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 1dvm_1_A DATA FIRST_RESID 4 DATA SEQUENCE PPSYVAHLAS DFGVRVFQQV AQASKDRNVV FSPYGVASVL AMLQLTTGGE DATA SEQUENCE TQQQIQAAMG FKIDDKGMAP ALRHLYKELM GPWNKDEIST TDAIFVQRDL DATA SEQUENCE KLVQGFMPHF FRLFRSTVKQ VDFSEVERAR FIINDWVKTH TKGMISHLLG DATA SEQUENCE TGAVQQLTRL VLVNALYFNG QWKTPFPDSS THRRLFHKSD GSTVSVPMMA DATA SEQUENCE QTNKFNYTEF TTPDGHYYDI LELPYHGDTL SMFIAAPYEK EVPLSALTNI DATA SEQUENCE LSAQLISHWK GNMTRLPRLL VLPKFSLETE VDLRKPLENL GMTDMFRQFQ DATA SEQUENCE ADFTSLSDQE PLHVALALQK VKIEVNESGT VASSSXAVIV SARMAPEEII DATA SEQUENCE IDRPFLFVVR HNPTGTVLFM GQVMEP 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 4 P HA 0.000 nan 4.420 nan 0.000 0.216 4 P C 0.000 177.321 177.300 0.034 0.000 1.155 4 P CA 0.000 63.126 63.100 0.044 0.000 0.800 4 P CB 0.000 31.721 31.700 0.036 0.000 0.726 5 P HA -0.219 nan 4.420 nan 0.000 0.219 5 P C 1.139 178.457 177.300 0.030 0.000 0.910 5 P CA 1.664 64.750 63.100 -0.024 0.000 1.033 5 P CB -0.209 31.444 31.700 -0.078 0.000 0.630 6 S N -2.536 113.191 115.700 0.044 0.000 2.465 6 S HA -0.202 4.269 4.470 0.001 0.000 0.241 6 S C 1.742 176.398 174.600 0.094 0.000 1.000 6 S CA 0.924 59.177 58.200 0.088 0.000 0.964 6 S CB -1.064 62.145 63.200 0.014 0.000 0.763 6 S HN 0.217 nan 8.310 nan 0.000 0.512 7 Y N 2.402 122.655 120.300 -0.078 0.000 2.084 7 Y HA -0.108 4.443 4.550 0.002 0.000 0.279 7 Y C 2.277 178.138 175.900 -0.065 0.000 1.119 7 Y CA 0.995 59.040 58.100 -0.092 0.000 1.101 7 Y CB -0.950 37.448 38.460 -0.104 0.000 0.989 7 Y HN 0.035 nan 8.280 nan 0.000 0.484 8 V N 0.966 120.706 119.914 -0.290 0.000 2.469 8 V HA -0.334 3.787 4.120 0.001 0.000 0.251 8 V C 2.645 178.560 176.094 -0.298 0.000 1.064 8 V CA 1.764 63.759 62.300 -0.508 0.000 1.066 8 V CB -1.748 29.790 31.823 -0.475 0.000 0.667 8 V HN 0.576 nan 8.190 nan 0.000 0.461 9 A N -1.437 121.334 122.820 -0.082 0.000 1.969 9 A HA -0.216 4.105 4.320 0.001 0.000 0.218 9 A C 2.103 179.682 177.584 -0.009 0.000 1.169 9 A CA 1.574 53.615 52.037 0.006 0.000 0.635 9 A CB -0.670 18.380 19.000 0.084 0.000 0.810 9 A HN 0.698 nan 8.150 nan 0.000 0.445 10 H N -0.731 118.265 119.070 -0.123 0.000 2.448 10 H HA 0.104 4.661 4.556 0.002 0.000 0.292 10 H C 1.914 177.180 175.328 -0.104 0.000 1.035 10 H CA 1.167 57.157 56.048 -0.098 0.000 1.349 10 H CB 0.050 29.768 29.762 -0.073 0.000 1.425 10 H HN 0.394 nan 8.280 nan 0.000 0.539 11 L N 0.184 121.341 121.223 -0.110 0.000 2.109 11 L HA -0.075 4.266 4.340 0.001 0.000 0.207 11 L C 2.875 179.806 176.870 0.101 0.000 1.086 11 L CA 0.750 55.546 54.840 -0.074 0.000 0.760 11 L CB -0.380 41.523 42.059 -0.261 0.000 0.910 11 L HN 0.206 nan 8.230 nan 0.000 0.437 12 A N -0.322 122.534 122.820 0.060 0.000 1.873 12 A HA -0.150 4.171 4.320 0.001 0.000 0.215 12 A C 2.528 180.241 177.584 0.215 0.000 1.186 12 A CA 1.894 54.061 52.037 0.217 0.000 0.616 12 A CB -0.567 18.538 19.000 0.176 0.000 0.823 12 A HN 0.329 nan 8.150 nan 0.000 0.442 13 S N 0.312 116.059 115.700 0.078 0.000 2.356 13 S HA -0.148 4.323 4.470 0.001 0.000 0.223 13 S C 1.648 176.263 174.600 0.025 0.000 1.032 13 S CA 1.404 59.611 58.200 0.012 0.000 1.005 13 S CB -0.444 62.671 63.200 -0.141 0.000 0.867 13 S HN 0.583 nan 8.310 nan 0.000 0.449 14 D N 0.781 121.201 120.400 0.033 0.000 2.117 14 D HA -0.080 4.561 4.640 0.001 0.000 0.197 14 D C 1.608 177.972 176.300 0.107 0.000 0.987 14 D CA 0.800 54.827 54.000 0.045 0.000 0.829 14 D CB -0.398 40.434 40.800 0.053 0.000 0.961 14 D HN 0.391 nan 8.370 nan 0.000 0.460 15 F N 1.631 121.615 119.950 0.056 0.000 2.095 15 F HA -0.079 4.449 4.527 0.002 0.000 0.298 15 F C 2.249 178.110 175.800 0.102 0.000 1.104 15 F CA 2.069 60.116 58.000 0.078 0.000 1.232 15 F CB -0.665 38.396 39.000 0.102 0.000 0.987 15 F HN -0.039 nan 8.300 nan 0.000 0.475 16 G N -0.054 108.705 108.800 -0.068 0.000 2.448 16 G HA2 -0.184 3.777 3.960 0.001 0.000 0.219 16 G HA3 -0.184 3.777 3.960 0.001 0.000 0.219 16 G C 1.663 176.580 174.900 0.028 0.000 1.127 16 G CA 1.144 46.201 45.100 -0.073 0.000 0.766 16 G HN 0.388 nan 8.290 nan 0.000 0.552 17 V N 0.135 120.051 119.914 0.004 0.000 2.453 17 V HA -0.051 4.070 4.120 0.001 0.000 0.247 17 V C 2.765 178.858 176.094 -0.003 0.000 1.048 17 V CA 1.695 64.013 62.300 0.031 0.000 1.049 17 V CB -0.384 31.426 31.823 -0.021 0.000 0.672 17 V HN 0.258 nan 8.190 nan 0.000 0.457 18 R N -0.168 120.282 120.500 -0.083 0.000 2.120 18 R HA -0.108 4.232 4.340 0.001 0.000 0.234 18 R C 2.034 178.222 176.300 -0.187 0.000 1.123 18 R CA 1.230 57.265 56.100 -0.109 0.000 0.975 18 R CB -0.301 29.944 30.300 -0.091 0.000 0.866 18 R HN 0.445 nan 8.270 nan 0.000 0.446 19 V N -0.281 119.466 119.914 -0.279 0.000 2.488 19 V HA -0.144 3.977 4.120 0.001 0.000 0.246 19 V C 1.725 177.567 176.094 -0.419 0.000 1.046 19 V CA 1.268 63.380 62.300 -0.314 0.000 1.053 19 V CB -0.522 31.141 31.823 -0.267 0.000 0.679 19 V HN 0.250 nan 8.190 nan 0.000 0.458 20 F N 1.896 121.563 119.950 -0.472 0.000 2.186 20 F HA -0.192 4.336 4.527 0.001 0.000 0.299 20 F C 2.615 178.195 175.800 -0.366 0.000 1.090 20 F CA 1.746 59.395 58.000 -0.585 0.000 1.307 20 F CB -0.261 38.571 39.000 -0.280 0.000 1.019 20 F HN 0.229 nan 8.300 nan 0.000 0.489 21 Q N -0.410 119.253 119.800 -0.227 0.000 2.096 21 Q HA -0.244 4.097 4.340 0.001 0.000 0.204 21 Q C 1.940 177.742 176.000 -0.330 0.000 0.982 21 Q CA 1.393 57.054 55.803 -0.237 0.000 0.850 21 Q CB -0.754 27.929 28.738 -0.092 0.000 0.901 21 Q HN 0.460 nan 8.270 nan 0.000 0.422 22 Q N 0.753 120.365 119.800 -0.312 0.000 2.079 22 Q HA -0.090 4.251 4.340 0.001 0.000 0.200 22 Q C 2.499 178.293 176.000 -0.344 0.000 0.974 22 Q CA 1.669 57.309 55.803 -0.271 0.000 0.840 22 Q CB -0.610 28.002 28.738 -0.209 0.000 0.898 22 Q HN 0.507 nan 8.270 nan 0.000 0.430 23 V N -1.086 118.525 119.914 -0.505 0.000 2.427 23 V HA -0.047 4.074 4.120 0.001 0.000 0.248 23 V C 2.111 177.895 176.094 -0.517 0.000 1.051 23 V CA 1.840 63.839 62.300 -0.502 0.000 1.048 23 V CB -0.931 30.506 31.823 -0.642 0.000 0.666 23 V HN 0.181 nan 8.190 nan 0.000 0.456 24 A N 1.232 123.603 122.820 -0.748 0.000 1.929 24 A HA -0.190 4.131 4.320 0.001 0.000 0.216 24 A C 2.265 179.654 177.584 -0.325 0.000 1.176 24 A CA 1.684 53.346 52.037 -0.625 0.000 0.628 24 A CB -0.650 17.835 19.000 -0.858 0.000 0.816 24 A HN 0.864 nan 8.150 nan 0.000 0.444 25 Q N -0.691 118.941 119.800 -0.279 0.000 2.500 25 Q HA 0.250 4.590 4.340 0.001 0.000 0.213 25 Q C 1.411 177.326 176.000 -0.142 0.000 0.974 25 Q CA 1.470 57.170 55.803 -0.171 0.000 0.918 25 Q CB -0.263 28.389 28.738 -0.142 0.000 0.980 25 Q HN 0.462 nan 8.270 nan 0.000 0.505 26 A N 0.662 123.381 122.820 -0.168 0.000 1.993 26 A HA 0.048 4.368 4.320 0.001 0.000 0.207 26 A C 2.155 179.674 177.584 -0.109 0.000 1.224 26 A CA 0.501 52.461 52.037 -0.128 0.000 0.749 26 A CB -0.372 18.546 19.000 -0.136 0.000 0.884 26 A HN 0.470 nan 8.150 nan 0.000 0.467 27 S N -0.790 114.830 115.700 -0.134 0.000 2.447 27 S HA -0.074 4.397 4.470 0.001 0.000 0.233 27 S C 1.297 175.859 174.600 -0.064 0.000 1.006 27 S CA 1.392 59.536 58.200 -0.093 0.000 0.957 27 S CB -0.078 63.060 63.200 -0.103 0.000 0.773 27 S HN 0.387 nan 8.310 nan 0.000 0.507 28 K N 0.897 121.253 120.400 -0.074 0.000 8.640 28 K HA -0.213 4.108 4.320 0.001 0.000 0.409 28 K C 0.263 176.850 176.600 -0.023 0.000 0.538 28 K CA 2.358 58.618 56.287 -0.045 0.000 1.437 28 K CB -1.649 30.832 32.500 -0.032 0.000 0.799 28 K HN 0.450 nan 8.250 nan 0.000 1.060 29 D N 0.927 121.323 120.400 -0.008 0.000 2.501 29 D HA 0.063 4.704 4.640 0.001 0.000 0.226 29 D C -0.488 175.823 176.300 0.017 0.000 1.198 29 D CA -0.028 53.978 54.000 0.012 0.000 0.830 29 D CB 0.390 41.201 40.800 0.020 0.000 1.014 29 D HN 0.066 nan 8.370 nan 0.000 0.496 30 R N 1.056 121.560 120.500 0.007 0.000 2.540 30 R HA 0.300 4.641 4.340 0.001 0.000 0.287 30 R C 0.328 176.643 176.300 0.024 0.000 0.980 30 R CA -0.741 55.368 56.100 0.016 0.000 0.966 30 R CB 0.525 30.832 30.300 0.011 0.000 1.106 30 R HN -0.044 nan 8.270 nan 0.000 0.480 31 N N 0.703 119.421 118.700 0.030 0.000 2.458 31 N HA 0.055 4.796 4.740 0.001 0.000 0.258 31 N C -0.637 174.922 175.510 0.081 0.000 1.219 31 N CA 0.315 53.385 53.050 0.035 0.000 0.902 31 N CB 0.799 39.301 38.487 0.024 0.000 1.076 31 N HN 0.143 nan 8.380 nan 0.000 0.455 32 V N 2.388 122.381 119.914 0.132 0.000 2.567 32 V HA 0.210 4.331 4.120 0.001 0.000 0.298 32 V C -0.232 176.064 176.094 0.337 0.000 1.047 32 V CA -0.906 61.519 62.300 0.208 0.000 0.880 32 V CB 1.936 33.844 31.823 0.142 0.000 1.009 32 V HN 0.454 nan 8.190 nan 0.000 0.429 33 V N 2.619 122.748 119.914 0.358 0.000 2.547 33 V HA 0.907 5.028 4.120 0.001 0.000 0.299 33 V C -0.966 175.432 176.094 0.506 0.000 1.040 33 V CA -0.559 61.995 62.300 0.423 0.000 0.913 33 V CB 1.782 33.869 31.823 0.440 0.000 0.992 33 V HN 0.681 nan 8.190 nan 0.000 0.449 34 F N 2.223 122.336 119.950 0.272 0.000 2.693 34 F HA 0.681 5.209 4.527 0.001 0.000 0.309 34 F C -0.319 175.599 175.800 0.195 0.000 1.129 34 F CA -0.342 57.813 58.000 0.258 0.000 0.948 34 F CB 2.184 41.421 39.000 0.394 0.000 1.315 34 F HN 0.689 nan 8.300 nan 0.000 0.447 35 S N 4.949 120.307 115.700 -0.570 0.000 2.516 35 S HA 0.420 4.891 4.470 0.001 0.000 0.268 35 S C -2.275 172.069 174.600 -0.428 0.000 1.251 35 S CA -1.540 56.398 58.200 -0.437 0.000 1.153 35 S CB 0.950 63.910 63.200 -0.401 0.000 1.009 35 S HN 0.416 nan 8.310 nan 0.000 0.479 36 P HA -0.150 nan 4.420 nan 0.000 0.218 36 P C 0.794 178.120 177.300 0.044 0.000 1.146 36 P CA 0.839 63.973 63.100 0.056 0.000 0.813 36 P CB -0.011 31.717 31.700 0.046 0.000 0.778 37 Y N 0.473 120.668 120.300 -0.175 0.000 2.130 37 Y HA -0.029 4.522 4.550 0.001 0.000 0.287 37 Y C 2.438 178.293 175.900 -0.075 0.000 1.124 37 Y CA 1.808 59.837 58.100 -0.119 0.000 1.118 37 Y CB -1.234 37.105 38.460 -0.202 0.000 0.994 37 Y HN -0.132 nan 8.280 nan 0.000 0.497 38 G N 0.261 108.859 108.800 -0.337 0.000 2.672 38 G HA2 -0.366 3.595 3.960 0.001 0.000 0.218 38 G HA3 -0.366 3.595 3.960 0.001 0.000 0.218 38 G C 1.852 176.616 174.900 -0.226 0.000 1.238 38 G CA 1.920 46.802 45.100 -0.364 0.000 0.791 38 G HN 0.450 nan 8.290 nan 0.000 0.606 39 V N 1.306 121.130 119.914 -0.149 0.000 2.688 39 V HA -0.014 4.107 4.120 0.001 0.000 0.256 39 V C 2.998 179.207 176.094 0.192 0.000 1.084 39 V CA 2.459 64.782 62.300 0.039 0.000 1.103 39 V CB -0.566 31.336 31.823 0.131 0.000 0.688 39 V HN 0.514 nan 8.190 nan 0.000 0.480 40 A N -1.301 121.620 122.820 0.168 0.000 1.898 40 A HA -0.113 4.208 4.320 0.001 0.000 0.214 40 A C 2.501 180.158 177.584 0.121 0.000 1.183 40 A CA 1.735 53.951 52.037 0.299 0.000 0.622 40 A CB -0.787 18.414 19.000 0.335 0.000 0.824 40 A HN 0.551 nan 8.150 nan 0.000 0.444 41 S N -0.016 115.640 115.700 -0.075 0.000 2.351 41 S HA -0.176 4.295 4.470 0.001 0.000 0.220 41 S C 2.108 176.658 174.600 -0.084 0.000 1.035 41 S CA 2.434 60.559 58.200 -0.125 0.000 1.031 41 S CB -0.852 62.098 63.200 -0.416 0.000 0.928 41 S HN 0.920 nan 8.310 nan 0.000 0.433 42 V N 0.636 120.487 119.914 -0.105 0.000 2.343 42 V HA -0.045 4.075 4.120 0.001 0.000 0.247 42 V C 2.364 178.426 176.094 -0.054 0.000 1.051 42 V CA 1.369 63.612 62.300 -0.096 0.000 1.036 42 V CB -1.138 30.651 31.823 -0.055 0.000 0.654 42 V HN 0.430 nan 8.190 nan 0.000 0.451 43 L N 0.700 121.931 121.223 0.014 0.000 2.191 43 L HA -0.059 4.282 4.340 0.001 0.000 0.212 43 L C 2.854 179.672 176.870 -0.087 0.000 1.103 43 L CA 2.289 57.129 54.840 -0.000 0.000 0.769 43 L CB -1.622 40.480 42.059 0.071 0.000 0.908 43 L HN 0.536 nan 8.230 nan 0.000 0.438 44 A N -0.825 121.959 122.820 -0.060 0.000 1.968 44 A HA -0.168 4.153 4.320 0.001 0.000 0.217 44 A C 2.294 179.892 177.584 0.024 0.000 1.169 44 A CA 1.124 53.148 52.037 -0.022 0.000 0.638 44 A CB -0.202 18.919 19.000 0.202 0.000 0.812 44 A HN 0.341 nan 8.150 nan 0.000 0.446 45 M N -1.318 118.167 119.600 -0.191 0.000 2.156 45 M HA -0.046 4.435 4.480 0.001 0.000 0.264 45 M C 2.087 178.334 176.300 -0.088 0.000 1.067 45 M CA 1.150 56.112 55.300 -0.563 0.000 1.131 45 M CB -0.416 31.742 32.600 -0.736 0.000 1.368 45 M HN 0.404 nan 8.290 nan 0.000 0.416 46 L N 0.857 122.069 121.223 -0.018 0.000 2.265 46 L HA -0.162 4.179 4.340 0.001 0.000 0.215 46 L C 2.293 179.197 176.870 0.058 0.000 1.117 46 L CA 1.703 56.586 54.840 0.073 0.000 0.782 46 L CB -0.618 41.474 42.059 0.056 0.000 0.914 46 L HN 0.318 nan 8.230 nan 0.000 0.441 47 Q N -1.313 118.480 119.800 -0.011 0.000 2.181 47 Q HA -0.223 4.118 4.340 0.001 0.000 0.205 47 Q C 2.064 178.077 176.000 0.021 0.000 0.980 47 Q CA 1.402 57.175 55.803 -0.050 0.000 0.862 47 Q CB -0.181 28.491 28.738 -0.110 0.000 0.905 47 Q HN 0.406 nan 8.270 nan 0.000 0.429 48 L N 0.174 121.469 121.223 0.120 0.000 2.291 48 L HA -0.093 4.247 4.340 0.001 0.000 0.214 48 L C 2.265 179.279 176.870 0.240 0.000 1.120 48 L CA 1.690 56.682 54.840 0.255 0.000 0.799 48 L CB -0.222 42.061 42.059 0.373 0.000 0.925 48 L HN 0.263 nan 8.230 nan 0.000 0.446 49 T N -4.871 109.756 114.554 0.121 0.000 3.086 49 T HA 0.120 4.471 4.350 0.001 0.000 0.250 49 T C 0.724 175.444 174.700 0.033 0.000 1.074 49 T CA 0.281 62.310 62.100 -0.118 0.000 0.988 49 T CB -0.590 68.287 68.868 0.016 0.000 0.988 49 T HN 0.320 nan 8.240 nan 0.000 0.530 50 T N -1.604 112.923 114.554 -0.046 0.000 2.949 50 T HA 0.804 5.155 4.350 0.001 0.000 0.287 50 T C 0.112 174.712 174.700 -0.166 0.000 1.034 50 T CA -0.558 61.404 62.100 -0.231 0.000 1.018 50 T CB 1.818 70.483 68.868 -0.339 0.000 1.135 50 T HN 0.443 nan 8.240 nan 0.000 0.532 51 G N -1.821 106.852 108.800 -0.212 0.000 2.660 51 G HA2 0.681 4.641 3.960 0.001 0.000 0.290 51 G HA3 0.681 4.641 3.960 0.001 0.000 0.290 51 G C 0.231 175.045 174.900 -0.143 0.000 1.432 51 G CA 0.046 45.067 45.100 -0.131 0.000 0.807 51 G HN 1.571 nan 8.290 nan 0.000 0.485 52 G N -0.020 108.722 108.800 -0.096 0.000 2.582 52 G HA2 -0.310 3.650 3.960 0.001 0.000 0.288 52 G HA3 -0.310 3.650 3.960 0.001 0.000 0.288 52 G C 1.123 175.964 174.900 -0.099 0.000 1.247 52 G CA 1.247 46.296 45.100 -0.085 0.000 0.972 52 G HN 1.198 nan 8.290 nan 0.000 0.557 53 E N -0.844 119.302 120.200 -0.091 0.000 2.118 53 E HA -0.108 4.243 4.350 0.001 0.000 0.195 53 E C 2.585 179.112 176.600 -0.122 0.000 0.992 53 E CA 1.943 58.291 56.400 -0.087 0.000 0.804 53 E CB -0.392 29.269 29.700 -0.065 0.000 0.741 53 E HN 0.516 nan 8.360 nan 0.000 0.458 54 T N 0.448 114.895 114.554 -0.177 0.000 2.929 54 T HA -0.170 4.181 4.350 0.001 0.000 0.271 54 T C 1.642 176.188 174.700 -0.258 0.000 1.085 54 T CA 1.295 63.241 62.100 -0.257 0.000 1.125 54 T CB -0.054 68.556 68.868 -0.430 0.000 0.874 54 T HN 0.294 nan 8.240 nan 0.000 0.494 55 Q N 0.326 119.998 119.800 -0.213 0.000 2.204 55 Q HA 0.020 4.361 4.340 0.001 0.000 0.198 55 Q C 2.204 178.119 176.000 -0.142 0.000 0.946 55 Q CA 0.589 56.284 55.803 -0.180 0.000 0.859 55 Q CB 0.080 28.730 28.738 -0.146 0.000 0.946 55 Q HN 0.535 nan 8.270 nan 0.000 0.474 56 Q N 0.019 119.750 119.800 -0.115 0.000 2.172 56 Q HA -0.148 4.193 4.340 0.001 0.000 0.200 56 Q C 1.984 177.931 176.000 -0.089 0.000 0.964 56 Q CA 1.162 56.911 55.803 -0.090 0.000 0.855 56 Q CB 0.115 28.814 28.738 -0.067 0.000 0.918 56 Q HN 0.477 nan 8.270 nan 0.000 0.444 57 Q N -0.041 119.704 119.800 -0.091 0.000 2.224 57 Q HA -0.110 4.231 4.340 0.001 0.000 0.203 57 Q C 1.928 177.880 176.000 -0.081 0.000 0.970 57 Q CA 0.665 56.426 55.803 -0.068 0.000 0.865 57 Q CB 0.125 28.827 28.738 -0.060 0.000 0.922 57 Q HN 0.341 nan 8.270 nan 0.000 0.445 58 I N 0.583 121.075 120.570 -0.130 0.000 2.585 58 I HA -0.151 4.020 4.170 0.001 0.000 0.254 58 I C 1.680 177.636 176.117 -0.269 0.000 1.129 58 I CA 1.180 62.371 61.300 -0.182 0.000 1.455 58 I CB -0.117 37.768 38.000 -0.192 0.000 1.111 58 I HN 0.246 nan 8.210 nan 0.000 0.433 59 Q N 0.431 120.090 119.800 -0.234 0.000 2.297 59 Q HA -0.069 4.272 4.340 0.001 0.000 0.204 59 Q C 2.157 178.044 176.000 -0.189 0.000 0.962 59 Q CA 1.401 57.046 55.803 -0.264 0.000 0.879 59 Q CB 0.028 28.653 28.738 -0.188 0.000 0.947 59 Q HN 0.538 nan 8.270 nan 0.000 0.462 60 A N 1.210 123.956 122.820 -0.124 0.000 1.874 60 A HA 0.053 4.374 4.320 0.001 0.000 0.214 60 A C 2.329 179.887 177.584 -0.045 0.000 1.189 60 A CA 1.158 53.158 52.037 -0.061 0.000 0.615 60 A CB -0.700 18.279 19.000 -0.035 0.000 0.830 60 A HN 0.342 nan 8.150 nan 0.000 0.443 61 A N -0.242 122.547 122.820 -0.052 0.000 1.883 61 A HA -0.179 4.141 4.320 0.001 0.000 0.217 61 A C 2.285 179.855 177.584 -0.023 0.000 1.186 61 A CA 2.066 54.129 52.037 0.043 0.000 0.624 61 A CB -0.567 18.500 19.000 0.112 0.000 0.822 61 A HN 0.530 nan 8.150 nan 0.000 0.444 62 M N -2.328 117.008 119.600 -0.440 0.000 2.334 62 M HA 0.150 4.630 4.480 0.001 0.000 0.266 62 M C 1.487 177.704 176.300 -0.138 0.000 1.082 62 M CA 1.060 55.971 55.300 -0.649 0.000 1.141 62 M CB 0.067 32.060 32.600 -1.012 0.000 1.380 62 M HN 0.697 nan 8.290 nan 0.000 0.440 63 G N 1.740 110.470 108.800 -0.117 0.000 2.130 63 G HA2 -0.240 3.720 3.960 0.001 0.000 0.216 63 G HA3 -0.240 3.720 3.960 0.001 0.000 0.216 63 G C -0.258 174.741 174.900 0.165 0.000 0.999 63 G CA 0.052 45.179 45.100 0.045 0.000 0.686 63 G HN 0.581 nan 8.290 nan 0.000 0.515 64 F N -1.846 118.050 119.950 -0.089 0.000 2.690 64 F HA 0.683 5.211 4.527 0.001 0.000 0.311 64 F C -0.734 175.030 175.800 -0.061 0.000 1.111 64 F CA -1.952 56.011 58.000 -0.060 0.000 1.003 64 F CB 0.609 39.566 39.000 -0.073 0.000 1.283 64 F HN 0.005 nan 8.300 nan 0.000 0.442 65 K N 3.539 123.956 120.400 0.029 0.000 2.312 65 K HA 0.342 4.663 4.320 0.001 0.000 0.287 65 K C 0.601 177.245 176.600 0.073 0.000 1.062 65 K CA -0.616 55.646 56.287 -0.041 0.000 0.934 65 K CB 1.898 34.406 32.500 0.013 0.000 1.027 65 K HN 0.759 nan 8.250 nan 0.000 0.478 66 I N 2.374 122.931 120.570 -0.022 0.000 2.700 66 I HA -0.189 3.982 4.170 0.001 0.000 0.261 66 I C 0.697 176.844 176.117 0.051 0.000 1.219 66 I CA 1.655 63.005 61.300 0.084 0.000 1.463 66 I CB -0.110 37.919 38.000 0.049 0.000 1.092 66 I HN 0.634 nan 8.210 nan 0.000 0.452 67 D N -0.014 120.420 120.400 0.057 0.000 2.328 67 D HA 0.013 4.654 4.640 0.001 0.000 0.221 67 D C -0.133 176.205 176.300 0.063 0.000 1.072 67 D CA 0.114 54.159 54.000 0.075 0.000 0.850 67 D CB 0.036 40.904 40.800 0.114 0.000 0.922 67 D HN 0.296 nan 8.370 nan 0.000 0.516 68 D N 0.875 121.318 120.400 0.072 0.000 2.255 68 D HA 0.010 4.651 4.640 0.001 0.000 0.249 68 D C 0.333 176.662 176.300 0.048 0.000 1.078 68 D CA -0.367 53.673 54.000 0.066 0.000 0.896 68 D CB 0.845 41.701 40.800 0.093 0.000 1.194 68 D HN -0.136 nan 8.370 nan 0.000 0.429 69 K N 1.255 121.674 120.400 0.032 0.000 2.513 69 K HA -0.118 4.202 4.320 0.001 0.000 0.275 69 K C 0.947 177.553 176.600 0.010 0.000 1.025 69 K CA 1.153 57.448 56.287 0.015 0.000 1.125 69 K CB -0.205 32.301 32.500 0.009 0.000 0.843 69 K HN 0.710 nan 8.250 nan 0.000 0.486 70 G N 4.536 113.331 108.800 -0.009 0.000 2.189 70 G HA2 -0.321 3.639 3.960 0.001 0.000 0.267 70 G HA3 -0.321 3.639 3.960 0.001 0.000 0.267 70 G C 0.981 175.859 174.900 -0.036 0.000 0.975 70 G CA 0.606 45.692 45.100 -0.022 0.000 0.644 70 G HN 0.569 nan 8.290 nan 0.000 0.537 71 M N 0.446 120.032 119.600 -0.024 0.000 2.066 71 M HA 0.103 4.584 4.480 0.001 0.000 0.259 71 M C 3.048 179.294 176.300 -0.091 0.000 1.074 71 M CA 2.408 57.678 55.300 -0.049 0.000 1.114 71 M CB -1.683 30.970 32.600 0.088 0.000 1.306 71 M HN 0.618 nan 8.290 nan 0.000 0.411 72 A N 0.323 123.064 122.820 -0.133 0.000 1.902 72 A HA -0.085 4.236 4.320 0.001 0.000 0.217 72 A C -0.246 177.217 177.584 -0.200 0.000 1.181 72 A CA 1.377 53.242 52.037 -0.286 0.000 0.623 72 A CB -2.050 16.646 19.000 -0.506 0.000 0.818 72 A HN 0.323 nan 8.150 nan 0.000 0.443 73 P HA -0.133 nan 4.420 nan 0.000 0.215 73 P C 1.742 179.037 177.300 -0.007 0.000 1.153 73 P CA 1.963 65.024 63.100 -0.065 0.000 0.853 73 P CB -0.070 31.602 31.700 -0.047 0.000 0.788 74 A N -1.055 121.748 122.820 -0.027 0.000 1.898 74 A HA -0.150 4.171 4.320 0.001 0.000 0.216 74 A C 2.103 179.719 177.584 0.053 0.000 1.181 74 A CA 1.286 53.321 52.037 -0.004 0.000 0.620 74 A CB -1.602 17.369 19.000 -0.047 0.000 0.819 74 A HN 0.086 nan 8.150 nan 0.000 0.442 75 L N 0.440 121.666 121.223 0.006 0.000 2.046 75 L HA -0.148 4.193 4.340 0.001 0.000 0.208 75 L C 2.693 179.632 176.870 0.116 0.000 1.077 75 L CA 2.391 57.266 54.840 0.059 0.000 0.747 75 L CB -0.577 41.492 42.059 0.016 0.000 0.896 75 L HN 0.635 nan 8.230 nan 0.000 0.432 76 R N -2.099 118.430 120.500 0.048 0.000 2.193 76 R HA -0.178 4.163 4.340 0.001 0.000 0.213 76 R C 2.179 178.566 176.300 0.146 0.000 1.055 76 R CA 1.469 57.618 56.100 0.081 0.000 0.995 76 R CB -0.808 29.474 30.300 -0.029 0.000 0.893 76 R HN 0.485 nan 8.270 nan 0.000 0.459 77 H N 0.647 119.749 119.070 0.054 0.000 2.357 77 H HA -0.002 4.555 4.556 0.002 0.000 0.301 77 H C 2.033 177.411 175.328 0.083 0.000 1.082 77 H CA 1.741 57.825 56.048 0.060 0.000 1.342 77 H CB 0.032 29.815 29.762 0.036 0.000 1.389 77 H HN 0.196 nan 8.280 nan 0.000 0.511 78 L N -0.502 120.861 121.223 0.233 0.000 2.012 78 L HA -0.233 4.108 4.340 0.001 0.000 0.210 78 L C 2.064 178.985 176.870 0.085 0.000 1.073 78 L CA 1.670 56.599 54.840 0.147 0.000 0.748 78 L CB -0.463 41.674 42.059 0.131 0.000 0.891 78 L HN 0.375 nan 8.230 nan 0.000 0.431 79 Y N 1.023 121.361 120.300 0.063 0.000 2.165 79 Y HA -0.296 4.255 4.550 0.001 0.000 0.286 79 Y C 2.482 178.399 175.900 0.027 0.000 1.155 79 Y CA 1.683 59.839 58.100 0.094 0.000 1.164 79 Y CB -0.072 38.472 38.460 0.140 0.000 0.978 79 Y HN 0.095 nan 8.280 nan 0.000 0.513 80 K N 0.290 120.701 120.400 0.018 0.000 2.211 80 K HA -0.175 4.146 4.320 0.001 0.000 0.203 80 K C 1.999 178.540 176.600 -0.099 0.000 1.050 80 K CA 1.409 57.648 56.287 -0.080 0.000 0.945 80 K CB -0.369 32.087 32.500 -0.072 0.000 0.732 80 K HN 0.531 nan 8.250 nan 0.000 0.451 81 E N 0.737 120.881 120.200 -0.093 0.000 2.046 81 E HA -0.043 4.307 4.350 0.001 0.000 0.190 81 E C 1.992 178.712 176.600 0.200 0.000 0.982 81 E CA 0.516 56.934 56.400 0.030 0.000 0.800 81 E CB 0.076 29.783 29.700 0.012 0.000 0.756 81 E HN 0.134 nan 8.360 nan 0.000 0.449 82 L N 0.101 121.316 121.223 -0.014 0.000 2.093 82 L HA -0.106 4.235 4.340 0.001 0.000 0.208 82 L C 1.813 178.595 176.870 -0.147 0.000 1.085 82 L CA 0.525 55.407 54.840 0.070 0.000 0.755 82 L CB -0.153 41.820 42.059 -0.143 0.000 0.904 82 L HN 0.248 nan 8.230 nan 0.000 0.435 83 M N 0.269 119.696 119.600 -0.288 0.000 2.571 83 M HA 0.212 4.693 4.480 0.001 0.000 0.235 83 M C 1.037 177.166 176.300 -0.285 0.000 1.216 83 M CA -0.165 54.916 55.300 -0.364 0.000 0.979 83 M CB -1.465 30.864 32.600 -0.452 0.000 1.616 83 M HN 0.038 nan 8.290 nan 0.000 0.469 84 G N 1.897 110.564 108.800 -0.222 0.000 2.570 84 G HA2 0.232 4.192 3.960 0.001 0.000 0.276 84 G HA3 0.232 4.192 3.960 0.001 0.000 0.276 84 G C -1.392 173.353 174.900 -0.258 0.000 1.346 84 G CA -0.602 44.436 45.100 -0.103 0.000 1.034 84 G HN 0.229 nan 8.290 nan 0.000 0.512 85 P HA -0.045 nan 4.420 nan 0.000 0.233 85 P C 1.512 178.796 177.300 -0.026 0.000 1.167 85 P CA 0.949 64.016 63.100 -0.056 0.000 0.770 85 P CB 0.001 31.720 31.700 0.032 0.000 0.837 86 W N 0.093 121.436 121.300 0.072 0.000 2.476 86 W HA 0.073 4.734 4.660 0.002 0.000 0.281 86 W C 0.399 177.030 176.519 0.188 0.000 1.230 86 W CA -0.122 57.317 57.345 0.155 0.000 1.287 86 W CB -2.000 27.564 29.460 0.173 0.000 1.108 86 W HN -0.098 nan 8.180 nan 0.000 0.567 87 N N 3.221 121.271 118.700 -1.084 0.000 2.400 87 N HA -0.060 4.681 4.740 0.001 0.000 0.278 87 N C -0.001 175.285 175.510 -0.372 0.000 1.247 87 N CA 0.467 52.901 53.050 -1.025 0.000 0.970 87 N CB 0.255 37.979 38.487 -1.272 0.000 1.312 87 N HN 0.057 nan 8.380 nan 0.000 0.488 88 K N 2.789 123.116 120.400 -0.121 0.000 3.006 88 K HA 0.033 4.354 4.320 0.001 0.000 0.262 88 K C -0.519 176.026 176.600 -0.091 0.000 1.289 88 K CA -0.301 55.941 56.287 -0.075 0.000 1.245 88 K CB -0.135 32.357 32.500 -0.014 0.000 1.614 88 K HN 0.439 nan 8.250 nan 0.000 0.322 89 D N 1.128 121.452 120.400 -0.128 0.000 2.800 89 D HA -0.153 4.488 4.640 0.001 0.000 0.232 89 D C 0.568 176.836 176.300 -0.054 0.000 1.137 89 D CA 1.027 54.975 54.000 -0.086 0.000 0.718 89 D CB -0.838 39.919 40.800 -0.072 0.000 1.084 89 D HN 0.514 nan 8.370 nan 0.000 0.432 90 E N -0.379 119.757 120.200 -0.107 0.000 2.140 90 E HA 0.141 4.492 4.350 0.001 0.000 0.191 90 E C 1.279 177.831 176.600 -0.080 0.000 0.973 90 E CA 0.447 56.736 56.400 -0.186 0.000 0.829 90 E CB 0.936 30.506 29.700 -0.216 0.000 0.781 90 E HN 0.498 nan 8.360 nan 0.000 0.466 91 I N 0.353 120.965 120.570 0.069 0.000 2.468 91 I HA 0.274 4.445 4.170 0.001 0.000 0.284 91 I C -1.380 174.844 176.117 0.179 0.000 1.038 91 I CA -0.460 60.986 61.300 0.243 0.000 1.083 91 I CB 1.689 39.946 38.000 0.429 0.000 1.223 91 I HN -0.174 nan 8.210 nan 0.000 0.443 92 S N 5.157 121.013 115.700 0.260 0.000 2.473 92 S HA 0.775 5.246 4.470 0.001 0.000 0.307 92 S C -0.359 174.397 174.600 0.259 0.000 1.094 92 S CA -0.262 58.054 58.200 0.192 0.000 1.070 92 S CB 1.284 64.562 63.200 0.129 0.000 1.019 92 S HN 0.801 nan 8.310 nan 0.000 0.480 93 T N 0.663 115.368 114.554 0.252 0.000 2.865 93 T HA 0.809 5.160 4.350 0.001 0.000 0.294 93 T C -0.749 174.129 174.700 0.297 0.000 1.119 93 T CA -0.620 61.655 62.100 0.292 0.000 1.007 93 T CB 1.918 70.994 68.868 0.347 0.000 1.225 93 T HN 0.538 nan 8.240 nan 0.000 0.515 94 T N 0.757 115.469 114.554 0.263 0.000 3.393 94 T HA 0.438 4.789 4.350 0.001 0.000 0.359 94 T C -2.466 172.349 174.700 0.191 0.000 1.380 94 T CA -0.665 61.605 62.100 0.284 0.000 1.132 94 T CB 1.149 70.247 68.868 0.383 0.000 1.284 94 T HN 0.750 nan 8.240 nan 0.000 0.477 95 D N 2.885 123.347 120.400 0.104 0.000 2.502 95 D HA 0.660 5.301 4.640 0.001 0.000 0.249 95 D C -0.658 175.560 176.300 -0.137 0.000 1.092 95 D CA -0.430 53.554 54.000 -0.026 0.000 0.839 95 D CB 1.968 42.696 40.800 -0.121 0.000 1.264 95 D HN 0.742 nan 8.370 nan 0.000 0.511 96 A N 2.541 125.246 122.820 -0.192 0.000 2.422 96 A HA 0.657 4.978 4.320 0.001 0.000 0.302 96 A C -0.889 176.454 177.584 -0.403 0.000 1.041 96 A CA -0.694 51.035 52.037 -0.514 0.000 0.708 96 A CB 1.191 19.697 19.000 -0.824 0.000 1.257 96 A HN 0.546 nan 8.150 nan 0.000 0.414 97 I N 2.324 122.525 120.570 -0.615 0.000 2.382 97 I HA 0.365 4.536 4.170 0.001 0.000 0.286 97 I C -1.392 174.395 176.117 -0.550 0.000 1.002 97 I CA -0.245 60.825 61.300 -0.384 0.000 1.135 97 I CB 1.198 39.026 38.000 -0.286 0.000 1.288 97 I HN 0.548 nan 8.210 nan 0.000 0.448 98 F N 6.319 126.180 119.950 -0.148 0.000 2.411 98 F HA 0.510 5.038 4.527 0.002 0.000 0.352 98 F C 0.153 175.993 175.800 0.066 0.000 1.123 98 F CA -0.687 57.272 58.000 -0.068 0.000 1.044 98 F CB 1.541 40.568 39.000 0.043 0.000 1.135 98 F HN 0.098 nan 8.300 nan 0.000 0.461 99 V N 3.070 123.056 119.914 0.119 0.000 2.919 99 V HA 0.463 4.584 4.120 0.001 0.000 0.316 99 V C -0.699 175.473 176.094 0.131 0.000 1.077 99 V CA -0.831 61.552 62.300 0.140 0.000 0.977 99 V CB 2.079 33.896 31.823 -0.011 0.000 1.039 99 V HN 0.697 nan 8.190 nan 0.000 0.441 100 Q N 3.081 123.004 119.800 0.205 0.000 2.289 100 Q HA 0.134 4.475 4.340 0.001 0.000 0.273 100 Q C 1.120 177.113 176.000 -0.013 0.000 1.029 100 Q CA 0.906 56.773 55.803 0.107 0.000 0.896 100 Q CB 0.567 29.408 28.738 0.171 0.000 1.182 100 Q HN 0.663 nan 8.270 nan 0.000 0.385 101 R N 3.355 123.807 120.500 -0.080 0.000 2.120 101 R HA -0.166 4.175 4.340 0.001 0.000 0.234 101 R C 0.673 176.955 176.300 -0.031 0.000 1.123 101 R CA 1.658 57.720 56.100 -0.064 0.000 0.975 101 R CB 0.118 30.368 30.300 -0.083 0.000 0.866 101 R HN 0.766 nan 8.270 nan 0.000 0.446 102 D N 0.312 120.701 120.400 -0.019 0.000 2.264 102 D HA -0.088 4.553 4.640 0.001 0.000 0.208 102 D C -0.043 176.257 176.300 0.001 0.000 0.966 102 D CA 0.354 54.350 54.000 -0.005 0.000 0.864 102 D CB -0.039 40.763 40.800 0.003 0.000 0.933 102 D HN 0.052 nan 8.370 nan 0.000 0.499 103 L N 1.581 122.806 121.223 0.004 0.000 2.499 103 L HA 0.015 4.356 4.340 0.001 0.000 0.273 103 L C 0.382 177.255 176.870 0.005 0.000 1.195 103 L CA 0.423 55.266 54.840 0.004 0.000 0.882 103 L CB 0.530 42.590 42.059 0.001 0.000 1.133 103 L HN -0.183 nan 8.230 nan 0.000 0.483 104 K N 5.032 125.437 120.400 0.008 0.000 2.338 104 K HA 0.251 4.572 4.320 0.001 0.000 0.290 104 K C -0.616 175.995 176.600 0.019 0.000 1.069 104 K CA -0.677 55.618 56.287 0.013 0.000 0.941 104 K CB 0.394 32.902 32.500 0.014 0.000 1.023 104 K HN 0.243 nan 8.250 nan 0.000 0.477 105 L N 2.684 123.927 121.223 0.033 0.000 2.421 105 L HA 0.197 4.538 4.340 0.001 0.000 0.263 105 L C 0.228 177.140 176.870 0.070 0.000 1.122 105 L CA -0.534 54.341 54.840 0.058 0.000 0.804 105 L CB 1.068 43.190 42.059 0.105 0.000 1.150 105 L HN 0.302 nan 8.230 nan 0.000 0.457 106 V N 1.595 121.562 119.914 0.088 0.000 2.637 106 V HA 0.031 4.152 4.120 0.001 0.000 0.296 106 V C 0.605 176.779 176.094 0.134 0.000 1.046 106 V CA -0.450 61.907 62.300 0.096 0.000 1.066 106 V CB 0.829 32.703 31.823 0.086 0.000 0.968 106 V HN 0.778 nan 8.190 nan 0.000 0.483 107 Q N 3.373 123.229 119.800 0.094 0.000 2.282 107 Q HA 0.230 4.571 4.340 0.001 0.000 0.276 107 Q C 0.998 177.064 176.000 0.110 0.000 1.198 107 Q CA 0.901 56.755 55.803 0.085 0.000 0.943 107 Q CB -0.354 28.417 28.738 0.056 0.000 1.275 107 Q HN 1.167 nan 8.270 nan 0.000 0.424 108 G N 3.845 112.722 108.800 0.128 0.000 2.179 108 G HA2 -0.304 3.657 3.960 0.001 0.000 0.220 108 G HA3 -0.304 3.657 3.960 0.001 0.000 0.220 108 G C 0.009 175.050 174.900 0.235 0.000 0.990 108 G CA 0.089 45.275 45.100 0.143 0.000 0.646 108 G HN 0.680 nan 8.290 nan 0.000 0.517 109 F N 1.412 121.445 119.950 0.138 0.000 2.128 109 F HA 0.229 4.757 4.527 0.001 0.000 0.295 109 F C 2.548 178.474 175.800 0.209 0.000 1.100 109 F CA 2.134 60.248 58.000 0.189 0.000 1.260 109 F CB -0.199 38.880 39.000 0.131 0.000 1.009 109 F HN 0.126 nan 8.300 nan 0.000 0.476 110 M N 0.523 120.023 119.600 -0.167 0.000 2.086 110 M HA -0.081 4.399 4.480 0.001 0.000 0.261 110 M C -0.289 175.973 176.300 -0.062 0.000 1.067 110 M CA 1.619 56.768 55.300 -0.251 0.000 1.116 110 M CB -2.602 29.929 32.600 -0.116 0.000 1.348 110 M HN 0.052 nan 8.290 nan 0.000 0.407 111 P HA -0.158 nan 4.420 nan 0.000 0.215 111 P C 1.705 179.123 177.300 0.197 0.000 1.157 111 P CA 1.317 64.479 63.100 0.103 0.000 0.868 111 P CB -0.348 31.404 31.700 0.087 0.000 0.788 112 H N -1.892 117.216 119.070 0.064 0.000 2.353 112 H HA -0.161 4.396 4.556 0.002 0.000 0.300 112 H C 1.976 177.351 175.328 0.078 0.000 1.090 112 H CA 1.085 57.175 56.048 0.071 0.000 1.327 112 H CB -0.490 29.325 29.762 0.089 0.000 1.383 112 H HN -0.010 nan 8.280 nan 0.000 0.508 113 F N 0.738 120.527 119.950 -0.270 0.000 2.126 113 F HA -0.224 4.304 4.527 0.001 0.000 0.299 113 F C 2.264 178.043 175.800 -0.035 0.000 1.096 113 F CA 1.478 59.311 58.000 -0.278 0.000 1.255 113 F CB -0.829 37.803 39.000 -0.613 0.000 0.997 113 F HN 0.161 nan 8.300 nan 0.000 0.479 114 F N 1.084 121.156 119.950 0.204 0.000 2.102 114 F HA -0.157 4.370 4.527 0.001 0.000 0.298 114 F C 2.780 178.625 175.800 0.075 0.000 1.105 114 F CA 2.135 60.233 58.000 0.162 0.000 1.239 114 F CB -0.652 38.392 39.000 0.073 0.000 0.991 114 F HN -0.095 nan 8.300 nan 0.000 0.474 115 R N 0.288 120.875 120.500 0.145 0.000 2.105 115 R HA -0.166 4.174 4.340 0.001 0.000 0.239 115 R C 2.125 178.335 176.300 -0.149 0.000 1.135 115 R CA 1.695 57.812 56.100 0.029 0.000 0.967 115 R CB -0.391 29.986 30.300 0.129 0.000 0.861 115 R HN 0.382 nan 8.270 nan 0.000 0.442 116 L N -0.658 120.418 121.223 -0.244 0.000 2.095 116 L HA -0.068 4.273 4.340 0.001 0.000 0.204 116 L C 1.646 178.079 176.870 -0.730 0.000 1.080 116 L CA 1.521 56.055 54.840 -0.510 0.000 0.759 116 L CB -0.339 41.297 42.059 -0.705 0.000 0.914 116 L HN 0.232 nan 8.230 nan 0.000 0.439 117 F N -1.120 118.591 119.950 -0.398 0.000 2.720 117 F HA 0.216 4.744 4.527 0.002 0.000 0.301 117 F C 0.649 176.248 175.800 -0.334 0.000 1.103 117 F CA -0.477 57.314 58.000 -0.349 0.000 1.291 117 F CB 0.289 39.042 39.000 -0.413 0.000 1.086 117 F HN -0.088 nan 8.300 nan 0.000 0.592 118 R N 0.740 120.990 120.500 -0.417 0.000 3.525 118 R HA -0.156 4.185 4.340 0.001 0.000 0.276 118 R C -0.792 175.229 176.300 -0.466 0.000 1.116 118 R CA 0.503 56.078 56.100 -0.875 0.000 0.745 118 R CB -2.892 27.131 30.300 -0.463 0.000 1.185 118 R HN 0.273 nan 8.270 nan 0.000 0.454 119 S N -1.371 114.244 115.700 -0.142 0.000 2.638 119 S HA 0.720 5.190 4.470 0.001 0.000 0.274 119 S C -0.224 174.559 174.600 0.304 0.000 1.157 119 S CA -0.195 58.105 58.200 0.167 0.000 0.826 119 S CB 2.724 66.010 63.200 0.143 0.000 1.139 119 S HN 0.307 nan 8.310 nan 0.000 0.474 120 T N -1.453 113.137 114.554 0.059 0.000 2.907 120 T HA 0.708 5.059 4.350 0.001 0.000 0.292 120 T C -0.627 173.714 174.700 -0.599 0.000 1.043 120 T CA -0.721 61.259 62.100 -0.200 0.000 1.003 120 T CB 1.054 69.866 68.868 -0.093 0.000 1.084 120 T HN 0.309 nan 8.240 nan 0.000 0.483 121 V N 3.706 123.126 119.914 -0.823 0.000 2.508 121 V HA 0.272 4.393 4.120 0.001 0.000 0.281 121 V C 0.412 176.160 176.094 -0.578 0.000 1.041 121 V CA -0.640 61.186 62.300 -0.790 0.000 1.016 121 V CB 0.377 31.813 31.823 -0.645 0.000 0.984 121 V HN 0.754 nan 8.190 nan 0.000 0.478 122 K N 4.755 124.715 120.400 -0.733 0.000 2.270 122 K HA 0.396 4.717 4.320 0.001 0.000 0.276 122 K C -0.282 176.095 176.600 -0.371 0.000 1.023 122 K CA -0.093 55.793 56.287 -0.669 0.000 0.955 122 K CB 0.781 32.545 32.500 -1.228 0.000 0.975 122 K HN 0.657 nan 8.250 nan 0.000 0.471 123 Q N 0.848 120.514 119.800 -0.222 0.000 2.312 123 Q HA 0.575 4.916 4.340 0.001 0.000 0.263 123 Q C -0.664 175.251 176.000 -0.142 0.000 0.995 123 Q CA -0.996 54.718 55.803 -0.148 0.000 0.853 123 Q CB 2.137 30.805 28.738 -0.116 0.000 1.300 123 Q HN 0.457 nan 8.270 nan 0.000 0.448 124 V N -1.615 118.141 119.914 -0.264 0.000 3.087 124 V HA 0.435 4.556 4.120 0.001 0.000 0.306 124 V C -1.302 174.490 176.094 -0.503 0.000 1.187 124 V CA -1.209 60.860 62.300 -0.385 0.000 0.999 124 V CB 2.156 33.649 31.823 -0.549 0.000 1.049 124 V HN 0.706 nan 8.190 nan 0.000 0.431 125 D N 1.591 121.797 120.400 -0.322 0.000 2.441 125 D HA 0.422 5.063 4.640 0.001 0.000 0.221 125 D C 0.396 176.582 176.300 -0.189 0.000 1.156 125 D CA -0.383 53.499 54.000 -0.196 0.000 0.896 125 D CB 0.515 41.263 40.800 -0.086 0.000 1.028 125 D HN 0.412 nan 8.370 nan 0.000 0.509 126 F N 1.533 121.474 119.950 -0.014 0.000 2.494 126 F HA -0.098 4.429 4.527 0.001 0.000 0.298 126 F C 2.612 178.400 175.800 -0.020 0.000 1.106 126 F CA 0.706 58.691 58.000 -0.025 0.000 1.452 126 F CB -0.462 38.512 39.000 -0.043 0.000 1.085 126 F HN 0.409 nan 8.300 nan 0.000 0.569 127 S N -1.059 114.715 115.700 0.123 0.000 2.423 127 S HA -0.106 4.365 4.470 0.001 0.000 0.231 127 S C 1.087 175.720 174.600 0.055 0.000 1.014 127 S CA 0.752 58.997 58.200 0.075 0.000 0.965 127 S CB -0.302 62.925 63.200 0.045 0.000 0.785 127 S HN 0.255 nan 8.310 nan 0.000 0.495 128 E N 2.265 122.490 120.200 0.042 0.000 2.325 128 E HA 0.266 4.617 4.350 0.001 0.000 0.295 128 E C 1.325 177.955 176.600 0.050 0.000 1.461 128 E CA -0.195 56.222 56.400 0.029 0.000 1.698 128 E CB 0.147 29.851 29.700 0.007 0.000 1.496 128 E HN 0.308 nan 8.360 nan 0.000 0.474 129 V N 0.825 120.780 119.914 0.068 0.000 2.240 129 V HA -0.398 3.723 4.120 0.001 0.000 0.257 129 V C 2.267 178.407 176.094 0.077 0.000 1.067 129 V CA 2.491 64.840 62.300 0.081 0.000 1.067 129 V CB -0.519 31.338 31.823 0.057 0.000 0.683 129 V HN 0.386 nan 8.190 nan 0.000 0.461 130 E N -0.520 119.716 120.200 0.060 0.000 2.097 130 E HA -0.245 4.106 4.350 0.001 0.000 0.196 130 E C 2.216 178.875 176.600 0.098 0.000 1.000 130 E CA 1.676 58.117 56.400 0.068 0.000 0.804 130 E CB -0.285 29.437 29.700 0.036 0.000 0.740 130 E HN 0.435 nan 8.360 nan 0.000 0.454 131 R N -0.037 120.506 120.500 0.072 0.000 2.075 131 R HA 0.070 4.411 4.340 0.001 0.000 0.232 131 R C 1.986 178.361 176.300 0.126 0.000 1.126 131 R CA 1.563 57.719 56.100 0.094 0.000 0.963 131 R CB -0.834 29.489 30.300 0.039 0.000 0.858 131 R HN 0.192 nan 8.270 nan 0.000 0.435 132 A N 0.723 123.582 122.820 0.065 0.000 1.883 132 A HA -0.183 4.138 4.320 0.001 0.000 0.217 132 A C 2.187 179.780 177.584 0.016 0.000 1.186 132 A CA 1.762 53.808 52.037 0.014 0.000 0.624 132 A CB -0.485 18.568 19.000 0.088 0.000 0.822 132 A HN 0.375 nan 8.150 nan 0.000 0.444 133 R N -1.950 118.590 120.500 0.066 0.000 2.081 133 R HA -0.099 4.242 4.340 0.001 0.000 0.235 133 R C 2.071 178.404 176.300 0.055 0.000 1.131 133 R CA 1.564 57.686 56.100 0.037 0.000 0.960 133 R CB -0.564 29.779 30.300 0.071 0.000 0.856 133 R HN 0.613 nan 8.270 nan 0.000 0.436 134 F N 1.705 121.662 119.950 0.011 0.000 2.102 134 F HA -0.148 4.379 4.527 0.001 0.000 0.298 134 F C 2.008 177.830 175.800 0.037 0.000 1.105 134 F CA 1.362 59.382 58.000 0.033 0.000 1.239 134 F CB -0.210 38.808 39.000 0.030 0.000 0.991 134 F HN -0.134 nan 8.300 nan 0.000 0.474 135 I N 0.297 120.915 120.570 0.081 0.000 2.264 135 I HA -0.342 3.829 4.170 0.001 0.000 0.248 135 I C 2.303 178.386 176.117 -0.058 0.000 1.111 135 I CA 1.593 62.909 61.300 0.027 0.000 1.382 135 I CB -0.454 37.614 38.000 0.113 0.000 1.060 135 I HN 0.227 nan 8.210 nan 0.000 0.418 136 I N 0.362 120.804 120.570 -0.214 0.000 2.277 136 I HA -0.223 3.948 4.170 0.001 0.000 0.243 136 I C 2.023 178.074 176.117 -0.110 0.000 1.094 136 I CA 1.070 62.143 61.300 -0.378 0.000 1.393 136 I CB -0.470 37.164 38.000 -0.610 0.000 1.078 136 I HN 0.241 nan 8.210 nan 0.000 0.417 137 N N 0.617 119.242 118.700 -0.125 0.000 2.396 137 N HA -0.182 4.559 4.740 0.001 0.000 0.180 137 N C 1.399 176.853 175.510 -0.094 0.000 1.028 137 N CA 1.250 54.260 53.050 -0.068 0.000 0.893 137 N CB -0.289 38.189 38.487 -0.014 0.000 0.967 137 N HN 0.392 nan 8.380 nan 0.000 0.440 138 D N -0.109 120.148 120.400 -0.238 0.000 2.137 138 D HA -0.123 4.518 4.640 0.001 0.000 0.202 138 D C 1.804 178.087 176.300 -0.028 0.000 0.970 138 D CA 0.561 54.390 54.000 -0.285 0.000 0.837 138 D CB -0.013 40.406 40.800 -0.635 0.000 0.981 138 D HN 0.233 nan 8.370 nan 0.000 0.475 139 W N 1.133 122.431 121.300 -0.002 0.000 2.335 139 W HA -0.213 4.448 4.660 0.002 0.000 0.311 139 W C 1.621 178.255 176.519 0.192 0.000 1.213 139 W CA 1.130 58.568 57.345 0.155 0.000 1.274 139 W CB -0.579 29.012 29.460 0.219 0.000 1.148 139 W HN -0.085 nan 8.180 nan 0.000 0.498 140 V N 1.434 121.537 119.914 0.315 0.000 2.295 140 V HA -0.331 3.789 4.120 0.001 0.000 0.246 140 V C 2.544 178.689 176.094 0.085 0.000 1.049 140 V CA 2.503 64.944 62.300 0.234 0.000 1.024 140 V CB -1.127 30.808 31.823 0.188 0.000 0.648 140 V HN 0.113 nan 8.190 nan 0.000 0.447 141 K N 0.618 121.031 120.400 0.021 0.000 1.978 141 K HA -0.254 4.067 4.320 0.001 0.000 0.214 141 K C 2.341 178.882 176.600 -0.099 0.000 1.049 141 K CA 2.419 58.684 56.287 -0.037 0.000 0.939 141 K CB -0.596 31.869 32.500 -0.059 0.000 0.721 141 K HN 0.633 nan 8.250 nan 0.000 0.441 142 T N -1.752 112.707 114.554 -0.159 0.000 2.849 142 T HA -0.162 4.189 4.350 0.001 0.000 0.270 142 T C 1.170 175.576 174.700 -0.490 0.000 1.066 142 T CA 1.644 63.557 62.100 -0.312 0.000 1.130 142 T CB -0.503 68.140 68.868 -0.375 0.000 0.864 142 T HN 0.422 nan 8.240 nan 0.000 0.481 143 H N 0.884 119.765 119.070 -0.315 0.000 2.517 143 H HA 0.318 4.875 4.556 0.001 0.000 0.282 143 H C 1.280 176.568 175.328 -0.066 0.000 1.023 143 H CA 0.815 56.716 56.048 -0.246 0.000 1.169 143 H CB 0.401 29.917 29.762 -0.411 0.000 1.454 143 H HN 0.606 nan 8.280 nan 0.000 0.556 144 T N -2.748 111.810 114.554 0.006 0.000 3.339 144 T HA 0.194 4.545 4.350 0.001 0.000 0.292 144 T C 0.535 175.196 174.700 -0.065 0.000 1.012 144 T CA -0.712 61.407 62.100 0.031 0.000 0.937 144 T CB -0.067 68.843 68.868 0.071 0.000 1.164 144 T HN 0.007 nan 8.240 nan 0.000 0.509 145 K N 1.076 121.414 120.400 -0.105 0.000 3.016 145 K HA -0.167 4.154 4.320 0.001 0.000 0.262 145 K C 1.188 177.694 176.600 -0.157 0.000 1.043 145 K CA 1.055 57.258 56.287 -0.140 0.000 0.761 145 K CB -1.789 30.628 32.500 -0.138 0.000 1.230 145 K HN 1.287 nan 8.250 nan 0.000 0.485 146 G N -1.091 107.628 108.800 -0.135 0.000 2.153 146 G HA2 -0.354 3.607 3.960 0.001 0.000 0.252 146 G HA3 -0.354 3.607 3.960 0.001 0.000 0.252 146 G C 0.679 175.494 174.900 -0.141 0.000 0.994 146 G CA 0.525 45.552 45.100 -0.121 0.000 0.698 146 G HN 0.220 nan 8.290 nan 0.000 0.521 147 M N -0.587 118.904 119.600 -0.181 0.000 2.248 147 M HA 0.346 4.826 4.480 0.001 0.000 0.265 147 M C 1.414 177.676 176.300 -0.064 0.000 1.079 147 M CA 1.103 56.254 55.300 -0.248 0.000 1.150 147 M CB -0.276 32.010 32.600 -0.524 0.000 1.366 147 M HN 0.327 nan 8.290 nan 0.000 0.433 148 I N 0.593 121.166 120.570 0.005 0.000 2.420 148 I HA 0.130 4.301 4.170 0.001 0.000 0.282 148 I C 0.511 176.660 176.117 0.053 0.000 1.019 148 I CA -0.252 61.087 61.300 0.065 0.000 1.130 148 I CB 1.388 39.456 38.000 0.114 0.000 1.262 148 I HN 0.090 nan 8.210 nan 0.000 0.454 149 S N 3.367 119.103 115.700 0.059 0.000 2.559 149 S HA 0.240 4.711 4.470 0.001 0.000 0.226 149 S C 0.196 174.872 174.600 0.127 0.000 1.000 149 S CA -0.147 58.086 58.200 0.055 0.000 0.948 149 S CB 0.048 63.262 63.200 0.023 0.000 0.870 149 S HN 0.709 nan 8.310 nan 0.000 0.497 150 H N -0.354 118.724 119.070 0.014 0.000 3.008 150 H HA 0.698 5.255 4.556 0.002 0.000 0.354 150 H C -2.084 173.262 175.328 0.031 0.000 1.252 150 H CA -0.841 55.217 56.048 0.015 0.000 1.117 150 H CB 1.687 31.461 29.762 0.020 0.000 1.857 150 H HN 0.155 nan 8.280 nan 0.000 0.547 151 L N 3.380 124.183 121.223 -0.700 0.000 2.445 151 L HA 0.211 4.551 4.340 0.001 0.000 0.262 151 L C 0.593 177.092 176.870 -0.620 0.000 0.974 151 L CA -0.538 54.038 54.840 -0.440 0.000 0.822 151 L CB 2.697 44.624 42.059 -0.220 0.000 1.339 151 L HN 0.558 nan 8.230 nan 0.000 0.409 152 L N 1.396 122.456 121.223 -0.273 0.000 2.209 152 L HA 0.081 4.422 4.340 0.001 0.000 0.207 152 L C 2.225 179.040 176.870 -0.091 0.000 1.094 152 L CA 1.177 55.937 54.840 -0.133 0.000 0.790 152 L CB -0.219 41.827 42.059 -0.021 0.000 0.932 152 L HN 0.936 nan 8.230 nan 0.000 0.447 153 G N 0.085 108.833 108.800 -0.086 0.000 2.443 153 G HA2 -0.240 3.720 3.960 0.001 0.000 0.219 153 G HA3 -0.240 3.720 3.960 0.001 0.000 0.219 153 G C 1.635 176.495 174.900 -0.067 0.000 1.131 153 G CA 1.215 46.281 45.100 -0.058 0.000 0.775 153 G HN 0.436 nan 8.290 nan 0.000 0.547 154 T N -1.047 113.448 114.554 -0.098 0.000 2.946 154 T HA 0.016 4.367 4.350 0.001 0.000 0.271 154 T C 2.262 176.935 174.700 -0.045 0.000 1.104 154 T CA 1.131 63.181 62.100 -0.084 0.000 1.114 154 T CB -0.335 68.470 68.868 -0.104 0.000 0.867 154 T HN 0.212 nan 8.240 nan 0.000 0.513 155 G N 0.489 109.269 108.800 -0.033 0.000 2.708 155 G HA2 0.278 4.239 3.960 0.001 0.000 0.210 155 G HA3 0.278 4.239 3.960 0.001 0.000 0.210 155 G C 1.251 176.143 174.900 -0.013 0.000 1.141 155 G CA 0.313 45.412 45.100 -0.002 0.000 0.788 155 G HN 0.729 nan 8.290 nan 0.000 0.531 156 A N -0.463 122.337 122.820 -0.033 0.000 2.343 156 A HA 0.529 4.850 4.320 0.001 0.000 0.223 156 A C 0.669 178.214 177.584 -0.066 0.000 1.214 156 A CA -0.075 51.937 52.037 -0.042 0.000 0.900 156 A CB 0.590 19.562 19.000 -0.045 0.000 0.942 156 A HN 0.101 nan 8.150 nan 0.000 0.507 157 V N 2.269 122.143 119.914 -0.066 0.000 2.470 157 V HA 0.324 4.445 4.120 0.001 0.000 0.276 157 V C 0.162 176.230 176.094 -0.043 0.000 1.040 157 V CA 0.244 62.489 62.300 -0.093 0.000 1.008 157 V CB 0.132 31.934 31.823 -0.035 0.000 0.990 157 V HN 0.821 nan 8.190 nan 0.000 0.477 158 Q N 3.162 122.918 119.800 -0.073 0.000 3.177 158 Q HA 0.463 4.804 4.340 0.001 0.000 0.339 158 Q C 0.642 176.634 176.000 -0.013 0.000 0.912 158 Q CA -0.795 54.995 55.803 -0.022 0.000 0.818 158 Q CB 0.896 29.619 28.738 -0.025 0.000 1.448 158 Q HN 0.325 nan 8.270 nan 0.000 0.489 159 Q N -0.217 119.587 119.800 0.005 0.000 2.124 159 Q HA -0.032 4.309 4.340 0.001 0.000 0.202 159 Q C 1.401 177.395 176.000 -0.010 0.000 0.977 159 Q CA 1.132 56.948 55.803 0.022 0.000 0.850 159 Q CB -0.128 28.622 28.738 0.020 0.000 0.901 159 Q HN 0.398 nan 8.270 nan 0.000 0.429 160 L N 0.423 121.617 121.223 -0.049 0.000 2.478 160 L HA 0.030 4.370 4.340 0.001 0.000 0.223 160 L C 0.804 177.571 176.870 -0.172 0.000 1.140 160 L CA 0.898 55.691 54.840 -0.078 0.000 0.842 160 L CB -1.226 40.797 42.059 -0.059 0.000 0.953 160 L HN 0.097 nan 8.230 nan 0.000 0.452 161 T N 1.173 115.572 114.554 -0.259 0.000 2.916 161 T HA 0.131 4.482 4.350 0.001 0.000 0.303 161 T C 1.406 175.722 174.700 -0.640 0.000 1.025 161 T CA 0.119 61.893 62.100 -0.544 0.000 1.142 161 T CB 1.279 69.692 68.868 -0.758 0.000 0.947 161 T HN 0.202 nan 8.240 nan 0.000 0.544 162 R N 1.041 121.165 120.500 -0.628 0.000 2.555 162 R HA 0.282 4.623 4.340 0.001 0.000 0.312 162 R C -0.951 175.228 176.300 -0.202 0.000 0.938 162 R CA -0.268 55.671 56.100 -0.269 0.000 1.112 162 R CB 0.450 30.642 30.300 -0.180 0.000 1.535 162 R HN 0.408 nan 8.270 nan 0.000 0.525 163 L N 0.508 121.472 121.223 -0.431 0.000 2.565 163 L HA 0.497 4.838 4.340 0.001 0.000 0.261 163 L C -1.714 175.009 176.870 -0.245 0.000 0.932 163 L CA -0.750 53.934 54.840 -0.261 0.000 0.878 163 L CB 2.366 44.178 42.059 -0.412 0.000 1.333 163 L HN -0.246 nan 8.230 nan 0.000 0.409 164 V N 4.915 124.808 119.914 -0.035 0.000 2.841 164 V HA 0.609 4.730 4.120 0.001 0.000 0.310 164 V C -1.194 174.959 176.094 0.099 0.000 1.090 164 V CA -0.696 61.615 62.300 0.018 0.000 0.930 164 V CB 2.347 34.201 31.823 0.052 0.000 1.014 164 V HN 0.701 nan 8.190 nan 0.000 0.425 165 L N 5.170 126.437 121.223 0.073 0.000 2.365 165 L HA 0.876 5.216 4.340 0.001 0.000 0.273 165 L C -1.358 175.570 176.870 0.097 0.000 1.000 165 L CA -0.299 54.584 54.840 0.071 0.000 0.819 165 L CB 1.888 43.980 42.059 0.055 0.000 1.284 165 L HN 0.521 nan 8.230 nan 0.000 0.418 166 V N 5.138 125.111 119.914 0.098 0.000 2.971 166 V HA 0.566 4.686 4.120 0.001 0.000 0.309 166 V C -0.685 175.453 176.094 0.073 0.000 1.130 166 V CA -0.822 61.541 62.300 0.104 0.000 0.964 166 V CB 2.411 34.336 31.823 0.169 0.000 1.029 166 V HN 0.906 nan 8.190 nan 0.000 0.427 167 N N 2.000 120.744 118.700 0.073 0.000 2.425 167 N HA 0.736 5.477 4.740 0.001 0.000 0.289 167 N C -1.387 174.170 175.510 0.079 0.000 1.074 167 N CA -0.144 52.937 53.050 0.051 0.000 0.905 167 N CB 2.276 40.760 38.487 -0.004 0.000 1.586 167 N HN 0.936 nan 8.380 nan 0.000 0.490 168 A N 4.186 127.076 122.820 0.117 0.000 2.408 168 A HA 0.626 4.947 4.320 0.001 0.000 0.295 168 A C -1.582 176.121 177.584 0.198 0.000 1.040 168 A CA -0.572 51.556 52.037 0.152 0.000 0.707 168 A CB 1.104 20.203 19.000 0.166 0.000 1.235 168 A HN 0.480 nan 8.150 nan 0.000 0.418 169 L N 1.586 122.954 121.223 0.242 0.000 2.371 169 L HA 0.601 4.942 4.340 0.001 0.000 0.262 169 L C -1.142 175.955 176.870 0.379 0.000 1.006 169 L CA -0.610 54.443 54.840 0.354 0.000 0.818 169 L CB 1.928 44.277 42.059 0.482 0.000 1.354 169 L HN 0.878 nan 8.230 nan 0.000 0.415 170 Y N 2.071 122.510 120.300 0.231 0.000 2.421 170 Y HA 0.609 5.160 4.550 0.001 0.000 0.339 170 Y C -1.777 174.164 175.900 0.069 0.000 0.996 170 Y CA -0.970 57.191 58.100 0.102 0.000 1.046 170 Y CB 1.953 40.442 38.460 0.048 0.000 1.226 170 Y HN 0.394 nan 8.280 nan 0.000 0.445 171 F N 6.971 126.294 119.950 -1.046 0.000 2.539 171 F HA 0.509 5.038 4.527 0.002 0.000 0.318 171 F C -1.528 173.669 175.800 -1.004 0.000 1.135 171 F CA -0.731 56.689 58.000 -0.967 0.000 0.915 171 F CB 1.430 39.655 39.000 -1.293 0.000 1.176 171 F HN 0.664 nan 8.300 nan 0.000 0.440 172 N N 4.628 122.391 118.700 -1.561 0.000 2.558 172 N HA 0.340 5.080 4.740 0.001 0.000 0.285 172 N C 0.732 175.518 175.510 -1.205 0.000 1.112 172 N CA -0.032 52.313 53.050 -1.175 0.000 0.857 172 N CB 1.276 39.435 38.487 -0.547 0.000 1.376 172 N HN 0.909 nan 8.380 nan 0.000 0.526 173 G N 1.897 109.897 108.800 -1.333 0.000 4.023 173 G HA2 -0.337 3.624 3.960 0.001 0.000 0.346 173 G HA3 -0.337 3.624 3.960 0.001 0.000 0.346 173 G C 0.052 174.566 174.900 -0.643 0.000 0.853 173 G CA 1.165 45.623 45.100 -1.070 0.000 0.712 173 G HN 0.785 nan 8.290 nan 0.000 1.461 174 Q N -2.180 117.393 119.800 -0.378 0.000 2.232 174 Q HA -0.103 4.237 4.340 0.001 0.000 0.281 174 Q C -0.697 175.453 176.000 0.250 0.000 1.215 174 Q CA -0.157 55.640 55.803 -0.010 0.000 0.593 174 Q CB -1.476 27.330 28.738 0.115 0.000 0.961 174 Q HN 0.548 nan 8.270 nan 0.000 0.341 175 W N 2.113 123.629 121.300 0.359 0.000 2.209 175 W HA -0.020 4.640 4.660 0.001 0.000 0.344 175 W C 1.520 178.131 176.519 0.153 0.000 1.285 175 W CA 0.470 57.937 57.345 0.203 0.000 1.267 175 W CB 0.299 29.812 29.460 0.087 0.000 1.167 175 W HN 0.430 nan 8.180 nan 0.000 0.574 176 K N 0.299 120.911 120.400 0.354 0.000 2.152 176 K HA -0.122 4.199 4.320 0.001 0.000 0.206 176 K C 0.063 176.742 176.600 0.131 0.000 1.048 176 K CA 1.221 57.637 56.287 0.216 0.000 0.933 176 K CB -0.008 32.568 32.500 0.127 0.000 0.721 176 K HN 0.411 nan 8.250 nan 0.000 0.447 177 T N 2.739 117.347 114.554 0.091 0.000 3.008 177 T HA 0.294 4.645 4.350 0.001 0.000 0.328 177 T C -2.732 171.944 174.700 -0.041 0.000 1.020 177 T CA -1.407 60.677 62.100 -0.026 0.000 1.043 177 T CB 1.893 70.661 68.868 -0.168 0.000 1.010 177 T HN -0.047 nan 8.240 nan 0.000 0.466 178 P HA 0.166 nan 4.420 nan 0.000 0.266 178 P C -0.407 176.904 177.300 0.017 0.000 1.195 178 P CA -0.282 62.934 63.100 0.193 0.000 0.768 178 P CB 0.235 32.054 31.700 0.199 0.000 0.838 179 F N 4.393 124.373 119.950 0.049 0.000 2.543 179 F HA 0.102 4.630 4.527 0.002 0.000 0.375 179 F C -0.932 174.891 175.800 0.039 0.000 1.075 179 F CA -1.000 56.993 58.000 -0.012 0.000 1.225 179 F CB -0.650 38.318 39.000 -0.054 0.000 1.099 179 F HN 0.439 nan 8.300 nan 0.000 0.561 180 P HA -0.262 nan 4.420 nan 0.000 0.230 180 P C 0.362 177.736 177.300 0.123 0.000 0.895 180 P CA 2.240 65.406 63.100 0.110 0.000 1.085 180 P CB 0.223 31.977 31.700 0.089 0.000 0.664 181 D N -6.185 114.282 120.400 0.111 0.000 1.730 181 D HA -0.102 4.538 4.640 0.001 0.000 0.835 181 D C 1.269 177.616 176.300 0.079 0.000 0.331 181 D CA 0.717 54.773 54.000 0.094 0.000 1.259 181 D CB -1.307 39.538 40.800 0.075 0.000 1.581 181 D HN 0.120 nan 8.370 nan 0.000 0.348 182 S N -0.256 115.482 115.700 0.064 0.000 2.474 182 S HA 0.001 4.472 4.470 0.001 0.000 0.235 182 S C 1.707 176.340 174.600 0.056 0.000 0.997 182 S CA 1.337 59.567 58.200 0.050 0.000 0.949 182 S CB 0.115 63.336 63.200 0.034 0.000 0.766 182 S HN 0.208 nan 8.310 nan 0.000 0.517 183 S N 1.250 116.996 115.700 0.076 0.000 2.446 183 S HA 0.085 4.556 4.470 0.001 0.000 0.225 183 S C 0.776 175.492 174.600 0.195 0.000 1.016 183 S CA 0.268 58.520 58.200 0.086 0.000 0.943 183 S CB -0.356 62.903 63.200 0.098 0.000 0.786 183 S HN 0.596 nan 8.310 nan 0.000 0.508 184 T N 4.233 118.896 114.554 0.182 0.000 2.908 184 T HA 0.153 4.503 4.350 0.001 0.000 0.301 184 T C -0.012 174.831 174.700 0.240 0.000 1.019 184 T CA 0.326 62.536 62.100 0.184 0.000 1.152 184 T CB -0.029 68.887 68.868 0.081 0.000 0.966 184 T HN 0.545 nan 8.240 nan 0.000 0.540 185 H N 0.833 119.911 119.070 0.012 0.000 2.933 185 H HA 0.523 5.080 4.556 0.001 0.000 0.310 185 H C -0.857 174.480 175.328 0.014 0.000 1.351 185 H CA -1.309 54.748 56.048 0.015 0.000 1.137 185 H CB 0.761 30.533 29.762 0.016 0.000 1.853 185 H HN 0.246 nan 8.280 nan 0.000 0.539 186 R N 0.872 121.353 120.500 -0.032 0.000 2.459 186 R HA 0.547 4.887 4.340 0.001 0.000 0.281 186 R C -0.329 175.914 176.300 -0.095 0.000 1.050 186 R CA -0.552 55.502 56.100 -0.076 0.000 1.055 186 R CB 0.681 30.988 30.300 0.010 0.000 1.045 186 R HN 0.758 nan 8.270 nan 0.000 0.495 187 R N 1.278 121.724 120.500 -0.089 0.000 2.594 187 R HA 0.337 4.678 4.340 0.001 0.000 0.265 187 R C -1.113 175.205 176.300 0.029 0.000 1.070 187 R CA -0.488 55.592 56.100 -0.032 0.000 0.909 187 R CB 1.115 31.352 30.300 -0.106 0.000 1.243 187 R HN 0.490 nan 8.270 nan 0.000 0.455 188 L N 3.619 124.875 121.223 0.055 0.000 2.426 188 L HA 0.367 4.708 4.340 0.001 0.000 0.271 188 L C -0.224 176.715 176.870 0.115 0.000 1.169 188 L CA 0.128 55.029 54.840 0.102 0.000 0.836 188 L CB 0.376 42.506 42.059 0.119 0.000 1.112 188 L HN 0.505 nan 8.230 nan 0.000 0.465 189 F N 1.910 121.862 119.950 0.003 0.000 2.469 189 F HA 0.345 4.873 4.527 0.002 0.000 0.332 189 F C 0.099 175.969 175.800 0.116 0.000 1.103 189 F CA -0.530 57.465 58.000 -0.009 0.000 0.979 189 F CB 0.921 39.939 39.000 0.031 0.000 1.137 189 F HN 0.363 nan 8.300 nan 0.000 0.463 190 H N 5.363 124.278 119.070 -0.259 0.000 2.820 190 H HA 0.237 4.794 4.556 0.001 0.000 0.278 190 H C -0.401 174.840 175.328 -0.145 0.000 1.142 190 H CA -0.831 55.123 56.048 -0.156 0.000 1.346 190 H CB 0.718 30.378 29.762 -0.171 0.000 1.438 190 H HN 0.422 nan 8.280 nan 0.000 0.473 191 K N 1.197 121.692 120.400 0.159 0.000 2.202 191 K HA 0.039 4.360 4.320 0.001 0.000 0.264 191 K C 0.757 177.406 176.600 0.081 0.000 1.010 191 K CA -0.414 55.968 56.287 0.159 0.000 0.940 191 K CB 0.733 33.337 32.500 0.173 0.000 0.983 191 K HN 0.546 nan 8.250 nan 0.000 0.475 192 S N 1.334 117.079 115.700 0.076 0.000 3.361 192 S HA -0.023 4.448 4.470 0.001 0.000 0.246 192 S C -0.134 174.487 174.600 0.035 0.000 1.237 192 S CA 0.281 58.511 58.200 0.049 0.000 1.240 192 S CB -0.703 62.530 63.200 0.055 0.000 1.154 192 S HN 0.726 nan 8.310 nan 0.000 0.461 193 D N -2.278 118.138 120.400 0.026 0.000 2.672 193 D HA 0.142 4.783 4.640 0.001 0.000 0.321 193 D C 1.070 177.369 176.300 -0.001 0.000 1.496 193 D CA 0.200 54.209 54.000 0.015 0.000 0.901 193 D CB -0.676 40.138 40.800 0.024 0.000 1.441 193 D HN 0.611 nan 8.370 nan 0.000 0.423 194 G N 0.943 109.733 108.800 -0.017 0.000 2.225 194 G HA2 -0.288 3.673 3.960 0.001 0.000 0.254 194 G HA3 -0.288 3.673 3.960 0.001 0.000 0.254 194 G C 0.442 175.318 174.900 -0.040 0.000 0.988 194 G CA 0.537 45.604 45.100 -0.055 0.000 0.625 194 G HN 1.133 nan 8.290 nan 0.000 0.527 195 S N 0.510 116.215 115.700 0.008 0.000 2.580 195 S HA 0.690 5.161 4.470 0.001 0.000 0.274 195 S C 0.224 174.872 174.600 0.079 0.000 1.329 195 S CA 0.878 59.099 58.200 0.035 0.000 1.036 195 S CB 1.753 64.981 63.200 0.045 0.000 0.919 195 S HN 1.575 nan 8.310 nan 0.000 0.515 196 T N -0.913 113.699 114.554 0.096 0.000 2.924 196 T HA 0.752 5.103 4.350 0.001 0.000 0.291 196 T C -0.581 174.202 174.700 0.139 0.000 1.045 196 T CA -0.805 61.392 62.100 0.162 0.000 1.015 196 T CB 1.363 70.344 68.868 0.187 0.000 1.103 196 T HN 1.249 nan 8.240 nan 0.000 0.496 197 V N 0.423 120.437 119.914 0.167 0.000 2.841 197 V HA 0.716 4.837 4.120 0.001 0.000 0.310 197 V C -0.425 175.734 176.094 0.109 0.000 1.090 197 V CA -0.648 61.722 62.300 0.117 0.000 0.930 197 V CB 2.273 34.156 31.823 0.100 0.000 1.014 197 V HN 1.155 nan 8.190 nan 0.000 0.425 198 S N 4.848 120.589 115.700 0.068 0.000 2.494 198 S HA 0.481 4.952 4.470 0.001 0.000 0.312 198 S C -0.583 174.030 174.600 0.022 0.000 1.121 198 S CA -0.097 58.133 58.200 0.049 0.000 1.068 198 S CB 0.202 63.425 63.200 0.039 0.000 1.141 198 S HN 0.900 nan 8.310 nan 0.000 0.527 199 V N 7.295 127.215 119.914 0.010 0.000 2.667 199 V HA 0.615 4.736 4.120 0.001 0.000 0.308 199 V C -2.408 173.648 176.094 -0.064 0.000 1.048 199 V CA -2.381 59.896 62.300 -0.039 0.000 0.928 199 V CB 2.190 33.953 31.823 -0.101 0.000 1.004 199 V HN 0.617 nan 8.190 nan 0.000 0.444 200 P HA 0.401 nan 4.420 nan 0.000 0.281 200 P C -0.950 176.276 177.300 -0.124 0.000 1.252 200 P CA 0.079 63.123 63.100 -0.093 0.000 0.778 200 P CB 0.506 32.174 31.700 -0.054 0.000 0.895 201 M N 2.831 122.306 119.600 -0.209 0.000 2.457 201 M HA 0.471 4.952 4.480 0.001 0.000 0.300 201 M C -0.271 175.924 176.300 -0.175 0.000 1.141 201 M CA -0.673 54.501 55.300 -0.209 0.000 0.901 201 M CB 2.175 34.629 32.600 -0.242 0.000 1.687 201 M HN 0.161 nan 8.290 nan 0.000 0.449 202 M N 1.775 121.271 119.600 -0.174 0.000 2.314 202 M HA 0.758 5.239 4.480 0.001 0.000 0.342 202 M C -0.282 176.021 176.300 0.005 0.000 1.171 202 M CA -0.540 54.682 55.300 -0.129 0.000 1.098 202 M CB 1.396 33.715 32.600 -0.469 0.000 1.559 202 M HN 0.747 nan 8.290 nan 0.000 0.459 203 A N 2.441 125.389 122.820 0.213 0.000 2.414 203 A HA 0.771 5.092 4.320 0.001 0.000 0.306 203 A C -1.202 176.566 177.584 0.306 0.000 1.054 203 A CA -0.534 51.656 52.037 0.255 0.000 0.724 203 A CB 2.046 21.180 19.000 0.223 0.000 1.267 203 A HN 0.818 nan 8.150 nan 0.000 0.418 204 Q N 0.795 120.754 119.800 0.266 0.000 2.430 204 Q HA 0.447 4.788 4.340 0.001 0.000 0.253 204 Q C -1.283 174.833 176.000 0.193 0.000 0.945 204 Q CA -0.372 55.534 55.803 0.173 0.000 0.964 204 Q CB 1.652 30.410 28.738 0.033 0.000 1.460 204 Q HN 0.954 nan 8.270 nan 0.000 0.428 205 T N 1.704 116.303 114.554 0.076 0.000 2.799 205 T HA 0.763 5.114 4.350 0.001 0.000 0.286 205 T C -0.145 174.501 174.700 -0.091 0.000 0.973 205 T CA -0.256 61.876 62.100 0.053 0.000 1.035 205 T CB 1.000 69.875 68.868 0.013 0.000 0.932 205 T HN 0.776 nan 8.240 nan 0.000 0.469 206 N N 1.329 119.911 118.700 -0.198 0.000 3.439 206 N HA 0.122 4.863 4.740 0.001 0.000 0.285 206 N C -2.004 173.215 175.510 -0.485 0.000 1.386 206 N CA -0.944 51.868 53.050 -0.397 0.000 0.824 206 N CB 0.754 38.932 38.487 -0.514 0.000 1.632 206 N HN 0.464 nan 8.380 nan 0.000 0.421 207 K N 0.312 120.444 120.400 -0.448 0.000 2.206 207 K HA 0.400 4.721 4.320 0.001 0.000 0.268 207 K C -0.946 175.447 176.600 -0.346 0.000 1.111 207 K CA -0.121 55.990 56.287 -0.292 0.000 0.955 207 K CB -0.370 32.036 32.500 -0.158 0.000 1.406 207 K HN 0.250 nan 8.250 nan 0.000 0.427 208 F N 0.894 120.817 119.950 -0.045 0.000 2.371 208 F HA 0.217 4.745 4.527 0.001 0.000 0.329 208 F C 1.029 176.840 175.800 0.018 0.000 1.107 208 F CA -0.838 57.140 58.000 -0.036 0.000 1.137 208 F CB 0.581 39.559 39.000 -0.038 0.000 1.214 208 F HN 0.310 nan 8.300 nan 0.000 0.536 209 N N 1.998 120.834 118.700 0.225 0.000 2.437 209 N HA 0.120 4.861 4.740 0.001 0.000 0.243 209 N C -1.360 174.277 175.510 0.212 0.000 1.041 209 N CA -0.117 53.031 53.050 0.163 0.000 0.940 209 N CB -0.089 38.451 38.487 0.089 0.000 1.133 209 N HN 0.529 nan 8.380 nan 0.000 0.506 210 Y N 1.656 122.009 120.300 0.088 0.000 2.598 210 Y HA 0.695 5.246 4.550 0.001 0.000 0.340 210 Y C -0.454 175.491 175.900 0.075 0.000 1.038 210 Y CA -0.552 57.587 58.100 0.066 0.000 1.100 210 Y CB 1.971 40.464 38.460 0.055 0.000 1.281 210 Y HN 0.304 nan 8.280 nan 0.000 0.488 211 T N 3.286 117.070 114.554 -1.284 0.000 3.225 211 T HA 0.168 4.519 4.350 0.001 0.000 0.356 211 T C -1.982 172.068 174.700 -1.083 0.000 1.460 211 T CA -0.748 60.814 62.100 -0.896 0.000 1.126 211 T CB 0.945 69.662 68.868 -0.252 0.000 1.321 211 T HN 0.832 nan 8.240 nan 0.000 0.478 212 E N 3.160 123.040 120.200 -0.534 0.000 2.266 212 E HA 0.597 4.948 4.350 0.001 0.000 0.277 212 E C -1.382 175.247 176.600 0.048 0.000 1.018 212 E CA -0.639 55.666 56.400 -0.159 0.000 0.840 212 E CB 0.761 30.470 29.700 0.016 0.000 1.082 212 E HN 0.446 nan 8.360 nan 0.000 0.395 213 F N 2.293 122.209 119.950 -0.055 0.000 2.540 213 F HA 0.426 4.954 4.527 0.001 0.000 0.317 213 F C -1.168 174.656 175.800 0.041 0.000 1.104 213 F CA -0.391 57.629 58.000 0.033 0.000 0.913 213 F CB 2.123 41.138 39.000 0.024 0.000 1.170 213 F HN 0.267 nan 8.300 nan 0.000 0.450 214 T N 3.461 117.449 114.554 -0.944 0.000 2.829 214 T HA 0.469 4.820 4.350 0.001 0.000 0.280 214 T C -0.333 173.620 174.700 -1.245 0.000 0.999 214 T CA -0.675 60.816 62.100 -1.015 0.000 0.983 214 T CB 1.366 69.737 68.868 -0.829 0.000 0.968 214 T HN 0.713 nan 8.240 nan 0.000 0.446 215 T N 0.911 115.034 114.554 -0.719 0.000 2.899 215 T HA 0.330 4.681 4.350 0.001 0.000 0.284 215 T C -1.868 172.697 174.700 -0.224 0.000 1.004 215 T CA -1.931 59.966 62.100 -0.338 0.000 1.043 215 T CB 0.787 69.705 68.868 0.082 0.000 1.013 215 T HN 0.117 nan 8.240 nan 0.000 0.518 216 P HA -0.093 nan 4.420 nan 0.000 0.218 216 P C 1.033 178.301 177.300 -0.055 0.000 1.146 216 P CA 0.915 63.974 63.100 -0.068 0.000 0.813 216 P CB 0.041 31.731 31.700 -0.016 0.000 0.778 217 D N -1.831 118.565 120.400 -0.006 0.000 2.312 217 D HA -0.001 4.640 4.640 0.001 0.000 0.211 217 D C 1.484 177.705 176.300 -0.132 0.000 0.964 217 D CA 1.467 55.484 54.000 0.029 0.000 0.877 217 D CB -0.194 40.754 40.800 0.246 0.000 0.924 217 D HN 0.180 nan 8.370 nan 0.000 0.515 218 G N 0.906 109.565 108.800 -0.235 0.000 2.131 218 G HA2 -0.203 3.758 3.960 0.001 0.000 0.201 218 G HA3 -0.203 3.758 3.960 0.001 0.000 0.201 218 G C -0.310 174.214 174.900 -0.627 0.000 1.000 218 G CA -0.404 44.450 45.100 -0.411 0.000 0.680 218 G HN 0.384 nan 8.290 nan 0.000 0.514 219 H N -0.619 118.231 119.070 -0.366 0.000 2.489 219 H HA 0.593 5.150 4.556 0.001 0.000 0.322 219 H C -0.371 174.565 175.328 -0.653 0.000 1.091 219 H CA -0.219 55.612 56.048 -0.362 0.000 1.291 219 H CB 0.625 30.291 29.762 -0.158 0.000 1.436 219 H HN 0.296 nan 8.280 nan 0.000 0.480 220 Y N 2.621 122.731 120.300 -0.317 0.000 2.326 220 Y HA 0.316 4.867 4.550 0.001 0.000 0.337 220 Y C -0.650 174.981 175.900 -0.448 0.000 1.023 220 Y CA -0.466 57.445 58.100 -0.315 0.000 1.143 220 Y CB 0.553 38.865 38.460 -0.248 0.000 1.183 220 Y HN 0.566 nan 8.280 nan 0.000 0.485 221 Y N 0.759 121.140 120.300 0.135 0.000 2.512 221 Y HA 0.340 4.890 4.550 0.001 0.000 0.348 221 Y C -0.580 175.360 175.900 0.066 0.000 0.990 221 Y CA -1.532 56.653 58.100 0.142 0.000 1.033 221 Y CB 1.461 40.016 38.460 0.157 0.000 1.259 221 Y HN 0.476 nan 8.280 nan 0.000 0.461 222 D N 2.995 123.556 120.400 0.270 0.000 2.280 222 D HA 0.331 4.971 4.640 0.001 0.000 0.243 222 D C -0.633 175.738 176.300 0.118 0.000 1.129 222 D CA 0.058 54.231 54.000 0.289 0.000 0.848 222 D CB 0.995 42.005 40.800 0.351 0.000 1.107 222 D HN 0.242 nan 8.370 nan 0.000 0.471 223 I N 3.636 124.144 120.570 -0.103 0.000 2.355 223 I HA 0.337 4.508 4.170 0.001 0.000 0.288 223 I C -0.120 175.941 176.117 -0.094 0.000 0.999 223 I CA -0.517 60.620 61.300 -0.271 0.000 1.163 223 I CB 0.952 38.550 38.000 -0.671 0.000 1.316 223 I HN 0.160 nan 8.210 nan 0.000 0.454 224 L N 5.582 126.811 121.223 0.009 0.000 2.349 224 L HA 0.430 4.771 4.340 0.001 0.000 0.278 224 L C 0.222 177.088 176.870 -0.006 0.000 0.996 224 L CA -0.461 54.409 54.840 0.051 0.000 0.825 224 L CB 2.389 44.441 42.059 -0.012 0.000 1.243 224 L HN 0.595 nan 8.230 nan 0.000 0.412 225 E N 3.698 123.853 120.200 -0.074 0.000 2.227 225 E HA 0.444 4.795 4.350 0.001 0.000 0.282 225 E C -1.541 174.946 176.600 -0.188 0.000 1.015 225 E CA -0.725 55.431 56.400 -0.407 0.000 0.823 225 E CB 1.235 30.573 29.700 -0.604 0.000 1.081 225 E HN 0.354 nan 8.360 nan 0.000 0.396 226 L N 7.603 128.714 121.223 -0.188 0.000 2.345 226 L HA 0.381 4.722 4.340 0.001 0.000 0.274 226 L C -2.264 174.572 176.870 -0.057 0.000 0.999 226 L CA -1.932 52.868 54.840 -0.066 0.000 0.849 226 L CB 1.555 43.556 42.059 -0.096 0.000 1.220 226 L HN 0.496 nan 8.230 nan 0.000 0.422 227 P HA 0.183 nan 4.420 nan 0.000 0.277 227 P C -1.175 176.152 177.300 0.045 0.000 1.240 227 P CA -0.270 62.824 63.100 -0.010 0.000 0.798 227 P CB 0.891 32.593 31.700 0.004 0.000 0.979 228 Y N -0.184 120.237 120.300 0.201 0.000 2.453 228 Y HA 0.231 4.781 4.550 0.001 0.000 0.326 228 Y C 1.359 177.292 175.900 0.055 0.000 1.186 228 Y CA -0.175 58.008 58.100 0.137 0.000 1.200 228 Y CB 0.003 38.476 38.460 0.023 0.000 1.247 228 Y HN 0.517 nan 8.280 nan 0.000 0.482 229 H N -0.256 119.001 119.070 0.312 0.000 3.209 229 H HA 0.203 4.760 4.556 0.001 0.000 0.297 229 H C 1.102 176.525 175.328 0.158 0.000 0.936 229 H CA 0.321 56.488 56.048 0.198 0.000 1.392 229 H CB -0.314 29.554 29.762 0.176 0.000 1.349 229 H HN 0.854 nan 8.280 nan 0.000 0.568 230 G N 2.865 111.801 108.800 0.227 0.000 2.184 230 G HA2 -0.370 3.591 3.960 0.001 0.000 0.264 230 G HA3 -0.370 3.591 3.960 0.001 0.000 0.264 230 G C 0.414 175.319 174.900 0.007 0.000 0.975 230 G CA 0.305 45.483 45.100 0.130 0.000 0.642 230 G HN 0.977 nan 8.290 nan 0.000 0.536 231 D N -1.672 118.733 120.400 0.008 0.000 3.012 231 D HA -0.173 4.468 4.640 0.001 0.000 0.222 231 D C 1.392 177.628 176.300 -0.107 0.000 1.167 231 D CA 1.841 55.828 54.000 -0.022 0.000 0.854 231 D CB -1.780 39.008 40.800 -0.019 0.000 1.107 231 D HN 0.615 nan 8.370 nan 0.000 0.421 232 T N -0.812 113.618 114.554 -0.207 0.000 2.896 232 T HA 0.071 4.422 4.350 0.001 0.000 0.263 232 T C 1.258 175.786 174.700 -0.286 0.000 1.050 232 T CA 0.581 62.418 62.100 -0.438 0.000 1.140 232 T CB 0.541 68.846 68.868 -0.939 0.000 0.877 232 T HN 0.227 nan 8.240 nan 0.000 0.457 233 L N 0.273 121.468 121.223 -0.047 0.000 2.333 233 L HA 0.624 4.965 4.340 0.001 0.000 0.263 233 L C -0.810 176.290 176.870 0.383 0.000 1.014 233 L CA -0.749 54.211 54.840 0.200 0.000 0.820 233 L CB 2.352 44.580 42.059 0.281 0.000 1.352 233 L HN -0.066 nan 8.230 nan 0.000 0.421 234 S N 2.060 118.005 115.700 0.408 0.000 2.572 234 S HA 0.484 4.955 4.470 0.001 0.000 0.274 234 S C -0.865 173.950 174.600 0.358 0.000 1.150 234 S CA -0.553 57.792 58.200 0.242 0.000 0.944 234 S CB 2.211 65.415 63.200 0.006 0.000 1.071 234 S HN 0.627 nan 8.310 nan 0.000 0.479 235 M N 4.062 123.834 119.600 0.287 0.000 2.088 235 M HA 0.554 5.035 4.480 0.001 0.000 0.346 235 M C -1.883 174.591 176.300 0.291 0.000 1.111 235 M CA -0.435 55.155 55.300 0.483 0.000 1.017 235 M CB 0.115 33.092 32.600 0.628 0.000 1.568 235 M HN 0.551 nan 8.290 nan 0.000 0.445 236 F N 5.492 125.657 119.950 0.359 0.000 2.394 236 F HA 0.497 5.025 4.527 0.001 0.000 0.340 236 F C -0.080 175.879 175.800 0.266 0.000 1.105 236 F CA -0.328 57.836 58.000 0.273 0.000 1.124 236 F CB 1.000 40.198 39.000 0.329 0.000 1.145 236 F HN 0.421 nan 8.300 nan 0.000 0.505 237 I N 3.079 123.818 120.570 0.282 0.000 2.389 237 I HA 0.487 4.658 4.170 0.001 0.000 0.288 237 I C -0.458 175.700 176.117 0.069 0.000 0.999 237 I CA -0.785 60.643 61.300 0.213 0.000 1.129 237 I CB 1.583 39.617 38.000 0.057 0.000 1.288 237 I HN 0.641 nan 8.210 nan 0.000 0.444 238 A N 5.820 128.698 122.820 0.097 0.000 2.394 238 A HA 0.790 5.111 4.320 0.001 0.000 0.333 238 A C -0.118 177.575 177.584 0.182 0.000 1.397 238 A CA -0.455 51.569 52.037 -0.022 0.000 0.884 238 A CB 0.499 19.375 19.000 -0.205 0.000 1.147 238 A HN 0.750 nan 8.150 nan 0.000 0.505 239 A N 4.446 127.395 122.820 0.216 0.000 2.256 239 A HA 0.738 5.059 4.320 0.001 0.000 0.317 239 A C -2.751 175.056 177.584 0.370 0.000 1.318 239 A CA -1.751 50.454 52.037 0.279 0.000 0.894 239 A CB 0.181 19.254 19.000 0.121 0.000 1.165 239 A HN 0.512 nan 8.150 nan 0.000 0.525 240 P HA -0.108 nan 4.420 nan 0.000 0.263 240 P C 0.368 177.813 177.300 0.242 0.000 1.175 240 P CA 0.369 63.668 63.100 0.333 0.000 0.761 240 P CB 0.308 32.178 31.700 0.284 0.000 0.794 241 Y N 3.756 124.058 120.300 0.004 0.000 2.006 241 Y HA -0.253 4.298 4.550 0.001 0.000 0.266 241 Y C 1.877 177.786 175.900 0.015 0.000 1.133 241 Y CA 1.907 60.022 58.100 0.024 0.000 1.098 241 Y CB -0.467 38.010 38.460 0.027 0.000 0.969 241 Y HN 0.383 nan 8.280 nan 0.000 0.482 242 E N -0.362 119.838 120.200 -0.000 0.000 2.332 242 E HA -0.019 4.332 4.350 0.001 0.000 0.257 242 E C 1.736 178.323 176.600 -0.021 0.000 0.786 242 E CA 1.229 57.572 56.400 -0.095 0.000 1.380 242 E CB -0.269 29.389 29.700 -0.069 0.000 1.300 242 E HN 0.339 nan 8.360 nan 0.000 0.536 243 K N -0.738 119.667 120.400 0.007 0.000 2.706 243 K HA 0.090 4.411 4.320 0.001 0.000 0.179 243 K C 0.944 177.565 176.600 0.036 0.000 1.768 243 K CA 0.094 56.394 56.287 0.022 0.000 1.281 243 K CB 0.446 32.946 32.500 0.000 0.000 1.819 243 K HN -0.069 nan 8.250 nan 0.000 0.602 244 E N 1.483 121.705 120.200 0.037 0.000 2.445 244 E HA 0.078 4.429 4.350 0.001 0.000 0.189 244 E C -0.714 175.936 176.600 0.084 0.000 1.069 244 E CA -0.015 56.415 56.400 0.050 0.000 0.871 244 E CB 1.000 30.724 29.700 0.040 0.000 0.991 244 E HN 0.008 nan 8.360 nan 0.000 0.481 245 V N 4.220 124.192 119.914 0.096 0.000 2.368 245 V HA 0.161 4.282 4.120 0.001 0.000 0.266 245 V C -1.675 174.498 176.094 0.133 0.000 1.045 245 V CA -1.591 60.785 62.300 0.127 0.000 0.899 245 V CB 0.346 32.215 31.823 0.076 0.000 1.006 245 V HN 0.067 nan 8.190 nan 0.000 0.470 246 P HA 0.200 nan 4.420 nan 0.000 0.274 246 P C 0.497 177.917 177.300 0.201 0.000 1.246 246 P CA -0.414 62.749 63.100 0.106 0.000 0.795 246 P CB 1.514 33.233 31.700 0.032 0.000 1.006 247 L N 1.452 122.774 121.223 0.164 0.000 2.131 247 L HA -0.093 4.248 4.340 0.001 0.000 0.206 247 L C 2.623 179.539 176.870 0.077 0.000 1.087 247 L CA 2.177 57.107 54.840 0.149 0.000 0.767 247 L CB -2.163 39.966 42.059 0.117 0.000 0.917 247 L HN 0.496 nan 8.230 nan 0.000 0.441 248 S N 0.113 115.845 115.700 0.053 0.000 2.462 248 S HA -0.170 4.300 4.470 0.001 0.000 0.243 248 S C 2.043 176.645 174.600 0.003 0.000 1.003 248 S CA 0.985 59.196 58.200 0.018 0.000 0.970 248 S CB -0.412 62.783 63.200 -0.008 0.000 0.762 248 S HN 0.340 nan 8.310 nan 0.000 0.510 249 A N 1.091 123.908 122.820 -0.006 0.000 1.968 249 A HA 0.293 4.614 4.320 0.001 0.000 0.217 249 A C 2.179 179.808 177.584 0.076 0.000 1.169 249 A CA 1.021 53.029 52.037 -0.048 0.000 0.638 249 A CB -0.477 18.315 19.000 -0.347 0.000 0.812 249 A HN 0.564 nan 8.150 nan 0.000 0.446 250 L N -1.148 120.100 121.223 0.043 0.000 2.189 250 L HA -0.033 4.307 4.340 0.001 0.000 0.199 250 L C 2.798 179.685 176.870 0.028 0.000 1.074 250 L CA 1.748 56.591 54.840 0.004 0.000 0.783 250 L CB -0.446 41.390 42.059 -0.371 0.000 0.955 250 L HN 0.480 nan 8.230 nan 0.000 0.460 251 T N -1.247 113.319 114.554 0.020 0.000 2.822 251 T HA -0.228 4.123 4.350 0.001 0.000 0.270 251 T C 1.277 176.015 174.700 0.063 0.000 1.064 251 T CA 1.891 64.034 62.100 0.072 0.000 1.131 251 T CB -0.615 68.369 68.868 0.193 0.000 0.858 251 T HN 0.465 nan 8.240 nan 0.000 0.483 252 N N 0.434 119.156 118.700 0.038 0.000 2.383 252 N HA 0.196 4.937 4.740 0.001 0.000 0.192 252 N C 1.186 176.707 175.510 0.019 0.000 1.141 252 N CA 0.768 53.829 53.050 0.018 0.000 0.851 252 N CB 0.103 38.592 38.487 0.003 0.000 0.976 252 N HN 0.725 nan 8.380 nan 0.000 0.465 253 I N -3.231 117.356 120.570 0.027 0.000 4.310 253 I HA 0.270 4.441 4.170 0.001 0.000 0.328 253 I C -0.256 175.851 176.117 -0.017 0.000 1.406 253 I CA -0.459 60.854 61.300 0.022 0.000 1.174 253 I CB 0.251 38.288 38.000 0.061 0.000 1.279 253 I HN -0.186 nan 8.210 nan 0.000 0.471 254 L N 2.922 124.124 121.223 -0.036 0.000 2.426 254 L HA 0.572 4.913 4.340 0.001 0.000 0.271 254 L C 0.303 177.094 176.870 -0.132 0.000 1.169 254 L CA 0.775 55.547 54.840 -0.114 0.000 0.836 254 L CB 0.832 42.833 42.059 -0.097 0.000 1.112 254 L HN 0.619 nan 8.230 nan 0.000 0.465 255 S N 2.523 118.094 115.700 -0.216 0.000 2.661 255 S HA 0.676 5.146 4.470 0.001 0.000 0.268 255 S C 0.351 174.789 174.600 -0.270 0.000 1.162 255 S CA -0.335 57.755 58.200 -0.183 0.000 0.817 255 S CB 0.743 63.875 63.200 -0.114 0.000 1.141 255 S HN 0.766 nan 8.310 nan 0.000 0.477 256 A N 0.083 122.778 122.820 -0.208 0.000 2.014 256 A HA 0.021 4.342 4.320 0.001 0.000 0.218 256 A C 1.994 179.472 177.584 -0.177 0.000 1.163 256 A CA 1.893 53.780 52.037 -0.251 0.000 0.652 256 A CB -0.992 17.809 19.000 -0.331 0.000 0.808 256 A HN 0.769 nan 8.150 nan 0.000 0.449 257 Q N -0.967 118.765 119.800 -0.114 0.000 2.369 257 Q HA 0.004 4.344 4.340 0.001 0.000 0.206 257 Q C 1.634 177.513 176.000 -0.201 0.000 0.963 257 Q CA 0.952 56.703 55.803 -0.087 0.000 0.894 257 Q CB -0.217 28.504 28.738 -0.028 0.000 0.965 257 Q HN 0.520 nan 8.270 nan 0.000 0.475 258 L N -0.705 120.283 121.223 -0.391 0.000 2.202 258 L HA 0.031 4.372 4.340 0.001 0.000 0.205 258 L C 1.505 177.654 176.870 -1.202 0.000 1.083 258 L CA 1.189 55.619 54.840 -0.683 0.000 0.790 258 L CB -0.374 41.270 42.059 -0.691 0.000 0.942 258 L HN 0.184 nan 8.230 nan 0.000 0.452 259 I N -0.804 119.121 120.570 -1.075 0.000 2.202 259 I HA -0.197 3.974 4.170 0.001 0.000 0.242 259 I C 2.544 178.291 176.117 -0.617 0.000 1.091 259 I CA 1.165 61.772 61.300 -1.155 0.000 1.368 259 I CB -1.715 35.800 38.000 -0.810 0.000 1.058 259 I HN 0.192 nan 8.210 nan 0.000 0.410 260 S N -0.322 115.163 115.700 -0.358 0.000 2.374 260 S HA -0.283 4.188 4.470 0.001 0.000 0.227 260 S C 2.056 176.600 174.600 -0.093 0.000 1.037 260 S CA 1.735 59.849 58.200 -0.144 0.000 1.024 260 S CB -0.521 62.637 63.200 -0.071 0.000 0.861 260 S HN 0.534 nan 8.310 nan 0.000 0.456 261 H N -0.346 118.580 119.070 -0.240 0.000 2.319 261 H HA -0.143 4.413 4.556 0.001 0.000 0.299 261 H C 1.852 177.192 175.328 0.020 0.000 1.092 261 H CA 2.336 58.308 56.048 -0.126 0.000 1.302 261 H CB -0.073 29.576 29.762 -0.189 0.000 1.373 261 H HN 0.419 nan 8.280 nan 0.000 0.497 262 W N 1.216 122.513 121.300 -0.004 0.000 2.338 262 W HA -0.120 4.541 4.660 0.001 0.000 0.304 262 W C 2.279 178.819 176.519 0.036 0.000 1.212 262 W CA 1.083 58.413 57.345 -0.025 0.000 1.264 262 W CB -0.844 28.549 29.460 -0.111 0.000 1.142 262 W HN 0.279 nan 8.180 nan 0.000 0.512 263 K N -0.506 120.055 120.400 0.268 0.000 2.063 263 K HA -0.113 4.208 4.320 0.001 0.000 0.208 263 K C 2.373 179.044 176.600 0.120 0.000 1.048 263 K CA 1.597 58.016 56.287 0.221 0.000 0.928 263 K CB -0.907 31.702 32.500 0.181 0.000 0.713 263 K HN 0.169 nan 8.250 nan 0.000 0.442 264 G N 0.959 109.789 108.800 0.050 0.000 2.422 264 G HA2 -0.230 3.731 3.960 0.001 0.000 0.218 264 G HA3 -0.230 3.731 3.960 0.001 0.000 0.218 264 G C 1.021 175.930 174.900 0.015 0.000 1.140 264 G CA 0.804 45.903 45.100 -0.001 0.000 0.775 264 G HN 0.344 nan 8.290 nan 0.000 0.545 265 N N -0.728 118.001 118.700 0.048 0.000 2.353 265 N HA 0.244 4.985 4.740 0.001 0.000 0.185 265 N C 0.730 176.284 175.510 0.073 0.000 1.098 265 N CA -0.390 52.701 53.050 0.068 0.000 0.872 265 N CB 0.238 38.798 38.487 0.121 0.000 0.970 265 N HN 0.250 nan 8.380 nan 0.000 0.467 266 M N 0.936 120.591 119.600 0.091 0.000 2.243 266 M HA 0.086 4.567 4.480 0.001 0.000 0.341 266 M C -0.624 175.726 176.300 0.083 0.000 1.130 266 M CA 0.777 56.127 55.300 0.084 0.000 1.162 266 M CB 0.679 33.360 32.600 0.134 0.000 1.497 266 M HN -0.081 nan 8.290 nan 0.000 0.456 267 T N 3.427 118.041 114.554 0.100 0.000 2.894 267 T HA 0.442 4.792 4.350 0.001 0.000 0.309 267 T C -1.102 173.678 174.700 0.133 0.000 1.208 267 T CA -0.864 61.299 62.100 0.105 0.000 1.016 267 T CB 1.436 70.368 68.868 0.106 0.000 1.192 267 T HN 0.585 nan 8.240 nan 0.000 0.491 268 R N 1.849 122.406 120.500 0.095 0.000 2.216 268 R HA 0.567 4.908 4.340 0.001 0.000 0.332 268 R C -0.664 175.683 176.300 0.079 0.000 1.056 268 R CA -0.303 55.848 56.100 0.084 0.000 0.901 268 R CB 0.250 30.569 30.300 0.031 0.000 1.039 268 R HN 0.407 nan 8.270 nan 0.000 0.456 269 L N 5.058 126.345 121.223 0.107 0.000 2.346 269 L HA 0.526 4.867 4.340 0.001 0.000 0.276 269 L C -2.137 174.770 176.870 0.061 0.000 1.006 269 L CA -2.501 52.383 54.840 0.074 0.000 0.817 269 L CB 2.210 44.311 42.059 0.069 0.000 1.272 269 L HN 0.384 nan 8.230 nan 0.000 0.421 270 P HA 0.261 nan 4.420 nan 0.000 0.277 270 P C -1.005 176.321 177.300 0.042 0.000 1.354 270 P CA -0.296 62.807 63.100 0.006 0.000 0.891 270 P CB 0.783 32.474 31.700 -0.016 0.000 1.058 271 R N 2.457 123.033 120.500 0.127 0.000 2.912 271 R HA 0.567 4.908 4.340 0.001 0.000 0.262 271 R C -0.567 175.850 176.300 0.195 0.000 1.057 271 R CA -1.325 54.854 56.100 0.131 0.000 0.981 271 R CB 1.249 31.612 30.300 0.104 0.000 1.201 271 R HN 0.344 nan 8.270 nan 0.000 0.484 272 L N 2.014 123.303 121.223 0.109 0.000 2.277 272 L HA 0.381 4.722 4.340 0.001 0.000 0.284 272 L C -1.134 175.777 176.870 0.068 0.000 1.028 272 L CA -0.584 54.323 54.840 0.111 0.000 0.835 272 L CB 0.741 42.830 42.059 0.050 0.000 1.215 272 L HN 0.415 nan 8.230 nan 0.000 0.425 273 L N 6.204 127.482 121.223 0.092 0.000 2.305 273 L HA 0.573 4.914 4.340 0.001 0.000 0.281 273 L C -0.823 176.056 176.870 0.015 0.000 1.085 273 L CA 0.108 54.878 54.840 -0.117 0.000 0.813 273 L CB 1.480 43.210 42.059 -0.549 0.000 1.157 273 L HN 0.433 nan 8.230 nan 0.000 0.436 274 V N 6.798 126.688 119.914 -0.040 0.000 2.376 274 V HA 0.454 4.575 4.120 0.001 0.000 0.287 274 V C -0.611 175.422 176.094 -0.101 0.000 1.015 274 V CA -0.519 61.778 62.300 -0.004 0.000 0.834 274 V CB 1.367 33.220 31.823 0.050 0.000 1.001 274 V HN 0.657 nan 8.190 nan 0.000 0.428 275 L N 8.890 130.009 121.223 -0.173 0.000 2.362 275 L HA 0.771 5.112 4.340 0.001 0.000 0.275 275 L C -2.685 174.088 176.870 -0.161 0.000 0.998 275 L CA -1.932 52.768 54.840 -0.232 0.000 0.820 275 L CB 2.595 44.418 42.059 -0.394 0.000 1.270 275 L HN 0.336 nan 8.230 nan 0.000 0.415 276 P HA 0.186 nan 4.420 nan 0.000 0.271 276 P C -1.518 175.863 177.300 0.136 0.000 1.216 276 P CA -0.277 62.852 63.100 0.050 0.000 0.771 276 P CB 0.271 32.027 31.700 0.094 0.000 0.864 277 K N 3.854 124.265 120.400 0.018 0.000 2.258 277 K HA 0.553 4.874 4.320 0.001 0.000 0.284 277 K C -0.617 176.030 176.600 0.077 0.000 1.051 277 K CA -0.433 55.835 56.287 -0.031 0.000 0.923 277 K CB 0.168 32.617 32.500 -0.085 0.000 1.046 277 K HN 0.372 nan 8.250 nan 0.000 0.474 278 F N -1.382 118.539 119.950 -0.048 0.000 2.569 278 F HA 0.520 5.048 4.527 0.001 0.000 0.312 278 F C -1.047 174.717 175.800 -0.059 0.000 1.109 278 F CA -1.144 56.820 58.000 -0.059 0.000 0.919 278 F CB 2.101 41.066 39.000 -0.059 0.000 1.211 278 F HN 0.321 nan 8.300 nan 0.000 0.446 279 S N 5.095 120.830 115.700 0.059 0.000 2.718 279 S HA 0.648 5.119 4.470 0.001 0.000 0.294 279 S C -1.049 173.610 174.600 0.099 0.000 1.157 279 S CA -0.550 57.653 58.200 0.005 0.000 1.121 279 S CB 0.683 63.874 63.200 -0.015 0.000 1.015 279 S HN 0.482 nan 8.310 nan 0.000 0.479 280 L N 3.228 124.543 121.223 0.154 0.000 2.341 280 L HA 0.684 5.025 4.340 0.001 0.000 0.267 280 L C 0.075 177.038 176.870 0.155 0.000 1.009 280 L CA -0.555 54.383 54.840 0.164 0.000 0.819 280 L CB 1.958 44.142 42.059 0.209 0.000 1.323 280 L HN 0.723 nan 8.230 nan 0.000 0.425 281 E N 0.272 120.559 120.200 0.144 0.000 2.272 281 E HA 0.696 5.047 4.350 0.001 0.000 0.269 281 E C -1.479 175.212 176.600 0.152 0.000 0.877 281 E CA -0.635 55.855 56.400 0.150 0.000 0.755 281 E CB 2.305 32.084 29.700 0.132 0.000 1.192 281 E HN 0.426 nan 8.360 nan 0.000 0.422 282 T N 1.725 116.383 114.554 0.174 0.000 2.916 282 T HA 0.335 4.686 4.350 0.001 0.000 0.298 282 T C -1.280 173.520 174.700 0.166 0.000 1.031 282 T CA -0.745 61.458 62.100 0.172 0.000 0.993 282 T CB 1.742 70.742 68.868 0.221 0.000 1.045 282 T HN 0.583 nan 8.240 nan 0.000 0.454 283 E N 2.165 122.445 120.200 0.133 0.000 2.210 283 E HA 0.644 4.995 4.350 0.001 0.000 0.266 283 E C -1.454 175.215 176.600 0.115 0.000 0.883 283 E CA -0.708 55.761 56.400 0.115 0.000 0.761 283 E CB 1.361 31.106 29.700 0.074 0.000 1.156 283 E HN 0.355 nan 8.360 nan 0.000 0.412 284 V N 3.113 123.109 119.914 0.138 0.000 2.680 284 V HA 0.204 4.325 4.120 0.001 0.000 0.309 284 V C -0.452 175.696 176.094 0.091 0.000 1.052 284 V CA -0.937 61.440 62.300 0.129 0.000 0.908 284 V CB 1.842 33.812 31.823 0.244 0.000 1.001 284 V HN 0.697 nan 8.190 nan 0.000 0.431 285 D N 3.517 123.940 120.400 0.038 0.000 2.500 285 D HA 0.192 4.833 4.640 0.001 0.000 0.219 285 D C 0.960 177.256 176.300 -0.006 0.000 1.137 285 D CA -0.421 53.582 54.000 0.004 0.000 0.946 285 D CB 1.046 41.821 40.800 -0.042 0.000 1.022 285 D HN 0.279 nan 8.370 nan 0.000 0.518 286 L N 3.196 124.460 121.223 0.068 0.000 2.283 286 L HA -0.194 4.146 4.340 0.001 0.000 0.217 286 L C 2.364 179.250 176.870 0.027 0.000 1.104 286 L CA 1.211 56.114 54.840 0.105 0.000 0.772 286 L CB -0.939 41.246 42.059 0.211 0.000 0.899 286 L HN 0.477 nan 8.230 nan 0.000 0.439 287 R N -0.149 120.236 120.500 -0.193 0.000 2.097 287 R HA -0.266 4.075 4.340 0.001 0.000 0.236 287 R C 2.300 178.367 176.300 -0.388 0.000 1.135 287 R CA 2.024 57.690 56.100 -0.724 0.000 0.934 287 R CB -0.104 29.489 30.300 -1.177 0.000 0.846 287 R HN 0.098 nan 8.270 nan 0.000 0.431 288 K N -0.205 120.042 120.400 -0.255 0.000 2.032 288 K HA -0.069 4.252 4.320 0.001 0.000 0.209 288 K C -0.934 175.609 176.600 -0.095 0.000 1.048 288 K CA 1.750 57.943 56.287 -0.157 0.000 0.927 288 K CB -0.806 31.616 32.500 -0.130 0.000 0.712 288 K HN 0.283 nan 8.250 nan 0.000 0.441 289 P HA -0.085 nan 4.420 nan 0.000 0.217 289 P C 0.910 178.205 177.300 -0.009 0.000 1.151 289 P CA 1.026 64.080 63.100 -0.077 0.000 0.828 289 P CB 0.133 31.763 31.700 -0.116 0.000 0.788 290 L N -0.640 120.627 121.223 0.073 0.000 2.109 290 L HA -0.135 4.206 4.340 0.001 0.000 0.207 290 L C 2.268 179.244 176.870 0.176 0.000 1.086 290 L CA 1.454 56.405 54.840 0.186 0.000 0.760 290 L CB -0.776 41.504 42.059 0.369 0.000 0.910 290 L HN 0.012 nan 8.230 nan 0.000 0.437 291 E N 0.298 120.581 120.200 0.139 0.000 2.106 291 E HA -0.190 4.161 4.350 0.001 0.000 0.192 291 E C 1.706 178.341 176.600 0.058 0.000 0.984 291 E CA 1.243 57.711 56.400 0.113 0.000 0.806 291 E CB -0.154 29.581 29.700 0.059 0.000 0.750 291 E HN 0.569 nan 8.360 nan 0.000 0.458 292 N N 0.285 118.999 118.700 0.023 0.000 2.453 292 N HA -0.063 4.678 4.740 0.001 0.000 0.183 292 N C 1.170 176.689 175.510 0.016 0.000 1.041 292 N CA 0.331 53.382 53.050 0.002 0.000 0.900 292 N CB 0.146 38.615 38.487 -0.031 0.000 0.961 292 N HN 0.090 nan 8.380 nan 0.000 0.443 293 L N -0.644 120.606 121.223 0.044 0.000 2.607 293 L HA 0.236 4.577 4.340 0.001 0.000 0.228 293 L C 1.090 178.010 176.870 0.084 0.000 1.123 293 L CA -0.023 54.858 54.840 0.068 0.000 0.890 293 L CB 0.162 42.285 42.059 0.108 0.000 1.103 293 L HN 0.245 nan 8.230 nan 0.000 0.468 294 G N 0.232 109.073 108.800 0.068 0.000 2.163 294 G HA2 -0.258 3.703 3.960 0.001 0.000 0.213 294 G HA3 -0.258 3.703 3.960 0.001 0.000 0.213 294 G C 0.235 175.170 174.900 0.059 0.000 0.991 294 G CA -0.362 44.770 45.100 0.054 0.000 0.653 294 G HN 0.260 nan 8.290 nan 0.000 0.518 295 M N 2.623 122.279 119.600 0.094 0.000 2.628 295 M HA 0.325 4.806 4.480 0.001 0.000 0.327 295 M C 1.559 177.950 176.300 0.153 0.000 1.223 295 M CA 0.401 55.757 55.300 0.094 0.000 1.221 295 M CB 0.681 33.349 32.600 0.114 0.000 1.202 295 M HN 0.321 nan 8.290 nan 0.000 0.473 296 T N -3.658 110.958 114.554 0.104 0.000 3.021 296 T HA 0.038 4.389 4.350 0.001 0.000 0.245 296 T C 1.153 175.914 174.700 0.101 0.000 1.028 296 T CA 0.549 62.730 62.100 0.135 0.000 1.139 296 T CB 0.039 68.953 68.868 0.076 0.000 0.884 296 T HN 0.299 nan 8.240 nan 0.000 0.457 297 D N 2.501 122.910 120.400 0.016 0.000 2.133 297 D HA -0.127 4.513 4.640 0.001 0.000 0.195 297 D C 2.182 178.448 176.300 -0.056 0.000 0.997 297 D CA 1.784 55.767 54.000 -0.030 0.000 0.840 297 D CB -0.482 40.271 40.800 -0.078 0.000 0.947 297 D HN 0.674 nan 8.370 nan 0.000 0.452 298 M N -1.664 117.855 119.600 -0.135 0.000 2.346 298 M HA -0.087 4.394 4.480 0.001 0.000 0.263 298 M C 0.852 177.080 176.300 -0.120 0.000 1.064 298 M CA 1.403 56.601 55.300 -0.170 0.000 1.083 298 M CB -0.425 31.982 32.600 -0.321 0.000 1.399 298 M HN -0.151 nan 8.290 nan 0.000 0.435 299 F N 1.363 121.372 119.950 0.098 0.000 2.693 299 F HA 0.360 4.888 4.527 0.001 0.000 0.303 299 F C 0.506 176.195 175.800 -0.185 0.000 1.097 299 F CA -0.257 57.769 58.000 0.043 0.000 1.330 299 F CB 0.028 39.049 39.000 0.036 0.000 1.067 299 F HN 0.026 nan 8.300 nan 0.000 0.565 300 R N 0.629 121.073 120.500 -0.093 0.000 2.445 300 R HA 0.183 4.524 4.340 0.001 0.000 0.308 300 R C 1.139 177.179 176.300 -0.433 0.000 0.961 300 R CA -0.537 55.419 56.100 -0.240 0.000 0.862 300 R CB 1.586 31.850 30.300 -0.061 0.000 1.144 300 R HN 0.116 nan 8.270 nan 0.000 0.447 301 Q N 1.651 121.074 119.800 -0.629 0.000 2.135 301 Q HA -0.148 4.193 4.340 0.001 0.000 0.204 301 Q C 0.580 176.230 176.000 -0.584 0.000 0.981 301 Q CA 2.087 57.487 55.803 -0.672 0.000 0.856 301 Q CB 0.182 28.420 28.738 -0.834 0.000 0.902 301 Q HN 0.554 nan 8.270 nan 0.000 0.425 302 F N -1.033 118.899 119.950 -0.030 0.000 2.678 302 F HA 0.150 4.678 4.527 0.002 0.000 0.291 302 F C 2.231 178.029 175.800 -0.004 0.000 1.123 302 F CA 0.028 58.027 58.000 -0.002 0.000 1.395 302 F CB 0.080 39.076 39.000 -0.007 0.000 1.121 302 F HN -0.023 nan 8.300 nan 0.000 0.592 303 Q N 0.826 120.696 119.800 0.117 0.000 2.165 303 Q HA 0.249 4.590 4.340 0.001 0.000 0.197 303 Q C 1.153 177.159 176.000 0.010 0.000 0.952 303 Q CA 0.371 56.209 55.803 0.058 0.000 0.848 303 Q CB -0.107 28.653 28.738 0.037 0.000 0.931 303 Q HN 0.245 nan 8.270 nan 0.000 0.470 304 A N 2.162 124.987 122.820 0.009 0.000 2.598 304 A HA -0.084 4.237 4.320 0.001 0.000 0.239 304 A C -0.219 177.350 177.584 -0.024 0.000 1.032 304 A CA 0.555 52.594 52.037 0.004 0.000 0.760 304 A CB 0.032 19.173 19.000 0.236 0.000 0.946 304 A HN 0.179 nan 8.150 nan 0.000 0.512 305 D N 2.485 122.732 120.400 -0.254 0.000 2.440 305 D HA 0.435 5.076 4.640 0.001 0.000 0.252 305 D C -1.160 174.888 176.300 -0.421 0.000 1.180 305 D CA -0.220 53.653 54.000 -0.212 0.000 0.894 305 D CB 0.288 40.982 40.800 -0.176 0.000 1.111 305 D HN 0.330 nan 8.370 nan 0.000 0.544 306 F N 1.572 121.474 119.950 -0.080 0.000 2.908 306 F HA 0.078 4.606 4.527 0.002 0.000 0.328 306 F C 2.183 177.901 175.800 -0.136 0.000 1.211 306 F CA -0.322 57.604 58.000 -0.122 0.000 1.291 306 F CB 0.743 39.661 39.000 -0.137 0.000 0.962 306 F HN 0.237 nan 8.300 nan 0.000 0.505 307 T N -4.247 110.309 114.554 0.004 0.000 3.139 307 T HA -0.117 4.233 4.350 0.001 0.000 0.267 307 T C 1.719 176.392 174.700 -0.044 0.000 1.164 307 T CA 1.303 63.395 62.100 -0.014 0.000 1.075 307 T CB -0.223 68.637 68.868 -0.014 0.000 0.904 307 T HN 0.159 nan 8.240 nan 0.000 0.540 308 S N 0.291 115.942 115.700 -0.083 0.000 2.524 308 S HA 0.288 4.759 4.470 0.001 0.000 0.216 308 S C 1.385 175.780 174.600 -0.341 0.000 0.987 308 S CA -0.104 58.032 58.200 -0.107 0.000 0.909 308 S CB 0.080 63.248 63.200 -0.054 0.000 0.781 308 S HN 0.451 nan 8.310 nan 0.000 0.521 309 L N 1.497 122.458 121.223 -0.437 0.000 2.425 309 L HA 0.397 4.738 4.340 0.001 0.000 0.215 309 L C 0.054 176.771 176.870 -0.254 0.000 1.065 309 L CA 0.835 55.237 54.840 -0.730 0.000 0.842 309 L CB 0.214 41.931 42.059 -0.570 0.000 1.033 309 L HN 0.185 nan 8.230 nan 0.000 0.474 310 S N -1.871 113.756 115.700 -0.122 0.000 2.604 310 S HA 0.281 4.752 4.470 0.001 0.000 0.296 310 S C -0.568 174.023 174.600 -0.014 0.000 1.097 310 S CA -0.227 57.949 58.200 -0.040 0.000 0.883 310 S CB 0.342 63.523 63.200 -0.032 0.000 1.081 310 S HN 0.214 nan 8.310 nan 0.000 0.448 311 D N 0.485 120.885 120.400 0.001 0.000 2.354 311 D HA 0.108 4.749 4.640 0.001 0.000 0.209 311 D C 0.441 176.749 176.300 0.015 0.000 1.015 311 D CA 0.244 54.249 54.000 0.008 0.000 0.867 311 D CB 0.178 40.983 40.800 0.010 0.000 0.933 311 D HN 0.406 nan 8.370 nan 0.000 0.520 312 Q N 1.593 121.402 119.800 0.014 0.000 2.425 312 Q HA 0.300 4.641 4.340 0.001 0.000 0.254 312 Q C -0.937 175.073 176.000 0.017 0.000 1.032 312 Q CA -0.178 55.636 55.803 0.017 0.000 0.798 312 Q CB 0.297 29.044 28.738 0.016 0.000 1.210 312 Q HN 0.390 nan 8.270 nan 0.000 0.491 313 E N 3.515 123.729 120.200 0.024 0.000 2.412 313 E HA 0.231 4.582 4.350 0.001 0.000 0.283 313 E C -2.848 173.773 176.600 0.036 0.000 1.160 313 E CA -0.973 55.440 56.400 0.021 0.000 0.918 313 E CB -0.092 29.612 29.700 0.007 0.000 1.194 313 E HN 0.318 nan 8.360 nan 0.000 0.428 314 P HA 0.445 nan 4.420 nan 0.000 0.253 314 P C -0.146 177.172 177.300 0.030 0.000 1.863 314 P CA -0.363 62.761 63.100 0.039 0.000 1.145 314 P CB 0.158 31.876 31.700 0.030 0.000 1.666 315 L N 1.192 122.434 121.223 0.031 0.000 2.476 315 L HA 0.365 4.706 4.340 0.001 0.000 0.264 315 L C 0.521 177.459 176.870 0.114 0.000 1.224 315 L CA 0.144 54.968 54.840 -0.028 0.000 0.821 315 L CB 0.222 42.229 42.059 -0.087 0.000 1.101 315 L HN 0.435 nan 8.230 nan 0.000 0.488 316 H N -1.892 117.070 119.070 -0.180 0.000 2.947 316 H HA 0.199 4.755 4.556 0.001 0.000 0.273 316 H C -1.491 173.650 175.328 -0.311 0.000 1.283 316 H CA -1.073 54.915 56.048 -0.100 0.000 1.490 316 H CB -0.006 29.787 29.762 0.050 0.000 1.935 316 H HN 0.136 nan 8.280 nan 0.000 0.501 317 V N 2.330 122.103 119.914 -0.234 0.000 2.450 317 V HA 0.314 4.435 4.120 0.001 0.000 0.281 317 V C 1.484 177.573 176.094 -0.008 0.000 1.019 317 V CA 0.820 62.983 62.300 -0.228 0.000 1.062 317 V CB 0.102 31.816 31.823 -0.181 0.000 0.979 317 V HN 1.027 nan 8.190 nan 0.000 0.477 318 A N 5.286 127.987 122.820 -0.198 0.000 2.132 318 A HA 0.393 4.714 4.320 0.001 0.000 0.213 318 A C 0.448 178.045 177.584 0.022 0.000 1.154 318 A CA 0.538 52.505 52.037 -0.116 0.000 0.753 318 A CB 0.102 18.914 19.000 -0.313 0.000 0.826 318 A HN 0.646 nan 8.150 nan 0.000 0.469 319 L N -0.989 120.258 121.223 0.039 0.000 2.661 319 L HA 0.620 4.960 4.340 0.001 0.000 0.263 319 L C -0.880 176.066 176.870 0.127 0.000 0.956 319 L CA -0.055 54.828 54.840 0.073 0.000 0.918 319 L CB 1.292 43.337 42.059 -0.023 0.000 1.280 319 L HN 0.146 nan 8.230 nan 0.000 0.416 320 A N 5.122 128.083 122.820 0.235 0.000 2.287 320 A HA 0.895 5.216 4.320 0.001 0.000 0.317 320 A C -1.245 176.435 177.584 0.160 0.000 1.220 320 A CA -0.367 51.810 52.037 0.234 0.000 0.835 320 A CB 0.842 20.097 19.000 0.426 0.000 1.180 320 A HN 0.948 nan 8.150 nan 0.000 0.500 321 L N -0.534 120.760 121.223 0.119 0.000 2.600 321 L HA 0.848 5.189 4.340 0.001 0.000 0.257 321 L C -0.839 176.089 176.870 0.097 0.000 1.048 321 L CA -0.583 54.317 54.840 0.100 0.000 0.869 321 L CB 1.545 43.641 42.059 0.061 0.000 1.482 321 L HN 0.713 nan 8.230 nan 0.000 0.408 322 Q N 0.526 120.387 119.800 0.103 0.000 2.379 322 Q HA 0.566 4.906 4.340 0.001 0.000 0.278 322 Q C -1.831 174.227 176.000 0.096 0.000 1.068 322 Q CA -0.879 54.972 55.803 0.079 0.000 0.816 322 Q CB 2.468 31.227 28.738 0.034 0.000 1.387 322 Q HN 0.713 nan 8.270 nan 0.000 0.413 323 K N 2.541 122.997 120.400 0.092 0.000 2.541 323 K HA 0.491 4.812 4.320 0.001 0.000 0.250 323 K C -1.760 174.928 176.600 0.148 0.000 0.950 323 K CA -0.469 55.889 56.287 0.119 0.000 0.805 323 K CB 2.024 34.588 32.500 0.107 0.000 1.166 323 K HN 0.480 nan 8.250 nan 0.000 0.430 324 V N 3.403 123.423 119.914 0.177 0.000 2.540 324 V HA 0.396 4.517 4.120 0.001 0.000 0.302 324 V C -0.636 175.583 176.094 0.209 0.000 1.035 324 V CA -0.896 61.539 62.300 0.226 0.000 0.873 324 V CB 1.937 33.922 31.823 0.270 0.000 0.992 324 V HN 0.586 nan 8.190 nan 0.000 0.428 325 K N 4.580 125.091 120.400 0.186 0.000 2.507 325 K HA 0.618 4.939 4.320 0.001 0.000 0.253 325 K C -1.266 175.303 176.600 -0.052 0.000 0.969 325 K CA -0.350 56.023 56.287 0.143 0.000 0.908 325 K CB 0.841 33.516 32.500 0.292 0.000 1.127 325 K HN 0.445 nan 8.250 nan 0.000 0.437 326 I N 3.075 123.633 120.570 -0.020 0.000 2.441 326 I HA 0.380 4.551 4.170 0.001 0.000 0.295 326 I C -0.118 175.886 176.117 -0.188 0.000 0.994 326 I CA -0.607 60.614 61.300 -0.131 0.000 1.144 326 I CB 1.717 39.780 38.000 0.106 0.000 1.314 326 I HN 0.634 nan 8.210 nan 0.000 0.445 327 E N 4.601 124.567 120.200 -0.391 0.000 2.293 327 E HA 0.675 5.026 4.350 0.001 0.000 0.270 327 E C -1.459 174.812 176.600 -0.547 0.000 0.879 327 E CA -0.737 55.422 56.400 -0.401 0.000 0.756 327 E CB 3.423 32.931 29.700 -0.320 0.000 1.208 327 E HN 0.223 nan 8.360 nan 0.000 0.428 328 V N 3.919 123.458 119.914 -0.625 0.000 2.612 328 V HA 0.394 4.515 4.120 0.001 0.000 0.301 328 V C -0.350 175.564 176.094 -0.300 0.000 1.059 328 V CA -0.643 61.318 62.300 -0.566 0.000 0.886 328 V CB 1.435 32.600 31.823 -1.097 0.000 1.007 328 V HN 0.805 nan 8.190 nan 0.000 0.426 329 N N 2.587 121.265 118.700 -0.036 0.000 3.439 329 N HA 0.323 5.064 4.740 0.001 0.000 0.313 329 N C 0.073 175.790 175.510 0.345 0.000 1.598 329 N CA -0.698 52.386 53.050 0.056 0.000 0.830 329 N CB 1.849 40.328 38.487 -0.014 0.000 1.849 329 N HN 0.265 nan 8.380 nan 0.000 0.598 330 E N 0.174 120.531 120.200 0.262 0.000 2.268 330 E HA 0.062 4.413 4.350 0.001 0.000 0.195 330 E C -0.475 176.384 176.600 0.433 0.000 0.995 330 E CA 0.692 57.337 56.400 0.407 0.000 0.836 330 E CB -0.176 29.674 29.700 0.250 0.000 0.763 330 E HN 0.542 nan 8.360 nan 0.000 0.491 331 S N -0.683 115.164 115.700 0.245 0.000 3.783 331 S HA 0.014 4.485 4.470 0.001 0.000 0.497 331 S C 0.376 175.053 174.600 0.127 0.000 0.804 331 S CA 0.414 58.699 58.200 0.142 0.000 1.361 331 S CB -1.469 61.822 63.200 0.151 0.000 0.873 331 S HN 0.761 nan 8.310 nan 0.000 0.671 332 G N 0.244 109.095 108.800 0.086 0.000 2.321 332 G HA2 0.020 3.981 3.960 0.001 0.000 0.219 332 G HA3 0.020 3.981 3.960 0.001 0.000 0.219 332 G C -0.292 174.647 174.900 0.065 0.000 1.057 332 G CA -0.167 44.973 45.100 0.066 0.000 0.849 332 G HN 0.703 nan 8.290 nan 0.000 0.520 333 T N 1.904 116.494 114.554 0.059 0.000 2.840 333 T HA 0.305 4.656 4.350 0.001 0.000 0.276 333 T C 1.792 176.510 174.700 0.030 0.000 0.912 333 T CA 0.244 62.373 62.100 0.049 0.000 1.116 333 T CB 1.632 70.522 68.868 0.036 0.000 0.895 333 T HN 0.151 nan 8.240 nan 0.000 0.570 334 V N 2.928 122.861 119.914 0.032 0.000 2.270 334 V HA 0.001 4.122 4.120 0.001 0.000 0.245 334 V C 1.564 177.669 176.094 0.018 0.000 1.043 334 V CA 1.281 63.594 62.300 0.022 0.000 1.014 334 V CB -1.022 30.816 31.823 0.024 0.000 0.645 334 V HN 1.131 nan 8.190 nan 0.000 0.447 335 A N 0.992 123.825 122.820 0.022 0.000 1.679 335 A HA -0.111 4.210 4.320 0.001 0.000 0.221 335 A C 0.821 178.413 177.584 0.013 0.000 1.286 335 A CA 0.832 52.879 52.037 0.017 0.000 0.693 335 A CB -1.417 17.589 19.000 0.010 0.000 1.179 335 A HN 1.410 nan 8.150 nan 0.000 0.226 336 S N -0.157 115.553 115.700 0.016 0.000 3.067 336 S HA 0.519 4.990 4.470 0.001 0.000 0.253 336 S C 0.135 174.744 174.600 0.015 0.000 0.942 336 S CA 0.742 58.950 58.200 0.013 0.000 1.197 336 S CB -0.496 62.712 63.200 0.013 0.000 1.143 336 S HN 2.282 nan 8.310 nan 0.000 0.638 337 S N 1.537 117.248 115.700 0.018 0.000 3.393 337 S HA -0.101 4.370 4.470 0.001 0.000 0.655 337 S C 0.403 175.017 174.600 0.023 0.000 0.634 337 S CA 0.318 58.530 58.200 0.020 0.000 1.428 337 S CB -1.608 61.602 63.200 0.017 0.000 0.998 337 S HN 0.775 nan 8.310 nan 0.000 0.915 341 V N 0.235 120.153 119.914 0.006 0.000 2.379 341 V HA 0.310 4.431 4.120 0.001 0.000 0.245 341 V C 1.248 177.344 176.094 0.002 0.000 1.044 341 V CA 1.571 63.873 62.300 0.004 0.000 1.036 341 V CB -1.016 30.809 31.823 0.003 0.000 0.664 341 V HN 1.098 nan 8.190 nan 0.000 0.453 342 I N -1.490 119.081 120.570 0.002 0.000 3.206 342 I HA 0.843 5.014 4.170 0.001 0.000 0.313 342 I C -1.189 174.928 176.117 0.000 0.000 1.103 342 I CA -1.199 60.101 61.300 -0.000 0.000 0.985 342 I CB 2.680 40.679 38.000 -0.001 0.000 1.240 342 I HN -0.154 nan 8.210 nan 0.000 0.464 343 V N 2.530 122.442 119.914 -0.003 0.000 2.697 343 V HA 0.429 4.549 4.120 0.001 0.000 0.296 343 V C -0.527 175.562 176.094 -0.008 0.000 1.140 343 V CA -0.270 62.027 62.300 -0.004 0.000 0.921 343 V CB 1.312 33.131 31.823 -0.007 0.000 1.036 343 V HN 0.907 nan 8.190 nan 0.000 0.438 344 S N 2.283 117.979 115.700 -0.007 0.000 2.638 344 S HA 1.022 5.493 4.470 0.001 0.000 0.302 344 S C -0.212 174.382 174.600 -0.011 0.000 1.096 344 S CA -0.125 58.069 58.200 -0.010 0.000 0.953 344 S CB 2.251 65.446 63.200 -0.009 0.000 1.107 344 S HN 1.483 nan 8.310 nan 0.000 0.503 345 A N 1.277 124.089 122.820 -0.014 0.000 2.567 345 A HA 0.651 4.972 4.320 0.001 0.000 0.291 345 A C -1.526 176.047 177.584 -0.019 0.000 1.048 345 A CA -0.957 51.070 52.037 -0.016 0.000 0.661 345 A CB 0.938 19.930 19.000 -0.013 0.000 1.288 345 A HN 0.699 nan 8.150 nan 0.000 0.424 346 R N 0.636 121.122 120.500 -0.023 0.000 2.357 346 R HA 0.542 4.883 4.340 0.001 0.000 0.296 346 R C -0.097 176.191 176.300 -0.020 0.000 1.052 346 R CA -0.209 55.877 56.100 -0.025 0.000 0.988 346 R CB 0.885 31.165 30.300 -0.034 0.000 1.025 346 R HN 0.745 nan 8.270 nan 0.000 0.469 347 M N 1.798 121.388 119.600 -0.017 0.000 2.242 347 M HA 0.301 4.782 4.480 0.001 0.000 0.344 347 M C 0.013 176.306 176.300 -0.012 0.000 1.140 347 M CA 0.009 55.302 55.300 -0.013 0.000 1.160 347 M CB 1.437 34.030 32.600 -0.012 0.000 1.491 347 M HN 0.648 nan 8.290 nan 0.000 0.459 348 A N 3.183 126.000 122.820 -0.005 0.000 2.374 348 A HA 0.672 4.993 4.320 0.001 0.000 0.317 348 A C -2.133 175.449 177.584 -0.003 0.000 1.094 348 A CA -1.450 50.586 52.037 -0.001 0.000 0.765 348 A CB 0.768 19.777 19.000 0.015 0.000 1.268 348 A HN 0.631 nan 8.150 nan 0.000 0.438 349 P HA -0.107 nan 4.420 nan 0.000 0.216 349 P C 0.255 177.547 177.300 -0.012 0.000 1.157 349 P CA 1.485 64.580 63.100 -0.008 0.000 0.880 349 P CB 0.381 32.077 31.700 -0.007 0.000 0.791 350 E N -1.740 118.451 120.200 -0.015 0.000 2.456 350 E HA 0.232 4.583 4.350 0.001 0.000 0.276 350 E C -0.894 175.692 176.600 -0.023 0.000 0.981 350 E CA -0.622 55.763 56.400 -0.025 0.000 0.814 350 E CB 1.853 31.529 29.700 -0.041 0.000 1.382 350 E HN 0.180 nan 8.360 nan 0.000 0.459 351 E N 0.926 121.107 120.200 -0.032 0.000 2.256 351 E HA 0.599 4.950 4.350 0.001 0.000 0.267 351 E C -0.511 176.051 176.600 -0.063 0.000 0.892 351 E CA -0.681 55.700 56.400 -0.032 0.000 0.775 351 E CB 1.600 31.291 29.700 -0.017 0.000 1.207 351 E HN 0.288 nan 8.360 nan 0.000 0.420 352 I N 3.467 123.985 120.570 -0.086 0.000 2.464 352 I HA 0.231 4.402 4.170 0.001 0.000 0.277 352 I C -0.694 175.358 176.117 -0.107 0.000 1.040 352 I CA -0.932 60.300 61.300 -0.114 0.000 1.153 352 I CB 0.942 38.837 38.000 -0.175 0.000 1.274 352 I HN 0.464 nan 8.210 nan 0.000 0.469 353 I N 6.614 127.137 120.570 -0.079 0.000 2.325 353 I HA 0.259 4.430 4.170 0.001 0.000 0.291 353 I C 0.326 176.384 176.117 -0.098 0.000 1.019 353 I CA -0.481 60.774 61.300 -0.074 0.000 1.302 353 I CB 1.296 39.262 38.000 -0.057 0.000 1.401 353 I HN 0.354 nan 8.210 nan 0.000 0.485 354 I N 6.697 127.200 120.570 -0.112 0.000 2.257 354 I HA 0.119 4.290 4.170 0.001 0.000 0.290 354 I C 0.218 176.333 176.117 -0.005 0.000 1.137 354 I CA -0.103 61.119 61.300 -0.131 0.000 1.255 354 I CB -0.180 37.624 38.000 -0.327 0.000 1.485 354 I HN 0.515 nan 8.210 nan 0.000 0.534 355 D N 3.205 123.505 120.400 -0.166 0.000 2.891 355 D HA 0.347 4.988 4.640 0.001 0.000 0.312 355 D C 0.307 176.055 176.300 -0.919 0.000 1.354 355 D CA -0.188 53.581 54.000 -0.384 0.000 0.838 355 D CB 0.288 40.883 40.800 -0.343 0.000 1.117 355 D HN 0.408 nan 8.370 nan 0.000 0.473 356 R N -0.089 119.849 120.500 -0.936 0.000 2.692 356 R HA 0.663 5.003 4.340 0.001 0.000 0.269 356 R C -3.349 172.762 176.300 -0.315 0.000 1.030 356 R CA -1.546 54.145 56.100 -0.683 0.000 0.882 356 R CB -0.608 29.572 30.300 -0.200 0.000 1.250 356 R HN -0.055 nan 8.270 nan 0.000 0.465 357 P HA 0.293 nan 4.420 nan 0.000 0.264 357 P C -0.882 176.612 177.300 0.322 0.000 1.179 357 P CA 0.478 63.714 63.100 0.227 0.000 0.763 357 P CB 0.030 31.816 31.700 0.144 0.000 0.806 358 F N 1.428 121.482 119.950 0.173 0.000 2.685 358 F HA 0.745 5.272 4.527 0.001 0.000 0.315 358 F C -1.841 174.045 175.800 0.144 0.000 1.126 358 F CA -1.715 56.376 58.000 0.151 0.000 0.950 358 F CB 0.659 39.749 39.000 0.150 0.000 1.360 358 F HN 0.083 nan 8.300 nan 0.000 0.469 359 L N 1.184 122.586 121.223 0.298 0.000 2.333 359 L HA 0.932 5.273 4.340 0.001 0.000 0.269 359 L C -1.007 176.078 176.870 0.359 0.000 1.010 359 L CA -1.010 53.920 54.840 0.151 0.000 0.818 359 L CB 1.737 43.820 42.059 0.039 0.000 1.306 359 L HN 0.824 nan 8.230 nan 0.000 0.430 360 F N 0.073 120.135 119.950 0.187 0.000 2.593 360 F HA 0.971 5.499 4.527 0.002 0.000 0.320 360 F C -1.198 174.738 175.800 0.226 0.000 1.060 360 F CA -1.362 56.821 58.000 0.304 0.000 0.940 360 F CB 1.936 41.203 39.000 0.445 0.000 1.268 360 F HN 0.328 nan 8.300 nan 0.000 0.475 361 V N 2.889 123.050 119.914 0.411 0.000 2.612 361 V HA 0.448 4.568 4.120 0.001 0.000 0.301 361 V C -0.985 175.401 176.094 0.485 0.000 1.059 361 V CA -0.769 61.679 62.300 0.247 0.000 0.886 361 V CB 1.723 33.638 31.823 0.153 0.000 1.007 361 V HN 0.823 nan 8.190 nan 0.000 0.426 362 V N 6.138 126.294 119.914 0.404 0.000 2.394 362 V HA 0.704 4.825 4.120 0.001 0.000 0.282 362 V C -0.011 176.220 176.094 0.228 0.000 1.031 362 V CA -0.633 61.898 62.300 0.386 0.000 0.881 362 V CB 1.682 33.654 31.823 0.248 0.000 0.982 362 V HN 1.043 nan 8.190 nan 0.000 0.451 363 R N 2.166 122.832 120.500 0.277 0.000 2.744 363 R HA 0.471 4.812 4.340 0.001 0.000 0.279 363 R C -0.409 175.987 176.300 0.161 0.000 0.977 363 R CA -0.686 55.512 56.100 0.163 0.000 0.906 363 R CB 0.919 31.297 30.300 0.130 0.000 1.197 363 R HN 0.770 nan 8.270 nan 0.000 0.463 364 H N 3.580 122.636 119.070 -0.022 0.000 3.089 364 H HA 0.089 4.645 4.556 0.001 0.000 0.262 364 H C -0.228 175.077 175.328 -0.038 0.000 1.160 364 H CA -0.201 55.812 56.048 -0.059 0.000 1.482 364 H CB 0.737 30.437 29.762 -0.105 0.000 1.511 364 H HN 0.641 nan 8.280 nan 0.000 0.483 365 N N 5.758 124.300 118.700 -0.264 0.000 2.094 365 N HA -0.144 4.597 4.740 0.001 0.000 0.191 365 N C -0.962 174.384 175.510 -0.273 0.000 1.023 365 N CA 1.094 54.024 53.050 -0.200 0.000 0.857 365 N CB -1.122 37.289 38.487 -0.126 0.000 1.013 365 N HN 0.607 nan 8.380 nan 0.000 0.426 366 P HA -0.057 nan 4.420 nan 0.000 0.216 366 P C 1.312 178.527 177.300 -0.141 0.000 1.150 366 P CA 1.700 64.610 63.100 -0.316 0.000 0.837 366 P CB -0.053 31.415 31.700 -0.388 0.000 0.786 367 T N -6.865 107.622 114.554 -0.113 0.000 2.985 367 T HA 0.350 4.701 4.350 0.001 0.000 0.254 367 T C 1.429 176.215 174.700 0.143 0.000 1.021 367 T CA 0.400 62.562 62.100 0.103 0.000 0.957 367 T CB -0.460 68.558 68.868 0.250 0.000 1.047 367 T HN 0.176 nan 8.240 nan 0.000 0.511 368 G N 1.786 110.613 108.800 0.044 0.000 2.221 368 G HA2 -0.235 3.726 3.960 0.001 0.000 0.265 368 G HA3 -0.235 3.726 3.960 0.001 0.000 0.265 368 G C 0.042 174.829 174.900 -0.188 0.000 1.041 368 G CA 0.253 45.346 45.100 -0.011 0.000 0.807 368 G HN 0.690 nan 8.290 nan 0.000 0.502 369 T N 0.143 114.645 114.554 -0.086 0.000 2.851 369 T HA 0.407 4.758 4.350 0.001 0.000 0.298 369 T C 0.821 175.433 174.700 -0.147 0.000 0.977 369 T CA -0.164 61.843 62.100 -0.156 0.000 1.126 369 T CB 1.985 70.747 68.868 -0.178 0.000 0.916 369 T HN 0.405 nan 8.240 nan 0.000 0.529 370 V N 6.383 126.196 119.914 -0.168 0.000 2.313 370 V HA 0.124 4.245 4.120 0.001 0.000 0.252 370 V C 1.406 177.412 176.094 -0.147 0.000 1.112 370 V CA 0.016 62.234 62.300 -0.137 0.000 0.984 370 V CB -0.569 31.165 31.823 -0.150 0.000 1.157 370 V HN 0.832 nan 8.190 nan 0.000 0.493 371 L N 3.470 124.578 121.223 -0.191 0.000 1.973 371 L HA 0.082 4.422 4.340 0.001 0.000 0.208 371 L C 0.460 176.916 176.870 -0.690 0.000 1.073 371 L CA 1.804 56.387 54.840 -0.430 0.000 0.746 371 L CB -0.139 41.669 42.059 -0.420 0.000 0.891 371 L HN 0.378 nan 8.230 nan 0.000 0.433 372 F N -1.269 118.641 119.950 -0.066 0.000 2.561 372 F HA 0.610 5.138 4.527 0.002 0.000 0.321 372 F C -0.030 175.683 175.800 -0.144 0.000 1.065 372 F CA -0.628 57.350 58.000 -0.036 0.000 0.934 372 F CB 1.834 40.865 39.000 0.052 0.000 1.215 372 F HN -0.185 nan 8.300 nan 0.000 0.471 373 M N 1.753 121.259 119.600 -0.157 0.000 2.294 373 M HA 0.676 5.157 4.480 0.001 0.000 0.280 373 M C -1.424 174.286 176.300 -0.983 0.000 1.085 373 M CA -0.045 54.835 55.300 -0.700 0.000 0.969 373 M CB 1.961 34.185 32.600 -0.626 0.000 1.770 373 M HN 0.769 nan 8.290 nan 0.000 0.485 374 G N 2.541 110.456 108.800 -1.475 0.000 2.766 374 G HA2 0.642 4.603 3.960 0.001 0.000 0.288 374 G HA3 0.642 4.603 3.960 0.001 0.000 0.288 374 G C -2.064 172.659 174.900 -0.296 0.000 1.408 374 G CA -0.447 44.248 45.100 -0.675 0.000 0.852 374 G HN 0.617 nan 8.290 nan 0.000 0.487 375 Q N 0.130 119.969 119.800 0.065 0.000 2.397 375 Q HA 0.406 4.747 4.340 0.001 0.000 0.260 375 Q C -1.081 174.879 176.000 -0.068 0.000 1.002 375 Q CA -0.492 55.334 55.803 0.039 0.000 0.716 375 Q CB 2.590 31.426 28.738 0.162 0.000 1.258 375 Q HN 0.277 nan 8.270 nan 0.000 0.477 376 V N 4.879 124.588 119.914 -0.341 0.000 2.339 376 V HA 0.089 4.210 4.120 0.001 0.000 0.261 376 V C 0.862 176.788 176.094 -0.281 0.000 1.058 376 V CA 0.067 62.064 62.300 -0.504 0.000 0.897 376 V CB 0.600 31.700 31.823 -1.205 0.000 1.052 376 V HN 0.840 nan 8.190 nan 0.000 0.480 377 M N 2.018 121.575 119.600 -0.072 0.000 2.325 377 M HA 0.236 4.717 4.480 0.001 0.000 0.265 377 M C 0.840 177.262 176.300 0.204 0.000 1.094 377 M CA 0.975 56.330 55.300 0.091 0.000 1.161 377 M CB -0.054 32.584 32.600 0.063 0.000 1.358 377 M HN 0.610 nan 8.290 nan 0.000 0.446 378 E N 1.084 121.300 120.200 0.027 0.000 2.432 378 E HA 0.329 4.679 4.350 0.001 0.000 0.272 378 E C -2.517 173.969 176.600 -0.190 0.000 0.937 378 E CA -1.547 54.828 56.400 -0.042 0.000 0.812 378 E CB 2.322 32.047 29.700 0.043 0.000 1.377 378 E HN 0.007 nan 8.360 nan 0.000 0.399 379 P HA 0.000 nan 4.420 nan 0.000 0.216 379 P CA 0.000 62.940 63.100 -0.266 0.000 0.800 379 P CB 0.000 31.475 31.700 -0.375 0.000 0.726