0.000 0.861 221 E CB -1.008 28.591 29.700 -0.167 0.000 0.788 221 E HN 0.756 nan 8.360 nan 0.000 0.521 222 G N 0.980 109.674 108.800 -0.177 0.000 3.042 222 G HA2 0.048 4.011 3.960 0.006 0.000 0.212 222 G HA3 0.048 4.011 3.960 0.006 0.000 0.212 222 G C 1.279 176.072 174.900 -0.178 0.000 1.166 222 G CA 0.169 45.165 45.100 -0.173 0.000 0.767 222 G HN 0.234 nan 8.290 nan 0.000 0.546 223 L N 0.258 121.369 121.223 -0.187 0.000 1.989 223 L HA 0.122 4.465 4.340 0.006 0.000 0.211 223 L C 0.729 177.518 176.870 -0.135 0.000 1.071 223 L CA 1.721 56.462 54.840 -0.164 0.000 0.749 223 L CB -0.164 41.799 42.059 -0.159 0.000 0.890 223 L HN 0.220 nan 8.230 nan 0.000 0.431 224 L N -6.061 115.074 121.223 -0.146 0.000 2.502 224 L HA 0.657 5.000 4.340 0.006 0.000 0.253 224 L C -2.772 174.007 176.870 -0.151 0.000 1.070 224 L CA -2.635 52.131 54.840 -0.123 0.000 0.871 224 L CB -0.736 41.271 42.059 -0.086 0.000 1.487 224 L HN -0.294 nan 8.230 nan 0.000 0.408 225 P HA 0.292 nan 4.420 nan 0.000 0.265 225 P C 0.873 178.052 177.300 -0.202 0.000 1.193 225 P CA 0.119 63.116 63.100 -0.170 0.000 0.765 225 P CB 0.589 32.183 31.700 -0.177 0.000 0.823 226 L N 1.973 123.085 121.223 -0.186 0.000 2.240 226 L HA -0.086 4.258 4.340 0.006 0.000 0.211 226 L C 1.957 178.604 176.870 -0.373 0.000 1.106 226 L CA 1.045 55.787 54.840 -0.164 0.000 0.793 226 L CB -0.624 41.394 42.059 -0.069 0.000 0.927 226 L HN 0.426 nan 8.230 nan 0.000 0.446 227 D N -1.084 118.892 120.400 -0.706 0.000 2.144 227 D HA -0.172 4.471 4.640 0.006 0.000 0.200 227 D C 1.797 177.740 176.300 -0.595 0.000 0.978 227 D CA 1.702 55.014 54.000 -1.147 0.000 0.833 227 D CB -0.674 39.509 40.800 -1.029 0.000 0.961 227 D HN 0.151 nan 8.370 nan 0.000 0.470 228 T N 0.127 114.396 114.554 -0.475 0.000 2.746 228 T HA -0.099 4.255 4.350 0.006 0.000 0.267 228 T C 1.515 175.783 174.700 -0.720 0.000 1.039 228 T CA 0.966 62.700 62.100 -0.611 0.000 1.142 228 T CB -0.660 67.825 68.868 -0.639 0.000 0.866 228 T HN 0.156 nan 8.240 nan 0.000 0.444 229 F N 2.468 122.078 119.950 -0.567 0.000 2.091 229 F HA -0.110 4.423 4.527 0.010 0.000 0.299 229 F C 2.466 178.147 175.800 -0.197 0.000 1.103 229 F CA 1.117 58.911 58.000 -0.343 0.000 1.228 229 F CB -0.784 38.080 39.000 -0.227 0.000 0.984 229 F HN 0.151 nan 8.300 nan 0.000 0.477 230 A N 0.588 123.287 122.820 -0.202 0.000 1.865 230 A HA -0.253 4.070 4.320 0.006 0.000 0.217 230 A C 2.386 179.875 177.584 -0.158 0.000 1.191 230 A CA 1.971 53.902 52.037 -0.177 0.000 0.623 230 A CB -1.019 17.924 19.000 -0.095 0.000 0.826 230 A HN 0.503 nan 8.150 nan 0.000 0.444 231 R N -1.567 118.835 120.500 -0.164 0.000 2.083 231 R HA -0.174 4.169 4.340 0.006 0.000 0.237 231 R C 1.843 178.220 176.300 0.128 0.000 1.137 231 R CA 2.034 58.114 56.100 -0.034 0.000 0.951 231 R CB -0.490 29.777 30.300 -0.055 0.000 0.851 231 R HN 0.397 nan 8.270 nan 0.000 0.434 232 F N 1.293 121.180 119.950 -0.106 0.000 2.120 232 F HA -0.209 4.319 4.527 0.002 0.000 0.300 232 F C 2.786 178.545 175.800 -0.069 0.000 1.095 232 F CA 1.591 59.564 58.000 -0.045 0.000 1.249 232 F CB -1.287 37.585 39.000 -0.212 0.000 0.995 232 F HN 0.252 nan 8.300 nan 0.000 0.480 233 S N -0.332 115.310 115.700 -0.096 0.000 2.442 233 S HA -0.198 4.276 4.470 0.006 0.000 0.236 233 S C 1.481 176.056 174.600 -0.042 0.000 1.007 233 S CA 0.938 59.030 58.200 -0.180 0.000 0.965 233 S CB -0.652 62.334 63.200 -0.357 0.000 0.773 233 S HN 0.582 nan 8.310 nan 0.000 0.504 234 Q N 0.874 120.681 119.800 0.011 0.000 2.360 234 Q HA 0.282 4.626 4.340 0.006 0.000 0.202 234 Q C -0.192 175.834 176.000 0.044 0.000 0.915 234 Q CA -0.112 55.707 55.803 0.027 0.000 0.943 234 Q CB 0.021 28.776 28.738 0.029 0.000 1.064 234 Q HN 0.443 nan 8.270 nan 0.000 0.511 235 N N 0.844 119.588 118.700 0.074 0.000 2.442 235 N HA 0.153 4.896 4.740 0.006 0.000 0.274 235 N C -2.199 173.269 175.510 -0.070 0.000 1.002 235 N CA -2.182 50.875 53.050 0.012 0.000 0.910 235 N CB 1.659 40.188 38.487 0.070 0.000 1.244 235 N HN -0.204 nan 8.380 nan 0.000 0.492 236 P HA -0.040 nan 4.420 nan 0.000 0.228 236 P C 0.764 177.961 177.300 -0.171 0.000 1.151 236 P CA 0.572 63.619 63.100 -0.088 0.000 0.770 236 P CB 0.247 31.907 31.700 -0.068 0.000 0.786 237 A N -1.808 120.789 122.820 -0.372 0.000 2.067 237 A HA -0.058 4.266 4.320 0.006 0.000 0.219 237 A C 0.585 177.832 177.584 -0.561 0.000 1.158 237 A CA 0.952 52.656 52.037 -0.555 0.000 0.661 237 A CB -0.819 17.686 19.000 -0.825 0.000 0.801 237 A HN 0.137 nan 8.150 nan 0.000 0.452 238 Y N -2.366 117.933 120.300 -0.002 0.000 2.621 238 Y HA 0.644 5.197 4.550 0.005 0.000 0.334 238 Y C 0.053 176.024 175.900 0.119 0.000 1.074 238 Y CA -1.819 56.320 58.100 0.066 0.000 1.149 238 Y CB 0.655 39.099 38.460 -0.027 0.000 1.302 238 Y HN 0.252 nan 8.280 nan 0.000 0.501 239 H N -0.079 119.113 119.070 0.204 0.000 2.589 239 H HA 0.650 5.208 4.556 0.004 0.000 0.351 239 H C -1.066 174.285 175.328 0.039 0.000 1.074 239 H CA -0.640 55.461 56.048 0.088 0.000 1.203 239 H CB 1.433 31.239 29.762 0.073 0.000 1.558 239 H HN 0.745 nan 8.280 nan 0.000 0.522 240 T N 2.213 116.465 114.554 -0.504 0.000 2.907 240 T HA 0.630 4.983 4.350 0.006 0.000 0.292 240 T C -0.671 173.782 174.700 -0.412 0.000 1.043 240 T CA -1.043 60.828 62.100 -0.382 0.000 1.003 240 T CB 2.141 70.725 68.868 -0.474 0.000 1.084 240 T HN 0.666 nan 8.240 nan 0.000 0.483 241 Q N 0.524 120.296 119.800 -0.047 0.000 2.379 241 Q HA 0.704 5.047 4.340 0.006 0.000 0.278 241 Q C -1.900 174.236 176.000 0.227 0.000 1.068 241 Q CA -1.017 54.829 55.803 0.072 0.000 0.816 241 Q CB 2.964 31.748 28.738 0.077 0.000 1.387 241 Q HN 0.629 nan 8.270 nan 0.000 0.413 242 L N 1.462 122.793 121.223 0.180 0.000 2.406 242 L HA 0.500 4.843 4.340 0.006 0.000 0.272 242 L C -0.513 176.356 176.870 -0.003 0.000 0.980 242 L CA -0.123 54.756 54.840 0.066 0.000 0.831 242 L CB 2.089 44.212 42.059 0.107 0.000 1.253 242 L HN 0.815 nan 8.230 nan 0.000 0.406 243 S N 3.299 118.882 115.700 -0.194 0.000 2.655 243 S HA 0.460 4.934 4.470 0.006 0.000 0.265 243 S C -0.013 174.469 174.600 -0.196 0.000 1.240 243 S CA -0.630 57.353 58.200 -0.362 0.000 0.986 243 S CB 0.640 63.280 63.200 -0.934 0.000 0.985 243 S HN 0.700 nan 8.310 nan 0.000 0.562 244 Q N 1.108 120.808 119.800 -0.166 0.000 2.421 244 Q HA 0.230 4.573 4.340 0.006 0.000 0.255 244 Q C -2.276 173.652 176.000 -0.120 0.000 1.013 244 Q CA -1.422 54.320 55.803 -0.102 0.000 0.895 244 Q CB -0.411 28.285 28.738 -0.069 0.000 1.271 244 Q HN 0.482 nan 8.270 nan 0.000 0.460 245 P HA -0.113 nan 4.420 nan 0.000 0.264 245 P C -0.056 177.208 177.300 -0.061 0.000 1.183 245 P CA 0.827 63.898 63.100 -0.048 0.000 0.763 245 P CB 0.255 31.953 31.700 -0.004 0.000 0.807 246 I N 0.422 120.967 120.570 -0.043 0.000 4.139 246 I HA 0.350 4.523 4.170 0.006 0.000 0.320 246 I C 0.576 176.707 176.117 0.022 0.000 1.290 246 I CA 0.164 61.453 61.300 -0.018 0.000 1.253 246 I CB 0.151 38.139 38.000 -0.021 0.000 1.122 246 I HN 0.295 nan 8.210 nan 0.000 0.421 247 E N 0.803 121.023 120.200 0.033 0.000 2.432 247 E HA 0.355 4.708 4.350 0.006 0.000 0.279 247 E C -1.380 175.264 176.600 0.072 0.000 1.099 247 E CA -0.802 55.625 56.400 0.044 0.000 0.859 247 E CB 1.305 31.025 29.700 0.033 0.000 1.402 247 E HN -0.062 nan 8.360 nan 0.000 0.451 248 T N 0.822 115.375 114.554 -0.002 0.000 2.829 248 T HA 0.484 4.837 4.350 0.006 0.000 0.282 248 T C -0.451 174.164 174.700 -0.140 0.000 0.990 248 T CA -0.532 61.549 62.100 -0.031 0.000 1.028 248 T CB 1.376 70.167 68.868 -0.128 0.000 0.951 248 T HN 0.309 nan 8.240 nan 0.000 0.460 249 V N 5.401 125.241 119.914 -0.123 0.000 2.513 249 V HA 0.780 4.904 4.120 0.006 0.000 0.299 249 V C -0.016 176.033 176.094 -0.076 0.000 1.035 249 V CA -0.648 61.603 62.300 -0.083 0.000 0.889 249 V CB 1.456 33.247 31.823 -0.052 0.000 0.988 249 V HN 0.944 nan 8.190 nan 0.000 0.440 250 M N 4.899 124.502 119.600 0.005 0.000 2.833 250 M HA 0.599 5.083 4.480 0.006 0.000 0.270 250 M C -2.499 173.854 176.300 0.088 0.000 1.209 250 M CA -0.728 54.581 55.300 0.014 0.000 0.826 250 M CB 2.110 34.680 32.600 -0.050 0.000 1.657 250 M HN 0.342 nan 8.290 nan 0.000 0.492 251 L N 2.027 123.262 121.223 0.020 0.000 2.334 251 L HA 0.796 5.140 4.340 0.006 0.000 0.277 251 L C 0.253 177.185 176.870 0.104 0.000 1.075 251 L CA -0.778 54.036 54.840 -0.043 0.000 0.804 251 L CB 1.580 43.528 42.059 -0.186 0.000 1.174 251 L HN 0.884 nan 8.230 nan 0.000 0.438 252 A N 4.659 127.535 122.820 0.093 0.000 2.274 252 A HA 0.723 5.046 4.320 0.006 0.000 0.309 252 A C -0.545 177.054 177.584 0.026 0.000 1.226 252 A CA -0.483 51.606 52.037 0.088 0.000 0.853 252 A CB 0.368 19.420 19.000 0.088 0.000 1.146 252 A HN 0.646 nan 8.150 nan 0.000 0.518 253 L N 2.349 123.545 121.223 -0.045 0.000 2.317 253 L HA 0.380 4.723 4.340 0.006 0.000 0.281 253 L C 0.282 177.143 176.870 -0.014 0.000 1.024 253 L CA -0.947 53.882 54.840 -0.019 0.000 0.810 253 L CB 1.226 43.232 42.059 -0.088 0.000 1.240 253 L HN 0.671 nan 8.230 nan 0.000 0.427 254 N N 1.354 120.047 118.700 -0.012 0.000 2.402 254 N HA 0.025 4.768 4.740 0.006 0.000 0.252 254 N C 0.994 176.408 175.510 -0.160 0.000 1.118 254 N CA -0.059 52.890 53.050 -0.168 0.000 0.945 254 N CB 1.240 39.463 38.487 -0.440 0.000 1.147 254 N HN 0.760 nan 8.380 nan 0.000 0.495 255 T N 0.142 114.605 114.554 -0.152 0.000 3.118 255 T HA 0.063 4.416 4.350 0.006 0.000 0.260 255 T C 1.145 175.773 174.700 -0.121 0.000 1.139 255 T CA 0.631 62.656 62.100 -0.126 0.000 1.085 255 T CB 0.099 68.893 68.868 -0.123 0.000 0.934 255 T HN 0.358 nan 8.240 nan 0.000 0.518 256 A N 0.040 122.767 122.820 -0.154 0.000 2.430 256 A HA 0.431 4.755 4.320 0.006 0.000 0.243 256 A C 0.666 178.170 177.584 -0.132 0.000 1.254 256 A CA -0.429 51.525 52.037 -0.138 0.000 0.914 256 A CB 0.140 19.048 19.000 -0.154 0.000 0.998 256 A HN 0.357 nan 8.150 nan 0.000 0.515 257 K N 0.815 121.132 120.400 -0.138 0.000 2.471 257 K HA 0.601 4.925 4.320 0.006 0.000 0.252 257 K C -0.450 176.108 176.600 -0.071 0.000 0.938 257 K CA -0.480 55.738 56.287 -0.116 0.000 0.796 257 K CB 1.811 34.209 32.500 -0.169 0.000 1.161 257 K HN 0.207 nan 8.250 nan 0.000 0.425 258 A N 4.549 127.351 122.820 -0.031 0.000 2.531 258 A HA 0.146 4.470 4.320 0.006 0.000 0.236 258 A C -1.600 175.981 177.584 -0.005 0.000 1.062 258 A CA -0.570 51.476 52.037 0.015 0.000 0.760 258 A CB -0.105 18.927 19.000 0.054 0.000 0.995 258 A HN 0.618 nan 8.150 nan 0.000 0.501 259 P HA 0.017 nan 4.420 nan 0.000 0.261 259 P C 0.952 178.217 177.300 -0.060 0.000 1.268 259 P CA 0.897 64.000 63.100 0.005 0.000 0.833 259 P CB -0.088 31.519 31.700 -0.155 0.000 1.231 260 T N -2.119 112.385 114.554 -0.084 0.000 3.155 260 T HA -0.107 4.247 4.350 0.006 0.000 0.264 260 T C 1.551 176.208 174.700 -0.071 0.000 1.160 260 T CA 0.563 62.608 62.100 -0.091 0.000 1.075 260 T CB -1.112 67.699 68.868 -0.094 0.000 0.921 260 T HN 0.181 nan 8.240 nan 0.000 0.533 261 N N 1.659 120.331 118.700 -0.046 0.000 2.453 261 N HA -0.117 4.626 4.740 0.006 0.000 0.183 261 N C 0.121 175.623 175.510 -0.012 0.000 1.041 261 N CA 0.498 53.525 53.050 -0.038 0.000 0.900 261 N CB -0.164 38.308 38.487 -0.025 0.000 0.961 261 N HN 0.583 nan 8.380 nan 0.000 0.443 262 E N 0.373 120.582 120.200 0.014 0.000 2.227 262 E HA 0.097 4.450 4.350 0.006 0.000 0.282 262 E C 0.673 177.278 176.600 0.009 0.000 1.015 262 E CA -0.642 55.784 56.400 0.043 0.000 0.823 262 E CB 2.009 31.791 29.700 0.137 0.000 1.081 262 E HN -0.010 nan 8.360 nan 0.000 0.396 263 L N 3.957 125.185 121.223 0.009 0.000 2.042 263 L HA -0.217 4.127 4.340 0.006 0.000 0.210 263 L C 1.978 178.847 176.870 -0.002 0.000 1.076 263 L CA 2.449 57.285 54.840 -0.008 0.000 0.749 263 L CB -0.603 41.456 42.059 0.000 0.000 0.893 263 L HN 0.723 nan 8.230 nan 0.000 0.432 264 A N -1.605 121.234 122.820 0.032 0.000 1.968 264 A HA -0.071 4.253 4.320 0.006 0.000 0.217 264 A C 2.238 179.828 177.584 0.009 0.000 1.169 264 A CA 1.537 53.601 52.037 0.045 0.000 0.638 264 A CB -0.872 18.182 19.000 0.091 0.000 0.812 264 A HN 0.308 nan 8.150 nan 0.000 0.446 265 V N 0.222 120.117 119.914 -0.031 0.000 2.295 265 V HA -0.273 3.850 4.120 0.006 0.000 0.246 265 V C 2.625 178.653 176.094 -0.110 0.000 1.049 265 V CA 2.223 64.438 62.300 -0.142 0.000 1.024 265 V CB -0.812 30.866 31.823 -0.242 0.000 0.648 265 V HN 0.535 nan 8.190 nan 0.000 0.447 266 R N -0.146 120.301 120.500 -0.088 0.000 2.091 266 R HA -0.195 4.148 4.340 0.006 0.000 0.238 266 R C 2.299 178.541 176.300 -0.097 0.000 1.136 266 R CA 1.786 57.828 56.100 -0.096 0.000 0.959 266 R CB -0.366 29.876 30.300 -0.098 0.000 0.856 266 R HN 0.632 nan 8.270 nan 0.000 0.437 267 E N 0.508 120.667 120.200 -0.069 0.000 2.051 267 E HA -0.185 4.168 4.350 0.006 0.000 0.192 267 E C 2.104 178.699 176.600 -0.009 0.000 0.991 267 E CA 1.216 57.577 56.400 -0.065 0.000 0.799 267 E CB -0.124 29.583 29.700 0.011 0.000 0.748 267 E HN 0.365 nan 8.360 nan 0.000 0.449 268 A N 1.366 124.212 122.820 0.043 0.000 1.877 268 A HA -0.172 4.152 4.320 0.006 0.000 0.216 268 A C 2.227 179.835 177.584 0.041 0.000 1.186 268 A CA 1.073 53.163 52.037 0.088 0.000 0.620 268 A CB -0.735 18.274 19.000 0.015 0.000 0.822 268 A HN 0.130 nan 8.150 nan 0.000 0.443 269 L N -0.157 121.044 121.223 -0.037 0.000 2.013 269 L HA -0.251 4.093 4.340 0.006 0.000 0.212 269 L C 2.182 179.022 176.870 -0.050 0.000 1.073 269 L CA 1.572 56.381 54.840 -0.053 0.000 0.753 269 L CB -0.799 41.207 42.059 -0.088 0.000 0.890 269 L HN 0.469 nan 8.230 nan 0.000 0.432 270 N N -0.913 117.720 118.700 -0.113 0.000 2.519 270 N HA -0.167 4.577 4.740 0.006 0.000 0.186 270 N C 1.277 176.655 175.510 -0.219 0.000 1.062 270 N CA 1.089 54.023 53.050 -0.193 0.000 0.910 270 N CB 0.107 38.413 38.487 -0.302 0.000 0.958 270 N HN 0.388 nan 8.380 nan 0.000 0.445 271 Y N -0.197 120.098 120.300 -0.009 0.000 2.449 271 Y HA 0.295 4.848 4.550 0.005 0.000 0.254 271 Y C 1.973 177.901 175.900 0.047 0.000 1.140 271 Y CA -0.346 57.756 58.100 0.004 0.000 1.272 271 Y CB 0.096 38.534 38.460 -0.037 0.000 1.114 271 Y HN -0.023 nan 8.280 nan 0.000 0.525 272 A N -0.363 122.562 122.820 0.176 0.000 1.970 272 A HA 0.101 4.424 4.320 0.006 0.000 0.216 272 A C 0.800 178.532 177.584 0.248 0.000 1.170 272 A CA 0.571 52.709 52.037 0.167 0.000 0.645 272 A CB -0.503 18.540 19.000 0.071 0.000 0.816 272 A HN 0.004 nan 8.150 nan 0.000 0.447 273 V N 1.884 121.900 119.914 0.170 0.000 2.432 273 V HA 0.152 4.275 4.120 0.006 0.000 0.275 273 V C 0.039 176.118 176.094 -0.025 0.000 1.043 273 V CA -0.782 61.551 62.300 0.056 0.000 0.925 273 V CB 1.072 32.886 31.823 -0.016 0.000 0.985 273 V HN 0.463 nan 8.190 nan 0.000 0.466 274 N N 4.415 122.882 118.700 -0.388 0.000 2.549 274 N HA 0.115 4.859 4.740 0.006 0.000 0.267 274 N C 1.020 176.337 175.510 -0.322 0.000 1.182 274 N CA 0.136 52.734 53.050 -0.753 0.000 1.019 274 N CB 0.415 38.246 38.487 -1.093 0.000 1.380 274 N HN 0.605 nan 8.380 nan 0.000 0.505 275 K N 1.639 121.930 120.400 -0.181 0.000 2.057 275 K HA -0.079 4.244 4.320 0.006 0.000 0.206 275 K C 1.652 178.179 176.600 -0.121 0.000 1.050 275 K CA 0.684 56.898 56.287 -0.121 0.000 0.935 275 K CB 0.157 32.606 32.500 -0.085 0.000 0.715 275 K HN 0.268 nan 8.250 nan 0.000 0.439 276 K N 1.026 121.357 120.400 -0.115 0.000 2.034 276 K HA -0.189 4.134 4.320 0.006 0.000 0.214 276 K C 2.371 178.902 176.600 -0.115 0.000 1.051 276 K CA 1.753 57.983 56.287 -0.094 0.000 0.931 276 K CB -0.474 31.983 32.500 -0.072 0.000 0.715 276 K HN 0.068 nan 8.250 nan 0.000 0.446 277 S N 0.919 116.523 115.700 -0.159 0.000 2.368 277 S HA -0.112 4.361 4.470 0.006 0.000 0.224 277 S C 2.128 176.646 174.600 -0.136 0.000 1.029 277 S CA 1.166 59.274 58.200 -0.152 0.000 0.988 277 S CB -0.235 62.855 63.200 -0.184 0.000 0.838 277 S HN 0.378 nan 8.310 nan 0.000 0.462 278 L N 0.732 121.872 121.223 -0.138 0.000 2.012 278 L HA -0.047 4.296 4.340 0.006 0.000 0.210 278 L C 1.947 178.760 176.870 -0.096 0.000 1.073 278 L CA 1.572 56.346 54.840 -0.111 0.000 0.748 278 L CB -0.410 41.589 42.059 -0.101 0.000 0.891 278 L HN 0.304 nan 8.230 nan 0.000 0.431 279 I N 0.459 120.973 120.570 -0.093 0.000 3.102 279 I HA -0.249 3.925 4.170 0.006 0.000 0.278 279 I C 1.213 177.283 176.117 -0.078 0.000 1.316 279 I CA 1.158 62.412 61.300 -0.077 0.000 1.425 279 I CB -0.503 37.455 38.000 -0.070 0.000 1.073 279 I HN 0.407 nan 8.210 nan 0.000 0.503 280 D N -1.499 118.836 120.400 -0.108 0.000 2.531 280 D HA 0.065 4.709 4.640 0.006 0.000 0.263 280 D C 1.752 177.926 176.300 -0.211 0.000 1.057 280 D CA 0.327 54.230 54.000 -0.161 0.000 0.909 280 D CB -0.246 40.457 40.800 -0.162 0.000 1.236 280 D HN 0.149 nan 8.370 nan 0.000 0.494 281 N N 0.538 119.148 118.700 -0.150 0.000 2.300 281 N HA 0.020 4.764 4.740 0.006 0.000 0.179 281 N C 1.250 176.714 175.510 -0.078 0.000 1.016 281 N CA 0.799 53.771 53.050 -0.130 0.000 0.876 281 N CB 0.604 39.029 38.487 -0.104 0.000 0.979 281 N HN 0.070 nan 8.380 nan 0.000 0.432 282 A N -0.419 122.365 122.820 -0.060 0.000 2.324 282 A HA 0.327 4.650 4.320 0.006 0.000 0.220 282 A C 1.392 178.980 177.584 0.006 0.000 1.209 282 A CA 0.008 52.026 52.037 -0.031 0.000 0.918 282 A CB 0.408 19.369 19.000 -0.064 0.000 0.959 282 A HN 0.152 nan 8.150 nan 0.000 0.507 283 L N -3.829 117.404 121.223 0.016 0.000 3.217 283 L HA 0.307 4.650 4.340 0.006 0.000 0.288 283 L C 0.049 176.998 176.870 0.132 0.000 1.202 283 L CA -0.297 54.566 54.840 0.038 0.000 1.027 283 L CB 0.081 42.124 42.059 -0.028 0.000 1.427 283 L HN 0.275 nan 8.230 nan 0.000 0.600 284 Y N 1.725 121.998 120.300 -0.045 0.000 3.589 284 Y HA -0.274 4.277 4.550 0.002 0.000 0.218 284 Y C 1.538 177.431 175.900 -0.011 0.000 1.234 284 Y CA 0.872 58.958 58.100 -0.023 0.000 1.576 284 Y CB -1.486 36.968 38.460 -0.009 0.000 1.487 284 Y HN 0.466 nan 8.280 nan 0.000 0.616 285 G N -0.563 108.249 108.800 0.020 0.000 2.203 285 G HA2 -0.401 3.563 3.960 0.006 0.000 0.263 285 G HA3 -0.401 3.563 3.960 0.006 0.000 0.263 285 G C 0.830 175.757 174.900 0.046 0.000 1.012 285 G CA 1.195 46.304 45.100 0.015 0.000 0.749 285 G HN 1.114 nan 8.290 nan 0.000 0.512 286 T N -3.711 110.877 114.554 0.056 0.000 3.081 286 T HA 0.425 4.778 4.350 0.006 0.000 0.250 286 T C 0.863 175.558 174.700 -0.008 0.000 1.100 286 T CA 1.105 63.233 62.100 0.045 0.000 1.038 286 T CB 0.477 69.367 68.868 0.038 0.000 0.962 286 T HN 0.427 nan 8.240 nan 0.000 0.516 287 Q N 0.456 120.245 119.800 -0.018 0.000 2.633 287 Q HA 0.521 4.864 4.340 0.006 0.000 0.292 287 Q C -1.200 174.792 176.000 -0.014 0.000 1.089 287 Q CA -0.787 54.998 55.803 -0.030 0.000 0.811 287 Q CB 1.651 30.355 28.738 -0.056 0.000 1.472 287 Q HN 0.415 nan 8.270 nan 0.000 0.464 288 Q N 0.209 120.009 119.800 0.001 0.000 2.309 288 Q HA 0.474 4.818 4.340 0.006 0.000 0.264 288 Q C -0.942 175.026 176.000 -0.054 0.000 1.008 288 Q CA -0.596 55.221 55.803 0.023 0.000 0.853 288 Q CB 1.879 30.689 28.738 0.119 0.000 1.314 288 Q HN 0.403 nan 8.270 nan 0.000 0.448 289 V N 2.532 122.411 119.914 -0.059 0.000 2.599 289 V HA 0.241 4.365 4.120 0.006 0.000 0.300 289 V C 0.054 175.986 176.094 -0.269 0.000 1.034 289 V CA 0.224 62.445 62.300 -0.131 0.000 1.115 289 V CB 0.694 32.480 31.823 -0.062 0.000 0.934 289 V HN 0.819 nan 8.190 nan 0.000 0.485 290 A N 3.595 126.129 122.820 -0.477 0.000 2.305 290 A HA 0.592 4.915 4.320 0.006 0.000 0.322 290 A C 0.377 177.810 177.584 -0.252 0.000 1.187 290 A CA -0.565 51.016 52.037 -0.761 0.000 0.825 290 A CB 0.636 18.925 19.000 -1.185 0.000 1.164 290 A HN 0.838 nan 8.150 nan 0.000 0.498 291 D N 0.440 120.816 120.400 -0.041 0.000 2.423 291 D HA 0.095 4.739 4.640 0.006 0.000 0.212 291 D C 0.548 176.928 176.300 0.132 0.000 1.060 291 D CA 1.584 55.619 54.000 0.057 0.000 0.872 291 D CB 0.696 41.557 40.800 0.102 0.000 1.012 291 D HN 0.705 nan 8.370 nan 0.000 0.503 292 T N -1.883 112.768 114.554 0.161 0.000 2.883 292 T HA 0.305 4.659 4.350 0.006 0.000 0.296 292 T C 0.898 175.649 174.700 0.084 0.000 1.117 292 T CA -0.766 61.441 62.100 0.177 0.000 1.006 292 T CB 2.151 71.095 68.868 0.127 0.000 1.191 292 T HN -0.183 nan 8.240 nan 0.000 0.508 293 L N 0.281 121.489 121.223 -0.024 0.000 2.013 293 L HA 0.259 4.603 4.340 0.006 0.000 0.212 293 L C -0.048 176.487 176.870 -0.559 0.000 1.073 293 L CA 1.668 56.275 54.840 -0.388 0.000 0.753 293 L CB -0.710 41.030 42.059 -0.532 0.000 0.890 293 L HN 0.704 nan 8.230 nan 0.000 0.432 294 F N -0.438 119.494 119.950 -0.031 0.000 2.480 294 F HA 0.615 5.145 4.527 0.005 0.000 0.329 294 F C 0.764 176.519 175.800 -0.076 0.000 1.091 294 F CA -0.826 57.133 58.000 -0.070 0.000 0.972 294 F CB 0.783 39.718 39.000 -0.108 0.000 1.150 294 F HN -0.033 nan 8.300 nan 0.000 0.467 295 A N 3.827 126.564 122.820 -0.138 0.000 2.520 295 A HA 0.210 4.533 4.320 0.006 0.000 0.235 295 A C -1.779 175.694 177.584 -0.184 0.000 1.065 295 A CA -0.931 50.802 52.037 -0.508 0.000 0.764 295 A CB -0.169 18.209 19.000 -1.036 0.000 1.002 295 A HN 0.634 nan 8.150 nan 0.000 0.502 296 P HA -0.137 nan 4.420 nan 0.000 0.221 296 P C 1.469 178.711 177.300 -0.097 0.000 1.145 296 P CA 1.764 64.818 63.100 -0.078 0.000 0.795 296 P CB 0.084 31.752 31.700 -0.054 0.000 0.775 297 S N -2.081 113.538 115.700 -0.135 0.000 2.489 297 S HA -0.002 4.472 4.470 0.006 0.000 0.228 297 S C 0.909 175.435 174.600 -0.122 0.000 0.995 297 S CA 0.053 58.181 58.200 -0.120 0.000 0.934 297 S CB -1.200 61.926 63.200 -0.123 0.000 0.771 297 S HN -0.123 nan 8.310 nan 0.000 0.522 298 V N 4.057 123.892 119.914 -0.131 0.000 2.740 298 V HA 0.204 4.327 4.120 0.006 0.000 0.303 298 V C -2.115 173.870 176.094 -0.181 0.000 1.054 298 V CA -1.615 60.596 62.300 -0.148 0.000 1.106 298 V CB 0.124 31.847 31.823 -0.167 0.000 0.957 298 V HN 0.251 nan 8.190 nan 0.000 0.486 299 P HA 0.032 nan 4.420 nan 0.000 0.262 299 P C -0.345 176.790 177.300 -0.275 0.000 1.182 299 P CA 0.567 63.490 63.100 -0.295 0.000 0.761 299 P CB -0.071 31.501 31.700 -0.214 0.000 0.795 300 Y N 0.657 120.827 120.300 -0.217 0.000 4.929 300 Y HA -0.293 4.260 4.550 0.006 0.000 0.253 300 Y C 1.408 177.211 175.900 -0.161 0.000 0.946 300 Y CA 1.088 59.050 58.100 -0.230 0.000 1.905 300 Y CB -2.573 35.574 38.460 -0.522 0.000 1.400 300 Y HN 0.477 nan 8.280 nan 0.000 0.531 301 A N -0.460 122.330 122.820 -0.049 0.000 2.431 301 A HA 0.191 4.514 4.320 0.006 0.000 0.239 301 A C 0.837 178.421 177.584 -0.001 0.000 1.230 301 A CA 0.075 52.109 52.037 -0.006 0.000 0.928 301 A CB 0.023 19.013 19.000 -0.017 0.000 1.006 301 A HN 0.424 nan 8.150 nan 0.000 0.520 302 N N 1.371 120.057 118.700 -0.022 0.000 2.663 302 N HA 0.291 5.034 4.740 0.006 0.000 0.250 302 N C -0.098 175.411 175.510 -0.002 0.000 1.129 302 N CA -0.043 52.994 53.050 -0.022 0.000 0.995 302 N CB 0.263 38.727 38.487 -0.039 0.000 1.324 302 N HN 0.370 nan 8.380 nan 0.000 0.512 303 L N 1.500 122.724 121.223 0.000 0.000 2.858 303 L HA 0.293 4.636 4.340 0.006 0.000 0.251 303 L C 1.361 178.227 176.870 -0.007 0.000 1.149 303 L CA -0.150 54.695 54.840 0.008 0.000 0.955 303 L CB 0.376 42.448 42.059 0.022 0.000 1.289 303 L HN 0.553 nan 8.230 nan 0.000 0.542 304 G N 1.670 110.461 108.800 -0.015 0.000 2.283 304 G HA2 -0.299 3.665 3.960 0.006 0.000 0.280 304 G HA3 -0.299 3.665 3.960 0.006 0.000 0.280 304 G C 0.299 175.177 174.900 -0.037 0.000 1.029 304 G CA 0.061 45.152 45.100 -0.015 0.000 0.840 304 G HN 0.271 nan 8.290 nan 0.000 0.505 305 L N -0.491 120.676 121.223 -0.093 0.000 2.525 305 L HA 0.161 4.504 4.340 0.006 0.000 0.278 305 L C 1.211 178.008 176.870 -0.122 0.000 1.218 305 L CA 0.108 54.828 54.840 -0.200 0.000 0.878 305 L CB 0.539 42.286 42.059 -0.520 0.000 1.127 305 L HN 0.253 nan 8.230 nan 0.000 0.492 306 K N 5.707 126.094 120.400 -0.022 0.000 2.339 306 K HA 0.223 4.546 4.320 0.006 0.000 0.286 306 K C -2.149 174.554 176.600 0.171 0.000 1.050 306 K CA -1.351 54.984 56.287 0.080 0.000 0.956 306 K CB 0.697 33.260 32.500 0.105 0.000 0.990 306 K HN 0.255 nan 8.250 nan 0.000 0.475 307 P HA 0.035 nan 4.420 nan 0.000 0.272 307 P C -1.013 176.351 177.300 0.107 0.000 1.223 307 P CA -0.397 62.786 63.100 0.138 0.000 0.784 307 P CB 1.086 32.845 31.700 0.098 0.000 0.923 308 S N 1.396 117.099 115.700 0.005 0.000 2.512 308 S HA 0.206 4.680 4.470 0.006 0.000 0.291 308 S C 0.056 174.648 174.600 -0.013 0.000 1.151 308 S CA -0.331 57.769 58.200 -0.166 0.000 1.120 308 S CB -0.047 62.751 63.200 -0.670 0.000 1.029 308 S HN 0.357 nan 8.310 nan 0.000 0.485 309 Q N 1.355 121.263 119.800 0.180 0.000 2.306 309 Q HA 0.275 4.618 4.340 0.006 0.000 0.241 309 Q C -0.522 175.653 176.000 0.292 0.000 0.948 309 Q CA -0.625 55.294 55.803 0.194 0.000 0.886 309 Q CB 0.629 29.462 28.738 0.158 0.000 1.227 309 Q HN 0.655 nan 8.270 nan 0.000 0.457 310 Y N 2.573 122.939 120.300 0.111 0.000 2.916 310 Y HA -0.130 4.423 4.550 0.006 0.000 0.344 310 Y C -0.695 175.261 175.900 0.094 0.000 1.282 310 Y CA 0.915 59.075 58.100 0.099 0.000 1.604 310 Y CB 0.238 38.722 38.460 0.041 0.000 1.207 310 Y HN 0.474 nan 8.280 nan 0.000 0.561 311 D N 8.221 128.399 120.400 -0.370 0.000 2.491 311 D HA 0.169 4.813 4.640 0.006 0.000 0.232 311 D C -2.474 173.606 176.300 -0.366 0.000 1.334 311 D CA -1.221 52.520 54.000 -0.431 0.000 0.909 311 D CB 1.253 41.877 40.800 -0.294 0.000 1.513 311 D HN 0.250 nan 8.370 nan 0.000 0.514 312 P HA -0.092 nan 4.420 nan 0.000 0.222 312 P C 1.203 178.406 177.300 -0.161 0.000 1.147 312 P CA 1.100 64.074 63.100 -0.211 0.000 0.790 312 P CB 0.635 32.233 31.700 -0.169 0.000 0.780 313 Q N -0.071 119.612 119.800 -0.195 0.000 1.994 313 Q HA -0.100 4.244 4.340 0.006 0.000 0.198 313 Q C 2.104 178.000 176.000 -0.173 0.000 0.976 313 Q CA 1.516 57.227 55.803 -0.153 0.000 0.828 313 Q CB -0.508 28.145 28.738 -0.142 0.000 0.894 313 Q HN 0.164 nan 8.270 nan 0.000 0.432 314 K N 0.352 120.588 120.400 -0.274 0.000 2.059 314 K HA -0.246 4.078 4.320 0.006 0.000 0.212 314 K C 2.092 178.544 176.600 -0.247 0.000 1.050 314 K CA 1.388 57.456 56.287 -0.366 0.000 0.927 314 K CB -0.376 31.655 32.500 -0.782 0.000 0.714 314 K HN 0.224 nan 8.250 nan 0.000 0.447 315 A N 1.789 124.502 122.820 -0.179 0.000 1.865 315 A HA -0.232 4.091 4.320 0.006 0.000 0.217 315 A C 1.964 179.537 177.584 -0.017 0.000 1.191 315 A CA 1.761 53.792 52.037 -0.011 0.000 0.623 315 A CB -0.408 18.614 19.000 0.035 0.000 0.826 315 A HN 0.208 nan 8.150 nan 0.000 0.444 316 K N -0.514 119.863 120.400 -0.039 0.000 2.063 316 K HA -0.110 4.213 4.320 0.006 0.000 0.208 316 K C 2.306 178.901 176.600 -0.008 0.000 1.048 316 K CA 1.160 57.437 56.287 -0.018 0.000 0.928 316 K CB -0.328 32.156 32.500 -0.026 0.000 0.713 316 K HN 0.469 nan 8.250 nan 0.000 0.442 317 A N 1.416 124.215 122.820 -0.034 0.000 1.898 317 A HA -0.115 4.208 4.320 0.006 0.000 0.216 317 A C 2.122 179.707 177.584 0.002 0.000 1.181 317 A CA 1.127 53.149 52.037 -0.024 0.000 0.620 317 A CB -0.595 18.373 19.000 -0.053 0.000 0.819 317 A HN 0.151 nan 8.150 nan 0.000 0.442 318 L N -0.998 120.227 121.223 0.003 0.000 2.042 318 L HA -0.193 4.150 4.340 0.006 0.000 0.210 318 L C 2.488 179.402 176.870 0.073 0.000 1.076 318 L CA 0.716 55.581 54.840 0.040 0.000 0.749 318 L CB -0.535 41.563 42.059 0.064 0.000 0.893 318 L HN 0.291 nan 8.230 nan 0.000 0.432 319 L N -0.442 120.826 121.223 0.075 0.000 2.027 319 L HA -0.149 4.194 4.340 0.006 0.000 0.206 319 L C 2.704 179.686 176.870 0.187 0.000 1.074 319 L CA 1.640 56.563 54.840 0.139 0.000 0.745 319 L CB -1.055 41.054 42.059 0.084 0.000 0.898 319 L HN 0.223 nan 8.230 nan 0.000 0.433 320 E N -0.231 120.036 120.200 0.111 0.000 2.049 320 E HA -0.281 4.072 4.350 0.006 0.000 0.198 320 E C 2.190 178.828 176.600 0.063 0.000 1.007 320 E CA 1.107 57.555 56.400 0.081 0.000 0.809 320 E CB -0.213 29.513 29.700 0.042 0.000 0.749 320 E HN 0.382 nan 8.360 nan 0.000 0.450 321 K N 0.218 120.650 120.400 0.053 0.000 2.152 321 K HA -0.103 4.220 4.320 0.006 0.000 0.206 321 K C 1.743 178.373 176.600 0.050 0.000 1.048 321 K CA 1.103 57.413 56.287 0.039 0.000 0.933 321 K CB -0.026 32.494 32.500 0.033 0.000 0.721 321 K HN 0.037 nan 8.250 nan 0.000 0.447 322 A N -0.394 122.484 122.820 0.098 0.000 2.251 322 A HA 0.189 4.512 4.320 0.006 0.000 0.209 322 A C 1.180 178.787 177.584 0.038 0.000 1.187 322 A CA 0.938 53.046 52.037 0.118 0.000 0.823 322 A CB -0.018 19.126 19.000 0.240 0.000 0.846 322 A HN 0.462 nan 8.150 nan 0.000 0.486 323 G N -2.687 106.114 108.800 0.002 0.000 2.157 323 G HA2 -0.252 3.711 3.960 0.006 0.000 0.239 323 G HA3 -0.252 3.711 3.960 0.006 0.000 0.239 323 G C -0.207 174.565 174.900 -0.212 0.000 0.982 323 G CA -0.070 44.953 45.100 -0.127 0.000 0.650 323 G HN 0.431 nan 8.290 nan 0.000 0.527 324 W N 2.385 123.680 121.300 -0.008 0.000 2.422 324 W HA 0.551 5.215 4.660 0.006 0.000 0.349 324 W C 1.028 177.543 176.519 -0.008 0.000 1.062 324 W CA 0.257 57.597 57.345 -0.008 0.000 1.497 324 W CB 0.634 30.090 29.460 -0.007 0.000 1.407 324 W HN 0.356 nan 8.180 nan 0.000 0.393 325 T N 0.225 114.858 114.554 0.131 0.000 2.918 325 T HA 0.593 4.946 4.350 0.006 0.000 0.286 325 T C -0.424 174.326 174.700 0.083 0.000 1.026 325 T CA -1.014 61.135 62.100 0.081 0.000 1.031 325 T CB 1.271 70.151 68.868 0.020 0.000 1.046 325 T HN 0.168 nan 8.240 nan 0.000 0.479 326 L N 3.665 124.924 121.223 0.061 0.000 2.363 326 L HA 0.323 4.666 4.340 0.006 0.000 0.286 326 L C -1.728 175.161 176.870 0.032 0.000 1.106 326 L CA -1.813 53.057 54.840 0.050 0.000 0.859 326 L CB 0.266 42.348 42.059 0.037 0.000 1.223 326 L HN 0.566 nan 8.230 nan 0.000 0.446 327 P HA 0.138 nan 4.420 nan 0.000 0.276 327 P C -0.388 176.921 177.300 0.015 0.000 1.235 327 P CA -0.458 62.652 63.100 0.018 0.000 0.772 327 P CB 1.119 32.830 31.700 0.018 0.000 0.871 328 A N 3.121 125.946 122.820 0.009 0.000 2.545 328 A HA 0.405 4.728 4.320 0.006 0.000 0.253 328 A C 1.065 178.654 177.584 0.008 0.000 1.074 328 A CA 0.530 52.571 52.037 0.007 0.000 0.760 328 A CB -0.791 18.211 19.000 0.003 0.000 1.005 328 A HN 0.674 nan 8.150 nan 0.000 0.506 329 G N 3.152 111.957 108.800 0.009 0.000 4.519 329 G HA2 0.475 4.438 3.960 0.006 0.000 0.336 329 G HA3 0.475 4.438 3.960 0.006 0.000 0.336 329 G C -0.043 174.864 174.900 0.012 0.000 1.491 329 G CA -0.441 44.664 45.100 0.009 0.000 1.008 329 G HN 0.694 nan 8.290 nan 0.000 0.515 330 K N -0.298 120.112 120.400 0.016 0.000 2.450 330 K HA 0.546 4.870 4.320 0.006 0.000 0.248 330 K C -0.187 176.425 176.600 0.021 0.000 1.056 330 K CA -0.717 55.581 56.287 0.019 0.000 0.974 330 K CB 1.402 33.916 32.500 0.023 0.000 1.334 330 K HN 0.016 nan 8.250 nan 0.000 0.516 331 D N -0.499 119.914 120.400 0.022 0.000 2.500 331 D HA 0.183 4.826 4.640 0.006 0.000 0.217 331 D C -0.740 175.576 176.300 0.026 0.000 1.159 331 D CA 0.127 54.140 54.000 0.021 0.000 0.828 331 D CB 0.590 41.399 40.800 0.016 0.000 1.039 331 D HN 0.110 nan 8.370 nan 0.000 0.512 332 I N 1.684 122.275 120.570 0.034 0.000 2.355 332 I HA 0.311 4.485 4.170 0.006 0.000 0.288 332 I C 0.538 176.701 176.117 0.076 0.000 0.999 332 I CA -0.779 60.547 61.300 0.043 0.000 1.163 332 I CB 1.126 39.148 38.000 0.037 0.000 1.316 332 I HN -0.219 nan 8.210 nan 0.000 0.454 333 R N 3.397 123.957 120.500 0.100 0.000 2.756 333 R HA 0.174 4.517 4.340 0.006 0.000 0.264 333 R C 0.093 176.567 176.300 0.290 0.000 1.026 333 R CA 0.363 56.575 56.100 0.187 0.000 1.121 333 R CB 0.779 31.218 30.300 0.233 0.000 0.999 333 R HN 0.587 nan 8.270 nan 0.000 0.449 334 E N 0.745 121.108 120.200 0.272 0.000 2.367 334 E HA 0.338 4.692 4.350 0.006 0.000 0.273 334 E C -1.539 175.030 176.600 -0.052 0.000 0.903 334 E CA -0.858 55.655 56.400 0.188 0.000 0.764 334 E CB 1.769 31.514 29.700 0.074 0.000 1.252 334 E HN 0.374 nan 8.360 nan 0.000 0.446 335 K N 2.868 123.058 120.400 -0.350 0.000 2.616 335 K HA 0.224 4.548 4.320 0.006 0.000 0.255 335 K C -1.217 175.117 176.600 -0.443 0.000 0.995 335 K CA -0.253 55.644 56.287 -0.650 0.000 0.860 335 K CB 0.541 32.092 32.500 -1.581 0.000 1.264 335 K HN 0.806 nan 8.250 nan 0.000 0.451 336 N N 3.033 121.570 118.700 -0.272 0.000 2.740 336 N HA -0.228 4.515 4.740 0.006 0.000 0.248 336 N C 0.330 175.773 175.510 -0.113 0.000 1.062 336 N CA 0.647 53.591 53.050 -0.176 0.000 0.704 336 N CB -0.841 37.535 38.487 -0.185 0.000 0.968 336 N HN 1.093 nan 8.380 nan 0.000 0.547 337 G N -0.996 107.752 108.800 -0.086 0.000 2.159 337 G HA2 -0.312 3.651 3.960 0.006 0.000 0.256 337 G HA3 -0.312 3.651 3.960 0.006 0.000 0.256 337 G C -0.299 174.595 174.900 -0.010 0.000 0.977 337 G CA 0.343 45.420 45.100 -0.039 0.000 0.652 337 G HN 0.394 nan 8.290 nan 0.000 0.531 338 Q N 0.382 120.178 119.800 -0.007 0.000 2.340 338 Q HA 0.479 4.822 4.340 0.006 0.000 0.268 338 Q C -2.531 173.587 176.000 0.197 0.000 1.031 338 Q CA -2.043 53.809 55.803 0.083 0.000 0.804 338 Q CB 2.769 31.576 28.738 0.115 0.000 1.286 338 Q HN 0.311 nan 8.270 nan 0.000 0.448 339 P HA 0.103 nan 4.420 nan 0.000 0.274 339 P C -0.079 177.379 177.300 0.263 0.000 1.231 339 P CA -0.399 62.825 63.100 0.207 0.000 0.790 339 P CB 1.092 32.855 31.700 0.104 0.000 0.951 340 L N 2.364 123.697 121.223 0.184 0.000 2.382 340 L HA 0.108 4.452 4.340 0.006 0.000 0.259 340 L C 0.540 177.335 176.870 -0.124 0.000 1.291 340 L CA -0.012 54.725 54.840 -0.172 0.000 1.176 340 L CB -0.403 41.464 42.059 -0.320 0.000 1.373 340 L HN 0.257 nan 8.230 nan 0.000 0.426 341 R N 4.320 124.778 120.500 -0.070 0.000 2.393 341 R HA 0.677 5.020 4.340 0.006 0.000 0.315 341 R C -0.827 175.439 176.300 -0.057 0.000 0.952 341 R CA -0.250 55.825 56.100 -0.042 0.000 0.842 341 R CB 1.311 31.613 30.300 0.004 0.000 1.163 341 R HN 0.511 nan 8.270 nan 0.000 0.450 342 I N 2.899 123.434 120.570 -0.059 0.000 2.498 342 I HA 0.402 4.576 4.170 0.006 0.000 0.290 342 I C 0.085 176.190 176.117 -0.020 0.000 1.032 342 I CA -0.776 60.492 61.300 -0.055 0.000 1.073 342 I CB 2.452 40.399 38.000 -0.087 0.000 1.251 342 I HN 0.575 nan 8.210 nan 0.000 0.426 343 E N 5.489 125.688 120.200 -0.001 0.000 2.194 343 E HA 0.331 4.684 4.350 0.006 0.000 0.284 343 E C -1.055 175.573 176.600 0.046 0.000 1.035 343 E CA -0.804 55.612 56.400 0.028 0.000 0.836 343 E CB 2.069 31.789 29.700 0.032 0.000 1.070 343 E HN 0.229 nan 8.360 nan 0.000 0.401 344 L N 2.860 124.124 121.223 0.068 0.000 2.262 344 L HA 0.257 4.600 4.340 0.006 0.000 0.288 344 L C -0.737 176.258 176.870 0.208 0.000 1.035 344 L CA -0.223 54.672 54.840 0.091 0.000 0.820 344 L CB 1.329 43.414 42.059 0.044 0.000 1.204 344 L HN 0.246 nan 8.230 nan 0.000 0.424 345 S N 6.100 121.891 115.700 0.153 0.000 2.475 345 S HA 0.746 5.219 4.470 0.006 0.000 0.281 345 S C -0.638 174.110 174.600 0.247 0.000 1.198 345 S CA -0.292 57.974 58.200 0.110 0.000 1.063 345 S CB 0.214 63.447 63.200 0.055 0.000 0.972 345 S HN 0.515 nan 8.310 nan 0.000 0.486 346 F N 0.130 120.141 119.950 0.102 0.000 2.685 346 F HA 0.663 5.194 4.527 0.006 0.000 0.315 346 F C -1.032 174.812 175.800 0.073 0.000 1.126 346 F CA -1.676 56.418 58.000 0.155 0.000 0.950 346 F CB 0.468 39.643 39.000 0.292 0.000 1.360 346 F HN 0.272 nan 8.300 nan 0.000 0.469 347 I N 2.363 123.044 120.570 0.185 0.000 2.494 347 I HA 0.171 4.344 4.170 0.006 0.000 0.289 347 I C 1.475 177.646 176.117 0.091 0.000 1.106 347 I CA 0.393 61.727 61.300 0.057 0.000 1.369 347 I CB 0.620 38.656 38.000 0.059 0.000 1.410 347 I HN 1.015 nan 8.210 nan 0.000 0.523 348 G N 3.889 112.626 108.800 -0.104 0.000 2.448 348 G HA2 -0.233 3.730 3.960 0.006 0.000 0.219 348 G HA3 -0.233 3.730 3.960 0.006 0.000 0.219 348 G C 1.490 176.436 174.900 0.076 0.000 1.127 348 G CA 1.173 46.236 45.100 -0.063 0.000 0.766 348 G HN 0.668 nan 8.290 nan 0.000 0.552 349 T N -2.252 112.323 114.554 0.036 0.000 3.081 349 T HA 0.079 4.432 4.350 0.006 0.000 0.255 349 T C 0.662 175.377 174.700 0.024 0.000 1.113 349 T CA 0.347 62.463 62.100 0.026 0.000 1.082 349 T CB 0.106 68.974 68.868 -0.001 0.000 0.939 349 T HN 0.162 nan 8.240 nan 0.000 0.506 350 D N 1.183 121.610 120.400 0.045 0.000 2.359 350 D HA 0.556 5.200 4.640 0.006 0.000 0.250 350 D C 1.360 177.649 176.300 -0.019 0.000 1.264 350 D CA 0.150 54.149 54.000 -0.002 0.000 0.911 350 D CB 0.635 41.427 40.800 -0.014 0.000 1.056 350 D HN 0.228 nan 8.370 nan 0.000 0.499 351 A N 3.764 126.558 122.820 -0.044 0.000 1.940 351 A HA -0.191 4.132 4.320 0.006 0.000 0.219 351 A C 1.849 179.372 177.584 -0.101 0.000 1.176 351 A CA 0.918 52.923 52.037 -0.054 0.000 0.631 351 A CB -0.447 18.520 19.000 -0.055 0.000 0.814 351 A HN 0.622 nan 8.150 nan 0.000 0.446 352 L N -0.225 120.914 121.223 -0.139 0.000 2.072 352 L HA -0.035 4.309 4.340 0.006 0.000 0.205 352 L C 2.570 179.261 176.870 -0.297 0.000 1.079 352 L CA 2.345 57.072 54.840 -0.189 0.000 0.752 352 L CB -0.728 41.216 42.059 -0.191 0.000 0.906 352 L HN 0.309 nan 8.230 nan 0.000 0.436 353 S N -0.460 115.019 115.700 -0.368 0.000 2.356 353 S HA -0.224 4.250 4.470 0.006 0.000 0.223 353 S C 1.955 176.211 174.600 -0.573 0.000 1.032 353 S CA 1.480 59.290 58.200 -0.651 0.000 1.005 353 S CB -0.308 62.610 63.200 -0.471 0.000 0.867 353 S HN 0.423 nan 8.310 nan 0.000 0.449 354 K N 1.376 121.551 120.400 -0.376 0.000 2.032 354 K HA -0.147 4.176 4.320 0.006 0.000 0.209 354 K C 2.377 178.814 176.600 -0.273 0.000 1.048 354 K CA 1.764 57.823 56.287 -0.381 0.000 0.927 354 K CB -0.315 32.172 32.500 -0.021 0.000 0.712 354 K HN 0.489 nan 8.250 nan 0.000 0.441 355 S N 0.543 116.134 115.700 -0.182 0.000 2.383 355 S HA -0.142 4.332 4.470 0.006 0.000 0.227 355 S C 2.111 176.639 174.600 -0.120 0.000 1.026 355 S CA 1.097 59.224 58.200 -0.122 0.000 0.981 355 S CB -0.302 62.844 63.200 -0.089 0.000 0.818 355 S HN 0.283 nan 8.310 nan 0.000 0.472 356 M N 1.501 121.014 119.600 -0.145 0.000 2.159 356 M HA 0.001 4.484 4.480 0.006 0.000 0.263 356 M C 2.726 179.033 176.300 0.012 0.000 1.063 356 M CA 1.528 56.794 55.300 -0.057 0.000 1.110 356 M CB -0.728 31.839 32.600 -0.055 0.000 1.374 356 M HN 0.580 nan 8.290 nan 0.000 0.411 357 A N 0.244 123.033 122.820 -0.052 0.000 1.930 357 A HA -0.159 4.164 4.320 0.006 0.000 0.217 357 A C 1.858 179.379 177.584 -0.105 0.000 1.175 357 A CA 1.564 53.538 52.037 -0.105 0.000 0.627 357 A CB -0.574 18.132 19.000 -0.489 0.000 0.815 357 A HN 0.530 nan 8.150 nan 0.000 0.443 358 E N -0.305 119.828 120.200 -0.111 0.000 2.072 358 E HA -0.135 4.219 4.350 0.006 0.000 0.191 358 E C 1.831 178.405 176.600 -0.045 0.000 0.985 358 E CA 1.186 57.551 56.400 -0.058 0.000 0.801 358 E CB -0.289 29.381 29.700 -0.049 0.000 0.750 358 E HN 0.681 nan 8.360 nan 0.000 0.452 359 I N 0.989 121.528 120.570 -0.051 0.000 2.179 359 I HA -0.289 3.884 4.170 0.006 0.000 0.242 359 I C 2.317 178.408 176.117 -0.044 0.000 1.088 359 I CA 1.147 62.418 61.300 -0.049 0.000 1.357 359 I CB -0.161 37.804 38.000 -0.058 0.000 1.051 359 I HN 0.096 nan 8.210 nan 0.000 0.409 360 I N 0.040 120.586 120.570 -0.041 0.000 2.226 360 I HA -0.334 3.840 4.170 0.006 0.000 0.245 360 I C 2.679 178.772 176.117 -0.040 0.000 1.100 360 I CA 1.382 62.654 61.300 -0.045 0.000 1.374 360 I CB -0.388 37.574 38.000 -0.064 0.000 1.057 360 I HN 0.353 nan 8.210 nan 0.000 0.413 361 Q N 0.985 120.763 119.800 -0.035 0.000 2.096 361 Q HA -0.258 4.085 4.340 0.006 0.000 0.204 361 Q C 2.304 178.295 176.000 -0.015 0.000 0.982 361 Q CA 2.116 57.906 55.803 -0.022 0.000 0.850 361 Q CB -0.095 28.637 28.738 -0.009 0.000 0.901 361 Q HN 0.566 nan 8.270 nan 0.000 0.422 362 A N 0.775 123.586 122.820 -0.015 0.000 1.898 362 A HA -0.183 4.140 4.320 0.006 0.000 0.216 362 A C 1.683 179.267 177.584 -0.000 0.000 1.181 362 A CA 1.630 53.662 52.037 -0.009 0.000 0.620 362 A CB -0.518 18.474 19.000 -0.014 0.000 0.819 362 A HN 0.435 nan 8.150 nan 0.000 0.442 363 D N -0.313 120.085 120.400 -0.003 0.000 2.117 363 D HA -0.134 4.509 4.640 0.006 0.000 0.197 363 D C 1.961 178.282 176.300 0.035 0.000 0.987 363 D CA 1.385 55.400 54.000 0.025 0.000 0.829 363 D CB -0.330 40.476 40.800 0.011 0.000 0.961 363 D HN 0.469 nan 8.370 nan 0.000 0.460 364 M N -0.236 119.368 119.600 0.007 0.000 2.319 364 M HA -0.060 4.424 4.480 0.006 0.000 0.265 364 M C 2.198 178.493 176.300 -0.008 0.000 1.068 364 M CA 0.690 55.986 55.300 -0.006 0.000 1.118 364 M CB 0.051 32.631 32.600 -0.033 0.000 1.395 364 M HN -0.116 nan 8.290 nan 0.000 0.435 365 R N 0.261 120.759 120.500 -0.003 0.000 2.096 365 R HA -0.156 4.187 4.340 0.006 0.000 0.235 365 R C 1.983 178.288 176.300 0.008 0.000 1.127 365 R CA 1.212 57.312 56.100 -0.000 0.000 0.968 365 R CB 0.055 30.356 30.300 0.002 0.000 0.861 365 R HN 0.307 nan 8.270 nan 0.000 0.440 366 Q N 0.386 120.198 119.800 0.019 0.000 2.364 366 Q HA -0.136 4.207 4.340 0.006 0.000 0.209 366 Q C 1.718 177.728 176.000 0.016 0.000 0.977 366 Q CA 1.204 57.023 55.803 0.025 0.000 0.885 366 Q CB -0.054 28.714 28.738 0.050 0.000 0.941 366 Q HN 0.641 nan 8.270 nan 0.000 0.464 367 I N -5.119 115.457 120.570 0.010 0.000 3.941 367 I HA 0.454 4.627 4.170 0.006 0.000 0.335 367 I C 0.792 176.905 176.117 -0.007 0.000 1.402 367 I CA 0.353 61.652 61.300 -0.002 0.000 1.112 367 I CB 0.286 38.284 38.000 -0.004 0.000 1.043 367 I HN 0.064 nan 8.210 nan 0.000 0.395 368 G N 1.531 110.329 108.800 -0.004 0.000 2.143 368 G HA2 -0.187 3.777 3.960 0.006 0.000 0.248 368 G HA3 -0.187 3.777 3.960 0.006 0.000 0.248 368 G C 0.235 175.120 174.900 -0.024 0.000 0.991 368 G CA 0.033 45.133 45.100 -0.000 0.000 0.689 368 G HN 0.973 nan 8.290 nan 0.000 0.522 369 A N -0.269 122.522 122.820 -0.049 0.000 2.305 369 A HA 0.654 4.977 4.320 0.006 0.000 0.322 369 A C -0.323 177.229 177.584 -0.053 0.000 1.187 369 A CA -0.146 51.840 52.037 -0.086 0.000 0.825 369 A CB 1.030 19.953 19.000 -0.129 0.000 1.164 369 A HN 0.251 nan 8.150 nan 0.000 0.498 370 D N 2.225 122.596 120.400 -0.049 0.000 2.428 370 D HA 0.399 5.043 4.640 0.006 0.000 0.221 370 D C -0.657 175.627 176.300 -0.027 0.000 1.123 370 D CA 0.124 54.110 54.000 -0.024 0.000 0.869 370 D CB 0.959 41.756 40.800 -0.006 0.000 1.032 370 D HN 0.149 nan 8.370 nan 0.000 0.506 371 V N 3.526 123.428 119.914 -0.020 0.000 2.408 371 V HA 0.188 4.312 4.120 0.006 0.000 0.267 371 V C 0.401 176.505 176.094 0.017 0.000 1.047 371 V CA -0.502 61.790 62.300 -0.012 0.000 0.937 371 V CB 1.147 32.957 31.823 -0.021 0.000 0.999 371 V HN 0.510 nan 8.190 nan 0.000 0.472 372 S N 6.543 122.258 115.700 0.025 0.000 2.448 372 S HA 0.355 4.829 4.470 0.006 0.000 0.279 372 S C -0.194 174.464 174.600 0.096 0.000 1.195 372 S CA -0.500 57.729 58.200 0.048 0.000 1.051 372 S CB 0.476 63.696 63.200 0.033 0.000 0.948 372 S HN 0.425 nan 8.310 nan 0.000 0.493 373 L N 5.271 126.575 121.223 0.136 0.000 2.312 373 L HA 0.301 4.644 4.340 0.006 0.000 0.287 373 L C -0.369 176.613 176.870 0.187 0.000 1.091 373 L CA 0.088 55.099 54.840 0.286 0.000 0.846 373 L CB -0.033 42.206 42.059 0.300 0.000 1.219 373 L HN 0.542 nan 8.230 nan 0.000 0.439 374 I N 3.594 124.219 120.570 0.091 0.000 2.313 374 I HA 0.293 4.466 4.170 0.006 0.000 0.286 374 I C 0.997 176.799 176.117 -0.525 0.000 1.091 374 I CA -0.404 60.821 61.300 -0.126 0.000 1.216 374 I CB 0.592 38.559 38.000 -0.056 0.000 1.434 374 I HN 0.506 nan 8.210 nan 0.000 0.487 375 G N 5.666 114.082 108.800 -0.639 0.000 2.333 375 G HA2 0.522 4.485 3.960 0.006 0.000 0.290 375 G HA3 0.522 4.485 3.960 0.006 0.000 0.290 375 G C -0.137 174.516 174.900 -0.412 0.000 1.150 375 G CA -0.190 44.373 45.100 -0.895 0.000 0.895 375 G HN 0.595 nan 8.290 nan 0.000 0.444 376 E N 0.723 120.712 120.200 -0.352 0.000 2.445 376 E HA 0.568 4.921 4.350 0.006 0.000 0.273 376 E C 0.113 176.645 176.600 -0.113 0.000 0.961 376 E CA -0.841 55.455 56.400 -0.173 0.000 0.807 376 E CB 1.349 30.973 29.700 -0.127 0.000 1.362 376 E HN 0.587 nan 8.360 nan 0.000 0.453 377 E N 0.767 120.927 120.200 -0.065 0.000 2.392 377 E HA -0.025 4.328 4.350 0.006 0.000 0.259 377 E C 0.735 177.322 176.600 -0.022 0.000 1.108 377 E CA 0.272 56.649 56.400 -0.039 0.000 0.916 377 E CB 0.386 30.069 29.700 -0.028 0.000 0.989 377 E HN 0.706 nan 8.360 nan 0.000 0.432 378 E N 0.164 120.356 120.200 -0.013 0.000 2.070 378 E HA -0.245 4.108 4.350 0.006 0.000 0.197 378 E C 2.189 178.807 176.600 0.030 0.000 1.004 378 E CA 2.078 58.481 56.400 0.005 0.000 0.805 378 E CB -0.072 29.623 29.700 -0.009 0.000 0.744 378 E HN 0.701 nan 8.360 nan 0.000 0.451 379 S N -0.464 115.243 115.700 0.012 0.000 2.423 379 S HA -0.115 4.359 4.470 0.006 0.000 0.231 379 S C 2.104 176.769 174.600 0.107 0.000 1.014 379 S CA 1.456 59.674 58.200 0.030 0.000 0.965 379 S CB -0.061 63.128 63.200 -0.019 0.000 0.785 379 S HN 0.170 nan 8.310 nan 0.000 0.495 380 S N 0.684 116.419 115.700 0.058 0.000 2.406 380 S HA 0.065 4.538 4.470 0.006 0.000 0.228 380 S C 1.784 176.416 174.600 0.054 0.000 1.020 380 S CA 0.771 59.002 58.200 0.051 0.000 0.965 380 S CB -0.488 62.718 63.200 0.010 0.000 0.798 380 S HN 0.487 nan 8.310 nan 0.000 0.488 381 I N 1.183 121.782 120.570 0.048 0.000 2.179 381 I HA -0.115 4.058 4.170 0.006 0.000 0.242 381 I C 2.162 178.307 176.117 0.047 0.000 1.088 381 I CA 1.399 62.719 61.300 0.034 0.000 1.357 381 I CB -1.690 36.329 38.000 0.032 0.000 1.051 381 I HN 0.495 nan 8.210 nan 0.000 0.409 382 Y N 2.160 122.439 120.300 -0.036 0.000 2.165 382 Y HA -0.258 4.295 4.550 0.005 0.000 0.286 382 Y C 2.533 178.415 175.900 -0.030 0.000 1.155 382 Y CA 2.189 60.261 58.100 -0.046 0.000 1.164 382 Y CB -0.304 38.127 38.460 -0.049 0.000 0.978 382 Y HN 0.097 nan 8.280 nan 0.000 0.513 383 A N 0.894 123.726 122.820 0.019 0.000 1.902 383 A HA -0.168 4.156 4.320 0.006 0.000 0.217 383 A C 2.281 179.809 177.584 -0.094 0.000 1.181 383 A CA 1.709 53.701 52.037 -0.075 0.000 0.623 383 A CB -0.689 18.363 19.000 0.087 0.000 0.818 383 A HN 0.572 nan 8.150 nan 0.000 0.443 384 R N -0.512 119.980 120.500 -0.014 0.000 2.094 384 R HA -0.204 4.139 4.340 0.006 0.000 0.239 384 R C 2.526 178.904 176.300 0.129 0.000 1.137 384 R CA 1.942 58.083 56.100 0.069 0.000 0.943 384 R CB -0.446 29.911 30.300 0.096 0.000 0.850 384 R HN 0.691 nan 8.270 nan 0.000 0.433 385 Q N 0.024 119.797 119.800 -0.045 0.000 2.112 385 Q HA -0.195 4.149 4.340 0.006 0.000 0.206 385 Q C 2.189 178.170 176.000 -0.033 0.000 0.987 385 Q CA 1.573 57.314 55.803 -0.104 0.000 0.858 385 Q CB -0.133 28.444 28.738 -0.269 0.000 0.905 385 Q HN 0.345 nan 8.270 nan 0.000 0.420 386 R N 0.231 120.602 120.500 -0.214 0.000 2.092 386 R HA -0.098 4.246 4.340 0.006 0.000 0.231 386 R C 1.279 177.560 176.300 -0.033 0.000 1.119 386 R CA 1.217 57.205 56.100 -0.187 0.000 0.970 386 R CB 0.077 30.152 30.300 -0.374 0.000 0.864 386 R HN 0.216 nan 8.270 nan 0.000 0.440 387 D N -1.329 119.066 120.400 -0.010 0.000 2.354 387 D HA 0.087 4.730 4.640 0.006 0.000 0.209 387 D C 0.974 177.284 176.300 0.017 0.000 1.015 387 D CA 0.850 54.856 54.000 0.010 0.000 0.867 387 D CB 0.753 41.554 40.800 0.001 0.000 0.933 387 D HN 0.384 nan 8.370 nan 0.000 0.520 388 G N 1.689 110.526 108.800 0.062 0.000 2.143 388 G HA2 -0.358 3.605 3.960 0.006 0.000 0.248 388 G HA3 -0.358 3.605 3.960 0.006 0.000 0.248 388 G C 0.688 175.413 174.900 -0.292 0.000 0.991 388 G CA -0.070 44.947 45.100 -0.139 0.000 0.689 388 G HN 0.329 nan 8.290 nan 0.000 0.522 389 R N 0.154 120.636 120.500 -0.031 0.000 4.792 389 R HA 0.499 4.843 4.340 0.006 0.000 0.205 389 R C -0.011 176.344 176.300 0.092 0.000 1.875 389 R CA 0.061 56.151 56.100 -0.016 0.000 1.588 389 R CB -0.753 29.563 30.300 0.028 0.000 1.401 389 R HN 0.535 nan 8.270 nan 0.000 0.834 390 F N -4.086 115.838 119.950 -0.043 0.000 2.645 390 F HA 0.580 5.111 4.527 0.006 0.000 0.310 390 F C 0.543 176.312 175.800 -0.052 0.000 1.102 390 F CA -1.194 56.779 58.000 -0.045 0.000 0.952 390 F CB 0.668 39.639 39.000 -0.049 0.000 1.326 390 F HN -0.084 nan 8.300 nan 0.000 0.456 391 G N 0.936 109.825 108.800 0.148 0.000 2.508 391 G HA2 0.318 4.281 3.960 0.006 0.000 0.212 391 G HA3 0.318 4.281 3.960 0.006 0.000 0.212 391 G C -0.063 174.937 174.900 0.167 0.000 1.206 391 G CA -0.004 45.133 45.100 0.062 0.000 0.822 391 G HN 0.500 nan 8.290 nan 0.000 0.550 392 M N 0.545 120.238 119.600 0.155 0.000 2.518 392 M HA 0.575 5.059 4.480 0.006 0.000 0.300 392 M C -1.246 175.039 176.300 -0.026 0.000 1.175 392 M CA -0.665 54.672 55.300 0.062 0.000 0.890 392 M CB 2.799 35.354 32.600 -0.074 0.000 1.710 392 M HN 0.267 nan 8.290 nan 0.000 0.453 393 I N -2.129 118.333 120.570 -0.180 0.000 2.969 393 I HA 0.642 4.816 4.170 0.006 0.000 0.307 393 I C -1.250 174.733 176.117 -0.222 0.000 1.149 393 I CA -0.914 60.233 61.300 -0.254 0.000 1.008 393 I CB 1.819 39.511 38.000 -0.513 0.000 1.232 393 I HN 0.439 nan 8.210 nan 0.000 0.435 394 F N 2.335 122.277 119.950 -0.012 0.000 2.429 394 F HA 0.481 5.011 4.527 0.006 0.000 0.348 394 F C 0.401 176.261 175.800 0.099 0.000 1.109 394 F CA 0.746 58.764 58.000 0.032 0.000 1.232 394 F CB 0.488 39.504 39.000 0.026 0.000 1.157 394 F HN 0.554 nan 8.300 nan 0.000 0.564 395 H N 1.845 121.027 119.070 0.186 0.000 2.960 395 H HA 0.706 5.265 4.556 0.006 0.000 0.323 395 H C -1.308 174.079 175.328 0.099 0.000 1.326 395 H CA -1.380 54.747 56.048 0.132 0.000 1.124 395 H CB 1.774 31.617 29.762 0.136 0.000 1.853 395 H HN 0.642 nan 8.280 nan 0.000 0.536 396 R N -0.326 120.009 120.500 -0.274 0.000 2.663 396 R HA 0.534 4.878 4.340 0.006 0.000 0.267 396 R C -0.877 175.163 176.300 -0.432 0.000 1.038 396 R CA -0.625 55.322 56.100 -0.256 0.000 0.886 396 R CB 1.047 31.308 30.300 -0.064 0.000 1.249 396 R HN 0.706 nan 8.270 nan 0.000 0.463 397 T N -2.164 112.062 114.554 -0.546 0.000 2.771 397 T HA 0.244 4.597 4.350 0.006 0.000 0.290 397 T C 0.023 174.679 174.700 -0.074 0.000 1.005 397 T CA -0.455 61.159 62.100 -0.810 0.000 0.944 397 T CB 0.479 68.778 68.868 -0.950 0.000 1.147 397 T HN 0.676 nan 8.240 nan 0.000 0.534 398 W N 0.232 121.477 121.300 -0.091 0.000 3.103 398 W HA 0.492 5.155 4.660 0.005 0.000 0.325 398 W C 1.348 177.907 176.519 0.067 0.000 1.170 398 W CA 0.039 57.359 57.345 -0.042 0.000 1.712 398 W CB -1.409 27.983 29.460 -0.114 0.000 1.068 398 W HN 1.386 nan 8.180 nan 0.000 0.592 399 G N 1.119 110.094 108.800 0.293 0.000 2.828 399 G HA2 0.076 4.039 3.960 0.006 0.000 0.463 399 G HA3 0.076 4.039 3.960 0.006 0.000 0.463 399 G C -0.027 175.056 174.900 0.305 0.000 1.394 399 G CA -0.598 44.649 45.100 0.244 0.000 0.862 399 G HN 0.448 nan 8.290 nan 0.000 0.540 400 A N 0.569 123.503 122.820 0.190 0.000 2.425 400 A HA 0.684 5.007 4.320 0.006 0.000 0.249 400 A C -0.504 177.038 177.584 -0.070 0.000 1.084 400 A CA -0.113 51.975 52.037 0.085 0.000 0.781 400 A CB 0.581 19.675 19.000 0.157 0.000 1.019 400 A HN 0.782 nan 8.150 nan 0.000 0.490 401 P HA 0.099 nan 4.420 nan 0.000 0.261 401 P C 0.145 177.363 177.300 -0.136 0.000 1.352 401 P CA 0.451 63.270 63.100 -0.469 0.000 0.891 401 P CB -0.115 30.994 31.700 -0.985 0.000 1.383 402 Y N 0.119 120.478 120.300 0.098 0.000 2.242 402 Y HA -0.049 4.504 4.550 0.005 0.000 0.291 402 Y C 0.964 176.932 175.900 0.113 0.000 1.137 402 Y CA 0.705 58.926 58.100 0.202 0.000 1.181 402 Y CB -0.686 38.072 38.460 0.498 0.000 0.989 402 Y HN -0.050 nan 8.280 nan 0.000 0.527 403 D N 1.149 121.690 120.400 0.235 0.000 2.277 403 D HA 0.102 4.745 4.640 0.006 0.000 0.249 403 D C -1.586 174.604 176.300 -0.183 0.000 1.134 403 D CA -1.764 52.226 54.000 -0.017 0.000 0.863 403 D CB 1.210 42.022 40.800 0.020 0.000 1.143 403 D HN 0.135 nan 8.370 nan 0.000 0.458 404 P HA -0.033 nan 4.420 nan 0.000 0.252 404 P C 1.196 178.502 177.300 0.010 0.000 1.211 404 P CA 0.416 63.163 63.100 -0.588 0.000 0.824 404 P CB 0.272 31.380 31.700 -0.987 0.000 1.077 405 H N 0.990 120.135 119.070 0.125 0.000 2.353 405 H HA 0.020 4.579 4.556 0.006 0.000 0.300 405 H C 1.534 177.048 175.328 0.310 0.000 1.090 405 H CA 1.784 58.004 56.048 0.287 0.000 1.327 405 H CB -0.827 29.075 29.762 0.233 0.000 1.383 405 H HN 0.017 nan 8.280 nan 0.000 0.508 406 A N 0.966 123.419 122.820 -0.613 0.000 1.897 406 A HA -0.058 4.266 4.320 0.006 0.000 0.215 406 A C 2.448 180.194 177.584 0.270 0.000 1.181 406 A CA 0.840 52.858 52.037 -0.033 0.000 0.620 406 A CB -1.273 17.892 19.000 0.274 0.000 0.821 406 A HN 0.408 nan 8.150 nan 0.000 0.443 407 F N 0.770 120.678 119.950 -0.071 0.000 2.120 407 F HA -0.225 4.306 4.527 0.006 0.000 0.300 407 F C 1.995 177.717 175.800 -0.131 0.000 1.095 407 F CA 1.901 59.586 58.000 -0.525 0.000 1.249 407 F CB -0.107 38.639 39.000 -0.423 0.000 0.995 407 F HN 0.141 nan 8.300 nan 0.000 0.480 408 L N -1.391 119.971 121.223 0.231 0.000 2.056 408 L HA -0.215 4.129 4.340 0.006 0.000 0.207 408 L C 2.685 179.648 176.870 0.155 0.000 1.078 408 L CA 1.326 56.303 54.840 0.227 0.000 0.749 408 L CB -1.078 41.183 42.059 0.336 0.000 0.901 408 L HN 0.143 nan 8.230 nan 0.000 0.433 409 S N 0.212 116.027 115.700 0.191 0.000 2.359 409 S HA -0.239 4.234 4.470 0.006 0.000 0.223 409 S C 2.172 176.872 174.600 0.167 0.000 1.039 409 S CA 2.078 60.402 58.200 0.206 0.000 1.042 409 S CB -0.237 63.126 63.200 0.272 0.000 0.915 409 S HN 0.617 nan 8.310 nan 0.000 0.439 410 S N 0.405 116.211 115.700 0.177 0.000 2.515 410 S HA 0.083 4.556 4.470 0.006 0.000 0.231 410 S C 1.722 176.348 174.600 0.043 0.000 0.987 410 S CA 0.664 58.958 58.200 0.156 0.000 0.936 410 S CB -0.532 62.912 63.200 0.406 0.000 0.766 410 S HN 0.560 nan 8.310 nan 0.000 0.528 411 M N 0.809 120.429 119.600 0.033 0.000 2.446 411 M HA 0.027 4.510 4.480 0.006 0.000 0.263 411 M C 2.045 178.504 176.300 0.266 0.000 1.066 411 M CA 1.097 56.466 55.300 0.115 0.000 1.087 411 M CB -0.250 32.413 32.600 0.106 0.000 1.406 411 M HN 0.322 nan 8.290 nan 0.000 0.459 412 R N -0.538 120.082 120.500 0.200 0.000 2.297 412 R HA 0.151 4.495 4.340 0.006 0.000 0.197 412 R C -0.087 176.245 176.300 0.053 0.000 0.943 412 R CA 0.038 56.281 56.100 0.238 0.000 1.038 412 R CB 0.243 30.625 30.300 0.138 0.000 0.957 412 R HN 0.117 nan 8.270 nan 0.000 0.484 413 V N 3.704 123.536 119.914 -0.137 0.000 2.383 413 V HA 0.219 4.343 4.120 0.006 0.000 0.275 413 V C -2.154 173.455 176.094 -0.809 0.000 1.036 413 V CA -2.391 59.651 62.300 -0.431 0.000 0.889 413 V CB 1.346 32.887 31.823 -0.470 0.000 0.985 413 V HN -0.040 nan 8.190 nan 0.000 0.459 414 P HA 0.219 nan 4.420 nan 0.000 0.272 414 P C 0.496 177.601 177.300 -0.325 0.000 1.223 414 P CA 0.207 62.584 63.100 -1.204 0.000 0.784 414 P CB 0.702 31.949 31.700 -0.755 0.000 0.923 415 S N -2.275 113.388 115.700 -0.062 0.000 2.931 415 S HA -0.155 4.318 4.470 0.006 0.000 0.271 415 S C 0.172 174.887 174.600 0.190 0.000 1.309 415 S CA 0.838 59.079 58.200 0.069 0.000 1.181 415 S CB -2.248 60.980 63.200 0.047 0.000 1.435 415 S HN 0.674 nan 8.310 nan 0.000 0.670 416 H N -0.327 118.739 119.070 -0.007 0.000 2.499 416 H HA 0.778 5.337 4.556 0.006 0.000 0.340 416 H C 1.094 176.476 175.328 0.090 0.000 1.148 416 H CA 0.028 56.094 56.048 0.030 0.000 1.215 416 H CB 0.852 30.650 29.762 0.060 0.000 1.529 416 H HN 0.143 nan 8.280 nan 0.000 0.510 417 A N 2.007 124.871 122.820 0.074 0.000 1.892 417 A HA -0.228 4.096 4.320 0.006 0.000 0.218 417 A C 1.729 179.390 177.584 0.128 0.000 1.188 417 A CA 2.201 54.233 52.037 -0.008 0.000 0.631 417 A CB -0.371 18.384 19.000 -0.408 0.000 0.822 417 A HN 0.820 nan 8.150 nan 0.000 0.447 418 D N -1.447 119.043 120.400 0.150 0.000 2.097 418 D HA -0.129 4.514 4.640 0.006 0.000 0.197 418 D C 1.742 178.160 176.300 0.196 0.000 0.984 418 D CA 1.403 55.526 54.000 0.205 0.000 0.826 418 D CB -0.401 40.508 40.800 0.181 0.000 0.973 418 D HN 0.492 nan 8.370 nan 0.000 0.460 419 F N 2.077 122.077 119.950 0.083 0.000 2.091 419 F HA -0.258 4.272 4.527 0.005 0.000 0.299 419 F C 2.499 178.327 175.800 0.047 0.000 1.103 419 F CA 1.520 59.555 58.000 0.058 0.000 1.228 419 F CB 0.026 39.057 39.000 0.053 0.000 0.984 419 F HN -0.178 nan 8.300 nan 0.000 0.477 420 Q N 0.345 120.306 119.800 0.268 0.000 2.046 420 Q HA -0.124 4.219 4.340 0.006 0.000 0.200 420 Q C 2.531 178.520 176.000 -0.020 0.000 0.975 420 Q CA 1.513 57.396 55.803 0.132 0.000 0.836 420 Q CB -1.080 27.793 28.738 0.225 0.000 0.896 420 Q HN 0.542 nan 8.270 nan 0.000 0.428 421 A N 0.781 123.662 122.820 0.100 0.000 1.978 421 A HA -0.196 4.127 4.320 0.006 0.000 0.220 421 A C 1.819 179.334 177.584 -0.115 0.000 1.170 421 A CA 1.402 53.452 52.037 0.021 0.000 0.636 421 A CB -0.312 18.750 19.000 0.104 0.000 0.810 421 A HN 0.400 nan 8.150 nan 0.000 0.448 422 Q N -1.054 118.664 119.800 -0.136 0.000 2.360 422 Q HA 0.034 4.378 4.340 0.006 0.000 0.202 422 Q C 1.444 177.312 176.000 -0.220 0.000 0.915 422 Q CA -0.071 55.630 55.803 -0.169 0.000 0.943 422 Q CB 0.216 28.874 28.738 -0.133 0.000 1.064 422 Q HN 0.533 nan 8.270 nan 0.000 0.511 423 Q N -0.403 119.240 119.800 -0.262 0.000 2.291 423 Q HA -0.068 4.275 4.340 0.006 0.000 0.206 423 Q C 1.756 177.652 176.000 -0.173 0.000 0.976 423 Q CA 1.310 56.951 55.803 -0.269 0.000 0.875 423 Q CB -0.156 28.434 28.738 -0.247 0.000 0.927 423 Q HN 0.445 nan 8.270 nan 0.000 0.450 424 G N -0.418 108.295 108.800 -0.145 0.000 2.985 424 G HA2 0.158 4.122 3.960 0.006 0.000 0.209 424 G HA3 0.158 4.122 3.960 0.006 0.000 0.209 424 G C 0.385 175.233 174.900 -0.086 0.000 1.165 424 G CA -0.259 44.777 45.100 -0.106 0.000 0.776 424 G HN 0.149 nan 8.290 nan 0.000 0.541 425 L N 1.093 122.260 121.223 -0.094 0.000 2.319 425 L HA 0.336 4.679 4.340 0.006 0.000 0.280 425 L C 1.857 178.694 176.870 -0.055 0.000 1.099 425 L CA -0.652 54.147 54.840 -0.068 0.000 0.828 425 L CB 1.491 43.511 42.059 -0.065 0.000 1.150 425 L HN 0.110 nan 8.230 nan 0.000 0.442 426 A N 2.575 125.373 122.820 -0.037 0.000 1.978 426 A HA -0.188 4.135 4.320 0.006 0.000 0.220 426 A C 1.443 179.014 177.584 -0.021 0.000 1.170 426 A CA 1.776 53.797 52.037 -0.027 0.000 0.636 426 A CB -0.389 18.601 19.000 -0.016 0.000 0.810 426 A HN 0.905 nan 8.150 nan 0.000 0.448 427 D N -1.288 119.102 120.400 -0.017 0.000 2.358 427 D HA 0.055 4.698 4.640 0.006 0.000 0.224 427 D C 1.180 177.474 176.300 -0.010 0.000 1.123 427 D CA 0.294 54.290 54.000 -0.006 0.000 0.833 427 D CB 0.075 40.879 40.800 0.006 0.000 0.946 427 D HN 0.220 nan 8.370 nan 0.000 0.505 428 K N 1.618 121.997 120.400 -0.034 0.000 2.074 428 K HA -0.086 4.237 4.320 0.006 0.000 0.209 428 K C -0.877 175.709 176.600 -0.024 0.000 1.048 428 K CA 1.325 57.582 56.287 -0.050 0.000 0.926 428 K CB -1.215 31.214 32.500 -0.118 0.000 0.713 428 K HN 0.150 nan 8.250 nan 0.000 0.444 429 P HA -0.115 nan 4.420 nan 0.000 0.216 429 P C 1.268 178.581 177.300 0.022 0.000 1.153 429 P CA 0.759 63.865 63.100 0.010 0.000 0.848 429 P CB -0.017 31.688 31.700 0.008 0.000 0.787 430 L N -0.522 120.711 121.223 0.017 0.000 2.012 430 L HA -0.147 4.196 4.340 0.006 0.000 0.210 430 L C 2.199 179.088 176.870 0.030 0.000 1.073 430 L CA 1.749 56.602 54.840 0.022 0.000 0.748 430 L CB -1.358 40.712 42.059 0.019 0.000 0.891 430 L HN -0.130 nan 8.230 nan 0.000 0.431 431 I N -0.329 120.262 120.570 0.034 0.000 2.163 431 I HA -0.320 3.853 4.170 0.006 0.000 0.243 431 I C 2.030 178.185 176.117 0.062 0.000 1.085 431 I CA 1.545 62.876 61.300 0.052 0.000 1.347 431 I CB -0.464 37.571 38.000 0.057 0.000 1.044 431 I HN 0.286 nan 8.210 nan 0.000 0.408 432 D N 0.493 120.930 120.400 0.062 0.000 2.144 432 D HA -0.202 4.441 4.640 0.006 0.000 0.199 432 D C 2.075 178.416 176.300 0.068 0.000 0.984 432 D CA 1.072 55.121 54.000 0.082 0.000 0.834 432 D CB -0.199 40.661 40.800 0.100 0.000 0.955 432 D HN 0.261 nan 8.370 nan 0.000 0.465 433 K N 0.855 121.286 120.400 0.052 0.000 2.057 433 K HA -0.149 4.174 4.320 0.006 0.000 0.207 433 K C 1.827 178.446 176.600 0.033 0.000 1.049 433 K CA 1.192 57.504 56.287 0.042 0.000 0.931 433 K CB 0.120 32.640 32.500 0.032 0.000 0.714 433 K HN 0.091 nan 8.250 nan 0.000 0.440 434 E N 0.376 120.592 120.200 0.027 0.000 2.110 434 E HA -0.178 4.175 4.350 0.006 0.000 0.193 434 E C 2.068 178.665 176.600 -0.006 0.000 0.988 434 E CA 1.282 57.685 56.400 0.005 0.000 0.804 434 E CB -0.097 29.607 29.700 0.006 0.000 0.745 434 E HN 0.376 nan 8.360 nan 0.000 0.458 435 I N 0.933 121.522 120.570 0.032 0.000 2.179 435 I HA -0.204 3.970 4.170 0.006 0.000 0.242 435 I C 2.592 178.746 176.117 0.061 0.000 1.088 435 I CA 1.213 62.544 61.300 0.051 0.000 1.357 435 I CB -0.602 37.461 38.000 0.105 0.000 1.051 435 I HN 0.162 nan 8.210 nan 0.000 0.409 436 G N 0.473 109.314 108.800 0.069 0.000 2.476 436 G HA2 -0.262 3.702 3.960 0.006 0.000 0.218 436 G HA3 -0.262 3.702 3.960 0.006 0.000 0.218 436 G C 1.501 176.442 174.900 0.068 0.000 1.164 436 G CA 0.872 46.018 45.100 0.078 0.000 0.768 436 G HN 0.429 nan 8.290 nan 0.000 0.560 437 E N 0.052 120.271 120.200 0.032 0.000 2.051 437 E HA -0.120 4.233 4.350 0.006 0.000 0.192 437 E C 2.857 179.445 176.600 -0.020 0.000 0.991 437 E CA 1.520 57.927 56.400 0.011 0.000 0.799 437 E CB -0.318 29.375 29.700 -0.012 0.000 0.748 437 E HN 0.430 nan 8.360 nan 0.000 0.449 438 V N -0.269 119.588 119.914 -0.095 0.000 2.392 438 V HA -0.223 3.901 4.120 0.006 0.000 0.249 438 V C 2.026 178.109 176.094 -0.018 0.000 1.059 438 V CA 1.355 63.522 62.300 -0.222 0.000 1.051 438 V CB -0.491 30.971 31.823 -0.603 0.000 0.658 438 V HN 0.133 nan 8.190 nan 0.000 0.455 439 L N 0.537 121.821 121.223 0.100 0.000 2.217 439 L HA 0.233 4.576 4.340 0.006 0.000 0.211 439 L C 2.645 179.666 176.870 0.253 0.000 1.107 439 L CA 1.913 56.881 54.840 0.215 0.000 0.783 439 L CB -1.452 40.777 42.059 0.284 0.000 0.919 439 L HN 0.500 nan 8.230 nan 0.000 0.442 440 A N -2.142 120.798 122.820 0.201 0.000 2.014 440 A HA 0.018 4.342 4.320 0.006 0.000 0.210 440 A C 1.427 179.124 177.584 0.188 0.000 1.188 440 A CA 0.438 52.601 52.037 0.209 0.000 0.731 440 A CB -0.387 18.709 19.000 0.160 0.000 0.858 440 A HN 0.293 nan 8.150 nan 0.000 0.464 441 T N 0.404 115.021 114.554 0.104 0.000 2.928 441 T HA 0.168 4.521 4.350 0.006 0.000 0.305 441 T C 0.915 175.645 174.700 0.050 0.000 1.035 441 T CA 0.496 62.617 62.100 0.035 0.000 1.145 441 T CB 0.166 68.975 68.868 -0.099 0.000 0.963 441 T HN 0.640 nan 8.240 nan 0.000 0.545 442 H N 1.533 120.610 119.070 0.012 0.000 2.539 442 H HA 0.372 4.932 4.556 0.006 0.000 0.269 442 H C 0.162 175.486 175.328 -0.006 0.000 0.980 442 H CA -0.524 55.532 56.048 0.014 0.000 1.152 442 H CB 0.277 30.056 29.762 0.028 0.000 1.407 442 H HN 0.365 nan 8.280 nan 0.000 0.564 443 D N 1.034 121.285 120.400 -0.249 0.000 2.349 443 D HA 0.026 4.670 4.640 0.006 0.000 0.232 443 D C 0.775 177.003 176.300 -0.121 0.000 1.071 443 D CA -0.422 53.472 54.000 -0.176 0.000 0.832 443 D CB 1.192 41.849 40.800 -0.240 0.000 1.086 443 D HN 0.090 nan 8.370 nan 0.000 0.504 444 E N 1.933 122.092 120.200 -0.068 0.000 2.110 444 E HA -0.112 4.242 4.350 0.006 0.000 0.193 444 E C 1.391 177.978 176.600 -0.022 0.000 0.988 444 E CA 1.090 57.463 56.400 -0.045 0.000 0.804 444 E CB 0.031 29.731 29.700 -0.001 0.000 0.745 444 E HN 0.576 nan 8.360 nan 0.000 0.458 445 T N 1.226 115.766 114.554 -0.023 0.000 2.652 445 T HA -0.217 4.136 4.350 0.006 0.000 0.267 445 T C 1.918 176.603 174.700 -0.025 0.000 1.039 445 T CA 1.815 63.909 62.100 -0.010 0.000 1.153 445 T CB -0.211 68.649 68.868 -0.013 0.000 0.863 445 T HN 0.073 nan 8.240 nan 0.000 0.428 446 Q N 1.139 120.902 119.800 -0.062 0.000 2.124 446 Q HA -0.019 4.324 4.340 0.006 0.000 0.202 446 Q C 2.231 178.168 176.000 -0.106 0.000 0.977 446 Q CA 1.511 57.266 55.803 -0.079 0.000 0.850 446 Q CB -0.273 28.400 28.738 -0.108 0.000 0.901 446 Q HN 0.464 nan 8.270 nan 0.000 0.429 447 R N -0.475 119.942 120.500 -0.137 0.000 2.081 447 R HA -0.179 4.164 4.340 0.006 0.000 0.235 447 R C 2.183 178.396 176.300 -0.144 0.000 1.131 447 R CA 1.898 57.861 56.100 -0.227 0.000 0.960 447 R CB -0.088 30.031 30.300 -0.302 0.000 0.856 447 R HN 0.411 nan 8.270 nan 0.000 0.436 448 Q N -0.413 119.394 119.800 0.012 0.000 2.079 448 Q HA -0.093 4.251 4.340 0.006 0.000 0.200 448 Q C 2.157 178.220 176.000 0.106 0.000 0.974 448 Q CA 1.576 57.471 55.803 0.154 0.000 0.840 448 Q CB -0.093 28.756 28.738 0.186 0.000 0.898 448 Q HN 0.454 nan 8.270 nan 0.000 0.430 449 A N 0.724 123.566 122.820 0.037 0.000 1.933 449 A HA -0.159 4.164 4.320 0.006 0.000 0.218 449 A C 2.031 179.623 177.584 0.013 0.000 1.175 449 A CA 1.117 53.170 52.037 0.027 0.000 0.628 449 A CB -0.578 18.425 19.000 0.005 0.000 0.814 449 A HN 0.280 nan 8.150 nan 0.000 0.444 450 L N -2.439 118.754 121.223 -0.050 0.000 2.072 450 L HA -0.156 4.187 4.340 0.006 0.000 0.205 450 L C 2.549 179.386 176.870 -0.054 0.000 1.079 450 L CA 1.321 56.107 54.840 -0.090 0.000 0.752 450 L CB -0.645 41.303 42.059 -0.185 0.000 0.906 450 L HN 0.479 nan 8.230 nan 0.000 0.436 451 Y N -0.123 120.164 120.300 -0.021 0.000 2.207 451 Y HA -0.309 4.245 4.550 0.006 0.000 0.287 451 Y C 2.926 178.863 175.900 0.062 0.000 1.156 451 Y CA 1.301 59.409 58.100 0.014 0.000 1.182 451 Y CB -0.177 38.266 38.460 -0.029 0.000 0.979 451 Y HN 0.107 nan 8.280 nan 0.000 0.521 452 R N 0.588 121.214 120.500 0.209 0.000 2.083 452 R HA -0.224 4.119 4.340 0.006 0.000 0.237 452 R C 1.818 178.192 176.300 0.124 0.000 1.137 452 R CA 2.284 58.472 56.100 0.148 0.000 0.951 452 R CB -0.480 29.883 30.300 0.106 0.000 0.851 452 R HN 0.304 nan 8.270 nan 0.000 0.434 453 D N -0.119 120.339 120.400 0.096 0.000 2.097 453 D HA -0.134 4.509 4.640 0.006 0.000 0.195 453 D C 1.942 178.304 176.300 0.103 0.000 0.989 453 D CA 1.713 55.762 54.000 0.081 0.000 0.827 453 D CB -0.007 40.823 40.800 0.051 0.000 0.966 453 D HN 0.320 nan 8.370 nan 0.000 0.456 454 I N 0.144 120.785 120.570 0.118 0.000 2.091 454 I HA -0.289 3.884 4.170 0.006 0.000 0.239 454 I C 2.445 178.677 176.117 0.192 0.000 1.061 454 I CA 0.936 62.326 61.300 0.150 0.000 1.317 454 I CB -0.373 37.728 38.000 0.169 0.000 1.031 454 I HN 0.132 nan 8.210 nan 0.000 0.401 455 L N -0.088 121.270 121.223 0.225 0.000 2.083 455 L HA -0.181 4.163 4.340 0.006 0.000 0.209 455 L C 2.655 179.646 176.870 0.200 0.000 1.083 455 L CA 1.515 56.498 54.840 0.238 0.000 0.752 455 L CB -1.008 41.203 42.059 0.252 0.000 0.899 455 L HN 0.320 nan 8.230 nan 0.000 0.433 456 T N -0.758 113.890 114.554 0.157 0.000 2.746 456 T HA -0.165 4.188 4.350 0.006 0.000 0.267 456 T C 2.039 176.837 174.700 0.163 0.000 1.039 456 T CA 1.123 63.310 62.100 0.144 0.000 1.142 456 T CB -0.162 68.767 68.868 0.101 0.000 0.866 456 T HN 0.270 nan 8.240 nan 0.000 0.444 457 R N 0.568 121.149 120.500 0.134 0.000 2.083 457 R HA 0.009 4.352 4.340 0.006 0.000 0.237 457 R C 2.493 178.866 176.300 0.121 0.000 1.137 457 R CA 1.217 57.383 56.100 0.110 0.000 0.951 457 R CB -0.633 29.719 30.300 0.088 0.000 0.851 457 R HN 0.348 nan 8.270 nan 0.000 0.434 458 L N -0.897 120.424 121.223 0.163 0.000 2.131 458 L HA -0.217 4.127 4.340 0.006 0.000 0.210 458 L C 2.462 179.445 176.870 0.187 0.000 1.092 458 L CA 1.414 56.366 54.840 0.187 0.000 0.759 458 L CB -0.483 41.745 42.059 0.282 0.000 0.903 458 L HN 0.306 nan 8.230 nan 0.000 0.435 459 H N 0.201 119.336 119.070 0.109 0.000 2.307 459 H HA -0.154 4.406 4.556 0.005 0.000 0.303 459 H C 1.883 177.236 175.328 0.041 0.000 1.073 459 H CA 1.860 57.955 56.048 0.078 0.000 1.338 459 H CB 0.122 29.927 29.762 0.073 0.000 1.389 459 H HN 0.173 nan 8.280 nan 0.000 0.503 460 D N 0.496 120.968 120.400 0.120 0.000 2.182 460 D HA -0.132 4.511 4.640 0.006 0.000 0.201 460 D C 1.453 177.742 176.300 -0.018 0.000 0.986 460 D CA 1.187 55.214 54.000 0.044 0.000 0.847 460 D CB -0.142 40.709 40.800 0.085 0.000 0.942 460 D HN 0.641 nan 8.370 nan 0.000 0.467 461 E N -0.009 120.184 120.200 -0.012 0.000 2.489 461 E HA 0.231 4.584 4.350 0.006 0.000 0.193 461 E C 0.658 177.211 176.600 -0.079 0.000 1.057 461 E CA 0.359 56.738 56.400 -0.035 0.000 0.866 461 E CB 0.294 29.980 29.700 -0.022 0.000 0.916 461 E HN 0.129 nan 8.360 nan 0.000 0.500 462 A N 1.002 123.754 122.820 -0.113 0.000 2.640 462 A HA -0.212 4.111 4.320 0.006 0.000 0.300 462 A C 1.499 178.993 177.584 -0.150 0.000 1.499 462 A CA 0.620 52.567 52.037 -0.149 0.000 0.759 462 A CB -2.378 16.528 19.000 -0.157 0.000 1.048 462 A HN 0.190 nan 8.150 nan 0.000 0.450 463 V N -1.905 117.901 119.914 -0.181 0.000 2.407 463 V HA -0.136 3.987 4.120 0.006 0.000 0.248 463 V C 1.271 177.041 176.094 -0.540 0.000 1.055 463 V CA 2.139 64.205 62.300 -0.391 0.000 1.049 463 V CB -0.622 30.881 31.823 -0.533 0.000 0.662 463 V HN 0.676 nan 8.190 nan 0.000 0.455 464 Y N -1.638 118.640 120.300 -0.037 0.000 2.528 464 Y HA 0.633 5.187 4.550 0.006 0.000 0.335 464 Y C -0.125 175.724 175.900 -0.086 0.000 1.093 464 Y CA -1.034 57.041 58.100 -0.041 0.000 1.134 464 Y CB 1.565 40.004 38.460 -0.034 0.000 1.253 464 Y HN -0.134 nan 8.280 nan 0.000 0.478 465 L N 4.709 125.978 121.223 0.077 0.000 2.387 465 L HA 0.501 4.844 4.340 0.006 0.000 0.259 465 L C -2.759 174.099 176.870 -0.020 0.000 1.050 465 L CA -2.072 52.759 54.840 -0.014 0.000 0.922 465 L CB 0.976 43.000 42.059 -0.059 0.000 1.280 465 L HN 0.365 nan 8.230 nan 0.000 0.449 466 P HA 0.125 nan 4.420 nan 0.000 0.268 466 P C 0.275 177.492 177.300 -0.137 0.000 1.204 466 P CA 0.344 63.380 63.100 -0.108 0.000 0.768 466 P CB 1.190 32.822 31.700 -0.113 0.000 0.842 467 I N 0.182 120.653 120.570 -0.165 0.000 3.345 467 I HA 0.103 4.276 4.170 0.006 0.000 0.258 467 I C 0.838 176.814 176.117 -0.235 0.000 1.134 467 I CA 0.685 61.897 61.300 -0.147 0.000 1.457 467 I CB 0.262 38.224 38.000 -0.064 0.000 1.425 467 I HN 0.299 nan 8.210 nan 0.000 0.461 468 S N -0.995 114.524 115.700 -0.300 0.000 2.537 468 S HA 0.509 4.983 4.470 0.006 0.000 0.270 468 S C -1.770 172.591 174.600 -0.398 0.000 1.142 468 S CA -0.449 57.555 58.200 -0.326 0.000 0.870 468 S CB 0.929 64.030 63.200 -0.165 0.000 1.112 468 S HN 0.062 nan 8.310 nan 0.000 0.466 469 Y N 3.428 123.691 120.300 -0.062 0.000 2.335 469 Y HA 0.538 5.091 4.550 0.005 0.000 0.339 469 Y C 0.501 176.357 175.900 -0.074 0.000 0.987 469 Y CA -1.088 56.971 58.100 -0.069 0.000 1.140 469 Y CB 0.535 38.962 38.460 -0.054 0.000 1.173 469 Y HN 0.649 nan 8.280 nan 0.000 0.486 470 I N -0.759 119.843 120.570 0.054 0.000 2.707 470 I HA 0.823 4.997 4.170 0.006 0.000 0.309 470 I C -0.143 175.943 176.117 -0.053 0.000 1.001 470 I CA -0.577 60.707 61.300 -0.028 0.000 1.129 470 I CB 1.899 39.860 38.000 -0.066 0.000 1.308 470 I HN 0.311 nan 8.210 nan 0.000 0.466 471 S N 3.652 119.288 115.700 -0.107 0.000 2.664 471 S HA 0.643 5.117 4.470 0.006 0.000 0.304 471 S C -0.343 174.130 174.600 -0.211 0.000 1.099 471 S CA -0.674 57.430 58.200 -0.160 0.000 1.003 471 S CB 1.396 64.494 63.200 -0.170 0.000 1.092 471 S HN 0.722 nan 8.310 nan 0.000 0.525 472 M N 2.907 122.341 119.600 -0.277 0.000 2.233 472 M HA 0.393 4.876 4.480 0.006 0.000 0.350 472 M C -0.468 175.630 176.300 -0.337 0.000 1.176 472 M CA 0.243 55.352 55.300 -0.319 0.000 1.150 472 M CB 0.262 32.624 32.600 -0.396 0.000 1.530 472 M HN 0.703 nan 8.290 nan 0.000 0.459 473 M N 2.917 122.310 119.600 -0.346 0.000 2.591 473 M HA 0.828 5.312 4.480 0.006 0.000 0.306 473 M C -1.659 174.489 176.300 -0.255 0.000 1.190 473 M CA -1.012 54.087 55.300 -0.335 0.000 0.889 473 M CB 1.727 33.949 32.600 -0.630 0.000 1.728 473 M HN 0.354 nan 8.290 nan 0.000 0.458 474 V N 2.094 121.961 119.914 -0.079 0.000 2.709 474 V HA 0.709 4.833 4.120 0.006 0.000 0.308 474 V C -0.797 175.326 176.094 0.048 0.000 1.062 474 V CA -0.693 61.586 62.300 -0.035 0.000 0.901 474 V CB 2.201 34.013 31.823 -0.019 0.000 1.003 474 V HN 0.791 nan 8.190 nan 0.000 0.425 475 V N 3.434 123.313 119.914 -0.058 0.000 2.531 475 V HA 0.818 4.942 4.120 0.006 0.000 0.301 475 V C -0.268 175.630 176.094 -0.327 0.000 1.034 475 V CA -0.310 61.827 62.300 -0.272 0.000 0.865 475 V CB 2.040 33.561 31.823 -0.503 0.000 0.995 475 V HN 1.056 nan 8.190 nan 0.000 0.424 476 S N 3.188 118.821 115.700 -0.111 0.000 2.556 476 S HA 0.620 5.093 4.470 0.006 0.000 0.271 476 S C -0.981 173.884 174.600 0.443 0.000 1.135 476 S CA -1.217 57.101 58.200 0.196 0.000 0.858 476 S CB 1.804 65.137 63.200 0.222 0.000 1.114 476 S HN 0.538 nan 8.310 nan 0.000 0.468 477 K N 1.637 122.303 120.400 0.444 0.000 2.447 477 K HA 0.139 4.462 4.320 0.006 0.000 0.281 477 K C -1.790 174.910 176.600 0.166 0.000 1.031 477 K CA -1.495 54.955 56.287 0.271 0.000 1.019 477 K CB 0.184 32.764 32.500 0.135 0.000 0.918 477 K HN 0.358 nan 8.250 nan 0.000 0.476 478 P HA -0.274 nan 4.420 nan 0.000 0.217 478 P C 0.948 178.231 177.300 -0.028 0.000 1.148 478 P CA 1.344 64.460 63.100 0.028 0.000 0.834 478 P CB 0.108 31.813 31.700 0.008 0.000 0.783 479 E N -0.012 120.186 120.200 -0.003 0.000 2.409 479 E HA -0.134 4.219 4.350 0.006 0.000 0.198 479 E C 1.585 178.179 176.600 -0.011 0.000 1.024 479 E CA 0.885 57.277 56.400 -0.014 0.000 0.861 479 E CB -0.988 28.707 29.700 -0.008 0.000 0.788 479 E HN 0.314 nan 8.360 nan 0.000 0.521 480 L N 0.570 121.796 121.223 0.006 0.000 2.492 480 L HA 0.129 4.472 4.340 0.006 0.000 0.223 480 L C 1.391 178.247 176.870 -0.023 0.000 1.132 480 L CA 0.467 55.314 54.840 0.013 0.000 0.850 480 L CB -0.565 41.526 42.059 0.052 0.000 0.966 480 L HN 0.365 nan 8.230 nan 0.000 0.454 481 G N 0.711 109.462 108.800 -0.083 0.000 2.642 481 G HA2 -0.342 3.621 3.960 0.006 0.000 0.231 481 G HA3 -0.342 3.621 3.960 0.006 0.000 0.231 481 G C -0.282 174.509 174.900 -0.183 0.000 1.338 481 G CA -0.149 44.865 45.100 -0.143 0.000 0.883 481 G HN 0.375 nan 8.290 nan 0.000 0.570 482 N N 0.213 118.833 118.700 -0.133 0.000 2.483 482 N HA 0.373 5.116 4.740 0.006 0.000 0.264 482 N C 0.337 175.838 175.510 -0.016 0.000 1.197 482 N CA -0.259 52.766 53.050 -0.042 0.000 0.927 482 N CB 0.173 38.648 38.487 -0.020 0.000 1.065 482 N HN 0.542 nan 8.380 nan 0.000 0.461 483 I N 5.483 126.058 120.570 0.008 0.000 2.321 483 I HA 0.344 4.517 4.170 0.006 0.000 0.291 483 I C -1.986 173.996 176.117 -0.225 0.000 0.998 483 I CA -2.339 58.935 61.300 -0.044 0.000 1.227 483 I CB 0.765 38.791 38.000 0.043 0.000 1.368 483 I HN 0.511 nan 8.210 nan 0.000 0.466 484 P HA 0.283 nan 4.420 nan 0.000 0.278 484 P C -1.355 175.763 177.300 -0.303 0.000 1.258 484 P CA -0.262 62.664 63.100 -0.290 0.000 0.811 484 P CB 0.673 32.313 31.700 -0.099 0.000 1.063 485 Y N -0.515 119.860 120.300 0.125 0.000 2.342 485 Y HA 0.516 5.068 4.550 0.004 0.000 0.334 485 Y C 1.034 176.999 175.900 0.109 0.000 1.067 485 Y CA -1.175 57.023 58.100 0.164 0.000 1.128 485 Y CB 1.165 39.686 38.460 0.101 0.000 1.200 485 Y HN 0.370 nan 8.280 nan 0.000 0.464 486 A N 4.643 127.623 122.820 0.267 0.000 2.388 486 A HA 0.279 4.602 4.320 0.006 0.000 0.257 486 A C -1.384 176.314 177.584 0.191 0.000 1.095 486 A CA -1.339 50.793 52.037 0.159 0.000 0.791 486 A CB 0.067 19.126 19.000 0.098 0.000 1.029 486 A HN 0.658 nan 8.150 nan 0.000 0.489 487 P HA -0.118 nan 4.420 nan 0.000 0.216 487 P C 0.331 177.811 177.300 0.301 0.000 1.153 487 P CA 1.121 64.350 63.100 0.215 0.000 0.858 487 P CB -0.133 31.660 31.700 0.155 0.000 0.789 488 I N 0.131 120.857 120.570 0.260 0.000 2.471 488 I HA 0.063 4.236 4.170 0.006 0.000 0.286 488 I C 1.857 178.086 176.117 0.186 0.000 1.079 488 I CA -0.385 61.024 61.300 0.180 0.000 1.398 488 I CB 1.093 39.163 38.000 0.117 0.000 1.403 488 I HN -0.092 nan 8.210 nan 0.000 0.530 489 A N 4.721 127.658 122.820 0.195 0.000 1.948 489 A HA -0.212 4.112 4.320 0.006 0.000 0.220 489 A C 2.122 179.827 177.584 0.202 0.000 1.177 489 A CA 2.474 54.623 52.037 0.187 0.000 0.636 489 A CB -0.877 18.232 19.000 0.182 0.000 0.815 489 A HN 0.826 nan 8.150 nan 0.000 0.449 490 T N -2.145 112.534 114.554 0.208 0.000 3.129 490 T HA 0.193 4.546 4.350 0.006 0.000 0.251 490 T C 0.435 175.245 174.700 0.184 0.000 1.117 490 T CA 0.216 62.438 62.100 0.203 0.000 1.034 490 T CB -0.116 68.860 68.868 0.181 0.000 0.968 490 T HN 0.568 nan 8.240 nan 0.000 0.526 491 E N 0.758 121.046 120.200 0.147 0.000 2.283 491 E HA 0.606 4.960 4.350 0.006 0.000 0.267 491 E C -0.764 175.808 176.600 -0.047 0.000 1.045 491 E CA -0.757 55.691 56.400 0.081 0.000 0.884 491 E CB 1.563 31.305 29.700 0.070 0.000 1.106 491 E HN 0.375 nan 8.360 nan 0.000 0.408 492 I N 2.630 123.068 120.570 -0.221 0.000 2.439 492 I HA 0.216 4.390 4.170 0.006 0.000 0.285 492 I C -2.184 173.548 176.117 -0.641 0.000 1.021 492 I CA -2.172 58.680 61.300 -0.746 0.000 1.091 492 I CB 1.967 39.206 38.000 -1.269 0.000 1.242 492 I HN 0.249 nan 8.210 nan 0.000 0.439 493 P HA 0.182 nan 4.420 nan 0.000 0.220 493 P C 0.638 177.823 177.300 -0.192 0.000 1.806 493 P CA -0.179 62.792 63.100 -0.216 0.000 0.976 493 P CB -0.339 31.297 31.700 -0.106 0.000 1.952 494 F N 1.652 121.554 119.950 -0.080 0.000 2.192 494 F HA -0.202 4.329 4.527 0.006 0.000 0.301 494 F C 2.318 178.248 175.800 0.217 0.000 1.079 494 F CA 1.200 59.165 58.000 -0.058 0.000 1.303 494 F CB -0.550 38.243 39.000 -0.345 0.000 1.024 494 F HN 0.191 nan 8.300 nan 0.000 0.494 495 E N 0.941 121.460 120.200 0.531 0.000 2.516 495 E HA -0.183 4.170 4.350 0.006 0.000 0.199 495 E C 1.094 177.805 176.600 0.184 0.000 1.069 495 E CA 0.827 57.467 56.400 0.400 0.000 0.876 495 E CB -0.424 29.384 29.700 0.180 0.000 0.843 495 E HN 0.555 nan 8.360 nan 0.000 0.530 496 Q N 0.084 119.970 119.800 0.142 0.000 2.189 496 Q HA 0.345 4.688 4.340 0.006 0.000 0.223 496 Q C 0.237 176.274 176.000 0.063 0.000 0.828 496 Q CA -0.263 55.585 55.803 0.075 0.000 0.967 496 Q CB 0.929 29.690 28.738 0.039 0.000 1.139 496 Q HN 0.261 nan 8.270 nan 0.000 0.497 497 I N 2.433 123.058 120.570 0.092 0.000 2.575 497 I HA 0.072 4.245 4.170 0.006 0.000 0.285 497 I C -0.062 176.104 176.117 0.082 0.000 1.085 497 I CA 0.236 61.582 61.300 0.077 0.000 1.403 497 I CB 0.572 38.632 38.000 0.099 0.000 1.409 497 I HN -0.152 nan 8.210 nan 0.000 0.557 498 K N 7.153 127.585 120.400 0.052 0.000 2.463 498 K HA 0.492 4.815 4.320 0.006 0.000 0.255 498 K C -2.570 174.049 176.600 0.032 0.000 0.942 498 K CA -1.637 54.676 56.287 0.044 0.000 0.814 498 K CB 1.922 34.440 32.500 0.029 0.000 1.122 498 K HN 0.318 nan 8.250 nan 0.000 0.425 499 P HA 0.000 nan 4.420 nan 0.000 0.216 499 P CA 0.000 63.114 63.100 0.023 0.000 0.800 499 P CB 0.000 31.715 31.700 0.026 0.000 0.726