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 3m7c_1_A DATA FIRST_RESID 6 DATA SEQUENCE PFPLPTGYFG IPLGLAALSL AWFHLENLFP AARMVSDVLG IVASAVWILF DATA SEQUENCE ILMYAYKLRY YFEEVRAEYH SPVRFSFIAL IPITTMLVGD ILYRWNPLIA DATA SEQUENCE EVLIWIGTIG QLLFSTLRVS ELWQGGVFEQ KSTHPSFYLP AVAANFTSAS DATA SEQUENCE SLALLGYHDL GYLFFGAGMI AWIIFEPVLL QHLRISSLEP QFRATMGIVL DATA SEQUENCE APAFVCVSAY LSINHGEVDT LAKILWGYGF LQLFFLLRLF PWIVEKGLNI DATA SEQUENCE GLWAFSFGLA SMANSATAFY HGNVLQGVSI FAFVFSNVMI GLLVLMTIYK DATA SEQUENCE LTKG 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 6 P HA 0.000 nan 4.420 nan 0.000 0.216 6 P C 0.000 177.466 177.300 0.277 0.000 1.155 6 P CA 0.000 63.192 63.100 0.154 0.000 0.800 6 P CB 0.000 31.825 31.700 0.208 0.000 0.726 7 F N 0.130 120.041 119.950 -0.065 0.000 2.668 7 F HA 0.844 5.374 4.527 0.005 0.000 0.309 7 F C -2.976 172.522 175.800 -0.503 0.000 1.117 7 F CA -2.065 55.814 58.000 -0.202 0.000 0.951 7 F CB 1.485 40.379 39.000 -0.177 0.000 1.323 7 F HN -0.021 nan 8.300 nan 0.000 0.451 8 P HA 0.250 nan 4.420 nan 0.000 0.287 8 P C -0.806 176.286 177.300 -0.346 0.000 1.294 8 P CA -0.154 62.450 63.100 -0.827 0.000 0.776 8 P CB 1.723 33.000 31.700 -0.706 0.000 0.889 9 L N 7.204 128.178 121.223 -0.414 0.000 2.615 9 L HA 0.173 4.516 4.340 0.005 0.000 0.271 9 L C -2.265 174.600 176.870 -0.009 0.000 1.183 9 L CA -1.274 53.459 54.840 -0.178 0.000 0.933 9 L CB -0.692 41.230 42.059 -0.229 0.000 1.199 9 L HN 0.257 nan 8.230 nan 0.000 0.487 10 P HA 0.138 nan 4.420 nan 0.000 0.271 10 P C 0.483 177.909 177.300 0.210 0.000 1.226 10 P CA -0.073 63.117 63.100 0.149 0.000 0.765 10 P CB 0.643 32.485 31.700 0.237 0.000 0.835 11 T N 2.048 116.737 114.554 0.224 0.000 2.803 11 T HA -0.123 4.230 4.350 0.005 0.000 0.269 11 T C 2.061 176.924 174.700 0.272 0.000 1.052 11 T CA 1.811 64.100 62.100 0.315 0.000 1.136 11 T CB -0.732 68.311 68.868 0.292 0.000 0.864 11 T HN 0.605 nan 8.240 nan 0.000 0.467 12 G N -0.159 108.677 108.800 0.060 0.000 2.479 12 G HA2 -0.212 3.751 3.960 0.005 0.000 0.220 12 G HA3 -0.212 3.751 3.960 0.005 0.000 0.220 12 G C 1.097 176.006 174.900 0.014 0.000 1.115 12 G CA 0.297 45.374 45.100 -0.038 0.000 0.757 12 G HN 0.497 nan 8.290 nan 0.000 0.560 13 Y N -0.420 119.845 120.300 -0.057 0.000 2.403 13 Y HA 0.016 4.569 4.550 0.004 0.000 0.291 13 Y C 2.172 178.049 175.900 -0.038 0.000 1.143 13 Y CA 0.524 58.520 58.100 -0.172 0.000 1.257 13 Y CB -0.263 37.877 38.460 -0.535 0.000 0.984 13 Y HN 0.220 nan 8.280 nan 0.000 0.550 14 F N -0.742 119.304 119.950 0.162 0.000 2.373 14 F HA -0.154 4.376 4.527 0.006 0.000 0.300 14 F C 2.384 178.253 175.800 0.115 0.000 1.080 14 F CA 1.185 59.318 58.000 0.222 0.000 1.417 14 F CB -0.764 38.314 39.000 0.130 0.000 1.070 14 F HN 0.025 nan 8.300 nan 0.000 0.546 15 G N 0.154 109.081 108.800 0.212 0.000 2.448 15 G HA2 -0.200 3.763 3.960 0.005 0.000 0.219 15 G HA3 -0.200 3.763 3.960 0.005 0.000 0.219 15 G C 1.715 176.624 174.900 0.015 0.000 1.127 15 G CA 0.804 45.989 45.100 0.142 0.000 0.766 15 G HN 0.372 nan 8.290 nan 0.000 0.552 16 I N 1.544 121.979 120.570 -0.225 0.000 2.133 16 I HA -0.077 4.096 4.170 0.005 0.000 0.238 16 I C 0.069 175.956 176.117 -0.383 0.000 1.074 16 I CA 0.962 61.811 61.300 -0.750 0.000 1.342 16 I CB -0.887 36.582 38.000 -0.886 0.000 1.053 16 I HN 0.105 nan 8.210 nan 0.000 0.404 17 P HA -0.168 nan 4.420 nan 0.000 0.220 17 P C 2.031 179.315 177.300 -0.028 0.000 1.148 17 P CA 1.390 64.434 63.100 -0.094 0.000 0.803 17 P CB 0.006 31.696 31.700 -0.016 0.000 0.782 18 L N -0.024 121.196 121.223 -0.005 0.000 1.989 18 L HA -0.107 4.236 4.340 0.005 0.000 0.211 18 L C 2.546 179.366 176.870 -0.082 0.000 1.071 18 L CA 2.307 57.088 54.840 -0.099 0.000 0.749 18 L CB -1.298 40.664 42.059 -0.162 0.000 0.890 18 L HN 0.006 nan 8.230 nan 0.000 0.431 19 G N -0.303 108.535 108.800 0.062 0.000 2.418 19 G HA2 -0.236 3.727 3.960 0.005 0.000 0.217 19 G HA3 -0.236 3.727 3.960 0.005 0.000 0.217 19 G C 1.542 176.566 174.900 0.206 0.000 1.158 19 G CA 0.884 46.117 45.100 0.223 0.000 0.771 19 G HN 0.374 nan 8.290 nan 0.000 0.545 20 L N 0.549 121.876 121.223 0.172 0.000 2.093 20 L HA -0.022 4.321 4.340 0.005 0.000 0.208 20 L C 3.395 180.305 176.870 0.067 0.000 1.085 20 L CA 0.945 55.862 54.840 0.128 0.000 0.755 20 L CB -0.395 41.704 42.059 0.067 0.000 0.904 20 L HN 0.312 nan 8.230 nan 0.000 0.435 21 A N 0.135 122.963 122.820 0.013 0.000 1.873 21 A HA -0.134 4.189 4.320 0.005 0.000 0.215 21 A C 2.548 180.132 177.584 0.000 0.000 1.186 21 A CA 1.611 53.632 52.037 -0.026 0.000 0.616 21 A CB -0.713 18.232 19.000 -0.092 0.000 0.823 21 A HN 0.375 nan 8.150 nan 0.000 0.442 22 A N -0.695 122.137 122.820 0.019 0.000 1.940 22 A HA -0.064 4.259 4.320 0.005 0.000 0.219 22 A C 2.121 179.781 177.584 0.126 0.000 1.176 22 A CA 1.788 53.873 52.037 0.079 0.000 0.631 22 A CB -0.549 18.528 19.000 0.129 0.000 0.814 22 A HN 0.611 nan 8.150 nan 0.000 0.446 23 L N -0.373 120.935 121.223 0.142 0.000 2.109 23 L HA -0.046 4.297 4.340 0.005 0.000 0.207 23 L C 2.629 179.671 176.870 0.288 0.000 1.086 23 L CA 2.234 57.196 54.840 0.202 0.000 0.760 23 L CB -0.643 41.533 42.059 0.195 0.000 0.910 23 L HN 0.378 nan 8.230 nan 0.000 0.437 24 S N -0.754 115.053 115.700 0.178 0.000 2.370 24 S HA -0.206 4.267 4.470 0.005 0.000 0.226 24 S C 2.044 176.738 174.600 0.156 0.000 1.033 24 S CA 1.789 60.082 58.200 0.156 0.000 1.011 24 S CB -0.402 62.826 63.200 0.047 0.000 0.852 24 S HN 0.494 nan 8.310 nan 0.000 0.457 25 L N 0.969 122.227 121.223 0.058 0.000 2.141 25 L HA -0.022 4.321 4.340 0.005 0.000 0.209 25 L C 2.975 179.834 176.870 -0.018 0.000 1.094 25 L CA 1.041 55.847 54.840 -0.057 0.000 0.763 25 L CB -0.719 41.302 42.059 -0.063 0.000 0.908 25 L HN 0.427 nan 8.230 nan 0.000 0.437 26 A N -0.310 122.613 122.820 0.172 0.000 1.877 26 A HA -0.234 4.089 4.320 0.005 0.000 0.216 26 A C 1.916 179.664 177.584 0.273 0.000 1.186 26 A CA 1.589 53.777 52.037 0.251 0.000 0.620 26 A CB -1.020 18.104 19.000 0.208 0.000 0.822 26 A HN 0.491 nan 8.150 nan 0.000 0.443 27 W N -1.436 120.009 121.300 0.242 0.000 2.363 27 W HA -0.089 4.574 4.660 0.005 0.000 0.296 27 W C 1.975 178.568 176.519 0.123 0.000 1.212 27 W CA 1.051 58.544 57.345 0.246 0.000 1.260 27 W CB -0.575 29.008 29.460 0.206 0.000 1.131 27 W HN 0.426 nan 8.180 nan 0.000 0.530 28 F N 0.348 120.363 119.950 0.109 0.000 2.120 28 F HA -0.274 4.256 4.527 0.004 0.000 0.300 28 F C 2.121 177.883 175.800 -0.063 0.000 1.095 28 F CA 2.215 60.172 58.000 -0.071 0.000 1.249 28 F CB -0.754 38.089 39.000 -0.262 0.000 0.995 28 F HN -0.018 nan 8.300 nan 0.000 0.480 29 H N -0.785 118.377 119.070 0.154 0.000 2.563 29 H HA 0.058 4.617 4.556 0.005 0.000 0.272 29 H C 1.766 177.066 175.328 -0.048 0.000 1.005 29 H CA 0.416 56.476 56.048 0.020 0.000 1.171 29 H CB -0.025 29.783 29.762 0.077 0.000 1.351 29 H HN 0.303 nan 8.280 nan 0.000 0.602 30 L N 0.732 121.986 121.223 0.051 0.000 2.607 30 L HA -0.010 4.333 4.340 0.005 0.000 0.228 30 L C 2.111 178.993 176.870 0.019 0.000 1.123 30 L CA 0.172 55.016 54.840 0.005 0.000 0.890 30 L CB 0.019 42.045 42.059 -0.056 0.000 1.103 30 L HN 0.478 nan 8.230 nan 0.000 0.468 31 E N -0.241 119.915 120.200 -0.073 0.000 2.118 31 E HA -0.240 4.113 4.350 0.005 0.000 0.195 31 E C 1.211 177.775 176.600 -0.060 0.000 0.992 31 E CA 1.349 57.680 56.400 -0.115 0.000 0.804 31 E CB -0.164 29.370 29.700 -0.276 0.000 0.741 31 E HN 0.355 nan 8.360 nan 0.000 0.458 32 N N 0.141 118.817 118.700 -0.040 0.000 2.467 32 N HA 0.072 4.815 4.740 0.005 0.000 0.184 32 N C 1.506 177.063 175.510 0.078 0.000 1.106 32 N CA 0.496 53.554 53.050 0.013 0.000 0.892 32 N CB 0.237 38.734 38.487 0.016 0.000 0.969 32 N HN 0.304 nan 8.380 nan 0.000 0.454 33 L N -1.572 119.716 121.223 0.108 0.000 2.253 33 L HA 0.196 4.539 4.340 0.005 0.000 0.205 33 L C -0.124 176.864 176.870 0.197 0.000 1.078 33 L CA 0.385 55.310 54.840 0.142 0.000 0.805 33 L CB 0.253 42.393 42.059 0.136 0.000 0.963 33 L HN -0.021 nan 8.230 nan 0.000 0.459 34 F N 0.689 120.633 119.950 -0.010 0.000 2.959 34 F HA 0.423 4.952 4.527 0.003 0.000 0.379 34 F C -2.345 173.471 175.800 0.027 0.000 1.215 34 F CA -2.986 55.016 58.000 0.004 0.000 1.190 34 F CB 0.869 39.859 39.000 -0.017 0.000 1.574 34 F HN -0.223 nan 8.300 nan 0.000 0.575 35 P HA -0.209 nan 4.420 nan 0.000 0.217 35 P C 1.531 178.616 177.300 -0.357 0.000 1.151 35 P CA 2.347 65.333 63.100 -0.191 0.000 0.849 35 P CB 0.174 31.818 31.700 -0.093 0.000 0.787 36 A N -0.343 122.063 122.820 -0.690 0.000 2.125 36 A HA -0.064 4.259 4.320 0.005 0.000 0.219 36 A C 2.229 179.499 177.584 -0.522 0.000 1.156 36 A CA 1.629 53.286 52.037 -0.633 0.000 0.671 36 A CB -1.372 17.206 19.000 -0.704 0.000 0.794 36 A HN 0.214 nan 8.150 nan 0.000 0.459 37 A N -0.010 122.491 122.820 -0.531 0.000 2.019 37 A HA -0.128 4.195 4.320 0.005 0.000 0.219 37 A C 2.118 179.744 177.584 0.071 0.000 1.164 37 A CA 1.904 53.992 52.037 0.084 0.000 0.644 37 A CB -0.389 18.805 19.000 0.324 0.000 0.805 37 A HN 0.461 nan 8.150 nan 0.000 0.449 38 R N -0.568 119.900 120.500 -0.053 0.000 2.081 38 R HA -0.125 4.218 4.340 0.005 0.000 0.235 38 R C 1.955 178.262 176.300 0.010 0.000 1.131 38 R CA 2.195 58.287 56.100 -0.012 0.000 0.960 38 R CB -0.689 29.579 30.300 -0.053 0.000 0.856 38 R HN 0.462 nan 8.270 nan 0.000 0.436 39 M N -0.412 119.159 119.600 -0.047 0.000 2.117 39 M HA -0.080 4.403 4.480 0.005 0.000 0.262 39 M C 1.746 177.997 176.300 -0.082 0.000 1.065 39 M CA 1.645 56.920 55.300 -0.041 0.000 1.114 39 M CB -0.347 32.213 32.600 -0.066 0.000 1.361 39 M HN 0.023 nan 8.290 nan 0.000 0.408 40 V N -0.608 119.195 119.914 -0.185 0.000 2.295 40 V HA -0.255 3.868 4.120 0.005 0.000 0.246 40 V C 2.540 178.475 176.094 -0.266 0.000 1.049 40 V CA 2.071 64.143 62.300 -0.380 0.000 1.024 40 V CB -1.396 29.892 31.823 -0.892 0.000 0.648 40 V HN 0.697 nan 8.190 nan 0.000 0.447 41 S N -0.278 115.385 115.700 -0.062 0.000 2.359 41 S HA -0.254 4.219 4.470 0.005 0.000 0.224 41 S C 1.783 176.430 174.600 0.079 0.000 1.035 41 S CA 1.996 60.252 58.200 0.095 0.000 1.018 41 S CB -0.466 62.888 63.200 0.256 0.000 0.876 41 S HN 0.652 nan 8.310 nan 0.000 0.448 42 D N 0.549 121.015 120.400 0.110 0.000 2.117 42 D HA -0.052 4.591 4.640 0.005 0.000 0.197 42 D C 2.108 178.512 176.300 0.173 0.000 0.987 42 D CA 1.085 55.222 54.000 0.229 0.000 0.829 42 D CB -0.622 40.357 40.800 0.299 0.000 0.961 42 D HN 0.299 nan 8.370 nan 0.000 0.460 43 V N 0.995 120.943 119.914 0.056 0.000 2.295 43 V HA -0.214 3.909 4.120 0.005 0.000 0.246 43 V C 2.673 178.772 176.094 0.009 0.000 1.049 43 V CA 1.155 63.462 62.300 0.013 0.000 1.024 43 V CB -0.492 31.304 31.823 -0.045 0.000 0.648 43 V HN 0.196 nan 8.190 nan 0.000 0.447 44 L N 0.323 121.533 121.223 -0.021 0.000 2.042 44 L HA -0.138 4.205 4.340 0.005 0.000 0.210 44 L C 2.603 179.493 176.870 0.033 0.000 1.076 44 L CA 1.830 56.668 54.840 -0.004 0.000 0.749 44 L CB -1.089 40.959 42.059 -0.017 0.000 0.893 44 L HN 0.490 nan 8.230 nan 0.000 0.432 45 G N -0.036 108.802 108.800 0.063 0.000 2.402 45 G HA2 -0.191 3.772 3.960 0.005 0.000 0.216 45 G HA3 -0.191 3.772 3.960 0.005 0.000 0.216 45 G C 1.583 176.554 174.900 0.120 0.000 1.162 45 G CA 0.569 45.718 45.100 0.081 0.000 0.777 45 G HN 0.276 nan 8.290 nan 0.000 0.539 46 I N 0.334 120.989 120.570 0.142 0.000 2.202 46 I HA -0.142 4.031 4.170 0.005 0.000 0.242 46 I C 2.776 178.909 176.117 0.027 0.000 1.091 46 I CA 0.462 61.810 61.300 0.079 0.000 1.368 46 I CB -0.213 37.805 38.000 0.030 0.000 1.058 46 I HN 0.019 nan 8.210 nan 0.000 0.410 47 V N 1.065 120.986 119.914 0.011 0.000 2.295 47 V HA -0.313 3.810 4.120 0.005 0.000 0.246 47 V C 2.728 178.803 176.094 -0.032 0.000 1.049 47 V CA 2.063 64.352 62.300 -0.018 0.000 1.024 47 V CB -1.106 30.707 31.823 -0.017 0.000 0.648 47 V HN 0.499 nan 8.190 nan 0.000 0.447 48 A N -0.291 122.520 122.820 -0.014 0.000 1.883 48 A HA -0.224 4.099 4.320 0.005 0.000 0.217 48 A C 2.486 180.076 177.584 0.009 0.000 1.186 48 A CA 2.363 54.383 52.037 -0.028 0.000 0.624 48 A CB -0.778 18.209 19.000 -0.021 0.000 0.822 48 A HN 0.514 nan 8.150 nan 0.000 0.444 49 S N -0.154 115.568 115.700 0.038 0.000 2.382 49 S HA -0.040 4.433 4.470 0.005 0.000 0.228 49 S C 2.281 176.981 174.600 0.167 0.000 1.027 49 S CA 1.189 59.458 58.200 0.114 0.000 0.991 49 S CB -0.457 62.800 63.200 0.095 0.000 0.823 49 S HN 0.803 nan 8.310 nan 0.000 0.469 50 A N 1.114 123.963 122.820 0.048 0.000 1.898 50 A HA -0.024 4.299 4.320 0.005 0.000 0.216 50 A C 2.336 179.866 177.584 -0.090 0.000 1.181 50 A CA 1.418 53.452 52.037 -0.005 0.000 0.620 50 A CB -0.859 18.118 19.000 -0.038 0.000 0.819 50 A HN 0.342 nan 8.150 nan 0.000 0.442 51 V N -1.968 117.840 119.914 -0.177 0.000 2.343 51 V HA -0.258 3.865 4.120 0.005 0.000 0.247 51 V C 2.186 177.962 176.094 -0.531 0.000 1.051 51 V CA 1.861 63.874 62.300 -0.478 0.000 1.036 51 V CB -1.005 30.486 31.823 -0.553 0.000 0.654 51 V HN 0.868 nan 8.190 nan 0.000 0.451 52 W N 0.769 121.858 121.300 -0.351 0.000 2.335 52 W HA -0.204 4.458 4.660 0.004 0.000 0.311 52 W C 2.175 178.671 176.519 -0.037 0.000 1.213 52 W CA 1.899 59.156 57.345 -0.146 0.000 1.274 52 W CB -0.314 29.134 29.460 -0.020 0.000 1.148 52 W HN 0.190 nan 8.180 nan 0.000 0.498 53 I N 0.357 120.895 120.570 -0.053 0.000 2.151 53 I HA -0.337 3.836 4.170 0.005 0.000 0.243 53 I C 2.450 178.434 176.117 -0.223 0.000 1.080 53 I CA 1.609 62.762 61.300 -0.244 0.000 1.339 53 I CB -0.938 37.048 38.000 -0.022 0.000 1.039 53 I HN 0.118 nan 8.210 nan 0.000 0.409 54 L N 0.164 121.287 121.223 -0.166 0.000 2.046 54 L HA -0.197 4.146 4.340 0.005 0.000 0.208 54 L C 2.193 179.082 176.870 0.032 0.000 1.077 54 L CA 1.978 56.767 54.840 -0.084 0.000 0.747 54 L CB -0.673 41.325 42.059 -0.101 0.000 0.896 54 L HN 0.033 nan 8.230 nan 0.000 0.432 55 F N -0.448 119.324 119.950 -0.297 0.000 2.206 55 F HA -0.116 4.414 4.527 0.005 0.000 0.298 55 F C 2.501 178.194 175.800 -0.178 0.000 1.090 55 F CA 0.426 58.170 58.000 -0.426 0.000 1.323 55 F CB -0.936 37.473 39.000 -0.984 0.000 1.028 55 F HN 0.043 nan 8.300 nan 0.000 0.492 56 I N -0.050 120.507 120.570 -0.021 0.000 2.163 56 I HA -0.296 3.877 4.170 0.005 0.000 0.243 56 I C 2.503 178.647 176.117 0.045 0.000 1.085 56 I CA 1.364 62.653 61.300 -0.018 0.000 1.347 56 I CB -1.287 36.412 38.000 -0.502 0.000 1.044 56 I HN 0.143 nan 8.210 nan 0.000 0.408 57 L N -0.515 120.695 121.223 -0.020 0.000 2.046 57 L HA -0.210 4.133 4.340 0.005 0.000 0.208 57 L C 2.685 179.596 176.870 0.068 0.000 1.077 57 L CA 1.264 56.116 54.840 0.021 0.000 0.747 57 L CB -0.400 41.651 42.059 -0.013 0.000 0.896 57 L HN 0.204 nan 8.230 nan 0.000 0.432 58 M N -1.956 117.666 119.600 0.038 0.000 2.229 58 M HA -0.233 4.250 4.480 0.005 0.000 0.264 58 M C 2.253 178.588 176.300 0.057 0.000 1.063 58 M CA 1.756 57.035 55.300 -0.036 0.000 1.114 58 M CB -0.368 32.143 32.600 -0.148 0.000 1.387 58 M HN 0.144 nan 8.290 nan 0.000 0.420 59 Y N 0.563 120.900 120.300 0.061 0.000 2.314 59 Y HA -0.066 4.487 4.550 0.005 0.000 0.293 59 Y C 2.413 178.379 175.900 0.109 0.000 1.129 59 Y CA 1.242 59.411 58.100 0.115 0.000 1.201 59 Y CB -0.137 38.460 38.460 0.229 0.000 0.999 59 Y HN 0.166 nan 8.280 nan 0.000 0.541 60 A N -0.821 122.115 122.820 0.193 0.000 1.902 60 A HA -0.256 4.067 4.320 0.005 0.000 0.217 60 A C 2.048 179.690 177.584 0.097 0.000 1.181 60 A CA 1.683 53.791 52.037 0.119 0.000 0.623 60 A CB -1.401 17.660 19.000 0.102 0.000 0.818 60 A HN 0.679 nan 8.150 nan 0.000 0.443 61 Y N 0.383 120.696 120.300 0.022 0.000 2.181 61 Y HA -0.207 4.346 4.550 0.006 0.000 0.288 61 Y C 2.428 178.402 175.900 0.123 0.000 1.146 61 Y CA 2.319 60.482 58.100 0.105 0.000 1.164 61 Y CB -0.130 38.372 38.460 0.069 0.000 0.982 61 Y HN 0.288 nan 8.280 nan 0.000 0.515 62 K N 0.167 120.658 120.400 0.152 0.000 2.063 62 K HA -0.210 4.113 4.320 0.005 0.000 0.208 62 K C 1.977 178.560 176.600 -0.029 0.000 1.048 62 K CA 1.885 58.180 56.287 0.014 0.000 0.928 62 K CB -0.376 31.903 32.500 -0.368 0.000 0.713 62 K HN 0.408 nan 8.250 nan 0.000 0.442 63 L N 0.317 121.466 121.223 -0.122 0.000 2.093 63 L HA -0.154 4.189 4.340 0.005 0.000 0.208 63 L C 2.670 179.541 176.870 0.003 0.000 1.085 63 L CA 0.900 55.754 54.840 0.023 0.000 0.755 63 L CB -0.268 41.818 42.059 0.045 0.000 0.904 63 L HN 0.127 nan 8.230 nan 0.000 0.435 64 R N -0.380 120.008 120.500 -0.187 0.000 2.075 64 R HA -0.129 4.214 4.340 0.005 0.000 0.226 64 R C 1.431 177.316 176.300 -0.690 0.000 1.114 64 R CA 1.783 57.572 56.100 -0.520 0.000 0.972 64 R CB -0.340 29.503 30.300 -0.761 0.000 0.869 64 R HN 0.320 nan 8.270 nan 0.000 0.437 65 Y N -2.548 117.613 120.300 -0.232 0.000 2.445 65 Y HA 0.282 4.835 4.550 0.005 0.000 0.247 65 Y C -0.125 175.551 175.900 -0.373 0.000 1.129 65 Y CA -0.254 57.635 58.100 -0.351 0.000 1.251 65 Y CB 0.575 38.665 38.460 -0.616 0.000 1.176 65 Y HN -0.051 nan 8.280 nan 0.000 0.522 66 Y N -1.831 118.481 120.300 0.021 0.000 2.658 66 Y HA 0.148 4.701 4.550 0.005 0.000 0.273 66 Y C 1.029 176.935 175.900 0.010 0.000 0.992 66 Y CA -1.082 57.032 58.100 0.024 0.000 1.105 66 Y CB -0.323 38.138 38.460 0.001 0.000 1.188 66 Y HN 0.038 nan 8.280 nan 0.000 0.616 67 F N 1.422 121.377 119.950 0.008 0.000 2.126 67 F HA -0.186 4.344 4.527 0.005 0.000 0.299 67 F C 1.971 177.791 175.800 0.034 0.000 1.096 67 F CA 1.890 59.881 58.000 -0.015 0.000 1.255 67 F CB 0.292 39.257 39.000 -0.058 0.000 0.997 67 F HN 0.087 nan 8.300 nan 0.000 0.479 68 E N 0.418 120.651 120.200 0.056 0.000 2.209 68 E HA -0.218 4.135 4.350 0.005 0.000 0.196 68 E C 1.947 178.530 176.600 -0.029 0.000 0.993 68 E CA 1.406 57.806 56.400 0.001 0.000 0.819 68 E CB -0.337 29.412 29.700 0.082 0.000 0.745 68 E HN 0.538 nan 8.360 nan 0.000 0.477 69 E N 0.074 120.281 120.200 0.011 0.000 2.107 69 E HA -0.074 4.279 4.350 0.005 0.000 0.191 69 E C 2.218 178.805 176.600 -0.022 0.000 0.982 69 E CA 0.472 56.894 56.400 0.036 0.000 0.809 69 E CB -0.169 29.587 29.700 0.093 0.000 0.756 69 E HN 0.023 nan 8.360 nan 0.000 0.459 70 V N 0.837 120.666 119.914 -0.141 0.000 2.307 70 V HA -0.217 3.906 4.120 0.005 0.000 0.245 70 V C 2.421 178.405 176.094 -0.182 0.000 1.045 70 V CA 1.819 64.021 62.300 -0.163 0.000 1.024 70 V CB -0.440 31.199 31.823 -0.307 0.000 0.651 70 V HN 0.206 nan 8.190 nan 0.000 0.449 71 R N 0.315 120.565 120.500 -0.417 0.000 2.096 71 R HA -0.218 4.125 4.340 0.005 0.000 0.240 71 R C 2.273 178.625 176.300 0.086 0.000 1.139 71 R CA 1.928 57.896 56.100 -0.221 0.000 0.952 71 R CB -0.452 29.729 30.300 -0.199 0.000 0.854 71 R HN 0.497 nan 8.270 nan 0.000 0.436 72 A N 1.618 124.489 122.820 0.084 0.000 1.898 72 A HA -0.213 4.110 4.320 0.005 0.000 0.216 72 A C 1.971 179.661 177.584 0.176 0.000 1.181 72 A CA 1.669 53.798 52.037 0.153 0.000 0.620 72 A CB -0.547 18.522 19.000 0.114 0.000 0.819 72 A HN 0.719 nan 8.150 nan 0.000 0.442 73 E N -1.619 118.680 120.200 0.165 0.000 2.077 73 E HA -0.280 4.073 4.350 0.005 0.000 0.193 73 E C 1.946 178.703 176.600 0.262 0.000 0.989 73 E CA 1.526 58.057 56.400 0.218 0.000 0.800 73 E CB -0.656 29.181 29.700 0.229 0.000 0.746 73 E HN 0.678 nan 8.360 nan 0.000 0.452 74 Y N 1.521 121.877 120.300 0.093 0.000 2.145 74 Y HA -0.227 4.325 4.550 0.005 0.000 0.286 74 Y C 2.139 178.014 175.900 -0.042 0.000 1.145 74 Y CA 2.177 60.302 58.100 0.042 0.000 1.148 74 Y CB -0.114 38.259 38.460 -0.145 0.000 0.981 74 Y HN 0.135 nan 8.280 nan 0.000 0.507 75 H N -0.920 118.234 119.070 0.141 0.000 2.548 75 H HA 0.100 4.659 4.556 0.005 0.000 0.268 75 H C 0.965 176.292 175.328 -0.001 0.000 0.975 75 H CA 0.808 56.864 56.048 0.013 0.000 1.195 75 H CB -0.252 29.571 29.762 0.103 0.000 1.397 75 H HN 0.141 nan 8.280 nan 0.000 0.572 76 S N 3.073 118.876 115.700 0.171 0.000 2.533 76 S HA 0.023 4.496 4.470 0.005 0.000 0.282 76 S C -1.234 173.483 174.600 0.195 0.000 1.304 76 S CA -1.252 57.045 58.200 0.162 0.000 1.063 76 S CB 1.100 64.409 63.200 0.183 0.000 0.881 76 S HN 0.131 nan 8.310 nan 0.000 0.493 77 P HA 0.003 nan 4.420 nan 0.000 0.234 77 P C 1.006 178.512 177.300 0.344 0.000 1.167 77 P CA 0.437 63.673 63.100 0.226 0.000 0.763 77 P CB 0.136 31.920 31.700 0.141 0.000 0.835 78 V N 0.278 120.280 119.914 0.147 0.000 2.743 78 V HA 0.098 4.221 4.120 0.005 0.000 0.237 78 V C 2.547 178.667 176.094 0.044 0.000 1.113 78 V CA 0.886 63.179 62.300 -0.012 0.000 1.141 78 V CB -0.618 31.049 31.823 -0.261 0.000 0.873 78 V HN -0.030 nan 8.190 nan 0.000 0.486 79 R N 0.546 121.160 120.500 0.189 0.000 2.280 79 R HA -0.045 4.298 4.340 0.005 0.000 0.207 79 R C 2.230 178.683 176.300 0.254 0.000 1.043 79 R CA 1.375 57.661 56.100 0.311 0.000 1.006 79 R CB -0.430 30.064 30.300 0.323 0.000 0.885 79 R HN 0.714 nan 8.270 nan 0.000 0.467 80 F N 0.319 120.334 119.950 0.109 0.000 2.202 80 F HA -0.082 4.448 4.527 0.005 0.000 0.301 80 F C 1.909 177.815 175.800 0.176 0.000 1.082 80 F CA 0.891 58.964 58.000 0.121 0.000 1.313 80 F CB -0.562 38.392 39.000 -0.077 0.000 1.024 80 F HN -0.226 nan 8.300 nan 0.000 0.495 81 S N 0.854 115.896 115.700 -1.098 0.000 2.400 81 S HA -0.160 4.313 4.470 0.005 0.000 0.232 81 S C 1.567 175.855 174.600 -0.521 0.000 1.025 81 S CA 1.607 59.199 58.200 -1.013 0.000 0.993 81 S CB -0.803 61.745 63.200 -1.086 0.000 0.808 81 S HN 0.451 nan 8.310 nan 0.000 0.478 82 F N 1.345 121.214 119.950 -0.134 0.000 2.365 82 F HA 0.080 4.610 4.527 0.005 0.000 0.300 82 F C 1.872 177.588 175.800 -0.139 0.000 1.090 82 F CA 0.201 58.163 58.000 -0.064 0.000 1.408 82 F CB -0.730 38.286 39.000 0.027 0.000 1.060 82 F HN 0.169 nan 8.300 nan 0.000 0.534 83 I N 0.015 120.558 120.570 -0.045 0.000 2.454 83 I HA -0.302 3.871 4.170 0.005 0.000 0.254 83 I C 2.547 178.328 176.117 -0.561 0.000 1.156 83 I CA 1.031 62.146 61.300 -0.309 0.000 1.433 83 I CB -0.674 37.176 38.000 -0.251 0.000 1.082 83 I HN 0.121 nan 8.210 nan 0.000 0.432 84 A N 0.881 123.402 122.820 -0.499 0.000 2.070 84 A HA -0.127 4.196 4.320 0.005 0.000 0.220 84 A C 2.242 179.674 177.584 -0.253 0.000 1.159 84 A CA 1.088 52.883 52.037 -0.403 0.000 0.656 84 A CB -0.708 18.183 19.000 -0.183 0.000 0.800 84 A HN 0.423 nan 8.150 nan 0.000 0.453 85 L N -0.629 120.477 121.223 -0.194 0.000 2.127 85 L HA -0.227 4.116 4.340 0.005 0.000 0.211 85 L C 2.337 179.040 176.870 -0.278 0.000 1.089 85 L CA 1.144 55.908 54.840 -0.127 0.000 0.757 85 L CB -0.624 41.457 42.059 0.037 0.000 0.899 85 L HN 0.417 nan 8.230 nan 0.000 0.434 86 I N 0.091 120.332 120.570 -0.548 0.000 2.113 86 I HA -0.181 3.992 4.170 0.005 0.000 0.238 86 I C -0.216 175.751 176.117 -0.249 0.000 1.070 86 I CA 1.394 62.289 61.300 -0.676 0.000 1.332 86 I CB -1.611 35.856 38.000 -0.889 0.000 1.044 86 I HN 0.205 nan 8.210 nan 0.000 0.402 87 P HA -0.099 nan 4.420 nan 0.000 0.221 87 P C 1.895 179.142 177.300 -0.087 0.000 1.150 87 P CA 1.523 64.561 63.100 -0.104 0.000 0.800 87 P CB -0.034 31.601 31.700 -0.108 0.000 0.787 88 I N 0.676 121.187 120.570 -0.097 0.000 2.179 88 I HA -0.221 3.952 4.170 0.005 0.000 0.242 88 I C 2.612 178.668 176.117 -0.102 0.000 1.088 88 I CA 2.365 63.621 61.300 -0.074 0.000 1.357 88 I CB -1.322 36.652 38.000 -0.044 0.000 1.051 88 I HN 0.089 nan 8.210 nan 0.000 0.409 89 T N -2.595 111.920 114.554 -0.065 0.000 2.867 89 T HA -0.140 4.213 4.350 0.005 0.000 0.268 89 T C 1.807 176.348 174.700 -0.265 0.000 1.057 89 T CA 1.752 63.815 62.100 -0.061 0.000 1.136 89 T CB -0.849 68.160 68.868 0.235 0.000 0.874 89 T HN 0.223 nan 8.240 nan 0.000 0.466 90 T N 2.193 116.680 114.554 -0.112 0.000 2.708 90 T HA 0.032 4.385 4.350 0.005 0.000 0.266 90 T C 2.024 176.535 174.700 -0.314 0.000 1.037 90 T CA 1.603 63.568 62.100 -0.225 0.000 1.146 90 T CB -0.429 68.517 68.868 0.130 0.000 0.865 90 T HN 0.370 nan 8.240 nan 0.000 0.435 91 M N 0.403 119.880 119.600 -0.205 0.000 2.117 91 M HA -0.004 4.479 4.480 0.005 0.000 0.262 91 M C 2.245 178.403 176.300 -0.237 0.000 1.065 91 M CA 1.526 56.700 55.300 -0.210 0.000 1.114 91 M CB -0.602 31.893 32.600 -0.176 0.000 1.361 91 M HN 0.202 nan 8.290 nan 0.000 0.408 92 L N -0.710 120.372 121.223 -0.235 0.000 2.056 92 L HA -0.167 4.176 4.340 0.005 0.000 0.207 92 L C 2.443 179.149 176.870 -0.274 0.000 1.078 92 L CA 0.761 55.471 54.840 -0.217 0.000 0.749 92 L CB -0.704 41.247 42.059 -0.180 0.000 0.901 92 L HN 0.115 nan 8.230 nan 0.000 0.433 93 V N 0.357 120.023 119.914 -0.413 0.000 2.332 93 V HA -0.237 3.886 4.120 0.005 0.000 0.248 93 V C 2.672 178.563 176.094 -0.337 0.000 1.055 93 V CA 2.037 64.054 62.300 -0.471 0.000 1.038 93 V CB -1.350 29.895 31.823 -0.963 0.000 0.651 93 V HN 0.582 nan 8.190 nan 0.000 0.450 94 G N -0.052 108.554 108.800 -0.323 0.000 2.476 94 G HA2 -0.309 3.654 3.960 0.005 0.000 0.218 94 G HA3 -0.309 3.654 3.960 0.005 0.000 0.218 94 G C 1.228 176.041 174.900 -0.145 0.000 1.164 94 G CA 1.255 46.244 45.100 -0.185 0.000 0.768 94 G HN 0.520 nan 8.290 nan 0.000 0.560 95 D N 0.557 120.837 120.400 -0.200 0.000 2.117 95 D HA -0.078 4.565 4.640 0.005 0.000 0.197 95 D C 2.542 178.683 176.300 -0.264 0.000 0.987 95 D CA 0.529 54.394 54.000 -0.225 0.000 0.829 95 D CB -0.248 40.416 40.800 -0.227 0.000 0.961 95 D HN 0.400 nan 8.370 nan 0.000 0.460 96 I N 0.609 121.021 120.570 -0.264 0.000 2.127 96 I HA -0.244 3.929 4.170 0.005 0.000 0.241 96 I C 2.352 178.279 176.117 -0.317 0.000 1.075 96 I CA 0.854 61.959 61.300 -0.324 0.000 1.334 96 I CB -0.183 37.702 38.000 -0.192 0.000 1.040 96 I HN -0.030 nan 8.210 nan 0.000 0.405 97 L N -0.784 120.373 121.223 -0.110 0.000 2.275 97 L HA -0.227 4.116 4.340 0.005 0.000 0.215 97 L C 2.540 179.407 176.870 -0.005 0.000 1.119 97 L CA 0.938 55.810 54.840 0.054 0.000 0.790 97 L CB -0.728 41.387 42.059 0.094 0.000 0.919 97 L HN 0.285 nan 8.230 nan 0.000 0.443 98 Y N 1.936 122.119 120.300 -0.196 0.000 2.241 98 Y HA -0.306 4.247 4.550 0.005 0.000 0.286 98 Y C 2.784 178.555 175.900 -0.215 0.000 1.166 98 Y CA 1.790 59.786 58.100 -0.174 0.000 1.203 98 Y CB -0.162 38.175 38.460 -0.205 0.000 0.977 98 Y HN 0.204 nan 8.280 nan 0.000 0.529 99 R N -1.546 118.754 120.500 -0.334 0.000 2.237 99 R HA -0.145 4.198 4.340 0.005 0.000 0.219 99 R C 1.250 177.319 176.300 -0.384 0.000 1.080 99 R CA 1.488 57.323 56.100 -0.443 0.000 0.995 99 R CB -0.682 29.167 30.300 -0.752 0.000 0.875 99 R HN 0.381 nan 8.270 nan 0.000 0.462 100 W N -0.043 121.206 121.300 -0.085 0.000 2.893 100 W HA 0.318 4.980 4.660 0.004 0.000 0.253 100 W C 0.325 176.784 176.519 -0.099 0.000 1.171 100 W CA -0.415 56.888 57.345 -0.069 0.000 1.480 100 W CB 0.117 29.550 29.460 -0.045 0.000 0.963 100 W HN 0.018 nan 8.180 nan 0.000 0.637 101 N N 0.347 119.096 118.700 0.081 0.000 2.732 101 N HA 0.168 4.911 4.740 0.005 0.000 0.247 101 N C -2.477 172.980 175.510 -0.088 0.000 1.305 101 N CA -1.251 51.804 53.050 0.008 0.000 0.762 101 N CB 1.700 40.229 38.487 0.070 0.000 1.361 101 N HN -0.329 nan 8.380 nan 0.000 0.545 102 P HA -0.025 nan 4.420 nan 0.000 0.220 102 P C 1.610 178.899 177.300 -0.018 0.000 1.148 102 P CA 0.750 63.657 63.100 -0.323 0.000 0.803 102 P CB 0.604 32.004 31.700 -0.500 0.000 0.782 103 L N -1.443 119.783 121.223 0.005 0.000 2.044 103 L HA -0.119 4.224 4.340 0.005 0.000 0.205 103 L C 2.408 179.330 176.870 0.086 0.000 1.075 103 L CA 1.464 56.343 54.840 0.065 0.000 0.747 103 L CB -0.902 41.188 42.059 0.050 0.000 0.903 103 L HN -0.047 nan 8.230 nan 0.000 0.435 104 I N 0.310 120.921 120.570 0.068 0.000 2.179 104 I HA -0.277 3.896 4.170 0.005 0.000 0.242 104 I C 2.906 179.071 176.117 0.080 0.000 1.088 104 I CA 1.125 62.471 61.300 0.078 0.000 1.357 104 I CB -0.510 37.534 38.000 0.073 0.000 1.051 104 I HN 0.196 nan 8.210 nan 0.000 0.409 105 A N 0.667 123.533 122.820 0.077 0.000 1.903 105 A HA -0.337 3.986 4.320 0.005 0.000 0.219 105 A C 2.286 179.919 177.584 0.080 0.000 1.191 105 A CA 2.453 54.538 52.037 0.080 0.000 0.638 105 A CB -0.836 18.268 19.000 0.173 0.000 0.823 105 A HN 0.545 nan 8.150 nan 0.000 0.451 106 E N -0.504 119.783 120.200 0.144 0.000 2.077 106 E HA -0.128 4.225 4.350 0.005 0.000 0.193 106 E C 1.841 178.570 176.600 0.216 0.000 0.989 106 E CA 1.385 57.885 56.400 0.167 0.000 0.800 106 E CB -0.180 29.688 29.700 0.280 0.000 0.746 106 E HN 0.313 nan 8.360 nan 0.000 0.452 107 V N 1.177 121.211 119.914 0.199 0.000 2.287 107 V HA -0.287 3.836 4.120 0.005 0.000 0.248 107 V C 2.455 178.641 176.094 0.153 0.000 1.053 107 V CA 1.751 64.171 62.300 0.200 0.000 1.027 107 V CB -0.489 31.420 31.823 0.143 0.000 0.646 107 V HN 0.366 nan 8.190 nan 0.000 0.447 108 L N -0.828 120.445 121.223 0.084 0.000 2.046 108 L HA -0.187 4.156 4.340 0.005 0.000 0.208 108 L C 2.369 179.223 176.870 -0.026 0.000 1.077 108 L CA 1.631 56.492 54.840 0.035 0.000 0.747 108 L CB -0.513 41.521 42.059 -0.043 0.000 0.896 108 L HN 0.275 nan 8.230 nan 0.000 0.432 109 I N -1.454 119.059 120.570 -0.094 0.000 2.226 109 I HA -0.296 3.877 4.170 0.005 0.000 0.245 109 I C 2.275 178.236 176.117 -0.259 0.000 1.100 109 I CA 1.791 62.946 61.300 -0.241 0.000 1.374 109 I CB -0.278 37.503 38.000 -0.365 0.000 1.057 109 I HN 0.295 nan 8.210 nan 0.000 0.413 110 W N 0.701 121.969 121.300 -0.053 0.000 2.388 110 W HA -0.095 4.568 4.660 0.005 0.000 0.294 110 W C 2.430 178.926 176.519 -0.039 0.000 1.212 110 W CA 0.561 57.870 57.345 -0.061 0.000 1.271 110 W CB -0.253 29.182 29.460 -0.040 0.000 1.126 110 W HN 0.012 nan 8.180 nan 0.000 0.535 111 I N 0.074 120.764 120.570 0.201 0.000 2.226 111 I HA -0.227 3.946 4.170 0.005 0.000 0.245 111 I C 2.655 178.819 176.117 0.078 0.000 1.100 111 I CA 1.651 63.031 61.300 0.134 0.000 1.374 111 I CB -1.128 36.946 38.000 0.123 0.000 1.057 111 I HN 0.082 nan 8.210 nan 0.000 0.413 112 G N -0.283 108.532 108.800 0.024 0.000 2.408 112 G HA2 -0.181 3.782 3.960 0.005 0.000 0.217 112 G HA3 -0.181 3.782 3.960 0.005 0.000 0.217 112 G C 1.660 176.532 174.900 -0.047 0.000 1.150 112 G CA 1.194 46.280 45.100 -0.025 0.000 0.776 112 G HN 0.267 nan 8.290 nan 0.000 0.542 113 T N 1.198 115.704 114.554 -0.080 0.000 2.770 113 T HA 0.015 4.368 4.350 0.005 0.000 0.263 113 T C 2.414 177.137 174.700 0.038 0.000 1.039 113 T CA 0.787 62.804 62.100 -0.139 0.000 1.142 113 T CB -0.128 68.551 68.868 -0.316 0.000 0.868 113 T HN 0.223 nan 8.240 nan 0.000 0.435 114 I N 1.167 121.814 120.570 0.128 0.000 2.226 114 I HA -0.082 4.091 4.170 0.005 0.000 0.245 114 I C 2.854 179.045 176.117 0.123 0.000 1.100 114 I CA 1.213 62.606 61.300 0.155 0.000 1.374 114 I CB -0.687 37.406 38.000 0.155 0.000 1.057 114 I HN 0.303 nan 8.210 nan 0.000 0.413 115 G N 1.080 109.937 108.800 0.095 0.000 2.421 115 G HA2 -0.316 3.647 3.960 0.005 0.000 0.216 115 G HA3 -0.316 3.647 3.960 0.005 0.000 0.216 115 G C 1.531 176.499 174.900 0.113 0.000 1.171 115 G CA 1.115 46.267 45.100 0.087 0.000 0.775 115 G HN 0.516 nan 8.290 nan 0.000 0.543 116 Q N 0.018 119.866 119.800 0.080 0.000 2.119 116 Q HA 0.062 4.405 4.340 0.005 0.000 0.201 116 Q C 2.267 178.379 176.000 0.187 0.000 0.972 116 Q CA 1.409 57.282 55.803 0.115 0.000 0.847 116 Q CB -0.686 28.078 28.738 0.044 0.000 0.903 116 Q HN 0.369 nan 8.270 nan 0.000 0.433 117 L N -0.248 121.081 121.223 0.177 0.000 2.056 117 L HA -0.002 4.341 4.340 0.005 0.000 0.207 117 L C 2.057 179.006 176.870 0.133 0.000 1.078 117 L CA 1.438 56.389 54.840 0.185 0.000 0.749 117 L CB -0.752 41.463 42.059 0.260 0.000 0.901 117 L HN 0.438 nan 8.230 nan 0.000 0.433 118 L N -1.246 120.063 121.223 0.143 0.000 2.046 118 L HA -0.200 4.143 4.340 0.005 0.000 0.208 118 L C 2.310 179.265 176.870 0.142 0.000 1.077 118 L CA 1.836 56.747 54.840 0.119 0.000 0.747 118 L CB -0.971 41.162 42.059 0.124 0.000 0.896 118 L HN 0.358 nan 8.230 nan 0.000 0.432 119 F N -0.354 119.629 119.950 0.054 0.000 2.095 119 F HA -0.222 4.309 4.527 0.005 0.000 0.298 119 F C 2.533 178.352 175.800 0.032 0.000 1.104 119 F CA 1.978 60.025 58.000 0.077 0.000 1.232 119 F CB -0.582 38.466 39.000 0.079 0.000 0.987 119 F HN 0.089 nan 8.300 nan 0.000 0.475 120 S N -0.665 115.050 115.700 0.026 0.000 2.368 120 S HA -0.167 4.305 4.470 0.005 0.000 0.224 120 S C 1.952 176.424 174.600 -0.213 0.000 1.029 120 S CA 1.654 59.772 58.200 -0.137 0.000 0.988 120 S CB -0.572 62.604 63.200 -0.039 0.000 0.838 120 S HN 0.475 nan 8.310 nan 0.000 0.462 121 T N 2.600 117.078 114.554 -0.126 0.000 2.759 121 T HA 0.006 4.359 4.350 0.005 0.000 0.269 121 T C 1.657 176.247 174.700 -0.185 0.000 1.042 121 T CA 0.964 62.976 62.100 -0.147 0.000 1.140 121 T CB -0.291 68.536 68.868 -0.069 0.000 0.864 121 T HN 0.252 nan 8.240 nan 0.000 0.455 122 L N -0.320 120.804 121.223 -0.166 0.000 2.068 122 L HA 0.097 4.440 4.340 0.005 0.000 0.204 122 L C 2.741 179.438 176.870 -0.287 0.000 1.076 122 L CA 1.055 55.803 54.840 -0.154 0.000 0.753 122 L CB -0.168 41.871 42.059 -0.033 0.000 0.910 122 L HN 0.054 nan 8.230 nan 0.000 0.439 123 R N -0.824 119.381 120.500 -0.492 0.000 2.142 123 R HA 0.046 4.389 4.340 0.005 0.000 0.204 123 R C 1.980 177.851 176.300 -0.715 0.000 1.059 123 R CA 0.658 56.318 56.100 -0.733 0.000 1.055 123 R CB -0.371 29.209 30.300 -1.201 0.000 0.976 123 R HN -0.040 nan 8.270 nan 0.000 0.483 124 V N 1.172 120.749 119.914 -0.561 0.000 2.295 124 V HA -0.254 3.869 4.120 0.005 0.000 0.246 124 V C 2.257 178.037 176.094 -0.523 0.000 1.049 124 V CA 2.191 64.254 62.300 -0.394 0.000 1.024 124 V CB -0.668 30.996 31.823 -0.265 0.000 0.648 124 V HN 0.605 nan 8.190 nan 0.000 0.447 125 S N -0.017 115.302 115.700 -0.635 0.000 2.382 125 S HA -0.289 4.184 4.470 0.005 0.000 0.228 125 S C 1.958 176.193 174.600 -0.609 0.000 1.027 125 S CA 1.754 59.403 58.200 -0.918 0.000 0.991 125 S CB -0.560 62.223 63.200 -0.694 0.000 0.823 125 S HN 0.715 nan 8.310 nan 0.000 0.469 126 E N 1.265 121.224 120.200 -0.403 0.000 2.160 126 E HA -0.134 4.219 4.350 0.005 0.000 0.195 126 E C 1.928 178.422 176.600 -0.177 0.000 0.991 126 E CA 1.218 57.469 56.400 -0.249 0.000 0.810 126 E CB -0.421 29.137 29.700 -0.236 0.000 0.742 126 E HN 0.668 nan 8.360 nan 0.000 0.466 127 L N -0.350 120.738 121.223 -0.224 0.000 2.129 127 L HA -0.193 4.150 4.340 0.005 0.000 0.212 127 L C 1.902 178.814 176.870 0.070 0.000 1.087 127 L CA 0.831 55.616 54.840 -0.092 0.000 0.757 127 L CB -0.537 41.443 42.059 -0.133 0.000 0.896 127 L HN 0.340 nan 8.230 nan 0.000 0.434 128 W N 0.535 121.755 121.300 -0.133 0.000 2.961 128 W HA -0.047 4.616 4.660 0.005 0.000 0.240 128 W C 2.312 178.786 176.519 -0.076 0.000 1.305 128 W CA 0.078 57.357 57.345 -0.109 0.000 1.465 128 W CB -0.903 28.504 29.460 -0.088 0.000 1.135 128 W HN 0.348 nan 8.180 nan 0.000 0.688 129 Q N -0.028 119.849 119.800 0.129 0.000 2.369 129 Q HA 0.210 4.553 4.340 0.005 0.000 0.206 129 Q C 1.325 177.356 176.000 0.052 0.000 0.963 129 Q CA 0.873 56.718 55.803 0.069 0.000 0.894 129 Q CB -0.161 28.593 28.738 0.027 0.000 0.965 129 Q HN 0.134 nan 8.270 nan 0.000 0.475 130 G N -0.883 107.952 108.800 0.058 0.000 2.787 130 G HA2 -0.048 3.915 3.960 0.005 0.000 0.685 130 G HA3 -0.048 3.915 3.960 0.005 0.000 0.685 130 G C 0.489 175.421 174.900 0.053 0.000 1.437 130 G CA -0.377 44.755 45.100 0.053 0.000 0.872 130 G HN 0.644 nan 8.290 nan 0.000 0.566 131 G N -2.334 106.504 108.800 0.063 0.000 2.176 131 G HA2 -0.060 3.902 3.960 0.005 0.000 0.253 131 G HA3 -0.060 3.902 3.960 0.005 0.000 0.253 131 G C 1.163 176.093 174.900 0.052 0.000 0.979 131 G CA 1.496 46.625 45.100 0.049 0.000 0.641 131 G HN 1.928 nan 8.290 nan 0.000 0.530 132 V N -0.411 119.549 119.914 0.076 0.000 3.001 132 V HA 0.460 4.583 4.120 0.005 0.000 0.228 132 V C 1.259 177.412 176.094 0.098 0.000 1.204 132 V CA 0.659 62.999 62.300 0.067 0.000 1.247 132 V CB -0.439 31.415 31.823 0.052 0.000 1.093 132 V HN 0.345 nan 8.190 nan 0.000 0.504 133 F N 2.161 122.096 119.950 -0.025 0.000 2.607 133 F HA 0.191 4.721 4.527 0.005 0.000 0.374 133 F C 0.589 176.368 175.800 -0.035 0.000 1.104 133 F CA 0.603 58.584 58.000 -0.031 0.000 1.296 133 F CB 0.274 39.259 39.000 -0.025 0.000 1.085 133 F HN 0.220 nan 8.300 nan 0.000 0.584 134 E N 2.809 122.836 120.200 -0.287 0.000 2.355 134 E HA 0.087 4.440 4.350 0.005 0.000 0.261 134 E C 0.157 176.581 176.600 -0.293 0.000 0.943 134 E CA -0.857 55.448 56.400 -0.158 0.000 0.806 134 E CB 1.583 31.199 29.700 -0.140 0.000 1.286 134 E HN 0.601 nan 8.360 nan 0.000 0.424 135 Q N 1.590 121.322 119.800 -0.114 0.000 2.152 135 Q HA -0.221 4.122 4.340 0.005 0.000 0.206 135 Q C 1.668 177.458 176.000 -0.349 0.000 0.985 135 Q CA 2.190 57.910 55.803 -0.138 0.000 0.863 135 Q CB -0.103 28.634 28.738 -0.003 0.000 0.904 135 Q HN 0.468 nan 8.270 nan 0.000 0.422 136 K N -1.169 119.105 120.400 -0.210 0.000 2.504 136 K HA 0.054 4.377 4.320 0.005 0.000 0.195 136 K C 1.278 177.672 176.600 -0.343 0.000 1.036 136 K CA 1.193 57.404 56.287 -0.128 0.000 0.984 136 K CB 0.053 32.558 32.500 0.008 0.000 0.788 136 K HN -0.019 nan 8.250 nan 0.000 0.488 137 S N 0.967 116.259 115.700 -0.679 0.000 2.603 137 S HA -0.010 4.463 4.470 0.005 0.000 0.220 137 S C 0.120 174.272 174.600 -0.747 0.000 0.967 137 S CA 0.317 57.943 58.200 -0.957 0.000 0.920 137 S CB 0.105 62.383 63.200 -1.536 0.000 0.773 137 S HN 0.321 nan 8.310 nan 0.000 0.529 138 T N 3.180 117.442 114.554 -0.487 0.000 3.185 138 T HA 0.206 4.559 4.350 0.005 0.000 0.287 138 T C -0.231 174.601 174.700 0.220 0.000 1.051 138 T CA 0.122 62.175 62.100 -0.077 0.000 1.051 138 T CB -0.256 68.441 68.868 -0.286 0.000 1.034 138 T HN 0.411 nan 8.240 nan 0.000 0.685 139 H N 2.138 121.271 119.070 0.104 0.000 2.679 139 H HA 0.206 4.766 4.556 0.005 0.000 0.367 139 H C -1.755 173.677 175.328 0.174 0.000 1.162 139 H CA -2.768 53.343 56.048 0.105 0.000 1.181 139 H CB 2.434 32.186 29.762 -0.016 0.000 1.693 139 H HN 0.132 nan 8.280 nan 0.000 0.538 140 P HA -0.194 nan 4.420 nan 0.000 0.218 140 P C 1.403 178.813 177.300 0.182 0.000 1.146 140 P CA 1.495 64.734 63.100 0.232 0.000 0.813 140 P CB 0.165 32.032 31.700 0.278 0.000 0.778 141 S N -1.289 114.476 115.700 0.108 0.000 2.419 141 S HA -0.219 4.254 4.470 0.005 0.000 0.235 141 S C 1.776 176.244 174.600 -0.220 0.000 1.019 141 S CA 0.773 58.885 58.200 -0.146 0.000 0.982 141 S CB -1.864 61.010 63.200 -0.545 0.000 0.789 141 S HN 0.109 nan 8.310 nan 0.000 0.490 142 F N 1.819 121.581 119.950 -0.312 0.000 2.250 142 F HA -0.098 4.432 4.527 0.005 0.000 0.301 142 F C 1.821 177.391 175.800 -0.382 0.000 1.077 142 F CA 0.952 58.671 58.000 -0.467 0.000 1.348 142 F CB -0.429 38.158 39.000 -0.687 0.000 1.040 142 F HN 0.087 nan 8.300 nan 0.000 0.509 143 Y N 0.303 120.560 120.300 -0.073 0.000 2.315 143 Y HA -0.230 4.323 4.550 0.005 0.000 0.288 143 Y C 2.180 177.975 175.900 -0.176 0.000 1.154 143 Y CA 1.236 59.293 58.100 -0.070 0.000 1.229 143 Y CB -0.992 37.507 38.460 0.065 0.000 0.980 143 Y HN 0.113 nan 8.280 nan 0.000 0.540 144 L N 0.215 121.406 121.223 -0.054 0.000 1.976 144 L HA -0.173 4.170 4.340 0.005 0.000 0.209 144 L C -0.142 176.662 176.870 -0.111 0.000 1.071 144 L CA 1.464 56.274 54.840 -0.051 0.000 0.746 144 L CB -1.886 40.116 42.059 -0.095 0.000 0.890 144 L HN 0.141 nan 8.230 nan 0.000 0.432 145 P HA -0.071 nan 4.420 nan 0.000 0.220 145 P C 1.173 178.362 177.300 -0.185 0.000 1.152 145 P CA 1.618 64.650 63.100 -0.112 0.000 0.812 145 P CB 0.150 31.837 31.700 -0.023 0.000 0.792 146 A N -0.848 121.744 122.820 -0.379 0.000 2.021 146 A HA 0.110 4.433 4.320 0.005 0.000 0.216 146 A C 2.083 179.551 177.584 -0.193 0.000 1.163 146 A CA 1.326 53.149 52.037 -0.356 0.000 0.676 146 A CB -0.657 17.939 19.000 -0.674 0.000 0.818 146 A HN 0.083 nan 8.150 nan 0.000 0.453 147 V N -2.178 117.628 119.914 -0.180 0.000 3.278 147 V HA 0.199 4.322 4.120 0.005 0.000 0.215 147 V C 2.631 178.491 176.094 -0.391 0.000 1.287 147 V CA 0.680 62.799 62.300 -0.302 0.000 1.302 147 V CB -0.710 31.055 31.823 -0.096 0.000 1.228 147 V HN 0.384 nan 8.190 nan 0.000 0.523 148 A N 0.522 123.260 122.820 -0.136 0.000 1.933 148 A HA -0.084 4.239 4.320 0.005 0.000 0.218 148 A C 2.274 179.917 177.584 0.099 0.000 1.175 148 A CA 2.389 54.443 52.037 0.028 0.000 0.628 148 A CB -0.780 18.310 19.000 0.151 0.000 0.814 148 A HN 0.663 nan 8.150 nan 0.000 0.444 149 A N 0.273 123.114 122.820 0.035 0.000 1.933 149 A HA -0.203 4.120 4.320 0.005 0.000 0.218 149 A C 1.956 179.561 177.584 0.036 0.000 1.175 149 A CA 1.725 53.786 52.037 0.040 0.000 0.628 149 A CB -0.594 18.419 19.000 0.021 0.000 0.814 149 A HN 0.577 nan 8.150 nan 0.000 0.444 150 N N -0.701 117.997 118.700 -0.004 0.000 2.142 150 N HA -0.097 4.646 4.740 0.005 0.000 0.186 150 N C 1.387 176.992 175.510 0.158 0.000 1.023 150 N CA 1.287 54.389 53.050 0.087 0.000 0.852 150 N CB -0.513 37.967 38.487 -0.011 0.000 0.998 150 N HN 0.430 nan 8.380 nan 0.000 0.424 151 F N 1.835 121.847 119.950 0.104 0.000 2.171 151 F HA -0.081 4.449 4.527 0.005 0.000 0.300 151 F C 2.572 178.429 175.800 0.095 0.000 1.090 151 F CA 0.808 58.883 58.000 0.125 0.000 1.293 151 F CB -1.296 37.744 39.000 0.066 0.000 1.013 151 F HN 0.004 nan 8.300 nan 0.000 0.486 152 T N -1.014 113.693 114.554 0.254 0.000 2.737 152 T HA -0.154 4.199 4.350 0.005 0.000 0.265 152 T C 2.329 177.010 174.700 -0.031 0.000 1.038 152 T CA 1.634 63.809 62.100 0.126 0.000 1.144 152 T CB -0.508 68.433 68.868 0.122 0.000 0.866 152 T HN 0.148 nan 8.240 nan 0.000 0.434 153 S N 1.353 116.982 115.700 -0.118 0.000 2.374 153 S HA -0.131 4.342 4.470 0.005 0.000 0.227 153 S C 2.556 176.981 174.600 -0.291 0.000 1.037 153 S CA 1.116 59.092 58.200 -0.373 0.000 1.024 153 S CB -0.637 62.091 63.200 -0.787 0.000 0.861 153 S HN 0.603 nan 8.310 nan 0.000 0.456 154 A N 1.175 123.985 122.820 -0.017 0.000 1.865 154 A HA -0.125 4.197 4.320 0.005 0.000 0.217 154 A C 2.385 179.939 177.584 -0.050 0.000 1.191 154 A CA 2.103 54.198 52.037 0.097 0.000 0.623 154 A CB -1.112 18.105 19.000 0.363 0.000 0.826 154 A HN 0.453 nan 8.150 nan 0.000 0.444 155 S N -0.019 115.663 115.700 -0.030 0.000 2.359 155 S HA -0.130 4.343 4.470 0.005 0.000 0.224 155 S C 2.340 176.827 174.600 -0.188 0.000 1.035 155 S CA 1.615 59.755 58.200 -0.100 0.000 1.018 155 S CB -0.334 62.850 63.200 -0.027 0.000 0.876 155 S HN 0.653 nan 8.310 nan 0.000 0.448 156 S N 1.529 117.105 115.700 -0.207 0.000 2.368 156 S HA 0.079 4.552 4.470 0.005 0.000 0.224 156 S C 1.806 176.199 174.600 -0.345 0.000 1.029 156 S CA 0.824 58.854 58.200 -0.283 0.000 0.988 156 S CB -0.358 62.666 63.200 -0.294 0.000 0.838 156 S HN 0.344 nan 8.310 nan 0.000 0.462 157 L N 1.063 122.074 121.223 -0.354 0.000 2.141 157 L HA -0.053 4.290 4.340 0.005 0.000 0.209 157 L C 2.729 179.454 176.870 -0.242 0.000 1.094 157 L CA 0.985 55.638 54.840 -0.312 0.000 0.763 157 L CB -0.616 41.260 42.059 -0.305 0.000 0.908 157 L HN 0.314 nan 8.230 nan 0.000 0.437 158 A N 0.070 122.684 122.820 -0.343 0.000 1.933 158 A HA -0.213 4.110 4.320 0.005 0.000 0.218 158 A C 2.205 179.473 177.584 -0.528 0.000 1.175 158 A CA 1.453 53.136 52.037 -0.591 0.000 0.628 158 A CB -0.608 18.071 19.000 -0.535 0.000 0.814 158 A HN 0.324 nan 8.150 nan 0.000 0.444 159 L N -0.168 120.818 121.223 -0.395 0.000 2.079 159 L HA -0.092 4.251 4.340 0.005 0.000 0.210 159 L C 1.981 178.575 176.870 -0.460 0.000 1.081 159 L CA 1.714 56.296 54.840 -0.431 0.000 0.752 159 L CB -0.386 41.377 42.059 -0.494 0.000 0.896 159 L HN 0.398 nan 8.230 nan 0.000 0.433 160 L N -0.654 120.366 121.223 -0.339 0.000 2.610 160 L HA 0.167 4.510 4.340 0.005 0.000 0.232 160 L C 1.578 178.317 176.870 -0.219 0.000 1.149 160 L CA 0.618 55.360 54.840 -0.163 0.000 0.872 160 L CB -0.769 41.324 42.059 0.056 0.000 0.992 160 L HN 0.596 nan 8.230 nan 0.000 0.447 161 G N -1.127 107.497 108.800 -0.294 0.000 2.159 161 G HA2 -0.309 3.654 3.960 0.005 0.000 0.227 161 G HA3 -0.309 3.654 3.960 0.005 0.000 0.227 161 G C -0.061 174.652 174.900 -0.313 0.000 0.986 161 G CA -0.469 44.468 45.100 -0.273 0.000 0.651 161 G HN 0.316 nan 8.290 nan 0.000 0.523 162 Y N 1.397 121.600 120.300 -0.161 0.000 2.817 162 Y HA 0.505 5.058 4.550 0.005 0.000 0.339 162 Y C 1.686 177.523 175.900 -0.104 0.000 1.281 162 Y CA -0.328 57.754 58.100 -0.030 0.000 1.564 162 Y CB -0.109 38.371 38.460 0.034 0.000 1.628 162 Y HN 0.348 nan 8.280 nan 0.000 0.489 163 H N -0.719 118.398 119.070 0.078 0.000 2.357 163 H HA -0.140 4.419 4.556 0.005 0.000 0.301 163 H C 1.369 176.753 175.328 0.094 0.000 1.082 163 H CA 2.063 58.102 56.048 -0.015 0.000 1.342 163 H CB 0.341 30.084 29.762 -0.032 0.000 1.389 163 H HN 0.432 nan 8.280 nan 0.000 0.511 164 D N 0.157 120.755 120.400 0.329 0.000 2.117 164 D HA -0.099 4.544 4.640 0.005 0.000 0.198 164 D C 2.256 178.748 176.300 0.320 0.000 0.982 164 D CA 0.609 54.824 54.000 0.358 0.000 0.828 164 D CB -0.270 40.699 40.800 0.282 0.000 0.967 164 D HN 0.283 nan 8.370 nan 0.000 0.464 165 L N 0.640 122.039 121.223 0.294 0.000 2.042 165 L HA -0.105 4.238 4.340 0.005 0.000 0.210 165 L C 2.550 179.632 176.870 0.352 0.000 1.076 165 L CA 1.421 56.444 54.840 0.306 0.000 0.749 165 L CB -0.708 41.540 42.059 0.314 0.000 0.893 165 L HN 0.099 nan 8.230 nan 0.000 0.432 166 G N -1.219 107.719 108.800 0.230 0.000 2.442 166 G HA2 -0.295 3.668 3.960 0.005 0.000 0.219 166 G HA3 -0.295 3.668 3.960 0.005 0.000 0.219 166 G C 1.394 176.443 174.900 0.247 0.000 1.141 166 G CA 0.600 45.795 45.100 0.158 0.000 0.763 166 G HN 0.332 nan 8.290 nan 0.000 0.554 167 Y N 0.418 120.869 120.300 0.251 0.000 2.274 167 Y HA -0.010 4.543 4.550 0.005 0.000 0.290 167 Y C 2.790 178.877 175.900 0.313 0.000 1.145 167 Y CA 0.413 58.688 58.100 0.291 0.000 1.203 167 Y CB -0.013 38.572 38.460 0.209 0.000 0.984 167 Y HN 0.087 nan 8.280 nan 0.000 0.533 168 L N -1.724 119.719 121.223 0.367 0.000 2.017 168 L HA -0.239 4.104 4.340 0.005 0.000 0.208 168 L C 2.044 178.967 176.870 0.088 0.000 1.073 168 L CA 1.376 56.312 54.840 0.161 0.000 0.745 168 L CB -0.760 41.302 42.059 0.005 0.000 0.894 168 L HN 0.196 nan 8.230 nan 0.000 0.432 169 F N -0.612 119.452 119.950 0.190 0.000 2.171 169 F HA -0.255 4.275 4.527 0.005 0.000 0.300 169 F C 2.397 178.320 175.800 0.204 0.000 1.090 169 F CA 1.542 59.630 58.000 0.147 0.000 1.293 169 F CB -0.647 38.419 39.000 0.109 0.000 1.013 169 F HN -0.058 nan 8.300 nan 0.000 0.486 170 F N 0.908 121.082 119.950 0.374 0.000 2.095 170 F HA -0.113 4.417 4.527 0.005 0.000 0.298 170 F C 2.418 178.452 175.800 0.389 0.000 1.104 170 F CA 1.789 60.051 58.000 0.437 0.000 1.232 170 F CB -1.063 38.180 39.000 0.404 0.000 0.987 170 F HN -0.058 nan 8.300 nan 0.000 0.475 171 G N -0.398 108.571 108.800 0.282 0.000 2.440 171 G HA2 -0.241 3.722 3.960 0.005 0.000 0.218 171 G HA3 -0.241 3.722 3.960 0.005 0.000 0.218 171 G C 1.825 176.726 174.900 0.003 0.000 1.154 171 G CA 0.929 46.097 45.100 0.113 0.000 0.767 171 G HN 0.655 nan 8.290 nan 0.000 0.552 172 A N 0.881 123.702 122.820 0.002 0.000 1.883 172 A HA 0.131 4.454 4.320 0.005 0.000 0.217 172 A C 2.722 180.242 177.584 -0.107 0.000 1.186 172 A CA 2.205 54.215 52.037 -0.044 0.000 0.624 172 A CB -1.118 17.841 19.000 -0.068 0.000 0.822 172 A HN 0.540 nan 8.150 nan 0.000 0.444 173 G N -0.914 107.747 108.800 -0.233 0.000 2.402 173 G HA2 -0.209 3.754 3.960 0.005 0.000 0.216 173 G HA3 -0.209 3.754 3.960 0.005 0.000 0.216 173 G C 1.681 176.323 174.900 -0.429 0.000 1.162 173 G CA 1.198 45.923 45.100 -0.624 0.000 0.777 173 G HN 0.497 nan 8.290 nan 0.000 0.539 174 M N -0.068 119.443 119.600 -0.148 0.000 2.099 174 M HA 0.085 4.568 4.480 0.005 0.000 0.262 174 M C 2.449 178.828 176.300 0.131 0.000 1.067 174 M CA 1.370 56.780 55.300 0.184 0.000 1.124 174 M CB -0.161 32.397 32.600 -0.069 0.000 1.353 174 M HN 0.223 nan 8.290 nan 0.000 0.410 175 I N 0.326 120.911 120.570 0.026 0.000 2.252 175 I HA -0.202 3.971 4.170 0.005 0.000 0.245 175 I C 2.638 178.794 176.117 0.065 0.000 1.102 175 I CA 1.036 62.347 61.300 0.018 0.000 1.385 175 I CB -0.692 37.313 38.000 0.009 0.000 1.064 175 I HN 0.369 nan 8.210 nan 0.000 0.414 176 A N 0.586 123.455 122.820 0.081 0.000 1.940 176 A HA -0.272 4.051 4.320 0.005 0.000 0.219 176 A C 2.097 179.863 177.584 0.304 0.000 1.176 176 A CA 1.730 53.860 52.037 0.155 0.000 0.631 176 A CB -1.083 17.967 19.000 0.085 0.000 0.814 176 A HN 0.702 nan 8.150 nan 0.000 0.446 177 W N 1.711 123.070 121.300 0.098 0.000 2.354 177 W HA -0.184 4.480 4.660 0.006 0.000 0.315 177 W C 1.896 178.547 176.519 0.219 0.000 1.206 177 W CA 1.854 59.326 57.345 0.212 0.000 1.290 177 W CB -0.740 28.796 29.460 0.127 0.000 1.152 177 W HN 0.469 nan 8.180 nan 0.000 0.489 178 I N -1.144 119.299 120.570 -0.212 0.000 2.830 178 I HA -0.096 4.077 4.170 0.005 0.000 0.263 178 I C 2.032 178.069 176.117 -0.134 0.000 1.230 178 I CA 1.289 62.324 61.300 -0.443 0.000 1.480 178 I CB -0.770 36.908 38.000 -0.535 0.000 1.095 178 I HN -0.005 nan 8.210 nan 0.000 0.455 179 I N 0.546 121.129 120.570 0.022 0.000 2.315 179 I HA -0.236 3.937 4.170 0.005 0.000 0.248 179 I C 2.302 178.515 176.117 0.160 0.000 1.117 179 I CA 1.661 63.010 61.300 0.080 0.000 1.404 179 I CB -0.253 37.796 38.000 0.083 0.000 1.071 179 I HN 0.300 nan 8.210 nan 0.000 0.419 180 F N 0.970 120.996 119.950 0.127 0.000 2.220 180 F HA -0.029 4.501 4.527 0.005 0.000 0.290 180 F C 2.435 178.313 175.800 0.130 0.000 1.080 180 F CA 1.202 59.280 58.000 0.131 0.000 1.318 180 F CB -0.311 38.852 39.000 0.272 0.000 1.063 180 F HN -0.021 nan 8.300 nan 0.000 0.498 181 E N 0.453 120.761 120.200 0.179 0.000 2.130 181 E HA -0.221 4.132 4.350 0.005 0.000 0.196 181 E C -0.711 175.847 176.600 -0.071 0.000 0.998 181 E CA 1.741 58.211 56.400 0.117 0.000 0.806 181 E CB -0.982 28.958 29.700 0.401 0.000 0.738 181 E HN 0.271 nan 8.360 nan 0.000 0.459 182 P HA -0.191 nan 4.420 nan 0.000 0.215 182 P C 1.619 178.851 177.300 -0.113 0.000 1.153 182 P CA 2.038 65.092 63.100 -0.077 0.000 0.853 182 P CB -0.161 31.492 31.700 -0.079 0.000 0.788 183 V N -2.988 116.801 119.914 -0.209 0.000 2.591 183 V HA -0.123 4.000 4.120 0.005 0.000 0.249 183 V C 2.146 178.100 176.094 -0.234 0.000 1.053 183 V CA 1.166 63.346 62.300 -0.201 0.000 1.068 183 V CB -1.762 29.946 31.823 -0.191 0.000 0.689 183 V HN -0.046 nan 8.190 nan 0.000 0.462 184 L N 0.282 121.223 121.223 -0.469 0.000 2.017 184 L HA -0.038 4.305 4.340 0.005 0.000 0.208 184 L C 2.337 179.195 176.870 -0.020 0.000 1.073 184 L CA 2.103 56.761 54.840 -0.304 0.000 0.745 184 L CB -0.583 41.191 42.059 -0.476 0.000 0.894 184 L HN 0.307 nan 8.230 nan 0.000 0.432 185 L N -1.085 120.139 121.223 0.001 0.000 2.109 185 L HA -0.162 4.181 4.340 0.005 0.000 0.207 185 L C 2.594 179.489 176.870 0.041 0.000 1.086 185 L CA 1.156 56.037 54.840 0.068 0.000 0.760 185 L CB -0.639 41.488 42.059 0.113 0.000 0.910 185 L HN 0.379 nan 8.230 nan 0.000 0.437 186 Q N 0.034 119.849 119.800 0.024 0.000 2.084 186 Q HA -0.272 4.071 4.340 0.005 0.000 0.202 186 Q C 2.165 178.194 176.000 0.049 0.000 0.978 186 Q CA 1.914 57.731 55.803 0.023 0.000 0.844 186 Q CB -0.221 28.524 28.738 0.012 0.000 0.898 186 Q HN 0.491 nan 8.270 nan 0.000 0.426 187 H N -0.466 118.591 119.070 -0.021 0.000 2.353 187 H HA -0.044 4.515 4.556 0.005 0.000 0.300 187 H C 1.633 176.974 175.328 0.022 0.000 1.090 187 H CA 1.973 58.022 56.048 0.003 0.000 1.327 187 H CB -0.210 29.555 29.762 0.006 0.000 1.383 187 H HN 0.308 nan 8.280 nan 0.000 0.508 188 L N -0.213 120.989 121.223 -0.034 0.000 2.083 188 L HA -0.151 4.192 4.340 0.005 0.000 0.209 188 L C 2.756 179.563 176.870 -0.104 0.000 1.083 188 L CA 1.306 56.105 54.840 -0.069 0.000 0.752 188 L CB -0.378 41.708 42.059 0.046 0.000 0.899 188 L HN 0.282 nan 8.230 nan 0.000 0.433 189 R N 0.037 120.493 120.500 -0.074 0.000 2.091 189 R HA -0.137 4.206 4.340 0.005 0.000 0.238 189 R C 2.222 178.467 176.300 -0.091 0.000 1.136 189 R CA 1.438 57.488 56.100 -0.084 0.000 0.959 189 R CB -0.265 30.004 30.300 -0.051 0.000 0.856 189 R HN 0.377 nan 8.270 nan 0.000 0.437 190 I N -0.451 120.063 120.570 -0.093 0.000 2.339 190 I HA -0.077 4.096 4.170 0.005 0.000 0.245 190 I C 0.411 176.467 176.117 -0.101 0.000 1.096 190 I CA 0.663 61.917 61.300 -0.077 0.000 1.408 190 I CB 0.149 38.125 38.000 -0.040 0.000 1.092 190 I HN -0.090 nan 8.210 nan 0.000 0.423 191 S N 0.730 116.307 115.700 -0.204 0.000 2.449 191 S HA 0.329 4.802 4.470 0.005 0.000 0.310 191 S C -0.137 174.384 174.600 -0.132 0.000 1.096 191 S CA -0.495 57.588 58.200 -0.196 0.000 1.095 191 S CB 1.680 64.666 63.200 -0.356 0.000 1.007 191 S HN 0.047 nan 8.310 nan 0.000 0.474 192 S N 3.230 118.937 115.700 0.012 0.000 2.422 192 S HA 0.202 4.675 4.470 0.005 0.000 0.283 192 S C 0.074 174.793 174.600 0.199 0.000 1.163 192 S CA -0.574 57.717 58.200 0.150 0.000 1.054 192 S CB -0.038 63.279 63.200 0.196 0.000 0.967 192 S HN 0.574 nan 8.310 nan 0.000 0.499 193 L N 4.465 125.848 121.223 0.267 0.000 2.540 193 L HA 0.079 4.422 4.340 0.005 0.000 0.276 193 L C 0.479 177.462 176.870 0.190 0.000 1.212 193 L CA 0.550 55.521 54.840 0.218 0.000 0.893 193 L CB -0.038 42.152 42.059 0.217 0.000 1.138 193 L HN 0.584 nan 8.230 nan 0.000 0.491 194 E N 6.537 126.876 120.200 0.233 0.000 2.404 194 E HA 0.044 4.397 4.350 0.005 0.000 0.261 194 E C -1.653 174.910 176.600 -0.060 0.000 1.074 194 E CA -1.018 55.444 56.400 0.104 0.000 0.917 194 E CB 0.199 29.988 29.700 0.148 0.000 0.965 194 E HN 0.524 nan 8.360 nan 0.000 0.433 195 P HA -0.274 nan 4.420 nan 0.000 0.216 195 P C 1.188 178.334 177.300 -0.257 0.000 1.150 195 P CA 1.352 64.301 63.100 -0.252 0.000 0.843 195 P CB 0.087 31.657 31.700 -0.216 0.000 0.787 196 Q N -1.428 118.167 119.800 -0.342 0.000 2.364 196 Q HA -0.099 4.244 4.340 0.005 0.000 0.207 196 Q C 1.036 176.759 176.000 -0.461 0.000 0.970 196 Q CA 1.493 57.030 55.803 -0.442 0.000 0.888 196 Q CB -0.916 27.472 28.738 -0.583 0.000 0.951 196 Q HN 0.286 nan 8.270 nan 0.000 0.469 197 F N 0.419 120.344 119.950 -0.041 0.000 2.704 197 F HA 0.367 4.897 4.527 0.005 0.000 0.304 197 F C 2.110 177.873 175.800 -0.063 0.000 1.094 197 F CA -0.560 57.425 58.000 -0.024 0.000 1.275 197 F CB 0.161 39.124 39.000 -0.061 0.000 1.073 197 F HN -0.064 nan 8.300 nan 0.000 0.586 198 R N 0.438 120.929 120.500 -0.014 0.000 2.152 198 R HA -0.074 4.269 4.340 0.005 0.000 0.232 198 R C 2.351 178.641 176.300 -0.016 0.000 1.117 198 R CA 1.017 57.052 56.100 -0.108 0.000 0.981 198 R CB -0.440 29.608 30.300 -0.421 0.000 0.870 198 R HN 0.253 nan 8.270 nan 0.000 0.451 199 A N 0.802 123.631 122.820 0.015 0.000 2.024 199 A HA -0.176 4.147 4.320 0.005 0.000 0.220 199 A C 2.119 179.761 177.584 0.097 0.000 1.164 199 A CA 1.979 54.073 52.037 0.095 0.000 0.643 199 A CB -0.810 18.251 19.000 0.102 0.000 0.806 199 A HN 0.497 nan 8.150 nan 0.000 0.451 200 T N -3.050 111.581 114.554 0.127 0.000 3.098 200 T HA -0.058 4.295 4.350 0.005 0.000 0.266 200 T C 1.620 176.371 174.700 0.085 0.000 1.145 200 T CA 1.105 63.297 62.100 0.153 0.000 1.092 200 T CB -0.434 68.590 68.868 0.260 0.000 0.908 200 T HN 0.258 nan 8.240 nan 0.000 0.526 201 M N 1.501 121.140 119.600 0.065 0.000 2.267 201 M HA 0.033 4.516 4.480 0.005 0.000 0.263 201 M C 2.587 178.785 176.300 -0.169 0.000 1.063 201 M CA 1.347 56.694 55.300 0.078 0.000 1.090 201 M CB -1.683 31.049 32.600 0.221 0.000 1.392 201 M HN 0.569 nan 8.290 nan 0.000 0.422 202 G N 0.323 108.760 108.800 -0.606 0.000 2.448 202 G HA2 -0.160 3.803 3.960 0.005 0.000 0.219 202 G HA3 -0.160 3.803 3.960 0.005 0.000 0.219 202 G C 1.582 176.207 174.900 -0.459 0.000 1.127 202 G CA 0.396 44.608 45.100 -1.481 0.000 0.766 202 G HN 0.506 nan 8.290 nan 0.000 0.552 203 I N 0.647 121.150 120.570 -0.111 0.000 2.614 203 I HA -0.106 4.067 4.170 0.005 0.000 0.258 203 I C 2.442 178.607 176.117 0.080 0.000 1.189 203 I CA 0.168 61.514 61.300 0.076 0.000 1.462 203 I CB -0.092 38.043 38.000 0.225 0.000 1.092 203 I HN -0.009 nan 8.210 nan 0.000 0.442 204 V N 0.938 120.923 119.914 0.119 0.000 2.720 204 V HA -0.237 3.886 4.120 0.005 0.000 0.256 204 V C 2.331 178.443 176.094 0.029 0.000 1.082 204 V CA 1.282 63.681 62.300 0.166 0.000 1.101 204 V CB -0.483 31.492 31.823 0.253 0.000 0.693 204 V HN 0.391 nan 8.190 nan 0.000 0.479 205 L N 0.768 122.001 121.223 0.018 0.000 2.201 205 L HA 0.026 4.369 4.340 0.005 0.000 0.212 205 L C 2.394 179.265 176.870 0.002 0.000 1.105 205 L CA 1.973 56.853 54.840 0.067 0.000 0.775 205 L CB -0.710 41.458 42.059 0.181 0.000 0.913 205 L HN 0.205 nan 8.230 nan 0.000 0.440 206 A N 0.017 122.767 122.820 -0.117 0.000 1.873 206 A HA -0.026 4.297 4.320 0.005 0.000 0.215 206 A C 0.033 177.364 177.584 -0.421 0.000 1.186 206 A CA 1.453 53.343 52.037 -0.244 0.000 0.616 206 A CB -1.856 16.937 19.000 -0.345 0.000 0.823 206 A HN 0.385 nan 8.150 nan 0.000 0.442 207 P HA -0.183 nan 4.420 nan 0.000 0.214 207 P C 1.826 178.486 177.300 -1.066 0.000 1.163 207 P CA 2.251 64.729 63.100 -1.037 0.000 0.889 207 P CB -0.145 30.492 31.700 -1.772 0.000 0.790 208 A N -1.836 120.437 122.820 -0.911 0.000 1.933 208 A HA -0.178 4.145 4.320 0.005 0.000 0.218 208 A C 1.949 179.231 177.584 -0.502 0.000 1.175 208 A CA 1.540 53.184 52.037 -0.654 0.000 0.628 208 A CB -1.700 17.076 19.000 -0.373 0.000 0.814 208 A HN 0.073 nan 8.150 nan 0.000 0.444 209 F N -0.463 119.326 119.950 -0.269 0.000 2.187 209 F HA -0.043 4.488 4.527 0.006 0.000 0.295 209 F C 2.435 178.129 175.800 -0.177 0.000 1.091 209 F CA 1.045 58.955 58.000 -0.151 0.000 1.308 209 F CB -0.704 38.204 39.000 -0.153 0.000 1.030 209 F HN 0.004 nan 8.300 nan 0.000 0.487 210 V N -1.165 118.658 119.914 -0.151 0.000 2.407 210 V HA -0.324 3.799 4.120 0.005 0.000 0.248 210 V C 2.586 178.398 176.094 -0.470 0.000 1.055 210 V CA 1.708 63.862 62.300 -0.243 0.000 1.049 210 V CB -0.958 30.644 31.823 -0.368 0.000 0.662 210 V HN 0.629 nan 8.190 nan 0.000 0.455 211 C N -0.554 118.265 119.300 -0.802 0.000 2.413 211 C HA -0.142 4.321 4.460 0.005 0.000 0.277 211 C C 2.822 177.664 174.990 -0.246 0.000 1.228 211 C CA 1.658 60.006 59.018 -1.117 0.000 1.731 211 C CB -0.754 26.553 27.740 -0.722 0.000 2.042 211 C HN 0.407 nan 8.230 nan 0.000 0.468 212 V N 0.284 120.162 119.914 -0.059 0.000 2.515 212 V HA -0.100 4.023 4.120 0.005 0.000 0.250 212 V C 2.722 178.893 176.094 0.128 0.000 1.058 212 V CA 2.620 65.004 62.300 0.139 0.000 1.064 212 V CB -0.640 31.315 31.823 0.221 0.000 0.675 212 V HN 0.755 nan 8.190 nan 0.000 0.461 213 S N -0.233 115.519 115.700 0.087 0.000 2.359 213 S HA -0.183 4.290 4.470 0.005 0.000 0.224 213 S C 2.155 176.762 174.600 0.011 0.000 1.035 213 S CA 1.903 60.149 58.200 0.077 0.000 1.018 213 S CB -0.484 62.783 63.200 0.111 0.000 0.876 213 S HN 0.819 nan 8.310 nan 0.000 0.448 214 A N 0.093 122.913 122.820 -0.001 0.000 1.902 214 A HA -0.061 4.262 4.320 0.005 0.000 0.217 214 A C 2.048 179.572 177.584 -0.101 0.000 1.181 214 A CA 1.765 53.813 52.037 0.018 0.000 0.623 214 A CB -1.221 17.875 19.000 0.161 0.000 0.818 214 A HN 0.745 nan 8.150 nan 0.000 0.443 215 Y N 0.547 120.682 120.300 -0.275 0.000 2.145 215 Y HA -0.165 4.387 4.550 0.005 0.000 0.286 215 Y C 1.942 177.635 175.900 -0.345 0.000 1.145 215 Y CA 1.840 59.602 58.100 -0.564 0.000 1.148 215 Y CB -0.446 37.777 38.460 -0.394 0.000 0.981 215 Y HN 0.210 nan 8.280 nan 0.000 0.507 216 L N -0.929 120.127 121.223 -0.279 0.000 2.131 216 L HA -0.218 4.125 4.340 0.005 0.000 0.210 216 L C 2.448 179.104 176.870 -0.357 0.000 1.092 216 L CA 1.405 56.036 54.840 -0.348 0.000 0.759 216 L CB -0.599 41.348 42.059 -0.186 0.000 0.903 216 L HN 0.129 nan 8.230 nan 0.000 0.435 217 S N -0.065 115.457 115.700 -0.296 0.000 2.402 217 S HA -0.065 4.408 4.470 0.005 0.000 0.229 217 S C 1.893 176.278 174.600 -0.358 0.000 1.021 217 S CA 1.110 59.139 58.200 -0.285 0.000 0.974 217 S CB -0.124 62.958 63.200 -0.197 0.000 0.800 217 S HN 0.324 nan 8.310 nan 0.000 0.484 218 I N 2.262 122.558 120.570 -0.456 0.000 2.584 218 I HA -0.050 4.123 4.170 0.005 0.000 0.255 218 I C 1.503 177.277 176.117 -0.572 0.000 1.145 218 I CA 0.662 61.647 61.300 -0.526 0.000 1.462 218 I CB -0.225 37.282 38.000 -0.823 0.000 1.102 218 I HN 0.276 nan 8.210 nan 0.000 0.433 219 N N 0.213 118.547 118.700 -0.610 0.000 2.327 219 N HA -0.110 4.633 4.740 0.005 0.000 0.231 219 N C 0.064 175.390 175.510 -0.307 0.000 1.130 219 N CA -0.074 52.702 53.050 -0.457 0.000 0.845 219 N CB -0.548 37.588 38.487 -0.585 0.000 1.073 219 N HN 0.332 nan 8.380 nan 0.000 0.496 220 H N -0.747 118.189 119.070 -0.223 0.000 2.862 220 H HA -0.140 4.419 4.556 0.005 0.000 0.290 220 H C 1.190 176.398 175.328 -0.199 0.000 1.211 220 H CA 0.982 56.919 56.048 -0.184 0.000 1.140 220 H CB -1.712 27.951 29.762 -0.164 0.000 1.341 220 H HN 0.658 nan 8.280 nan 0.000 0.392 221 G N 0.546 109.226 108.800 -0.200 0.000 2.153 221 G HA2 -0.340 3.623 3.960 0.005 0.000 0.252 221 G HA3 -0.340 3.623 3.960 0.005 0.000 0.252 221 G C 0.058 174.849 174.900 -0.181 0.000 0.994 221 G CA 0.632 45.609 45.100 -0.205 0.000 0.698 221 G HN 0.727 nan 8.290 nan 0.000 0.521 222 E N 0.551 120.639 120.200 -0.186 0.000 2.129 222 E HA 0.386 4.739 4.350 0.005 0.000 0.283 222 E C 0.358 176.837 176.600 -0.201 0.000 1.080 222 E CA -0.609 55.697 56.400 -0.156 0.000 0.867 222 E CB 0.607 30.243 29.700 -0.106 0.000 1.056 222 E HN 0.117 nan 8.360 nan 0.000 0.404 223 V N 6.899 126.659 119.914 -0.257 0.000 2.352 223 V HA 0.037 4.160 4.120 0.005 0.000 0.253 223 V C 0.211 176.177 176.094 -0.214 0.000 1.083 223 V CA -0.102 61.964 62.300 -0.391 0.000 0.993 223 V CB -0.111 31.301 31.823 -0.685 0.000 1.111 223 V HN 0.686 nan 8.190 nan 0.000 0.490 224 D N 2.629 122.977 120.400 -0.087 0.000 2.627 224 D HA 0.269 4.912 4.640 0.005 0.000 0.259 224 D C 1.156 177.476 176.300 0.032 0.000 1.164 224 D CA -0.487 53.513 54.000 -0.001 0.000 1.087 224 D CB 0.621 41.460 40.800 0.065 0.000 1.217 224 D HN 0.123 nan 8.370 nan 0.000 0.630 225 T N -0.299 114.283 114.554 0.047 0.000 2.708 225 T HA -0.129 4.224 4.350 0.005 0.000 0.266 225 T C 1.701 176.438 174.700 0.061 0.000 1.037 225 T CA 1.352 63.485 62.100 0.055 0.000 1.146 225 T CB -0.372 68.522 68.868 0.042 0.000 0.865 225 T HN 0.326 nan 8.240 nan 0.000 0.435 226 L N 1.555 122.797 121.223 0.032 0.000 2.042 226 L HA -0.008 4.335 4.340 0.005 0.000 0.210 226 L C 2.593 179.474 176.870 0.018 0.000 1.076 226 L CA 2.031 56.850 54.840 -0.035 0.000 0.749 226 L CB -1.089 40.831 42.059 -0.231 0.000 0.893 226 L HN 0.227 nan 8.230 nan 0.000 0.432 227 A N -0.634 122.238 122.820 0.086 0.000 1.902 227 A HA -0.246 4.077 4.320 0.005 0.000 0.217 227 A C 2.327 180.101 177.584 0.316 0.000 1.181 227 A CA 2.068 54.209 52.037 0.173 0.000 0.623 227 A CB -0.532 18.503 19.000 0.058 0.000 0.818 227 A HN 0.543 nan 8.150 nan 0.000 0.443 228 K N -0.508 120.061 120.400 0.282 0.000 2.097 228 K HA -0.003 4.320 4.320 0.005 0.000 0.205 228 K C 1.783 178.579 176.600 0.327 0.000 1.050 228 K CA 1.349 57.878 56.287 0.402 0.000 0.938 228 K CB -0.336 32.334 32.500 0.284 0.000 0.718 228 K HN 0.521 nan 8.250 nan 0.000 0.442 229 I N 1.178 121.874 120.570 0.210 0.000 2.163 229 I HA -0.316 3.857 4.170 0.005 0.000 0.243 229 I C 2.154 178.384 176.117 0.188 0.000 1.085 229 I CA 1.340 62.738 61.300 0.163 0.000 1.347 229 I CB -0.232 37.822 38.000 0.089 0.000 1.044 229 I HN 0.128 nan 8.210 nan 0.000 0.408 230 L N -1.146 120.195 121.223 0.196 0.000 2.056 230 L HA -0.219 4.124 4.340 0.005 0.000 0.207 230 L C 2.430 179.398 176.870 0.163 0.000 1.078 230 L CA 1.258 56.213 54.840 0.191 0.000 0.749 230 L CB -0.664 41.496 42.059 0.168 0.000 0.901 230 L HN 0.351 nan 8.230 nan 0.000 0.433 231 W N 0.896 122.191 121.300 -0.008 0.000 2.342 231 W HA -0.112 4.550 4.660 0.005 0.000 0.297 231 W C 2.449 178.922 176.519 -0.077 0.000 1.213 231 W CA 1.433 58.691 57.345 -0.144 0.000 1.251 231 W CB -1.018 28.404 29.460 -0.063 0.000 1.136 231 W HN 0.127 nan 8.180 nan 0.000 0.526 232 G N -1.617 107.340 108.800 0.262 0.000 2.421 232 G HA2 -0.354 3.608 3.960 0.005 0.000 0.216 232 G HA3 -0.354 3.608 3.960 0.005 0.000 0.216 232 G C 1.398 176.328 174.900 0.050 0.000 1.171 232 G CA 1.127 46.339 45.100 0.186 0.000 0.775 232 G HN 0.312 nan 8.290 nan 0.000 0.543 233 Y N 2.023 122.281 120.300 -0.070 0.000 2.242 233 Y HA 0.028 4.581 4.550 0.005 0.000 0.291 233 Y C 2.762 178.487 175.900 -0.292 0.000 1.137 233 Y CA 1.268 59.294 58.100 -0.125 0.000 1.181 233 Y CB -0.429 38.024 38.460 -0.013 0.000 0.989 233 Y HN 0.137 nan 8.280 nan 0.000 0.527 234 G N -0.559 107.967 108.800 -0.456 0.000 2.440 234 G HA2 -0.295 3.668 3.960 0.005 0.000 0.218 234 G HA3 -0.295 3.668 3.960 0.005 0.000 0.218 234 G C 1.439 175.854 174.900 -0.810 0.000 1.154 234 G CA 1.093 45.550 45.100 -1.071 0.000 0.767 234 G HN 0.403 nan 8.290 nan 0.000 0.552 235 F N 0.116 119.760 119.950 -0.509 0.000 2.234 235 F HA 0.111 4.640 4.527 0.004 0.000 0.299 235 F C 2.394 177.599 175.800 -0.992 0.000 1.087 235 F CA 0.527 58.115 58.000 -0.687 0.000 1.340 235 F CB -0.651 37.924 39.000 -0.708 0.000 1.031 235 F HN 0.108 nan 8.300 nan 0.000 0.500 236 L N 0.050 120.920 121.223 -0.589 0.000 2.012 236 L HA -0.235 4.108 4.340 0.005 0.000 0.210 236 L C 2.419 178.776 176.870 -0.855 0.000 1.073 236 L CA 1.845 56.265 54.840 -0.700 0.000 0.748 236 L CB -0.729 40.909 42.059 -0.700 0.000 0.891 236 L HN 0.059 nan 8.230 nan 0.000 0.431 237 Q N -0.759 118.597 119.800 -0.740 0.000 2.119 237 Q HA -0.184 4.159 4.340 0.005 0.000 0.201 237 Q C 2.275 178.209 176.000 -0.110 0.000 0.972 237 Q CA 1.675 57.214 55.803 -0.440 0.000 0.847 237 Q CB -0.741 27.789 28.738 -0.346 0.000 0.903 237 Q HN 0.510 nan 8.270 nan 0.000 0.433 238 L N 0.227 121.371 121.223 -0.132 0.000 2.012 238 L HA -0.172 4.171 4.340 0.005 0.000 0.210 238 L C 2.035 179.031 176.870 0.209 0.000 1.073 238 L CA 1.733 56.607 54.840 0.057 0.000 0.748 238 L CB -0.681 41.376 42.059 -0.004 0.000 0.891 238 L HN -0.004 nan 8.230 nan 0.000 0.431 239 F N -0.862 119.137 119.950 0.082 0.000 2.134 239 F HA -0.177 4.353 4.527 0.004 0.000 0.299 239 F C 2.377 178.350 175.800 0.288 0.000 1.097 239 F CA 0.768 58.844 58.000 0.127 0.000 1.264 239 F CB -1.445 37.602 39.000 0.078 0.000 1.001 239 F HN 0.051 nan 8.300 nan 0.000 0.479 240 F N 0.240 120.332 119.950 0.236 0.000 2.095 240 F HA -0.184 4.346 4.527 0.005 0.000 0.298 240 F C 2.439 178.361 175.800 0.203 0.000 1.104 240 F CA 0.854 58.952 58.000 0.163 0.000 1.232 240 F CB -1.589 37.468 39.000 0.094 0.000 0.987 240 F HN -0.042 nan 8.300 nan 0.000 0.475 241 L N -0.922 120.569 121.223 0.448 0.000 2.141 241 L HA -0.189 4.154 4.340 0.005 0.000 0.209 241 L C 2.451 179.598 176.870 0.462 0.000 1.094 241 L CA 0.640 55.762 54.840 0.469 0.000 0.763 241 L CB -0.633 41.746 42.059 0.532 0.000 0.908 241 L HN 0.108 nan 8.230 nan 0.000 0.437 242 L N -0.608 120.842 121.223 0.379 0.000 2.046 242 L HA -0.209 4.134 4.340 0.005 0.000 0.208 242 L C 2.895 179.937 176.870 0.288 0.000 1.077 242 L CA 1.070 56.087 54.840 0.295 0.000 0.747 242 L CB -0.555 41.651 42.059 0.245 0.000 0.896 242 L HN 0.267 nan 8.230 nan 0.000 0.432 243 R N 0.836 121.494 120.500 0.264 0.000 2.096 243 R HA -0.129 4.214 4.340 0.005 0.000 0.235 243 R C 2.010 178.437 176.300 0.211 0.000 1.127 243 R CA 1.411 57.625 56.100 0.191 0.000 0.968 243 R CB -0.326 30.053 30.300 0.132 0.000 0.861 243 R HN 0.381 nan 8.270 nan 0.000 0.440 244 L N 0.072 121.459 121.223 0.273 0.000 2.554 244 L HA -0.029 4.314 4.340 0.005 0.000 0.226 244 L C 1.967 179.085 176.870 0.414 0.000 1.137 244 L CA -0.064 54.964 54.840 0.313 0.000 0.863 244 L CB -0.333 41.927 42.059 0.336 0.000 0.985 244 L HN 0.073 nan 8.230 nan 0.000 0.451 245 F N 2.044 122.140 119.950 0.244 0.000 2.126 245 F HA -0.125 4.405 4.527 0.005 0.000 0.299 245 F C -0.445 175.454 175.800 0.165 0.000 1.096 245 F CA 1.503 59.620 58.000 0.194 0.000 1.255 245 F CB -1.089 37.966 39.000 0.091 0.000 0.997 245 F HN 0.078 nan 8.300 nan 0.000 0.479 246 P HA -0.217 nan 4.420 nan 0.000 0.215 246 P C 1.174 178.524 177.300 0.083 0.000 1.153 246 P CA 1.968 65.138 63.100 0.117 0.000 0.853 246 P CB -0.407 31.389 31.700 0.159 0.000 0.788 247 W N 0.392 121.677 121.300 -0.026 0.000 2.358 247 W HA -0.140 4.523 4.660 0.005 0.000 0.303 247 W C 1.924 178.401 176.519 -0.069 0.000 1.208 247 W CA 1.241 58.567 57.345 -0.031 0.000 1.274 247 W CB -0.865 28.597 29.460 0.003 0.000 1.138 247 W HN -0.211 nan 8.180 nan 0.000 0.515 248 I N 0.881 121.402 120.570 -0.082 0.000 2.194 248 I HA -0.291 3.882 4.170 0.005 0.000 0.246 248 I C 1.834 177.690 176.117 -0.434 0.000 1.093 248 I CA 1.908 63.004 61.300 -0.340 0.000 1.355 248 I CB -0.869 37.063 38.000 -0.113 0.000 1.046 248 I HN 0.022 nan 8.210 nan 0.000 0.413 249 V N -2.394 117.245 119.914 -0.458 0.000 3.170 249 V HA 0.155 4.278 4.120 0.005 0.000 0.354 249 V C 1.604 177.560 176.094 -0.231 0.000 1.350 249 V CA -0.033 62.049 62.300 -0.362 0.000 1.244 249 V CB -0.240 31.320 31.823 -0.438 0.000 1.222 249 V HN 0.380 nan 8.190 nan 0.000 0.478 250 E N 1.327 121.385 120.200 -0.238 0.000 2.097 250 E HA -0.236 4.116 4.350 0.005 0.000 0.196 250 E C 1.293 177.819 176.600 -0.124 0.000 1.000 250 E CA 1.424 57.733 56.400 -0.152 0.000 0.804 250 E CB 0.180 29.768 29.700 -0.186 0.000 0.740 250 E HN 0.519 nan 8.360 nan 0.000 0.454 251 K N -0.007 120.302 120.400 -0.151 0.000 2.437 251 K HA 0.212 4.535 4.320 0.005 0.000 0.198 251 K C 0.189 176.736 176.600 -0.088 0.000 1.024 251 K CA 0.680 56.901 56.287 -0.110 0.000 1.148 251 K CB 0.806 33.233 32.500 -0.122 0.000 0.860 251 K HN 0.286 nan 8.250 nan 0.000 0.515 252 G N 0.667 109.411 108.800 -0.092 0.000 2.484 252 G HA2 -0.132 3.831 3.960 0.005 0.000 0.685 252 G HA3 -0.132 3.831 3.960 0.005 0.000 0.685 252 G C -1.025 173.835 174.900 -0.066 0.000 1.294 252 G CA -1.127 43.935 45.100 -0.064 0.000 0.879 252 G HN 0.065 nan 8.290 nan 0.000 0.646 253 L N 1.483 122.685 121.223 -0.035 0.000 2.416 253 L HA 0.481 4.824 4.340 0.005 0.000 0.272 253 L C 0.722 177.595 176.870 0.005 0.000 1.161 253 L CA -0.216 54.616 54.840 -0.013 0.000 0.845 253 L CB 0.750 42.815 42.059 0.009 0.000 1.119 253 L HN 0.946 nan 8.230 nan 0.000 0.464 254 N N 1.253 119.965 118.700 0.019 0.000 2.732 254 N HA 0.224 4.967 4.740 0.005 0.000 0.259 254 N C 0.101 175.656 175.510 0.076 0.000 1.402 254 N CA -0.866 52.208 53.050 0.040 0.000 0.829 254 N CB 0.814 39.307 38.487 0.010 0.000 1.495 254 N HN 0.359 nan 8.380 nan 0.000 0.511 255 I N 0.295 120.922 120.570 0.095 0.000 2.567 255 I HA 0.087 4.260 4.170 0.005 0.000 0.257 255 I C 1.898 178.114 176.117 0.166 0.000 1.184 255 I CA 1.453 62.850 61.300 0.161 0.000 1.451 255 I CB -0.674 37.383 38.000 0.095 0.000 1.089 255 I HN 0.870 nan 8.210 nan 0.000 0.441 256 G N 0.083 108.930 108.800 0.078 0.000 2.498 256 G HA2 -0.205 3.758 3.960 0.005 0.000 0.219 256 G HA3 -0.205 3.758 3.960 0.005 0.000 0.219 256 G C 1.587 176.604 174.900 0.194 0.000 1.119 256 G CA 0.515 45.669 45.100 0.091 0.000 0.766 256 G HN 0.462 nan 8.290 nan 0.000 0.552 257 L N -1.317 120.027 121.223 0.201 0.000 2.353 257 L HA -0.031 4.312 4.340 0.005 0.000 0.220 257 L C 2.393 179.420 176.870 0.262 0.000 1.133 257 L CA 0.250 55.259 54.840 0.281 0.000 0.798 257 L CB -0.309 41.862 42.059 0.188 0.000 0.922 257 L HN 0.310 nan 8.230 nan 0.000 0.445 258 W N 0.032 121.429 121.300 0.162 0.000 2.359 258 W HA -0.239 4.423 4.660 0.004 0.000 0.275 258 W C 2.566 179.198 176.519 0.189 0.000 1.217 258 W CA 1.021 58.455 57.345 0.148 0.000 1.196 258 W CB -0.285 29.220 29.460 0.074 0.000 1.129 258 W HN 0.166 nan 8.180 nan 0.000 0.566 259 A N -0.497 122.543 122.820 0.368 0.000 1.986 259 A HA -0.242 4.081 4.320 0.005 0.000 0.220 259 A C 1.615 179.323 177.584 0.205 0.000 1.171 259 A CA 1.529 53.723 52.037 0.261 0.000 0.640 259 A CB -1.189 17.903 19.000 0.153 0.000 0.811 259 A HN 0.336 nan 8.150 nan 0.000 0.451 260 F N 0.821 120.892 119.950 0.201 0.000 2.502 260 F HA -0.112 4.418 4.527 0.006 0.000 0.298 260 F C 2.773 178.660 175.800 0.145 0.000 1.111 260 F CA 1.262 59.358 58.000 0.160 0.000 1.445 260 F CB -0.098 38.963 39.000 0.102 0.000 1.081 260 F HN 0.373 nan 8.300 nan 0.000 0.558 261 S N -0.382 115.520 115.700 0.337 0.000 2.423 261 S HA -0.208 4.265 4.470 0.005 0.000 0.231 261 S C 2.078 176.874 174.600 0.328 0.000 1.014 261 S CA 0.597 58.959 58.200 0.270 0.000 0.965 261 S CB -0.948 62.473 63.200 0.368 0.000 0.785 261 S HN 0.289 nan 8.310 nan 0.000 0.495 262 F N 3.266 123.324 119.950 0.179 0.000 2.084 262 F HA 0.187 4.717 4.527 0.005 0.000 0.296 262 F C 2.512 178.373 175.800 0.102 0.000 1.111 262 F CA 0.686 58.768 58.000 0.137 0.000 1.224 262 F CB -1.345 37.733 39.000 0.130 0.000 0.991 262 F HN 0.308 nan 8.300 nan 0.000 0.471 263 G N 0.667 109.612 108.800 0.241 0.000 2.446 263 G HA2 -0.233 3.730 3.960 0.005 0.000 0.217 263 G HA3 -0.233 3.730 3.960 0.005 0.000 0.217 263 G C 1.964 176.886 174.900 0.037 0.000 1.168 263 G CA 1.026 46.194 45.100 0.114 0.000 0.771 263 G HN 0.410 nan 8.290 nan 0.000 0.551 264 L N 0.701 121.971 121.223 0.079 0.000 2.012 264 L HA -0.104 4.239 4.340 0.005 0.000 0.210 264 L C 3.437 180.273 176.870 -0.056 0.000 1.073 264 L CA 1.227 56.049 54.840 -0.030 0.000 0.748 264 L CB -0.458 41.595 42.059 -0.009 0.000 0.891 264 L HN 0.308 nan 8.230 nan 0.000 0.431 265 A N -0.958 121.899 122.820 0.061 0.000 1.933 265 A HA -0.183 4.140 4.320 0.005 0.000 0.218 265 A C 2.469 180.111 177.584 0.096 0.000 1.175 265 A CA 2.093 54.179 52.037 0.081 0.000 0.628 265 A CB -0.527 18.573 19.000 0.167 0.000 0.814 265 A HN 0.393 nan 8.150 nan 0.000 0.444 266 S N -1.074 114.703 115.700 0.127 0.000 2.428 266 S HA -0.060 4.413 4.470 0.005 0.000 0.230 266 S C 1.932 176.574 174.600 0.070 0.000 1.014 266 S CA 1.206 59.489 58.200 0.138 0.000 0.957 266 S CB -0.287 62.997 63.200 0.140 0.000 0.784 266 S HN 0.651 nan 8.310 nan 0.000 0.499 267 M N 1.587 121.059 119.600 -0.213 0.000 2.117 267 M HA -0.135 4.347 4.480 0.005 0.000 0.262 267 M C 2.161 178.421 176.300 -0.067 0.000 1.065 267 M CA 1.633 56.622 55.300 -0.519 0.000 1.114 267 M CB -0.352 31.595 32.600 -1.088 0.000 1.361 267 M HN 0.376 nan 8.290 nan 0.000 0.408 268 A N 0.628 123.410 122.820 -0.063 0.000 1.877 268 A HA -0.214 4.109 4.320 0.005 0.000 0.216 268 A C 1.932 179.672 177.584 0.261 0.000 1.186 268 A CA 2.025 54.080 52.037 0.029 0.000 0.620 268 A CB -1.150 17.668 19.000 -0.304 0.000 0.822 268 A HN 0.663 nan 8.150 nan 0.000 0.443 269 N N 0.628 119.457 118.700 0.215 0.000 2.058 269 N HA -0.171 4.572 4.740 0.005 0.000 0.191 269 N C 2.081 177.764 175.510 0.287 0.000 1.037 269 N CA 2.351 55.572 53.050 0.284 0.000 0.848 269 N CB -0.313 38.333 38.487 0.264 0.000 1.021 269 N HN 0.536 nan 8.380 nan 0.000 0.422 270 S N 0.260 116.146 115.700 0.310 0.000 2.382 270 S HA -0.017 4.456 4.470 0.005 0.000 0.228 270 S C 2.250 177.113 174.600 0.438 0.000 1.027 270 S CA 1.255 59.673 58.200 0.362 0.000 0.991 270 S CB -0.649 62.847 63.200 0.493 0.000 0.823 270 S HN 0.421 nan 8.310 nan 0.000 0.469 271 A N 2.390 125.536 122.820 0.543 0.000 1.940 271 A HA -0.105 4.218 4.320 0.005 0.000 0.219 271 A C 2.597 180.415 177.584 0.390 0.000 1.176 271 A CA 2.463 54.854 52.037 0.591 0.000 0.631 271 A CB -1.896 17.446 19.000 0.569 0.000 0.814 271 A HN 0.840 nan 8.150 nan 0.000 0.446 272 T N -2.292 112.427 114.554 0.275 0.000 2.833 272 T HA 0.039 4.392 4.350 0.005 0.000 0.269 272 T C 1.846 176.660 174.700 0.191 0.000 1.054 272 T CA 1.775 63.966 62.100 0.151 0.000 1.135 272 T CB -0.495 68.437 68.868 0.108 0.000 0.869 272 T HN 0.585 nan 8.240 nan 0.000 0.466 273 A N 0.315 123.229 122.820 0.157 0.000 1.930 273 A HA 0.275 4.598 4.320 0.005 0.000 0.215 273 A C 1.973 179.573 177.584 0.027 0.000 1.176 273 A CA 0.692 52.755 52.037 0.045 0.000 0.632 273 A CB -0.944 18.016 19.000 -0.068 0.000 0.819 273 A HN 0.468 nan 8.150 nan 0.000 0.445 274 F N -1.680 118.218 119.950 -0.086 0.000 2.134 274 F HA -0.133 4.396 4.527 0.005 0.000 0.299 274 F C 2.190 178.001 175.800 0.018 0.000 1.097 274 F CA 1.705 59.619 58.000 -0.143 0.000 1.264 274 F CB -0.737 38.026 39.000 -0.396 0.000 1.001 274 F HN 0.399 nan 8.300 nan 0.000 0.479 275 Y N -0.331 120.081 120.300 0.187 0.000 2.145 275 Y HA -0.308 4.245 4.550 0.006 0.000 0.286 275 Y C 2.965 178.902 175.900 0.062 0.000 1.145 275 Y CA 2.200 60.368 58.100 0.112 0.000 1.148 275 Y CB -0.711 37.791 38.460 0.071 0.000 0.981 275 Y HN 0.100 nan 8.280 nan 0.000 0.507 276 H N -0.726 118.427 119.070 0.138 0.000 2.456 276 H HA -0.083 4.475 4.556 0.005 0.000 0.296 276 H C 1.855 177.141 175.328 -0.070 0.000 1.079 276 H CA 1.397 57.466 56.048 0.036 0.000 1.322 276 H CB -0.318 29.464 29.762 0.033 0.000 1.388 276 H HN 0.496 nan 8.280 nan 0.000 0.538 277 G N 0.009 108.796 108.800 -0.022 0.000 3.042 277 G HA2 -0.158 3.805 3.960 0.005 0.000 0.212 277 G HA3 -0.158 3.805 3.960 0.005 0.000 0.212 277 G C 0.396 175.208 174.900 -0.147 0.000 1.166 277 G CA 0.269 45.305 45.100 -0.107 0.000 0.767 277 G HN 0.461 nan 8.290 nan 0.000 0.546 278 N N -0.833 117.757 118.700 -0.183 0.000 2.725 278 N HA -0.186 4.557 4.740 0.005 0.000 0.251 278 N C -0.708 174.748 175.510 -0.091 0.000 1.031 278 N CA 0.628 53.563 53.050 -0.191 0.000 0.720 278 N CB -1.294 37.083 38.487 -0.183 0.000 0.930 278 N HN 0.106 nan 8.380 nan 0.000 0.543 279 V N 1.899 121.797 119.914 -0.026 0.000 2.444 279 V HA 0.414 4.537 4.120 0.005 0.000 0.294 279 V C 1.092 177.333 176.094 0.244 0.000 1.022 279 V CA -0.744 61.608 62.300 0.088 0.000 0.850 279 V CB 1.575 33.424 31.823 0.043 0.000 0.992 279 V HN 0.347 nan 8.190 nan 0.000 0.426 280 L N 4.529 125.881 121.223 0.216 0.000 3.762 280 L HA -0.284 4.059 4.340 0.005 0.000 0.460 280 L C 1.798 178.839 176.870 0.285 0.000 1.255 280 L CA 0.402 55.400 54.840 0.264 0.000 0.783 280 L CB -1.079 41.222 42.059 0.403 0.000 1.600 280 L HN 0.789 nan 8.230 nan 0.000 0.862 281 Q N 0.252 120.153 119.800 0.169 0.000 2.124 281 Q HA -0.162 4.181 4.340 0.005 0.000 0.202 281 Q C 2.152 178.328 176.000 0.293 0.000 0.977 281 Q CA 1.700 57.625 55.803 0.203 0.000 0.850 281 Q CB -0.007 28.694 28.738 -0.062 0.000 0.901 281 Q HN 0.842 nan 8.270 nan 0.000 0.429 282 G N 0.361 109.277 108.800 0.192 0.000 2.421 282 G HA2 -0.217 3.746 3.960 0.005 0.000 0.216 282 G HA3 -0.217 3.746 3.960 0.005 0.000 0.216 282 G C 1.515 176.527 174.900 0.187 0.000 1.171 282 G CA 0.843 46.042 45.100 0.164 0.000 0.775 282 G HN 0.213 nan 8.290 nan 0.000 0.543 283 V N 2.018 122.032 119.914 0.167 0.000 2.392 283 V HA -0.227 3.896 4.120 0.005 0.000 0.249 283 V C 3.293 179.569 176.094 0.302 0.000 1.059 283 V CA 2.404 64.782 62.300 0.129 0.000 1.051 283 V CB -0.595 31.233 31.823 0.008 0.000 0.658 283 V HN 0.631 nan 8.190 nan 0.000 0.455 284 S N 0.106 116.075 115.700 0.449 0.000 2.368 284 S HA -0.143 4.330 4.470 0.005 0.000 0.224 284 S C 1.965 176.778 174.600 0.355 0.000 1.029 284 S CA 1.597 60.123 58.200 0.544 0.000 0.988 284 S CB -0.632 62.935 63.200 0.611 0.000 0.838 284 S HN 0.530 nan 8.310 nan 0.000 0.462 285 I N 0.826 121.566 120.570 0.284 0.000 2.179 285 I HA -0.099 4.074 4.170 0.005 0.000 0.242 285 I C 2.416 178.652 176.117 0.198 0.000 1.088 285 I CA 1.762 63.160 61.300 0.165 0.000 1.357 285 I CB -0.495 37.582 38.000 0.129 0.000 1.051 285 I HN 0.324 nan 8.210 nan 0.000 0.409 286 F N 2.065 122.074 119.950 0.100 0.000 2.095 286 F HA -0.272 4.258 4.527 0.005 0.000 0.298 286 F C 2.448 178.315 175.800 0.113 0.000 1.104 286 F CA 1.554 59.598 58.000 0.072 0.000 1.232 286 F CB -0.511 38.480 39.000 -0.015 0.000 0.987 286 F HN 0.001 nan 8.300 nan 0.000 0.475 287 A N 0.125 122.896 122.820 -0.081 0.000 1.883 287 A HA -0.214 4.109 4.320 0.005 0.000 0.217 287 A C 2.217 179.733 177.584 -0.114 0.000 1.186 287 A CA 1.717 53.645 52.037 -0.182 0.000 0.624 287 A CB -1.716 17.350 19.000 0.110 0.000 0.822 287 A HN 0.565 nan 8.150 nan 0.000 0.444 288 F N 0.348 120.235 119.950 -0.105 0.000 2.134 288 F HA -0.133 4.396 4.527 0.004 0.000 0.299 288 F C 2.291 177.997 175.800 -0.156 0.000 1.097 288 F CA 1.879 59.797 58.000 -0.135 0.000 1.264 288 F CB -0.108 38.797 39.000 -0.159 0.000 1.001 288 F HN 0.037 nan 8.300 nan 0.000 0.479 289 V N -0.188 119.733 119.914 0.012 0.000 2.307 289 V HA -0.277 3.846 4.120 0.005 0.000 0.245 289 V C 2.146 178.144 176.094 -0.160 0.000 1.045 289 V CA 1.950 64.230 62.300 -0.034 0.000 1.024 289 V CB -0.937 30.908 31.823 0.038 0.000 0.651 289 V HN 0.428 nan 8.190 nan 0.000 0.449 290 F N 1.308 120.998 119.950 -0.433 0.000 2.065 290 F HA -0.246 4.284 4.527 0.006 0.000 0.298 290 F C 2.639 178.224 175.800 -0.359 0.000 1.112 290 F CA 2.171 59.883 58.000 -0.481 0.000 1.212 290 F CB -0.480 37.983 39.000 -0.895 0.000 0.975 290 F HN 0.073 nan 8.300 nan 0.000 0.476 291 S N 0.626 116.147 115.700 -0.298 0.000 2.359 291 S HA -0.234 4.239 4.470 0.005 0.000 0.224 291 S C 1.852 176.245 174.600 -0.346 0.000 1.035 291 S CA 1.500 59.508 58.200 -0.321 0.000 1.018 291 S CB -0.600 62.430 63.200 -0.283 0.000 0.876 291 S HN 0.499 nan 8.310 nan 0.000 0.448 292 N N 0.873 119.368 118.700 -0.343 0.000 2.120 292 N HA -0.073 4.670 4.740 0.005 0.000 0.188 292 N C 1.808 177.205 175.510 -0.188 0.000 1.024 292 N CA 1.192 54.116 53.050 -0.209 0.000 0.852 292 N CB -0.381 38.030 38.487 -0.127 0.000 1.003 292 N HN 0.202 nan 8.380 nan 0.000 0.424 293 V N 2.007 121.773 119.914 -0.247 0.000 2.295 293 V HA -0.221 3.902 4.120 0.005 0.000 0.246 293 V C 2.494 178.387 176.094 -0.334 0.000 1.049 293 V CA 1.289 63.438 62.300 -0.252 0.000 1.024 293 V CB -0.353 31.314 31.823 -0.261 0.000 0.648 293 V HN 0.269 nan 8.190 nan 0.000 0.447 294 M N -0.797 118.504 119.600 -0.498 0.000 2.117 294 M HA -0.089 4.394 4.480 0.005 0.000 0.262 294 M C 2.195 178.264 176.300 -0.386 0.000 1.065 294 M CA 1.887 56.880 55.300 -0.513 0.000 1.114 294 M CB -1.012 31.178 32.600 -0.684 0.000 1.361 294 M HN 0.283 nan 8.290 nan 0.000 0.408 295 I N -0.377 120.003 120.570 -0.318 0.000 2.394 295 I HA -0.149 4.023 4.170 0.005 0.000 0.251 295 I C 2.532 178.513 176.117 -0.226 0.000 1.136 295 I CA 1.043 62.172 61.300 -0.285 0.000 1.425 295 I CB -0.865 37.048 38.000 -0.145 0.000 1.079 295 I HN 0.317 nan 8.210 nan 0.000 0.425 296 G N 1.354 110.056 108.800 -0.162 0.000 2.440 296 G HA2 -0.207 3.756 3.960 0.005 0.000 0.218 296 G HA3 -0.207 3.756 3.960 0.005 0.000 0.218 296 G C 1.695 176.521 174.900 -0.123 0.000 1.154 296 G CA 0.553 45.592 45.100 -0.103 0.000 0.767 296 G HN 0.272 nan 8.290 nan 0.000 0.552 297 L N -0.132 120.981 121.223 -0.184 0.000 2.083 297 L HA -0.025 4.318 4.340 0.005 0.000 0.209 297 L C 2.910 179.661 176.870 -0.198 0.000 1.083 297 L CA 0.505 55.236 54.840 -0.181 0.000 0.752 297 L CB -0.418 41.509 42.059 -0.220 0.000 0.899 297 L HN 0.187 nan 8.230 nan 0.000 0.433 298 L N -1.013 120.012 121.223 -0.330 0.000 2.046 298 L HA -0.200 4.143 4.340 0.005 0.000 0.208 298 L C 2.542 179.312 176.870 -0.167 0.000 1.077 298 L CA 0.884 55.425 54.840 -0.498 0.000 0.747 298 L CB -0.513 40.819 42.059 -1.213 0.000 0.896 298 L HN 0.050 nan 8.230 nan 0.000 0.432 299 V N 0.066 119.958 119.914 -0.038 0.000 2.343 299 V HA -0.280 3.843 4.120 0.005 0.000 0.247 299 V C 2.341 178.522 176.094 0.146 0.000 1.051 299 V CA 1.615 64.043 62.300 0.213 0.000 1.036 299 V CB -0.304 31.617 31.823 0.163 0.000 0.654 299 V HN 0.351 nan 8.190 nan 0.000 0.451 300 L N -1.308 119.948 121.223 0.054 0.000 2.156 300 L HA -0.152 4.191 4.340 0.005 0.000 0.208 300 L C 2.450 179.372 176.870 0.087 0.000 1.095 300 L CA 1.446 56.319 54.840 0.055 0.000 0.770 300 L CB -0.393 41.666 42.059 0.001 0.000 0.914 300 L HN 0.315 nan 8.230 nan 0.000 0.439 301 M N -1.142 118.494 119.600 0.060 0.000 2.319 301 M HA -0.126 4.357 4.480 0.005 0.000 0.265 301 M C 2.113 178.547 176.300 0.223 0.000 1.068 301 M CA 1.463 56.823 55.300 0.100 0.000 1.118 301 M CB -0.393 32.222 32.600 0.025 0.000 1.395 301 M HN 0.195 nan 8.290 nan 0.000 0.435 302 T N 0.870 115.578 114.554 0.257 0.000 2.851 302 T HA 0.026 4.379 4.350 0.005 0.000 0.262 302 T C 1.765 176.597 174.700 0.220 0.000 1.043 302 T CA 0.961 63.245 62.100 0.308 0.000 1.140 302 T CB -0.159 68.982 68.868 0.456 0.000 0.872 302 T HN 0.295 nan 8.240 nan 0.000 0.446 303 I N 0.148 120.833 120.570 0.191 0.000 2.226 303 I HA -0.195 3.978 4.170 0.005 0.000 0.245 303 I C 2.247 178.448 176.117 0.141 0.000 1.100 303 I CA 1.510 62.892 61.300 0.136 0.000 1.374 303 I CB -0.411 37.658 38.000 0.115 0.000 1.057 303 I HN 0.210 nan 8.210 nan 0.000 0.413 304 Y N 2.256 122.587 120.300 0.050 0.000 2.014 304 Y HA -0.334 4.218 4.550 0.003 0.000 0.270 304 Y C 2.619 178.541 175.900 0.037 0.000 1.145 304 Y CA 1.782 59.903 58.100 0.036 0.000 1.106 304 Y CB -0.247 38.231 38.460 0.031 0.000 0.968 304 Y HN -0.090 nan 8.280 nan 0.000 0.484 305 K N 0.352 120.842 120.400 0.150 0.000 2.144 305 K HA -0.242 4.080 4.320 0.005 0.000 0.209 305 K C 2.210 178.788 176.600 -0.037 0.000 1.047 305 K CA 1.869 58.181 56.287 0.043 0.000 0.927 305 K CB -0.888 31.700 32.500 0.146 0.000 0.716 305 K HN 0.471 nan 8.250 nan 0.000 0.454 306 L N 0.691 121.915 121.223 0.002 0.000 2.156 306 L HA -0.103 4.240 4.340 0.005 0.000 0.208 306 L C 2.015 178.844 176.870 -0.067 0.000 1.095 306 L CA 1.418 56.247 54.840 -0.018 0.000 0.770 306 L CB -0.414 41.657 42.059 0.020 0.000 0.914 306 L HN 0.249 nan 8.230 nan 0.000 0.439 307 T N -4.355 110.138 114.554 -0.101 0.000 3.324 307 T HA 0.068 4.421 4.350 0.005 0.000 0.250 307 T C 0.879 175.452 174.700 -0.212 0.000 1.059 307 T CA 0.094 62.115 62.100 -0.131 0.000 0.951 307 T CB 0.033 68.836 68.868 -0.108 0.000 1.030 307 T HN -0.031 nan 8.240 nan 0.000 0.576 308 K N 0.283 120.552 120.400 -0.219 0.000 2.582 308 K HA 0.482 4.804 4.320 0.005 0.000 0.204 308 K C 0.980 177.499 176.600 -0.135 0.000 1.221 308 K CA 0.241 56.399 56.287 -0.216 0.000 1.048 308 K CB 0.880 33.181 32.500 -0.333 0.000 1.011 308 K HN 0.498 nan 8.250 nan 0.000 0.597 309 G N 0.000 108.732 108.800 -0.113 0.000 5.446 309 G HA2 0.000 3.963 3.960 0.005 0.000 0.244 309 G HA3 0.000 3.963 3.960 0.005 0.000 0.244 309 G CA 0.000 45.040 45.100 -0.100 0.000 0.502 309 G HN 0.000 nan 8.290 nan 0.000 0.925