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 3mvx_1_A 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 0.000 177.304 177.300 0.007 0.000 1.155 3 P CA 0.000 63.098 63.100 -0.003 0.000 0.800 3 P CB 0.000 31.699 31.700 -0.002 0.000 0.726 4 D N 1.337 121.745 120.400 0.013 0.000 2.427 4 D HA 0.153 4.821 4.640 0.047 0.000 0.224 4 D C -0.068 176.250 176.300 0.030 0.000 1.157 4 D CA 0.072 54.090 54.000 0.029 0.000 0.828 4 D CB 0.287 41.108 40.800 0.034 0.000 0.974 4 D HN 0.402 nan 8.370 nan 0.000 0.498 5 E N 0.755 120.959 120.200 0.006 0.000 2.210 5 E HA 0.546 4.924 4.350 0.047 0.000 0.266 5 E C -0.098 176.478 176.600 -0.041 0.000 0.883 5 E CA -0.932 55.459 56.400 -0.015 0.000 0.761 5 E CB 2.623 32.309 29.700 -0.023 0.000 1.156 5 E HN 0.290 nan 8.360 nan 0.000 0.412 6 I N -1.519 119.001 120.570 -0.083 0.000 2.740 6 I HA 0.631 4.830 4.170 0.047 0.000 0.303 6 I C -0.636 175.378 176.117 -0.171 0.000 1.044 6 I CA -0.688 60.549 61.300 -0.104 0.000 1.064 6 I CB 2.449 40.395 38.000 -0.090 0.000 1.249 6 I HN 0.188 nan 8.210 nan 0.000 0.433 7 T N 2.706 117.176 114.554 -0.139 0.000 2.829 7 T HA 0.584 4.962 4.350 0.047 0.000 0.280 7 T C -0.272 174.340 174.700 -0.145 0.000 0.999 7 T CA -0.357 61.648 62.100 -0.159 0.000 0.983 7 T CB 1.783 70.592 68.868 -0.097 0.000 0.968 7 T HN 0.888 nan 8.240 nan 0.000 0.446 8 T N 0.719 115.137 114.554 -0.226 0.000 2.590 8 T HA 0.860 5.239 4.350 0.047 0.000 0.282 8 T C -1.721 172.974 174.700 -0.009 0.000 0.989 8 T CA -0.261 61.764 62.100 -0.125 0.000 1.091 8 T CB 1.274 70.002 68.868 -0.233 0.000 1.460 8 T HN 0.859 nan 8.240 nan 0.000 0.499 9 A N 0.111 123.020 122.820 0.149 0.000 2.587 9 A HA 0.758 5.106 4.320 0.047 0.000 0.293 9 A C -2.024 175.873 177.584 0.522 0.000 1.087 9 A CA -0.712 51.500 52.037 0.293 0.000 0.692 9 A CB 1.411 20.526 19.000 0.192 0.000 1.291 9 A HN 0.740 nan 8.150 nan 0.000 0.407 10 W N 1.014 122.456 121.300 0.237 0.000 3.213 10 W HA 0.417 5.106 4.660 0.047 0.000 0.318 10 W C -2.763 173.848 176.519 0.155 0.000 1.248 10 W CA -1.736 55.734 57.345 0.208 0.000 1.187 10 W CB 2.303 31.945 29.460 0.304 0.000 1.403 10 W HN 0.499 nan 8.180 nan 0.000 0.556 11 P HA -0.089 nan 4.420 nan 0.000 0.225 11 P C 0.195 177.499 177.300 0.005 0.000 1.156 11 P CA 1.312 64.304 63.100 -0.179 0.000 0.787 11 P CB 0.320 31.829 31.700 -0.317 0.000 0.802 12 V N -5.270 114.732 119.914 0.147 0.000 3.160 12 V HA 0.495 4.643 4.120 0.047 0.000 0.310 12 V C -0.478 175.818 176.094 0.337 0.000 1.181 12 V CA -1.601 60.828 62.300 0.214 0.000 1.047 12 V CB 1.258 33.190 31.823 0.182 0.000 1.068 12 V HN -0.281 nan 8.190 nan 0.000 0.441 13 N N 0.234 119.054 118.700 0.200 0.000 2.344 13 N HA 0.267 5.036 4.740 0.047 0.000 0.236 13 N C 1.225 176.810 175.510 0.125 0.000 1.279 13 N CA 0.427 53.566 53.050 0.149 0.000 0.882 13 N CB 1.070 39.590 38.487 0.055 0.000 1.110 13 N HN 0.919 nan 8.380 nan 0.000 0.436 14 V N -1.424 118.500 119.914 0.017 0.000 3.141 14 V HA 0.237 4.386 4.120 0.047 0.000 0.265 14 V C 1.063 177.095 176.094 -0.104 0.000 1.126 14 V CA 0.809 63.031 62.300 -0.130 0.000 1.141 14 V CB -1.704 29.988 31.823 -0.219 0.000 0.743 14 V HN 0.911 nan 8.190 nan 0.000 0.492 15 G N 0.351 109.123 108.800 -0.047 0.000 2.685 15 G HA2 -0.115 3.874 3.960 0.047 0.000 0.387 15 G HA3 -0.115 3.874 3.960 0.047 0.000 0.387 15 G C -1.565 173.302 174.900 -0.055 0.000 1.324 15 G CA -0.215 44.859 45.100 -0.043 0.000 0.878 15 G HN 0.300 nan 8.290 nan 0.000 0.527 16 P HA 0.131 nan 4.420 nan 0.000 0.226 16 P C 1.215 178.501 177.300 -0.025 0.000 1.153 16 P CA 1.219 64.294 63.100 -0.041 0.000 0.777 16 P CB -0.091 31.586 31.700 -0.038 0.000 0.794 17 L N -2.188 119.023 121.223 -0.020 0.000 3.548 17 L HA -0.183 4.186 4.340 0.047 0.000 0.443 17 L C 0.194 177.106 176.870 0.070 0.000 1.286 17 L CA -0.318 54.556 54.840 0.056 0.000 0.863 17 L CB -2.508 39.618 42.059 0.113 0.000 1.734 17 L HN 0.197 nan 8.230 nan 0.000 0.873 18 N N 2.587 121.243 118.700 -0.073 0.000 2.442 18 N HA 0.171 4.940 4.740 0.047 0.000 0.265 18 N C -0.897 174.389 175.510 -0.373 0.000 1.138 18 N CA -1.550 51.377 53.050 -0.205 0.000 0.956 18 N CB 1.242 39.626 38.487 -0.172 0.000 1.067 18 N HN 0.089 nan 8.380 nan 0.000 0.474 19 P HA -0.071 nan 4.420 nan 0.000 0.226 19 P C -0.054 176.939 177.300 -0.512 0.000 1.153 19 P CA 1.355 63.925 63.100 -0.883 0.000 0.777 19 P CB 0.091 30.874 31.700 -1.528 0.000 0.794 20 H N -2.031 116.793 119.070 -0.410 0.000 2.594 20 H HA 0.344 4.929 4.556 0.047 0.000 0.279 20 H C 0.912 176.064 175.328 -0.294 0.000 1.042 20 H CA -0.541 55.287 56.048 -0.367 0.000 1.177 20 H CB 0.445 30.026 29.762 -0.301 0.000 1.524 20 H HN 0.069 nan 8.280 nan 0.000 0.537 21 L N -0.565 120.501 121.223 -0.262 0.000 2.230 21 L HA 0.388 4.756 4.340 0.047 0.000 0.255 21 L C -0.744 175.837 176.870 -0.481 0.000 1.039 21 L CA -1.169 53.517 54.840 -0.256 0.000 0.846 21 L CB 1.413 43.431 42.059 -0.068 0.000 1.419 21 L HN 0.052 nan 8.230 nan 0.000 0.435 22 Y N -1.254 119.030 120.300 -0.028 0.000 3.042 22 Y HA 0.276 4.854 4.550 0.048 0.000 0.339 22 Y C 0.778 176.640 175.900 -0.063 0.000 1.299 22 Y CA -0.446 57.618 58.100 -0.059 0.000 1.059 22 Y CB 0.138 38.546 38.460 -0.086 0.000 1.361 22 Y HN 0.359 nan 8.280 nan 0.000 0.755 23 T N 3.576 118.194 114.554 0.107 0.000 2.933 23 T HA 0.020 4.398 4.350 0.047 0.000 0.306 23 T C -1.508 173.214 174.700 0.036 0.000 1.045 23 T CA -0.868 61.260 62.100 0.045 0.000 1.143 23 T CB 0.127 69.013 68.868 0.031 0.000 1.003 23 T HN 0.424 nan 8.240 nan 0.000 0.540 24 P HA 0.091 nan 4.420 nan 0.000 0.255 24 P C -0.088 177.216 177.300 0.007 0.000 1.248 24 P CA -0.146 62.970 63.100 0.026 0.000 0.807 24 P CB 0.191 31.904 31.700 0.021 0.000 1.150 25 N N 2.020 120.705 118.700 -0.025 0.000 2.458 25 N HA 0.030 4.798 4.740 0.047 0.000 0.258 25 N C 0.294 175.757 175.510 -0.078 0.000 1.219 25 N CA 0.441 53.448 53.050 -0.072 0.000 0.902 25 N CB 0.546 38.970 38.487 -0.106 0.000 1.076 25 N HN 0.174 nan 8.380 nan 0.000 0.455 26 Q N 2.296 122.000 119.800 -0.161 0.000 2.278 26 Q HA 0.239 4.607 4.340 0.047 0.000 0.257 26 Q C 1.165 176.969 176.000 -0.326 0.000 0.928 26 Q CA -0.290 55.399 55.803 -0.191 0.000 0.932 26 Q CB 1.651 30.204 28.738 -0.308 0.000 1.221 26 Q HN 0.558 nan 8.270 nan 0.000 0.434 27 M N 1.451 120.972 119.600 -0.132 0.000 2.202 27 M HA -0.164 4.344 4.480 0.047 0.000 0.262 27 M C 1.481 177.702 176.300 -0.133 0.000 1.063 27 M CA 1.750 56.995 55.300 -0.092 0.000 1.097 27 M CB -0.371 32.236 32.600 0.012 0.000 1.382 27 M HN 0.625 nan 8.290 nan 0.000 0.413 28 F N -0.499 119.344 119.950 -0.178 0.000 2.367 28 F HA 0.253 4.808 4.527 0.047 0.000 0.298 28 F C 2.184 177.819 175.800 -0.275 0.000 1.094 28 F CA 0.705 58.566 58.000 -0.231 0.000 1.409 28 F CB -0.845 37.928 39.000 -0.378 0.000 1.064 28 F HN -0.041 nan 8.300 nan 0.000 0.528 29 A N 0.633 122.534 122.820 -1.531 0.000 1.903 29 A HA -0.057 4.291 4.320 0.047 0.000 0.213 29 A C 2.205 179.530 177.584 -0.431 0.000 1.185 29 A CA 0.990 52.332 52.037 -1.158 0.000 0.628 29 A CB -0.828 17.423 19.000 -1.248 0.000 0.830 29 A HN 0.504 nan 8.150 nan 0.000 0.446 30 Q N 0.029 119.656 119.800 -0.287 0.000 2.133 30 Q HA -0.168 4.200 4.340 0.047 0.000 0.208 30 Q C 2.237 178.289 176.000 0.087 0.000 0.991 30 Q CA 1.962 57.778 55.803 0.020 0.000 0.867 30 Q CB -0.258 28.476 28.738 -0.008 0.000 0.911 30 Q HN 0.592 nan 8.270 nan 0.000 0.417 31 S N -0.048 115.647 115.700 -0.008 0.000 2.481 31 S HA -0.024 4.475 4.470 0.047 0.000 0.231 31 S C 1.703 176.349 174.600 0.077 0.000 0.996 31 S CA 0.740 58.973 58.200 0.055 0.000 0.942 31 S CB -0.008 63.220 63.200 0.048 0.000 0.768 31 S HN 0.317 nan 8.310 nan 0.000 0.520 32 M N -0.028 119.578 119.600 0.011 0.000 2.236 32 M HA 0.001 4.510 4.480 0.047 0.000 0.266 32 M C 1.788 178.184 176.300 0.160 0.000 1.070 32 M CA 1.072 56.451 55.300 0.132 0.000 1.137 32 M CB -0.107 32.383 32.600 -0.182 0.000 1.378 32 M HN 0.154 nan 8.290 nan 0.000 0.426 33 V N -1.724 118.179 119.914 -0.018 0.000 2.672 33 V HA -0.025 4.124 4.120 0.047 0.000 0.242 33 V C 0.251 176.151 176.094 -0.324 0.000 1.059 33 V CA 0.741 62.905 62.300 -0.227 0.000 1.081 33 V CB -0.131 31.377 31.823 -0.525 0.000 0.752 33 V HN 0.209 nan 8.190 nan 0.000 0.472 34 Y N 0.062 120.442 120.300 0.133 0.000 2.457 34 Y HA 0.630 5.209 4.550 0.047 0.000 0.333 34 Y C 0.262 176.266 175.900 0.172 0.000 1.119 34 Y CA -0.810 57.380 58.100 0.149 0.000 1.143 34 Y CB 1.263 39.761 38.460 0.064 0.000 1.230 34 Y HN 0.097 nan 8.280 nan 0.000 0.469 35 E N 3.255 123.697 120.200 0.404 0.000 2.336 35 E HA 0.440 4.818 4.350 0.047 0.000 0.267 35 E C -2.808 174.021 176.600 0.381 0.000 0.906 35 E CA -2.305 54.339 56.400 0.408 0.000 0.781 35 E CB 2.675 32.719 29.700 0.573 0.000 1.261 35 E HN 0.263 nan 8.360 nan 0.000 0.436 36 P HA 0.250 nan 4.420 nan 0.000 0.285 36 P C 0.484 178.009 177.300 0.375 0.000 1.285 36 P CA -0.519 62.752 63.100 0.284 0.000 0.854 36 P CB 1.467 33.233 31.700 0.111 0.000 1.180 37 L N -0.034 121.365 121.223 0.293 0.000 2.083 37 L HA -0.034 4.334 4.340 0.047 0.000 0.209 37 L C 1.220 178.197 176.870 0.178 0.000 1.083 37 L CA 1.565 56.492 54.840 0.145 0.000 0.752 37 L CB -0.533 41.422 42.059 -0.173 0.000 0.899 37 L HN 0.278 nan 8.230 nan 0.000 0.433 38 V N -3.511 116.460 119.914 0.096 0.000 2.925 38 V HA 0.476 4.624 4.120 0.047 0.000 0.311 38 V C -0.702 175.438 176.094 0.076 0.000 1.104 38 V CA -1.111 61.261 62.300 0.120 0.000 0.954 38 V CB 2.222 33.958 31.823 -0.146 0.000 1.022 38 V HN 0.018 nan 8.190 nan 0.000 0.427 39 K N 2.478 122.924 120.400 0.077 0.000 2.244 39 K HA 0.478 4.827 4.320 0.047 0.000 0.260 39 K C -1.295 175.300 176.600 -0.009 0.000 0.951 39 K CA -0.814 55.393 56.287 -0.133 0.000 0.826 39 K CB 1.510 33.682 32.500 -0.545 0.000 1.108 39 K HN 0.856 nan 8.250 nan 0.000 0.433 40 Y N 3.155 123.392 120.300 -0.105 0.000 2.497 40 Y HA 0.028 4.606 4.550 0.047 0.000 0.334 40 Y C -0.351 175.532 175.900 -0.029 0.000 1.199 40 Y CA 0.542 58.615 58.100 -0.045 0.000 1.425 40 Y CB 0.761 39.193 38.460 -0.045 0.000 1.291 40 Y HN 0.503 nan 8.280 nan 0.000 0.562 41 Q N 3.692 123.014 119.800 -0.797 0.000 2.351 41 Q HA 0.494 4.863 4.340 0.047 0.000 0.273 41 Q C 0.668 176.221 176.000 -0.745 0.000 1.077 41 Q CA -0.110 55.378 55.803 -0.524 0.000 0.843 41 Q CB 1.912 30.495 28.738 -0.257 0.000 1.367 41 Q HN 0.879 nan 8.270 nan 0.000 0.449 42 A N 1.432 124.064 122.820 -0.313 0.000 1.978 42 A HA -0.208 4.140 4.320 0.047 0.000 0.220 42 A C 1.217 178.716 177.584 -0.142 0.000 1.170 42 A CA 2.210 54.154 52.037 -0.155 0.000 0.636 42 A CB -0.416 18.564 19.000 -0.034 0.000 0.810 42 A HN 0.784 nan 8.150 nan 0.000 0.448 43 D N -1.754 118.552 120.400 -0.156 0.000 2.378 43 D HA 0.205 4.873 4.640 0.047 0.000 0.227 43 D C 1.183 177.439 176.300 -0.073 0.000 1.012 43 D CA 1.141 55.088 54.000 -0.088 0.000 0.905 43 D CB -0.634 40.135 40.800 -0.053 0.000 0.895 43 D HN 0.849 nan 8.370 nan 0.000 0.532 44 G N -0.180 108.518 108.800 -0.170 0.000 2.175 44 G HA2 -0.272 3.716 3.960 0.047 0.000 0.244 44 G HA3 -0.272 3.716 3.960 0.047 0.000 0.244 44 G C 0.424 175.360 174.900 0.061 0.000 0.982 44 G CA 0.474 45.599 45.100 0.042 0.000 0.641 44 G HN 0.832 nan 8.290 nan 0.000 0.527 45 S N -0.666 114.993 115.700 -0.067 0.000 2.686 45 S HA 0.841 5.339 4.470 0.047 0.000 0.270 45 S C 0.442 175.053 174.600 0.018 0.000 1.194 45 S CA 0.042 58.268 58.200 0.042 0.000 0.990 45 S CB 2.129 65.360 63.200 0.052 0.000 1.029 45 S HN 1.824 nan 8.310 nan 0.000 0.560 46 V N -1.124 118.872 119.914 0.137 0.000 2.919 46 V HA 0.823 4.972 4.120 0.047 0.000 0.316 46 V C -0.285 175.958 176.094 0.248 0.000 1.077 46 V CA -1.247 61.144 62.300 0.152 0.000 0.977 46 V CB 0.880 32.788 31.823 0.142 0.000 1.039 46 V HN 1.075 nan 8.190 nan 0.000 0.441 47 I N -1.305 119.422 120.570 0.261 0.000 2.797 47 I HA 0.774 4.972 4.170 0.047 0.000 0.307 47 I C -2.715 173.729 176.117 0.544 0.000 1.033 47 I CA -2.891 58.632 61.300 0.371 0.000 1.071 47 I CB 1.805 39.982 38.000 0.296 0.000 1.255 47 I HN 0.363 nan 8.210 nan 0.000 0.445 48 P HA -0.045 nan 4.420 nan 0.000 0.265 48 P C -0.931 176.759 177.300 0.650 0.000 1.187 48 P CA 0.316 63.807 63.100 0.652 0.000 0.766 48 P CB 0.506 32.447 31.700 0.403 0.000 0.820 49 W N 2.854 124.320 121.300 0.278 0.000 4.480 49 W HA 0.156 4.845 4.660 0.048 0.000 0.613 49 W C 1.337 177.841 176.519 -0.026 0.000 3.468 49 W CA -0.085 57.402 57.345 0.236 0.000 1.136 49 W CB -0.345 29.268 29.460 0.255 0.000 2.120 49 W HN 0.000 nan 8.180 nan 0.000 0.350 50 L N 1.776 122.993 121.223 -0.010 0.000 2.201 50 L HA 0.045 4.413 4.340 0.047 0.000 0.212 50 L C 1.155 177.993 176.870 -0.054 0.000 1.105 50 L CA 0.731 55.359 54.840 -0.353 0.000 0.775 50 L CB -0.970 40.780 42.059 -0.514 0.000 0.913 50 L HN 0.018 nan 8.230 nan 0.000 0.440 51 A N 0.803 123.721 122.820 0.164 0.000 2.320 51 A HA 0.219 4.568 4.320 0.047 0.000 0.287 51 A C 1.267 179.071 177.584 0.367 0.000 1.181 51 A CA -0.551 51.690 52.037 0.339 0.000 0.831 51 A CB 0.441 19.790 19.000 0.581 0.000 1.102 51 A HN 0.353 nan 8.150 nan 0.000 0.513 52 K N 1.474 122.020 120.400 0.244 0.000 2.228 52 K HA 0.060 4.408 4.320 0.047 0.000 0.202 52 K C 0.424 177.120 176.600 0.160 0.000 1.051 52 K CA 1.284 57.671 56.287 0.167 0.000 0.960 52 K CB -0.127 32.403 32.500 0.051 0.000 0.743 52 K HN 0.801 nan 8.250 nan 0.000 0.458 53 S N -1.044 114.796 115.700 0.233 0.000 2.615 53 S HA 0.586 5.084 4.470 0.047 0.000 0.268 53 S C -1.943 172.779 174.600 0.203 0.000 1.146 53 S CA -1.057 57.108 58.200 -0.058 0.000 0.818 53 S CB 0.519 63.625 63.200 -0.156 0.000 1.111 53 S HN 0.519 nan 8.310 nan 0.000 0.465 54 W N -0.345 120.974 121.300 0.032 0.000 3.146 54 W HA 0.768 5.456 4.660 0.047 0.000 0.319 54 W C -1.101 175.344 176.519 -0.123 0.000 1.258 54 W CA -0.357 56.908 57.345 -0.133 0.000 1.189 54 W CB 0.451 29.649 29.460 -0.436 0.000 1.412 54 W HN 1.090 nan 8.180 nan 0.000 0.567 55 T N -0.969 113.591 114.554 0.011 0.000 2.906 55 T HA 0.780 5.158 4.350 0.047 0.000 0.295 55 T C -1.213 173.346 174.700 -0.235 0.000 1.075 55 T CA -0.751 61.255 62.100 -0.157 0.000 1.005 55 T CB 2.008 70.763 68.868 -0.188 0.000 1.136 55 T HN 1.100 nan 8.240 nan 0.000 0.498 56 H N -1.206 117.593 119.070 -0.450 0.000 2.821 56 H HA 0.769 5.353 4.556 0.048 0.000 0.373 56 H C 0.010 175.064 175.328 -0.457 0.000 1.165 56 H CA -0.735 54.846 56.048 -0.778 0.000 1.154 56 H CB 0.930 29.640 29.762 -1.754 0.000 1.765 56 H HN 0.811 nan 8.280 nan 0.000 0.549 57 S N 0.798 116.359 115.700 -0.233 0.000 2.589 57 S HA 0.003 4.502 4.470 0.047 0.000 0.265 57 S C 0.821 175.411 174.600 -0.016 0.000 1.342 57 S CA -0.417 57.709 58.200 -0.123 0.000 1.005 57 S CB 0.714 63.863 63.200 -0.085 0.000 0.909 57 S HN 0.811 nan 8.310 nan 0.000 0.555 58 E N 1.303 121.482 120.200 -0.034 0.000 2.110 58 E HA -0.178 4.201 4.350 0.047 0.000 0.193 58 E C 1.360 177.971 176.600 0.018 0.000 0.988 58 E CA 1.628 58.029 56.400 0.002 0.000 0.804 58 E CB -0.444 29.244 29.700 -0.019 0.000 0.745 58 E HN 0.942 nan 8.360 nan 0.000 0.458 59 D N -0.609 119.787 120.400 -0.007 0.000 2.363 59 D HA 0.001 4.670 4.640 0.047 0.000 0.226 59 D C 1.303 177.592 176.300 -0.019 0.000 1.020 59 D CA 0.869 54.858 54.000 -0.018 0.000 0.892 59 D CB -0.114 40.672 40.800 -0.024 0.000 0.900 59 D HN 0.205 nan 8.370 nan 0.000 0.531 60 G N 0.421 109.203 108.800 -0.029 0.000 2.162 60 G HA2 -0.379 3.609 3.960 0.047 0.000 0.260 60 G HA3 -0.379 3.609 3.960 0.047 0.000 0.260 60 G C 1.022 175.967 174.900 0.075 0.000 0.976 60 G CA 0.600 45.653 45.100 -0.079 0.000 0.655 60 G HN 0.487 nan 8.290 nan 0.000 0.533 61 K N -0.742 119.678 120.400 0.034 0.000 2.335 61 K HA 0.181 4.530 4.320 0.047 0.000 0.195 61 K C 0.468 177.148 176.600 0.133 0.000 1.058 61 K CA 0.884 57.222 56.287 0.086 0.000 0.988 61 K CB 0.617 33.132 32.500 0.024 0.000 0.880 61 K HN 0.277 nan 8.250 nan 0.000 0.513 62 T N 0.819 115.403 114.554 0.050 0.000 2.786 62 T HA 0.329 4.707 4.350 0.047 0.000 0.283 62 T C -1.408 173.312 174.700 0.032 0.000 0.992 62 T CA -0.531 61.617 62.100 0.080 0.000 0.954 62 T CB 0.708 69.583 68.868 0.012 0.000 0.934 62 T HN 0.055 nan 8.240 nan 0.000 0.440 63 W N 1.851 123.152 121.300 0.003 0.000 2.632 63 W HA 0.539 5.227 4.660 0.047 0.000 0.328 63 W C -0.101 176.424 176.519 0.010 0.000 1.044 63 W CA -0.586 56.778 57.345 0.032 0.000 1.225 63 W CB 1.602 31.157 29.460 0.160 0.000 1.396 63 W HN 0.391 nan 8.180 nan 0.000 0.499 64 T N 3.806 118.421 114.554 0.103 0.000 2.809 64 T HA 0.518 4.896 4.350 0.047 0.000 0.284 64 T C -1.088 173.629 174.700 0.027 0.000 0.992 64 T CA -0.533 61.633 62.100 0.110 0.000 0.957 64 T CB 0.431 69.339 68.868 0.067 0.000 0.942 64 T HN -0.014 nan 8.240 nan 0.000 0.439 65 F N 1.563 121.682 119.950 0.281 0.000 2.443 65 F HA 0.447 5.002 4.527 0.047 0.000 0.335 65 F C 1.075 176.996 175.800 0.201 0.000 1.104 65 F CA -0.785 57.406 58.000 0.318 0.000 1.013 65 F CB 1.595 40.760 39.000 0.275 0.000 1.136 65 F HN 0.324 nan 8.300 nan 0.000 0.470 66 T N 5.141 119.899 114.554 0.340 0.000 2.744 66 T HA 0.488 4.866 4.350 0.047 0.000 0.291 66 T C -0.013 174.816 174.700 0.216 0.000 0.957 66 T CA -0.525 61.696 62.100 0.200 0.000 1.002 66 T CB 0.261 69.196 68.868 0.112 0.000 0.919 66 T HN 0.275 nan 8.240 nan 0.000 0.468 67 L N 3.141 124.451 121.223 0.145 0.000 2.379 67 L HA 0.498 4.866 4.340 0.047 0.000 0.269 67 L C 1.187 178.075 176.870 0.030 0.000 1.084 67 L CA -1.160 53.748 54.840 0.113 0.000 0.802 67 L CB 0.672 42.768 42.059 0.061 0.000 1.175 67 L HN 0.452 nan 8.230 nan 0.000 0.448 68 R N 1.130 121.613 120.500 -0.028 0.000 2.758 68 R HA -0.050 4.318 4.340 0.047 0.000 0.263 68 R C -0.030 176.220 176.300 -0.084 0.000 1.010 68 R CA 0.206 56.232 56.100 -0.124 0.000 1.114 68 R CB 0.256 30.346 30.300 -0.351 0.000 0.985 68 R HN 0.699 nan 8.270 nan 0.000 0.439 69 D N -0.315 120.032 120.400 -0.088 0.000 2.479 69 D HA -0.044 4.625 4.640 0.047 0.000 0.218 69 D C 0.053 176.313 176.300 -0.065 0.000 1.177 69 D CA -0.118 53.842 54.000 -0.065 0.000 0.830 69 D CB 0.251 41.023 40.800 -0.047 0.000 1.014 69 D HN 0.557 nan 8.370 nan 0.000 0.503 70 D N -0.039 120.302 120.400 -0.099 0.000 2.501 70 D HA 0.080 4.749 4.640 0.047 0.000 0.224 70 D C -0.179 176.067 176.300 -0.090 0.000 1.202 70 D CA -0.422 53.534 54.000 -0.075 0.000 0.829 70 D CB 0.158 40.923 40.800 -0.059 0.000 1.023 70 D HN -0.013 nan 8.370 nan 0.000 0.499 71 V N 0.661 120.490 119.914 -0.141 0.000 2.472 71 V HA 0.364 4.513 4.120 0.047 0.000 0.290 71 V C 0.239 176.287 176.094 -0.077 0.000 1.037 71 V CA -0.635 61.551 62.300 -0.190 0.000 0.908 71 V CB 1.954 33.482 31.823 -0.492 0.000 0.985 71 V HN -0.024 nan 8.190 nan 0.000 0.454 72 K N 3.232 123.613 120.400 -0.031 0.000 2.318 72 K HA 0.566 4.915 4.320 0.047 0.000 0.249 72 K C -0.853 175.752 176.600 0.008 0.000 0.942 72 K CA -0.645 55.658 56.287 0.026 0.000 0.808 72 K CB 2.244 34.797 32.500 0.089 0.000 1.189 72 K HN 0.384 nan 8.250 nan 0.000 0.428 73 F N 0.773 120.820 119.950 0.162 0.000 2.539 73 F HA -0.130 4.426 4.527 0.047 0.000 0.340 73 F C 2.121 177.997 175.800 0.126 0.000 1.185 73 F CA 0.495 58.592 58.000 0.162 0.000 1.333 73 F CB 0.556 39.652 39.000 0.161 0.000 1.152 73 F HN 0.639 nan 8.300 nan 0.000 0.602 74 S N 0.221 116.119 115.700 0.330 0.000 2.469 74 S HA -0.204 4.294 4.470 0.047 0.000 0.238 74 S C 1.183 175.877 174.600 0.158 0.000 0.998 74 S CA 1.063 59.380 58.200 0.195 0.000 0.957 74 S CB -0.689 62.599 63.200 0.146 0.000 0.764 74 S HN 0.762 nan 8.310 nan 0.000 0.514 75 N N 0.885 119.695 118.700 0.183 0.000 2.322 75 N HA 0.241 5.010 4.740 0.047 0.000 0.194 75 N C 1.240 176.823 175.510 0.122 0.000 1.126 75 N CA 0.592 53.714 53.050 0.120 0.000 0.845 75 N CB -0.347 38.191 38.487 0.085 0.000 0.976 75 N HN 0.560 nan 8.380 nan 0.000 0.475 76 G N -0.198 108.695 108.800 0.156 0.000 2.225 76 G HA2 -0.309 3.679 3.960 0.047 0.000 0.254 76 G HA3 -0.309 3.679 3.960 0.047 0.000 0.254 76 G C -0.301 174.692 174.900 0.155 0.000 0.988 76 G CA 0.198 45.377 45.100 0.132 0.000 0.625 76 G HN 0.516 nan 8.290 nan 0.000 0.527 77 E N 2.481 122.804 120.200 0.206 0.000 2.392 77 E HA 0.332 4.711 4.350 0.047 0.000 0.264 77 E C -2.032 174.781 176.600 0.355 0.000 1.024 77 E CA -1.130 55.408 56.400 0.229 0.000 0.903 77 E CB 0.826 30.624 29.700 0.163 0.000 0.963 77 E HN 0.283 nan 8.360 nan 0.000 0.432 78 P HA -0.031 nan 4.420 nan 0.000 0.275 78 P C -0.949 176.520 177.300 0.281 0.000 1.227 78 P CA -0.037 63.176 63.100 0.187 0.000 0.781 78 P CB 0.378 32.128 31.700 0.082 0.000 0.906 79 F N 4.402 124.289 119.950 -0.106 0.000 2.420 79 F HA 0.341 4.896 4.527 0.047 0.000 0.352 79 F C -0.095 175.627 175.800 -0.130 0.000 1.108 79 F CA 0.319 58.172 58.000 -0.244 0.000 1.162 79 F CB 0.370 39.001 39.000 -0.615 0.000 1.118 79 F HN 0.335 nan 8.300 nan 0.000 0.510 80 D N 3.550 123.442 120.400 -0.845 0.000 2.759 80 D HA 0.410 5.078 4.640 0.047 0.000 0.321 80 D C 0.097 175.977 176.300 -0.700 0.000 1.267 80 D CA -0.249 53.364 54.000 -0.645 0.000 0.933 80 D CB 0.794 41.437 40.800 -0.261 0.000 1.431 80 D HN 0.470 nan 8.370 nan 0.000 0.504 81 A N -0.351 122.241 122.820 -0.380 0.000 1.969 81 A HA -0.145 4.204 4.320 0.047 0.000 0.218 81 A C 1.628 179.125 177.584 -0.144 0.000 1.169 81 A CA 1.345 53.234 52.037 -0.247 0.000 0.635 81 A CB -0.776 18.165 19.000 -0.099 0.000 0.810 81 A HN 0.571 nan 8.150 nan 0.000 0.445 82 E N 0.082 120.212 120.200 -0.118 0.000 2.077 82 E HA -0.152 4.227 4.350 0.047 0.000 0.193 82 E C 2.352 178.946 176.600 -0.010 0.000 0.989 82 E CA 1.072 57.449 56.400 -0.039 0.000 0.800 82 E CB -0.395 29.285 29.700 -0.033 0.000 0.746 82 E HN 0.605 nan 8.360 nan 0.000 0.452 83 A N 1.889 124.670 122.820 -0.064 0.000 1.908 83 A HA -0.125 4.224 4.320 0.047 0.000 0.218 83 A C 2.460 180.134 177.584 0.150 0.000 1.181 83 A CA 1.928 53.992 52.037 0.045 0.000 0.627 83 A CB -0.594 18.504 19.000 0.163 0.000 0.818 83 A HN 0.287 nan 8.150 nan 0.000 0.445 84 A N -0.214 122.573 122.820 -0.055 0.000 1.873 84 A HA 0.186 4.534 4.320 0.047 0.000 0.215 84 A C 2.508 180.386 177.584 0.490 0.000 1.186 84 A CA 2.037 54.153 52.037 0.131 0.000 0.616 84 A CB -1.030 17.889 19.000 -0.134 0.000 0.823 84 A HN 1.090 nan 8.150 nan 0.000 0.442 85 A N -0.502 122.501 122.820 0.305 0.000 1.972 85 A HA -0.124 4.224 4.320 0.047 0.000 0.219 85 A C 1.898 179.699 177.584 0.360 0.000 1.169 85 A CA 1.681 53.919 52.037 0.334 0.000 0.635 85 A CB -0.354 18.740 19.000 0.156 0.000 0.810 85 A HN 0.450 nan 8.150 nan 0.000 0.446 86 E N 0.288 120.681 120.200 0.322 0.000 2.152 86 E HA -0.133 4.246 4.350 0.047 0.000 0.192 86 E C 1.660 178.586 176.600 0.544 0.000 0.983 86 E CA 1.207 57.836 56.400 0.380 0.000 0.818 86 E CB -0.523 29.332 29.700 0.260 0.000 0.758 86 E HN 0.719 nan 8.360 nan 0.000 0.467 87 N N 0.130 119.172 118.700 0.570 0.000 2.084 87 N HA -0.101 4.668 4.740 0.047 0.000 0.190 87 N C 1.607 177.172 175.510 0.092 0.000 1.030 87 N CA 0.941 54.255 53.050 0.440 0.000 0.849 87 N CB -0.301 38.505 38.487 0.532 0.000 1.012 87 N HN 0.052 nan 8.380 nan 0.000 0.423 88 F N 1.011 121.099 119.950 0.231 0.000 2.126 88 F HA -0.086 4.469 4.527 0.047 0.000 0.299 88 F C 2.508 178.353 175.800 0.075 0.000 1.096 88 F CA 1.052 59.134 58.000 0.136 0.000 1.255 88 F CB -0.261 38.820 39.000 0.135 0.000 0.997 88 F HN -0.001 nan 8.300 nan 0.000 0.479 89 R N 0.636 121.311 120.500 0.292 0.000 2.091 89 R HA -0.187 4.182 4.340 0.047 0.000 0.238 89 R C 2.329 178.680 176.300 0.084 0.000 1.136 89 R CA 1.430 57.639 56.100 0.183 0.000 0.959 89 R CB -0.550 29.867 30.300 0.196 0.000 0.856 89 R HN 0.266 nan 8.270 nan 0.000 0.437 90 A N 0.303 123.138 122.820 0.026 0.000 1.902 90 A HA -0.109 4.240 4.320 0.047 0.000 0.217 90 A C 2.280 179.749 177.584 -0.191 0.000 1.181 90 A CA 1.663 53.608 52.037 -0.152 0.000 0.623 90 A CB -0.531 18.213 19.000 -0.426 0.000 0.818 90 A HN 0.246 nan 8.150 nan 0.000 0.443 91 V N -0.109 119.605 119.914 -0.335 0.000 2.358 91 V HA -0.203 3.946 4.120 0.047 0.000 0.246 91 V C 2.395 178.468 176.094 -0.034 0.000 1.047 91 V CA 1.879 63.969 62.300 -0.350 0.000 1.035 91 V CB -0.614 30.846 31.823 -0.606 0.000 0.658 91 V HN 0.564 nan 8.190 nan 0.000 0.452 92 L N -0.412 120.838 121.223 0.045 0.000 2.492 92 L HA -0.005 4.364 4.340 0.047 0.000 0.223 92 L C 1.794 178.715 176.870 0.084 0.000 1.132 92 L CA 0.508 55.417 54.840 0.114 0.000 0.850 92 L CB -0.488 41.657 42.059 0.144 0.000 0.966 92 L HN 0.291 nan 8.230 nan 0.000 0.454 93 D N 0.147 120.580 120.400 0.054 0.000 2.378 93 D HA -0.130 4.538 4.640 0.047 0.000 0.222 93 D C 1.051 177.371 176.300 0.033 0.000 0.980 93 D CA 0.906 54.930 54.000 0.039 0.000 0.907 93 D CB -0.080 40.734 40.800 0.023 0.000 0.899 93 D HN 0.150 nan 8.370 nan 0.000 0.527 94 N N 0.060 118.793 118.700 0.056 0.000 2.480 94 N HA 0.071 4.840 4.740 0.047 0.000 0.281 94 N C 1.072 176.603 175.510 0.034 0.000 1.381 94 N CA -0.212 52.855 53.050 0.028 0.000 0.903 94 N CB 0.136 38.637 38.487 0.023 0.000 1.274 94 N HN -0.102 nan 8.380 nan 0.000 0.505 95 R N 0.039 120.591 120.500 0.086 0.000 2.119 95 R HA -0.216 4.153 4.340 0.047 0.000 0.246 95 R C 1.716 178.033 176.300 0.029 0.000 1.146 95 R CA 1.904 58.076 56.100 0.120 0.000 0.962 95 R CB 0.066 30.410 30.300 0.072 0.000 0.863 95 R HN 0.452 nan 8.270 nan 0.000 0.442 96 Q N -0.132 119.654 119.800 -0.023 0.000 2.226 96 Q HA -0.209 4.159 4.340 0.047 0.000 0.204 96 Q C 1.874 177.820 176.000 -0.092 0.000 0.975 96 Q CA 1.436 57.212 55.803 -0.045 0.000 0.866 96 Q CB -0.006 28.709 28.738 -0.038 0.000 0.915 96 Q HN 0.062 nan 8.270 nan 0.000 0.440 97 R N -0.241 120.142 120.500 -0.195 0.000 2.237 97 R HA -0.100 4.269 4.340 0.047 0.000 0.219 97 R C 0.619 176.749 176.300 -0.283 0.000 1.080 97 R CA 1.326 57.258 56.100 -0.280 0.000 0.995 97 R CB -0.100 29.982 30.300 -0.362 0.000 0.875 97 R HN 0.438 nan 8.270 nan 0.000 0.462 98 H N -1.166 117.938 119.070 0.057 0.000 2.505 98 H HA 0.351 4.935 4.556 0.047 0.000 0.286 98 H C 1.212 176.424 175.328 -0.193 0.000 1.072 98 H CA 0.462 56.493 56.048 -0.028 0.000 1.141 98 H CB 0.437 30.131 29.762 -0.114 0.000 1.550 98 H HN 0.245 nan 8.280 nan 0.000 0.547 99 A N 1.974 124.793 122.820 -0.003 0.000 2.032 99 A HA -0.177 4.172 4.320 0.047 0.000 0.221 99 A C 2.148 179.706 177.584 -0.043 0.000 1.165 99 A CA 1.293 53.310 52.037 -0.034 0.000 0.645 99 A CB -1.019 17.973 19.000 -0.013 0.000 0.807 99 A HN 0.719 nan 8.150 nan 0.000 0.453 100 W N -1.396 119.898 121.300 -0.010 0.000 2.421 100 W HA 0.158 4.845 4.660 0.046 0.000 0.270 100 W C 0.168 176.764 176.519 0.127 0.000 1.233 100 W CA 0.275 57.623 57.345 0.006 0.000 1.226 100 W CB -0.753 28.773 29.460 0.111 0.000 1.121 100 W HN 0.270 nan 8.180 nan 0.000 0.579 101 L N 2.634 123.326 121.223 -0.886 0.000 2.276 101 L HA 0.227 4.596 4.340 0.047 0.000 0.286 101 L C 1.287 177.948 176.870 -0.347 0.000 1.024 101 L CA -0.240 54.084 54.840 -0.860 0.000 0.826 101 L CB 1.399 42.530 42.059 -1.547 0.000 1.211 101 L HN -0.135 nan 8.230 nan 0.000 0.422 102 E N 3.524 123.638 120.200 -0.145 0.000 2.204 102 E HA -0.195 4.183 4.350 0.047 0.000 0.194 102 E C 1.550 177.904 176.600 -0.411 0.000 0.989 102 E CA 1.252 57.535 56.400 -0.194 0.000 0.824 102 E CB -0.072 29.597 29.700 -0.051 0.000 0.756 102 E HN 0.675 nan 8.360 nan 0.000 0.477 103 L N 0.260 121.279 121.223 -0.341 0.000 2.131 103 L HA -0.004 4.365 4.340 0.047 0.000 0.210 103 L C 2.076 178.873 176.870 -0.122 0.000 1.092 103 L CA 2.035 56.684 54.840 -0.319 0.000 0.759 103 L CB -0.989 41.079 42.059 0.015 0.000 0.903 103 L HN 0.191 nan 8.230 nan 0.000 0.435 104 A N -0.670 122.148 122.820 -0.004 0.000 2.070 104 A HA -0.159 4.190 4.320 0.047 0.000 0.220 104 A C 1.908 179.487 177.584 -0.009 0.000 1.159 104 A CA 1.671 53.762 52.037 0.089 0.000 0.656 104 A CB -0.600 18.428 19.000 0.047 0.000 0.800 104 A HN 0.655 nan 8.150 nan 0.000 0.453 105 N N -0.789 117.850 118.700 -0.102 0.000 2.392 105 N HA -0.034 4.735 4.740 0.047 0.000 0.177 105 N C 1.390 176.819 175.510 -0.135 0.000 1.066 105 N CA 0.447 53.438 53.050 -0.098 0.000 0.895 105 N CB -0.072 38.354 38.487 -0.102 0.000 0.988 105 N HN 0.472 nan 8.380 nan 0.000 0.457 106 Q N 0.704 120.367 119.800 -0.228 0.000 2.269 106 Q HA 0.171 4.540 4.340 0.047 0.000 0.201 106 Q C 0.717 176.606 176.000 -0.185 0.000 0.946 106 Q CA 0.209 55.860 55.803 -0.253 0.000 0.877 106 Q CB 0.486 28.946 28.738 -0.464 0.000 0.963 106 Q HN 0.381 nan 8.270 nan 0.000 0.472 107 I N 1.567 122.044 120.570 -0.154 0.000 2.505 107 I HA -0.078 4.120 4.170 0.047 0.000 0.287 107 I C 1.224 177.294 176.117 -0.079 0.000 1.104 107 I CA -0.171 61.048 61.300 -0.134 0.000 1.387 107 I CB 0.955 38.887 38.000 -0.113 0.000 1.404 107 I HN -0.154 nan 8.210 nan 0.000 0.528 108 V N 4.597 124.463 119.914 -0.080 0.000 2.795 108 V HA 0.055 4.203 4.120 0.047 0.000 0.243 108 V C 0.249 176.323 176.094 -0.034 0.000 1.069 108 V CA 1.029 63.301 62.300 -0.047 0.000 1.089 108 V CB -0.115 31.681 31.823 -0.045 0.000 0.756 108 V HN 0.848 nan 8.190 nan 0.000 0.471 109 D N -1.857 118.513 120.400 -0.049 0.000 2.717 109 D HA 0.511 5.180 4.640 0.047 0.000 0.223 109 D C -1.598 174.663 176.300 -0.065 0.000 1.240 109 D CA -0.169 53.812 54.000 -0.031 0.000 0.801 109 D CB 2.507 43.297 40.800 -0.017 0.000 1.556 109 D HN -0.137 nan 8.370 nan 0.000 0.462 110 V N 2.648 122.531 119.914 -0.051 0.000 2.623 110 V HA 0.588 4.737 4.120 0.047 0.000 0.304 110 V C -0.812 175.274 176.094 -0.014 0.000 1.054 110 V CA -0.766 61.476 62.300 -0.097 0.000 0.882 110 V CB 1.649 33.341 31.823 -0.218 0.000 1.002 110 V HN 0.684 nan 8.190 nan 0.000 0.424 111 K N 3.036 123.435 120.400 -0.001 0.000 2.502 111 K HA 0.926 5.275 4.320 0.047 0.000 0.257 111 K C -0.764 175.856 176.600 0.033 0.000 0.938 111 K CA -0.765 55.538 56.287 0.026 0.000 0.819 111 K CB 2.586 35.100 32.500 0.024 0.000 1.333 111 K HN 0.704 nan 8.250 nan 0.000 0.434 112 A N 3.409 126.249 122.820 0.033 0.000 2.347 112 A HA 0.304 4.652 4.320 0.047 0.000 0.287 112 A C 0.616 178.212 177.584 0.019 0.000 1.199 112 A CA -0.812 51.239 52.037 0.022 0.000 0.851 112 A CB -0.361 18.643 19.000 0.007 0.000 1.118 112 A HN 0.823 nan 8.150 nan 0.000 0.525 113 L N 2.166 123.403 121.223 0.024 0.000 2.418 113 L HA 0.091 4.460 4.340 0.047 0.000 0.218 113 L C 1.148 178.023 176.870 0.009 0.000 1.125 113 L CA 0.988 55.840 54.840 0.019 0.000 0.835 113 L CB -0.507 41.568 42.059 0.026 0.000 0.953 113 L HN 0.895 nan 8.230 nan 0.000 0.454 114 S N -2.590 113.112 115.700 0.003 0.000 2.694 114 S HA 0.238 4.736 4.470 0.047 0.000 0.273 114 S C 0.155 174.742 174.600 -0.023 0.000 1.180 114 S CA -0.878 57.318 58.200 -0.008 0.000 0.864 114 S CB 1.433 64.630 63.200 -0.005 0.000 1.198 114 S HN -0.113 nan 8.310 nan 0.000 0.499 115 K N 0.543 120.923 120.400 -0.032 0.000 2.283 115 K HA -0.000 4.348 4.320 0.047 0.000 0.202 115 K C 1.312 177.868 176.600 -0.074 0.000 1.048 115 K CA 1.736 57.988 56.287 -0.059 0.000 0.948 115 K CB -0.367 32.101 32.500 -0.053 0.000 0.742 115 K HN 0.800 nan 8.250 nan 0.000 0.458 116 T N -2.256 112.275 114.554 -0.039 0.000 3.040 116 T HA 0.172 4.550 4.350 0.047 0.000 0.266 116 T C 0.129 174.841 174.700 0.020 0.000 1.005 116 T CA -0.429 61.657 62.100 -0.024 0.000 0.906 116 T CB 0.467 69.329 68.868 -0.011 0.000 1.082 116 T HN -0.158 nan 8.240 nan 0.000 0.531 117 E N 1.364 121.580 120.200 0.027 0.000 2.165 117 E HA 0.558 4.936 4.350 0.047 0.000 0.266 117 E C -1.630 175.020 176.600 0.084 0.000 0.889 117 E CA -0.689 55.753 56.400 0.071 0.000 0.756 117 E CB 2.672 32.404 29.700 0.053 0.000 1.131 117 E HN 0.226 nan 8.360 nan 0.000 0.411 118 L N 2.728 124.047 121.223 0.159 0.000 2.349 118 L HA 0.315 4.683 4.340 0.047 0.000 0.278 118 L C -0.728 176.284 176.870 0.236 0.000 0.996 118 L CA -0.314 54.620 54.840 0.157 0.000 0.825 118 L CB 1.745 43.897 42.059 0.154 0.000 1.243 118 L HN 0.412 nan 8.230 nan 0.000 0.412 119 Q N 4.807 124.694 119.800 0.146 0.000 2.307 119 Q HA 0.628 4.997 4.340 0.047 0.000 0.262 119 Q C -1.484 174.578 176.000 0.105 0.000 0.961 119 Q CA -0.471 55.426 55.803 0.156 0.000 0.882 119 Q CB 1.415 30.207 28.738 0.090 0.000 1.264 119 Q HN 0.737 nan 8.270 nan 0.000 0.446 120 I N 3.199 123.877 120.570 0.180 0.000 2.389 120 I HA 0.329 4.527 4.170 0.047 0.000 0.288 120 I C -0.575 175.571 176.117 0.049 0.000 0.999 120 I CA -0.644 60.683 61.300 0.044 0.000 1.129 120 I CB 2.199 40.248 38.000 0.082 0.000 1.288 120 I HN 0.545 nan 8.210 nan 0.000 0.444 121 T N 7.051 121.588 114.554 -0.029 0.000 2.794 121 T HA 0.633 5.012 4.350 0.047 0.000 0.280 121 T C -0.128 174.513 174.700 -0.098 0.000 0.987 121 T CA -0.466 61.619 62.100 -0.025 0.000 0.993 121 T CB 1.257 70.116 68.868 -0.014 0.000 0.939 121 T HN 0.269 nan 8.240 nan 0.000 0.449 122 L N 2.316 123.478 121.223 -0.102 0.000 2.322 122 L HA 0.526 4.895 4.340 0.047 0.000 0.269 122 L C 1.539 178.364 176.870 -0.075 0.000 1.012 122 L CA -1.035 53.717 54.840 -0.146 0.000 0.815 122 L CB 1.375 43.306 42.059 -0.214 0.000 1.295 122 L HN 0.571 nan 8.230 nan 0.000 0.438 123 K N 0.109 120.461 120.400 -0.080 0.000 2.211 123 K HA -0.040 4.308 4.320 0.047 0.000 0.203 123 K C 0.481 177.066 176.600 -0.025 0.000 1.050 123 K CA 0.956 57.214 56.287 -0.048 0.000 0.945 123 K CB 0.192 32.658 32.500 -0.057 0.000 0.732 123 K HN 0.730 nan 8.250 nan 0.000 0.451 124 S N -1.834 113.859 115.700 -0.011 0.000 2.638 124 S HA 0.527 5.025 4.470 0.047 0.000 0.274 124 S C -1.039 173.600 174.600 0.065 0.000 1.157 124 S CA -0.945 57.270 58.200 0.025 0.000 0.826 124 S CB 1.763 64.990 63.200 0.046 0.000 1.139 124 S HN 0.030 nan 8.310 nan 0.000 0.474 125 A N 1.653 124.515 122.820 0.069 0.000 2.899 125 A HA 0.326 4.674 4.320 0.047 0.000 0.287 125 A C -0.459 177.229 177.584 0.174 0.000 1.715 125 A CA -0.115 51.990 52.037 0.115 0.000 1.393 125 A CB -1.540 17.491 19.000 0.052 0.000 1.070 125 A HN 0.857 nan 8.150 nan 0.000 0.587 126 Y N 3.696 124.015 120.300 0.031 0.000 2.585 126 Y HA 0.249 4.828 4.550 0.047 0.000 0.354 126 Y C 1.003 176.939 175.900 0.059 0.000 1.024 126 Y CA -0.761 57.344 58.100 0.007 0.000 1.321 126 Y CB -0.021 38.390 38.460 -0.081 0.000 1.151 126 Y HN 0.718 nan 8.280 nan 0.000 0.525 127 Y N 6.069 126.179 120.300 -0.318 0.000 2.224 127 Y HA 0.076 4.654 4.550 0.047 0.000 0.289 127 Y C -1.340 174.385 175.900 -0.291 0.000 1.146 127 Y CA 0.358 58.341 58.100 -0.194 0.000 1.182 127 Y CB -1.662 36.730 38.460 -0.113 0.000 0.983 127 Y HN 0.397 nan 8.280 nan 0.000 0.524 128 P HA 0.019 nan 4.420 nan 0.000 0.255 128 P C 1.233 178.328 177.300 -0.342 0.000 1.301 128 P CA 0.321 62.861 63.100 -0.933 0.000 0.817 128 P CB -0.712 30.127 31.700 -1.434 0.000 1.259 129 F N 1.042 120.790 119.950 -0.337 0.000 2.045 129 F HA -0.313 4.242 4.527 0.047 0.000 0.297 129 F C 1.695 177.335 175.800 -0.266 0.000 1.114 129 F CA 1.587 59.461 58.000 -0.210 0.000 1.207 129 F CB -0.382 38.322 39.000 -0.493 0.000 0.964 129 F HN -0.190 nan 8.300 nan 0.000 0.486 130 L N -0.197 120.736 121.223 -0.483 0.000 2.056 130 L HA -0.225 4.144 4.340 0.047 0.000 0.207 130 L C 2.563 179.261 176.870 -0.287 0.000 1.078 130 L CA 1.354 55.858 54.840 -0.560 0.000 0.749 130 L CB -0.892 40.950 42.059 -0.363 0.000 0.901 130 L HN 0.288 nan 8.230 nan 0.000 0.433 131 Q N -0.221 119.487 119.800 -0.153 0.000 2.084 131 Q HA -0.196 4.172 4.340 0.047 0.000 0.202 131 Q C 2.172 178.117 176.000 -0.093 0.000 0.978 131 Q CA 1.352 57.110 55.803 -0.074 0.000 0.844 131 Q CB 0.052 28.744 28.738 -0.076 0.000 0.898 131 Q HN 0.514 nan 8.270 nan 0.000 0.426 132 E N 0.508 120.669 120.200 -0.065 0.000 2.072 132 E HA -0.157 4.221 4.350 0.047 0.000 0.191 132 E C 2.071 178.680 176.600 0.015 0.000 0.985 132 E CA 0.728 57.154 56.400 0.044 0.000 0.801 132 E CB -0.113 29.691 29.700 0.174 0.000 0.750 132 E HN 0.387 nan 8.360 nan 0.000 0.452 133 L N 0.612 121.751 121.223 -0.141 0.000 2.261 133 L HA -0.143 4.226 4.340 0.047 0.000 0.216 133 L C 2.324 179.154 176.870 -0.066 0.000 1.114 133 L CA 0.749 55.502 54.840 -0.144 0.000 0.777 133 L CB -0.347 41.452 42.059 -0.434 0.000 0.910 133 L HN 0.089 nan 8.230 nan 0.000 0.440 134 A N -0.578 122.197 122.820 -0.075 0.000 2.208 134 A HA 0.173 4.521 4.320 0.047 0.000 0.209 134 A C 1.135 178.701 177.584 -0.030 0.000 1.161 134 A CA -0.087 51.930 52.037 -0.034 0.000 0.782 134 A CB -0.173 18.831 19.000 0.006 0.000 0.816 134 A HN 0.221 nan 8.150 nan 0.000 0.477 135 L N -0.714 120.490 121.223 -0.032 0.000 2.476 135 L HA 0.107 4.476 4.340 0.047 0.000 0.264 135 L C -1.339 175.550 176.870 0.031 0.000 1.224 135 L CA -1.519 53.306 54.840 -0.025 0.000 0.821 135 L CB 0.197 42.279 42.059 0.039 0.000 1.101 135 L HN 0.020 nan 8.230 nan 0.000 0.488 136 P HA -0.117 nan 4.420 nan 0.000 0.216 136 P C -0.691 176.614 177.300 0.008 0.000 1.150 136 P CA 1.374 64.508 63.100 0.056 0.000 0.837 136 P CB 0.202 31.952 31.700 0.083 0.000 0.786 137 R N -2.827 117.684 120.500 0.018 0.000 2.692 137 R HA 0.379 4.747 4.340 0.047 0.000 0.269 137 R C -2.828 173.426 176.300 -0.077 0.000 1.030 137 R CA -1.596 54.440 56.100 -0.107 0.000 0.882 137 R CB 0.283 30.467 30.300 -0.193 0.000 1.250 137 R HN -0.235 nan 8.270 nan 0.000 0.465 138 P HA 0.182 nan 4.420 nan 0.000 0.267 138 P C -0.314 176.580 177.300 -0.676 0.000 1.289 138 P CA 0.084 62.827 63.100 -0.594 0.000 0.866 138 P CB 0.265 31.402 31.700 -0.939 0.000 1.309 139 F N 0.947 120.672 119.950 -0.375 0.000 2.833 139 F HA 0.234 4.789 4.527 0.047 0.000 0.327 139 F C 1.550 176.893 175.800 -0.763 0.000 1.184 139 F CA -0.583 57.051 58.000 -0.609 0.000 1.328 139 F CB 0.029 38.773 39.000 -0.426 0.000 1.440 139 F HN -0.266 nan 8.300 nan 0.000 0.569 140 R N 0.057 120.202 120.500 -0.592 0.000 2.601 140 R HA 0.598 4.966 4.340 0.047 0.000 0.220 140 R C -1.101 174.501 176.300 -1.163 0.000 1.329 140 R CA -0.695 55.026 56.100 -0.632 0.000 1.043 140 R CB 0.535 30.721 30.300 -0.190 0.000 1.807 140 R HN 0.050 nan 8.270 nan 0.000 0.537 141 F N 0.291 120.382 119.950 0.235 0.000 2.617 141 F HA 0.455 5.011 4.527 0.048 0.000 0.325 141 F C -0.023 176.129 175.800 0.587 0.000 1.179 141 F CA -0.560 57.685 58.000 0.409 0.000 0.965 141 F CB 1.397 40.715 39.000 0.530 0.000 1.232 141 F HN 0.216 nan 8.300 nan 0.000 0.461 142 I N 2.655 123.503 120.570 0.463 0.000 2.498 142 I HA 0.774 4.972 4.170 0.047 0.000 0.301 142 I C 0.067 176.189 176.117 0.008 0.000 0.984 142 I CA -0.736 60.782 61.300 0.364 0.000 1.204 142 I CB 1.387 39.430 38.000 0.072 0.000 1.362 142 I HN 0.749 nan 8.210 nan 0.000 0.471 143 A N 7.813 130.220 122.820 -0.688 0.000 2.548 143 A HA 0.228 4.576 4.320 0.047 0.000 0.247 143 A C -1.996 175.235 177.584 -0.588 0.000 1.067 143 A CA -0.724 50.520 52.037 -1.323 0.000 0.757 143 A CB -0.382 18.038 19.000 -0.966 0.000 0.996 143 A HN 0.670 nan 8.150 nan 0.000 0.504 144 P HA -0.127 nan 4.420 nan 0.000 0.223 144 P C 1.658 178.512 177.300 -0.742 0.000 1.151 144 P CA 1.575 63.983 63.100 -1.154 0.000 0.787 144 P CB 0.083 31.256 31.700 -0.880 0.000 0.788 145 S N -0.921 114.537 115.700 -0.403 0.000 2.465 145 S HA -0.193 4.305 4.470 0.047 0.000 0.241 145 S C 1.611 176.130 174.600 -0.136 0.000 1.000 145 S CA 1.060 59.126 58.200 -0.223 0.000 0.964 145 S CB -0.904 62.205 63.200 -0.152 0.000 0.763 145 S HN 0.144 nan 8.310 nan 0.000 0.512 146 Q N 0.091 119.828 119.800 -0.104 0.000 2.319 146 Q HA 0.391 4.759 4.340 0.047 0.000 0.202 146 Q C 0.015 176.125 176.000 0.182 0.000 0.896 146 Q CA -0.231 55.584 55.803 0.020 0.000 0.942 146 Q CB -0.164 28.582 28.738 0.014 0.000 1.083 146 Q HN 0.659 nan 8.270 nan 0.000 0.510 147 F N 1.597 121.501 119.950 -0.076 0.000 2.539 147 F HA 0.046 4.601 4.527 0.048 0.000 0.340 147 F C 1.077 176.821 175.800 -0.093 0.000 1.185 147 F CA -0.078 57.884 58.000 -0.063 0.000 1.333 147 F CB 0.623 39.599 39.000 -0.039 0.000 1.152 147 F HN -0.328 nan 8.300 nan 0.000 0.602 148 K N 1.789 122.244 120.400 0.092 0.000 2.293 148 K HA 0.086 4.434 4.320 0.047 0.000 0.267 148 K C -0.215 176.381 176.600 -0.008 0.000 1.010 148 K CA -0.634 55.660 56.287 0.010 0.000 0.875 148 K CB 0.976 33.473 32.500 -0.005 0.000 1.106 148 K HN 0.562 nan 8.250 nan 0.000 0.450 149 N N 3.135 121.790 118.700 -0.075 0.000 2.714 149 N HA -0.244 4.524 4.740 0.047 0.000 0.252 149 N C -0.698 174.841 175.510 0.050 0.000 1.014 149 N CA 0.972 53.986 53.050 -0.061 0.000 0.735 149 N CB -1.198 37.310 38.487 0.036 0.000 0.924 149 N HN 0.866 nan 8.380 nan 0.000 0.540 150 H N -2.668 116.519 119.070 0.194 0.000 2.958 150 H HA -0.188 4.396 4.556 0.047 0.000 0.274 150 H C -0.445 175.039 175.328 0.259 0.000 1.184 150 H CA 1.597 57.835 56.048 0.315 0.000 1.143 150 H CB -1.306 28.572 29.762 0.194 0.000 1.297 150 H HN 0.618 nan 8.280 nan 0.000 0.356 151 E N -0.630 119.628 120.200 0.098 0.000 2.413 151 E HA 0.312 4.690 4.350 0.047 0.000 0.277 151 E C 0.934 177.335 176.600 -0.333 0.000 0.958 151 E CA 0.154 56.450 56.400 -0.173 0.000 0.779 151 E CB 1.561 31.233 29.700 -0.046 0.000 1.278 151 E HN 0.180 nan 8.360 nan 0.000 0.456 152 T N -3.035 111.278 114.554 -0.401 0.000 2.985 152 T HA 0.042 4.420 4.350 0.047 0.000 0.254 152 T C 1.698 176.322 174.700 -0.127 0.000 1.021 152 T CA 0.066 61.998 62.100 -0.280 0.000 0.957 152 T CB -0.135 68.574 68.868 -0.266 0.000 1.047 152 T HN 0.509 nan 8.240 nan 0.000 0.511 153 M N 0.778 120.325 119.600 -0.089 0.000 2.476 153 M HA 0.228 4.737 4.480 0.047 0.000 0.262 153 M C 0.716 176.995 176.300 -0.035 0.000 1.079 153 M CA 1.082 56.359 55.300 -0.039 0.000 1.104 153 M CB -0.613 31.974 32.600 -0.021 0.000 1.409 153 M HN -0.040 nan 8.290 nan 0.000 0.467 154 N N 1.595 120.270 118.700 -0.041 0.000 2.235 154 N HA 0.343 5.112 4.740 0.047 0.000 0.209 154 N C 0.386 175.876 175.510 -0.033 0.000 1.122 154 N CA 0.879 53.912 53.050 -0.029 0.000 0.845 154 N CB 1.059 39.534 38.487 -0.019 0.000 1.004 154 N HN 0.622 nan 8.380 nan 0.000 0.499 155 G N 0.879 109.650 108.800 -0.048 0.000 2.459 155 G HA2 0.007 3.996 3.960 0.047 0.000 0.685 155 G HA3 0.007 3.996 3.960 0.047 0.000 0.685 155 G C -0.950 173.918 174.900 -0.052 0.000 1.303 155 G CA -0.704 44.368 45.100 -0.047 0.000 0.907 155 G HN 0.179 nan 8.290 nan 0.000 0.632 156 I N -2.560 117.985 120.570 -0.042 0.000 3.206 156 I HA 0.810 5.008 4.170 0.047 0.000 0.313 156 I C 0.739 176.855 176.117 -0.003 0.000 1.103 156 I CA -1.428 59.861 61.300 -0.018 0.000 0.985 156 I CB 1.758 39.740 38.000 -0.031 0.000 1.240 156 I HN 0.647 nan 8.210 nan 0.000 0.464 157 K N 1.365 121.774 120.400 0.015 0.000 2.849 157 K HA 0.556 4.904 4.320 0.047 0.000 0.175 157 K C 0.400 177.004 176.600 0.008 0.000 1.113 157 K CA 0.075 56.365 56.287 0.006 0.000 1.286 157 K CB -0.271 32.232 32.500 0.005 0.000 1.776 157 K HN 0.721 nan 8.250 nan 0.000 0.472 158 A N 2.608 125.436 122.820 0.012 0.000 2.327 158 A HA 0.281 4.629 4.320 0.047 0.000 0.283 158 A C -2.299 175.315 177.584 0.049 0.000 1.127 158 A CA -1.383 50.664 52.037 0.016 0.000 0.810 158 A CB 0.056 19.061 19.000 0.010 0.000 1.066 158 A HN 0.256 nan 8.150 nan 0.000 0.492 159 P HA 0.176 nan 4.420 nan 0.000 0.231 159 P C -0.816 176.561 177.300 0.128 0.000 1.811 159 P CA 0.038 63.230 63.100 0.153 0.000 1.051 159 P CB -0.189 31.577 31.700 0.110 0.000 1.951 160 I N 2.022 122.694 120.570 0.170 0.000 2.301 160 I HA 0.337 4.535 4.170 0.047 0.000 0.292 160 I C 1.257 177.577 176.117 0.339 0.000 1.046 160 I CA -0.085 61.311 61.300 0.159 0.000 1.282 160 I CB 0.620 38.672 38.000 0.086 0.000 1.409 160 I HN 0.171 nan 8.210 nan 0.000 0.484 161 G N 3.798 112.727 108.800 0.215 0.000 2.887 161 G HA2 0.476 4.464 3.960 0.047 0.000 0.277 161 G HA3 0.476 4.464 3.960 0.047 0.000 0.277 161 G C 0.632 175.789 174.900 0.429 0.000 1.346 161 G CA 0.064 45.389 45.100 0.373 0.000 1.058 161 G HN 0.517 nan 8.290 nan 0.000 0.535 162 T N -2.877 111.852 114.554 0.291 0.000 3.040 162 T HA 0.333 4.712 4.350 0.047 0.000 0.250 162 T C 1.267 176.164 174.700 0.328 0.000 1.058 162 T CA 0.672 62.877 62.100 0.175 0.000 0.988 162 T CB 0.085 68.890 68.868 -0.106 0.000 0.993 162 T HN 0.738 nan 8.240 nan 0.000 0.519 163 G N 2.446 111.368 108.800 0.203 0.000 2.653 163 G HA2 0.422 4.410 3.960 0.047 0.000 0.265 163 G HA3 0.422 4.410 3.960 0.047 0.000 0.265 163 G C -1.308 173.345 174.900 -0.412 0.000 1.237 163 G CA -1.174 43.958 45.100 0.053 0.000 0.946 163 G HN 0.121 nan 8.290 nan 0.000 0.522 164 P HA 0.034 nan 4.420 nan 0.000 0.241 164 P C -0.663 175.944 177.300 -1.156 0.000 1.191 164 P CA 0.613 62.864 63.100 -1.415 0.000 0.771 164 P CB 0.222 31.011 31.700 -1.518 0.000 0.929 165 W N 0.094 121.287 121.300 -0.178 0.000 2.844 165 W HA 0.556 5.245 4.660 0.047 0.000 0.340 165 W C -0.225 176.324 176.519 0.050 0.000 1.093 165 W CA -0.783 56.549 57.345 -0.021 0.000 1.212 165 W CB 1.445 30.902 29.460 -0.005 0.000 1.422 165 W HN -0.352 nan 8.180 nan 0.000 0.515 166 I N 3.243 124.028 120.570 0.358 0.000 2.509 166 I HA 0.257 4.455 4.170 0.047 0.000 0.293 166 I C -0.743 175.454 176.117 0.134 0.000 1.020 166 I CA -1.292 60.118 61.300 0.182 0.000 1.088 166 I CB 1.621 39.676 38.000 0.092 0.000 1.267 166 I HN 0.125 nan 8.210 nan 0.000 0.430 167 L N 5.897 127.059 121.223 -0.101 0.000 2.361 167 L HA 0.129 4.497 4.340 0.047 0.000 0.278 167 L C 1.070 177.777 176.870 -0.272 0.000 1.113 167 L CA 0.811 55.329 54.840 -0.537 0.000 0.849 167 L CB 0.773 42.532 42.059 -0.499 0.000 1.155 167 L HN 0.726 nan 8.230 nan 0.000 0.452 168 Q N 3.756 123.407 119.800 -0.249 0.000 2.061 168 Q HA 0.045 4.413 4.340 0.047 0.000 0.195 168 Q C -0.420 175.525 176.000 -0.091 0.000 0.967 168 Q CA 1.249 56.994 55.803 -0.097 0.000 0.829 168 Q CB 0.420 29.137 28.738 -0.034 0.000 0.900 168 Q HN 0.847 nan 8.270 nan 0.000 0.450 169 E N -1.174 118.964 120.200 -0.104 0.000 2.401 169 E HA 0.469 4.848 4.350 0.047 0.000 0.280 169 E C -1.648 174.920 176.600 -0.054 0.000 1.039 169 E CA -0.866 55.502 56.400 -0.052 0.000 0.814 169 E CB 1.541 31.265 29.700 0.040 0.000 1.275 169 E HN -0.045 nan 8.360 nan 0.000 0.448 170 S N 0.627 116.280 115.700 -0.078 0.000 2.538 170 S HA 0.473 4.971 4.470 0.047 0.000 0.288 170 S C -1.059 173.420 174.600 -0.201 0.000 1.108 170 S CA -1.036 57.093 58.200 -0.118 0.000 0.971 170 S CB 1.343 64.471 63.200 -0.119 0.000 1.041 170 S HN 0.357 nan 8.310 nan 0.000 0.483 171 K N 2.482 122.640 120.400 -0.404 0.000 2.425 171 K HA 0.362 4.711 4.320 0.047 0.000 0.259 171 K C -0.814 175.607 176.600 -0.299 0.000 0.978 171 K CA -0.546 55.470 56.287 -0.452 0.000 0.883 171 K CB 1.551 33.526 32.500 -0.875 0.000 1.110 171 K HN 0.540 nan 8.250 nan 0.000 0.436 172 L N 3.176 124.300 121.223 -0.165 0.000 2.601 172 L HA -0.148 4.220 4.340 0.047 0.000 0.277 172 L C 1.105 177.928 176.870 -0.078 0.000 1.219 172 L CA 0.705 55.489 54.840 -0.094 0.000 0.915 172 L CB -0.296 41.727 42.059 -0.061 0.000 1.160 172 L HN 0.817 nan 8.230 nan 0.000 0.494 173 N N 0.717 119.396 118.700 -0.036 0.000 2.936 173 N HA -0.237 4.531 4.740 0.047 0.000 0.236 173 N C 0.617 176.129 175.510 0.003 0.000 0.930 173 N CA 1.915 54.962 53.050 -0.005 0.000 0.966 173 N CB -0.400 38.084 38.487 -0.006 0.000 1.090 173 N HN 0.824 nan 8.380 nan 0.000 0.592 174 Q N -2.164 117.609 119.800 -0.045 0.000 2.642 174 Q HA 0.282 4.651 4.340 0.047 0.000 0.202 174 Q C -0.355 175.714 176.000 0.115 0.000 0.845 174 Q CA 0.781 56.580 55.803 -0.006 0.000 0.873 174 Q CB 0.837 29.500 28.738 -0.126 0.000 1.190 174 Q HN 0.525 nan 8.270 nan 0.000 0.642 175 Y N -1.856 118.497 120.300 0.089 0.000 2.662 175 Y HA 0.546 5.125 4.550 0.047 0.000 0.334 175 Y C -2.047 173.922 175.900 0.116 0.000 1.185 175 Y CA -1.443 56.733 58.100 0.127 0.000 1.074 175 Y CB 1.190 39.711 38.460 0.101 0.000 1.330 175 Y HN -0.194 nan 8.280 nan 0.000 0.458 176 D N 1.426 122.089 120.400 0.438 0.000 2.619 176 D HA 0.586 5.254 4.640 0.047 0.000 0.241 176 D C -1.317 175.213 176.300 0.383 0.000 1.087 176 D CA -0.520 53.656 54.000 0.294 0.000 0.851 176 D CB 3.221 44.130 40.800 0.182 0.000 1.474 176 D HN 0.452 nan 8.370 nan 0.000 0.478 177 V N 2.419 122.424 119.914 0.152 0.000 2.487 177 V HA 0.441 4.589 4.120 0.047 0.000 0.298 177 V C -0.774 175.289 176.094 -0.051 0.000 1.028 177 V CA -0.676 61.706 62.300 0.136 0.000 0.860 177 V CB 1.180 33.044 31.823 0.068 0.000 0.991 177 V HN 0.363 nan 8.190 nan 0.000 0.427 178 F N 3.688 123.686 119.950 0.079 0.000 2.492 178 F HA 0.812 5.367 4.527 0.048 0.000 0.327 178 F C 0.214 176.086 175.800 0.121 0.000 1.079 178 F CA -0.782 57.266 58.000 0.080 0.000 0.967 178 F CB 2.173 41.188 39.000 0.025 0.000 1.169 178 F HN 0.401 nan 8.300 nan 0.000 0.472 179 V N -0.253 119.876 119.914 0.359 0.000 3.046 179 V HA 0.714 4.862 4.120 0.047 0.000 0.316 179 V C -0.543 175.799 176.094 0.414 0.000 1.104 179 V CA -1.495 61.006 62.300 0.335 0.000 1.006 179 V CB 1.752 33.672 31.823 0.161 0.000 1.058 179 V HN 0.827 nan 8.190 nan 0.000 0.440 180 R N 1.266 121.923 120.500 0.261 0.000 2.590 180 R HA 0.287 4.655 4.340 0.047 0.000 0.274 180 R C 0.009 176.237 176.300 -0.120 0.000 1.061 180 R CA -0.197 55.807 56.100 -0.161 0.000 1.081 180 R CB 0.161 30.253 30.300 -0.347 0.000 0.984 180 R HN 0.815 nan 8.270 nan 0.000 0.448 181 N N 2.145 120.704 118.700 -0.235 0.000 2.399 181 N HA -0.042 4.726 4.740 0.047 0.000 0.259 181 N C -0.062 175.408 175.510 -0.066 0.000 1.160 181 N CA -0.037 52.952 53.050 -0.101 0.000 0.946 181 N CB 0.835 39.255 38.487 -0.111 0.000 1.156 181 N HN 0.627 nan 8.380 nan 0.000 0.489 182 E N 2.167 122.355 120.200 -0.020 0.000 2.478 182 E HA -0.040 4.338 4.350 0.047 0.000 0.198 182 E C -0.230 176.381 176.600 0.019 0.000 1.046 182 E CA 0.560 56.956 56.400 -0.007 0.000 0.870 182 E CB 0.089 29.790 29.700 0.002 0.000 0.818 182 E HN 0.583 nan 8.360 nan 0.000 0.527 183 N N 0.301 119.029 118.700 0.047 0.000 2.416 183 N HA -0.017 4.752 4.740 0.047 0.000 0.267 183 N C -0.467 175.107 175.510 0.107 0.000 1.294 183 N CA -0.228 52.859 53.050 0.062 0.000 0.891 183 N CB 0.301 38.828 38.487 0.065 0.000 1.238 183 N HN 0.085 nan 8.380 nan 0.000 0.508 184 Y N 1.926 122.178 120.300 -0.080 0.000 2.497 184 Y HA -0.033 4.546 4.550 0.047 0.000 0.334 184 Y C 1.665 177.495 175.900 -0.116 0.000 1.199 184 Y CA -0.666 57.358 58.100 -0.127 0.000 1.425 184 Y CB 0.460 38.762 38.460 -0.263 0.000 1.291 184 Y HN 0.226 nan 8.280 nan 0.000 0.562 185 W N 4.575 125.440 121.300 -0.726 0.000 2.519 185 W HA 0.159 4.847 4.660 0.047 0.000 0.266 185 W C 0.292 176.367 176.519 -0.741 0.000 1.253 185 W CA 0.650 57.618 57.345 -0.627 0.000 1.274 185 W CB -1.012 28.125 29.460 -0.538 0.000 1.114 185 W HN 0.654 nan 8.180 nan 0.000 0.596 186 G N 1.012 108.521 108.800 -2.151 0.000 2.849 186 G HA2 0.200 4.189 3.960 0.047 0.000 0.174 186 G HA3 0.200 4.189 3.960 0.047 0.000 0.174 186 G C -0.759 173.786 174.900 -0.591 0.000 1.370 186 G CA -0.827 43.384 45.100 -1.482 0.000 1.040 186 G HN 0.029 nan 8.290 nan 0.000 0.582 187 E N 0.322 120.359 120.200 -0.272 0.000 2.360 187 E HA 0.159 4.538 4.350 0.047 0.000 0.269 187 E C -0.317 176.288 176.600 0.008 0.000 1.022 187 E CA -0.078 56.271 56.400 -0.084 0.000 0.887 187 E CB 1.184 30.858 29.700 -0.044 0.000 0.990 187 E HN 0.249 nan 8.360 nan 0.000 0.426 188 K N 4.126 124.507 120.400 -0.031 0.000 2.379 188 K HA 0.146 4.494 4.320 0.047 0.000 0.284 188 K C -2.379 174.158 176.600 -0.106 0.000 1.044 188 K CA -1.367 54.879 56.287 -0.069 0.000 0.974 188 K CB 0.471 32.937 32.500 -0.056 0.000 0.962 188 K HN 0.118 nan 8.250 nan 0.000 0.474 189 P HA -0.001 nan 4.420 nan 0.000 0.269 189 P C -0.422 176.856 177.300 -0.038 0.000 1.209 189 P CA -0.083 62.932 63.100 -0.141 0.000 0.776 189 P CB 1.147 32.620 31.700 -0.378 0.000 0.876 190 A N 3.244 126.088 122.820 0.040 0.000 1.930 190 A HA -0.049 4.300 4.320 0.047 0.000 0.217 190 A C 1.042 178.679 177.584 0.088 0.000 1.175 190 A CA 0.985 53.053 52.037 0.052 0.000 0.627 190 A CB -0.868 18.165 19.000 0.055 0.000 0.815 190 A HN 0.531 nan 8.150 nan 0.000 0.443 191 I N -0.196 120.480 120.570 0.177 0.000 2.474 191 I HA 0.088 4.286 4.170 0.047 0.000 0.287 191 I C 1.044 177.327 176.117 0.277 0.000 1.048 191 I CA -0.087 61.345 61.300 0.221 0.000 1.383 191 I CB 1.387 39.544 38.000 0.262 0.000 1.412 191 I HN 0.210 nan 8.210 nan 0.000 0.531 192 K N 3.958 124.469 120.400 0.184 0.000 2.335 192 K HA 0.155 4.503 4.320 0.047 0.000 0.195 192 K C 0.299 177.032 176.600 0.221 0.000 1.058 192 K CA 0.373 56.758 56.287 0.165 0.000 0.988 192 K CB 0.482 33.032 32.500 0.082 0.000 0.880 192 K HN 0.398 nan 8.250 nan 0.000 0.513 193 K N 1.309 121.804 120.400 0.158 0.000 2.553 193 K HA 0.353 4.701 4.320 0.047 0.000 0.250 193 K C -1.742 174.839 176.600 -0.031 0.000 0.953 193 K CA -0.376 55.971 56.287 0.099 0.000 0.800 193 K CB 1.353 33.883 32.500 0.051 0.000 1.243 193 K HN -0.106 nan 8.250 nan 0.000 0.435 194 I N 3.108 123.617 120.570 -0.102 0.000 2.389 194 I HA 0.272 4.471 4.170 0.047 0.000 0.288 194 I C -0.518 175.491 176.117 -0.180 0.000 0.999 194 I CA -0.712 60.390 61.300 -0.331 0.000 1.129 194 I CB 2.284 39.821 38.000 -0.771 0.000 1.288 194 I HN 0.515 nan 8.210 nan 0.000 0.444 195 T N 5.955 120.362 114.554 -0.245 0.000 2.794 195 T HA 0.510 4.888 4.350 0.047 0.000 0.280 195 T C -0.553 174.020 174.700 -0.211 0.000 0.987 195 T CA -0.268 61.777 62.100 -0.092 0.000 0.993 195 T CB 0.531 69.335 68.868 -0.107 0.000 0.939 195 T HN 0.097 nan 8.240 nan 0.000 0.449 196 F N 2.844 122.861 119.950 0.111 0.000 2.361 196 F HA 0.342 4.898 4.527 0.047 0.000 0.364 196 F C 1.101 177.028 175.800 0.212 0.000 1.120 196 F CA -0.837 57.261 58.000 0.163 0.000 1.102 196 F CB 0.534 39.677 39.000 0.238 0.000 1.183 196 F HN 0.462 nan 8.300 nan 0.000 0.476 197 N N 2.043 120.912 118.700 0.282 0.000 2.488 197 N HA 0.277 5.046 4.740 0.047 0.000 0.274 197 N C -0.964 174.713 175.510 0.278 0.000 1.111 197 N CA -0.533 52.672 53.050 0.259 0.000 0.974 197 N CB 1.570 40.153 38.487 0.159 0.000 1.089 197 N HN 0.222 nan 8.380 nan 0.000 0.465 198 V N 4.802 124.863 119.914 0.246 0.000 2.405 198 V HA 0.204 4.353 4.120 0.047 0.000 0.264 198 V C 0.161 176.339 176.094 0.140 0.000 1.048 198 V CA 0.209 62.635 62.300 0.209 0.000 0.966 198 V CB -0.361 31.557 31.823 0.159 0.000 1.015 198 V HN 0.555 nan 8.190 nan 0.000 0.477 199 I N 8.176 128.816 120.570 0.117 0.000 2.542 199 I HA 0.289 4.487 4.170 0.047 0.000 0.278 199 I C -1.692 174.437 176.117 0.020 0.000 1.069 199 I CA -1.376 59.965 61.300 0.069 0.000 1.100 199 I CB 2.575 40.621 38.000 0.077 0.000 1.204 199 I HN 0.396 nan 8.210 nan 0.000 0.470 200 P HA -0.059 nan 4.420 nan 0.000 0.225 200 P C 0.154 177.423 177.300 -0.052 0.000 1.156 200 P CA 0.900 63.978 63.100 -0.037 0.000 0.787 200 P CB 0.254 31.941 31.700 -0.022 0.000 0.802 201 D N -0.042 120.340 120.400 -0.031 0.000 2.177 201 D HA 0.162 4.831 4.640 0.047 0.000 0.247 201 D C -1.502 174.774 176.300 -0.040 0.000 1.063 201 D CA -2.598 51.380 54.000 -0.037 0.000 0.867 201 D CB 1.578 42.365 40.800 -0.021 0.000 1.168 201 D HN -0.181 nan 8.370 nan 0.000 0.445 202 P HA -0.110 nan 4.420 nan 0.000 0.216 202 P C 1.135 178.411 177.300 -0.041 0.000 1.153 202 P CA 1.129 64.190 63.100 -0.064 0.000 0.848 202 P CB 0.084 31.730 31.700 -0.090 0.000 0.787 203 T N -0.482 114.049 114.554 -0.038 0.000 2.746 203 T HA -0.117 4.262 4.350 0.047 0.000 0.267 203 T C 1.767 176.475 174.700 0.012 0.000 1.039 203 T CA 2.149 64.236 62.100 -0.023 0.000 1.142 203 T CB -1.308 67.544 68.868 -0.026 0.000 0.866 203 T HN 0.195 nan 8.240 nan 0.000 0.444 204 T N 1.943 116.505 114.554 0.012 0.000 2.833 204 T HA -0.062 4.317 4.350 0.047 0.000 0.269 204 T C 2.113 176.845 174.700 0.054 0.000 1.054 204 T CA 0.873 62.992 62.100 0.032 0.000 1.135 204 T CB -0.157 68.725 68.868 0.022 0.000 0.869 204 T HN 0.379 nan 8.240 nan 0.000 0.466 205 R N 1.000 121.528 120.500 0.047 0.000 2.073 205 R HA -0.006 4.363 4.340 0.047 0.000 0.234 205 R C 2.864 179.247 176.300 0.137 0.000 1.134 205 R CA 1.393 57.540 56.100 0.078 0.000 0.952 205 R CB -0.524 29.803 30.300 0.045 0.000 0.850 205 R HN 0.386 nan 8.270 nan 0.000 0.433 206 A N 0.713 123.607 122.820 0.123 0.000 1.902 206 A HA -0.105 4.244 4.320 0.047 0.000 0.217 206 A C 2.374 180.135 177.584 0.295 0.000 1.181 206 A CA 1.320 53.503 52.037 0.244 0.000 0.623 206 A CB -0.491 18.566 19.000 0.096 0.000 0.818 206 A HN 0.117 nan 8.150 nan 0.000 0.443 207 V N -0.058 119.958 119.914 0.171 0.000 2.343 207 V HA -0.268 3.880 4.120 0.047 0.000 0.247 207 V C 3.043 179.198 176.094 0.102 0.000 1.051 207 V CA 1.917 64.298 62.300 0.134 0.000 1.036 207 V CB -1.254 30.618 31.823 0.081 0.000 0.654 207 V HN 0.614 nan 8.190 nan 0.000 0.451 208 A N -0.662 122.218 122.820 0.100 0.000 1.940 208 A HA -0.248 4.101 4.320 0.047 0.000 0.219 208 A C 2.105 179.715 177.584 0.044 0.000 1.176 208 A CA 2.069 54.146 52.037 0.067 0.000 0.631 208 A CB -0.664 18.384 19.000 0.080 0.000 0.814 208 A HN 0.557 nan 8.150 nan 0.000 0.446 209 F N 0.731 120.669 119.950 -0.020 0.000 2.163 209 F HA -0.059 4.497 4.527 0.048 0.000 0.297 209 F C 2.171 177.843 175.800 -0.212 0.000 1.094 209 F CA 1.870 59.800 58.000 -0.118 0.000 1.290 209 F CB -0.183 38.743 39.000 -0.123 0.000 1.017 209 F HN 0.330 nan 8.300 nan 0.000 0.483 210 E N -0.520 119.613 120.200 -0.112 0.000 2.110 210 E HA -0.211 4.167 4.350 0.047 0.000 0.193 210 E C 2.042 178.543 176.600 -0.166 0.000 0.988 210 E CA 1.812 58.116 56.400 -0.160 0.000 0.804 210 E CB -0.384 29.378 29.700 0.104 0.000 0.745 210 E HN 0.524 nan 8.360 nan 0.000 0.458 211 T N -2.891 111.591 114.554 -0.120 0.000 3.085 211 T HA 0.136 4.514 4.350 0.047 0.000 0.263 211 T C 1.570 176.180 174.700 -0.151 0.000 1.127 211 T CA 0.548 62.592 62.100 -0.093 0.000 1.103 211 T CB 0.292 69.135 68.868 -0.041 0.000 0.921 211 T HN 0.296 nan 8.240 nan 0.000 0.510 212 G N 1.346 109.985 108.800 -0.270 0.000 2.143 212 G HA2 -0.255 3.734 3.960 0.047 0.000 0.249 212 G HA3 -0.255 3.734 3.960 0.047 0.000 0.249 212 G C 0.471 175.261 174.900 -0.183 0.000 0.981 212 G CA 0.313 45.242 45.100 -0.286 0.000 0.665 212 G HN 0.506 nan 8.290 nan 0.000 0.528 213 D N -0.016 120.307 120.400 -0.129 0.000 2.219 213 D HA 0.085 4.753 4.640 0.047 0.000 0.205 213 D C 1.693 177.958 176.300 -0.057 0.000 0.970 213 D CA 1.542 55.500 54.000 -0.069 0.000 0.851 213 D CB 0.125 40.908 40.800 -0.028 0.000 0.943 213 D HN 0.911 nan 8.370 nan 0.000 0.488 214 I N -3.365 117.166 120.570 -0.065 0.000 2.934 214 I HA 0.381 4.579 4.170 0.047 0.000 0.306 214 I C -0.320 175.796 176.117 -0.001 0.000 1.110 214 I CA -0.773 60.523 61.300 -0.006 0.000 1.019 214 I CB 2.592 40.637 38.000 0.075 0.000 1.227 214 I HN -0.444 nan 8.210 nan 0.000 0.434 215 D N 2.363 122.795 120.400 0.055 0.000 2.423 215 D HA 0.286 4.954 4.640 0.047 0.000 0.212 215 D C -0.233 176.219 176.300 0.254 0.000 1.060 215 D CA 0.832 54.885 54.000 0.088 0.000 0.872 215 D CB 1.304 42.120 40.800 0.028 0.000 1.012 215 D HN 0.376 nan 8.370 nan 0.000 0.503 216 L N 0.725 122.083 121.223 0.225 0.000 2.526 216 L HA 0.402 4.771 4.340 0.047 0.000 0.263 216 L C -2.139 174.827 176.870 0.160 0.000 0.943 216 L CA -0.492 54.458 54.840 0.183 0.000 0.859 216 L CB 1.881 44.022 42.059 0.138 0.000 1.313 216 L HN -0.241 nan 8.230 nan 0.000 0.406 217 L N 4.976 126.264 121.223 0.108 0.000 2.365 217 L HA 0.579 4.947 4.340 0.047 0.000 0.273 217 L C -1.646 175.323 176.870 0.164 0.000 1.000 217 L CA -0.722 54.190 54.840 0.120 0.000 0.819 217 L CB 2.133 44.213 42.059 0.035 0.000 1.284 217 L HN 0.712 nan 8.230 nan 0.000 0.418 218 Y N 2.032 122.366 120.300 0.057 0.000 2.401 218 Y HA 0.719 5.297 4.550 0.048 0.000 0.330 218 Y C -0.158 175.791 175.900 0.082 0.000 1.071 218 Y CA -0.270 57.856 58.100 0.043 0.000 1.049 218 Y CB 2.098 40.550 38.460 -0.014 0.000 1.239 218 Y HN 0.639 nan 8.280 nan 0.000 0.437 219 G N 3.801 112.590 108.800 -0.018 0.000 2.340 219 G HA2 0.195 4.184 3.960 0.047 0.000 0.299 219 G HA3 0.195 4.184 3.960 0.047 0.000 0.299 219 G C -1.648 173.185 174.900 -0.111 0.000 1.291 219 G CA -0.829 44.300 45.100 0.049 0.000 0.841 219 G HN 0.798 nan 8.290 nan 0.000 0.500 220 N N -0.625 118.021 118.700 -0.090 0.000 2.460 220 N HA 0.216 4.985 4.740 0.047 0.000 0.296 220 N C 1.343 176.743 175.510 -0.183 0.000 1.319 220 N CA 0.350 53.322 53.050 -0.129 0.000 0.945 220 N CB 0.061 38.502 38.487 -0.076 0.000 1.096 220 N HN 0.618 nan 8.380 nan 0.000 0.538 221 E N -1.472 118.624 120.200 -0.173 0.000 2.409 221 E HA -0.063 4.315 4.350 0.047 0.000 0.198 221 E C 1.054 177.542 176.600 -0.187 0.000 1.024 221 E CA 1.150 57.431 56.400 -0.198 0.000 0.861 221 E CB -0.953 28.651 29.700 -0.160 0.000 0.788 221 E HN 0.753 nan 8.360 nan 0.000 0.521 222 G N 1.102 109.801 108.800 -0.168 0.000 2.985 222 G HA2 0.040 4.028 3.960 0.047 0.000 0.209 222 G HA3 0.040 4.028 3.960 0.047 0.000 0.209 222 G C 1.301 176.098 174.900 -0.172 0.000 1.165 222 G CA 0.182 45.184 45.100 -0.164 0.000 0.776 222 G HN 0.251 nan 8.290 nan 0.000 0.541 223 L N 0.353 121.467 121.223 -0.182 0.000 2.012 223 L HA 0.260 4.628 4.340 0.047 0.000 0.210 223 L C 0.958 177.751 176.870 -0.128 0.000 1.073 223 L CA 1.740 56.484 54.840 -0.159 0.000 0.748 223 L CB -0.128 41.837 42.059 -0.158 0.000 0.891 223 L HN 0.330 nan 8.230 nan 0.000 0.431 224 L N -6.218 114.922 121.223 -0.140 0.000 2.630 224 L HA 0.618 4.986 4.340 0.047 0.000 0.258 224 L C -2.721 174.061 176.870 -0.148 0.000 1.072 224 L CA -1.945 52.825 54.840 -0.116 0.000 0.885 224 L CB 0.870 42.880 42.059 -0.080 0.000 1.502 224 L HN -0.366 nan 8.230 nan 0.000 0.406 225 P HA 0.256 nan 4.420 nan 0.000 0.268 225 P C 0.483 177.659 177.300 -0.207 0.000 1.204 225 P CA -0.049 62.946 63.100 -0.175 0.000 0.768 225 P CB 0.773 32.364 31.700 -0.181 0.000 0.842 226 L N 1.887 122.997 121.223 -0.189 0.000 2.291 226 L HA -0.113 4.255 4.340 0.047 0.000 0.214 226 L C 1.845 178.504 176.870 -0.352 0.000 1.120 226 L CA 1.086 55.833 54.840 -0.156 0.000 0.799 226 L CB -0.654 41.365 42.059 -0.066 0.000 0.925 226 L HN 0.408 nan 8.230 nan 0.000 0.446 227 D N -1.128 118.867 120.400 -0.675 0.000 2.117 227 D HA -0.182 4.486 4.640 0.047 0.000 0.197 227 D C 1.854 177.745 176.300 -0.683 0.000 0.987 227 D CA 1.784 55.018 54.000 -1.277 0.000 0.829 227 D CB -0.783 39.472 40.800 -0.907 0.000 0.961 227 D HN 0.105 nan 8.370 nan 0.000 0.460 228 T N -0.082 114.176 114.554 -0.495 0.000 2.708 228 T HA -0.099 4.280 4.350 0.047 0.000 0.266 228 T C 1.500 175.766 174.700 -0.723 0.000 1.037 228 T CA 1.056 62.799 62.100 -0.596 0.000 1.146 228 T CB -0.686 67.810 68.868 -0.620 0.000 0.865 228 T HN 0.183 nan 8.240 nan 0.000 0.435 229 F N 2.386 121.980 119.950 -0.593 0.000 2.120 229 F HA -0.103 4.453 4.527 0.048 0.000 0.300 229 F C 2.431 178.127 175.800 -0.173 0.000 1.095 229 F CA 1.101 58.880 58.000 -0.369 0.000 1.249 229 F CB -0.654 38.206 39.000 -0.233 0.000 0.995 229 F HN 0.147 nan 8.300 nan 0.000 0.480 230 A N 0.462 123.193 122.820 -0.149 0.000 1.933 230 A HA -0.210 4.138 4.320 0.047 0.000 0.218 230 A C 2.365 179.887 177.584 -0.105 0.000 1.175 230 A CA 1.715 53.701 52.037 -0.085 0.000 0.628 230 A CB -0.881 18.241 19.000 0.203 0.000 0.814 230 A HN 0.506 nan 8.150 nan 0.000 0.444 231 R N -1.465 118.961 120.500 -0.124 0.000 2.081 231 R HA -0.131 4.237 4.340 0.047 0.000 0.235 231 R C 1.702 178.092 176.300 0.150 0.000 1.131 231 R CA 1.795 57.894 56.100 -0.003 0.000 0.960 231 R CB -0.425 29.870 30.300 -0.009 0.000 0.856 231 R HN 0.393 nan 8.270 nan 0.000 0.436 232 F N 1.236 121.146 119.950 -0.065 0.000 2.202 232 F HA -0.150 4.406 4.527 0.048 0.000 0.301 232 F C 2.646 178.383 175.800 -0.106 0.000 1.082 232 F CA 1.422 59.443 58.000 0.035 0.000 1.313 232 F CB -1.123 37.859 39.000 -0.029 0.000 1.024 232 F HN 0.213 nan 8.300 nan 0.000 0.495 233 S N -0.686 114.943 115.700 -0.119 0.000 2.515 233 S HA -0.149 4.349 4.470 0.047 0.000 0.231 233 S C 1.479 176.033 174.600 -0.075 0.000 0.987 233 S CA 0.753 58.830 58.200 -0.205 0.000 0.936 233 S CB -0.445 62.531 63.200 -0.375 0.000 0.766 233 S HN 0.556 nan 8.310 nan 0.000 0.528 234 Q N 0.539 120.324 119.800 -0.025 0.000 2.319 234 Q HA 0.284 4.653 4.340 0.047 0.000 0.209 234 Q C -0.099 175.882 176.000 -0.030 0.000 0.884 234 Q CA -0.284 55.509 55.803 -0.017 0.000 0.938 234 Q CB 0.171 28.908 28.738 -0.002 0.000 1.098 234 Q HN 0.410 nan 8.270 nan 0.000 0.517 235 N N 2.072 120.747 118.700 -0.042 0.000 2.408 235 N HA 0.060 4.829 4.740 0.047 0.000 0.257 235 N C -1.928 173.464 175.510 -0.197 0.000 1.064 235 N CA -1.632 51.309 53.050 -0.181 0.000 0.952 235 N CB 1.292 39.551 38.487 -0.380 0.000 1.093 235 N HN -0.030 nan 8.380 nan 0.000 0.490 236 P HA 0.036 nan 4.420 nan 0.000 0.241 236 P C 0.567 177.808 177.300 -0.098 0.000 1.191 236 P CA 0.372 63.418 63.100 -0.090 0.000 0.771 236 P CB 0.230 31.893 31.700 -0.061 0.000 0.929 237 A N -1.718 120.962 122.820 -0.233 0.000 2.167 237 A HA 0.014 4.362 4.320 0.047 0.000 0.214 237 A C 0.431 178.073 177.584 0.096 0.000 1.151 237 A CA 0.786 52.723 52.037 -0.167 0.000 0.735 237 A CB -0.712 18.104 19.000 -0.306 0.000 0.802 237 A HN 0.070 nan 8.150 nan 0.000 0.467 238 Y N -2.065 118.257 120.300 0.037 0.000 2.650 238 Y HA 0.638 5.217 4.550 0.047 0.000 0.331 238 Y C -0.007 175.964 175.900 0.119 0.000 1.082 238 Y CA -2.224 55.936 58.100 0.099 0.000 1.171 238 Y CB 0.515 38.976 38.460 0.002 0.000 1.326 238 Y HN 0.272 nan 8.280 nan 0.000 0.513 239 H N -0.237 118.951 119.070 0.198 0.000 2.600 239 H HA 0.652 5.237 4.556 0.048 0.000 0.357 239 H C -0.963 174.382 175.328 0.029 0.000 1.106 239 H CA -0.503 55.597 56.048 0.088 0.000 1.193 239 H CB 1.530 31.339 29.762 0.078 0.000 1.594 239 H HN 0.708 nan 8.280 nan 0.000 0.526 240 T N 1.998 116.228 114.554 -0.539 0.000 2.901 240 T HA 0.666 5.045 4.350 0.047 0.000 0.293 240 T C -0.855 173.614 174.700 -0.384 0.000 1.084 240 T CA -1.016 60.867 62.100 -0.361 0.000 1.008 240 T CB 2.267 70.906 68.868 -0.382 0.000 1.170 240 T HN 0.663 nan 8.240 nan 0.000 0.509 241 Q N 0.090 119.883 119.800 -0.011 0.000 2.418 241 Q HA 0.710 5.079 4.340 0.047 0.000 0.282 241 Q C -2.006 174.136 176.000 0.237 0.000 1.044 241 Q CA -1.035 54.824 55.803 0.093 0.000 0.813 241 Q CB 2.958 31.773 28.738 0.130 0.000 1.428 241 Q HN 0.681 nan 8.270 nan 0.000 0.402 242 L N 1.153 122.484 121.223 0.181 0.000 2.476 242 L HA 0.521 4.890 4.340 0.047 0.000 0.269 242 L C -0.633 176.226 176.870 -0.019 0.000 0.965 242 L CA -0.095 54.776 54.840 0.052 0.000 0.845 242 L CB 2.131 44.248 42.059 0.097 0.000 1.259 242 L HN 0.829 nan 8.230 nan 0.000 0.403 243 S N 3.131 118.701 115.700 -0.217 0.000 2.661 243 S HA 0.499 4.997 4.470 0.047 0.000 0.265 243 S C 0.028 174.498 174.600 -0.217 0.000 1.225 243 S CA -0.611 57.336 58.200 -0.423 0.000 0.986 243 S CB 0.591 63.159 63.200 -1.053 0.000 1.008 243 S HN 0.748 nan 8.310 nan 0.000 0.565 244 Q N 1.057 120.745 119.800 -0.187 0.000 2.394 244 Q HA 0.300 4.669 4.340 0.047 0.000 0.248 244 Q C -2.306 173.617 176.000 -0.129 0.000 0.992 244 Q CA -1.622 54.114 55.803 -0.111 0.000 0.888 244 Q CB -0.204 28.493 28.738 -0.068 0.000 1.257 244 Q HN 0.468 nan 8.270 nan 0.000 0.462 245 P HA -0.082 nan 4.420 nan 0.000 0.267 245 P C -0.087 177.170 177.300 -0.071 0.000 1.200 245 P CA 0.611 63.676 63.100 -0.059 0.000 0.772 245 P CB 0.349 32.050 31.700 0.002 0.000 0.855 246 I N -0.508 120.030 120.570 -0.053 0.000 4.139 246 I HA 0.352 4.550 4.170 0.047 0.000 0.320 246 I C 0.516 176.639 176.117 0.010 0.000 1.290 246 I CA 0.157 61.441 61.300 -0.027 0.000 1.253 246 I CB 0.108 38.092 38.000 -0.026 0.000 1.122 246 I HN 0.311 nan 8.210 nan 0.000 0.421 247 E N 0.706 120.918 120.200 0.020 0.000 2.427 247 E HA 0.342 4.720 4.350 0.047 0.000 0.279 247 E C -1.369 175.269 176.600 0.064 0.000 1.120 247 E CA -0.820 55.597 56.400 0.029 0.000 0.869 247 E CB 1.115 30.825 29.700 0.017 0.000 1.393 247 E HN -0.077 nan 8.360 nan 0.000 0.443 248 T N 0.759 115.310 114.554 -0.005 0.000 2.867 248 T HA 0.474 4.852 4.350 0.047 0.000 0.282 248 T C -0.463 174.156 174.700 -0.135 0.000 1.000 248 T CA -0.559 61.536 62.100 -0.008 0.000 1.042 248 T CB 1.416 70.199 68.868 -0.141 0.000 0.973 248 T HN 0.307 nan 8.240 nan 0.000 0.465 249 V N 5.611 125.457 119.914 -0.114 0.000 2.435 249 V HA 0.691 4.840 4.120 0.047 0.000 0.290 249 V C 0.010 176.057 176.094 -0.078 0.000 1.030 249 V CA -0.605 61.651 62.300 -0.072 0.000 0.881 249 V CB 1.216 33.026 31.823 -0.022 0.000 0.983 249 V HN 0.862 nan 8.190 nan 0.000 0.445 250 M N 5.260 124.844 119.600 -0.027 0.000 2.683 250 M HA 0.639 5.148 4.480 0.047 0.000 0.274 250 M C -1.993 174.324 176.300 0.030 0.000 1.272 250 M CA -0.752 54.531 55.300 -0.028 0.000 0.833 250 M CB 2.061 34.613 32.600 -0.080 0.000 1.708 250 M HN 0.300 nan 8.290 nan 0.000 0.463 251 L N 1.801 123.004 121.223 -0.033 0.000 2.357 251 L HA 0.798 5.167 4.340 0.047 0.000 0.273 251 L C 0.311 177.245 176.870 0.107 0.000 1.080 251 L CA -0.792 53.998 54.840 -0.083 0.000 0.803 251 L CB 1.523 43.452 42.059 -0.217 0.000 1.174 251 L HN 0.941 nan 8.230 nan 0.000 0.443 252 A N 4.122 126.995 122.820 0.089 0.000 2.276 252 A HA 0.715 5.063 4.320 0.047 0.000 0.316 252 A C -0.595 177.020 177.584 0.052 0.000 1.229 252 A CA -0.525 51.579 52.037 0.111 0.000 0.851 252 A CB 0.551 19.639 19.000 0.147 0.000 1.165 252 A HN 0.634 nan 8.150 nan 0.000 0.513 253 L N 2.375 123.588 121.223 -0.017 0.000 2.309 253 L HA 0.355 4.723 4.340 0.047 0.000 0.282 253 L C 0.207 177.097 176.870 0.033 0.000 1.036 253 L CA -0.939 53.910 54.840 0.016 0.000 0.806 253 L CB 1.266 43.282 42.059 -0.073 0.000 1.220 253 L HN 0.692 nan 8.230 nan 0.000 0.429 254 N N 1.504 120.226 118.700 0.037 0.000 2.415 254 N HA 0.013 4.781 4.740 0.047 0.000 0.250 254 N C 1.084 176.517 175.510 -0.127 0.000 1.127 254 N CA -0.080 52.898 53.050 -0.120 0.000 0.945 254 N CB 1.200 39.467 38.487 -0.366 0.000 1.196 254 N HN 0.727 nan 8.380 nan 0.000 0.499 255 T N 0.188 114.667 114.554 -0.126 0.000 3.098 255 T HA -0.019 4.359 4.350 0.047 0.000 0.266 255 T C 1.154 175.790 174.700 -0.106 0.000 1.145 255 T CA 0.847 62.881 62.100 -0.110 0.000 1.092 255 T CB 0.053 68.852 68.868 -0.114 0.000 0.908 255 T HN 0.366 nan 8.240 nan 0.000 0.526 256 A N 0.101 122.839 122.820 -0.135 0.000 2.430 256 A HA 0.484 4.833 4.320 0.047 0.000 0.243 256 A C 0.630 178.148 177.584 -0.109 0.000 1.254 256 A CA -0.509 51.458 52.037 -0.118 0.000 0.914 256 A CB 0.063 18.984 19.000 -0.132 0.000 0.998 256 A HN 0.491 nan 8.150 nan 0.000 0.515 257 K N 0.414 120.747 120.400 -0.112 0.000 2.482 257 K HA 0.645 4.993 4.320 0.047 0.000 0.251 257 K C -0.456 176.113 176.600 -0.052 0.000 0.936 257 K CA -0.585 55.646 56.287 -0.093 0.000 0.791 257 K CB 1.744 34.160 32.500 -0.141 0.000 1.213 257 K HN 0.148 nan 8.250 nan 0.000 0.428 258 A N 4.250 127.060 122.820 -0.017 0.000 2.462 258 A HA 0.261 4.609 4.320 0.047 0.000 0.243 258 A C -1.797 175.789 177.584 0.003 0.000 1.076 258 A CA -0.834 51.217 52.037 0.024 0.000 0.773 258 A CB -0.050 18.987 19.000 0.062 0.000 1.010 258 A HN 0.723 nan 8.150 nan 0.000 0.493 259 P HA 0.055 nan 4.420 nan 0.000 0.274 259 P C 0.793 178.061 177.300 -0.053 0.000 1.352 259 P CA 0.575 63.677 63.100 0.003 0.000 0.947 259 P CB 0.050 31.658 31.700 -0.154 0.000 1.437 260 T N -2.251 112.262 114.554 -0.069 0.000 3.163 260 T HA -0.079 4.300 4.350 0.047 0.000 0.260 260 T C 1.476 176.143 174.700 -0.055 0.000 1.156 260 T CA 0.400 62.455 62.100 -0.075 0.000 1.072 260 T CB -1.008 67.816 68.868 -0.072 0.000 0.937 260 T HN 0.160 nan 8.240 nan 0.000 0.528 261 N N 1.524 120.205 118.700 -0.032 0.000 2.512 261 N HA -0.086 4.683 4.740 0.047 0.000 0.183 261 N C 0.103 175.611 175.510 -0.002 0.000 1.073 261 N CA 0.280 53.314 53.050 -0.026 0.000 0.911 261 N CB -0.137 38.340 38.487 -0.015 0.000 0.964 261 N HN 0.546 nan 8.380 nan 0.000 0.447 262 E N 0.688 120.903 120.200 0.024 0.000 2.194 262 E HA 0.067 4.446 4.350 0.047 0.000 0.284 262 E C 0.716 177.327 176.600 0.018 0.000 1.035 262 E CA -0.522 55.909 56.400 0.052 0.000 0.836 262 E CB 1.853 31.636 29.700 0.139 0.000 1.070 262 E HN 0.020 nan 8.360 nan 0.000 0.401 263 L N 4.403 125.635 121.223 0.015 0.000 2.043 263 L HA -0.261 4.107 4.340 0.047 0.000 0.212 263 L C 2.000 178.878 176.870 0.013 0.000 1.075 263 L CA 2.470 57.311 54.840 0.002 0.000 0.752 263 L CB -0.460 41.603 42.059 0.006 0.000 0.891 263 L HN 0.700 nan 8.230 nan 0.000 0.432 264 A N -1.562 121.284 122.820 0.044 0.000 1.969 264 A HA -0.095 4.253 4.320 0.047 0.000 0.218 264 A C 2.248 179.847 177.584 0.024 0.000 1.169 264 A CA 1.667 53.737 52.037 0.055 0.000 0.635 264 A CB -0.930 18.130 19.000 0.098 0.000 0.810 264 A HN 0.310 nan 8.150 nan 0.000 0.445 265 V N 0.125 120.033 119.914 -0.010 0.000 2.295 265 V HA -0.260 3.889 4.120 0.047 0.000 0.246 265 V C 2.630 178.672 176.094 -0.086 0.000 1.049 265 V CA 2.213 64.445 62.300 -0.113 0.000 1.024 265 V CB -0.780 30.925 31.823 -0.197 0.000 0.648 265 V HN 0.531 nan 8.190 nan 0.000 0.447 266 R N -0.205 120.255 120.500 -0.066 0.000 2.096 266 R HA -0.163 4.205 4.340 0.047 0.000 0.235 266 R C 2.273 178.533 176.300 -0.067 0.000 1.127 266 R CA 1.572 57.627 56.100 -0.075 0.000 0.968 266 R CB -0.281 29.970 30.300 -0.081 0.000 0.861 266 R HN 0.632 nan 8.270 nan 0.000 0.440 267 E N 0.581 120.762 120.200 -0.031 0.000 2.072 267 E HA -0.152 4.227 4.350 0.047 0.000 0.191 267 E C 2.079 178.729 176.600 0.082 0.000 0.985 267 E CA 1.102 57.501 56.400 -0.002 0.000 0.801 267 E CB -0.091 29.651 29.700 0.070 0.000 0.750 267 E HN 0.342 nan 8.360 nan 0.000 0.452 268 A N 1.389 124.261 122.820 0.086 0.000 1.902 268 A HA -0.172 4.177 4.320 0.047 0.000 0.217 268 A C 2.217 179.842 177.584 0.068 0.000 1.181 268 A CA 1.071 53.178 52.037 0.116 0.000 0.623 268 A CB -0.719 18.296 19.000 0.024 0.000 0.818 268 A HN 0.129 nan 8.150 nan 0.000 0.443 269 L N -0.186 121.029 121.223 -0.014 0.000 2.043 269 L HA -0.234 4.135 4.340 0.047 0.000 0.212 269 L C 2.131 178.979 176.870 -0.036 0.000 1.075 269 L CA 1.457 56.276 54.840 -0.036 0.000 0.752 269 L CB -0.764 41.251 42.059 -0.074 0.000 0.891 269 L HN 0.449 nan 8.230 nan 0.000 0.432 270 N N -0.852 117.796 118.700 -0.088 0.000 2.520 270 N HA -0.154 4.614 4.740 0.047 0.000 0.185 270 N C 1.206 176.570 175.510 -0.243 0.000 1.068 270 N CA 1.052 53.995 53.050 -0.178 0.000 0.911 270 N CB 0.113 38.433 38.487 -0.279 0.000 0.961 270 N HN 0.400 nan 8.380 nan 0.000 0.446 271 Y N -0.320 119.969 120.300 -0.018 0.000 2.458 271 Y HA 0.295 4.865 4.550 0.033 0.000 0.256 271 Y C 1.891 177.803 175.900 0.019 0.000 1.159 271 Y CA -0.259 57.835 58.100 -0.010 0.000 1.261 271 Y CB 0.268 38.696 38.460 -0.053 0.000 1.119 271 Y HN -0.014 nan 8.280 nan 0.000 0.524 272 A N -0.555 122.364 122.820 0.165 0.000 2.030 272 A HA 0.185 4.534 4.320 0.047 0.000 0.215 272 A C 0.653 178.401 177.584 0.273 0.000 1.164 272 A CA 0.389 52.525 52.037 0.164 0.000 0.697 272 A CB -0.236 18.810 19.000 0.077 0.000 0.827 272 A HN 0.011 nan 8.150 nan 0.000 0.457 273 V N 2.011 122.044 119.914 0.199 0.000 2.407 273 V HA 0.190 4.338 4.120 0.047 0.000 0.278 273 V C -0.215 175.911 176.094 0.053 0.000 1.037 273 V CA -0.873 61.487 62.300 0.100 0.000 0.900 273 V CB 1.271 33.096 31.823 0.004 0.000 0.983 273 V HN 0.475 nan 8.190 nan 0.000 0.459 274 N N 4.356 122.886 118.700 -0.283 0.000 2.439 274 N HA 0.194 4.963 4.740 0.047 0.000 0.243 274 N C 0.807 176.165 175.510 -0.254 0.000 1.088 274 N CA -0.072 52.640 53.050 -0.564 0.000 0.940 274 N CB 0.967 38.843 38.487 -1.018 0.000 1.180 274 N HN 0.592 nan 8.380 nan 0.000 0.505 275 K N 2.538 122.854 120.400 -0.140 0.000 2.167 275 K HA -0.065 4.284 4.320 0.047 0.000 0.203 275 K C 1.575 178.108 176.600 -0.112 0.000 1.052 275 K CA 0.718 56.940 56.287 -0.110 0.000 0.956 275 K CB 0.377 32.823 32.500 -0.091 0.000 0.735 275 K HN 0.428 nan 8.250 nan 0.000 0.451 276 K N 0.913 121.247 120.400 -0.111 0.000 2.057 276 K HA -0.085 4.263 4.320 0.047 0.000 0.206 276 K C 2.028 178.561 176.600 -0.111 0.000 1.050 276 K CA 1.496 57.727 56.287 -0.094 0.000 0.935 276 K CB 0.068 32.523 32.500 -0.075 0.000 0.715 276 K HN -0.077 nan 8.250 nan 0.000 0.439 277 S N 1.447 117.058 115.700 -0.149 0.000 2.383 277 S HA -0.159 4.339 4.470 0.047 0.000 0.229 277 S C 1.777 176.305 174.600 -0.120 0.000 1.030 277 S CA 1.316 59.429 58.200 -0.145 0.000 1.002 277 S CB -0.293 62.789 63.200 -0.196 0.000 0.829 277 S HN 0.390 nan 8.310 nan 0.000 0.467 278 L N 1.128 122.279 121.223 -0.120 0.000 2.017 278 L HA -0.080 4.289 4.340 0.047 0.000 0.208 278 L C 2.020 178.845 176.870 -0.075 0.000 1.073 278 L CA 1.531 56.317 54.840 -0.090 0.000 0.745 278 L CB -0.254 41.757 42.059 -0.080 0.000 0.894 278 L HN 0.282 nan 8.230 nan 0.000 0.432 279 I N -0.082 120.441 120.570 -0.078 0.000 2.315 279 I HA -0.257 3.941 4.170 0.047 0.000 0.248 279 I C 1.819 177.898 176.117 -0.063 0.000 1.117 279 I CA 1.123 62.383 61.300 -0.066 0.000 1.404 279 I CB -0.412 37.547 38.000 -0.068 0.000 1.071 279 I HN 0.297 nan 8.210 nan 0.000 0.419 280 D N 0.343 120.693 120.400 -0.083 0.000 2.224 280 D HA -0.148 4.520 4.640 0.047 0.000 0.205 280 D C 1.886 178.120 176.300 -0.110 0.000 0.965 280 D CA 0.824 54.758 54.000 -0.109 0.000 0.852 280 D CB -0.275 40.456 40.800 -0.115 0.000 0.947 280 D HN 0.275 nan 8.370 nan 0.000 0.494 281 N N 0.180 118.833 118.700 -0.078 0.000 2.278 281 N HA 0.007 4.776 4.740 0.047 0.000 0.181 281 N C 1.342 176.841 175.510 -0.019 0.000 1.023 281 N CA 1.171 54.187 53.050 -0.057 0.000 0.862 281 N CB 0.318 38.769 38.487 -0.061 0.000 1.003 281 N HN 0.063 nan 8.380 nan 0.000 0.431 282 A N -0.120 122.685 122.820 -0.025 0.000 2.140 282 A HA 0.338 4.686 4.320 0.047 0.000 0.209 282 A C 1.574 179.156 177.584 -0.003 0.000 1.181 282 A CA 0.042 52.067 52.037 -0.021 0.000 0.824 282 A CB 0.190 19.159 19.000 -0.050 0.000 0.879 282 A HN 0.253 nan 8.150 nan 0.000 0.480 283 L N -2.888 118.339 121.223 0.006 0.000 2.959 283 L HA 0.301 4.669 4.340 0.047 0.000 0.259 283 L C 0.305 177.238 176.870 0.105 0.000 1.185 283 L CA -0.266 54.583 54.840 0.014 0.000 0.998 283 L CB 0.142 42.181 42.059 -0.032 0.000 1.337 283 L HN 0.366 nan 8.230 nan 0.000 0.555 284 Y N 1.502 121.772 120.300 -0.051 0.000 4.177 284 Y HA -0.302 4.277 4.550 0.047 0.000 0.227 284 Y C 1.367 177.255 175.900 -0.019 0.000 1.154 284 Y CA 0.738 58.820 58.100 -0.031 0.000 1.887 284 Y CB -1.321 37.127 38.460 -0.021 0.000 1.594 284 Y HN 0.422 nan 8.280 nan 0.000 0.668 285 G N -0.583 108.193 108.800 -0.040 0.000 2.168 285 G HA2 -0.380 3.609 3.960 0.047 0.000 0.257 285 G HA3 -0.380 3.609 3.960 0.047 0.000 0.257 285 G C 0.803 175.706 174.900 0.005 0.000 0.997 285 G CA 1.093 46.163 45.100 -0.050 0.000 0.708 285 G HN 1.303 nan 8.290 nan 0.000 0.520 286 T N -3.435 111.140 114.554 0.035 0.000 3.060 286 T HA 0.450 4.828 4.350 0.047 0.000 0.249 286 T C 0.849 175.541 174.700 -0.012 0.000 1.079 286 T CA 0.923 63.045 62.100 0.037 0.000 1.013 286 T CB 0.562 69.453 68.868 0.038 0.000 0.975 286 T HN 0.407 nan 8.240 nan 0.000 0.518 287 Q N 0.669 120.453 119.800 -0.026 0.000 2.572 287 Q HA 0.526 4.894 4.340 0.047 0.000 0.284 287 Q C -0.800 175.185 176.000 -0.026 0.000 1.091 287 Q CA -0.729 55.052 55.803 -0.038 0.000 0.840 287 Q CB 1.425 30.128 28.738 -0.058 0.000 1.433 287 Q HN 0.414 nan 8.270 nan 0.000 0.471 288 Q N 0.165 119.958 119.800 -0.012 0.000 2.266 288 Q HA 0.475 4.844 4.340 0.047 0.000 0.261 288 Q C -0.586 175.372 176.000 -0.070 0.000 0.985 288 Q CA -0.759 55.047 55.803 0.005 0.000 0.873 288 Q CB 2.289 31.085 28.738 0.098 0.000 1.306 288 Q HN 0.269 nan 8.270 nan 0.000 0.447 289 V N 1.711 121.582 119.914 -0.071 0.000 2.673 289 V HA 0.173 4.321 4.120 0.047 0.000 0.303 289 V C -0.018 175.897 176.094 -0.299 0.000 1.046 289 V CA 0.230 62.443 62.300 -0.144 0.000 1.126 289 V CB 0.753 32.532 31.823 -0.073 0.000 0.934 289 V HN 0.824 nan 8.190 nan 0.000 0.487 290 A N 3.711 126.221 122.820 -0.515 0.000 2.337 290 A HA 0.678 5.027 4.320 0.047 0.000 0.329 290 A C 0.147 177.542 177.584 -0.314 0.000 1.146 290 A CA -0.501 51.010 52.037 -0.877 0.000 0.800 290 A CB 0.904 19.114 19.000 -1.317 0.000 1.220 290 A HN 0.811 nan 8.150 nan 0.000 0.472 291 D N 0.515 120.855 120.400 -0.101 0.000 2.520 291 D HA 0.135 4.804 4.640 0.047 0.000 0.223 291 D C -0.259 176.109 176.300 0.113 0.000 1.186 291 D CA 0.962 54.967 54.000 0.007 0.000 0.821 291 D CB 0.967 41.793 40.800 0.044 0.000 1.072 291 D HN 0.687 nan 8.370 nan 0.000 0.518 292 T N -1.334 113.294 114.554 0.123 0.000 2.952 292 T HA 0.251 4.629 4.350 0.047 0.000 0.305 292 T C 0.960 175.704 174.700 0.073 0.000 1.064 292 T CA -0.700 61.486 62.100 0.142 0.000 1.008 292 T CB 2.368 71.284 68.868 0.081 0.000 1.078 292 T HN -0.185 nan 8.240 nan 0.000 0.459 293 L N 1.641 122.838 121.223 -0.043 0.000 2.054 293 L HA 0.095 4.463 4.340 0.047 0.000 0.220 293 L C -0.088 176.398 176.870 -0.639 0.000 1.081 293 L CA 1.918 56.500 54.840 -0.429 0.000 0.780 293 L CB -0.644 41.083 42.059 -0.553 0.000 0.893 293 L HN 0.749 nan 8.230 nan 0.000 0.438 294 F N -0.721 119.216 119.950 -0.020 0.000 2.480 294 F HA 0.612 5.166 4.527 0.045 0.000 0.329 294 F C 0.746 176.491 175.800 -0.091 0.000 1.091 294 F CA -0.802 57.156 58.000 -0.070 0.000 0.972 294 F CB 0.808 39.745 39.000 -0.104 0.000 1.150 294 F HN -0.023 nan 8.300 nan 0.000 0.467 295 A N 3.708 126.412 122.820 -0.193 0.000 2.466 295 A HA 0.258 4.607 4.320 0.047 0.000 0.238 295 A C -1.793 175.684 177.584 -0.180 0.000 1.074 295 A CA -1.020 50.697 52.037 -0.533 0.000 0.774 295 A CB -0.129 18.199 19.000 -1.120 0.000 1.015 295 A HN 0.619 nan 8.150 nan 0.000 0.498 296 P HA -0.123 nan 4.420 nan 0.000 0.223 296 P C 1.343 178.589 177.300 -0.089 0.000 1.144 296 P CA 1.740 64.800 63.100 -0.067 0.000 0.783 296 P CB 0.069 31.743 31.700 -0.042 0.000 0.771 297 S N -2.267 113.356 115.700 -0.128 0.000 2.607 297 S HA 0.027 4.526 4.470 0.047 0.000 0.224 297 S C 0.812 175.341 174.600 -0.119 0.000 0.969 297 S CA -0.076 58.055 58.200 -0.115 0.000 0.927 297 S CB -1.063 62.067 63.200 -0.117 0.000 0.772 297 S HN -0.134 nan 8.310 nan 0.000 0.533 298 V N 3.678 123.516 119.914 -0.128 0.000 2.686 298 V HA 0.272 4.421 4.120 0.047 0.000 0.295 298 V C -2.156 173.828 176.094 -0.183 0.000 1.055 298 V CA -1.902 60.309 62.300 -0.147 0.000 1.050 298 V CB 0.442 32.169 31.823 -0.159 0.000 0.984 298 V HN 0.224 nan 8.190 nan 0.000 0.482 299 P HA 0.050 nan 4.420 nan 0.000 0.264 299 P C -0.452 176.658 177.300 -0.316 0.000 1.183 299 P CA 0.568 63.460 63.100 -0.347 0.000 0.763 299 P CB -0.068 31.443 31.700 -0.315 0.000 0.807 300 Y N 0.639 120.833 120.300 -0.176 0.000 4.929 300 Y HA -0.283 4.294 4.550 0.045 0.000 0.253 300 Y C 1.311 177.132 175.900 -0.132 0.000 0.946 300 Y CA 1.058 59.051 58.100 -0.178 0.000 1.905 300 Y CB -2.580 35.632 38.460 -0.413 0.000 1.400 300 Y HN 0.476 nan 8.280 nan 0.000 0.531 301 A N -0.457 122.341 122.820 -0.036 0.000 2.538 301 A HA 0.233 4.581 4.320 0.047 0.000 0.269 301 A C 0.703 178.293 177.584 0.010 0.000 1.231 301 A CA -0.033 52.011 52.037 0.011 0.000 0.948 301 A CB 0.047 19.053 19.000 0.011 0.000 1.110 301 A HN 0.366 nan 8.150 nan 0.000 0.529 302 N N 1.344 120.037 118.700 -0.012 0.000 2.555 302 N HA 0.308 5.077 4.740 0.047 0.000 0.244 302 N C -0.106 175.409 175.510 0.007 0.000 1.114 302 N CA 0.010 53.052 53.050 -0.012 0.000 0.963 302 N CB 0.389 38.858 38.487 -0.031 0.000 1.276 302 N HN 0.387 nan 8.380 nan 0.000 0.510 303 L N 1.480 122.708 121.223 0.009 0.000 2.966 303 L HA 0.282 4.651 4.340 0.047 0.000 0.262 303 L C 1.337 178.209 176.870 0.002 0.000 1.165 303 L CA -0.061 54.790 54.840 0.018 0.000 0.978 303 L CB 0.415 42.493 42.059 0.031 0.000 1.337 303 L HN 0.596 nan 8.230 nan 0.000 0.563 304 G N 1.481 110.275 108.800 -0.010 0.000 2.225 304 G HA2 -0.292 3.697 3.960 0.047 0.000 0.267 304 G HA3 -0.292 3.697 3.960 0.047 0.000 0.267 304 G C 0.317 175.200 174.900 -0.028 0.000 1.024 304 G CA 0.011 45.105 45.100 -0.009 0.000 0.784 304 G HN 0.248 nan 8.290 nan 0.000 0.507 305 L N -0.132 121.037 121.223 -0.090 0.000 2.514 305 L HA 0.155 4.523 4.340 0.047 0.000 0.280 305 L C 1.277 178.080 176.870 -0.112 0.000 1.223 305 L CA 0.230 54.951 54.840 -0.198 0.000 0.864 305 L CB 0.531 42.247 42.059 -0.571 0.000 1.118 305 L HN 0.180 nan 8.230 nan 0.000 0.494 306 K N 5.873 126.284 120.400 0.018 0.000 2.276 306 K HA 0.292 4.640 4.320 0.047 0.000 0.285 306 K C -2.316 174.406 176.600 0.203 0.000 1.062 306 K CA -1.588 54.766 56.287 0.111 0.000 0.918 306 K CB 1.048 33.628 32.500 0.133 0.000 1.055 306 K HN 0.259 nan 8.250 nan 0.000 0.477 307 P HA 0.036 nan 4.420 nan 0.000 0.271 307 P C -0.929 176.403 177.300 0.053 0.000 1.218 307 P CA -0.275 62.891 63.100 0.110 0.000 0.780 307 P CB 0.804 32.549 31.700 0.075 0.000 0.901 308 S N 2.285 117.933 115.700 -0.086 0.000 2.464 308 S HA 0.158 4.657 4.470 0.047 0.000 0.313 308 S C 0.325 174.855 174.600 -0.117 0.000 1.078 308 S CA -0.413 57.583 58.200 -0.340 0.000 1.096 308 S CB -0.084 62.566 63.200 -0.916 0.000 1.032 308 S HN 0.368 nan 8.310 nan 0.000 0.498 309 Q N 1.328 121.196 119.800 0.114 0.000 2.417 309 Q HA 0.158 4.526 4.340 0.047 0.000 0.241 309 Q C -0.318 175.834 176.000 0.253 0.000 1.008 309 Q CA -0.402 55.497 55.803 0.160 0.000 0.901 309 Q CB 0.477 29.310 28.738 0.158 0.000 1.259 309 Q HN 0.685 nan 8.270 nan 0.000 0.489 310 Y N 2.069 122.423 120.300 0.089 0.000 2.729 310 Y HA -0.047 4.532 4.550 0.048 0.000 0.331 310 Y C -0.657 175.311 175.900 0.112 0.000 1.208 310 Y CA 0.583 58.739 58.100 0.093 0.000 1.521 310 Y CB 0.311 38.794 38.460 0.038 0.000 1.233 310 Y HN 0.469 nan 8.280 nan 0.000 0.539 311 D N 9.006 129.190 120.400 -0.360 0.000 2.584 311 D HA 0.170 4.839 4.640 0.047 0.000 0.238 311 D C -2.351 173.717 176.300 -0.387 0.000 1.302 311 D CA -1.530 52.232 54.000 -0.396 0.000 0.884 311 D CB 1.071 41.754 40.800 -0.195 0.000 1.456 311 D HN 0.327 nan 8.370 nan 0.000 0.528 312 P HA -0.175 nan 4.420 nan 0.000 0.220 312 P C 1.425 178.613 177.300 -0.187 0.000 1.148 312 P CA 0.816 63.749 63.100 -0.279 0.000 0.803 312 P CB 0.550 32.107 31.700 -0.238 0.000 0.782 313 Q N 0.715 120.393 119.800 -0.203 0.000 2.084 313 Q HA -0.190 4.178 4.340 0.047 0.000 0.202 313 Q C 2.426 178.323 176.000 -0.172 0.000 0.978 313 Q CA 1.676 57.388 55.803 -0.151 0.000 0.844 313 Q CB -0.265 28.392 28.738 -0.134 0.000 0.898 313 Q HN 0.088 nan 8.270 nan 0.000 0.426 314 K N -0.367 119.877 120.400 -0.260 0.000 2.057 314 K HA -0.151 4.198 4.320 0.047 0.000 0.207 314 K C 1.967 178.403 176.600 -0.273 0.000 1.049 314 K CA 1.141 57.216 56.287 -0.354 0.000 0.931 314 K CB -0.227 31.860 32.500 -0.689 0.000 0.714 314 K HN 0.290 nan 8.250 nan 0.000 0.440 315 A N 1.474 124.180 122.820 -0.190 0.000 1.883 315 A HA -0.220 4.129 4.320 0.047 0.000 0.217 315 A C 1.911 179.469 177.584 -0.042 0.000 1.186 315 A CA 1.851 53.861 52.037 -0.045 0.000 0.624 315 A CB -0.404 18.604 19.000 0.014 0.000 0.822 315 A HN 0.307 nan 8.150 nan 0.000 0.444 316 K N -0.459 119.907 120.400 -0.056 0.000 2.057 316 K HA -0.046 4.302 4.320 0.047 0.000 0.207 316 K C 2.351 178.939 176.600 -0.019 0.000 1.049 316 K CA 1.077 57.347 56.287 -0.028 0.000 0.931 316 K CB -0.349 32.131 32.500 -0.033 0.000 0.714 316 K HN 0.443 nan 8.250 nan 0.000 0.440 317 A N 1.551 124.341 122.820 -0.050 0.000 1.908 317 A HA -0.167 4.181 4.320 0.047 0.000 0.218 317 A C 2.145 179.719 177.584 -0.016 0.000 1.181 317 A CA 1.361 53.374 52.037 -0.040 0.000 0.627 317 A CB -0.712 18.246 19.000 -0.070 0.000 0.818 317 A HN 0.169 nan 8.150 nan 0.000 0.445 318 L N -0.739 120.470 121.223 -0.024 0.000 2.046 318 L HA -0.197 4.172 4.340 0.047 0.000 0.208 318 L C 2.616 179.525 176.870 0.064 0.000 1.077 318 L CA 1.148 55.997 54.840 0.016 0.000 0.747 318 L CB -0.485 41.589 42.059 0.024 0.000 0.896 318 L HN 0.397 nan 8.230 nan 0.000 0.432 319 L N -0.877 120.386 121.223 0.067 0.000 2.017 319 L HA -0.190 4.178 4.340 0.047 0.000 0.208 319 L C 2.760 179.744 176.870 0.189 0.000 1.073 319 L CA 1.131 56.056 54.840 0.141 0.000 0.745 319 L CB -0.574 41.533 42.059 0.080 0.000 0.894 319 L HN 0.280 nan 8.230 nan 0.000 0.432 320 E N 0.350 120.613 120.200 0.105 0.000 2.085 320 E HA -0.281 4.097 4.350 0.047 0.000 0.194 320 E C 2.103 178.738 176.600 0.059 0.000 0.994 320 E CA 1.243 57.689 56.400 0.077 0.000 0.801 320 E CB -0.144 29.578 29.700 0.036 0.000 0.743 320 E HN 0.386 nan 8.360 nan 0.000 0.453 321 K N 0.608 121.038 120.400 0.050 0.000 2.209 321 K HA -0.054 4.295 4.320 0.047 0.000 0.204 321 K C 1.728 178.354 176.600 0.043 0.000 1.048 321 K CA 1.043 57.350 56.287 0.033 0.000 0.940 321 K CB 0.007 32.522 32.500 0.025 0.000 0.729 321 K HN 0.026 nan 8.250 nan 0.000 0.451 322 A N -0.006 122.871 122.820 0.095 0.000 2.238 322 A HA 0.216 4.565 4.320 0.047 0.000 0.208 322 A C 1.203 178.792 177.584 0.008 0.000 1.177 322 A CA 0.703 52.807 52.037 0.112 0.000 0.804 322 A CB -0.322 18.831 19.000 0.255 0.000 0.823 322 A HN 0.535 nan 8.150 nan 0.000 0.482 323 G N -2.676 106.111 108.800 -0.022 0.000 2.157 323 G HA2 -0.262 3.726 3.960 0.047 0.000 0.248 323 G HA3 -0.262 3.726 3.960 0.047 0.000 0.248 323 G C -0.215 174.542 174.900 -0.239 0.000 0.979 323 G CA 0.021 45.029 45.100 -0.153 0.000 0.650 323 G HN 0.466 nan 8.290 nan 0.000 0.529 324 W N 2.115 123.410 121.300 -0.008 0.000 2.292 324 W HA 0.572 5.258 4.660 0.043 0.000 0.352 324 W C 0.956 177.471 176.519 -0.008 0.000 0.962 324 W CA 0.119 57.460 57.345 -0.007 0.000 1.496 324 W CB 0.742 30.199 29.460 -0.006 0.000 1.381 324 W HN 0.388 nan 8.180 nan 0.000 0.363 325 T N -0.360 114.274 114.554 0.133 0.000 2.940 325 T HA 0.683 5.061 4.350 0.047 0.000 0.288 325 T C -0.586 174.163 174.700 0.083 0.000 1.045 325 T CA -1.027 61.126 62.100 0.089 0.000 1.018 325 T CB 1.249 70.136 68.868 0.032 0.000 1.151 325 T HN 0.122 nan 8.240 nan 0.000 0.529 326 L N 2.587 123.846 121.223 0.060 0.000 2.278 326 L HA 0.386 4.755 4.340 0.047 0.000 0.287 326 L C -1.903 174.987 176.870 0.034 0.000 1.072 326 L CA -2.000 52.870 54.840 0.051 0.000 0.819 326 L CB 0.475 42.557 42.059 0.039 0.000 1.176 326 L HN 0.554 nan 8.230 nan 0.000 0.435 327 P HA 0.020 nan 4.420 nan 0.000 0.267 327 P C -0.308 177.003 177.300 0.018 0.000 1.200 327 P CA -0.391 62.722 63.100 0.022 0.000 0.772 327 P CB 0.544 32.259 31.700 0.026 0.000 0.855 328 A N 2.472 125.299 122.820 0.011 0.000 2.573 328 A HA 0.349 4.698 4.320 0.047 0.000 0.250 328 A C 1.571 179.161 177.584 0.011 0.000 1.049 328 A CA 0.741 52.784 52.037 0.009 0.000 0.767 328 A CB -1.495 17.509 19.000 0.006 0.000 0.965 328 A HN 0.988 nan 8.150 nan 0.000 0.514 329 G N 1.310 110.117 108.800 0.011 0.000 2.162 329 G HA2 -0.220 3.768 3.960 0.047 0.000 0.260 329 G HA3 -0.220 3.768 3.960 0.047 0.000 0.260 329 G C 0.259 175.167 174.900 0.014 0.000 0.976 329 G CA 0.804 45.910 45.100 0.011 0.000 0.655 329 G HN 0.845 nan 8.290 nan 0.000 0.533 330 K N -0.051 120.359 120.400 0.018 0.000 2.375 330 K HA 0.453 4.802 4.320 0.047 0.000 0.249 330 K C -0.213 176.402 176.600 0.024 0.000 0.942 330 K CA -0.704 55.596 56.287 0.021 0.000 0.806 330 K CB 1.364 33.879 32.500 0.026 0.000 1.227 330 K HN -0.063 nan 8.250 nan 0.000 0.430 331 D N 0.835 121.249 120.400 0.023 0.000 2.350 331 D HA 0.100 4.769 4.640 0.047 0.000 0.213 331 D C 0.268 176.584 176.300 0.027 0.000 1.031 331 D CA 0.332 54.345 54.000 0.022 0.000 0.861 331 D CB 0.559 41.369 40.800 0.017 0.000 0.926 331 D HN 0.250 nan 8.370 nan 0.000 0.520 332 I N 1.611 122.202 120.570 0.035 0.000 2.354 332 I HA 0.227 4.426 4.170 0.047 0.000 0.292 332 I C 0.802 176.964 176.117 0.074 0.000 0.989 332 I CA -0.802 60.524 61.300 0.042 0.000 1.188 332 I CB 1.215 39.238 38.000 0.038 0.000 1.342 332 I HN -0.339 nan 8.210 nan 0.000 0.457 333 R N 4.270 124.828 120.500 0.097 0.000 2.784 333 R HA 0.319 4.688 4.340 0.047 0.000 0.266 333 R C -0.274 176.196 176.300 0.283 0.000 1.044 333 R CA -0.109 56.103 56.100 0.185 0.000 1.151 333 R CB 0.740 31.187 30.300 0.246 0.000 1.037 333 R HN 0.552 nan 8.270 nan 0.000 0.478 334 E N 0.518 120.883 120.200 0.274 0.000 2.383 334 E HA 0.330 4.708 4.350 0.047 0.000 0.275 334 E C -1.277 175.304 176.600 -0.032 0.000 0.918 334 E CA -0.919 55.605 56.400 0.208 0.000 0.764 334 E CB 2.816 32.568 29.700 0.086 0.000 1.252 334 E HN 0.292 nan 8.360 nan 0.000 0.449 335 K N 1.910 122.092 120.400 -0.362 0.000 2.535 335 K HA 0.219 4.568 4.320 0.047 0.000 0.251 335 K C -0.981 175.349 176.600 -0.450 0.000 0.942 335 K CA -0.505 55.358 56.287 -0.708 0.000 0.798 335 K CB 0.904 32.355 32.500 -1.749 0.000 1.267 335 K HN 0.518 nan 8.250 nan 0.000 0.434 336 N N 2.552 121.073 118.700 -0.299 0.000 2.716 336 N HA -0.237 4.532 4.740 0.047 0.000 0.250 336 N C 0.627 176.069 175.510 -0.114 0.000 1.033 336 N CA 1.746 54.688 53.050 -0.179 0.000 0.727 336 N CB -1.280 37.105 38.487 -0.169 0.000 0.950 336 N HN 1.109 nan 8.380 nan 0.000 0.541 337 G N -1.625 107.120 108.800 -0.091 0.000 2.347 337 G HA2 -0.364 3.624 3.960 0.047 0.000 0.247 337 G HA3 -0.364 3.624 3.960 0.047 0.000 0.247 337 G C -0.049 174.847 174.900 -0.006 0.000 1.037 337 G CA 0.563 45.639 45.100 -0.040 0.000 0.622 337 G HN 0.441 nan 8.290 nan 0.000 0.521 338 Q N 1.737 121.536 119.800 -0.002 0.000 2.286 338 Q HA 0.446 4.815 4.340 0.047 0.000 0.257 338 Q C -2.268 173.859 176.000 0.211 0.000 0.941 338 Q CA -1.721 54.136 55.803 0.090 0.000 0.912 338 Q CB 1.216 30.026 28.738 0.119 0.000 1.192 338 Q HN 0.333 nan 8.270 nan 0.000 0.410 339 P HA 0.047 nan 4.420 nan 0.000 0.274 339 P C -0.409 177.049 177.300 0.264 0.000 1.231 339 P CA -0.635 62.594 63.100 0.215 0.000 0.790 339 P CB 0.491 32.255 31.700 0.107 0.000 0.951 340 L N 2.917 124.238 121.223 0.164 0.000 2.387 340 L HA 0.278 4.647 4.340 0.047 0.000 0.267 340 L C 0.274 177.063 176.870 -0.134 0.000 1.197 340 L CA 0.161 54.872 54.840 -0.215 0.000 1.070 340 L CB -1.316 40.503 42.059 -0.400 0.000 1.349 340 L HN 0.245 nan 8.230 nan 0.000 0.422 341 R N 4.342 124.797 120.500 -0.075 0.000 2.562 341 R HA 0.774 5.143 4.340 0.047 0.000 0.298 341 R C -1.419 174.847 176.300 -0.056 0.000 0.961 341 R CA -0.617 55.458 56.100 -0.042 0.000 0.881 341 R CB 1.138 31.441 30.300 0.005 0.000 1.159 341 R HN 0.598 nan 8.270 nan 0.000 0.450 342 I N 2.599 123.140 120.570 -0.047 0.000 2.569 342 I HA 0.253 4.452 4.170 0.047 0.000 0.290 342 I C -0.565 175.551 176.117 -0.001 0.000 1.088 342 I CA -0.761 60.517 61.300 -0.038 0.000 1.047 342 I CB 2.455 40.416 38.000 -0.066 0.000 1.237 342 I HN 0.534 nan 8.210 nan 0.000 0.421 343 E N 4.983 125.197 120.200 0.022 0.000 2.227 343 E HA 0.417 4.796 4.350 0.047 0.000 0.282 343 E C -1.222 175.426 176.600 0.079 0.000 1.015 343 E CA -0.834 55.597 56.400 0.052 0.000 0.823 343 E CB 2.409 32.142 29.700 0.056 0.000 1.081 343 E HN 0.210 nan 8.360 nan 0.000 0.396 344 L N 2.889 124.175 121.223 0.105 0.000 2.298 344 L HA 0.285 4.654 4.340 0.047 0.000 0.284 344 L C -0.747 176.280 176.870 0.263 0.000 1.013 344 L CA -0.421 54.498 54.840 0.132 0.000 0.824 344 L CB 1.277 43.390 42.059 0.090 0.000 1.221 344 L HN 0.417 nan 8.230 nan 0.000 0.418 345 S N 4.607 120.437 115.700 0.218 0.000 2.509 345 S HA 0.913 5.412 4.470 0.047 0.000 0.297 345 S C -0.510 174.284 174.600 0.323 0.000 1.118 345 S CA -0.570 57.729 58.200 0.165 0.000 1.074 345 S CB 1.166 64.400 63.200 0.056 0.000 1.038 345 S HN 0.614 nan 8.310 nan 0.000 0.498 346 F N -1.449 118.566 119.950 0.109 0.000 2.779 346 F HA 0.633 5.189 4.527 0.047 0.000 0.316 346 F C -1.419 174.379 175.800 -0.003 0.000 1.164 346 F CA -1.752 56.319 58.000 0.118 0.000 0.924 346 F CB 0.696 39.803 39.000 0.178 0.000 1.348 346 F HN 0.423 nan 8.300 nan 0.000 0.467 347 I N 2.219 122.823 120.570 0.057 0.000 2.379 347 I HA 0.225 4.424 4.170 0.047 0.000 0.290 347 I C 1.381 177.474 176.117 -0.039 0.000 1.063 347 I CA 0.114 61.358 61.300 -0.093 0.000 1.351 347 I CB 1.004 38.956 38.000 -0.080 0.000 1.410 347 I HN 1.015 nan 8.210 nan 0.000 0.505 348 G N 3.835 112.513 108.800 -0.203 0.000 2.448 348 G HA2 -0.230 3.758 3.960 0.047 0.000 0.219 348 G HA3 -0.230 3.758 3.960 0.047 0.000 0.219 348 G C 1.420 176.330 174.900 0.017 0.000 1.127 348 G CA 1.214 46.237 45.100 -0.128 0.000 0.766 348 G HN 0.677 nan 8.290 nan 0.000 0.552 349 T N -2.381 112.159 114.554 -0.023 0.000 3.129 349 T HA 0.095 4.474 4.350 0.047 0.000 0.251 349 T C 0.623 175.315 174.700 -0.013 0.000 1.117 349 T CA 0.252 62.341 62.100 -0.018 0.000 1.034 349 T CB 0.297 69.139 68.868 -0.043 0.000 0.968 349 T HN 0.106 nan 8.240 nan 0.000 0.526 350 D N 1.377 121.779 120.400 0.004 0.000 2.411 350 D HA 0.506 5.174 4.640 0.047 0.000 0.225 350 D C 1.282 177.557 176.300 -0.040 0.000 1.156 350 D CA -0.199 53.780 54.000 -0.036 0.000 0.874 350 D CB 1.168 41.936 40.800 -0.054 0.000 1.034 350 D HN 0.187 nan 8.370 nan 0.000 0.502 351 A N 4.788 127.575 122.820 -0.056 0.000 1.978 351 A HA -0.150 4.199 4.320 0.047 0.000 0.220 351 A C 2.146 179.664 177.584 -0.109 0.000 1.170 351 A CA 0.768 52.767 52.037 -0.062 0.000 0.636 351 A CB -0.395 18.571 19.000 -0.057 0.000 0.810 351 A HN 0.699 nan 8.150 nan 0.000 0.448 352 L N -0.686 120.456 121.223 -0.136 0.000 2.072 352 L HA -0.119 4.249 4.340 0.047 0.000 0.205 352 L C 2.686 179.397 176.870 -0.265 0.000 1.079 352 L CA 1.631 56.368 54.840 -0.171 0.000 0.752 352 L CB -0.326 41.632 42.059 -0.167 0.000 0.906 352 L HN 0.378 nan 8.230 nan 0.000 0.436 353 S N -0.128 115.371 115.700 -0.335 0.000 2.370 353 S HA -0.281 4.218 4.470 0.047 0.000 0.226 353 S C 1.855 176.075 174.600 -0.633 0.000 1.033 353 S CA 1.824 59.660 58.200 -0.606 0.000 1.011 353 S CB -0.211 62.716 63.200 -0.456 0.000 0.852 353 S HN 0.348 nan 8.310 nan 0.000 0.457 354 K N 1.234 121.395 120.400 -0.398 0.000 2.057 354 K HA -0.116 4.233 4.320 0.047 0.000 0.207 354 K C 2.344 178.744 176.600 -0.333 0.000 1.049 354 K CA 1.625 57.644 56.287 -0.447 0.000 0.931 354 K CB -0.257 32.206 32.500 -0.063 0.000 0.714 354 K HN 0.464 nan 8.250 nan 0.000 0.440 355 S N 0.212 115.782 115.700 -0.218 0.000 2.406 355 S HA -0.118 4.381 4.470 0.047 0.000 0.228 355 S C 2.049 176.566 174.600 -0.140 0.000 1.020 355 S CA 0.877 58.992 58.200 -0.142 0.000 0.965 355 S CB -0.220 62.918 63.200 -0.104 0.000 0.798 355 S HN 0.281 nan 8.310 nan 0.000 0.488 356 M N 1.575 121.069 119.600 -0.178 0.000 2.099 356 M HA 0.047 4.556 4.480 0.047 0.000 0.262 356 M C 2.800 179.108 176.300 0.013 0.000 1.067 356 M CA 1.525 56.782 55.300 -0.072 0.000 1.124 356 M CB -0.758 31.794 32.600 -0.080 0.000 1.353 356 M HN 0.543 nan 8.290 nan 0.000 0.410 357 A N 0.254 123.036 122.820 -0.064 0.000 1.940 357 A HA -0.185 4.164 4.320 0.047 0.000 0.219 357 A C 2.001 179.527 177.584 -0.097 0.000 1.176 357 A CA 1.646 53.632 52.037 -0.085 0.000 0.631 357 A CB -0.632 18.041 19.000 -0.545 0.000 0.814 357 A HN 0.461 nan 8.150 nan 0.000 0.446 358 E N -0.212 119.914 120.200 -0.122 0.000 2.072 358 E HA -0.145 4.234 4.350 0.047 0.000 0.191 358 E C 2.027 178.600 176.600 -0.044 0.000 0.985 358 E CA 1.137 57.498 56.400 -0.065 0.000 0.801 358 E CB -0.366 29.299 29.700 -0.058 0.000 0.750 358 E HN 0.745 nan 8.360 nan 0.000 0.452 359 I N 0.979 121.521 120.570 -0.047 0.000 2.163 359 I HA -0.294 3.904 4.170 0.047 0.000 0.243 359 I C 2.486 178.583 176.117 -0.034 0.000 1.085 359 I CA 1.115 62.391 61.300 -0.040 0.000 1.347 359 I CB -0.293 37.680 38.000 -0.046 0.000 1.044 359 I HN 0.040 nan 8.210 nan 0.000 0.408 360 I N 0.199 120.750 120.570 -0.032 0.000 2.226 360 I HA -0.329 3.869 4.170 0.047 0.000 0.245 360 I C 2.736 178.834 176.117 -0.033 0.000 1.100 360 I CA 1.416 62.692 61.300 -0.040 0.000 1.374 360 I CB -0.421 37.537 38.000 -0.070 0.000 1.057 360 I HN 0.340 nan 8.210 nan 0.000 0.413 361 Q N 1.160 120.943 119.800 -0.028 0.000 2.096 361 Q HA -0.261 4.107 4.340 0.047 0.000 0.204 361 Q C 2.281 178.276 176.000 -0.009 0.000 0.982 361 Q CA 2.115 57.909 55.803 -0.015 0.000 0.850 361 Q CB -0.116 28.620 28.738 -0.003 0.000 0.901 361 Q HN 0.554 nan 8.270 nan 0.000 0.422 362 A N 0.803 123.617 122.820 -0.010 0.000 1.898 362 A HA -0.188 4.160 4.320 0.047 0.000 0.216 362 A C 1.659 179.247 177.584 0.006 0.000 1.181 362 A CA 1.661 53.696 52.037 -0.003 0.000 0.620 362 A CB -0.552 18.443 19.000 -0.009 0.000 0.819 362 A HN 0.465 nan 8.150 nan 0.000 0.442 363 D N -0.586 119.817 120.400 0.005 0.000 2.144 363 D HA -0.133 4.535 4.640 0.047 0.000 0.199 363 D C 1.874 178.198 176.300 0.040 0.000 0.984 363 D CA 1.211 55.232 54.000 0.035 0.000 0.834 363 D CB -0.302 40.515 40.800 0.029 0.000 0.955 363 D HN 0.229 nan 8.370 nan 0.000 0.465 364 M N -0.061 119.546 119.600 0.011 0.000 2.108 364 M HA -0.087 4.422 4.480 0.047 0.000 0.261 364 M C 2.076 178.372 176.300 -0.007 0.000 1.066 364 M CA 1.152 56.448 55.300 -0.006 0.000 1.107 364 M CB -0.872 31.712 32.600 -0.027 0.000 1.356 364 M HN -0.048 nan 8.290 nan 0.000 0.406 365 R N -0.320 120.179 120.500 -0.000 0.000 2.148 365 R HA -0.110 4.258 4.340 0.047 0.000 0.227 365 R C 1.985 178.290 176.300 0.010 0.000 1.103 365 R CA 0.891 56.992 56.100 0.002 0.000 0.983 365 R CB 0.085 30.388 30.300 0.005 0.000 0.874 365 R HN 0.349 nan 8.270 nan 0.000 0.451 366 Q N 0.338 120.150 119.800 0.020 0.000 2.364 366 Q HA -0.122 4.247 4.340 0.047 0.000 0.207 366 Q C 1.652 177.663 176.000 0.019 0.000 0.970 366 Q CA 1.143 56.963 55.803 0.028 0.000 0.888 366 Q CB 0.132 28.902 28.738 0.052 0.000 0.951 366 Q HN 0.585 nan 8.270 nan 0.000 0.469 367 I N -5.133 115.444 120.570 0.012 0.000 3.974 367 I HA 0.458 4.657 4.170 0.047 0.000 0.334 367 I C 0.860 176.973 176.117 -0.008 0.000 1.437 367 I CA 0.362 61.662 61.300 -0.001 0.000 1.113 367 I CB 0.536 38.533 38.000 -0.005 0.000 1.063 367 I HN 0.031 nan 8.210 nan 0.000 0.400 368 G N 1.233 110.031 108.800 -0.004 0.000 2.137 368 G HA2 -0.129 3.860 3.960 0.047 0.000 0.237 368 G HA3 -0.129 3.860 3.960 0.047 0.000 0.237 368 G C 0.227 175.112 174.900 -0.024 0.000 1.002 368 G CA -0.048 45.052 45.100 -0.000 0.000 0.702 368 G HN 0.985 nan 8.290 nan 0.000 0.515 369 A N -0.110 122.680 122.820 -0.050 0.000 2.292 369 A HA 0.642 4.991 4.320 0.047 0.000 0.319 369 A C -0.219 177.336 177.584 -0.049 0.000 1.206 369 A CA -0.009 51.976 52.037 -0.086 0.000 0.835 369 A CB 1.033 19.961 19.000 -0.120 0.000 1.164 369 A HN 0.351 nan 8.150 nan 0.000 0.505 370 D N 2.643 123.015 120.400 -0.046 0.000 2.428 370 D HA 0.393 5.061 4.640 0.047 0.000 0.221 370 D C -0.730 175.557 176.300 -0.022 0.000 1.123 370 D CA 0.061 54.049 54.000 -0.020 0.000 0.869 370 D CB 0.897 41.695 40.800 -0.004 0.000 1.032 370 D HN 0.137 nan 8.370 nan 0.000 0.506 371 V N 3.137 123.042 119.914 -0.014 0.000 2.432 371 V HA 0.309 4.457 4.120 0.047 0.000 0.275 371 V C 0.497 176.604 176.094 0.022 0.000 1.043 371 V CA -0.515 61.782 62.300 -0.004 0.000 0.925 371 V CB 1.401 33.218 31.823 -0.011 0.000 0.985 371 V HN 0.545 nan 8.190 nan 0.000 0.466 372 S N 5.240 120.962 115.700 0.036 0.000 2.437 372 S HA 0.605 5.103 4.470 0.047 0.000 0.305 372 S C -0.678 173.984 174.600 0.102 0.000 1.109 372 S CA -0.650 57.584 58.200 0.057 0.000 1.099 372 S CB 0.645 63.870 63.200 0.042 0.000 1.004 372 S HN 0.446 nan 8.310 nan 0.000 0.475 373 L N 5.774 127.084 121.223 0.144 0.000 2.281 373 L HA 0.459 4.828 4.340 0.047 0.000 0.285 373 L C -0.308 176.675 176.870 0.189 0.000 1.074 373 L CA 0.064 55.077 54.840 0.289 0.000 0.817 373 L CB 0.906 43.187 42.059 0.370 0.000 1.168 373 L HN 0.576 nan 8.230 nan 0.000 0.434 374 I N 3.733 124.371 120.570 0.113 0.000 2.464 374 I HA 0.328 4.527 4.170 0.047 0.000 0.277 374 I C 0.667 176.483 176.117 -0.502 0.000 1.040 374 I CA -0.357 60.878 61.300 -0.108 0.000 1.153 374 I CB 1.051 39.023 38.000 -0.047 0.000 1.274 374 I HN 0.582 nan 8.210 nan 0.000 0.469 375 G N 5.707 114.101 108.800 -0.678 0.000 2.329 375 G HA2 0.626 4.614 3.960 0.047 0.000 0.309 375 G HA3 0.626 4.614 3.960 0.047 0.000 0.309 375 G C -0.276 174.335 174.900 -0.482 0.000 1.110 375 G CA -0.198 44.242 45.100 -1.100 0.000 0.923 375 G HN 0.564 nan 8.290 nan 0.000 0.430 376 E N 0.654 120.596 120.200 -0.429 0.000 2.410 376 E HA 0.235 4.614 4.350 0.047 0.000 0.269 376 E C -0.329 176.140 176.600 -0.218 0.000 0.937 376 E CA -0.861 55.391 56.400 -0.247 0.000 0.793 376 E CB 2.138 31.721 29.700 -0.195 0.000 1.314 376 E HN 0.739 nan 8.360 nan 0.000 0.447 377 E N 0.837 120.935 120.200 -0.169 0.000 2.408 377 E HA -0.009 4.369 4.350 0.047 0.000 0.259 377 E C 0.506 176.965 176.600 -0.236 0.000 1.110 377 E CA -0.173 56.126 56.400 -0.169 0.000 0.929 377 E CB 0.995 30.620 29.700 -0.125 0.000 0.971 377 E HN 0.619 nan 8.360 nan 0.000 0.438 378 E N 1.282 121.309 120.200 -0.289 0.000 2.065 378 E HA -0.319 4.059 4.350 0.047 0.000 0.201 378 E C 1.950 178.155 176.600 -0.659 0.000 1.016 378 E CA 1.984 58.060 56.400 -0.541 0.000 0.818 378 E CB -0.149 29.261 29.700 -0.483 0.000 0.749 378 E HN 0.634 nan 8.360 nan 0.000 0.453 379 S N -0.548 114.947 115.700 -0.342 0.000 2.383 379 S HA -0.156 4.343 4.470 0.047 0.000 0.229 379 S C 2.039 176.565 174.600 -0.124 0.000 1.030 379 S CA 1.748 59.839 58.200 -0.181 0.000 1.002 379 S CB -0.219 62.945 63.200 -0.061 0.000 0.829 379 S HN 0.259 nan 8.310 nan 0.000 0.467 380 S N 1.196 116.812 115.700 -0.140 0.000 2.402 380 S HA 0.062 4.560 4.470 0.047 0.000 0.229 380 S C 1.716 176.272 174.600 -0.073 0.000 1.021 380 S CA 0.964 59.114 58.200 -0.084 0.000 0.974 380 S CB -0.263 62.882 63.200 -0.091 0.000 0.800 380 S HN 0.464 nan 8.310 nan 0.000 0.484 381 I N 0.589 121.068 120.570 -0.152 0.000 2.286 381 I HA -0.060 4.138 4.170 0.047 0.000 0.245 381 I C 1.915 178.054 176.117 0.036 0.000 1.104 381 I CA 1.186 62.430 61.300 -0.093 0.000 1.397 381 I CB -1.381 36.520 38.000 -0.165 0.000 1.072 381 I HN 0.254 nan 8.210 nan 0.000 0.417 382 Y N 1.331 121.612 120.300 -0.032 0.000 2.293 382 Y HA -0.059 4.519 4.550 0.047 0.000 0.291 382 Y C 2.692 178.581 175.900 -0.019 0.000 1.137 382 Y CA 0.563 58.639 58.100 -0.039 0.000 1.202 382 Y CB -1.388 37.043 38.460 -0.048 0.000 0.990 382 Y HN 0.119 nan 8.280 nan 0.000 0.537 383 A N 0.288 123.197 122.820 0.148 0.000 1.930 383 A HA -0.186 4.163 4.320 0.047 0.000 0.217 383 A C 2.374 180.023 177.584 0.109 0.000 1.175 383 A CA 1.446 53.542 52.037 0.098 0.000 0.627 383 A CB -0.524 18.511 19.000 0.058 0.000 0.815 383 A HN 0.381 nan 8.150 nan 0.000 0.443 384 R N -0.612 119.957 120.500 0.116 0.000 2.081 384 R HA -0.146 4.223 4.340 0.047 0.000 0.235 384 R C 2.474 178.950 176.300 0.293 0.000 1.131 384 R CA 1.636 57.846 56.100 0.184 0.000 0.960 384 R CB -0.354 30.051 30.300 0.175 0.000 0.856 384 R HN 0.675 nan 8.270 nan 0.000 0.436 385 Q N 0.111 120.015 119.800 0.174 0.000 2.096 385 Q HA -0.164 4.204 4.340 0.047 0.000 0.204 385 Q C 2.142 178.272 176.000 0.217 0.000 0.982 385 Q CA 1.487 57.364 55.803 0.123 0.000 0.850 385 Q CB -0.054 28.677 28.738 -0.012 0.000 0.901 385 Q HN 0.315 nan 8.270 nan 0.000 0.422 386 R N -0.038 120.551 120.500 0.147 0.000 2.115 386 R HA -0.084 4.285 4.340 0.047 0.000 0.226 386 R C 0.821 177.203 176.300 0.137 0.000 1.100 386 R CA 1.206 57.378 56.100 0.120 0.000 0.980 386 R CB 0.111 30.453 30.300 0.070 0.000 0.875 386 R HN 0.147 nan 8.270 nan 0.000 0.445 387 D N -1.493 118.992 120.400 0.142 0.000 2.479 387 D HA 0.125 4.794 4.640 0.047 0.000 0.218 387 D C 0.455 176.799 176.300 0.073 0.000 1.177 387 D CA 0.467 54.527 54.000 0.100 0.000 0.830 387 D CB 0.740 41.579 40.800 0.065 0.000 1.014 387 D HN 0.272 nan 8.370 nan 0.000 0.503 388 G N 1.445 110.312 108.800 0.110 0.000 2.153 388 G HA2 -0.349 3.639 3.960 0.047 0.000 0.252 388 G HA3 -0.349 3.639 3.960 0.047 0.000 0.252 388 G C 0.577 175.297 174.900 -0.300 0.000 0.994 388 G CA -0.133 44.853 45.100 -0.190 0.000 0.698 388 G HN 0.365 nan 8.290 nan 0.000 0.521 389 R N 0.058 120.550 120.500 -0.013 0.000 4.164 389 R HA 0.475 4.843 4.340 0.047 0.000 0.195 389 R C -0.051 176.341 176.300 0.153 0.000 1.712 389 R CA 0.458 56.567 56.100 0.015 0.000 1.457 389 R CB -0.667 29.667 30.300 0.058 0.000 1.387 389 R HN 0.596 nan 8.270 nan 0.000 0.785 390 F N -4.513 115.437 119.950 0.000 0.000 2.693 390 F HA 0.525 5.080 4.527 0.045 0.000 0.309 390 F C 0.504 176.294 175.800 -0.016 0.000 1.129 390 F CA -1.281 56.716 58.000 -0.004 0.000 0.948 390 F CB 0.595 39.597 39.000 0.003 0.000 1.315 390 F HN -0.025 nan 8.300 nan 0.000 0.447 391 G N 0.816 109.743 108.800 0.212 0.000 2.524 391 G HA2 0.355 4.344 3.960 0.047 0.000 0.210 391 G HA3 0.355 4.344 3.960 0.047 0.000 0.210 391 G C -0.094 174.938 174.900 0.220 0.000 1.187 391 G CA -0.002 45.160 45.100 0.103 0.000 0.825 391 G HN 0.487 nan 8.290 nan 0.000 0.558 392 M N -0.001 119.725 119.600 0.210 0.000 2.501 392 M HA 0.604 5.113 4.480 0.047 0.000 0.293 392 M C -1.714 174.587 176.300 0.001 0.000 1.192 392 M CA -0.509 54.852 55.300 0.101 0.000 0.886 392 M CB 3.300 35.872 32.600 -0.048 0.000 1.710 392 M HN 0.099 nan 8.290 nan 0.000 0.457 393 I N 0.812 121.267 120.570 -0.192 0.000 2.802 393 I HA 0.528 4.727 4.170 0.047 0.000 0.298 393 I C -1.398 174.606 176.117 -0.187 0.000 1.176 393 I CA -0.658 60.497 61.300 -0.242 0.000 1.025 393 I CB 2.118 39.746 38.000 -0.621 0.000 1.243 393 I HN 0.549 nan 8.210 nan 0.000 0.424 394 F N 5.352 125.302 119.950 -0.001 0.000 2.471 394 F HA 0.312 4.869 4.527 0.050 0.000 0.353 394 F C 0.324 176.191 175.800 0.113 0.000 1.113 394 F CA 0.857 58.885 58.000 0.046 0.000 1.262 394 F CB 0.405 39.437 39.000 0.055 0.000 1.146 394 F HN 0.481 nan 8.300 nan 0.000 0.578 395 H N 2.141 121.326 119.070 0.191 0.000 2.960 395 H HA 0.680 5.264 4.556 0.046 0.000 0.323 395 H C -1.272 174.114 175.328 0.097 0.000 1.326 395 H CA -1.311 54.819 56.048 0.137 0.000 1.124 395 H CB 1.715 31.554 29.762 0.128 0.000 1.853 395 H HN 0.632 nan 8.280 nan 0.000 0.536 396 R N -0.189 120.156 120.500 -0.259 0.000 2.692 396 R HA 0.498 4.866 4.340 0.047 0.000 0.269 396 R C -0.964 175.020 176.300 -0.527 0.000 1.030 396 R CA -0.550 55.377 56.100 -0.288 0.000 0.882 396 R CB 1.017 31.280 30.300 -0.062 0.000 1.250 396 R HN 0.716 nan 8.270 nan 0.000 0.465 397 T N -2.529 111.649 114.554 -0.627 0.000 2.770 397 T HA 0.296 4.675 4.350 0.047 0.000 0.281 397 T C 0.081 174.701 174.700 -0.133 0.000 0.981 397 T CA -0.508 61.036 62.100 -0.926 0.000 0.955 397 T CB 0.582 68.867 68.868 -0.972 0.000 1.060 397 T HN 0.663 nan 8.240 nan 0.000 0.531 398 W N 0.346 121.544 121.300 -0.170 0.000 3.127 398 W HA 0.505 5.197 4.660 0.052 0.000 0.344 398 W C 1.325 177.866 176.519 0.037 0.000 1.151 398 W CA -0.043 57.245 57.345 -0.095 0.000 1.765 398 W CB -1.378 27.972 29.460 -0.183 0.000 1.085 398 W HN 1.396 nan 8.180 nan 0.000 0.596 399 G N 1.085 110.044 108.800 0.264 0.000 2.829 399 G HA2 0.098 4.086 3.960 0.047 0.000 0.628 399 G HA3 0.098 4.086 3.960 0.047 0.000 0.628 399 G C 0.037 175.111 174.900 0.289 0.000 1.412 399 G CA -0.672 44.564 45.100 0.226 0.000 0.864 399 G HN 0.441 nan 8.290 nan 0.000 0.544 400 A N 0.787 123.712 122.820 0.175 0.000 2.445 400 A HA 0.675 5.023 4.320 0.047 0.000 0.242 400 A C -0.516 177.040 177.584 -0.046 0.000 1.075 400 A CA -0.057 52.025 52.037 0.074 0.000 0.777 400 A CB 0.522 19.613 19.000 0.152 0.000 1.013 400 A HN 0.828 nan 8.150 nan 0.000 0.493 401 P HA 0.128 nan 4.420 nan 0.000 0.263 401 P C -0.058 177.143 177.300 -0.165 0.000 1.448 401 P CA 0.417 63.190 63.100 -0.544 0.000 0.983 401 P CB -0.097 30.897 31.700 -1.178 0.000 1.481 402 Y N -0.160 120.186 120.300 0.078 0.000 2.395 402 Y HA 0.030 4.608 4.550 0.047 0.000 0.293 402 Y C 0.860 176.801 175.900 0.069 0.000 1.123 402 Y CA 0.523 58.724 58.100 0.167 0.000 1.227 402 Y CB -0.383 38.359 38.460 0.471 0.000 1.012 402 Y HN -0.054 nan 8.280 nan 0.000 0.552 403 D N 0.987 121.511 120.400 0.206 0.000 2.249 403 D HA 0.131 4.799 4.640 0.047 0.000 0.246 403 D C -1.617 174.560 176.300 -0.205 0.000 1.114 403 D CA -1.966 52.011 54.000 -0.038 0.000 0.854 403 D CB 1.381 42.193 40.800 0.020 0.000 1.132 403 D HN 0.082 nan 8.370 nan 0.000 0.461 404 P HA -0.042 nan 4.420 nan 0.000 0.245 404 P C 1.192 178.440 177.300 -0.086 0.000 1.199 404 P CA 0.479 63.199 63.100 -0.634 0.000 0.807 404 P CB 0.270 31.358 31.700 -1.020 0.000 1.002 405 H N 0.949 120.049 119.070 0.051 0.000 2.353 405 H HA 0.040 4.624 4.556 0.047 0.000 0.300 405 H C 1.519 176.994 175.328 0.245 0.000 1.090 405 H CA 1.789 57.959 56.048 0.204 0.000 1.327 405 H CB -0.809 29.042 29.762 0.148 0.000 1.383 405 H HN 0.025 nan 8.280 nan 0.000 0.508 406 A N 0.679 123.009 122.820 -0.816 0.000 1.970 406 A HA -0.011 4.338 4.320 0.047 0.000 0.216 406 A C 2.391 180.063 177.584 0.146 0.000 1.170 406 A CA 0.597 52.522 52.037 -0.187 0.000 0.645 406 A CB -1.112 18.020 19.000 0.219 0.000 0.816 406 A HN 0.419 nan 8.150 nan 0.000 0.447 407 F N 0.166 120.051 119.950 -0.109 0.000 2.102 407 F HA -0.174 4.380 4.527 0.045 0.000 0.298 407 F C 1.853 177.589 175.800 -0.108 0.000 1.105 407 F CA 1.478 59.220 58.000 -0.431 0.000 1.239 407 F CB -0.055 38.750 39.000 -0.326 0.000 0.991 407 F HN 0.157 nan 8.300 nan 0.000 0.474 408 L N -0.305 121.021 121.223 0.172 0.000 2.017 408 L HA -0.197 4.171 4.340 0.047 0.000 0.208 408 L C 2.782 179.713 176.870 0.102 0.000 1.073 408 L CA 1.936 56.883 54.840 0.178 0.000 0.745 408 L CB -1.604 40.648 42.059 0.322 0.000 0.894 408 L HN 0.223 nan 8.230 nan 0.000 0.432 409 S N -0.639 115.142 115.700 0.134 0.000 2.380 409 S HA -0.245 4.253 4.470 0.047 0.000 0.229 409 S C 2.268 176.920 174.600 0.087 0.000 1.043 409 S CA 1.928 60.216 58.200 0.146 0.000 1.038 409 S CB -0.344 62.981 63.200 0.207 0.000 0.872 409 S HN 0.671 nan 8.310 nan 0.000 0.456 410 S N 0.736 116.464 115.700 0.046 0.000 2.447 410 S HA 0.003 4.502 4.470 0.047 0.000 0.233 410 S C 1.807 176.367 174.600 -0.067 0.000 1.006 410 S CA 1.087 59.282 58.200 -0.007 0.000 0.957 410 S CB -0.623 62.651 63.200 0.124 0.000 0.773 410 S HN 0.610 nan 8.310 nan 0.000 0.507 411 M N 0.794 120.372 119.600 -0.038 0.000 2.446 411 M HA 0.023 4.531 4.480 0.047 0.000 0.263 411 M C 2.135 178.561 176.300 0.211 0.000 1.066 411 M CA 1.074 56.414 55.300 0.067 0.000 1.087 411 M CB -0.327 32.318 32.600 0.075 0.000 1.406 411 M HN 0.312 nan 8.290 nan 0.000 0.459 412 R N -0.344 120.245 120.500 0.149 0.000 2.276 412 R HA 0.134 4.502 4.340 0.047 0.000 0.196 412 R C 0.101 176.441 176.300 0.067 0.000 0.961 412 R CA 0.062 56.285 56.100 0.204 0.000 1.024 412 R CB 0.123 30.488 30.300 0.109 0.000 0.940 412 R HN 0.131 nan 8.270 nan 0.000 0.480 413 V N 2.841 122.718 119.914 -0.062 0.000 2.432 413 V HA 0.094 4.242 4.120 0.047 0.000 0.271 413 V C -1.622 174.264 176.094 -0.346 0.000 1.046 413 V CA -1.225 60.933 62.300 -0.237 0.000 0.945 413 V CB 1.548 33.139 31.823 -0.388 0.000 0.992 413 V HN -0.044 nan 8.190 nan 0.000 0.471 414 P HA -0.082 nan 4.420 nan 0.000 0.221 414 P C 1.319 178.465 177.300 -0.257 0.000 1.150 414 P CA 0.935 63.433 63.100 -1.004 0.000 0.800 414 P CB 0.195 31.381 31.700 -0.856 0.000 0.787 415 S N -2.062 113.593 115.700 -0.074 0.000 2.763 415 S HA 0.057 4.555 4.470 0.047 0.000 0.237 415 S C 0.266 175.011 174.600 0.242 0.000 0.966 415 S CA -0.186 58.064 58.200 0.084 0.000 1.017 415 S CB -1.171 62.066 63.200 0.061 0.000 0.780 415 S HN 0.100 nan 8.310 nan 0.000 0.476 416 H N -0.302 118.807 119.070 0.065 0.000 2.621 416 H HA 0.735 5.319 4.556 0.047 0.000 0.360 416 H C 1.079 176.491 175.328 0.140 0.000 1.163 416 H CA -0.245 55.858 56.048 0.092 0.000 1.194 416 H CB 1.631 31.460 29.762 0.112 0.000 1.649 416 H HN 0.135 nan 8.280 nan 0.000 0.532 417 A N 1.617 124.504 122.820 0.110 0.000 1.933 417 A HA -0.159 4.189 4.320 0.047 0.000 0.218 417 A C 1.595 179.301 177.584 0.204 0.000 1.175 417 A CA 1.901 53.981 52.037 0.072 0.000 0.628 417 A CB -0.248 18.530 19.000 -0.371 0.000 0.814 417 A HN 0.804 nan 8.150 nan 0.000 0.444 418 D N -1.312 119.216 120.400 0.214 0.000 2.144 418 D HA -0.114 4.554 4.640 0.047 0.000 0.200 418 D C 1.669 178.101 176.300 0.221 0.000 0.978 418 D CA 1.256 55.417 54.000 0.268 0.000 0.833 418 D CB -0.271 40.667 40.800 0.231 0.000 0.961 418 D HN 0.530 nan 8.370 nan 0.000 0.470 419 F N 2.261 122.283 119.950 0.121 0.000 2.134 419 F HA -0.184 4.374 4.527 0.052 0.000 0.299 419 F C 2.445 178.290 175.800 0.075 0.000 1.097 419 F CA 1.269 59.318 58.000 0.082 0.000 1.264 419 F CB -0.018 39.024 39.000 0.070 0.000 1.001 419 F HN -0.225 nan 8.300 nan 0.000 0.479 420 Q N 0.577 120.588 119.800 0.351 0.000 2.084 420 Q HA -0.158 4.211 4.340 0.047 0.000 0.202 420 Q C 2.513 178.518 176.000 0.009 0.000 0.978 420 Q CA 1.543 57.459 55.803 0.189 0.000 0.844 420 Q CB -1.099 27.801 28.738 0.271 0.000 0.898 420 Q HN 0.555 nan 8.270 nan 0.000 0.426 421 A N 0.763 123.671 122.820 0.147 0.000 1.969 421 A HA -0.175 4.173 4.320 0.047 0.000 0.218 421 A C 1.856 179.375 177.584 -0.107 0.000 1.169 421 A CA 1.232 53.306 52.037 0.061 0.000 0.635 421 A CB -0.265 18.808 19.000 0.121 0.000 0.810 421 A HN 0.373 nan 8.150 nan 0.000 0.445 422 Q N -1.141 118.568 119.800 -0.151 0.000 2.360 422 Q HA 0.027 4.395 4.340 0.047 0.000 0.202 422 Q C 1.877 177.710 176.000 -0.278 0.000 0.915 422 Q CA 0.016 55.697 55.803 -0.203 0.000 0.943 422 Q CB 0.163 28.791 28.738 -0.182 0.000 1.064 422 Q HN 0.642 nan 8.270 nan 0.000 0.511 423 Q N 0.178 119.777 119.800 -0.334 0.000 2.226 423 Q HA -0.106 4.263 4.340 0.047 0.000 0.204 423 Q C 1.561 177.434 176.000 -0.212 0.000 0.975 423 Q CA 1.433 57.009 55.803 -0.379 0.000 0.866 423 Q CB -0.009 28.549 28.738 -0.300 0.000 0.915 423 Q HN 0.473 nan 8.270 nan 0.000 0.440 424 G N 0.103 108.806 108.800 -0.161 0.000 2.848 424 G HA2 0.093 4.082 3.960 0.047 0.000 0.208 424 G HA3 0.093 4.082 3.960 0.047 0.000 0.208 424 G C 0.526 175.372 174.900 -0.089 0.000 1.152 424 G CA -0.262 44.773 45.100 -0.108 0.000 0.789 424 G HN 0.163 nan 8.290 nan 0.000 0.531 425 L N 0.593 121.754 121.223 -0.103 0.000 2.349 425 L HA 0.366 4.734 4.340 0.047 0.000 0.275 425 L C 1.854 178.692 176.870 -0.054 0.000 1.115 425 L CA -0.640 54.157 54.840 -0.072 0.000 0.820 425 L CB 1.547 43.564 42.059 -0.071 0.000 1.135 425 L HN 0.105 nan 8.230 nan 0.000 0.445 426 A N 1.951 124.752 122.820 -0.033 0.000 1.972 426 A HA -0.173 4.175 4.320 0.047 0.000 0.219 426 A C 1.373 178.948 177.584 -0.015 0.000 1.169 426 A CA 1.645 53.669 52.037 -0.020 0.000 0.635 426 A CB -0.419 18.575 19.000 -0.010 0.000 0.810 426 A HN 0.902 nan 8.150 nan 0.000 0.446 427 D N -1.062 119.330 120.400 -0.014 0.000 2.358 427 D HA 0.052 4.720 4.640 0.047 0.000 0.224 427 D C 1.170 177.465 176.300 -0.008 0.000 1.123 427 D CA 0.347 54.346 54.000 -0.003 0.000 0.833 427 D CB 0.067 40.873 40.800 0.010 0.000 0.946 427 D HN 0.268 nan 8.370 nan 0.000 0.505 428 K N 1.510 121.890 120.400 -0.034 0.000 2.063 428 K HA -0.078 4.271 4.320 0.047 0.000 0.208 428 K C -0.858 175.734 176.600 -0.013 0.000 1.048 428 K CA 1.315 57.569 56.287 -0.055 0.000 0.928 428 K CB -1.155 31.260 32.500 -0.141 0.000 0.713 428 K HN 0.134 nan 8.250 nan 0.000 0.442 429 P HA -0.104 nan 4.420 nan 0.000 0.217 429 P C 1.212 178.531 177.300 0.033 0.000 1.150 429 P CA 0.816 63.934 63.100 0.030 0.000 0.832 429 P CB -0.002 31.715 31.700 0.028 0.000 0.787 430 L N -0.707 120.531 121.223 0.025 0.000 2.046 430 L HA -0.114 4.254 4.340 0.047 0.000 0.208 430 L C 2.125 179.017 176.870 0.037 0.000 1.077 430 L CA 1.733 56.591 54.840 0.029 0.000 0.747 430 L CB -1.169 40.905 42.059 0.026 0.000 0.896 430 L HN -0.132 nan 8.230 nan 0.000 0.432 431 I N -0.268 120.325 120.570 0.039 0.000 2.179 431 I HA -0.295 3.903 4.170 0.047 0.000 0.242 431 I C 1.978 178.134 176.117 0.064 0.000 1.088 431 I CA 1.503 62.837 61.300 0.055 0.000 1.357 431 I CB -0.500 37.533 38.000 0.055 0.000 1.051 431 I HN 0.288 nan 8.210 nan 0.000 0.409 432 D N 0.578 121.018 120.400 0.066 0.000 2.144 432 D HA -0.190 4.479 4.640 0.047 0.000 0.200 432 D C 2.058 178.400 176.300 0.070 0.000 0.978 432 D CA 1.038 55.089 54.000 0.085 0.000 0.833 432 D CB -0.156 40.711 40.800 0.111 0.000 0.961 432 D HN 0.275 nan 8.370 nan 0.000 0.470 433 K N 0.940 121.373 120.400 0.055 0.000 2.057 433 K HA -0.133 4.215 4.320 0.047 0.000 0.207 433 K C 1.803 178.425 176.600 0.037 0.000 1.049 433 K CA 1.124 57.438 56.287 0.045 0.000 0.931 433 K CB 0.115 32.637 32.500 0.037 0.000 0.714 433 K HN 0.048 nan 8.250 nan 0.000 0.440 434 E N 0.421 120.641 120.200 0.033 0.000 2.110 434 E HA -0.170 4.208 4.350 0.047 0.000 0.193 434 E C 2.032 178.633 176.600 0.001 0.000 0.988 434 E CA 1.219 57.627 56.400 0.014 0.000 0.804 434 E CB -0.055 29.654 29.700 0.016 0.000 0.745 434 E HN 0.383 nan 8.360 nan 0.000 0.458 435 I N 0.622 121.213 120.570 0.036 0.000 2.252 435 I HA -0.168 4.031 4.170 0.047 0.000 0.245 435 I C 2.542 178.692 176.117 0.055 0.000 1.102 435 I CA 1.096 62.426 61.300 0.051 0.000 1.385 435 I CB -0.465 37.594 38.000 0.099 0.000 1.064 435 I HN 0.160 nan 8.210 nan 0.000 0.414 436 G N 0.321 109.159 108.800 0.064 0.000 2.442 436 G HA2 -0.228 3.760 3.960 0.047 0.000 0.219 436 G HA3 -0.228 3.760 3.960 0.047 0.000 0.219 436 G C 1.508 176.446 174.900 0.064 0.000 1.141 436 G CA 0.606 45.752 45.100 0.075 0.000 0.763 436 G HN 0.419 nan 8.290 nan 0.000 0.554 437 E N -0.353 119.867 120.200 0.033 0.000 2.072 437 E HA -0.056 4.323 4.350 0.047 0.000 0.191 437 E C 2.555 179.155 176.600 0.001 0.000 0.985 437 E CA 0.751 57.166 56.400 0.024 0.000 0.801 437 E CB -0.221 29.485 29.700 0.009 0.000 0.750 437 E HN 0.248 nan 8.360 nan 0.000 0.452 438 V N 1.383 121.255 119.914 -0.071 0.000 2.490 438 V HA -0.200 3.949 4.120 0.047 0.000 0.250 438 V C 1.936 178.019 176.094 -0.018 0.000 1.061 438 V CA 1.379 63.565 62.300 -0.191 0.000 1.064 438 V CB -0.197 31.300 31.823 -0.544 0.000 0.670 438 V HN 0.241 nan 8.190 nan 0.000 0.461 439 L N 0.045 121.297 121.223 0.049 0.000 2.376 439 L HA 0.069 4.438 4.340 0.047 0.000 0.219 439 L C 1.979 178.897 176.870 0.082 0.000 1.133 439 L CA 1.146 56.011 54.840 0.042 0.000 0.816 439 L CB -0.477 41.637 42.059 0.091 0.000 0.933 439 L HN 0.397 nan 8.230 nan 0.000 0.449 440 A N -0.682 122.224 122.820 0.143 0.000 2.564 440 A HA 0.209 4.558 4.320 0.047 0.000 0.279 440 A C 0.756 178.447 177.584 0.177 0.000 1.232 440 A CA -0.202 51.929 52.037 0.156 0.000 0.950 440 A CB -0.341 18.741 19.000 0.137 0.000 1.138 440 A HN 0.267 nan 8.150 nan 0.000 0.526 441 T N -1.136 113.529 114.554 0.184 0.000 2.832 441 T HA 0.350 4.729 4.350 0.047 0.000 0.296 441 T C 0.890 175.737 174.700 0.245 0.000 0.968 441 T CA 0.063 62.304 62.100 0.234 0.000 1.107 441 T CB 0.593 69.460 68.868 -0.002 0.000 0.916 441 T HN 0.490 nan 8.240 nan 0.000 0.517 442 H N 0.788 119.856 119.070 -0.004 0.000 2.547 442 H HA 0.173 4.758 4.556 0.048 0.000 0.272 442 H C 0.251 175.567 175.328 -0.021 0.000 0.971 442 H CA -0.214 55.832 56.048 -0.003 0.000 1.245 442 H CB -0.120 29.651 29.762 0.015 0.000 1.440 442 H HN 0.614 nan 8.280 nan 0.000 0.540 443 D N 2.151 122.143 120.400 -0.680 0.000 2.325 443 D HA -0.009 4.660 4.640 0.047 0.000 0.251 443 D C 0.748 176.909 176.300 -0.231 0.000 1.196 443 D CA -0.140 53.571 54.000 -0.481 0.000 0.866 443 D CB 1.220 41.662 40.800 -0.597 0.000 1.101 443 D HN 0.109 nan 8.370 nan 0.000 0.476 444 E N 2.206 122.326 120.200 -0.134 0.000 2.153 444 E HA -0.106 4.272 4.350 0.047 0.000 0.194 444 E C 1.530 178.104 176.600 -0.042 0.000 0.988 444 E CA 1.053 57.412 56.400 -0.069 0.000 0.811 444 E CB 0.011 29.700 29.700 -0.019 0.000 0.746 444 E HN 0.552 nan 8.360 nan 0.000 0.466 445 T N 1.207 115.729 114.554 -0.053 0.000 2.737 445 T HA -0.169 4.209 4.350 0.047 0.000 0.265 445 T C 1.930 176.608 174.700 -0.036 0.000 1.038 445 T CA 1.485 63.568 62.100 -0.027 0.000 1.144 445 T CB -0.150 68.700 68.868 -0.030 0.000 0.866 445 T HN 0.048 nan 8.240 nan 0.000 0.434 446 Q N 1.315 121.068 119.800 -0.078 0.000 2.124 446 Q HA -0.019 4.350 4.340 0.047 0.000 0.202 446 Q C 2.250 178.192 176.000 -0.096 0.000 0.977 446 Q CA 1.473 57.230 55.803 -0.077 0.000 0.850 446 Q CB -0.240 28.442 28.738 -0.093 0.000 0.901 446 Q HN 0.418 nan 8.270 nan 0.000 0.429 447 R N -0.481 119.940 120.500 -0.132 0.000 2.073 447 R HA -0.169 4.199 4.340 0.047 0.000 0.234 447 R C 2.211 178.437 176.300 -0.124 0.000 1.134 447 R CA 1.921 57.890 56.100 -0.218 0.000 0.952 447 R CB -0.100 30.024 30.300 -0.293 0.000 0.850 447 R HN 0.415 nan 8.270 nan 0.000 0.433 448 Q N -0.568 119.249 119.800 0.029 0.000 2.119 448 Q HA -0.094 4.274 4.340 0.047 0.000 0.201 448 Q C 2.060 178.130 176.000 0.118 0.000 0.972 448 Q CA 1.527 57.434 55.803 0.172 0.000 0.847 448 Q CB -0.031 28.817 28.738 0.182 0.000 0.903 448 Q HN 0.435 nan 8.270 nan 0.000 0.433 449 A N 0.575 123.421 122.820 0.043 0.000 1.930 449 A HA -0.125 4.224 4.320 0.047 0.000 0.217 449 A C 2.004 179.603 177.584 0.026 0.000 1.175 449 A CA 0.936 52.995 52.037 0.037 0.000 0.627 449 A CB -0.490 18.517 19.000 0.011 0.000 0.815 449 A HN 0.271 nan 8.150 nan 0.000 0.443 450 L N -2.277 118.925 121.223 -0.035 0.000 2.027 450 L HA -0.169 4.200 4.340 0.047 0.000 0.206 450 L C 2.560 179.404 176.870 -0.043 0.000 1.074 450 L CA 1.394 56.188 54.840 -0.077 0.000 0.745 450 L CB -0.638 41.309 42.059 -0.187 0.000 0.898 450 L HN 0.488 nan 8.230 nan 0.000 0.433 451 Y N -0.251 120.050 120.300 0.002 0.000 2.224 451 Y HA -0.285 4.291 4.550 0.044 0.000 0.289 451 Y C 2.921 178.868 175.900 0.079 0.000 1.146 451 Y CA 1.204 59.326 58.100 0.036 0.000 1.182 451 Y CB -0.150 38.313 38.460 0.006 0.000 0.983 451 Y HN 0.101 nan 8.280 nan 0.000 0.524 452 R N 0.611 121.248 120.500 0.229 0.000 2.081 452 R HA -0.219 4.150 4.340 0.047 0.000 0.235 452 R C 1.762 178.146 176.300 0.140 0.000 1.131 452 R CA 2.210 58.409 56.100 0.165 0.000 0.960 452 R CB -0.444 29.927 30.300 0.119 0.000 0.856 452 R HN 0.315 nan 8.270 nan 0.000 0.436 453 D N -0.118 120.349 120.400 0.111 0.000 2.117 453 D HA -0.124 4.545 4.640 0.047 0.000 0.197 453 D C 1.893 178.264 176.300 0.117 0.000 0.987 453 D CA 1.381 55.438 54.000 0.094 0.000 0.829 453 D CB 0.049 40.887 40.800 0.063 0.000 0.961 453 D HN 0.326 nan 8.370 nan 0.000 0.460 454 I N -0.080 120.573 120.570 0.138 0.000 2.202 454 I HA -0.214 3.984 4.170 0.047 0.000 0.242 454 I C 2.242 178.485 176.117 0.210 0.000 1.091 454 I CA 0.753 62.153 61.300 0.167 0.000 1.368 454 I CB -0.154 37.962 38.000 0.195 0.000 1.058 454 I HN 0.107 nan 8.210 nan 0.000 0.410 455 L N -0.280 121.089 121.223 0.244 0.000 2.156 455 L HA -0.122 4.247 4.340 0.047 0.000 0.208 455 L C 2.522 179.525 176.870 0.221 0.000 1.095 455 L CA 1.120 56.117 54.840 0.261 0.000 0.770 455 L CB -0.783 41.441 42.059 0.273 0.000 0.914 455 L HN 0.253 nan 8.230 nan 0.000 0.439 456 T N -0.659 114.001 114.554 0.177 0.000 2.777 456 T HA -0.125 4.253 4.350 0.047 0.000 0.266 456 T C 2.049 176.852 174.700 0.172 0.000 1.040 456 T CA 1.038 63.237 62.100 0.165 0.000 1.141 456 T CB -0.084 68.856 68.868 0.121 0.000 0.868 456 T HN 0.274 nan 8.240 nan 0.000 0.444 457 R N 0.572 121.158 120.500 0.143 0.000 2.081 457 R HA 0.066 4.434 4.340 0.047 0.000 0.235 457 R C 2.462 178.836 176.300 0.124 0.000 1.131 457 R CA 1.040 57.208 56.100 0.113 0.000 0.960 457 R CB -0.568 29.787 30.300 0.091 0.000 0.856 457 R HN 0.345 nan 8.270 nan 0.000 0.436 458 L N -0.729 120.596 121.223 0.170 0.000 2.079 458 L HA -0.223 4.145 4.340 0.047 0.000 0.210 458 L C 2.493 179.478 176.870 0.191 0.000 1.081 458 L CA 1.469 56.425 54.840 0.192 0.000 0.752 458 L CB -0.520 41.722 42.059 0.305 0.000 0.896 458 L HN 0.280 nan 8.230 nan 0.000 0.433 459 H N 0.197 119.340 119.070 0.121 0.000 2.307 459 H HA -0.151 4.425 4.556 0.034 0.000 0.303 459 H C 1.861 177.219 175.328 0.050 0.000 1.073 459 H CA 1.829 57.930 56.048 0.088 0.000 1.338 459 H CB 0.090 29.903 29.762 0.084 0.000 1.389 459 H HN 0.179 nan 8.280 nan 0.000 0.503 460 D N 0.282 120.742 120.400 0.100 0.000 2.218 460 D HA -0.108 4.560 4.640 0.047 0.000 0.204 460 D C 1.499 177.788 176.300 -0.019 0.000 0.976 460 D CA 0.869 54.886 54.000 0.028 0.000 0.853 460 D CB -0.052 40.796 40.800 0.081 0.000 0.939 460 D HN 0.517 nan 8.370 nan 0.000 0.481 461 E N -0.099 120.095 120.200 -0.011 0.000 2.489 461 E HA 0.182 4.560 4.350 0.047 0.000 0.193 461 E C 0.650 177.205 176.600 -0.075 0.000 1.057 461 E CA 0.274 56.655 56.400 -0.032 0.000 0.866 461 E CB 0.241 29.928 29.700 -0.022 0.000 0.916 461 E HN 0.140 nan 8.360 nan 0.000 0.500 462 A N 0.670 123.425 122.820 -0.109 0.000 2.745 462 A HA -0.211 4.137 4.320 0.047 0.000 0.296 462 A C 1.552 179.048 177.584 -0.147 0.000 1.500 462 A CA 0.687 52.638 52.037 -0.144 0.000 0.766 462 A CB -2.307 16.612 19.000 -0.135 0.000 1.030 462 A HN 0.158 nan 8.150 nan 0.000 0.489 463 V N -1.829 117.976 119.914 -0.182 0.000 2.427 463 V HA -0.111 4.038 4.120 0.047 0.000 0.248 463 V C 1.337 177.101 176.094 -0.550 0.000 1.051 463 V CA 2.111 64.180 62.300 -0.385 0.000 1.048 463 V CB -0.560 30.933 31.823 -0.550 0.000 0.666 463 V HN 0.665 nan 8.190 nan 0.000 0.456 464 Y N -1.581 118.704 120.300 -0.025 0.000 2.568 464 Y HA 0.637 5.214 4.550 0.044 0.000 0.327 464 Y C -0.087 175.765 175.900 -0.080 0.000 1.163 464 Y CA -1.067 57.012 58.100 -0.035 0.000 1.219 464 Y CB 1.342 39.782 38.460 -0.033 0.000 1.308 464 Y HN -0.135 nan 8.280 nan 0.000 0.503 465 L N 4.033 125.305 121.223 0.081 0.000 2.384 465 L HA 0.493 4.862 4.340 0.047 0.000 0.261 465 L C -2.844 174.008 176.870 -0.031 0.000 1.024 465 L CA -1.992 52.836 54.840 -0.021 0.000 0.899 465 L CB 1.317 43.334 42.059 -0.070 0.000 1.243 465 L HN 0.353 nan 8.230 nan 0.000 0.449 466 P HA 0.222 nan 4.420 nan 0.000 0.271 466 P C 0.237 177.447 177.300 -0.151 0.000 1.216 466 P CA 0.140 63.168 63.100 -0.119 0.000 0.771 466 P CB 1.417 33.039 31.700 -0.130 0.000 0.864 467 I N 0.281 120.745 120.570 -0.177 0.000 3.366 467 I HA 0.078 4.277 4.170 0.047 0.000 0.267 467 I C 0.589 176.566 176.117 -0.233 0.000 1.149 467 I CA 0.589 61.798 61.300 -0.153 0.000 1.436 467 I CB 0.307 38.266 38.000 -0.069 0.000 1.379 467 I HN 0.370 nan 8.210 nan 0.000 0.460 468 S N -1.007 114.524 115.700 -0.282 0.000 2.570 468 S HA 0.526 5.025 4.470 0.047 0.000 0.270 468 S C -1.455 172.899 174.600 -0.409 0.000 1.149 468 S CA -0.698 57.297 58.200 -0.343 0.000 0.837 468 S CB 1.345 64.444 63.200 -0.169 0.000 1.124 468 S HN 0.046 nan 8.310 nan 0.000 0.465 469 Y N 1.831 122.091 120.300 -0.067 0.000 2.341 469 Y HA 0.584 5.161 4.550 0.045 0.000 0.340 469 Y C 0.447 176.301 175.900 -0.077 0.000 0.997 469 Y CA -1.412 56.645 58.100 -0.073 0.000 1.149 469 Y CB 0.247 38.671 38.460 -0.060 0.000 1.171 469 Y HN 0.786 nan 8.280 nan 0.000 0.494 470 I N -0.821 119.781 120.570 0.053 0.000 2.793 470 I HA 0.811 5.010 4.170 0.047 0.000 0.313 470 I C -0.009 176.077 176.117 -0.053 0.000 0.998 470 I CA -0.536 60.747 61.300 -0.029 0.000 1.140 470 I CB 1.741 39.705 38.000 -0.059 0.000 1.327 470 I HN 0.308 nan 8.210 nan 0.000 0.491 471 S N 3.279 118.914 115.700 -0.109 0.000 2.689 471 S HA 0.648 5.146 4.470 0.047 0.000 0.306 471 S C -0.335 174.135 174.600 -0.216 0.000 1.104 471 S CA -0.837 57.264 58.200 -0.165 0.000 0.973 471 S CB 1.298 64.392 63.200 -0.175 0.000 1.121 471 S HN 0.539 nan 8.310 nan 0.000 0.523 472 M N 2.705 122.131 119.600 -0.289 0.000 2.249 472 M HA 0.439 4.948 4.480 0.047 0.000 0.351 472 M C -0.302 175.789 176.300 -0.348 0.000 1.180 472 M CA 0.130 55.234 55.300 -0.326 0.000 1.127 472 M CB 0.601 32.976 32.600 -0.374 0.000 1.546 472 M HN 0.713 nan 8.290 nan 0.000 0.461 473 M N 1.599 120.987 119.600 -0.353 0.000 2.591 473 M HA 0.882 5.390 4.480 0.047 0.000 0.306 473 M C -1.411 174.737 176.300 -0.252 0.000 1.190 473 M CA -1.001 54.101 55.300 -0.330 0.000 0.889 473 M CB 2.179 34.398 32.600 -0.634 0.000 1.728 473 M HN 0.274 nan 8.290 nan 0.000 0.458 474 V N 1.781 121.660 119.914 -0.058 0.000 2.841 474 V HA 0.716 4.864 4.120 0.047 0.000 0.310 474 V C -0.873 175.266 176.094 0.076 0.000 1.090 474 V CA -0.705 61.587 62.300 -0.014 0.000 0.930 474 V CB 2.345 34.178 31.823 0.017 0.000 1.014 474 V HN 0.786 nan 8.190 nan 0.000 0.425 475 V N 3.279 123.173 119.914 -0.033 0.000 2.588 475 V HA 0.852 5.001 4.120 0.047 0.000 0.304 475 V C -0.289 175.628 176.094 -0.296 0.000 1.042 475 V CA -0.283 61.865 62.300 -0.254 0.000 0.877 475 V CB 2.113 33.648 31.823 -0.480 0.000 0.996 475 V HN 1.076 nan 8.190 nan 0.000 0.425 476 S N 3.272 118.892 115.700 -0.134 0.000 2.556 476 S HA 0.619 5.118 4.470 0.047 0.000 0.271 476 S C -1.035 173.792 174.600 0.379 0.000 1.135 476 S CA -1.201 57.107 58.200 0.180 0.000 0.858 476 S CB 1.715 65.042 63.200 0.211 0.000 1.114 476 S HN 0.544 nan 8.310 nan 0.000 0.468 477 K N 1.572 122.210 120.400 0.396 0.000 2.489 477 K HA 0.151 4.500 4.320 0.047 0.000 0.278 477 K C -1.835 174.866 176.600 0.168 0.000 1.000 477 K CA -1.457 54.975 56.287 0.241 0.000 1.012 477 K CB 0.179 32.736 32.500 0.096 0.000 0.903 477 K HN 0.367 nan 8.250 nan 0.000 0.485 478 P HA -0.229 nan 4.420 nan 0.000 0.218 478 P C 0.629 177.926 177.300 -0.005 0.000 1.148 478 P CA 1.183 64.318 63.100 0.058 0.000 0.822 478 P CB 0.184 31.924 31.700 0.066 0.000 0.784 479 E N -0.144 120.066 120.200 0.016 0.000 2.333 479 E HA -0.126 4.252 4.350 0.047 0.000 0.198 479 E C 1.755 178.352 176.600 -0.005 0.000 1.007 479 E CA 0.861 57.260 56.400 -0.001 0.000 0.845 479 E CB -1.144 28.558 29.700 0.003 0.000 0.766 479 E HN 0.359 nan 8.360 nan 0.000 0.507 480 L N 0.473 121.701 121.223 0.008 0.000 2.478 480 L HA 0.063 4.431 4.340 0.047 0.000 0.223 480 L C 1.355 178.209 176.870 -0.027 0.000 1.140 480 L CA 0.534 55.380 54.840 0.009 0.000 0.842 480 L CB -0.762 41.324 42.059 0.046 0.000 0.953 480 L HN 0.290 nan 8.230 nan 0.000 0.452 481 G N 0.614 109.361 108.800 -0.088 0.000 2.632 481 G HA2 -0.328 3.661 3.960 0.047 0.000 0.224 481 G HA3 -0.328 3.661 3.960 0.047 0.000 0.224 481 G C -0.288 174.484 174.900 -0.213 0.000 1.341 481 G CA -0.180 44.831 45.100 -0.147 0.000 0.880 481 G HN 0.359 nan 8.290 nan 0.000 0.566 482 N N 0.144 118.750 118.700 -0.156 0.000 2.483 482 N HA 0.356 5.125 4.740 0.047 0.000 0.264 482 N C 0.353 175.842 175.510 -0.036 0.000 1.197 482 N CA -0.184 52.822 53.050 -0.074 0.000 0.927 482 N CB 0.165 38.630 38.487 -0.037 0.000 1.065 482 N HN 0.541 nan 8.380 nan 0.000 0.461 483 I N 5.096 125.662 120.570 -0.007 0.000 2.312 483 I HA 0.341 4.539 4.170 0.047 0.000 0.290 483 I C -2.027 173.950 176.117 -0.233 0.000 1.008 483 I CA -2.385 58.886 61.300 -0.049 0.000 1.226 483 I CB 0.746 38.779 38.000 0.055 0.000 1.371 483 I HN 0.476 nan 8.210 nan 0.000 0.468 484 P HA 0.267 nan 4.420 nan 0.000 0.274 484 P C -1.210 175.904 177.300 -0.310 0.000 1.246 484 P CA -0.063 62.874 63.100 -0.272 0.000 0.795 484 P CB 0.449 32.092 31.700 -0.096 0.000 1.006 485 Y N -0.513 119.862 120.300 0.125 0.000 2.387 485 Y HA 0.576 5.155 4.550 0.049 0.000 0.330 485 Y C 0.925 176.887 175.900 0.103 0.000 1.133 485 Y CA -1.261 56.934 58.100 0.158 0.000 1.152 485 Y CB 1.156 39.680 38.460 0.107 0.000 1.215 485 Y HN 0.338 nan 8.280 nan 0.000 0.466 486 A N 2.993 125.982 122.820 0.282 0.000 2.302 486 A HA 0.412 4.760 4.320 0.047 0.000 0.285 486 A C -1.807 175.891 177.584 0.191 0.000 1.105 486 A CA -1.464 50.675 52.037 0.170 0.000 0.816 486 A CB 0.262 19.331 19.000 0.115 0.000 1.067 486 A HN 0.653 nan 8.150 nan 0.000 0.489 487 P HA -0.024 nan 4.420 nan 0.000 0.217 487 P C -0.037 177.461 177.300 0.330 0.000 1.150 487 P CA 0.974 64.209 63.100 0.225 0.000 0.832 487 P CB 0.034 31.825 31.700 0.152 0.000 0.787 488 I N -0.389 120.340 120.570 0.265 0.000 2.325 488 I HA 0.150 4.349 4.170 0.047 0.000 0.291 488 I C 1.431 177.659 176.117 0.185 0.000 1.019 488 I CA -0.575 60.834 61.300 0.183 0.000 1.302 488 I CB 1.514 39.586 38.000 0.121 0.000 1.401 488 I HN -0.090 nan 8.210 nan 0.000 0.485 489 A N 4.321 127.256 122.820 0.191 0.000 2.076 489 A HA -0.161 4.188 4.320 0.047 0.000 0.220 489 A C 2.021 179.720 177.584 0.191 0.000 1.160 489 A CA 2.142 54.285 52.037 0.178 0.000 0.653 489 A CB -0.733 18.363 19.000 0.160 0.000 0.801 489 A HN 0.817 nan 8.150 nan 0.000 0.455 490 T N -2.422 112.255 114.554 0.206 0.000 3.107 490 T HA 0.196 4.575 4.350 0.047 0.000 0.249 490 T C 0.444 175.256 174.700 0.187 0.000 1.096 490 T CA 0.094 62.313 62.100 0.198 0.000 1.012 490 T CB -0.028 68.948 68.868 0.180 0.000 0.977 490 T HN 0.542 nan 8.240 nan 0.000 0.527 491 E N 0.669 120.964 120.200 0.158 0.000 2.250 491 E HA 0.605 4.984 4.350 0.047 0.000 0.269 491 E C -0.806 175.797 176.600 0.005 0.000 1.018 491 E CA -0.763 55.696 56.400 0.098 0.000 0.873 491 E CB 1.618 31.368 29.700 0.084 0.000 1.134 491 E HN 0.356 nan 8.360 nan 0.000 0.403 492 I N 3.014 123.478 120.570 -0.176 0.000 2.418 492 I HA 0.220 4.418 4.170 0.047 0.000 0.287 492 I C -2.126 173.636 176.117 -0.591 0.000 1.008 492 I CA -2.076 58.821 61.300 -0.672 0.000 1.104 492 I CB 1.990 39.275 38.000 -1.192 0.000 1.264 492 I HN 0.242 nan 8.210 nan 0.000 0.438 493 P HA 0.179 nan 4.420 nan 0.000 0.214 493 P C 0.577 177.775 177.300 -0.170 0.000 1.826 493 P CA -0.204 62.778 63.100 -0.198 0.000 0.977 493 P CB -0.246 31.404 31.700 -0.084 0.000 1.930 494 F N 1.814 121.723 119.950 -0.068 0.000 2.202 494 F HA -0.190 4.366 4.527 0.048 0.000 0.301 494 F C 2.390 178.341 175.800 0.251 0.000 1.082 494 F CA 1.103 59.074 58.000 -0.050 0.000 1.313 494 F CB -0.410 38.354 39.000 -0.393 0.000 1.024 494 F HN 0.182 nan 8.300 nan 0.000 0.495 495 E N 0.170 120.699 120.200 0.549 0.000 2.478 495 E HA -0.170 4.209 4.350 0.047 0.000 0.198 495 E C 1.142 177.856 176.600 0.191 0.000 1.046 495 E CA 0.812 57.452 56.400 0.400 0.000 0.870 495 E CB -0.449 29.364 29.700 0.188 0.000 0.818 495 E HN 0.440 nan 8.360 nan 0.000 0.527 496 Q N 0.420 120.307 119.800 0.145 0.000 2.282 496 Q HA 0.313 4.681 4.340 0.047 0.000 0.206 496 Q C 0.594 176.629 176.000 0.059 0.000 0.878 496 Q CA -0.113 55.735 55.803 0.075 0.000 0.944 496 Q CB 0.742 29.503 28.738 0.038 0.000 1.100 496 Q HN 0.369 nan 8.270 nan 0.000 0.509 497 I N 1.590 122.213 120.570 0.090 0.000 2.441 497 I HA 0.080 4.279 4.170 0.047 0.000 0.287 497 I C 0.583 176.742 176.117 0.071 0.000 1.049 497 I CA 0.214 61.555 61.300 0.068 0.000 1.381 497 I CB 0.601 38.654 38.000 0.089 0.000 1.409 497 I HN -0.337 nan 8.210 nan 0.000 0.523 498 K N 7.121 127.546 120.400 0.040 0.000 2.679 498 K HA 0.349 4.698 4.320 0.047 0.000 0.188 498 K C -2.215 174.397 176.600 0.021 0.000 1.055 498 K CA -1.434 54.873 56.287 0.035 0.000 1.006 498 K CB 0.855 33.369 32.500 0.024 0.000 1.317 498 K HN 0.373 nan 8.250 nan 0.000 0.584 499 P HA 0.000 nan 4.420 nan 0.000 0.216 499 P CA 0.000 63.108 63.100 0.013 0.000 0.800 499 P CB 0.000 31.712 31.700 0.019 0.000 0.726