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 1ova_1_D DATA FIRST_RESID 24 DATA SEQUENCE GSIGAASMEF CFDVFKELKV HHANENIFYC PIAIMSALAM VYLGAKDSTR DATA SEQUENCE TQINKVVRFK LPGGTSVNVH SSLRDILNQI TKPNDVYSFS LASRLYAEER DATA SEQUENCE YPILPEYLQC VKELYRGGLE PINFQAADQA RELINSWVES QTNGIIRNVL DATA SEQUENCE QPSSVQTAMV LVNAIVFKGL WEKAFKDEDT QAMPFRVTEQ ESKPVQMMYQ DATA SEQUENCE IGLFRVASMA SEKMKILELP FSGTMSMLVL LPEVSGLEQL ESIINFEKLT DATA SEQUENCE EWTSSNVERK IKVYLPRMKM EEKYNLTSVL MAMGITDVFS SSANLSGISS DATA SEQUENCE AESLKISQAV HAAHAEINEA GREVVGSAEA GVDAASVSXE FRADHPFLFC DATA SEQUENCE IKHIATNAVL FFGRCVSP 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 24 G HA2 0.000 nan 3.960 nan 0.000 0.244 24 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 24 G C 0.000 174.889 174.900 -0.019 0.000 0.946 24 G CA 0.000 45.090 45.100 -0.017 0.000 0.502 25 S N -0.748 114.926 115.700 -0.042 0.000 2.565 25 S HA 0.573 5.043 4.470 0.000 0.000 0.269 25 S C 0.408 174.966 174.600 -0.070 0.000 1.153 25 S CA -0.060 58.119 58.200 -0.035 0.000 0.835 25 S CB 1.745 64.941 63.200 -0.006 0.000 1.122 25 S HN 0.707 nan 8.310 nan 0.000 0.462 26 I N 2.266 122.805 120.570 -0.051 0.000 2.353 26 I HA 0.191 4.361 4.170 0.000 0.000 0.248 26 I C 2.158 178.220 176.117 -0.092 0.000 1.119 26 I CA 1.994 63.250 61.300 -0.074 0.000 1.417 26 I CB -0.967 36.995 38.000 -0.064 0.000 1.078 26 I HN 0.959 nan 8.210 nan 0.000 0.421 27 G N 0.310 109.078 108.800 -0.053 0.000 2.514 27 G HA2 -0.331 3.629 3.960 0.000 0.000 0.217 27 G HA3 -0.331 3.629 3.960 0.000 0.000 0.217 27 G C 1.752 176.529 174.900 -0.205 0.000 1.198 27 G CA 0.987 46.058 45.100 -0.049 0.000 0.780 27 G HN 0.586 nan 8.290 nan 0.000 0.565 28 A N 1.064 123.671 122.820 -0.356 0.000 1.902 28 A HA 0.273 4.593 4.320 0.000 0.000 0.217 28 A C 2.858 180.084 177.584 -0.596 0.000 1.181 28 A CA 2.341 53.811 52.037 -0.945 0.000 0.623 28 A CB -0.896 17.606 19.000 -0.831 0.000 0.818 28 A HN 0.929 nan 8.150 nan 0.000 0.443 29 A N 0.520 123.145 122.820 -0.324 0.000 1.873 29 A HA -0.197 4.123 4.320 0.000 0.000 0.218 29 A C 2.547 180.021 177.584 -0.185 0.000 1.193 29 A CA 2.853 54.752 52.037 -0.229 0.000 0.629 29 A CB -1.122 17.772 19.000 -0.178 0.000 0.826 29 A HN 1.090 nan 8.150 nan 0.000 0.447 30 S N -1.147 114.450 115.700 -0.172 0.000 2.428 30 S HA -0.045 4.425 4.470 0.000 0.000 0.230 30 S C 1.935 176.447 174.600 -0.146 0.000 1.014 30 S CA 1.377 59.514 58.200 -0.105 0.000 0.957 30 S CB -0.393 62.742 63.200 -0.109 0.000 0.784 30 S HN 0.433 nan 8.310 nan 0.000 0.499 31 M N 1.570 121.041 119.600 -0.214 0.000 2.156 31 M HA 0.001 4.481 4.480 0.000 0.000 0.264 31 M C 2.188 178.401 176.300 -0.144 0.000 1.067 31 M CA 1.373 56.547 55.300 -0.209 0.000 1.131 31 M CB -0.905 31.691 32.600 -0.006 0.000 1.368 31 M HN 0.510 nan 8.290 nan 0.000 0.416 32 E N -0.081 120.041 120.200 -0.130 0.000 2.072 32 E HA -0.168 4.182 4.350 0.000 0.000 0.190 32 E C 1.830 178.414 176.600 -0.026 0.000 0.982 32 E CA 0.961 57.359 56.400 -0.004 0.000 0.803 32 E CB -0.356 29.319 29.700 -0.042 0.000 0.755 32 E HN 0.278 nan 8.360 nan 0.000 0.453 33 F N 1.987 121.823 119.950 -0.191 0.000 2.063 33 F HA -0.347 4.180 4.527 0.000 0.000 0.298 33 F C 2.507 178.191 175.800 -0.192 0.000 1.109 33 F CA 1.541 59.422 58.000 -0.197 0.000 1.212 33 F CB -0.847 38.009 39.000 -0.239 0.000 0.973 33 F HN 0.132 nan 8.300 nan 0.000 0.480 34 C N 0.298 119.374 119.300 -0.373 0.000 2.385 34 C HA -0.281 4.179 4.460 0.000 0.000 0.275 34 C C 2.819 177.475 174.990 -0.557 0.000 1.207 34 C CA 1.665 60.347 59.018 -0.559 0.000 1.760 34 C CB -1.813 25.427 27.740 -0.834 0.000 2.051 34 C HN 0.491 nan 8.230 nan 0.000 0.467 35 F N 0.964 120.786 119.950 -0.212 0.000 2.416 35 F HA 0.074 4.601 4.527 0.000 0.000 0.296 35 F C 2.187 177.942 175.800 -0.076 0.000 1.099 35 F CA 1.308 59.224 58.000 -0.141 0.000 1.427 35 F CB -0.723 38.195 39.000 -0.136 0.000 1.079 35 F HN 0.244 nan 8.300 nan 0.000 0.536 36 D N 0.048 120.427 120.400 -0.035 0.000 2.117 36 D HA -0.117 4.523 4.640 0.000 0.000 0.198 36 D C 2.572 178.768 176.300 -0.172 0.000 0.982 36 D CA 1.103 55.052 54.000 -0.085 0.000 0.828 36 D CB -0.539 40.203 40.800 -0.097 0.000 0.967 36 D HN 0.086 nan 8.370 nan 0.000 0.464 37 V N 1.123 120.820 119.914 -0.361 0.000 2.295 37 V HA -0.244 3.876 4.120 0.000 0.000 0.246 37 V C 2.200 178.158 176.094 -0.227 0.000 1.049 37 V CA 1.227 63.274 62.300 -0.422 0.000 1.024 37 V CB -0.599 30.773 31.823 -0.752 0.000 0.648 37 V HN 0.056 nan 8.190 nan 0.000 0.447 38 F N 1.492 121.335 119.950 -0.178 0.000 2.091 38 F HA -0.271 4.256 4.527 0.000 0.000 0.299 38 F C 2.501 178.316 175.800 0.024 0.000 1.103 38 F CA 2.392 60.413 58.000 0.035 0.000 1.228 38 F CB -0.459 38.662 39.000 0.202 0.000 0.984 38 F HN 0.077 nan 8.300 nan 0.000 0.477 39 K N -0.010 120.351 120.400 -0.065 0.000 2.063 39 K HA -0.214 4.106 4.320 0.000 0.000 0.208 39 K C 2.022 178.523 176.600 -0.165 0.000 1.048 39 K CA 1.838 58.047 56.287 -0.131 0.000 0.928 39 K CB -0.185 32.299 32.500 -0.025 0.000 0.713 39 K HN 0.163 nan 8.250 nan 0.000 0.442 40 E N 0.770 120.891 120.200 -0.130 0.000 2.072 40 E HA -0.142 4.208 4.350 0.000 0.000 0.191 40 E C 2.090 178.656 176.600 -0.056 0.000 0.985 40 E CA 1.067 57.416 56.400 -0.084 0.000 0.801 40 E CB -0.178 29.488 29.700 -0.056 0.000 0.750 40 E HN 0.398 nan 8.360 nan 0.000 0.452 41 L N 0.544 121.699 121.223 -0.114 0.000 2.141 41 L HA -0.140 4.200 4.340 0.000 0.000 0.209 41 L C 2.312 179.187 176.870 0.008 0.000 1.094 41 L CA 0.997 55.844 54.840 0.013 0.000 0.763 41 L CB -0.288 41.666 42.059 -0.173 0.000 0.908 41 L HN 0.055 nan 8.230 nan 0.000 0.437 42 K N -0.196 120.045 120.400 -0.264 0.000 2.097 42 K HA -0.133 4.187 4.320 0.000 0.000 0.206 42 K C 2.033 178.507 176.600 -0.210 0.000 1.049 42 K CA 1.118 57.242 56.287 -0.272 0.000 0.933 42 K CB -0.315 31.927 32.500 -0.431 0.000 0.717 42 K HN 0.051 nan 8.250 nan 0.000 0.442 43 V N 1.472 121.194 119.914 -0.320 0.000 2.250 43 V HA -0.307 3.813 4.120 0.000 0.000 0.250 43 V C 2.032 177.791 176.094 -0.558 0.000 1.060 43 V CA 1.954 63.947 62.300 -0.512 0.000 1.030 43 V CB -0.614 30.749 31.823 -0.767 0.000 0.643 43 V HN 0.426 nan 8.190 nan 0.000 0.445 44 H N -1.548 117.430 119.070 -0.154 0.000 2.563 44 H HA 0.162 4.718 4.556 0.000 0.000 0.264 44 H C 0.624 175.623 175.328 -0.549 0.000 0.957 44 H CA 0.713 56.551 56.048 -0.350 0.000 1.173 44 H CB 0.176 29.672 29.762 -0.443 0.000 1.420 44 H HN 0.586 nan 8.280 nan 0.000 0.551 45 H N -0.130 118.987 119.070 0.077 0.000 2.674 45 H HA 0.400 4.956 4.556 0.000 0.000 0.235 45 H C 0.233 175.602 175.328 0.069 0.000 1.330 45 H CA -0.386 55.728 56.048 0.110 0.000 1.052 45 H CB 0.234 30.109 29.762 0.188 0.000 1.954 45 H HN 0.134 nan 8.280 nan 0.000 0.566 46 A N 0.942 123.809 122.820 0.079 0.000 2.561 46 A HA -0.008 4.312 4.320 0.000 0.000 0.234 46 A C 0.886 178.528 177.584 0.097 0.000 1.055 46 A CA 0.623 52.698 52.037 0.063 0.000 0.756 46 A CB -0.291 18.719 19.000 0.017 0.000 0.986 46 A HN 0.881 nan 8.150 nan 0.000 0.505 47 N N -1.047 117.712 118.700 0.098 0.000 2.778 47 N HA -0.167 4.573 4.740 0.000 0.000 0.249 47 N C -0.449 175.127 175.510 0.110 0.000 1.069 47 N CA 1.133 54.240 53.050 0.096 0.000 0.831 47 N CB -0.972 37.559 38.487 0.073 0.000 1.142 47 N HN 0.721 nan 8.380 nan 0.000 0.573 48 E N -0.239 120.046 120.200 0.142 0.000 2.281 48 E HA 0.401 4.751 4.350 0.000 0.000 0.262 48 E C -0.182 176.505 176.600 0.145 0.000 0.933 48 E CA -1.015 55.470 56.400 0.142 0.000 0.809 48 E CB 0.922 30.739 29.700 0.195 0.000 1.242 48 E HN 0.158 nan 8.360 nan 0.000 0.418 49 N N 0.320 119.086 118.700 0.110 0.000 2.407 49 N HA 0.160 4.900 4.740 0.000 0.000 0.250 49 N C -0.332 175.301 175.510 0.204 0.000 1.236 49 N CA 0.440 53.563 53.050 0.120 0.000 0.879 49 N CB 0.165 38.690 38.487 0.064 0.000 1.088 49 N HN 0.431 nan 8.380 nan 0.000 0.450 50 I N 1.315 122.044 120.570 0.264 0.000 2.646 50 I HA 0.502 4.672 4.170 0.000 0.000 0.299 50 I C -0.895 175.509 176.117 0.478 0.000 1.036 50 I CA -0.812 60.727 61.300 0.398 0.000 1.074 50 I CB 1.551 39.821 38.000 0.449 0.000 1.258 50 I HN 0.302 nan 8.210 nan 0.000 0.430 51 F N 7.346 127.570 119.950 0.456 0.000 2.639 51 F HA 0.553 5.080 4.527 0.000 0.000 0.326 51 F C -1.780 174.368 175.800 0.580 0.000 1.150 51 F CA -0.579 57.606 58.000 0.308 0.000 1.057 51 F CB 1.135 40.262 39.000 0.212 0.000 1.300 51 F HN 0.403 nan 8.300 nan 0.000 0.486 52 Y N 2.372 122.492 120.300 -0.300 0.000 2.713 52 Y HA 0.619 5.169 4.550 0.000 0.000 0.335 52 Y C -1.751 174.083 175.900 -0.110 0.000 1.222 52 Y CA -2.072 56.019 58.100 -0.016 0.000 1.061 52 Y CB 1.069 39.586 38.460 0.094 0.000 1.314 52 Y HN 0.761 nan 8.280 nan 0.000 0.453 53 C N 3.787 123.218 119.300 0.218 0.000 2.335 53 C HA 0.562 5.022 4.460 0.000 0.000 0.318 53 C C -1.849 173.047 174.990 -0.156 0.000 1.150 53 C CA -2.118 56.776 59.018 -0.206 0.000 1.466 53 C CB 0.335 27.966 27.740 -0.182 0.000 2.024 53 C HN 0.742 nan 8.230 nan 0.000 0.429 54 P HA -0.065 nan 4.420 nan 0.000 0.217 54 P C 1.492 178.781 177.300 -0.019 0.000 1.150 54 P CA 1.014 64.128 63.100 0.024 0.000 0.832 54 P CB 0.136 31.820 31.700 -0.027 0.000 0.787 55 I N -0.554 119.930 120.570 -0.142 0.000 2.394 55 I HA -0.152 4.018 4.170 0.000 0.000 0.251 55 I C 2.011 178.069 176.117 -0.098 0.000 1.136 55 I CA 1.060 62.277 61.300 -0.139 0.000 1.425 55 I CB -0.762 37.114 38.000 -0.208 0.000 1.079 55 I HN -0.173 nan 8.210 nan 0.000 0.425 56 A N 0.263 123.032 122.820 -0.084 0.000 1.897 56 A HA -0.090 4.230 4.320 0.000 0.000 0.215 56 A C 2.268 179.870 177.584 0.029 0.000 1.181 56 A CA 1.529 53.576 52.037 0.016 0.000 0.620 56 A CB -0.864 18.211 19.000 0.126 0.000 0.821 56 A HN 0.442 nan 8.150 nan 0.000 0.443 57 I N -0.699 119.855 120.570 -0.026 0.000 2.208 57 I HA -0.325 3.845 4.170 0.000 0.000 0.245 57 I C 2.707 178.798 176.117 -0.044 0.000 1.097 57 I CA 1.611 62.901 61.300 -0.017 0.000 1.363 57 I CB -0.343 37.653 38.000 -0.007 0.000 1.051 57 I HN 0.327 nan 8.210 nan 0.000 0.413 58 M N 0.302 119.837 119.600 -0.109 0.000 2.117 58 M HA -0.187 4.293 4.480 0.000 0.000 0.262 58 M C 2.587 178.875 176.300 -0.021 0.000 1.065 58 M CA 2.188 57.380 55.300 -0.180 0.000 1.114 58 M CB -0.404 32.089 32.600 -0.178 0.000 1.361 58 M HN 0.394 nan 8.290 nan 0.000 0.408 59 S N 0.352 116.036 115.700 -0.027 0.000 2.402 59 S HA -0.019 4.451 4.470 0.000 0.000 0.229 59 S C 2.043 176.533 174.600 -0.183 0.000 1.021 59 S CA 0.811 58.980 58.200 -0.051 0.000 0.974 59 S CB -0.561 62.681 63.200 0.069 0.000 0.800 59 S HN 0.432 nan 8.310 nan 0.000 0.484 60 A N 2.571 125.349 122.820 -0.070 0.000 1.851 60 A HA 0.059 4.379 4.320 0.000 0.000 0.216 60 A C 2.333 179.893 177.584 -0.039 0.000 1.195 60 A CA 1.666 53.678 52.037 -0.042 0.000 0.622 60 A CB -1.102 17.935 19.000 0.062 0.000 0.831 60 A HN 0.535 nan 8.150 nan 0.000 0.444 61 L N -0.725 120.504 121.223 0.009 0.000 2.127 61 L HA -0.219 4.121 4.340 0.000 0.000 0.211 61 L C 3.035 179.975 176.870 0.117 0.000 1.089 61 L CA 1.005 55.889 54.840 0.072 0.000 0.757 61 L CB -0.521 41.557 42.059 0.033 0.000 0.899 61 L HN 0.461 nan 8.230 nan 0.000 0.434 62 A N -0.466 122.355 122.820 0.003 0.000 1.972 62 A HA -0.211 4.109 4.320 0.000 0.000 0.219 62 A C 2.337 179.894 177.584 -0.045 0.000 1.169 62 A CA 1.535 53.448 52.037 -0.206 0.000 0.635 62 A CB -0.404 18.360 19.000 -0.394 0.000 0.810 62 A HN 0.338 nan 8.150 nan 0.000 0.446 63 M N -0.806 118.639 119.600 -0.258 0.000 2.117 63 M HA -0.136 4.344 4.480 0.000 0.000 0.262 63 M C 2.126 178.489 176.300 0.104 0.000 1.065 63 M CA 1.442 56.627 55.300 -0.191 0.000 1.114 63 M CB -0.430 32.009 32.600 -0.268 0.000 1.361 63 M HN 0.287 nan 8.290 nan 0.000 0.408 64 V N -0.775 119.187 119.914 0.079 0.000 2.295 64 V HA -0.290 3.830 4.120 0.000 0.000 0.246 64 V C 2.128 178.293 176.094 0.119 0.000 1.049 64 V CA 1.835 64.188 62.300 0.088 0.000 1.024 64 V CB -0.973 30.877 31.823 0.045 0.000 0.648 64 V HN 0.392 nan 8.190 nan 0.000 0.447 65 Y N 0.527 120.850 120.300 0.038 0.000 2.151 65 Y HA -0.254 4.296 4.550 0.000 0.000 0.284 65 Y C 2.235 178.171 175.900 0.059 0.000 1.166 65 Y CA 1.488 59.619 58.100 0.051 0.000 1.163 65 Y CB -0.420 38.054 38.460 0.024 0.000 0.974 65 Y HN 0.138 nan 8.280 nan 0.000 0.511 66 L N -0.892 120.418 121.223 0.145 0.000 2.081 66 L HA -0.238 4.103 4.340 0.000 0.000 0.212 66 L C 2.206 179.111 176.870 0.058 0.000 1.080 66 L CA 1.650 56.550 54.840 0.101 0.000 0.754 66 L CB -0.810 41.362 42.059 0.189 0.000 0.893 66 L HN 0.419 nan 8.230 nan 0.000 0.433 67 G N -1.450 107.364 108.800 0.024 0.000 3.502 67 G HA2 0.450 4.410 3.960 0.000 0.000 0.267 67 G HA3 0.450 4.410 3.960 0.000 0.000 0.267 67 G C 0.225 175.005 174.900 -0.201 0.000 1.090 67 G CA 0.323 45.317 45.100 -0.176 0.000 0.795 67 G HN 0.299 nan 8.290 nan 0.000 0.535 68 A N 0.513 123.218 122.820 -0.192 0.000 2.304 68 A HA 0.819 5.139 4.320 0.000 0.000 0.301 68 A C -0.122 177.349 177.584 -0.188 0.000 1.132 68 A CA -0.289 51.639 52.037 -0.181 0.000 0.819 68 A CB 1.258 20.172 19.000 -0.142 0.000 1.094 68 A HN 0.086 nan 8.150 nan 0.000 0.492 69 K N 0.923 121.239 120.400 -0.139 0.000 2.480 69 K HA 0.503 4.824 4.320 0.000 0.000 0.258 69 K C -0.483 176.068 176.600 -0.082 0.000 0.990 69 K CA -0.446 55.773 56.287 -0.114 0.000 0.857 69 K CB 1.240 33.683 32.500 -0.096 0.000 1.384 69 K HN 0.793 nan 8.250 nan 0.000 0.446 70 D N -0.308 120.055 120.400 -0.063 0.000 3.393 70 D HA -0.257 4.383 4.640 0.000 0.000 0.178 70 D C 0.938 177.220 176.300 -0.031 0.000 1.201 70 D CA 2.136 56.111 54.000 -0.042 0.000 1.086 70 D CB -1.210 39.565 40.800 -0.042 0.000 0.568 70 D HN 0.553 nan 8.370 nan 0.000 0.637 71 S N -1.425 114.259 115.700 -0.027 0.000 2.489 71 S HA -0.038 4.432 4.470 0.000 0.000 0.228 71 S C 1.736 176.325 174.600 -0.017 0.000 0.995 71 S CA 1.942 60.133 58.200 -0.015 0.000 0.934 71 S CB -0.178 63.014 63.200 -0.014 0.000 0.771 71 S HN 0.479 nan 8.310 nan 0.000 0.522 72 T N 2.468 116.999 114.554 -0.038 0.000 2.674 72 T HA -0.080 4.270 4.350 0.000 0.000 0.265 72 T C 1.869 176.561 174.700 -0.012 0.000 1.039 72 T CA 1.642 63.710 62.100 -0.052 0.000 1.150 72 T CB -0.323 68.491 68.868 -0.090 0.000 0.864 72 T HN 0.561 nan 8.240 nan 0.000 0.427 73 R N 0.270 120.761 120.500 -0.015 0.000 2.081 73 R HA -0.102 4.238 4.340 0.000 0.000 0.235 73 R C 2.457 178.851 176.300 0.157 0.000 1.131 73 R CA 1.751 57.872 56.100 0.035 0.000 0.960 73 R CB -0.545 29.681 30.300 -0.123 0.000 0.856 73 R HN 0.246 nan 8.270 nan 0.000 0.436 74 T N 0.958 115.559 114.554 0.078 0.000 2.708 74 T HA -0.156 4.194 4.350 0.000 0.000 0.266 74 T C 1.734 176.474 174.700 0.067 0.000 1.037 74 T CA 1.585 63.731 62.100 0.077 0.000 1.146 74 T CB -0.121 68.767 68.868 0.034 0.000 0.865 74 T HN 0.421 nan 8.240 nan 0.000 0.435 75 Q N 0.165 119.991 119.800 0.042 0.000 2.050 75 Q HA -0.046 4.294 4.340 0.000 0.000 0.202 75 Q C 2.403 178.411 176.000 0.014 0.000 0.980 75 Q CA 1.302 57.118 55.803 0.022 0.000 0.840 75 Q CB -0.388 28.355 28.738 0.009 0.000 0.898 75 Q HN 0.529 nan 8.270 nan 0.000 0.424 76 I N 0.864 121.462 120.570 0.047 0.000 2.163 76 I HA -0.303 3.867 4.170 0.000 0.000 0.243 76 I C 2.198 178.255 176.117 -0.100 0.000 1.085 76 I CA 1.304 62.613 61.300 0.015 0.000 1.347 76 I CB -0.398 37.715 38.000 0.188 0.000 1.044 76 I HN 0.258 nan 8.210 nan 0.000 0.408 77 N N 0.936 119.674 118.700 0.063 0.000 2.043 77 N HA -0.210 4.530 4.740 0.000 0.000 0.193 77 N C 1.785 177.231 175.510 -0.107 0.000 1.037 77 N CA 1.460 54.498 53.050 -0.019 0.000 0.851 77 N CB 0.084 38.695 38.487 0.207 0.000 1.027 77 N HN 0.019 nan 8.380 nan 0.000 0.422 78 K N 0.178 120.551 120.400 -0.045 0.000 2.015 78 K HA -0.097 4.223 4.320 0.000 0.000 0.216 78 K C 2.012 178.555 176.600 -0.095 0.000 1.052 78 K CA 1.158 57.413 56.287 -0.053 0.000 0.937 78 K CB -1.151 31.338 32.500 -0.019 0.000 0.719 78 K HN 0.133 nan 8.250 nan 0.000 0.446 79 V N 0.454 120.305 119.914 -0.105 0.000 2.591 79 V HA -0.092 4.028 4.120 0.000 0.000 0.249 79 V C 2.146 178.168 176.094 -0.121 0.000 1.053 79 V CA 1.090 63.352 62.300 -0.063 0.000 1.068 79 V CB -0.008 31.814 31.823 -0.001 0.000 0.689 79 V HN -0.010 nan 8.190 nan 0.000 0.462 80 V N -1.487 118.174 119.914 -0.421 0.000 3.431 80 V HA 0.105 4.226 4.120 0.000 0.000 0.253 80 V C 1.312 176.923 176.094 -0.804 0.000 1.184 80 V CA 0.680 62.461 62.300 -0.865 0.000 1.104 80 V CB 0.278 31.252 31.823 -1.415 0.000 0.799 80 V HN 0.463 nan 8.190 nan 0.000 0.462 81 R N -1.035 119.126 120.500 -0.566 0.000 3.407 81 R HA -0.146 4.194 4.340 0.000 0.000 0.277 81 R C 0.040 176.152 176.300 -0.314 0.000 1.119 81 R CA 0.475 56.363 56.100 -0.352 0.000 0.750 81 R CB -3.211 26.948 30.300 -0.236 0.000 1.258 81 R HN 0.458 nan 8.270 nan 0.000 0.432 82 F N 1.037 120.788 119.950 -0.330 0.000 2.665 82 F HA 0.102 4.629 4.527 0.000 0.000 0.360 82 F C 1.946 177.623 175.800 -0.204 0.000 1.168 82 F CA -0.135 57.644 58.000 -0.369 0.000 1.366 82 F CB -0.363 38.218 39.000 -0.699 0.000 1.592 82 F HN 0.186 nan 8.300 nan 0.000 0.610 83 K N 0.538 120.938 120.400 0.000 0.000 2.662 83 K HA -0.199 4.121 4.320 0.000 0.000 0.195 83 K C 0.762 177.363 176.600 0.001 0.000 1.048 83 K CA 0.567 56.855 56.287 0.002 0.000 0.914 83 K CB -1.588 30.913 32.500 0.000 0.000 0.772 83 K HN 0.512 nan 8.250 nan 0.000 0.529 84 L N 0.608 121.832 121.223 0.002 0.000 2.395 84 L HA 0.352 4.692 4.340 0.000 0.000 0.269 84 L C -2.114 174.754 176.870 -0.003 0.000 1.133 84 L CA -2.426 52.409 54.840 -0.008 0.000 0.812 84 L CB 0.803 42.853 42.059 -0.015 0.000 1.125 84 L HN -0.000 nan 8.230 nan 0.000 0.452 85 P HA 0.288 nan 4.420 nan 0.000 0.276 85 P C -0.086 177.215 177.300 0.002 0.000 1.243 85 P CA 0.230 63.331 63.100 0.001 0.000 0.768 85 P CB 0.993 32.693 31.700 0.000 0.000 0.856 86 G N 2.187 111.001 108.800 0.022 0.000 2.629 86 G HA2 0.129 4.089 3.960 0.000 0.000 0.686 86 G HA3 0.129 4.089 3.960 0.000 0.000 0.686 86 G C 0.363 175.335 174.900 0.121 0.000 1.232 86 G CA -0.497 44.636 45.100 0.054 0.000 0.803 86 G HN 0.628 nan 8.290 nan 0.000 0.638 87 G N -0.870 107.883 108.800 -0.079 0.000 3.414 87 G HA2 0.501 4.461 3.960 0.000 0.000 0.258 87 G HA3 0.501 4.461 3.960 0.000 0.000 0.258 87 G C 0.998 175.860 174.900 -0.063 0.000 1.348 87 G CA 1.720 46.774 45.100 -0.076 0.000 1.319 87 G HN 1.729 nan 8.290 nan 0.000 0.555 88 T N -1.675 112.840 114.554 -0.064 0.000 3.469 88 T HA 0.117 4.467 4.350 0.000 0.000 0.242 88 T C 1.350 176.015 174.700 -0.059 0.000 0.994 88 T CA 1.002 63.070 62.100 -0.054 0.000 1.152 88 T CB -0.412 68.431 68.868 -0.041 0.000 1.205 88 T HN 0.365 nan 8.240 nan 0.000 0.372 89 S N 2.319 117.984 115.700 -0.059 0.000 2.537 89 S HA 0.268 4.738 4.470 0.000 0.000 0.286 89 S C 1.133 175.691 174.600 -0.070 0.000 1.299 89 S CA -0.105 58.061 58.200 -0.056 0.000 1.067 89 S CB 1.087 64.259 63.200 -0.047 0.000 0.864 89 S HN 0.427 nan 8.310 nan 0.000 0.494 90 V N 2.862 122.740 119.914 -0.060 0.000 3.444 90 V HA -0.062 4.059 4.120 0.000 0.000 0.271 90 V C 0.952 177.006 176.094 -0.066 0.000 1.188 90 V CA 1.170 63.429 62.300 -0.067 0.000 1.168 90 V CB -1.060 30.731 31.823 -0.053 0.000 0.810 90 V HN 0.860 nan 8.190 nan 0.000 0.500 91 N N -0.327 118.339 118.700 -0.057 0.000 2.280 91 N HA 0.083 4.823 4.740 0.000 0.000 0.192 91 N C 0.399 175.883 175.510 -0.042 0.000 1.109 91 N CA 0.172 53.197 53.050 -0.041 0.000 0.855 91 N CB 0.652 39.123 38.487 -0.026 0.000 0.974 91 N HN 0.360 nan 8.380 nan 0.000 0.482 92 V N 1.878 121.745 119.914 -0.078 0.000 2.521 92 V HA -0.005 4.116 4.120 0.000 0.000 0.286 92 V C 0.820 176.901 176.094 -0.020 0.000 1.034 92 V CA 0.093 62.337 62.300 -0.094 0.000 1.045 92 V CB -0.531 31.170 31.823 -0.203 0.000 0.974 92 V HN 0.551 nan 8.190 nan 0.000 0.480 93 H N 2.046 121.068 119.070 -0.080 0.000 2.899 93 H HA -0.232 4.324 4.556 0.000 0.000 0.282 93 H C 1.922 177.191 175.328 -0.100 0.000 1.198 93 H CA 0.222 56.212 56.048 -0.095 0.000 1.140 93 H CB -0.962 28.748 29.762 -0.086 0.000 1.317 93 H HN 0.934 nan 8.280 nan 0.000 0.375 94 S N -0.284 115.432 115.700 0.027 0.000 2.365 94 S HA -0.258 4.212 4.470 0.000 0.000 0.225 94 S C 2.349 176.930 174.600 -0.031 0.000 1.039 94 S CA 1.494 59.682 58.200 -0.019 0.000 1.033 94 S CB -0.427 62.763 63.200 -0.016 0.000 0.887 94 S HN 0.599 nan 8.310 nan 0.000 0.447 95 S N 2.099 117.781 115.700 -0.030 0.000 2.383 95 S HA -0.061 4.409 4.470 0.000 0.000 0.229 95 S C 1.785 176.346 174.600 -0.065 0.000 1.030 95 S CA 1.208 59.382 58.200 -0.043 0.000 1.002 95 S CB -0.744 62.432 63.200 -0.039 0.000 0.829 95 S HN 0.398 nan 8.310 nan 0.000 0.467 96 L N 1.541 122.722 121.223 -0.070 0.000 2.102 96 L HA 0.273 4.613 4.340 0.000 0.000 0.202 96 L C 2.611 179.441 176.870 -0.068 0.000 1.076 96 L CA 1.321 56.118 54.840 -0.071 0.000 0.761 96 L CB -0.578 41.443 42.059 -0.064 0.000 0.921 96 L HN 0.144 nan 8.230 nan 0.000 0.444 97 R N -0.405 120.058 120.500 -0.062 0.000 2.115 97 R HA -0.123 4.217 4.340 0.000 0.000 0.230 97 R C 1.773 178.015 176.300 -0.096 0.000 1.111 97 R CA 1.278 57.318 56.100 -0.100 0.000 0.976 97 R CB -0.442 29.757 30.300 -0.169 0.000 0.870 97 R HN 0.383 nan 8.270 nan 0.000 0.445 98 D N 0.858 121.209 120.400 -0.081 0.000 2.123 98 D HA -0.138 4.502 4.640 0.000 0.000 0.196 98 D C 1.866 178.108 176.300 -0.097 0.000 0.992 98 D CA 1.135 55.094 54.000 -0.069 0.000 0.833 98 D CB -0.100 40.673 40.800 -0.045 0.000 0.954 98 D HN 0.215 nan 8.370 nan 0.000 0.455 99 I N 0.233 120.710 120.570 -0.154 0.000 2.202 99 I HA -0.198 3.972 4.170 0.000 0.000 0.242 99 I C 2.410 178.396 176.117 -0.218 0.000 1.091 99 I CA 0.571 61.710 61.300 -0.269 0.000 1.368 99 I CB -0.116 37.651 38.000 -0.388 0.000 1.058 99 I HN -0.013 nan 8.210 nan 0.000 0.410 100 L N 0.482 121.607 121.223 -0.164 0.000 2.046 100 L HA -0.223 4.117 4.340 0.000 0.000 0.208 100 L C 2.134 178.941 176.870 -0.105 0.000 1.077 100 L CA 1.808 56.561 54.840 -0.144 0.000 0.747 100 L CB -0.796 41.223 42.059 -0.067 0.000 0.896 100 L HN 0.347 nan 8.230 nan 0.000 0.432 101 N N -0.757 117.895 118.700 -0.080 0.000 2.149 101 N HA -0.271 4.469 4.740 0.000 0.000 0.188 101 N C 1.872 177.372 175.510 -0.017 0.000 1.019 101 N CA 0.976 53.999 53.050 -0.045 0.000 0.857 101 N CB -0.063 38.394 38.487 -0.050 0.000 0.997 101 N HN 0.399 nan 8.380 nan 0.000 0.426 102 Q N 1.247 121.034 119.800 -0.023 0.000 2.016 102 Q HA -0.138 4.202 4.340 0.000 0.000 0.200 102 Q C 2.134 178.189 176.000 0.091 0.000 0.978 102 Q CA 1.368 57.198 55.803 0.045 0.000 0.833 102 Q CB -0.006 28.773 28.738 0.069 0.000 0.895 102 Q HN 0.562 nan 8.270 nan 0.000 0.427 103 I N -1.655 118.901 120.570 -0.022 0.000 2.928 103 I HA -0.013 4.157 4.170 0.000 0.000 0.266 103 I C 1.868 178.053 176.117 0.113 0.000 1.234 103 I CA 1.251 62.538 61.300 -0.023 0.000 1.483 103 I CB -0.330 37.245 38.000 -0.709 0.000 1.097 103 I HN 0.068 nan 8.210 nan 0.000 0.455 104 T N -1.984 112.595 114.554 0.042 0.000 3.057 104 T HA 0.122 4.472 4.350 0.000 0.000 0.254 104 T C 0.927 175.697 174.700 0.116 0.000 1.094 104 T CA -0.185 61.975 62.100 0.101 0.000 1.088 104 T CB -0.180 68.718 68.868 0.049 0.000 0.934 104 T HN 0.247 nan 8.240 nan 0.000 0.497 105 K N 3.640 124.097 120.400 0.095 0.000 2.451 105 K HA 0.164 4.484 4.320 0.000 0.000 0.280 105 K C -2.232 174.395 176.600 0.046 0.000 1.020 105 K CA -1.683 54.640 56.287 0.061 0.000 1.008 105 K CB 0.327 32.860 32.500 0.055 0.000 0.917 105 K HN 0.178 nan 8.250 nan 0.000 0.478 106 P HA -0.032 nan 4.420 nan 0.000 0.266 106 P C -1.381 175.874 177.300 -0.075 0.000 1.195 106 P CA 0.051 63.141 63.100 -0.017 0.000 0.768 106 P CB 0.436 32.131 31.700 -0.008 0.000 0.838 107 N N 0.086 118.694 118.700 -0.153 0.000 2.825 107 N HA 0.200 4.940 4.740 0.000 0.000 0.253 107 N C -0.035 175.354 175.510 -0.201 0.000 1.426 107 N CA -0.751 52.171 53.050 -0.214 0.000 0.851 107 N CB 0.581 38.853 38.487 -0.359 0.000 1.470 107 N HN 0.251 nan 8.380 nan 0.000 0.517 108 D N -0.407 119.902 120.400 -0.152 0.000 2.339 108 D HA -0.002 4.638 4.640 0.000 0.000 0.217 108 D C 0.881 177.131 176.300 -0.083 0.000 1.050 108 D CA 0.449 54.395 54.000 -0.090 0.000 0.856 108 D CB 0.093 40.866 40.800 -0.045 0.000 0.922 108 D HN 0.386 nan 8.370 nan 0.000 0.518 109 V N -2.605 117.226 119.914 -0.138 0.000 3.539 109 V HA 0.316 4.436 4.120 0.000 0.000 0.262 109 V C 0.280 176.392 176.094 0.031 0.000 1.381 109 V CA -0.107 62.184 62.300 -0.015 0.000 1.060 109 V CB -0.843 31.038 31.823 0.097 0.000 0.842 109 V HN 0.181 nan 8.190 nan 0.000 0.445 110 Y N -1.287 119.015 120.300 0.004 0.000 2.677 110 Y HA 0.860 5.410 4.550 0.000 0.000 0.334 110 Y C -0.648 175.206 175.900 -0.077 0.000 1.154 110 Y CA -1.374 56.655 58.100 -0.118 0.000 1.070 110 Y CB 1.386 39.797 38.460 -0.082 0.000 1.294 110 Y HN -0.118 nan 8.280 nan 0.000 0.475 111 S N 0.934 116.666 115.700 0.053 0.000 2.672 111 S HA 0.702 5.172 4.470 0.000 0.000 0.291 111 S C -2.034 172.662 174.600 0.161 0.000 1.145 111 S CA -0.465 57.793 58.200 0.097 0.000 1.013 111 S CB 0.059 63.235 63.200 -0.040 0.000 1.017 111 S HN 0.492 nan 8.310 nan 0.000 0.487 112 F N 2.634 122.775 119.950 0.319 0.000 2.436 112 F HA 0.544 5.071 4.527 0.000 0.000 0.340 112 F C 0.582 176.492 175.800 0.184 0.000 1.113 112 F CA -0.336 57.848 58.000 0.307 0.000 1.022 112 F CB 2.232 41.442 39.000 0.350 0.000 1.128 112 F HN 0.410 nan 8.300 nan 0.000 0.466 113 S N 4.342 120.260 115.700 0.363 0.000 2.596 113 S HA 0.550 5.020 4.470 0.000 0.000 0.318 113 S C -1.264 173.457 174.600 0.202 0.000 1.097 113 S CA -0.501 57.821 58.200 0.203 0.000 1.080 113 S CB 1.314 64.574 63.200 0.100 0.000 0.991 113 S HN 0.466 nan 8.310 nan 0.000 0.471 114 L N 3.583 124.904 121.223 0.162 0.000 2.307 114 L HA 0.847 5.187 4.340 0.000 0.000 0.284 114 L C -0.491 176.421 176.870 0.070 0.000 1.023 114 L CA -0.352 54.574 54.840 0.143 0.000 0.810 114 L CB 1.140 43.287 42.059 0.148 0.000 1.231 114 L HN 0.692 nan 8.230 nan 0.000 0.423 115 A N 3.550 126.396 122.820 0.042 0.000 2.360 115 A HA 0.704 5.024 4.320 0.000 0.000 0.309 115 A C -0.692 177.061 177.584 0.283 0.000 1.311 115 A CA -0.358 51.660 52.037 -0.031 0.000 0.805 115 A CB 0.799 19.590 19.000 -0.348 0.000 1.144 115 A HN 0.625 nan 8.150 nan 0.000 0.486 116 S N 2.316 118.273 115.700 0.429 0.000 2.647 116 S HA 0.780 5.250 4.470 0.000 0.000 0.300 116 S C -0.624 174.161 174.600 0.309 0.000 1.129 116 S CA -0.563 57.840 58.200 0.338 0.000 1.029 116 S CB 0.742 64.071 63.200 0.215 0.000 1.007 116 S HN 0.869 nan 8.310 nan 0.000 0.484 117 R N 3.811 124.443 120.500 0.221 0.000 2.629 117 R HA 0.492 4.832 4.340 0.000 0.000 0.266 117 R C -1.881 174.418 176.300 -0.002 0.000 1.051 117 R CA -0.646 55.436 56.100 -0.031 0.000 0.895 117 R CB 1.134 31.203 30.300 -0.385 0.000 1.246 117 R HN 0.610 nan 8.270 nan 0.000 0.459 118 L N 4.157 125.329 121.223 -0.084 0.000 2.264 118 L HA 0.430 4.770 4.340 0.000 0.000 0.289 118 L C -1.044 175.769 176.870 -0.094 0.000 1.044 118 L CA -0.616 54.228 54.840 0.007 0.000 0.807 118 L CB 0.969 43.053 42.059 0.041 0.000 1.192 118 L HN 0.597 nan 8.230 nan 0.000 0.425 119 Y N 2.503 122.864 120.300 0.102 0.000 2.335 119 Y HA 0.512 5.062 4.550 0.000 0.000 0.339 119 Y C 0.487 176.534 175.900 0.244 0.000 0.987 119 Y CA -0.423 57.747 58.100 0.117 0.000 1.140 119 Y CB 1.628 40.188 38.460 0.167 0.000 1.173 119 Y HN 0.572 nan 8.280 nan 0.000 0.486 120 A N 3.401 126.394 122.820 0.288 0.000 2.330 120 A HA 0.405 4.725 4.320 0.000 0.000 0.327 120 A C -0.236 177.551 177.584 0.338 0.000 1.155 120 A CA -0.878 51.356 52.037 0.329 0.000 0.803 120 A CB 0.656 19.778 19.000 0.205 0.000 1.208 120 A HN 0.631 nan 8.150 nan 0.000 0.477 121 E N 1.378 121.881 120.200 0.505 0.000 2.608 121 E HA -0.106 4.244 4.350 0.000 0.000 0.259 121 E C 1.051 177.708 176.600 0.095 0.000 0.951 121 E CA 0.693 57.271 56.400 0.296 0.000 0.945 121 E CB 0.517 30.393 29.700 0.293 0.000 0.916 121 E HN 0.789 nan 8.360 nan 0.000 0.477 122 E N 4.538 124.719 120.200 -0.031 0.000 2.347 122 E HA -0.209 4.142 4.350 0.000 0.000 0.196 122 E C 1.540 178.099 176.600 -0.069 0.000 1.008 122 E CA 0.693 57.072 56.400 -0.035 0.000 0.852 122 E CB -0.219 29.445 29.700 -0.060 0.000 0.783 122 E HN 0.479 nan 8.360 nan 0.000 0.505 123 R N 0.537 120.930 120.500 -0.179 0.000 2.237 123 R HA -0.072 4.268 4.340 0.000 0.000 0.219 123 R C -0.157 176.034 176.300 -0.183 0.000 1.080 123 R CA 0.418 56.389 56.100 -0.216 0.000 0.995 123 R CB -0.479 29.650 30.300 -0.286 0.000 0.875 123 R HN 0.098 nan 8.270 nan 0.000 0.462 124 Y N 2.979 123.291 120.300 0.020 0.000 2.359 124 Y HA 0.297 4.847 4.550 0.000 0.000 0.334 124 Y C -1.860 174.042 175.900 0.004 0.000 1.058 124 Y CA -3.352 54.755 58.100 0.011 0.000 1.244 124 Y CB 0.481 38.949 38.460 0.014 0.000 1.187 124 Y HN 0.052 nan 8.280 nan 0.000 0.510 125 P HA 0.128 nan 4.420 nan 0.000 0.276 125 P C -0.567 176.778 177.300 0.076 0.000 1.243 125 P CA 0.061 63.212 63.100 0.084 0.000 0.768 125 P CB 0.967 32.702 31.700 0.057 0.000 0.856 126 I N 4.125 124.734 120.570 0.066 0.000 2.353 126 I HA 0.224 4.394 4.170 0.000 0.000 0.293 126 I C 1.077 177.227 176.117 0.056 0.000 0.992 126 I CA -1.071 60.265 61.300 0.059 0.000 1.268 126 I CB 0.692 38.748 38.000 0.094 0.000 1.387 126 I HN 0.265 nan 8.210 nan 0.000 0.478 127 L N 8.601 129.853 121.223 0.047 0.000 2.559 127 L HA 0.025 4.365 4.340 0.000 0.000 0.274 127 L C -0.877 176.043 176.870 0.083 0.000 1.205 127 L CA -0.888 53.984 54.840 0.053 0.000 0.907 127 L CB 0.229 42.312 42.059 0.040 0.000 1.153 127 L HN 0.423 nan 8.230 nan 0.000 0.490 128 P HA -0.186 nan 4.420 nan 0.000 0.220 128 P C 0.808 178.126 177.300 0.031 0.000 1.148 128 P CA 1.185 64.305 63.100 0.034 0.000 0.803 128 P CB 0.101 31.811 31.700 0.015 0.000 0.782 129 E N -1.058 119.167 120.200 0.042 0.000 2.285 129 E HA -0.177 4.173 4.350 0.000 0.000 0.194 129 E C 2.007 178.630 176.600 0.038 0.000 0.997 129 E CA 0.640 57.054 56.400 0.023 0.000 0.845 129 E CB -1.211 28.500 29.700 0.019 0.000 0.782 129 E HN 0.274 nan 8.360 nan 0.000 0.491 130 Y N 1.825 122.103 120.300 -0.036 0.000 2.184 130 Y HA -0.022 4.528 4.550 0.000 0.000 0.290 130 Y C 2.265 178.147 175.900 -0.030 0.000 1.129 130 Y CA 1.151 59.229 58.100 -0.038 0.000 1.144 130 Y CB -0.215 38.222 38.460 -0.039 0.000 0.995 130 Y HN -0.087 nan 8.280 nan 0.000 0.513 131 L N -0.017 121.201 121.223 -0.009 0.000 2.046 131 L HA -0.252 4.088 4.340 0.000 0.000 0.208 131 L C 2.538 179.328 176.870 -0.133 0.000 1.077 131 L CA 1.939 56.732 54.840 -0.078 0.000 0.747 131 L CB -0.546 41.519 42.059 0.010 0.000 0.896 131 L HN 0.304 nan 8.230 nan 0.000 0.432 132 Q N -0.470 119.274 119.800 -0.094 0.000 2.061 132 Q HA -0.262 4.079 4.340 0.000 0.000 0.204 132 Q C 2.402 178.324 176.000 -0.130 0.000 0.984 132 Q CA 2.495 58.245 55.803 -0.088 0.000 0.846 132 Q CB -0.764 27.938 28.738 -0.060 0.000 0.902 132 Q HN 0.556 nan 8.270 nan 0.000 0.421 133 C N -0.876 118.322 119.300 -0.170 0.000 2.359 133 C HA -0.175 4.285 4.460 0.000 0.000 0.279 133 C C 2.541 177.391 174.990 -0.234 0.000 1.191 133 C CA 1.519 60.409 59.018 -0.212 0.000 1.764 133 C CB -1.177 26.411 27.740 -0.254 0.000 2.026 133 C HN 0.544 nan 8.230 nan 0.000 0.442 134 V N 0.986 120.691 119.914 -0.348 0.000 2.490 134 V HA -0.143 3.978 4.120 0.000 0.000 0.250 134 V C 2.635 178.668 176.094 -0.102 0.000 1.061 134 V CA 2.313 64.490 62.300 -0.205 0.000 1.064 134 V CB -1.091 30.544 31.823 -0.314 0.000 0.670 134 V HN 0.602 nan 8.190 nan 0.000 0.461 135 K N -0.506 119.813 120.400 -0.134 0.000 2.103 135 K HA -0.130 4.191 4.320 0.000 0.000 0.204 135 K C 2.349 178.899 176.600 -0.084 0.000 1.052 135 K CA 1.196 57.434 56.287 -0.083 0.000 0.945 135 K CB -0.502 31.953 32.500 -0.076 0.000 0.722 135 K HN 0.701 nan 8.250 nan 0.000 0.443 136 E N 0.726 120.861 120.200 -0.109 0.000 2.049 136 E HA -0.151 4.199 4.350 0.000 0.000 0.198 136 E C 1.953 178.456 176.600 -0.163 0.000 1.007 136 E CA 1.898 58.225 56.400 -0.121 0.000 0.809 136 E CB -0.380 29.244 29.700 -0.126 0.000 0.749 136 E HN 0.584 nan 8.360 nan 0.000 0.450 137 L N -2.318 118.771 121.223 -0.223 0.000 2.253 137 L HA 0.264 4.604 4.340 0.000 0.000 0.205 137 L C 0.304 176.806 176.870 -0.615 0.000 1.078 137 L CA 0.360 54.935 54.840 -0.442 0.000 0.805 137 L CB 0.258 41.970 42.059 -0.579 0.000 0.963 137 L HN 0.240 nan 8.230 nan 0.000 0.459 138 Y N -0.590 119.669 120.300 -0.067 0.000 2.329 138 Y HA 0.321 4.871 4.550 0.000 0.000 0.328 138 Y C 0.306 176.194 175.900 -0.020 0.000 0.992 138 Y CA -1.017 57.063 58.100 -0.032 0.000 1.151 138 Y CB 1.113 39.557 38.460 -0.027 0.000 1.150 138 Y HN -0.258 nan 8.280 nan 0.000 0.450 139 R N 0.663 121.246 120.500 0.138 0.000 2.817 139 R HA 0.368 4.708 4.340 0.000 0.000 0.264 139 R C 1.184 177.588 176.300 0.174 0.000 1.009 139 R CA 0.895 57.075 56.100 0.135 0.000 1.133 139 R CB -0.117 30.266 30.300 0.138 0.000 1.013 139 R HN 1.248 nan 8.270 nan 0.000 0.453 140 G N -0.449 108.446 108.800 0.159 0.000 4.365 140 G HA2 -0.153 3.807 3.960 0.000 0.000 0.214 140 G HA3 -0.153 3.807 3.960 0.000 0.000 0.214 140 G C 1.128 175.989 174.900 -0.065 0.000 1.450 140 G CA 0.430 45.597 45.100 0.113 0.000 0.937 140 G HN 1.916 nan 8.290 nan 0.000 0.625 141 G N 0.404 109.195 108.800 -0.015 0.000 2.611 141 G HA2 0.012 3.972 3.960 0.000 0.000 0.301 141 G HA3 0.012 3.972 3.960 0.000 0.000 0.301 141 G C 0.177 175.005 174.900 -0.121 0.000 1.233 141 G CA 1.008 46.076 45.100 -0.054 0.000 0.993 141 G HN 1.863 nan 8.290 nan 0.000 0.553 142 L N -0.166 120.982 121.223 -0.126 0.000 2.362 142 L HA 0.814 5.154 4.340 0.000 0.000 0.275 142 L C -0.967 175.787 176.870 -0.194 0.000 0.998 142 L CA -0.680 54.088 54.840 -0.121 0.000 0.820 142 L CB 1.982 44.068 42.059 0.045 0.000 1.270 142 L HN 0.657 nan 8.230 nan 0.000 0.415 143 E N 6.077 126.098 120.200 -0.298 0.000 2.224 143 E HA 0.522 4.872 4.350 0.000 0.000 0.265 143 E C -2.692 173.840 176.600 -0.113 0.000 0.878 143 E CA -2.193 54.036 56.400 -0.285 0.000 0.759 143 E CB 2.194 31.540 29.700 -0.591 0.000 1.164 143 E HN 0.202 nan 8.360 nan 0.000 0.414 144 P HA 0.395 nan 4.420 nan 0.000 0.278 144 P C -0.553 176.728 177.300 -0.031 0.000 1.238 144 P CA -0.380 62.717 63.100 -0.004 0.000 0.794 144 P CB 1.417 33.114 31.700 -0.005 0.000 0.955 145 I N 1.058 121.561 120.570 -0.113 0.000 3.093 145 I HA 0.334 4.504 4.170 0.000 0.000 0.308 145 I C -1.357 174.532 176.117 -0.380 0.000 1.303 145 I CA -1.048 60.099 61.300 -0.255 0.000 0.975 145 I CB 2.703 40.490 38.000 -0.355 0.000 1.286 145 I HN 0.174 nan 8.210 nan 0.000 0.459 146 N N 3.456 121.949 118.700 -0.345 0.000 2.485 146 N HA 0.348 5.088 4.740 0.000 0.000 0.243 146 N C -0.604 174.765 175.510 -0.235 0.000 0.987 146 N CA -0.098 52.819 53.050 -0.221 0.000 0.940 146 N CB 0.440 38.859 38.487 -0.113 0.000 1.122 146 N HN 0.411 nan 8.380 nan 0.000 0.509 147 F N 0.954 120.905 119.950 0.002 0.000 2.582 147 F HA 0.231 4.758 4.527 0.000 0.000 0.290 147 F C 2.158 177.956 175.800 -0.004 0.000 1.115 147 F CA 0.104 58.106 58.000 0.004 0.000 1.445 147 F CB -0.133 38.883 39.000 0.025 0.000 1.126 147 F HN 0.539 nan 8.300 nan 0.000 0.574 148 Q N 1.325 121.211 119.800 0.144 0.000 2.561 148 Q HA 0.001 4.341 4.340 0.000 0.000 0.217 148 Q C 1.386 177.418 176.000 0.053 0.000 0.980 148 Q CA 0.350 56.200 55.803 0.078 0.000 0.927 148 Q CB -0.238 28.513 28.738 0.021 0.000 0.980 148 Q HN 0.290 nan 8.270 nan 0.000 0.525 149 A N 0.354 123.191 122.820 0.029 0.000 1.947 149 A HA -0.248 4.072 4.320 0.000 0.000 0.260 149 A C 1.486 179.096 177.584 0.043 0.000 1.265 149 A CA 0.793 52.841 52.037 0.018 0.000 1.043 149 A CB -1.098 17.896 19.000 -0.011 0.000 0.993 149 A HN 0.595 nan 8.150 nan 0.000 0.386 150 A N -0.573 122.302 122.820 0.091 0.000 1.969 150 A HA 0.125 4.445 4.320 0.000 0.000 0.218 150 A C 1.944 179.595 177.584 0.112 0.000 1.169 150 A CA 1.941 54.077 52.037 0.166 0.000 0.635 150 A CB -0.930 18.173 19.000 0.170 0.000 0.810 150 A HN 1.003 nan 8.150 nan 0.000 0.445 151 D N -0.872 119.565 120.400 0.063 0.000 2.144 151 D HA -0.198 4.442 4.640 0.000 0.000 0.200 151 D C 2.089 178.409 176.300 0.032 0.000 0.978 151 D CA 1.436 55.462 54.000 0.044 0.000 0.833 151 D CB -0.599 40.219 40.800 0.029 0.000 0.961 151 D HN 0.676 nan 8.370 nan 0.000 0.470 152 Q N -0.473 119.340 119.800 0.021 0.000 2.124 152 Q HA -0.045 4.295 4.340 0.000 0.000 0.202 152 Q C 2.514 178.503 176.000 -0.018 0.000 0.977 152 Q CA 1.464 57.267 55.803 0.001 0.000 0.850 152 Q CB -0.202 28.530 28.738 -0.009 0.000 0.901 152 Q HN 0.508 nan 8.270 nan 0.000 0.429 153 A N 1.146 123.957 122.820 -0.014 0.000 1.898 153 A HA -0.198 4.122 4.320 0.000 0.000 0.216 153 A C 2.103 179.670 177.584 -0.028 0.000 1.181 153 A CA 1.409 53.399 52.037 -0.077 0.000 0.620 153 A CB -0.607 18.304 19.000 -0.148 0.000 0.819 153 A HN 0.419 nan 8.150 nan 0.000 0.442 154 R N -0.141 120.390 120.500 0.051 0.000 2.083 154 R HA -0.205 4.135 4.340 0.000 0.000 0.237 154 R C 2.232 178.538 176.300 0.010 0.000 1.137 154 R CA 1.923 58.049 56.100 0.043 0.000 0.951 154 R CB -0.356 29.977 30.300 0.054 0.000 0.851 154 R HN 0.711 nan 8.270 nan 0.000 0.434 155 E N 0.378 120.584 120.200 0.010 0.000 2.085 155 E HA -0.222 4.128 4.350 0.000 0.000 0.194 155 E C 2.064 178.671 176.600 0.012 0.000 0.994 155 E CA 1.434 57.842 56.400 0.014 0.000 0.801 155 E CB -0.092 29.616 29.700 0.013 0.000 0.743 155 E HN 0.423 nan 8.360 nan 0.000 0.453 156 L N 0.458 121.671 121.223 -0.017 0.000 2.046 156 L HA -0.188 4.152 4.340 0.000 0.000 0.208 156 L C 2.587 179.458 176.870 0.002 0.000 1.077 156 L CA 0.973 55.807 54.840 -0.009 0.000 0.747 156 L CB -0.387 41.637 42.059 -0.060 0.000 0.896 156 L HN 0.272 nan 8.230 nan 0.000 0.432 157 I N -0.064 120.431 120.570 -0.124 0.000 2.142 157 I HA -0.293 3.877 4.170 0.000 0.000 0.240 157 I C 2.222 178.415 176.117 0.128 0.000 1.078 157 I CA 1.170 62.389 61.300 -0.134 0.000 1.343 157 I CB -0.456 37.361 38.000 -0.304 0.000 1.046 157 I HN 0.311 nan 8.210 nan 0.000 0.405 158 N N 0.555 119.300 118.700 0.075 0.000 2.149 158 N HA -0.158 4.582 4.740 0.000 0.000 0.188 158 N C 2.004 177.574 175.510 0.101 0.000 1.019 158 N CA 1.492 54.594 53.050 0.087 0.000 0.857 158 N CB -0.375 38.144 38.487 0.053 0.000 0.997 158 N HN 0.211 nan 8.380 nan 0.000 0.426 159 S N -0.401 115.365 115.700 0.110 0.000 2.387 159 S HA -0.091 4.379 4.470 0.000 0.000 0.226 159 S C 1.555 176.249 174.600 0.156 0.000 1.026 159 S CA 0.513 58.779 58.200 0.109 0.000 0.972 159 S CB -0.183 63.080 63.200 0.104 0.000 0.814 159 S HN 0.557 nan 8.310 nan 0.000 0.477 160 W N 2.430 123.766 121.300 0.059 0.000 2.354 160 W HA -0.142 4.518 4.660 -0.000 0.000 0.315 160 W C 1.915 178.490 176.519 0.093 0.000 1.206 160 W CA 1.038 58.441 57.345 0.097 0.000 1.290 160 W CB -0.810 28.755 29.460 0.175 0.000 1.152 160 W HN -0.012 nan 8.180 nan 0.000 0.489 161 V N 1.042 121.014 119.914 0.097 0.000 2.332 161 V HA -0.357 3.763 4.120 0.000 0.000 0.248 161 V C 2.317 178.303 176.094 -0.179 0.000 1.055 161 V CA 2.518 64.724 62.300 -0.157 0.000 1.038 161 V CB -1.080 30.794 31.823 0.085 0.000 0.651 161 V HN 0.385 nan 8.190 nan 0.000 0.450 162 E N -0.385 119.773 120.200 -0.070 0.000 2.072 162 E HA -0.187 4.163 4.350 0.000 0.000 0.191 162 E C 2.398 178.944 176.600 -0.090 0.000 0.985 162 E CA 1.369 57.733 56.400 -0.061 0.000 0.801 162 E CB -0.106 29.583 29.700 -0.017 0.000 0.750 162 E HN 0.527 nan 8.360 nan 0.000 0.452 163 S N 0.259 115.902 115.700 -0.095 0.000 2.348 163 S HA -0.135 4.335 4.470 0.000 0.000 0.221 163 S C 1.850 176.349 174.600 -0.168 0.000 1.033 163 S CA 1.066 59.206 58.200 -0.101 0.000 1.010 163 S CB -0.100 63.070 63.200 -0.050 0.000 0.891 163 S HN 0.302 nan 8.310 nan 0.000 0.442 164 Q N 0.446 120.053 119.800 -0.321 0.000 2.364 164 Q HA -0.010 4.330 4.340 0.000 0.000 0.207 164 Q C 1.757 177.632 176.000 -0.209 0.000 0.970 164 Q CA 1.173 56.770 55.803 -0.344 0.000 0.888 164 Q CB -0.645 27.685 28.738 -0.679 0.000 0.951 164 Q HN 0.745 nan 8.270 nan 0.000 0.469 165 T N -3.013 111.437 114.554 -0.175 0.000 3.214 165 T HA 0.153 4.503 4.350 0.000 0.000 0.264 165 T C 0.294 174.933 174.700 -0.102 0.000 1.012 165 T CA -0.443 61.589 62.100 -0.113 0.000 0.901 165 T CB -0.068 68.740 68.868 -0.101 0.000 1.070 165 T HN 0.129 nan 8.240 nan 0.000 0.561 166 N N 1.459 120.104 118.700 -0.092 0.000 2.721 166 N HA -0.222 4.518 4.740 0.000 0.000 0.249 166 N C 1.075 176.537 175.510 -0.080 0.000 1.072 166 N CA 1.205 54.210 53.050 -0.075 0.000 0.710 166 N CB -1.532 36.915 38.487 -0.067 0.000 0.993 166 N HN 1.072 nan 8.380 nan 0.000 0.547 167 G N -1.086 107.665 108.800 -0.082 0.000 2.175 167 G HA2 -0.312 3.648 3.960 0.000 0.000 0.244 167 G HA3 -0.312 3.648 3.960 0.000 0.000 0.244 167 G C 0.973 175.817 174.900 -0.092 0.000 0.982 167 G CA 0.373 45.431 45.100 -0.070 0.000 0.641 167 G HN 0.446 nan 8.290 nan 0.000 0.527 168 I N 0.250 120.741 120.570 -0.130 0.000 2.339 168 I HA 0.246 4.416 4.170 0.000 0.000 0.245 168 I C 1.304 177.328 176.117 -0.154 0.000 1.096 168 I CA 0.871 62.048 61.300 -0.205 0.000 1.408 168 I CB 0.054 37.841 38.000 -0.356 0.000 1.092 168 I HN 0.144 nan 8.210 nan 0.000 0.423 169 I N 1.877 122.384 120.570 -0.104 0.000 2.307 169 I HA 0.225 4.395 4.170 0.000 0.000 0.289 169 I C -0.113 175.987 176.117 -0.028 0.000 1.021 169 I CA -0.161 61.111 61.300 -0.048 0.000 1.224 169 I CB 0.569 38.556 38.000 -0.021 0.000 1.376 169 I HN 0.077 nan 8.210 nan 0.000 0.470 170 R N 5.403 125.894 120.500 -0.015 0.000 2.664 170 R HA 0.440 4.780 4.340 0.000 0.000 0.286 170 R C -0.007 176.299 176.300 0.011 0.000 0.967 170 R CA -0.920 55.179 56.100 -0.003 0.000 0.933 170 R CB 0.987 31.282 30.300 -0.007 0.000 1.146 170 R HN 0.543 nan 8.270 nan 0.000 0.468 171 N N 0.161 118.873 118.700 0.020 0.000 2.735 171 N HA -0.173 4.567 4.740 0.000 0.000 0.248 171 N C 0.718 176.245 175.510 0.029 0.000 1.083 171 N CA 0.735 53.799 53.050 0.023 0.000 0.703 171 N CB -1.174 37.322 38.487 0.015 0.000 1.005 171 N HN 0.459 nan 8.380 nan 0.000 0.550 172 V N -0.098 119.841 119.914 0.041 0.000 2.332 172 V HA -0.099 4.021 4.120 0.000 0.000 0.248 172 V C 1.126 177.252 176.094 0.054 0.000 1.055 172 V CA 1.612 63.943 62.300 0.052 0.000 1.038 172 V CB 0.093 31.960 31.823 0.074 0.000 0.651 172 V HN 0.361 nan 8.190 nan 0.000 0.450 173 L N 2.765 124.021 121.223 0.055 0.000 2.276 173 L HA 0.347 4.687 4.340 0.000 0.000 0.286 173 L C -0.088 176.800 176.870 0.030 0.000 1.061 173 L CA -0.509 54.357 54.840 0.044 0.000 0.807 173 L CB 1.232 43.320 42.059 0.048 0.000 1.177 173 L HN 0.356 nan 8.230 nan 0.000 0.429 174 Q N 2.959 122.772 119.800 0.022 0.000 2.327 174 Q HA 0.359 4.699 4.340 0.000 0.000 0.254 174 Q C -2.571 173.437 176.000 0.013 0.000 0.952 174 Q CA -2.435 53.377 55.803 0.015 0.000 0.884 174 Q CB 0.054 28.799 28.738 0.011 0.000 1.224 174 Q HN 0.273 nan 8.270 nan 0.000 0.422 175 P HA -0.089 nan 4.420 nan 0.000 0.263 175 P C -0.040 177.265 177.300 0.008 0.000 1.168 175 P CA 0.737 63.844 63.100 0.012 0.000 0.759 175 P CB 0.322 32.029 31.700 0.011 0.000 0.782 176 S N 0.552 116.256 115.700 0.008 0.000 3.358 176 S HA -0.190 4.280 4.470 0.000 0.000 0.309 176 S C 1.355 175.951 174.600 -0.007 0.000 1.247 176 S CA 1.243 59.444 58.200 0.002 0.000 0.961 176 S CB -1.799 61.402 63.200 0.001 0.000 1.074 176 S HN 0.730 nan 8.310 nan 0.000 0.625 177 S N -1.363 114.333 115.700 -0.007 0.000 2.522 177 S HA 0.310 4.781 4.470 0.000 0.000 0.227 177 S C 0.551 175.122 174.600 -0.047 0.000 0.986 177 S CA 0.317 58.505 58.200 -0.020 0.000 0.929 177 S CB 0.358 63.552 63.200 -0.009 0.000 0.769 177 S HN 0.370 nan 8.310 nan 0.000 0.529 178 V N 1.771 121.661 119.914 -0.040 0.000 2.656 178 V HA 0.278 4.398 4.120 0.000 0.000 0.307 178 V C 0.598 176.669 176.094 -0.038 0.000 1.051 178 V CA -0.532 61.713 62.300 -0.091 0.000 0.893 178 V CB 1.708 33.512 31.823 -0.031 0.000 0.999 178 V HN 0.311 nan 8.190 nan 0.000 0.426 179 Q N 1.035 120.848 119.800 0.021 0.000 2.155 179 Q HA -0.252 4.088 4.340 0.000 0.000 0.204 179 Q C 0.828 176.826 176.000 -0.002 0.000 0.799 179 Q CA 1.757 57.573 55.803 0.022 0.000 1.413 179 Q CB -2.479 26.267 28.738 0.014 0.000 2.013 179 Q HN 0.992 nan 8.270 nan 0.000 0.583 180 T N -0.218 114.288 114.554 -0.081 0.000 2.871 180 T HA 0.342 4.692 4.350 0.000 0.000 0.296 180 T C 1.366 176.011 174.700 -0.092 0.000 0.998 180 T CA 0.338 62.286 62.100 -0.254 0.000 1.162 180 T CB 1.146 69.548 68.868 -0.777 0.000 0.947 180 T HN 0.552 nan 8.240 nan 0.000 0.536 181 A N 3.800 126.616 122.820 -0.006 0.000 1.909 181 A HA 0.553 4.873 4.320 0.000 0.000 0.209 181 A C 0.726 178.457 177.584 0.244 0.000 1.247 181 A CA 0.187 52.359 52.037 0.225 0.000 0.660 181 A CB 0.233 19.314 19.000 0.136 0.000 0.910 181 A HN 0.767 nan 8.150 nan 0.000 0.465 182 M N -0.184 119.471 119.600 0.092 0.000 2.365 182 M HA 0.542 5.022 4.480 0.000 0.000 0.287 182 M C -2.435 173.930 176.300 0.109 0.000 1.154 182 M CA -0.405 55.001 55.300 0.178 0.000 0.941 182 M CB 2.188 34.867 32.600 0.131 0.000 1.704 182 M HN -0.063 nan 8.290 nan 0.000 0.479 183 V N 4.626 124.668 119.914 0.214 0.000 2.495 183 V HA 0.575 4.695 4.120 0.000 0.000 0.298 183 V C -1.122 175.124 176.094 0.254 0.000 1.031 183 V CA -0.790 61.627 62.300 0.195 0.000 0.871 183 V CB 1.814 33.752 31.823 0.192 0.000 0.988 183 V HN 0.760 nan 8.190 nan 0.000 0.432 184 L N 7.814 129.163 121.223 0.211 0.000 2.287 184 L HA 0.765 5.105 4.340 0.000 0.000 0.287 184 L C -0.349 176.663 176.870 0.237 0.000 1.022 184 L CA -0.165 54.803 54.840 0.213 0.000 0.814 184 L CB 1.525 43.698 42.059 0.189 0.000 1.217 184 L HN 0.534 nan 8.230 nan 0.000 0.420 185 V N 2.626 122.710 119.914 0.282 0.000 2.555 185 V HA 0.679 4.799 4.120 0.000 0.000 0.302 185 V C -0.634 175.640 176.094 0.299 0.000 1.038 185 V CA -0.673 61.809 62.300 0.302 0.000 0.887 185 V CB 1.629 33.681 31.823 0.381 0.000 0.991 185 V HN 0.928 nan 8.190 nan 0.000 0.434 186 N N 2.699 121.560 118.700 0.268 0.000 2.571 186 N HA 0.660 5.400 4.740 0.000 0.000 0.286 186 N C -1.107 174.523 175.510 0.201 0.000 1.138 186 N CA 0.112 53.327 53.050 0.274 0.000 0.859 186 N CB 2.114 40.793 38.487 0.321 0.000 1.414 186 N HN 1.236 nan 8.380 nan 0.000 0.529 187 A N 3.760 126.671 122.820 0.152 0.000 2.435 187 A HA 0.758 5.078 4.320 0.000 0.000 0.304 187 A C -1.425 176.223 177.584 0.106 0.000 1.064 187 A CA -0.650 51.422 52.037 0.058 0.000 0.727 187 A CB 1.661 20.690 19.000 0.049 0.000 1.284 187 A HN 0.525 nan 8.150 nan 0.000 0.415 188 I N 1.892 122.540 120.570 0.130 0.000 2.752 188 I HA 0.611 4.781 4.170 0.000 0.000 0.295 188 I C -1.686 174.621 176.117 0.317 0.000 1.219 188 I CA -0.585 60.876 61.300 0.269 0.000 1.030 188 I CB 2.075 40.279 38.000 0.339 0.000 1.259 188 I HN 0.418 nan 8.210 nan 0.000 0.423 189 V N 7.519 127.623 119.914 0.318 0.000 2.656 189 V HA 0.502 4.622 4.120 0.000 0.000 0.307 189 V C -0.914 175.356 176.094 0.293 0.000 1.051 189 V CA -0.644 61.826 62.300 0.283 0.000 0.893 189 V CB 2.002 33.894 31.823 0.115 0.000 0.999 189 V HN 0.570 nan 8.190 nan 0.000 0.426 190 F N 4.661 124.614 119.950 0.005 0.000 2.540 190 F HA 0.863 5.390 4.527 0.000 0.000 0.317 190 F C -0.562 175.073 175.800 -0.275 0.000 1.104 190 F CA -0.817 56.983 58.000 -0.332 0.000 0.913 190 F CB 1.858 40.503 39.000 -0.592 0.000 1.170 190 F HN 0.439 nan 8.300 nan 0.000 0.450 191 K N 3.332 123.037 120.400 -1.159 0.000 2.501 191 K HA 0.754 5.075 4.320 0.000 0.000 0.252 191 K C -1.224 174.581 176.600 -1.325 0.000 0.934 191 K CA -0.533 55.109 56.287 -1.075 0.000 0.797 191 K CB 2.054 34.276 32.500 -0.464 0.000 1.270 191 K HN 0.914 nan 8.250 nan 0.000 0.431 192 G N 3.281 111.397 108.800 -1.140 0.000 2.620 192 G HA2 0.519 4.479 3.960 0.000 0.000 0.301 192 G HA3 0.519 4.479 3.960 0.000 0.000 0.301 192 G C -1.375 173.406 174.900 -0.199 0.000 1.347 192 G CA -0.768 43.960 45.100 -0.621 0.000 0.971 192 G HN 0.477 nan 8.290 nan 0.000 0.488 193 L N 1.099 122.335 121.223 0.021 0.000 2.326 193 L HA 0.346 4.686 4.340 0.000 0.000 0.278 193 L C 0.051 177.034 176.870 0.187 0.000 1.092 193 L CA -0.652 54.221 54.840 0.056 0.000 0.810 193 L CB 1.052 43.175 42.059 0.108 0.000 1.153 193 L HN 0.611 nan 8.230 nan 0.000 0.439 194 W N 2.134 123.539 121.300 0.176 0.000 2.112 194 W HA 0.014 4.674 4.660 0.000 0.000 0.349 194 W C 1.528 178.087 176.519 0.066 0.000 1.289 194 W CA -0.224 57.138 57.345 0.027 0.000 1.256 194 W CB 0.555 30.010 29.460 -0.007 0.000 1.148 194 W HN 0.603 nan 8.180 nan 0.000 0.590 195 E N 0.783 121.188 120.200 0.340 0.000 2.072 195 E HA -0.136 4.214 4.350 0.000 0.000 0.191 195 E C -0.107 176.577 176.600 0.140 0.000 0.985 195 E CA 1.037 57.560 56.400 0.205 0.000 0.801 195 E CB 0.132 29.926 29.700 0.158 0.000 0.750 195 E HN 0.292 nan 8.360 nan 0.000 0.452 196 K N 0.661 121.132 120.400 0.118 0.000 2.339 196 K HA 0.429 4.749 4.320 0.000 0.000 0.264 196 K C -0.902 175.658 176.600 -0.066 0.000 0.986 196 K CA -0.525 55.755 56.287 -0.012 0.000 0.866 196 K CB 1.956 34.399 32.500 -0.095 0.000 1.103 196 K HN 0.059 nan 8.250 nan 0.000 0.441 197 A N 3.305 126.122 122.820 -0.004 0.000 2.407 197 A HA 0.369 4.689 4.320 0.000 0.000 0.248 197 A C -0.655 176.865 177.584 -0.107 0.000 1.082 197 A CA -0.192 51.887 52.037 0.070 0.000 0.785 197 A CB -0.012 19.053 19.000 0.108 0.000 1.020 197 A HN 0.583 nan 8.150 nan 0.000 0.489 198 F N 0.984 120.925 119.950 -0.013 0.000 2.384 198 F HA 0.346 4.874 4.527 0.000 0.000 0.338 198 F C 0.855 176.652 175.800 -0.005 0.000 1.103 198 F CA 0.113 58.079 58.000 -0.057 0.000 1.157 198 F CB 1.376 40.335 39.000 -0.068 0.000 1.167 198 F HN 0.455 nan 8.300 nan 0.000 0.529 199 K N 2.284 122.780 120.400 0.159 0.000 2.205 199 K HA 0.120 4.440 4.320 0.000 0.000 0.279 199 K C 0.236 176.910 176.600 0.124 0.000 1.027 199 K CA -0.604 55.749 56.287 0.110 0.000 0.932 199 K CB 0.966 33.507 32.500 0.068 0.000 1.032 199 K HN 0.508 nan 8.250 nan 0.000 0.466 200 D N 1.996 122.452 120.400 0.094 0.000 2.123 200 D HA -0.175 4.465 4.640 0.000 0.000 0.196 200 D C 1.298 177.637 176.300 0.066 0.000 0.992 200 D CA 1.379 55.422 54.000 0.073 0.000 0.833 200 D CB 0.251 41.082 40.800 0.051 0.000 0.954 200 D HN 0.508 nan 8.370 nan 0.000 0.455 201 E N 0.733 120.970 120.200 0.062 0.000 2.265 201 E HA -0.125 4.225 4.350 0.000 0.000 0.196 201 E C 1.352 177.995 176.600 0.072 0.000 0.996 201 E CA 0.543 56.976 56.400 0.055 0.000 0.832 201 E CB -0.150 29.578 29.700 0.048 0.000 0.756 201 E HN 0.344 nan 8.360 nan 0.000 0.491 202 D N 0.052 120.515 120.400 0.105 0.000 2.317 202 D HA -0.030 4.610 4.640 0.000 0.000 0.211 202 D C 0.053 176.434 176.300 0.134 0.000 0.966 202 D CA 0.411 54.502 54.000 0.151 0.000 0.876 202 D CB 0.181 41.127 40.800 0.243 0.000 0.927 202 D HN 0.038 nan 8.370 nan 0.000 0.519 203 T N 1.766 116.380 114.554 0.099 0.000 2.870 203 T HA 0.251 4.601 4.350 0.000 0.000 0.300 203 T C 0.342 175.074 174.700 0.054 0.000 0.989 203 T CA -0.120 62.022 62.100 0.070 0.000 1.139 203 T CB 1.066 69.955 68.868 0.034 0.000 0.920 203 T HN 0.173 nan 8.240 nan 0.000 0.537 204 Q N 1.037 120.871 119.800 0.057 0.000 2.462 204 Q HA 0.735 5.075 4.340 0.000 0.000 0.285 204 Q C -1.509 174.519 176.000 0.047 0.000 1.035 204 Q CA -1.421 54.409 55.803 0.045 0.000 0.799 204 Q CB 1.715 30.477 28.738 0.040 0.000 1.452 204 Q HN 0.595 nan 8.270 nan 0.000 0.404 205 A N 2.248 125.089 122.820 0.034 0.000 2.363 205 A HA 0.679 4.999 4.320 0.000 0.000 0.270 205 A C -0.539 177.071 177.584 0.043 0.000 1.121 205 A CA -0.122 51.936 52.037 0.034 0.000 0.800 205 A CB 0.298 19.312 19.000 0.024 0.000 1.052 205 A HN 0.737 nan 8.150 nan 0.000 0.493 206 M N 2.660 122.295 119.600 0.058 0.000 2.569 206 M HA 0.394 4.874 4.480 0.000 0.000 0.279 206 M C -2.726 173.620 176.300 0.076 0.000 1.253 206 M CA -1.806 53.526 55.300 0.053 0.000 0.867 206 M CB 3.167 35.804 32.600 0.061 0.000 1.727 206 M HN 0.407 nan 8.290 nan 0.000 0.467 207 P HA 0.190 nan 4.420 nan 0.000 0.276 207 P C -1.438 175.940 177.300 0.129 0.000 1.235 207 P CA 0.072 63.219 63.100 0.077 0.000 0.772 207 P CB 0.182 31.898 31.700 0.027 0.000 0.871 208 F N 4.103 124.066 119.950 0.023 0.000 2.411 208 F HA 0.365 4.892 4.527 0.000 0.000 0.352 208 F C 0.699 176.527 175.800 0.047 0.000 1.123 208 F CA -0.882 57.146 58.000 0.047 0.000 1.044 208 F CB 1.256 40.286 39.000 0.050 0.000 1.135 208 F HN 0.117 nan 8.300 nan 0.000 0.461 209 R N 6.544 126.851 120.500 -0.321 0.000 2.419 209 R HA 0.161 4.501 4.340 0.000 0.000 0.305 209 R C 1.190 177.405 176.300 -0.142 0.000 1.242 209 R CA 0.013 56.009 56.100 -0.172 0.000 1.105 209 R CB 0.505 30.693 30.300 -0.186 0.000 1.116 209 R HN 0.780 nan 8.270 nan 0.000 0.523 210 V N 0.025 119.986 119.914 0.079 0.000 2.295 210 V HA -0.163 3.957 4.120 0.000 0.000 0.246 210 V C 1.189 177.328 176.094 0.076 0.000 1.049 210 V CA 1.862 64.258 62.300 0.160 0.000 1.024 210 V CB -0.652 31.292 31.823 0.201 0.000 0.648 210 V HN 0.713 nan 8.190 nan 0.000 0.447 211 T N -4.005 110.573 114.554 0.039 0.000 2.645 211 T HA 0.694 5.044 4.350 0.000 0.000 0.273 211 T C 1.118 175.809 174.700 -0.016 0.000 0.960 211 T CA 0.396 62.506 62.100 0.017 0.000 1.051 211 T CB 1.241 70.125 68.868 0.026 0.000 1.366 211 T HN 0.515 nan 8.240 nan 0.000 0.536 212 E N -0.751 119.437 120.200 -0.019 0.000 2.204 212 E HA 0.094 4.444 4.350 0.000 0.000 0.194 212 E C 2.199 178.783 176.600 -0.028 0.000 0.989 212 E CA 2.021 58.399 56.400 -0.036 0.000 0.824 212 E CB -1.433 nan 29.700 nan 0.000 0.756 212 E HN 0.941 nan 8.360 nan 0.000 0.477 213 Q N -0.599 119.195 119.800 -0.011 0.000 2.350 213 Q HA 0.368 4.708 4.340 0.000 0.000 0.225 213 Q C 1.081 177.082 176.000 0.002 0.000 0.878 213 Q CA 0.726 56.526 55.803 -0.006 0.000 0.935 213 Q CB 0.444 nan 28.738 nan 0.000 1.099 213 Q HN 0.446 nan 8.270 nan 0.000 0.527 214 E N -0.611 119.596 120.200 0.011 0.000 2.256 214 E HA 0.719 5.069 4.350 0.000 0.000 0.267 214 E C -1.460 175.162 176.600 0.035 0.000 0.892 214 E CA -0.157 56.259 56.400 0.026 0.000 0.775 214 E CB 2.010 31.733 29.700 0.039 0.000 1.207 214 E HN 0.512 nan 8.360 nan 0.000 0.420 215 S N 1.941 117.669 115.700 0.046 0.000 2.546 215 S HA 0.566 5.036 4.470 0.000 0.000 0.274 215 S C -1.303 173.349 174.600 0.086 0.000 1.121 215 S CA -0.901 57.339 58.200 0.067 0.000 0.887 215 S CB 1.629 64.850 63.200 0.035 0.000 1.094 215 S HN 0.574 nan 8.310 nan 0.000 0.474 216 K N 2.193 122.672 120.400 0.132 0.000 2.371 216 K HA 0.561 4.881 4.320 0.000 0.000 0.251 216 K C -3.092 173.574 176.600 0.110 0.000 0.934 216 K CA -2.273 54.074 56.287 0.101 0.000 0.798 216 K CB 1.810 34.370 32.500 0.099 0.000 1.204 216 K HN 0.238 nan 8.250 nan 0.000 0.427 217 P HA 0.021 nan 4.420 nan 0.000 0.271 217 P C -0.405 176.927 177.300 0.053 0.000 1.216 217 P CA -0.344 62.794 63.100 0.063 0.000 0.771 217 P CB 1.007 32.729 31.700 0.037 0.000 0.864 218 V N 0.335 120.287 119.914 0.064 0.000 3.155 218 V HA 0.489 4.609 4.120 0.000 0.000 0.313 218 V C -0.431 175.676 176.094 0.023 0.000 1.162 218 V CA -1.025 61.283 62.300 0.013 0.000 1.048 218 V CB 1.953 33.756 31.823 -0.032 0.000 1.092 218 V HN 0.241 nan 8.190 nan 0.000 0.447 219 Q N 1.978 121.775 119.800 -0.006 0.000 2.361 219 Q HA 0.421 4.761 4.340 0.000 0.000 0.250 219 Q C -0.726 175.275 176.000 0.002 0.000 1.023 219 Q CA -0.072 55.730 55.803 -0.001 0.000 0.915 219 Q CB 1.111 29.836 28.738 -0.022 0.000 1.238 219 Q HN 0.826 nan 8.270 nan 0.000 0.451 220 M N 3.973 123.601 119.600 0.047 0.000 2.080 220 M HA 0.304 4.784 4.480 0.000 0.000 0.350 220 M C -0.735 175.597 176.300 0.052 0.000 1.173 220 M CA 0.122 55.474 55.300 0.087 0.000 1.052 220 M CB 0.614 33.324 32.600 0.184 0.000 1.577 220 M HN 0.484 nan 8.290 nan 0.000 0.455 221 M N 4.116 123.665 119.600 -0.085 0.000 2.228 221 M HA 0.306 4.786 4.480 0.000 0.000 0.326 221 M C -1.073 175.253 176.300 0.043 0.000 1.122 221 M CA -0.219 54.977 55.300 -0.173 0.000 1.161 221 M CB 0.759 32.898 32.600 -0.768 0.000 1.437 221 M HN 0.695 nan 8.290 nan 0.000 0.465 222 Y N 1.604 121.952 120.300 0.080 0.000 2.470 222 Y HA 0.476 5.026 4.550 0.000 0.000 0.341 222 Y C -1.313 174.636 175.900 0.082 0.000 1.021 222 Y CA -0.635 57.434 58.100 -0.051 0.000 1.025 222 Y CB 1.557 39.831 38.460 -0.310 0.000 1.266 222 Y HN 0.759 nan 8.280 nan 0.000 0.448 223 Q N 4.770 124.081 119.800 -0.816 0.000 2.590 223 Q HA 0.665 5.005 4.340 0.000 0.000 0.295 223 Q C -2.139 173.356 176.000 -0.840 0.000 0.973 223 Q CA -1.106 54.200 55.803 -0.829 0.000 0.768 223 Q CB 2.565 30.900 28.738 -0.672 0.000 1.479 223 Q HN 0.702 nan 8.270 nan 0.000 0.419 224 I N 0.773 121.013 120.570 -0.549 0.000 2.378 224 I HA 0.819 4.989 4.170 0.000 0.000 0.291 224 I C 0.059 176.027 176.117 -0.247 0.000 0.992 224 I CA -0.537 60.577 61.300 -0.310 0.000 1.154 224 I CB 1.894 39.770 38.000 -0.206 0.000 1.315 224 I HN 0.813 nan 8.210 nan 0.000 0.448 225 G N 4.914 113.587 108.800 -0.211 0.000 2.682 225 G HA2 0.577 4.537 3.960 0.000 0.000 0.290 225 G HA3 0.577 4.537 3.960 0.000 0.000 0.290 225 G C -2.072 172.474 174.900 -0.589 0.000 1.425 225 G CA -0.755 44.041 45.100 -0.506 0.000 0.807 225 G HN 0.408 nan 8.290 nan 0.000 0.482 226 L N 0.583 121.331 121.223 -0.792 0.000 2.255 226 L HA 0.801 5.141 4.340 0.000 0.000 0.289 226 L C -1.499 174.896 176.870 -0.791 0.000 1.046 226 L CA -0.463 54.047 54.840 -0.550 0.000 0.816 226 L CB -0.129 41.717 42.059 -0.354 0.000 1.197 226 L HN 0.293 nan 8.230 nan 0.000 0.427 227 F N 3.017 122.888 119.950 -0.132 0.000 2.588 227 F HA 0.548 5.075 4.527 0.000 0.000 0.314 227 F C 0.284 176.022 175.800 -0.104 0.000 1.069 227 F CA -0.937 56.977 58.000 -0.143 0.000 0.931 227 F CB 1.398 40.271 39.000 -0.211 0.000 1.260 227 F HN 0.228 nan 8.300 nan 0.000 0.465 228 R N 1.626 122.194 120.500 0.114 0.000 2.446 228 R HA 0.390 4.730 4.340 0.000 0.000 0.314 228 R C -0.756 175.557 176.300 0.023 0.000 1.003 228 R CA 0.055 56.188 56.100 0.056 0.000 1.018 228 R CB 0.579 30.910 30.300 0.051 0.000 0.945 228 R HN 0.481 nan 8.270 nan 0.000 0.419 229 V N 1.497 121.424 119.914 0.021 0.000 3.130 229 V HA 0.842 4.962 4.120 0.000 0.000 0.310 229 V C -1.536 174.577 176.094 0.032 0.000 1.158 229 V CA -0.573 61.731 62.300 0.006 0.000 1.029 229 V CB 2.372 34.205 31.823 0.017 0.000 1.057 229 V HN 0.838 nan 8.190 nan 0.000 0.436 230 A N 2.598 125.442 122.820 0.040 0.000 2.465 230 A HA 0.781 5.101 4.320 0.000 0.000 0.292 230 A C -0.936 176.665 177.584 0.027 0.000 1.041 230 A CA -0.048 52.009 52.037 0.035 0.000 0.718 230 A CB 1.838 20.861 19.000 0.039 0.000 1.266 230 A HN 1.194 nan 8.150 nan 0.000 0.403 231 S N 2.902 118.614 115.700 0.019 0.000 2.478 231 S HA 0.767 5.237 4.470 0.000 0.000 0.312 231 S C -0.541 174.047 174.600 -0.020 0.000 1.094 231 S CA -0.511 57.693 58.200 0.006 0.000 1.081 231 S CB 0.188 63.404 63.200 0.027 0.000 1.007 231 S HN 0.579 nan 8.310 nan 0.000 0.475 232 M N 4.707 124.275 119.600 -0.055 0.000 2.093 232 M HA 0.421 4.901 4.480 0.000 0.000 0.297 232 M C 0.824 177.097 176.300 -0.045 0.000 0.938 232 M CA -0.872 54.390 55.300 -0.062 0.000 0.920 232 M CB 1.666 34.184 32.600 -0.137 0.000 1.517 232 M HN 0.681 nan 8.290 nan 0.000 0.427 233 A N 2.049 124.859 122.820 -0.017 0.000 1.873 233 A HA -0.111 4.209 4.320 0.000 0.000 0.215 233 A C 2.190 179.771 177.584 -0.005 0.000 1.186 233 A CA 2.404 54.436 52.037 -0.009 0.000 0.616 233 A CB -0.564 18.437 19.000 0.001 0.000 0.823 233 A HN 0.888 nan 8.150 nan 0.000 0.442 234 S N -0.080 115.624 115.700 0.007 0.000 2.371 234 S HA -0.096 4.375 4.470 0.000 0.000 0.224 234 S C 1.442 176.055 174.600 0.022 0.000 1.029 234 S CA 1.133 59.347 58.200 0.022 0.000 0.978 234 S CB -0.397 62.829 63.200 0.043 0.000 0.833 234 S HN 0.565 nan 8.310 nan 0.000 0.466 235 E N 1.669 121.873 120.200 0.008 0.000 2.427 235 E HA 0.036 4.386 4.350 0.000 0.000 0.196 235 E C -0.122 176.451 176.600 -0.044 0.000 1.028 235 E CA 0.164 56.555 56.400 -0.014 0.000 0.864 235 E CB -0.383 29.264 29.700 -0.089 0.000 0.813 235 E HN 0.582 nan 8.360 nan 0.000 0.514 236 K N 0.556 120.930 120.400 -0.043 0.000 3.278 236 K HA -0.212 4.108 4.320 0.000 0.000 0.270 236 K C 0.252 176.816 176.600 -0.060 0.000 0.955 236 K CA 0.862 57.125 56.287 -0.041 0.000 0.723 236 K CB -1.939 30.548 32.500 -0.021 0.000 1.382 236 K HN 0.368 nan 8.250 nan 0.000 0.461 237 M N -2.200 117.339 119.600 -0.102 0.000 2.683 237 M HA 0.555 5.035 4.480 0.000 0.000 0.274 237 M C -1.617 174.618 176.300 -0.109 0.000 1.272 237 M CA -1.020 54.209 55.300 -0.120 0.000 0.833 237 M CB 2.272 34.754 32.600 -0.197 0.000 1.708 237 M HN -0.055 nan 8.290 nan 0.000 0.463 238 K N 1.060 121.427 120.400 -0.055 0.000 2.371 238 K HA 0.761 5.081 4.320 0.000 0.000 0.251 238 K C -1.786 174.933 176.600 0.198 0.000 0.934 238 K CA -0.570 55.759 56.287 0.070 0.000 0.798 238 K CB 2.758 35.342 32.500 0.140 0.000 1.204 238 K HN 0.592 nan 8.250 nan 0.000 0.427 239 I N 2.506 123.165 120.570 0.149 0.000 2.474 239 I HA 0.341 4.511 4.170 0.000 0.000 0.294 239 I C -1.159 174.930 176.117 -0.048 0.000 1.005 239 I CA -0.800 60.564 61.300 0.107 0.000 1.113 239 I CB 1.631 39.659 38.000 0.047 0.000 1.289 239 I HN 0.369 nan 8.210 nan 0.000 0.436 240 L N 5.802 126.821 121.223 -0.341 0.000 2.341 240 L HA 0.564 4.904 4.340 0.000 0.000 0.278 240 L C -0.531 176.132 176.870 -0.344 0.000 1.005 240 L CA -0.113 54.357 54.840 -0.616 0.000 0.818 240 L CB 1.612 42.725 42.059 -1.577 0.000 1.259 240 L HN 0.653 nan 8.230 nan 0.000 0.418 241 E N 4.728 124.795 120.200 -0.222 0.000 2.151 241 E HA 0.502 4.852 4.350 0.000 0.000 0.275 241 E C -1.652 174.835 176.600 -0.188 0.000 0.936 241 E CA -0.566 55.770 56.400 -0.107 0.000 0.777 241 E CB 1.010 30.721 29.700 0.017 0.000 1.108 241 E HN 0.667 nan 8.360 nan 0.000 0.401 242 L N 7.200 128.297 121.223 -0.209 0.000 2.316 242 L HA 0.468 4.808 4.340 0.000 0.000 0.280 242 L C -2.230 174.645 176.870 0.008 0.000 1.006 242 L CA -2.217 52.456 54.840 -0.279 0.000 0.836 242 L CB 1.406 43.053 42.059 -0.687 0.000 1.221 242 L HN 0.423 nan 8.230 nan 0.000 0.418 243 P HA 0.229 nan 4.420 nan 0.000 0.279 243 P C -0.382 177.040 177.300 0.202 0.000 1.239 243 P CA -0.188 63.025 63.100 0.188 0.000 0.789 243 P CB 1.055 32.865 31.700 0.184 0.000 0.933 244 F N 0.992 121.139 119.950 0.329 0.000 2.451 244 F HA -0.012 4.515 4.527 0.000 0.000 0.174 244 F C 2.374 178.320 175.800 0.243 0.000 0.806 244 F CA 1.443 59.612 58.000 0.281 0.000 0.999 244 F CB -1.380 37.745 39.000 0.208 0.000 2.275 244 F HN 0.413 nan 8.300 nan 0.000 0.714 245 S N -0.077 115.839 115.700 0.360 0.000 2.434 245 S HA -0.350 4.120 4.470 0.000 0.000 0.303 245 S C 1.558 176.297 174.600 0.232 0.000 1.373 245 S CA 1.505 59.892 58.200 0.312 0.000 1.298 245 S CB -2.474 61.024 63.200 0.497 0.000 1.581 245 S HN 2.028 nan 8.310 nan 0.000 0.788 246 G N 0.018 108.952 108.800 0.224 0.000 2.168 246 G HA2 -0.292 3.668 3.960 0.000 0.000 0.257 246 G HA3 -0.292 3.668 3.960 0.000 0.000 0.257 246 G C 0.659 175.640 174.900 0.136 0.000 0.997 246 G CA 1.248 46.446 45.100 0.163 0.000 0.708 246 G HN 1.971 nan 8.290 nan 0.000 0.520 247 T N -3.403 111.251 114.554 0.167 0.000 3.003 247 T HA 0.685 5.035 4.350 0.000 0.000 0.261 247 T C 0.661 175.385 174.700 0.040 0.000 1.003 247 T CA 0.688 62.829 62.100 0.069 0.000 0.917 247 T CB 0.397 69.342 68.868 0.129 0.000 1.084 247 T HN 0.415 nan 8.240 nan 0.000 0.522 248 M N 1.382 121.087 119.600 0.175 0.000 2.575 248 M HA 0.622 5.102 4.480 0.000 0.000 0.284 248 M C -1.290 175.255 176.300 0.408 0.000 1.253 248 M CA -0.751 54.686 55.300 0.229 0.000 0.861 248 M CB 2.858 35.546 32.600 0.147 0.000 1.733 248 M HN 0.202 nan 8.290 nan 0.000 0.462 249 S N 1.009 116.953 115.700 0.407 0.000 2.579 249 S HA 0.792 5.262 4.470 0.000 0.000 0.272 249 S C -1.199 173.669 174.600 0.446 0.000 1.141 249 S CA -1.000 57.448 58.200 0.412 0.000 0.843 249 S CB 2.091 65.434 63.200 0.239 0.000 1.122 249 S HN 0.858 nan 8.310 nan 0.000 0.468 250 M N 2.475 122.305 119.600 0.384 0.000 2.238 250 M HA 0.535 5.015 4.480 0.000 0.000 0.350 250 M C -1.843 174.585 176.300 0.215 0.000 1.138 250 M CA -0.798 54.731 55.300 0.382 0.000 1.040 250 M CB 0.732 33.603 32.600 0.451 0.000 1.639 250 M HN 0.732 nan 8.290 nan 0.000 0.451 251 L N 5.636 127.007 121.223 0.246 0.000 2.282 251 L HA 0.559 4.899 4.340 0.000 0.000 0.288 251 L C -0.989 176.006 176.870 0.209 0.000 1.033 251 L CA -0.965 53.980 54.840 0.176 0.000 0.807 251 L CB 1.632 43.834 42.059 0.239 0.000 1.209 251 L HN 0.444 nan 8.230 nan 0.000 0.423 252 V N 4.971 124.941 119.914 0.093 0.000 2.384 252 V HA 0.377 4.498 4.120 0.000 0.000 0.287 252 V C -0.190 176.057 176.094 0.255 0.000 1.020 252 V CA -0.499 61.903 62.300 0.170 0.000 0.850 252 V CB 1.776 33.572 31.823 -0.045 0.000 0.987 252 V HN 0.446 nan 8.190 nan 0.000 0.436 253 L N 6.080 127.495 121.223 0.321 0.000 2.294 253 L HA 0.563 4.903 4.340 0.000 0.000 0.283 253 L C -0.605 176.400 176.870 0.225 0.000 1.015 253 L CA -0.102 54.880 54.840 0.237 0.000 0.831 253 L CB 1.481 43.678 42.059 0.229 0.000 1.217 253 L HN 0.550 nan 8.230 nan 0.000 0.420 254 L N 7.324 128.625 121.223 0.131 0.000 2.316 254 L HA 0.693 5.033 4.340 0.000 0.000 0.280 254 L C -2.235 174.612 176.870 -0.037 0.000 1.006 254 L CA -1.626 53.199 54.840 -0.025 0.000 0.836 254 L CB 1.209 43.036 42.059 -0.386 0.000 1.221 254 L HN 0.254 nan 8.230 nan 0.000 0.418 255 P HA -0.004 nan 4.420 nan 0.000 0.327 255 P C -0.438 176.937 177.300 0.125 0.000 1.414 255 P CA -0.222 62.918 63.100 0.067 0.000 0.823 255 P CB -0.035 31.733 31.700 0.113 0.000 1.899 256 E N -1.573 118.598 120.200 -0.048 0.000 2.916 256 E HA -0.116 4.234 4.350 0.000 0.000 0.293 256 E C 1.746 178.268 176.600 -0.129 0.000 0.992 256 E CA 0.508 56.815 56.400 -0.155 0.000 1.002 256 E CB -1.068 28.579 29.700 -0.089 0.000 1.046 256 E HN 0.215 nan 8.360 nan 0.000 0.471 257 V N 1.450 121.212 119.914 -0.253 0.000 2.278 257 V HA -0.321 3.799 4.120 0.000 0.000 0.251 257 V C 2.523 178.625 176.094 0.014 0.000 1.062 257 V CA 2.665 64.910 62.300 -0.092 0.000 1.038 257 V CB -0.961 30.783 31.823 -0.132 0.000 0.646 257 V HN 0.987 nan 8.190 nan 0.000 0.447 258 S N 0.281 115.975 115.700 -0.011 0.000 2.607 258 S HA 0.052 4.522 4.470 0.000 0.000 0.224 258 S C 1.716 176.338 174.600 0.037 0.000 0.969 258 S CA 0.797 59.006 58.200 0.014 0.000 0.927 258 S CB -0.059 63.140 63.200 -0.003 0.000 0.772 258 S HN 0.593 nan 8.310 nan 0.000 0.533 259 G N 0.817 109.646 108.800 0.049 0.000 2.985 259 G HA2 0.184 4.144 3.960 0.000 0.000 0.209 259 G HA3 0.184 4.144 3.960 0.000 0.000 0.209 259 G C 1.035 175.988 174.900 0.089 0.000 1.165 259 G CA 0.107 45.241 45.100 0.057 0.000 0.776 259 G HN 0.448 nan 8.290 nan 0.000 0.541 260 L N 0.588 121.877 121.223 0.111 0.000 2.093 260 L HA 0.121 4.461 4.340 0.000 0.000 0.208 260 L C 2.500 179.461 176.870 0.152 0.000 1.085 260 L CA 1.969 56.897 54.840 0.146 0.000 0.755 260 L CB -0.305 41.850 42.059 0.159 0.000 0.904 260 L HN 0.344 nan 8.230 nan 0.000 0.435 261 E N -1.171 119.101 120.200 0.119 0.000 2.077 261 E HA -0.318 4.032 4.350 0.000 0.000 0.193 261 E C 2.167 178.834 176.600 0.112 0.000 0.989 261 E CA 1.313 57.778 56.400 0.109 0.000 0.800 261 E CB -0.031 29.712 29.700 0.072 0.000 0.746 261 E HN 0.526 nan 8.360 nan 0.000 0.452 262 Q N 0.222 120.081 119.800 0.098 0.000 2.119 262 Q HA -0.149 4.191 4.340 0.000 0.000 0.201 262 Q C 2.039 178.118 176.000 0.132 0.000 0.972 262 Q CA 1.186 57.047 55.803 0.096 0.000 0.847 262 Q CB -0.281 28.502 28.738 0.074 0.000 0.903 262 Q HN 0.358 nan 8.270 nan 0.000 0.433 263 L N 0.619 121.932 121.223 0.150 0.000 2.046 263 L HA -0.115 4.225 4.340 0.000 0.000 0.208 263 L C 1.699 178.722 176.870 0.255 0.000 1.077 263 L CA 1.932 56.889 54.840 0.197 0.000 0.747 263 L CB -0.450 41.707 42.059 0.163 0.000 0.896 263 L HN 0.274 nan 8.230 nan 0.000 0.432 264 E N -0.893 119.476 120.200 0.281 0.000 2.204 264 E HA -0.159 4.191 4.350 0.000 0.000 0.195 264 E C 2.070 178.832 176.600 0.271 0.000 0.990 264 E CA 1.173 57.812 56.400 0.399 0.000 0.821 264 E CB -0.085 29.859 29.700 0.406 0.000 0.750 264 E HN 0.540 nan 8.360 nan 0.000 0.477 265 S N 1.165 116.966 115.700 0.168 0.000 2.383 265 S HA -0.120 4.350 4.470 0.000 0.000 0.227 265 S C 2.145 176.797 174.600 0.086 0.000 1.026 265 S CA 1.114 59.377 58.200 0.104 0.000 0.981 265 S CB -0.222 63.023 63.200 0.075 0.000 0.818 265 S HN 0.415 nan 8.310 nan 0.000 0.472 266 I N -1.457 119.179 120.570 0.110 0.000 3.783 266 I HA 0.397 4.567 4.170 0.000 0.000 0.310 266 I C 0.602 176.689 176.117 -0.050 0.000 1.274 266 I CA -0.224 61.108 61.300 0.054 0.000 1.294 266 I CB 0.035 38.110 38.000 0.126 0.000 1.051 266 I HN 0.072 nan 8.210 nan 0.000 0.435 267 I N 4.305 124.855 120.570 -0.033 0.000 2.618 267 I HA 0.077 4.248 4.170 0.000 0.000 0.284 267 I C -0.495 175.217 176.117 -0.675 0.000 1.146 267 I CA 0.271 61.387 61.300 -0.305 0.000 1.425 267 I CB 0.088 37.985 38.000 -0.172 0.000 1.383 267 I HN 0.600 nan 8.210 nan 0.000 0.562 268 N N 5.119 123.301 118.700 -0.863 0.000 3.308 268 N HA 0.074 4.814 4.740 0.000 0.000 0.276 268 N C -0.075 175.183 175.510 -0.421 0.000 1.533 268 N CA -0.730 51.912 53.050 -0.679 0.000 0.878 268 N CB 0.067 38.400 38.487 -0.257 0.000 1.566 268 N HN 0.354 nan 8.380 nan 0.000 0.546 269 F N 0.980 120.853 119.950 -0.129 0.000 2.102 269 F HA 0.055 4.582 4.527 0.000 0.000 0.298 269 F C 1.731 177.452 175.800 -0.131 0.000 1.105 269 F CA 1.972 59.968 58.000 -0.006 0.000 1.239 269 F CB -0.340 38.694 39.000 0.057 0.000 0.991 269 F HN 0.619 nan 8.300 nan 0.000 0.474 270 E N 0.658 120.671 120.200 -0.312 0.000 2.051 270 E HA -0.176 4.174 4.350 0.000 0.000 0.192 270 E C 2.161 178.449 176.600 -0.520 0.000 0.991 270 E CA 1.407 57.521 56.400 -0.476 0.000 0.799 270 E CB -0.354 29.179 29.700 -0.278 0.000 0.748 270 E HN 0.243 nan 8.360 nan 0.000 0.449 271 K N 0.087 120.127 120.400 -0.599 0.000 2.057 271 K HA -0.088 4.232 4.320 0.000 0.000 0.207 271 K C 2.137 178.066 176.600 -1.120 0.000 1.049 271 K CA 0.629 56.303 56.287 -1.022 0.000 0.931 271 K CB -0.443 31.236 32.500 -1.368 0.000 0.714 271 K HN 0.142 nan 8.250 nan 0.000 0.440 272 L N 1.383 122.218 121.223 -0.646 0.000 2.109 272 L HA -0.101 4.239 4.340 0.000 0.000 0.207 272 L C 2.027 178.824 176.870 -0.122 0.000 1.086 272 L CA 1.759 56.469 54.840 -0.217 0.000 0.760 272 L CB -0.781 41.300 42.059 0.036 0.000 0.910 272 L HN 0.106 nan 8.230 nan 0.000 0.437 273 T N -0.581 113.813 114.554 -0.267 0.000 2.684 273 T HA -0.275 4.075 4.350 0.000 0.000 0.267 273 T C 1.697 176.301 174.700 -0.159 0.000 1.036 273 T CA 1.812 63.769 62.100 -0.239 0.000 1.148 273 T CB -0.249 68.328 68.868 -0.486 0.000 0.863 273 T HN 0.531 nan 8.240 nan 0.000 0.436 274 E N -0.385 119.668 120.200 -0.246 0.000 2.038 274 E HA -0.180 4.170 4.350 0.000 0.000 0.195 274 E C 1.883 178.510 176.600 0.046 0.000 1.000 274 E CA 1.275 57.590 56.400 -0.141 0.000 0.803 274 E CB -0.111 29.446 29.700 -0.237 0.000 0.750 274 E HN 0.554 nan 8.360 nan 0.000 0.448 275 W N 0.866 122.153 121.300 -0.022 0.000 2.525 275 W HA -0.028 4.632 4.660 0.000 0.000 0.259 275 W C 1.882 178.414 176.519 0.021 0.000 1.253 275 W CA 1.656 59.005 57.345 0.007 0.000 1.262 275 W CB -0.631 28.841 29.460 0.020 0.000 1.122 275 W HN 0.256 nan 8.180 nan 0.000 0.607 276 T N -3.380 111.309 114.554 0.225 0.000 3.132 276 T HA 0.182 4.533 4.350 0.000 0.000 0.274 276 T C 0.797 175.558 174.700 0.102 0.000 1.011 276 T CA 0.114 62.310 62.100 0.160 0.000 0.899 276 T CB -0.243 68.721 68.868 0.159 0.000 1.089 276 T HN -0.072 nan 8.240 nan 0.000 0.543 277 S N 1.470 117.222 115.700 0.086 0.000 2.600 277 S HA 0.289 4.759 4.470 0.000 0.000 0.265 277 S C 1.580 176.214 174.600 0.056 0.000 1.325 277 S CA 0.030 58.262 58.200 0.054 0.000 1.002 277 S CB 1.237 64.457 63.200 0.033 0.000 0.921 277 S HN 0.446 nan 8.310 nan 0.000 0.554 278 S N 1.055 116.780 115.700 0.042 0.000 2.489 278 S HA -0.060 4.410 4.470 0.000 0.000 0.228 278 S C 1.190 175.811 174.600 0.035 0.000 0.995 278 S CA 0.607 58.830 58.200 0.038 0.000 0.934 278 S CB -1.021 62.198 63.200 0.032 0.000 0.771 278 S HN 0.828 nan 8.310 nan 0.000 0.522 279 N N 1.131 119.852 118.700 0.035 0.000 2.289 279 N HA -0.003 4.737 4.740 0.000 0.000 0.184 279 N C 0.595 176.131 175.510 0.042 0.000 1.016 279 N CA 1.133 54.203 53.050 0.034 0.000 0.872 279 N CB -0.095 38.410 38.487 0.031 0.000 0.973 279 N HN 0.276 nan 8.380 nan 0.000 0.433 280 V N 1.115 121.062 119.914 0.055 0.000 3.249 280 V HA 0.088 4.208 4.120 0.000 0.000 0.338 280 V C -0.144 175.985 176.094 0.058 0.000 1.363 280 V CA 0.170 62.510 62.300 0.067 0.000 1.205 280 V CB -0.443 31.443 31.823 0.104 0.000 1.164 280 V HN 0.199 nan 8.190 nan 0.000 0.458 281 E N 2.006 122.209 120.200 0.007 0.000 2.194 281 E HA 0.537 4.887 4.350 0.000 0.000 0.284 281 E C -0.204 176.385 176.600 -0.019 0.000 1.035 281 E CA -0.170 56.223 56.400 -0.011 0.000 0.836 281 E CB 1.067 30.749 29.700 -0.030 0.000 1.070 281 E HN 0.397 nan 8.360 nan 0.000 0.401 282 R N 2.353 122.841 120.500 -0.021 0.000 2.740 282 R HA 0.364 4.704 4.340 0.000 0.000 0.273 282 R C -0.642 175.632 176.300 -0.043 0.000 0.998 282 R CA -0.988 55.101 56.100 -0.018 0.000 0.900 282 R CB 2.144 32.451 30.300 0.011 0.000 1.223 282 R HN 0.273 nan 8.270 nan 0.000 0.466 283 K N 1.847 122.218 120.400 -0.048 0.000 2.205 283 K HA 0.500 4.820 4.320 0.000 0.000 0.279 283 K C -0.468 176.122 176.600 -0.016 0.000 1.027 283 K CA -0.275 55.968 56.287 -0.073 0.000 0.932 283 K CB 1.269 33.720 32.500 -0.080 0.000 1.032 283 K HN 0.449 nan 8.250 nan 0.000 0.466 284 I N 0.904 121.476 120.570 0.004 0.000 2.841 284 I HA 0.195 4.365 4.170 0.000 0.000 0.298 284 I C -1.490 174.652 176.117 0.041 0.000 1.304 284 I CA -0.829 60.508 61.300 0.061 0.000 1.019 284 I CB 1.893 39.956 38.000 0.106 0.000 1.282 284 I HN 0.424 nan 8.210 nan 0.000 0.432 285 K N 5.498 125.939 120.400 0.069 0.000 2.312 285 K HA 0.496 4.816 4.320 0.000 0.000 0.287 285 K C -1.202 175.453 176.600 0.092 0.000 1.062 285 K CA -0.486 55.825 56.287 0.040 0.000 0.934 285 K CB 1.522 34.182 32.500 0.268 0.000 1.027 285 K HN 0.323 nan 8.250 nan 0.000 0.478 286 V N 4.690 124.542 119.914 -0.104 0.000 2.417 286 V HA 0.250 4.370 4.120 0.000 0.000 0.291 286 V C -1.088 175.013 176.094 0.013 0.000 1.024 286 V CA -0.833 61.473 62.300 0.010 0.000 0.861 286 V CB 0.648 32.357 31.823 -0.189 0.000 0.985 286 V HN 0.560 nan 8.190 nan 0.000 0.436 287 Y N 5.462 125.892 120.300 0.216 0.000 2.334 287 Y HA 0.706 5.256 4.550 0.000 0.000 0.336 287 Y C -0.299 175.639 175.900 0.064 0.000 0.960 287 Y CA -0.678 57.535 58.100 0.188 0.000 1.164 287 Y CB 1.697 40.249 38.460 0.152 0.000 1.155 287 Y HN 0.503 nan 8.280 nan 0.000 0.478 288 L N 7.284 128.547 121.223 0.067 0.000 2.410 288 L HA 0.733 5.073 4.340 0.000 0.000 0.270 288 L C -2.766 174.033 176.870 -0.118 0.000 0.983 288 L CA -2.568 52.217 54.840 -0.092 0.000 0.822 288 L CB 2.162 44.076 42.059 -0.241 0.000 1.285 288 L HN 0.240 nan 8.230 nan 0.000 0.409 289 P HA 0.198 nan 4.420 nan 0.000 0.275 289 P C -0.942 176.287 177.300 -0.119 0.000 1.228 289 P CA -0.342 62.737 63.100 -0.033 0.000 0.786 289 P CB 0.555 32.261 31.700 0.010 0.000 0.927 290 R N 2.270 122.690 120.500 -0.132 0.000 2.538 290 R HA 0.233 4.573 4.340 0.000 0.000 0.282 290 R C 0.328 176.538 176.300 -0.150 0.000 1.009 290 R CA 0.513 56.532 56.100 -0.134 0.000 1.063 290 R CB -0.121 30.115 30.300 -0.108 0.000 0.945 290 R HN 0.544 nan 8.270 nan 0.000 0.414 291 M N 1.853 121.349 119.600 -0.173 0.000 2.395 291 M HA 0.217 4.697 4.480 0.000 0.000 0.307 291 M C -0.795 175.353 176.300 -0.252 0.000 1.091 291 M CA -0.785 54.376 55.300 -0.231 0.000 0.919 291 M CB 2.546 34.969 32.600 -0.294 0.000 1.662 291 M HN 0.332 nan 8.290 nan 0.000 0.440 292 K N 2.526 122.771 120.400 -0.260 0.000 2.502 292 K HA 0.709 5.029 4.320 0.000 0.000 0.254 292 K C -1.276 175.097 176.600 -0.379 0.000 0.947 292 K CA -0.769 55.326 56.287 -0.321 0.000 0.834 292 K CB 1.446 33.815 32.500 -0.219 0.000 1.112 292 K HN 0.674 nan 8.250 nan 0.000 0.427 293 M N 2.227 121.492 119.600 -0.560 0.000 2.268 293 M HA 0.521 5.001 4.480 0.000 0.000 0.344 293 M C -0.462 175.601 176.300 -0.394 0.000 1.106 293 M CA -0.445 54.528 55.300 -0.546 0.000 1.010 293 M CB 1.108 33.074 32.600 -1.057 0.000 1.649 293 M HN 1.041 nan 8.290 nan 0.000 0.443 294 E N 2.121 122.267 120.200 -0.090 0.000 2.311 294 E HA 0.420 4.770 4.350 0.000 0.000 0.281 294 E C -1.595 175.076 176.600 0.118 0.000 0.905 294 E CA -0.285 56.177 56.400 0.103 0.000 0.778 294 E CB 1.994 31.787 29.700 0.154 0.000 1.240 294 E HN 0.567 nan 8.360 nan 0.000 0.410 295 E N 2.739 123.036 120.200 0.162 0.000 2.383 295 E HA 0.398 4.748 4.350 0.000 0.000 0.275 295 E C -1.412 175.062 176.600 -0.210 0.000 0.918 295 E CA -0.811 55.548 56.400 -0.068 0.000 0.764 295 E CB 2.428 32.116 29.700 -0.020 0.000 1.252 295 E HN 0.433 nan 8.360 nan 0.000 0.449 296 K N 1.488 121.628 120.400 -0.434 0.000 2.427 296 K HA 0.526 4.847 4.320 0.000 0.000 0.252 296 K C -1.704 174.554 176.600 -0.569 0.000 0.931 296 K CA -0.468 55.626 56.287 -0.322 0.000 0.793 296 K CB 1.050 33.469 32.500 -0.135 0.000 1.211 296 K HN 0.358 nan 8.250 nan 0.000 0.426 297 Y N 1.184 121.541 120.300 0.094 0.000 2.499 297 Y HA 0.297 4.847 4.550 0.000 0.000 0.347 297 Y C -0.034 175.907 175.900 0.067 0.000 0.987 297 Y CA -1.154 56.992 58.100 0.076 0.000 1.044 297 Y CB 1.675 40.169 38.460 0.057 0.000 1.245 297 Y HN 0.573 nan 8.280 nan 0.000 0.461 298 N N 2.877 121.693 118.700 0.193 0.000 2.402 298 N HA 0.097 4.837 4.740 0.000 0.000 0.252 298 N C 0.436 175.973 175.510 0.046 0.000 1.118 298 N CA 0.412 53.510 53.050 0.080 0.000 0.945 298 N CB 0.475 38.973 38.487 0.018 0.000 1.147 298 N HN 0.848 nan 8.380 nan 0.000 0.495 299 L N 2.103 123.355 121.223 0.048 0.000 2.141 299 L HA -0.167 4.173 4.340 0.000 0.000 0.209 299 L C 2.237 179.019 176.870 -0.147 0.000 1.094 299 L CA 1.423 56.273 54.840 0.017 0.000 0.763 299 L CB -0.579 41.541 42.059 0.102 0.000 0.908 299 L HN 0.650 nan 8.230 nan 0.000 0.437 300 T N -3.456 110.924 114.554 -0.290 0.000 2.674 300 T HA -0.180 4.170 4.350 0.000 0.000 0.265 300 T C 2.013 176.418 174.700 -0.491 0.000 1.039 300 T CA 1.571 63.225 62.100 -0.742 0.000 1.150 300 T CB -0.609 67.808 68.868 -0.751 0.000 0.864 300 T HN 0.298 nan 8.240 nan 0.000 0.427 301 S N 1.710 117.241 115.700 -0.281 0.000 2.359 301 S HA -0.103 4.367 4.470 0.000 0.000 0.224 301 S C 2.277 176.777 174.600 -0.167 0.000 1.035 301 S CA 1.363 59.436 58.200 -0.212 0.000 1.018 301 S CB -0.990 62.091 63.200 -0.197 0.000 0.876 301 S HN 0.435 nan 8.310 nan 0.000 0.448 302 V N 2.551 122.383 119.914 -0.135 0.000 2.261 302 V HA -0.157 3.963 4.120 0.000 0.000 0.246 302 V C 2.296 178.351 176.094 -0.066 0.000 1.047 302 V CA 1.669 63.908 62.300 -0.102 0.000 1.015 302 V CB -0.974 30.774 31.823 -0.125 0.000 0.642 302 V HN 0.415 nan 8.190 nan 0.000 0.446 303 L N -1.133 120.067 121.223 -0.038 0.000 2.141 303 L HA -0.179 4.161 4.340 0.000 0.000 0.209 303 L C 2.536 179.470 176.870 0.107 0.000 1.094 303 L CA 1.515 56.404 54.840 0.081 0.000 0.763 303 L CB -0.553 41.645 42.059 0.232 0.000 0.908 303 L HN 0.312 nan 8.230 nan 0.000 0.437 304 M N -0.293 119.318 119.600 0.018 0.000 2.175 304 M HA -0.151 4.329 4.480 0.000 0.000 0.264 304 M C 2.510 178.830 176.300 0.034 0.000 1.063 304 M CA 1.752 57.090 55.300 0.063 0.000 1.119 304 M CB -0.488 32.114 32.600 0.003 0.000 1.377 304 M HN 0.307 nan 8.290 nan 0.000 0.415 305 A N -0.067 122.753 122.820 -0.001 0.000 2.070 305 A HA -0.106 4.214 4.320 0.000 0.000 0.220 305 A C 2.038 179.629 177.584 0.012 0.000 1.159 305 A CA 1.372 53.414 52.037 0.007 0.000 0.656 305 A CB -0.581 18.426 19.000 0.011 0.000 0.800 305 A HN 0.500 nan 8.150 nan 0.000 0.453 306 M N -1.896 117.713 119.600 0.016 0.000 2.541 306 M HA 0.177 4.657 4.480 0.000 0.000 0.252 306 M C 1.252 177.571 176.300 0.032 0.000 1.125 306 M CA 0.869 56.178 55.300 0.015 0.000 1.091 306 M CB 0.444 33.052 32.600 0.014 0.000 1.420 306 M HN 0.614 nan 8.290 nan 0.000 0.486 307 G N 1.718 110.546 108.800 0.048 0.000 2.135 307 G HA2 -0.177 3.783 3.960 0.000 0.000 0.183 307 G HA3 -0.177 3.783 3.960 0.000 0.000 0.183 307 G C -0.102 174.837 174.900 0.065 0.000 1.004 307 G CA -0.600 44.530 45.100 0.049 0.000 0.677 307 G HN 0.420 nan 8.290 nan 0.000 0.512 308 I N 2.304 122.939 120.570 0.110 0.000 2.306 308 I HA 0.406 4.576 4.170 0.000 0.000 0.288 308 I C 1.434 177.675 176.117 0.208 0.000 1.036 308 I CA 0.266 61.635 61.300 0.115 0.000 1.221 308 I CB 1.288 39.361 38.000 0.122 0.000 1.385 308 I HN 0.262 nan 8.210 nan 0.000 0.472 309 T N -1.166 113.453 114.554 0.109 0.000 3.028 309 T HA 0.066 4.416 4.350 0.000 0.000 0.250 309 T C 1.130 175.871 174.700 0.068 0.000 0.979 309 T CA -0.016 62.182 62.100 0.164 0.000 1.004 309 T CB 0.082 69.012 68.868 0.104 0.000 1.120 309 T HN 0.270 nan 8.240 nan 0.000 0.482 310 D N 1.634 122.020 120.400 -0.023 0.000 2.144 310 D HA -0.020 4.620 4.640 0.000 0.000 0.199 310 D C 2.109 178.327 176.300 -0.137 0.000 0.984 310 D CA 0.670 54.637 54.000 -0.055 0.000 0.834 310 D CB -0.534 40.231 40.800 -0.058 0.000 0.955 310 D HN 0.245 nan 8.370 nan 0.000 0.465 311 V N -0.041 119.691 119.914 -0.303 0.000 2.594 311 V HA -0.222 3.898 4.120 0.000 0.000 0.253 311 V C 1.210 176.999 176.094 -0.509 0.000 1.069 311 V CA 1.364 63.375 62.300 -0.481 0.000 1.082 311 V CB -0.388 31.036 31.823 -0.666 0.000 0.680 311 V HN 0.072 nan 8.190 nan 0.000 0.469 312 F N 0.311 120.254 119.950 -0.011 0.000 2.765 312 F HA 0.307 4.834 4.527 0.000 0.000 0.302 312 F C 1.258 177.048 175.800 -0.017 0.000 1.111 312 F CA 0.393 58.385 58.000 -0.013 0.000 1.359 312 F CB -0.449 38.547 39.000 -0.007 0.000 1.097 312 F HN 0.289 nan 8.300 nan 0.000 0.577 313 S N -1.953 113.786 115.700 0.064 0.000 2.806 313 S HA 0.372 4.842 4.470 0.000 0.000 0.315 313 S C 1.047 175.650 174.600 0.006 0.000 1.127 313 S CA -0.253 57.976 58.200 0.048 0.000 0.918 313 S CB 1.328 64.554 63.200 0.044 0.000 1.240 313 S HN -0.085 nan 8.310 nan 0.000 0.552 314 S N 1.182 116.886 115.700 0.008 0.000 2.447 314 S HA -0.050 4.420 4.470 0.000 0.000 0.233 314 S C 1.695 176.284 174.600 -0.019 0.000 1.006 314 S CA 1.116 59.313 58.200 -0.005 0.000 0.957 314 S CB -0.651 62.551 63.200 0.004 0.000 0.773 314 S HN 0.851 nan 8.310 nan 0.000 0.507 315 S N 1.740 117.429 115.700 -0.018 0.000 2.607 315 S HA 0.370 4.840 4.470 0.000 0.000 0.224 315 S C 0.825 175.396 174.600 -0.049 0.000 0.969 315 S CA 0.095 58.279 58.200 -0.028 0.000 0.927 315 S CB -0.475 62.713 63.200 -0.019 0.000 0.772 315 S HN 0.534 nan 8.310 nan 0.000 0.533 316 A N 2.331 125.113 122.820 -0.064 0.000 2.565 316 A HA 0.190 4.510 4.320 0.000 0.000 0.237 316 A C 0.373 177.898 177.584 -0.098 0.000 1.053 316 A CA -0.088 51.890 52.037 -0.098 0.000 0.755 316 A CB -0.308 18.619 19.000 -0.121 0.000 0.980 316 A HN 0.609 nan 8.150 nan 0.000 0.506 317 N N 2.378 121.015 118.700 -0.104 0.000 2.706 317 N HA 0.437 5.177 4.740 0.000 0.000 0.240 317 N C -0.575 174.855 175.510 -0.132 0.000 1.039 317 N CA -0.423 52.565 53.050 -0.105 0.000 0.888 317 N CB 0.206 38.643 38.487 -0.083 0.000 1.128 317 N HN 0.614 nan 8.380 nan 0.000 0.512 318 L N 2.997 124.126 121.223 -0.157 0.000 3.073 318 L HA 0.167 4.507 4.340 0.000 0.000 0.242 318 L C 1.540 178.283 176.870 -0.211 0.000 1.317 318 L CA -0.150 54.571 54.840 -0.199 0.000 1.081 318 L CB 0.135 42.061 42.059 -0.222 0.000 1.456 318 L HN 0.547 nan 8.230 nan 0.000 0.525 319 S N -2.025 113.576 115.700 -0.164 0.000 2.562 319 S HA -0.018 4.452 4.470 0.000 0.000 0.221 319 S C 1.728 176.242 174.600 -0.144 0.000 0.975 319 S CA 0.535 58.652 58.200 -0.138 0.000 0.918 319 S CB 0.120 63.261 63.200 -0.098 0.000 0.772 319 S HN 0.467 nan 8.310 nan 0.000 0.531 320 G N 1.113 109.806 108.800 -0.178 0.000 2.880 320 G HA2 0.252 4.212 3.960 0.000 0.000 0.209 320 G HA3 0.252 4.212 3.960 0.000 0.000 0.209 320 G C 1.146 175.862 174.900 -0.308 0.000 1.157 320 G CA 0.238 45.235 45.100 -0.171 0.000 0.779 320 G HN 0.579 nan 8.290 nan 0.000 0.539 321 I N -0.611 119.680 120.570 -0.464 0.000 2.685 321 I HA 0.177 4.347 4.170 0.000 0.000 0.251 321 I C 1.071 177.008 176.117 -0.300 0.000 1.102 321 I CA 0.412 61.301 61.300 -0.685 0.000 1.442 321 I CB 0.389 37.913 38.000 -0.792 0.000 1.194 321 I HN 0.140 nan 8.210 nan 0.000 0.448 322 S N -0.646 114.919 115.700 -0.226 0.000 2.564 322 S HA 0.278 4.748 4.470 0.000 0.000 0.274 322 S C 0.691 175.232 174.600 -0.100 0.000 1.124 322 S CA -0.312 57.814 58.200 -0.123 0.000 0.869 322 S CB 1.643 64.768 63.200 -0.126 0.000 1.105 322 S HN 0.226 nan 8.310 nan 0.000 0.472 323 S N 2.280 117.954 115.700 -0.043 0.000 2.461 323 S HA 0.274 4.744 4.470 0.000 0.000 0.228 323 S C 0.968 175.559 174.600 -0.015 0.000 1.005 323 S CA 0.327 58.510 58.200 -0.029 0.000 0.942 323 S CB -0.509 62.687 63.200 -0.007 0.000 0.776 323 S HN 1.100 nan 8.310 nan 0.000 0.514 324 A N 1.413 124.240 122.820 0.012 0.000 2.462 324 A HA 0.564 4.885 4.320 0.000 0.000 0.243 324 A C 1.210 178.780 177.584 -0.022 0.000 1.076 324 A CA 0.256 52.331 52.037 0.064 0.000 0.773 324 A CB -0.066 19.105 19.000 0.285 0.000 1.010 324 A HN 0.535 nan 8.150 nan 0.000 0.493 325 E N 0.715 120.923 120.200 0.013 0.000 2.442 325 E HA 0.032 4.382 4.350 0.000 0.000 0.195 325 E C 1.541 178.121 176.600 -0.034 0.000 1.030 325 E CA 1.127 57.513 56.400 -0.023 0.000 0.869 325 E CB -0.444 29.255 29.700 -0.002 0.000 0.857 325 E HN 1.212 nan 8.360 nan 0.000 0.505 326 S N -0.444 115.253 115.700 -0.004 0.000 2.575 326 S HA 0.274 4.744 4.470 0.000 0.000 0.215 326 S C 0.731 175.251 174.600 -0.133 0.000 0.966 326 S CA -0.328 57.871 58.200 -0.000 0.000 0.911 326 S CB -0.476 62.804 63.200 0.133 0.000 0.780 326 S HN 0.353 nan 8.310 nan 0.000 0.514 327 L N 3.703 124.724 121.223 -0.337 0.000 2.513 327 L HA 0.331 4.671 4.340 0.000 0.000 0.272 327 L C -0.035 176.694 176.870 -0.235 0.000 1.187 327 L CA 0.640 55.196 54.840 -0.474 0.000 0.895 327 L CB 0.071 41.766 42.059 -0.607 0.000 1.147 327 L HN 0.475 nan 8.230 nan 0.000 0.483 328 K N 4.095 124.395 120.400 -0.167 0.000 2.533 328 K HA 0.519 4.839 4.320 0.000 0.000 0.284 328 K C -1.219 175.350 176.600 -0.052 0.000 1.025 328 K CA -0.976 55.248 56.287 -0.104 0.000 0.900 328 K CB 0.916 33.386 32.500 -0.050 0.000 1.519 328 K HN 0.395 nan 8.250 nan 0.000 0.432 329 I N 2.372 122.926 120.570 -0.026 0.000 2.352 329 I HA 0.053 4.223 4.170 0.000 0.000 0.290 329 I C 0.588 176.824 176.117 0.198 0.000 1.036 329 I CA -0.324 61.037 61.300 0.102 0.000 1.336 329 I CB 1.518 39.606 38.000 0.146 0.000 1.407 329 I HN 0.710 nan 8.210 nan 0.000 0.497 330 S N 4.507 120.268 115.700 0.101 0.000 2.439 330 S HA 0.108 4.578 4.470 0.000 0.000 0.224 330 S C 0.482 175.103 174.600 0.036 0.000 1.029 330 S CA 0.335 58.564 58.200 0.048 0.000 0.946 330 S CB 0.148 63.310 63.200 -0.063 0.000 0.797 330 S HN 0.602 nan 8.310 nan 0.000 0.504 331 Q N -0.602 119.231 119.800 0.055 0.000 2.377 331 Q HA 0.702 5.042 4.340 0.000 0.000 0.279 331 Q C -1.614 174.451 176.000 0.107 0.000 1.049 331 Q CA -0.458 55.367 55.803 0.037 0.000 0.825 331 Q CB 2.284 31.025 28.738 0.004 0.000 1.401 331 Q HN 0.181 nan 8.270 nan 0.000 0.404 332 A N 1.081 123.955 122.820 0.090 0.000 2.442 332 A HA 0.684 5.004 4.320 0.000 0.000 0.284 332 A C -1.444 176.215 177.584 0.126 0.000 1.058 332 A CA -0.614 51.513 52.037 0.150 0.000 0.738 332 A CB 1.498 20.631 19.000 0.223 0.000 1.242 332 A HN 0.361 nan 8.150 nan 0.000 0.421 333 V N 2.916 122.929 119.914 0.164 0.000 2.735 333 V HA 0.791 4.911 4.120 0.000 0.000 0.310 333 V C -1.263 174.976 176.094 0.240 0.000 1.061 333 V CA -0.567 61.832 62.300 0.166 0.000 0.913 333 V CB 2.096 33.993 31.823 0.123 0.000 1.005 333 V HN 1.132 nan 8.190 nan 0.000 0.428 334 H N 4.533 123.699 119.070 0.160 0.000 2.589 334 H HA 0.857 5.413 4.556 0.000 0.000 0.351 334 H C -0.542 174.896 175.328 0.183 0.000 1.074 334 H CA 0.378 56.540 56.048 0.190 0.000 1.203 334 H CB 1.811 31.704 29.762 0.219 0.000 1.558 334 H HN 1.051 nan 8.280 nan 0.000 0.522 335 A N 3.610 126.239 122.820 -0.319 0.000 2.393 335 A HA 0.861 5.181 4.320 0.000 0.000 0.306 335 A C -1.335 176.088 177.584 -0.269 0.000 1.050 335 A CA -0.141 51.769 52.037 -0.211 0.000 0.724 335 A CB 1.175 20.149 19.000 -0.042 0.000 1.248 335 A HN 0.951 nan 8.150 nan 0.000 0.424 336 A N 1.352 124.164 122.820 -0.014 0.000 2.449 336 A HA 0.781 5.101 4.320 0.000 0.000 0.302 336 A C -1.093 176.781 177.584 0.482 0.000 1.048 336 A CA -0.365 51.801 52.037 0.215 0.000 0.708 336 A CB 1.087 20.181 19.000 0.157 0.000 1.274 336 A HN 1.448 nan 8.150 nan 0.000 0.410 337 H N 0.505 119.822 119.070 0.411 0.000 2.771 337 H HA 0.763 5.319 4.556 0.000 0.000 0.361 337 H C -0.741 174.723 175.328 0.226 0.000 1.108 337 H CA 0.281 56.499 56.048 0.283 0.000 1.201 337 H CB 1.742 31.573 29.762 0.115 0.000 1.681 337 H HN 1.170 nan 8.280 nan 0.000 0.534 338 A N 4.043 126.658 122.820 -0.342 0.000 2.547 338 A HA 0.498 4.818 4.320 0.000 0.000 0.297 338 A C -1.316 175.981 177.584 -0.479 0.000 1.056 338 A CA -0.843 51.031 52.037 -0.272 0.000 0.688 338 A CB 1.721 20.596 19.000 -0.209 0.000 1.282 338 A HN 0.770 nan 8.150 nan 0.000 0.400 339 E N 1.313 121.344 120.200 -0.282 0.000 2.199 339 E HA 0.563 4.913 4.350 0.000 0.000 0.269 339 E C -1.233 175.237 176.600 -0.217 0.000 0.899 339 E CA -0.753 55.494 56.400 -0.255 0.000 0.772 339 E CB 2.162 31.773 29.700 -0.148 0.000 1.155 339 E HN 0.436 nan 8.360 nan 0.000 0.408 340 I N 3.911 124.367 120.570 -0.191 0.000 2.410 340 I HA 0.254 4.424 4.170 0.000 0.000 0.286 340 I C 0.008 176.088 176.117 -0.061 0.000 1.009 340 I CA -0.358 60.871 61.300 -0.118 0.000 1.111 340 I CB 0.461 38.410 38.000 -0.086 0.000 1.262 340 I HN 0.694 nan 8.210 nan 0.000 0.443 341 N N 3.720 122.411 118.700 -0.014 0.000 3.566 341 N HA 0.338 5.078 4.740 0.000 0.000 0.354 341 N C 0.082 175.696 175.510 0.174 0.000 1.632 341 N CA -0.539 52.520 53.050 0.014 0.000 0.690 341 N CB 0.965 39.434 38.487 -0.031 0.000 2.273 341 N HN 0.103 nan 8.380 nan 0.000 0.643 342 E N 0.529 120.809 120.200 0.133 0.000 2.204 342 E HA 0.096 4.446 4.350 0.000 0.000 0.194 342 E C 0.348 177.208 176.600 0.433 0.000 0.989 342 E CA 0.600 57.170 56.400 0.284 0.000 0.824 342 E CB -0.333 29.479 29.700 0.186 0.000 0.756 342 E HN 0.567 nan 8.360 nan 0.000 0.477 343 A N 0.867 123.843 122.820 0.259 0.000 2.546 343 A HA 0.483 4.803 4.320 0.000 0.000 0.243 343 A C 0.683 178.435 177.584 0.281 0.000 1.063 343 A CA 0.914 53.064 52.037 0.190 0.000 0.757 343 A CB 0.038 19.070 19.000 0.054 0.000 0.991 343 A HN 0.222 nan 8.150 nan 0.000 0.503 344 G N 0.608 109.548 108.800 0.233 0.000 2.663 344 G HA2 0.465 4.425 3.960 0.000 0.000 0.299 344 G HA3 0.465 4.425 3.960 0.000 0.000 0.299 344 G C 0.341 175.330 174.900 0.149 0.000 1.372 344 G CA -0.059 45.191 45.100 0.251 0.000 0.781 344 G HN 0.730 nan 8.290 nan 0.000 0.491 345 R N -0.516 120.066 120.500 0.137 0.000 2.128 345 R HA 0.228 4.568 4.340 0.000 0.000 0.211 345 R C 0.669 177.006 176.300 0.061 0.000 1.067 345 R CA 1.396 57.551 56.100 0.091 0.000 1.010 345 R CB 0.065 30.422 30.300 0.094 0.000 0.922 345 R HN 0.694 nan 8.270 nan 0.000 0.457 346 E N -0.380 119.852 120.200 0.053 0.000 2.433 346 E HA 0.373 4.723 4.350 0.000 0.000 0.273 346 E C -1.578 175.019 176.600 -0.005 0.000 0.950 346 E CA -1.048 55.363 56.400 0.019 0.000 0.796 346 E CB 2.139 31.841 29.700 0.004 0.000 1.330 346 E HN -0.069 nan 8.360 nan 0.000 0.455 347 V N 1.322 121.224 119.914 -0.020 0.000 2.715 347 V HA 0.444 4.564 4.120 0.000 0.000 0.310 347 V C -0.282 175.776 176.094 -0.059 0.000 1.054 347 V CA -0.661 61.611 62.300 -0.046 0.000 0.928 347 V CB 1.882 33.690 31.823 -0.024 0.000 1.007 347 V HN 0.678 nan 8.190 nan 0.000 0.437 348 V N 4.057 123.921 119.914 -0.084 0.000 2.843 348 V HA 0.709 4.829 4.120 0.000 0.000 0.305 348 V C 0.863 176.923 176.094 -0.057 0.000 1.065 348 V CA 0.360 62.611 62.300 -0.082 0.000 1.116 348 V CB 0.290 32.046 31.823 -0.112 0.000 0.968 348 V HN 1.139 nan 8.190 nan 0.000 0.487 349 G N 2.690 111.462 108.800 -0.048 0.000 2.634 349 G HA2 0.339 4.299 3.960 0.000 0.000 0.255 349 G HA3 0.339 4.299 3.960 0.000 0.000 0.255 349 G C 0.793 175.673 174.900 -0.033 0.000 1.205 349 G CA 0.150 45.230 45.100 -0.033 0.000 0.884 349 G HN 0.915 nan 8.290 nan 0.000 0.549 350 S N 0.182 115.868 115.700 -0.024 0.000 2.368 350 S HA -0.116 4.354 4.470 0.000 0.000 0.225 350 S C 2.789 177.376 174.600 -0.020 0.000 1.030 350 S CA 1.467 59.656 58.200 -0.019 0.000 0.999 350 S CB -0.365 62.828 63.200 -0.012 0.000 0.844 350 S HN 0.796 nan 8.310 nan 0.000 0.459 351 A N 1.114 123.922 122.820 -0.021 0.000 1.877 351 A HA -0.140 4.180 4.320 0.000 0.000 0.216 351 A C 2.003 179.571 177.584 -0.026 0.000 1.186 351 A CA 2.005 54.030 52.037 -0.020 0.000 0.620 351 A CB -0.653 18.336 19.000 -0.019 0.000 0.822 351 A HN 0.498 nan 8.150 nan 0.000 0.443 352 E N 0.122 120.302 120.200 -0.035 0.000 2.107 352 E HA 0.042 4.392 4.350 0.000 0.000 0.191 352 E C 1.914 178.484 176.600 -0.048 0.000 0.982 352 E CA 1.344 57.717 56.400 -0.045 0.000 0.809 352 E CB -0.426 29.241 29.700 -0.055 0.000 0.756 352 E HN 0.443 nan 8.360 nan 0.000 0.459 353 A N 0.278 123.070 122.820 -0.047 0.000 1.972 353 A HA -0.012 4.308 4.320 0.000 0.000 0.219 353 A C 2.383 179.949 177.584 -0.031 0.000 1.169 353 A CA 1.597 53.605 52.037 -0.048 0.000 0.635 353 A CB -1.249 17.724 19.000 -0.045 0.000 0.810 353 A HN 0.409 nan 8.150 nan 0.000 0.446 354 G N -0.202 108.585 108.800 -0.022 0.000 2.433 354 G HA2 -0.156 3.804 3.960 0.000 0.000 0.216 354 G HA3 -0.156 3.804 3.960 0.000 0.000 0.216 354 G C 1.527 176.419 174.900 -0.013 0.000 1.186 354 G CA 1.355 46.448 45.100 -0.012 0.000 0.779 354 G HN 0.317 nan 8.290 nan 0.000 0.543 355 V N 1.614 121.516 119.914 -0.020 0.000 2.282 355 V HA -0.224 3.896 4.120 0.000 0.000 0.249 355 V C 2.628 178.707 176.094 -0.024 0.000 1.057 355 V CA 2.370 64.657 62.300 -0.021 0.000 1.032 355 V CB -0.575 31.232 31.823 -0.027 0.000 0.645 355 V HN 0.277 nan 8.190 nan 0.000 0.447 356 D N 0.443 120.822 120.400 -0.035 0.000 2.087 356 D HA -0.155 4.485 4.640 0.000 0.000 0.192 356 D C 2.269 178.558 176.300 -0.019 0.000 0.993 356 D CA 1.842 55.817 54.000 -0.042 0.000 0.828 356 D CB -0.675 40.082 40.800 -0.071 0.000 0.968 356 D HN 0.420 nan 8.370 nan 0.000 0.448 357 A N 1.099 123.914 122.820 -0.007 0.000 1.903 357 A HA -0.203 4.117 4.320 0.000 0.000 0.219 357 A C 2.332 179.930 177.584 0.024 0.000 1.191 357 A CA 3.061 55.112 52.037 0.023 0.000 0.638 357 A CB -1.046 17.971 19.000 0.027 0.000 0.823 357 A HN 0.272 nan 8.150 nan 0.000 0.451 358 A N -0.282 122.544 122.820 0.011 0.000 1.902 358 A HA -0.063 4.257 4.320 0.000 0.000 0.217 358 A C 2.393 179.983 177.584 0.009 0.000 1.181 358 A CA 2.404 54.447 52.037 0.010 0.000 0.623 358 A CB -0.753 18.248 19.000 0.003 0.000 0.818 358 A HN 1.012 nan 8.150 nan 0.000 0.443 359 S N -1.542 114.159 115.700 0.002 0.000 2.524 359 S HA 0.279 4.749 4.470 0.000 0.000 0.216 359 S C 0.347 174.950 174.600 0.005 0.000 0.987 359 S CA 0.083 58.282 58.200 -0.001 0.000 0.909 359 S CB -0.174 63.020 63.200 -0.010 0.000 0.781 359 S HN 0.111 nan 8.310 nan 0.000 0.521 360 V N 3.376 123.298 119.914 0.012 0.000 2.439 360 V HA 0.623 4.743 4.120 0.000 0.000 0.282 360 V C 0.257 176.376 176.094 0.042 0.000 1.039 360 V CA -0.373 61.939 62.300 0.021 0.000 0.913 360 V CB 1.213 33.045 31.823 0.015 0.000 0.983 360 V HN 0.592 nan 8.190 nan 0.000 0.460 364 F N 2.285 122.296 119.950 0.101 0.000 2.500 364 F HA 0.499 5.026 4.527 0.000 0.000 0.349 364 F C -0.747 175.110 175.800 0.094 0.000 1.127 364 F CA -0.609 57.414 58.000 0.038 0.000 0.998 364 F CB 1.368 40.349 39.000 -0.032 0.000 1.237 364 F HN 0.545 nan 8.300 nan 0.000 0.439 365 R N 5.174 125.569 120.500 -0.176 0.000 2.396 365 R HA 0.586 4.926 4.340 0.000 0.000 0.292 365 R C -0.752 175.415 176.300 -0.222 0.000 1.240 365 R CA -0.397 55.669 56.100 -0.056 0.000 1.270 365 R CB 0.710 30.918 30.300 -0.154 0.000 1.108 365 R HN 0.702 nan 8.270 nan 0.000 0.573 366 A N 3.758 126.468 122.820 -0.184 0.000 3.048 366 A HA 0.029 4.349 4.320 0.000 0.000 0.264 366 A C 0.078 177.647 177.584 -0.025 0.000 1.796 366 A CA -0.250 51.612 52.037 -0.291 0.000 1.445 366 A CB -0.392 18.342 19.000 -0.444 0.000 1.074 366 A HN 0.792 nan 8.150 nan 0.000 0.621 367 D N 0.094 120.428 120.400 -0.111 0.000 2.463 367 D HA 0.080 4.720 4.640 0.000 0.000 0.224 367 D C 0.261 176.179 176.300 -0.636 0.000 1.174 367 D CA -0.042 53.881 54.000 -0.128 0.000 0.829 367 D CB -0.239 40.527 40.800 -0.056 0.000 0.993 367 D HN 0.654 nan 8.370 nan 0.000 0.497 368 H N -3.397 115.269 119.070 -0.672 0.000 2.960 368 H HA 0.513 5.069 4.556 0.000 0.000 0.323 368 H C -3.328 171.917 175.328 -0.137 0.000 1.326 368 H CA -2.056 53.517 56.048 -0.790 0.000 1.124 368 H CB -0.158 29.376 29.762 -0.381 0.000 1.853 368 H HN -0.306 nan 8.280 nan 0.000 0.536 369 P HA 0.119 nan 4.420 nan 0.000 0.269 369 P C -0.826 176.605 177.300 0.219 0.000 1.209 369 P CA 0.442 63.665 63.100 0.205 0.000 0.776 369 P CB 0.147 31.951 31.700 0.173 0.000 0.876 370 F N -0.141 119.908 119.950 0.164 0.000 2.662 370 F HA 0.625 5.152 4.527 0.000 0.000 0.312 370 F C -1.397 174.520 175.800 0.196 0.000 1.113 370 F CA -1.468 56.610 58.000 0.130 0.000 0.951 370 F CB 0.707 39.771 39.000 0.107 0.000 1.344 370 F HN -0.045 nan 8.300 nan 0.000 0.462 371 L N 1.881 123.340 121.223 0.393 0.000 2.387 371 L HA 0.697 5.037 4.340 0.000 0.000 0.266 371 L C -0.823 176.305 176.870 0.429 0.000 1.059 371 L CA -0.920 54.041 54.840 0.202 0.000 0.801 371 L CB 1.552 43.709 42.059 0.163 0.000 1.223 371 L HN 0.811 nan 8.230 nan 0.000 0.456 372 F N -0.226 119.689 119.950 -0.058 0.000 2.654 372 F HA 0.664 5.191 4.527 0.000 0.000 0.308 372 F C -1.053 174.728 175.800 -0.032 0.000 1.108 372 F CA -1.439 56.619 58.000 0.096 0.000 0.957 372 F CB 1.130 40.276 39.000 0.244 0.000 1.309 372 F HN 0.475 nan 8.300 nan 0.000 0.446 373 C N 3.793 123.261 119.300 0.280 0.000 2.608 373 C HA 0.826 5.286 4.460 0.000 0.000 0.325 373 C C -1.042 174.165 174.990 0.361 0.000 1.147 373 C CA -0.659 58.529 59.018 0.282 0.000 1.359 373 C CB 0.555 28.551 27.740 0.428 0.000 1.912 373 C HN 0.843 nan 8.230 nan 0.000 0.466 374 I N 6.273 127.050 120.570 0.345 0.000 2.339 374 I HA 0.413 4.583 4.170 0.000 0.000 0.290 374 I C -0.032 176.231 176.117 0.243 0.000 0.994 374 I CA -0.052 61.459 61.300 0.351 0.000 1.191 374 I CB 1.182 39.383 38.000 0.335 0.000 1.343 374 I HN 0.713 nan 8.210 nan 0.000 0.458 375 K N 5.208 125.750 120.400 0.237 0.000 2.281 375 K HA 0.465 4.785 4.320 0.000 0.000 0.242 375 K C -0.646 176.070 176.600 0.194 0.000 0.971 375 K CA -0.846 55.554 56.287 0.188 0.000 0.834 375 K CB 1.945 34.559 32.500 0.189 0.000 1.181 375 K HN 0.494 nan 8.250 nan 0.000 0.435 376 H N 3.254 122.361 119.070 0.062 0.000 2.723 376 H HA 0.163 4.719 4.556 0.000 0.000 0.294 376 H C 0.666 176.039 175.328 0.076 0.000 1.079 376 H CA -0.240 55.839 56.048 0.050 0.000 1.411 376 H CB 0.687 30.449 29.762 0.001 0.000 1.439 376 H HN 0.719 nan 8.280 nan 0.000 0.474 377 I N 4.247 124.712 120.570 -0.176 0.000 2.127 377 I HA -0.327 3.843 4.170 0.000 0.000 0.241 377 I C 2.596 178.652 176.117 -0.101 0.000 1.075 377 I CA 1.579 62.828 61.300 -0.084 0.000 1.334 377 I CB -0.317 37.662 38.000 -0.036 0.000 1.040 377 I HN 0.659 nan 8.210 nan 0.000 0.405 378 A N 0.199 122.863 122.820 -0.260 0.000 1.933 378 A HA -0.217 4.103 4.320 0.000 0.000 0.218 378 A C 2.281 179.911 177.584 0.075 0.000 1.175 378 A CA 2.466 54.472 52.037 -0.052 0.000 0.628 378 A CB -0.955 18.028 19.000 -0.028 0.000 0.814 378 A HN 0.553 nan 8.150 nan 0.000 0.444 379 T N -5.047 109.628 114.554 0.202 0.000 3.044 379 T HA 0.129 4.479 4.350 0.000 0.000 0.260 379 T C 0.533 175.328 174.700 0.158 0.000 1.019 379 T CA 0.414 62.636 62.100 0.202 0.000 0.921 379 T CB -0.271 68.736 68.868 0.232 0.000 1.053 379 T HN 0.436 nan 8.240 nan 0.000 0.533 380 N N 1.576 120.371 118.700 0.159 0.000 2.678 380 N HA -0.158 4.582 4.740 0.000 0.000 0.249 380 N C 0.280 175.871 175.510 0.134 0.000 1.119 380 N CA 0.852 53.995 53.050 0.156 0.000 0.718 380 N CB -1.518 37.076 38.487 0.178 0.000 1.060 380 N HN 0.877 nan 8.380 nan 0.000 0.552 381 A N 0.346 123.238 122.820 0.120 0.000 2.477 381 A HA 0.371 4.691 4.320 0.000 0.000 0.246 381 A C 0.707 178.311 177.584 0.032 0.000 1.078 381 A CA -0.102 51.954 52.037 0.033 0.000 0.770 381 A CB 0.904 19.885 19.000 -0.031 0.000 1.011 381 A HN 0.263 nan 8.150 nan 0.000 0.494 382 V N 5.107 124.999 119.914 -0.037 0.000 2.432 382 V HA 0.265 4.385 4.120 0.000 0.000 0.271 382 V C 0.591 176.606 176.094 -0.131 0.000 1.046 382 V CA -0.399 61.870 62.300 -0.052 0.000 0.945 382 V CB 0.576 32.337 31.823 -0.103 0.000 0.992 382 V HN 0.833 nan 8.190 nan 0.000 0.471 383 L N 6.953 128.099 121.223 -0.128 0.000 2.102 383 L HA 0.435 4.775 4.340 0.000 0.000 0.202 383 L C 0.336 176.820 176.870 -0.643 0.000 1.076 383 L CA 1.489 56.123 54.840 -0.344 0.000 0.761 383 L CB -0.650 41.305 42.059 -0.173 0.000 0.921 383 L HN 0.638 nan 8.230 nan 0.000 0.444 384 F N -2.676 117.201 119.950 -0.121 0.000 2.599 384 F HA 0.469 4.996 4.527 0.000 0.000 0.311 384 F C -0.660 174.995 175.800 -0.241 0.000 1.076 384 F CA -0.991 56.871 58.000 -0.230 0.000 0.937 384 F CB 1.914 40.845 39.000 -0.115 0.000 1.282 384 F HN -0.336 nan 8.300 nan 0.000 0.460 385 F N 0.882 120.544 119.950 -0.480 0.000 2.561 385 F HA 0.827 5.354 4.527 0.000 0.000 0.313 385 F C -0.405 174.964 175.800 -0.719 0.000 1.126 385 F CA -0.584 57.014 58.000 -0.669 0.000 0.918 385 F CB 1.883 40.381 39.000 -0.836 0.000 1.199 385 F HN 0.598 nan 8.300 nan 0.000 0.444 386 G N 4.297 112.030 108.800 -1.779 0.000 2.600 386 G HA2 0.514 4.474 3.960 0.000 0.000 0.293 386 G HA3 0.514 4.474 3.960 0.000 0.000 0.293 386 G C -2.241 172.044 174.900 -1.024 0.000 1.408 386 G CA -1.084 43.346 45.100 -1.116 0.000 0.782 386 G HN 0.689 nan 8.290 nan 0.000 0.482 387 R N -0.670 119.661 120.500 -0.281 0.000 2.476 387 R HA 0.505 4.845 4.340 0.000 0.000 0.305 387 R C -1.460 174.851 176.300 0.019 0.000 0.965 387 R CA -0.505 55.570 56.100 -0.042 0.000 0.867 387 R CB 1.339 31.752 30.300 0.189 0.000 1.176 387 R HN 0.607 nan 8.270 nan 0.000 0.447 388 C N 6.224 125.421 119.300 -0.172 0.000 2.225 388 C HA 0.397 4.857 4.460 0.000 0.000 0.323 388 C C 1.007 175.818 174.990 -0.298 0.000 1.164 388 C CA -0.426 58.361 59.018 -0.385 0.000 1.565 388 C CB -0.075 27.103 27.740 -0.937 0.000 2.124 388 C HN 0.777 nan 8.230 nan 0.000 0.461 389 V N 4.051 123.912 119.914 -0.087 0.000 3.085 389 V HA 0.242 4.362 4.120 0.000 0.000 0.245 389 V C 1.139 177.252 176.094 0.032 0.000 1.114 389 V CA 0.850 63.195 62.300 0.074 0.000 1.108 389 V CB 0.414 32.296 31.823 0.097 0.000 0.798 389 V HN 0.805 nan 8.190 nan 0.000 0.471 390 S N 1.188 116.802 115.700 -0.144 0.000 2.652 390 S HA 0.513 4.983 4.470 0.000 0.000 0.252 390 S C -2.615 171.791 174.600 -0.322 0.000 1.219 390 S CA -0.805 57.257 58.200 -0.230 0.000 1.151 390 S CB 1.696 64.841 63.200 -0.091 0.000 1.080 390 S HN 0.185 nan 8.310 nan 0.000 0.481 391 P HA 0.000 nan 4.420 nan 0.000 0.216 391 P CA 0.000 62.876 63.100 -0.374 0.000 0.800 391 P CB 0.000 31.453 31.700 -0.412 0.000 0.726