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 2zrv_1_C DATA FIRST_RESID 7 DATA SEQUENCE RKVEHVEIAA FENVDGLSSS TFLNDVILVH QGFPGISFSE INTKTKFFRK DATA SEQUENCE EISVPVMVTG MTGGRNELGR INKIIAEVAE KFGIPMGVGS QRVAIEKAEA DATA SEQUENCE RESFAIVRKV APTIPIIANL GMPQLVKGYG LKEFQDAIQM IEADAIAVHL DATA SEQUENCE NPAQEVFQPE GEPEYQIYAL EKLRDISKEL SVPIIVKESG NGISMETAKL DATA SEQUENCE LYSYGIKNFD TSGQGGTNWI AIEMIRDIRR GNWKAESAKN FLDWGVPTAA DATA SEQUENCE SIMEVRYSVP DSFLVGSGGI RSGLDAAKAI ALGADIAGMA LPVLKSAIEG DATA SEQUENCE KESLEQFFRK IIFELKAAMM LTGSKDVDAL KKTSIVILGK LKEWAEYRGI DATA SEQUENCE NLSIYEKVRK R 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 7 R HA 0.000 nan 4.340 nan 0.000 0.208 7 R C 0.000 176.200 176.300 -0.167 0.000 0.893 7 R CA 0.000 56.011 56.100 -0.149 0.000 0.921 7 R CB 0.000 30.235 30.300 -0.109 0.000 0.687 8 K N 1.027 121.424 120.400 -0.006 0.000 2.074 8 K HA -0.102 4.218 4.320 -0.000 0.000 0.209 8 K C 1.850 178.491 176.600 0.069 0.000 1.048 8 K CA 1.944 58.284 56.287 0.089 0.000 0.926 8 K CB -0.229 32.321 32.500 0.083 0.000 0.713 8 K HN 0.194 nan 8.250 nan 0.000 0.444 9 V N -0.087 119.842 119.914 0.025 0.000 2.453 9 V HA -0.166 3.954 4.120 -0.000 0.000 0.247 9 V C 1.939 178.047 176.094 0.024 0.000 1.048 9 V CA 1.956 64.272 62.300 0.027 0.000 1.049 9 V CB -0.144 31.693 31.823 0.024 0.000 0.672 9 V HN 0.408 nan 8.190 nan 0.000 0.457 10 E N -0.580 119.606 120.200 -0.023 0.000 2.085 10 E HA -0.299 4.051 4.350 -0.000 0.000 0.194 10 E C 2.040 178.651 176.600 0.017 0.000 0.994 10 E CA 2.026 58.405 56.400 -0.034 0.000 0.801 10 E CB -0.340 29.301 29.700 -0.099 0.000 0.743 10 E HN 0.884 nan 8.360 nan 0.000 0.453 11 H N -0.860 118.247 119.070 0.062 0.000 2.319 11 H HA -0.128 4.428 4.556 -0.000 0.000 0.299 11 H C 2.274 177.595 175.328 -0.011 0.000 1.092 11 H CA 1.354 57.450 56.048 0.079 0.000 1.302 11 H CB 0.156 30.081 29.762 0.270 0.000 1.373 11 H HN 0.044 nan 8.280 nan 0.000 0.497 12 V N 1.025 121.015 119.914 0.127 0.000 2.332 12 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 12 V C 2.399 178.413 176.094 -0.134 0.000 1.055 12 V CA 2.210 64.501 62.300 -0.014 0.000 1.038 12 V CB -0.434 31.385 31.823 -0.007 0.000 0.651 12 V HN 0.565 nan 8.190 nan 0.000 0.450 13 E N 0.123 120.296 120.200 -0.045 0.000 2.072 13 E HA -0.197 4.153 4.350 -0.000 0.000 0.191 13 E C 2.211 178.800 176.600 -0.019 0.000 0.985 13 E CA 1.635 58.043 56.400 0.012 0.000 0.801 13 E CB -0.206 29.581 29.700 0.145 0.000 0.750 13 E HN 0.614 nan 8.360 nan 0.000 0.452 14 I N 1.426 121.977 120.570 -0.031 0.000 2.202 14 I HA -0.209 3.961 4.170 -0.000 0.000 0.242 14 I C 2.741 178.757 176.117 -0.168 0.000 1.091 14 I CA 1.067 62.330 61.300 -0.062 0.000 1.368 14 I CB -0.379 37.591 38.000 -0.050 0.000 1.058 14 I HN 0.198 nan 8.210 nan 0.000 0.410 15 A N 0.776 123.450 122.820 -0.243 0.000 1.873 15 A HA -0.111 4.209 4.320 -0.000 0.000 0.215 15 A C 2.533 179.927 177.584 -0.318 0.000 1.186 15 A CA 1.789 53.639 52.037 -0.311 0.000 0.616 15 A CB -0.825 17.983 19.000 -0.320 0.000 0.823 15 A HN 0.416 nan 8.150 nan 0.000 0.442 16 A N -1.549 120.994 122.820 -0.463 0.000 1.930 16 A HA 0.118 4.438 4.320 -0.000 0.000 0.217 16 A C 1.729 178.939 177.584 -0.623 0.000 1.175 16 A CA 1.441 53.038 52.037 -0.732 0.000 0.627 16 A CB -0.503 17.716 19.000 -1.301 0.000 0.815 16 A HN 0.566 nan 8.150 nan 0.000 0.443 17 F N -0.897 119.012 119.950 -0.067 0.000 2.728 17 F HA 0.257 4.784 4.527 -0.000 0.000 0.314 17 F C 0.810 176.576 175.800 -0.057 0.000 1.094 17 F CA -0.532 57.434 58.000 -0.057 0.000 1.217 17 F CB 0.523 39.497 39.000 -0.045 0.000 1.056 17 F HN 0.017 nan 8.300 nan 0.000 0.577 18 E N 0.737 120.964 120.200 0.046 0.000 2.259 18 E HA 0.157 4.507 4.350 -0.000 0.000 0.257 18 E C -0.846 175.731 176.600 -0.038 0.000 0.998 18 E CA -0.754 55.650 56.400 0.006 0.000 0.866 18 E CB 1.072 30.762 29.700 -0.017 0.000 1.220 18 E HN -0.154 nan 8.360 nan 0.000 0.415 19 N N 1.092 119.769 118.700 -0.039 0.000 2.868 19 N HA 0.073 4.813 4.740 -0.000 0.000 0.252 19 N C -0.140 175.326 175.510 -0.073 0.000 1.130 19 N CA -0.072 52.950 53.050 -0.048 0.000 1.026 19 N CB -0.040 38.429 38.487 -0.030 0.000 1.335 19 N HN 0.297 nan 8.380 nan 0.000 0.516 20 V N -1.188 118.662 119.914 -0.106 0.000 3.382 20 V HA 0.362 4.482 4.120 -0.000 0.000 0.296 20 V C 0.192 176.201 176.094 -0.142 0.000 1.529 20 V CA -0.493 61.722 62.300 -0.141 0.000 1.048 20 V CB -0.020 31.671 31.823 -0.221 0.000 0.878 20 V HN 0.242 nan 8.190 nan 0.000 0.442 21 D N 2.385 122.719 120.400 -0.111 0.000 2.352 21 D HA 0.485 5.125 4.640 -0.000 0.000 0.245 21 D C 1.403 177.669 176.300 -0.057 0.000 1.224 21 D CA 1.285 55.231 54.000 -0.089 0.000 0.879 21 D CB 0.532 41.286 40.800 -0.077 0.000 1.057 21 D HN 0.710 nan 8.370 nan 0.000 0.491 22 G N 3.611 112.382 108.800 -0.048 0.000 2.198 22 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.260 22 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.260 22 G C 0.316 175.201 174.900 -0.025 0.000 1.025 22 G CA 0.165 45.248 45.100 -0.028 0.000 0.769 22 G HN 0.561 nan 8.290 nan 0.000 0.507 23 L N 0.962 122.162 121.223 -0.038 0.000 2.638 23 L HA 0.483 4.823 4.340 -0.000 0.000 0.273 23 L C 1.294 178.153 176.870 -0.019 0.000 1.147 23 L CA 1.528 56.349 54.840 -0.033 0.000 0.941 23 L CB 0.005 42.035 42.059 -0.049 0.000 1.251 23 L HN 0.771 nan 8.230 nan 0.000 0.479 24 S N 1.814 117.508 115.700 -0.010 0.000 3.521 24 S HA -0.191 4.279 4.470 -0.000 0.000 0.328 24 S C 0.353 174.959 174.600 0.010 0.000 1.165 24 S CA 1.091 59.292 58.200 0.000 0.000 0.941 24 S CB -1.978 61.221 63.200 -0.003 0.000 0.951 24 S HN 1.082 nan 8.310 nan 0.000 0.539 25 S N -1.039 114.665 115.700 0.008 0.000 2.697 25 S HA 0.884 5.354 4.470 -0.000 0.000 0.289 25 S C -0.618 173.992 174.600 0.016 0.000 1.149 25 S CA -0.064 58.141 58.200 0.007 0.000 0.850 25 S CB 2.472 65.671 63.200 -0.003 0.000 1.151 25 S HN 0.689 nan 8.310 nan 0.000 0.491 26 S N -0.353 115.351 115.700 0.007 0.000 2.533 26 S HA 0.510 4.980 4.470 -0.000 0.000 0.271 26 S C 0.506 175.098 174.600 -0.014 0.000 1.143 26 S CA 0.003 58.238 58.200 0.059 0.000 0.891 26 S CB 1.336 64.661 63.200 0.207 0.000 1.105 26 S HN 1.209 nan 8.310 nan 0.000 0.468 27 T N 1.198 115.763 114.554 0.018 0.000 3.088 27 T HA 0.228 4.578 4.350 -0.000 0.000 0.259 27 T C 1.090 175.807 174.700 0.029 0.000 1.122 27 T CA 0.656 62.731 62.100 -0.041 0.000 1.095 27 T CB -0.897 67.966 68.868 -0.010 0.000 0.930 27 T HN 0.873 nan 8.240 nan 0.000 0.508 28 F N -0.521 119.355 119.950 -0.124 0.000 2.935 28 F HA -0.261 4.266 4.527 0.000 0.000 0.317 28 F C 1.270 177.010 175.800 -0.099 0.000 0.699 28 F CA -0.085 57.838 58.000 -0.128 0.000 1.127 28 F CB -1.852 37.027 39.000 -0.200 0.000 1.491 28 F HN 0.207 nan 8.300 nan 0.000 0.337 29 L N 1.018 122.295 121.223 0.089 0.000 2.275 29 L HA -0.208 4.132 4.340 -0.000 0.000 0.215 29 L C 2.280 179.156 176.870 0.011 0.000 1.119 29 L CA 1.564 56.423 54.840 0.032 0.000 0.790 29 L CB -0.511 41.559 42.059 0.018 0.000 0.919 29 L HN 0.379 nan 8.230 nan 0.000 0.443 30 N N -0.917 117.786 118.700 0.004 0.000 2.364 30 N HA -0.217 4.523 4.740 -0.000 0.000 0.183 30 N C 0.882 176.366 175.510 -0.044 0.000 1.022 30 N CA 1.239 54.277 53.050 -0.021 0.000 0.883 30 N CB -0.397 38.074 38.487 -0.027 0.000 0.965 30 N HN 0.291 nan 8.380 nan 0.000 0.438 31 D N 0.241 120.605 120.400 -0.059 0.000 2.340 31 D HA 0.109 4.749 4.640 -0.000 0.000 0.220 31 D C -0.217 176.058 176.300 -0.043 0.000 1.039 31 D CA 0.126 54.077 54.000 -0.082 0.000 0.866 31 D CB 0.651 41.362 40.800 -0.147 0.000 0.913 31 D HN 0.088 nan 8.370 nan 0.000 0.523 32 V N 1.902 121.804 119.914 -0.020 0.000 2.370 32 V HA 0.368 4.488 4.120 -0.000 0.000 0.283 32 V C 0.187 176.280 176.094 -0.002 0.000 1.023 32 V CA -0.657 61.640 62.300 -0.006 0.000 0.857 32 V CB 1.982 33.808 31.823 0.005 0.000 0.985 32 V HN -0.117 nan 8.190 nan 0.000 0.443 33 I N 5.617 126.189 120.570 0.003 0.000 2.406 33 I HA 0.428 4.598 4.170 -0.000 0.000 0.290 33 I C -0.432 175.696 176.117 0.019 0.000 0.999 33 I CA -0.508 60.797 61.300 0.009 0.000 1.124 33 I CB 1.837 39.840 38.000 0.006 0.000 1.289 33 I HN 0.363 nan 8.210 nan 0.000 0.441 34 L N 6.366 127.602 121.223 0.022 0.000 2.331 34 L HA 0.356 4.696 4.340 -0.000 0.000 0.278 34 L C -0.154 176.742 176.870 0.043 0.000 1.106 34 L CA -0.823 54.033 54.840 0.027 0.000 0.824 34 L CB 1.062 43.134 42.059 0.021 0.000 1.142 34 L HN 0.291 nan 8.230 nan 0.000 0.443 35 V N 2.482 122.420 119.914 0.040 0.000 2.470 35 V HA 0.001 4.121 4.120 -0.000 0.000 0.276 35 V C 0.292 176.426 176.094 0.067 0.000 1.040 35 V CA -0.372 61.961 62.300 0.054 0.000 1.008 35 V CB 0.478 32.323 31.823 0.036 0.000 0.990 35 V HN 0.617 nan 8.190 nan 0.000 0.477 36 H N 5.518 124.592 119.070 0.008 0.000 2.848 36 H HA 0.203 4.759 4.556 -0.000 0.000 0.341 36 H C -0.120 175.219 175.328 0.018 0.000 1.060 36 H CA 0.255 56.308 56.048 0.009 0.000 1.444 36 H CB 0.612 30.379 29.762 0.009 0.000 1.446 36 H HN 0.543 nan 8.280 nan 0.000 0.583 37 Q N 4.215 123.632 119.800 -0.639 0.000 2.413 37 Q HA 0.217 4.557 4.340 -0.000 0.000 0.258 37 Q C 1.084 176.735 176.000 -0.582 0.000 1.037 37 Q CA 0.073 55.620 55.803 -0.426 0.000 0.764 37 Q CB 1.591 30.219 28.738 -0.184 0.000 1.217 37 Q HN 1.077 nan 8.270 nan 0.000 0.490 38 G N 1.407 109.966 108.800 -0.402 0.000 2.470 38 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.220 38 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.220 38 G C 0.168 175.083 174.900 0.025 0.000 1.121 38 G CA 0.294 45.335 45.100 -0.098 0.000 0.766 38 G HN 0.445 nan 8.290 nan 0.000 0.553 39 F N 1.507 121.407 119.950 -0.083 0.000 2.363 39 F HA 0.474 5.001 4.527 -0.000 0.000 0.366 39 F C -1.483 174.283 175.800 -0.058 0.000 1.083 39 F CA -2.525 55.447 58.000 -0.045 0.000 1.176 39 F CB 1.962 40.948 39.000 -0.024 0.000 1.432 39 F HN -0.106 nan 8.300 nan 0.000 0.482 40 P HA 0.029 nan 4.420 nan 0.000 0.216 40 P C 1.083 178.265 177.300 -0.196 0.000 1.150 40 P CA 1.913 64.873 63.100 -0.233 0.000 0.837 40 P CB 0.138 31.713 31.700 -0.208 0.000 0.786 41 G N -0.690 107.864 108.800 -0.410 0.000 2.141 41 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.242 41 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.242 41 G C 0.136 174.989 174.900 -0.078 0.000 0.982 41 G CA 0.233 45.284 45.100 -0.082 0.000 0.662 41 G HN 0.557 nan 8.290 nan 0.000 0.527 42 I N -3.023 117.456 120.570 -0.152 0.000 3.279 42 I HA 0.875 5.045 4.170 -0.000 0.000 0.315 42 I C -0.134 175.934 176.117 -0.082 0.000 1.225 42 I CA -0.763 60.487 61.300 -0.083 0.000 0.947 42 I CB 1.903 39.861 38.000 -0.069 0.000 1.293 42 I HN 0.450 nan 8.210 nan 0.000 0.468 43 S N 0.956 116.638 115.700 -0.030 0.000 2.578 43 S HA 0.489 4.959 4.470 -0.000 0.000 0.301 43 S C 0.366 175.004 174.600 0.064 0.000 1.091 43 S CA -0.600 57.613 58.200 0.022 0.000 1.032 43 S CB 1.727 64.947 63.200 0.034 0.000 1.064 43 S HN 0.768 nan 8.310 nan 0.000 0.508 44 F N 2.662 122.597 119.950 -0.024 0.000 2.120 44 F HA -0.137 4.390 4.527 0.000 0.000 0.300 44 F C 2.655 178.459 175.800 0.007 0.000 1.095 44 F CA 2.335 60.333 58.000 -0.005 0.000 1.249 44 F CB -0.406 38.606 39.000 0.020 0.000 0.995 44 F HN 0.784 nan 8.300 nan 0.000 0.480 45 S N -0.321 115.497 115.700 0.197 0.000 2.515 45 S HA -0.190 4.280 4.470 -0.000 0.000 0.231 45 S C 1.591 176.201 174.600 0.016 0.000 0.987 45 S CA 0.852 59.123 58.200 0.119 0.000 0.936 45 S CB -0.822 62.453 63.200 0.125 0.000 0.766 45 S HN 0.779 nan 8.310 nan 0.000 0.528 46 E N 0.708 120.899 120.200 -0.014 0.000 2.474 46 E HA 0.179 4.529 4.350 -0.000 0.000 0.194 46 E C 0.168 176.724 176.600 -0.074 0.000 1.041 46 E CA -0.380 56.000 56.400 -0.032 0.000 0.874 46 E CB -0.309 29.379 29.700 -0.020 0.000 0.914 46 E HN 0.550 nan 8.360 nan 0.000 0.498 47 I N 2.924 123.408 120.570 -0.144 0.000 2.668 47 I HA -0.067 4.103 4.170 -0.000 0.000 0.285 47 I C 0.028 176.066 176.117 -0.133 0.000 1.168 47 I CA 0.033 61.222 61.300 -0.185 0.000 1.424 47 I CB 0.097 37.888 38.000 -0.350 0.000 1.377 47 I HN 0.105 nan 8.210 nan 0.000 0.560 48 N N 4.744 123.388 118.700 -0.093 0.000 2.479 48 N HA 0.170 4.910 4.740 -0.000 0.000 0.261 48 N C 0.458 175.937 175.510 -0.053 0.000 0.979 48 N CA -0.602 52.413 53.050 -0.060 0.000 0.930 48 N CB 1.241 39.705 38.487 -0.038 0.000 1.172 48 N HN 0.614 nan 8.380 nan 0.000 0.499 49 T N -0.333 114.194 114.554 -0.045 0.000 3.107 49 T HA 0.210 4.560 4.350 -0.000 0.000 0.249 49 T C 0.523 175.218 174.700 -0.009 0.000 1.096 49 T CA 0.129 62.211 62.100 -0.031 0.000 1.012 49 T CB -0.104 68.746 68.868 -0.031 0.000 0.977 49 T HN 0.289 nan 8.240 nan 0.000 0.527 50 K N 1.375 121.772 120.400 -0.005 0.000 2.355 50 K HA 0.450 4.770 4.320 -0.000 0.000 0.270 50 K C -0.075 176.535 176.600 0.017 0.000 1.003 50 K CA 0.054 56.345 56.287 0.007 0.000 0.957 50 K CB 0.825 33.327 32.500 0.004 0.000 0.939 50 K HN 0.135 nan 8.250 nan 0.000 0.482 51 T N 0.989 115.563 114.554 0.034 0.000 2.792 51 T HA 0.245 4.595 4.350 -0.000 0.000 0.303 51 T C -1.498 173.241 174.700 0.064 0.000 1.310 51 T CA -0.898 61.233 62.100 0.051 0.000 1.007 51 T CB 1.006 69.918 68.868 0.072 0.000 1.335 51 T HN 0.396 nan 8.240 nan 0.000 0.504 52 K N 1.260 121.690 120.400 0.051 0.000 2.218 52 K HA 0.475 4.795 4.320 -0.000 0.000 0.276 52 K C -1.266 175.351 176.600 0.028 0.000 1.022 52 K CA -0.329 55.970 56.287 0.019 0.000 0.946 52 K CB 0.805 33.275 32.500 -0.050 0.000 1.000 52 K HN 0.422 nan 8.250 nan 0.000 0.468 53 F N 4.592 124.439 119.950 -0.172 0.000 2.646 53 F HA 0.198 4.725 4.527 -0.000 0.000 0.364 53 F C -0.134 175.491 175.800 -0.291 0.000 1.137 53 F CA -0.530 57.275 58.000 -0.325 0.000 1.085 53 F CB -0.106 38.831 39.000 -0.105 0.000 1.331 53 F HN 0.758 nan 8.300 nan 0.000 0.472 54 F N 1.445 121.079 119.950 -0.526 0.000 2.797 54 F HA -0.471 4.056 4.527 0.000 0.000 0.230 54 F C 1.789 177.503 175.800 -0.144 0.000 1.480 54 F CA 1.476 59.263 58.000 -0.354 0.000 1.923 54 F CB -0.708 38.114 39.000 -0.298 0.000 0.481 54 F HN 0.353 nan 8.300 nan 0.000 0.259 55 R N 0.944 121.546 120.500 0.170 0.000 2.297 55 R HA 0.139 4.479 4.340 -0.000 0.000 0.197 55 R C -0.094 176.256 176.300 0.084 0.000 0.943 55 R CA 0.475 56.627 56.100 0.087 0.000 1.038 55 R CB 0.004 30.342 30.300 0.065 0.000 0.957 55 R HN 0.332 nan 8.270 nan 0.000 0.484 56 K N 0.623 121.099 120.400 0.128 0.000 2.139 56 K HA 0.185 4.505 4.320 -0.000 0.000 0.243 56 K C -0.521 176.136 176.600 0.094 0.000 0.983 56 K CA -0.679 55.674 56.287 0.110 0.000 0.890 56 K CB 1.418 33.999 32.500 0.135 0.000 1.090 56 K HN -0.259 nan 8.250 nan 0.000 0.445 57 E N 2.076 122.314 120.200 0.064 0.000 2.175 57 E HA 0.289 4.639 4.350 -0.000 0.000 0.278 57 E C -0.971 175.656 176.600 0.045 0.000 0.969 57 E CA -0.598 55.833 56.400 0.051 0.000 0.796 57 E CB 0.709 30.427 29.700 0.030 0.000 1.104 57 E HN 0.475 nan 8.360 nan 0.000 0.395 58 I N 0.282 120.880 120.570 0.047 0.000 2.750 58 I HA 0.487 4.657 4.170 -0.000 0.000 0.308 58 I C 0.462 176.584 176.117 0.008 0.000 1.016 58 I CA -0.671 60.636 61.300 0.012 0.000 1.098 58 I CB 2.187 40.176 38.000 -0.017 0.000 1.279 58 I HN 0.265 nan 8.210 nan 0.000 0.454 59 S N 1.999 117.695 115.700 -0.006 0.000 2.446 59 S HA 0.186 4.656 4.470 -0.000 0.000 0.225 59 S C 0.461 175.064 174.600 0.005 0.000 1.016 59 S CA 0.273 58.475 58.200 0.002 0.000 0.943 59 S CB 0.018 63.223 63.200 0.007 0.000 0.786 59 S HN 0.483 nan 8.310 nan 0.000 0.508 60 V N 2.542 122.453 119.914 -0.004 0.000 2.888 60 V HA 0.345 4.465 4.120 -0.000 0.000 0.309 60 V C -2.629 173.465 176.094 0.001 0.000 1.114 60 V CA -1.862 60.435 62.300 -0.006 0.000 0.940 60 V CB 2.292 34.102 31.823 -0.020 0.000 1.021 60 V HN -0.053 nan 8.190 nan 0.000 0.426 61 P HA 0.257 nan 4.420 nan 0.000 0.218 61 P C -0.716 176.607 177.300 0.038 0.000 1.793 61 P CA 0.061 63.188 63.100 0.044 0.000 0.941 61 P CB 0.382 32.107 31.700 0.041 0.000 1.919 62 V N 2.637 122.560 119.914 0.016 0.000 2.841 62 V HA 0.574 4.694 4.120 -0.000 0.000 0.310 62 V C 0.144 176.229 176.094 -0.015 0.000 1.090 62 V CA -0.761 61.548 62.300 0.016 0.000 0.930 62 V CB 2.564 34.394 31.823 0.010 0.000 1.014 62 V HN 0.283 nan 8.190 nan 0.000 0.425 63 M N 3.106 122.721 119.600 0.025 0.000 2.572 63 M HA 0.850 5.330 4.480 -0.000 0.000 0.299 63 M C -1.659 174.686 176.300 0.074 0.000 1.205 63 M CA -0.769 54.526 55.300 -0.009 0.000 0.876 63 M CB 2.285 34.873 32.600 -0.021 0.000 1.728 63 M HN 0.228 nan 8.290 nan 0.000 0.458 64 V N 2.443 122.403 119.914 0.076 0.000 2.432 64 V HA 0.369 4.489 4.120 -0.000 0.000 0.271 64 V C 0.628 176.784 176.094 0.104 0.000 1.046 64 V CA -0.267 62.113 62.300 0.133 0.000 0.945 64 V CB 0.746 32.672 31.823 0.171 0.000 0.992 64 V HN 1.016 nan 8.190 nan 0.000 0.471 65 T N 2.427 117.046 114.554 0.109 0.000 2.902 65 T HA 0.587 4.937 4.350 -0.000 0.000 0.280 65 T C 0.609 175.367 174.700 0.096 0.000 0.992 65 T CA -0.156 62.009 62.100 0.108 0.000 1.015 65 T CB 1.469 70.400 68.868 0.106 0.000 1.044 65 T HN 0.871 nan 8.240 nan 0.000 0.520 66 G N 0.159 109.016 108.800 0.095 0.000 2.432 66 G HA2 0.454 4.414 3.960 -0.000 0.000 0.239 66 G HA3 0.454 4.414 3.960 -0.000 0.000 0.239 66 G C 0.102 175.041 174.900 0.065 0.000 1.291 66 G CA -0.496 44.658 45.100 0.090 0.000 0.863 66 G HN 0.825 nan 8.290 nan 0.000 0.560 67 M N 0.174 119.819 119.600 0.076 0.000 2.146 67 M HA 0.214 4.694 4.480 -0.000 0.000 0.194 67 M C 0.930 177.277 176.300 0.077 0.000 1.652 67 M CA 0.265 55.606 55.300 0.069 0.000 0.986 67 M CB 1.032 33.670 32.600 0.064 0.000 1.496 67 M HN 0.571 nan 8.290 nan 0.000 0.576 68 T N -0.816 113.782 114.554 0.073 0.000 2.696 68 T HA 0.744 5.094 4.350 -0.000 0.000 0.291 68 T C -1.486 173.174 174.700 -0.066 0.000 1.095 68 T CA 0.229 62.352 62.100 0.038 0.000 1.026 68 T CB 2.112 70.984 68.868 0.006 0.000 1.390 68 T HN 0.641 nan 8.240 nan 0.000 0.513 69 G N -1.462 107.194 108.800 -0.240 0.000 2.335 69 G HA2 0.458 4.418 3.960 -0.000 0.000 0.592 69 G HA3 0.458 4.418 3.960 -0.000 0.000 0.592 69 G C 0.342 174.958 174.900 -0.473 0.000 1.442 69 G CA 0.491 45.111 45.100 -0.800 0.000 0.976 69 G HN 1.915 nan 8.290 nan 0.000 0.652 70 G N -0.485 108.042 108.800 -0.455 0.000 2.367 70 G HA2 0.076 4.036 3.960 -0.000 0.000 0.181 70 G HA3 0.076 4.036 3.960 -0.000 0.000 0.181 70 G C 0.253 175.149 174.900 -0.007 0.000 1.000 70 G CA 0.734 45.832 45.100 -0.005 0.000 0.693 70 G HN 1.131 nan 8.290 nan 0.000 0.480 71 R N -0.439 120.021 120.500 -0.067 0.000 2.764 71 R HA 0.417 4.757 4.340 -0.000 0.000 0.270 71 R C 0.480 176.747 176.300 -0.056 0.000 1.014 71 R CA -0.718 55.362 56.100 -0.033 0.000 0.904 71 R CB 0.442 30.734 30.300 -0.013 0.000 1.236 71 R HN 0.003 nan 8.270 nan 0.000 0.466 72 N N 1.591 120.273 118.700 -0.031 0.000 2.104 72 N HA -0.185 4.555 4.740 -0.000 0.000 0.190 72 N C 1.188 176.679 175.510 -0.033 0.000 1.024 72 N CA 1.699 54.731 53.050 -0.030 0.000 0.853 72 N CB 0.206 38.685 38.487 -0.013 0.000 1.008 72 N HN 0.572 nan 8.380 nan 0.000 0.424 73 E N 1.086 121.273 120.200 -0.023 0.000 2.110 73 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 73 E C 1.959 178.540 176.600 -0.031 0.000 0.988 73 E CA 0.708 57.098 56.400 -0.016 0.000 0.804 73 E CB -0.538 29.161 29.700 -0.001 0.000 0.745 73 E HN 0.216 nan 8.360 nan 0.000 0.458 74 L N 1.235 122.426 121.223 -0.052 0.000 2.093 74 L HA 0.031 4.371 4.340 -0.000 0.000 0.208 74 L C 2.607 179.404 176.870 -0.121 0.000 1.085 74 L CA 1.920 56.710 54.840 -0.082 0.000 0.755 74 L CB -1.563 40.436 42.059 -0.101 0.000 0.904 74 L HN 0.289 nan 8.230 nan 0.000 0.435 75 G N -0.265 108.454 108.800 -0.135 0.000 2.448 75 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.219 75 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.219 75 G C 1.758 176.616 174.900 -0.070 0.000 1.127 75 G CA 0.906 45.926 45.100 -0.134 0.000 0.766 75 G HN 0.459 nan 8.290 nan 0.000 0.552 76 R N 0.104 120.576 120.500 -0.047 0.000 2.161 76 R HA 0.273 4.613 4.340 -0.000 0.000 0.213 76 R C 2.133 178.424 176.300 -0.015 0.000 1.055 76 R CA 0.757 56.844 56.100 -0.022 0.000 0.996 76 R CB -0.564 29.729 30.300 -0.012 0.000 0.901 76 R HN 0.354 nan 8.270 nan 0.000 0.456 77 I N 1.230 121.785 120.570 -0.025 0.000 2.163 77 I HA -0.233 3.937 4.170 -0.000 0.000 0.240 77 I C 1.528 177.636 176.117 -0.016 0.000 1.081 77 I CA 1.249 62.536 61.300 -0.021 0.000 1.353 77 I CB -0.469 37.512 38.000 -0.031 0.000 1.054 77 I HN 0.246 nan 8.210 nan 0.000 0.407 78 N N 1.102 119.781 118.700 -0.035 0.000 2.060 78 N HA -0.261 4.479 4.740 -0.000 0.000 0.195 78 N C 1.755 177.269 175.510 0.007 0.000 1.028 78 N CA 1.419 54.456 53.050 -0.022 0.000 0.861 78 N CB -0.347 38.096 38.487 -0.074 0.000 1.029 78 N HN 0.308 nan 8.380 nan 0.000 0.428 79 K N 0.559 120.959 120.400 0.001 0.000 2.032 79 K HA -0.082 4.238 4.320 -0.000 0.000 0.209 79 K C 2.058 178.682 176.600 0.039 0.000 1.048 79 K CA 1.085 57.383 56.287 0.019 0.000 0.927 79 K CB -0.187 32.320 32.500 0.011 0.000 0.712 79 K HN 0.117 nan 8.250 nan 0.000 0.441 80 I N 0.979 121.571 120.570 0.036 0.000 2.142 80 I HA -0.307 3.863 4.170 -0.000 0.000 0.240 80 I C 2.280 178.449 176.117 0.086 0.000 1.078 80 I CA 1.255 62.587 61.300 0.054 0.000 1.343 80 I CB -0.217 37.805 38.000 0.036 0.000 1.046 80 I HN 0.190 nan 8.210 nan 0.000 0.405 81 I N 0.747 121.363 120.570 0.077 0.000 2.127 81 I HA -0.335 3.835 4.170 -0.000 0.000 0.241 81 I C 2.815 179.015 176.117 0.139 0.000 1.075 81 I CA 1.547 62.921 61.300 0.123 0.000 1.334 81 I CB -0.633 37.423 38.000 0.094 0.000 1.040 81 I HN 0.211 nan 8.210 nan 0.000 0.405 82 A N 1.275 124.151 122.820 0.093 0.000 1.908 82 A HA -0.255 4.065 4.320 -0.000 0.000 0.218 82 A C 2.279 179.914 177.584 0.086 0.000 1.181 82 A CA 2.095 54.180 52.037 0.080 0.000 0.627 82 A CB -0.811 18.226 19.000 0.061 0.000 0.818 82 A HN 0.673 nan 8.150 nan 0.000 0.445 83 E N -0.188 120.065 120.200 0.089 0.000 2.106 83 E HA -0.109 4.241 4.350 -0.000 0.000 0.192 83 E C 1.739 178.417 176.600 0.130 0.000 0.984 83 E CA 1.516 57.969 56.400 0.088 0.000 0.806 83 E CB -0.551 29.192 29.700 0.072 0.000 0.750 83 E HN 0.325 nan 8.360 nan 0.000 0.458 84 V N 1.971 122.001 119.914 0.192 0.000 2.379 84 V HA -0.200 3.920 4.120 -0.000 0.000 0.245 84 V C 2.689 178.979 176.094 0.326 0.000 1.044 84 V CA 1.727 64.222 62.300 0.325 0.000 1.036 84 V CB -0.758 31.311 31.823 0.409 0.000 0.664 84 V HN 0.458 nan 8.190 nan 0.000 0.453 85 A N 0.309 123.243 122.820 0.190 0.000 1.908 85 A HA -0.293 4.027 4.320 -0.000 0.000 0.218 85 A C 2.200 179.806 177.584 0.037 0.000 1.181 85 A CA 2.244 54.295 52.037 0.024 0.000 0.627 85 A CB -0.526 18.479 19.000 0.008 0.000 0.818 85 A HN 0.602 nan 8.150 nan 0.000 0.445 86 E N 0.310 120.544 120.200 0.058 0.000 2.051 86 E HA -0.221 4.129 4.350 -0.000 0.000 0.192 86 E C 2.005 178.614 176.600 0.015 0.000 0.991 86 E CA 1.939 58.356 56.400 0.029 0.000 0.799 86 E CB -0.269 29.450 29.700 0.032 0.000 0.748 86 E HN 0.597 nan 8.360 nan 0.000 0.449 87 K N -1.075 119.344 120.400 0.032 0.000 2.103 87 K HA -0.138 4.182 4.320 -0.000 0.000 0.207 87 K C 1.382 177.854 176.600 -0.213 0.000 1.048 87 K CA 1.433 57.674 56.287 -0.077 0.000 0.930 87 K CB -0.223 32.238 32.500 -0.065 0.000 0.716 87 K HN 0.204 nan 8.250 nan 0.000 0.444 88 F N -0.124 119.783 119.950 -0.071 0.000 2.776 88 F HA 0.223 4.750 4.527 -0.000 0.000 0.300 88 F C 1.249 176.970 175.800 -0.132 0.000 1.116 88 F CA 0.627 58.558 58.000 -0.116 0.000 1.375 88 F CB 0.809 39.672 39.000 -0.229 0.000 1.109 88 F HN 0.259 nan 8.300 nan 0.000 0.585 89 G N 1.686 110.494 108.800 0.012 0.000 2.198 89 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.257 89 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.257 89 G C 0.001 174.864 174.900 -0.062 0.000 1.042 89 G CA -0.142 44.944 45.100 -0.024 0.000 0.791 89 G HN 0.322 nan 8.290 nan 0.000 0.502 90 I N 1.473 121.979 120.570 -0.105 0.000 2.377 90 I HA 0.331 4.501 4.170 -0.000 0.000 0.293 90 I C -1.820 174.180 176.117 -0.194 0.000 0.987 90 I CA -2.718 58.467 61.300 -0.191 0.000 1.185 90 I CB 1.947 39.733 38.000 -0.356 0.000 1.341 90 I HN -0.112 nan 8.210 nan 0.000 0.455 91 P HA 0.129 nan 4.420 nan 0.000 0.272 91 P C -0.932 176.255 177.300 -0.189 0.000 1.223 91 P CA -0.299 62.589 63.100 -0.353 0.000 0.784 91 P CB 0.765 31.921 31.700 -0.907 0.000 0.923 92 M N 1.730 121.274 119.600 -0.094 0.000 2.263 92 M HA 0.559 5.039 4.480 -0.000 0.000 0.295 92 M C -0.536 175.797 176.300 0.055 0.000 1.028 92 M CA -0.461 54.841 55.300 0.004 0.000 0.921 92 M CB 2.027 34.648 32.600 0.035 0.000 1.601 92 M HN 0.438 nan 8.290 nan 0.000 0.440 93 G N 3.195 112.047 108.800 0.088 0.000 2.400 93 G HA2 0.581 4.541 3.960 -0.000 0.000 0.301 93 G HA3 0.581 4.541 3.960 -0.000 0.000 0.301 93 G C -0.551 174.423 174.900 0.123 0.000 1.154 93 G CA -0.586 44.586 45.100 0.120 0.000 0.852 93 G HN 0.776 nan 8.290 nan 0.000 0.511 94 V N 0.108 120.111 119.914 0.147 0.000 2.966 94 V HA 0.922 5.042 4.120 -0.000 0.000 0.317 94 V C 0.974 177.189 176.094 0.202 0.000 1.070 94 V CA -0.343 62.079 62.300 0.203 0.000 1.008 94 V CB 1.076 33.101 31.823 0.337 0.000 1.070 94 V HN 0.973 nan 8.190 nan 0.000 0.457 95 G N 0.637 109.586 108.800 0.248 0.000 2.684 95 G HA2 0.322 4.282 3.960 -0.000 0.000 0.255 95 G HA3 0.322 4.282 3.960 -0.000 0.000 0.255 95 G C 0.257 175.312 174.900 0.259 0.000 1.219 95 G CA 0.229 45.458 45.100 0.215 0.000 0.901 95 G HN 1.323 nan 8.290 nan 0.000 0.548 96 S N -0.989 114.805 115.700 0.157 0.000 2.593 96 S HA -0.042 4.428 4.470 -0.000 0.000 0.300 96 S C 1.199 175.819 174.600 0.034 0.000 1.267 96 S CA 0.276 58.545 58.200 0.115 0.000 1.065 96 S CB 0.347 63.640 63.200 0.155 0.000 0.807 96 S HN 0.581 nan 8.310 nan 0.000 0.499 97 Q N 3.284 122.960 119.800 -0.207 0.000 2.319 97 Q HA 0.151 4.491 4.340 -0.000 0.000 0.202 97 Q C 2.087 177.953 176.000 -0.223 0.000 0.896 97 Q CA -0.325 55.150 55.803 -0.545 0.000 0.942 97 Q CB 0.133 28.447 28.738 -0.706 0.000 1.083 97 Q HN 0.662 nan 8.270 nan 0.000 0.510 98 R N 0.555 121.020 120.500 -0.058 0.000 2.162 98 R HA -0.235 4.105 4.340 -0.000 0.000 0.245 98 R C 2.117 178.463 176.300 0.077 0.000 1.129 98 R CA 2.012 58.140 56.100 0.046 0.000 0.940 98 R CB -0.685 29.614 30.300 -0.001 0.000 0.875 98 R HN 0.254 nan 8.270 nan 0.000 0.437 99 V N 0.343 120.311 119.914 0.089 0.000 2.568 99 V HA -0.189 3.931 4.120 -0.000 0.000 0.253 99 V C 1.970 178.133 176.094 0.115 0.000 1.072 99 V CA 2.172 64.543 62.300 0.118 0.000 1.084 99 V CB -0.207 31.712 31.823 0.159 0.000 0.676 99 V HN 0.530 nan 8.190 nan 0.000 0.469 100 A N -0.775 122.094 122.820 0.082 0.000 2.095 100 A HA 0.155 4.475 4.320 -0.000 0.000 0.212 100 A C 1.951 179.533 177.584 -0.003 0.000 1.162 100 A CA 0.654 52.729 52.037 0.063 0.000 0.753 100 A CB -0.261 18.770 19.000 0.052 0.000 0.840 100 A HN 0.448 nan 8.150 nan 0.000 0.468 101 I N 0.601 121.158 120.570 -0.022 0.000 2.315 101 I HA -0.190 3.980 4.170 -0.000 0.000 0.248 101 I C 2.126 178.240 176.117 -0.005 0.000 1.117 101 I CA 1.496 62.779 61.300 -0.030 0.000 1.404 101 I CB -1.342 36.647 38.000 -0.019 0.000 1.071 101 I HN 0.461 nan 8.210 nan 0.000 0.419 102 E N 0.354 120.579 120.200 0.042 0.000 2.112 102 E HA -0.028 4.322 4.350 -0.000 0.000 0.190 102 E C 0.553 177.174 176.600 0.036 0.000 0.979 102 E CA 0.702 57.129 56.400 0.045 0.000 0.814 102 E CB 0.244 29.986 29.700 0.071 0.000 0.762 102 E HN 0.329 nan 8.360 nan 0.000 0.460 103 K N -0.284 120.144 120.400 0.046 0.000 2.502 103 K HA 0.387 4.707 4.320 -0.000 0.000 0.254 103 K C -0.156 176.475 176.600 0.051 0.000 0.947 103 K CA -0.302 56.013 56.287 0.047 0.000 0.834 103 K CB 1.888 34.422 32.500 0.057 0.000 1.112 103 K HN -0.048 nan 8.250 nan 0.000 0.427 104 A N 3.016 125.859 122.820 0.038 0.000 2.019 104 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 104 A C 1.377 178.992 177.584 0.052 0.000 1.164 104 A CA 1.450 53.511 52.037 0.040 0.000 0.644 104 A CB -0.262 18.754 19.000 0.027 0.000 0.805 104 A HN 0.806 nan 8.150 nan 0.000 0.449 105 E N 0.302 120.531 120.200 0.050 0.000 2.204 105 E HA -0.006 4.344 4.350 -0.000 0.000 0.195 105 E C 1.873 178.513 176.600 0.067 0.000 0.990 105 E CA 1.147 57.576 56.400 0.049 0.000 0.821 105 E CB -0.395 29.329 29.700 0.039 0.000 0.750 105 E HN 0.597 nan 8.360 nan 0.000 0.477 106 A N 0.619 123.497 122.820 0.097 0.000 2.169 106 A HA 0.019 4.339 4.320 -0.000 0.000 0.212 106 A C 1.818 179.546 177.584 0.239 0.000 1.153 106 A CA 0.334 52.460 52.037 0.149 0.000 0.756 106 A CB -0.103 19.009 19.000 0.188 0.000 0.813 106 A HN 0.039 nan 8.150 nan 0.000 0.471 107 R N -0.379 120.236 120.500 0.192 0.000 2.081 107 R HA -0.154 4.186 4.340 -0.000 0.000 0.235 107 R C 2.114 178.542 176.300 0.212 0.000 1.131 107 R CA 1.538 57.771 56.100 0.222 0.000 0.960 107 R CB -0.190 30.179 30.300 0.115 0.000 0.856 107 R HN 0.541 nan 8.270 nan 0.000 0.436 108 E N 0.919 121.188 120.200 0.115 0.000 2.118 108 E HA -0.158 4.192 4.350 -0.000 0.000 0.195 108 E C 1.701 178.321 176.600 0.033 0.000 0.992 108 E CA 1.858 58.300 56.400 0.070 0.000 0.804 108 E CB -0.085 29.639 29.700 0.040 0.000 0.741 108 E HN 0.301 nan 8.360 nan 0.000 0.458 109 S N -1.304 114.378 115.700 -0.030 0.000 2.507 109 S HA -0.080 4.390 4.470 -0.000 0.000 0.235 109 S C 1.621 176.010 174.600 -0.352 0.000 0.988 109 S CA 0.756 58.839 58.200 -0.195 0.000 0.944 109 S CB -0.491 62.538 63.200 -0.284 0.000 0.762 109 S HN 0.286 nan 8.310 nan 0.000 0.526 110 F N 1.429 121.393 119.950 0.023 0.000 2.343 110 F HA 0.477 5.004 4.527 -0.000 0.000 0.286 110 F C 2.784 178.598 175.800 0.023 0.000 1.057 110 F CA 0.221 58.235 58.000 0.024 0.000 1.365 110 F CB -0.847 38.166 39.000 0.021 0.000 1.114 110 F HN 0.234 nan 8.300 nan 0.000 0.545 111 A N 0.412 123.356 122.820 0.206 0.000 1.940 111 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 111 A C 2.095 179.727 177.584 0.081 0.000 1.176 111 A CA 1.684 53.794 52.037 0.122 0.000 0.631 111 A CB -1.118 17.939 19.000 0.094 0.000 0.814 111 A HN 0.359 nan 8.150 nan 0.000 0.446 112 I N -0.148 120.457 120.570 0.059 0.000 2.300 112 I HA -0.220 3.950 4.170 -0.000 0.000 0.252 112 I C 2.230 178.372 176.117 0.042 0.000 1.119 112 I CA 1.369 62.691 61.300 0.037 0.000 1.384 112 I CB -0.266 37.742 38.000 0.013 0.000 1.062 112 I HN 0.124 nan 8.210 nan 0.000 0.426 113 V N 0.657 120.604 119.914 0.055 0.000 2.282 113 V HA -0.322 3.798 4.120 -0.000 0.000 0.249 113 V C 2.701 178.830 176.094 0.058 0.000 1.057 113 V CA 2.336 64.673 62.300 0.061 0.000 1.032 113 V CB -0.821 31.053 31.823 0.086 0.000 0.645 113 V HN 0.439 nan 8.190 nan 0.000 0.447 114 R N 0.248 120.784 120.500 0.061 0.000 2.153 114 R HA -0.024 4.316 4.340 -0.000 0.000 0.218 114 R C 2.131 178.455 176.300 0.041 0.000 1.072 114 R CA 1.288 57.419 56.100 0.051 0.000 0.990 114 R CB -0.381 29.950 30.300 0.052 0.000 0.889 114 R HN 0.456 nan 8.270 nan 0.000 0.452 115 K N -0.893 119.531 120.400 0.039 0.000 2.057 115 K HA -0.059 4.261 4.320 -0.000 0.000 0.207 115 K C 1.565 178.183 176.600 0.030 0.000 1.049 115 K CA 1.523 57.829 56.287 0.032 0.000 0.931 115 K CB -0.031 32.487 32.500 0.030 0.000 0.714 115 K HN 0.031 nan 8.250 nan 0.000 0.440 116 V N -0.100 119.834 119.914 0.033 0.000 3.590 116 V HA 0.117 4.237 4.120 -0.000 0.000 0.265 116 V C 0.125 176.240 176.094 0.034 0.000 1.239 116 V CA 0.510 62.830 62.300 0.033 0.000 1.117 116 V CB 0.820 32.664 31.823 0.035 0.000 0.818 116 V HN 0.220 nan 8.190 nan 0.000 0.451 117 A N 0.678 123.519 122.820 0.035 0.000 3.159 117 A HA 0.557 4.877 4.320 -0.000 0.000 0.330 117 A C -1.703 175.899 177.584 0.029 0.000 1.032 117 A CA -0.807 51.249 52.037 0.033 0.000 0.841 117 A CB 0.484 19.507 19.000 0.037 0.000 1.093 117 A HN 0.232 nan 8.150 nan 0.000 0.478 118 P HA -0.098 nan 4.420 nan 0.000 0.225 118 P C 1.289 178.603 177.300 0.023 0.000 1.156 118 P CA 1.903 65.017 63.100 0.024 0.000 0.787 118 P CB 0.185 31.897 31.700 0.020 0.000 0.802 119 T N -2.692 111.873 114.554 0.019 0.000 3.038 119 T HA 0.142 4.492 4.350 -0.000 0.000 0.244 119 T C 1.269 175.981 174.700 0.020 0.000 1.016 119 T CA -0.212 61.898 62.100 0.018 0.000 1.098 119 T CB -1.122 67.752 68.868 0.011 0.000 0.954 119 T HN 0.082 nan 8.240 nan 0.000 0.469 120 I N 1.035 121.610 120.570 0.009 0.000 2.993 120 I HA 0.390 4.560 4.170 -0.000 0.000 0.286 120 I C -2.813 173.309 176.117 0.007 0.000 1.215 120 I CA -2.322 58.973 61.300 -0.008 0.000 1.393 120 I CB -0.334 37.645 38.000 -0.034 0.000 1.371 120 I HN -0.125 nan 8.210 nan 0.000 0.602 121 P HA 0.191 nan 4.420 nan 0.000 0.267 121 P C -0.807 176.508 177.300 0.025 0.000 1.205 121 P CA 0.213 63.346 63.100 0.055 0.000 0.765 121 P CB 0.413 32.133 31.700 0.034 0.000 0.828 122 I N 4.719 125.345 120.570 0.093 0.000 2.465 122 I HA 0.362 4.532 4.170 -0.000 0.000 0.291 122 I C 0.012 176.211 176.117 0.136 0.000 1.014 122 I CA -0.757 60.597 61.300 0.089 0.000 1.093 122 I CB 1.600 39.646 38.000 0.077 0.000 1.267 122 I HN 0.199 nan 8.210 nan 0.000 0.431 123 I N 4.856 125.513 120.570 0.144 0.000 2.389 123 I HA 0.526 4.696 4.170 -0.000 0.000 0.288 123 I C 0.661 176.846 176.117 0.112 0.000 0.999 123 I CA -0.180 61.224 61.300 0.173 0.000 1.129 123 I CB 1.689 39.843 38.000 0.257 0.000 1.288 123 I HN 0.642 nan 8.210 nan 0.000 0.444 124 A N 5.093 127.951 122.820 0.064 0.000 2.292 124 A HA 0.576 4.896 4.320 -0.000 0.000 0.265 124 A C -0.004 177.573 177.584 -0.012 0.000 1.133 124 A CA -0.238 51.799 52.037 -0.001 0.000 0.807 124 A CB 0.378 19.340 19.000 -0.063 0.000 1.102 124 A HN 0.746 nan 8.150 nan 0.000 0.502 125 N N -0.416 118.237 118.700 -0.078 0.000 2.503 125 N HA 0.514 5.254 4.740 -0.000 0.000 0.287 125 N C -1.923 173.497 175.510 -0.150 0.000 1.096 125 N CA -0.215 52.804 53.050 -0.052 0.000 0.936 125 N CB 1.143 39.666 38.487 0.059 0.000 1.570 125 N HN 0.571 nan 8.380 nan 0.000 0.504 126 L N 0.780 121.860 121.223 -0.239 0.000 2.359 126 L HA 0.674 5.014 4.340 -0.000 0.000 0.256 126 L C 0.807 177.349 176.870 -0.546 0.000 1.026 126 L CA -1.124 53.505 54.840 -0.351 0.000 0.828 126 L CB 2.097 43.833 42.059 -0.538 0.000 1.406 126 L HN 0.498 nan 8.230 nan 0.000 0.413 127 G N -0.056 108.329 108.800 -0.693 0.000 2.377 127 G HA2 0.381 4.341 3.960 -0.000 0.000 0.299 127 G HA3 0.381 4.341 3.960 -0.000 0.000 0.299 127 G C 0.428 175.028 174.900 -0.501 0.000 1.150 127 G CA -0.475 44.000 45.100 -1.041 0.000 0.847 127 G HN 0.639 nan 8.290 nan 0.000 0.501 128 M N 2.927 122.305 119.600 -0.370 0.000 2.106 128 M HA -0.032 4.448 4.480 -0.000 0.000 0.259 128 M C -0.400 175.699 176.300 -0.335 0.000 1.068 128 M CA 1.765 56.934 55.300 -0.218 0.000 1.100 128 M CB -0.715 31.854 32.600 -0.051 0.000 1.351 128 M HN 0.378 nan 8.290 nan 0.000 0.404 129 P HA -0.106 nan 4.420 nan 0.000 0.220 129 P C 1.139 178.258 177.300 -0.302 0.000 1.148 129 P CA 1.076 63.897 63.100 -0.464 0.000 0.803 129 P CB -0.082 31.359 31.700 -0.432 0.000 0.782 130 Q N -0.495 119.099 119.800 -0.342 0.000 2.173 130 Q HA -0.161 4.179 4.340 -0.000 0.000 0.208 130 Q C 1.938 177.848 176.000 -0.150 0.000 0.989 130 Q CA 1.401 56.946 55.803 -0.430 0.000 0.872 130 Q CB -1.174 27.065 28.738 -0.832 0.000 0.909 130 Q HN 0.263 nan 8.270 nan 0.000 0.420 131 L N -0.565 120.615 121.223 -0.073 0.000 2.275 131 L HA -0.098 4.242 4.340 -0.000 0.000 0.215 131 L C 1.807 178.696 176.870 0.032 0.000 1.119 131 L CA 0.633 55.475 54.840 0.004 0.000 0.790 131 L CB -0.258 41.765 42.059 -0.061 0.000 0.919 131 L HN 0.223 nan 8.230 nan 0.000 0.443 132 V N -4.884 115.032 119.914 0.003 0.000 3.650 132 V HA 0.051 4.171 4.120 -0.000 0.000 0.271 132 V C 1.432 177.558 176.094 0.052 0.000 1.281 132 V CA 0.322 62.678 62.300 0.093 0.000 1.120 132 V CB -0.327 31.520 31.823 0.040 0.000 0.856 132 V HN 0.259 nan 8.190 nan 0.000 0.443 133 K N 1.791 122.200 120.400 0.013 0.000 2.500 133 K HA 0.480 4.800 4.320 -0.000 0.000 0.206 133 K C 1.084 177.757 176.600 0.122 0.000 1.034 133 K CA 0.407 56.712 56.287 0.029 0.000 1.179 133 K CB 0.191 32.670 32.500 -0.035 0.000 0.884 133 K HN 0.687 nan 8.250 nan 0.000 0.493 134 G N 1.391 110.287 108.800 0.160 0.000 2.289 134 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.280 134 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.280 134 G C -0.720 174.360 174.900 0.300 0.000 1.089 134 G CA -0.265 44.950 45.100 0.190 0.000 0.939 134 G HN 0.213 nan 8.290 nan 0.000 0.499 135 Y N -0.198 120.135 120.300 0.055 0.000 2.334 135 Y HA 0.654 5.204 4.550 0.000 0.000 0.328 135 Y C 1.060 177.002 175.900 0.070 0.000 1.130 135 Y CA -0.088 58.064 58.100 0.087 0.000 1.163 135 Y CB 1.917 40.460 38.460 0.139 0.000 1.207 135 Y HN 0.415 nan 8.280 nan 0.000 0.471 136 G N 1.322 110.199 108.800 0.129 0.000 3.085 136 G HA2 0.202 4.162 3.960 -0.000 0.000 0.264 136 G HA3 0.202 4.162 3.960 -0.000 0.000 0.264 136 G C 0.320 175.212 174.900 -0.013 0.000 1.206 136 G CA -0.662 44.438 45.100 0.000 0.000 0.809 136 G HN 0.682 nan 8.290 nan 0.000 0.592 137 L N -0.106 121.065 121.223 -0.086 0.000 1.997 137 L HA -0.147 4.193 4.340 -0.000 0.000 0.216 137 L C 2.935 179.821 176.870 0.027 0.000 1.074 137 L CA 2.689 57.489 54.840 -0.066 0.000 0.763 137 L CB -0.191 41.826 42.059 -0.071 0.000 0.890 137 L HN 0.652 nan 8.230 nan 0.000 0.434 138 K N 0.327 120.726 120.400 -0.002 0.000 2.057 138 K HA -0.237 4.083 4.320 -0.000 0.000 0.207 138 K C 1.744 178.337 176.600 -0.012 0.000 1.049 138 K CA 1.808 58.086 56.287 -0.014 0.000 0.931 138 K CB -0.090 32.383 32.500 -0.045 0.000 0.714 138 K HN 0.231 nan 8.250 nan 0.000 0.440 139 E N -0.297 119.884 120.200 -0.032 0.000 2.077 139 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 139 E C 1.745 178.364 176.600 0.031 0.000 0.989 139 E CA 1.604 57.940 56.400 -0.106 0.000 0.800 139 E CB -0.283 29.175 29.700 -0.402 0.000 0.746 139 E HN 0.337 nan 8.360 nan 0.000 0.452 140 F N 1.013 120.930 119.950 -0.055 0.000 2.102 140 F HA -0.230 4.297 4.527 -0.000 0.000 0.298 140 F C 2.473 178.244 175.800 -0.048 0.000 1.105 140 F CA 1.283 59.263 58.000 -0.034 0.000 1.239 140 F CB -0.158 38.823 39.000 -0.033 0.000 0.991 140 F HN 0.010 nan 8.300 nan 0.000 0.474 141 Q N 0.020 119.903 119.800 0.138 0.000 2.096 141 Q HA -0.228 4.112 4.340 -0.000 0.000 0.204 141 Q C 1.689 177.691 176.000 0.003 0.000 0.982 141 Q CA 1.745 57.577 55.803 0.048 0.000 0.850 141 Q CB -0.258 28.495 28.738 0.025 0.000 0.901 141 Q HN 0.356 nan 8.270 nan 0.000 0.422 142 D N 0.204 120.593 120.400 -0.018 0.000 2.144 142 D HA -0.107 4.533 4.640 -0.000 0.000 0.200 142 D C 1.753 178.011 176.300 -0.071 0.000 0.978 142 D CA 1.266 55.238 54.000 -0.047 0.000 0.833 142 D CB -0.251 40.510 40.800 -0.066 0.000 0.961 142 D HN 0.269 nan 8.370 nan 0.000 0.470 143 A N 0.669 123.427 122.820 -0.103 0.000 1.877 143 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 143 A C 2.359 179.881 177.584 -0.103 0.000 1.186 143 A CA 1.039 52.983 52.037 -0.155 0.000 0.620 143 A CB -0.780 18.080 19.000 -0.233 0.000 0.822 143 A HN 0.189 nan 8.150 nan 0.000 0.443 144 I N -0.544 119.988 120.570 -0.063 0.000 2.142 144 I HA -0.283 3.887 4.170 -0.000 0.000 0.240 144 I C 2.831 178.941 176.117 -0.012 0.000 1.078 144 I CA 1.753 63.038 61.300 -0.025 0.000 1.343 144 I CB -0.319 37.679 38.000 -0.002 0.000 1.046 144 I HN 0.453 nan 8.210 nan 0.000 0.405 145 Q N 1.207 120.999 119.800 -0.012 0.000 2.124 145 Q HA -0.251 4.089 4.340 -0.000 0.000 0.202 145 Q C 2.188 178.189 176.000 0.001 0.000 0.977 145 Q CA 1.787 57.588 55.803 -0.004 0.000 0.850 145 Q CB -0.324 28.411 28.738 -0.006 0.000 0.901 145 Q HN 0.542 nan 8.270 nan 0.000 0.429 146 M N 0.620 120.215 119.600 -0.009 0.000 2.267 146 M HA -0.135 4.345 4.480 -0.000 0.000 0.263 146 M C 1.496 177.818 176.300 0.037 0.000 1.063 146 M CA 1.582 56.885 55.300 0.006 0.000 1.090 146 M CB 0.025 32.610 32.600 -0.025 0.000 1.392 146 M HN 0.362 nan 8.290 nan 0.000 0.422 147 I N -3.355 117.235 120.570 0.034 0.000 4.102 147 I HA 0.299 4.469 4.170 -0.000 0.000 0.325 147 I C -0.735 175.409 176.117 0.046 0.000 1.471 147 I CA -0.399 60.935 61.300 0.057 0.000 1.133 147 I CB -0.174 37.876 38.000 0.083 0.000 1.184 147 I HN 0.151 nan 8.210 nan 0.000 0.451 148 E N 2.012 122.231 120.200 0.032 0.000 2.183 148 E HA -0.213 4.137 4.350 -0.000 0.000 0.196 148 E C 0.561 177.184 176.600 0.037 0.000 1.364 148 E CA 0.310 56.728 56.400 0.029 0.000 0.700 148 E CB -1.107 28.610 29.700 0.029 0.000 1.106 148 E HN 0.725 nan 8.360 nan 0.000 0.347 149 A N 1.069 123.909 122.820 0.034 0.000 2.483 149 A HA 0.011 4.331 4.320 -0.000 0.000 0.238 149 A C 0.970 178.584 177.584 0.050 0.000 1.070 149 A CA 0.195 52.261 52.037 0.048 0.000 0.770 149 A CB 0.378 19.399 19.000 0.035 0.000 1.008 149 A HN 0.332 nan 8.150 nan 0.000 0.497 150 D N 0.115 120.569 120.400 0.089 0.000 2.360 150 D HA 0.381 5.021 4.640 -0.000 0.000 0.210 150 D C 0.408 176.723 176.300 0.024 0.000 1.047 150 D CA 1.399 55.454 54.000 0.092 0.000 0.854 150 D CB 0.476 41.392 40.800 0.193 0.000 0.936 150 D HN 0.736 nan 8.370 nan 0.000 0.514 151 A N 0.480 123.327 122.820 0.044 0.000 2.586 151 A HA 0.592 4.912 4.320 -0.000 0.000 0.291 151 A C -1.841 175.763 177.584 0.034 0.000 1.062 151 A CA -0.659 51.354 52.037 -0.041 0.000 0.666 151 A CB 1.304 20.324 19.000 0.033 0.000 1.281 151 A HN 0.070 nan 8.150 nan 0.000 0.421 152 I N 0.774 121.352 120.570 0.014 0.000 2.465 152 I HA 0.716 4.886 4.170 -0.000 0.000 0.291 152 I C 0.145 176.294 176.117 0.054 0.000 1.014 152 I CA -0.692 60.623 61.300 0.025 0.000 1.093 152 I CB 1.648 39.644 38.000 -0.006 0.000 1.267 152 I HN 1.013 nan 8.210 nan 0.000 0.431 153 A N 7.052 129.908 122.820 0.060 0.000 2.301 153 A HA 0.564 4.884 4.320 -0.000 0.000 0.298 153 A C -0.781 176.820 177.584 0.027 0.000 1.185 153 A CA -0.441 51.645 52.037 0.082 0.000 0.830 153 A CB 1.157 20.231 19.000 0.124 0.000 1.112 153 A HN 0.728 nan 8.150 nan 0.000 0.508 154 V N 5.673 125.611 119.914 0.041 0.000 2.370 154 V HA 0.529 4.649 4.120 -0.000 0.000 0.283 154 V C -0.130 175.973 176.094 0.016 0.000 1.023 154 V CA -0.669 61.620 62.300 -0.018 0.000 0.857 154 V CB 0.887 32.731 31.823 0.035 0.000 0.985 154 V HN 1.007 nan 8.190 nan 0.000 0.443 155 H N 6.105 125.182 119.070 0.012 0.000 2.467 155 H HA 0.586 5.142 4.556 0.000 0.000 0.331 155 H C -1.347 174.019 175.328 0.064 0.000 1.120 155 H CA -1.095 54.963 56.048 0.017 0.000 1.270 155 H CB 1.709 31.448 29.762 -0.039 0.000 1.466 155 H HN 0.634 nan 8.280 nan 0.000 0.504 156 L N 3.623 124.997 121.223 0.252 0.000 2.287 156 L HA 0.180 4.520 4.340 -0.000 0.000 0.287 156 L C 0.087 177.062 176.870 0.177 0.000 1.022 156 L CA -0.750 54.241 54.840 0.251 0.000 0.814 156 L CB 1.071 43.218 42.059 0.146 0.000 1.217 156 L HN 0.749 nan 8.230 nan 0.000 0.420 157 N N 2.855 121.689 118.700 0.223 0.000 2.628 157 N HA 0.138 4.878 4.740 -0.000 0.000 0.299 157 N C -2.317 173.227 175.510 0.057 0.000 1.834 157 N CA -1.359 51.727 53.050 0.060 0.000 0.871 157 N CB 0.453 38.897 38.487 -0.072 0.000 1.377 157 N HN 0.206 nan 8.380 nan 0.000 0.493 158 P HA -0.081 nan 4.420 nan 0.000 0.217 158 P C 1.355 178.603 177.300 -0.087 0.000 1.150 158 P CA 1.405 64.415 63.100 -0.149 0.000 0.832 158 P CB 0.272 31.658 31.700 -0.523 0.000 0.787 159 A N 0.591 123.395 122.820 -0.028 0.000 1.877 159 A HA -0.244 4.076 4.320 -0.000 0.000 0.216 159 A C 2.549 180.209 177.584 0.126 0.000 1.186 159 A CA 1.971 54.033 52.037 0.041 0.000 0.620 159 A CB -1.678 17.431 19.000 0.181 0.000 0.822 159 A HN 0.228 nan 8.150 nan 0.000 0.443 160 Q N -0.290 119.584 119.800 0.122 0.000 2.096 160 Q HA -0.259 4.081 4.340 -0.000 0.000 0.204 160 Q C 1.884 177.932 176.000 0.081 0.000 0.982 160 Q CA 2.065 57.954 55.803 0.143 0.000 0.850 160 Q CB -0.200 28.561 28.738 0.039 0.000 0.901 160 Q HN 0.793 nan 8.270 nan 0.000 0.422 161 E N -0.484 119.728 120.200 0.020 0.000 2.106 161 E HA -0.138 4.212 4.350 -0.000 0.000 0.192 161 E C 2.114 178.645 176.600 -0.115 0.000 0.984 161 E CA 1.148 57.544 56.400 -0.007 0.000 0.806 161 E CB 0.098 29.825 29.700 0.045 0.000 0.750 161 E HN 0.197 nan 8.360 nan 0.000 0.458 162 V N 0.541 120.298 119.914 -0.262 0.000 2.332 162 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 162 V C 1.631 177.308 176.094 -0.695 0.000 1.055 162 V CA 1.743 63.694 62.300 -0.582 0.000 1.038 162 V CB -0.346 30.897 31.823 -0.966 0.000 0.651 162 V HN 0.215 nan 8.190 nan 0.000 0.450 163 F N -0.316 119.525 119.950 -0.182 0.000 2.746 163 F HA 0.185 4.712 4.527 0.000 0.000 0.297 163 F C 1.486 177.212 175.800 -0.123 0.000 1.113 163 F CA -0.491 57.392 58.000 -0.194 0.000 1.367 163 F CB -0.298 38.593 39.000 -0.183 0.000 1.111 163 F HN 0.249 nan 8.300 nan 0.000 0.590 164 Q N 2.381 122.219 119.800 0.063 0.000 2.421 164 Q HA 0.076 4.416 4.340 -0.000 0.000 0.255 164 Q C -2.090 173.916 176.000 0.010 0.000 1.013 164 Q CA -1.522 54.324 55.803 0.072 0.000 0.895 164 Q CB 0.491 29.293 28.738 0.105 0.000 1.271 164 Q HN -0.006 nan 8.270 nan 0.000 0.460 165 P HA -0.206 nan 4.420 nan 0.000 0.216 165 P C -0.277 177.035 177.300 0.019 0.000 1.150 165 P CA 1.601 64.705 63.100 0.008 0.000 0.843 165 P CB 0.023 31.739 31.700 0.026 0.000 0.787 166 E N 0.375 120.590 120.200 0.025 0.000 2.179 166 E HA 0.478 4.828 4.350 -0.000 0.000 0.275 166 E C 0.478 177.087 176.600 0.015 0.000 0.945 166 E CA -0.650 55.766 56.400 0.026 0.000 0.792 166 E CB 1.414 31.131 29.700 0.029 0.000 1.125 166 E HN 0.186 nan 8.360 nan 0.000 0.397 167 G N 2.680 111.487 108.800 0.013 0.000 2.725 167 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.220 167 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.220 167 G C -0.991 173.901 174.900 -0.013 0.000 1.357 167 G CA -0.065 45.036 45.100 0.003 0.000 0.866 167 G HN 0.992 nan 8.290 nan 0.000 0.548 168 E N -0.824 119.366 120.200 -0.016 0.000 2.372 168 E HA 0.633 4.983 4.350 -0.000 0.000 0.279 168 E C -3.018 173.578 176.600 -0.006 0.000 0.946 168 E CA -2.013 54.370 56.400 -0.028 0.000 0.769 168 E CB 2.676 32.358 29.700 -0.030 0.000 1.230 168 E HN 0.555 nan 8.360 nan 0.000 0.442 169 P HA 0.140 nan 4.420 nan 0.000 0.271 169 P C -0.949 176.419 177.300 0.114 0.000 1.218 169 P CA -0.119 63.054 63.100 0.123 0.000 0.780 169 P CB 0.710 32.531 31.700 0.202 0.000 0.901 170 E N 1.388 121.609 120.200 0.034 0.000 2.283 170 E HA 0.238 4.588 4.350 -0.000 0.000 0.258 170 E C -1.248 175.233 176.600 -0.199 0.000 0.893 170 E CA -0.253 56.128 56.400 -0.032 0.000 0.798 170 E CB 1.083 30.725 29.700 -0.096 0.000 1.242 170 E HN 0.424 nan 8.360 nan 0.000 0.414 171 Y N 1.271 121.567 120.300 -0.008 0.000 2.634 171 Y HA 0.167 4.717 4.550 0.000 0.000 0.292 171 Y C -0.132 175.769 175.900 0.002 0.000 0.996 171 Y CA -0.710 57.386 58.100 -0.006 0.000 1.165 171 Y CB 0.651 39.109 38.460 -0.003 0.000 1.194 171 Y HN 0.402 nan 8.280 nan 0.000 0.585 172 Q N 0.560 120.411 119.800 0.086 0.000 2.395 172 Q HA 0.075 4.415 4.340 -0.000 0.000 0.271 172 Q C 1.587 177.624 176.000 0.062 0.000 1.026 172 Q CA 0.196 56.047 55.803 0.081 0.000 0.900 172 Q CB 0.822 29.607 28.738 0.080 0.000 1.266 172 Q HN 0.663 nan 8.270 nan 0.000 0.430 173 I N -1.160 119.440 120.570 0.051 0.000 2.567 173 I HA -0.248 3.922 4.170 -0.000 0.000 0.257 173 I C 1.765 177.847 176.117 -0.058 0.000 1.184 173 I CA 1.157 62.438 61.300 -0.030 0.000 1.451 173 I CB -0.525 37.480 38.000 0.007 0.000 1.089 173 I HN 0.681 nan 8.210 nan 0.000 0.441 174 Y N 2.480 122.743 120.300 -0.061 0.000 2.241 174 Y HA -0.322 4.228 4.550 0.000 0.000 0.286 174 Y C 2.592 178.438 175.900 -0.090 0.000 1.166 174 Y CA 1.623 59.690 58.100 -0.056 0.000 1.203 174 Y CB -0.198 38.241 38.460 -0.034 0.000 0.977 174 Y HN 0.234 nan 8.280 nan 0.000 0.529 175 A N -0.074 122.637 122.820 -0.183 0.000 1.940 175 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 175 A C 2.016 179.401 177.584 -0.331 0.000 1.176 175 A CA 1.874 53.758 52.037 -0.256 0.000 0.631 175 A CB -0.944 17.973 19.000 -0.139 0.000 0.814 175 A HN 0.474 nan 8.150 nan 0.000 0.446 176 L N -0.232 120.768 121.223 -0.373 0.000 2.072 176 L HA -0.078 4.262 4.340 -0.000 0.000 0.205 176 L C 2.334 178.943 176.870 -0.434 0.000 1.079 176 L CA 1.922 56.452 54.840 -0.518 0.000 0.752 176 L CB -1.083 40.375 42.059 -1.002 0.000 0.906 176 L HN 0.495 nan 8.230 nan 0.000 0.436 177 E N -0.597 119.390 120.200 -0.355 0.000 2.058 177 E HA -0.295 4.055 4.350 -0.000 0.000 0.194 177 E C 2.143 178.602 176.600 -0.234 0.000 0.997 177 E CA 1.502 57.834 56.400 -0.113 0.000 0.801 177 E CB -0.102 29.556 29.700 -0.070 0.000 0.746 177 E HN 0.313 nan 8.360 nan 0.000 0.450 178 K N 0.976 121.094 120.400 -0.470 0.000 2.057 178 K HA -0.117 4.203 4.320 -0.000 0.000 0.207 178 K C 2.130 178.528 176.600 -0.336 0.000 1.049 178 K CA 0.815 56.833 56.287 -0.449 0.000 0.931 178 K CB -0.129 31.989 32.500 -0.637 0.000 0.714 178 K HN 0.077 nan 8.250 nan 0.000 0.440 179 L N 0.791 121.828 121.223 -0.310 0.000 2.042 179 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 179 L C 2.696 179.447 176.870 -0.198 0.000 1.076 179 L CA 1.550 56.227 54.840 -0.272 0.000 0.749 179 L CB -0.336 41.614 42.059 -0.181 0.000 0.893 179 L HN 0.320 nan 8.230 nan 0.000 0.432 180 R N -0.172 120.260 120.500 -0.113 0.000 2.091 180 R HA -0.203 4.137 4.340 -0.000 0.000 0.238 180 R C 1.808 178.055 176.300 -0.089 0.000 1.136 180 R CA 2.014 58.090 56.100 -0.041 0.000 0.959 180 R CB -0.128 30.224 30.300 0.088 0.000 0.856 180 R HN 0.402 nan 8.270 nan 0.000 0.437 181 D N 0.462 120.791 120.400 -0.119 0.000 2.097 181 D HA -0.146 4.494 4.640 -0.000 0.000 0.195 181 D C 1.961 178.169 176.300 -0.152 0.000 0.989 181 D CA 1.352 55.280 54.000 -0.120 0.000 0.827 181 D CB -0.215 40.513 40.800 -0.121 0.000 0.966 181 D HN 0.309 nan 8.370 nan 0.000 0.456 182 I N 1.360 121.792 120.570 -0.230 0.000 2.208 182 I HA -0.277 3.893 4.170 -0.000 0.000 0.245 182 I C 2.382 178.377 176.117 -0.203 0.000 1.097 182 I CA 1.305 62.435 61.300 -0.284 0.000 1.363 182 I CB -0.347 37.317 38.000 -0.559 0.000 1.051 182 I HN -0.001 nan 8.210 nan 0.000 0.413 183 S N 0.338 115.934 115.700 -0.173 0.000 2.469 183 S HA -0.149 4.321 4.470 -0.000 0.000 0.238 183 S C 1.886 176.430 174.600 -0.094 0.000 0.998 183 S CA 0.825 58.954 58.200 -0.117 0.000 0.957 183 S CB -0.170 62.971 63.200 -0.098 0.000 0.764 183 S HN 0.242 nan 8.310 nan 0.000 0.514 184 K N 1.597 121.941 120.400 -0.094 0.000 2.186 184 K HA 0.135 4.455 4.320 -0.000 0.000 0.202 184 K C 1.908 178.467 176.600 -0.068 0.000 1.052 184 K CA 1.064 57.306 56.287 -0.074 0.000 0.965 184 K CB -0.194 32.265 32.500 -0.070 0.000 0.746 184 K HN 0.663 nan 8.250 nan 0.000 0.457 185 E N -0.207 119.948 120.200 -0.075 0.000 2.481 185 E HA 0.031 4.381 4.350 -0.000 0.000 0.198 185 E C -0.105 176.464 176.600 -0.053 0.000 1.027 185 E CA -0.179 56.184 56.400 -0.061 0.000 0.900 185 E CB 0.204 29.866 29.700 -0.065 0.000 0.993 185 E HN -0.009 nan 8.360 nan 0.000 0.482 186 L N 2.141 123.329 121.223 -0.059 0.000 2.334 186 L HA 0.099 4.439 4.340 -0.000 0.000 0.277 186 L C 1.159 177.999 176.870 -0.049 0.000 1.075 186 L CA 0.004 54.819 54.840 -0.041 0.000 0.804 186 L CB 1.674 43.713 42.059 -0.034 0.000 1.174 186 L HN -0.091 nan 8.230 nan 0.000 0.438 187 S N 1.488 117.163 115.700 -0.041 0.000 2.575 187 S HA 0.195 4.665 4.470 -0.000 0.000 0.215 187 S C 0.217 174.774 174.600 -0.072 0.000 0.966 187 S CA 0.116 58.287 58.200 -0.049 0.000 0.911 187 S CB -0.429 62.751 63.200 -0.034 0.000 0.780 187 S HN 0.410 nan 8.310 nan 0.000 0.514 188 V N -2.143 117.719 119.914 -0.087 0.000 2.960 188 V HA 0.769 4.889 4.120 -0.000 0.000 0.315 188 V C -3.229 172.738 176.094 -0.212 0.000 1.087 188 V CA -2.906 59.304 62.300 -0.149 0.000 0.982 188 V CB 1.082 32.838 31.823 -0.112 0.000 1.039 188 V HN -0.069 nan 8.190 nan 0.000 0.437 189 P HA 0.495 nan 4.420 nan 0.000 0.274 189 P C -0.724 176.414 177.300 -0.269 0.000 1.237 189 P CA -0.157 62.683 63.100 -0.434 0.000 0.793 189 P CB 0.490 31.630 31.700 -0.933 0.000 0.977 190 I N 1.959 122.442 120.570 -0.145 0.000 2.359 190 I HA 0.317 4.487 4.170 -0.000 0.000 0.294 190 I C 0.200 176.307 176.117 -0.016 0.000 0.987 190 I CA -0.495 60.782 61.300 -0.038 0.000 1.225 190 I CB 0.703 38.700 38.000 -0.005 0.000 1.366 190 I HN 0.107 nan 8.210 nan 0.000 0.466 191 I N 6.536 127.137 120.570 0.051 0.000 2.377 191 I HA 0.333 4.503 4.170 -0.000 0.000 0.293 191 I C -0.466 175.673 176.117 0.038 0.000 0.987 191 I CA -0.841 60.503 61.300 0.074 0.000 1.185 191 I CB 1.750 39.871 38.000 0.203 0.000 1.341 191 I HN 0.153 nan 8.210 nan 0.000 0.455 192 V N 6.807 126.701 119.914 -0.033 0.000 2.407 192 V HA 0.373 4.493 4.120 -0.000 0.000 0.278 192 V C 0.024 176.196 176.094 0.130 0.000 1.037 192 V CA -0.567 61.761 62.300 0.047 0.000 0.900 192 V CB 1.238 33.088 31.823 0.045 0.000 0.983 192 V HN 0.775 nan 8.190 nan 0.000 0.459 193 K N 3.420 123.907 120.400 0.144 0.000 2.375 193 K HA 0.711 5.031 4.320 -0.000 0.000 0.249 193 K C -0.523 176.162 176.600 0.142 0.000 0.942 193 K CA -0.882 55.495 56.287 0.151 0.000 0.806 193 K CB 2.742 35.323 32.500 0.135 0.000 1.227 193 K HN 0.387 nan 8.250 nan 0.000 0.430 194 E N 0.580 120.850 120.200 0.116 0.000 3.188 194 E HA 0.278 4.628 4.350 -0.000 0.000 0.262 194 E C -0.448 176.173 176.600 0.036 0.000 1.341 194 E CA -0.443 56.008 56.400 0.084 0.000 1.140 194 E CB 1.311 31.056 29.700 0.075 0.000 1.306 194 E HN 0.682 nan 8.360 nan 0.000 0.694 195 S N -0.858 114.838 115.700 -0.007 0.000 2.825 195 S HA 0.377 4.847 4.470 -0.000 0.000 0.242 195 S C 0.355 174.962 174.600 0.013 0.000 0.980 195 S CA 0.110 58.240 58.200 -0.118 0.000 1.107 195 S CB 0.898 63.883 63.200 -0.359 0.000 1.172 195 S HN 0.690 nan 8.310 nan 0.000 0.483 196 G N 2.112 110.976 108.800 0.107 0.000 2.192 196 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.193 196 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.193 196 G C 0.362 175.342 174.900 0.133 0.000 0.999 196 G CA -0.124 45.084 45.100 0.181 0.000 0.659 196 G HN 0.498 nan 8.290 nan 0.000 0.503 197 N N 0.785 119.553 118.700 0.113 0.000 2.159 197 N HA 0.400 5.140 4.740 -0.000 0.000 0.217 197 N C 0.973 176.512 175.510 0.049 0.000 1.223 197 N CA 1.002 54.123 53.050 0.119 0.000 0.896 197 N CB 1.682 40.308 38.487 0.232 0.000 1.064 197 N HN 1.509 nan 8.380 nan 0.000 0.518 198 G N 1.704 110.521 108.800 0.028 0.000 2.733 198 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.686 198 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.686 198 G C -0.794 174.116 174.900 0.018 0.000 1.373 198 G CA -0.771 44.324 45.100 -0.009 0.000 0.838 198 G HN 0.133 nan 8.290 nan 0.000 0.588 199 I N 1.857 122.432 120.570 0.009 0.000 2.339 199 I HA 0.426 4.596 4.170 -0.000 0.000 0.290 199 I C 1.113 177.231 176.117 0.002 0.000 0.994 199 I CA -0.383 60.931 61.300 0.024 0.000 1.191 199 I CB 1.588 39.612 38.000 0.039 0.000 1.343 199 I HN 0.813 nan 8.210 nan 0.000 0.458 200 S N 6.146 121.864 115.700 0.031 0.000 2.669 200 S HA 0.311 4.781 4.470 -0.000 0.000 0.270 200 S C 1.205 175.819 174.600 0.023 0.000 1.225 200 S CA -0.859 57.373 58.200 0.053 0.000 0.991 200 S CB 1.319 64.565 63.200 0.077 0.000 0.987 200 S HN 0.805 nan 8.310 nan 0.000 0.552 201 M N -0.671 118.956 119.600 0.046 0.000 2.213 201 M HA -0.059 4.421 4.480 -0.000 0.000 0.263 201 M C 1.165 177.486 176.300 0.035 0.000 1.062 201 M CA 1.776 57.094 55.300 0.030 0.000 1.105 201 M CB -0.977 31.669 32.600 0.076 0.000 1.385 201 M HN 0.648 nan 8.290 nan 0.000 0.417 202 E N 1.163 121.396 120.200 0.055 0.000 2.107 202 E HA -0.067 4.283 4.350 -0.000 0.000 0.191 202 E C 2.029 178.680 176.600 0.084 0.000 0.982 202 E CA 1.963 58.404 56.400 0.069 0.000 0.809 202 E CB -0.496 29.246 29.700 0.069 0.000 0.756 202 E HN 0.519 nan 8.360 nan 0.000 0.459 203 T N 0.311 114.911 114.554 0.077 0.000 2.812 203 T HA -0.062 4.288 4.350 -0.000 0.000 0.264 203 T C 1.928 176.703 174.700 0.126 0.000 1.042 203 T CA 1.145 63.307 62.100 0.104 0.000 1.140 203 T CB -0.304 68.619 68.868 0.093 0.000 0.870 203 T HN 0.267 nan 8.240 nan 0.000 0.445 204 A N 1.883 124.712 122.820 0.016 0.000 1.877 204 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 204 A C 2.243 179.867 177.584 0.067 0.000 1.186 204 A CA 1.708 53.659 52.037 -0.142 0.000 0.620 204 A CB -0.461 18.252 19.000 -0.479 0.000 0.822 204 A HN 0.445 nan 8.150 nan 0.000 0.443 205 K N -0.953 119.491 120.400 0.073 0.000 2.057 205 K HA -0.119 4.201 4.320 -0.000 0.000 0.207 205 K C 1.944 178.698 176.600 0.256 0.000 1.049 205 K CA 1.387 57.770 56.287 0.160 0.000 0.931 205 K CB -0.394 32.166 32.500 0.101 0.000 0.714 205 K HN 0.384 nan 8.250 nan 0.000 0.440 206 L N 1.492 122.852 121.223 0.228 0.000 2.012 206 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 206 L C 1.909 179.007 176.870 0.380 0.000 1.073 206 L CA 1.590 56.598 54.840 0.279 0.000 0.748 206 L CB -0.327 41.866 42.059 0.224 0.000 0.891 206 L HN 0.135 nan 8.230 nan 0.000 0.431 207 L N -2.020 119.425 121.223 0.370 0.000 2.046 207 L HA -0.254 4.086 4.340 -0.000 0.000 0.208 207 L C 2.496 179.623 176.870 0.429 0.000 1.077 207 L CA 1.531 56.611 54.840 0.399 0.000 0.747 207 L CB -0.839 41.512 42.059 0.487 0.000 0.896 207 L HN 0.338 nan 8.230 nan 0.000 0.432 208 Y N 1.036 121.558 120.300 0.370 0.000 2.181 208 Y HA -0.320 4.230 4.550 0.000 0.000 0.288 208 Y C 2.962 178.959 175.900 0.162 0.000 1.146 208 Y CA 1.574 59.849 58.100 0.291 0.000 1.164 208 Y CB -0.350 38.275 38.460 0.275 0.000 0.982 208 Y HN 0.275 nan 8.280 nan 0.000 0.515 209 S N -1.332 114.460 115.700 0.152 0.000 2.465 209 S HA -0.240 4.230 4.470 -0.000 0.000 0.241 209 S C 1.235 175.691 174.600 -0.240 0.000 1.000 209 S CA 1.245 59.406 58.200 -0.066 0.000 0.964 209 S CB -1.018 62.170 63.200 -0.020 0.000 0.763 209 S HN 0.549 nan 8.310 nan 0.000 0.512 210 Y N 1.421 121.703 120.300 -0.030 0.000 2.524 210 Y HA 0.455 5.005 4.550 -0.000 0.000 0.266 210 Y C 1.786 177.629 175.900 -0.094 0.000 1.180 210 Y CA -0.155 57.913 58.100 -0.053 0.000 1.244 210 Y CB 0.339 38.786 38.460 -0.022 0.000 1.125 210 Y HN 0.421 nan 8.280 nan 0.000 0.524 211 G N -0.063 108.695 108.800 -0.071 0.000 2.176 211 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.232 211 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.232 211 G C -0.114 174.741 174.900 -0.074 0.000 0.986 211 G CA -0.353 44.675 45.100 -0.121 0.000 0.643 211 G HN 0.078 nan 8.290 nan 0.000 0.522 212 I N 0.604 121.172 120.570 -0.003 0.000 2.416 212 I HA 0.364 4.534 4.170 -0.000 0.000 0.288 212 I C 1.067 177.186 176.117 0.003 0.000 1.051 212 I CA 0.246 61.511 61.300 -0.059 0.000 1.375 212 I CB 1.250 39.175 38.000 -0.125 0.000 1.407 212 I HN 0.132 nan 8.210 nan 0.000 0.516 213 K N 3.705 124.061 120.400 -0.073 0.000 2.440 213 K HA 0.225 4.545 4.320 -0.000 0.000 0.207 213 K C -0.307 176.324 176.600 0.052 0.000 1.112 213 K CA -0.019 56.361 56.287 0.156 0.000 1.036 213 K CB 0.661 33.291 32.500 0.215 0.000 0.935 213 K HN 0.515 nan 8.250 nan 0.000 0.564 214 N N 0.706 119.252 118.700 -0.256 0.000 2.354 214 N HA 0.358 5.098 4.740 -0.000 0.000 0.287 214 N C -1.247 174.044 175.510 -0.365 0.000 1.016 214 N CA -0.228 52.808 53.050 -0.024 0.000 0.871 214 N CB 1.330 39.993 38.487 0.293 0.000 1.299 214 N HN -0.138 nan 8.380 nan 0.000 0.482 215 F N -0.075 119.940 119.950 0.108 0.000 2.588 215 F HA 0.297 4.824 4.527 -0.000 0.000 0.310 215 F C -0.094 175.715 175.800 0.015 0.000 1.082 215 F CA -0.924 57.118 58.000 0.069 0.000 0.929 215 F CB 2.172 41.205 39.000 0.055 0.000 1.254 215 F HN 0.205 nan 8.300 nan 0.000 0.455 216 D N 0.509 121.046 120.400 0.229 0.000 2.505 216 D HA 0.195 4.835 4.640 -0.000 0.000 0.250 216 D C 0.785 177.160 176.300 0.125 0.000 1.164 216 D CA -0.340 53.740 54.000 0.133 0.000 0.870 216 D CB 1.692 42.568 40.800 0.126 0.000 1.160 216 D HN 0.608 nan 8.370 nan 0.000 0.549 217 T N 0.722 115.323 114.554 0.078 0.000 2.746 217 T HA -0.136 4.214 4.350 -0.000 0.000 0.267 217 T C 1.184 175.909 174.700 0.042 0.000 1.039 217 T CA 1.075 63.203 62.100 0.047 0.000 1.142 217 T CB -0.516 68.350 68.868 -0.003 0.000 0.866 217 T HN 0.487 nan 8.240 nan 0.000 0.444 218 S N 1.398 117.124 115.700 0.044 0.000 3.336 218 S HA -0.063 4.407 4.470 -0.000 0.000 0.362 218 S C 0.594 175.210 174.600 0.028 0.000 0.941 218 S CA 0.221 58.449 58.200 0.046 0.000 1.297 218 S CB -1.689 61.547 63.200 0.060 0.000 0.915 218 S HN 1.143 nan 8.310 nan 0.000 0.527 219 G N 1.319 110.112 108.800 -0.012 0.000 2.580 219 G HA2 0.498 4.458 3.960 -0.000 0.000 0.278 219 G HA3 0.498 4.458 3.960 -0.000 0.000 0.278 219 G C -0.039 174.835 174.900 -0.043 0.000 1.212 219 G CA -0.297 44.767 45.100 -0.059 0.000 0.939 219 G HN 0.904 nan 8.290 nan 0.000 0.513 220 Q N -1.541 118.207 119.800 -0.086 0.000 2.417 220 Q HA 0.495 4.835 4.340 -0.000 0.000 0.241 220 Q C 0.846 176.797 176.000 -0.081 0.000 1.008 220 Q CA 0.151 55.918 55.803 -0.060 0.000 0.901 220 Q CB 1.030 29.722 28.738 -0.077 0.000 1.259 220 Q HN 1.483 nan 8.270 nan 0.000 0.489 221 G N 0.094 108.869 108.800 -0.041 0.000 2.253 221 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.209 221 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.209 221 G C 0.279 175.171 174.900 -0.015 0.000 0.997 221 G CA -0.229 44.853 45.100 -0.030 0.000 0.640 221 G HN 1.045 nan 8.290 nan 0.000 0.496 222 G N -0.272 108.524 108.800 -0.007 0.000 3.075 222 G HA2 0.507 4.467 3.960 -0.000 0.000 0.156 222 G HA3 0.507 4.467 3.960 -0.000 0.000 0.156 222 G C 0.275 175.161 174.900 -0.022 0.000 1.403 222 G CA 0.582 45.680 45.100 -0.003 0.000 1.033 222 G HN 0.702 nan 8.290 nan 0.000 0.589 223 T N 1.729 116.267 114.554 -0.028 0.000 2.800 223 T HA 0.039 4.389 4.350 -0.000 0.000 0.283 223 T C 0.252 174.884 174.700 -0.113 0.000 0.999 223 T CA 0.317 62.344 62.100 -0.121 0.000 1.176 223 T CB -0.013 68.785 68.868 -0.116 0.000 0.973 223 T HN 0.402 nan 8.240 nan 0.000 0.519 224 N N 2.350 120.932 118.700 -0.196 0.000 2.500 224 N HA 0.121 4.861 4.740 -0.000 0.000 0.236 224 N C 0.243 175.631 175.510 -0.204 0.000 1.022 224 N CA -0.641 52.345 53.050 -0.107 0.000 0.935 224 N CB 0.351 38.794 38.487 -0.073 0.000 1.147 224 N HN 0.673 nan 8.380 nan 0.000 0.512 225 W N 3.268 124.553 121.300 -0.025 0.000 2.402 225 W HA 0.086 4.746 4.660 0.000 0.000 0.286 225 W C 1.877 178.387 176.519 -0.015 0.000 1.221 225 W CA 0.224 57.546 57.345 -0.039 0.000 1.257 225 W CB -0.039 29.390 29.460 -0.052 0.000 1.120 225 W HN 0.545 nan 8.180 nan 0.000 0.551 226 I N 0.065 120.741 120.570 0.177 0.000 2.208 226 I HA -0.339 3.831 4.170 -0.000 0.000 0.245 226 I C 2.556 178.643 176.117 -0.051 0.000 1.097 226 I CA 1.463 62.788 61.300 0.042 0.000 1.363 226 I CB -0.946 37.026 38.000 -0.047 0.000 1.051 226 I HN -0.042 nan 8.210 nan 0.000 0.413 227 A N 0.980 123.760 122.820 -0.066 0.000 1.898 227 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 227 A C 2.301 179.825 177.584 -0.100 0.000 1.181 227 A CA 1.378 53.359 52.037 -0.094 0.000 0.620 227 A CB -0.763 18.175 19.000 -0.103 0.000 0.819 227 A HN 0.365 nan 8.150 nan 0.000 0.442 228 I N -0.242 120.237 120.570 -0.152 0.000 2.163 228 I HA -0.242 3.928 4.170 -0.000 0.000 0.243 228 I C 2.445 178.570 176.117 0.014 0.000 1.085 228 I CA 1.400 62.608 61.300 -0.153 0.000 1.347 228 I CB -0.336 37.408 38.000 -0.427 0.000 1.044 228 I HN 0.266 nan 8.210 nan 0.000 0.408 229 E N 0.280 120.535 120.200 0.092 0.000 2.110 229 E HA -0.254 4.096 4.350 -0.000 0.000 0.193 229 E C 2.056 178.685 176.600 0.048 0.000 0.988 229 E CA 1.171 57.648 56.400 0.130 0.000 0.804 229 E CB -0.484 29.330 29.700 0.190 0.000 0.745 229 E HN 0.504 nan 8.360 nan 0.000 0.458 230 M N 0.282 119.875 119.600 -0.010 0.000 2.082 230 M HA -0.219 4.261 4.480 -0.000 0.000 0.258 230 M C 2.138 178.424 176.300 -0.023 0.000 1.069 230 M CA 1.592 56.865 55.300 -0.045 0.000 1.102 230 M CB -0.129 32.421 32.600 -0.083 0.000 1.336 230 M HN 0.044 nan 8.290 nan 0.000 0.404 231 I N -0.409 120.149 120.570 -0.019 0.000 2.252 231 I HA -0.298 3.872 4.170 -0.000 0.000 0.245 231 I C 2.487 178.607 176.117 0.005 0.000 1.102 231 I CA 1.219 62.511 61.300 -0.012 0.000 1.385 231 I CB -0.360 37.626 38.000 -0.023 0.000 1.064 231 I HN 0.315 nan 8.210 nan 0.000 0.414 232 R N 0.560 121.073 120.500 0.022 0.000 2.081 232 R HA -0.176 4.164 4.340 -0.000 0.000 0.235 232 R C 1.898 178.209 176.300 0.019 0.000 1.131 232 R CA 1.653 57.770 56.100 0.028 0.000 0.960 232 R CB -0.412 29.923 30.300 0.058 0.000 0.856 232 R HN 0.360 nan 8.270 nan 0.000 0.436 233 D N 0.688 121.095 120.400 0.013 0.000 2.123 233 D HA -0.147 4.493 4.640 -0.000 0.000 0.196 233 D C 1.924 178.228 176.300 0.006 0.000 0.992 233 D CA 1.135 55.133 54.000 -0.002 0.000 0.833 233 D CB -0.188 40.592 40.800 -0.034 0.000 0.954 233 D HN 0.217 nan 8.370 nan 0.000 0.455 234 I N 0.469 121.041 120.570 0.004 0.000 2.179 234 I HA -0.253 3.917 4.170 -0.000 0.000 0.242 234 I C 2.495 178.621 176.117 0.016 0.000 1.088 234 I CA 0.958 62.263 61.300 0.010 0.000 1.357 234 I CB -0.087 37.914 38.000 0.002 0.000 1.051 234 I HN -0.124 nan 8.210 nan 0.000 0.409 235 R N 0.793 121.301 120.500 0.013 0.000 2.117 235 R HA -0.175 4.165 4.340 -0.000 0.000 0.243 235 R C 1.834 178.146 176.300 0.019 0.000 1.143 235 R CA 1.415 57.523 56.100 0.014 0.000 0.968 235 R CB -0.230 30.076 30.300 0.011 0.000 0.863 235 R HN 0.459 nan 8.270 nan 0.000 0.444 236 R N -0.840 119.674 120.500 0.024 0.000 2.466 236 R HA 0.218 4.558 4.340 -0.000 0.000 0.279 236 R C 0.530 176.858 176.300 0.047 0.000 0.976 236 R CA 0.562 56.682 56.100 0.032 0.000 1.081 236 R CB 0.354 30.673 30.300 0.032 0.000 1.215 236 R HN 0.168 nan 8.270 nan 0.000 0.546 237 G N 1.843 110.671 108.800 0.046 0.000 2.233 237 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.270 237 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.270 237 G C -0.243 174.716 174.900 0.098 0.000 1.011 237 G CA 0.500 45.638 45.100 0.063 0.000 0.762 237 G HN 0.597 nan 8.290 nan 0.000 0.511 238 N N 0.597 119.349 118.700 0.087 0.000 2.513 238 N HA 0.095 4.835 4.740 -0.000 0.000 0.268 238 N C 1.868 177.435 175.510 0.094 0.000 1.180 238 N CA 0.091 53.211 53.050 0.118 0.000 0.948 238 N CB 0.210 38.719 38.487 0.036 0.000 1.083 238 N HN 0.419 nan 8.380 nan 0.000 0.455 239 W N 5.110 126.429 121.300 0.033 0.000 2.342 239 W HA -0.096 4.564 4.660 0.000 0.000 0.297 239 W C 0.864 177.415 176.519 0.053 0.000 1.213 239 W CA 0.437 57.804 57.345 0.037 0.000 1.251 239 W CB -0.793 28.685 29.460 0.030 0.000 1.136 239 W HN 0.512 nan 8.180 nan 0.000 0.526 240 K N 1.139 121.049 120.400 -0.817 0.000 2.362 240 K HA -0.093 4.227 4.320 -0.000 0.000 0.202 240 K C 2.456 178.928 176.600 -0.213 0.000 1.045 240 K CA 1.486 57.386 56.287 -0.645 0.000 0.936 240 K CB -0.418 31.687 32.500 -0.658 0.000 0.747 240 K HN 0.185 nan 8.250 nan 0.000 0.467 241 A N 2.553 125.295 122.820 -0.130 0.000 1.892 241 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 241 A C 2.066 179.620 177.584 -0.050 0.000 1.188 241 A CA 2.001 53.999 52.037 -0.065 0.000 0.631 241 A CB -0.442 18.543 19.000 -0.026 0.000 0.822 241 A HN 0.543 nan 8.150 nan 0.000 0.447 242 E N -0.581 119.612 120.200 -0.011 0.000 2.285 242 E HA -0.061 4.289 4.350 -0.000 0.000 0.194 242 E C 1.878 178.496 176.600 0.031 0.000 0.997 242 E CA 1.208 57.618 56.400 0.016 0.000 0.845 242 E CB -0.354 29.376 29.700 0.050 0.000 0.782 242 E HN 0.462 nan 8.360 nan 0.000 0.491 243 S N 1.470 117.190 115.700 0.033 0.000 2.368 243 S HA -0.039 4.431 4.470 -0.000 0.000 0.224 243 S C 2.204 176.807 174.600 0.006 0.000 1.029 243 S CA 0.997 59.262 58.200 0.109 0.000 0.988 243 S CB -0.196 63.076 63.200 0.120 0.000 0.838 243 S HN 0.508 nan 8.310 nan 0.000 0.462 244 A N 1.854 124.522 122.820 -0.254 0.000 1.908 244 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 244 A C 2.006 179.391 177.584 -0.331 0.000 1.181 244 A CA 1.880 53.491 52.037 -0.710 0.000 0.627 244 A CB -0.583 18.126 19.000 -0.486 0.000 0.818 244 A HN 0.467 nan 8.150 nan 0.000 0.445 245 K N -0.174 120.140 120.400 -0.143 0.000 2.113 245 K HA -0.222 4.098 4.320 -0.000 0.000 0.208 245 K C 1.621 178.201 176.600 -0.033 0.000 1.047 245 K CA 1.942 58.188 56.287 -0.070 0.000 0.928 245 K CB -0.304 32.175 32.500 -0.035 0.000 0.716 245 K HN 0.659 nan 8.250 nan 0.000 0.446 246 N N -0.973 117.735 118.700 0.015 0.000 2.396 246 N HA -0.079 4.661 4.740 -0.000 0.000 0.180 246 N C 0.594 176.047 175.510 -0.095 0.000 1.028 246 N CA 0.664 53.710 53.050 -0.007 0.000 0.893 246 N CB 0.091 38.601 38.487 0.038 0.000 0.967 246 N HN 0.086 nan 8.380 nan 0.000 0.440 247 F N 0.299 120.156 119.950 -0.156 0.000 2.664 247 F HA 0.296 4.823 4.527 0.000 0.000 0.303 247 F C 1.313 177.088 175.800 -0.042 0.000 1.092 247 F CA -0.194 57.751 58.000 -0.091 0.000 1.305 247 F CB -0.018 38.795 39.000 -0.312 0.000 1.054 247 F HN -0.021 nan 8.300 nan 0.000 0.565 248 L N 0.497 121.745 121.223 0.042 0.000 2.137 248 L HA -0.244 4.096 4.340 -0.000 0.000 0.213 248 L C 1.639 178.554 176.870 0.075 0.000 1.085 248 L CA 1.663 56.520 54.840 0.027 0.000 0.760 248 L CB -0.419 41.633 42.059 -0.011 0.000 0.893 248 L HN 0.239 nan 8.230 nan 0.000 0.434 249 D N -2.224 118.230 120.400 0.088 0.000 2.427 249 D HA -0.099 4.541 4.640 -0.000 0.000 0.224 249 D C 0.358 176.729 176.300 0.119 0.000 1.157 249 D CA -0.433 53.611 54.000 0.074 0.000 0.828 249 D CB -0.312 40.509 40.800 0.036 0.000 0.974 249 D HN 0.184 nan 8.370 nan 0.000 0.498 250 W N 1.755 123.079 121.300 0.039 0.000 2.238 250 W HA 0.407 5.067 4.660 0.000 0.000 0.321 250 W C 0.289 176.854 176.519 0.076 0.000 1.293 250 W CA 1.629 59.032 57.345 0.096 0.000 1.204 250 W CB 0.968 30.591 29.460 0.271 0.000 1.167 250 W HN 0.249 nan 8.180 nan 0.000 0.553 251 G N 2.422 110.955 108.800 -0.446 0.000 2.355 251 G HA2 0.016 3.976 3.960 -0.000 0.000 0.619 251 G HA3 0.016 3.976 3.960 -0.000 0.000 0.619 251 G C -2.125 172.624 174.900 -0.253 0.000 1.337 251 G CA -1.037 43.927 45.100 -0.228 0.000 0.993 251 G HN 0.543 nan 8.290 nan 0.000 0.599 252 V N 2.027 121.819 119.914 -0.204 0.000 2.406 252 V HA 0.444 4.564 4.120 -0.000 0.000 0.272 252 V C -1.711 174.088 176.094 -0.492 0.000 1.043 252 V CA -1.181 60.909 62.300 -0.350 0.000 0.915 252 V CB 1.417 33.126 31.823 -0.189 0.000 0.988 252 V HN 0.594 nan 8.190 nan 0.000 0.466 253 P HA 0.077 nan 4.420 nan 0.000 0.266 253 P C 1.179 178.178 177.300 -0.502 0.000 1.195 253 P CA 0.282 62.934 63.100 -0.747 0.000 0.768 253 P CB 0.468 31.315 31.700 -1.421 0.000 0.838 254 T N 2.269 116.650 114.554 -0.287 0.000 2.624 254 T HA -0.294 4.056 4.350 -0.000 0.000 0.268 254 T C 1.760 176.349 174.700 -0.184 0.000 1.041 254 T CA 2.326 64.320 62.100 -0.178 0.000 1.159 254 T CB -0.773 68.039 68.868 -0.094 0.000 0.863 254 T HN 0.492 nan 8.240 nan 0.000 0.434 255 A N 1.416 124.132 122.820 -0.174 0.000 1.883 255 A HA 0.097 4.417 4.320 -0.000 0.000 0.217 255 A C 2.680 180.139 177.584 -0.210 0.000 1.186 255 A CA 2.053 54.015 52.037 -0.125 0.000 0.624 255 A CB -1.188 17.791 19.000 -0.036 0.000 0.822 255 A HN 0.551 nan 8.150 nan 0.000 0.444 256 A N -1.063 121.517 122.820 -0.400 0.000 1.933 256 A HA -0.091 4.229 4.320 -0.000 0.000 0.218 256 A C 2.469 179.841 177.584 -0.354 0.000 1.175 256 A CA 2.144 53.837 52.037 -0.574 0.000 0.628 256 A CB -0.864 17.287 19.000 -1.415 0.000 0.814 256 A HN 0.541 nan 8.150 nan 0.000 0.444 257 S N -0.551 114.966 115.700 -0.305 0.000 2.368 257 S HA -0.082 4.388 4.470 -0.000 0.000 0.224 257 S C 1.889 176.435 174.600 -0.090 0.000 1.029 257 S CA 1.206 59.309 58.200 -0.160 0.000 0.988 257 S CB -0.505 62.609 63.200 -0.143 0.000 0.838 257 S HN 0.495 nan 8.310 nan 0.000 0.462 258 I N 1.201 121.722 120.570 -0.082 0.000 2.163 258 I HA -0.257 3.913 4.170 -0.000 0.000 0.243 258 I C 2.540 178.678 176.117 0.035 0.000 1.085 258 I CA 1.544 62.832 61.300 -0.020 0.000 1.347 258 I CB -0.335 37.660 38.000 -0.009 0.000 1.044 258 I HN 0.378 nan 8.210 nan 0.000 0.408 259 M N -0.164 119.422 119.600 -0.023 0.000 2.086 259 M HA -0.206 4.274 4.480 -0.000 0.000 0.261 259 M C 2.228 178.567 176.300 0.064 0.000 1.067 259 M CA 1.759 57.026 55.300 -0.055 0.000 1.116 259 M CB -0.536 31.824 32.600 -0.400 0.000 1.348 259 M HN 0.178 nan 8.290 nan 0.000 0.407 260 E N -0.042 120.167 120.200 0.016 0.000 2.085 260 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 260 E C 2.088 178.724 176.600 0.059 0.000 0.994 260 E CA 1.563 58.006 56.400 0.073 0.000 0.801 260 E CB -0.248 29.496 29.700 0.073 0.000 0.743 260 E HN 0.358 nan 8.360 nan 0.000 0.453 261 V N 1.040 120.942 119.914 -0.020 0.000 2.323 261 V HA -0.206 3.914 4.120 -0.000 0.000 0.244 261 V C 2.413 178.470 176.094 -0.061 0.000 1.041 261 V CA 1.815 64.031 62.300 -0.140 0.000 1.025 261 V CB -0.491 31.188 31.823 -0.241 0.000 0.656 261 V HN 0.109 nan 8.190 nan 0.000 0.451 262 R N -0.510 120.025 120.500 0.058 0.000 2.105 262 R HA -0.220 4.120 4.340 -0.000 0.000 0.239 262 R C 2.246 178.626 176.300 0.134 0.000 1.135 262 R CA 1.942 58.097 56.100 0.092 0.000 0.967 262 R CB -0.693 29.701 30.300 0.158 0.000 0.861 262 R HN 0.586 nan 8.270 nan 0.000 0.442 263 Y N 0.321 120.700 120.300 0.133 0.000 2.220 263 Y HA -0.100 4.450 4.550 0.000 0.000 0.291 263 Y C 2.353 178.257 175.900 0.007 0.000 1.129 263 Y CA 1.865 60.040 58.100 0.125 0.000 1.161 263 Y CB -0.187 38.397 38.460 0.206 0.000 0.997 263 Y HN 0.277 nan 8.280 nan 0.000 0.522 264 S N -1.466 114.266 115.700 0.053 0.000 2.470 264 S HA 0.060 4.530 4.470 -0.000 0.000 0.225 264 S C 0.371 174.843 174.600 -0.214 0.000 1.006 264 S CA 0.593 58.742 58.200 -0.085 0.000 0.934 264 S CB -0.258 62.934 63.200 -0.012 0.000 0.778 264 S HN 0.003 nan 8.310 nan 0.000 0.517 265 V N 2.497 122.271 119.914 -0.233 0.000 2.384 265 V HA 0.359 4.479 4.120 -0.000 0.000 0.257 265 V C -2.296 173.685 176.094 -0.187 0.000 0.969 265 V CA -1.462 60.640 62.300 -0.330 0.000 0.910 265 V CB 0.928 32.527 31.823 -0.373 0.000 1.150 265 V HN 0.102 nan 8.190 nan 0.000 0.481 266 P HA -0.120 nan 4.420 nan 0.000 0.221 266 P C 0.880 178.150 177.300 -0.050 0.000 1.145 266 P CA 1.321 64.357 63.100 -0.106 0.000 0.795 266 P CB 0.166 31.790 31.700 -0.127 0.000 0.775 267 D N -1.686 118.694 120.400 -0.034 0.000 2.368 267 D HA 0.001 4.641 4.640 -0.000 0.000 0.218 267 D C 0.067 176.439 176.300 0.119 0.000 1.112 267 D CA -0.104 53.920 54.000 0.042 0.000 0.834 267 D CB -0.766 40.069 40.800 0.057 0.000 0.953 267 D HN 0.076 nan 8.370 nan 0.000 0.505 268 S N 0.038 115.814 115.700 0.128 0.000 2.568 268 S HA 0.175 4.645 4.470 -0.000 0.000 0.282 268 S C -0.086 174.672 174.600 0.264 0.000 1.338 268 S CA -0.876 57.485 58.200 0.268 0.000 1.045 268 S CB 0.384 63.782 63.200 0.330 0.000 0.873 268 S HN 0.208 nan 8.310 nan 0.000 0.516 269 F N 2.717 122.749 119.950 0.136 0.000 2.411 269 F HA 0.610 5.137 4.527 -0.000 0.000 0.350 269 F C -0.545 175.317 175.800 0.103 0.000 1.114 269 F CA -1.259 56.767 58.000 0.043 0.000 1.135 269 F CB 0.496 39.456 39.000 -0.067 0.000 1.120 269 F HN 0.603 nan 8.300 nan 0.000 0.495 270 L N 7.664 128.518 121.223 -0.614 0.000 2.372 270 L HA 0.499 4.839 4.340 -0.000 0.000 0.274 270 L C -1.415 175.186 176.870 -0.448 0.000 0.988 270 L CA -0.889 53.753 54.840 -0.331 0.000 0.833 270 L CB 1.764 43.758 42.059 -0.108 0.000 1.236 270 L HN 0.377 nan 8.230 nan 0.000 0.410 271 V N 3.366 123.107 119.914 -0.288 0.000 2.432 271 V HA 0.432 4.552 4.120 -0.000 0.000 0.275 271 V C 0.791 176.857 176.094 -0.047 0.000 1.043 271 V CA -0.459 61.754 62.300 -0.145 0.000 0.925 271 V CB 1.289 33.092 31.823 -0.033 0.000 0.985 271 V HN 0.869 nan 8.190 nan 0.000 0.466 272 G N 3.496 112.277 108.800 -0.033 0.000 2.404 272 G HA2 0.574 4.534 3.960 -0.000 0.000 0.316 272 G HA3 0.574 4.534 3.960 -0.000 0.000 0.316 272 G C -0.038 174.868 174.900 0.011 0.000 1.074 272 G CA 0.062 45.155 45.100 -0.010 0.000 0.989 272 G HN 0.922 nan 8.290 nan 0.000 0.430 273 S N 0.878 116.590 115.700 0.019 0.000 2.685 273 S HA 0.888 5.358 4.470 -0.000 0.000 0.282 273 S C -0.090 174.526 174.600 0.027 0.000 1.159 273 S CA -0.354 57.867 58.200 0.036 0.000 0.833 273 S CB 1.934 65.169 63.200 0.057 0.000 1.151 273 S HN 2.239 nan 8.310 nan 0.000 0.485 274 G N -0.651 108.172 108.800 0.038 0.000 2.826 274 G HA2 0.457 4.417 3.960 -0.000 0.000 0.623 274 G HA3 0.457 4.417 3.960 -0.000 0.000 0.623 274 G C 0.879 175.789 174.900 0.016 0.000 1.127 274 G CA 0.183 45.301 45.100 0.031 0.000 1.165 274 G HN 2.510 nan 8.290 nan 0.000 0.504 275 G N 0.147 108.962 108.800 0.025 0.000 2.137 275 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.237 275 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.237 275 G C 0.391 175.307 174.900 0.027 0.000 1.002 275 G CA 0.216 45.327 45.100 0.017 0.000 0.702 275 G HN 1.536 nan 8.290 nan 0.000 0.515 276 I N 0.700 121.295 120.570 0.042 0.000 2.421 276 I HA 0.311 4.481 4.170 -0.000 0.000 0.291 276 I C 1.157 177.324 176.117 0.083 0.000 1.089 276 I CA 0.060 61.392 61.300 0.054 0.000 1.354 276 I CB 0.914 38.951 38.000 0.061 0.000 1.413 276 I HN 0.074 nan 8.210 nan 0.000 0.513 277 R N 3.257 123.802 120.500 0.075 0.000 2.487 277 R HA 0.187 4.527 4.340 -0.000 0.000 0.272 277 R C 0.274 176.630 176.300 0.093 0.000 0.928 277 R CA 0.061 56.224 56.100 0.105 0.000 1.077 277 R CB 0.502 30.843 30.300 0.069 0.000 1.265 277 R HN 0.714 nan 8.270 nan 0.000 0.537 278 S N -2.664 113.061 115.700 0.042 0.000 2.607 278 S HA 0.480 4.950 4.470 -0.000 0.000 0.273 278 S C 0.960 175.545 174.600 -0.025 0.000 1.148 278 S CA -0.245 57.952 58.200 -0.005 0.000 0.833 278 S CB 1.643 64.844 63.200 0.003 0.000 1.130 278 S HN 0.012 nan 8.310 nan 0.000 0.470 279 G N 0.296 109.063 108.800 -0.055 0.000 2.470 279 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.220 279 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.220 279 G C 1.101 175.976 174.900 -0.041 0.000 1.121 279 G CA 0.952 46.021 45.100 -0.051 0.000 0.766 279 G HN 0.671 nan 8.290 nan 0.000 0.553 280 L N 1.084 122.286 121.223 -0.036 0.000 2.027 280 L HA -0.003 4.337 4.340 -0.000 0.000 0.206 280 L C 2.136 178.999 176.870 -0.011 0.000 1.074 280 L CA 2.051 56.876 54.840 -0.026 0.000 0.745 280 L CB -0.635 41.411 42.059 -0.021 0.000 0.898 280 L HN 0.078 nan 8.230 nan 0.000 0.433 281 D N 0.082 120.480 120.400 -0.002 0.000 2.116 281 D HA -0.227 4.413 4.640 -0.000 0.000 0.193 281 D C 2.170 178.474 176.300 0.006 0.000 0.998 281 D CA 1.729 55.733 54.000 0.006 0.000 0.836 281 D CB -0.306 40.504 40.800 0.017 0.000 0.951 281 D HN 0.509 nan 8.370 nan 0.000 0.449 282 A N 1.099 123.922 122.820 0.005 0.000 1.877 282 A HA -0.060 4.260 4.320 -0.000 0.000 0.216 282 A C 2.361 179.944 177.584 -0.001 0.000 1.186 282 A CA 2.444 54.485 52.037 0.007 0.000 0.620 282 A CB -0.813 18.191 19.000 0.006 0.000 0.822 282 A HN 0.248 nan 8.150 nan 0.000 0.443 283 A N -0.191 122.622 122.820 -0.011 0.000 1.908 283 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 283 A C 2.124 179.706 177.584 -0.003 0.000 1.181 283 A CA 1.941 53.970 52.037 -0.013 0.000 0.627 283 A CB -0.454 18.531 19.000 -0.025 0.000 0.818 283 A HN 0.563 nan 8.150 nan 0.000 0.445 284 K N -0.463 119.938 120.400 0.001 0.000 2.057 284 K HA -0.012 4.308 4.320 -0.000 0.000 0.206 284 K C 2.324 178.932 176.600 0.013 0.000 1.050 284 K CA 1.015 57.307 56.287 0.008 0.000 0.935 284 K CB -0.313 32.191 32.500 0.007 0.000 0.715 284 K HN 0.441 nan 8.250 nan 0.000 0.439 285 A N 1.402 124.228 122.820 0.009 0.000 1.902 285 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 285 A C 2.107 179.699 177.584 0.013 0.000 1.181 285 A CA 1.338 53.380 52.037 0.009 0.000 0.623 285 A CB -0.524 18.479 19.000 0.005 0.000 0.818 285 A HN 0.162 nan 8.150 nan 0.000 0.443 286 I N -0.487 120.088 120.570 0.009 0.000 2.193 286 I HA -0.196 3.974 4.170 -0.000 0.000 0.240 286 I C 2.989 179.114 176.117 0.014 0.000 1.084 286 I CA 0.920 62.224 61.300 0.007 0.000 1.365 286 I CB -0.405 37.597 38.000 0.003 0.000 1.064 286 I HN 0.323 nan 8.210 nan 0.000 0.410 287 A N 0.865 123.694 122.820 0.015 0.000 1.917 287 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 287 A C 2.370 179.983 177.584 0.049 0.000 1.182 287 A CA 1.576 53.627 52.037 0.023 0.000 0.633 287 A CB -0.994 18.018 19.000 0.021 0.000 0.819 287 A HN 0.422 nan 8.150 nan 0.000 0.448 288 L N -2.284 118.979 121.223 0.067 0.000 2.131 288 L HA -0.088 4.252 4.340 -0.000 0.000 0.210 288 L C 1.876 178.852 176.870 0.177 0.000 1.092 288 L CA 1.526 56.444 54.840 0.131 0.000 0.759 288 L CB -0.142 41.971 42.059 0.091 0.000 0.903 288 L HN 0.662 nan 8.230 nan 0.000 0.435 289 G N -2.364 106.488 108.800 0.087 0.000 3.732 289 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.220 289 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.220 289 G C 0.171 175.083 174.900 0.021 0.000 0.903 289 G CA -0.041 45.096 45.100 0.061 0.000 0.896 289 G HN 0.407 nan 8.290 nan 0.000 0.685 290 A N 0.475 123.300 122.820 0.007 0.000 2.351 290 A HA 0.593 4.913 4.320 -0.000 0.000 0.257 290 A C 0.998 178.554 177.584 -0.047 0.000 1.087 290 A CA 0.540 52.554 52.037 -0.037 0.000 0.798 290 A CB 0.474 19.452 19.000 -0.037 0.000 1.033 290 A HN 0.082 nan 8.150 nan 0.000 0.488 291 D N -0.116 120.217 120.400 -0.111 0.000 2.183 291 D HA 0.094 4.734 4.640 -0.000 0.000 0.205 291 D C 0.692 176.984 176.300 -0.014 0.000 0.962 291 D CA 1.645 55.612 54.000 -0.055 0.000 0.849 291 D CB 0.061 40.826 40.800 -0.060 0.000 0.978 291 D HN 0.679 nan 8.370 nan 0.000 0.488 292 I N -3.006 117.520 120.570 -0.073 0.000 2.994 292 I HA 0.648 4.818 4.170 -0.000 0.000 0.306 292 I C -1.486 174.630 176.117 -0.002 0.000 1.195 292 I CA -1.382 59.926 61.300 0.013 0.000 1.001 292 I CB 2.493 40.567 38.000 0.122 0.000 1.244 292 I HN -0.265 nan 8.210 nan 0.000 0.437 293 A N 2.457 125.294 122.820 0.027 0.000 2.305 293 A HA 0.851 5.171 4.320 -0.000 0.000 0.322 293 A C 0.039 177.659 177.584 0.059 0.000 1.187 293 A CA -0.178 51.879 52.037 0.033 0.000 0.825 293 A CB 0.697 19.716 19.000 0.032 0.000 1.164 293 A HN 1.136 nan 8.150 nan 0.000 0.498 294 G N 1.004 109.843 108.800 0.065 0.000 2.420 294 G HA2 0.612 4.572 3.960 -0.000 0.000 0.331 294 G HA3 0.612 4.572 3.960 -0.000 0.000 0.331 294 G C -0.697 174.263 174.900 0.100 0.000 1.168 294 G CA -0.626 44.528 45.100 0.089 0.000 0.936 294 G HN 0.647 nan 8.290 nan 0.000 0.479 295 M N 0.947 120.623 119.600 0.126 0.000 2.446 295 M HA 0.559 5.039 4.480 -0.000 0.000 0.294 295 M C 0.390 176.755 176.300 0.108 0.000 1.158 295 M CA -0.789 54.590 55.300 0.131 0.000 0.899 295 M CB 2.636 35.360 32.600 0.206 0.000 1.687 295 M HN 0.638 nan 8.290 nan 0.000 0.455 296 A N 1.406 124.268 122.820 0.069 0.000 1.878 296 A HA 0.286 4.606 4.320 -0.000 0.000 0.188 296 A C 1.180 178.748 177.584 -0.026 0.000 2.104 296 A CA 0.038 52.102 52.037 0.045 0.000 1.140 296 A CB -0.649 18.398 19.000 0.077 0.000 1.057 296 A HN 0.735 nan 8.150 nan 0.000 0.646 297 L N 1.413 122.616 121.223 -0.034 0.000 2.011 297 L HA -0.142 4.198 4.340 -0.000 0.000 0.225 297 L C -0.660 176.092 176.870 -0.197 0.000 1.084 297 L CA 3.304 58.081 54.840 -0.105 0.000 0.791 297 L CB -1.118 40.883 42.059 -0.097 0.000 0.898 297 L HN 0.322 nan 8.230 nan 0.000 0.440 298 P HA -0.110 nan 4.420 nan 0.000 0.220 298 P C 1.937 178.752 177.300 -0.808 0.000 1.148 298 P CA 1.434 64.271 63.100 -0.439 0.000 0.803 298 P CB -0.008 31.511 31.700 -0.301 0.000 0.782 299 V N 0.887 120.434 119.914 -0.611 0.000 2.307 299 V HA -0.197 3.923 4.120 -0.000 0.000 0.245 299 V C 2.752 178.633 176.094 -0.355 0.000 1.045 299 V CA 1.269 63.236 62.300 -0.554 0.000 1.024 299 V CB -1.242 30.467 31.823 -0.190 0.000 0.651 299 V HN 0.054 nan 8.190 nan 0.000 0.449 300 L N 0.034 121.113 121.223 -0.240 0.000 1.990 300 L HA -0.262 4.078 4.340 -0.000 0.000 0.213 300 L C 2.693 179.430 176.870 -0.223 0.000 1.072 300 L CA 2.203 56.932 54.840 -0.186 0.000 0.755 300 L CB -0.451 41.512 42.059 -0.159 0.000 0.889 300 L HN 0.350 nan 8.230 nan 0.000 0.432 301 K N -0.792 119.446 120.400 -0.269 0.000 2.063 301 K HA -0.158 4.162 4.320 -0.000 0.000 0.208 301 K C 2.138 178.612 176.600 -0.209 0.000 1.048 301 K CA 1.699 57.843 56.287 -0.237 0.000 0.928 301 K CB -0.129 32.234 32.500 -0.229 0.000 0.713 301 K HN 0.263 nan 8.250 nan 0.000 0.442 302 S N 0.703 116.212 115.700 -0.317 0.000 2.356 302 S HA -0.136 4.334 4.470 -0.000 0.000 0.223 302 S C 2.114 176.616 174.600 -0.163 0.000 1.032 302 S CA 1.204 59.243 58.200 -0.269 0.000 1.005 302 S CB -0.222 62.713 63.200 -0.442 0.000 0.867 302 S HN 0.444 nan 8.310 nan 0.000 0.449 303 A N 1.397 124.115 122.820 -0.169 0.000 1.908 303 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 303 A C 2.040 179.594 177.584 -0.049 0.000 1.181 303 A CA 1.354 53.340 52.037 -0.085 0.000 0.627 303 A CB -0.772 18.183 19.000 -0.074 0.000 0.818 303 A HN 0.513 nan 8.150 nan 0.000 0.445 304 I N -0.600 119.935 120.570 -0.058 0.000 2.286 304 I HA -0.267 3.903 4.170 -0.000 0.000 0.248 304 I C 2.449 178.578 176.117 0.019 0.000 1.115 304 I CA 1.643 62.940 61.300 -0.006 0.000 1.392 304 I CB -0.397 37.606 38.000 0.005 0.000 1.065 304 I HN 0.439 nan 8.210 nan 0.000 0.418 305 E N 0.491 120.690 120.200 -0.001 0.000 2.150 305 E HA 0.060 4.410 4.350 -0.000 0.000 0.193 305 E C 0.868 177.472 176.600 0.007 0.000 0.985 305 E CA 0.715 57.119 56.400 0.007 0.000 0.814 305 E CB 0.052 29.749 29.700 -0.006 0.000 0.752 305 E HN 0.580 nan 8.360 nan 0.000 0.466 306 G N -0.141 108.658 108.800 -0.000 0.000 2.339 306 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.381 306 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.381 306 G C -0.191 174.723 174.900 0.022 0.000 1.400 306 G CA -0.215 44.894 45.100 0.013 0.000 1.002 306 G HN -0.028 nan 8.290 nan 0.000 0.633 307 K N 0.018 120.443 120.400 0.040 0.000 2.032 307 K HA -0.160 4.160 4.320 -0.000 0.000 0.209 307 K C 2.400 179.051 176.600 0.086 0.000 1.048 307 K CA 2.314 58.642 56.287 0.068 0.000 0.927 307 K CB -0.127 32.415 32.500 0.070 0.000 0.712 307 K HN 0.576 nan 8.250 nan 0.000 0.441 308 E N 0.402 120.644 120.200 0.071 0.000 2.106 308 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 308 E C 1.977 178.620 176.600 0.073 0.000 0.984 308 E CA 1.285 57.733 56.400 0.080 0.000 0.806 308 E CB -0.670 29.067 29.700 0.061 0.000 0.750 308 E HN 0.245 nan 8.360 nan 0.000 0.458 309 S N 0.717 116.444 115.700 0.045 0.000 2.370 309 S HA -0.140 4.330 4.470 -0.000 0.000 0.226 309 S C 1.948 176.561 174.600 0.022 0.000 1.033 309 S CA 1.026 59.243 58.200 0.028 0.000 1.011 309 S CB -0.233 62.969 63.200 0.003 0.000 0.852 309 S HN 0.242 nan 8.310 nan 0.000 0.457 310 L N 1.694 122.919 121.223 0.003 0.000 2.109 310 L HA 0.101 4.441 4.340 -0.000 0.000 0.207 310 L C 2.221 179.105 176.870 0.023 0.000 1.086 310 L CA 1.909 56.717 54.840 -0.053 0.000 0.760 310 L CB -0.855 41.175 42.059 -0.049 0.000 0.910 310 L HN 0.354 nan 8.230 nan 0.000 0.437 311 E N -0.992 119.307 120.200 0.165 0.000 2.077 311 E HA -0.302 4.048 4.350 -0.000 0.000 0.193 311 E C 2.095 178.810 176.600 0.191 0.000 0.989 311 E CA 1.237 57.818 56.400 0.302 0.000 0.800 311 E CB -0.155 29.774 29.700 0.383 0.000 0.746 311 E HN 0.432 nan 8.360 nan 0.000 0.452 312 Q N 0.604 120.483 119.800 0.131 0.000 2.084 312 Q HA -0.193 4.147 4.340 -0.000 0.000 0.202 312 Q C 1.781 177.802 176.000 0.036 0.000 0.978 312 Q CA 1.464 57.321 55.803 0.089 0.000 0.844 312 Q CB -0.513 28.268 28.738 0.072 0.000 0.898 312 Q HN 0.363 nan 8.270 nan 0.000 0.426 313 F N -0.445 119.417 119.950 -0.146 0.000 2.069 313 F HA -0.222 4.305 4.527 0.000 0.000 0.298 313 F C 1.668 177.318 175.800 -0.250 0.000 1.113 313 F CA 1.782 59.636 58.000 -0.243 0.000 1.214 313 F CB -0.439 38.320 39.000 -0.403 0.000 0.978 313 F HN 0.161 nan 8.300 nan 0.000 0.474 314 F N 0.299 120.047 119.950 -0.337 0.000 2.171 314 F HA -0.170 4.357 4.527 -0.000 0.000 0.300 314 F C 2.603 178.122 175.800 -0.468 0.000 1.090 314 F CA 1.146 58.776 58.000 -0.616 0.000 1.293 314 F CB -0.479 37.879 39.000 -1.071 0.000 1.013 314 F HN -0.171 nan 8.300 nan 0.000 0.486 315 R N 0.474 120.930 120.500 -0.074 0.000 2.091 315 R HA -0.225 4.115 4.340 -0.000 0.000 0.238 315 R C 2.233 178.575 176.300 0.070 0.000 1.136 315 R CA 1.801 57.965 56.100 0.107 0.000 0.959 315 R CB -0.359 30.039 30.300 0.164 0.000 0.856 315 R HN 0.251 nan 8.270 nan 0.000 0.437 316 K N 0.614 120.994 120.400 -0.034 0.000 2.001 316 K HA -0.131 4.189 4.320 -0.000 0.000 0.208 316 K C 2.006 178.581 176.600 -0.042 0.000 1.048 316 K CA 1.168 57.451 56.287 -0.007 0.000 0.932 316 K CB 0.024 32.479 32.500 -0.076 0.000 0.715 316 K HN -0.013 nan 8.250 nan 0.000 0.437 317 I N 1.953 122.369 120.570 -0.256 0.000 2.151 317 I HA -0.301 3.869 4.170 -0.000 0.000 0.243 317 I C 2.378 178.458 176.117 -0.062 0.000 1.080 317 I CA 1.497 62.664 61.300 -0.222 0.000 1.339 317 I CB -0.919 36.872 38.000 -0.348 0.000 1.039 317 I HN 0.286 nan 8.210 nan 0.000 0.409 318 I N -0.284 120.285 120.570 -0.001 0.000 2.252 318 I HA -0.322 3.848 4.170 -0.000 0.000 0.245 318 I C 2.573 178.758 176.117 0.114 0.000 1.102 318 I CA 1.194 62.529 61.300 0.059 0.000 1.385 318 I CB -0.455 37.614 38.000 0.114 0.000 1.064 318 I HN 0.080 nan 8.210 nan 0.000 0.414 319 F N 2.129 122.112 119.950 0.054 0.000 2.134 319 F HA -0.215 4.312 4.527 -0.000 0.000 0.299 319 F C 2.347 178.208 175.800 0.101 0.000 1.097 319 F CA 1.776 59.846 58.000 0.118 0.000 1.264 319 F CB -0.331 38.726 39.000 0.095 0.000 1.001 319 F HN 0.039 nan 8.300 nan 0.000 0.479 320 E N 0.118 120.227 120.200 -0.152 0.000 2.106 320 E HA -0.211 4.139 4.350 -0.000 0.000 0.192 320 E C 2.095 178.583 176.600 -0.187 0.000 0.984 320 E CA 1.297 57.559 56.400 -0.230 0.000 0.806 320 E CB -0.437 29.215 29.700 -0.079 0.000 0.750 320 E HN 0.433 nan 8.360 nan 0.000 0.458 321 L N 1.709 122.863 121.223 -0.115 0.000 2.017 321 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 321 L C 1.823 178.617 176.870 -0.127 0.000 1.073 321 L CA 1.921 56.706 54.840 -0.093 0.000 0.745 321 L CB -0.138 41.886 42.059 -0.057 0.000 0.894 321 L HN -0.123 nan 8.230 nan 0.000 0.432 322 K N -0.457 119.851 120.400 -0.154 0.000 2.148 322 K HA -0.065 4.255 4.320 -0.000 0.000 0.204 322 K C 2.099 178.574 176.600 -0.209 0.000 1.050 322 K CA 1.124 57.267 56.287 -0.240 0.000 0.942 322 K CB -0.376 31.932 32.500 -0.321 0.000 0.724 322 K HN 0.511 nan 8.250 nan 0.000 0.446 323 A N 1.658 124.357 122.820 -0.201 0.000 1.877 323 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 323 A C 2.399 179.937 177.584 -0.076 0.000 1.186 323 A CA 1.940 53.894 52.037 -0.138 0.000 0.620 323 A CB -0.757 17.997 19.000 -0.410 0.000 0.822 323 A HN 0.329 nan 8.150 nan 0.000 0.443 324 A N -0.633 122.129 122.820 -0.098 0.000 1.902 324 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 324 A C 2.266 179.819 177.584 -0.051 0.000 1.181 324 A CA 1.856 53.861 52.037 -0.053 0.000 0.623 324 A CB -0.549 18.420 19.000 -0.052 0.000 0.818 324 A HN 0.548 nan 8.150 nan 0.000 0.443 325 M N -2.019 117.531 119.600 -0.083 0.000 2.086 325 M HA -0.146 4.334 4.480 -0.000 0.000 0.261 325 M C 2.403 178.649 176.300 -0.089 0.000 1.067 325 M CA 2.110 57.355 55.300 -0.092 0.000 1.116 325 M CB -0.396 32.127 32.600 -0.128 0.000 1.348 325 M HN 0.507 nan 8.290 nan 0.000 0.407 326 M N 0.936 120.481 119.600 -0.092 0.000 2.080 326 M HA -0.152 4.328 4.480 -0.000 0.000 0.260 326 M C 1.697 177.986 176.300 -0.019 0.000 1.068 326 M CA 1.913 57.192 55.300 -0.036 0.000 1.109 326 M CB -0.446 32.224 32.600 0.118 0.000 1.342 326 M HN 0.197 nan 8.290 nan 0.000 0.405 327 L N -0.635 120.594 121.223 0.010 0.000 2.552 327 L HA 0.008 4.348 4.340 -0.000 0.000 0.227 327 L C 1.366 178.216 176.870 -0.034 0.000 1.146 327 L CA 1.125 55.985 54.840 0.033 0.000 0.858 327 L CB -0.958 41.190 42.059 0.148 0.000 0.969 327 L HN 0.524 nan 8.230 nan 0.000 0.451 328 T N -4.824 109.706 114.554 -0.040 0.000 3.085 328 T HA 0.258 4.608 4.350 -0.000 0.000 0.264 328 T C 1.330 175.995 174.700 -0.058 0.000 1.019 328 T CA 0.299 62.370 62.100 -0.048 0.000 0.910 328 T CB 0.690 69.544 68.868 -0.023 0.000 1.059 328 T HN 0.317 nan 8.240 nan 0.000 0.542 329 G N 1.394 110.151 108.800 -0.072 0.000 2.225 329 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.267 329 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.267 329 G C 0.023 174.892 174.900 -0.051 0.000 1.024 329 G CA 0.133 45.194 45.100 -0.065 0.000 0.784 329 G HN 0.669 nan 8.290 nan 0.000 0.507 330 S N -0.024 115.642 115.700 -0.057 0.000 2.404 330 S HA 0.382 4.852 4.470 -0.000 0.000 0.309 330 S C 1.478 176.036 174.600 -0.070 0.000 1.076 330 S CA 0.004 58.172 58.200 -0.053 0.000 1.095 330 S CB 1.275 64.445 63.200 -0.049 0.000 0.972 330 S HN 0.722 nan 8.310 nan 0.000 0.484 331 K N 1.630 121.996 120.400 -0.058 0.000 2.228 331 K HA 0.005 4.325 4.320 -0.000 0.000 0.202 331 K C -0.030 176.530 176.600 -0.066 0.000 1.051 331 K CA 0.835 57.083 56.287 -0.066 0.000 0.960 331 K CB -0.106 32.366 32.500 -0.045 0.000 0.743 331 K HN 0.591 nan 8.250 nan 0.000 0.458 332 D N -1.329 119.041 120.400 -0.050 0.000 2.626 332 D HA 0.071 4.711 4.640 -0.000 0.000 0.278 332 D C 0.760 177.041 176.300 -0.033 0.000 1.211 332 D CA -0.871 53.105 54.000 -0.041 0.000 0.903 332 D CB 1.095 41.879 40.800 -0.028 0.000 1.408 332 D HN -0.238 nan 8.370 nan 0.000 0.454 333 V N 0.101 120.002 119.914 -0.022 0.000 2.392 333 V HA -0.221 3.899 4.120 -0.000 0.000 0.249 333 V C 1.755 177.845 176.094 -0.006 0.000 1.059 333 V CA 2.374 64.668 62.300 -0.011 0.000 1.051 333 V CB -0.783 31.043 31.823 0.004 0.000 0.658 333 V HN 0.684 nan 8.190 nan 0.000 0.455 334 D N -0.120 120.277 120.400 -0.004 0.000 2.144 334 D HA -0.132 4.508 4.640 -0.000 0.000 0.199 334 D C 2.147 178.442 176.300 -0.009 0.000 0.984 334 D CA 1.389 55.387 54.000 -0.003 0.000 0.834 334 D CB -0.144 40.655 40.800 -0.002 0.000 0.955 334 D HN 0.410 nan 8.370 nan 0.000 0.465 335 A N -0.002 122.810 122.820 -0.014 0.000 1.898 335 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 335 A C 2.061 179.635 177.584 -0.017 0.000 1.181 335 A CA 1.041 53.069 52.037 -0.016 0.000 0.620 335 A CB -0.835 18.152 19.000 -0.022 0.000 0.819 335 A HN 0.351 nan 8.150 nan 0.000 0.442 336 L N 0.126 121.338 121.223 -0.020 0.000 2.043 336 L HA -0.178 4.162 4.340 -0.000 0.000 0.212 336 L C 2.099 178.963 176.870 -0.009 0.000 1.075 336 L CA 2.251 57.081 54.840 -0.017 0.000 0.752 336 L CB -0.527 41.519 42.059 -0.022 0.000 0.891 336 L HN 0.355 nan 8.230 nan 0.000 0.432 337 K N -0.133 120.263 120.400 -0.007 0.000 2.280 337 K HA -0.138 4.182 4.320 -0.000 0.000 0.202 337 K C 1.129 177.722 176.600 -0.011 0.000 1.047 337 K CA 1.465 57.749 56.287 -0.006 0.000 0.942 337 K CB -0.073 32.424 32.500 -0.005 0.000 0.739 337 K HN 0.527 nan 8.250 nan 0.000 0.457 338 K N -0.242 120.152 120.400 -0.011 0.000 2.478 338 K HA 0.125 4.445 4.320 -0.000 0.000 0.205 338 K C 0.230 176.828 176.600 -0.005 0.000 1.033 338 K CA -0.181 56.099 56.287 -0.011 0.000 1.091 338 K CB 0.734 33.225 32.500 -0.015 0.000 0.844 338 K HN -0.242 nan 8.250 nan 0.000 0.507 339 T N 1.366 115.918 114.554 -0.002 0.000 2.856 339 T HA 0.076 4.426 4.350 -0.000 0.000 0.306 339 T C -0.111 174.594 174.700 0.009 0.000 1.062 339 T CA 0.054 62.154 62.100 -0.000 0.000 1.083 339 T CB 0.714 69.579 68.868 -0.005 0.000 0.984 339 T HN 0.242 nan 8.240 nan 0.000 0.542 340 S N 2.610 118.316 115.700 0.010 0.000 2.549 340 S HA 0.442 4.912 4.470 -0.000 0.000 0.279 340 S C 0.203 174.817 174.600 0.024 0.000 1.321 340 S CA -0.584 57.627 58.200 0.018 0.000 1.054 340 S CB -0.282 62.927 63.200 0.016 0.000 0.899 340 S HN 0.607 nan 8.310 nan 0.000 0.497 341 I N -0.520 120.069 120.570 0.032 0.000 3.145 341 I HA 0.837 5.007 4.170 -0.000 0.000 0.313 341 I C -1.284 174.853 176.117 0.032 0.000 1.122 341 I CA -1.230 60.090 61.300 0.034 0.000 0.987 341 I CB 1.989 40.016 38.000 0.045 0.000 1.236 341 I HN 0.254 nan 8.210 nan 0.000 0.453 342 V N 3.827 123.756 119.914 0.025 0.000 2.604 342 V HA 0.540 4.660 4.120 -0.000 0.000 0.305 342 V C -0.259 175.840 176.094 0.009 0.000 1.043 342 V CA -0.420 61.891 62.300 0.017 0.000 0.888 342 V CB 1.892 33.722 31.823 0.011 0.000 0.995 342 V HN 0.528 nan 8.190 nan 0.000 0.429 343 I N 5.417 125.989 120.570 0.003 0.000 2.436 343 I HA 0.593 4.763 4.170 -0.000 0.000 0.289 343 I C -0.697 175.405 176.117 -0.025 0.000 1.010 343 I CA -0.288 61.003 61.300 -0.014 0.000 1.098 343 I CB 1.728 39.717 38.000 -0.019 0.000 1.266 343 I HN 0.400 nan 8.210 nan 0.000 0.434 344 L N 4.106 125.303 121.223 -0.044 0.000 2.301 344 L HA 0.847 5.187 4.340 -0.000 0.000 0.249 344 L C 0.766 177.584 176.870 -0.086 0.000 1.069 344 L CA -0.652 54.157 54.840 -0.053 0.000 0.865 344 L CB 1.541 43.569 42.059 -0.052 0.000 1.467 344 L HN 0.781 nan 8.230 nan 0.000 0.419 345 G N 0.220 108.967 108.800 -0.089 0.000 2.564 345 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.273 345 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.273 345 G C 0.472 175.271 174.900 -0.167 0.000 1.242 345 G CA 0.611 45.632 45.100 -0.132 0.000 0.951 345 G HN 0.698 nan 8.290 nan 0.000 0.564 346 K N -0.443 119.773 120.400 -0.305 0.000 2.097 346 K HA 0.020 4.340 4.320 -0.000 0.000 0.206 346 K C 2.639 179.108 176.600 -0.218 0.000 1.049 346 K CA 1.431 57.513 56.287 -0.341 0.000 0.933 346 K CB -0.226 31.886 32.500 -0.645 0.000 0.717 346 K HN 0.315 nan 8.250 nan 0.000 0.442 347 L N 2.244 123.272 121.223 -0.325 0.000 2.013 347 L HA -0.235 4.105 4.340 -0.000 0.000 0.212 347 L C 2.249 179.162 176.870 0.071 0.000 1.073 347 L CA 1.874 56.727 54.840 0.021 0.000 0.753 347 L CB -0.437 41.617 42.059 -0.008 0.000 0.890 347 L HN 0.065 nan 8.230 nan 0.000 0.432 348 K N -0.496 119.901 120.400 -0.005 0.000 2.026 348 K HA -0.220 4.100 4.320 -0.000 0.000 0.208 348 K C 1.920 178.550 176.600 0.049 0.000 1.048 348 K CA 1.953 58.243 56.287 0.006 0.000 0.929 348 K CB -0.192 32.296 32.500 -0.021 0.000 0.713 348 K HN 0.530 nan 8.250 nan 0.000 0.439 349 E N -0.211 120.024 120.200 0.058 0.000 2.110 349 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 349 E C 1.772 178.470 176.600 0.162 0.000 0.988 349 E CA 0.995 57.445 56.400 0.084 0.000 0.804 349 E CB -0.251 29.480 29.700 0.050 0.000 0.745 349 E HN 0.511 nan 8.360 nan 0.000 0.458 350 W N 1.759 123.082 121.300 0.040 0.000 2.353 350 W HA -0.190 4.470 4.660 -0.000 0.000 0.319 350 W C 2.347 178.879 176.519 0.022 0.000 1.207 350 W CA 1.983 59.369 57.345 0.068 0.000 1.291 350 W CB -0.580 28.966 29.460 0.142 0.000 1.159 350 W HN 0.049 nan 8.180 nan 0.000 0.478 351 A N 0.790 123.814 122.820 0.340 0.000 1.892 351 A HA -0.295 4.025 4.320 -0.000 0.000 0.218 351 A C 1.882 179.454 177.584 -0.019 0.000 1.188 351 A CA 2.388 54.483 52.037 0.097 0.000 0.631 351 A CB -1.126 17.843 19.000 -0.051 0.000 0.822 351 A HN 0.529 nan 8.150 nan 0.000 0.447 352 E N -1.880 118.323 120.200 0.004 0.000 2.031 352 E HA -0.225 4.125 4.350 -0.000 0.000 0.193 352 E C 1.950 178.519 176.600 -0.053 0.000 0.994 352 E CA 1.552 57.935 56.400 -0.028 0.000 0.800 352 E CB -0.360 29.341 29.700 0.001 0.000 0.752 352 E HN 0.750 nan 8.360 nan 0.000 0.447 353 Y N 1.257 121.490 120.300 -0.111 0.000 2.207 353 Y HA -0.191 4.359 4.550 -0.000 0.000 0.287 353 Y C 1.860 177.652 175.900 -0.180 0.000 1.156 353 Y CA 1.419 59.427 58.100 -0.153 0.000 1.182 353 Y CB 0.286 38.621 38.460 -0.208 0.000 0.979 353 Y HN -0.146 nan 8.280 nan 0.000 0.521 354 R N 0.097 120.542 120.500 -0.091 0.000 2.328 354 R HA 0.106 4.446 4.340 -0.000 0.000 0.200 354 R C 1.363 177.586 176.300 -0.128 0.000 0.983 354 R CA 0.756 56.784 56.100 -0.120 0.000 1.062 354 R CB -0.799 29.433 30.300 -0.113 0.000 0.956 354 R HN 0.562 nan 8.270 nan 0.000 0.479 355 G N 1.532 110.237 108.800 -0.159 0.000 2.143 355 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.248 355 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.248 355 G C 0.212 175.004 174.900 -0.181 0.000 0.991 355 G CA -0.096 44.929 45.100 -0.125 0.000 0.689 355 G HN 0.346 nan 8.290 nan 0.000 0.522 356 I N 1.700 122.079 120.570 -0.319 0.000 2.311 356 I HA 0.080 4.250 4.170 -0.000 0.000 0.297 356 I C 0.938 176.863 176.117 -0.320 0.000 1.131 356 I CA -0.439 60.466 61.300 -0.658 0.000 1.289 356 I CB 0.398 37.980 38.000 -0.697 0.000 1.446 356 I HN 0.239 nan 8.210 nan 0.000 0.524 357 N N 6.844 125.450 118.700 -0.157 0.000 2.438 357 N HA 0.020 4.760 4.740 -0.000 0.000 0.267 357 N C 1.005 176.552 175.510 0.061 0.000 1.222 357 N CA -0.090 52.966 53.050 0.010 0.000 0.930 357 N CB 0.925 39.479 38.487 0.112 0.000 1.083 357 N HN 0.645 nan 8.380 nan 0.000 0.476 358 L N 2.743 123.988 121.223 0.037 0.000 2.131 358 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 358 L C 2.274 179.231 176.870 0.145 0.000 1.092 358 L CA 0.889 55.780 54.840 0.085 0.000 0.759 358 L CB -0.234 41.847 42.059 0.037 0.000 0.903 358 L HN 0.550 nan 8.230 nan 0.000 0.435 359 S N 0.276 116.041 115.700 0.108 0.000 2.357 359 S HA -0.135 4.335 4.470 -0.000 0.000 0.221 359 S C 1.915 176.584 174.600 0.115 0.000 1.031 359 S CA 1.305 59.561 58.200 0.095 0.000 0.982 359 S CB -0.241 62.997 63.200 0.063 0.000 0.853 359 S HN 0.478 nan 8.310 nan 0.000 0.458 360 I N 0.180 120.842 120.570 0.152 0.000 2.454 360 I HA -0.139 4.031 4.170 -0.000 0.000 0.254 360 I C 1.950 178.192 176.117 0.209 0.000 1.156 360 I CA 1.291 62.690 61.300 0.165 0.000 1.433 360 I CB -0.379 37.719 38.000 0.164 0.000 1.082 360 I HN 0.264 nan 8.210 nan 0.000 0.432 361 Y N 1.800 122.215 120.300 0.191 0.000 2.114 361 Y HA -0.250 4.300 4.550 -0.000 0.000 0.284 361 Y C 2.537 178.493 175.900 0.093 0.000 1.143 361 Y CA 2.139 60.342 58.100 0.173 0.000 1.135 361 Y CB -0.129 38.377 38.460 0.077 0.000 0.980 361 Y HN 0.199 nan 8.280 nan 0.000 0.499 362 E N 0.533 120.781 120.200 0.079 0.000 2.065 362 E HA -0.282 4.068 4.350 -0.000 0.000 0.201 362 E C 2.019 178.570 176.600 -0.083 0.000 1.016 362 E CA 1.884 58.282 56.400 -0.003 0.000 0.818 362 E CB -0.291 29.442 29.700 0.055 0.000 0.749 362 E HN 0.397 nan 8.360 nan 0.000 0.453 363 K N 0.229 120.599 120.400 -0.050 0.000 2.002 363 K HA -0.105 4.215 4.320 -0.000 0.000 0.209 363 K C 2.261 178.796 176.600 -0.108 0.000 1.048 363 K CA 0.948 57.201 56.287 -0.057 0.000 0.930 363 K CB -0.597 31.889 32.500 -0.025 0.000 0.714 363 K HN -0.048 nan 8.250 nan 0.000 0.438 364 V N 1.760 121.581 119.914 -0.154 0.000 2.287 364 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 364 V C 2.289 178.236 176.094 -0.245 0.000 1.053 364 V CA 2.306 64.491 62.300 -0.192 0.000 1.027 364 V CB -0.662 31.047 31.823 -0.190 0.000 0.646 364 V HN 0.400 nan 8.190 nan 0.000 0.447 365 R N 2.198 122.445 120.500 -0.421 0.000 2.193 365 R HA -0.160 4.180 4.340 -0.000 0.000 0.229 365 R C 1.792 178.000 176.300 -0.153 0.000 1.110 365 R CA 1.841 57.743 56.100 -0.329 0.000 0.988 365 R CB -0.358 29.676 30.300 -0.444 0.000 0.871 365 R HN 0.662 nan 8.270 nan 0.000 0.458 366 K N -1.065 119.259 120.400 -0.126 0.000 2.402 366 K HA 0.296 4.616 4.320 -0.000 0.000 0.204 366 K C -0.032 176.538 176.600 -0.050 0.000 1.056 366 K CA -0.643 55.603 56.287 -0.068 0.000 1.069 366 K CB 0.524 32.994 32.500 -0.049 0.000 0.888 366 K HN -0.100 nan 8.250 nan 0.000 0.546 367 R N 0.000 120.465 120.500 -0.058 0.000 2.786 367 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 367 R CA 0.000 56.076 56.100 -0.040 0.000 0.921 367 R CB 0.000 30.275 30.300 -0.041 0.000 0.687 367 R HN 0.000 nan 8.270 nan 0.000 0.535