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 3bnm_1_B DATA FIRST_RESID 8 DATA SEQUENCE KKKVIIIGAG IAGLKAASTL HQNGIQDCLV LEARDRVGGR LQTVTGYQGR DATA SEQUENCE KYDIGASWHH DTLTNPLFLE EAQLSLNDGR TRFVFDDDNF IYIDEERGRV DATA SEQUENCE DHDKELLLEI VDNEMSKFAE LEFHQHLGVS DCSFFQLVMK YLLQRRQFLT DATA SEQUENCE NDQIRYLPQL CRYLELWHGL DWKLLSAKDT YFGHQGRNAF ALNYDSVVQR DATA SEQUENCE IAQSFPQNWL KLScEVKSIT REPSKNVTVN cEDGTVYNAD YVIITVPQSV DATA SEQUENCE LNLSVQPEKN LRGRIEFQPP LKPVIQDAFD KIHFGALGKV IFEFEECCWS DATA SEQUENCE NESSKIVTLA NSTNEFVEIV RNAENLDELD SMLEREXXXX XTSVTCWSQP DATA SEQUENCE LFFVNLSKST GVASFMMLMQ APLTNHIESI REDKERLFSF FQPVLNKIMK DATA SEQUENCE CLDSEDVIDG MRPIENIANA NKPVLRNIIV SNWTRDPYSR GAYSACFPGD DATA SEQUENCE DPVDMVVAMS NGQDSRIRFA GEHTIMDGAG CAYGAWESGR REATRISDLL DATA SEQUENCE KLEH 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 8 K HA 0.000 nan 4.320 nan 0.000 0.191 8 K C 0.000 176.596 176.600 -0.006 0.000 0.988 8 K CA 0.000 56.289 56.287 0.004 0.000 0.838 8 K CB 0.000 32.507 32.500 0.012 0.000 1.064 9 K N 1.413 121.802 120.400 -0.018 0.000 2.164 9 K HA 0.481 4.801 4.320 -0.000 0.000 0.258 9 K C 0.149 176.717 176.600 -0.054 0.000 0.951 9 K CA -0.831 55.419 56.287 -0.062 0.000 0.844 9 K CB 1.898 34.338 32.500 -0.101 0.000 1.099 9 K HN -0.001 nan 8.250 nan 0.000 0.435 10 K N 0.486 120.841 120.400 -0.075 0.000 2.001 10 K HA 0.021 4.341 4.320 -0.000 0.000 0.208 10 K C 0.698 177.292 176.600 -0.011 0.000 1.048 10 K CA 1.064 57.337 56.287 -0.024 0.000 0.932 10 K CB 0.087 32.553 32.500 -0.056 0.000 0.715 10 K HN 0.337 nan 8.250 nan 0.000 0.437 11 V N 1.451 121.282 119.914 -0.138 0.000 2.760 11 V HA 0.383 4.503 4.120 -0.000 0.000 0.309 11 V C -0.463 175.489 176.094 -0.237 0.000 1.077 11 V CA -0.731 61.483 62.300 -0.142 0.000 0.910 11 V CB 2.412 34.124 31.823 -0.185 0.000 1.008 11 V HN 0.035 nan 8.190 nan 0.000 0.424 12 I N 5.085 125.547 120.570 -0.180 0.000 2.382 12 I HA 0.475 4.644 4.170 -0.000 0.000 0.286 12 I C -0.643 175.360 176.117 -0.190 0.000 1.002 12 I CA -0.342 60.823 61.300 -0.225 0.000 1.135 12 I CB 1.609 39.489 38.000 -0.201 0.000 1.288 12 I HN 0.455 nan 8.210 nan 0.000 0.448 13 I N 7.250 127.693 120.570 -0.211 0.000 2.315 13 I HA 0.345 4.514 4.170 -0.000 0.000 0.291 13 I C -0.056 175.984 176.117 -0.128 0.000 1.006 13 I CA -0.438 60.770 61.300 -0.153 0.000 1.265 13 I CB 1.186 39.093 38.000 -0.154 0.000 1.387 13 I HN 0.369 nan 8.210 nan 0.000 0.475 14 I N 6.093 126.609 120.570 -0.090 0.000 2.304 14 I HA 0.512 4.682 4.170 -0.000 0.000 0.291 14 I C 0.536 176.638 176.117 -0.024 0.000 1.018 14 I CA -0.182 61.078 61.300 -0.068 0.000 1.260 14 I CB 1.049 39.017 38.000 -0.053 0.000 1.390 14 I HN 0.825 nan 8.210 nan 0.000 0.475 15 G N 4.480 113.263 108.800 -0.028 0.000 3.225 15 G HA2 0.094 4.054 3.960 -0.000 0.000 0.686 15 G HA3 0.094 4.054 3.960 -0.000 0.000 0.686 15 G C -0.348 174.565 174.900 0.021 0.000 1.105 15 G CA -0.337 44.764 45.100 0.002 0.000 0.831 15 G HN 0.916 nan 8.290 nan 0.000 0.578 16 A N 1.683 124.525 122.820 0.036 0.000 2.842 16 A HA 0.776 5.096 4.320 -0.000 0.000 0.298 16 A C 1.380 179.021 177.584 0.096 0.000 1.293 16 A CA 1.113 53.196 52.037 0.078 0.000 0.959 16 A CB -0.218 18.835 19.000 0.088 0.000 1.119 16 A HN 2.124 nan 8.150 nan 0.000 0.564 17 G N -0.778 108.074 108.800 0.087 0.000 2.535 17 G HA2 0.358 4.317 3.960 -0.000 0.000 0.282 17 G HA3 0.358 4.317 3.960 -0.000 0.000 0.282 17 G C 0.998 175.971 174.900 0.121 0.000 1.350 17 G CA -0.168 44.987 45.100 0.092 0.000 1.039 17 G HN 0.362 nan 8.290 nan 0.000 0.509 18 I N -0.183 120.465 120.570 0.130 0.000 2.361 18 I HA -0.140 4.030 4.170 -0.000 0.000 0.251 18 I C 2.772 179.003 176.117 0.190 0.000 1.133 18 I CA 1.755 63.174 61.300 0.199 0.000 1.413 18 I CB 0.001 38.145 38.000 0.239 0.000 1.073 18 I HN 0.455 nan 8.210 nan 0.000 0.424 19 A N 0.506 123.409 122.820 0.138 0.000 1.841 19 A HA -0.101 4.219 4.320 -0.000 0.000 0.214 19 A C 2.388 180.007 177.584 0.059 0.000 1.195 19 A CA 1.648 53.742 52.037 0.096 0.000 0.611 19 A CB -1.670 17.386 19.000 0.093 0.000 0.835 19 A HN 0.475 nan 8.150 nan 0.000 0.443 20 G N -0.225 108.614 108.800 0.066 0.000 2.440 20 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.218 20 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.218 20 G C 1.575 176.506 174.900 0.052 0.000 1.154 20 G CA 1.132 46.254 45.100 0.037 0.000 0.767 20 G HN 0.420 nan 8.290 nan 0.000 0.552 21 L N -0.134 121.168 121.223 0.133 0.000 2.046 21 L HA -0.029 4.311 4.340 -0.000 0.000 0.208 21 L C 2.884 179.885 176.870 0.218 0.000 1.077 21 L CA 1.114 56.103 54.840 0.249 0.000 0.747 21 L CB -0.357 41.877 42.059 0.291 0.000 0.896 21 L HN 0.068 nan 8.230 nan 0.000 0.432 22 K N 0.720 121.189 120.400 0.115 0.000 2.057 22 K HA -0.136 4.184 4.320 -0.000 0.000 0.207 22 K C 2.088 178.651 176.600 -0.061 0.000 1.049 22 K CA 1.607 57.880 56.287 -0.022 0.000 0.931 22 K CB -0.274 32.044 32.500 -0.303 0.000 0.714 22 K HN 0.259 nan 8.250 nan 0.000 0.440 23 A N 1.062 123.845 122.820 -0.063 0.000 1.851 23 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 23 A C 2.417 179.971 177.584 -0.049 0.000 1.195 23 A CA 2.686 54.676 52.037 -0.077 0.000 0.622 23 A CB -1.023 17.932 19.000 -0.076 0.000 0.831 23 A HN 0.392 nan 8.150 nan 0.000 0.444 24 A N -0.811 121.959 122.820 -0.082 0.000 1.940 24 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 24 A C 2.510 180.107 177.584 0.022 0.000 1.176 24 A CA 2.427 54.372 52.037 -0.154 0.000 0.631 24 A CB -1.002 17.597 19.000 -0.669 0.000 0.814 24 A HN 0.721 nan 8.150 nan 0.000 0.446 25 S N -1.157 114.645 115.700 0.171 0.000 2.382 25 S HA -0.141 4.329 4.470 -0.000 0.000 0.228 25 S C 2.030 176.739 174.600 0.181 0.000 1.027 25 S CA 2.221 60.620 58.200 0.332 0.000 0.991 25 S CB -0.609 62.772 63.200 0.302 0.000 0.823 25 S HN 0.589 nan 8.310 nan 0.000 0.469 26 T N 2.661 117.256 114.554 0.070 0.000 2.777 26 T HA 0.088 4.438 4.350 -0.000 0.000 0.266 26 T C 1.729 176.454 174.700 0.041 0.000 1.040 26 T CA 1.341 63.448 62.100 0.011 0.000 1.141 26 T CB -0.383 68.439 68.868 -0.076 0.000 0.868 26 T HN 0.306 nan 8.240 nan 0.000 0.444 27 L N 0.218 121.487 121.223 0.075 0.000 1.970 27 L HA -0.185 4.155 4.340 -0.000 0.000 0.212 27 L C 2.572 179.561 176.870 0.197 0.000 1.071 27 L CA 1.907 56.810 54.840 0.106 0.000 0.751 27 L CB -0.651 41.476 42.059 0.113 0.000 0.889 27 L HN 0.338 nan 8.230 nan 0.000 0.432 28 H N 0.021 119.213 119.070 0.204 0.000 2.319 28 H HA -0.278 4.278 4.556 -0.000 0.000 0.297 28 H C 2.276 177.632 175.328 0.047 0.000 1.097 28 H CA 2.282 58.392 56.048 0.102 0.000 1.285 28 H CB -0.147 29.551 29.762 -0.106 0.000 1.368 28 H HN 0.295 nan 8.280 nan 0.000 0.495 29 Q N -0.290 119.490 119.800 -0.033 0.000 2.248 29 Q HA -0.158 4.182 4.340 -0.000 0.000 0.208 29 Q C 0.577 176.515 176.000 -0.103 0.000 0.984 29 Q CA 1.616 57.361 55.803 -0.097 0.000 0.875 29 Q CB 0.043 28.779 28.738 -0.003 0.000 0.910 29 Q HN 0.506 nan 8.270 nan 0.000 0.433 30 N N -0.909 117.755 118.700 -0.060 0.000 2.295 30 N HA 0.121 4.861 4.740 -0.000 0.000 0.221 30 N C 0.372 175.853 175.510 -0.047 0.000 1.129 30 N CA 0.814 53.834 53.050 -0.050 0.000 0.836 30 N CB 0.973 39.438 38.487 -0.037 0.000 1.040 30 N HN 0.419 nan 8.380 nan 0.000 0.494 31 G N 0.355 109.108 108.800 -0.079 0.000 2.184 31 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.264 31 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.264 31 G C 0.136 175.055 174.900 0.031 0.000 0.975 31 G CA -0.164 44.909 45.100 -0.046 0.000 0.642 31 G HN 0.260 nan 8.290 nan 0.000 0.536 32 I N 1.183 121.793 120.570 0.066 0.000 2.529 32 I HA 0.306 4.476 4.170 -0.000 0.000 0.284 32 I C 0.831 177.084 176.117 0.227 0.000 1.082 32 I CA 0.236 61.593 61.300 0.095 0.000 1.406 32 I CB 0.638 38.663 38.000 0.042 0.000 1.405 32 I HN 0.352 nan 8.210 nan 0.000 0.548 33 Q N 3.615 123.526 119.800 0.186 0.000 2.572 33 Q HA 0.363 4.703 4.340 -0.000 0.000 0.284 33 Q C -0.831 175.237 176.000 0.114 0.000 1.091 33 Q CA -0.894 55.083 55.803 0.290 0.000 0.840 33 Q CB 1.738 30.613 28.738 0.229 0.000 1.433 33 Q HN 0.509 nan 8.270 nan 0.000 0.471 34 D N 0.077 120.551 120.400 0.122 0.000 2.760 34 D HA -0.137 4.503 4.640 -0.000 0.000 0.244 34 D C -1.144 174.930 176.300 -0.376 0.000 1.123 34 D CA 0.482 54.437 54.000 -0.075 0.000 0.719 34 D CB -1.350 39.437 40.800 -0.022 0.000 1.045 34 D HN 0.392 nan 8.370 nan 0.000 0.426 35 C N 0.557 119.275 119.300 -0.970 0.000 2.707 35 C HA 0.802 5.262 4.460 -0.000 0.000 0.313 35 C C 0.639 174.854 174.990 -1.292 0.000 1.209 35 C CA -0.739 57.536 59.018 -1.237 0.000 1.635 35 C CB 2.087 28.852 27.740 -1.624 0.000 2.206 35 C HN 0.330 nan 8.230 nan 0.000 0.485 36 L N 1.296 122.086 121.223 -0.722 0.000 2.279 36 L HA 0.874 5.214 4.340 -0.000 0.000 0.262 36 L C -0.999 175.666 176.870 -0.341 0.000 1.019 36 L CA -0.778 53.788 54.840 -0.456 0.000 0.823 36 L CB 1.800 43.623 42.059 -0.393 0.000 1.358 36 L HN 0.314 nan 8.230 nan 0.000 0.432 37 V N 2.645 122.438 119.914 -0.203 0.000 2.498 37 V HA 0.301 4.421 4.120 -0.000 0.000 0.283 37 V C -0.462 175.567 176.094 -0.109 0.000 1.015 37 V CA -0.310 61.911 62.300 -0.131 0.000 0.867 37 V CB 1.661 33.466 31.823 -0.031 0.000 1.025 37 V HN 0.444 nan 8.190 nan 0.000 0.441 38 L N 3.679 124.810 121.223 -0.153 0.000 2.255 38 L HA 0.665 5.005 4.340 -0.000 0.000 0.289 38 L C -0.052 176.761 176.870 -0.094 0.000 1.046 38 L CA -0.262 54.492 54.840 -0.144 0.000 0.816 38 L CB 1.265 43.200 42.059 -0.206 0.000 1.197 38 L HN 0.550 nan 8.230 nan 0.000 0.427 39 E N 2.200 122.356 120.200 -0.074 0.000 2.171 39 E HA 0.496 4.846 4.350 -0.000 0.000 0.271 39 E C 0.294 176.809 176.600 -0.142 0.000 0.916 39 E CA -0.296 56.052 56.400 -0.086 0.000 0.774 39 E CB 2.085 31.763 29.700 -0.037 0.000 1.128 39 E HN 0.550 nan 8.360 nan 0.000 0.403 40 A N 5.466 128.125 122.820 -0.268 0.000 1.898 40 A HA -0.014 4.306 4.320 -0.000 0.000 0.216 40 A C 1.100 178.459 177.584 -0.375 0.000 1.181 40 A CA 0.899 52.676 52.037 -0.433 0.000 0.620 40 A CB -0.222 18.205 19.000 -0.955 0.000 0.819 40 A HN 0.610 nan 8.150 nan 0.000 0.442 41 R N 0.046 120.344 120.500 -0.336 0.000 2.822 41 R HA 0.189 4.529 4.340 -0.000 0.000 0.277 41 R C -0.172 176.109 176.300 -0.032 0.000 1.102 41 R CA 0.414 56.454 56.100 -0.101 0.000 1.207 41 R CB 0.028 30.324 30.300 -0.007 0.000 1.139 41 R HN 0.535 nan 8.270 nan 0.000 0.557 42 D N -0.253 120.157 120.400 0.016 0.000 2.460 42 D HA 0.049 4.689 4.640 -0.000 0.000 0.229 42 D C -0.090 176.226 176.300 0.026 0.000 1.170 42 D CA -0.294 53.718 54.000 0.020 0.000 0.827 42 D CB 0.030 40.847 40.800 0.028 0.000 0.973 42 D HN 0.442 nan 8.370 nan 0.000 0.496 43 R N -1.479 119.038 120.500 0.029 0.000 2.733 43 R HA 0.616 4.955 4.340 -0.000 0.000 0.272 43 R C -0.914 175.415 176.300 0.048 0.000 1.029 43 R CA -1.091 55.033 56.100 0.040 0.000 0.888 43 R CB 0.902 31.231 30.300 0.048 0.000 1.251 43 R HN -0.070 nan 8.270 nan 0.000 0.464 44 V N -2.095 117.854 119.914 0.059 0.000 3.406 44 V HA 0.877 4.997 4.120 -0.000 0.000 0.305 44 V C 0.946 177.091 176.094 0.086 0.000 1.136 44 V CA 0.331 62.676 62.300 0.074 0.000 1.011 44 V CB 0.748 32.622 31.823 0.085 0.000 1.221 44 V HN 1.226 nan 8.190 nan 0.000 0.454 45 G N -1.340 107.517 108.800 0.095 0.000 2.313 45 G HA2 0.098 4.058 3.960 -0.000 0.000 0.215 45 G HA3 0.098 4.058 3.960 -0.000 0.000 0.215 45 G C 1.744 176.698 174.900 0.090 0.000 1.023 45 G CA 0.805 45.963 45.100 0.096 0.000 0.626 45 G HN 2.711 nan 8.290 nan 0.000 0.503 46 G N 0.464 109.328 108.800 0.107 0.000 2.629 46 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.313 46 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.313 46 G C 0.790 175.758 174.900 0.114 0.000 1.217 46 G CA 1.362 46.528 45.100 0.109 0.000 0.994 46 G HN 1.228 nan 8.290 nan 0.000 0.549 47 R N 0.095 120.559 120.500 -0.060 0.000 2.328 47 R HA 0.312 4.652 4.340 -0.000 0.000 0.206 47 R C 0.378 176.513 176.300 -0.275 0.000 0.990 47 R CA 0.016 55.891 56.100 -0.376 0.000 1.085 47 R CB -0.260 29.730 30.300 -0.518 0.000 0.998 47 R HN 0.313 nan 8.270 nan 0.000 0.484 48 L N 1.526 122.703 121.223 -0.077 0.000 2.313 48 L HA 0.310 4.650 4.340 -0.000 0.000 0.273 48 L C -0.551 176.367 176.870 0.080 0.000 1.028 48 L CA -0.269 54.522 54.840 -0.081 0.000 0.871 48 L CB 1.260 43.261 42.059 -0.097 0.000 1.242 48 L HN 0.060 nan 8.230 nan 0.000 0.434 49 Q N 2.265 122.162 119.800 0.162 0.000 2.292 49 Q HA 0.402 4.742 4.340 -0.000 0.000 0.270 49 Q C -1.256 174.825 176.000 0.136 0.000 1.024 49 Q CA -0.519 55.394 55.803 0.183 0.000 0.768 49 Q CB 2.327 31.226 28.738 0.269 0.000 1.250 49 Q HN 0.425 nan 8.270 nan 0.000 0.447 50 T N 3.744 118.353 114.554 0.091 0.000 2.743 50 T HA 0.430 4.780 4.350 -0.000 0.000 0.292 50 T C -0.035 174.703 174.700 0.062 0.000 0.972 50 T CA -0.490 61.653 62.100 0.071 0.000 0.967 50 T CB 0.700 69.591 68.868 0.039 0.000 0.926 50 T HN 0.488 nan 8.240 nan 0.000 0.459 51 V N 1.604 121.569 119.914 0.085 0.000 3.093 51 V HA 0.855 4.975 4.120 -0.000 0.000 0.320 51 V C -0.056 176.087 176.094 0.082 0.000 1.093 51 V CA -0.742 61.601 62.300 0.073 0.000 1.016 51 V CB 1.754 33.617 31.823 0.066 0.000 1.096 51 V HN 0.721 nan 8.190 nan 0.000 0.452 52 T N 1.733 116.324 114.554 0.062 0.000 2.829 52 T HA 0.824 5.174 4.350 -0.000 0.000 0.280 52 T C 0.252 175.010 174.700 0.096 0.000 0.999 52 T CA 0.276 62.405 62.100 0.049 0.000 0.983 52 T CB 1.363 70.235 68.868 0.007 0.000 0.968 52 T HN 1.341 nan 8.240 nan 0.000 0.446 53 G N 0.465 109.352 108.800 0.144 0.000 3.247 53 G HA2 0.477 4.437 3.960 -0.000 0.000 0.199 53 G HA3 0.477 4.437 3.960 -0.000 0.000 0.199 53 G C -1.012 174.000 174.900 0.187 0.000 1.172 53 G CA -0.755 44.456 45.100 0.185 0.000 0.844 53 G HN 0.583 nan 8.290 nan 0.000 0.619 54 Y N 1.545 121.891 120.300 0.076 0.000 3.032 54 Y HA -0.068 4.481 4.550 -0.000 0.000 0.344 54 Y C 1.606 177.531 175.900 0.041 0.000 1.273 54 Y CA 1.722 59.850 58.100 0.047 0.000 1.588 54 Y CB -0.001 38.486 38.460 0.045 0.000 1.209 54 Y HN 0.726 nan 8.280 nan 0.000 0.597 55 Q N 3.257 122.784 119.800 -0.454 0.000 2.450 55 Q HA -0.301 4.039 4.340 -0.000 0.000 0.255 55 Q C 1.113 176.998 176.000 -0.192 0.000 1.003 55 Q CA 0.980 56.527 55.803 -0.427 0.000 1.097 55 Q CB -1.896 26.482 28.738 -0.600 0.000 1.544 55 Q HN 1.392 nan 8.270 nan 0.000 0.531 56 G N -0.127 108.611 108.800 -0.102 0.000 2.162 56 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.260 56 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.260 56 G C 0.144 174.987 174.900 -0.095 0.000 0.976 56 G CA 0.377 45.432 45.100 -0.075 0.000 0.655 56 G HN 0.375 nan 8.290 nan 0.000 0.533 57 R N 0.281 120.720 120.500 -0.102 0.000 2.698 57 R HA 0.416 4.756 4.340 -0.000 0.000 0.266 57 R C 0.457 176.518 176.300 -0.398 0.000 1.026 57 R CA 0.527 56.491 56.100 -0.227 0.000 1.102 57 R CB 0.404 30.607 30.300 -0.161 0.000 0.978 57 R HN 0.316 nan 8.270 nan 0.000 0.436 58 K N 1.823 121.888 120.400 -0.559 0.000 2.208 58 K HA 0.439 4.759 4.320 -0.000 0.000 0.247 58 K C -1.291 174.866 176.600 -0.738 0.000 0.953 58 K CA -0.654 55.354 56.287 -0.466 0.000 0.837 58 K CB 1.683 34.059 32.500 -0.206 0.000 1.131 58 K HN 0.405 nan 8.250 nan 0.000 0.431 59 Y N -0.219 120.103 120.300 0.036 0.000 2.482 59 Y HA 0.133 4.683 4.550 -0.000 0.000 0.334 59 Y C -0.778 175.132 175.900 0.017 0.000 1.091 59 Y CA -1.178 56.947 58.100 0.042 0.000 1.027 59 Y CB 1.671 40.159 38.460 0.048 0.000 1.306 59 Y HN 0.456 nan 8.280 nan 0.000 0.446 60 D N 3.055 123.536 120.400 0.135 0.000 2.402 60 D HA 0.091 4.730 4.640 -0.000 0.000 0.235 60 D C 0.733 177.092 176.300 0.098 0.000 1.226 60 D CA 0.314 54.347 54.000 0.055 0.000 0.918 60 D CB 1.245 41.997 40.800 -0.079 0.000 1.043 60 D HN 0.549 nan 8.370 nan 0.000 0.506 61 I N 2.179 122.845 120.570 0.160 0.000 3.001 61 I HA -0.006 4.164 4.170 -0.000 0.000 0.268 61 I C 1.404 177.757 176.117 0.392 0.000 1.267 61 I CA 0.627 62.051 61.300 0.208 0.000 1.472 61 I CB 0.122 38.202 38.000 0.133 0.000 1.089 61 I HN 0.334 nan 8.210 nan 0.000 0.468 62 G N -0.768 108.207 108.800 0.291 0.000 3.271 62 G HA2 0.570 4.530 3.960 -0.000 0.000 0.174 62 G HA3 0.570 4.530 3.960 -0.000 0.000 0.174 62 G C -0.215 174.616 174.900 -0.114 0.000 1.385 62 G CA 0.049 45.214 45.100 0.108 0.000 0.979 62 G HN 0.367 nan 8.290 nan 0.000 0.610 63 A N -0.731 121.899 122.820 -0.317 0.000 2.498 63 A HA 0.521 4.841 4.320 -0.000 0.000 0.239 63 A C 0.961 178.284 177.584 -0.436 0.000 1.068 63 A CA 0.843 52.614 52.037 -0.443 0.000 0.766 63 A CB 0.645 19.179 19.000 -0.777 0.000 1.003 63 A HN 0.510 nan 8.150 nan 0.000 0.497 64 S N 0.563 116.065 115.700 -0.329 0.000 2.727 64 S HA 0.174 4.644 4.470 -0.000 0.000 0.249 64 S C 0.007 174.244 174.600 -0.605 0.000 1.079 64 S CA -0.245 57.626 58.200 -0.547 0.000 0.912 64 S CB 0.134 62.778 63.200 -0.926 0.000 0.861 64 S HN 0.756 nan 8.310 nan 0.000 0.484 65 W N 2.388 123.590 121.300 -0.163 0.000 2.570 65 W HA 0.465 5.125 4.660 -0.000 0.000 0.337 65 W C -0.367 175.891 176.519 -0.434 0.000 1.067 65 W CA -0.554 56.600 57.345 -0.319 0.000 1.229 65 W CB 0.330 29.546 29.460 -0.407 0.000 1.355 65 W HN 0.141 nan 8.180 nan 0.000 0.555 66 H N 2.571 121.587 119.070 -0.091 0.000 2.705 66 H HA 0.187 4.743 4.556 -0.000 0.000 0.291 66 H C 0.388 175.546 175.328 -0.284 0.000 1.085 66 H CA 0.140 56.081 56.048 -0.178 0.000 1.357 66 H CB 0.434 30.024 29.762 -0.287 0.000 1.419 66 H HN 0.193 nan 8.280 nan 0.000 0.462 67 H N 1.889 121.027 119.070 0.113 0.000 2.499 67 H HA 0.018 4.574 4.556 -0.000 0.000 0.352 67 H C 0.375 175.615 175.328 -0.147 0.000 1.237 67 H CA -0.332 55.724 56.048 0.014 0.000 1.343 67 H CB 0.871 30.711 29.762 0.130 0.000 1.578 67 H HN 0.638 nan 8.280 nan 0.000 0.577 68 D N 0.680 121.050 120.400 -0.050 0.000 2.704 68 D HA -0.156 4.484 4.640 -0.000 0.000 0.232 68 D C 1.104 177.243 176.300 -0.269 0.000 1.183 68 D CA 1.071 54.978 54.000 -0.153 0.000 0.647 68 D CB -1.512 39.247 40.800 -0.069 0.000 1.013 68 D HN 0.756 nan 8.370 nan 0.000 0.415 69 T N -3.076 111.271 114.554 -0.345 0.000 2.996 69 T HA -0.108 4.242 4.350 -0.000 0.000 0.271 69 T C 2.026 176.611 174.700 -0.191 0.000 1.126 69 T CA 0.389 62.173 62.100 -0.527 0.000 1.103 69 T CB 0.030 68.354 68.868 -0.907 0.000 0.870 69 T HN 0.430 nan 8.240 nan 0.000 0.528 70 L N 1.317 122.476 121.223 -0.107 0.000 2.240 70 L HA 0.064 4.404 4.340 -0.000 0.000 0.211 70 L C 2.703 179.562 176.870 -0.019 0.000 1.106 70 L CA 1.503 56.329 54.840 -0.023 0.000 0.793 70 L CB -0.327 41.727 42.059 -0.009 0.000 0.927 70 L HN 0.564 nan 8.230 nan 0.000 0.446 71 T N -6.473 108.037 114.554 -0.072 0.000 3.041 71 T HA 0.021 4.371 4.350 -0.000 0.000 0.276 71 T C 0.622 175.230 174.700 -0.153 0.000 0.948 71 T CA -0.411 61.651 62.100 -0.063 0.000 0.885 71 T CB -0.524 68.330 68.868 -0.024 0.000 1.175 71 T HN 0.131 nan 8.240 nan 0.000 0.529 72 N N 4.027 122.533 118.700 -0.323 0.000 2.412 72 N HA 0.066 4.806 4.740 -0.000 0.000 0.279 72 N C -1.072 174.281 175.510 -0.262 0.000 1.287 72 N CA -1.302 51.391 53.050 -0.594 0.000 0.948 72 N CB 0.996 39.063 38.487 -0.700 0.000 1.255 72 N HN 0.117 nan 8.380 nan 0.000 0.485 73 P HA -0.199 nan 4.420 nan 0.000 0.216 73 P C 1.418 178.507 177.300 -0.351 0.000 1.150 73 P CA 0.683 63.735 63.100 -0.081 0.000 0.837 73 P CB 0.207 32.022 31.700 0.192 0.000 0.786 74 L N -0.713 120.111 121.223 -0.664 0.000 2.017 74 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 74 L C 2.544 179.095 176.870 -0.531 0.000 1.073 74 L CA 1.660 55.911 54.840 -0.981 0.000 0.745 74 L CB -1.779 39.709 42.059 -0.952 0.000 0.894 74 L HN -0.181 nan 8.230 nan 0.000 0.432 75 F N -0.215 119.395 119.950 -0.567 0.000 2.095 75 F HA -0.230 4.297 4.527 -0.000 0.000 0.298 75 F C 2.081 177.617 175.800 -0.440 0.000 1.104 75 F CA 1.858 59.433 58.000 -0.708 0.000 1.232 75 F CB -0.448 38.147 39.000 -0.675 0.000 0.987 75 F HN 0.061 nan 8.300 nan 0.000 0.475 76 L N 0.182 121.178 121.223 -0.378 0.000 2.079 76 L HA -0.243 4.097 4.340 -0.000 0.000 0.210 76 L C 2.544 179.233 176.870 -0.302 0.000 1.081 76 L CA 2.015 56.660 54.840 -0.324 0.000 0.752 76 L CB -0.905 41.093 42.059 -0.102 0.000 0.896 76 L HN 0.304 nan 8.230 nan 0.000 0.433 77 E N 0.087 120.133 120.200 -0.256 0.000 2.077 77 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 77 E C 2.025 178.514 176.600 -0.185 0.000 0.989 77 E CA 1.006 57.314 56.400 -0.153 0.000 0.800 77 E CB 0.175 29.822 29.700 -0.088 0.000 0.746 77 E HN 0.379 nan 8.360 nan 0.000 0.452 78 E N 0.063 120.087 120.200 -0.293 0.000 2.204 78 E HA -0.147 4.203 4.350 -0.000 0.000 0.194 78 E C 1.867 178.376 176.600 -0.152 0.000 0.989 78 E CA 0.876 57.149 56.400 -0.213 0.000 0.824 78 E CB -0.062 29.482 29.700 -0.259 0.000 0.756 78 E HN 0.369 nan 8.360 nan 0.000 0.477 79 A N 1.192 123.801 122.820 -0.352 0.000 1.872 79 A HA -0.166 4.154 4.320 -0.000 0.000 0.214 79 A C 2.165 179.683 177.584 -0.109 0.000 1.187 79 A CA 0.948 52.853 52.037 -0.220 0.000 0.614 79 A CB -0.277 18.436 19.000 -0.479 0.000 0.826 79 A HN 0.062 nan 8.150 nan 0.000 0.442 80 Q N -0.024 119.702 119.800 -0.124 0.000 2.030 80 Q HA -0.174 4.166 4.340 -0.000 0.000 0.204 80 Q C 2.208 178.174 176.000 -0.057 0.000 0.986 80 Q CA 1.642 57.404 55.803 -0.069 0.000 0.843 80 Q CB -0.601 28.104 28.738 -0.055 0.000 0.904 80 Q HN 0.721 nan 8.270 nan 0.000 0.420 81 L N -0.013 121.171 121.223 -0.065 0.000 1.956 81 L HA -0.263 4.077 4.340 -0.000 0.000 0.216 81 L C 2.511 179.339 176.870 -0.070 0.000 1.073 81 L CA 1.638 56.443 54.840 -0.058 0.000 0.762 81 L CB -0.780 41.244 42.059 -0.060 0.000 0.889 81 L HN 0.117 nan 8.230 nan 0.000 0.433 82 S N -0.180 115.463 115.700 -0.095 0.000 2.387 82 S HA -0.198 4.271 4.470 -0.000 0.000 0.230 82 S C 1.809 176.360 174.600 -0.082 0.000 1.035 82 S CA 1.435 59.559 58.200 -0.126 0.000 1.014 82 S CB -0.390 62.669 63.200 -0.235 0.000 0.836 82 S HN 0.255 nan 8.310 nan 0.000 0.466 83 L N 2.420 123.611 121.223 -0.053 0.000 2.083 83 L HA -0.033 4.307 4.340 -0.000 0.000 0.209 83 L C 1.622 178.473 176.870 -0.032 0.000 1.083 83 L CA 1.668 56.489 54.840 -0.032 0.000 0.752 83 L CB -0.661 41.386 42.059 -0.019 0.000 0.899 83 L HN 0.168 nan 8.230 nan 0.000 0.433 84 N N 0.028 118.707 118.700 -0.036 0.000 2.250 84 N HA -0.106 4.634 4.740 -0.000 0.000 0.181 84 N C 0.966 176.456 175.510 -0.034 0.000 1.017 84 N CA 1.436 54.468 53.050 -0.030 0.000 0.866 84 N CB -0.181 38.290 38.487 -0.027 0.000 0.985 84 N HN 0.684 nan 8.380 nan 0.000 0.429 85 D N -2.041 118.333 120.400 -0.044 0.000 2.433 85 D HA 0.222 4.862 4.640 -0.000 0.000 0.211 85 D C 1.135 177.404 176.300 -0.051 0.000 1.114 85 D CA 0.324 54.297 54.000 -0.045 0.000 0.837 85 D CB 0.017 40.790 40.800 -0.046 0.000 0.984 85 D HN 0.115 nan 8.370 nan 0.000 0.505 86 G N -0.479 108.286 108.800 -0.058 0.000 2.196 86 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.268 86 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.268 86 G C 0.760 175.612 174.900 -0.081 0.000 0.975 86 G CA 0.532 45.595 45.100 -0.062 0.000 0.648 86 G HN 0.801 nan 8.290 nan 0.000 0.538 87 R N 0.093 120.536 120.500 -0.095 0.000 2.539 87 R HA 0.695 5.034 4.340 -0.000 0.000 0.275 87 R C 0.527 176.726 176.300 -0.169 0.000 1.077 87 R CA 0.750 56.784 56.100 -0.109 0.000 1.097 87 R CB 0.085 nan 30.300 nan 0.000 1.018 87 R HN 0.563 nan 8.270 nan 0.000 0.483 88 T N 2.294 116.752 114.554 -0.160 0.000 2.749 88 T HA 0.295 4.645 4.350 -0.000 0.000 0.295 88 T C 0.792 175.344 174.700 -0.246 0.000 0.936 88 T CA -0.116 61.850 62.100 -0.224 0.000 1.060 88 T CB 0.486 69.276 68.868 -0.130 0.000 0.904 88 T HN 0.629 nan 8.240 nan 0.000 0.500 89 R N 1.736 121.976 120.500 -0.433 0.000 2.476 89 R HA 0.306 4.646 4.340 -0.000 0.000 0.276 89 R C -0.542 175.690 176.300 -0.114 0.000 0.941 89 R CA 0.017 55.953 56.100 -0.272 0.000 1.088 89 R CB 0.562 30.731 30.300 -0.219 0.000 1.216 89 R HN 0.676 nan 8.270 nan 0.000 0.533 90 F N -3.723 116.254 119.950 0.045 0.000 2.842 90 F HA 0.531 5.058 4.527 -0.000 0.000 0.319 90 F C -1.707 174.186 175.800 0.154 0.000 1.159 90 F CA -1.622 56.433 58.000 0.091 0.000 0.902 90 F CB 0.866 39.944 39.000 0.131 0.000 1.311 90 F HN -0.329 nan 8.300 nan 0.000 0.453 91 V N 1.306 121.544 119.914 0.540 0.000 2.808 91 V HA 0.621 4.741 4.120 -0.000 0.000 0.308 91 V C -1.706 174.616 176.094 0.379 0.000 1.099 91 V CA -0.854 61.725 62.300 0.465 0.000 0.920 91 V CB 2.044 34.057 31.823 0.317 0.000 1.014 91 V HN 0.703 nan 8.190 nan 0.000 0.425 92 F N 5.857 126.000 119.950 0.322 0.000 2.439 92 F HA 0.342 4.869 4.527 -0.000 0.000 0.356 92 F C 1.231 177.158 175.800 0.211 0.000 1.161 92 F CA -0.390 57.753 58.000 0.239 0.000 1.151 92 F CB 0.727 39.831 39.000 0.173 0.000 1.222 92 F HN 0.716 nan 8.300 nan 0.000 0.558 93 D N 0.338 120.926 120.400 0.314 0.000 2.388 93 D HA -0.007 4.633 4.640 -0.000 0.000 0.221 93 D C -0.116 176.301 176.300 0.196 0.000 1.133 93 D CA -0.175 53.969 54.000 0.239 0.000 0.831 93 D CB -0.335 40.589 40.800 0.207 0.000 0.962 93 D HN 0.202 nan 8.370 nan 0.000 0.502 94 D N 0.984 121.519 120.400 0.226 0.000 2.423 94 D HA 0.230 4.870 4.640 -0.000 0.000 0.238 94 D C -0.114 176.266 176.300 0.134 0.000 1.142 94 D CA 0.736 54.851 54.000 0.192 0.000 0.884 94 D CB 1.209 42.156 40.800 0.245 0.000 1.199 94 D HN 0.172 nan 8.370 nan 0.000 0.438 95 D N 0.078 120.529 120.400 0.086 0.000 2.665 95 D HA 0.120 4.760 4.640 -0.000 0.000 0.287 95 D C -1.117 175.222 176.300 0.065 0.000 1.266 95 D CA -0.578 53.444 54.000 0.037 0.000 0.830 95 D CB 1.222 41.997 40.800 -0.042 0.000 1.356 95 D HN 0.075 nan 8.370 nan 0.000 0.437 96 N N 0.868 119.596 118.700 0.046 0.000 2.470 96 N HA 0.178 4.918 4.740 -0.000 0.000 0.268 96 N C -0.312 175.239 175.510 0.068 0.000 1.136 96 N CA 0.080 53.192 53.050 0.103 0.000 0.961 96 N CB 0.138 38.642 38.487 0.028 0.000 1.067 96 N HN 0.194 nan 8.380 nan 0.000 0.468 97 F N 1.769 121.672 119.950 -0.078 0.000 2.484 97 F HA 0.229 4.756 4.527 -0.000 0.000 0.360 97 F C 1.176 176.800 175.800 -0.293 0.000 1.101 97 F CA -0.114 57.737 58.000 -0.248 0.000 1.251 97 F CB 0.413 39.129 39.000 -0.472 0.000 1.132 97 F HN 0.217 nan 8.300 nan 0.000 0.570 98 I N 4.280 124.727 120.570 -0.204 0.000 2.336 98 I HA 0.230 4.400 4.170 -0.000 0.000 0.292 98 I C -0.994 174.998 176.117 -0.208 0.000 0.991 98 I CA -0.708 60.523 61.300 -0.116 0.000 1.227 98 I CB 0.971 38.913 38.000 -0.097 0.000 1.366 98 I HN 0.422 nan 8.210 nan 0.000 0.466 99 Y N 6.399 126.773 120.300 0.123 0.000 2.352 99 Y HA 0.598 5.148 4.550 -0.000 0.000 0.339 99 Y C -0.036 175.913 175.900 0.082 0.000 0.992 99 Y CA -0.636 57.544 58.100 0.133 0.000 1.100 99 Y CB 1.647 40.187 38.460 0.133 0.000 1.192 99 Y HN 0.317 nan 8.280 nan 0.000 0.458 100 I N 2.747 123.462 120.570 0.242 0.000 2.436 100 I HA 0.236 4.406 4.170 -0.000 0.000 0.289 100 I C -1.137 175.115 176.117 0.226 0.000 1.010 100 I CA -0.641 60.764 61.300 0.175 0.000 1.098 100 I CB 1.932 40.008 38.000 0.127 0.000 1.266 100 I HN 0.583 nan 8.210 nan 0.000 0.434 101 D N 4.271 124.730 120.400 0.100 0.000 2.217 101 D HA 0.117 4.757 4.640 -0.000 0.000 0.243 101 D C 1.068 177.300 176.300 -0.113 0.000 1.054 101 D CA -0.367 53.653 54.000 0.033 0.000 0.838 101 D CB 1.578 42.337 40.800 -0.068 0.000 1.162 101 D HN 0.628 nan 8.370 nan 0.000 0.472 102 E N 2.818 122.723 120.200 -0.492 0.000 2.108 102 E HA -0.350 4.000 4.350 -0.000 0.000 0.203 102 E C 1.225 177.601 176.600 -0.373 0.000 1.022 102 E CA 1.674 57.573 56.400 -0.834 0.000 0.823 102 E CB 0.197 28.807 29.700 -1.817 0.000 0.744 102 E HN 0.725 nan 8.360 nan 0.000 0.456 103 E N -0.302 119.731 120.200 -0.279 0.000 2.102 103 E HA -0.130 4.220 4.350 -0.000 0.000 0.190 103 E C 2.271 178.819 176.600 -0.086 0.000 0.971 103 E CA 0.457 56.766 56.400 -0.151 0.000 0.821 103 E CB -0.024 29.611 29.700 -0.108 0.000 0.777 103 E HN 0.103 nan 8.360 nan 0.000 0.460 104 R N -0.247 120.204 120.500 -0.081 0.000 2.210 104 R HA 0.098 4.438 4.340 -0.000 0.000 0.203 104 R C 0.860 177.115 176.300 -0.075 0.000 1.010 104 R CA 0.982 57.034 56.100 -0.080 0.000 1.008 104 R CB 0.184 30.398 30.300 -0.143 0.000 0.923 104 R HN 0.308 nan 8.270 nan 0.000 0.469 105 G N 0.734 109.495 108.800 -0.064 0.000 2.488 105 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.237 105 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.237 105 G C -1.053 173.837 174.900 -0.018 0.000 1.209 105 G CA -0.159 44.926 45.100 -0.026 0.000 0.929 105 G HN 0.345 nan 8.290 nan 0.000 0.578 106 R N 0.130 120.631 120.500 0.002 0.000 2.537 106 R HA 0.370 4.710 4.340 -0.000 0.000 0.280 106 R C 1.229 177.532 176.300 0.006 0.000 1.058 106 R CA 0.640 56.758 56.100 0.029 0.000 1.057 106 R CB 0.826 31.150 30.300 0.040 0.000 0.973 106 R HN 1.228 nan 8.270 nan 0.000 0.438 107 V N -2.053 117.887 119.914 0.044 0.000 3.337 107 V HA 0.079 4.199 4.120 -0.000 0.000 0.307 107 V C 0.161 176.312 176.094 0.094 0.000 1.505 107 V CA -0.458 61.838 62.300 -0.007 0.000 1.072 107 V CB 0.031 31.764 31.823 -0.151 0.000 0.929 107 V HN 0.739 nan 8.190 nan 0.000 0.455 108 D N 0.096 120.623 120.400 0.211 0.000 2.339 108 D HA 0.107 4.747 4.640 -0.000 0.000 0.245 108 D C 0.497 176.956 176.300 0.264 0.000 1.115 108 D CA -0.160 54.031 54.000 0.317 0.000 0.917 108 D CB 0.618 41.655 40.800 0.394 0.000 1.192 108 D HN 0.373 nan 8.370 nan 0.000 0.428 109 H N -0.521 118.629 119.070 0.134 0.000 2.594 109 H HA -0.220 4.336 4.556 -0.000 0.000 0.316 109 H C -0.863 174.503 175.328 0.063 0.000 1.107 109 H CA 0.979 57.081 56.048 0.090 0.000 1.133 109 H CB -1.048 28.767 29.762 0.088 0.000 1.459 109 H HN 0.416 nan 8.280 nan 0.000 0.411 110 D N 0.455 120.867 120.400 0.020 0.000 2.277 110 D HA 0.058 4.698 4.640 -0.000 0.000 0.249 110 D C 1.158 177.424 176.300 -0.056 0.000 1.134 110 D CA 0.426 54.421 54.000 -0.008 0.000 0.863 110 D CB 0.842 41.648 40.800 0.010 0.000 1.143 110 D HN 0.464 nan 8.370 nan 0.000 0.458 111 K N 1.777 122.145 120.400 -0.054 0.000 2.519 111 K HA -0.089 4.231 4.320 -0.000 0.000 0.196 111 K C 1.174 177.760 176.600 -0.023 0.000 1.041 111 K CA 1.587 57.842 56.287 -0.053 0.000 0.954 111 K CB -0.824 31.657 32.500 -0.032 0.000 0.774 111 K HN 0.608 nan 8.250 nan 0.000 0.480 112 E N 0.315 120.510 120.200 -0.007 0.000 2.441 112 E HA 0.399 4.749 4.350 -0.000 0.000 0.207 112 E C 1.934 178.550 176.600 0.025 0.000 0.803 112 E CA 0.425 56.832 56.400 0.011 0.000 1.240 112 E CB -0.261 29.450 29.700 0.018 0.000 1.233 112 E HN 0.361 nan 8.360 nan 0.000 0.590 113 L N 0.111 121.350 121.223 0.028 0.000 2.131 113 L HA 0.227 4.567 4.340 -0.000 0.000 0.206 113 L C 0.961 177.857 176.870 0.042 0.000 1.087 113 L CA 0.548 55.419 54.840 0.052 0.000 0.767 113 L CB -0.221 41.867 42.059 0.048 0.000 0.917 113 L HN 0.318 nan 8.230 nan 0.000 0.441 114 L N 0.337 121.569 121.223 0.015 0.000 3.833 114 L HA -0.288 4.052 4.340 -0.000 0.000 0.447 114 L C 1.402 178.288 176.870 0.027 0.000 1.213 114 L CA -0.205 54.639 54.840 0.007 0.000 0.801 114 L CB -1.564 40.498 42.059 0.005 0.000 1.676 114 L HN 0.333 nan 8.230 nan 0.000 0.883 115 L N -0.765 120.472 121.223 0.025 0.000 2.042 115 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 115 L C 2.324 179.197 176.870 0.005 0.000 1.076 115 L CA 1.819 56.668 54.840 0.015 0.000 0.749 115 L CB -0.211 41.832 42.059 -0.027 0.000 0.893 115 L HN 0.400 nan 8.230 nan 0.000 0.432 116 E N 0.424 120.631 120.200 0.011 0.000 2.118 116 E HA -0.207 4.143 4.350 -0.000 0.000 0.195 116 E C 2.141 178.763 176.600 0.037 0.000 0.992 116 E CA 1.235 57.654 56.400 0.032 0.000 0.804 116 E CB -0.222 29.528 29.700 0.084 0.000 0.741 116 E HN 0.461 nan 8.360 nan 0.000 0.458 117 I N 0.217 120.809 120.570 0.036 0.000 2.202 117 I HA -0.212 3.958 4.170 -0.000 0.000 0.242 117 I C 2.233 178.371 176.117 0.037 0.000 1.091 117 I CA 1.016 62.336 61.300 0.034 0.000 1.368 117 I CB -0.366 37.651 38.000 0.030 0.000 1.058 117 I HN 0.099 nan 8.210 nan 0.000 0.410 118 V N -1.776 118.167 119.914 0.049 0.000 2.809 118 V HA -0.200 3.920 4.120 -0.000 0.000 0.256 118 V C 1.951 178.043 176.094 -0.002 0.000 1.080 118 V CA 1.989 64.329 62.300 0.066 0.000 1.102 118 V CB -0.808 31.087 31.823 0.121 0.000 0.705 118 V HN 0.352 nan 8.190 nan 0.000 0.475 119 D N 1.574 121.979 120.400 0.008 0.000 2.144 119 D HA -0.212 4.428 4.640 -0.000 0.000 0.200 119 D C 1.985 178.285 176.300 -0.000 0.000 0.978 119 D CA 1.716 55.723 54.000 0.011 0.000 0.833 119 D CB -0.316 40.529 40.800 0.075 0.000 0.961 119 D HN 0.549 nan 8.370 nan 0.000 0.470 120 N N 0.129 118.832 118.700 0.005 0.000 2.244 120 N HA -0.154 4.586 4.740 -0.000 0.000 0.183 120 N C 1.596 177.082 175.510 -0.041 0.000 1.016 120 N CA 1.142 54.186 53.050 -0.010 0.000 0.866 120 N CB -0.076 38.412 38.487 0.003 0.000 0.980 120 N HN 0.272 nan 8.380 nan 0.000 0.430 121 E N -0.669 119.512 120.200 -0.032 0.000 2.107 121 E HA -0.198 4.152 4.350 -0.000 0.000 0.191 121 E C 1.822 178.365 176.600 -0.095 0.000 0.982 121 E CA 0.807 57.204 56.400 -0.005 0.000 0.809 121 E CB -0.085 29.668 29.700 0.088 0.000 0.756 121 E HN 0.346 nan 8.360 nan 0.000 0.459 122 M N 0.655 120.059 119.600 -0.325 0.000 2.073 122 M HA -0.204 4.276 4.480 -0.000 0.000 0.258 122 M C 2.332 178.490 176.300 -0.238 0.000 1.070 122 M CA 2.214 57.178 55.300 -0.560 0.000 1.103 122 M CB -0.708 31.597 32.600 -0.491 0.000 1.321 122 M HN 0.069 nan 8.290 nan 0.000 0.405 123 S N -0.288 115.246 115.700 -0.278 0.000 2.359 123 S HA -0.203 4.267 4.470 -0.000 0.000 0.224 123 S C 2.195 176.526 174.600 -0.448 0.000 1.035 123 S CA 1.586 59.383 58.200 -0.671 0.000 1.018 123 S CB -0.424 62.550 63.200 -0.377 0.000 0.876 123 S HN 0.496 nan 8.310 nan 0.000 0.448 124 K N 0.305 120.588 120.400 -0.195 0.000 2.103 124 K HA -0.081 4.239 4.320 -0.000 0.000 0.207 124 K C 1.822 178.395 176.600 -0.044 0.000 1.048 124 K CA 1.353 57.578 56.287 -0.104 0.000 0.930 124 K CB -0.908 31.570 32.500 -0.036 0.000 0.716 124 K HN 0.578 nan 8.250 nan 0.000 0.444 125 F N 1.201 121.070 119.950 -0.136 0.000 2.102 125 F HA -0.220 4.307 4.527 -0.000 0.000 0.298 125 F C 2.056 177.807 175.800 -0.083 0.000 1.105 125 F CA 1.782 59.751 58.000 -0.052 0.000 1.239 125 F CB -0.510 38.519 39.000 0.047 0.000 0.991 125 F HN 0.034 nan 8.300 nan 0.000 0.474 126 A N -0.166 122.592 122.820 -0.103 0.000 1.940 126 A HA -0.247 4.072 4.320 -0.000 0.000 0.219 126 A C 2.260 179.809 177.584 -0.058 0.000 1.176 126 A CA 1.847 53.830 52.037 -0.090 0.000 0.631 126 A CB -1.067 17.916 19.000 -0.029 0.000 0.814 126 A HN 0.605 nan 8.150 nan 0.000 0.446 127 E N -0.241 119.886 120.200 -0.122 0.000 2.051 127 E HA -0.177 4.173 4.350 -0.000 0.000 0.192 127 E C 1.941 178.523 176.600 -0.031 0.000 0.991 127 E CA 1.246 57.622 56.400 -0.039 0.000 0.799 127 E CB -0.207 29.435 29.700 -0.096 0.000 0.748 127 E HN 0.627 nan 8.360 nan 0.000 0.449 128 L N 0.975 122.125 121.223 -0.121 0.000 2.083 128 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 128 L C 2.614 179.382 176.870 -0.169 0.000 1.083 128 L CA 0.880 55.655 54.840 -0.107 0.000 0.752 128 L CB -0.302 41.680 42.059 -0.129 0.000 0.899 128 L HN 0.137 nan 8.230 nan 0.000 0.433 129 E N -0.010 119.945 120.200 -0.408 0.000 2.085 129 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 129 E C 1.831 178.073 176.600 -0.595 0.000 0.994 129 E CA 1.642 57.651 56.400 -0.652 0.000 0.801 129 E CB -0.086 28.975 29.700 -1.066 0.000 0.743 129 E HN 0.515 nan 8.360 nan 0.000 0.453 130 F N -0.974 118.960 119.950 -0.028 0.000 2.695 130 F HA 0.088 4.615 4.527 -0.000 0.000 0.303 130 F C 0.863 176.709 175.800 0.076 0.000 1.091 130 F CA -0.528 57.488 58.000 0.026 0.000 1.300 130 F CB -0.099 38.919 39.000 0.030 0.000 1.071 130 F HN -0.074 nan 8.300 nan 0.000 0.578 131 H N 2.439 121.571 119.070 0.104 0.000 3.138 131 H HA 0.337 4.893 4.556 -0.000 0.000 0.275 131 H C 0.568 175.938 175.328 0.070 0.000 0.997 131 H CA 0.449 56.539 56.048 0.071 0.000 1.460 131 H CB -0.133 29.639 29.762 0.016 0.000 1.524 131 H HN 0.401 nan 8.280 nan 0.000 0.532 132 Q N 4.048 123.659 119.800 -0.315 0.000 2.417 132 Q HA -0.186 4.154 4.340 -0.000 0.000 0.362 132 Q C -0.242 175.656 176.000 -0.171 0.000 1.384 132 Q CA 1.601 57.201 55.803 -0.338 0.000 1.017 132 Q CB -2.897 nan 28.738 nan 0.000 1.157 132 Q HN 1.068 nan 8.270 nan 0.000 0.313 133 H N 0.369 119.400 119.070 -0.065 0.000 2.718 133 H HA 0.140 4.696 4.556 -0.000 0.000 0.198 133 H C 0.536 175.876 175.328 0.020 0.000 1.042 133 H CA 0.303 56.336 56.048 -0.025 0.000 0.805 133 H CB 0.205 29.954 29.762 -0.022 0.000 1.725 133 H HN 1.100 nan 8.280 nan 0.000 0.595 134 L N 0.667 121.975 121.223 0.142 0.000 3.678 134 L HA -0.170 4.170 4.340 -0.000 0.000 0.425 134 L C 1.097 178.051 176.870 0.139 0.000 1.240 134 L CA 1.503 56.407 54.840 0.106 0.000 0.876 134 L CB -2.687 39.418 42.059 0.077 0.000 1.766 134 L HN 0.720 nan 8.230 nan 0.000 0.917 135 G N 0.082 109.018 108.800 0.227 0.000 2.370 135 G HA2 -0.133 3.826 3.960 -0.000 0.000 0.293 135 G HA3 -0.133 3.826 3.960 -0.000 0.000 0.293 135 G C 0.593 175.644 174.900 0.251 0.000 0.992 135 G CA 0.269 45.590 45.100 0.369 0.000 1.247 135 G HN 1.321 nan 8.290 nan 0.000 0.505 136 V N -0.910 119.080 119.914 0.127 0.000 2.726 136 V HA 0.302 4.422 4.120 -0.000 0.000 0.251 136 V C 1.229 177.338 176.094 0.024 0.000 0.966 136 V CA 0.812 63.094 62.300 -0.030 0.000 1.185 136 V CB -0.800 30.816 31.823 -0.344 0.000 1.006 136 V HN 2.402 nan 8.190 nan 0.000 0.473 137 S N 2.504 118.240 115.700 0.061 0.000 3.488 137 S HA -0.155 4.315 4.470 -0.000 0.000 0.492 137 S C 0.184 174.865 174.600 0.135 0.000 0.779 137 S CA 0.554 58.795 58.200 0.068 0.000 1.378 137 S CB -1.236 61.981 63.200 0.028 0.000 0.924 137 S HN 1.018 nan 8.310 nan 0.000 0.719 138 D N 2.329 122.822 120.400 0.156 0.000 2.362 138 D HA 0.462 5.102 4.640 -0.000 0.000 0.238 138 D C 1.063 177.463 176.300 0.167 0.000 1.212 138 D CA 0.806 54.930 54.000 0.206 0.000 0.902 138 D CB 0.877 41.704 40.800 0.045 0.000 1.180 138 D HN 0.871 nan 8.370 nan 0.000 0.445 139 C N -1.594 117.828 119.300 0.203 0.000 3.321 139 C HA 0.709 5.169 4.460 -0.000 0.000 0.363 139 C C 0.142 175.226 174.990 0.156 0.000 1.705 139 C CA -0.912 58.200 59.018 0.156 0.000 1.298 139 C CB 0.834 28.665 27.740 0.152 0.000 2.086 139 C HN 0.606 nan 8.230 nan 0.000 0.438 140 S N -0.002 115.782 115.700 0.141 0.000 2.610 140 S HA 0.440 4.910 4.470 -0.000 0.000 0.273 140 S C 0.427 175.175 174.600 0.247 0.000 1.274 140 S CA -0.158 58.140 58.200 0.162 0.000 1.023 140 S CB 0.479 63.754 63.200 0.125 0.000 0.962 140 S HN 1.111 nan 8.310 nan 0.000 0.523 141 F N 2.303 122.323 119.950 0.116 0.000 2.120 141 F HA -0.118 4.409 4.527 -0.000 0.000 0.300 141 F C 1.604 177.507 175.800 0.172 0.000 1.095 141 F CA 1.294 59.393 58.000 0.164 0.000 1.249 141 F CB -0.949 38.153 39.000 0.170 0.000 0.995 141 F HN 0.780 nan 8.300 nan 0.000 0.480 142 F N 1.367 121.236 119.950 -0.135 0.000 2.095 142 F HA -0.262 4.265 4.527 -0.000 0.000 0.298 142 F C 2.433 178.005 175.800 -0.380 0.000 1.104 142 F CA 2.324 59.952 58.000 -0.621 0.000 1.232 142 F CB -0.942 37.442 39.000 -1.026 0.000 0.987 142 F HN 0.103 nan 8.300 nan 0.000 0.475 143 Q N -0.181 119.457 119.800 -0.270 0.000 2.096 143 Q HA -0.214 4.126 4.340 -0.000 0.000 0.204 143 Q C 2.185 178.084 176.000 -0.168 0.000 0.982 143 Q CA 1.831 57.480 55.803 -0.257 0.000 0.850 143 Q CB -0.501 28.222 28.738 -0.026 0.000 0.901 143 Q HN 0.493 nan 8.270 nan 0.000 0.422 144 L N -0.092 121.127 121.223 -0.008 0.000 2.046 144 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 144 L C 2.059 178.982 176.870 0.088 0.000 1.077 144 L CA 1.365 56.296 54.840 0.152 0.000 0.747 144 L CB -0.315 41.959 42.059 0.358 0.000 0.896 144 L HN 0.013 nan 8.230 nan 0.000 0.432 145 V N -0.595 119.234 119.914 -0.141 0.000 2.427 145 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 145 V C 2.552 178.578 176.094 -0.113 0.000 1.051 145 V CA 1.632 63.853 62.300 -0.131 0.000 1.048 145 V CB -0.534 31.152 31.823 -0.227 0.000 0.666 145 V HN 0.401 nan 8.190 nan 0.000 0.456 146 M N -0.290 119.120 119.600 -0.317 0.000 2.132 146 M HA -0.145 4.335 4.480 -0.000 0.000 0.263 146 M C 2.123 178.330 176.300 -0.156 0.000 1.065 146 M CA 1.666 56.798 55.300 -0.280 0.000 1.122 146 M CB -1.168 31.145 32.600 -0.480 0.000 1.365 146 M HN 0.321 nan 8.290 nan 0.000 0.411 147 K N -0.770 119.579 120.400 -0.086 0.000 2.063 147 K HA -0.214 4.106 4.320 -0.000 0.000 0.208 147 K C 2.047 178.600 176.600 -0.078 0.000 1.048 147 K CA 1.598 57.885 56.287 -0.000 0.000 0.928 147 K CB -0.560 32.033 32.500 0.156 0.000 0.713 147 K HN 0.245 nan 8.250 nan 0.000 0.442 148 Y N 1.929 122.037 120.300 -0.321 0.000 2.114 148 Y HA -0.219 4.331 4.550 -0.000 0.000 0.284 148 Y C 1.829 177.472 175.900 -0.427 0.000 1.143 148 Y CA 1.410 59.023 58.100 -0.811 0.000 1.135 148 Y CB -0.365 37.610 38.460 -0.808 0.000 0.980 148 Y HN -0.081 nan 8.280 nan 0.000 0.499 149 L N -0.647 120.393 121.223 -0.305 0.000 2.042 149 L HA -0.244 4.096 4.340 -0.000 0.000 0.210 149 L C 2.449 179.118 176.870 -0.335 0.000 1.076 149 L CA 1.320 55.983 54.840 -0.295 0.000 0.749 149 L CB -0.762 41.243 42.059 -0.091 0.000 0.893 149 L HN 0.336 nan 8.230 nan 0.000 0.432 150 L N -0.206 120.856 121.223 -0.269 0.000 2.056 150 L HA -0.229 4.111 4.340 -0.000 0.000 0.207 150 L C 2.567 179.290 176.870 -0.246 0.000 1.078 150 L CA 1.741 56.443 54.840 -0.230 0.000 0.749 150 L CB -0.571 41.389 42.059 -0.166 0.000 0.901 150 L HN 0.279 nan 8.230 nan 0.000 0.433 151 Q N -1.273 118.367 119.800 -0.267 0.000 2.230 151 Q HA -0.108 4.232 4.340 -0.000 0.000 0.202 151 Q C 1.224 177.057 176.000 -0.277 0.000 0.963 151 Q CA 0.934 56.606 55.803 -0.218 0.000 0.866 151 Q CB 0.176 28.837 28.738 -0.128 0.000 0.931 151 Q HN 0.311 nan 8.270 nan 0.000 0.452 152 R N -0.070 120.150 120.500 -0.467 0.000 2.472 152 R HA 0.105 4.445 4.340 -0.000 0.000 0.279 152 R C 1.690 177.728 176.300 -0.437 0.000 0.953 152 R CA 0.352 56.214 56.100 -0.397 0.000 1.088 152 R CB 0.080 30.027 30.300 -0.589 0.000 1.197 152 R HN 0.384 nan 8.270 nan 0.000 0.536 153 R N 0.961 121.209 120.500 -0.420 0.000 2.119 153 R HA -0.246 4.093 4.340 -0.000 0.000 0.246 153 R C 1.799 177.849 176.300 -0.417 0.000 1.146 153 R CA 2.043 57.933 56.100 -0.350 0.000 0.962 153 R CB -0.550 29.572 30.300 -0.297 0.000 0.863 153 R HN 0.172 nan 8.270 nan 0.000 0.442 154 Q N 0.432 119.835 119.800 -0.661 0.000 2.234 154 Q HA -0.146 4.194 4.340 -0.000 0.000 0.206 154 Q C 0.610 176.151 176.000 -0.766 0.000 0.980 154 Q CA 1.678 56.998 55.803 -0.806 0.000 0.869 154 Q CB -0.013 28.046 28.738 -1.133 0.000 0.912 154 Q HN 0.641 nan 8.270 nan 0.000 0.436 155 F N -0.018 119.874 119.950 -0.097 0.000 2.647 155 F HA 0.339 4.866 4.527 -0.000 0.000 0.300 155 F C -0.318 175.449 175.800 -0.055 0.000 1.106 155 F CA -0.529 57.430 58.000 -0.068 0.000 1.313 155 F CB 0.593 39.554 39.000 -0.065 0.000 1.007 155 F HN -0.117 nan 8.300 nan 0.000 0.536 156 L N 0.564 121.769 121.223 -0.029 0.000 2.365 156 L HA 0.467 4.807 4.340 -0.000 0.000 0.273 156 L C 0.548 177.404 176.870 -0.023 0.000 1.000 156 L CA -0.948 53.889 54.840 -0.004 0.000 0.819 156 L CB 2.140 44.180 42.059 -0.032 0.000 1.284 156 L HN 0.079 nan 8.230 nan 0.000 0.418 157 T N -2.140 112.421 114.554 0.011 0.000 2.729 157 T HA 0.149 4.499 4.350 -0.000 0.000 0.298 157 T C 0.952 175.649 174.700 -0.004 0.000 1.013 157 T CA -0.514 61.589 62.100 0.006 0.000 0.957 157 T CB 0.668 69.555 68.868 0.030 0.000 1.130 157 T HN 0.498 nan 8.240 nan 0.000 0.526 158 N N 0.914 119.611 118.700 -0.004 0.000 2.135 158 N HA -0.087 4.653 4.740 -0.000 0.000 0.186 158 N C 1.495 177.005 175.510 0.000 0.000 1.027 158 N CA 1.263 54.303 53.050 -0.016 0.000 0.849 158 N CB -0.597 37.880 38.487 -0.017 0.000 1.002 158 N HN 0.611 nan 8.380 nan 0.000 0.425 159 D N 1.285 121.712 120.400 0.045 0.000 2.178 159 D HA -0.104 4.536 4.640 -0.000 0.000 0.201 159 D C 1.932 178.312 176.300 0.134 0.000 0.980 159 D CA 0.749 54.810 54.000 0.100 0.000 0.842 159 D CB -0.136 40.809 40.800 0.241 0.000 0.948 159 D HN 0.415 nan 8.370 nan 0.000 0.472 160 Q N 0.036 119.904 119.800 0.114 0.000 2.084 160 Q HA -0.064 4.276 4.340 -0.000 0.000 0.202 160 Q C 2.423 178.491 176.000 0.112 0.000 0.978 160 Q CA 0.760 56.638 55.803 0.125 0.000 0.844 160 Q CB -0.008 28.789 28.738 0.098 0.000 0.898 160 Q HN 0.354 nan 8.270 nan 0.000 0.426 161 I N 0.245 120.858 120.570 0.072 0.000 2.493 161 I HA -0.247 3.923 4.170 -0.000 0.000 0.254 161 I C 2.583 178.818 176.117 0.197 0.000 1.160 161 I CA 0.884 62.243 61.300 0.099 0.000 1.445 161 I CB -0.205 37.790 38.000 -0.008 0.000 1.086 161 I HN 0.147 nan 8.210 nan 0.000 0.433 162 R N 0.432 120.955 120.500 0.038 0.000 2.062 162 R HA -0.118 4.222 4.340 -0.000 0.000 0.226 162 R C 2.203 178.345 176.300 -0.263 0.000 1.125 162 R CA 1.493 57.521 56.100 -0.120 0.000 0.966 162 R CB -0.165 29.852 30.300 -0.471 0.000 0.861 162 R HN 0.268 nan 8.270 nan 0.000 0.433 163 Y N 0.005 120.355 120.300 0.084 0.000 2.397 163 Y HA -0.053 4.497 4.550 -0.000 0.000 0.292 163 Y C 2.011 177.927 175.900 0.026 0.000 1.115 163 Y CA 0.046 58.169 58.100 0.039 0.000 1.208 163 Y CB -0.148 38.330 38.460 0.029 0.000 1.046 163 Y HN 0.080 nan 8.280 nan 0.000 0.552 164 L N 2.531 123.861 121.223 0.177 0.000 1.997 164 L HA -0.166 4.174 4.340 -0.000 0.000 0.216 164 L C -0.650 176.274 176.870 0.090 0.000 1.074 164 L CA 2.133 57.044 54.840 0.117 0.000 0.763 164 L CB -1.667 40.471 42.059 0.132 0.000 0.890 164 L HN 0.010 nan 8.230 nan 0.000 0.434 165 P HA -0.165 nan 4.420 nan 0.000 0.222 165 P C 1.072 178.340 177.300 -0.053 0.000 1.147 165 P CA 1.242 64.405 63.100 0.105 0.000 0.790 165 P CB -0.065 31.769 31.700 0.223 0.000 0.780 166 Q N -0.525 119.246 119.800 -0.049 0.000 2.212 166 Q HA 0.049 4.389 4.340 -0.000 0.000 0.199 166 Q C 2.322 178.318 176.000 -0.007 0.000 0.950 166 Q CA 0.526 56.270 55.803 -0.098 0.000 0.863 166 Q CB -0.944 27.800 28.738 0.011 0.000 0.944 166 Q HN 0.327 nan 8.270 nan 0.000 0.465 167 L N 0.754 121.999 121.223 0.036 0.000 2.044 167 L HA -0.144 4.196 4.340 -0.000 0.000 0.205 167 L C 2.567 179.527 176.870 0.150 0.000 1.075 167 L CA 1.629 56.490 54.840 0.036 0.000 0.747 167 L CB -0.345 41.620 42.059 -0.157 0.000 0.903 167 L HN 0.377 nan 8.230 nan 0.000 0.435 168 C N -0.396 118.944 119.300 0.066 0.000 2.409 168 C HA -0.103 4.357 4.460 -0.000 0.000 0.284 168 C C 2.494 177.419 174.990 -0.107 0.000 1.354 168 C CA 0.357 59.376 59.018 0.002 0.000 1.787 168 C CB -1.650 26.148 27.740 0.096 0.000 1.900 168 C HN 0.478 nan 8.230 nan 0.000 0.520 169 R N 0.399 120.885 120.500 -0.024 0.000 2.339 169 R HA -0.022 4.318 4.340 -0.000 0.000 0.199 169 R C 1.778 178.086 176.300 0.014 0.000 1.018 169 R CA 1.246 57.342 56.100 -0.005 0.000 1.036 169 R CB -0.507 29.631 30.300 -0.270 0.000 0.899 169 R HN 0.946 nan 8.270 nan 0.000 0.473 170 Y N -1.239 119.156 120.300 0.158 0.000 2.333 170 Y HA -0.106 4.444 4.550 -0.000 0.000 0.290 170 Y C 1.530 177.533 175.900 0.172 0.000 1.144 170 Y CA 0.607 58.803 58.100 0.160 0.000 1.228 170 Y CB -0.656 37.903 38.460 0.165 0.000 0.985 170 Y HN -0.042 nan 8.280 nan 0.000 0.542 171 L N 0.631 121.643 121.223 -0.352 0.000 2.353 171 L HA -0.159 4.181 4.340 -0.000 0.000 0.220 171 L C 2.169 179.144 176.870 0.176 0.000 1.133 171 L CA 1.316 56.112 54.840 -0.072 0.000 0.798 171 L CB -0.517 41.213 42.059 -0.549 0.000 0.922 171 L HN 0.380 nan 8.230 nan 0.000 0.445 172 E N -0.155 120.124 120.200 0.131 0.000 2.204 172 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 172 E C 1.747 178.464 176.600 0.194 0.000 0.989 172 E CA 0.640 57.146 56.400 0.175 0.000 0.824 172 E CB 0.121 29.900 29.700 0.131 0.000 0.756 172 E HN 0.335 nan 8.360 nan 0.000 0.477 173 L N -1.019 120.302 121.223 0.164 0.000 2.599 173 L HA -0.037 4.303 4.340 -0.000 0.000 0.230 173 L C 1.212 178.079 176.870 -0.005 0.000 1.141 173 L CA 0.969 55.857 54.840 0.080 0.000 0.877 173 L CB -0.937 41.133 42.059 0.018 0.000 1.009 173 L HN 0.291 nan 8.230 nan 0.000 0.447 174 W N -1.006 120.318 121.300 0.040 0.000 2.588 174 W HA 0.045 4.704 4.660 -0.000 0.000 0.277 174 W C 2.567 179.017 176.519 -0.116 0.000 1.221 174 W CA 0.440 57.737 57.345 -0.080 0.000 1.355 174 W CB 0.121 29.516 29.460 -0.109 0.000 1.083 174 W HN 0.195 nan 8.180 nan 0.000 0.581 175 H N -1.593 117.665 119.070 0.314 0.000 2.582 175 H HA 0.234 4.790 4.556 -0.000 0.000 0.269 175 H C 1.845 177.229 175.328 0.093 0.000 0.962 175 H CA 1.150 57.332 56.048 0.223 0.000 1.230 175 H CB 0.346 30.190 29.762 0.136 0.000 1.445 175 H HN 0.147 nan 8.280 nan 0.000 0.528 176 G N 1.125 110.044 108.800 0.199 0.000 2.137 176 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.237 176 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.237 176 G C -0.544 174.404 174.900 0.080 0.000 1.002 176 G CA 0.030 45.178 45.100 0.079 0.000 0.702 176 G HN 0.108 nan 8.290 nan 0.000 0.515 177 L N 0.430 121.732 121.223 0.132 0.000 2.422 177 L HA 0.531 4.871 4.340 -0.000 0.000 0.264 177 L C 0.137 177.081 176.870 0.124 0.000 0.984 177 L CA -1.411 53.490 54.840 0.103 0.000 0.819 177 L CB 1.779 43.902 42.059 0.105 0.000 1.330 177 L HN 0.282 nan 8.230 nan 0.000 0.410 178 D N 1.507 121.971 120.400 0.107 0.000 2.400 178 D HA -0.099 4.541 4.640 -0.000 0.000 0.238 178 D C 0.541 177.035 176.300 0.324 0.000 1.157 178 D CA -0.173 53.938 54.000 0.185 0.000 0.889 178 D CB 1.041 41.926 40.800 0.143 0.000 1.199 178 D HN 0.637 nan 8.370 nan 0.000 0.436 179 W N 4.118 125.498 121.300 0.132 0.000 2.721 179 W HA 0.029 4.689 4.660 -0.000 0.000 0.245 179 W C 0.774 177.406 176.519 0.188 0.000 1.276 179 W CA -0.002 57.493 57.345 0.251 0.000 1.342 179 W CB -0.825 28.829 29.460 0.324 0.000 1.135 179 W HN 0.374 nan 8.180 nan 0.000 0.654 180 K N 0.340 120.850 120.400 0.184 0.000 2.374 180 K HA 0.201 4.521 4.320 -0.000 0.000 0.196 180 K C 1.540 178.123 176.600 -0.028 0.000 1.023 180 K CA 0.187 56.434 56.287 -0.067 0.000 1.103 180 K CB 0.243 32.594 32.500 -0.248 0.000 0.848 180 K HN 0.211 nan 8.250 nan 0.000 0.528 181 L N 0.269 121.487 121.223 -0.008 0.000 2.672 181 L HA 0.201 4.541 4.340 -0.000 0.000 0.236 181 L C 0.216 177.013 176.870 -0.122 0.000 1.092 181 L CA -0.303 54.440 54.840 -0.162 0.000 0.887 181 L CB 0.294 42.199 42.059 -0.256 0.000 1.168 181 L HN 0.046 nan 8.230 nan 0.000 0.502 182 L N 0.565 121.809 121.223 0.035 0.000 2.326 182 L HA 0.292 4.632 4.340 -0.000 0.000 0.278 182 L C 0.626 177.532 176.870 0.060 0.000 1.092 182 L CA 0.122 54.987 54.840 0.042 0.000 0.810 182 L CB 1.418 43.483 42.059 0.010 0.000 1.153 182 L HN -0.061 nan 8.230 nan 0.000 0.439 183 S N 3.810 119.527 115.700 0.028 0.000 2.510 183 S HA 0.384 4.854 4.470 -0.000 0.000 0.279 183 S C 1.308 175.884 174.600 -0.040 0.000 1.284 183 S CA -0.044 58.164 58.200 0.014 0.000 1.059 183 S CB 0.826 64.027 63.200 0.001 0.000 0.901 183 S HN 0.937 nan 8.310 nan 0.000 0.491 184 A N 5.432 128.272 122.820 0.034 0.000 1.933 184 A HA 0.049 4.369 4.320 -0.000 0.000 0.218 184 A C 2.348 179.812 177.584 -0.199 0.000 1.175 184 A CA 1.885 53.985 52.037 0.105 0.000 0.628 184 A CB -1.472 17.754 19.000 0.377 0.000 0.814 184 A HN 1.133 nan 8.150 nan 0.000 0.444 185 K N -0.416 119.612 120.400 -0.620 0.000 2.152 185 K HA -0.190 4.129 4.320 -0.000 0.000 0.206 185 K C 1.514 177.922 176.600 -0.320 0.000 1.048 185 K CA 2.074 57.832 56.287 -0.882 0.000 0.933 185 K CB -0.756 31.279 32.500 -0.776 0.000 0.721 185 K HN 0.568 nan 8.250 nan 0.000 0.447 186 D N -1.616 118.671 120.400 -0.189 0.000 2.398 186 D HA 0.079 4.719 4.640 -0.000 0.000 0.210 186 D C 1.562 177.836 176.300 -0.043 0.000 1.094 186 D CA 0.615 54.578 54.000 -0.062 0.000 0.839 186 D CB 0.287 41.072 40.800 -0.026 0.000 0.963 186 D HN 0.348 nan 8.370 nan 0.000 0.506 187 T N -0.378 114.056 114.554 -0.200 0.000 2.652 187 T HA -0.138 4.212 4.350 -0.000 0.000 0.267 187 T C 0.253 174.778 174.700 -0.291 0.000 1.039 187 T CA 1.164 63.001 62.100 -0.439 0.000 1.153 187 T CB -0.256 68.182 68.868 -0.718 0.000 0.863 187 T HN 0.137 nan 8.240 nan 0.000 0.428 188 Y N 1.600 121.825 120.300 -0.126 0.000 2.304 188 Y HA 0.468 5.018 4.550 -0.000 0.000 0.328 188 Y C -0.028 175.775 175.900 -0.162 0.000 1.123 188 Y CA -1.626 56.316 58.100 -0.262 0.000 1.218 188 Y CB 0.397 38.743 38.460 -0.189 0.000 1.207 188 Y HN 0.170 nan 8.280 nan 0.000 0.495 189 F N -1.134 118.808 119.950 -0.014 0.000 2.691 189 F HA 0.856 5.383 4.527 -0.000 0.000 0.334 189 F C 0.101 175.872 175.800 -0.048 0.000 1.107 189 F CA -2.460 55.508 58.000 -0.054 0.000 0.991 189 F CB 0.773 39.685 39.000 -0.147 0.000 1.400 189 F HN 0.465 nan 8.300 nan 0.000 0.503 190 G N -0.293 108.678 108.800 0.286 0.000 2.546 190 G HA2 0.239 4.199 3.960 -0.000 0.000 0.320 190 G HA3 0.239 4.199 3.960 -0.000 0.000 0.320 190 G C -1.315 173.737 174.900 0.252 0.000 0.984 190 G CA -0.336 44.879 45.100 0.190 0.000 1.183 190 G HN 0.876 nan 8.290 nan 0.000 0.443 191 H N 2.061 121.210 119.070 0.130 0.000 3.432 191 H HA 0.067 4.623 4.556 -0.000 0.000 0.252 191 H C 1.095 176.468 175.328 0.075 0.000 1.397 191 H CA 0.302 56.418 56.048 0.112 0.000 1.549 191 H CB 0.243 30.038 29.762 0.054 0.000 1.699 191 H HN 0.470 nan 8.280 nan 0.000 0.523 192 Q N 4.014 123.819 119.800 0.007 0.000 3.141 192 Q HA 0.210 4.550 4.340 -0.000 0.000 0.304 192 Q C 0.440 176.415 176.000 -0.041 0.000 1.305 192 Q CA 0.226 56.032 55.803 0.004 0.000 0.929 192 Q CB 0.104 28.848 28.738 0.010 0.000 1.701 192 Q HN 0.990 nan 8.270 nan 0.000 0.483 193 G N 0.692 109.488 108.800 -0.007 0.000 2.525 193 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.685 193 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.685 193 G C -0.813 174.089 174.900 0.004 0.000 1.290 193 G CA -1.165 43.944 45.100 0.014 0.000 0.915 193 G HN 0.417 nan 8.290 nan 0.000 0.548 194 R N 0.084 120.650 120.500 0.110 0.000 2.801 194 R HA 0.273 4.613 4.340 -0.000 0.000 0.273 194 R C 0.313 176.639 176.300 0.043 0.000 1.080 194 R CA -0.238 55.983 56.100 0.201 0.000 1.197 194 R CB 0.207 30.731 30.300 0.374 0.000 1.109 194 R HN 0.579 nan 8.270 nan 0.000 0.535 195 N N -0.326 118.419 118.700 0.075 0.000 2.456 195 N HA 0.384 5.124 4.740 -0.000 0.000 0.296 195 N C -1.229 174.132 175.510 -0.249 0.000 1.102 195 N CA -0.412 52.597 53.050 -0.068 0.000 0.924 195 N CB 2.109 40.606 38.487 0.016 0.000 1.186 195 N HN 0.555 nan 8.380 nan 0.000 0.492 196 A N 1.679 124.287 122.820 -0.354 0.000 2.340 196 A HA 0.353 4.673 4.320 -0.000 0.000 0.297 196 A C -0.853 176.792 177.584 0.102 0.000 1.195 196 A CA -0.669 51.095 52.037 -0.455 0.000 0.769 196 A CB 0.115 18.463 19.000 -1.087 0.000 1.163 196 A HN 0.595 nan 8.150 nan 0.000 0.472 197 F N 3.441 123.478 119.950 0.145 0.000 2.557 197 F HA 0.379 4.906 4.527 -0.000 0.000 0.384 197 F C 0.918 176.696 175.800 -0.037 0.000 1.057 197 F CA 0.069 58.051 58.000 -0.030 0.000 1.169 197 F CB 0.508 39.514 39.000 0.009 0.000 1.070 197 F HN 0.724 nan 8.300 nan 0.000 0.554 198 A N 7.753 130.210 122.820 -0.606 0.000 2.451 198 A HA 0.267 4.587 4.320 -0.000 0.000 0.266 198 A C 0.053 177.386 177.584 -0.420 0.000 1.119 198 A CA -0.463 51.285 52.037 -0.482 0.000 0.786 198 A CB -0.239 18.192 19.000 -0.949 0.000 1.061 198 A HN 0.880 nan 8.150 nan 0.000 0.503 199 L N 2.548 123.703 121.223 -0.114 0.000 2.583 199 L HA 0.327 4.667 4.340 -0.000 0.000 0.239 199 L C 1.025 177.838 176.870 -0.095 0.000 1.347 199 L CA 0.740 55.547 54.840 -0.054 0.000 1.246 199 L CB -1.242 40.835 42.059 0.030 0.000 1.496 199 L HN 1.062 nan 8.230 nan 0.000 0.413 200 N N -0.774 117.832 118.700 -0.158 0.000 4.976 200 N HA -0.160 4.580 4.740 -0.000 0.000 0.294 200 N C -0.008 175.440 175.510 -0.103 0.000 0.780 200 N CA -0.185 52.805 53.050 -0.101 0.000 0.693 200 N CB -2.054 nan 38.487 nan 0.000 1.699 200 N HN 0.285 nan 8.380 nan 0.000 0.666 201 Y N 0.348 120.556 120.300 -0.153 0.000 2.421 201 Y HA -0.151 4.399 4.550 -0.000 0.000 0.292 201 Y C 2.403 178.271 175.900 -0.053 0.000 1.136 201 Y CA 2.188 60.212 58.100 -0.126 0.000 1.255 201 Y CB 0.437 38.795 38.460 -0.170 0.000 0.991 201 Y HN 0.877 nan 8.280 nan 0.000 0.552 202 D N -1.646 118.812 120.400 0.097 0.000 2.178 202 D HA -0.146 4.494 4.640 -0.000 0.000 0.202 202 D C 1.902 178.225 176.300 0.040 0.000 0.974 202 D CA 1.394 55.434 54.000 0.067 0.000 0.841 202 D CB -0.660 40.163 40.800 0.037 0.000 0.953 202 D HN 0.143 nan 8.370 nan 0.000 0.478 203 S N -0.198 115.508 115.700 0.009 0.000 2.402 203 S HA -0.058 4.412 4.470 -0.000 0.000 0.229 203 S C 2.212 176.818 174.600 0.011 0.000 1.021 203 S CA 0.698 58.894 58.200 -0.007 0.000 0.974 203 S CB -0.119 63.061 63.200 -0.033 0.000 0.800 203 S HN 0.201 nan 8.310 nan 0.000 0.484 204 V N 1.239 121.168 119.914 0.025 0.000 2.323 204 V HA -0.103 4.017 4.120 -0.000 0.000 0.244 204 V C 2.302 178.462 176.094 0.110 0.000 1.041 204 V CA 1.262 63.599 62.300 0.061 0.000 1.025 204 V CB -0.721 31.141 31.823 0.065 0.000 0.656 204 V HN 0.326 nan 8.190 nan 0.000 0.451 205 V N 0.050 120.040 119.914 0.126 0.000 2.287 205 V HA -0.340 3.780 4.120 -0.000 0.000 0.248 205 V C 3.046 179.181 176.094 0.068 0.000 1.053 205 V CA 2.741 65.113 62.300 0.120 0.000 1.027 205 V CB -1.336 30.553 31.823 0.110 0.000 0.646 205 V HN 0.702 nan 8.190 nan 0.000 0.447 206 Q N 0.132 119.952 119.800 0.034 0.000 2.050 206 Q HA -0.267 4.073 4.340 -0.000 0.000 0.202 206 Q C 2.336 178.319 176.000 -0.028 0.000 0.980 206 Q CA 2.269 58.067 55.803 -0.009 0.000 0.840 206 Q CB -0.801 27.928 28.738 -0.015 0.000 0.898 206 Q HN 0.697 nan 8.270 nan 0.000 0.424 207 R N -0.294 120.206 120.500 -0.001 0.000 2.091 207 R HA -0.068 4.272 4.340 -0.000 0.000 0.238 207 R C 2.300 178.605 176.300 0.009 0.000 1.136 207 R CA 1.800 57.899 56.100 -0.001 0.000 0.959 207 R CB -0.436 29.877 30.300 0.022 0.000 0.856 207 R HN 0.598 nan 8.270 nan 0.000 0.437 208 I N 0.467 121.074 120.570 0.062 0.000 2.233 208 I HA -0.155 4.015 4.170 -0.000 0.000 0.243 208 I C 2.607 178.717 176.117 -0.011 0.000 1.093 208 I CA 1.034 62.399 61.300 0.108 0.000 1.380 208 I CB -0.468 37.666 38.000 0.224 0.000 1.067 208 I HN 0.270 nan 8.210 nan 0.000 0.413 209 A N 0.292 123.074 122.820 -0.063 0.000 1.948 209 A HA -0.275 4.045 4.320 -0.000 0.000 0.220 209 A C 2.183 179.371 177.584 -0.660 0.000 1.177 209 A CA 1.767 53.639 52.037 -0.274 0.000 0.636 209 A CB -0.626 18.301 19.000 -0.122 0.000 0.815 209 A HN 0.541 nan 8.150 nan 0.000 0.449 210 Q N -0.125 119.442 119.800 -0.388 0.000 2.403 210 Q HA -0.004 4.336 4.340 -0.000 0.000 0.203 210 Q C 1.664 177.446 176.000 -0.363 0.000 0.932 210 Q CA 0.704 56.278 55.803 -0.381 0.000 0.945 210 Q CB 0.008 28.625 28.738 -0.203 0.000 1.045 210 Q HN 0.819 nan 8.270 nan 0.000 0.511 211 S N 0.111 115.630 115.700 -0.301 0.000 2.660 211 S HA 0.049 4.519 4.470 -0.000 0.000 0.223 211 S C 0.180 174.728 174.600 -0.087 0.000 0.963 211 S CA -0.306 57.833 58.200 -0.102 0.000 0.932 211 S CB -0.440 62.796 63.200 0.060 0.000 0.775 211 S HN 0.331 nan 8.310 nan 0.000 0.531 212 F N -1.585 118.175 119.950 -0.318 0.000 2.685 212 F HA 0.759 5.286 4.527 -0.000 0.000 0.315 212 F C -3.198 172.147 175.800 -0.759 0.000 1.126 212 F CA -3.034 54.517 58.000 -0.749 0.000 0.950 212 F CB 0.032 38.651 39.000 -0.635 0.000 1.360 212 F HN -0.290 nan 8.300 nan 0.000 0.469 213 P HA 0.140 nan 4.420 nan 0.000 0.261 213 P C 0.375 177.564 177.300 -0.186 0.000 1.203 213 P CA 0.743 63.503 63.100 -0.567 0.000 0.767 213 P CB 0.864 32.080 31.700 -0.807 0.000 0.785 214 Q N 4.782 124.502 119.800 -0.133 0.000 2.133 214 Q HA -0.271 4.069 4.340 -0.000 0.000 0.208 214 Q C 1.704 177.774 176.000 0.116 0.000 0.991 214 Q CA 2.627 58.418 55.803 -0.019 0.000 0.867 214 Q CB -1.919 26.787 28.738 -0.053 0.000 0.911 214 Q HN 0.783 nan 8.270 nan 0.000 0.417 215 N N -1.814 116.955 118.700 0.115 0.000 2.635 215 N HA -0.110 4.630 4.740 -0.000 0.000 0.191 215 N C 1.079 176.784 175.510 0.325 0.000 1.155 215 N CA 1.216 54.377 53.050 0.183 0.000 0.927 215 N CB -0.258 38.324 38.487 0.157 0.000 0.976 215 N HN 0.640 nan 8.380 nan 0.000 0.448 216 W N 0.301 121.655 121.300 0.090 0.000 2.476 216 W HA 0.305 4.965 4.660 -0.000 0.000 0.281 216 W C 0.457 176.999 176.519 0.037 0.000 1.230 216 W CA -0.420 56.954 57.345 0.048 0.000 1.287 216 W CB -0.671 28.806 29.460 0.029 0.000 1.108 216 W HN 0.101 nan 8.180 nan 0.000 0.567 217 L N 1.600 123.026 121.223 0.339 0.000 2.367 217 L HA 0.172 4.512 4.340 -0.000 0.000 0.275 217 L C 0.017 176.953 176.870 0.110 0.000 1.129 217 L CA 0.351 55.318 54.840 0.212 0.000 0.839 217 L CB 0.787 42.985 42.059 0.232 0.000 1.133 217 L HN -0.425 nan 8.230 nan 0.000 0.453 218 K N 6.279 126.708 120.400 0.049 0.000 2.687 218 K HA 0.454 4.774 4.320 -0.000 0.000 0.197 218 K C -0.398 176.208 176.600 0.010 0.000 1.049 218 K CA -0.478 55.825 56.287 0.026 0.000 1.030 218 K CB 0.219 32.713 32.500 -0.011 0.000 1.261 218 K HN 0.613 nan 8.250 nan 0.000 0.565 219 L N 0.746 121.983 121.223 0.024 0.000 2.473 219 L HA 0.192 4.532 4.340 -0.000 0.000 0.268 219 L C 0.821 177.691 176.870 0.001 0.000 1.215 219 L CA 0.060 54.904 54.840 0.008 0.000 0.823 219 L CB 0.510 42.581 42.059 0.020 0.000 1.099 219 L HN 0.732 nan 8.230 nan 0.000 0.483 220 S N -0.326 115.362 115.700 -0.020 0.000 3.706 220 S HA -0.194 4.276 4.470 -0.000 0.000 0.363 220 S C -0.265 174.330 174.600 -0.008 0.000 0.999 220 S CA 0.334 58.526 58.200 -0.014 0.000 1.143 220 S CB -1.082 62.126 63.200 0.014 0.000 0.902 220 S HN 0.706 nan 8.310 nan 0.000 0.476 221 c N 2.198 120.777 118.600 -0.035 0.000 2.409 221 c HA 0.396 4.966 4.570 -0.000 0.000 0.297 221 c C 0.375 174.436 174.090 -0.049 0.000 1.083 221 c CA -0.622 55.698 56.329 -0.016 0.000 1.515 221 c CB -0.082 42.416 42.510 -0.021 0.000 1.869 221 c HN 0.659 nan 8.230 nan 0.000 0.413 222 E N 3.985 124.170 120.200 -0.025 0.000 1.932 222 E HA 0.255 4.605 4.350 -0.000 0.000 0.275 222 E C -0.241 176.356 176.600 -0.005 0.000 1.159 222 E CA -0.147 56.239 56.400 -0.025 0.000 0.905 222 E CB 0.677 30.408 29.700 0.052 0.000 1.059 222 E HN 0.594 nan 8.360 nan 0.000 0.400 223 V N 6.044 125.939 119.914 -0.030 0.000 2.557 223 V HA -0.124 3.996 4.120 -0.000 0.000 0.301 223 V C 1.304 177.377 176.094 -0.036 0.000 1.026 223 V CA 0.969 63.247 62.300 -0.037 0.000 1.137 223 V CB 0.602 32.384 31.823 -0.068 0.000 0.917 223 V HN 0.738 nan 8.190 nan 0.000 0.484 224 K N 2.667 123.043 120.400 -0.040 0.000 2.391 224 K HA 0.274 4.594 4.320 -0.000 0.000 0.197 224 K C 0.345 176.887 176.600 -0.096 0.000 1.087 224 K CA 0.350 56.609 56.287 -0.045 0.000 1.012 224 K CB 0.742 33.231 32.500 -0.017 0.000 0.925 224 K HN 0.666 nan 8.250 nan 0.000 0.547 225 S N 0.366 115.991 115.700 -0.125 0.000 2.548 225 S HA 0.523 4.993 4.470 -0.000 0.000 0.278 225 S C -0.997 173.487 174.600 -0.194 0.000 1.150 225 S CA -0.997 57.097 58.200 -0.177 0.000 0.907 225 S CB 1.049 64.190 63.200 -0.098 0.000 1.108 225 S HN 0.181 nan 8.310 nan 0.000 0.459 226 I N 2.157 122.548 120.570 -0.297 0.000 2.465 226 I HA 0.659 4.829 4.170 -0.000 0.000 0.291 226 I C -0.604 175.476 176.117 -0.061 0.000 1.014 226 I CA -0.346 60.838 61.300 -0.193 0.000 1.093 226 I CB 2.472 40.315 38.000 -0.261 0.000 1.267 226 I HN 0.799 nan 8.210 nan 0.000 0.431 227 T N 3.671 118.220 114.554 -0.009 0.000 2.923 227 T HA 0.720 5.070 4.350 -0.000 0.000 0.311 227 T C -0.444 174.267 174.700 0.018 0.000 1.183 227 T CA -0.786 61.329 62.100 0.026 0.000 1.020 227 T CB 1.959 70.833 68.868 0.011 0.000 1.165 227 T HN 0.666 nan 8.240 nan 0.000 0.482 228 R N 0.662 121.175 120.500 0.023 0.000 2.629 228 R HA 0.764 5.104 4.340 -0.000 0.000 0.275 228 R C -0.221 176.077 176.300 -0.003 0.000 1.719 228 R CA -0.197 55.903 56.100 -0.000 0.000 1.472 228 R CB -0.645 nan 30.300 nan 0.000 1.237 228 R HN 1.061 nan 8.270 nan 0.000 0.589 229 E N 3.630 123.827 120.200 -0.006 0.000 2.480 229 E HA 0.276 4.626 4.350 -0.000 0.000 0.258 229 E C -1.755 174.836 176.600 -0.014 0.000 0.984 229 E CA -1.345 55.051 56.400 -0.006 0.000 0.930 229 E CB -0.221 nan 29.700 nan 0.000 0.936 229 E HN 0.597 nan 8.360 nan 0.000 0.466 230 P HA 0.147 nan 4.420 nan 0.000 0.252 230 P C 0.081 177.368 177.300 -0.021 0.000 1.183 230 P CA 1.467 64.556 63.100 -0.018 0.000 0.973 230 P CB 0.008 31.701 31.700 -0.011 0.000 0.990 231 S N 1.087 116.769 115.700 -0.030 0.000 2.775 231 S HA 0.427 4.897 4.470 -0.000 0.000 0.227 231 S C 0.852 175.427 174.600 -0.042 0.000 0.845 231 S CA 0.477 58.659 58.200 -0.030 0.000 1.407 231 S CB -0.379 62.807 63.200 -0.024 0.000 1.259 231 S HN 0.396 nan 8.310 nan 0.000 0.612 232 K N -1.551 118.814 120.400 -0.058 0.000 3.338 232 K HA 0.171 4.491 4.320 -0.000 0.000 0.292 232 K C 0.239 176.782 176.600 -0.095 0.000 1.268 232 K CA 1.895 58.130 56.287 -0.085 0.000 0.853 232 K CB -3.010 nan 32.500 nan 0.000 1.342 232 K HN 2.481 nan 8.250 nan 0.000 0.501 233 N N -0.890 117.763 118.700 -0.078 0.000 2.308 233 N HA 0.749 5.489 4.740 -0.000 0.000 0.283 233 N C -0.543 174.933 175.510 -0.057 0.000 1.105 233 N CA -0.038 52.972 53.050 -0.068 0.000 0.840 233 N CB 2.319 40.780 38.487 -0.043 0.000 1.633 233 N HN 0.927 nan 8.380 nan 0.000 0.476 234 V N 0.950 120.830 119.914 -0.055 0.000 2.513 234 V HA 0.736 4.856 4.120 -0.000 0.000 0.299 234 V C 0.173 176.256 176.094 -0.019 0.000 1.035 234 V CA -0.531 61.746 62.300 -0.037 0.000 0.889 234 V CB 1.636 33.431 31.823 -0.046 0.000 0.988 234 V HN 0.855 nan 8.190 nan 0.000 0.440 235 T N 4.180 118.729 114.554 -0.009 0.000 2.786 235 T HA 0.604 4.954 4.350 -0.000 0.000 0.283 235 T C -0.407 174.296 174.700 0.005 0.000 0.992 235 T CA -0.309 61.794 62.100 0.005 0.000 0.954 235 T CB 1.412 70.280 68.868 -0.001 0.000 0.934 235 T HN 0.395 nan 8.240 nan 0.000 0.440 236 V N 4.148 124.084 119.914 0.037 0.000 2.581 236 V HA 0.601 4.721 4.120 -0.000 0.000 0.303 236 V C -0.481 175.672 176.094 0.098 0.000 1.041 236 V CA -1.086 61.231 62.300 0.028 0.000 0.907 236 V CB 1.894 33.712 31.823 -0.008 0.000 0.994 236 V HN 0.815 nan 8.190 nan 0.000 0.442 237 N N 1.455 120.183 118.700 0.048 0.000 2.352 237 N HA 0.575 5.315 4.740 -0.000 0.000 0.291 237 N C -1.010 174.531 175.510 0.051 0.000 1.040 237 N CA -0.336 52.752 53.050 0.063 0.000 0.864 237 N CB 1.636 40.130 38.487 0.011 0.000 1.440 237 N HN 0.671 nan 8.380 nan 0.000 0.483 238 c N 0.886 119.541 118.600 0.092 0.000 2.398 238 c HA 0.252 4.822 4.570 -0.000 0.000 0.364 238 c C 2.225 176.339 174.090 0.038 0.000 1.219 238 c CA -0.361 56.004 56.329 0.061 0.000 2.312 238 c CB 1.132 43.699 42.510 0.095 0.000 2.428 238 c HN 0.836 nan 8.230 nan 0.000 0.564 239 E N 2.029 122.247 120.200 0.030 0.000 2.113 239 E HA -0.267 4.083 4.350 -0.000 0.000 0.210 239 E C 1.690 178.304 176.600 0.024 0.000 1.040 239 E CA 2.675 59.092 56.400 0.028 0.000 0.847 239 E CB -0.193 29.531 29.700 0.040 0.000 0.755 239 E HN 0.866 nan 8.360 nan 0.000 0.459 240 D N -1.982 118.435 120.400 0.028 0.000 2.156 240 D HA -0.139 4.501 4.640 -0.000 0.000 0.190 240 D C 1.628 177.933 176.300 0.009 0.000 0.998 240 D CA 2.417 56.430 54.000 0.021 0.000 0.842 240 D CB -0.824 39.991 40.800 0.025 0.000 0.974 240 D HN 0.413 nan 8.370 nan 0.000 0.447 241 G N -1.680 107.123 108.800 0.005 0.000 4.258 241 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.208 241 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.208 241 G C 0.212 175.088 174.900 -0.040 0.000 0.777 241 G CA 0.352 45.443 45.100 -0.014 0.000 0.836 241 G HN 0.707 nan 8.290 nan 0.000 0.499 242 T N 0.521 115.049 114.554 -0.043 0.000 2.934 242 T HA 0.511 4.861 4.350 -0.000 0.000 0.306 242 T C 0.130 174.716 174.700 -0.191 0.000 1.042 242 T CA 0.038 62.051 62.100 -0.145 0.000 1.145 242 T CB 2.079 70.879 68.868 -0.113 0.000 0.982 242 T HN 0.537 nan 8.240 nan 0.000 0.544 243 V N 3.455 123.145 119.914 -0.373 0.000 2.864 243 V HA 0.703 4.823 4.120 -0.000 0.000 0.314 243 V C -1.002 174.780 176.094 -0.521 0.000 1.073 243 V CA -0.987 61.156 62.300 -0.262 0.000 0.956 243 V CB 1.578 33.320 31.823 -0.135 0.000 1.023 243 V HN 0.979 nan 8.190 nan 0.000 0.435 244 Y N 1.153 121.428 120.300 -0.041 0.000 2.677 244 Y HA 0.682 5.232 4.550 -0.000 0.000 0.334 244 Y C -0.155 175.715 175.900 -0.049 0.000 1.154 244 Y CA -1.220 56.852 58.100 -0.046 0.000 1.070 244 Y CB 1.905 40.332 38.460 -0.056 0.000 1.294 244 Y HN 0.732 nan 8.280 nan 0.000 0.475 245 N N 0.625 119.403 118.700 0.131 0.000 2.431 245 N HA 0.766 5.506 4.740 -0.000 0.000 0.275 245 N C -1.850 173.671 175.510 0.018 0.000 1.091 245 N CA -0.525 52.551 53.050 0.044 0.000 0.922 245 N CB 2.109 40.604 38.487 0.014 0.000 1.666 245 N HN 0.937 nan 8.380 nan 0.000 0.484 246 A N 0.744 123.557 122.820 -0.011 0.000 2.583 246 A HA 0.559 4.879 4.320 -0.000 0.000 0.289 246 A C -0.367 177.194 177.584 -0.039 0.000 1.151 246 A CA -0.528 51.494 52.037 -0.024 0.000 0.695 246 A CB 1.078 20.053 19.000 -0.042 0.000 1.290 246 A HN 0.552 nan 8.150 nan 0.000 0.419 247 D N -0.886 119.505 120.400 -0.014 0.000 2.162 247 D HA 0.121 4.761 4.640 -0.000 0.000 0.203 247 D C -0.505 175.640 176.300 -0.259 0.000 0.967 247 D CA 2.105 56.053 54.000 -0.087 0.000 0.840 247 D CB -0.012 40.828 40.800 0.066 0.000 0.972 247 D HN 0.450 nan 8.370 nan 0.000 0.482 248 Y N -1.409 118.846 120.300 -0.074 0.000 2.581 248 Y HA 0.505 5.055 4.550 -0.000 0.000 0.345 248 Y C -0.485 175.353 175.900 -0.105 0.000 1.036 248 Y CA -1.146 56.905 58.100 -0.081 0.000 1.042 248 Y CB 2.345 40.756 38.460 -0.082 0.000 1.289 248 Y HN -0.385 nan 8.280 nan 0.000 0.471 249 V N 3.955 123.898 119.914 0.048 0.000 2.733 249 V HA 0.597 4.717 4.120 -0.000 0.000 0.306 249 V C -1.568 174.477 176.094 -0.082 0.000 1.084 249 V CA -0.705 61.570 62.300 -0.043 0.000 0.905 249 V CB 1.650 33.435 31.823 -0.064 0.000 1.010 249 V HN 0.676 nan 8.190 nan 0.000 0.424 250 I N 7.542 128.051 120.570 -0.101 0.000 2.390 250 I HA 0.423 4.592 4.170 -0.000 0.000 0.283 250 I C -0.685 175.366 176.117 -0.109 0.000 1.016 250 I CA -0.490 60.739 61.300 -0.119 0.000 1.151 250 I CB 1.560 39.508 38.000 -0.087 0.000 1.293 250 I HN 0.444 nan 8.210 nan 0.000 0.458 251 I N 5.518 125.986 120.570 -0.169 0.000 2.379 251 I HA 0.059 4.229 4.170 -0.000 0.000 0.290 251 I C 1.383 177.561 176.117 0.101 0.000 1.063 251 I CA 0.452 61.725 61.300 -0.044 0.000 1.351 251 I CB 0.981 38.946 38.000 -0.058 0.000 1.410 251 I HN 0.600 nan 8.210 nan 0.000 0.505 252 T N 2.936 117.564 114.554 0.123 0.000 3.182 252 T HA 0.264 4.614 4.350 -0.000 0.000 0.277 252 T C 0.324 175.150 174.700 0.209 0.000 1.013 252 T CA -0.330 61.877 62.100 0.179 0.000 0.900 252 T CB -0.562 68.371 68.868 0.108 0.000 1.098 252 T HN 0.318 nan 8.240 nan 0.000 0.543 253 V N 0.394 120.432 119.914 0.207 0.000 3.139 253 V HA 0.442 4.562 4.120 -0.000 0.000 0.307 253 V C -2.207 173.970 176.094 0.140 0.000 1.095 253 V CA -1.805 60.594 62.300 0.165 0.000 1.160 253 V CB -0.190 31.734 31.823 0.168 0.000 1.003 253 V HN 0.191 nan 8.190 nan 0.000 0.489 254 P HA 0.077 nan 4.420 nan 0.000 0.272 254 P C 0.470 177.642 177.300 -0.214 0.000 1.230 254 P CA -0.082 62.950 63.100 -0.112 0.000 0.788 254 P CB 0.902 32.586 31.700 -0.027 0.000 0.949 255 Q N 2.018 121.494 119.800 -0.541 0.000 2.062 255 Q HA -0.226 4.114 4.340 -0.000 0.000 0.209 255 Q C 2.021 178.050 176.000 0.048 0.000 0.996 255 Q CA 3.087 58.719 55.803 -0.285 0.000 0.859 255 Q CB -0.498 28.078 28.738 -0.269 0.000 0.920 255 Q HN 0.602 nan 8.270 nan 0.000 0.415 256 S N -0.951 114.748 115.700 -0.000 0.000 2.419 256 S HA -0.120 4.350 4.470 -0.000 0.000 0.235 256 S C 1.877 176.486 174.600 0.016 0.000 1.019 256 S CA 1.383 59.596 58.200 0.022 0.000 0.982 256 S CB -0.443 62.762 63.200 0.008 0.000 0.789 256 S HN 0.280 nan 8.310 nan 0.000 0.490 257 V N 1.211 121.147 119.914 0.037 0.000 2.407 257 V HA 0.060 4.180 4.120 -0.000 0.000 0.245 257 V C 2.349 178.482 176.094 0.066 0.000 1.041 257 V CA 1.329 63.665 62.300 0.061 0.000 1.040 257 V CB -0.719 31.168 31.823 0.108 0.000 0.671 257 V HN 0.480 nan 8.190 nan 0.000 0.455 258 L N 1.165 122.454 121.223 0.111 0.000 2.362 258 L HA -0.058 4.282 4.340 -0.000 0.000 0.219 258 L C 1.878 178.710 176.870 -0.063 0.000 1.134 258 L CA 1.683 56.629 54.840 0.177 0.000 0.807 258 L CB -0.953 41.305 42.059 0.332 0.000 0.927 258 L HN 0.392 nan 8.230 nan 0.000 0.447 259 N N -1.068 117.498 118.700 -0.223 0.000 2.457 259 N HA -0.092 4.648 4.740 -0.000 0.000 0.180 259 N C 1.593 176.866 175.510 -0.396 0.000 1.050 259 N CA 0.797 53.417 53.050 -0.717 0.000 0.906 259 N CB -0.121 38.105 38.487 -0.434 0.000 0.968 259 N HN 0.450 nan 8.380 nan 0.000 0.445 260 L N -0.671 120.452 121.223 -0.167 0.000 2.217 260 L HA -0.002 4.338 4.340 -0.000 0.000 0.211 260 L C 1.892 178.723 176.870 -0.064 0.000 1.107 260 L CA 0.537 55.324 54.840 -0.089 0.000 0.783 260 L CB -0.374 41.670 42.059 -0.026 0.000 0.919 260 L HN 0.102 nan 8.230 nan 0.000 0.442 261 S N -0.053 115.628 115.700 -0.031 0.000 2.465 261 S HA -0.136 4.334 4.470 -0.000 0.000 0.241 261 S C 1.902 176.506 174.600 0.007 0.000 1.000 261 S CA 1.418 59.658 58.200 0.066 0.000 0.964 261 S CB -0.264 63.099 63.200 0.271 0.000 0.763 261 S HN 0.488 nan 8.310 nan 0.000 0.512 262 V N -1.857 117.995 119.914 -0.104 0.000 2.878 262 V HA 0.230 4.350 4.120 -0.000 0.000 0.250 262 V C 1.021 177.084 176.094 -0.051 0.000 1.075 262 V CA 0.837 63.084 62.300 -0.088 0.000 1.096 262 V CB -1.438 30.287 31.823 -0.162 0.000 0.724 262 V HN 0.495 nan 8.190 nan 0.000 0.467 263 Q N 0.888 120.655 119.800 -0.056 0.000 2.316 263 Q HA 0.718 5.058 4.340 -0.000 0.000 0.215 263 Q C -1.534 174.458 176.000 -0.013 0.000 1.020 263 Q CA -0.766 55.017 55.803 -0.032 0.000 0.970 263 Q CB -1.104 nan 28.738 nan 0.000 1.187 263 Q HN 0.656 nan 8.270 nan 0.000 0.546 264 P HA 0.723 nan 4.420 nan 0.000 0.290 264 P C -0.334 176.965 177.300 -0.002 0.000 1.275 264 P CA 0.983 64.082 63.100 -0.001 0.000 0.841 264 P CB 0.557 nan 31.700 nan 0.000 1.042 265 E N -0.715 119.486 120.200 0.000 0.000 6.476 265 E HA 0.224 4.574 4.350 -0.000 0.000 0.192 265 E C 0.603 177.202 176.600 -0.000 0.000 1.038 265 E CA 0.829 57.228 56.400 -0.000 0.000 1.477 265 E CB -2.671 nan 29.700 nan 0.000 0.945 265 E HN 1.153 nan 8.360 nan 0.000 0.332 266 K N 1.699 122.100 120.400 0.001 0.000 2.664 266 K HA 0.019 4.339 4.320 -0.000 0.000 0.193 266 K C 1.570 178.170 176.600 0.001 0.000 1.028 266 K CA 1.323 57.610 56.287 0.001 0.000 1.005 266 K CB -0.450 nan 32.500 nan 0.000 0.815 266 K HN 0.744 nan 8.250 nan 0.000 0.496 267 N N 0.438 119.138 118.700 0.000 0.000 2.244 267 N HA -0.078 4.662 4.740 -0.000 0.000 0.183 267 N C 0.082 175.591 175.510 -0.001 0.000 1.016 267 N CA 0.698 53.748 53.050 0.000 0.000 0.866 267 N CB -0.398 38.088 38.487 -0.002 0.000 0.980 267 N HN 0.302 nan 8.380 nan 0.000 0.430 268 L N 2.304 123.526 121.223 -0.003 0.000 2.601 268 L HA 0.043 4.383 4.340 -0.000 0.000 0.277 268 L C 1.093 177.964 176.870 0.001 0.000 1.219 268 L CA -0.215 54.620 54.840 -0.007 0.000 0.915 268 L CB -0.862 41.192 42.059 -0.008 0.000 1.160 268 L HN 0.348 nan 8.230 nan 0.000 0.494 269 R N 1.915 122.405 120.500 -0.017 0.000 2.484 269 R HA 0.425 4.765 4.340 -0.000 0.000 0.293 269 R C 1.300 177.618 176.300 0.030 0.000 1.023 269 R CA 1.305 57.398 56.100 -0.012 0.000 1.037 269 R CB -0.029 30.204 30.300 -0.112 0.000 0.951 269 R HN 1.007 nan 8.270 nan 0.000 0.418 270 G N 3.470 112.359 108.800 0.148 0.000 2.420 270 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.221 270 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.221 270 G C -0.034 174.934 174.900 0.114 0.000 1.117 270 G CA 0.073 45.301 45.100 0.213 0.000 0.657 270 G HN 0.716 nan 8.290 nan 0.000 0.512 271 R N 1.828 122.367 120.500 0.065 0.000 2.523 271 R HA 0.243 4.583 4.340 -0.000 0.000 0.281 271 R C -0.053 176.252 176.300 0.008 0.000 0.969 271 R CA 0.510 56.633 56.100 0.039 0.000 1.093 271 R CB -0.467 29.845 30.300 0.019 0.000 0.917 271 R HN 0.491 nan 8.270 nan 0.000 0.408 272 I N 2.943 123.502 120.570 -0.017 0.000 2.460 272 I HA 0.143 4.313 4.170 -0.000 0.000 0.298 272 I C 0.084 176.071 176.117 -0.217 0.000 0.989 272 I CA -0.817 60.379 61.300 -0.174 0.000 1.173 272 I CB 1.786 39.576 38.000 -0.349 0.000 1.338 272 I HN 0.490 nan 8.210 nan 0.000 0.456 273 E N 5.650 125.703 120.200 -0.246 0.000 2.046 273 E HA 0.353 4.702 4.350 -0.000 0.000 0.279 273 E C -1.524 174.948 176.600 -0.214 0.000 0.989 273 E CA -0.246 56.073 56.400 -0.134 0.000 0.798 273 E CB 0.375 30.036 29.700 -0.066 0.000 1.086 273 E HN 0.210 nan 8.360 nan 0.000 0.399 274 F N 3.309 123.282 119.950 0.038 0.000 2.394 274 F HA 0.385 4.912 4.527 -0.000 0.000 0.340 274 F C 0.400 176.219 175.800 0.033 0.000 1.105 274 F CA -0.452 57.574 58.000 0.044 0.000 1.124 274 F CB 1.451 40.495 39.000 0.074 0.000 1.145 274 F HN 0.303 nan 8.300 nan 0.000 0.505 275 Q N 5.999 125.920 119.800 0.202 0.000 2.294 275 Q HA 0.374 4.714 4.340 -0.000 0.000 0.264 275 Q C -2.735 173.328 176.000 0.106 0.000 0.992 275 Q CA -2.381 53.494 55.803 0.119 0.000 0.747 275 Q CB 1.774 30.549 28.738 0.062 0.000 1.262 275 Q HN 0.191 nan 8.270 nan 0.000 0.452 276 P HA 0.291 nan 4.420 nan 0.000 0.275 276 P C -2.525 174.852 177.300 0.127 0.000 1.266 276 P CA -1.198 61.955 63.100 0.088 0.000 0.793 276 P CB -0.043 31.692 31.700 0.057 0.000 1.074 277 P HA 0.106 nan 4.420 nan 0.000 0.269 277 P C 0.038 177.367 177.300 0.047 0.000 1.209 277 P CA 0.017 63.182 63.100 0.109 0.000 0.776 277 P CB 0.445 32.191 31.700 0.076 0.000 0.876 278 L N 2.507 123.717 121.223 -0.022 0.000 2.601 278 L HA -0.043 4.297 4.340 -0.000 0.000 0.277 278 L C 1.561 178.412 176.870 -0.031 0.000 1.219 278 L CA 0.108 54.886 54.840 -0.103 0.000 0.915 278 L CB -0.564 41.371 42.059 -0.205 0.000 1.160 278 L HN 0.412 nan 8.230 nan 0.000 0.494 279 K N 4.877 125.265 120.400 -0.021 0.000 2.518 279 K HA 0.014 4.334 4.320 -0.000 0.000 0.276 279 K C -1.687 174.908 176.600 -0.009 0.000 0.974 279 K CA -1.076 55.206 56.287 -0.008 0.000 0.986 279 K CB -0.044 32.452 32.500 -0.006 0.000 0.901 279 K HN 0.341 nan 8.250 nan 0.000 0.497 280 P HA -0.268 nan 4.420 nan 0.000 0.218 280 P C 1.518 178.816 177.300 -0.004 0.000 1.152 280 P CA 1.090 64.193 63.100 0.005 0.000 0.857 280 P CB -0.002 31.702 31.700 0.005 0.000 0.787 281 V N -0.343 119.559 119.914 -0.021 0.000 2.594 281 V HA -0.188 3.932 4.120 -0.000 0.000 0.253 281 V C 2.335 178.388 176.094 -0.068 0.000 1.069 281 V CA 1.484 63.760 62.300 -0.040 0.000 1.082 281 V CB -0.915 30.882 31.823 -0.044 0.000 0.680 281 V HN -0.084 nan 8.190 nan 0.000 0.469 282 I N -0.410 120.120 120.570 -0.067 0.000 2.277 282 I HA -0.146 4.024 4.170 -0.000 0.000 0.243 282 I C 2.554 178.687 176.117 0.027 0.000 1.094 282 I CA 1.394 62.632 61.300 -0.104 0.000 1.393 282 I CB -1.542 36.383 38.000 -0.124 0.000 1.078 282 I HN 0.401 nan 8.210 nan 0.000 0.417 283 Q N 0.618 120.490 119.800 0.119 0.000 2.124 283 Q HA -0.210 4.130 4.340 -0.000 0.000 0.202 283 Q C 1.760 177.888 176.000 0.214 0.000 0.977 283 Q CA 1.399 57.351 55.803 0.249 0.000 0.850 283 Q CB -0.151 28.651 28.738 0.106 0.000 0.901 283 Q HN 0.497 nan 8.270 nan 0.000 0.429 284 D N 0.757 121.200 120.400 0.072 0.000 2.149 284 D HA -0.140 4.500 4.640 -0.000 0.000 0.198 284 D C 1.847 178.143 176.300 -0.007 0.000 0.990 284 D CA 1.253 55.272 54.000 0.032 0.000 0.839 284 D CB -0.108 40.691 40.800 -0.002 0.000 0.948 284 D HN 0.246 nan 8.370 nan 0.000 0.460 285 A N 0.571 123.331 122.820 -0.099 0.000 1.948 285 A HA -0.208 4.112 4.320 -0.000 0.000 0.220 285 A C 2.005 179.437 177.584 -0.253 0.000 1.177 285 A CA 1.177 53.075 52.037 -0.232 0.000 0.636 285 A CB -1.149 nan 19.000 nan 0.000 0.815 285 A HN 0.201 nan 8.150 nan 0.000 0.449 286 F N 0.351 120.260 119.950 -0.068 0.000 2.333 286 F HA -0.126 4.401 4.527 -0.000 0.000 0.300 286 F C 1.828 177.586 175.800 -0.069 0.000 1.083 286 F CA 1.231 59.189 58.000 -0.069 0.000 1.395 286 F CB -0.144 38.821 39.000 -0.058 0.000 1.056 286 F HN 0.228 nan 8.300 nan 0.000 0.529 287 D N 0.381 120.838 120.400 0.095 0.000 2.348 287 D HA -0.055 4.585 4.640 -0.000 0.000 0.216 287 D C 1.703 178.003 176.300 -0.000 0.000 0.970 287 D CA 0.794 54.822 54.000 0.046 0.000 0.889 287 D CB -0.101 40.722 40.800 0.039 0.000 0.912 287 D HN 0.334 nan 8.370 nan 0.000 0.524 288 K N 1.035 121.413 120.400 -0.037 0.000 3.173 288 K HA 0.516 4.836 4.320 -0.000 0.000 0.255 288 K C 1.000 177.535 176.600 -0.108 0.000 1.235 288 K CA 0.501 56.751 56.287 -0.062 0.000 1.250 288 K CB -1.904 30.549 32.500 -0.077 0.000 1.382 288 K HN 0.272 nan 8.250 nan 0.000 0.421 289 I N -2.130 118.359 120.570 -0.135 0.000 5.504 289 I HA 0.165 4.335 4.170 -0.000 0.000 0.128 289 I C 0.818 176.729 176.117 -0.343 0.000 1.242 289 I CA 1.887 62.989 61.300 -0.329 0.000 2.596 289 I CB -1.901 nan 38.000 nan 0.000 2.176 289 I HN 2.536 nan 8.210 nan 0.000 0.313 290 H N -1.567 117.157 119.070 -0.576 0.000 2.942 290 H HA 0.729 5.285 4.556 -0.000 0.000 0.219 290 H C 0.763 175.895 175.328 -0.327 0.000 1.293 290 H CA 1.101 56.948 56.048 -0.336 0.000 1.176 290 H CB -0.991 nan 29.762 nan 0.000 1.785 290 H HN 3.418 nan 8.280 nan 0.000 0.370 291 F N -1.532 118.327 119.950 -0.151 0.000 2.099 291 F HA 0.377 4.904 4.527 -0.000 0.000 0.440 291 F C 1.031 176.803 175.800 -0.047 0.000 1.200 291 F CA 1.021 58.964 58.000 -0.095 0.000 1.429 291 F CB -1.390 37.575 39.000 -0.058 0.000 2.257 291 F HN 2.586 nan 8.300 nan 0.000 0.732 292 G N 0.698 109.416 108.800 -0.136 0.000 2.601 292 G HA2 1.018 4.978 3.960 -0.000 0.000 0.317 292 G HA3 1.018 4.978 3.960 -0.000 0.000 0.317 292 G C 0.421 175.228 174.900 -0.156 0.000 1.246 292 G CA -0.246 44.784 45.100 -0.117 0.000 1.012 292 G HN 2.694 nan 8.290 nan 0.000 0.494 293 A N 0.203 122.967 122.820 -0.093 0.000 3.214 293 A HA 0.504 4.824 4.320 -0.000 0.000 0.304 293 A C -0.223 177.352 177.584 -0.016 0.000 0.969 293 A CA -0.428 51.581 52.037 -0.046 0.000 0.986 293 A CB -0.132 18.869 19.000 0.002 0.000 1.073 293 A HN 0.606 nan 8.150 nan 0.000 0.487 294 L N 1.427 122.612 121.223 -0.062 0.000 2.513 294 L HA 0.529 4.869 4.340 -0.000 0.000 0.272 294 L C 0.637 177.587 176.870 0.132 0.000 1.187 294 L CA 0.809 55.684 54.840 0.058 0.000 0.895 294 L CB 0.562 42.703 42.059 0.135 0.000 1.147 294 L HN 0.403 nan 8.230 nan 0.000 0.483 295 G N 4.287 113.170 108.800 0.139 0.000 2.685 295 G HA2 0.653 4.612 3.960 -0.000 0.000 0.298 295 G HA3 0.653 4.612 3.960 -0.000 0.000 0.298 295 G C -1.366 173.611 174.900 0.129 0.000 1.277 295 G CA -0.735 44.462 45.100 0.162 0.000 0.986 295 G HN 0.550 nan 8.290 nan 0.000 0.487 296 K N -0.665 119.789 120.400 0.089 0.000 2.498 296 K HA 0.581 4.901 4.320 -0.000 0.000 0.254 296 K C -1.615 174.914 176.600 -0.118 0.000 0.933 296 K CA -0.674 55.619 56.287 0.009 0.000 0.806 296 K CB 3.084 35.621 32.500 0.061 0.000 1.301 296 K HN 0.261 nan 8.250 nan 0.000 0.432 297 V N 4.198 123.967 119.914 -0.242 0.000 2.482 297 V HA 0.380 4.500 4.120 -0.000 0.000 0.295 297 V C -0.619 175.111 176.094 -0.608 0.000 1.026 297 V CA -0.945 61.067 62.300 -0.479 0.000 0.856 297 V CB 1.519 32.930 31.823 -0.687 0.000 1.001 297 V HN 0.617 nan 8.190 nan 0.000 0.424 298 I N 4.737 124.933 120.570 -0.623 0.000 2.331 298 I HA 0.458 4.627 4.170 -0.000 0.000 0.292 298 I C -0.524 175.160 176.117 -0.722 0.000 0.998 298 I CA -0.329 60.617 61.300 -0.590 0.000 1.267 298 I CB 0.874 38.469 38.000 -0.675 0.000 1.386 298 I HN 0.414 nan 8.210 nan 0.000 0.476 299 F N 4.362 124.194 119.950 -0.197 0.000 2.375 299 F HA 0.363 4.890 4.527 -0.000 0.000 0.361 299 F C 0.662 176.231 175.800 -0.385 0.000 1.117 299 F CA -0.607 57.214 58.000 -0.299 0.000 1.037 299 F CB 1.061 39.951 39.000 -0.184 0.000 1.192 299 F HN 0.395 nan 8.300 nan 0.000 0.452 300 E N 4.052 124.064 120.200 -0.313 0.000 2.134 300 E HA 0.399 4.749 4.350 -0.000 0.000 0.278 300 E C -1.077 175.302 176.600 -0.369 0.000 0.959 300 E CA -0.522 55.786 56.400 -0.154 0.000 0.783 300 E CB 1.426 31.136 29.700 0.017 0.000 1.095 300 E HN 0.339 nan 8.360 nan 0.000 0.399 301 F N 0.753 120.749 119.950 0.077 0.000 2.497 301 F HA 0.205 4.732 4.527 -0.000 0.000 0.331 301 F C 1.798 177.684 175.800 0.142 0.000 1.060 301 F CA -0.690 57.354 58.000 0.073 0.000 0.989 301 F CB 1.008 40.115 39.000 0.179 0.000 1.245 301 F HN 0.481 nan 8.300 nan 0.000 0.486 302 E N 0.105 120.480 120.200 0.293 0.000 2.077 302 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 302 E C -0.219 176.526 176.600 0.242 0.000 0.989 302 E CA 1.360 57.934 56.400 0.290 0.000 0.800 302 E CB 0.267 30.077 29.700 0.183 0.000 0.746 302 E HN 0.711 nan 8.360 nan 0.000 0.452 303 E N -1.692 118.613 120.200 0.174 0.000 2.409 303 E HA 0.173 4.523 4.350 -0.000 0.000 0.280 303 E C -1.471 174.996 176.600 -0.220 0.000 1.079 303 E CA -0.833 55.576 56.400 0.016 0.000 0.840 303 E CB 0.689 30.376 29.700 -0.023 0.000 1.309 303 E HN 0.030 nan 8.360 nan 0.000 0.447 304 C N 1.656 120.650 119.300 -0.510 0.000 2.585 304 C HA 0.529 4.989 4.460 -0.000 0.000 0.406 304 C C 1.004 175.451 174.990 -0.905 0.000 1.312 304 C CA 0.151 58.386 59.018 -1.306 0.000 1.924 304 C CB -1.329 25.755 27.740 -1.094 0.000 2.578 304 C HN 0.725 nan 8.230 nan 0.000 0.580 305 C N 4.101 122.839 119.300 -0.937 0.000 3.304 305 C HA 0.580 5.040 4.460 -0.000 0.000 0.264 305 C C -0.610 174.305 174.990 -0.126 0.000 2.233 305 C CA -0.846 57.970 59.018 -0.338 0.000 1.661 305 C CB -2.294 25.378 27.740 -0.114 0.000 3.383 305 C HN 0.972 nan 8.230 nan 0.000 0.427 306 W N -0.611 120.646 121.300 -0.071 0.000 2.975 306 W HA 0.767 5.427 4.660 -0.000 0.000 0.342 306 W C -0.217 176.284 176.519 -0.031 0.000 1.168 306 W CA -1.219 56.092 57.345 -0.057 0.000 1.141 306 W CB 0.228 29.646 29.460 -0.070 0.000 1.445 306 W HN 0.056 nan 8.180 nan 0.000 0.560 307 S N 1.260 117.103 115.700 0.238 0.000 2.549 307 S HA 0.089 4.559 4.470 -0.000 0.000 0.283 307 S C 0.207 174.924 174.600 0.194 0.000 1.320 307 S CA -0.084 58.198 58.200 0.137 0.000 1.058 307 S CB 0.029 63.285 63.200 0.093 0.000 0.882 307 S HN 0.509 nan 8.310 nan 0.000 0.498 308 N N 3.487 122.244 118.700 0.095 0.000 2.380 308 N HA 0.082 4.822 4.740 -0.000 0.000 0.255 308 N C 1.071 176.609 175.510 0.047 0.000 1.158 308 N CA -0.101 53.006 53.050 0.096 0.000 0.878 308 N CB 0.429 38.947 38.487 0.052 0.000 1.138 308 N HN 0.825 nan 8.380 nan 0.000 0.509 309 E N 0.160 120.382 120.200 0.036 0.000 2.130 309 E HA -0.116 4.234 4.350 -0.000 0.000 0.196 309 E C -0.103 176.491 176.600 -0.010 0.000 0.998 309 E CA 0.720 57.126 56.400 0.009 0.000 0.806 309 E CB 0.288 29.991 29.700 0.005 0.000 0.738 309 E HN 0.124 nan 8.360 nan 0.000 0.459 310 S N -1.958 113.727 115.700 -0.025 0.000 2.550 310 S HA 0.200 4.670 4.470 -0.000 0.000 0.270 310 S C 0.175 174.717 174.600 -0.098 0.000 1.145 310 S CA -0.154 58.005 58.200 -0.068 0.000 0.852 310 S CB 1.611 64.746 63.200 -0.108 0.000 1.119 310 S HN 0.155 nan 8.310 nan 0.000 0.465 311 S N 1.942 117.570 115.700 -0.120 0.000 2.524 311 S HA 0.319 4.789 4.470 -0.000 0.000 0.216 311 S C 0.057 174.492 174.600 -0.275 0.000 0.987 311 S CA -0.067 58.047 58.200 -0.142 0.000 0.909 311 S CB -0.140 63.010 63.200 -0.083 0.000 0.781 311 S HN 0.492 nan 8.310 nan 0.000 0.521 312 K N 1.719 121.883 120.400 -0.393 0.000 2.339 312 K HA 0.578 4.898 4.320 -0.000 0.000 0.264 312 K C -1.083 175.186 176.600 -0.552 0.000 0.986 312 K CA -0.224 55.669 56.287 -0.657 0.000 0.866 312 K CB 1.423 33.084 32.500 -1.400 0.000 1.103 312 K HN 0.341 nan 8.250 nan 0.000 0.441 313 I N 1.891 122.212 120.570 -0.414 0.000 2.582 313 I HA 0.396 4.566 4.170 -0.000 0.000 0.292 313 I C -0.696 175.428 176.117 0.011 0.000 1.066 313 I CA -1.262 59.890 61.300 -0.247 0.000 1.053 313 I CB 2.391 40.185 38.000 -0.343 0.000 1.241 313 I HN 0.023 nan 8.210 nan 0.000 0.421 314 V N 3.558 123.528 119.914 0.093 0.000 2.569 314 V HA 0.387 4.507 4.120 -0.000 0.000 0.301 314 V C -0.116 176.162 176.094 0.306 0.000 1.044 314 V CA -0.571 61.920 62.300 0.319 0.000 0.874 314 V CB 2.363 34.446 31.823 0.434 0.000 1.002 314 V HN 0.862 nan 8.190 nan 0.000 0.424 315 T N 3.560 118.319 114.554 0.341 0.000 2.845 315 T HA 0.745 5.095 4.350 -0.000 0.000 0.288 315 T C -0.609 174.307 174.700 0.359 0.000 0.980 315 T CA -0.594 61.694 62.100 0.313 0.000 1.071 315 T CB 1.193 70.161 68.868 0.166 0.000 0.941 315 T HN 0.173 nan 8.240 nan 0.000 0.487 316 L N 2.752 124.214 121.223 0.397 0.000 2.312 316 L HA 0.619 4.959 4.340 -0.000 0.000 0.281 316 L C 0.919 178.007 176.870 0.363 0.000 1.070 316 L CA -0.487 54.548 54.840 0.326 0.000 0.805 316 L CB 0.626 42.851 42.059 0.276 0.000 1.174 316 L HN 1.014 nan 8.230 nan 0.000 0.434 317 A N 2.824 125.787 122.820 0.238 0.000 2.466 317 A HA 0.218 4.538 4.320 -0.000 0.000 0.238 317 A C 0.397 178.092 177.584 0.184 0.000 1.074 317 A CA -0.397 51.781 52.037 0.235 0.000 0.774 317 A CB -0.231 18.820 19.000 0.085 0.000 1.015 317 A HN 0.767 nan 8.150 nan 0.000 0.498 318 N N 0.326 119.121 118.700 0.158 0.000 2.305 318 N HA 0.253 4.993 4.740 -0.000 0.000 0.232 318 N C 0.231 175.749 175.510 0.015 0.000 1.274 318 N CA 1.060 54.129 53.050 0.032 0.000 0.870 318 N CB 0.372 38.845 38.487 -0.023 0.000 1.105 318 N HN 0.839 nan 8.380 nan 0.000 0.436 319 S N -1.951 113.744 115.700 -0.008 0.000 2.618 319 S HA 0.779 5.248 4.470 -0.000 0.000 0.277 319 S C -0.518 174.049 174.600 -0.055 0.000 1.138 319 S CA -0.937 57.221 58.200 -0.070 0.000 0.844 319 S CB 1.753 64.873 63.200 -0.134 0.000 1.127 319 S HN 0.607 nan 8.310 nan 0.000 0.474 320 T N -0.970 113.564 114.554 -0.034 0.000 2.906 320 T HA 0.534 4.883 4.350 -0.000 0.000 0.295 320 T C 0.027 174.756 174.700 0.047 0.000 1.075 320 T CA -0.879 61.229 62.100 0.013 0.000 1.005 320 T CB 1.358 70.254 68.868 0.046 0.000 1.136 320 T HN 0.411 nan 8.240 nan 0.000 0.498 321 N N 0.417 119.129 118.700 0.021 0.000 2.457 321 N HA -0.025 4.715 4.740 -0.000 0.000 0.180 321 N C 1.476 177.004 175.510 0.030 0.000 1.050 321 N CA 0.586 53.645 53.050 0.014 0.000 0.906 321 N CB -0.101 38.385 38.487 -0.002 0.000 0.968 321 N HN 0.867 nan 8.380 nan 0.000 0.445 322 E N -0.131 120.100 120.200 0.052 0.000 2.150 322 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 322 E C 1.560 178.197 176.600 0.062 0.000 0.985 322 E CA 0.397 56.823 56.400 0.042 0.000 0.814 322 E CB -0.077 29.652 29.700 0.049 0.000 0.752 322 E HN 0.239 nan 8.360 nan 0.000 0.466 323 F N 0.899 120.835 119.950 -0.024 0.000 2.126 323 F HA -0.218 4.309 4.527 -0.000 0.000 0.299 323 F C 1.870 177.649 175.800 -0.034 0.000 1.096 323 F CA 1.352 59.343 58.000 -0.015 0.000 1.255 323 F CB -0.415 38.583 39.000 -0.003 0.000 0.997 323 F HN -0.118 nan 8.300 nan 0.000 0.479 324 V N 0.364 120.201 119.914 -0.129 0.000 2.295 324 V HA -0.290 3.829 4.120 -0.000 0.000 0.246 324 V C 2.377 178.338 176.094 -0.222 0.000 1.049 324 V CA 2.167 64.334 62.300 -0.223 0.000 1.024 324 V CB -0.905 30.869 31.823 -0.081 0.000 0.648 324 V HN 0.316 nan 8.190 nan 0.000 0.447 325 E N 0.526 120.646 120.200 -0.134 0.000 2.085 325 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 325 E C 1.935 178.450 176.600 -0.143 0.000 0.994 325 E CA 1.712 58.045 56.400 -0.112 0.000 0.801 325 E CB -0.406 29.255 29.700 -0.065 0.000 0.743 325 E HN 0.615 nan 8.360 nan 0.000 0.453 326 I N -0.634 119.835 120.570 -0.169 0.000 2.226 326 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 326 I C 2.200 178.174 176.117 -0.239 0.000 1.100 326 I CA 0.712 61.908 61.300 -0.173 0.000 1.374 326 I CB -0.192 37.724 38.000 -0.140 0.000 1.057 326 I HN 0.049 nan 8.210 nan 0.000 0.413 327 V N 0.803 120.490 119.914 -0.377 0.000 2.343 327 V HA -0.228 3.892 4.120 -0.000 0.000 0.247 327 V C 2.570 178.513 176.094 -0.251 0.000 1.051 327 V CA 1.631 63.708 62.300 -0.371 0.000 1.036 327 V CB -0.696 30.820 31.823 -0.511 0.000 0.654 327 V HN 0.364 nan 8.190 nan 0.000 0.451 328 R N 0.348 120.716 120.500 -0.219 0.000 2.152 328 R HA -0.068 4.272 4.340 -0.000 0.000 0.232 328 R C 1.683 177.899 176.300 -0.141 0.000 1.117 328 R CA 1.319 57.317 56.100 -0.169 0.000 0.981 328 R CB -0.852 29.363 30.300 -0.141 0.000 0.870 328 R HN 0.674 nan 8.270 nan 0.000 0.451 329 N N -0.019 118.601 118.700 -0.133 0.000 2.356 329 N HA 0.104 4.844 4.740 -0.000 0.000 0.178 329 N C 0.031 175.481 175.510 -0.100 0.000 1.075 329 N CA -0.116 52.871 53.050 -0.104 0.000 0.889 329 N CB 0.369 38.804 38.487 -0.087 0.000 0.999 329 N HN 0.025 nan 8.380 nan 0.000 0.464 330 A N 1.286 124.036 122.820 -0.117 0.000 2.524 330 A HA 0.291 4.611 4.320 -0.000 0.000 0.250 330 A C 1.226 178.754 177.584 -0.094 0.000 1.078 330 A CA 0.516 52.492 52.037 -0.102 0.000 0.761 330 A CB 0.024 18.953 19.000 -0.118 0.000 1.012 330 A HN 0.469 nan 8.150 nan 0.000 0.500 331 E N 2.336 122.492 120.200 -0.074 0.000 2.158 331 E HA 0.012 4.362 4.350 -0.000 0.000 0.191 331 E C 0.611 177.172 176.600 -0.066 0.000 0.982 331 E CA 1.291 57.651 56.400 -0.067 0.000 0.823 331 E CB -0.443 29.225 29.700 -0.052 0.000 0.766 331 E HN 0.994 nan 8.360 nan 0.000 0.468 332 N N -4.213 114.449 118.700 -0.064 0.000 3.308 332 N HA 0.375 5.115 4.740 -0.000 0.000 0.276 332 N C 1.318 176.792 175.510 -0.061 0.000 1.533 332 N CA 0.126 53.140 53.050 -0.060 0.000 0.878 332 N CB 0.804 39.264 38.487 -0.046 0.000 1.566 332 N HN 0.414 nan 8.380 nan 0.000 0.546 333 L N -0.058 121.132 121.223 -0.055 0.000 2.043 333 L HA -0.168 4.172 4.340 -0.000 0.000 0.212 333 L C 1.996 178.841 176.870 -0.042 0.000 1.075 333 L CA 2.778 57.586 54.840 -0.053 0.000 0.752 333 L CB -1.649 40.384 42.059 -0.043 0.000 0.891 333 L HN 0.674 nan 8.230 nan 0.000 0.432 334 D N -1.279 119.101 120.400 -0.032 0.000 2.097 334 D HA -0.200 4.440 4.640 -0.000 0.000 0.197 334 D C 2.011 178.297 176.300 -0.024 0.000 0.984 334 D CA 1.462 55.449 54.000 -0.022 0.000 0.826 334 D CB -0.181 40.608 40.800 -0.018 0.000 0.973 334 D HN 0.807 nan 8.370 nan 0.000 0.460 335 E N 0.552 120.733 120.200 -0.031 0.000 2.160 335 E HA -0.160 4.190 4.350 -0.000 0.000 0.195 335 E C 2.250 178.828 176.600 -0.037 0.000 0.991 335 E CA 0.455 56.836 56.400 -0.033 0.000 0.810 335 E CB -0.081 29.595 29.700 -0.041 0.000 0.742 335 E HN 0.205 nan 8.360 nan 0.000 0.466 336 L N 0.389 121.583 121.223 -0.048 0.000 2.109 336 L HA -0.119 4.221 4.340 -0.000 0.000 0.207 336 L C 2.376 179.235 176.870 -0.018 0.000 1.086 336 L CA 1.815 56.623 54.840 -0.054 0.000 0.760 336 L CB -0.753 41.254 42.059 -0.086 0.000 0.910 336 L HN 0.303 nan 8.230 nan 0.000 0.437 337 D N -0.560 119.833 120.400 -0.011 0.000 2.087 337 D HA -0.259 4.381 4.640 -0.000 0.000 0.192 337 D C 2.154 178.473 176.300 0.031 0.000 0.993 337 D CA 2.001 56.013 54.000 0.021 0.000 0.828 337 D CB -0.832 nan 40.800 nan 0.000 0.968 337 D HN 0.613 nan 8.370 nan 0.000 0.448 338 S N -0.652 115.056 115.700 0.013 0.000 2.357 338 S HA -0.126 4.344 4.470 -0.000 0.000 0.221 338 S C 2.268 176.876 174.600 0.015 0.000 1.031 338 S CA 1.589 59.797 58.200 0.013 0.000 0.982 338 S CB -0.436 62.766 63.200 0.003 0.000 0.853 338 S HN 0.501 nan 8.310 nan 0.000 0.458 339 M N 0.855 120.458 119.600 0.005 0.000 2.255 339 M HA 0.043 4.523 4.480 -0.000 0.000 0.259 339 M C 0.276 176.590 176.300 0.023 0.000 1.071 339 M CA 1.272 56.573 55.300 0.001 0.000 1.074 339 M CB -0.434 32.154 32.600 -0.020 0.000 1.384 339 M HN 0.312 nan 8.290 nan 0.000 0.415 340 L N 1.731 122.981 121.223 0.045 0.000 2.583 340 L HA 0.155 4.495 4.340 -0.000 0.000 0.239 340 L C 0.225 177.138 176.870 0.071 0.000 1.347 340 L CA -0.468 54.426 54.840 0.089 0.000 1.246 340 L CB -0.717 41.431 42.059 0.149 0.000 1.496 340 L HN 0.155 nan 8.230 nan 0.000 0.413 341 E N 0.775 121.004 120.200 0.048 0.000 2.256 341 E HA 0.573 4.923 4.350 -0.000 0.000 0.243 341 E C 0.387 177.007 176.600 0.034 0.000 0.925 341 E CA -0.563 55.858 56.400 0.034 0.000 0.748 341 E CB 0.739 nan 29.700 nan 0.000 1.206 341 E HN 0.506 nan 8.360 nan 0.000 0.428 342 R N 0.944 121.466 120.500 0.037 0.000 4.017 342 R HA 0.656 4.996 4.340 -0.000 0.000 0.272 342 R C 0.553 176.868 176.300 0.024 0.000 1.516 342 R CA 0.413 56.534 56.100 0.035 0.000 1.519 342 R CB -0.966 29.361 30.300 0.046 0.000 1.422 342 R HN 0.976 nan 8.270 nan 0.000 0.719 350 S N -0.492 115.232 115.700 0.040 0.000 2.818 350 S HA 0.365 4.835 4.470 -0.000 0.000 0.848 350 S C -0.003 174.643 174.600 0.077 0.000 0.793 350 S CA -0.099 58.131 58.200 0.049 0.000 1.537 350 S CB -1.760 61.464 63.200 0.040 0.000 1.099 350 S HN 2.080 nan 8.310 nan 0.000 0.425 351 V N 4.523 124.502 119.914 0.108 0.000 2.637 351 V HA 0.753 4.873 4.120 -0.000 0.000 0.296 351 V C 1.151 177.372 176.094 0.210 0.000 1.046 351 V CA 0.714 63.111 62.300 0.163 0.000 1.066 351 V CB 1.151 33.098 31.823 0.208 0.000 0.968 351 V HN 1.674 nan 8.190 nan 0.000 0.483 352 T N 0.009 114.623 114.554 0.099 0.000 2.887 352 T HA 0.213 4.563 4.350 -0.000 0.000 0.292 352 T C 1.122 175.547 174.700 -0.458 0.000 1.087 352 T CA -0.105 61.869 62.100 -0.211 0.000 1.009 352 T CB 1.218 70.014 68.868 -0.121 0.000 1.203 352 T HN 0.851 nan 8.240 nan 0.000 0.518 353 C N -1.700 116.928 119.300 -1.121 0.000 2.413 353 C HA 0.078 4.538 4.460 -0.000 0.000 0.292 353 C C 1.469 176.142 174.990 -0.528 0.000 1.435 353 C CA -0.240 58.229 59.018 -0.916 0.000 1.791 353 C CB -2.166 24.934 27.740 -1.066 0.000 1.784 353 C HN 0.802 nan 8.230 nan 0.000 0.548 354 W N 0.951 122.156 121.300 -0.159 0.000 3.239 354 W HA 0.298 4.958 4.660 -0.000 0.000 0.368 354 W C 2.019 178.528 176.519 -0.017 0.000 1.154 354 W CA -0.181 57.132 57.345 -0.052 0.000 1.860 354 W CB -0.075 29.351 29.460 -0.057 0.000 1.094 354 W HN 0.119 nan 8.180 nan 0.000 0.643 355 S N 0.536 116.327 115.700 0.151 0.000 2.558 355 S HA 0.011 4.481 4.470 -0.000 0.000 0.217 355 S C 0.601 175.263 174.600 0.104 0.000 0.975 355 S CA 0.292 58.569 58.200 0.129 0.000 0.912 355 S CB -0.114 63.158 63.200 0.121 0.000 0.776 355 S HN 0.233 nan 8.310 nan 0.000 0.526 356 Q N 0.205 120.068 119.800 0.104 0.000 2.575 356 Q HA 0.412 4.752 4.340 -0.000 0.000 0.290 356 Q C -3.590 172.468 176.000 0.096 0.000 0.963 356 Q CA -2.267 53.578 55.803 0.068 0.000 0.783 356 Q CB 0.632 29.418 28.738 0.079 0.000 1.467 356 Q HN -0.091 nan 8.270 nan 0.000 0.402 357 P HA 0.402 nan 4.420 nan 0.000 0.274 357 P C -0.674 176.732 177.300 0.176 0.000 1.231 357 P CA -0.258 62.932 63.100 0.151 0.000 0.790 357 P CB 0.892 32.673 31.700 0.135 0.000 0.951 358 L N 2.189 123.548 121.223 0.227 0.000 2.431 358 L HA 0.460 4.800 4.340 -0.000 0.000 0.266 358 L C -0.481 176.519 176.870 0.216 0.000 0.978 358 L CA -0.918 54.019 54.840 0.160 0.000 0.822 358 L CB 2.057 44.189 42.059 0.122 0.000 1.310 358 L HN 0.276 nan 8.230 nan 0.000 0.409 359 F N 3.489 123.390 119.950 -0.082 0.000 2.388 359 F HA 0.589 5.116 4.527 -0.000 0.000 0.358 359 F C -1.097 174.582 175.800 -0.202 0.000 1.122 359 F CA -0.845 57.147 58.000 -0.013 0.000 1.056 359 F CB 0.604 39.639 39.000 0.058 0.000 1.155 359 F HN 0.086 nan 8.300 nan 0.000 0.461 360 F N 5.514 125.128 119.950 -0.560 0.000 2.427 360 F HA 0.526 5.053 4.527 -0.000 0.000 0.346 360 F C -0.390 174.883 175.800 -0.878 0.000 1.120 360 F CA -1.130 56.502 58.000 -0.614 0.000 1.033 360 F CB 1.584 40.243 39.000 -0.568 0.000 1.126 360 F HN 0.052 nan 8.300 nan 0.000 0.462 361 V N 3.417 123.041 119.914 -0.484 0.000 2.364 361 V HA 0.157 4.276 4.120 -0.000 0.000 0.272 361 V C 0.091 176.072 176.094 -0.188 0.000 1.036 361 V CA -0.921 61.160 62.300 -0.364 0.000 0.880 361 V CB 1.135 32.867 31.823 -0.152 0.000 0.991 361 V HN 0.796 nan 8.190 nan 0.000 0.460 362 N N 5.053 123.620 118.700 -0.221 0.000 2.508 362 N HA 0.187 4.927 4.740 -0.000 0.000 0.253 362 N C 0.842 176.427 175.510 0.125 0.000 1.145 362 N CA -0.531 52.517 53.050 -0.004 0.000 0.973 362 N CB 0.568 39.018 38.487 -0.063 0.000 1.305 362 N HN 0.693 nan 8.380 nan 0.000 0.506 363 L N 2.240 123.588 121.223 0.209 0.000 2.549 363 L HA -0.095 4.245 4.340 -0.000 0.000 0.229 363 L C 2.418 179.386 176.870 0.163 0.000 1.158 363 L CA 0.242 55.154 54.840 0.120 0.000 0.842 363 L CB -0.308 41.856 42.059 0.174 0.000 0.952 363 L HN 0.553 nan 8.230 nan 0.000 0.452 364 S N 0.212 116.071 115.700 0.265 0.000 2.368 364 S HA -0.202 4.268 4.470 -0.000 0.000 0.224 364 S C 2.092 176.755 174.600 0.106 0.000 1.029 364 S CA 1.399 59.719 58.200 0.199 0.000 0.988 364 S CB 0.088 63.448 63.200 0.267 0.000 0.838 364 S HN 0.410 nan 8.310 nan 0.000 0.462 365 K N 0.542 121.006 120.400 0.107 0.000 2.031 365 K HA -0.054 4.266 4.320 -0.000 0.000 0.205 365 K C 2.297 178.922 176.600 0.043 0.000 1.049 365 K CA 1.685 58.007 56.287 0.059 0.000 0.939 365 K CB -0.344 32.185 32.500 0.049 0.000 0.717 365 K HN 0.521 nan 8.250 nan 0.000 0.438 366 S N -0.876 114.840 115.700 0.026 0.000 2.436 366 S HA -0.072 4.398 4.470 -0.000 0.000 0.228 366 S C 1.695 176.316 174.600 0.034 0.000 1.014 366 S CA 1.220 59.431 58.200 0.018 0.000 0.950 366 S CB 0.049 63.218 63.200 -0.051 0.000 0.784 366 S HN 0.499 nan 8.310 nan 0.000 0.504 367 T N -4.485 110.088 114.554 0.032 0.000 3.087 367 T HA 0.590 4.940 4.350 -0.000 0.000 0.283 367 T C 1.482 176.216 174.700 0.058 0.000 0.956 367 T CA 0.714 62.848 62.100 0.057 0.000 0.894 367 T CB 0.313 69.225 68.868 0.073 0.000 1.160 367 T HN 1.049 nan 8.240 nan 0.000 0.532 368 G N 1.594 110.428 108.800 0.057 0.000 2.417 368 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.233 368 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.233 368 G C 0.153 175.093 174.900 0.067 0.000 1.103 368 G CA -0.050 45.077 45.100 0.044 0.000 0.647 368 G HN 0.917 nan 8.290 nan 0.000 0.512 369 V N 1.969 121.943 119.914 0.100 0.000 2.673 369 V HA 0.408 4.528 4.120 -0.000 0.000 0.303 369 V C 1.336 177.570 176.094 0.234 0.000 1.046 369 V CA 0.646 63.035 62.300 0.149 0.000 1.126 369 V CB 1.278 33.202 31.823 0.169 0.000 0.934 369 V HN 1.397 nan 8.190 nan 0.000 0.487 370 A N 4.407 127.379 122.820 0.253 0.000 3.091 370 A HA 0.568 4.888 4.320 -0.000 0.000 0.264 370 A C 0.537 178.436 177.584 0.525 0.000 1.673 370 A CA -0.063 52.197 52.037 0.372 0.000 1.362 370 A CB -0.519 18.629 19.000 0.245 0.000 1.137 370 A HN 0.756 nan 8.150 nan 0.000 0.617 371 S N -0.202 115.792 115.700 0.490 0.000 2.618 371 S HA 0.810 5.280 4.470 -0.000 0.000 0.277 371 S C -1.268 173.633 174.600 0.502 0.000 1.138 371 S CA -0.474 57.978 58.200 0.420 0.000 0.844 371 S CB 1.074 64.501 63.200 0.378 0.000 1.127 371 S HN 0.305 nan 8.310 nan 0.000 0.474 372 F N 1.829 121.960 119.950 0.302 0.000 2.482 372 F HA 0.527 5.054 4.527 -0.000 0.000 0.331 372 F C 0.030 175.908 175.800 0.130 0.000 1.115 372 F CA -1.476 56.664 58.000 0.234 0.000 0.955 372 F CB 1.543 40.760 39.000 0.361 0.000 1.136 372 F HN 0.386 nan 8.300 nan 0.000 0.452 373 M N 6.086 125.815 119.600 0.214 0.000 2.088 373 M HA 0.421 4.901 4.480 -0.000 0.000 0.346 373 M C -1.226 175.057 176.300 -0.028 0.000 1.111 373 M CA -0.141 55.186 55.300 0.044 0.000 1.017 373 M CB 0.930 33.563 32.600 0.055 0.000 1.568 373 M HN 0.685 nan 8.290 nan 0.000 0.445 374 M N 4.864 124.405 119.600 -0.099 0.000 2.336 374 M HA 0.459 4.939 4.480 -0.000 0.000 0.342 374 M C -1.967 174.236 176.300 -0.163 0.000 1.128 374 M CA -0.855 54.253 55.300 -0.321 0.000 1.016 374 M CB 1.399 33.695 32.600 -0.506 0.000 1.665 374 M HN 0.641 nan 8.290 nan 0.000 0.445 375 L N 5.830 127.009 121.223 -0.073 0.000 2.317 375 L HA 0.647 4.987 4.340 -0.000 0.000 0.281 375 L C -0.250 176.664 176.870 0.074 0.000 1.024 375 L CA -0.150 54.754 54.840 0.106 0.000 0.810 375 L CB 1.855 44.106 42.059 0.319 0.000 1.240 375 L HN 0.819 nan 8.230 nan 0.000 0.427 376 M N 1.843 121.500 119.600 0.094 0.000 2.691 376 M HA 0.777 5.257 4.480 -0.000 0.000 0.293 376 M C -1.249 175.112 176.300 0.102 0.000 1.259 376 M CA -0.810 54.555 55.300 0.108 0.000 0.827 376 M CB 2.436 35.114 32.600 0.129 0.000 1.753 376 M HN 0.500 nan 8.290 nan 0.000 0.465 377 Q N 1.471 121.325 119.800 0.091 0.000 2.496 377 Q HA 0.805 5.145 4.340 -0.000 0.000 0.286 377 Q C -1.391 174.627 176.000 0.030 0.000 1.103 377 Q CA -0.791 55.053 55.803 0.069 0.000 0.813 377 Q CB 1.816 30.606 28.738 0.087 0.000 1.444 377 Q HN 0.958 nan 8.270 nan 0.000 0.443 378 A N 2.030 124.857 122.820 0.012 0.000 2.462 378 A HA 0.387 4.706 4.320 -0.000 0.000 0.243 378 A C -1.620 175.947 177.584 -0.028 0.000 1.076 378 A CA -0.860 51.157 52.037 -0.033 0.000 0.773 378 A CB -0.138 18.852 19.000 -0.016 0.000 1.010 378 A HN 0.718 nan 8.150 nan 0.000 0.493 379 P HA -0.024 nan 4.420 nan 0.000 0.245 379 P C 1.382 178.439 177.300 -0.405 0.000 1.206 379 P CA 0.142 63.107 63.100 -0.226 0.000 0.781 379 P CB 0.209 31.795 31.700 -0.190 0.000 0.994 380 L N 0.285 121.406 121.223 -0.170 0.000 2.042 380 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 380 L C 2.073 178.883 176.870 -0.101 0.000 1.076 380 L CA 2.131 56.914 54.840 -0.096 0.000 0.749 380 L CB -1.214 40.881 42.059 0.059 0.000 0.893 380 L HN 0.034 nan 8.230 nan 0.000 0.432 381 T N 0.315 114.836 114.554 -0.056 0.000 2.597 381 T HA -0.247 4.103 4.350 -0.000 0.000 0.267 381 T C 1.598 176.278 174.700 -0.034 0.000 1.053 381 T CA 1.966 64.058 62.100 -0.012 0.000 1.165 381 T CB -0.468 68.409 68.868 0.015 0.000 0.863 381 T HN 0.480 nan 8.240 nan 0.000 0.427 382 N N 0.674 119.317 118.700 -0.096 0.000 2.104 382 N HA -0.140 4.600 4.740 -0.000 0.000 0.190 382 N C 1.760 177.289 175.510 0.032 0.000 1.024 382 N CA 1.471 54.490 53.050 -0.052 0.000 0.853 382 N CB -0.469 37.966 38.487 -0.087 0.000 1.008 382 N HN 0.654 nan 8.380 nan 0.000 0.424 383 H N 0.684 119.731 119.070 -0.039 0.000 2.299 383 H HA 0.034 4.590 4.556 -0.000 0.000 0.302 383 H C 2.079 177.338 175.328 -0.114 0.000 1.078 383 H CA 0.472 56.472 56.048 -0.080 0.000 1.323 383 H CB 0.179 29.878 29.762 -0.105 0.000 1.381 383 H HN 0.067 nan 8.280 nan 0.000 0.498 384 I N 1.545 122.117 120.570 0.004 0.000 2.208 384 I HA -0.216 3.954 4.170 -0.000 0.000 0.245 384 I C 1.970 178.080 176.117 -0.013 0.000 1.097 384 I CA 1.437 62.712 61.300 -0.042 0.000 1.363 384 I CB -0.952 37.070 38.000 0.037 0.000 1.051 384 I HN 0.395 nan 8.210 nan 0.000 0.413 385 E N 0.244 120.441 120.200 -0.005 0.000 2.268 385 E HA -0.115 4.235 4.350 -0.000 0.000 0.195 385 E C 2.200 178.785 176.600 -0.025 0.000 0.995 385 E CA 0.962 57.347 56.400 -0.024 0.000 0.836 385 E CB -0.016 29.669 29.700 -0.025 0.000 0.763 385 E HN 0.360 nan 8.360 nan 0.000 0.491 386 S N 1.008 116.704 115.700 -0.005 0.000 2.428 386 S HA -0.047 4.423 4.470 -0.000 0.000 0.230 386 S C 1.720 176.306 174.600 -0.022 0.000 1.014 386 S CA 0.662 58.857 58.200 -0.008 0.000 0.957 386 S CB -0.061 63.146 63.200 0.013 0.000 0.784 386 S HN 0.383 nan 8.310 nan 0.000 0.499 387 I N 0.017 120.570 120.570 -0.028 0.000 3.654 387 I HA 0.346 4.516 4.170 -0.000 0.000 0.337 387 I C 1.382 177.487 176.117 -0.021 0.000 1.568 387 I CA -0.497 60.786 61.300 -0.028 0.000 1.115 387 I CB 0.127 38.103 38.000 -0.040 0.000 1.300 387 I HN 0.041 nan 8.210 nan 0.000 0.471 388 R N 0.195 120.676 120.500 -0.030 0.000 2.193 388 R HA -0.028 4.312 4.340 -0.000 0.000 0.229 388 R C 0.880 177.159 176.300 -0.036 0.000 1.110 388 R CA 1.009 57.085 56.100 -0.040 0.000 0.988 388 R CB -0.288 29.973 30.300 -0.065 0.000 0.871 388 R HN 0.412 nan 8.270 nan 0.000 0.458 389 E N 1.067 121.249 120.200 -0.029 0.000 2.230 389 E HA -0.050 4.300 4.350 -0.000 0.000 0.192 389 E C -0.066 176.529 176.600 -0.009 0.000 0.987 389 E CA 0.463 56.849 56.400 -0.023 0.000 0.841 389 E CB -0.070 29.616 29.700 -0.023 0.000 0.783 389 E HN 0.276 nan 8.360 nan 0.000 0.481 390 D N 1.623 122.024 120.400 0.001 0.000 2.517 390 D HA -0.000 4.640 4.640 -0.000 0.000 0.220 390 D C 0.818 177.145 176.300 0.045 0.000 1.158 390 D CA -0.078 53.933 54.000 0.019 0.000 0.992 390 D CB 0.305 41.116 40.800 0.019 0.000 1.058 390 D HN -0.240 nan 8.370 nan 0.000 0.516 391 K N 1.932 122.355 120.400 0.038 0.000 2.103 391 K HA -0.155 4.165 4.320 -0.000 0.000 0.207 391 K C 1.582 178.258 176.600 0.127 0.000 1.048 391 K CA 0.901 57.225 56.287 0.062 0.000 0.930 391 K CB 0.103 32.614 32.500 0.018 0.000 0.716 391 K HN 0.516 nan 8.250 nan 0.000 0.444 392 E N 0.501 120.765 120.200 0.106 0.000 2.023 392 E HA -0.181 4.169 4.350 -0.000 0.000 0.196 392 E C 2.258 178.980 176.600 0.203 0.000 1.003 392 E CA 1.198 57.688 56.400 0.151 0.000 0.809 392 E CB -0.118 29.641 29.700 0.098 0.000 0.755 392 E HN 0.213 nan 8.360 nan 0.000 0.449 393 R N 0.770 121.355 120.500 0.142 0.000 2.091 393 R HA -0.170 4.170 4.340 -0.000 0.000 0.238 393 R C 2.370 178.787 176.300 0.195 0.000 1.136 393 R CA 1.129 57.311 56.100 0.136 0.000 0.959 393 R CB -0.268 30.078 30.300 0.077 0.000 0.856 393 R HN 0.158 nan 8.270 nan 0.000 0.437 394 L N -0.200 121.154 121.223 0.217 0.000 1.989 394 L HA -0.230 4.110 4.340 -0.000 0.000 0.211 394 L C 2.425 179.588 176.870 0.489 0.000 1.071 394 L CA 1.575 56.620 54.840 0.342 0.000 0.749 394 L CB -0.631 41.593 42.059 0.275 0.000 0.890 394 L HN 0.235 nan 8.230 nan 0.000 0.431 395 F N 0.537 120.648 119.950 0.270 0.000 2.126 395 F HA -0.236 4.291 4.527 -0.000 0.000 0.299 395 F C 2.617 178.549 175.800 0.220 0.000 1.096 395 F CA 1.793 59.946 58.000 0.256 0.000 1.255 395 F CB -0.337 38.748 39.000 0.142 0.000 0.997 395 F HN -0.063 nan 8.300 nan 0.000 0.479 396 S N 0.243 115.968 115.700 0.041 0.000 2.368 396 S HA -0.189 4.281 4.470 -0.000 0.000 0.225 396 S C 1.835 176.375 174.600 -0.099 0.000 1.030 396 S CA 1.299 59.438 58.200 -0.103 0.000 0.999 396 S CB -0.856 62.375 63.200 0.053 0.000 0.844 396 S HN 0.510 nan 8.310 nan 0.000 0.459 397 F N 1.402 121.275 119.950 -0.129 0.000 2.075 397 F HA -0.083 4.444 4.527 -0.000 0.000 0.297 397 F C 1.525 177.101 175.800 -0.373 0.000 1.113 397 F CA 1.476 59.317 58.000 -0.265 0.000 1.218 397 F CB -0.337 38.447 39.000 -0.359 0.000 0.984 397 F HN 0.165 nan 8.300 nan 0.000 0.472 398 F N 0.061 120.037 119.950 0.044 0.000 2.789 398 F HA 0.019 4.546 4.527 -0.000 0.000 0.300 398 F C 2.395 178.015 175.800 -0.299 0.000 1.132 398 F CA 0.643 58.590 58.000 -0.088 0.000 1.404 398 F CB -0.788 38.341 39.000 0.215 0.000 1.114 398 F HN 0.086 nan 8.300 nan 0.000 0.584 399 Q N 1.962 121.574 119.800 -0.314 0.000 2.077 399 Q HA -0.204 4.136 4.340 -0.000 0.000 0.206 399 Q C -0.664 175.186 176.000 -0.249 0.000 0.989 399 Q CA 2.225 57.743 55.803 -0.475 0.000 0.853 399 Q CB -1.204 27.036 28.738 -0.830 0.000 0.907 399 Q HN 0.177 nan 8.270 nan 0.000 0.418 400 P HA -0.147 nan 4.420 nan 0.000 0.216 400 P C 1.548 178.818 177.300 -0.051 0.000 1.150 400 P CA 2.037 65.106 63.100 -0.052 0.000 0.837 400 P CB -0.315 31.415 31.700 0.049 0.000 0.786 401 V N -3.308 116.404 119.914 -0.336 0.000 2.591 401 V HA -0.085 4.035 4.120 -0.000 0.000 0.249 401 V C 2.600 178.500 176.094 -0.323 0.000 1.053 401 V CA 1.006 63.020 62.300 -0.477 0.000 1.068 401 V CB -1.804 29.618 31.823 -0.670 0.000 0.689 401 V HN -0.069 nan 8.190 nan 0.000 0.462 402 L N 0.627 121.687 121.223 -0.272 0.000 2.141 402 L HA -0.067 4.272 4.340 -0.000 0.000 0.209 402 L C 2.596 179.362 176.870 -0.173 0.000 1.094 402 L CA 1.546 56.220 54.840 -0.278 0.000 0.763 402 L CB -0.666 41.261 42.059 -0.221 0.000 0.908 402 L HN 0.375 nan 8.230 nan 0.000 0.437 403 N N -0.028 118.614 118.700 -0.097 0.000 2.300 403 N HA -0.148 4.592 4.740 -0.000 0.000 0.179 403 N C 1.779 177.276 175.510 -0.021 0.000 1.016 403 N CA 0.847 53.875 53.050 -0.036 0.000 0.876 403 N CB 0.011 38.501 38.487 0.004 0.000 0.979 403 N HN 0.104 nan 8.380 nan 0.000 0.432 404 K N 1.234 121.643 120.400 0.015 0.000 2.097 404 K HA 0.139 4.459 4.320 -0.000 0.000 0.205 404 K C 1.849 178.433 176.600 -0.028 0.000 1.050 404 K CA 0.614 56.938 56.287 0.062 0.000 0.938 404 K CB -0.215 32.438 32.500 0.255 0.000 0.718 404 K HN 0.111 nan 8.250 nan 0.000 0.442 405 I N 0.138 120.626 120.570 -0.138 0.000 2.179 405 I HA -0.284 3.886 4.170 -0.000 0.000 0.242 405 I C 2.034 178.051 176.117 -0.167 0.000 1.088 405 I CA 0.996 62.160 61.300 -0.226 0.000 1.357 405 I CB -0.272 37.465 38.000 -0.440 0.000 1.051 405 I HN 0.186 nan 8.210 nan 0.000 0.409 406 M N 0.388 119.895 119.600 -0.154 0.000 2.149 406 M HA -0.228 4.252 4.480 -0.000 0.000 0.261 406 M C 2.271 178.553 176.300 -0.030 0.000 1.064 406 M CA 1.676 56.915 55.300 -0.102 0.000 1.102 406 M CB -1.167 31.373 32.600 -0.100 0.000 1.369 406 M HN 0.204 nan 8.290 nan 0.000 0.408 407 K N -0.250 120.135 120.400 -0.025 0.000 2.057 407 K HA -0.110 4.210 4.320 -0.000 0.000 0.206 407 K C 1.863 178.463 176.600 -0.001 0.000 1.050 407 K CA 1.379 57.665 56.287 -0.002 0.000 0.935 407 K CB 0.033 32.536 32.500 0.005 0.000 0.715 407 K HN 0.335 nan 8.250 nan 0.000 0.439 408 C N 0.874 120.165 119.300 -0.015 0.000 2.491 408 C HA 0.085 4.545 4.460 -0.000 0.000 0.277 408 C C 1.445 176.431 174.990 -0.007 0.000 1.455 408 C CA 0.188 59.200 59.018 -0.011 0.000 1.758 408 C CB -0.807 26.921 27.740 -0.020 0.000 1.745 408 C HN 0.419 nan 8.230 nan 0.000 0.558 409 L N 0.525 121.748 121.223 -0.000 0.000 3.110 409 L HA 0.206 4.546 4.340 -0.000 0.000 0.266 409 L C -0.300 176.618 176.870 0.079 0.000 1.257 409 L CA 0.052 54.917 54.840 0.041 0.000 1.038 409 L CB -0.310 41.780 42.059 0.052 0.000 1.395 409 L HN 0.206 nan 8.230 nan 0.000 0.566 410 D N -0.179 120.251 120.400 0.049 0.000 2.800 410 D HA -0.180 4.460 4.640 -0.000 0.000 0.232 410 D C 0.373 176.709 176.300 0.060 0.000 1.137 410 D CA 1.161 55.189 54.000 0.047 0.000 0.718 410 D CB -0.926 39.900 40.800 0.043 0.000 1.084 410 D HN 0.439 nan 8.370 nan 0.000 0.432 411 S N -0.885 114.853 115.700 0.063 0.000 3.081 411 S HA 0.677 5.147 4.470 -0.000 0.000 0.316 411 S C -0.663 173.962 174.600 0.043 0.000 1.089 411 S CA 0.082 58.325 58.200 0.071 0.000 0.897 411 S CB 2.078 65.353 63.200 0.125 0.000 1.358 411 S HN 0.330 nan 8.310 nan 0.000 0.678 412 E N -0.028 120.198 120.200 0.043 0.000 2.446 412 E HA 0.498 4.847 4.350 -0.000 0.000 0.269 412 E C -1.657 174.963 176.600 0.034 0.000 0.977 412 E CA -0.905 55.516 56.400 0.034 0.000 0.854 412 E CB 0.024 29.746 29.700 0.037 0.000 1.545 412 E HN 0.341 nan 8.360 nan 0.000 0.448 413 D N 0.493 120.918 120.400 0.042 0.000 2.506 413 D HA 0.078 4.717 4.640 -0.000 0.000 0.234 413 D C -0.148 176.206 176.300 0.090 0.000 1.143 413 D CA 0.090 54.125 54.000 0.059 0.000 0.871 413 D CB 0.694 41.534 40.800 0.067 0.000 1.190 413 D HN 0.258 nan 8.370 nan 0.000 0.459 414 V N 3.107 123.099 119.914 0.131 0.000 2.715 414 V HA 0.107 4.227 4.120 -0.000 0.000 0.299 414 V C 0.854 177.076 176.094 0.212 0.000 1.054 414 V CA -0.214 62.210 62.300 0.207 0.000 1.077 414 V CB 0.650 32.669 31.823 0.328 0.000 0.972 414 V HN 0.322 nan 8.190 nan 0.000 0.484 415 I N 3.254 123.910 120.570 0.144 0.000 2.377 415 I HA 0.275 4.445 4.170 -0.000 0.000 0.293 415 I C -0.048 176.019 176.117 -0.084 0.000 0.987 415 I CA -0.489 60.843 61.300 0.053 0.000 1.185 415 I CB 1.612 39.635 38.000 0.039 0.000 1.341 415 I HN 0.547 nan 8.210 nan 0.000 0.455 416 D N 5.580 125.831 120.400 -0.248 0.000 2.374 416 D HA 0.188 4.828 4.640 -0.000 0.000 0.240 416 D C 0.556 176.682 176.300 -0.289 0.000 1.229 416 D CA -0.018 53.669 54.000 -0.521 0.000 0.895 416 D CB 1.051 41.395 40.800 -0.759 0.000 1.046 416 D HN 0.729 nan 8.370 nan 0.000 0.498 417 G N 3.495 112.145 108.800 -0.251 0.000 4.144 417 G HA2 0.073 4.033 3.960 -0.000 0.000 0.297 417 G HA3 0.073 4.033 3.960 -0.000 0.000 0.297 417 G C 1.194 175.977 174.900 -0.195 0.000 1.090 417 G CA -0.271 44.724 45.100 -0.176 0.000 0.870 417 G HN 0.467 nan 8.290 nan 0.000 0.532 418 M N -0.218 119.250 119.600 -0.220 0.000 2.476 418 M HA 0.138 4.618 4.480 -0.000 0.000 0.262 418 M C 1.122 177.348 176.300 -0.124 0.000 1.079 418 M CA 0.938 56.127 55.300 -0.185 0.000 1.104 418 M CB 0.240 32.735 32.600 -0.174 0.000 1.409 418 M HN -0.001 nan 8.290 nan 0.000 0.467 419 R N 1.434 121.868 120.500 -0.109 0.000 2.651 419 R HA 0.297 4.637 4.340 -0.000 0.000 0.282 419 R C -2.487 173.775 176.300 -0.064 0.000 1.565 419 R CA -1.496 54.563 56.100 -0.069 0.000 1.661 419 R CB 0.213 30.480 30.300 -0.055 0.000 1.189 419 R HN 0.049 nan 8.270 nan 0.000 0.621 420 P HA -0.056 nan 4.420 nan 0.000 0.264 420 P C -0.140 177.144 177.300 -0.026 0.000 1.173 420 P CA 0.449 63.522 63.100 -0.046 0.000 0.761 420 P CB 0.877 32.559 31.700 -0.029 0.000 0.794 421 I N 0.527 121.085 120.570 -0.021 0.000 2.901 421 I HA 0.171 4.341 4.170 -0.000 0.000 0.289 421 I C 0.566 176.681 176.117 -0.004 0.000 1.553 421 I CA -0.779 60.514 61.300 -0.011 0.000 0.829 421 I CB -0.158 37.833 38.000 -0.014 0.000 1.840 421 I HN 0.461 nan 8.210 nan 0.000 0.606 422 E N 3.643 123.844 120.200 0.003 0.000 3.379 422 E HA -0.192 4.158 4.350 -0.000 0.000 0.257 422 E C -0.309 176.295 176.600 0.008 0.000 0.882 422 E CA 0.989 57.394 56.400 0.009 0.000 0.962 422 E CB 0.400 30.108 29.700 0.013 0.000 0.900 422 E HN 0.461 nan 8.360 nan 0.000 0.560 423 N N 3.199 121.905 118.700 0.009 0.000 2.397 423 N HA 0.172 4.912 4.740 -0.000 0.000 0.291 423 N C 0.464 175.981 175.510 0.012 0.000 1.065 423 N CA 0.196 53.252 53.050 0.009 0.000 0.884 423 N CB 1.473 39.965 38.487 0.008 0.000 1.551 423 N HN 0.312 nan 8.380 nan 0.000 0.487 424 I N 1.575 122.152 120.570 0.011 0.000 2.567 424 I HA 0.054 4.224 4.170 -0.000 0.000 0.257 424 I C 1.620 177.744 176.117 0.012 0.000 1.184 424 I CA 1.917 63.224 61.300 0.011 0.000 1.451 424 I CB -1.420 nan 38.000 nan 0.000 1.089 424 I HN 0.693 nan 8.210 nan 0.000 0.441 425 A N 0.587 123.415 122.820 0.013 0.000 2.604 425 A HA 0.259 4.579 4.320 -0.000 0.000 0.248 425 A C 1.073 178.669 177.584 0.019 0.000 1.466 425 A CA 0.439 52.484 52.037 0.015 0.000 1.222 425 A CB -0.950 18.059 19.000 0.014 0.000 0.945 425 A HN 0.744 nan 8.150 nan 0.000 0.600 426 N N -0.855 117.857 118.700 0.020 0.000 2.082 426 N HA 0.134 4.874 4.740 -0.000 0.000 0.228 426 N C 1.559 177.085 175.510 0.026 0.000 1.341 426 N CA 0.677 53.743 53.050 0.027 0.000 0.873 426 N CB 0.185 38.689 38.487 0.029 0.000 1.137 426 N HN 0.349 nan 8.380 nan 0.000 0.505 427 A N 1.808 124.639 122.820 0.018 0.000 1.893 427 A HA -0.321 3.999 4.320 -0.000 0.000 0.222 427 A C 1.765 179.354 177.584 0.009 0.000 1.309 427 A CA 2.790 54.834 52.037 0.011 0.000 0.681 427 A CB -1.408 nan 19.000 nan 0.000 0.842 427 A HN 0.510 nan 8.150 nan 0.000 0.468 428 N N -0.095 118.611 118.700 0.011 0.000 2.321 428 N HA 0.326 5.066 4.740 -0.000 0.000 0.242 428 N C 0.019 175.545 175.510 0.026 0.000 1.141 428 N CA 0.027 53.082 53.050 0.008 0.000 0.864 428 N CB 0.052 38.542 38.487 0.004 0.000 1.100 428 N HN 0.506 nan 8.380 nan 0.000 0.510 429 K N 1.417 121.841 120.400 0.040 0.000 2.221 429 K HA 0.466 4.786 4.320 -0.000 0.000 0.258 429 K C -2.993 173.661 176.600 0.090 0.000 0.944 429 K CA -2.034 54.289 56.287 0.060 0.000 0.823 429 K CB 2.386 34.921 32.500 0.057 0.000 1.113 429 K HN 0.127 nan 8.250 nan 0.000 0.431 430 P HA 0.111 nan 4.420 nan 0.000 0.276 430 P C -0.444 177.006 177.300 0.250 0.000 1.243 430 P CA -0.353 62.851 63.100 0.173 0.000 0.768 430 P CB 0.658 32.379 31.700 0.036 0.000 0.856 431 V N 5.606 125.707 119.914 0.310 0.000 2.334 431 V HA 0.148 4.268 4.120 -0.000 0.000 0.281 431 V C 0.492 176.703 176.094 0.195 0.000 1.016 431 V CA -0.882 61.542 62.300 0.207 0.000 0.832 431 V CB 1.292 33.170 31.823 0.091 0.000 0.999 431 V HN 0.437 nan 8.190 nan 0.000 0.439 432 L N 6.839 128.075 121.223 0.021 0.000 2.367 432 L HA 0.438 4.778 4.340 -0.000 0.000 0.275 432 L C 1.173 177.840 176.870 -0.339 0.000 1.129 432 L CA 0.766 55.392 54.840 -0.355 0.000 0.839 432 L CB 0.524 42.376 42.059 -0.345 0.000 1.133 432 L HN 0.507 nan 8.230 nan 0.000 0.453 433 R N 3.053 123.280 120.500 -0.454 0.000 2.287 433 R HA 0.307 4.647 4.340 -0.000 0.000 0.197 433 R C -0.007 176.037 176.300 -0.427 0.000 0.900 433 R CA 0.130 55.912 56.100 -0.529 0.000 1.052 433 R CB -0.132 29.520 30.300 -1.080 0.000 1.117 433 R HN 0.796 nan 8.270 nan 0.000 0.568 434 N N -0.046 118.434 118.700 -0.367 0.000 2.598 434 N HA 0.355 5.095 4.740 -0.000 0.000 0.263 434 N C -1.606 173.768 175.510 -0.225 0.000 1.254 434 N CA -0.433 52.478 53.050 -0.232 0.000 0.863 434 N CB 2.077 40.476 38.487 -0.147 0.000 1.586 434 N HN -0.172 nan 8.380 nan 0.000 0.491 435 I N 3.056 123.511 120.570 -0.191 0.000 2.499 435 I HA 0.457 4.627 4.170 -0.000 0.000 0.288 435 I C -0.676 175.292 176.117 -0.247 0.000 1.048 435 I CA -0.633 60.504 61.300 -0.271 0.000 1.062 435 I CB 1.984 39.868 38.000 -0.193 0.000 1.238 435 I HN 0.391 nan 8.210 nan 0.000 0.426 436 I N 6.338 126.713 120.570 -0.325 0.000 2.530 436 I HA 0.601 4.771 4.170 -0.000 0.000 0.297 436 I C -0.739 175.214 176.117 -0.273 0.000 1.011 436 I CA -0.988 60.166 61.300 -0.243 0.000 1.107 436 I CB 2.247 40.123 38.000 -0.207 0.000 1.285 436 I HN 0.137 nan 8.210 nan 0.000 0.436 437 V N 3.323 123.119 119.914 -0.198 0.000 2.789 437 V HA 0.360 4.480 4.120 -0.000 0.000 0.311 437 V C 0.187 176.180 176.094 -0.169 0.000 1.073 437 V CA -0.690 61.501 62.300 -0.181 0.000 0.921 437 V CB 2.149 33.889 31.823 -0.140 0.000 1.009 437 V HN 0.957 nan 8.190 nan 0.000 0.426 438 S N 2.146 117.756 115.700 -0.151 0.000 2.617 438 S HA 0.225 4.695 4.470 -0.000 0.000 0.255 438 S C 0.399 174.825 174.600 -0.290 0.000 1.318 438 S CA 0.171 58.231 58.200 -0.233 0.000 0.978 438 S CB 0.521 63.694 63.200 -0.045 0.000 0.961 438 S HN 0.919 nan 8.310 nan 0.000 0.582 439 N N -1.856 116.542 118.700 -0.503 0.000 2.127 439 N HA 0.101 4.841 4.740 -0.000 0.000 0.229 439 N C 0.075 175.421 175.510 -0.274 0.000 1.374 439 N CA -0.217 52.634 53.050 -0.331 0.000 0.763 439 N CB 0.132 38.431 38.487 -0.314 0.000 1.269 439 N HN 0.748 nan 8.380 nan 0.000 0.516 440 W N 1.127 122.427 121.300 -0.001 0.000 2.321 440 W HA -0.201 4.459 4.660 -0.000 0.000 0.306 440 W C 2.647 179.163 176.519 -0.005 0.000 1.217 440 W CA 1.824 59.172 57.345 0.005 0.000 1.257 440 W CB -0.502 28.966 29.460 0.014 0.000 1.145 440 W HN 0.187 nan 8.180 nan 0.000 0.509 441 T N -1.466 113.198 114.554 0.184 0.000 3.035 441 T HA -0.052 4.298 4.350 -0.000 0.000 0.268 441 T C 1.496 176.224 174.700 0.046 0.000 1.109 441 T CA 0.928 63.087 62.100 0.099 0.000 1.119 441 T CB -0.233 68.672 68.868 0.063 0.000 0.900 441 T HN 0.219 nan 8.240 nan 0.000 0.503 442 R N 0.732 121.240 120.500 0.014 0.000 2.334 442 R HA 0.235 4.575 4.340 -0.000 0.000 0.212 442 R C 0.210 176.485 176.300 -0.042 0.000 0.897 442 R CA -0.069 56.019 56.100 -0.020 0.000 1.056 442 R CB 0.208 30.485 30.300 -0.040 0.000 1.046 442 R HN 0.325 nan 8.270 nan 0.000 0.513 443 D N 2.474 122.862 120.400 -0.021 0.000 2.325 443 D HA 0.040 4.680 4.640 -0.000 0.000 0.251 443 D C -1.380 174.887 176.300 -0.055 0.000 1.196 443 D CA -2.264 51.715 54.000 -0.035 0.000 0.866 443 D CB 1.534 42.358 40.800 0.041 0.000 1.101 443 D HN -0.046 nan 8.370 nan 0.000 0.476 444 P HA -0.176 nan 4.420 nan 0.000 0.221 444 P C 0.793 177.950 177.300 -0.237 0.000 1.145 444 P CA 1.135 64.058 63.100 -0.294 0.000 0.795 444 P CB -0.048 31.352 31.700 -0.501 0.000 0.775 445 Y N -0.083 120.261 120.300 0.074 0.000 2.466 445 Y HA 0.045 4.595 4.550 -0.000 0.000 0.272 445 Y C 2.434 178.399 175.900 0.108 0.000 1.169 445 Y CA 0.457 58.608 58.100 0.084 0.000 1.285 445 Y CB 0.119 38.631 38.460 0.087 0.000 1.078 445 Y HN 0.165 nan 8.280 nan 0.000 0.523 446 S N -0.824 115.012 115.700 0.226 0.000 3.171 446 S HA 0.133 4.603 4.470 -0.000 0.000 0.258 446 S C 0.738 175.418 174.600 0.133 0.000 1.083 446 S CA -0.404 57.920 58.200 0.208 0.000 0.801 446 S CB 0.115 63.534 63.200 0.364 0.000 0.831 446 S HN 0.242 nan 8.310 nan 0.000 0.462 447 R N 2.158 122.731 120.500 0.121 0.000 3.322 447 R HA -0.022 4.318 4.340 -0.000 0.000 0.253 447 R C 0.594 176.938 176.300 0.073 0.000 0.987 447 R CA 0.487 56.632 56.100 0.075 0.000 0.666 447 R CB -2.227 28.096 30.300 0.040 0.000 1.072 447 R HN 1.137 nan 8.270 nan 0.000 0.447 448 G N -2.474 106.396 108.800 0.116 0.000 2.315 448 G HA2 0.272 4.232 3.960 -0.000 0.000 0.296 448 G HA3 0.272 4.232 3.960 -0.000 0.000 0.296 448 G C 0.020 174.939 174.900 0.031 0.000 1.289 448 G CA -0.219 44.922 45.100 0.069 0.000 0.996 448 G HN 0.340 nan 8.290 nan 0.000 0.487 449 A N -1.076 121.684 122.820 -0.101 0.000 1.982 449 A HA 0.798 5.118 4.320 -0.000 0.000 0.217 449 A C 0.554 178.093 177.584 -0.075 0.000 1.457 449 A CA 2.220 54.147 52.037 -0.184 0.000 0.654 449 A CB -0.234 nan 19.000 nan 0.000 1.150 449 A HN 2.184 nan 8.150 nan 0.000 0.509 450 Y N -3.272 116.986 120.300 -0.070 0.000 2.677 450 Y HA 0.641 5.190 4.550 -0.000 0.000 0.334 450 Y C -0.196 175.688 175.900 -0.027 0.000 1.196 450 Y CA -1.254 56.808 58.100 -0.064 0.000 1.059 450 Y CB 0.228 38.642 38.460 -0.077 0.000 1.315 450 Y HN -0.022 nan 8.280 nan 0.000 0.455 451 S N 1.032 116.806 115.700 0.123 0.000 2.593 451 S HA 0.475 4.945 4.470 -0.000 0.000 0.300 451 S C -0.024 174.630 174.600 0.090 0.000 1.267 451 S CA 0.678 58.911 58.200 0.055 0.000 1.065 451 S CB -0.173 63.066 63.200 0.065 0.000 0.807 451 S HN 0.990 nan 8.310 nan 0.000 0.499 452 A N 2.463 125.291 122.820 0.014 0.000 2.566 452 A HA 0.680 5.000 4.320 -0.000 0.000 0.292 452 A C -0.867 176.735 177.584 0.030 0.000 1.112 452 A CA -0.672 51.417 52.037 0.087 0.000 0.707 452 A CB 1.143 20.206 19.000 0.105 0.000 1.302 452 A HN 0.777 nan 8.150 nan 0.000 0.409 453 C N 0.780 120.141 119.300 0.102 0.000 2.329 453 C HA 0.658 5.117 4.460 -0.000 0.000 0.329 453 C C -0.085 175.082 174.990 0.295 0.000 1.275 453 C CA -0.365 58.703 59.018 0.084 0.000 1.726 453 C CB -0.912 26.848 27.740 0.035 0.000 2.291 453 C HN 0.617 nan 8.230 nan 0.000 0.514 454 F N 3.717 123.660 119.950 -0.011 0.000 2.403 454 F HA 0.379 4.906 4.527 -0.000 0.000 0.326 454 F C -1.581 174.215 175.800 -0.007 0.000 1.081 454 F CA -2.567 55.432 58.000 -0.002 0.000 1.041 454 F CB 1.286 40.292 39.000 0.009 0.000 1.234 454 F HN 0.318 nan 8.300 nan 0.000 0.503 455 P HA 0.025 nan 4.420 nan 0.000 0.263 455 P C 0.394 177.754 177.300 0.099 0.000 1.195 455 P CA 0.894 64.056 63.100 0.104 0.000 0.762 455 P CB 0.611 32.363 31.700 0.086 0.000 0.799 456 G N 2.159 110.994 108.800 0.057 0.000 2.179 456 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.220 456 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.220 456 G C -0.221 174.694 174.900 0.027 0.000 0.990 456 G CA -0.371 44.755 45.100 0.044 0.000 0.646 456 G HN 0.509 nan 8.290 nan 0.000 0.517 457 D N 0.592 121.004 120.400 0.020 0.000 2.253 457 D HA 0.539 5.179 4.640 -0.000 0.000 0.249 457 D C -0.716 175.568 176.300 -0.028 0.000 1.049 457 D CA -0.015 53.977 54.000 -0.013 0.000 0.929 457 D CB 1.485 42.265 40.800 -0.034 0.000 1.176 457 D HN 0.089 nan 8.370 nan 0.000 0.437 458 D N 0.972 121.348 120.400 -0.040 0.000 2.389 458 D HA 0.156 4.796 4.640 -0.000 0.000 0.256 458 D C -1.759 174.508 176.300 -0.054 0.000 1.239 458 D CA -1.807 52.168 54.000 -0.041 0.000 0.925 458 D CB 1.880 42.659 40.800 -0.035 0.000 1.145 458 D HN -0.026 nan 8.370 nan 0.000 0.542 459 P HA -0.160 nan 4.420 nan 0.000 0.217 459 P C 1.718 178.981 177.300 -0.062 0.000 1.148 459 P CA 0.776 63.845 63.100 -0.052 0.000 0.828 459 P CB 0.339 32.023 31.700 -0.026 0.000 0.783 460 V N 1.514 121.398 119.914 -0.050 0.000 2.332 460 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 460 V C 2.280 178.330 176.094 -0.073 0.000 1.055 460 V CA 2.847 65.116 62.300 -0.052 0.000 1.038 460 V CB -1.303 30.499 31.823 -0.035 0.000 0.651 460 V HN -0.007 nan 8.190 nan 0.000 0.450 461 D N -0.406 119.945 120.400 -0.081 0.000 2.160 461 D HA -0.293 4.347 4.640 -0.000 0.000 0.189 461 D C 2.060 178.274 176.300 -0.143 0.000 1.003 461 D CA 2.409 56.349 54.000 -0.101 0.000 0.846 461 D CB -0.134 40.603 40.800 -0.104 0.000 0.949 461 D HN 0.606 nan 8.370 nan 0.000 0.446 462 M N 0.840 120.332 119.600 -0.180 0.000 2.117 462 M HA -0.135 4.345 4.480 -0.000 0.000 0.262 462 M C 2.121 178.298 176.300 -0.205 0.000 1.065 462 M CA 1.101 56.254 55.300 -0.245 0.000 1.114 462 M CB -0.382 32.061 32.600 -0.260 0.000 1.361 462 M HN -0.129 nan 8.290 nan 0.000 0.408 463 V N -0.913 118.912 119.914 -0.147 0.000 2.282 463 V HA -0.297 3.823 4.120 -0.000 0.000 0.249 463 V C 2.363 178.389 176.094 -0.112 0.000 1.057 463 V CA 1.956 64.181 62.300 -0.125 0.000 1.032 463 V CB -1.248 30.525 31.823 -0.083 0.000 0.645 463 V HN 0.408 nan 8.190 nan 0.000 0.447 464 V N 0.228 120.084 119.914 -0.097 0.000 2.261 464 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 464 V C 2.746 178.784 176.094 -0.093 0.000 1.047 464 V CA 2.155 64.409 62.300 -0.078 0.000 1.015 464 V CB -1.283 30.502 31.823 -0.065 0.000 0.642 464 V HN 0.561 nan 8.190 nan 0.000 0.446 465 A N -0.249 122.492 122.820 -0.132 0.000 1.851 465 A HA -0.263 4.057 4.320 -0.000 0.000 0.216 465 A C 2.259 179.730 177.584 -0.187 0.000 1.195 465 A CA 2.405 54.347 52.037 -0.159 0.000 0.622 465 A CB -0.588 18.281 19.000 -0.217 0.000 0.831 465 A HN 0.408 nan 8.150 nan 0.000 0.444 466 M N 0.811 120.256 119.600 -0.259 0.000 2.073 466 M HA -0.169 4.311 4.480 -0.000 0.000 0.258 466 M C 2.524 178.802 176.300 -0.038 0.000 1.070 466 M CA 2.265 57.403 55.300 -0.271 0.000 1.103 466 M CB -1.730 30.681 32.600 -0.314 0.000 1.321 466 M HN 0.694 nan 8.290 nan 0.000 0.405 467 S N 0.317 115.985 115.700 -0.053 0.000 2.399 467 S HA -0.147 4.323 4.470 -0.000 0.000 0.231 467 S C 1.860 176.473 174.600 0.022 0.000 1.022 467 S CA 1.656 59.852 58.200 -0.007 0.000 0.983 467 S CB -1.779 61.404 63.200 -0.028 0.000 0.803 467 S HN 0.638 nan 8.310 nan 0.000 0.480 468 N N 1.491 120.195 118.700 0.007 0.000 2.270 468 N HA 0.382 5.122 4.740 -0.000 0.000 0.181 468 N C 1.220 176.770 175.510 0.067 0.000 1.016 468 N CA 1.086 54.149 53.050 0.021 0.000 0.870 468 N CB -1.138 37.348 38.487 -0.003 0.000 0.979 468 N HN 1.422 nan 8.380 nan 0.000 0.431 469 G N -1.252 107.624 108.800 0.127 0.000 2.731 469 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.686 469 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.686 469 G C 0.277 175.303 174.900 0.211 0.000 1.395 469 G CA 0.526 45.786 45.100 0.267 0.000 0.870 469 G HN 0.699 nan 8.290 nan 0.000 0.591 470 Q N 0.400 120.399 119.800 0.331 0.000 2.096 470 Q HA 0.106 4.446 4.340 -0.000 0.000 0.204 470 Q C 1.162 177.211 176.000 0.082 0.000 0.982 470 Q CA 3.392 59.302 55.803 0.179 0.000 0.850 470 Q CB -0.012 28.824 28.738 0.164 0.000 0.901 470 Q HN 1.206 nan 8.270 nan 0.000 0.422 471 D N -5.516 114.923 120.400 0.065 0.000 2.879 471 D HA 0.299 4.939 4.640 -0.000 0.000 0.346 471 D C 0.306 176.620 176.300 0.024 0.000 1.390 471 D CA 0.088 54.107 54.000 0.032 0.000 0.838 471 D CB -0.411 40.397 40.800 0.013 0.000 1.416 471 D HN -0.083 nan 8.370 nan 0.000 0.493 472 S N -1.186 114.517 115.700 0.006 0.000 2.440 472 S HA -0.134 4.336 4.470 -0.000 0.000 0.238 472 S C 1.614 176.210 174.600 -0.008 0.000 1.010 472 S CA 1.189 59.396 58.200 0.011 0.000 0.972 472 S CB -0.551 nan 63.200 nan 0.000 0.774 472 S HN 0.383 nan 8.310 nan 0.000 0.501 473 R N -0.252 120.202 120.500 -0.076 0.000 2.307 473 R HA 0.290 4.630 4.340 -0.000 0.000 0.200 473 R C -0.353 175.920 176.300 -0.046 0.000 0.893 473 R CA 0.126 56.138 56.100 -0.146 0.000 1.042 473 R CB 0.343 30.492 30.300 -0.251 0.000 1.059 473 R HN 0.381 nan 8.270 nan 0.000 0.530 474 I N 3.532 124.077 120.570 -0.043 0.000 2.347 474 I HA 0.301 4.471 4.170 -0.000 0.000 0.283 474 I C -0.029 175.979 176.117 -0.181 0.000 1.058 474 I CA -0.657 60.577 61.300 -0.109 0.000 1.202 474 I CB 0.508 38.463 38.000 -0.074 0.000 1.386 474 I HN -0.270 nan 8.210 nan 0.000 0.475 475 R N 4.874 125.247 120.500 -0.212 0.000 2.674 475 R HA 0.699 5.039 4.340 -0.000 0.000 0.266 475 R C -0.877 175.181 176.300 -0.405 0.000 1.016 475 R CA -0.751 55.251 56.100 -0.165 0.000 1.062 475 R CB 1.290 31.567 30.300 -0.039 0.000 1.142 475 R HN 0.176 nan 8.270 nan 0.000 0.517 476 F N -0.630 119.317 119.950 -0.004 0.000 2.561 476 F HA 0.747 5.274 4.527 -0.000 0.000 0.321 476 F C 0.259 176.028 175.800 -0.052 0.000 1.065 476 F CA -0.690 57.303 58.000 -0.011 0.000 0.934 476 F CB 2.168 41.146 39.000 -0.037 0.000 1.215 476 F HN 0.616 nan 8.300 nan 0.000 0.471 477 A N 0.806 123.709 122.820 0.139 0.000 2.583 477 A HA 0.976 5.296 4.320 -0.000 0.000 0.289 477 A C -0.385 177.234 177.584 0.058 0.000 1.151 477 A CA -0.337 51.727 52.037 0.045 0.000 0.695 477 A CB 1.479 20.497 19.000 0.030 0.000 1.290 477 A HN 1.748 nan 8.150 nan 0.000 0.419 478 G N -0.652 108.176 108.800 0.048 0.000 2.381 478 G HA2 0.389 4.349 3.960 -0.000 0.000 0.672 478 G HA3 0.389 4.349 3.960 -0.000 0.000 0.672 478 G C -0.041 174.916 174.900 0.095 0.000 1.324 478 G CA 0.649 45.836 45.100 0.144 0.000 0.975 478 G HN 1.883 nan 8.290 nan 0.000 0.593 479 E N -0.531 119.772 120.200 0.171 0.000 2.401 479 E HA -0.124 4.225 4.350 -0.000 0.000 0.199 479 E C 1.455 178.114 176.600 0.098 0.000 1.023 479 E CA 2.177 58.626 56.400 0.082 0.000 0.859 479 E CB -0.251 29.472 29.700 0.038 0.000 0.780 479 E HN 0.894 nan 8.360 nan 0.000 0.523 480 H N -0.486 118.577 119.070 -0.011 0.000 2.520 480 H HA 0.271 4.827 4.556 -0.000 0.000 0.284 480 H C 0.410 175.706 175.328 -0.053 0.000 1.037 480 H CA 0.682 56.709 56.048 -0.035 0.000 1.168 480 H CB -0.283 29.461 29.762 -0.031 0.000 1.497 480 H HN 0.250 nan 8.280 nan 0.000 0.547 481 T N -1.930 112.393 114.554 -0.385 0.000 3.132 481 T HA 0.385 4.734 4.350 -0.000 0.000 0.274 481 T C 0.310 174.921 174.700 -0.148 0.000 1.011 481 T CA -0.350 61.558 62.100 -0.320 0.000 0.899 481 T CB 0.004 68.680 68.868 -0.319 0.000 1.089 481 T HN 0.279 nan 8.240 nan 0.000 0.543 482 I N -0.192 120.315 120.570 -0.106 0.000 2.994 482 I HA 0.548 4.718 4.170 -0.000 0.000 0.306 482 I C 0.299 176.383 176.117 -0.054 0.000 1.195 482 I CA -1.268 59.995 61.300 -0.062 0.000 1.001 482 I CB 2.350 40.327 38.000 -0.039 0.000 1.244 482 I HN -0.043 nan 8.210 nan 0.000 0.437 483 M N 1.845 121.427 119.600 -0.030 0.000 2.412 483 M HA 0.213 4.693 4.480 -0.000 0.000 0.263 483 M C -0.200 176.091 176.300 -0.014 0.000 1.122 483 M CA 1.130 56.418 55.300 -0.021 0.000 1.179 483 M CB -0.004 32.592 32.600 -0.005 0.000 1.335 483 M HN 0.365 nan 8.290 nan 0.000 0.465 484 D N 0.425 120.833 120.400 0.013 0.000 2.317 484 D HA 0.462 5.102 4.640 -0.000 0.000 0.252 484 D C 0.925 177.197 176.300 -0.048 0.000 1.174 484 D CA 1.023 55.054 54.000 0.051 0.000 0.866 484 D CB 0.403 41.283 40.800 0.132 0.000 1.127 484 D HN 0.575 nan 8.370 nan 0.000 0.467 485 G N 1.807 110.508 108.800 -0.165 0.000 2.136 485 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.242 485 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.242 485 G C 0.558 175.201 174.900 -0.429 0.000 0.989 485 G CA 0.005 44.682 45.100 -0.704 0.000 0.682 485 G HN 0.839 nan 8.290 nan 0.000 0.522 486 A N -0.184 122.509 122.820 -0.213 0.000 2.587 486 A HA 0.574 4.894 4.320 -0.000 0.000 0.235 486 A C 2.176 179.669 177.584 -0.152 0.000 1.044 486 A CA 1.952 53.908 52.037 -0.135 0.000 0.754 486 A CB -0.220 18.736 19.000 -0.073 0.000 0.968 486 A HN 2.410 nan 8.150 nan 0.000 0.509 487 G N 0.617 109.360 108.800 -0.095 0.000 2.180 487 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.263 487 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.263 487 G C 0.323 175.055 174.900 -0.279 0.000 0.989 487 G CA 0.549 45.585 45.100 -0.107 0.000 0.692 487 G HN 1.175 nan 8.290 nan 0.000 0.526 488 C N -0.897 118.244 119.300 -0.266 0.000 2.529 488 C HA 0.802 5.262 4.460 -0.000 0.000 0.329 488 C C 2.161 177.045 174.990 -0.177 0.000 1.194 488 C CA 0.104 58.969 59.018 -0.254 0.000 1.779 488 C CB 1.346 28.898 27.740 -0.313 0.000 2.322 488 C HN 0.838 nan 8.230 nan 0.000 0.500 489 A N 1.261 124.037 122.820 -0.073 0.000 1.873 489 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 489 A C 1.795 179.469 177.584 0.150 0.000 1.193 489 A CA 2.423 54.467 52.037 0.011 0.000 0.629 489 A CB -1.012 17.985 19.000 -0.005 0.000 0.826 489 A HN 1.123 nan 8.150 nan 0.000 0.447 490 Y N -0.498 119.877 120.300 0.126 0.000 2.352 490 Y HA 0.144 4.694 4.550 -0.000 0.000 0.292 490 Y C 2.103 178.141 175.900 0.230 0.000 1.136 490 Y CA 0.614 58.803 58.100 0.147 0.000 1.227 490 Y CB -1.141 37.359 38.460 0.066 0.000 0.991 490 Y HN 0.096 nan 8.280 nan 0.000 0.545 491 G N 0.795 109.381 108.800 -0.356 0.000 2.404 491 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.215 491 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.215 491 G C 1.848 176.758 174.900 0.017 0.000 1.174 491 G CA 1.170 46.119 45.100 -0.251 0.000 0.780 491 G HN 0.635 nan 8.290 nan 0.000 0.537 492 A N -0.041 122.809 122.820 0.051 0.000 1.902 492 A HA -0.050 4.270 4.320 -0.000 0.000 0.217 492 A C 2.145 179.850 177.584 0.200 0.000 1.181 492 A CA 1.602 53.704 52.037 0.108 0.000 0.623 492 A CB -0.792 18.268 19.000 0.100 0.000 0.818 492 A HN 0.587 nan 8.150 nan 0.000 0.443 493 W N 0.987 122.329 121.300 0.071 0.000 2.335 493 W HA -0.247 4.413 4.660 -0.000 0.000 0.311 493 W C 2.043 178.619 176.519 0.095 0.000 1.213 493 W CA 2.302 59.711 57.345 0.106 0.000 1.274 493 W CB -0.094 29.462 29.460 0.160 0.000 1.148 493 W HN 0.403 nan 8.180 nan 0.000 0.498 494 E N 0.497 120.966 120.200 0.448 0.000 2.106 494 E HA -0.211 4.139 4.350 -0.000 0.000 0.192 494 E C 2.297 178.911 176.600 0.023 0.000 0.984 494 E CA 2.337 58.857 56.400 0.200 0.000 0.806 494 E CB -0.663 29.257 29.700 0.366 0.000 0.750 494 E HN 0.282 nan 8.360 nan 0.000 0.458 495 S N -0.918 114.811 115.700 0.049 0.000 2.399 495 S HA -0.057 4.413 4.470 -0.000 0.000 0.231 495 S C 2.224 176.804 174.600 -0.033 0.000 1.022 495 S CA 0.998 59.199 58.200 0.002 0.000 0.983 495 S CB -0.865 62.334 63.200 -0.001 0.000 0.803 495 S HN 0.349 nan 8.310 nan 0.000 0.480 496 G N 1.557 110.328 108.800 -0.049 0.000 2.422 496 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.218 496 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.218 496 G C 1.572 176.384 174.900 -0.148 0.000 1.140 496 G CA 0.532 45.582 45.100 -0.082 0.000 0.775 496 G HN 0.572 nan 8.290 nan 0.000 0.545 497 R N 0.263 120.622 120.500 -0.235 0.000 2.090 497 R HA 0.081 4.421 4.340 -0.000 0.000 0.228 497 R C 2.503 178.715 176.300 -0.146 0.000 1.110 497 R CA 0.972 56.919 56.100 -0.255 0.000 0.973 497 R CB -0.288 29.771 30.300 -0.401 0.000 0.869 497 R HN 0.318 nan 8.270 nan 0.000 0.440 498 R N 0.567 121.005 120.500 -0.103 0.000 2.097 498 R HA -0.171 4.169 4.340 -0.000 0.000 0.236 498 R C 1.679 177.941 176.300 -0.063 0.000 1.135 498 R CA 2.052 58.115 56.100 -0.061 0.000 0.934 498 R CB -0.147 30.133 30.300 -0.033 0.000 0.846 498 R HN 0.219 nan 8.270 nan 0.000 0.431 499 E N 0.315 120.478 120.200 -0.063 0.000 2.110 499 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 499 E C 1.916 178.456 176.600 -0.100 0.000 0.988 499 E CA 1.280 57.641 56.400 -0.066 0.000 0.804 499 E CB -0.392 29.275 29.700 -0.054 0.000 0.745 499 E HN 0.508 nan 8.360 nan 0.000 0.458 500 A N 1.027 123.783 122.820 -0.107 0.000 1.877 500 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 500 A C 2.480 179.992 177.584 -0.120 0.000 1.186 500 A CA 2.231 54.197 52.037 -0.118 0.000 0.620 500 A CB -0.991 17.948 19.000 -0.102 0.000 0.822 500 A HN 0.270 nan 8.150 nan 0.000 0.443 501 T N -0.665 113.828 114.554 -0.102 0.000 2.746 501 T HA -0.148 4.202 4.350 -0.000 0.000 0.267 501 T C 2.040 176.685 174.700 -0.091 0.000 1.039 501 T CA 1.482 63.530 62.100 -0.087 0.000 1.142 501 T CB -0.263 68.563 68.868 -0.070 0.000 0.866 501 T HN 0.619 nan 8.240 nan 0.000 0.444 502 R N 0.830 121.276 120.500 -0.090 0.000 2.083 502 R HA -0.028 4.312 4.340 -0.000 0.000 0.237 502 R C 2.312 178.528 176.300 -0.140 0.000 1.137 502 R CA 1.491 57.541 56.100 -0.083 0.000 0.951 502 R CB -0.435 29.831 30.300 -0.057 0.000 0.851 502 R HN 0.376 nan 8.270 nan 0.000 0.434 503 I N 0.274 120.705 120.570 -0.231 0.000 2.439 503 I HA -0.182 3.988 4.170 -0.000 0.000 0.251 503 I C 2.476 178.383 176.117 -0.350 0.000 1.139 503 I CA 0.899 61.919 61.300 -0.467 0.000 1.438 503 I CB -0.203 37.421 38.000 -0.627 0.000 1.085 503 I HN 0.257 nan 8.210 nan 0.000 0.427 504 S N 0.491 116.063 115.700 -0.213 0.000 2.382 504 S HA -0.199 4.271 4.470 -0.000 0.000 0.228 504 S C 1.669 176.207 174.600 -0.103 0.000 1.027 504 S CA 1.594 59.711 58.200 -0.139 0.000 0.991 504 S CB -0.201 62.942 63.200 -0.096 0.000 0.823 504 S HN 0.378 nan 8.310 nan 0.000 0.469 505 D N 1.158 121.504 120.400 -0.091 0.000 2.117 505 D HA -0.015 4.625 4.640 -0.000 0.000 0.198 505 D C 1.995 178.266 176.300 -0.049 0.000 0.982 505 D CA 0.797 54.763 54.000 -0.056 0.000 0.828 505 D CB -0.425 40.350 40.800 -0.042 0.000 0.967 505 D HN 0.361 nan 8.370 nan 0.000 0.464 506 L N 0.402 121.586 121.223 -0.065 0.000 2.042 506 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 506 L C 2.593 179.457 176.870 -0.009 0.000 1.076 506 L CA 0.743 55.569 54.840 -0.023 0.000 0.749 506 L CB -0.344 41.714 42.059 -0.001 0.000 0.893 506 L HN 0.044 nan 8.230 nan 0.000 0.432 507 L N -0.524 120.665 121.223 -0.057 0.000 2.027 507 L HA -0.218 4.122 4.340 -0.000 0.000 0.206 507 L C 2.644 179.509 176.870 -0.008 0.000 1.074 507 L CA 1.404 56.231 54.840 -0.021 0.000 0.745 507 L CB -0.417 41.607 42.059 -0.057 0.000 0.898 507 L HN 0.194 nan 8.230 nan 0.000 0.433 508 K N 0.079 120.466 120.400 -0.022 0.000 2.103 508 K HA -0.153 4.167 4.320 -0.000 0.000 0.207 508 K C 2.037 178.635 176.600 -0.003 0.000 1.048 508 K CA 1.154 57.434 56.287 -0.012 0.000 0.930 508 K CB -0.177 32.312 32.500 -0.018 0.000 0.716 508 K HN 0.258 nan 8.250 nan 0.000 0.444 509 L N 0.886 122.108 121.223 -0.002 0.000 2.201 509 L HA -0.169 4.171 4.340 -0.000 0.000 0.212 509 L C 2.042 178.919 176.870 0.011 0.000 1.105 509 L CA 1.177 56.020 54.840 0.005 0.000 0.775 509 L CB -0.396 41.667 42.059 0.006 0.000 0.913 509 L HN 0.272 nan 8.230 nan 0.000 0.440 510 E N -0.889 119.321 120.200 0.017 0.000 2.028 510 E HA -0.118 4.232 4.350 -0.000 0.000 0.190 510 E C 1.155 177.765 176.600 0.016 0.000 0.984 510 E CA 0.995 57.409 56.400 0.022 0.000 0.800 510 E CB -0.251 29.470 29.700 0.035 0.000 0.758 510 E HN 0.695 nan 8.360 nan 0.000 0.448 511 H N 0.000 119.079 119.070 0.014 0.000 2.539 511 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 511 H CA 0.000 56.055 56.048 0.012 0.000 1.023 511 H CB 0.000 nan 29.762 nan 0.000 1.292 511 H HN 0.000 nan 8.280 nan 0.000 0.496