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 1so7_1_A DATA FIRST_RESID 4 DATA SEQUENCE LPVLQKESVF QSGAHAYRIP ALLYLPGQQS LLAFAEQRXX XXXXXAELIV DATA SEQUENCE LRRGDYDAPT HQVQWQAQEV VAQARLDGHR SMNPCPLYDA QTGTLFLFFI DATA SEQUENCE AIPGQVTEQQ QLQTRANVTR LCQVTSTDHG RTWSSPRDLT DAAIGPAYRE DATA SEQUENCE WSTFAVGPGH CLQLNDRARS LVVPAYAYRK LHPIQRPIPS AFCFLSHDHG DATA SEQUENCE RTWARGHFVA QDTLECQVAE VETXXQRVVT LNARSHLRAR VQAQSTNDGL DATA SEQUENCE DFQESQLVKK LVEPPPQGCQ GSVISFPSPR XXXXSPAQWL LYTHPTHSWQ DATA SEQUENCE RADLGAYLNP RPPAPEAWSE PVLLAKGSCA YSDLQSMGTG PDGSPLFGCL DATA SEQUENCE YEANDYEEIV FLMFTLKQAF PAEY 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 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.808 176.870 -0.103 0.000 1.165 4 L CA 0.000 54.750 54.840 -0.149 0.000 0.813 4 L CB 0.000 41.916 42.059 -0.238 0.000 0.961 5 P HA 0.505 nan 4.420 nan 0.000 0.284 5 P C -0.859 176.443 177.300 0.004 0.000 1.253 5 P CA -0.349 62.738 63.100 -0.023 0.000 0.800 5 P CB 1.959 33.654 31.700 -0.008 0.000 0.961 6 V N 0.104 120.038 119.914 0.034 0.000 3.001 6 V HA 0.352 4.472 4.120 -0.000 0.000 0.314 6 V C 1.170 177.331 176.094 0.112 0.000 1.099 6 V CA -0.875 61.480 62.300 0.093 0.000 0.989 6 V CB 1.689 33.560 31.823 0.081 0.000 1.040 6 V HN 0.404 nan 8.190 nan 0.000 0.434 7 L N 0.133 121.446 121.223 0.151 0.000 2.209 7 L HA 0.308 4.648 4.340 -0.000 0.000 0.207 7 L C 1.116 178.078 176.870 0.155 0.000 1.094 7 L CA 1.159 56.108 54.840 0.181 0.000 0.790 7 L CB 0.022 42.218 42.059 0.228 0.000 0.932 7 L HN 0.917 nan 8.230 nan 0.000 0.447 8 Q N -0.074 119.807 119.800 0.136 0.000 2.386 8 Q HA 0.327 4.667 4.340 -0.000 0.000 0.274 8 Q C -1.450 174.613 176.000 0.105 0.000 1.011 8 Q CA -0.666 55.224 55.803 0.144 0.000 0.867 8 Q CB 2.288 31.176 28.738 0.249 0.000 1.409 8 Q HN -0.085 nan 8.270 nan 0.000 0.395 9 K N 2.865 123.338 120.400 0.122 0.000 2.652 9 K HA 0.314 4.634 4.320 -0.000 0.000 0.249 9 K C -1.983 174.684 176.600 0.111 0.000 0.986 9 K CA -0.171 56.177 56.287 0.101 0.000 0.867 9 K CB 1.192 33.738 32.500 0.075 0.000 1.201 9 K HN 0.709 nan 8.250 nan 0.000 0.450 10 E N 1.828 122.107 120.200 0.132 0.000 2.352 10 E HA 0.293 4.643 4.350 -0.000 0.000 0.280 10 E C -1.391 175.194 176.600 -0.025 0.000 0.930 10 E CA -0.950 55.491 56.400 0.070 0.000 0.765 10 E CB 1.624 31.394 29.700 0.116 0.000 1.219 10 E HN 0.254 nan 8.360 nan 0.000 0.434 11 S N 1.551 117.199 115.700 -0.086 0.000 2.481 11 S HA 0.126 4.596 4.470 -0.000 0.000 0.276 11 S C 0.982 175.415 174.600 -0.279 0.000 1.247 11 S CA -0.254 57.850 58.200 -0.159 0.000 1.053 11 S CB 1.033 64.163 63.200 -0.117 0.000 0.925 11 S HN 0.541 nan 8.310 nan 0.000 0.491 12 V N 0.177 119.823 119.914 -0.447 0.000 3.644 12 V HA 0.486 4.606 4.120 -0.000 0.000 0.267 12 V C -0.283 175.166 176.094 -1.074 0.000 1.277 12 V CA 0.346 62.140 62.300 -0.843 0.000 1.096 12 V CB -0.663 30.388 31.823 -1.287 0.000 0.828 12 V HN 0.578 nan 8.190 nan 0.000 0.446 13 F N 0.800 120.530 119.950 -0.366 0.000 2.574 13 F HA 0.817 5.344 4.527 -0.000 0.000 0.313 13 F C -0.402 175.254 175.800 -0.241 0.000 1.130 13 F CA -0.693 57.023 58.000 -0.473 0.000 0.936 13 F CB 2.077 40.736 39.000 -0.567 0.000 1.219 13 F HN -0.101 nan 8.300 nan 0.000 0.445 14 Q N 2.149 121.972 119.800 0.038 0.000 2.315 14 Q HA 0.624 4.964 4.340 -0.000 0.000 0.273 14 Q C -1.651 174.502 176.000 0.254 0.000 1.053 14 Q CA -0.402 55.471 55.803 0.117 0.000 0.817 14 Q CB 2.550 31.299 28.738 0.019 0.000 1.326 14 Q HN 0.717 nan 8.270 nan 0.000 0.423 15 S N 1.501 117.299 115.700 0.163 0.000 2.616 15 S HA 0.459 4.928 4.470 -0.000 0.000 0.276 15 S C 0.385 174.930 174.600 -0.091 0.000 1.159 15 S CA 0.248 58.492 58.200 0.074 0.000 1.000 15 S CB 0.574 63.811 63.200 0.061 0.000 1.117 15 S HN 0.765 nan 8.310 nan 0.000 0.464 16 G N 2.617 111.351 108.800 -0.110 0.000 2.509 16 G HA2 0.164 4.124 3.960 -0.000 0.000 0.218 16 G HA3 0.164 4.124 3.960 -0.000 0.000 0.218 16 G C 1.017 175.713 174.900 -0.339 0.000 1.124 16 G CA 0.645 45.626 45.100 -0.198 0.000 0.776 16 G HN 1.086 nan 8.290 nan 0.000 0.547 17 A N 0.029 122.714 122.820 -0.223 0.000 2.379 17 A HA 0.437 4.757 4.320 -0.000 0.000 0.236 17 A C 0.702 178.285 177.584 -0.002 0.000 1.272 17 A CA 0.169 52.147 52.037 -0.099 0.000 0.886 17 A CB -0.428 18.550 19.000 -0.037 0.000 0.962 17 A HN 0.539 nan 8.150 nan 0.000 0.504 18 H N -2.456 116.610 119.070 -0.006 0.000 2.770 18 H HA -0.244 4.312 4.556 -0.000 0.000 0.309 18 H C 1.307 176.583 175.328 -0.086 0.000 1.206 18 H CA 0.549 56.599 56.048 0.002 0.000 1.147 18 H CB -1.879 27.890 29.762 0.011 0.000 1.422 18 H HN 0.565 nan 8.280 nan 0.000 0.420 19 A N -0.984 121.764 122.820 -0.120 0.000 2.014 19 A HA 0.046 4.366 4.320 -0.000 0.000 0.218 19 A C 0.332 177.618 177.584 -0.497 0.000 1.163 19 A CA 0.852 52.676 52.037 -0.354 0.000 0.652 19 A CB 0.121 18.787 19.000 -0.557 0.000 0.808 19 A HN 0.380 nan 8.150 nan 0.000 0.449 20 Y N -0.261 120.020 120.300 -0.031 0.000 2.331 20 Y HA 0.685 5.235 4.550 -0.000 0.000 0.338 20 Y C 0.620 176.476 175.900 -0.072 0.000 0.976 20 Y CA -0.611 57.428 58.100 -0.102 0.000 1.137 20 Y CB 1.091 39.474 38.460 -0.128 0.000 1.172 20 Y HN 0.119 nan 8.280 nan 0.000 0.478 21 R N 1.920 122.434 120.500 0.023 0.000 2.795 21 R HA 0.532 4.872 4.340 -0.000 0.000 0.268 21 R C -1.341 174.943 176.300 -0.027 0.000 1.041 21 R CA -1.145 54.951 56.100 -0.007 0.000 0.927 21 R CB 2.026 32.274 30.300 -0.086 0.000 1.235 21 R HN 0.585 nan 8.270 nan 0.000 0.463 22 I N 0.331 120.887 120.570 -0.024 0.000 7.356 22 I HA -0.141 4.029 4.170 -0.000 0.000 0.126 22 I C -2.318 173.876 176.117 0.128 0.000 1.829 22 I CA -0.163 61.180 61.300 0.072 0.000 2.068 22 I CB -2.089 35.944 38.000 0.054 0.000 3.620 22 I HN 0.493 nan 8.210 nan 0.000 0.179 23 P HA 0.494 nan 4.420 nan 0.000 0.275 23 P C -0.380 177.086 177.300 0.276 0.000 1.228 23 P CA -0.106 63.117 63.100 0.207 0.000 0.786 23 P CB 2.096 33.934 31.700 0.230 0.000 0.927 24 A N 2.849 125.868 122.820 0.331 0.000 2.427 24 A HA 0.619 4.939 4.320 -0.000 0.000 0.298 24 A C -1.636 176.248 177.584 0.501 0.000 1.036 24 A CA -0.604 51.670 52.037 0.394 0.000 0.701 24 A CB 1.141 20.340 19.000 0.332 0.000 1.250 24 A HN 0.498 nan 8.150 nan 0.000 0.412 25 L N 2.188 123.698 121.223 0.478 0.000 2.365 25 L HA 0.892 5.232 4.340 -0.000 0.000 0.273 25 L C -1.507 175.644 176.870 0.468 0.000 1.000 25 L CA -0.719 54.401 54.840 0.467 0.000 0.819 25 L CB 1.819 44.130 42.059 0.421 0.000 1.284 25 L HN 0.726 nan 8.230 nan 0.000 0.418 26 L N 4.685 126.189 121.223 0.467 0.000 2.438 26 L HA 0.487 4.827 4.340 -0.000 0.000 0.270 26 L C -1.811 175.271 176.870 0.353 0.000 0.972 26 L CA -0.315 54.787 54.840 0.437 0.000 0.831 26 L CB 1.621 44.001 42.059 0.535 0.000 1.273 26 L HN 0.597 nan 8.230 nan 0.000 0.405 27 Y N 5.290 125.683 120.300 0.156 0.000 2.320 27 Y HA 0.631 5.180 4.550 -0.000 0.000 0.334 27 Y C -1.085 174.776 175.900 -0.066 0.000 1.055 27 Y CA -0.791 57.333 58.100 0.040 0.000 1.143 27 Y CB 1.123 39.588 38.460 0.009 0.000 1.193 27 Y HN 0.530 nan 8.280 nan 0.000 0.477 28 L N 9.656 130.417 121.223 -0.770 0.000 2.277 28 L HA 0.319 4.659 4.340 -0.000 0.000 0.284 28 L C -1.568 174.602 176.870 -1.166 0.000 1.028 28 L CA -1.778 52.571 54.840 -0.818 0.000 0.835 28 L CB 1.513 43.299 42.059 -0.455 0.000 1.215 28 L HN 0.571 nan 8.230 nan 0.000 0.425 29 P HA -0.136 nan 4.420 nan 0.000 0.217 29 P C 1.290 178.400 177.300 -0.316 0.000 1.150 29 P CA 1.299 64.084 63.100 -0.526 0.000 0.832 29 P CB 0.477 32.073 31.700 -0.172 0.000 0.787 30 G N 0.181 108.800 108.800 -0.302 0.000 2.394 30 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.214 30 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.214 30 G C 1.662 176.427 174.900 -0.225 0.000 1.176 30 G CA 0.376 45.370 45.100 -0.176 0.000 0.786 30 G HN 0.190 nan 8.290 nan 0.000 0.533 31 Q N -0.033 119.566 119.800 -0.336 0.000 2.297 31 Q HA 0.007 4.347 4.340 -0.000 0.000 0.204 31 Q C 0.602 176.453 176.000 -0.248 0.000 0.962 31 Q CA 0.404 56.011 55.803 -0.327 0.000 0.879 31 Q CB -0.069 28.423 28.738 -0.411 0.000 0.947 31 Q HN 0.650 nan 8.270 nan 0.000 0.462 32 Q N 0.296 119.905 119.800 -0.318 0.000 2.460 32 Q HA -0.121 4.219 4.340 -0.000 0.000 0.311 32 Q C -0.828 175.104 176.000 -0.113 0.000 1.396 32 Q CA 0.320 56.017 55.803 -0.176 0.000 0.838 32 Q CB -1.630 27.136 28.738 0.046 0.000 1.140 32 Q HN 0.117 nan 8.270 nan 0.000 0.415 33 S N -0.275 115.252 115.700 -0.288 0.000 2.661 33 S HA 0.832 5.302 4.470 -0.000 0.000 0.285 33 S C -0.518 173.997 174.600 -0.142 0.000 1.138 33 S CA -0.839 57.249 58.200 -0.185 0.000 0.855 33 S CB 1.879 64.963 63.200 -0.194 0.000 1.136 33 S HN 0.307 nan 8.310 nan 0.000 0.484 34 L N 1.431 122.584 121.223 -0.117 0.000 2.354 34 L HA 0.631 4.971 4.340 -0.000 0.000 0.269 34 L C -1.320 175.590 176.870 0.068 0.000 1.005 34 L CA -0.725 54.133 54.840 0.030 0.000 0.819 34 L CB 1.427 43.504 42.059 0.030 0.000 1.311 34 L HN 0.374 nan 8.230 nan 0.000 0.423 35 L N 2.415 123.739 121.223 0.169 0.000 2.319 35 L HA 0.653 4.993 4.340 -0.000 0.000 0.281 35 L C -0.287 176.618 176.870 0.059 0.000 1.005 35 L CA -0.541 54.329 54.840 0.051 0.000 0.828 35 L CB 1.828 43.917 42.059 0.050 0.000 1.227 35 L HN 0.653 nan 8.230 nan 0.000 0.415 36 A N 4.281 127.115 122.820 0.022 0.000 2.258 36 A HA 0.777 5.097 4.320 -0.000 0.000 0.316 36 A C -0.981 176.604 177.584 0.003 0.000 1.279 36 A CA -0.260 51.833 52.037 0.093 0.000 0.876 36 A CB 0.216 19.170 19.000 -0.077 0.000 1.170 36 A HN 0.512 nan 8.150 nan 0.000 0.520 37 F N 1.470 121.552 119.950 0.220 0.000 2.483 37 F HA 0.788 5.314 4.527 -0.000 0.000 0.329 37 F C 0.657 176.421 175.800 -0.059 0.000 1.064 37 F CA 0.047 58.102 58.000 0.092 0.000 0.986 37 F CB 2.276 41.318 39.000 0.070 0.000 1.218 37 F HN 0.764 nan 8.300 nan 0.000 0.484 38 A N 0.954 123.755 122.820 -0.031 0.000 2.610 38 A HA 0.581 4.901 4.320 -0.000 0.000 0.291 38 A C -1.482 176.031 177.584 -0.117 0.000 1.086 38 A CA -0.894 51.011 52.037 -0.220 0.000 0.677 38 A CB 1.210 19.730 19.000 -0.801 0.000 1.278 38 A HN 0.703 nan 8.150 nan 0.000 0.414 39 E N 0.673 120.829 120.200 -0.074 0.000 2.249 39 E HA 0.391 4.741 4.350 -0.000 0.000 0.280 39 E C -0.642 175.923 176.600 -0.059 0.000 1.016 39 E CA -0.344 56.024 56.400 -0.054 0.000 0.830 39 E CB 1.446 31.118 29.700 -0.046 0.000 1.081 39 E HN 0.501 nan 8.360 nan 0.000 0.395 40 Q N 4.117 123.871 119.800 -0.075 0.000 2.341 40 Q HA 0.214 4.554 4.340 -0.000 0.000 0.268 40 Q C -0.663 175.229 176.000 -0.180 0.000 1.013 40 Q CA -0.711 54.982 55.803 -0.182 0.000 0.798 40 Q CB 0.974 29.666 28.738 -0.076 0.000 1.253 40 Q HN 0.566 nan 8.270 nan 0.000 0.457 50 E N -0.128 120.054 120.200 -0.031 0.000 2.415 50 E HA 0.357 4.707 4.350 -0.000 0.000 0.263 50 E C -0.527 176.049 176.600 -0.041 0.000 0.995 50 E CA 0.047 56.421 56.400 -0.043 0.000 0.915 50 E CB 0.138 29.814 29.700 -0.040 0.000 0.951 50 E HN 0.753 nan 8.360 nan 0.000 0.449 51 L N 1.875 123.064 121.223 -0.057 0.000 2.277 51 L HA 0.621 4.961 4.340 -0.000 0.000 0.254 51 L C -0.806 176.014 176.870 -0.083 0.000 1.044 51 L CA -0.933 53.861 54.840 -0.075 0.000 0.842 51 L CB 0.837 42.859 42.059 -0.061 0.000 1.422 51 L HN 0.374 nan 8.230 nan 0.000 0.422 52 I N 1.907 122.402 120.570 -0.125 0.000 2.359 52 I HA 0.606 4.776 4.170 -0.000 0.000 0.294 52 I C -0.085 176.013 176.117 -0.030 0.000 0.987 52 I CA -0.996 60.247 61.300 -0.094 0.000 1.225 52 I CB 1.783 39.670 38.000 -0.187 0.000 1.366 52 I HN 0.638 nan 8.210 nan 0.000 0.466 53 V N 4.835 124.761 119.914 0.020 0.000 3.096 53 V HA 0.789 4.909 4.120 -0.000 0.000 0.319 53 V C -0.784 175.370 176.094 0.099 0.000 1.103 53 V CA -0.791 61.548 62.300 0.066 0.000 1.016 53 V CB 2.077 33.968 31.823 0.113 0.000 1.090 53 V HN 0.624 nan 8.190 nan 0.000 0.449 54 L N 1.383 122.671 121.223 0.108 0.000 2.466 54 L HA 0.776 5.116 4.340 -0.000 0.000 0.258 54 L C -0.828 176.078 176.870 0.060 0.000 0.973 54 L CA -0.475 54.369 54.840 0.006 0.000 0.826 54 L CB 2.330 44.293 42.059 -0.159 0.000 1.372 54 L HN 0.855 nan 8.230 nan 0.000 0.409 55 R N 2.584 123.097 120.500 0.021 0.000 2.532 55 R HA 0.577 4.917 4.340 -0.000 0.000 0.297 55 R C -1.196 175.197 176.300 0.155 0.000 0.984 55 R CA -0.976 55.142 56.100 0.029 0.000 0.884 55 R CB 2.311 32.500 30.300 -0.184 0.000 1.182 55 R HN 0.693 nan 8.270 nan 0.000 0.442 56 R N 0.827 121.409 120.500 0.135 0.000 2.404 56 R HA 0.557 4.897 4.340 -0.000 0.000 0.291 56 R C -0.703 175.599 176.300 0.003 0.000 1.025 56 R CA -0.160 55.986 56.100 0.077 0.000 0.991 56 R CB 1.515 31.826 30.300 0.019 0.000 1.053 56 R HN 0.734 nan 8.270 nan 0.000 0.479 57 G N 2.575 111.187 108.800 -0.313 0.000 2.732 57 G HA2 0.323 4.283 3.960 -0.000 0.000 0.295 57 G HA3 0.323 4.283 3.960 -0.000 0.000 0.295 57 G C -1.627 172.929 174.900 -0.574 0.000 1.456 57 G CA -0.644 43.967 45.100 -0.814 0.000 1.050 57 G HN 0.608 nan 8.290 nan 0.000 0.525 58 D N 0.360 120.516 120.400 -0.408 0.000 2.177 58 D HA 0.281 4.921 4.640 -0.000 0.000 0.247 58 D C -0.589 175.597 176.300 -0.190 0.000 1.063 58 D CA -0.071 53.784 54.000 -0.241 0.000 0.867 58 D CB 1.579 42.272 40.800 -0.178 0.000 1.168 58 D HN 0.339 nan 8.370 nan 0.000 0.445 59 Y N 1.727 121.911 120.300 -0.193 0.000 2.531 59 Y HA 0.162 4.711 4.550 -0.000 0.000 0.347 59 Y C -0.230 175.612 175.900 -0.098 0.000 1.024 59 Y CA -0.731 57.295 58.100 -0.123 0.000 1.306 59 Y CB 0.385 38.830 38.460 -0.025 0.000 1.149 59 Y HN 0.230 nan 8.280 nan 0.000 0.527 60 D N 5.362 125.473 120.400 -0.482 0.000 2.441 60 D HA 0.350 4.990 4.640 -0.000 0.000 0.221 60 D C 0.912 176.825 176.300 -0.644 0.000 1.156 60 D CA 0.465 54.208 54.000 -0.429 0.000 0.896 60 D CB 0.892 41.520 40.800 -0.288 0.000 1.028 60 D HN 0.737 nan 8.370 nan 0.000 0.509 61 A N 5.295 127.773 122.820 -0.569 0.000 1.892 61 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 61 A C -0.249 177.212 177.584 -0.205 0.000 1.188 61 A CA 1.148 52.932 52.037 -0.423 0.000 0.631 61 A CB -1.444 17.478 19.000 -0.130 0.000 0.822 61 A HN 0.558 nan 8.150 nan 0.000 0.447 62 P HA -0.135 nan 4.420 nan 0.000 0.217 62 P C 1.324 178.599 177.300 -0.042 0.000 1.148 62 P CA 2.124 65.181 63.100 -0.071 0.000 0.828 62 P CB -0.132 31.521 31.700 -0.078 0.000 0.783 63 T N -5.670 108.801 114.554 -0.139 0.000 3.044 63 T HA 0.031 4.381 4.350 -0.000 0.000 0.260 63 T C 0.568 174.945 174.700 -0.538 0.000 1.019 63 T CA -0.197 61.762 62.100 -0.235 0.000 0.921 63 T CB -0.985 67.736 68.868 -0.245 0.000 1.053 63 T HN 0.328 nan 8.240 nan 0.000 0.533 64 H N 1.384 120.303 119.070 -0.251 0.000 2.527 64 H HA -0.134 4.422 4.556 -0.000 0.000 0.321 64 H C -1.223 174.074 175.328 -0.053 0.000 1.092 64 H CA 0.610 56.523 56.048 -0.225 0.000 1.118 64 H CB -2.519 27.252 29.762 0.014 0.000 1.536 64 H HN 0.481 nan 8.280 nan 0.000 0.407 65 Q N 0.113 119.770 119.800 -0.238 0.000 2.389 65 Q HA 0.564 4.904 4.340 -0.000 0.000 0.277 65 Q C -0.164 175.787 176.000 -0.082 0.000 1.082 65 Q CA -1.033 54.724 55.803 -0.076 0.000 0.810 65 Q CB 3.177 31.832 28.738 -0.139 0.000 1.374 65 Q HN 0.174 nan 8.270 nan 0.000 0.422 66 V N 2.224 122.132 119.914 -0.009 0.000 2.432 66 V HA 0.168 4.288 4.120 -0.000 0.000 0.275 66 V C -0.005 175.809 176.094 -0.466 0.000 1.043 66 V CA -0.334 61.784 62.300 -0.305 0.000 0.925 66 V CB 1.115 32.587 31.823 -0.586 0.000 0.985 66 V HN 0.594 nan 8.190 nan 0.000 0.466 67 Q N 4.479 124.011 119.800 -0.448 0.000 2.421 67 Q HA 0.249 4.588 4.340 -0.000 0.000 0.242 67 Q C -1.113 174.661 176.000 -0.377 0.000 1.024 67 Q CA -0.185 55.433 55.803 -0.308 0.000 0.891 67 Q CB 0.861 29.480 28.738 -0.197 0.000 1.222 67 Q HN 0.705 nan 8.270 nan 0.000 0.483 68 W N 2.557 123.776 121.300 -0.136 0.000 2.266 68 W HA 0.119 4.779 4.660 -0.000 0.000 0.317 68 W C 0.655 177.090 176.519 -0.141 0.000 1.310 68 W CA -0.304 56.938 57.345 -0.173 0.000 1.207 68 W CB 0.561 29.884 29.460 -0.228 0.000 1.199 68 W HN 0.436 nan 8.180 nan 0.000 0.544 69 Q N 2.041 121.905 119.800 0.107 0.000 2.171 69 Q HA 0.618 4.958 4.340 -0.000 0.000 0.217 69 Q C 0.145 176.163 176.000 0.030 0.000 0.995 69 Q CA -1.025 54.801 55.803 0.038 0.000 0.979 69 Q CB 0.705 29.449 28.738 0.011 0.000 1.152 69 Q HN 0.591 nan 8.270 nan 0.000 0.525 70 A N 0.966 123.791 122.820 0.009 0.000 2.498 70 A HA -0.024 4.296 4.320 -0.000 0.000 0.239 70 A C -0.041 177.543 177.584 0.000 0.000 1.068 70 A CA 0.024 52.058 52.037 -0.004 0.000 0.766 70 A CB 0.080 19.083 19.000 0.004 0.000 1.003 70 A HN 0.654 nan 8.150 nan 0.000 0.497 71 Q N 0.905 120.695 119.800 -0.017 0.000 2.364 71 Q HA 0.258 4.598 4.340 -0.000 0.000 0.267 71 Q C -0.597 175.439 176.000 0.059 0.000 0.999 71 Q CA 0.638 56.454 55.803 0.021 0.000 0.886 71 Q CB 0.348 29.104 28.738 0.030 0.000 1.243 71 Q HN 0.744 nan 8.270 nan 0.000 0.415 72 E N 1.885 122.134 120.200 0.082 0.000 2.356 72 E HA 0.353 4.703 4.350 -0.000 0.000 0.275 72 E C -1.460 175.190 176.600 0.084 0.000 0.904 72 E CA -0.896 55.552 56.400 0.080 0.000 0.757 72 E CB 2.268 32.018 29.700 0.083 0.000 1.232 72 E HN 0.393 nan 8.360 nan 0.000 0.442 73 V N 2.064 122.018 119.914 0.067 0.000 2.546 73 V HA 0.080 4.200 4.120 -0.000 0.000 0.284 73 V C 0.082 176.188 176.094 0.020 0.000 1.050 73 V CA -0.524 61.800 62.300 0.041 0.000 0.981 73 V CB 1.428 33.268 31.823 0.029 0.000 0.990 73 V HN 0.466 nan 8.190 nan 0.000 0.474 74 V N 5.680 125.570 119.914 -0.039 0.000 2.153 74 V HA 0.137 4.256 4.120 -0.000 0.000 0.250 74 V C 1.466 177.483 176.094 -0.129 0.000 1.334 74 V CA 0.563 62.788 62.300 -0.125 0.000 1.249 74 V CB -0.173 31.468 31.823 -0.303 0.000 1.371 74 V HN 1.086 nan 8.190 nan 0.000 0.498 75 A N 3.026 125.824 122.820 -0.036 0.000 1.986 75 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 75 A C 2.127 179.691 177.584 -0.034 0.000 1.171 75 A CA 1.460 53.484 52.037 -0.023 0.000 0.640 75 A CB -0.194 18.819 19.000 0.022 0.000 0.811 75 A HN 0.658 nan 8.150 nan 0.000 0.451 76 Q N -0.687 119.102 119.800 -0.018 0.000 2.230 76 Q HA 0.033 4.373 4.340 -0.000 0.000 0.202 76 Q C 1.388 177.354 176.000 -0.056 0.000 0.963 76 Q CA 0.996 56.806 55.803 0.013 0.000 0.866 76 Q CB -0.490 28.315 28.738 0.111 0.000 0.931 76 Q HN 0.606 nan 8.270 nan 0.000 0.452 77 A N 1.818 124.478 122.820 -0.267 0.000 3.051 77 A HA 0.258 4.578 4.320 -0.000 0.000 0.257 77 A C 0.120 177.317 177.584 -0.645 0.000 1.785 77 A CA 0.067 51.691 52.037 -0.688 0.000 1.420 77 A CB -0.613 17.758 19.000 -1.048 0.000 1.063 77 A HN 0.147 nan 8.150 nan 0.000 0.630 78 R N 0.517 120.943 120.500 -0.123 0.000 2.664 78 R HA 0.532 4.872 4.340 -0.000 0.000 0.260 78 R C -2.098 174.269 176.300 0.112 0.000 1.062 78 R CA -0.695 55.416 56.100 0.018 0.000 0.902 78 R CB 0.966 31.243 30.300 -0.038 0.000 1.258 78 R HN 0.374 nan 8.270 nan 0.000 0.465 79 L N 2.766 124.053 121.223 0.107 0.000 2.329 79 L HA 0.413 4.753 4.340 -0.000 0.000 0.279 79 L C -0.385 176.536 176.870 0.085 0.000 1.014 79 L CA -1.140 53.704 54.840 0.006 0.000 0.814 79 L CB 1.886 43.783 42.059 -0.269 0.000 1.257 79 L HN 0.623 nan 8.230 nan 0.000 0.424 80 D N 2.422 122.873 120.400 0.085 0.000 2.533 80 D HA 0.071 4.711 4.640 -0.000 0.000 0.236 80 D C 1.152 177.598 176.300 0.242 0.000 1.137 80 D CA 1.353 55.428 54.000 0.124 0.000 0.867 80 D CB 1.053 41.904 40.800 0.085 0.000 1.170 80 D HN 0.892 nan 8.370 nan 0.000 0.474 81 G N 1.875 110.774 108.800 0.166 0.000 2.155 81 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.257 81 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.257 81 G C 0.013 174.949 174.900 0.060 0.000 0.983 81 G CA 0.479 45.645 45.100 0.110 0.000 0.676 81 G HN 0.672 nan 8.290 nan 0.000 0.528 82 H N -0.888 118.201 119.070 0.031 0.000 2.679 82 H HA 0.736 5.292 4.556 -0.000 0.000 0.367 82 H C 0.482 175.828 175.328 0.030 0.000 1.162 82 H CA -0.753 55.317 56.048 0.037 0.000 1.181 82 H CB 0.985 30.784 29.762 0.061 0.000 1.693 82 H HN 0.286 nan 8.280 nan 0.000 0.538 83 R N 0.913 121.494 120.500 0.135 0.000 2.368 83 R HA 0.537 4.877 4.340 -0.000 0.000 0.302 83 R C -0.576 175.790 176.300 0.110 0.000 1.002 83 R CA -0.571 55.572 56.100 0.073 0.000 0.929 83 R CB 1.270 31.584 30.300 0.023 0.000 1.073 83 R HN 0.473 nan 8.270 nan 0.000 0.464 84 S N 3.891 119.631 115.700 0.066 0.000 2.489 84 S HA 0.618 5.088 4.470 -0.000 0.000 0.291 84 S C -0.111 174.518 174.600 0.048 0.000 1.151 84 S CA -0.771 57.479 58.200 0.084 0.000 1.082 84 S CB 1.096 64.236 63.200 -0.100 0.000 1.019 84 S HN 0.562 nan 8.310 nan 0.000 0.492 85 M N 0.731 120.398 119.600 0.112 0.000 2.813 85 M HA 0.622 5.102 4.480 -0.000 0.000 0.270 85 M C -1.354 175.013 176.300 0.112 0.000 1.267 85 M CA -0.917 54.426 55.300 0.071 0.000 0.822 85 M CB 0.911 33.539 32.600 0.046 0.000 1.671 85 M HN 0.383 nan 8.290 nan 0.000 0.468 86 N N 0.349 119.107 118.700 0.095 0.000 2.671 86 N HA -0.089 4.651 4.740 -0.000 0.000 0.261 86 N C -2.686 172.899 175.510 0.125 0.000 1.053 86 N CA 0.707 53.831 53.050 0.124 0.000 0.732 86 N CB -1.288 37.274 38.487 0.125 0.000 0.887 86 N HN 0.558 nan 8.380 nan 0.000 0.546 87 P HA 0.064 nan 4.420 nan 0.000 0.267 87 P C -0.176 177.144 177.300 0.033 0.000 1.205 87 P CA 0.147 63.234 63.100 -0.020 0.000 0.765 87 P CB 0.982 32.617 31.700 -0.109 0.000 0.828 88 C N 7.111 126.446 119.300 0.059 0.000 2.978 88 C HA 0.412 4.872 4.460 -0.000 0.000 0.274 88 C C -2.533 172.590 174.990 0.222 0.000 1.087 88 C CA -2.272 56.848 59.018 0.171 0.000 1.453 88 C CB 0.541 28.420 27.740 0.231 0.000 1.838 88 C HN 0.471 nan 8.230 nan 0.000 0.470 89 P HA 0.432 nan 4.420 nan 0.000 0.284 89 P C -1.226 176.324 177.300 0.416 0.000 1.258 89 P CA -0.332 62.902 63.100 0.224 0.000 0.824 89 P CB 1.877 33.690 31.700 0.189 0.000 1.038 90 L N 3.035 124.543 121.223 0.474 0.000 2.505 90 L HA 0.424 4.764 4.340 -0.000 0.000 0.259 90 L C -1.988 175.218 176.870 0.560 0.000 0.952 90 L CA -0.975 54.172 54.840 0.512 0.000 0.840 90 L CB 2.304 44.666 42.059 0.505 0.000 1.358 90 L HN 0.410 nan 8.230 nan 0.000 0.409 91 Y N 3.965 124.494 120.300 0.382 0.000 2.331 91 Y HA 0.395 4.945 4.550 -0.000 0.000 0.338 91 Y C -0.517 175.576 175.900 0.322 0.000 0.976 91 Y CA -0.470 57.828 58.100 0.330 0.000 1.137 91 Y CB 1.106 39.718 38.460 0.254 0.000 1.172 91 Y HN 0.597 nan 8.280 nan 0.000 0.478 92 D N 5.132 125.400 120.400 -0.220 0.000 2.380 92 D HA 0.263 4.903 4.640 -0.000 0.000 0.230 92 D C 0.616 176.533 176.300 -0.639 0.000 1.154 92 D CA 0.313 54.206 54.000 -0.178 0.000 0.859 92 D CB 1.662 42.573 40.800 0.186 0.000 1.045 92 D HN 0.863 nan 8.370 nan 0.000 0.495 93 A N 3.891 126.424 122.820 -0.479 0.000 2.067 93 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 93 A C 1.887 179.415 177.584 -0.094 0.000 1.158 93 A CA 1.195 53.059 52.037 -0.289 0.000 0.661 93 A CB -0.207 18.838 19.000 0.075 0.000 0.801 93 A HN 0.670 nan 8.150 nan 0.000 0.452 94 Q N -0.644 119.122 119.800 -0.057 0.000 2.137 94 Q HA -0.101 4.239 4.340 -0.000 0.000 0.198 94 Q C 1.988 177.923 176.000 -0.108 0.000 0.960 94 Q CA 1.888 57.669 55.803 -0.037 0.000 0.847 94 Q CB 0.029 28.782 28.738 0.025 0.000 0.915 94 Q HN 0.747 nan 8.270 nan 0.000 0.448 95 T N -5.526 108.931 114.554 -0.162 0.000 2.990 95 T HA 0.335 4.685 4.350 -0.000 0.000 0.249 95 T C 1.333 175.978 174.700 -0.092 0.000 1.039 95 T CA 0.560 62.574 62.100 -0.143 0.000 1.036 95 T CB 0.811 69.571 68.868 -0.179 0.000 0.994 95 T HN 0.416 nan 8.240 nan 0.000 0.489 96 G N 1.241 109.963 108.800 -0.129 0.000 2.176 96 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.253 96 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.253 96 G C 0.233 175.137 174.900 0.006 0.000 0.979 96 G CA 0.195 45.286 45.100 -0.016 0.000 0.641 96 G HN 0.747 nan 8.290 nan 0.000 0.530 97 T N 1.866 116.380 114.554 -0.067 0.000 2.919 97 T HA 0.537 4.886 4.350 -0.000 0.000 0.302 97 T C 0.659 175.367 174.700 0.013 0.000 1.031 97 T CA 0.129 62.172 62.100 -0.094 0.000 1.127 97 T CB 1.231 69.986 68.868 -0.188 0.000 0.952 97 T HN 0.344 nan 8.240 nan 0.000 0.540 98 L N 2.920 124.128 121.223 -0.024 0.000 2.322 98 L HA 0.585 4.925 4.340 -0.000 0.000 0.279 98 L C -0.721 176.205 176.870 0.093 0.000 1.036 98 L CA -0.780 54.177 54.840 0.195 0.000 0.807 98 L CB 0.975 43.176 42.059 0.236 0.000 1.226 98 L HN 0.572 nan 8.230 nan 0.000 0.433 99 F N 3.072 123.146 119.950 0.208 0.000 2.495 99 F HA 0.479 5.006 4.527 -0.000 0.000 0.327 99 F C -0.282 175.484 175.800 -0.056 0.000 1.103 99 F CA -0.707 57.286 58.000 -0.013 0.000 0.949 99 F CB 2.048 40.899 39.000 -0.248 0.000 1.142 99 F HN 0.194 nan 8.300 nan 0.000 0.457 100 L N 5.059 126.276 121.223 -0.011 0.000 2.353 100 L HA 0.564 4.904 4.340 -0.000 0.000 0.270 100 L C -1.533 175.270 176.870 -0.112 0.000 1.003 100 L CA -0.375 54.377 54.840 -0.148 0.000 0.862 100 L CB -0.031 41.767 42.059 -0.436 0.000 1.221 100 L HN 0.324 nan 8.230 nan 0.000 0.430 101 F N 5.551 125.592 119.950 0.151 0.000 2.375 101 F HA 0.688 5.215 4.527 -0.000 0.000 0.333 101 F C 0.189 176.081 175.800 0.152 0.000 1.104 101 F CA -0.051 57.999 58.000 0.083 0.000 1.149 101 F CB 1.064 40.059 39.000 -0.008 0.000 1.190 101 F HN 0.470 nan 8.300 nan 0.000 0.533 102 F N 0.417 120.436 119.950 0.115 0.000 2.741 102 F HA 0.719 5.246 4.527 -0.000 0.000 0.313 102 F C -2.066 173.752 175.800 0.031 0.000 1.153 102 F CA -1.535 56.484 58.000 0.031 0.000 0.931 102 F CB 0.883 39.856 39.000 -0.045 0.000 1.335 102 F HN 0.064 nan 8.300 nan 0.000 0.460 103 I N 2.138 122.809 120.570 0.169 0.000 2.460 103 I HA 0.716 4.886 4.170 -0.000 0.000 0.298 103 I C -0.327 175.878 176.117 0.147 0.000 0.989 103 I CA -1.034 60.275 61.300 0.013 0.000 1.173 103 I CB 1.282 39.246 38.000 -0.060 0.000 1.338 103 I HN 0.937 nan 8.210 nan 0.000 0.456 104 A N 7.578 130.437 122.820 0.065 0.000 2.343 104 A HA 0.860 5.180 4.320 -0.000 0.000 0.308 104 A C -0.798 176.920 177.584 0.223 0.000 1.092 104 A CA -0.442 51.703 52.037 0.180 0.000 0.751 104 A CB 1.143 20.216 19.000 0.121 0.000 1.203 104 A HN 0.602 nan 8.150 nan 0.000 0.452 105 I N 2.700 123.405 120.570 0.224 0.000 2.582 105 I HA 0.349 4.518 4.170 -0.000 0.000 0.292 105 I C -2.523 173.572 176.117 -0.037 0.000 1.066 105 I CA -2.507 58.870 61.300 0.128 0.000 1.053 105 I CB 2.831 40.841 38.000 0.017 0.000 1.241 105 I HN 0.372 nan 8.210 nan 0.000 0.421 106 P HA -0.036 nan 4.420 nan 0.000 0.263 106 P C 0.859 178.033 177.300 -0.209 0.000 1.175 106 P CA 0.346 63.158 63.100 -0.480 0.000 0.761 106 P CB 0.630 32.133 31.700 -0.330 0.000 0.794 107 G N 2.557 111.252 108.800 -0.175 0.000 2.509 107 G HA2 -0.118 3.841 3.960 -0.000 0.000 0.218 107 G HA3 -0.118 3.841 3.960 -0.000 0.000 0.218 107 G C 0.284 175.141 174.900 -0.073 0.000 1.124 107 G CA 0.518 45.566 45.100 -0.086 0.000 0.776 107 G HN 0.550 nan 8.290 nan 0.000 0.547 108 Q N -1.148 118.601 119.800 -0.084 0.000 2.495 108 Q HA 0.449 4.789 4.340 -0.000 0.000 0.287 108 Q C -1.142 174.822 176.000 -0.060 0.000 1.078 108 Q CA -1.045 54.722 55.803 -0.060 0.000 0.793 108 Q CB 2.749 31.459 28.738 -0.047 0.000 1.459 108 Q HN -0.064 nan 8.270 nan 0.000 0.422 109 V N 2.085 121.973 119.914 -0.043 0.000 2.557 109 V HA 0.019 4.138 4.120 -0.000 0.000 0.301 109 V C 0.691 176.767 176.094 -0.031 0.000 1.026 109 V CA 0.455 62.734 62.300 -0.035 0.000 1.137 109 V CB 0.236 32.043 31.823 -0.026 0.000 0.917 109 V HN 0.901 nan 8.190 nan 0.000 0.484 110 T N 1.322 115.861 114.554 -0.026 0.000 2.847 110 T HA 0.303 4.653 4.350 -0.000 0.000 0.279 110 T C 0.981 175.679 174.700 -0.004 0.000 0.984 110 T CA -0.567 61.524 62.100 -0.016 0.000 0.988 110 T CB 1.140 70.003 68.868 -0.007 0.000 1.040 110 T HN 0.684 nan 8.240 nan 0.000 0.528 111 E N 0.003 120.204 120.200 0.002 0.000 2.118 111 E HA -0.247 4.103 4.350 -0.000 0.000 0.195 111 E C 2.186 178.792 176.600 0.011 0.000 0.992 111 E CA 1.282 57.686 56.400 0.006 0.000 0.804 111 E CB -0.109 29.596 29.700 0.009 0.000 0.741 111 E HN 0.830 nan 8.360 nan 0.000 0.458 112 Q N 1.110 120.921 119.800 0.018 0.000 2.084 112 Q HA -0.245 4.095 4.340 -0.000 0.000 0.202 112 Q C 2.055 178.067 176.000 0.019 0.000 0.978 112 Q CA 1.520 57.338 55.803 0.025 0.000 0.844 112 Q CB 0.051 28.812 28.738 0.040 0.000 0.898 112 Q HN 0.320 nan 8.270 nan 0.000 0.426 113 Q N -0.621 119.187 119.800 0.014 0.000 2.224 113 Q HA -0.142 4.198 4.340 -0.000 0.000 0.203 113 Q C 2.157 178.159 176.000 0.002 0.000 0.970 113 Q CA 0.868 56.675 55.803 0.007 0.000 0.865 113 Q CB 0.143 28.880 28.738 -0.001 0.000 0.922 113 Q HN 0.413 nan 8.270 nan 0.000 0.445 114 Q N 0.232 120.033 119.800 0.002 0.000 2.170 114 Q HA -0.095 4.244 4.340 -0.000 0.000 0.203 114 Q C 1.992 177.994 176.000 0.002 0.000 0.976 114 Q CA 1.109 56.911 55.803 -0.000 0.000 0.858 114 Q CB 0.076 28.814 28.738 -0.001 0.000 0.907 114 Q HN 0.448 nan 8.270 nan 0.000 0.433 115 L N -0.246 120.981 121.223 0.006 0.000 2.253 115 L HA -0.002 4.338 4.340 -0.000 0.000 0.205 115 L C 0.507 177.383 176.870 0.009 0.000 1.078 115 L CA 0.564 55.409 54.840 0.008 0.000 0.805 115 L CB 0.205 42.270 42.059 0.011 0.000 0.963 115 L HN -0.005 nan 8.230 nan 0.000 0.459 116 Q N -0.151 119.656 119.800 0.012 0.000 2.464 116 Q HA 0.226 4.566 4.340 -0.000 0.000 0.256 116 Q C 0.595 176.602 176.000 0.011 0.000 1.020 116 Q CA -0.100 55.711 55.803 0.013 0.000 0.716 116 Q CB 1.560 30.309 28.738 0.019 0.000 1.230 116 Q HN 0.084 nan 8.270 nan 0.000 0.494 117 T N 0.883 115.440 114.554 0.006 0.000 2.721 117 T HA -0.181 4.169 4.350 -0.000 0.000 0.268 117 T C 1.160 175.860 174.700 -0.000 0.000 1.038 117 T CA 1.486 63.586 62.100 -0.000 0.000 1.145 117 T CB 0.110 68.976 68.868 -0.004 0.000 0.858 117 T HN 0.391 nan 8.240 nan 0.000 0.459 118 R N 0.939 121.443 120.500 0.008 0.000 2.426 118 R HA 0.474 4.814 4.340 -0.000 0.000 0.263 118 R C 0.483 176.795 176.300 0.019 0.000 0.961 118 R CA -0.400 55.707 56.100 0.012 0.000 1.086 118 R CB 0.237 30.551 30.300 0.024 0.000 1.186 118 R HN 0.240 nan 8.270 nan 0.000 0.537 119 A N 1.719 124.550 122.820 0.019 0.000 2.511 119 A HA 0.001 4.321 4.320 -0.000 0.000 0.242 119 A C 0.020 177.616 177.584 0.020 0.000 1.069 119 A CA -0.233 51.819 52.037 0.025 0.000 0.763 119 A CB 0.098 19.120 19.000 0.036 0.000 1.001 119 A HN 0.195 nan 8.150 nan 0.000 0.498 120 N N 1.460 120.151 118.700 -0.014 0.000 2.430 120 N HA 0.260 5.000 4.740 -0.000 0.000 0.265 120 N C 0.370 175.936 175.510 0.094 0.000 1.100 120 N CA 0.290 53.295 53.050 -0.075 0.000 0.961 120 N CB 1.134 39.330 38.487 -0.484 0.000 1.075 120 N HN 0.679 nan 8.380 nan 0.000 0.478 121 V N 0.181 120.183 119.914 0.147 0.000 3.252 121 V HA 0.344 4.464 4.120 -0.000 0.000 0.320 121 V C 0.391 176.640 176.094 0.258 0.000 1.459 121 V CA -0.370 62.066 62.300 0.225 0.000 1.095 121 V CB -0.307 31.585 31.823 0.115 0.000 0.997 121 V HN 0.398 nan 8.190 nan 0.000 0.469 122 T N 3.497 118.200 114.554 0.249 0.000 2.869 122 T HA 0.527 4.877 4.350 -0.000 0.000 0.295 122 T C -0.071 174.821 174.700 0.321 0.000 0.987 122 T CA -0.127 62.045 62.100 0.121 0.000 1.109 122 T CB 0.953 69.678 68.868 -0.238 0.000 0.932 122 T HN 0.363 nan 8.240 nan 0.000 0.518 123 R N 1.904 122.499 120.500 0.158 0.000 2.637 123 R HA 0.474 4.814 4.340 -0.000 0.000 0.291 123 R C -1.028 175.335 176.300 0.105 0.000 0.963 123 R CA -1.043 55.167 56.100 0.185 0.000 0.901 123 R CB 1.999 32.316 30.300 0.029 0.000 1.160 123 R HN 0.389 nan 8.270 nan 0.000 0.457 124 L N 2.598 123.937 121.223 0.194 0.000 2.264 124 L HA 0.418 4.758 4.340 -0.000 0.000 0.289 124 L C -0.955 175.786 176.870 -0.215 0.000 1.044 124 L CA -0.081 54.783 54.840 0.040 0.000 0.807 124 L CB 0.803 42.898 42.059 0.059 0.000 1.192 124 L HN 0.645 nan 8.230 nan 0.000 0.425 125 C N 3.535 122.550 119.300 -0.474 0.000 3.108 125 C HA 0.904 5.364 4.460 -0.000 0.000 0.321 125 C C -0.570 174.083 174.990 -0.562 0.000 1.357 125 C CA -0.688 57.934 59.018 -0.659 0.000 1.562 125 C CB 2.030 29.043 27.740 -1.211 0.000 2.003 125 C HN 0.894 nan 8.230 nan 0.000 0.460 126 Q N 0.125 119.758 119.800 -0.279 0.000 2.472 126 Q HA 0.800 5.140 4.340 -0.000 0.000 0.281 126 Q C -1.601 174.477 176.000 0.130 0.000 0.997 126 Q CA -0.679 55.100 55.803 -0.041 0.000 0.828 126 Q CB 1.733 30.452 28.738 -0.031 0.000 1.443 126 Q HN 0.824 nan 8.270 nan 0.000 0.390 127 V N -1.493 118.525 119.914 0.173 0.000 2.876 127 V HA 0.939 5.059 4.120 -0.000 0.000 0.312 127 V C -0.464 175.774 176.094 0.239 0.000 1.085 127 V CA -0.087 62.345 62.300 0.221 0.000 0.945 127 V CB 1.532 33.497 31.823 0.237 0.000 1.017 127 V HN 1.060 nan 8.190 nan 0.000 0.428 128 T N -0.289 114.387 114.554 0.203 0.000 2.916 128 T HA 0.807 5.156 4.350 -0.000 0.000 0.292 128 T C -0.362 174.310 174.700 -0.048 0.000 1.055 128 T CA -0.521 61.582 62.100 0.005 0.000 1.009 128 T CB 1.762 70.422 68.868 -0.346 0.000 1.118 128 T HN 1.328 nan 8.240 nan 0.000 0.497 129 S N -0.071 115.430 115.700 -0.332 0.000 2.547 129 S HA 0.576 5.046 4.470 -0.000 0.000 0.281 129 S C 0.546 174.906 174.600 -0.399 0.000 1.118 129 S CA -0.242 57.612 58.200 -0.577 0.000 0.947 129 S CB 1.397 63.835 63.200 -1.270 0.000 1.053 129 S HN 1.085 nan 8.310 nan 0.000 0.482 130 T N -0.195 114.151 114.554 -0.347 0.000 3.085 130 T HA 0.243 4.593 4.350 -0.000 0.000 0.264 130 T C -0.091 174.384 174.700 -0.375 0.000 1.019 130 T CA -0.050 61.875 62.100 -0.293 0.000 0.910 130 T CB -0.279 68.460 68.868 -0.215 0.000 1.059 130 T HN 0.603 nan 8.240 nan 0.000 0.542 131 D N 0.676 120.819 120.400 -0.428 0.000 2.891 131 D HA 0.109 4.749 4.640 -0.000 0.000 0.332 131 D C 0.088 176.129 176.300 -0.431 0.000 1.369 131 D CA -0.829 52.883 54.000 -0.479 0.000 0.827 131 D CB -0.910 39.724 40.800 -0.276 0.000 1.141 131 D HN 0.335 nan 8.370 nan 0.000 0.464 132 H N -0.116 118.863 119.070 -0.151 0.000 2.899 132 H HA -0.139 4.417 4.556 -0.000 0.000 0.282 132 H C 1.409 176.649 175.328 -0.146 0.000 1.198 132 H CA 1.031 57.013 56.048 -0.109 0.000 1.140 132 H CB -1.784 27.931 29.762 -0.080 0.000 1.317 132 H HN 0.740 nan 8.280 nan 0.000 0.375 133 G N -0.446 108.169 108.800 -0.309 0.000 2.157 133 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.248 133 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.248 133 G C 1.306 176.052 174.900 -0.256 0.000 0.979 133 G CA 0.582 45.423 45.100 -0.431 0.000 0.650 133 G HN 0.551 nan 8.290 nan 0.000 0.529 134 R N 0.128 120.490 120.500 -0.230 0.000 2.090 134 R HA 0.131 4.471 4.340 -0.000 0.000 0.228 134 R C 1.410 177.643 176.300 -0.113 0.000 1.110 134 R CA 1.658 57.705 56.100 -0.090 0.000 0.973 134 R CB -0.085 30.178 30.300 -0.062 0.000 0.869 134 R HN 0.680 nan 8.270 nan 0.000 0.440 135 T N -2.630 111.736 114.554 -0.313 0.000 2.906 135 T HA 0.490 4.840 4.350 -0.000 0.000 0.295 135 T C -1.264 173.151 174.700 -0.476 0.000 1.061 135 T CA -0.942 61.036 62.100 -0.204 0.000 1.000 135 T CB 1.702 70.509 68.868 -0.102 0.000 1.103 135 T HN 0.119 nan 8.240 nan 0.000 0.486 136 W N 1.169 122.476 121.300 0.011 0.000 2.781 136 W HA 0.647 5.307 4.660 -0.000 0.000 0.345 136 W C 0.665 177.182 176.519 -0.004 0.000 1.085 136 W CA -0.774 56.575 57.345 0.005 0.000 1.198 136 W CB 1.761 31.237 29.460 0.027 0.000 1.423 136 W HN 0.991 nan 8.180 nan 0.000 0.532 137 S N 0.482 116.308 115.700 0.210 0.000 2.608 137 S HA 0.437 4.907 4.470 -0.000 0.000 0.261 137 S C 0.266 174.953 174.600 0.144 0.000 1.314 137 S CA -0.705 57.566 58.200 0.118 0.000 0.992 137 S CB 0.607 63.848 63.200 0.069 0.000 0.935 137 S HN 0.362 nan 8.310 nan 0.000 0.564 138 S N 2.987 118.744 115.700 0.096 0.000 2.579 138 S HA 0.317 4.787 4.470 -0.000 0.000 0.275 138 S C -2.112 172.553 174.600 0.109 0.000 1.345 138 S CA -0.746 57.509 58.200 0.092 0.000 1.031 138 S CB -0.142 63.096 63.200 0.063 0.000 0.892 138 S HN 0.730 nan 8.310 nan 0.000 0.529 139 P HA 0.140 nan 4.420 nan 0.000 0.271 139 P C -0.844 176.502 177.300 0.077 0.000 1.216 139 P CA -0.268 62.921 63.100 0.149 0.000 0.776 139 P CB 0.516 32.345 31.700 0.216 0.000 0.881 140 R N 2.262 122.794 120.500 0.052 0.000 2.393 140 R HA 0.234 4.574 4.340 -0.000 0.000 0.315 140 R C -0.688 175.591 176.300 -0.036 0.000 0.952 140 R CA -0.579 55.535 56.100 0.024 0.000 0.842 140 R CB 0.818 31.156 30.300 0.063 0.000 1.163 140 R HN 0.379 nan 8.270 nan 0.000 0.450 141 D N 5.712 126.083 120.400 -0.049 0.000 2.339 141 D HA 0.088 4.728 4.640 -0.000 0.000 0.241 141 D C 0.683 176.937 176.300 -0.078 0.000 1.183 141 D CA -0.137 53.808 54.000 -0.092 0.000 0.859 141 D CB 1.061 41.809 40.800 -0.087 0.000 1.067 141 D HN 0.623 nan 8.370 nan 0.000 0.484 142 L N 2.856 124.012 121.223 -0.113 0.000 2.592 142 L HA 0.015 4.354 4.340 -0.000 0.000 0.227 142 L C 2.197 178.957 176.870 -0.183 0.000 1.127 142 L CA -0.061 54.698 54.840 -0.135 0.000 0.884 142 L CB -0.124 41.791 42.059 -0.241 0.000 1.065 142 L HN 0.308 nan 8.230 nan 0.000 0.457 143 T N 0.075 114.539 114.554 -0.149 0.000 2.565 143 T HA -0.247 4.103 4.350 -0.000 0.000 0.265 143 T C 1.351 175.930 174.700 -0.202 0.000 1.082 143 T CA 2.129 64.137 62.100 -0.152 0.000 1.173 143 T CB -0.237 68.546 68.868 -0.142 0.000 0.864 143 T HN 0.346 nan 8.240 nan 0.000 0.425 144 D N 1.286 121.570 120.400 -0.195 0.000 2.104 144 D HA -0.014 4.625 4.640 -0.000 0.000 0.194 144 D C 2.375 178.613 176.300 -0.102 0.000 0.994 144 D CA 1.362 55.260 54.000 -0.170 0.000 0.830 144 D CB -0.657 40.060 40.800 -0.137 0.000 0.959 144 D HN 0.451 nan 8.370 nan 0.000 0.452 145 A N 0.576 123.359 122.820 -0.063 0.000 1.930 145 A HA 0.063 4.383 4.320 -0.000 0.000 0.217 145 A C 2.206 179.807 177.584 0.028 0.000 1.175 145 A CA 2.067 54.108 52.037 0.006 0.000 0.627 145 A CB -0.396 18.645 19.000 0.069 0.000 0.815 145 A HN 0.253 nan 8.150 nan 0.000 0.443 146 A N -0.938 121.837 122.820 -0.075 0.000 1.956 146 A HA 0.315 4.635 4.320 -0.000 0.000 0.212 146 A C 1.963 179.588 177.584 0.068 0.000 1.188 146 A CA 1.005 52.988 52.037 -0.091 0.000 0.675 146 A CB -0.202 18.400 19.000 -0.663 0.000 0.845 146 A HN 0.416 nan 8.150 nan 0.000 0.455 147 I N -1.612 118.940 120.570 -0.030 0.000 2.927 147 I HA 0.242 4.411 4.170 -0.000 0.000 0.268 147 I C 1.696 177.723 176.117 -0.150 0.000 1.153 147 I CA 0.709 61.976 61.300 -0.055 0.000 1.459 147 I CB -0.333 37.552 38.000 -0.190 0.000 1.149 147 I HN 0.479 nan 8.210 nan 0.000 0.443 148 G N 2.418 111.139 108.800 -0.131 0.000 2.552 148 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.265 148 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.265 148 G C -1.591 173.221 174.900 -0.146 0.000 1.234 148 G CA 0.141 45.168 45.100 -0.122 0.000 0.944 148 G HN 0.222 nan 8.290 nan 0.000 0.568 149 P HA 0.090 nan 4.420 nan 0.000 0.231 149 P C 1.514 178.706 177.300 -0.180 0.000 1.158 149 P CA 2.064 65.094 63.100 -0.116 0.000 0.763 149 P CB -0.266 31.384 31.700 -0.083 0.000 0.805 150 A N -1.122 121.517 122.820 -0.302 0.000 2.119 150 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 150 A C 2.106 179.178 177.584 -0.854 0.000 1.152 150 A CA 0.336 52.071 52.037 -0.502 0.000 0.708 150 A CB -1.503 17.168 19.000 -0.549 0.000 0.805 150 A HN 0.060 nan 8.150 nan 0.000 0.460 151 Y N 1.997 121.828 120.300 -0.782 0.000 2.062 151 Y HA -0.368 4.182 4.550 -0.000 0.000 0.276 151 Y C 2.521 178.200 175.900 -0.368 0.000 1.189 151 Y CA 2.651 60.363 58.100 -0.647 0.000 1.130 151 Y CB -0.185 38.079 38.460 -0.327 0.000 0.959 151 Y HN 0.498 nan 8.280 nan 0.000 0.499 152 R N 0.219 120.620 120.500 -0.164 0.000 2.285 152 R HA -0.088 4.252 4.340 -0.000 0.000 0.213 152 R C 1.215 177.449 176.300 -0.109 0.000 1.068 152 R CA 1.595 57.632 56.100 -0.104 0.000 1.004 152 R CB -0.618 29.678 30.300 -0.006 0.000 0.873 152 R HN 0.473 nan 8.270 nan 0.000 0.467 153 E N -0.114 119.974 120.200 -0.187 0.000 2.489 153 E HA 0.023 4.373 4.350 -0.000 0.000 0.193 153 E C -0.451 176.299 176.600 0.250 0.000 1.057 153 E CA 0.030 56.424 56.400 -0.010 0.000 0.866 153 E CB 0.190 29.887 29.700 -0.005 0.000 0.916 153 E HN 0.262 nan 8.360 nan 0.000 0.500 154 W N 0.155 121.434 121.300 -0.035 0.000 2.719 154 W HA 0.206 4.866 4.660 -0.000 0.000 0.352 154 W C 1.306 177.817 176.519 -0.014 0.000 1.085 154 W CA -1.446 55.905 57.345 0.010 0.000 1.187 154 W CB 0.718 30.211 29.460 0.054 0.000 1.417 154 W HN -0.165 nan 8.180 nan 0.000 0.557 155 S N -0.790 115.083 115.700 0.289 0.000 2.456 155 S HA 0.190 4.660 4.470 -0.000 0.000 0.224 155 S C 0.585 175.269 174.600 0.141 0.000 1.035 155 S CA 0.975 59.262 58.200 0.145 0.000 0.940 155 S CB 0.431 63.684 63.200 0.088 0.000 0.799 155 S HN 0.559 nan 8.310 nan 0.000 0.508 156 T N -0.065 114.653 114.554 0.273 0.000 2.663 156 T HA 0.541 4.891 4.350 -0.000 0.000 0.305 156 T C -2.207 172.752 174.700 0.432 0.000 1.660 156 T CA -0.626 61.620 62.100 0.244 0.000 0.976 156 T CB 0.678 69.570 68.868 0.039 0.000 1.705 156 T HN 0.687 nan 8.240 nan 0.000 0.494 157 F N -0.555 119.485 119.950 0.149 0.000 2.817 157 F HA 0.938 5.465 4.527 -0.000 0.000 0.317 157 F C -1.237 174.464 175.800 -0.165 0.000 1.168 157 F CA -0.678 57.302 58.000 -0.033 0.000 0.911 157 F CB 0.812 39.893 39.000 0.136 0.000 1.337 157 F HN 0.966 nan 8.300 nan 0.000 0.464 158 A N 0.446 123.058 122.820 -0.345 0.000 2.610 158 A HA 0.822 5.142 4.320 -0.000 0.000 0.291 158 A C -1.548 175.953 177.584 -0.138 0.000 1.086 158 A CA -0.309 51.527 52.037 -0.336 0.000 0.677 158 A CB 1.343 20.082 19.000 -0.435 0.000 1.278 158 A HN 2.041 nan 8.150 nan 0.000 0.414 159 V N -0.975 118.943 119.914 0.006 0.000 2.815 159 V HA 0.936 5.056 4.120 -0.000 0.000 0.314 159 V C 0.940 177.082 176.094 0.080 0.000 1.064 159 V CA 0.270 62.593 62.300 0.040 0.000 0.952 159 V CB 0.495 32.350 31.823 0.054 0.000 1.020 159 V HN 2.916 nan 8.190 nan 0.000 0.439 160 G N 3.278 112.116 108.800 0.063 0.000 2.611 160 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.301 160 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.301 160 G C -1.986 173.008 174.900 0.156 0.000 1.233 160 G CA 0.262 45.414 45.100 0.087 0.000 0.993 160 G HN 1.028 nan 8.290 nan 0.000 0.553 161 P HA 0.494 nan 4.420 nan 0.000 0.275 161 P C 0.606 177.996 177.300 0.149 0.000 1.266 161 P CA 1.630 64.837 63.100 0.177 0.000 0.793 161 P CB 0.722 32.570 31.700 0.247 0.000 1.074 162 G N -0.615 108.294 108.800 0.180 0.000 2.661 162 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.685 162 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.685 162 G C -0.327 174.685 174.900 0.187 0.000 1.298 162 G CA -0.388 44.845 45.100 0.222 0.000 0.855 162 G HN 1.077 nan 8.290 nan 0.000 0.560 163 H N -0.647 118.569 119.070 0.244 0.000 2.948 163 H HA 0.410 4.966 4.556 -0.000 0.000 0.351 163 H C 0.945 176.417 175.328 0.240 0.000 1.079 163 H CA 0.714 56.921 56.048 0.266 0.000 1.407 163 H CB -0.154 29.784 29.762 0.294 0.000 1.373 163 H HN 0.809 nan 8.280 nan 0.000 0.605 164 C N 2.877 122.304 119.300 0.213 0.000 2.589 164 C HA 0.608 5.068 4.460 -0.000 0.000 0.409 164 C C 0.543 175.684 174.990 0.251 0.000 1.851 164 C CA -0.899 58.199 59.018 0.134 0.000 1.823 164 C CB 0.528 28.373 27.740 0.175 0.000 1.985 164 C HN 0.799 nan 8.230 nan 0.000 0.472 165 L N 0.818 122.166 121.223 0.209 0.000 2.370 165 L HA 0.582 4.922 4.340 -0.000 0.000 0.266 165 L C -0.706 176.284 176.870 0.200 0.000 1.002 165 L CA -0.045 54.936 54.840 0.235 0.000 0.818 165 L CB 1.573 43.748 42.059 0.192 0.000 1.325 165 L HN 0.832 nan 8.230 nan 0.000 0.418 166 Q N 3.687 123.611 119.800 0.207 0.000 2.330 166 Q HA 0.576 4.916 4.340 -0.000 0.000 0.269 166 Q C -1.604 174.482 176.000 0.144 0.000 1.022 166 Q CA -0.644 55.254 55.803 0.158 0.000 0.796 166 Q CB 1.524 30.364 28.738 0.170 0.000 1.271 166 Q HN 0.787 nan 8.270 nan 0.000 0.450 167 L N 2.902 124.190 121.223 0.108 0.000 2.466 167 L HA 0.297 4.637 4.340 -0.000 0.000 0.257 167 L C 0.276 177.201 176.870 0.091 0.000 1.189 167 L CA -0.385 54.514 54.840 0.098 0.000 0.813 167 L CB 0.477 42.584 42.059 0.080 0.000 1.118 167 L HN 0.748 nan 8.230 nan 0.000 0.471 168 N N -0.178 118.572 118.700 0.082 0.000 2.376 168 N HA 0.020 4.760 4.740 -0.000 0.000 0.249 168 N C -0.760 174.781 175.510 0.052 0.000 1.140 168 N CA -0.290 52.804 53.050 0.073 0.000 0.870 168 N CB -0.050 38.482 38.487 0.074 0.000 1.124 168 N HN 0.535 nan 8.380 nan 0.000 0.505 169 D N -1.066 119.361 120.400 0.045 0.000 2.411 169 D HA 0.079 4.719 4.640 -0.000 0.000 0.251 169 D C 1.377 177.687 176.300 0.017 0.000 1.201 169 D CA -0.540 53.474 54.000 0.023 0.000 0.996 169 D CB 0.932 41.742 40.800 0.016 0.000 1.101 169 D HN -0.197 nan 8.370 nan 0.000 0.504 170 R N 0.405 120.903 120.500 -0.004 0.000 2.103 170 R HA -0.113 4.227 4.340 -0.000 0.000 0.242 170 R C 1.887 178.187 176.300 0.000 0.000 1.142 170 R CA 2.233 58.331 56.100 -0.004 0.000 0.960 170 R CB -1.135 29.151 30.300 -0.024 0.000 0.858 170 R HN 0.571 nan 8.270 nan 0.000 0.439 171 A N -0.153 122.652 122.820 -0.026 0.000 2.167 171 A HA 0.107 4.427 4.320 -0.000 0.000 0.214 171 A C 0.013 177.571 177.584 -0.043 0.000 1.151 171 A CA 0.401 52.414 52.037 -0.039 0.000 0.735 171 A CB -0.013 18.940 19.000 -0.077 0.000 0.802 171 A HN 0.313 nan 8.150 nan 0.000 0.467 172 R N 0.119 120.624 120.500 0.009 0.000 3.264 172 R HA -0.110 4.230 4.340 -0.000 0.000 0.251 172 R C -0.293 175.985 176.300 -0.036 0.000 0.971 172 R CA 0.847 56.969 56.100 0.035 0.000 0.658 172 R CB -3.150 27.221 30.300 0.118 0.000 1.095 172 R HN 0.517 nan 8.270 nan 0.000 0.443 173 S N 0.616 116.309 115.700 -0.012 0.000 2.566 173 S HA 0.249 4.719 4.470 -0.000 0.000 0.280 173 S C 1.143 175.714 174.600 -0.048 0.000 1.343 173 S CA -0.285 57.890 58.200 -0.042 0.000 1.036 173 S CB 0.912 64.162 63.200 0.083 0.000 0.866 173 S HN 0.280 nan 8.310 nan 0.000 0.526 174 L N 2.463 123.612 121.223 -0.124 0.000 2.295 174 L HA 0.591 4.931 4.340 -0.000 0.000 0.285 174 L C -0.801 176.106 176.870 0.062 0.000 1.035 174 L CA -0.794 54.030 54.840 -0.027 0.000 0.806 174 L CB 1.182 43.190 42.059 -0.085 0.000 1.214 174 L HN 0.299 nan 8.230 nan 0.000 0.426 175 V N 4.027 124.013 119.914 0.120 0.000 2.483 175 V HA 0.377 4.497 4.120 -0.000 0.000 0.297 175 V C -0.178 175.978 176.094 0.102 0.000 1.027 175 V CA -0.607 61.774 62.300 0.135 0.000 0.855 175 V CB 2.296 34.187 31.823 0.113 0.000 0.995 175 V HN 0.441 nan 8.190 nan 0.000 0.424 176 V N 7.613 127.567 119.914 0.068 0.000 2.357 176 V HA 0.413 4.533 4.120 -0.000 0.000 0.284 176 V C -2.092 173.954 176.094 -0.079 0.000 1.018 176 V CA -1.810 60.444 62.300 -0.077 0.000 0.841 176 V CB 2.002 33.600 31.823 -0.375 0.000 0.991 176 V HN 0.713 nan 8.190 nan 0.000 0.437 177 P HA 0.508 nan 4.420 nan 0.000 0.275 177 P C -0.598 176.554 177.300 -0.246 0.000 1.227 177 P CA 0.122 63.124 63.100 -0.164 0.000 0.781 177 P CB 1.892 33.534 31.700 -0.097 0.000 0.906 178 A N 2.777 125.305 122.820 -0.487 0.000 2.557 178 A HA 0.839 5.159 4.320 -0.000 0.000 0.292 178 A C -1.855 175.411 177.584 -0.530 0.000 1.139 178 A CA -0.613 51.080 52.037 -0.574 0.000 0.665 178 A CB 1.229 19.645 19.000 -0.972 0.000 1.285 178 A HN 0.661 nan 8.150 nan 0.000 0.433 179 Y N -2.988 117.076 120.300 -0.393 0.000 2.558 179 Y HA 0.822 5.372 4.550 -0.000 0.000 0.333 179 Y C -0.643 175.281 175.900 0.039 0.000 1.125 179 Y CA -0.683 57.341 58.100 -0.128 0.000 1.039 179 Y CB 0.943 39.288 38.460 -0.191 0.000 1.331 179 Y HN 1.605 nan 8.280 nan 0.000 0.456 180 A N 1.888 124.717 122.820 0.015 0.000 2.435 180 A HA 0.724 5.043 4.320 -0.000 0.000 0.304 180 A C -2.350 174.989 177.584 -0.408 0.000 1.064 180 A CA -0.910 50.912 52.037 -0.358 0.000 0.727 180 A CB 0.956 19.146 19.000 -1.351 0.000 1.284 180 A HN 0.736 nan 8.150 nan 0.000 0.415 181 Y N 1.691 121.908 120.300 -0.139 0.000 2.477 181 Y HA 0.348 4.898 4.550 -0.000 0.000 0.349 181 Y C 0.890 176.735 175.900 -0.092 0.000 0.977 181 Y CA 0.295 58.358 58.100 -0.062 0.000 1.214 181 Y CB 0.794 39.278 38.460 0.040 0.000 1.124 181 Y HN 0.561 nan 8.280 nan 0.000 0.521 182 R N 3.315 123.769 120.500 -0.076 0.000 2.265 182 R HA 0.235 4.575 4.340 -0.000 0.000 0.314 182 R C -0.290 176.076 176.300 0.111 0.000 1.053 182 R CA -0.624 55.472 56.100 -0.006 0.000 0.931 182 R CB 0.727 30.903 30.300 -0.207 0.000 1.024 182 R HN 0.525 nan 8.270 nan 0.000 0.457 183 K N 4.009 124.510 120.400 0.168 0.000 2.307 183 K HA 0.083 4.402 4.320 -0.000 0.000 0.240 183 K C 0.700 177.361 176.600 0.102 0.000 1.214 183 K CA -0.013 56.356 56.287 0.136 0.000 1.149 183 K CB 0.257 32.831 32.500 0.122 0.000 1.668 183 K HN 0.491 nan 8.250 nan 0.000 0.314 184 L N 0.465 121.754 121.223 0.109 0.000 2.249 184 L HA 0.006 4.346 4.340 -0.000 0.000 0.207 184 L C 0.165 176.944 176.870 -0.151 0.000 1.090 184 L CA 0.685 55.517 54.840 -0.012 0.000 0.802 184 L CB -0.050 41.991 42.059 -0.030 0.000 0.947 184 L HN 0.463 nan 8.230 nan 0.000 0.453 185 H N -0.533 118.551 119.070 0.022 0.000 2.505 185 H HA 0.202 4.758 4.556 -0.000 0.000 0.338 185 H C -1.567 173.773 175.328 0.020 0.000 1.057 185 H CA -2.111 53.948 56.048 0.018 0.000 1.202 185 H CB 0.780 30.550 29.762 0.014 0.000 1.466 185 H HN -0.197 nan 8.280 nan 0.000 0.499 186 P HA -0.126 nan 4.420 nan 0.000 0.218 186 P C 0.803 178.142 177.300 0.066 0.000 1.149 186 P CA 1.378 64.519 63.100 0.068 0.000 0.817 186 P CB 0.816 32.542 31.700 0.043 0.000 0.785 187 I N -1.312 119.305 120.570 0.078 0.000 2.947 187 I HA 0.021 4.190 4.170 -0.000 0.000 0.263 187 I C 1.214 177.355 176.117 0.039 0.000 1.130 187 I CA 0.101 61.431 61.300 0.049 0.000 1.448 187 I CB -0.416 37.607 38.000 0.039 0.000 1.222 187 I HN -0.127 nan 8.210 nan 0.000 0.453 188 Q N 3.027 122.855 119.800 0.048 0.000 2.392 188 Q HA 0.120 4.460 4.340 -0.000 0.000 0.262 188 Q C -0.021 175.980 176.000 0.002 0.000 1.003 188 Q CA -0.306 55.485 55.803 -0.020 0.000 0.888 188 Q CB 0.522 29.166 28.738 -0.157 0.000 1.260 188 Q HN 0.317 nan 8.270 nan 0.000 0.435 189 R N 1.640 122.130 120.500 -0.017 0.000 2.698 189 R HA 0.183 4.523 4.340 -0.000 0.000 0.266 189 R C -2.404 173.925 176.300 0.049 0.000 1.026 189 R CA -1.360 54.748 56.100 0.013 0.000 1.102 189 R CB -0.666 29.635 30.300 0.002 0.000 0.978 189 R HN 0.234 nan 8.270 nan 0.000 0.436 190 P HA 0.003 nan 4.420 nan 0.000 0.266 190 P C -0.510 176.914 177.300 0.207 0.000 1.195 190 P CA 0.038 63.232 63.100 0.157 0.000 0.768 190 P CB 0.524 32.335 31.700 0.186 0.000 0.838 191 I N 4.826 125.470 120.570 0.124 0.000 2.377 191 I HA 0.449 4.619 4.170 -0.000 0.000 0.293 191 I C -2.464 173.592 176.117 -0.101 0.000 0.987 191 I CA -3.169 58.163 61.300 0.053 0.000 1.185 191 I CB 2.295 40.291 38.000 -0.006 0.000 1.341 191 I HN 0.210 nan 8.210 nan 0.000 0.455 192 P HA 0.263 nan 4.420 nan 0.000 0.282 192 P C -1.354 175.733 177.300 -0.355 0.000 1.249 192 P CA -0.360 62.434 63.100 -0.511 0.000 0.806 192 P CB 1.497 32.708 31.700 -0.816 0.000 0.984 193 S N 0.382 115.879 115.700 -0.338 0.000 2.572 193 S HA 0.605 5.075 4.470 -0.000 0.000 0.274 193 S C -0.444 174.216 174.600 0.100 0.000 1.150 193 S CA -0.512 57.558 58.200 -0.216 0.000 0.944 193 S CB 1.592 64.510 63.200 -0.470 0.000 1.071 193 S HN 0.660 nan 8.310 nan 0.000 0.479 194 A N 2.375 125.243 122.820 0.080 0.000 2.304 194 A HA 0.945 5.265 4.320 -0.000 0.000 0.271 194 A C -0.383 177.346 177.584 0.242 0.000 1.091 194 A CA -0.230 51.861 52.037 0.090 0.000 0.812 194 A CB -0.064 18.866 19.000 -0.117 0.000 1.056 194 A HN 1.147 nan 8.150 nan 0.000 0.489 195 F N -1.791 118.100 119.950 -0.098 0.000 3.122 195 F HA 0.641 5.167 4.527 -0.000 0.000 0.325 195 F C -1.183 174.506 175.800 -0.185 0.000 1.162 195 F CA -1.435 56.464 58.000 -0.168 0.000 0.876 195 F CB 0.387 39.173 39.000 -0.356 0.000 1.429 195 F HN 0.575 nan 8.300 nan 0.000 0.484 196 C N 0.933 120.203 119.300 -0.050 0.000 2.802 196 C HA 0.763 5.223 4.460 -0.000 0.000 0.307 196 C C -1.155 173.790 174.990 -0.075 0.000 1.222 196 C CA -0.601 58.336 59.018 -0.136 0.000 1.580 196 C CB 1.417 29.238 27.740 0.135 0.000 2.119 196 C HN 0.596 nan 8.230 nan 0.000 0.479 197 F N 2.269 122.239 119.950 0.034 0.000 2.422 197 F HA 0.735 5.262 4.527 -0.000 0.000 0.333 197 F C -0.008 175.927 175.800 0.225 0.000 1.095 197 F CA -0.668 57.405 58.000 0.122 0.000 1.038 197 F CB 1.311 40.229 39.000 -0.137 0.000 1.156 197 F HN 0.297 nan 8.300 nan 0.000 0.483 198 L N 2.548 124.052 121.223 0.469 0.000 2.410 198 L HA 0.722 5.062 4.340 -0.000 0.000 0.270 198 L C -0.858 175.955 176.870 -0.095 0.000 0.983 198 L CA -0.132 54.808 54.840 0.166 0.000 0.822 198 L CB 2.009 44.053 42.059 -0.025 0.000 1.285 198 L HN 0.480 nan 8.230 nan 0.000 0.409 199 S N 2.595 118.017 115.700 -0.464 0.000 2.557 199 S HA 0.514 4.983 4.470 -0.000 0.000 0.291 199 S C -0.120 174.120 174.600 -0.600 0.000 1.116 199 S CA -0.511 57.199 58.200 -0.816 0.000 0.992 199 S CB 0.673 62.895 63.200 -1.629 0.000 1.028 199 S HN 0.796 nan 8.310 nan 0.000 0.484 200 H N 2.711 121.583 119.070 -0.330 0.000 2.622 200 H HA 0.192 4.747 4.556 -0.000 0.000 0.269 200 H C -0.215 174.905 175.328 -0.348 0.000 0.977 200 H CA 0.391 56.275 56.048 -0.273 0.000 1.179 200 H CB 0.333 29.993 29.762 -0.169 0.000 1.458 200 H HN 0.711 nan 8.280 nan 0.000 0.531 201 D N -0.762 119.473 120.400 -0.275 0.000 2.892 201 D HA 0.041 4.681 4.640 -0.000 0.000 0.291 201 D C -0.206 175.986 176.300 -0.180 0.000 1.341 201 D CA -0.599 53.268 54.000 -0.221 0.000 0.844 201 D CB -0.613 40.134 40.800 -0.089 0.000 1.093 201 D HN 0.088 nan 8.370 nan 0.000 0.480 202 H N 0.072 119.067 119.070 -0.125 0.000 2.791 202 H HA -0.146 4.410 4.556 -0.000 0.000 0.302 202 H C 1.416 176.725 175.328 -0.031 0.000 1.198 202 H CA 1.048 57.064 56.048 -0.053 0.000 1.145 202 H CB -1.580 28.236 29.762 0.090 0.000 1.385 202 H HN 0.716 nan 8.280 nan 0.000 0.409 203 G N -0.380 108.236 108.800 -0.307 0.000 2.157 203 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.239 203 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.239 203 G C 1.073 175.927 174.900 -0.077 0.000 0.982 203 G CA 0.769 45.731 45.100 -0.229 0.000 0.650 203 G HN 0.585 nan 8.290 nan 0.000 0.527 204 R N 0.645 121.073 120.500 -0.121 0.000 2.073 204 R HA 0.121 4.461 4.340 -0.000 0.000 0.229 204 R C 1.360 177.616 176.300 -0.075 0.000 1.120 204 R CA 2.016 58.103 56.100 -0.021 0.000 0.967 204 R CB -0.073 30.226 30.300 -0.002 0.000 0.862 204 R HN 0.666 nan 8.270 nan 0.000 0.436 205 T N -3.216 111.183 114.554 -0.257 0.000 2.906 205 T HA 0.503 4.853 4.350 -0.000 0.000 0.295 205 T C -1.222 173.216 174.700 -0.437 0.000 1.061 205 T CA -0.891 61.100 62.100 -0.182 0.000 1.000 205 T CB 1.590 70.403 68.868 -0.090 0.000 1.103 205 T HN 0.198 nan 8.240 nan 0.000 0.486 206 W N 0.238 121.526 121.300 -0.020 0.000 2.936 206 W HA 0.744 5.403 4.660 -0.000 0.000 0.338 206 W C -0.478 176.047 176.519 0.010 0.000 1.121 206 W CA -0.968 56.362 57.345 -0.024 0.000 1.209 206 W CB 2.401 31.829 29.460 -0.053 0.000 1.420 206 W HN 1.056 nan 8.180 nan 0.000 0.516 207 A N 2.379 125.383 122.820 0.307 0.000 2.365 207 A HA 0.825 5.145 4.320 -0.000 0.000 0.318 207 A C -1.205 176.553 177.584 0.289 0.000 1.091 207 A CA -1.049 51.108 52.037 0.200 0.000 0.763 207 A CB 1.505 20.554 19.000 0.081 0.000 1.248 207 A HN 0.699 nan 8.150 nan 0.000 0.442 208 R N 1.946 122.554 120.500 0.180 0.000 2.229 208 R HA 0.494 4.833 4.340 -0.000 0.000 0.332 208 R C 0.452 176.705 176.300 -0.078 0.000 0.989 208 R CA 0.027 56.177 56.100 0.082 0.000 0.842 208 R CB 0.901 31.187 30.300 -0.025 0.000 1.119 208 R HN 0.923 nan 8.270 nan 0.000 0.456 209 G N 2.125 110.919 108.800 -0.010 0.000 2.599 209 G HA2 0.102 4.062 3.960 -0.000 0.000 0.264 209 G HA3 0.102 4.062 3.960 -0.000 0.000 0.264 209 G C -0.724 174.084 174.900 -0.153 0.000 1.200 209 G CA -0.475 44.643 45.100 0.030 0.000 0.896 209 G HN 0.684 nan 8.290 nan 0.000 0.536 210 H N -0.792 118.237 119.070 -0.068 0.000 2.690 210 H HA 0.294 4.850 4.556 -0.000 0.000 0.365 210 H C 0.021 175.321 175.328 -0.046 0.000 1.142 210 H CA 0.185 56.164 56.048 -0.116 0.000 1.417 210 H CB 0.456 30.229 29.762 0.018 0.000 1.446 210 H HN 0.267 nan 8.280 nan 0.000 0.599 211 F N 1.042 121.070 119.950 0.130 0.000 2.496 211 F HA 0.101 4.628 4.527 -0.000 0.000 0.344 211 F C 1.066 176.922 175.800 0.094 0.000 1.155 211 F CA -0.292 57.758 58.000 0.083 0.000 1.302 211 F CB 0.164 39.160 39.000 -0.007 0.000 1.159 211 F HN 0.310 nan 8.300 nan 0.000 0.595 212 V N 0.099 120.150 119.914 0.228 0.000 3.871 212 V HA 0.804 4.923 4.120 -0.000 0.000 0.274 212 V C 0.570 176.699 176.094 0.058 0.000 1.104 212 V CA -1.039 61.303 62.300 0.069 0.000 0.852 212 V CB -0.239 31.505 31.823 -0.133 0.000 1.222 212 V HN 0.919 nan 8.190 nan 0.000 0.420 213 A N -0.333 122.483 122.820 -0.006 0.000 2.492 213 A HA 0.251 4.571 4.320 -0.000 0.000 0.236 213 A C 0.420 177.970 177.584 -0.057 0.000 1.078 213 A CA -0.056 51.968 52.037 -0.022 0.000 0.773 213 A CB -0.570 18.406 19.000 -0.039 0.000 1.023 213 A HN 0.845 nan 8.150 nan 0.000 0.504 214 Q N -0.361 119.402 119.800 -0.061 0.000 2.417 214 Q HA 0.248 4.588 4.340 -0.000 0.000 0.241 214 Q C -0.425 175.512 176.000 -0.105 0.000 1.008 214 Q CA 0.228 55.972 55.803 -0.098 0.000 0.901 214 Q CB 0.339 29.037 28.738 -0.067 0.000 1.259 214 Q HN 0.774 nan 8.270 nan 0.000 0.489 215 D N 0.299 120.621 120.400 -0.131 0.000 2.716 215 D HA -0.126 4.514 4.640 -0.000 0.000 0.239 215 D C -1.256 174.892 176.300 -0.254 0.000 1.125 215 D CA 1.232 55.147 54.000 -0.142 0.000 0.681 215 D CB -0.937 39.844 40.800 -0.032 0.000 1.070 215 D HN 0.610 nan 8.370 nan 0.000 0.432 216 T N -1.682 112.710 114.554 -0.270 0.000 2.824 216 T HA 0.715 5.065 4.350 -0.000 0.000 0.282 216 T C 0.685 175.148 174.700 -0.395 0.000 0.993 216 T CA -1.001 60.917 62.100 -0.303 0.000 0.967 216 T CB 2.126 70.865 68.868 -0.216 0.000 0.960 216 T HN 0.006 nan 8.240 nan 0.000 0.441 217 L N 0.909 121.827 121.223 -0.509 0.000 2.694 217 L HA 0.537 4.877 4.340 -0.000 0.000 0.198 217 L C 0.616 176.982 176.870 -0.839 0.000 1.903 217 L CA -0.983 53.354 54.840 -0.838 0.000 2.945 217 L CB -0.589 41.018 42.059 -0.753 0.000 2.882 217 L HN 0.640 nan 8.230 nan 0.000 0.702 218 E N 0.451 120.108 120.200 -0.905 0.000 2.765 218 E HA 0.109 4.459 4.350 -0.000 0.000 0.256 218 E C -0.614 175.839 176.600 -0.246 0.000 0.935 218 E CA 0.369 56.512 56.400 -0.427 0.000 0.954 218 E CB 0.004 29.538 29.700 -0.278 0.000 0.908 218 E HN 0.536 nan 8.360 nan 0.000 0.500 219 C N 1.609 120.829 119.300 -0.133 0.000 3.154 219 C HA 0.668 5.128 4.460 -0.000 0.000 0.312 219 C C -0.904 174.043 174.990 -0.071 0.000 1.349 219 C CA -0.876 58.071 59.018 -0.117 0.000 1.518 219 C CB 1.535 29.182 27.740 -0.154 0.000 1.934 219 C HN 0.718 nan 8.230 nan 0.000 0.462 220 Q N 0.513 120.287 119.800 -0.044 0.000 2.456 220 Q HA 0.753 5.093 4.340 -0.000 0.000 0.283 220 Q C -1.054 174.957 176.000 0.019 0.000 1.084 220 Q CA -0.693 55.092 55.803 -0.030 0.000 0.801 220 Q CB 2.672 31.409 28.738 -0.002 0.000 1.434 220 Q HN 1.011 nan 8.270 nan 0.000 0.419 221 V N -2.404 117.534 119.914 0.041 0.000 2.914 221 V HA 1.046 5.166 4.120 -0.000 0.000 0.314 221 V C -0.960 175.239 176.094 0.175 0.000 1.084 221 V CA -0.740 61.628 62.300 0.114 0.000 0.963 221 V CB 1.548 33.448 31.823 0.128 0.000 1.025 221 V HN 0.904 nan 8.190 nan 0.000 0.432 222 A N 1.938 124.877 122.820 0.198 0.000 2.594 222 A HA 0.856 5.176 4.320 -0.000 0.000 0.291 222 A C -0.944 176.747 177.584 0.178 0.000 1.105 222 A CA -0.637 51.532 52.037 0.221 0.000 0.694 222 A CB 1.997 21.149 19.000 0.253 0.000 1.291 222 A HN 1.078 nan 8.150 nan 0.000 0.410 223 E N 0.194 120.492 120.200 0.164 0.000 2.183 223 E HA 0.641 4.991 4.350 -0.000 0.000 0.271 223 E C -0.965 175.696 176.600 0.102 0.000 0.919 223 E CA -0.660 55.813 56.400 0.123 0.000 0.781 223 E CB 1.697 31.466 29.700 0.114 0.000 1.140 223 E HN 1.018 nan 8.360 nan 0.000 0.402 224 V N 0.415 120.372 119.914 0.072 0.000 3.181 224 V HA 0.550 4.670 4.120 -0.000 0.000 0.308 224 V C -0.733 175.378 176.094 0.029 0.000 1.214 224 V CA -1.068 61.260 62.300 0.047 0.000 1.053 224 V CB 1.702 33.542 31.823 0.029 0.000 1.069 224 V HN 0.808 nan 8.190 nan 0.000 0.441 225 E N 0.633 120.844 120.200 0.018 0.000 2.216 225 E HA 0.668 5.018 4.350 -0.000 0.000 0.279 225 E C -0.680 175.919 176.600 -0.001 0.000 0.997 225 E CA 0.001 56.407 56.400 0.010 0.000 0.817 225 E CB 1.703 31.409 29.700 0.009 0.000 1.096 225 E HN 1.076 nan 8.360 nan 0.000 0.393 230 R N 0.701 121.203 120.500 0.003 0.000 2.308 230 R HA 0.606 4.946 4.340 -0.000 0.000 0.305 230 R C -0.203 176.101 176.300 0.008 0.000 1.053 230 R CA -0.225 55.882 56.100 0.012 0.000 0.957 230 R CB 1.546 31.858 30.300 0.021 0.000 1.022 230 R HN 0.527 nan 8.270 nan 0.000 0.461 231 V N -0.331 119.593 119.914 0.016 0.000 2.962 231 V HA 0.579 4.699 4.120 -0.000 0.000 0.313 231 V C -0.384 175.735 176.094 0.042 0.000 1.099 231 V CA -0.990 61.317 62.300 0.012 0.000 0.971 231 V CB 2.188 34.018 31.823 0.012 0.000 1.028 231 V HN 0.359 nan 8.190 nan 0.000 0.430 232 V N 2.286 122.222 119.914 0.037 0.000 2.394 232 V HA 0.550 4.670 4.120 -0.000 0.000 0.282 232 V C 0.454 176.670 176.094 0.204 0.000 1.031 232 V CA 0.183 62.548 62.300 0.107 0.000 0.881 232 V CB 1.463 33.338 31.823 0.086 0.000 0.982 232 V HN 1.137 nan 8.190 nan 0.000 0.451 233 T N 6.318 120.999 114.554 0.212 0.000 2.794 233 T HA 0.617 4.967 4.350 -0.000 0.000 0.280 233 T C -0.890 173.935 174.700 0.208 0.000 0.987 233 T CA -0.372 61.862 62.100 0.223 0.000 0.993 233 T CB 0.755 69.718 68.868 0.159 0.000 0.939 233 T HN 0.546 nan 8.240 nan 0.000 0.449 234 L N 5.897 127.206 121.223 0.144 0.000 2.313 234 L HA 0.631 4.971 4.340 -0.000 0.000 0.283 234 L C -0.539 176.287 176.870 -0.074 0.000 1.013 234 L CA -0.703 54.113 54.840 -0.040 0.000 0.816 234 L CB 1.163 42.987 42.059 -0.392 0.000 1.236 234 L HN 0.547 nan 8.230 nan 0.000 0.419 235 N N 4.431 123.101 118.700 -0.051 0.000 2.479 235 N HA 0.612 5.352 4.740 -0.000 0.000 0.261 235 N C -1.359 174.090 175.510 -0.102 0.000 0.979 235 N CA -0.168 52.835 53.050 -0.078 0.000 0.930 235 N CB 1.950 40.420 38.487 -0.029 0.000 1.172 235 N HN 0.741 nan 8.380 nan 0.000 0.499 236 A N 3.108 125.836 122.820 -0.152 0.000 2.356 236 A HA 0.558 4.878 4.320 -0.000 0.000 0.323 236 A C 0.017 177.493 177.584 -0.180 0.000 1.119 236 A CA -0.833 51.099 52.037 -0.175 0.000 0.790 236 A CB 1.329 20.203 19.000 -0.211 0.000 1.273 236 A HN 0.743 nan 8.150 nan 0.000 0.452 237 R N 0.646 121.024 120.500 -0.203 0.000 2.543 237 R HA 0.460 4.800 4.340 -0.000 0.000 0.277 237 R C 0.077 176.225 176.300 -0.255 0.000 1.074 237 R CA 0.749 56.735 56.100 -0.190 0.000 1.076 237 R CB 0.468 30.637 30.300 -0.219 0.000 0.993 237 R HN 0.970 nan 8.270 nan 0.000 0.459 238 S N 1.354 116.927 115.700 -0.211 0.000 2.732 238 S HA 0.263 4.733 4.470 -0.000 0.000 0.293 238 S C -0.224 174.263 174.600 -0.189 0.000 1.159 238 S CA -0.881 57.166 58.200 -0.255 0.000 0.847 238 S CB 1.459 64.567 63.200 -0.154 0.000 1.169 238 S HN 0.853 nan 8.310 nan 0.000 0.501 239 H N -0.375 118.671 119.070 -0.040 0.000 2.505 239 H HA 0.496 5.052 4.556 -0.000 0.000 0.286 239 H C -0.014 175.309 175.328 -0.008 0.000 1.072 239 H CA -0.325 55.715 56.048 -0.014 0.000 1.141 239 H CB 0.119 29.871 29.762 -0.016 0.000 1.550 239 H HN 0.180 nan 8.280 nan 0.000 0.547 240 L N -0.427 120.838 121.223 0.071 0.000 2.687 240 L HA 0.400 4.740 4.340 -0.000 0.000 0.252 240 L C 1.237 178.129 176.870 0.036 0.000 1.115 240 L CA -0.815 54.048 54.840 0.039 0.000 0.893 240 L CB 0.848 42.907 42.059 -0.000 0.000 1.670 240 L HN 0.090 nan 8.230 nan 0.000 0.531 241 R N -0.323 120.189 120.500 0.021 0.000 2.317 241 R HA 0.381 4.721 4.340 -0.000 0.000 0.208 241 R C -0.364 175.931 176.300 -0.007 0.000 0.914 241 R CA -0.016 56.101 56.100 0.028 0.000 1.060 241 R CB 0.501 30.821 30.300 0.033 0.000 1.015 241 R HN 0.594 nan 8.270 nan 0.000 0.498 242 A N 0.572 123.365 122.820 -0.045 0.000 2.556 242 A HA 0.558 4.878 4.320 -0.000 0.000 0.294 242 A C -0.706 176.789 177.584 -0.149 0.000 1.091 242 A CA -0.951 51.023 52.037 -0.106 0.000 0.704 242 A CB 1.302 20.244 19.000 -0.098 0.000 1.300 242 A HN -0.028 nan 8.150 nan 0.000 0.406 243 R N -0.122 120.235 120.500 -0.239 0.000 2.738 243 R HA 0.430 4.770 4.340 -0.000 0.000 0.268 243 R C -0.606 175.569 176.300 -0.209 0.000 1.062 243 R CA -0.219 55.722 56.100 -0.265 0.000 1.158 243 R CB 0.505 30.553 30.300 -0.420 0.000 1.046 243 R HN 0.431 nan 8.270 nan 0.000 0.493 244 V N 2.416 122.217 119.914 -0.188 0.000 2.459 244 V HA 0.268 4.388 4.120 -0.000 0.000 0.295 244 V C 0.206 176.209 176.094 -0.151 0.000 1.029 244 V CA -0.581 61.629 62.300 -0.151 0.000 0.874 244 V CB 1.624 33.362 31.823 -0.143 0.000 0.985 244 V HN 0.535 nan 8.190 nan 0.000 0.438 245 Q N 2.831 122.565 119.800 -0.111 0.000 2.423 245 Q HA 0.864 5.204 4.340 -0.000 0.000 0.278 245 Q C -1.416 174.558 176.000 -0.042 0.000 1.097 245 Q CA -0.613 55.144 55.803 -0.078 0.000 0.809 245 Q CB 2.692 31.411 28.738 -0.030 0.000 1.391 245 Q HN 0.898 nan 8.270 nan 0.000 0.428 246 A N 2.332 125.140 122.820 -0.019 0.000 2.594 246 A HA 0.597 4.917 4.320 -0.000 0.000 0.295 246 A C -1.671 176.093 177.584 0.300 0.000 1.071 246 A CA -0.640 51.449 52.037 0.088 0.000 0.685 246 A CB 1.749 20.744 19.000 -0.008 0.000 1.285 246 A HN 0.745 nan 8.150 nan 0.000 0.405 247 Q N 0.138 120.154 119.800 0.359 0.000 2.377 247 Q HA 0.820 5.160 4.340 -0.000 0.000 0.271 247 Q C -0.713 175.376 176.000 0.148 0.000 1.077 247 Q CA -0.690 55.294 55.803 0.302 0.000 0.820 247 Q CB 2.090 30.905 28.738 0.129 0.000 1.347 247 Q HN 0.762 nan 8.270 nan 0.000 0.444 248 S N 0.180 115.789 115.700 -0.151 0.000 2.521 248 S HA 0.423 4.893 4.470 -0.000 0.000 0.295 248 S C 0.047 174.515 174.600 -0.220 0.000 1.098 248 S CA -0.140 57.788 58.200 -0.454 0.000 0.999 248 S CB 1.607 64.114 63.200 -1.155 0.000 1.034 248 S HN 0.761 nan 8.310 nan 0.000 0.483 249 T N 0.459 114.912 114.554 -0.168 0.000 3.069 249 T HA 0.183 4.533 4.350 -0.000 0.000 0.252 249 T C 0.368 175.015 174.700 -0.090 0.000 1.053 249 T CA -0.184 61.859 62.100 -0.096 0.000 0.964 249 T CB -0.533 68.296 68.868 -0.064 0.000 1.005 249 T HN 0.619 nan 8.240 nan 0.000 0.532 250 N N 1.018 119.641 118.700 -0.128 0.000 2.599 250 N HA 0.162 4.901 4.740 -0.000 0.000 0.309 250 N C -0.883 174.587 175.510 -0.066 0.000 1.743 250 N CA -0.469 52.534 53.050 -0.078 0.000 0.918 250 N CB -0.105 38.343 38.487 -0.066 0.000 1.339 250 N HN 0.021 nan 8.380 nan 0.000 0.493 251 D N -0.200 120.161 120.400 -0.065 0.000 3.012 251 D HA -0.151 4.489 4.640 -0.000 0.000 0.222 251 D C 1.023 177.284 176.300 -0.064 0.000 1.167 251 D CA 1.805 55.790 54.000 -0.025 0.000 0.854 251 D CB -1.477 39.363 40.800 0.067 0.000 1.107 251 D HN 0.811 nan 8.370 nan 0.000 0.421 252 G N -1.422 107.239 108.800 -0.232 0.000 2.176 252 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.232 252 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.232 252 G C 0.871 175.701 174.900 -0.116 0.000 0.986 252 G CA 0.393 45.332 45.100 -0.269 0.000 0.643 252 G HN 0.381 nan 8.290 nan 0.000 0.522 253 L N 0.775 121.941 121.223 -0.096 0.000 2.109 253 L HA 0.317 4.657 4.340 -0.000 0.000 0.207 253 L C 0.660 177.574 176.870 0.074 0.000 1.086 253 L CA 1.671 56.532 54.840 0.035 0.000 0.760 253 L CB 0.056 42.138 42.059 0.039 0.000 0.910 253 L HN 0.345 nan 8.230 nan 0.000 0.437 254 D N -2.217 118.113 120.400 -0.117 0.000 2.964 254 D HA 0.277 4.917 4.640 -0.000 0.000 0.234 254 D C -1.222 174.930 176.300 -0.246 0.000 1.223 254 D CA -0.325 53.615 54.000 -0.100 0.000 0.889 254 D CB 1.819 42.523 40.800 -0.159 0.000 1.609 254 D HN -0.243 nan 8.370 nan 0.000 0.523 255 F N 1.171 121.129 119.950 0.013 0.000 2.450 255 F HA 0.258 4.785 4.527 -0.000 0.000 0.332 255 F C 1.245 177.047 175.800 0.003 0.000 1.093 255 F CA -0.627 57.382 58.000 0.016 0.000 1.003 255 F CB 1.559 40.579 39.000 0.033 0.000 1.151 255 F HN 0.007 nan 8.300 nan 0.000 0.474 256 Q N 0.552 120.451 119.800 0.165 0.000 2.500 256 Q HA 0.076 4.416 4.340 -0.000 0.000 0.215 256 Q C -0.105 175.964 176.000 0.114 0.000 1.062 256 Q CA -0.558 55.302 55.803 0.095 0.000 0.996 256 Q CB 0.382 29.157 28.738 0.061 0.000 1.239 256 Q HN 0.577 nan 8.270 nan 0.000 0.578 257 E N 0.424 120.664 120.200 0.067 0.000 2.608 257 E HA -0.067 4.283 4.350 -0.000 0.000 0.259 257 E C -0.896 175.733 176.600 0.048 0.000 0.951 257 E CA -0.135 56.296 56.400 0.051 0.000 0.945 257 E CB 0.510 30.228 29.700 0.030 0.000 0.916 257 E HN 0.336 nan 8.360 nan 0.000 0.477 258 S N 3.641 119.361 115.700 0.032 0.000 2.572 258 S HA 0.083 4.552 4.470 -0.000 0.000 0.279 258 S C -0.316 174.280 174.600 -0.007 0.000 1.341 258 S CA -0.486 57.715 58.200 0.002 0.000 1.043 258 S CB 0.923 64.107 63.200 -0.027 0.000 0.887 258 S HN 0.439 nan 8.310 nan 0.000 0.516 259 Q N 1.325 121.115 119.800 -0.017 0.000 2.413 259 Q HA 0.462 4.802 4.340 -0.000 0.000 0.276 259 Q C -0.935 175.039 176.000 -0.043 0.000 1.099 259 Q CA -0.621 55.170 55.803 -0.020 0.000 0.814 259 Q CB 2.123 30.858 28.738 -0.005 0.000 1.379 259 Q HN 0.553 nan 8.270 nan 0.000 0.436 260 L N 1.378 122.575 121.223 -0.043 0.000 2.292 260 L HA 0.337 4.677 4.340 -0.000 0.000 0.284 260 L C -0.284 176.545 176.870 -0.067 0.000 1.065 260 L CA -0.711 54.091 54.840 -0.063 0.000 0.806 260 L CB 1.215 43.245 42.059 -0.050 0.000 1.175 260 L HN 0.286 nan 8.230 nan 0.000 0.431 261 V N 4.712 124.558 119.914 -0.113 0.000 2.247 261 V HA 0.122 4.242 4.120 -0.000 0.000 0.262 261 V C 1.069 177.075 176.094 -0.147 0.000 1.096 261 V CA -0.478 61.746 62.300 -0.127 0.000 0.895 261 V CB 0.458 32.141 31.823 -0.232 0.000 1.141 261 V HN 0.748 nan 8.190 nan 0.000 0.478 262 K N 1.997 122.351 120.400 -0.077 0.000 2.152 262 K HA -0.159 4.161 4.320 -0.000 0.000 0.206 262 K C 1.734 178.298 176.600 -0.060 0.000 1.048 262 K CA 1.306 57.558 56.287 -0.060 0.000 0.933 262 K CB 0.038 32.524 32.500 -0.024 0.000 0.721 262 K HN 0.502 nan 8.250 nan 0.000 0.447 263 K N 0.469 120.836 120.400 -0.054 0.000 2.442 263 K HA -0.005 4.315 4.320 -0.000 0.000 0.198 263 K C 0.231 176.766 176.600 -0.108 0.000 1.042 263 K CA 0.536 56.815 56.287 -0.014 0.000 0.958 263 K CB 0.095 32.643 32.500 0.081 0.000 0.766 263 K HN 0.105 nan 8.250 nan 0.000 0.474 264 L N 1.848 122.875 121.223 -0.327 0.000 2.313 264 L HA 0.236 4.576 4.340 -0.000 0.000 0.273 264 L C -0.224 176.444 176.870 -0.336 0.000 1.028 264 L CA -0.716 53.791 54.840 -0.555 0.000 0.871 264 L CB 1.419 42.843 42.059 -1.058 0.000 1.242 264 L HN -0.169 nan 8.230 nan 0.000 0.434 265 V N 2.919 122.746 119.914 -0.145 0.000 2.843 265 V HA 0.104 4.224 4.120 -0.000 0.000 0.305 265 V C -0.060 175.974 176.094 -0.100 0.000 1.065 265 V CA 0.287 62.552 62.300 -0.059 0.000 1.116 265 V CB 1.717 33.578 31.823 0.064 0.000 0.968 265 V HN 0.814 nan 8.190 nan 0.000 0.487 266 E N 7.198 127.392 120.200 -0.009 0.000 2.246 266 E HA 0.544 4.894 4.350 -0.000 0.000 0.266 266 E C -2.813 173.876 176.600 0.148 0.000 0.880 266 E CA -2.311 54.130 56.400 0.068 0.000 0.762 266 E CB 2.360 32.058 29.700 -0.003 0.000 1.180 266 E HN 0.487 nan 8.360 nan 0.000 0.416 267 P HA 0.244 nan 4.420 nan 0.000 0.284 267 P C -2.605 174.811 177.300 0.194 0.000 1.343 267 P CA -1.486 61.744 63.100 0.217 0.000 0.826 267 P CB 0.595 32.413 31.700 0.197 0.000 0.956 268 P HA 0.176 nan 4.420 nan 0.000 0.274 268 P C -1.776 175.614 177.300 0.149 0.000 1.246 268 P CA -1.402 61.786 63.100 0.147 0.000 0.795 268 P CB 0.156 31.923 31.700 0.111 0.000 1.006 269 P HA 0.136 nan 4.420 nan 0.000 0.261 269 P C 1.006 178.355 177.300 0.082 0.000 1.268 269 P CA 0.726 63.862 63.100 0.061 0.000 0.833 269 P CB 0.619 32.316 31.700 -0.005 0.000 1.231 270 Q N -0.294 119.585 119.800 0.130 0.000 2.391 270 Q HA 0.278 4.618 4.340 -0.000 0.000 0.211 270 Q C 0.994 177.153 176.000 0.265 0.000 0.908 270 Q CA 0.541 56.467 55.803 0.204 0.000 0.920 270 Q CB 0.158 28.977 28.738 0.135 0.000 1.056 270 Q HN 0.254 nan 8.270 nan 0.000 0.523 271 G N 0.482 109.399 108.800 0.194 0.000 2.796 271 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.226 271 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.226 271 G C -0.770 174.211 174.900 0.135 0.000 1.381 271 G CA -0.336 44.857 45.100 0.156 0.000 0.867 271 G HN 0.376 nan 8.290 nan 0.000 0.552 272 C N -0.421 118.951 119.300 0.121 0.000 3.170 272 C HA 0.686 5.146 4.460 -0.000 0.000 0.319 272 C C 0.179 175.088 174.990 -0.134 0.000 1.260 272 C CA -0.225 58.788 59.018 -0.008 0.000 1.374 272 C CB 1.534 29.173 27.740 -0.168 0.000 1.739 272 C HN 1.148 nan 8.230 nan 0.000 0.479 273 Q N 1.956 121.462 119.800 -0.491 0.000 2.373 273 Q HA 0.534 4.874 4.340 -0.000 0.000 0.255 273 Q C -0.061 175.761 176.000 -0.297 0.000 0.980 273 Q CA 0.581 56.032 55.803 -0.587 0.000 0.882 273 Q CB 1.398 29.302 28.738 -1.390 0.000 1.249 273 Q HN 1.067 nan 8.270 nan 0.000 0.438 274 G N 0.887 109.633 108.800 -0.090 0.000 2.694 274 G HA2 0.479 4.439 3.960 -0.000 0.000 0.290 274 G HA3 0.479 4.439 3.960 -0.000 0.000 0.290 274 G C -1.656 173.228 174.900 -0.026 0.000 1.386 274 G CA -0.414 44.659 45.100 -0.045 0.000 0.872 274 G HN 0.535 nan 8.290 nan 0.000 0.475 275 S N -1.411 114.251 115.700 -0.064 0.000 2.536 275 S HA 0.761 5.231 4.470 -0.000 0.000 0.298 275 S C -1.217 173.525 174.600 0.236 0.000 1.083 275 S CA -0.650 57.627 58.200 0.128 0.000 0.995 275 S CB 1.773 65.086 63.200 0.189 0.000 1.058 275 S HN 1.305 nan 8.310 nan 0.000 0.488 276 V N 5.959 126.088 119.914 0.359 0.000 2.888 276 V HA 0.806 4.926 4.120 -0.000 0.000 0.309 276 V C -1.235 175.125 176.094 0.443 0.000 1.114 276 V CA -0.739 61.817 62.300 0.427 0.000 0.940 276 V CB 1.617 33.689 31.823 0.416 0.000 1.021 276 V HN 0.932 nan 8.190 nan 0.000 0.426 277 I N 3.016 123.838 120.570 0.419 0.000 2.994 277 I HA 0.882 5.052 4.170 -0.000 0.000 0.306 277 I C -0.404 175.961 176.117 0.412 0.000 1.195 277 I CA -0.610 60.930 61.300 0.400 0.000 1.001 277 I CB 2.373 40.563 38.000 0.317 0.000 1.244 277 I HN 0.648 nan 8.210 nan 0.000 0.437 278 S N 2.573 118.495 115.700 0.369 0.000 2.638 278 S HA 0.907 5.377 4.470 -0.000 0.000 0.298 278 S C -0.717 174.141 174.600 0.432 0.000 1.111 278 S CA -0.511 57.876 58.200 0.312 0.000 1.027 278 S CB 1.613 64.931 63.200 0.197 0.000 1.064 278 S HN 0.933 nan 8.310 nan 0.000 0.525 279 F N -2.724 117.358 119.950 0.220 0.000 2.678 279 F HA 0.749 5.276 4.527 -0.000 0.000 0.308 279 F C -3.526 172.331 175.800 0.096 0.000 1.118 279 F CA -2.569 55.542 58.000 0.184 0.000 0.959 279 F CB 0.326 39.505 39.000 0.299 0.000 1.305 279 F HN 0.333 nan 8.300 nan 0.000 0.443 280 P HA 0.050 nan 4.420 nan 0.000 0.264 280 P C -0.232 176.904 177.300 -0.273 0.000 1.193 280 P CA 0.232 63.295 63.100 -0.061 0.000 0.763 280 P CB 0.916 32.627 31.700 0.018 0.000 0.810 281 S N 4.989 120.400 115.700 -0.482 0.000 2.546 281 S HA 0.058 4.528 4.470 -0.000 0.000 0.290 281 S C -1.030 173.178 174.600 -0.652 0.000 1.290 281 S CA -0.902 56.729 58.200 -0.948 0.000 1.069 281 S CB -0.289 62.488 63.200 -0.705 0.000 0.846 281 S HN 0.359 nan 8.310 nan 0.000 0.495 282 P HA 0.074 nan 4.420 nan 0.000 0.249 282 P C -0.059 177.043 177.300 -0.331 0.000 1.241 282 P CA 0.362 63.221 63.100 -0.401 0.000 0.781 282 P CB 0.174 31.678 31.700 -0.326 0.000 1.088 289 P HA 0.419 nan 4.420 nan 0.000 0.269 289 P C 0.630 177.958 177.300 0.046 0.000 1.209 289 P CA 0.543 63.679 63.100 0.060 0.000 0.776 289 P CB 0.987 32.733 31.700 0.076 0.000 0.876 290 A N 2.592 125.419 122.820 0.012 0.000 1.930 290 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 290 A C 0.928 178.478 177.584 -0.057 0.000 1.175 290 A CA 1.303 53.328 52.037 -0.021 0.000 0.627 290 A CB -0.351 18.645 19.000 -0.007 0.000 0.815 290 A HN 0.702 nan 8.150 nan 0.000 0.443 291 Q N -2.935 116.853 119.800 -0.020 0.000 2.433 291 Q HA 0.562 4.902 4.340 -0.000 0.000 0.279 291 Q C -1.362 174.666 176.000 0.046 0.000 1.105 291 Q CA -0.438 55.321 55.803 -0.074 0.000 0.815 291 Q CB 1.594 30.314 28.738 -0.029 0.000 1.403 291 Q HN 0.518 nan 8.270 nan 0.000 0.435 292 W N 0.799 121.760 121.300 -0.566 0.000 2.762 292 W HA 0.696 5.356 4.660 -0.000 0.000 0.355 292 W C -1.008 175.214 176.519 -0.494 0.000 1.124 292 W CA -0.811 56.173 57.345 -0.603 0.000 1.141 292 W CB 0.803 29.769 29.460 -0.823 0.000 1.432 292 W HN 0.441 nan 8.180 nan 0.000 0.586 293 L N 2.393 123.590 121.223 -0.042 0.000 2.342 293 L HA 0.614 4.954 4.340 -0.000 0.000 0.271 293 L C -0.967 176.152 176.870 0.415 0.000 1.008 293 L CA -1.249 53.696 54.840 0.174 0.000 0.818 293 L CB 1.675 43.777 42.059 0.073 0.000 1.296 293 L HN 0.106 nan 8.230 nan 0.000 0.427 294 L N 2.761 124.322 121.223 0.563 0.000 2.365 294 L HA 0.562 4.902 4.340 -0.000 0.000 0.273 294 L C -1.450 175.742 176.870 0.537 0.000 1.000 294 L CA -0.257 54.880 54.840 0.495 0.000 0.819 294 L CB 1.719 43.856 42.059 0.131 0.000 1.284 294 L HN 0.468 nan 8.230 nan 0.000 0.418 295 Y N 2.942 123.476 120.300 0.390 0.000 2.492 295 Y HA 0.753 5.303 4.550 -0.000 0.000 0.346 295 Y C -1.022 175.016 175.900 0.230 0.000 0.997 295 Y CA -0.375 57.854 58.100 0.215 0.000 1.025 295 Y CB 2.067 40.480 38.460 -0.080 0.000 1.263 295 Y HN 0.759 nan 8.280 nan 0.000 0.454 296 T N 3.281 117.601 114.554 -0.391 0.000 2.876 296 T HA 0.593 4.943 4.350 -0.000 0.000 0.289 296 T C -1.444 172.923 174.700 -0.555 0.000 1.014 296 T CA -0.525 61.395 62.100 -0.301 0.000 0.986 296 T CB 1.795 70.621 68.868 -0.071 0.000 1.021 296 T HN 0.959 nan 8.240 nan 0.000 0.458 297 H N 1.065 119.897 119.070 -0.396 0.000 2.984 297 H HA 0.304 4.860 4.556 -0.000 0.000 0.298 297 H C -3.403 171.893 175.328 -0.054 0.000 1.378 297 H CA -1.014 54.864 56.048 -0.284 0.000 1.241 297 H CB 1.617 31.114 29.762 -0.443 0.000 1.894 297 H HN 0.418 nan 8.280 nan 0.000 0.511 298 P HA 0.054 nan 4.420 nan 0.000 0.269 298 P C 0.546 178.010 177.300 0.274 0.000 1.215 298 P CA 0.693 63.799 63.100 0.010 0.000 0.780 298 P CB 0.707 32.338 31.700 -0.115 0.000 0.898 299 T N -2.789 111.863 114.554 0.164 0.000 3.044 299 T HA 0.036 4.386 4.350 -0.000 0.000 0.260 299 T C 0.668 175.445 174.700 0.128 0.000 1.019 299 T CA 0.181 62.389 62.100 0.180 0.000 0.921 299 T CB -0.484 68.421 68.868 0.060 0.000 1.053 299 T HN 0.352 nan 8.240 nan 0.000 0.533 300 H N 2.512 121.588 119.070 0.009 0.000 2.732 300 H HA 0.241 4.797 4.556 -0.000 0.000 0.351 300 H C 1.477 176.811 175.328 0.010 0.000 1.090 300 H CA 0.769 56.786 56.048 -0.051 0.000 1.431 300 H CB 1.707 31.364 29.762 -0.176 0.000 1.447 300 H HN 0.353 nan 8.280 nan 0.000 0.582 301 S N 4.323 120.035 115.700 0.019 0.000 2.447 301 S HA -0.112 4.358 4.470 -0.000 0.000 0.233 301 S C 1.294 176.158 174.600 0.440 0.000 1.006 301 S CA 0.896 59.228 58.200 0.221 0.000 0.957 301 S CB -0.082 63.235 63.200 0.196 0.000 0.773 301 S HN 0.851 nan 8.310 nan 0.000 0.507 302 W N -0.191 121.353 121.300 0.408 0.000 1.780 302 W HA 0.516 5.176 4.660 -0.000 0.000 0.256 302 W C -0.422 176.161 176.519 0.107 0.000 0.844 302 W CA -0.648 56.829 57.345 0.220 0.000 1.227 302 W CB -0.417 29.139 29.460 0.159 0.000 1.006 302 W HN 0.207 nan 8.180 nan 0.000 0.493 303 Q N 1.272 120.877 119.800 -0.326 0.000 2.433 303 Q HA 0.480 4.820 4.340 -0.000 0.000 0.279 303 Q C -0.435 175.402 176.000 -0.272 0.000 1.105 303 Q CA -1.009 54.458 55.803 -0.562 0.000 0.815 303 Q CB 2.727 30.683 28.738 -1.303 0.000 1.403 303 Q HN -0.109 nan 8.270 nan 0.000 0.435 304 R N 0.853 121.236 120.500 -0.196 0.000 2.891 304 R HA 0.529 4.869 4.340 -0.000 0.000 0.248 304 R C -0.923 175.278 176.300 -0.165 0.000 1.439 304 R CA -0.027 56.002 56.100 -0.119 0.000 1.288 304 R CB 0.201 30.471 30.300 -0.049 0.000 1.212 304 R HN 0.477 nan 8.270 nan 0.000 0.605 305 A N 1.473 124.207 122.820 -0.144 0.000 2.609 305 A HA 0.440 4.760 4.320 -0.000 0.000 0.291 305 A C -1.244 176.308 177.584 -0.053 0.000 1.096 305 A CA -0.879 51.084 52.037 -0.124 0.000 0.684 305 A CB 1.156 20.039 19.000 -0.196 0.000 1.282 305 A HN 0.575 nan 8.150 nan 0.000 0.412 306 D N -0.327 120.033 120.400 -0.067 0.000 3.133 306 D HA -0.131 4.509 4.640 -0.000 0.000 0.239 306 D C -0.374 175.867 176.300 -0.099 0.000 1.136 306 D CA 0.924 54.880 54.000 -0.073 0.000 0.898 306 D CB -1.117 39.663 40.800 -0.033 0.000 0.959 306 D HN 0.727 nan 8.370 nan 0.000 0.415 307 L N 0.719 121.839 121.223 -0.171 0.000 2.540 307 L HA 0.395 4.735 4.340 -0.000 0.000 0.276 307 L C 1.065 177.812 176.870 -0.206 0.000 1.212 307 L CA 1.049 55.759 54.840 -0.217 0.000 0.893 307 L CB 0.667 42.467 42.059 -0.432 0.000 1.138 307 L HN 0.326 nan 8.230 nan 0.000 0.491 308 G N 3.552 112.279 108.800 -0.120 0.000 2.533 308 G HA2 0.772 4.732 3.960 -0.000 0.000 0.304 308 G HA3 0.772 4.732 3.960 -0.000 0.000 0.304 308 G C -1.688 173.165 174.900 -0.078 0.000 1.263 308 G CA -0.306 44.687 45.100 -0.178 0.000 0.964 308 G HN 0.949 nan 8.290 nan 0.000 0.479 309 A N 0.341 123.085 122.820 -0.127 0.000 2.318 309 A HA 0.811 5.131 4.320 -0.000 0.000 0.324 309 A C -1.522 176.260 177.584 0.330 0.000 1.170 309 A CA -0.542 51.575 52.037 0.134 0.000 0.810 309 A CB 0.779 19.793 19.000 0.024 0.000 1.198 309 A HN 0.583 nan 8.150 nan 0.000 0.484 310 Y N 0.795 121.356 120.300 0.436 0.000 2.485 310 Y HA 0.661 5.211 4.550 -0.000 0.000 0.345 310 Y C -0.318 175.911 175.900 0.550 0.000 0.998 310 Y CA -1.058 57.353 58.100 0.519 0.000 1.059 310 Y CB 2.008 40.724 38.460 0.428 0.000 1.234 310 Y HN 0.622 nan 8.280 nan 0.000 0.461 311 L N 3.003 124.500 121.223 0.456 0.000 2.346 311 L HA 0.586 4.926 4.340 -0.000 0.000 0.274 311 L C -1.110 175.672 176.870 -0.146 0.000 1.007 311 L CA -0.505 54.370 54.840 0.059 0.000 0.818 311 L CB 1.595 43.315 42.059 -0.565 0.000 1.284 311 L HN 0.699 nan 8.230 nan 0.000 0.424 312 N N 5.174 123.557 118.700 -0.528 0.000 2.573 312 N HA 0.431 5.171 4.740 -0.000 0.000 0.262 312 N C -2.397 172.588 175.510 -0.874 0.000 1.029 312 N CA -1.688 50.783 53.050 -0.965 0.000 0.882 312 N CB 2.391 39.804 38.487 -1.791 0.000 1.204 312 N HN 0.415 nan 8.380 nan 0.000 0.519 313 P HA 0.117 nan 4.420 nan 0.000 0.249 313 P C -0.313 176.477 177.300 -0.851 0.000 1.229 313 P CA 0.374 62.480 63.100 -1.657 0.000 0.788 313 P CB 0.566 31.280 31.700 -1.643 0.000 1.072 314 R N 0.674 120.831 120.500 -0.572 0.000 2.701 314 R HA 0.292 4.632 4.340 -0.000 0.000 0.281 314 R C -2.504 173.607 176.300 -0.316 0.000 1.367 314 R CA -1.555 54.345 56.100 -0.332 0.000 1.510 314 R CB 0.819 30.960 30.300 -0.264 0.000 1.306 314 R HN 0.203 nan 8.270 nan 0.000 0.682 315 P HA 0.061 nan 4.420 nan 0.000 0.269 315 P C -2.224 174.989 177.300 -0.145 0.000 1.209 315 P CA -0.756 62.177 63.100 -0.278 0.000 0.776 315 P CB 0.984 32.545 31.700 -0.232 0.000 0.876 316 P HA 0.168 nan 4.420 nan 0.000 0.262 316 P C 0.143 177.370 177.300 -0.122 0.000 1.651 316 P CA -0.277 62.754 63.100 -0.114 0.000 1.119 316 P CB -0.109 31.595 31.700 0.007 0.000 1.552 317 A N 2.345 125.067 122.820 -0.162 0.000 2.563 317 A HA 0.052 4.372 4.320 -0.000 0.000 0.256 317 A C -1.143 176.372 177.584 -0.116 0.000 1.056 317 A CA -0.319 51.644 52.037 -0.124 0.000 0.775 317 A CB -0.558 18.357 19.000 -0.142 0.000 0.973 317 A HN 0.125 nan 8.150 nan 0.000 0.516 318 P HA -0.201 nan 4.420 nan 0.000 0.218 318 P C 1.362 178.746 177.300 0.141 0.000 1.148 318 P CA 1.556 64.744 63.100 0.145 0.000 0.822 318 P CB 0.200 31.948 31.700 0.079 0.000 0.784 319 E N -0.249 119.966 120.200 0.026 0.000 2.427 319 E HA -0.022 4.328 4.350 -0.000 0.000 0.196 319 E C 1.433 178.018 176.600 -0.025 0.000 1.028 319 E CA 0.955 57.364 56.400 0.015 0.000 0.864 319 E CB -0.792 28.902 29.700 -0.011 0.000 0.813 319 E HN 0.149 nan 8.360 nan 0.000 0.514 320 A N 0.540 123.287 122.820 -0.123 0.000 2.218 320 A HA 0.110 4.430 4.320 -0.000 0.000 0.209 320 A C 0.254 177.690 177.584 -0.247 0.000 1.168 320 A CA -0.545 51.357 52.037 -0.225 0.000 0.804 320 A CB -0.644 18.151 19.000 -0.342 0.000 0.834 320 A HN 0.230 nan 8.150 nan 0.000 0.482 321 W N 1.852 123.092 121.300 -0.100 0.000 2.223 321 W HA 0.290 4.950 4.660 -0.000 0.000 0.334 321 W C 1.197 177.714 176.519 -0.004 0.000 1.334 321 W CA 0.586 57.892 57.345 -0.064 0.000 1.246 321 W CB 0.624 30.037 29.460 -0.078 0.000 1.184 321 W HN 0.324 nan 8.180 nan 0.000 0.563 322 S N 1.948 117.835 115.700 0.311 0.000 2.634 322 S HA 0.301 4.771 4.470 -0.000 0.000 0.261 322 S C -0.031 174.747 174.600 0.298 0.000 1.271 322 S CA -0.897 57.433 58.200 0.216 0.000 0.985 322 S CB 0.788 64.076 63.200 0.147 0.000 0.968 322 S HN 0.555 nan 8.310 nan 0.000 0.568 323 E N 1.888 122.198 120.200 0.184 0.000 2.373 323 E HA 0.301 4.651 4.350 -0.000 0.000 0.263 323 E C -2.106 174.503 176.600 0.014 0.000 1.073 323 E CA -1.829 54.635 56.400 0.106 0.000 0.894 323 E CB 0.242 29.977 29.700 0.059 0.000 1.008 323 E HN 0.545 nan 8.360 nan 0.000 0.420 324 P HA 0.060 nan 4.420 nan 0.000 0.276 324 P C -0.866 176.260 177.300 -0.290 0.000 1.244 324 P CA -0.297 62.453 63.100 -0.585 0.000 0.801 324 P CB 1.090 32.052 31.700 -1.229 0.000 1.006 325 V N 3.849 123.580 119.914 -0.305 0.000 2.483 325 V HA 0.247 4.367 4.120 -0.000 0.000 0.295 325 V C -0.263 175.629 176.094 -0.336 0.000 1.035 325 V CA -1.202 60.890 62.300 -0.347 0.000 0.896 325 V CB 1.305 32.767 31.823 -0.601 0.000 0.986 325 V HN 0.406 nan 8.190 nan 0.000 0.447 326 L N 7.320 128.378 121.223 -0.274 0.000 2.418 326 L HA 0.260 4.600 4.340 -0.000 0.000 0.274 326 L C 0.505 177.201 176.870 -0.291 0.000 1.135 326 L CA 0.707 55.399 54.840 -0.247 0.000 0.870 326 L CB 0.890 42.841 42.059 -0.180 0.000 1.154 326 L HN 0.830 nan 8.230 nan 0.000 0.462 327 L N 5.160 126.187 121.223 -0.325 0.000 2.298 327 L HA 0.259 4.599 4.340 -0.000 0.000 0.209 327 L C 0.662 177.356 176.870 -0.293 0.000 1.084 327 L CA 0.394 55.007 54.840 -0.379 0.000 0.816 327 L CB 0.003 41.785 42.059 -0.461 0.000 0.967 327 L HN 0.774 nan 8.230 nan 0.000 0.460 328 A N 0.069 122.724 122.820 -0.275 0.000 2.488 328 A HA 0.519 4.839 4.320 -0.000 0.000 0.295 328 A C -1.048 176.455 177.584 -0.135 0.000 1.045 328 A CA -0.688 51.239 52.037 -0.184 0.000 0.703 328 A CB 1.110 19.977 19.000 -0.222 0.000 1.271 328 A HN -0.026 nan 8.150 nan 0.000 0.400 329 K N 1.075 121.426 120.400 -0.080 0.000 2.118 329 K HA 0.703 5.023 4.320 -0.000 0.000 0.264 329 K C 0.711 177.283 176.600 -0.046 0.000 1.000 329 K CA 0.513 56.761 56.287 -0.064 0.000 0.929 329 K CB 1.252 33.721 32.500 -0.051 0.000 1.021 329 K HN 1.934 nan 8.250 nan 0.000 0.463 330 G N 0.603 109.373 108.800 -0.051 0.000 2.627 330 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.214 330 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.214 330 G C -0.493 174.362 174.900 -0.074 0.000 1.331 330 G CA -0.441 44.625 45.100 -0.056 0.000 0.891 330 G HN 0.559 nan 8.290 nan 0.000 0.539 331 S N -0.586 115.063 115.700 -0.086 0.000 2.544 331 S HA 0.443 4.912 4.470 -0.000 0.000 0.290 331 S C 0.543 175.092 174.600 -0.084 0.000 1.276 331 S CA 0.930 59.056 58.200 -0.123 0.000 1.075 331 S CB -1.341 61.769 63.200 -0.151 0.000 0.849 331 S HN 2.214 nan 8.310 nan 0.000 0.494 332 C N 3.537 122.779 119.300 -0.097 0.000 2.891 332 C HA 0.926 5.386 4.460 -0.000 0.000 0.342 332 C C 0.345 175.310 174.990 -0.041 0.000 1.126 332 C CA -0.188 58.823 59.018 -0.012 0.000 1.322 332 C CB 0.677 28.400 27.740 -0.030 0.000 1.763 332 C HN 1.020 nan 8.230 nan 0.000 0.491 333 A N 1.551 124.397 122.820 0.043 0.000 3.251 333 A HA 0.813 5.133 4.320 -0.000 0.000 0.194 333 A C -0.606 177.111 177.584 0.222 0.000 1.365 333 A CA -0.263 51.849 52.037 0.125 0.000 1.543 333 A CB -0.533 18.614 19.000 0.246 0.000 1.626 333 A HN 0.900 nan 8.150 nan 0.000 0.563 334 Y N 1.535 121.884 120.300 0.081 0.000 2.683 334 Y HA 0.367 4.917 4.550 -0.000 0.000 0.340 334 Y C 1.158 177.137 175.900 0.131 0.000 1.245 334 Y CA 0.269 58.420 58.100 0.086 0.000 1.485 334 Y CB 0.260 38.792 38.460 0.121 0.000 1.328 334 Y HN 0.640 nan 8.280 nan 0.000 0.603 335 S N 0.734 116.579 115.700 0.241 0.000 2.607 335 S HA 0.685 5.155 4.470 -0.000 0.000 0.273 335 S C -1.772 172.970 174.600 0.236 0.000 1.148 335 S CA -1.000 57.348 58.200 0.247 0.000 0.833 335 S CB 3.016 66.315 63.200 0.163 0.000 1.130 335 S HN 0.468 nan 8.310 nan 0.000 0.470 336 D N -0.123 120.447 120.400 0.284 0.000 2.947 336 D HA 0.604 5.244 4.640 -0.000 0.000 0.224 336 D C -1.381 175.103 176.300 0.307 0.000 1.230 336 D CA -0.336 53.858 54.000 0.324 0.000 0.871 336 D CB 1.611 42.635 40.800 0.373 0.000 1.671 336 D HN 0.648 nan 8.370 nan 0.000 0.507 337 L N 2.285 123.673 121.223 0.275 0.000 2.330 337 L HA 0.637 4.977 4.340 -0.000 0.000 0.271 337 L C -0.376 176.538 176.870 0.073 0.000 1.013 337 L CA -0.763 54.195 54.840 0.195 0.000 0.816 337 L CB 1.830 43.997 42.059 0.180 0.000 1.287 337 L HN 0.248 nan 8.230 nan 0.000 0.435 338 Q N 1.033 120.906 119.800 0.122 0.000 2.309 338 Q HA 0.326 4.666 4.340 -0.000 0.000 0.273 338 Q C -1.098 174.951 176.000 0.082 0.000 1.040 338 Q CA -0.565 55.284 55.803 0.076 0.000 0.834 338 Q CB 2.553 31.381 28.738 0.149 0.000 1.345 338 Q HN 0.744 nan 8.270 nan 0.000 0.414 339 S N 1.002 116.731 115.700 0.048 0.000 2.584 339 S HA 0.610 5.080 4.470 -0.000 0.000 0.273 339 S C 0.482 174.786 174.600 -0.494 0.000 1.311 339 S CA -0.487 57.633 58.200 -0.133 0.000 1.034 339 S CB 0.716 63.912 63.200 -0.007 0.000 0.939 339 S HN 0.656 nan 8.310 nan 0.000 0.513 340 M N 2.358 121.482 119.600 -0.792 0.000 2.911 340 M HA 0.370 4.850 4.480 -0.000 0.000 0.381 340 M C 0.852 176.600 176.300 -0.920 0.000 1.287 340 M CA -0.039 54.432 55.300 -1.383 0.000 0.858 340 M CB 0.340 32.289 32.600 -1.084 0.000 1.385 340 M HN 1.191 nan 8.290 nan 0.000 0.504 341 G N 0.759 109.229 108.800 -0.550 0.000 2.512 341 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.240 341 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.240 341 G C -0.450 174.247 174.900 -0.338 0.000 1.246 341 G CA -0.581 44.338 45.100 -0.302 0.000 0.919 341 G HN 0.293 nan 8.290 nan 0.000 0.577 342 T N 1.375 115.790 114.554 -0.233 0.000 2.799 342 T HA 0.627 4.977 4.350 -0.000 0.000 0.286 342 T C 0.971 175.546 174.700 -0.208 0.000 0.973 342 T CA 0.567 62.544 62.100 -0.205 0.000 1.035 342 T CB 1.371 70.175 68.868 -0.107 0.000 0.932 342 T HN 1.425 nan 8.240 nan 0.000 0.469 343 G N 2.608 111.277 108.800 -0.219 0.000 2.562 343 G HA2 0.366 4.326 3.960 -0.000 0.000 0.275 343 G HA3 0.366 4.326 3.960 -0.000 0.000 0.275 343 G C -1.566 173.285 174.900 -0.081 0.000 1.196 343 G CA -1.484 43.519 45.100 -0.161 0.000 0.908 343 G HN 0.407 nan 8.290 nan 0.000 0.524 344 P HA -0.071 nan 4.420 nan 0.000 0.219 344 P C 0.989 178.233 177.300 -0.093 0.000 1.146 344 P CA 1.462 64.518 63.100 -0.074 0.000 0.808 344 P CB 0.164 31.759 31.700 -0.175 0.000 0.779 345 D N -2.439 117.899 120.400 -0.104 0.000 2.340 345 D HA 0.119 4.759 4.640 -0.000 0.000 0.220 345 D C 1.453 177.700 176.300 -0.088 0.000 1.039 345 D CA 0.599 54.537 54.000 -0.102 0.000 0.866 345 D CB -0.800 39.924 40.800 -0.126 0.000 0.913 345 D HN 0.215 nan 8.370 nan 0.000 0.523 346 G N -0.175 108.579 108.800 -0.077 0.000 2.213 346 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.236 346 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.236 346 G C 0.421 175.295 174.900 -0.042 0.000 0.991 346 G CA 0.332 45.405 45.100 -0.046 0.000 0.629 346 G HN 0.857 nan 8.290 nan 0.000 0.517 347 S N 0.225 115.866 115.700 -0.097 0.000 2.687 347 S HA 0.772 5.242 4.470 -0.000 0.000 0.283 347 S C -2.614 171.894 174.600 -0.153 0.000 1.170 347 S CA -1.505 56.653 58.200 -0.070 0.000 1.008 347 S CB 2.404 65.482 63.200 -0.203 0.000 1.026 347 S HN 0.068 nan 8.310 nan 0.000 0.541 348 P HA 0.145 nan 4.420 nan 0.000 0.264 348 P C -0.876 175.939 177.300 -0.807 0.000 1.183 348 P CA -0.125 62.678 63.100 -0.495 0.000 0.763 348 P CB 0.191 31.569 31.700 -0.536 0.000 0.807 349 L N 5.344 126.033 121.223 -0.890 0.000 2.325 349 L HA 0.598 4.938 4.340 -0.000 0.000 0.279 349 L C -1.104 175.044 176.870 -1.203 0.000 1.054 349 L CA -0.024 54.316 54.840 -0.832 0.000 0.804 349 L CB 0.047 41.750 42.059 -0.594 0.000 1.200 349 L HN 0.167 nan 8.230 nan 0.000 0.436 350 F N 2.157 121.753 119.950 -0.591 0.000 2.576 350 F HA 0.763 5.290 4.527 -0.000 0.000 0.313 350 F C 0.587 176.047 175.800 -0.567 0.000 1.078 350 F CA -0.659 56.954 58.000 -0.645 0.000 0.921 350 F CB 2.208 40.650 39.000 -0.930 0.000 1.232 350 F HN 0.546 nan 8.300 nan 0.000 0.459 351 G N 0.125 108.890 108.800 -0.058 0.000 2.495 351 G HA2 0.551 4.511 3.960 -0.000 0.000 0.318 351 G HA3 0.551 4.511 3.960 -0.000 0.000 0.318 351 G C -2.025 172.990 174.900 0.190 0.000 1.257 351 G CA -0.788 44.380 45.100 0.112 0.000 0.962 351 G HN 0.886 nan 8.290 nan 0.000 0.483 352 C N 3.182 122.586 119.300 0.172 0.000 2.535 352 C HA 0.759 5.219 4.460 -0.000 0.000 0.319 352 C C -1.170 174.048 174.990 0.380 0.000 1.171 352 C CA -0.773 58.427 59.018 0.302 0.000 1.394 352 C CB 0.595 28.542 27.740 0.345 0.000 1.990 352 C HN 0.712 nan 8.230 nan 0.000 0.466 353 L N 7.266 128.740 121.223 0.418 0.000 2.325 353 L HA 0.788 5.128 4.340 -0.000 0.000 0.281 353 L C -0.721 176.370 176.870 0.367 0.000 1.004 353 L CA -0.039 55.026 54.840 0.375 0.000 0.823 353 L CB 1.183 43.459 42.059 0.363 0.000 1.236 353 L HN 0.781 nan 8.230 nan 0.000 0.415 354 Y N 1.066 121.464 120.300 0.162 0.000 2.562 354 Y HA 0.665 5.215 4.550 -0.000 0.000 0.345 354 Y C -0.768 175.197 175.900 0.108 0.000 1.045 354 Y CA -1.186 56.992 58.100 0.129 0.000 1.028 354 Y CB 1.027 39.535 38.460 0.079 0.000 1.297 354 Y HN 0.563 nan 8.280 nan 0.000 0.463 355 E N 1.854 122.177 120.200 0.204 0.000 2.338 355 E HA 0.609 4.959 4.350 -0.000 0.000 0.272 355 E C -0.771 175.869 176.600 0.066 0.000 1.029 355 E CA -0.342 56.113 56.400 0.092 0.000 0.872 355 E CB 1.251 31.047 29.700 0.161 0.000 1.015 355 E HN 0.806 nan 8.360 nan 0.000 0.417 356 A N 3.110 125.899 122.820 -0.052 0.000 2.569 356 A HA 0.510 4.830 4.320 -0.000 0.000 0.290 356 A C -0.385 177.148 177.584 -0.085 0.000 1.136 356 A CA -0.733 51.285 52.037 -0.032 0.000 0.710 356 A CB 1.263 20.266 19.000 0.005 0.000 1.303 356 A HN 0.660 nan 8.150 nan 0.000 0.413 357 N N 0.347 119.001 118.700 -0.076 0.000 2.671 357 N HA -0.173 4.567 4.740 -0.000 0.000 0.261 357 N C -0.179 175.285 175.510 -0.076 0.000 1.053 357 N CA 1.801 54.811 53.050 -0.067 0.000 0.732 357 N CB -1.043 37.422 38.487 -0.036 0.000 0.887 357 N HN 1.128 nan 8.380 nan 0.000 0.546 358 D N 0.291 120.584 120.400 -0.178 0.000 2.689 358 D HA -0.276 4.363 4.640 -0.000 0.000 0.237 358 D C -0.378 175.960 176.300 0.064 0.000 1.148 358 D CA 1.761 55.673 54.000 -0.147 0.000 0.656 358 D CB -1.386 39.452 40.800 0.063 0.000 1.050 358 D HN 0.694 nan 8.370 nan 0.000 0.426 359 Y N -2.680 117.687 120.300 0.112 0.000 4.409 359 Y HA -0.299 4.251 4.550 -0.000 0.000 0.228 359 Y C 1.501 177.481 175.900 0.134 0.000 1.108 359 Y CA 1.136 59.314 58.100 0.130 0.000 1.955 359 Y CB -2.202 36.339 38.460 0.134 0.000 1.615 359 Y HN 0.445 nan 8.280 nan 0.000 0.665 360 E N 0.774 121.043 120.200 0.116 0.000 2.478 360 E HA 0.041 4.391 4.350 -0.000 0.000 0.194 360 E C 0.861 177.482 176.600 0.034 0.000 1.045 360 E CA 0.876 57.274 56.400 -0.003 0.000 0.868 360 E CB 0.331 29.994 29.700 -0.061 0.000 0.885 360 E HN 0.756 nan 8.360 nan 0.000 0.505 361 E N -0.139 120.089 120.200 0.046 0.000 2.429 361 E HA 0.392 4.742 4.350 -0.000 0.000 0.280 361 E C -1.174 175.430 176.600 0.005 0.000 1.068 361 E CA -0.708 55.714 56.400 0.037 0.000 0.837 361 E CB 1.046 30.731 29.700 -0.025 0.000 1.357 361 E HN -0.115 nan 8.360 nan 0.000 0.455 362 I N 1.692 122.268 120.570 0.010 0.000 2.418 362 I HA 0.350 4.520 4.170 -0.000 0.000 0.287 362 I C -0.827 175.196 176.117 -0.157 0.000 1.008 362 I CA -1.177 60.107 61.300 -0.027 0.000 1.104 362 I CB 1.939 40.041 38.000 0.170 0.000 1.264 362 I HN 0.323 nan 8.210 nan 0.000 0.438 363 V N 6.264 125.933 119.914 -0.407 0.000 2.547 363 V HA 0.356 4.476 4.120 -0.000 0.000 0.299 363 V C -0.535 175.442 176.094 -0.196 0.000 1.040 363 V CA -0.689 61.361 62.300 -0.416 0.000 0.913 363 V CB 1.904 33.294 31.823 -0.721 0.000 0.992 363 V HN 0.443 nan 8.190 nan 0.000 0.449 364 F N 5.358 125.218 119.950 -0.150 0.000 2.420 364 F HA 0.675 5.202 4.527 -0.000 0.000 0.342 364 F C -0.738 175.177 175.800 0.192 0.000 1.113 364 F CA -0.754 57.272 58.000 0.044 0.000 1.059 364 F CB 0.855 39.872 39.000 0.028 0.000 1.128 364 F HN 0.301 nan 8.300 nan 0.000 0.475 365 L N 7.838 128.743 121.223 -0.530 0.000 2.385 365 L HA 0.541 4.881 4.340 -0.000 0.000 0.273 365 L C -1.195 175.322 176.870 -0.588 0.000 0.990 365 L CA -0.856 53.795 54.840 -0.315 0.000 0.821 365 L CB 2.087 44.227 42.059 0.135 0.000 1.279 365 L HN 0.799 nan 8.230 nan 0.000 0.412 366 M N 5.511 124.920 119.600 -0.319 0.000 2.259 366 M HA 0.569 5.049 4.480 -0.000 0.000 0.304 366 M C -1.705 174.659 176.300 0.107 0.000 1.019 366 M CA -0.459 54.732 55.300 -0.181 0.000 0.922 366 M CB 1.629 34.211 32.600 -0.031 0.000 1.600 366 M HN 0.457 nan 8.290 nan 0.000 0.433 367 F N 0.711 120.662 119.950 0.001 0.000 2.711 367 F HA 0.871 5.398 4.527 -0.000 0.000 0.313 367 F C -0.905 174.939 175.800 0.073 0.000 1.141 367 F CA -0.796 57.223 58.000 0.031 0.000 0.941 367 F CB 0.914 39.924 39.000 0.017 0.000 1.349 367 F HN 0.560 nan 8.300 nan 0.000 0.464 368 T N -0.768 113.901 114.554 0.193 0.000 2.948 368 T HA 0.425 4.775 4.350 -0.000 0.000 0.285 368 T C 0.392 175.289 174.700 0.328 0.000 1.019 368 T CA -0.602 61.542 62.100 0.073 0.000 1.013 368 T CB 1.747 70.584 68.868 -0.051 0.000 1.117 368 T HN 0.919 nan 8.240 nan 0.000 0.533 369 L N 0.707 122.113 121.223 0.305 0.000 2.131 369 L HA 0.146 4.486 4.340 -0.000 0.000 0.210 369 L C 2.598 179.680 176.870 0.354 0.000 1.092 369 L CA 1.817 56.967 54.840 0.516 0.000 0.759 369 L CB -0.780 41.600 42.059 0.535 0.000 0.903 369 L HN 0.895 nan 8.230 nan 0.000 0.435 370 K N -1.191 119.166 120.400 -0.072 0.000 2.097 370 K HA -0.182 4.138 4.320 -0.000 0.000 0.205 370 K C 2.025 178.599 176.600 -0.043 0.000 1.050 370 K CA 1.443 57.513 56.287 -0.362 0.000 0.938 370 K CB -0.017 32.033 32.500 -0.751 0.000 0.718 370 K HN 0.496 nan 8.250 nan 0.000 0.442 371 Q N -0.390 119.423 119.800 0.021 0.000 2.049 371 Q HA -0.078 4.262 4.340 -0.000 0.000 0.198 371 Q C 2.109 178.104 176.000 -0.009 0.000 0.971 371 Q CA 1.409 57.229 55.803 0.028 0.000 0.833 371 Q CB -0.052 28.731 28.738 0.074 0.000 0.896 371 Q HN 0.385 nan 8.270 nan 0.000 0.434 372 A N 0.132 122.967 122.820 0.026 0.000 1.929 372 A HA -0.036 4.284 4.320 -0.000 0.000 0.216 372 A C 0.531 177.778 177.584 -0.562 0.000 1.176 372 A CA 0.846 52.702 52.037 -0.301 0.000 0.628 372 A CB 0.087 18.934 19.000 -0.256 0.000 0.816 372 A HN 0.292 nan 8.150 nan 0.000 0.444 373 F N -0.312 119.745 119.950 0.177 0.000 2.523 373 F HA 0.305 4.832 4.527 -0.000 0.000 0.322 373 F C -1.654 174.305 175.800 0.266 0.000 1.361 373 F CA -1.985 56.140 58.000 0.208 0.000 1.151 373 F CB 1.303 40.471 39.000 0.279 0.000 1.391 373 F HN 0.082 nan 8.300 nan 0.000 0.566 374 P HA -0.261 nan 4.420 nan 0.000 0.217 374 P C 1.549 179.027 177.300 0.296 0.000 1.148 374 P CA 1.627 64.879 63.100 0.254 0.000 0.828 374 P CB 0.328 32.101 31.700 0.121 0.000 0.783 375 A N 0.464 123.436 122.820 0.253 0.000 2.024 375 A HA -0.199 4.120 4.320 -0.000 0.000 0.220 375 A C 2.257 179.959 177.584 0.198 0.000 1.164 375 A CA 1.908 54.064 52.037 0.197 0.000 0.643 375 A CB -1.209 17.892 19.000 0.169 0.000 0.806 375 A HN 0.166 nan 8.150 nan 0.000 0.451 376 E N -1.505 118.862 120.200 0.279 0.000 2.418 376 E HA 0.009 4.359 4.350 -0.000 0.000 0.197 376 E C -0.270 176.224 176.600 -0.176 0.000 1.026 376 E CA 0.583 57.050 56.400 0.112 0.000 0.862 376 E CB -0.205 29.626 29.700 0.217 0.000 0.799 376 E HN 0.653 nan 8.360 nan 0.000 0.518 377 Y N 0.000 120.385 120.300 0.141 0.000 2.660 377 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 377 Y CA 0.000 58.161 58.100 0.102 0.000 1.940 377 Y CB 0.000 38.518 38.460 0.097 0.000 1.050 377 Y HN 0.000 nan 8.280 nan 0.000 0.758