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 3cnt_1_B DATA FIRST_RESID 8 DATA SEQUENCE KKKVIIIGAG IAGLKAASTL HQNGIQDCLV LEARDRVGGR LQTVTGYQGR DATA SEQUENCE KYDIGASWHH DTLTNPLFLE EAQLSLNDGR TRFVFDDDNF IYIDEERGRV DATA SEQUENCE DHDKELLLEI VDNEMSKFAE LEFHQHLXXX XCSFFQLVMK 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 0.000 176.609 176.600 0.015 0.000 0.988 8 K CA 0.000 56.295 56.287 0.014 0.000 0.838 8 K CB 0.000 32.511 32.500 0.019 0.000 1.064 9 K N 1.795 122.197 120.400 0.003 0.000 2.206 9 K HA 0.451 4.772 4.320 0.001 0.000 0.264 9 K C 0.146 176.719 176.600 -0.045 0.000 0.967 9 K CA -0.791 55.477 56.287 -0.032 0.000 0.844 9 K CB 1.894 34.364 32.500 -0.051 0.000 1.099 9 K HN 0.053 nan 8.250 nan 0.000 0.441 10 K N 0.715 121.081 120.400 -0.057 0.000 1.969 10 K HA -0.022 4.298 4.320 0.001 0.000 0.216 10 K C 0.785 177.372 176.600 -0.022 0.000 1.048 10 K CA 1.211 57.485 56.287 -0.022 0.000 0.948 10 K CB -0.077 32.407 32.500 -0.027 0.000 0.726 10 K HN 0.329 nan 8.250 nan 0.000 0.442 11 V N 1.597 121.433 119.914 -0.130 0.000 2.604 11 V HA 0.377 4.497 4.120 0.001 0.000 0.305 11 V C -0.090 175.865 176.094 -0.232 0.000 1.043 11 V CA -0.678 61.541 62.300 -0.136 0.000 0.888 11 V CB 2.172 33.886 31.823 -0.183 0.000 0.995 11 V HN 0.104 nan 8.190 nan 0.000 0.429 12 I N 5.186 125.652 120.570 -0.173 0.000 2.359 12 I HA 0.431 4.602 4.170 0.001 0.000 0.284 12 I C -0.537 175.461 176.117 -0.197 0.000 1.018 12 I CA -0.282 60.892 61.300 -0.209 0.000 1.173 12 I CB 1.313 39.215 38.000 -0.162 0.000 1.326 12 I HN 0.475 nan 8.210 nan 0.000 0.462 13 I N 7.376 127.805 120.570 -0.235 0.000 2.325 13 I HA 0.289 4.459 4.170 0.001 0.000 0.291 13 I C 0.040 176.061 176.117 -0.160 0.000 1.019 13 I CA -0.352 60.833 61.300 -0.191 0.000 1.302 13 I CB 1.009 38.879 38.000 -0.216 0.000 1.401 13 I HN 0.373 nan 8.210 nan 0.000 0.485 14 I N 6.432 126.929 120.570 -0.121 0.000 2.291 14 I HA 0.509 4.680 4.170 0.001 0.000 0.290 14 I C 0.512 176.596 176.117 -0.056 0.000 1.050 14 I CA -0.111 61.130 61.300 -0.098 0.000 1.245 14 I CB 0.821 38.771 38.000 -0.083 0.000 1.405 14 I HN 0.821 nan 8.210 nan 0.000 0.478 15 G N 4.258 113.024 108.800 -0.058 0.000 3.014 15 G HA2 0.148 4.108 3.960 0.001 0.000 0.683 15 G HA3 0.148 4.108 3.960 0.001 0.000 0.683 15 G C -0.347 174.554 174.900 0.001 0.000 1.271 15 G CA -0.316 44.772 45.100 -0.021 0.000 0.843 15 G HN 0.781 nan 8.290 nan 0.000 0.612 16 A N 1.217 124.055 122.820 0.029 0.000 2.545 16 A HA 0.747 5.068 4.320 0.001 0.000 0.277 16 A C 1.574 179.219 177.584 0.101 0.000 1.301 16 A CA 1.276 53.358 52.037 0.074 0.000 0.935 16 A CB -0.229 18.823 19.000 0.088 0.000 1.093 16 A HN 2.143 nan 8.150 nan 0.000 0.519 17 G N -0.354 108.497 108.800 0.085 0.000 2.479 17 G HA2 0.265 4.225 3.960 0.001 0.000 0.275 17 G HA3 0.265 4.225 3.960 0.001 0.000 0.275 17 G C 0.997 175.971 174.900 0.123 0.000 1.421 17 G CA 0.181 45.339 45.100 0.097 0.000 1.059 17 G HN 0.297 nan 8.290 nan 0.000 0.535 18 I N 0.267 120.917 120.570 0.133 0.000 2.361 18 I HA -0.053 4.117 4.170 0.001 0.000 0.251 18 I C 2.792 179.013 176.117 0.174 0.000 1.133 18 I CA 1.935 63.353 61.300 0.196 0.000 1.413 18 I CB -0.325 37.809 38.000 0.225 0.000 1.073 18 I HN 0.427 nan 8.210 nan 0.000 0.424 19 A N 0.253 123.146 122.820 0.122 0.000 1.832 19 A HA -0.043 4.277 4.320 0.001 0.000 0.214 19 A C 2.464 180.062 177.584 0.025 0.000 1.200 19 A CA 1.610 53.690 52.037 0.072 0.000 0.610 19 A CB -1.797 17.252 19.000 0.081 0.000 0.842 19 A HN 0.453 nan 8.150 nan 0.000 0.444 20 G N -0.292 108.525 108.800 0.028 0.000 2.442 20 G HA2 -0.195 3.766 3.960 0.001 0.000 0.219 20 G HA3 -0.195 3.766 3.960 0.001 0.000 0.219 20 G C 1.542 176.430 174.900 -0.019 0.000 1.141 20 G CA 1.126 46.215 45.100 -0.019 0.000 0.763 20 G HN 0.418 nan 8.290 nan 0.000 0.554 21 L N -0.452 120.823 121.223 0.088 0.000 2.141 21 L HA 0.005 4.345 4.340 0.001 0.000 0.209 21 L C 2.883 179.855 176.870 0.171 0.000 1.094 21 L CA 0.934 55.900 54.840 0.211 0.000 0.763 21 L CB -0.281 41.951 42.059 0.288 0.000 0.908 21 L HN 0.093 nan 8.230 nan 0.000 0.437 22 K N 0.333 120.768 120.400 0.059 0.000 2.137 22 K HA 0.048 4.369 4.320 0.001 0.000 0.202 22 K C 2.100 178.629 176.600 -0.119 0.000 1.052 22 K CA 1.102 57.350 56.287 -0.065 0.000 0.961 22 K CB -0.003 32.288 32.500 -0.348 0.000 0.741 22 K HN 0.179 nan 8.250 nan 0.000 0.452 23 A N 1.040 123.786 122.820 -0.124 0.000 1.940 23 A HA -0.126 4.194 4.320 0.001 0.000 0.219 23 A C 2.292 179.785 177.584 -0.151 0.000 1.176 23 A CA 2.169 54.121 52.037 -0.142 0.000 0.631 23 A CB -0.475 18.446 19.000 -0.130 0.000 0.814 23 A HN 0.332 nan 8.150 nan 0.000 0.446 24 A N -1.123 121.575 122.820 -0.204 0.000 1.874 24 A HA 0.019 4.339 4.320 0.001 0.000 0.214 24 A C 2.439 180.006 177.584 -0.028 0.000 1.189 24 A CA 1.811 53.658 52.037 -0.317 0.000 0.615 24 A CB -1.085 17.355 19.000 -0.934 0.000 0.830 24 A HN 0.593 nan 8.150 nan 0.000 0.443 25 S N -0.595 115.163 115.700 0.098 0.000 2.368 25 S HA -0.223 4.247 4.470 0.001 0.000 0.226 25 S C 2.097 176.815 174.600 0.196 0.000 1.044 25 S CA 2.643 61.033 58.200 0.317 0.000 1.062 25 S CB -0.775 62.591 63.200 0.277 0.000 0.931 25 S HN 0.592 nan 8.310 nan 0.000 0.440 26 T N 2.667 117.253 114.554 0.053 0.000 2.684 26 T HA -0.038 4.312 4.350 0.001 0.000 0.267 26 T C 1.765 176.485 174.700 0.034 0.000 1.036 26 T CA 1.624 63.724 62.100 -0.001 0.000 1.148 26 T CB -0.531 68.278 68.868 -0.098 0.000 0.863 26 T HN 0.333 nan 8.240 nan 0.000 0.436 27 L N 0.078 121.326 121.223 0.042 0.000 1.971 27 L HA -0.223 4.117 4.340 0.001 0.000 0.215 27 L C 2.555 179.546 176.870 0.202 0.000 1.072 27 L CA 2.018 56.897 54.840 0.065 0.000 0.758 27 L CB -0.623 41.437 42.059 0.001 0.000 0.889 27 L HN 0.358 nan 8.230 nan 0.000 0.433 28 H N -0.248 118.993 119.070 0.286 0.000 2.352 28 H HA -0.240 4.316 4.556 0.001 0.000 0.299 28 H C 2.227 177.624 175.328 0.114 0.000 1.097 28 H CA 1.983 58.190 56.048 0.265 0.000 1.311 28 H CB -0.037 29.825 29.762 0.166 0.000 1.377 28 H HN 0.291 nan 8.280 nan 0.000 0.504 29 Q N -0.227 119.572 119.800 -0.001 0.000 2.364 29 Q HA -0.123 4.217 4.340 0.001 0.000 0.209 29 Q C 0.655 176.602 176.000 -0.088 0.000 0.977 29 Q CA 1.240 56.991 55.803 -0.088 0.000 0.885 29 Q CB 0.059 28.798 28.738 0.002 0.000 0.941 29 Q HN 0.475 nan 8.270 nan 0.000 0.464 30 N N -0.963 117.709 118.700 -0.047 0.000 2.270 30 N HA 0.132 4.873 4.740 0.001 0.000 0.198 30 N C 0.210 175.699 175.510 -0.034 0.000 1.117 30 N CA 0.741 53.769 53.050 -0.038 0.000 0.845 30 N CB 0.993 39.464 38.487 -0.026 0.000 0.980 30 N HN 0.353 nan 8.380 nan 0.000 0.486 31 G N 0.017 108.778 108.800 -0.064 0.000 2.148 31 G HA2 -0.238 3.723 3.960 0.001 0.000 0.254 31 G HA3 -0.238 3.723 3.960 0.001 0.000 0.254 31 G C -0.098 174.839 174.900 0.062 0.000 0.981 31 G CA -0.273 44.808 45.100 -0.032 0.000 0.670 31 G HN 0.177 nan 8.290 nan 0.000 0.528 32 I N 1.042 121.683 120.570 0.119 0.000 2.474 32 I HA 0.317 4.487 4.170 0.001 0.000 0.287 32 I C 0.717 177.035 176.117 0.334 0.000 1.048 32 I CA -0.165 61.230 61.300 0.159 0.000 1.383 32 I CB 0.967 39.020 38.000 0.088 0.000 1.412 32 I HN 0.167 nan 8.210 nan 0.000 0.531 33 Q N 3.486 123.444 119.800 0.264 0.000 2.427 33 Q HA 0.269 4.609 4.340 0.001 0.000 0.232 33 Q C -0.663 175.479 176.000 0.237 0.000 1.018 33 Q CA -0.727 55.297 55.803 0.369 0.000 0.965 33 Q CB 0.780 29.661 28.738 0.237 0.000 1.232 33 Q HN 0.534 nan 8.270 nan 0.000 0.510 34 D N -0.037 120.533 120.400 0.284 0.000 3.003 34 D HA -0.161 4.479 4.640 0.001 0.000 0.223 34 D C -0.805 175.360 176.300 -0.226 0.000 1.204 34 D CA 0.565 54.622 54.000 0.095 0.000 0.828 34 D CB -1.500 39.336 40.800 0.060 0.000 0.918 34 D HN 0.339 nan 8.370 nan 0.000 0.401 35 C N 1.223 120.064 119.300 -0.764 0.000 2.634 35 C HA 0.737 5.198 4.460 0.001 0.000 0.313 35 C C 0.434 174.805 174.990 -1.031 0.000 1.198 35 C CA -0.770 57.538 59.018 -1.183 0.000 1.605 35 C CB 1.791 28.371 27.740 -1.934 0.000 2.196 35 C HN 0.424 nan 8.230 nan 0.000 0.486 36 L N 2.380 123.245 121.223 -0.597 0.000 2.346 36 L HA 0.763 5.104 4.340 0.001 0.000 0.274 36 L C -0.882 175.787 176.870 -0.335 0.000 1.007 36 L CA -0.537 54.078 54.840 -0.375 0.000 0.818 36 L CB 1.806 43.659 42.059 -0.343 0.000 1.284 36 L HN 0.359 nan 8.230 nan 0.000 0.424 37 V N 4.396 124.187 119.914 -0.205 0.000 2.380 37 V HA 0.348 4.468 4.120 0.001 0.000 0.286 37 V C -0.173 175.847 176.094 -0.124 0.000 1.015 37 V CA -0.414 61.795 62.300 -0.151 0.000 0.834 37 V CB 1.400 33.194 31.823 -0.048 0.000 1.009 37 V HN 0.490 nan 8.190 nan 0.000 0.428 38 L N 3.702 124.822 121.223 -0.172 0.000 2.272 38 L HA 0.607 4.947 4.340 0.001 0.000 0.284 38 L C 0.071 176.870 176.870 -0.118 0.000 1.045 38 L CA -0.293 54.443 54.840 -0.173 0.000 0.842 38 L CB 1.072 42.980 42.059 -0.252 0.000 1.224 38 L HN 0.581 nan 8.230 nan 0.000 0.430 39 E N 2.100 122.254 120.200 -0.078 0.000 2.231 39 E HA 0.478 4.828 4.350 0.001 0.000 0.277 39 E C 0.486 177.017 176.600 -0.116 0.000 0.999 39 E CA -0.090 56.265 56.400 -0.075 0.000 0.827 39 E CB 2.061 31.754 29.700 -0.013 0.000 1.101 39 E HN 0.537 nan 8.360 nan 0.000 0.393 40 A N 5.245 127.928 122.820 -0.229 0.000 1.930 40 A HA 0.055 4.376 4.320 0.001 0.000 0.215 40 A C 1.018 178.524 177.584 -0.131 0.000 1.176 40 A CA 0.740 52.561 52.037 -0.359 0.000 0.632 40 A CB -0.124 18.256 19.000 -1.033 0.000 0.819 40 A HN 0.583 nan 8.150 nan 0.000 0.445 41 R N 0.408 120.893 120.500 -0.025 0.000 2.652 41 R HA 0.161 4.501 4.340 0.001 0.000 0.271 41 R C 0.080 176.433 176.300 0.089 0.000 1.129 41 R CA 0.246 56.436 56.100 0.149 0.000 1.200 41 R CB 0.131 30.547 30.300 0.194 0.000 1.146 41 R HN 0.531 nan 8.270 nan 0.000 0.581 42 D N 0.566 121.022 120.400 0.094 0.000 2.328 42 D HA -0.036 4.604 4.640 0.001 0.000 0.226 42 D C 0.084 176.421 176.300 0.061 0.000 1.066 42 D CA 0.175 54.214 54.000 0.065 0.000 0.861 42 D CB 0.211 41.045 40.800 0.057 0.000 0.912 42 D HN 0.429 nan 8.370 nan 0.000 0.521 43 R N -0.892 119.652 120.500 0.073 0.000 2.781 43 R HA 0.519 4.859 4.340 0.001 0.000 0.269 43 R C 0.078 176.429 176.300 0.085 0.000 1.025 43 R CA -0.963 55.181 56.100 0.073 0.000 0.914 43 R CB 1.257 31.601 30.300 0.073 0.000 1.236 43 R HN -0.133 nan 8.270 nan 0.000 0.465 44 V N -1.382 118.584 119.914 0.088 0.000 4.635 44 V HA 0.668 4.788 4.120 0.001 0.000 0.272 44 V C 1.378 177.541 176.094 0.115 0.000 1.265 44 V CA 0.415 62.777 62.300 0.104 0.000 0.747 44 V CB -0.258 31.634 31.823 0.114 0.000 1.246 44 V HN 1.148 nan 8.190 nan 0.000 0.404 45 G N -1.042 107.832 108.800 0.123 0.000 2.480 45 G HA2 -0.116 3.845 3.960 0.001 0.000 0.246 45 G HA3 -0.116 3.845 3.960 0.001 0.000 0.246 45 G C 1.972 176.944 174.900 0.120 0.000 1.073 45 G CA 1.596 46.771 45.100 0.124 0.000 0.643 45 G HN 2.657 nan 8.290 nan 0.000 0.525 46 G N 0.154 109.038 108.800 0.139 0.000 2.629 46 G HA2 -0.405 3.555 3.960 0.001 0.000 0.313 46 G HA3 -0.405 3.555 3.960 0.001 0.000 0.313 46 G C 0.783 175.790 174.900 0.177 0.000 1.217 46 G CA 1.325 46.515 45.100 0.150 0.000 0.994 46 G HN 1.288 nan 8.290 nan 0.000 0.549 47 R N 0.249 120.749 120.500 0.001 0.000 2.340 47 R HA 0.287 4.627 4.340 0.001 0.000 0.215 47 R C 0.202 176.373 176.300 -0.214 0.000 1.017 47 R CA 0.097 56.011 56.100 -0.310 0.000 1.111 47 R CB -0.334 29.655 30.300 -0.518 0.000 1.049 47 R HN 0.312 nan 8.270 nan 0.000 0.490 48 L N 1.440 122.656 121.223 -0.013 0.000 2.324 48 L HA 0.337 4.677 4.340 0.001 0.000 0.274 48 L C -0.588 176.357 176.870 0.124 0.000 1.012 48 L CA -0.386 54.440 54.840 -0.024 0.000 0.859 48 L CB 1.385 43.428 42.059 -0.027 0.000 1.224 48 L HN 0.063 nan 8.230 nan 0.000 0.429 49 Q N 2.354 122.268 119.800 0.191 0.000 2.285 49 Q HA 0.474 4.814 4.340 0.001 0.000 0.269 49 Q C -1.339 174.749 176.000 0.146 0.000 1.030 49 Q CA -0.448 55.472 55.803 0.195 0.000 0.788 49 Q CB 2.631 31.529 28.738 0.267 0.000 1.266 49 Q HN 0.449 nan 8.270 nan 0.000 0.438 50 T N 2.627 117.242 114.554 0.101 0.000 2.902 50 T HA 0.628 4.978 4.350 0.001 0.000 0.283 50 T C -0.624 174.117 174.700 0.069 0.000 1.009 50 T CA -0.466 61.681 62.100 0.079 0.000 1.051 50 T CB 1.325 70.221 68.868 0.047 0.000 0.999 50 T HN 0.525 nan 8.240 nan 0.000 0.474 51 V N 0.261 120.226 119.914 0.084 0.000 3.007 51 V HA 0.847 4.967 4.120 0.001 0.000 0.311 51 V C -0.455 175.695 176.094 0.094 0.000 1.120 51 V CA -0.831 61.513 62.300 0.072 0.000 0.980 51 V CB 2.058 33.917 31.823 0.061 0.000 1.033 51 V HN 0.794 nan 8.190 nan 0.000 0.429 52 T N 2.427 117.021 114.554 0.067 0.000 2.902 52 T HA 0.853 5.203 4.350 0.001 0.000 0.283 52 T C 0.400 175.167 174.700 0.111 0.000 1.009 52 T CA 0.330 62.471 62.100 0.067 0.000 1.051 52 T CB 1.491 70.371 68.868 0.021 0.000 0.999 52 T HN 1.377 nan 8.240 nan 0.000 0.474 53 G N 0.197 109.097 108.800 0.167 0.000 3.259 53 G HA2 0.463 4.423 3.960 0.001 0.000 0.178 53 G HA3 0.463 4.423 3.960 0.001 0.000 0.178 53 G C -0.904 174.109 174.900 0.189 0.000 1.129 53 G CA -0.677 44.536 45.100 0.188 0.000 0.816 53 G HN 0.601 nan 8.290 nan 0.000 0.634 54 Y N 1.228 121.575 120.300 0.079 0.000 2.757 54 Y HA 0.051 4.601 4.550 0.001 0.000 0.344 54 Y C 1.654 177.586 175.900 0.052 0.000 1.263 54 Y CA 1.547 59.678 58.100 0.050 0.000 1.493 54 Y CB 0.261 38.749 38.460 0.046 0.000 1.342 54 Y HN 0.705 nan 8.280 nan 0.000 0.627 55 Q N 3.186 122.624 119.800 -0.603 0.000 2.331 55 Q HA -0.307 4.033 4.340 0.001 0.000 0.269 55 Q C 1.064 176.945 176.000 -0.198 0.000 1.089 55 Q CA 0.993 56.500 55.803 -0.494 0.000 0.964 55 Q CB -1.891 26.477 28.738 -0.618 0.000 1.398 55 Q HN 1.277 nan 8.270 nan 0.000 0.545 56 G N -0.286 108.451 108.800 -0.104 0.000 2.148 56 G HA2 -0.365 3.596 3.960 0.001 0.000 0.254 56 G HA3 -0.365 3.596 3.960 0.001 0.000 0.254 56 G C 0.081 174.942 174.900 -0.066 0.000 0.981 56 G CA 0.375 45.437 45.100 -0.065 0.000 0.670 56 G HN 0.391 nan 8.290 nan 0.000 0.528 57 R N 0.111 120.577 120.500 -0.057 0.000 2.694 57 R HA 0.489 4.829 4.340 0.001 0.000 0.268 57 R C 0.426 176.568 176.300 -0.264 0.000 1.061 57 R CA 0.344 56.339 56.100 -0.174 0.000 1.133 57 R CB 0.501 30.702 30.300 -0.165 0.000 1.020 57 R HN 0.270 nan 8.270 nan 0.000 0.475 58 K N 2.035 122.188 120.400 -0.412 0.000 2.259 58 K HA 0.375 4.695 4.320 0.001 0.000 0.252 58 K C -1.349 174.943 176.600 -0.514 0.000 0.936 58 K CA -0.603 55.507 56.287 -0.297 0.000 0.810 58 K CB 1.685 34.098 32.500 -0.145 0.000 1.143 58 K HN 0.402 nan 8.250 nan 0.000 0.427 59 Y N 0.176 120.499 120.300 0.038 0.000 2.457 59 Y HA 0.142 4.692 4.550 0.000 0.000 0.343 59 Y C -0.395 175.519 175.900 0.023 0.000 0.994 59 Y CA -1.101 57.027 58.100 0.048 0.000 1.031 59 Y CB 1.691 40.184 38.460 0.055 0.000 1.246 59 Y HN 0.479 nan 8.280 nan 0.000 0.449 60 D N 3.318 123.801 120.400 0.139 0.000 2.455 60 D HA 0.052 4.692 4.640 0.001 0.000 0.234 60 D C 0.966 177.334 176.300 0.113 0.000 1.224 60 D CA 0.388 54.427 54.000 0.065 0.000 0.999 60 D CB 0.840 41.599 40.800 -0.067 0.000 1.072 60 D HN 0.564 nan 8.370 nan 0.000 0.514 61 I N 1.743 122.417 120.570 0.173 0.000 2.850 61 I HA -0.069 4.101 4.170 0.001 0.000 0.266 61 I C 1.411 177.792 176.117 0.439 0.000 1.257 61 I CA 0.775 62.208 61.300 0.222 0.000 1.465 61 I CB 0.146 38.223 38.000 0.129 0.000 1.091 61 I HN 0.309 nan 8.210 nan 0.000 0.467 62 G N -0.891 108.112 108.800 0.339 0.000 3.434 62 G HA2 0.589 4.549 3.960 0.001 0.000 0.197 62 G HA3 0.589 4.549 3.960 0.001 0.000 0.197 62 G C 0.018 174.860 174.900 -0.096 0.000 1.559 62 G CA 0.108 45.313 45.100 0.174 0.000 0.852 62 G HN 0.408 nan 8.290 nan 0.000 0.682 63 A N -1.050 121.584 122.820 -0.310 0.000 2.429 63 A HA 0.533 4.853 4.320 0.001 0.000 0.242 63 A C 1.004 178.346 177.584 -0.403 0.000 1.088 63 A CA 1.128 52.880 52.037 -0.475 0.000 0.784 63 A CB 0.960 19.387 19.000 -0.955 0.000 1.038 63 A HN 1.132 nan 8.150 nan 0.000 0.501 64 S N -1.086 114.420 115.700 -0.324 0.000 2.348 64 S HA 0.185 4.655 4.470 0.001 0.000 0.276 64 S C -0.605 173.650 174.600 -0.575 0.000 1.027 64 S CA -0.257 57.676 58.200 -0.446 0.000 1.386 64 S CB 0.044 62.818 63.200 -0.710 0.000 1.122 64 S HN 0.665 nan 8.310 nan 0.000 0.573 65 W N 2.468 123.704 121.300 -0.108 0.000 2.689 65 W HA 0.523 5.184 4.660 0.001 0.000 0.340 65 W C -0.598 175.662 176.519 -0.432 0.000 1.060 65 W CA -0.511 56.630 57.345 -0.341 0.000 1.218 65 W CB 0.642 29.791 29.460 -0.519 0.000 1.410 65 W HN 0.186 nan 8.180 nan 0.000 0.528 66 H N 2.411 121.386 119.070 -0.160 0.000 2.690 66 H HA 0.215 4.772 4.556 0.000 0.000 0.289 66 H C 0.182 175.246 175.328 -0.441 0.000 1.089 66 H CA 0.014 55.908 56.048 -0.256 0.000 1.299 66 H CB 0.378 29.870 29.762 -0.449 0.000 1.405 66 H HN 0.167 nan 8.280 nan 0.000 0.463 67 H N 2.330 121.428 119.070 0.047 0.000 2.482 67 H HA 0.043 4.599 4.556 0.000 0.000 0.344 67 H C 0.223 175.501 175.328 -0.083 0.000 1.151 67 H CA -0.212 55.760 56.048 -0.126 0.000 1.300 67 H CB 1.056 30.744 29.762 -0.122 0.000 1.494 67 H HN 0.638 nan 8.280 nan 0.000 0.542 68 D N 0.908 121.262 120.400 -0.076 0.000 2.705 68 D HA -0.150 4.490 4.640 0.001 0.000 0.240 68 D C 0.931 177.107 176.300 -0.205 0.000 1.137 68 D CA 1.102 55.052 54.000 -0.083 0.000 0.677 68 D CB -1.911 38.903 40.800 0.023 0.000 1.049 68 D HN 0.774 nan 8.370 nan 0.000 0.427 69 T N -2.947 111.433 114.554 -0.289 0.000 3.320 69 T HA 0.012 4.363 4.350 0.001 0.000 0.262 69 T C 1.732 176.395 174.700 -0.062 0.000 1.187 69 T CA 0.299 62.164 62.100 -0.392 0.000 1.038 69 T CB -0.021 68.382 68.868 -0.775 0.000 0.939 69 T HN 0.463 nan 8.240 nan 0.000 0.550 70 L N 0.604 121.791 121.223 -0.059 0.000 2.515 70 L HA 0.199 4.540 4.340 0.001 0.000 0.223 70 L C 2.592 179.442 176.870 -0.033 0.000 1.079 70 L CA 1.052 55.887 54.840 -0.008 0.000 0.857 70 L CB 0.165 42.224 42.059 0.000 0.000 1.050 70 L HN 0.502 nan 8.230 nan 0.000 0.476 71 T N -5.664 108.829 114.554 -0.101 0.000 3.016 71 T HA 0.030 4.380 4.350 0.001 0.000 0.271 71 T C 0.651 175.175 174.700 -0.293 0.000 0.968 71 T CA -0.340 61.681 62.100 -0.133 0.000 0.891 71 T CB -0.465 68.349 68.868 -0.090 0.000 1.149 71 T HN 0.105 nan 8.240 nan 0.000 0.524 72 N N 4.006 122.433 118.700 -0.455 0.000 2.411 72 N HA 0.070 4.811 4.740 0.001 0.000 0.282 72 N C -1.030 174.250 175.510 -0.384 0.000 1.322 72 N CA -1.262 51.327 53.050 -0.769 0.000 0.943 72 N CB 0.927 39.056 38.487 -0.598 0.000 1.266 72 N HN 0.141 nan 8.380 nan 0.000 0.486 73 P HA -0.240 nan 4.420 nan 0.000 0.214 73 P C 1.490 178.514 177.300 -0.459 0.000 1.163 73 P CA 0.836 63.823 63.100 -0.188 0.000 0.889 73 P CB 0.132 31.904 31.700 0.121 0.000 0.790 74 L N -0.791 119.922 121.223 -0.850 0.000 2.012 74 L HA -0.153 4.187 4.340 0.001 0.000 0.210 74 L C 2.572 179.102 176.870 -0.567 0.000 1.073 74 L CA 1.758 55.945 54.840 -1.089 0.000 0.748 74 L CB -1.882 39.526 42.059 -1.085 0.000 0.891 74 L HN -0.178 nan 8.230 nan 0.000 0.431 75 F N -0.408 119.183 119.950 -0.599 0.000 2.126 75 F HA -0.252 4.276 4.527 0.001 0.000 0.299 75 F C 2.107 177.667 175.800 -0.400 0.000 1.096 75 F CA 1.757 59.346 58.000 -0.685 0.000 1.255 75 F CB -0.431 38.181 39.000 -0.647 0.000 0.997 75 F HN 0.083 nan 8.300 nan 0.000 0.479 76 L N 0.003 120.967 121.223 -0.433 0.000 1.989 76 L HA -0.260 4.080 4.340 0.001 0.000 0.211 76 L C 2.529 179.206 176.870 -0.321 0.000 1.071 76 L CA 2.138 56.760 54.840 -0.364 0.000 0.749 76 L CB -1.067 40.891 42.059 -0.168 0.000 0.890 76 L HN 0.216 nan 8.230 nan 0.000 0.431 77 E N 0.079 120.125 120.200 -0.256 0.000 2.114 77 E HA -0.262 4.089 4.350 0.001 0.000 0.199 77 E C 2.072 178.568 176.600 -0.173 0.000 1.008 77 E CA 1.482 57.790 56.400 -0.154 0.000 0.810 77 E CB 0.141 29.780 29.700 -0.103 0.000 0.739 77 E HN 0.389 nan 8.360 nan 0.000 0.456 78 E N -0.216 119.829 120.200 -0.259 0.000 2.106 78 E HA -0.154 4.196 4.350 0.001 0.000 0.192 78 E C 1.964 178.485 176.600 -0.132 0.000 0.984 78 E CA 0.984 57.279 56.400 -0.174 0.000 0.806 78 E CB -0.180 29.434 29.700 -0.144 0.000 0.750 78 E HN 0.381 nan 8.360 nan 0.000 0.458 79 A N 1.366 124.050 122.820 -0.226 0.000 2.014 79 A HA -0.161 4.159 4.320 0.001 0.000 0.218 79 A C 2.116 179.637 177.584 -0.105 0.000 1.163 79 A CA 0.830 52.809 52.037 -0.097 0.000 0.652 79 A CB -0.224 18.602 19.000 -0.289 0.000 0.808 79 A HN 0.114 nan 8.150 nan 0.000 0.449 80 Q N 0.074 119.796 119.800 -0.130 0.000 1.985 80 Q HA -0.201 4.139 4.340 0.001 0.000 0.207 80 Q C 2.214 178.170 176.000 -0.074 0.000 0.996 80 Q CA 1.851 57.603 55.803 -0.084 0.000 0.851 80 Q CB -0.566 28.129 28.738 -0.072 0.000 0.921 80 Q HN 0.747 nan 8.270 nan 0.000 0.418 81 L N 0.225 121.398 121.223 -0.084 0.000 2.013 81 L HA -0.219 4.122 4.340 0.001 0.000 0.212 81 L C 2.604 179.414 176.870 -0.100 0.000 1.073 81 L CA 1.210 56.002 54.840 -0.081 0.000 0.753 81 L CB -0.765 41.243 42.059 -0.086 0.000 0.890 81 L HN 0.102 nan 8.230 nan 0.000 0.432 82 S N 0.198 115.814 115.700 -0.140 0.000 2.359 82 S HA -0.185 4.286 4.470 0.001 0.000 0.224 82 S C 1.920 176.466 174.600 -0.090 0.000 1.035 82 S CA 1.535 59.639 58.200 -0.161 0.000 1.018 82 S CB -0.358 62.682 63.200 -0.266 0.000 0.876 82 S HN 0.264 nan 8.310 nan 0.000 0.448 83 L N 2.012 123.199 121.223 -0.060 0.000 2.046 83 L HA -0.093 4.247 4.340 0.001 0.000 0.208 83 L C 1.658 178.505 176.870 -0.037 0.000 1.077 83 L CA 1.578 56.397 54.840 -0.034 0.000 0.747 83 L CB -0.754 41.291 42.059 -0.024 0.000 0.896 83 L HN 0.154 nan 8.230 nan 0.000 0.432 84 N N 0.458 119.132 118.700 -0.044 0.000 2.004 84 N HA -0.189 4.552 4.740 0.001 0.000 0.196 84 N C 0.912 176.398 175.510 -0.040 0.000 1.064 84 N CA 1.853 54.880 53.050 -0.038 0.000 0.855 84 N CB -0.458 38.005 38.487 -0.039 0.000 1.056 84 N HN 0.622 nan 8.380 nan 0.000 0.423 85 D N -1.450 118.919 120.400 -0.051 0.000 2.370 85 D HA 0.243 4.883 4.640 0.001 0.000 0.230 85 D C 0.906 177.171 176.300 -0.058 0.000 1.143 85 D CA 0.103 54.073 54.000 -0.051 0.000 0.834 85 D CB -0.438 40.330 40.800 -0.053 0.000 0.944 85 D HN 0.298 nan 8.370 nan 0.000 0.504 86 G N -0.536 108.228 108.800 -0.060 0.000 2.291 86 G HA2 -0.387 3.573 3.960 0.001 0.000 0.287 86 G HA3 -0.387 3.573 3.960 0.001 0.000 0.287 86 G C 0.816 175.669 174.900 -0.078 0.000 0.998 86 G CA 0.763 45.827 45.100 -0.060 0.000 0.728 86 G HN 0.831 nan 8.290 nan 0.000 0.519 87 R N -0.904 119.536 120.500 -0.101 0.000 2.649 87 R HA 0.731 5.071 4.340 0.001 0.000 0.270 87 R C 0.504 176.703 176.300 -0.168 0.000 1.105 87 R CA 0.685 56.716 56.100 -0.115 0.000 1.193 87 R CB 0.191 nan 30.300 nan 0.000 1.120 87 R HN 0.472 nan 8.270 nan 0.000 0.561 88 T N 1.608 116.065 114.554 -0.161 0.000 2.781 88 T HA 0.322 4.673 4.350 0.001 0.000 0.305 88 T C 0.610 175.151 174.700 -0.264 0.000 1.001 88 T CA -0.282 61.695 62.100 -0.206 0.000 0.950 88 T CB 0.343 69.150 68.868 -0.102 0.000 0.955 88 T HN 0.588 nan 8.240 nan 0.000 0.471 89 R N 2.187 122.389 120.500 -0.496 0.000 2.397 89 R HA 0.318 4.658 4.340 0.001 0.000 0.241 89 R C -0.500 175.634 176.300 -0.276 0.000 0.914 89 R CA 0.066 55.916 56.100 -0.416 0.000 1.071 89 R CB 0.340 30.378 30.300 -0.438 0.000 1.116 89 R HN 0.619 nan 8.270 nan 0.000 0.524 90 F N -3.975 115.984 119.950 0.016 0.000 2.829 90 F HA 0.427 4.954 4.527 0.001 0.000 0.319 90 F C -1.712 174.145 175.800 0.095 0.000 1.153 90 F CA -1.845 56.176 58.000 0.035 0.000 0.912 90 F CB 0.782 39.839 39.000 0.095 0.000 1.292 90 F HN -0.328 nan 8.300 nan 0.000 0.447 91 V N 1.965 122.150 119.914 0.452 0.000 2.668 91 V HA 0.615 4.735 4.120 0.001 0.000 0.304 91 V C -1.505 174.751 176.094 0.271 0.000 1.071 91 V CA -0.798 61.733 62.300 0.386 0.000 0.894 91 V CB 1.607 33.614 31.823 0.306 0.000 1.008 91 V HN 0.696 nan 8.190 nan 0.000 0.425 92 F N 6.045 126.141 119.950 0.243 0.000 2.487 92 F HA 0.284 4.811 4.527 0.001 0.000 0.364 92 F C 1.179 177.067 175.800 0.147 0.000 1.126 92 F CA -0.002 58.086 58.000 0.147 0.000 1.135 92 F CB 0.734 39.783 39.000 0.082 0.000 1.127 92 F HN 0.769 nan 8.300 nan 0.000 0.559 93 D N -0.231 120.328 120.400 0.264 0.000 2.395 93 D HA -0.017 4.623 4.640 0.001 0.000 0.213 93 D C -0.211 176.176 176.300 0.144 0.000 1.110 93 D CA -0.202 53.914 54.000 0.193 0.000 0.835 93 D CB -0.430 40.462 40.800 0.154 0.000 0.965 93 D HN 0.228 nan 8.370 nan 0.000 0.505 94 D N 1.461 121.957 120.400 0.161 0.000 2.520 94 D HA 0.065 4.705 4.640 0.001 0.000 0.243 94 D C -0.286 176.084 176.300 0.116 0.000 1.160 94 D CA 0.944 55.025 54.000 0.136 0.000 0.877 94 D CB 1.006 41.897 40.800 0.151 0.000 1.150 94 D HN 0.236 nan 8.370 nan 0.000 0.494 95 D N 1.166 121.617 120.400 0.085 0.000 2.559 95 D HA 0.120 4.761 4.640 0.001 0.000 0.250 95 D C -0.584 175.775 176.300 0.099 0.000 1.135 95 D CA -0.625 53.404 54.000 0.048 0.000 0.955 95 D CB 1.511 42.294 40.800 -0.029 0.000 1.442 95 D HN 0.087 nan 8.370 nan 0.000 0.471 96 N N 1.421 120.166 118.700 0.075 0.000 2.427 96 N HA 0.057 4.797 4.740 0.001 0.000 0.269 96 N C -0.179 175.399 175.510 0.112 0.000 1.235 96 N CA 0.183 53.306 53.050 0.122 0.000 0.934 96 N CB -0.034 38.469 38.487 0.027 0.000 1.121 96 N HN 0.203 nan 8.380 nan 0.000 0.480 97 F N 1.905 121.817 119.950 -0.065 0.000 2.607 97 F HA 0.069 4.596 4.527 0.000 0.000 0.374 97 F C 1.326 176.955 175.800 -0.285 0.000 1.104 97 F CA 0.165 58.025 58.000 -0.233 0.000 1.296 97 F CB 0.318 39.058 39.000 -0.433 0.000 1.085 97 F HN 0.244 nan 8.300 nan 0.000 0.584 98 I N 5.021 125.455 120.570 -0.227 0.000 2.328 98 I HA 0.169 4.339 4.170 0.001 0.000 0.287 98 I C -0.946 175.035 176.117 -0.227 0.000 1.012 98 I CA -0.691 60.527 61.300 -0.138 0.000 1.195 98 I CB 0.649 38.585 38.000 -0.107 0.000 1.350 98 I HN 0.413 nan 8.210 nan 0.000 0.464 99 Y N 6.794 127.170 120.300 0.126 0.000 2.326 99 Y HA 0.530 5.080 4.550 0.001 0.000 0.337 99 Y C 0.198 176.145 175.900 0.078 0.000 1.023 99 Y CA -0.514 57.664 58.100 0.130 0.000 1.143 99 Y CB 1.230 39.770 38.460 0.134 0.000 1.183 99 Y HN 0.340 nan 8.280 nan 0.000 0.485 100 I N 3.083 123.782 120.570 0.216 0.000 2.418 100 I HA 0.245 4.415 4.170 0.001 0.000 0.287 100 I C -0.938 175.320 176.117 0.235 0.000 1.008 100 I CA -0.661 60.736 61.300 0.163 0.000 1.104 100 I CB 1.843 39.910 38.000 0.110 0.000 1.264 100 I HN 0.579 nan 8.210 nan 0.000 0.438 101 D N 4.155 124.628 120.400 0.123 0.000 2.181 101 D HA 0.142 4.782 4.640 0.001 0.000 0.248 101 D C 0.969 177.231 176.300 -0.063 0.000 1.020 101 D CA -0.355 53.697 54.000 0.085 0.000 0.891 101 D CB 1.840 42.629 40.800 -0.018 0.000 1.187 101 D HN 0.590 nan 8.370 nan 0.000 0.443 102 E N 1.865 121.803 120.200 -0.437 0.000 2.023 102 E HA -0.263 4.087 4.350 0.001 0.000 0.196 102 E C 1.312 177.685 176.600 -0.378 0.000 1.003 102 E CA 1.250 57.135 56.400 -0.859 0.000 0.809 102 E CB 0.156 28.857 29.700 -1.665 0.000 0.755 102 E HN 0.711 nan 8.360 nan 0.000 0.449 103 E N 0.195 120.227 120.200 -0.280 0.000 2.017 103 E HA -0.232 4.118 4.350 0.001 0.000 0.193 103 E C 2.334 178.889 176.600 -0.075 0.000 0.997 103 E CA 1.205 57.521 56.400 -0.140 0.000 0.804 103 E CB -0.089 29.566 29.700 -0.076 0.000 0.757 103 E HN 0.037 nan 8.360 nan 0.000 0.448 104 R N -0.566 119.904 120.500 -0.050 0.000 2.115 104 R HA 0.023 4.363 4.340 0.001 0.000 0.226 104 R C 0.990 177.251 176.300 -0.065 0.000 1.100 104 R CA 1.162 57.227 56.100 -0.060 0.000 0.980 104 R CB 0.072 30.293 30.300 -0.131 0.000 0.875 104 R HN 0.378 nan 8.270 nan 0.000 0.445 105 G N 0.027 108.792 108.800 -0.058 0.000 2.516 105 G HA2 -0.261 3.699 3.960 0.001 0.000 0.220 105 G HA3 -0.261 3.699 3.960 0.001 0.000 0.220 105 G C -1.067 173.825 174.900 -0.012 0.000 1.165 105 G CA -0.213 44.874 45.100 -0.020 0.000 1.013 105 G HN 0.309 nan 8.290 nan 0.000 0.590 106 R N 0.173 120.673 120.500 0.000 0.000 2.594 106 R HA 0.443 4.783 4.340 0.001 0.000 0.272 106 R C 1.030 177.328 176.300 -0.004 0.000 1.074 106 R CA 0.537 56.652 56.100 0.024 0.000 1.105 106 R CB 1.096 31.419 30.300 0.037 0.000 1.008 106 R HN 1.234 nan 8.270 nan 0.000 0.472 107 V N -2.500 117.434 119.914 0.034 0.000 3.415 107 V HA 0.086 4.206 4.120 0.001 0.000 0.315 107 V C -0.129 176.018 176.094 0.088 0.000 1.516 107 V CA -0.545 61.744 62.300 -0.018 0.000 1.122 107 V CB 0.160 31.882 31.823 -0.168 0.000 0.988 107 V HN 0.751 nan 8.190 nan 0.000 0.474 108 D N 0.083 120.600 120.400 0.195 0.000 2.264 108 D HA 0.203 4.843 4.640 0.001 0.000 0.249 108 D C 0.481 176.940 176.300 0.264 0.000 1.070 108 D CA -0.233 53.948 54.000 0.302 0.000 0.912 108 D CB 0.863 41.891 40.800 0.380 0.000 1.193 108 D HN 0.367 nan 8.370 nan 0.000 0.427 109 H N -0.411 118.735 119.070 0.125 0.000 2.655 109 H HA -0.215 4.342 4.556 0.001 0.000 0.313 109 H C -0.921 174.443 175.328 0.060 0.000 1.141 109 H CA 0.932 57.032 56.048 0.086 0.000 1.138 109 H CB -1.076 28.737 29.762 0.086 0.000 1.446 109 H HN 0.447 nan 8.280 nan 0.000 0.415 110 D N 0.223 120.633 120.400 0.017 0.000 2.295 110 D HA 0.224 4.865 4.640 0.001 0.000 0.248 110 D C 1.433 177.697 176.300 -0.061 0.000 1.154 110 D CA 0.663 54.655 54.000 -0.014 0.000 0.857 110 D CB 0.817 41.620 40.800 0.005 0.000 1.117 110 D HN 0.641 nan 8.370 nan 0.000 0.468 111 K N 2.977 123.337 120.400 -0.067 0.000 2.173 111 K HA -0.225 4.096 4.320 0.001 0.000 0.207 111 K C 1.759 178.340 176.600 -0.032 0.000 1.046 111 K CA 2.438 58.686 56.287 -0.065 0.000 0.929 111 K CB -0.911 31.566 32.500 -0.039 0.000 0.720 111 K HN 0.706 nan 8.250 nan 0.000 0.453 112 E N -0.316 119.877 120.200 -0.012 0.000 2.330 112 E HA 0.377 4.727 4.350 0.001 0.000 0.200 112 E C 2.046 178.659 176.600 0.021 0.000 0.922 112 E CA 0.489 56.892 56.400 0.006 0.000 0.935 112 E CB -0.092 29.616 29.700 0.014 0.000 0.917 112 E HN 0.454 nan 8.360 nan 0.000 0.491 113 L N -0.168 121.068 121.223 0.022 0.000 2.131 113 L HA 0.189 4.529 4.340 0.001 0.000 0.206 113 L C 0.969 177.862 176.870 0.039 0.000 1.087 113 L CA 0.595 55.461 54.840 0.043 0.000 0.767 113 L CB -0.183 41.896 42.059 0.034 0.000 0.917 113 L HN 0.320 nan 8.230 nan 0.000 0.441 114 L N -0.082 121.150 121.223 0.015 0.000 3.829 114 L HA -0.306 4.035 4.340 0.001 0.000 0.440 114 L C 1.460 178.347 176.870 0.029 0.000 1.192 114 L CA -0.202 54.645 54.840 0.012 0.000 0.848 114 L CB -1.683 40.383 42.059 0.012 0.000 1.744 114 L HN 0.324 nan 8.230 nan 0.000 0.920 115 L N -0.691 120.547 121.223 0.025 0.000 2.013 115 L HA -0.255 4.085 4.340 0.001 0.000 0.212 115 L C 2.370 179.239 176.870 -0.003 0.000 1.073 115 L CA 2.124 56.970 54.840 0.010 0.000 0.753 115 L CB -0.276 41.762 42.059 -0.035 0.000 0.890 115 L HN 0.434 nan 8.230 nan 0.000 0.432 116 E N 0.452 120.656 120.200 0.007 0.000 2.097 116 E HA -0.227 4.124 4.350 0.001 0.000 0.196 116 E C 2.128 178.750 176.600 0.036 0.000 1.000 116 E CA 1.331 57.747 56.400 0.027 0.000 0.804 116 E CB -0.284 29.469 29.700 0.089 0.000 0.740 116 E HN 0.461 nan 8.360 nan 0.000 0.454 117 I N 0.368 120.961 120.570 0.040 0.000 2.226 117 I HA -0.225 3.946 4.170 0.001 0.000 0.245 117 I C 2.261 178.399 176.117 0.036 0.000 1.100 117 I CA 1.147 62.470 61.300 0.038 0.000 1.374 117 I CB -0.352 37.669 38.000 0.035 0.000 1.057 117 I HN 0.122 nan 8.210 nan 0.000 0.413 118 V N -1.981 117.961 119.914 0.046 0.000 2.871 118 V HA -0.159 3.961 4.120 0.001 0.000 0.256 118 V C 1.953 178.045 176.094 -0.005 0.000 1.082 118 V CA 1.863 64.203 62.300 0.067 0.000 1.105 118 V CB -0.695 31.201 31.823 0.122 0.000 0.713 118 V HN 0.350 nan 8.190 nan 0.000 0.473 119 D N 1.666 122.063 120.400 -0.005 0.000 2.178 119 D HA -0.214 4.426 4.640 0.001 0.000 0.202 119 D C 1.940 178.219 176.300 -0.036 0.000 0.974 119 D CA 1.690 55.679 54.000 -0.019 0.000 0.841 119 D CB -0.337 40.483 40.800 0.032 0.000 0.953 119 D HN 0.570 nan 8.370 nan 0.000 0.478 120 N N 0.259 118.949 118.700 -0.016 0.000 2.216 120 N HA -0.162 4.578 4.740 0.001 0.000 0.183 120 N C 1.666 177.134 175.510 -0.070 0.000 1.017 120 N CA 1.286 54.323 53.050 -0.022 0.000 0.861 120 N CB -0.151 38.343 38.487 0.010 0.000 0.986 120 N HN 0.259 nan 8.380 nan 0.000 0.428 121 E N -0.596 119.568 120.200 -0.059 0.000 2.110 121 E HA -0.228 4.122 4.350 0.001 0.000 0.193 121 E C 1.839 178.333 176.600 -0.176 0.000 0.988 121 E CA 1.036 57.416 56.400 -0.034 0.000 0.804 121 E CB -0.114 29.637 29.700 0.086 0.000 0.745 121 E HN 0.380 nan 8.360 nan 0.000 0.458 122 M N 0.656 119.985 119.600 -0.451 0.000 2.082 122 M HA -0.218 4.263 4.480 0.001 0.000 0.258 122 M C 2.301 178.308 176.300 -0.488 0.000 1.069 122 M CA 2.246 57.113 55.300 -0.722 0.000 1.102 122 M CB -0.550 31.713 32.600 -0.560 0.000 1.336 122 M HN 0.100 nan 8.290 nan 0.000 0.404 123 S N -0.099 115.281 115.700 -0.532 0.000 2.351 123 S HA -0.203 4.267 4.470 0.001 0.000 0.220 123 S C 2.119 176.467 174.600 -0.420 0.000 1.035 123 S CA 1.578 59.295 58.200 -0.805 0.000 1.031 123 S CB -0.433 62.550 63.200 -0.361 0.000 0.928 123 S HN 0.511 nan 8.310 nan 0.000 0.433 124 K N 0.454 120.737 120.400 -0.195 0.000 2.113 124 K HA -0.091 4.229 4.320 0.001 0.000 0.208 124 K C 1.822 178.388 176.600 -0.056 0.000 1.047 124 K CA 1.397 57.629 56.287 -0.092 0.000 0.928 124 K CB -0.999 31.483 32.500 -0.030 0.000 0.716 124 K HN 0.627 nan 8.250 nan 0.000 0.446 125 F N 1.372 121.218 119.950 -0.173 0.000 2.134 125 F HA -0.199 4.329 4.527 0.001 0.000 0.299 125 F C 2.095 177.822 175.800 -0.121 0.000 1.097 125 F CA 1.506 59.452 58.000 -0.090 0.000 1.264 125 F CB -0.338 38.651 39.000 -0.017 0.000 1.001 125 F HN 0.010 nan 8.300 nan 0.000 0.479 126 A N -0.011 122.658 122.820 -0.252 0.000 1.873 126 A HA -0.210 4.110 4.320 0.001 0.000 0.215 126 A C 2.259 179.781 177.584 -0.104 0.000 1.186 126 A CA 1.629 53.537 52.037 -0.214 0.000 0.616 126 A CB -1.105 17.826 19.000 -0.115 0.000 0.823 126 A HN 0.565 nan 8.150 nan 0.000 0.442 127 E N -0.087 120.055 120.200 -0.097 0.000 2.070 127 E HA -0.213 4.138 4.350 0.001 0.000 0.197 127 E C 1.951 178.540 176.600 -0.017 0.000 1.004 127 E CA 1.439 57.838 56.400 -0.002 0.000 0.805 127 E CB -0.227 29.450 29.700 -0.039 0.000 0.744 127 E HN 0.639 nan 8.360 nan 0.000 0.451 128 L N 0.741 121.890 121.223 -0.123 0.000 2.027 128 L HA -0.160 4.181 4.340 0.001 0.000 0.206 128 L C 2.663 179.404 176.870 -0.215 0.000 1.074 128 L CA 0.947 55.718 54.840 -0.115 0.000 0.745 128 L CB -0.492 41.487 42.059 -0.134 0.000 0.898 128 L HN 0.130 nan 8.230 nan 0.000 0.433 129 E N 0.006 119.900 120.200 -0.510 0.000 2.187 129 E HA -0.224 4.126 4.350 0.001 0.000 0.199 129 E C 1.895 178.040 176.600 -0.759 0.000 1.004 129 E CA 1.697 57.640 56.400 -0.761 0.000 0.813 129 E CB -0.091 28.906 29.700 -1.171 0.000 0.736 129 E HN 0.521 nan 8.360 nan 0.000 0.468 130 F N -1.479 118.405 119.950 -0.110 0.000 2.720 130 F HA 0.073 4.600 4.527 0.001 0.000 0.301 130 F C 0.975 176.820 175.800 0.074 0.000 1.103 130 F CA -0.579 57.392 58.000 -0.048 0.000 1.291 130 F CB 0.044 39.007 39.000 -0.061 0.000 1.086 130 F HN -0.089 nan 8.300 nan 0.000 0.592 131 H N 2.517 121.646 119.070 0.098 0.000 3.157 131 H HA 0.266 4.822 4.556 0.001 0.000 0.299 131 H C 0.607 175.990 175.328 0.092 0.000 0.961 131 H CA 0.537 56.633 56.048 0.081 0.000 1.428 131 H CB -0.066 29.713 29.762 0.029 0.000 1.459 131 H HN 0.403 nan 8.280 nan 0.000 0.566 132 Q N 3.330 123.034 119.800 -0.159 0.000 2.448 132 Q HA -0.177 4.164 4.340 0.001 0.000 0.357 132 Q C -0.900 175.097 176.000 -0.004 0.000 1.443 132 Q CA 1.624 57.318 55.803 -0.181 0.000 0.996 132 Q CB -2.941 nan 28.738 nan 0.000 1.180 132 Q HN 1.077 nan 8.270 nan 0.000 0.338 133 H N -0.721 118.350 119.070 0.001 0.000 2.679 133 H HA 0.832 5.388 4.556 0.001 0.000 0.360 133 H C 0.866 176.219 175.328 0.041 0.000 1.105 133 H CA 0.318 56.388 56.048 0.037 0.000 1.196 133 H CB 1.279 31.119 29.762 0.129 0.000 1.636 133 H HN 1.299 nan 8.280 nan 0.000 0.531 140 S N 3.375 119.152 115.700 0.129 0.000 2.651 140 S HA 0.636 5.106 4.470 0.001 0.000 0.291 140 S C 0.681 175.418 174.600 0.228 0.000 1.141 140 S CA -0.445 57.849 58.200 0.156 0.000 1.027 140 S CB 0.997 64.275 63.200 0.130 0.000 1.043 140 S HN 1.125 nan 8.310 nan 0.000 0.530 141 F N 1.740 121.751 119.950 0.101 0.000 2.192 141 F HA -0.074 4.454 4.527 0.000 0.000 0.301 141 F C 1.433 177.327 175.800 0.158 0.000 1.079 141 F CA 0.978 59.062 58.000 0.140 0.000 1.303 141 F CB -0.828 38.245 39.000 0.122 0.000 1.024 141 F HN 0.748 nan 8.300 nan 0.000 0.494 142 F N 1.282 121.100 119.950 -0.219 0.000 2.113 142 F HA -0.154 4.374 4.527 0.001 0.000 0.297 142 F C 2.429 177.975 175.800 -0.423 0.000 1.103 142 F CA 2.015 59.578 58.000 -0.728 0.000 1.248 142 F CB -0.979 37.401 39.000 -1.033 0.000 0.999 142 F HN 0.039 nan 8.300 nan 0.000 0.475 143 Q N -0.051 119.568 119.800 -0.301 0.000 2.112 143 Q HA -0.247 4.093 4.340 0.001 0.000 0.206 143 Q C 2.176 178.053 176.000 -0.205 0.000 0.987 143 Q CA 2.045 57.672 55.803 -0.293 0.000 0.858 143 Q CB -0.581 28.127 28.738 -0.049 0.000 0.905 143 Q HN 0.460 nan 8.270 nan 0.000 0.420 144 L N -0.076 121.136 121.223 -0.020 0.000 2.017 144 L HA -0.165 4.175 4.340 0.001 0.000 0.208 144 L C 2.137 179.075 176.870 0.114 0.000 1.073 144 L CA 1.464 56.396 54.840 0.154 0.000 0.745 144 L CB -0.539 41.732 42.059 0.354 0.000 0.894 144 L HN 0.027 nan 8.230 nan 0.000 0.432 145 V N -0.537 119.338 119.914 -0.065 0.000 2.332 145 V HA -0.339 3.782 4.120 0.001 0.000 0.248 145 V C 2.612 178.644 176.094 -0.103 0.000 1.055 145 V CA 1.832 64.100 62.300 -0.053 0.000 1.038 145 V CB -0.623 31.135 31.823 -0.109 0.000 0.651 145 V HN 0.414 nan 8.190 nan 0.000 0.450 146 M N -0.424 118.966 119.600 -0.350 0.000 2.117 146 M HA -0.152 4.328 4.480 0.001 0.000 0.262 146 M C 2.106 178.291 176.300 -0.191 0.000 1.065 146 M CA 1.656 56.755 55.300 -0.335 0.000 1.114 146 M CB -1.190 31.061 32.600 -0.582 0.000 1.361 146 M HN 0.346 nan 8.290 nan 0.000 0.408 147 K N -0.706 119.631 120.400 -0.106 0.000 1.991 147 K HA -0.223 4.097 4.320 0.001 0.000 0.212 147 K C 2.091 178.614 176.600 -0.129 0.000 1.049 147 K CA 1.799 58.077 56.287 -0.014 0.000 0.932 147 K CB -0.707 31.900 32.500 0.178 0.000 0.717 147 K HN 0.226 nan 8.250 nan 0.000 0.441 148 Y N 2.189 122.249 120.300 -0.400 0.000 2.081 148 Y HA -0.277 4.273 4.550 0.001 0.000 0.280 148 Y C 1.932 177.540 175.900 -0.485 0.000 1.163 148 Y CA 1.550 59.068 58.100 -0.970 0.000 1.135 148 Y CB -0.511 37.393 38.460 -0.926 0.000 0.970 148 Y HN -0.027 nan 8.280 nan 0.000 0.498 149 L N -0.763 120.257 121.223 -0.338 0.000 2.043 149 L HA -0.254 4.086 4.340 0.001 0.000 0.212 149 L C 2.471 179.124 176.870 -0.362 0.000 1.075 149 L CA 1.423 56.066 54.840 -0.328 0.000 0.752 149 L CB -0.801 41.192 42.059 -0.110 0.000 0.891 149 L HN 0.359 nan 8.230 nan 0.000 0.432 150 L N -0.222 120.824 121.223 -0.296 0.000 2.027 150 L HA -0.226 4.114 4.340 0.001 0.000 0.206 150 L C 2.570 179.278 176.870 -0.270 0.000 1.074 150 L CA 1.734 56.422 54.840 -0.254 0.000 0.745 150 L CB -0.698 41.246 42.059 -0.191 0.000 0.898 150 L HN 0.265 nan 8.230 nan 0.000 0.433 151 Q N -1.058 118.568 119.800 -0.290 0.000 2.084 151 Q HA -0.167 4.174 4.340 0.001 0.000 0.202 151 Q C 1.552 177.378 176.000 -0.290 0.000 0.978 151 Q CA 1.353 57.012 55.803 -0.240 0.000 0.844 151 Q CB 0.097 28.727 28.738 -0.179 0.000 0.898 151 Q HN 0.359 nan 8.270 nan 0.000 0.426 152 R N -0.010 120.204 120.500 -0.477 0.000 2.362 152 R HA 0.074 4.414 4.340 0.001 0.000 0.227 152 R C 1.888 177.930 176.300 -0.430 0.000 0.905 152 R CA 0.537 56.401 56.100 -0.393 0.000 1.067 152 R CB -0.077 29.866 30.300 -0.595 0.000 1.078 152 R HN 0.414 nan 8.270 nan 0.000 0.516 153 R N 0.851 121.099 120.500 -0.420 0.000 2.174 153 R HA -0.241 4.099 4.340 0.001 0.000 0.253 153 R C 1.772 177.837 176.300 -0.392 0.000 1.165 153 R CA 1.816 57.709 56.100 -0.345 0.000 0.984 153 R CB -0.648 29.473 30.300 -0.297 0.000 0.873 153 R HN 0.196 nan 8.270 nan 0.000 0.456 154 Q N 0.371 119.798 119.800 -0.621 0.000 2.364 154 Q HA -0.099 4.242 4.340 0.001 0.000 0.209 154 Q C 0.238 175.750 176.000 -0.814 0.000 0.977 154 Q CA 1.155 56.479 55.803 -0.799 0.000 0.885 154 Q CB 0.150 28.224 28.738 -1.107 0.000 0.941 154 Q HN 0.614 nan 8.270 nan 0.000 0.464 155 F N -0.163 119.722 119.950 -0.108 0.000 2.764 155 F HA 0.356 4.883 4.527 -0.001 0.000 0.310 155 F C -0.370 175.391 175.800 -0.066 0.000 1.124 155 F CA -0.453 57.502 58.000 -0.076 0.000 1.252 155 F CB 0.674 39.633 39.000 -0.068 0.000 1.010 155 F HN -0.154 nan 8.300 nan 0.000 0.518 156 L N 0.769 121.978 121.223 -0.023 0.000 2.365 156 L HA 0.502 4.842 4.340 0.001 0.000 0.273 156 L C 0.501 177.358 176.870 -0.023 0.000 1.000 156 L CA -0.951 53.885 54.840 -0.007 0.000 0.819 156 L CB 2.300 44.330 42.059 -0.049 0.000 1.284 156 L HN 0.118 nan 8.230 nan 0.000 0.418 157 T N -2.239 112.322 114.554 0.012 0.000 2.754 157 T HA 0.148 4.499 4.350 0.001 0.000 0.286 157 T C 0.971 175.671 174.700 0.000 0.000 0.997 157 T CA -0.613 61.492 62.100 0.008 0.000 0.982 157 T CB 0.762 69.650 68.868 0.033 0.000 1.027 157 T HN 0.511 nan 8.240 nan 0.000 0.529 158 N N 0.973 119.670 118.700 -0.006 0.000 2.084 158 N HA -0.110 4.630 4.740 0.001 0.000 0.190 158 N C 1.376 176.890 175.510 0.008 0.000 1.030 158 N CA 1.362 54.402 53.050 -0.017 0.000 0.849 158 N CB -0.554 37.920 38.487 -0.021 0.000 1.012 158 N HN 0.636 nan 8.380 nan 0.000 0.423 159 D N 1.245 121.675 120.400 0.050 0.000 2.144 159 D HA -0.096 4.544 4.640 0.001 0.000 0.199 159 D C 2.049 178.452 176.300 0.172 0.000 0.984 159 D CA 0.806 54.878 54.000 0.120 0.000 0.834 159 D CB -0.174 40.752 40.800 0.211 0.000 0.955 159 D HN 0.388 nan 8.370 nan 0.000 0.465 160 Q N 0.003 119.882 119.800 0.131 0.000 2.050 160 Q HA -0.095 4.245 4.340 0.001 0.000 0.202 160 Q C 2.476 178.555 176.000 0.132 0.000 0.980 160 Q CA 0.803 56.689 55.803 0.139 0.000 0.840 160 Q CB -0.079 28.721 28.738 0.102 0.000 0.898 160 Q HN 0.337 nan 8.270 nan 0.000 0.424 161 I N 0.493 121.115 120.570 0.087 0.000 2.208 161 I HA -0.333 3.838 4.170 0.001 0.000 0.245 161 I C 2.701 178.943 176.117 0.208 0.000 1.097 161 I CA 1.247 62.610 61.300 0.106 0.000 1.363 161 I CB -0.275 37.727 38.000 0.003 0.000 1.051 161 I HN 0.189 nan 8.210 nan 0.000 0.413 162 R N 0.491 121.046 120.500 0.091 0.000 2.075 162 R HA -0.201 4.139 4.340 0.001 0.000 0.230 162 R C 2.422 178.641 176.300 -0.136 0.000 1.140 162 R CA 2.010 58.095 56.100 -0.025 0.000 0.928 162 R CB -0.489 29.584 30.300 -0.379 0.000 0.834 162 R HN 0.272 nan 8.270 nan 0.000 0.429 163 Y N 0.408 120.755 120.300 0.078 0.000 2.243 163 Y HA -0.139 4.411 4.550 -0.000 0.000 0.293 163 Y C 2.200 178.108 175.900 0.014 0.000 1.124 163 Y CA 0.456 58.575 58.100 0.031 0.000 1.159 163 Y CB -0.346 38.131 38.460 0.028 0.000 1.008 163 Y HN 0.144 nan 8.280 nan 0.000 0.527 164 L N 2.224 123.561 121.223 0.190 0.000 1.997 164 L HA -0.220 4.121 4.340 0.001 0.000 0.227 164 L C -0.631 176.281 176.870 0.069 0.000 1.087 164 L CA 2.289 57.196 54.840 0.112 0.000 0.797 164 L CB -1.951 40.191 42.059 0.138 0.000 0.902 164 L HN 0.026 nan 8.230 nan 0.000 0.441 165 P HA -0.227 nan 4.420 nan 0.000 0.217 165 P C 1.241 178.469 177.300 -0.121 0.000 1.151 165 P CA 1.676 64.842 63.100 0.110 0.000 0.849 165 P CB -0.243 31.617 31.700 0.268 0.000 0.787 166 Q N -0.604 119.125 119.800 -0.118 0.000 2.172 166 Q HA -0.025 4.316 4.340 0.001 0.000 0.200 166 Q C 2.406 178.343 176.000 -0.104 0.000 0.964 166 Q CA 0.723 56.414 55.803 -0.187 0.000 0.855 166 Q CB -1.109 27.605 28.738 -0.040 0.000 0.918 166 Q HN 0.349 nan 8.270 nan 0.000 0.444 167 L N 0.561 121.756 121.223 -0.046 0.000 2.023 167 L HA -0.138 4.202 4.340 0.001 0.000 0.205 167 L C 2.555 179.381 176.870 -0.074 0.000 1.073 167 L CA 1.662 56.467 54.840 -0.058 0.000 0.745 167 L CB -0.386 41.540 42.059 -0.221 0.000 0.900 167 L HN 0.386 nan 8.230 nan 0.000 0.435 168 C N -0.402 118.801 119.300 -0.160 0.000 2.409 168 C HA -0.084 4.376 4.460 0.001 0.000 0.288 168 C C 2.478 177.186 174.990 -0.471 0.000 1.395 168 C CA 0.284 59.102 59.018 -0.333 0.000 1.792 168 C CB -1.676 26.035 27.740 -0.048 0.000 1.847 168 C HN 0.479 nan 8.230 nan 0.000 0.534 169 R N 0.282 120.605 120.500 -0.296 0.000 2.339 169 R HA -0.005 4.335 4.340 0.001 0.000 0.199 169 R C 1.761 177.940 176.300 -0.203 0.000 1.018 169 R CA 1.104 57.075 56.100 -0.215 0.000 1.036 169 R CB -0.451 29.556 30.300 -0.487 0.000 0.899 169 R HN 0.935 nan 8.270 nan 0.000 0.473 170 Y N -1.128 119.143 120.300 -0.049 0.000 2.384 170 Y HA -0.124 4.426 4.550 0.000 0.000 0.289 170 Y C 1.505 177.277 175.900 -0.214 0.000 1.152 170 Y CA 0.512 58.587 58.100 -0.041 0.000 1.258 170 Y CB -0.785 37.685 38.460 0.017 0.000 0.979 170 Y HN -0.035 nan 8.280 nan 0.000 0.549 171 L N 0.514 121.304 121.223 -0.723 0.000 2.261 171 L HA -0.175 4.165 4.340 0.001 0.000 0.216 171 L C 2.320 179.036 176.870 -0.257 0.000 1.114 171 L CA 1.427 55.773 54.840 -0.824 0.000 0.777 171 L CB -0.537 40.802 42.059 -1.199 0.000 0.910 171 L HN 0.328 nan 8.230 nan 0.000 0.440 172 E N -0.133 120.033 120.200 -0.057 0.000 2.204 172 E HA -0.177 4.173 4.350 0.001 0.000 0.195 172 E C 1.337 178.038 176.600 0.169 0.000 0.990 172 E CA 0.675 57.136 56.400 0.102 0.000 0.821 172 E CB 0.119 29.871 29.700 0.087 0.000 0.750 172 E HN 0.312 nan 8.360 nan 0.000 0.477 173 L N -0.536 120.810 121.223 0.205 0.000 2.645 173 L HA -0.006 4.335 4.340 0.001 0.000 0.234 173 L C 0.662 177.779 176.870 0.412 0.000 1.165 173 L CA 0.636 55.663 54.840 0.311 0.000 0.944 173 L CB -0.997 41.270 42.059 0.346 0.000 1.149 173 L HN 0.294 nan 8.230 nan 0.000 0.446 174 W N -1.388 119.863 121.300 -0.081 0.000 2.871 174 W HA 0.175 4.836 4.660 0.001 0.000 0.267 174 W C 2.289 178.673 176.519 -0.226 0.000 1.180 174 W CA -0.031 57.181 57.345 -0.222 0.000 1.463 174 W CB 0.049 29.145 29.460 -0.607 0.000 0.966 174 W HN 0.231 nan 8.180 nan 0.000 0.605 175 H N -1.429 117.836 119.070 0.325 0.000 2.874 175 H HA 0.295 4.851 4.556 0.000 0.000 0.264 175 H C 1.810 177.169 175.328 0.052 0.000 1.007 175 H CA 0.843 57.014 56.048 0.205 0.000 1.207 175 H CB 0.415 30.243 29.762 0.111 0.000 1.487 175 H HN 0.078 nan 8.280 nan 0.000 0.505 176 G N 1.398 110.299 108.800 0.167 0.000 2.179 176 G HA2 -0.258 3.703 3.960 0.001 0.000 0.257 176 G HA3 -0.258 3.703 3.960 0.001 0.000 0.257 176 G C -0.385 174.565 174.900 0.084 0.000 1.010 176 G CA 0.317 45.458 45.100 0.069 0.000 0.736 176 G HN 0.148 nan 8.290 nan 0.000 0.513 177 L N 0.049 121.355 121.223 0.137 0.000 2.409 177 L HA 0.564 4.904 4.340 0.001 0.000 0.262 177 L C 0.186 177.135 176.870 0.132 0.000 0.992 177 L CA -1.120 53.788 54.840 0.112 0.000 0.817 177 L CB 1.739 43.871 42.059 0.122 0.000 1.350 177 L HN 0.216 nan 8.230 nan 0.000 0.411 178 D N 1.026 121.491 120.400 0.107 0.000 2.361 178 D HA -0.078 4.562 4.640 0.001 0.000 0.239 178 D C 0.342 176.828 176.300 0.309 0.000 1.200 178 D CA -0.182 53.916 54.000 0.164 0.000 0.915 178 D CB 1.057 41.934 40.800 0.127 0.000 1.170 178 D HN 0.628 nan 8.370 nan 0.000 0.444 179 W N 2.878 124.233 121.300 0.093 0.000 3.204 179 W HA 0.147 4.808 4.660 0.000 0.000 0.249 179 W C 0.449 177.041 176.519 0.122 0.000 1.322 179 W CA -0.251 57.202 57.345 0.180 0.000 1.593 179 W CB -0.818 28.687 29.460 0.075 0.000 1.122 179 W HN 0.336 nan 8.180 nan 0.000 0.710 180 K N 0.311 120.836 120.400 0.210 0.000 2.374 180 K HA 0.243 4.563 4.320 0.001 0.000 0.202 180 K C 1.323 177.918 176.600 -0.009 0.000 1.040 180 K CA 0.045 56.315 56.287 -0.028 0.000 1.085 180 K CB 0.493 32.872 32.500 -0.201 0.000 0.873 180 K HN 0.182 nan 8.250 nan 0.000 0.539 181 L N 0.715 121.942 121.223 0.008 0.000 2.966 181 L HA 0.250 4.590 4.340 0.001 0.000 0.262 181 L C -0.067 176.759 176.870 -0.072 0.000 1.165 181 L CA -0.230 54.531 54.840 -0.131 0.000 0.978 181 L CB 0.406 42.309 42.059 -0.259 0.000 1.337 181 L HN 0.048 nan 8.230 nan 0.000 0.563 182 L N 0.058 121.323 121.223 0.070 0.000 2.334 182 L HA 0.390 4.730 4.340 0.001 0.000 0.277 182 L C 0.417 177.336 176.870 0.080 0.000 1.075 182 L CA 0.207 55.097 54.840 0.084 0.000 0.804 182 L CB 1.744 43.844 42.059 0.068 0.000 1.174 182 L HN -0.155 nan 8.230 nan 0.000 0.438 183 S N 3.178 118.898 115.700 0.033 0.000 2.505 183 S HA 0.453 4.923 4.470 0.001 0.000 0.276 183 S C 1.289 175.853 174.600 -0.060 0.000 1.274 183 S CA -0.003 58.202 58.200 0.008 0.000 1.053 183 S CB 0.910 64.103 63.200 -0.011 0.000 0.919 183 S HN 0.941 nan 8.310 nan 0.000 0.490 184 A N 5.552 128.386 122.820 0.023 0.000 1.902 184 A HA -0.014 4.306 4.320 0.001 0.000 0.217 184 A C 2.269 179.684 177.584 -0.282 0.000 1.181 184 A CA 2.062 54.146 52.037 0.079 0.000 0.623 184 A CB -1.436 17.784 19.000 0.366 0.000 0.818 184 A HN 1.057 nan 8.150 nan 0.000 0.443 185 K N -0.648 119.317 120.400 -0.725 0.000 2.442 185 K HA -0.155 4.166 4.320 0.001 0.000 0.199 185 K C 1.318 177.629 176.600 -0.482 0.000 1.044 185 K CA 2.054 57.647 56.287 -1.156 0.000 0.941 185 K CB -0.753 31.201 32.500 -0.910 0.000 0.759 185 K HN 0.637 nan 8.250 nan 0.000 0.472 186 D N -2.500 117.723 120.400 -0.295 0.000 2.469 186 D HA 0.090 4.730 4.640 0.001 0.000 0.213 186 D C 1.558 177.723 176.300 -0.225 0.000 1.135 186 D CA 0.483 54.391 54.000 -0.154 0.000 0.834 186 D CB 0.632 41.371 40.800 -0.101 0.000 1.009 186 D HN 0.312 nan 8.370 nan 0.000 0.507 187 T N -0.461 113.869 114.554 -0.373 0.000 2.622 187 T HA -0.177 4.173 4.350 0.001 0.000 0.266 187 T C 0.644 174.988 174.700 -0.594 0.000 1.047 187 T CA 1.139 62.845 62.100 -0.657 0.000 1.159 187 T CB -0.375 68.012 68.868 -0.801 0.000 0.863 187 T HN 0.202 nan 8.240 nan 0.000 0.422 188 Y N 2.724 122.827 120.300 -0.328 0.000 2.930 188 Y HA 0.310 4.860 4.550 0.001 0.000 0.386 188 Y C 0.416 176.244 175.900 -0.121 0.000 1.185 188 Y CA -1.791 56.132 58.100 -0.294 0.000 1.922 188 Y CB -1.328 37.032 38.460 -0.166 0.000 2.006 188 Y HN 0.214 nan 8.280 nan 0.000 0.431 189 F N -0.930 119.079 119.950 0.099 0.000 2.380 189 F HA 0.653 5.181 4.527 0.001 0.000 0.295 189 F C 0.836 176.703 175.800 0.112 0.000 1.292 189 F CA -1.676 56.388 58.000 0.106 0.000 1.248 189 F CB -0.059 39.004 39.000 0.105 0.000 1.338 189 F HN 0.065 nan 8.300 nan 0.000 0.524 190 G N -1.328 107.793 108.800 0.534 0.000 2.513 190 G HA2 0.419 4.379 3.960 0.001 0.000 0.317 190 G HA3 0.419 4.379 3.960 0.001 0.000 0.317 190 G C -2.026 173.116 174.900 0.403 0.000 1.277 190 G CA -0.765 44.566 45.100 0.385 0.000 0.955 190 G HN 0.848 nan 8.290 nan 0.000 0.484 191 H N 0.816 120.102 119.070 0.360 0.000 2.580 191 H HA 0.189 4.745 4.556 0.001 0.000 0.322 191 H C 0.106 175.517 175.328 0.139 0.000 1.082 191 H CA -0.192 55.989 56.048 0.222 0.000 1.383 191 H CB 1.695 31.576 29.762 0.198 0.000 1.450 191 H HN 0.340 nan 8.280 nan 0.000 0.505 192 Q N 3.176 123.110 119.800 0.222 0.000 3.006 192 Q HA 0.255 4.595 4.340 0.001 0.000 0.260 192 Q C 0.096 176.130 176.000 0.057 0.000 1.356 192 Q CA -0.350 55.524 55.803 0.117 0.000 1.070 192 Q CB 0.775 29.561 28.738 0.080 0.000 1.507 192 Q HN 0.958 nan 8.270 nan 0.000 0.568 193 G N 1.027 109.870 108.800 0.072 0.000 2.603 193 G HA2 -0.189 3.771 3.960 0.001 0.000 0.686 193 G HA3 -0.189 3.771 3.960 0.001 0.000 0.686 193 G C -0.738 174.173 174.900 0.017 0.000 1.286 193 G CA -1.132 43.988 45.100 0.035 0.000 0.871 193 G HN 0.486 nan 8.290 nan 0.000 0.568 194 R N -0.036 120.489 120.500 0.042 0.000 2.893 194 R HA 0.246 4.586 4.340 0.001 0.000 0.279 194 R C 0.560 176.836 176.300 -0.041 0.000 1.076 194 R CA -0.159 55.987 56.100 0.076 0.000 1.203 194 R CB 0.177 30.605 30.300 0.213 0.000 1.137 194 R HN 0.590 nan 8.270 nan 0.000 0.541 195 N N -0.555 118.096 118.700 -0.082 0.000 2.466 195 N HA 0.367 5.107 4.740 0.001 0.000 0.294 195 N C -1.288 173.981 175.510 -0.403 0.000 1.129 195 N CA -0.370 52.506 53.050 -0.291 0.000 0.931 195 N CB 2.083 40.349 38.487 -0.368 0.000 1.193 195 N HN 0.532 nan 8.380 nan 0.000 0.500 196 A N 1.734 124.242 122.820 -0.520 0.000 2.323 196 A HA 0.324 4.644 4.320 0.001 0.000 0.305 196 A C -0.864 176.679 177.584 -0.067 0.000 1.275 196 A CA -0.632 51.016 52.037 -0.649 0.000 0.804 196 A CB -0.068 18.214 19.000 -1.196 0.000 1.152 196 A HN 0.597 nan 8.150 nan 0.000 0.487 197 F N 3.786 123.746 119.950 0.017 0.000 2.506 197 F HA 0.395 4.922 4.527 0.001 0.000 0.369 197 F C 0.916 176.657 175.800 -0.098 0.000 1.114 197 F CA -0.347 57.623 58.000 -0.050 0.000 1.121 197 F CB 0.258 39.278 39.000 0.033 0.000 1.104 197 F HN 0.703 nan 8.300 nan 0.000 0.564 198 A N 7.774 130.174 122.820 -0.700 0.000 2.484 198 A HA 0.210 4.530 4.320 0.001 0.000 0.268 198 A C 0.065 177.312 177.584 -0.561 0.000 1.114 198 A CA -0.417 51.264 52.037 -0.594 0.000 0.780 198 A CB -0.402 17.954 19.000 -1.074 0.000 1.061 198 A HN 0.842 nan 8.150 nan 0.000 0.505 199 L N 2.903 123.986 121.223 -0.234 0.000 2.415 199 L HA 0.305 4.645 4.340 0.001 0.000 0.269 199 L C 1.081 177.850 176.870 -0.168 0.000 1.244 199 L CA 0.931 55.678 54.840 -0.156 0.000 1.113 199 L CB -1.310 40.728 42.059 -0.036 0.000 1.352 199 L HN 1.077 nan 8.230 nan 0.000 0.433 200 N N 1.106 119.679 118.700 -0.211 0.000 2.923 200 N HA -0.238 4.502 4.740 0.001 0.000 0.266 200 N C -0.093 175.339 175.510 -0.129 0.000 1.595 200 N CA 0.396 53.370 53.050 -0.127 0.000 1.455 200 N CB -1.958 nan 38.487 nan 0.000 0.816 200 N HN 0.494 nan 8.380 nan 0.000 0.485 201 Y N 0.043 120.238 120.300 -0.175 0.000 2.561 201 Y HA -0.031 4.519 4.550 0.000 0.000 0.291 201 Y C 2.298 178.167 175.900 -0.052 0.000 1.141 201 Y CA 1.684 59.700 58.100 -0.140 0.000 1.303 201 Y CB 0.567 38.921 38.460 -0.176 0.000 1.015 201 Y HN 0.901 nan 8.280 nan 0.000 0.547 202 D N -1.852 118.607 120.400 0.099 0.000 2.234 202 D HA -0.119 4.522 4.640 0.001 0.000 0.205 202 D C 1.687 178.015 176.300 0.045 0.000 0.962 202 D CA 1.128 55.177 54.000 0.081 0.000 0.855 202 D CB -0.385 40.446 40.800 0.053 0.000 0.951 202 D HN 0.191 nan 8.370 nan 0.000 0.500 203 S N 0.192 115.895 115.700 0.004 0.000 2.419 203 S HA -0.062 4.408 4.470 0.001 0.000 0.233 203 S C 2.210 176.813 174.600 0.005 0.000 1.016 203 S CA 0.516 58.707 58.200 -0.015 0.000 0.974 203 S CB -0.055 63.115 63.200 -0.051 0.000 0.786 203 S HN 0.182 nan 8.310 nan 0.000 0.492 204 V N 1.213 121.141 119.914 0.023 0.000 2.346 204 V HA -0.068 4.052 4.120 0.001 0.000 0.244 204 V C 2.313 178.485 176.094 0.129 0.000 1.037 204 V CA 1.063 63.402 62.300 0.065 0.000 1.029 204 V CB -0.547 31.307 31.823 0.051 0.000 0.663 204 V HN 0.335 nan 8.190 nan 0.000 0.454 205 V N 0.144 120.147 119.914 0.149 0.000 2.332 205 V HA -0.344 3.776 4.120 0.001 0.000 0.248 205 V C 3.021 179.178 176.094 0.105 0.000 1.055 205 V CA 2.737 65.128 62.300 0.153 0.000 1.038 205 V CB -1.330 30.575 31.823 0.138 0.000 0.651 205 V HN 0.716 nan 8.190 nan 0.000 0.450 206 Q N -0.037 119.801 119.800 0.063 0.000 2.079 206 Q HA -0.241 4.100 4.340 0.001 0.000 0.200 206 Q C 2.337 178.342 176.000 0.010 0.000 0.974 206 Q CA 2.112 57.927 55.803 0.020 0.000 0.840 206 Q CB -0.723 28.017 28.738 0.003 0.000 0.898 206 Q HN 0.686 nan 8.270 nan 0.000 0.430 207 R N -0.267 120.253 120.500 0.032 0.000 2.070 207 R HA -0.060 4.281 4.340 0.001 0.000 0.233 207 R C 2.398 178.734 176.300 0.061 0.000 1.137 207 R CA 1.702 57.822 56.100 0.033 0.000 0.945 207 R CB -0.491 29.836 30.300 0.045 0.000 0.845 207 R HN 0.601 nan 8.270 nan 0.000 0.430 208 I N 0.773 121.418 120.570 0.126 0.000 2.142 208 I HA -0.267 3.903 4.170 0.001 0.000 0.240 208 I C 2.678 178.872 176.117 0.129 0.000 1.078 208 I CA 1.329 62.743 61.300 0.189 0.000 1.343 208 I CB -0.661 37.504 38.000 0.274 0.000 1.046 208 I HN 0.284 nan 8.210 nan 0.000 0.405 209 A N 0.430 123.293 122.820 0.072 0.000 1.915 209 A HA -0.331 3.989 4.320 0.001 0.000 0.220 209 A C 2.220 179.529 177.584 -0.460 0.000 1.198 209 A CA 2.221 54.194 52.037 -0.107 0.000 0.647 209 A CB -0.874 18.096 19.000 -0.049 0.000 0.825 209 A HN 0.566 nan 8.150 nan 0.000 0.456 210 Q N -0.170 119.476 119.800 -0.257 0.000 2.472 210 Q HA -0.026 4.314 4.340 0.001 0.000 0.208 210 Q C 1.979 177.834 176.000 -0.242 0.000 0.958 210 Q CA 0.889 56.526 55.803 -0.276 0.000 0.932 210 Q CB -0.062 28.589 28.738 -0.146 0.000 1.007 210 Q HN 0.882 nan 8.270 nan 0.000 0.508 211 S N -0.094 115.521 115.700 -0.141 0.000 2.561 211 S HA 0.005 4.475 4.470 0.001 0.000 0.225 211 S C 0.313 174.955 174.600 0.070 0.000 0.977 211 S CA -0.240 57.971 58.200 0.020 0.000 0.926 211 S CB -0.257 63.029 63.200 0.143 0.000 0.769 211 S HN 0.342 nan 8.310 nan 0.000 0.533 212 F N -0.076 119.778 119.950 -0.159 0.000 2.593 212 F HA 0.783 5.310 4.527 0.000 0.000 0.320 212 F C -3.060 172.342 175.800 -0.663 0.000 1.060 212 F CA -3.392 54.285 58.000 -0.538 0.000 0.940 212 F CB 0.255 39.139 39.000 -0.193 0.000 1.268 212 F HN -0.281 nan 8.300 nan 0.000 0.475 213 P HA 0.052 nan 4.420 nan 0.000 0.258 213 P C 0.435 177.519 177.300 -0.361 0.000 1.187 213 P CA 0.808 63.475 63.100 -0.721 0.000 0.767 213 P CB 0.782 31.867 31.700 -1.026 0.000 0.770 214 Q N 4.658 124.285 119.800 -0.289 0.000 2.173 214 Q HA -0.259 4.082 4.340 0.001 0.000 0.208 214 Q C 1.571 177.585 176.000 0.024 0.000 0.989 214 Q CA 2.502 58.215 55.803 -0.151 0.000 0.872 214 Q CB -1.808 26.846 28.738 -0.140 0.000 0.909 214 Q HN 0.779 nan 8.270 nan 0.000 0.420 215 N N -1.899 116.809 118.700 0.013 0.000 2.617 215 N HA -0.039 4.701 4.740 0.001 0.000 0.198 215 N C 0.721 176.410 175.510 0.299 0.000 1.317 215 N CA 0.803 53.921 53.050 0.114 0.000 0.892 215 N CB -0.156 38.375 38.487 0.072 0.000 1.041 215 N HN 0.618 nan 8.380 nan 0.000 0.450 216 W N -0.306 121.060 121.300 0.111 0.000 2.762 216 W HA 0.418 5.079 4.660 0.000 0.000 0.265 216 W C 0.181 176.756 176.519 0.094 0.000 1.263 216 W CA -0.629 56.784 57.345 0.113 0.000 1.411 216 W CB -0.320 29.251 29.460 0.184 0.000 1.065 216 W HN 0.087 nan 8.180 nan 0.000 0.609 217 L N 1.783 123.226 121.223 0.368 0.000 2.331 217 L HA 0.427 4.767 4.340 0.001 0.000 0.278 217 L C 0.457 177.394 176.870 0.112 0.000 1.106 217 L CA 0.318 55.294 54.840 0.225 0.000 0.824 217 L CB 0.702 42.905 42.059 0.240 0.000 1.142 217 L HN -0.073 nan 8.230 nan 0.000 0.443 218 K N 6.577 127.001 120.400 0.039 0.000 2.682 218 K HA 0.467 4.787 4.320 0.001 0.000 0.189 218 K C -0.566 176.037 176.600 0.004 0.000 1.062 218 K CA -0.350 55.944 56.287 0.012 0.000 0.997 218 K CB -0.555 31.908 32.500 -0.062 0.000 1.405 218 K HN 0.642 nan 8.250 nan 0.000 0.588 219 L N 0.701 121.943 121.223 0.031 0.000 2.483 219 L HA 0.140 4.480 4.340 0.001 0.000 0.275 219 L C 0.621 177.505 176.870 0.023 0.000 1.220 219 L CA 0.004 54.860 54.840 0.027 0.000 0.833 219 L CB 0.851 42.935 42.059 0.042 0.000 1.102 219 L HN 0.790 nan 8.230 nan 0.000 0.490 220 S N -0.173 115.537 115.700 0.017 0.000 3.867 220 S HA -0.178 4.293 4.470 0.001 0.000 0.334 220 S C -0.246 174.360 174.600 0.011 0.000 1.069 220 S CA 0.234 58.450 58.200 0.025 0.000 0.977 220 S CB -1.227 61.998 63.200 0.042 0.000 0.889 220 S HN 0.714 nan 8.310 nan 0.000 0.484 221 c N 2.345 120.928 118.600 -0.028 0.000 2.317 221 c HA 0.374 4.944 4.570 0.001 0.000 0.306 221 c C 0.622 174.663 174.090 -0.081 0.000 1.087 221 c CA -0.539 55.768 56.329 -0.036 0.000 1.529 221 c CB -0.140 42.329 42.510 -0.069 0.000 1.880 221 c HN 0.637 nan 8.230 nan 0.000 0.417 222 E N 3.855 124.020 120.200 -0.058 0.000 1.814 222 E HA 0.178 4.528 4.350 0.001 0.000 0.264 222 E C -0.172 176.384 176.600 -0.072 0.000 1.179 222 E CA -0.137 56.206 56.400 -0.095 0.000 0.972 222 E CB 0.471 30.160 29.700 -0.017 0.000 1.077 222 E HN 0.609 nan 8.360 nan 0.000 0.417 223 V N 5.976 125.829 119.914 -0.102 0.000 2.486 223 V HA -0.144 3.977 4.120 0.001 0.000 0.290 223 V C 1.163 177.197 176.094 -0.100 0.000 0.991 223 V CA 1.032 63.275 62.300 -0.096 0.000 1.142 223 V CB -0.139 31.610 31.823 -0.123 0.000 0.926 223 V HN 0.623 nan 8.190 nan 0.000 0.472 224 K N 2.546 122.896 120.400 -0.082 0.000 2.455 224 K HA 0.383 4.704 4.320 0.001 0.000 0.206 224 K C 0.065 176.592 176.600 -0.122 0.000 1.027 224 K CA 0.029 56.267 56.287 -0.082 0.000 1.113 224 K CB 0.667 33.146 32.500 -0.034 0.000 0.850 224 K HN 0.643 nan 8.250 nan 0.000 0.503 225 S N 0.228 115.823 115.700 -0.175 0.000 2.583 225 S HA 0.413 4.883 4.470 0.001 0.000 0.294 225 S C -1.019 173.435 174.600 -0.243 0.000 1.121 225 S CA -0.958 57.115 58.200 -0.211 0.000 0.910 225 S CB 0.519 63.655 63.200 -0.106 0.000 1.102 225 S HN 0.217 nan 8.310 nan 0.000 0.451 226 I N 2.733 123.086 120.570 -0.363 0.000 2.418 226 I HA 0.542 4.713 4.170 0.001 0.000 0.287 226 I C -0.547 175.538 176.117 -0.053 0.000 1.008 226 I CA -0.353 60.808 61.300 -0.231 0.000 1.104 226 I CB 2.321 40.130 38.000 -0.318 0.000 1.264 226 I HN 0.750 nan 8.210 nan 0.000 0.438 227 T N 4.356 118.905 114.554 -0.008 0.000 2.893 227 T HA 0.630 4.980 4.350 0.001 0.000 0.293 227 T C -0.059 174.656 174.700 0.025 0.000 1.027 227 T CA -0.678 61.438 62.100 0.027 0.000 0.988 227 T CB 1.704 70.577 68.868 0.008 0.000 1.043 227 T HN 0.658 nan 8.240 nan 0.000 0.461 228 R N 1.173 121.694 120.500 0.035 0.000 2.272 228 R HA 0.767 5.107 4.340 0.001 0.000 0.323 228 R C 0.078 176.379 176.300 0.002 0.000 1.002 228 R CA -0.471 55.636 56.100 0.012 0.000 0.900 228 R CB -0.807 nan 30.300 nan 0.000 1.151 228 R HN 1.003 nan 8.270 nan 0.000 0.507 229 E N 3.722 123.916 120.200 -0.009 0.000 2.415 229 E HA 0.218 4.569 4.350 0.001 0.000 0.262 229 E C -1.139 175.452 176.600 -0.015 0.000 1.038 229 E CA -0.701 55.692 56.400 -0.011 0.000 0.921 229 E CB -0.006 nan 29.700 nan 0.000 0.950 229 E HN 0.596 nan 8.360 nan 0.000 0.438 230 P HA -0.182 nan 4.420 nan 0.000 0.215 230 P C 1.116 178.404 177.300 -0.021 0.000 1.157 230 P CA 1.907 65.000 63.100 -0.013 0.000 0.874 230 P CB -0.208 31.487 31.700 -0.008 0.000 0.790 231 S N 0.016 115.703 115.700 -0.022 0.000 3.844 231 S HA 0.335 4.805 4.470 0.001 0.000 0.193 231 S C 1.131 175.706 174.600 -0.040 0.000 1.255 231 S CA 0.892 59.075 58.200 -0.027 0.000 1.028 231 S CB -1.778 61.408 63.200 -0.023 0.000 1.436 231 S HN 0.389 nan 8.310 nan 0.000 0.442 232 K N -1.666 118.705 120.400 -0.050 0.000 2.884 232 K HA -0.196 4.125 4.320 0.001 0.000 0.247 232 K C 0.146 176.687 176.600 -0.098 0.000 0.951 232 K CA 1.839 58.079 56.287 -0.078 0.000 0.706 232 K CB -2.844 nan 32.500 nan 0.000 1.240 232 K HN 2.031 nan 8.250 nan 0.000 0.484 233 N N -0.765 117.891 118.700 -0.074 0.000 2.314 233 N HA 0.708 5.448 4.740 0.001 0.000 0.304 233 N C -0.288 175.185 175.510 -0.062 0.000 1.073 233 N CA -0.033 52.974 53.050 -0.073 0.000 0.822 233 N CB 2.201 40.660 38.487 -0.048 0.000 1.280 233 N HN 0.722 nan 8.380 nan 0.000 0.489 234 V N 1.340 121.214 119.914 -0.066 0.000 2.347 234 V HA 0.612 4.733 4.120 0.001 0.000 0.280 234 V C 0.130 176.208 176.094 -0.026 0.000 1.021 234 V CA -0.510 61.763 62.300 -0.046 0.000 0.847 234 V CB 0.930 32.718 31.823 -0.057 0.000 0.990 234 V HN 0.840 nan 8.190 nan 0.000 0.444 235 T N 4.811 119.357 114.554 -0.014 0.000 2.812 235 T HA 0.656 5.006 4.350 0.001 0.000 0.282 235 T C -0.349 174.351 174.700 -0.001 0.000 0.990 235 T CA -0.420 61.680 62.100 0.001 0.000 0.960 235 T CB 1.606 70.472 68.868 -0.003 0.000 0.948 235 T HN 0.689 nan 8.240 nan 0.000 0.438 236 V N 1.515 121.440 119.914 0.019 0.000 2.914 236 V HA 0.828 4.948 4.120 0.001 0.000 0.314 236 V C -0.927 175.201 176.094 0.057 0.000 1.084 236 V CA -1.097 61.203 62.300 -0.001 0.000 0.963 236 V CB 2.203 34.001 31.823 -0.043 0.000 1.025 236 V HN 0.687 nan 8.190 nan 0.000 0.432 237 N N 0.975 119.687 118.700 0.020 0.000 2.258 237 N HA 0.640 5.381 4.740 0.001 0.000 0.299 237 N C -0.970 174.557 175.510 0.029 0.000 1.047 237 N CA -0.220 52.859 53.050 0.048 0.000 0.814 237 N CB 1.721 40.215 38.487 0.010 0.000 1.413 237 N HN 0.952 nan 8.380 nan 0.000 0.478 238 c N 1.195 119.839 118.600 0.072 0.000 2.401 238 c HA 0.189 4.760 4.570 0.001 0.000 0.365 238 c C 2.198 176.304 174.090 0.027 0.000 1.250 238 c CA -0.415 55.937 56.329 0.037 0.000 2.131 238 c CB 0.843 43.393 42.510 0.067 0.000 2.445 238 c HN 0.907 nan 8.230 nan 0.000 0.550 239 E N 2.917 123.123 120.200 0.011 0.000 2.239 239 E HA -0.338 4.012 4.350 0.001 0.000 0.240 239 E C 1.418 178.030 176.600 0.020 0.000 1.079 239 E CA 3.015 59.424 56.400 0.016 0.000 0.991 239 E CB -0.417 29.299 29.700 0.026 0.000 0.863 239 E HN 0.899 nan 8.360 nan 0.000 0.491 240 D N -2.050 118.367 120.400 0.027 0.000 2.106 240 D HA -0.044 4.596 4.640 0.001 0.000 0.191 240 D C 1.645 177.955 176.300 0.017 0.000 0.997 240 D CA 2.475 56.489 54.000 0.024 0.000 0.834 240 D CB -0.543 40.276 40.800 0.030 0.000 0.956 240 D HN 0.452 nan 8.370 nan 0.000 0.448 241 G N -1.387 107.426 108.800 0.021 0.000 4.371 241 G HA2 -0.031 3.929 3.960 0.001 0.000 0.160 241 G HA3 -0.031 3.929 3.960 0.001 0.000 0.160 241 G C -0.185 174.713 174.900 -0.003 0.000 1.271 241 G CA 0.072 45.174 45.100 0.004 0.000 0.982 241 G HN 0.463 nan 8.290 nan 0.000 0.318 242 T N 1.859 116.408 114.554 -0.010 0.000 2.308 242 T HA 0.229 4.579 4.350 0.001 0.000 0.204 242 T C 0.345 174.977 174.700 -0.114 0.000 1.089 242 T CA 0.339 62.382 62.100 -0.095 0.000 1.419 242 T CB 0.331 69.211 68.868 0.019 0.000 1.041 242 T HN 0.635 nan 8.240 nan 0.000 0.458 243 V N 4.354 124.113 119.914 -0.257 0.000 2.617 243 V HA 0.605 4.726 4.120 0.001 0.000 0.298 243 V C -0.338 175.549 176.094 -0.345 0.000 1.048 243 V CA -0.760 61.454 62.300 -0.143 0.000 0.964 243 V CB 0.754 32.518 31.823 -0.097 0.000 1.004 243 V HN 0.822 nan 8.190 nan 0.000 0.466 244 Y N 2.076 122.352 120.300 -0.040 0.000 2.609 244 Y HA 0.624 5.174 4.550 0.001 0.000 0.342 244 Y C -0.031 175.840 175.900 -0.049 0.000 1.058 244 Y CA -1.329 56.745 58.100 -0.043 0.000 1.055 244 Y CB 1.918 40.347 38.460 -0.051 0.000 1.292 244 Y HN 0.735 nan 8.280 nan 0.000 0.476 245 N N 0.863 119.633 118.700 0.117 0.000 2.235 245 N HA 0.847 5.587 4.740 0.001 0.000 0.293 245 N C -1.686 173.832 175.510 0.013 0.000 1.083 245 N CA -0.673 52.400 53.050 0.037 0.000 0.801 245 N CB 2.281 40.772 38.487 0.007 0.000 1.559 245 N HN 0.888 nan 8.380 nan 0.000 0.472 246 A N 0.523 123.331 122.820 -0.019 0.000 2.602 246 A HA 0.518 4.839 4.320 0.001 0.000 0.290 246 A C -0.389 177.156 177.584 -0.064 0.000 1.114 246 A CA -0.579 51.436 52.037 -0.037 0.000 0.683 246 A CB 0.997 19.968 19.000 -0.049 0.000 1.281 246 A HN 0.551 nan 8.150 nan 0.000 0.416 247 D N -0.652 119.713 120.400 -0.058 0.000 2.103 247 D HA 0.089 4.729 4.640 0.001 0.000 0.199 247 D C -0.293 175.792 176.300 -0.359 0.000 0.978 247 D CA 2.190 56.084 54.000 -0.177 0.000 0.829 247 D CB -0.059 40.707 40.800 -0.056 0.000 0.981 247 D HN 0.493 nan 8.370 nan 0.000 0.464 248 Y N -1.374 118.881 120.300 -0.076 0.000 2.602 248 Y HA 0.514 5.064 4.550 0.001 0.000 0.342 248 Y C -0.379 175.455 175.900 -0.110 0.000 1.029 248 Y CA -1.182 56.867 58.100 -0.086 0.000 1.080 248 Y CB 2.339 40.746 38.460 -0.088 0.000 1.284 248 Y HN -0.385 nan 8.280 nan 0.000 0.485 249 V N 3.956 123.896 119.914 0.044 0.000 2.509 249 V HA 0.455 4.576 4.120 0.001 0.000 0.289 249 V C -1.237 174.792 176.094 -0.108 0.000 1.026 249 V CA -0.589 61.678 62.300 -0.055 0.000 0.872 249 V CB 0.668 32.449 31.823 -0.069 0.000 1.017 249 V HN 0.674 nan 8.190 nan 0.000 0.436 250 I N 7.815 128.312 120.570 -0.122 0.000 2.294 250 I HA 0.337 4.508 4.170 0.001 0.000 0.295 250 I C 0.081 176.112 176.117 -0.142 0.000 1.098 250 I CA 0.029 61.244 61.300 -0.142 0.000 1.277 250 I CB 0.813 38.738 38.000 -0.125 0.000 1.434 250 I HN 0.458 nan 8.210 nan 0.000 0.498 251 I N 6.297 126.742 120.570 -0.209 0.000 2.294 251 I HA 0.033 4.203 4.170 0.001 0.000 0.295 251 I C 1.380 177.527 176.117 0.050 0.000 1.098 251 I CA 0.060 61.292 61.300 -0.113 0.000 1.277 251 I CB 0.613 38.481 38.000 -0.220 0.000 1.434 251 I HN 0.604 nan 8.210 nan 0.000 0.498 252 T N 2.618 117.214 114.554 0.071 0.000 3.186 252 T HA 0.143 4.493 4.350 0.001 0.000 0.257 252 T C 0.473 175.280 174.700 0.179 0.000 1.029 252 T CA -0.441 61.744 62.100 0.142 0.000 0.916 252 T CB -0.429 68.485 68.868 0.077 0.000 1.041 252 T HN 0.346 nan 8.240 nan 0.000 0.562 253 V N 0.798 120.818 119.914 0.176 0.000 2.763 253 V HA 0.420 4.540 4.120 0.001 0.000 0.306 253 V C -2.046 174.122 176.094 0.123 0.000 1.059 253 V CA -2.055 60.325 62.300 0.134 0.000 1.138 253 V CB 0.005 31.905 31.823 0.129 0.000 0.940 253 V HN 0.194 nan 8.190 nan 0.000 0.489 254 P HA -0.012 nan 4.420 nan 0.000 0.270 254 P C 0.530 177.660 177.300 -0.283 0.000 1.227 254 P CA 0.101 63.083 63.100 -0.196 0.000 0.788 254 P CB 0.753 32.406 31.700 -0.080 0.000 0.926 255 Q N 1.174 120.611 119.800 -0.605 0.000 2.002 255 Q HA -0.201 4.140 4.340 0.001 0.000 0.204 255 Q C 2.231 178.206 176.000 -0.043 0.000 0.988 255 Q CA 2.447 58.119 55.803 -0.218 0.000 0.843 255 Q CB -0.682 27.995 28.738 -0.101 0.000 0.908 255 Q HN 0.463 nan 8.270 nan 0.000 0.420 256 S N -0.913 114.749 115.700 -0.063 0.000 2.399 256 S HA -0.198 4.272 4.470 0.001 0.000 0.235 256 S C 1.833 176.398 174.600 -0.058 0.000 1.063 256 S CA 1.694 59.863 58.200 -0.052 0.000 1.070 256 S CB -0.327 62.865 63.200 -0.014 0.000 0.904 256 S HN 0.380 nan 8.310 nan 0.000 0.456 257 V N 0.981 120.888 119.914 -0.011 0.000 2.346 257 V HA -0.030 4.091 4.120 0.001 0.000 0.244 257 V C 2.260 178.362 176.094 0.014 0.000 1.037 257 V CA 1.454 63.771 62.300 0.028 0.000 1.029 257 V CB -0.628 31.247 31.823 0.086 0.000 0.663 257 V HN 0.417 nan 8.190 nan 0.000 0.454 258 L N 1.163 122.416 121.223 0.050 0.000 2.265 258 L HA -0.122 4.218 4.340 0.001 0.000 0.215 258 L C 1.965 178.723 176.870 -0.186 0.000 1.117 258 L CA 1.772 56.683 54.840 0.119 0.000 0.782 258 L CB -1.063 41.173 42.059 0.295 0.000 0.914 258 L HN 0.438 nan 8.230 nan 0.000 0.441 259 N N -1.264 117.139 118.700 -0.496 0.000 2.494 259 N HA -0.082 4.658 4.740 0.001 0.000 0.182 259 N C 1.452 176.676 175.510 -0.477 0.000 1.076 259 N CA 0.652 53.072 53.050 -1.050 0.000 0.908 259 N CB -0.043 37.902 38.487 -0.904 0.000 0.967 259 N HN 0.415 nan 8.380 nan 0.000 0.449 260 L N -0.778 120.316 121.223 -0.216 0.000 2.509 260 L HA 0.150 4.491 4.340 0.001 0.000 0.222 260 L C 1.302 178.152 176.870 -0.032 0.000 1.123 260 L CA 0.188 54.972 54.840 -0.094 0.000 0.856 260 L CB -0.050 41.991 42.059 -0.030 0.000 0.985 260 L HN 0.093 nan 8.230 nan 0.000 0.456 261 S N 0.169 115.867 115.700 -0.003 0.000 2.603 261 S HA -0.032 4.438 4.470 0.001 0.000 0.229 261 S C 1.106 175.755 174.600 0.083 0.000 0.972 261 S CA 0.595 58.869 58.200 0.124 0.000 0.935 261 S CB -0.159 63.232 63.200 0.318 0.000 0.769 261 S HN 0.379 nan 8.310 nan 0.000 0.536 262 V N -2.253 117.660 119.914 -0.003 0.000 2.727 262 V HA 0.763 4.883 4.120 0.001 0.000 0.336 262 V C -0.299 175.797 176.094 0.003 0.000 1.228 262 V CA -0.171 62.138 62.300 0.014 0.000 1.270 262 V CB -0.568 31.262 31.823 0.012 0.000 1.486 262 V HN 0.269 nan 8.190 nan 0.000 0.638 263 Q N -0.270 119.536 119.800 0.011 0.000 2.687 263 Q HA 0.969 5.309 4.340 0.001 0.000 0.305 263 Q C -2.434 173.577 176.000 0.018 0.000 1.006 263 Q CA -0.602 55.206 55.803 0.009 0.000 0.763 263 Q CB 0.505 nan 28.738 nan 0.000 1.506 263 Q HN 0.696 nan 8.270 nan 0.000 0.459 264 P HA 0.705 nan 4.420 nan 0.000 0.297 264 P C 0.362 177.672 177.300 0.016 0.000 1.307 264 P CA 1.345 64.456 63.100 0.017 0.000 0.773 264 P CB 0.130 nan 31.700 nan 0.000 1.265 265 E N -2.722 117.487 120.200 0.015 0.000 2.228 265 E HA -0.018 4.333 4.350 0.001 0.000 0.213 265 E C 0.493 177.102 176.600 0.015 0.000 1.282 265 E CA 1.538 57.946 56.400 0.014 0.000 0.707 265 E CB -2.776 nan 29.700 nan 0.000 1.150 265 E HN 1.374 nan 8.360 nan 0.000 0.362 266 K N 1.562 121.973 120.400 0.018 0.000 2.024 266 K HA 0.216 4.536 4.320 0.001 0.000 0.210 266 K C 0.889 177.498 176.600 0.016 0.000 1.181 266 K CA 0.825 57.124 56.287 0.019 0.000 1.234 266 K CB -1.012 nan 32.500 nan 0.000 1.179 266 K HN 1.147 nan 8.250 nan 0.000 0.230 267 N N -0.338 118.373 118.700 0.017 0.000 2.072 267 N HA -0.025 4.716 4.740 0.001 0.000 0.246 267 N C 0.267 175.793 175.510 0.026 0.000 1.215 267 N CA -0.310 52.751 53.050 0.019 0.000 0.799 267 N CB -0.353 38.144 38.487 0.016 0.000 1.407 267 N HN 0.366 nan 8.380 nan 0.000 0.489 268 L N 2.738 123.976 121.223 0.024 0.000 2.972 268 L HA -0.155 4.185 4.340 0.001 0.000 0.312 268 L C 0.924 177.824 176.870 0.049 0.000 1.169 268 L CA 0.133 54.990 54.840 0.028 0.000 0.873 268 L CB -0.158 41.914 42.059 0.022 0.000 1.237 268 L HN 0.279 nan 8.230 nan 0.000 0.510 269 R N 3.349 123.883 120.500 0.056 0.000 2.547 269 R HA -0.019 4.321 4.340 0.001 0.000 0.269 269 R C 1.341 177.749 176.300 0.181 0.000 0.968 269 R CA 1.358 57.525 56.100 0.111 0.000 1.101 269 R CB -0.137 30.197 30.300 0.057 0.000 0.898 269 R HN 0.827 nan 8.270 nan 0.000 0.416 270 G N 3.113 112.071 108.800 0.264 0.000 2.302 270 G HA2 -0.386 3.574 3.960 0.001 0.000 0.263 270 G HA3 -0.386 3.574 3.960 0.001 0.000 0.263 270 G C 0.185 175.139 174.900 0.090 0.000 0.995 270 G CA 0.579 45.806 45.100 0.212 0.000 0.622 270 G HN 0.730 nan 8.290 nan 0.000 0.538 271 R N 1.436 121.981 120.500 0.074 0.000 2.446 271 R HA 0.280 4.620 4.340 0.001 0.000 0.325 271 R C 0.266 176.568 176.300 0.004 0.000 0.997 271 R CA -0.021 56.106 56.100 0.045 0.000 1.010 271 R CB -0.596 29.727 30.300 0.038 0.000 0.946 271 R HN 0.458 nan 8.270 nan 0.000 0.422 272 I N 3.540 124.104 120.570 -0.011 0.000 2.365 272 I HA 0.189 4.359 4.170 0.001 0.000 0.291 272 I C 0.752 176.748 176.117 -0.202 0.000 1.004 272 I CA -0.188 61.002 61.300 -0.184 0.000 1.311 272 I CB 1.261 39.058 38.000 -0.340 0.000 1.401 272 I HN 0.404 nan 8.210 nan 0.000 0.491 273 E N 6.696 126.742 120.200 -0.257 0.000 2.129 273 E HA 0.370 4.720 4.350 0.001 0.000 0.268 273 E C -1.453 175.046 176.600 -0.168 0.000 0.900 273 E CA -0.634 55.715 56.400 -0.086 0.000 0.755 273 E CB 1.042 30.735 29.700 -0.012 0.000 1.117 273 E HN 0.294 nan 8.360 nan 0.000 0.410 274 F N 2.108 122.092 119.950 0.057 0.000 2.378 274 F HA 0.388 4.915 4.527 0.001 0.000 0.325 274 F C 0.443 176.270 175.800 0.044 0.000 1.097 274 F CA -0.677 57.357 58.000 0.056 0.000 1.079 274 F CB 0.989 40.041 39.000 0.087 0.000 1.240 274 F HN 0.298 nan 8.300 nan 0.000 0.519 275 Q N 2.897 122.828 119.800 0.219 0.000 2.275 275 Q HA 0.374 4.715 4.340 0.001 0.000 0.258 275 Q C -2.648 173.414 176.000 0.104 0.000 0.960 275 Q CA -2.057 53.824 55.803 0.129 0.000 0.801 275 Q CB 1.823 30.606 28.738 0.076 0.000 1.302 275 Q HN 0.263 nan 8.270 nan 0.000 0.433 276 P HA 0.258 nan 4.420 nan 0.000 0.273 276 P C -2.464 174.909 177.300 0.121 0.000 1.250 276 P CA -0.959 62.192 63.100 0.086 0.000 0.793 276 P CB 0.006 31.740 31.700 0.056 0.000 1.011 277 P HA 0.040 nan 4.420 nan 0.000 0.272 277 P C -0.020 177.309 177.300 0.049 0.000 1.248 277 P CA 0.019 63.189 63.100 0.117 0.000 0.799 277 P CB 0.439 32.192 31.700 0.089 0.000 0.997 278 L N 0.573 121.788 121.223 -0.012 0.000 2.433 278 L HA 0.077 4.417 4.340 0.001 0.000 0.275 278 L C 1.422 178.264 176.870 -0.046 0.000 1.128 278 L CA -0.352 54.428 54.840 -0.101 0.000 0.875 278 L CB -0.436 41.516 42.059 -0.178 0.000 1.171 278 L HN 0.407 nan 8.230 nan 0.000 0.463 279 K N 4.781 125.156 120.400 -0.042 0.000 2.586 279 K HA -0.053 4.268 4.320 0.001 0.000 0.280 279 K C -1.674 174.900 176.600 -0.043 0.000 0.972 279 K CA -0.928 55.341 56.287 -0.031 0.000 1.040 279 K CB -0.081 32.401 32.500 -0.030 0.000 0.870 279 K HN 0.332 nan 8.250 nan 0.000 0.497 280 P HA -0.275 nan 4.420 nan 0.000 0.218 280 P C 1.483 178.750 177.300 -0.055 0.000 1.152 280 P CA 1.176 64.259 63.100 -0.028 0.000 0.857 280 P CB -0.005 31.685 31.700 -0.016 0.000 0.787 281 V N -0.572 119.300 119.914 -0.069 0.000 2.594 281 V HA -0.174 3.946 4.120 0.001 0.000 0.253 281 V C 2.262 178.264 176.094 -0.154 0.000 1.069 281 V CA 1.434 63.678 62.300 -0.094 0.000 1.082 281 V CB -0.873 30.899 31.823 -0.085 0.000 0.680 281 V HN -0.084 nan 8.190 nan 0.000 0.469 282 I N -0.697 119.769 120.570 -0.173 0.000 2.429 282 I HA -0.098 4.072 4.170 0.001 0.000 0.247 282 I C 2.488 178.436 176.117 -0.281 0.000 1.099 282 I CA 1.201 62.330 61.300 -0.285 0.000 1.422 282 I CB -1.562 36.272 38.000 -0.277 0.000 1.112 282 I HN 0.347 nan 8.210 nan 0.000 0.430 283 Q N 0.826 120.577 119.800 -0.081 0.000 2.096 283 Q HA -0.223 4.117 4.340 0.001 0.000 0.204 283 Q C 1.749 177.770 176.000 0.035 0.000 0.982 283 Q CA 1.669 57.518 55.803 0.076 0.000 0.850 283 Q CB -0.079 28.702 28.738 0.072 0.000 0.901 283 Q HN 0.506 nan 8.270 nan 0.000 0.422 284 D N 0.303 120.674 120.400 -0.049 0.000 2.144 284 D HA -0.123 4.517 4.640 0.001 0.000 0.199 284 D C 1.769 178.009 176.300 -0.100 0.000 0.984 284 D CA 1.121 55.093 54.000 -0.047 0.000 0.834 284 D CB -0.114 40.655 40.800 -0.051 0.000 0.955 284 D HN 0.245 nan 8.370 nan 0.000 0.465 285 A N 0.781 123.458 122.820 -0.239 0.000 1.986 285 A HA -0.180 4.141 4.320 0.001 0.000 0.220 285 A C 1.639 179.054 177.584 -0.281 0.000 1.171 285 A CA 0.877 52.722 52.037 -0.321 0.000 0.640 285 A CB -1.145 nan 19.000 nan 0.000 0.811 285 A HN 0.227 nan 8.150 nan 0.000 0.451 286 F N 0.135 120.048 119.950 -0.062 0.000 2.703 286 F HA 0.037 4.565 4.527 0.000 0.000 0.299 286 F C 0.704 176.471 175.800 -0.054 0.000 1.229 286 F CA 0.037 58.000 58.000 -0.060 0.000 1.430 286 F CB 0.226 39.198 39.000 -0.048 0.000 1.053 286 F HN 0.202 nan 8.300 nan 0.000 0.513 287 D N -0.072 120.369 120.400 0.067 0.000 2.469 287 D HA 0.090 4.731 4.640 0.001 0.000 0.215 287 D C 1.109 177.412 176.300 0.005 0.000 1.154 287 D CA 0.215 54.240 54.000 0.042 0.000 0.832 287 D CB 0.517 41.336 40.800 0.032 0.000 1.008 287 D HN 0.267 nan 8.370 nan 0.000 0.506 288 K N 0.910 121.293 120.400 -0.028 0.000 2.800 288 K HA 0.645 4.966 4.320 0.001 0.000 0.185 288 K C 0.863 177.376 176.600 -0.145 0.000 1.082 288 K CA 0.181 56.432 56.287 -0.061 0.000 0.978 288 K CB -1.324 31.141 32.500 -0.059 0.000 1.364 288 K HN 0.209 nan 8.250 nan 0.000 0.592 289 I N -1.200 119.215 120.570 -0.258 0.000 3.129 289 I HA 0.088 4.258 4.170 0.001 0.000 0.210 289 I C 1.408 177.232 176.117 -0.489 0.000 1.122 289 I CA 2.767 63.656 61.300 -0.685 0.000 1.932 289 I CB -1.540 nan 38.000 nan 0.000 1.201 289 I HN 2.514 nan 8.210 nan 0.000 0.655 290 H N -2.404 116.270 119.070 -0.659 0.000 3.254 290 H HA 0.555 5.111 4.556 0.001 0.000 0.194 290 H C 0.981 176.197 175.328 -0.187 0.000 0.925 290 H CA 1.141 57.032 56.048 -0.262 0.000 1.153 290 H CB -1.784 nan 29.762 nan 0.000 1.157 290 H HN 2.690 nan 8.280 nan 0.000 0.353 291 F N 1.506 121.293 119.950 -0.273 0.000 2.509 291 F HA 0.745 5.272 4.527 0.001 0.000 0.344 291 F C 0.887 176.823 175.800 0.227 0.000 1.197 291 F CA -0.277 57.767 58.000 0.073 0.000 1.294 291 F CB -0.154 39.028 39.000 0.302 0.000 1.643 291 F HN 1.215 nan 8.300 nan 0.000 0.596 292 G N 0.598 109.430 108.800 0.054 0.000 2.343 292 G HA2 0.630 4.590 3.960 0.001 0.000 0.319 292 G HA3 0.630 4.590 3.960 0.001 0.000 0.319 292 G C -0.181 174.648 174.900 -0.119 0.000 1.126 292 G CA -0.015 45.077 45.100 -0.015 0.000 0.889 292 G HN 1.670 nan 8.290 nan 0.000 0.457 293 A N 2.972 125.756 122.820 -0.059 0.000 2.586 293 A HA 0.550 4.871 4.320 0.001 0.000 0.320 293 A C -0.653 176.930 177.584 -0.001 0.000 1.281 293 A CA -0.526 51.494 52.037 -0.029 0.000 0.775 293 A CB 0.706 19.727 19.000 0.035 0.000 1.122 293 A HN 0.775 nan 8.150 nan 0.000 0.470 294 L N 2.821 124.024 121.223 -0.033 0.000 2.290 294 L HA 0.720 5.061 4.340 0.001 0.000 0.284 294 L C 0.540 177.537 176.870 0.211 0.000 1.078 294 L CA 0.447 55.356 54.840 0.114 0.000 0.815 294 L CB 1.057 43.254 42.059 0.229 0.000 1.162 294 L HN 0.573 nan 8.230 nan 0.000 0.435 295 G N 3.922 112.849 108.800 0.211 0.000 2.644 295 G HA2 0.607 4.567 3.960 0.001 0.000 0.307 295 G HA3 0.607 4.567 3.960 0.001 0.000 0.307 295 G C -1.308 173.711 174.900 0.199 0.000 1.250 295 G CA -0.673 44.570 45.100 0.238 0.000 0.996 295 G HN 0.569 nan 8.290 nan 0.000 0.489 296 K N -1.285 119.207 120.400 0.153 0.000 2.443 296 K HA 0.686 5.006 4.320 0.001 0.000 0.251 296 K C -1.573 174.992 176.600 -0.058 0.000 0.972 296 K CA -0.717 55.612 56.287 0.070 0.000 0.833 296 K CB 3.035 35.603 32.500 0.114 0.000 1.317 296 K HN 0.244 nan 8.250 nan 0.000 0.441 297 V N 3.653 123.477 119.914 -0.150 0.000 2.614 297 V HA 0.223 4.343 4.120 0.001 0.000 0.281 297 V C -0.748 175.092 176.094 -0.423 0.000 1.031 297 V CA -0.898 61.193 62.300 -0.348 0.000 0.899 297 V CB 1.142 32.670 31.823 -0.491 0.000 1.037 297 V HN 0.623 nan 8.190 nan 0.000 0.456 298 I N 3.989 124.284 120.570 -0.459 0.000 2.496 298 I HA 0.352 4.522 4.170 0.001 0.000 0.285 298 I C -0.359 175.406 176.117 -0.586 0.000 1.080 298 I CA 0.189 61.212 61.300 -0.463 0.000 1.404 298 I CB 0.252 37.812 38.000 -0.735 0.000 1.403 298 I HN 0.380 nan 8.210 nan 0.000 0.539 299 F N 4.086 123.884 119.950 -0.253 0.000 2.359 299 F HA 0.327 4.854 4.527 0.001 0.000 0.369 299 F C 0.677 176.190 175.800 -0.479 0.000 1.084 299 F CA -0.648 57.129 58.000 -0.371 0.000 1.096 299 F CB 0.659 39.487 39.000 -0.287 0.000 1.335 299 F HN 0.420 nan 8.300 nan 0.000 0.457 300 E N 3.900 123.900 120.200 -0.334 0.000 2.105 300 E HA 0.273 4.624 4.350 0.001 0.000 0.285 300 E C -0.768 175.634 176.600 -0.329 0.000 1.055 300 E CA -0.252 56.053 56.400 -0.159 0.000 0.843 300 E CB 0.879 30.574 29.700 -0.008 0.000 1.067 300 E HN 0.335 nan 8.360 nan 0.000 0.398 301 F N 1.272 121.256 119.950 0.057 0.000 2.411 301 F HA 0.142 4.670 4.527 0.001 0.000 0.324 301 F C 1.904 177.746 175.800 0.071 0.000 1.086 301 F CA -0.670 57.356 58.000 0.045 0.000 1.028 301 F CB 0.801 39.907 39.000 0.178 0.000 1.284 301 F HN 0.392 nan 8.300 nan 0.000 0.501 302 E N 0.781 121.138 120.200 0.261 0.000 2.000 302 E HA -0.134 4.216 4.350 0.001 0.000 0.199 302 E C -0.228 176.518 176.600 0.244 0.000 1.011 302 E CA 1.552 58.081 56.400 0.214 0.000 0.836 302 E CB -0.014 29.778 29.700 0.153 0.000 0.778 302 E HN 0.642 nan 8.360 nan 0.000 0.462 303 E N -1.373 118.928 120.200 0.167 0.000 2.416 303 E HA 0.299 4.649 4.350 0.001 0.000 0.273 303 E C -1.057 175.460 176.600 -0.137 0.000 0.935 303 E CA -0.704 55.722 56.400 0.043 0.000 0.784 303 E CB 2.002 31.705 29.700 0.005 0.000 1.301 303 E HN 0.088 nan 8.360 nan 0.000 0.454 304 C N 1.457 120.552 119.300 -0.340 0.000 2.648 304 C HA 0.284 4.744 4.460 0.001 0.000 0.415 304 C C 0.735 175.299 174.990 -0.710 0.000 1.366 304 C CA -0.737 57.749 59.018 -0.887 0.000 1.756 304 C CB -1.720 25.622 27.740 -0.664 0.000 2.549 304 C HN 0.760 nan 8.230 nan 0.000 0.597 305 C N 3.127 121.908 119.300 -0.866 0.000 3.079 305 C HA 0.660 5.120 4.460 0.001 0.000 0.246 305 C C -1.139 173.812 174.990 -0.066 0.000 1.025 305 C CA -0.701 58.124 59.018 -0.321 0.000 1.081 305 C CB -1.860 25.811 27.740 -0.115 0.000 1.757 305 C HN 1.150 nan 8.230 nan 0.000 0.646 306 W N -0.081 121.171 121.300 -0.079 0.000 3.464 306 W HA 0.634 5.294 4.660 0.000 0.000 0.292 306 W C -0.607 175.895 176.519 -0.028 0.000 1.262 306 W CA -0.787 56.519 57.345 -0.066 0.000 1.202 306 W CB -0.033 29.372 29.460 -0.092 0.000 1.334 306 W HN 0.451 nan 8.180 nan 0.000 0.561 307 S N 1.834 117.663 115.700 0.216 0.000 2.593 307 S HA -0.030 4.440 4.470 0.001 0.000 0.300 307 S C 0.342 175.051 174.600 0.182 0.000 1.267 307 S CA 0.449 58.726 58.200 0.128 0.000 1.065 307 S CB 0.049 63.306 63.200 0.095 0.000 0.807 307 S HN 0.499 nan 8.310 nan 0.000 0.499 308 N N 3.558 122.304 118.700 0.077 0.000 2.378 308 N HA 0.123 4.864 4.740 0.001 0.000 0.243 308 N C 1.229 176.770 175.510 0.052 0.000 1.137 308 N CA -0.078 53.022 53.050 0.083 0.000 0.862 308 N CB 0.140 38.636 38.487 0.015 0.000 1.116 308 N HN 0.804 nan 8.380 nan 0.000 0.499 309 E N -0.147 120.080 120.200 0.046 0.000 2.048 309 E HA -0.149 4.202 4.350 0.001 0.000 0.202 309 E C 0.157 176.757 176.600 0.000 0.000 1.021 309 E CA 0.938 57.348 56.400 0.017 0.000 0.825 309 E CB 0.152 29.859 29.700 0.012 0.000 0.756 309 E HN 0.222 nan 8.360 nan 0.000 0.454 310 S N -1.740 113.950 115.700 -0.016 0.000 2.599 310 S HA 0.240 4.710 4.470 0.001 0.000 0.287 310 S C 0.254 174.812 174.600 -0.069 0.000 1.105 310 S CA -0.139 58.030 58.200 -0.051 0.000 0.899 310 S CB 1.838 64.983 63.200 -0.092 0.000 1.100 310 S HN 0.173 nan 8.310 nan 0.000 0.482 311 S N 1.645 117.291 115.700 -0.089 0.000 2.556 311 S HA 0.375 4.846 4.470 0.001 0.000 0.216 311 S C -0.107 174.364 174.600 -0.214 0.000 0.970 311 S CA -0.320 57.818 58.200 -0.104 0.000 0.912 311 S CB -0.217 62.947 63.200 -0.061 0.000 0.790 311 S HN 0.527 nan 8.310 nan 0.000 0.504 312 K N 1.380 121.593 120.400 -0.311 0.000 2.426 312 K HA 0.618 4.939 4.320 0.001 0.000 0.254 312 K C -1.128 175.190 176.600 -0.470 0.000 0.936 312 K CA -0.294 55.690 56.287 -0.505 0.000 0.801 312 K CB 1.949 33.839 32.500 -1.017 0.000 1.139 312 K HN 0.285 nan 8.250 nan 0.000 0.424 313 I N 1.103 121.475 120.570 -0.330 0.000 2.865 313 I HA 0.473 4.643 4.170 0.001 0.000 0.302 313 I C -0.849 175.312 176.117 0.073 0.000 1.140 313 I CA -1.348 59.825 61.300 -0.212 0.000 1.021 313 I CB 2.611 40.421 38.000 -0.318 0.000 1.233 313 I HN 0.046 nan 8.210 nan 0.000 0.427 314 V N 2.331 122.299 119.914 0.090 0.000 2.612 314 V HA 0.332 4.452 4.120 0.001 0.000 0.301 314 V C -0.133 176.129 176.094 0.279 0.000 1.059 314 V CA -0.576 61.912 62.300 0.315 0.000 0.886 314 V CB 2.344 34.406 31.823 0.397 0.000 1.007 314 V HN 0.894 nan 8.190 nan 0.000 0.426 315 T N 3.507 118.248 114.554 0.311 0.000 2.889 315 T HA 0.662 5.012 4.350 0.001 0.000 0.291 315 T C -0.619 174.275 174.700 0.324 0.000 0.995 315 T CA -0.501 61.754 62.100 0.257 0.000 1.092 315 T CB 1.118 70.016 68.868 0.049 0.000 0.954 315 T HN 0.204 nan 8.240 nan 0.000 0.506 316 L N 3.346 124.801 121.223 0.386 0.000 2.257 316 L HA 0.574 4.914 4.340 0.001 0.000 0.290 316 L C 0.900 177.976 176.870 0.344 0.000 1.044 316 L CA -0.427 54.601 54.840 0.313 0.000 0.810 316 L CB 0.238 42.458 42.059 0.270 0.000 1.193 316 L HN 1.065 nan 8.230 nan 0.000 0.425 317 A N 4.102 127.058 122.820 0.227 0.000 2.609 317 A HA 0.023 4.343 4.320 0.001 0.000 0.232 317 A C 0.586 178.270 177.584 0.166 0.000 1.041 317 A CA -0.128 52.035 52.037 0.211 0.000 0.753 317 A CB -0.315 18.715 19.000 0.050 0.000 0.966 317 A HN 0.765 nan 8.150 nan 0.000 0.510 318 N N 0.580 119.369 118.700 0.148 0.000 2.345 318 N HA 0.171 4.911 4.740 0.001 0.000 0.243 318 N C 0.215 175.722 175.510 -0.005 0.000 1.246 318 N CA 1.129 54.191 53.050 0.021 0.000 0.863 318 N CB 0.376 38.840 38.487 -0.038 0.000 1.096 318 N HN 0.822 nan 8.380 nan 0.000 0.446 319 S N -1.507 114.176 115.700 -0.029 0.000 2.570 319 S HA 0.684 5.155 4.470 0.001 0.000 0.286 319 S C -0.110 174.432 174.600 -0.097 0.000 1.099 319 S CA -0.978 57.160 58.200 -0.103 0.000 0.913 319 S CB 1.894 64.995 63.200 -0.166 0.000 1.085 319 S HN 0.582 nan 8.310 nan 0.000 0.480 320 T N -0.537 113.976 114.554 -0.068 0.000 2.950 320 T HA 0.534 4.884 4.350 0.001 0.000 0.288 320 T C 0.208 174.917 174.700 0.015 0.000 1.035 320 T CA -0.738 61.355 62.100 -0.013 0.000 1.028 320 T CB 1.178 70.067 68.868 0.035 0.000 1.109 320 T HN 0.404 nan 8.240 nan 0.000 0.514 321 N N -0.073 118.628 118.700 0.002 0.000 2.415 321 N HA 0.048 4.788 4.740 0.001 0.000 0.176 321 N C 1.526 177.050 175.510 0.022 0.000 1.042 321 N CA 0.422 53.470 53.050 -0.002 0.000 0.902 321 N CB -0.160 38.316 38.487 -0.019 0.000 0.986 321 N HN 0.873 nan 8.380 nan 0.000 0.447 322 E N -0.484 119.740 120.200 0.040 0.000 2.268 322 E HA -0.153 4.197 4.350 0.001 0.000 0.195 322 E C 1.395 178.027 176.600 0.053 0.000 0.995 322 E CA 0.409 56.828 56.400 0.031 0.000 0.836 322 E CB -0.067 29.654 29.700 0.034 0.000 0.763 322 E HN 0.275 nan 8.360 nan 0.000 0.491 323 F N 0.683 120.610 119.950 -0.038 0.000 2.102 323 F HA -0.196 4.332 4.527 0.000 0.000 0.298 323 F C 1.910 177.682 175.800 -0.046 0.000 1.105 323 F CA 1.332 59.315 58.000 -0.028 0.000 1.239 323 F CB -0.425 38.565 39.000 -0.018 0.000 0.991 323 F HN -0.121 nan 8.300 nan 0.000 0.474 324 V N 0.435 120.283 119.914 -0.111 0.000 2.295 324 V HA -0.297 3.824 4.120 0.001 0.000 0.246 324 V C 2.370 178.334 176.094 -0.217 0.000 1.049 324 V CA 2.155 64.331 62.300 -0.206 0.000 1.024 324 V CB -0.909 30.868 31.823 -0.077 0.000 0.648 324 V HN 0.332 nan 8.190 nan 0.000 0.447 325 E N 0.624 120.743 120.200 -0.135 0.000 2.070 325 E HA -0.237 4.113 4.350 0.001 0.000 0.197 325 E C 1.949 178.458 176.600 -0.151 0.000 1.004 325 E CA 1.859 58.189 56.400 -0.117 0.000 0.805 325 E CB -0.431 29.226 29.700 -0.072 0.000 0.744 325 E HN 0.602 nan 8.360 nan 0.000 0.451 326 I N -0.548 119.914 120.570 -0.181 0.000 2.286 326 I HA -0.231 3.939 4.170 0.001 0.000 0.248 326 I C 2.157 178.119 176.117 -0.258 0.000 1.115 326 I CA 0.706 61.892 61.300 -0.191 0.000 1.392 326 I CB -0.121 37.781 38.000 -0.164 0.000 1.065 326 I HN 0.067 nan 8.210 nan 0.000 0.418 327 V N 0.637 120.317 119.914 -0.390 0.000 2.358 327 V HA -0.190 3.930 4.120 0.001 0.000 0.246 327 V C 2.541 178.477 176.094 -0.263 0.000 1.047 327 V CA 1.500 63.570 62.300 -0.384 0.000 1.035 327 V CB -0.662 30.849 31.823 -0.520 0.000 0.658 327 V HN 0.350 nan 8.190 nan 0.000 0.452 328 R N 0.415 120.778 120.500 -0.229 0.000 2.148 328 R HA -0.039 4.301 4.340 0.001 0.000 0.227 328 R C 1.680 177.891 176.300 -0.149 0.000 1.103 328 R CA 1.246 57.240 56.100 -0.177 0.000 0.983 328 R CB -0.759 29.453 30.300 -0.146 0.000 0.874 328 R HN 0.663 nan 8.270 nan 0.000 0.451 329 N N -0.082 118.533 118.700 -0.142 0.000 2.322 329 N HA 0.109 4.849 4.740 0.001 0.000 0.181 329 N C 0.064 175.509 175.510 -0.108 0.000 1.088 329 N CA -0.167 52.816 53.050 -0.112 0.000 0.885 329 N CB 0.442 38.873 38.487 -0.094 0.000 1.013 329 N HN 0.019 nan 8.380 nan 0.000 0.472 330 A N 1.259 124.003 122.820 -0.127 0.000 2.511 330 A HA 0.322 4.642 4.320 0.001 0.000 0.242 330 A C 1.123 178.645 177.584 -0.103 0.000 1.069 330 A CA 0.477 52.446 52.037 -0.112 0.000 0.763 330 A CB 0.114 19.037 19.000 -0.129 0.000 1.001 330 A HN 0.456 nan 8.150 nan 0.000 0.498 331 E N 1.497 121.647 120.200 -0.082 0.000 2.385 331 E HA 0.147 4.497 4.350 0.001 0.000 0.194 331 E C 0.379 176.935 176.600 -0.072 0.000 1.013 331 E CA 0.955 57.311 56.400 -0.074 0.000 0.866 331 E CB -0.604 29.061 29.700 -0.058 0.000 0.832 331 E HN 1.044 nan 8.360 nan 0.000 0.500 332 N N -5.378 113.278 118.700 -0.074 0.000 3.533 332 N HA 0.312 5.052 4.740 0.001 0.000 0.229 332 N C 1.149 176.618 175.510 -0.068 0.000 1.418 332 N CA -0.122 52.888 53.050 -0.068 0.000 0.880 332 N CB 0.675 39.132 38.487 -0.051 0.000 1.415 332 N HN 0.317 nan 8.380 nan 0.000 0.491 333 L N -0.381 120.804 121.223 -0.063 0.000 2.211 333 L HA -0.213 4.127 4.340 0.001 0.000 0.216 333 L C 1.831 178.671 176.870 -0.050 0.000 1.092 333 L CA 2.682 57.484 54.840 -0.063 0.000 0.767 333 L CB -1.542 40.489 42.059 -0.048 0.000 0.894 333 L HN 0.724 nan 8.230 nan 0.000 0.437 334 D N -1.485 118.891 120.400 -0.039 0.000 2.120 334 D HA -0.153 4.487 4.640 0.001 0.000 0.202 334 D C 2.001 178.284 176.300 -0.030 0.000 0.972 334 D CA 1.348 55.331 54.000 -0.028 0.000 0.837 334 D CB 0.071 40.857 40.800 -0.022 0.000 0.989 334 D HN 0.842 nan 8.370 nan 0.000 0.469 335 E N 0.698 120.875 120.200 -0.038 0.000 2.028 335 E HA -0.162 4.189 4.350 0.001 0.000 0.191 335 E C 2.242 178.815 176.600 -0.045 0.000 0.988 335 E CA 0.449 56.825 56.400 -0.039 0.000 0.799 335 E CB -0.087 29.585 29.700 -0.046 0.000 0.755 335 E HN 0.028 nan 8.360 nan 0.000 0.447 336 L N 1.555 122.739 121.223 -0.065 0.000 2.261 336 L HA -0.150 4.190 4.340 0.001 0.000 0.216 336 L C 1.982 178.824 176.870 -0.047 0.000 1.114 336 L CA 2.743 57.535 54.840 -0.080 0.000 0.777 336 L CB -0.828 41.159 42.059 -0.120 0.000 0.910 336 L HN 0.343 nan 8.230 nan 0.000 0.440 337 D N -1.452 118.927 120.400 -0.034 0.000 2.091 337 D HA -0.172 4.468 4.640 0.001 0.000 0.199 337 D C 2.162 178.478 176.300 0.026 0.000 0.980 337 D CA 1.607 55.607 54.000 0.000 0.000 0.831 337 D CB -0.861 nan 40.800 nan 0.000 0.987 337 D HN 0.625 nan 8.370 nan 0.000 0.460 338 S N -0.355 115.350 115.700 0.008 0.000 2.357 338 S HA -0.105 4.365 4.470 0.001 0.000 0.221 338 S C 2.236 176.844 174.600 0.013 0.000 1.031 338 S CA 1.435 59.642 58.200 0.011 0.000 0.982 338 S CB -0.434 62.766 63.200 0.001 0.000 0.853 338 S HN 0.459 nan 8.310 nan 0.000 0.458 339 M N 0.987 120.587 119.600 0.001 0.000 2.426 339 M HA 0.053 4.534 4.480 0.001 0.000 0.261 339 M C -0.035 176.279 176.300 0.024 0.000 1.068 339 M CA 0.964 56.264 55.300 -0.001 0.000 1.066 339 M CB -0.631 31.954 32.600 -0.025 0.000 1.399 339 M HN 0.345 nan 8.290 nan 0.000 0.449 340 L N 1.872 123.124 121.223 0.049 0.000 2.283 340 L HA 0.375 4.715 4.340 0.001 0.000 0.287 340 L C 0.139 177.053 176.870 0.074 0.000 1.073 340 L CA -0.299 54.602 54.840 0.101 0.000 0.822 340 L CB 0.229 42.394 42.059 0.178 0.000 1.186 340 L HN 0.234 nan 8.230 nan 0.000 0.436 341 E N 1.227 121.463 120.200 0.060 0.000 3.797 341 E HA 0.517 4.867 4.350 0.001 0.000 0.349 341 E C -0.707 175.910 176.600 0.028 0.000 1.177 341 E CA 0.046 56.466 56.400 0.034 0.000 1.289 341 E CB -0.064 nan 29.700 nan 0.000 1.033 341 E HN 0.833 nan 8.360 nan 0.000 0.488 342 R N -1.448 119.065 120.500 0.022 0.000 4.703 342 R HA 1.079 5.419 4.340 0.001 0.000 0.238 342 R C 0.478 176.787 176.300 0.015 0.000 0.904 342 R CA 1.628 57.739 56.100 0.018 0.000 0.618 342 R CB -1.562 28.751 30.300 0.022 0.000 2.049 342 R HN 2.554 nan 8.270 nan 0.000 0.362 350 S N -0.222 115.501 115.700 0.038 0.000 2.818 350 S HA 0.333 4.803 4.470 0.001 0.000 0.848 350 S C -0.197 174.446 174.600 0.071 0.000 0.793 350 S CA 0.035 58.264 58.200 0.049 0.000 1.537 350 S CB -1.635 61.587 63.200 0.036 0.000 1.099 350 S HN 1.632 nan 8.310 nan 0.000 0.425 351 V N 5.099 125.079 119.914 0.110 0.000 2.407 351 V HA 0.851 4.972 4.120 0.001 0.000 0.278 351 V C 0.963 177.161 176.094 0.174 0.000 1.037 351 V CA 0.481 62.878 62.300 0.161 0.000 0.900 351 V CB 1.111 33.074 31.823 0.233 0.000 0.983 351 V HN 1.549 nan 8.190 nan 0.000 0.459 352 T N 0.273 114.837 114.554 0.017 0.000 2.888 352 T HA 0.212 4.562 4.350 0.001 0.000 0.288 352 T C 1.276 175.624 174.700 -0.586 0.000 1.063 352 T CA -0.063 61.845 62.100 -0.320 0.000 1.010 352 T CB 1.294 70.077 68.868 -0.141 0.000 1.214 352 T HN 0.797 nan 8.240 nan 0.000 0.533 353 C N -1.885 116.770 119.300 -1.076 0.000 2.421 353 C HA 0.107 4.568 4.460 0.001 0.000 0.296 353 C C 1.320 176.007 174.990 -0.506 0.000 1.470 353 C CA -0.446 58.043 59.018 -0.882 0.000 1.779 353 C CB -2.193 24.999 27.740 -0.913 0.000 1.715 353 C HN 0.798 nan 8.230 nan 0.000 0.564 354 W N 0.949 122.147 121.300 -0.170 0.000 3.102 354 W HA 0.331 4.991 4.660 0.001 0.000 0.401 354 W C 1.852 178.348 176.519 -0.038 0.000 1.070 354 W CA -0.266 57.042 57.345 -0.062 0.000 1.921 354 W CB -0.149 29.276 29.460 -0.059 0.000 1.118 354 W HN 0.102 nan 8.180 nan 0.000 0.647 355 S N 0.676 116.450 115.700 0.123 0.000 2.575 355 S HA 0.030 4.500 4.470 0.001 0.000 0.215 355 S C 0.611 175.255 174.600 0.075 0.000 0.966 355 S CA 0.182 58.443 58.200 0.101 0.000 0.911 355 S CB -0.124 63.135 63.200 0.098 0.000 0.780 355 S HN 0.248 nan 8.310 nan 0.000 0.514 356 Q N 0.222 120.068 119.800 0.077 0.000 2.575 356 Q HA 0.409 4.749 4.340 0.001 0.000 0.290 356 Q C -3.593 172.448 176.000 0.068 0.000 0.963 356 Q CA -2.284 53.544 55.803 0.042 0.000 0.783 356 Q CB 0.727 29.503 28.738 0.064 0.000 1.467 356 Q HN -0.090 nan 8.270 nan 0.000 0.402 357 P HA 0.386 nan 4.420 nan 0.000 0.279 357 P C -0.712 176.686 177.300 0.164 0.000 1.239 357 P CA -0.274 62.897 63.100 0.118 0.000 0.789 357 P CB 0.955 32.702 31.700 0.079 0.000 0.933 358 L N 3.399 124.753 121.223 0.219 0.000 2.381 358 L HA 0.428 4.768 4.340 0.001 0.000 0.274 358 L C -0.336 176.708 176.870 0.289 0.000 0.988 358 L CA -0.996 53.948 54.840 0.173 0.000 0.824 358 L CB 1.778 43.886 42.059 0.081 0.000 1.263 358 L HN 0.292 nan 8.230 nan 0.000 0.410 359 F N 4.381 124.354 119.950 0.039 0.000 2.361 359 F HA 0.515 5.042 4.527 0.000 0.000 0.364 359 F C -1.055 174.732 175.800 -0.022 0.000 1.120 359 F CA -0.981 57.094 58.000 0.126 0.000 1.102 359 F CB 0.394 39.529 39.000 0.224 0.000 1.183 359 F HN 0.088 nan 8.300 nan 0.000 0.476 360 F N 5.811 125.549 119.950 -0.353 0.000 2.411 360 F HA 0.450 4.978 4.527 0.001 0.000 0.352 360 F C -0.256 175.093 175.800 -0.750 0.000 1.123 360 F CA -1.095 56.586 58.000 -0.532 0.000 1.044 360 F CB 1.321 39.980 39.000 -0.567 0.000 1.135 360 F HN 0.053 nan 8.300 nan 0.000 0.461 361 V N 3.828 123.444 119.914 -0.497 0.000 2.385 361 V HA 0.096 4.216 4.120 0.001 0.000 0.269 361 V C 0.347 176.299 176.094 -0.236 0.000 1.043 361 V CA -0.774 61.292 62.300 -0.390 0.000 0.906 361 V CB 0.959 32.653 31.823 -0.215 0.000 0.995 361 V HN 0.785 nan 8.190 nan 0.000 0.467 362 N N 5.220 123.771 118.700 -0.249 0.000 2.605 362 N HA 0.165 4.905 4.740 0.001 0.000 0.258 362 N C 0.941 176.543 175.510 0.154 0.000 1.156 362 N CA -0.511 52.514 53.050 -0.042 0.000 1.008 362 N CB 0.454 38.909 38.487 -0.053 0.000 1.354 362 N HN 0.706 nan 8.380 nan 0.000 0.509 363 L N 1.823 123.184 121.223 0.230 0.000 2.551 363 L HA -0.134 4.206 4.340 0.001 0.000 0.230 363 L C 2.404 179.403 176.870 0.215 0.000 1.163 363 L CA 0.273 55.206 54.840 0.154 0.000 0.826 363 L CB -0.421 41.775 42.059 0.227 0.000 0.943 363 L HN 0.525 nan 8.230 nan 0.000 0.452 364 S N 0.371 116.281 115.700 0.350 0.000 2.355 364 S HA -0.209 4.261 4.470 0.001 0.000 0.222 364 S C 2.098 176.764 174.600 0.110 0.000 1.031 364 S CA 1.464 59.807 58.200 0.238 0.000 0.993 364 S CB 0.063 63.435 63.200 0.286 0.000 0.859 364 S HN 0.434 nan 8.310 nan 0.000 0.453 365 K N 0.350 120.822 120.400 0.120 0.000 2.116 365 K HA -0.022 4.298 4.320 0.001 0.000 0.203 365 K C 2.190 178.817 176.600 0.045 0.000 1.052 365 K CA 1.534 57.857 56.287 0.061 0.000 0.952 365 K CB -0.241 32.292 32.500 0.055 0.000 0.729 365 K HN 0.516 nan 8.250 nan 0.000 0.446 366 S N -1.027 114.691 115.700 0.030 0.000 2.470 366 S HA -0.046 4.424 4.470 0.001 0.000 0.222 366 S C 1.711 176.340 174.600 0.048 0.000 1.024 366 S CA 0.926 59.138 58.200 0.021 0.000 0.931 366 S CB 0.244 63.408 63.200 -0.060 0.000 0.791 366 S HN 0.430 nan 8.310 nan 0.000 0.513 367 T N -4.262 110.322 114.554 0.049 0.000 2.975 367 T HA 0.587 4.938 4.350 0.001 0.000 0.261 367 T C 1.600 176.341 174.700 0.067 0.000 0.984 367 T CA 0.764 62.912 62.100 0.080 0.000 0.911 367 T CB 0.338 69.273 68.868 0.112 0.000 1.127 367 T HN 1.104 nan 8.240 nan 0.000 0.514 368 G N 1.381 110.219 108.800 0.064 0.000 2.317 368 G HA2 -0.260 3.700 3.960 0.001 0.000 0.227 368 G HA3 -0.260 3.700 3.960 0.001 0.000 0.227 368 G C 0.096 175.032 174.900 0.059 0.000 1.042 368 G CA -0.134 44.991 45.100 0.041 0.000 0.623 368 G HN 0.806 nan 8.290 nan 0.000 0.509 369 V N 2.366 122.343 119.914 0.105 0.000 2.479 369 V HA 0.490 4.610 4.120 0.001 0.000 0.281 369 V C 1.387 177.642 176.094 0.268 0.000 1.031 369 V CA 0.343 62.738 62.300 0.159 0.000 1.038 369 V CB 1.039 32.958 31.823 0.160 0.000 0.981 369 V HN 1.318 nan 8.190 nan 0.000 0.478 370 A N 4.795 127.773 122.820 0.264 0.000 3.076 370 A HA 0.427 4.748 4.320 0.001 0.000 0.269 370 A C 0.670 178.648 177.584 0.658 0.000 1.916 370 A CA 0.253 52.544 52.037 0.424 0.000 1.492 370 A CB -0.671 18.492 19.000 0.272 0.000 1.000 370 A HN 0.756 nan 8.150 nan 0.000 0.615 371 S N 0.056 116.129 115.700 0.621 0.000 2.556 371 S HA 0.747 5.218 4.470 0.001 0.000 0.271 371 S C -1.201 173.758 174.600 0.599 0.000 1.135 371 S CA -0.516 57.988 58.200 0.508 0.000 0.858 371 S CB 1.060 64.555 63.200 0.492 0.000 1.114 371 S HN 0.317 nan 8.310 nan 0.000 0.468 372 F N 2.124 122.246 119.950 0.286 0.000 2.444 372 F HA 0.520 5.047 4.527 0.001 0.000 0.342 372 F C 0.108 175.985 175.800 0.128 0.000 1.121 372 F CA -1.518 56.600 58.000 0.198 0.000 0.997 372 F CB 1.486 40.625 39.000 0.231 0.000 1.130 372 F HN 0.428 nan 8.300 nan 0.000 0.454 373 M N 6.367 126.091 119.600 0.208 0.000 2.061 373 M HA 0.425 4.906 4.480 0.001 0.000 0.346 373 M C -1.198 175.082 176.300 -0.034 0.000 1.112 373 M CA -0.165 55.170 55.300 0.058 0.000 1.021 373 M CB 0.900 33.536 32.600 0.059 0.000 1.530 373 M HN 0.695 nan 8.290 nan 0.000 0.437 374 M N 4.889 124.450 119.600 -0.065 0.000 2.300 374 M HA 0.474 4.954 4.480 0.001 0.000 0.348 374 M C -1.933 174.299 176.300 -0.114 0.000 1.151 374 M CA -0.826 54.315 55.300 -0.265 0.000 1.046 374 M CB 1.200 33.524 32.600 -0.460 0.000 1.647 374 M HN 0.666 nan 8.290 nan 0.000 0.451 375 L N 5.986 127.190 121.223 -0.032 0.000 2.317 375 L HA 0.630 4.971 4.340 0.001 0.000 0.281 375 L C -0.139 176.819 176.870 0.146 0.000 1.024 375 L CA -0.129 54.821 54.840 0.184 0.000 0.810 375 L CB 1.816 44.156 42.059 0.469 0.000 1.240 375 L HN 0.826 nan 8.230 nan 0.000 0.427 376 M N 1.496 121.192 119.600 0.159 0.000 2.775 376 M HA 0.808 5.288 4.480 0.001 0.000 0.296 376 M C -1.180 175.214 176.300 0.157 0.000 1.248 376 M CA -0.800 54.592 55.300 0.153 0.000 0.800 376 M CB 2.322 35.015 32.600 0.155 0.000 1.765 376 M HN 0.511 nan 8.290 nan 0.000 0.472 377 Q N 1.205 121.081 119.800 0.127 0.000 2.544 377 Q HA 0.776 5.116 4.340 0.001 0.000 0.291 377 Q C -1.559 174.470 176.000 0.047 0.000 1.068 377 Q CA -0.797 55.066 55.803 0.099 0.000 0.785 377 Q CB 1.781 30.584 28.738 0.110 0.000 1.481 377 Q HN 0.966 nan 8.270 nan 0.000 0.430 378 A N 1.910 124.746 122.820 0.028 0.000 2.462 378 A HA 0.407 4.727 4.320 0.001 0.000 0.243 378 A C -1.668 175.896 177.584 -0.033 0.000 1.076 378 A CA -0.775 51.248 52.037 -0.023 0.000 0.773 378 A CB -0.165 18.831 19.000 -0.007 0.000 1.010 378 A HN 0.699 nan 8.150 nan 0.000 0.493 379 P HA -0.011 nan 4.420 nan 0.000 0.255 379 P C 1.233 178.265 177.300 -0.448 0.000 1.248 379 P CA -0.005 62.954 63.100 -0.234 0.000 0.807 379 P CB 0.238 31.811 31.700 -0.212 0.000 1.150 380 L N 0.536 121.629 121.223 -0.217 0.000 2.056 380 L HA -0.093 4.248 4.340 0.001 0.000 0.207 380 L C 1.787 178.601 176.870 -0.094 0.000 1.078 380 L CA 2.089 56.847 54.840 -0.136 0.000 0.749 380 L CB -1.470 40.630 42.059 0.067 0.000 0.901 380 L HN 0.002 nan 8.230 nan 0.000 0.433 381 T N 0.834 115.370 114.554 -0.031 0.000 2.624 381 T HA -0.233 4.117 4.350 0.001 0.000 0.268 381 T C 1.649 176.347 174.700 -0.002 0.000 1.041 381 T CA 1.917 64.030 62.100 0.022 0.000 1.159 381 T CB -0.437 68.462 68.868 0.052 0.000 0.863 381 T HN 0.463 nan 8.240 nan 0.000 0.434 382 N N 0.645 119.313 118.700 -0.054 0.000 2.137 382 N HA -0.142 4.599 4.740 0.001 0.000 0.190 382 N C 1.726 177.272 175.510 0.060 0.000 1.017 382 N CA 1.407 54.447 53.050 -0.016 0.000 0.859 382 N CB -0.411 38.047 38.487 -0.047 0.000 1.002 382 N HN 0.654 nan 8.380 nan 0.000 0.428 383 H N 0.738 119.786 119.070 -0.037 0.000 2.268 383 H HA 0.069 4.625 4.556 0.001 0.000 0.304 383 H C 2.133 177.386 175.328 -0.124 0.000 1.064 383 H CA 0.428 56.424 56.048 -0.087 0.000 1.316 383 H CB 0.159 29.849 29.762 -0.120 0.000 1.386 383 H HN 0.030 nan 8.280 nan 0.000 0.496 384 I N 1.636 122.204 120.570 -0.004 0.000 2.248 384 I HA -0.239 3.932 4.170 0.001 0.000 0.248 384 I C 1.995 178.103 176.117 -0.015 0.000 1.107 384 I CA 1.469 62.734 61.300 -0.058 0.000 1.373 384 I CB -0.918 37.105 38.000 0.038 0.000 1.055 384 I HN 0.428 nan 8.210 nan 0.000 0.418 385 E N 0.718 120.917 120.200 -0.001 0.000 2.072 385 E HA -0.150 4.201 4.350 0.001 0.000 0.190 385 E C 2.153 178.735 176.600 -0.030 0.000 0.982 385 E CA 1.549 57.936 56.400 -0.022 0.000 0.803 385 E CB -0.128 29.563 29.700 -0.015 0.000 0.755 385 E HN 0.534 nan 8.360 nan 0.000 0.453 386 S N 1.353 117.047 115.700 -0.011 0.000 2.493 386 S HA -0.126 4.344 4.470 0.001 0.000 0.243 386 S C 1.650 176.230 174.600 -0.033 0.000 0.991 386 S CA 0.865 59.055 58.200 -0.017 0.000 0.957 386 S CB -0.667 62.536 63.200 0.005 0.000 0.756 386 S HN 0.435 nan 8.310 nan 0.000 0.521 387 I N -1.387 119.159 120.570 -0.041 0.000 3.491 387 I HA 0.414 4.584 4.170 0.001 0.000 0.332 387 I C 1.224 177.318 176.117 -0.038 0.000 1.565 387 I CA -0.872 60.401 61.300 -0.045 0.000 1.050 387 I CB 0.306 38.269 38.000 -0.062 0.000 1.348 387 I HN 0.096 nan 8.210 nan 0.000 0.506 388 R N 0.102 120.574 120.500 -0.046 0.000 2.339 388 R HA 0.109 4.449 4.340 0.001 0.000 0.199 388 R C 0.449 176.714 176.300 -0.058 0.000 1.018 388 R CA 0.663 56.728 56.100 -0.058 0.000 1.036 388 R CB -0.111 30.140 30.300 -0.082 0.000 0.899 388 R HN 0.447 nan 8.270 nan 0.000 0.473 389 E N 0.659 120.832 120.200 -0.045 0.000 2.431 389 E HA -0.007 4.343 4.350 0.001 0.000 0.200 389 E C -0.321 176.263 176.600 -0.027 0.000 0.995 389 E CA 0.191 56.567 56.400 -0.041 0.000 0.915 389 E CB 0.281 29.958 29.700 -0.038 0.000 0.930 389 E HN 0.249 nan 8.360 nan 0.000 0.496 390 D N 1.756 122.146 120.400 -0.017 0.000 2.524 390 D HA 0.041 4.682 4.640 0.001 0.000 0.222 390 D C 0.798 177.112 176.300 0.023 0.000 1.142 390 D CA -0.166 53.835 54.000 0.002 0.000 0.973 390 D CB 0.413 41.216 40.800 0.005 0.000 1.025 390 D HN -0.292 nan 8.370 nan 0.000 0.519 391 K N 1.924 122.331 120.400 0.013 0.000 2.280 391 K HA -0.139 4.182 4.320 0.001 0.000 0.202 391 K C 1.390 178.050 176.600 0.099 0.000 1.047 391 K CA 0.838 57.144 56.287 0.031 0.000 0.942 391 K CB 0.207 32.696 32.500 -0.020 0.000 0.739 391 K HN 0.456 nan 8.250 nan 0.000 0.457 392 E N 0.363 120.614 120.200 0.085 0.000 2.072 392 E HA -0.078 4.273 4.350 0.001 0.000 0.190 392 E C 2.161 178.875 176.600 0.191 0.000 0.982 392 E CA 0.848 57.329 56.400 0.135 0.000 0.803 392 E CB -0.041 29.709 29.700 0.084 0.000 0.755 392 E HN 0.192 nan 8.360 nan 0.000 0.453 393 R N 0.491 121.069 120.500 0.131 0.000 2.066 393 R HA -0.061 4.279 4.340 0.001 0.000 0.232 393 R C 2.204 178.612 176.300 0.181 0.000 1.131 393 R CA 0.944 57.118 56.100 0.124 0.000 0.955 393 R CB -0.210 30.124 30.300 0.057 0.000 0.851 393 R HN 0.159 nan 8.270 nan 0.000 0.432 394 L N -0.105 121.236 121.223 0.198 0.000 2.079 394 L HA -0.217 4.124 4.340 0.001 0.000 0.210 394 L C 2.334 179.514 176.870 0.516 0.000 1.081 394 L CA 1.233 56.274 54.840 0.335 0.000 0.752 394 L CB -0.529 41.683 42.059 0.254 0.000 0.896 394 L HN 0.232 nan 8.230 nan 0.000 0.433 395 F N 0.533 120.642 119.950 0.264 0.000 2.146 395 F HA -0.181 4.346 4.527 0.001 0.000 0.298 395 F C 2.599 178.545 175.800 0.243 0.000 1.096 395 F CA 1.578 59.742 58.000 0.274 0.000 1.275 395 F CB -0.235 38.857 39.000 0.153 0.000 1.008 395 F HN -0.075 nan 8.300 nan 0.000 0.480 396 S N 0.441 116.215 115.700 0.123 0.000 2.348 396 S HA -0.214 4.257 4.470 0.001 0.000 0.221 396 S C 1.874 176.440 174.600 -0.058 0.000 1.033 396 S CA 1.439 59.631 58.200 -0.014 0.000 1.010 396 S CB -0.977 62.277 63.200 0.091 0.000 0.891 396 S HN 0.479 nan 8.310 nan 0.000 0.442 397 F N 1.349 121.205 119.950 -0.157 0.000 2.091 397 F HA -0.152 4.375 4.527 0.001 0.000 0.299 397 F C 1.582 177.096 175.800 -0.478 0.000 1.103 397 F CA 1.522 59.308 58.000 -0.358 0.000 1.228 397 F CB -0.326 38.346 39.000 -0.547 0.000 0.984 397 F HN 0.178 nan 8.300 nan 0.000 0.477 398 F N -0.605 119.391 119.950 0.077 0.000 2.698 398 F HA 0.036 4.563 4.527 0.000 0.000 0.295 398 F C 2.373 178.033 175.800 -0.234 0.000 1.124 398 F CA 0.568 58.541 58.000 -0.045 0.000 1.426 398 F CB -0.837 38.301 39.000 0.230 0.000 1.120 398 F HN -0.020 nan 8.300 nan 0.000 0.583 399 Q N 1.901 121.551 119.800 -0.250 0.000 2.118 399 Q HA -0.225 4.115 4.340 0.001 0.000 0.211 399 Q C -0.746 175.138 176.000 -0.192 0.000 0.998 399 Q CA 2.561 58.111 55.803 -0.422 0.000 0.872 399 Q CB -1.229 27.096 28.738 -0.689 0.000 0.925 399 Q HN 0.174 nan 8.270 nan 0.000 0.414 400 P HA -0.171 nan 4.420 nan 0.000 0.214 400 P C 1.663 178.960 177.300 -0.004 0.000 1.163 400 P CA 2.294 65.401 63.100 0.013 0.000 0.883 400 P CB -0.487 31.295 31.700 0.136 0.000 0.788 401 V N -2.399 117.332 119.914 -0.306 0.000 2.407 401 V HA -0.201 3.919 4.120 0.001 0.000 0.248 401 V C 2.666 178.585 176.094 -0.293 0.000 1.055 401 V CA 1.483 63.495 62.300 -0.481 0.000 1.049 401 V CB -2.068 29.386 31.823 -0.614 0.000 0.662 401 V HN -0.075 nan 8.190 nan 0.000 0.455 402 L N 0.659 121.754 121.223 -0.213 0.000 2.079 402 L HA -0.142 4.198 4.340 0.001 0.000 0.210 402 L C 2.800 179.588 176.870 -0.137 0.000 1.081 402 L CA 2.027 56.743 54.840 -0.205 0.000 0.752 402 L CB -0.821 41.166 42.059 -0.121 0.000 0.896 402 L HN 0.409 nan 8.230 nan 0.000 0.433 403 N N -0.111 118.547 118.700 -0.069 0.000 2.171 403 N HA -0.162 4.578 4.740 0.001 0.000 0.184 403 N C 1.829 177.330 175.510 -0.014 0.000 1.021 403 N CA 0.903 53.940 53.050 -0.021 0.000 0.854 403 N CB -0.092 38.406 38.487 0.018 0.000 0.994 403 N HN 0.112 nan 8.380 nan 0.000 0.426 404 K N 1.637 122.055 120.400 0.029 0.000 2.097 404 K HA 0.077 4.397 4.320 0.001 0.000 0.206 404 K C 1.925 178.508 176.600 -0.028 0.000 1.049 404 K CA 0.734 57.068 56.287 0.077 0.000 0.933 404 K CB -0.365 32.317 32.500 0.304 0.000 0.717 404 K HN 0.151 nan 8.250 nan 0.000 0.442 405 I N 0.056 120.532 120.570 -0.156 0.000 2.179 405 I HA -0.290 3.880 4.170 0.001 0.000 0.242 405 I C 2.108 178.126 176.117 -0.164 0.000 1.088 405 I CA 1.008 62.155 61.300 -0.255 0.000 1.357 405 I CB -0.329 37.377 38.000 -0.491 0.000 1.051 405 I HN 0.166 nan 8.210 nan 0.000 0.409 406 M N 0.545 120.060 119.600 -0.143 0.000 2.117 406 M HA -0.219 4.262 4.480 0.001 0.000 0.262 406 M C 2.272 178.555 176.300 -0.029 0.000 1.065 406 M CA 1.666 56.909 55.300 -0.094 0.000 1.114 406 M CB -1.168 31.372 32.600 -0.101 0.000 1.361 406 M HN 0.213 nan 8.290 nan 0.000 0.408 407 K N 0.074 120.462 120.400 -0.020 0.000 1.991 407 K HA -0.166 4.155 4.320 0.001 0.000 0.212 407 K C 1.877 178.478 176.600 0.002 0.000 1.049 407 K CA 1.948 58.236 56.287 0.001 0.000 0.932 407 K CB -0.110 32.395 32.500 0.010 0.000 0.717 407 K HN 0.358 nan 8.250 nan 0.000 0.441 408 C N 1.036 120.331 119.300 -0.009 0.000 2.443 408 C HA -0.001 4.459 4.460 0.001 0.000 0.290 408 C C 1.649 176.638 174.990 -0.002 0.000 1.476 408 C CA 0.309 59.323 59.018 -0.007 0.000 1.772 408 C CB -1.049 26.681 27.740 -0.016 0.000 1.714 408 C HN 0.425 nan 8.230 nan 0.000 0.562 409 L N 0.336 121.563 121.223 0.007 0.000 3.017 409 L HA 0.189 4.529 4.340 0.001 0.000 0.255 409 L C -0.215 176.701 176.870 0.076 0.000 1.247 409 L CA 0.083 54.953 54.840 0.049 0.000 1.038 409 L CB -0.283 41.824 42.059 0.079 0.000 1.380 409 L HN 0.197 nan 8.230 nan 0.000 0.548 410 D N 0.691 121.119 120.400 0.047 0.000 2.746 410 D HA -0.172 4.469 4.640 0.001 0.000 0.241 410 D C 0.176 176.508 176.300 0.054 0.000 1.140 410 D CA 1.103 55.128 54.000 0.043 0.000 0.707 410 D CB -0.489 40.334 40.800 0.038 0.000 1.034 410 D HN 0.426 nan 8.370 nan 0.000 0.423 411 S N -0.734 114.996 115.700 0.051 0.000 3.121 411 S HA 0.661 5.132 4.470 0.001 0.000 0.324 411 S C -1.275 173.344 174.600 0.032 0.000 1.192 411 S CA -0.156 58.076 58.200 0.054 0.000 0.937 411 S CB 2.020 65.275 63.200 0.092 0.000 1.336 411 S HN 0.319 nan 8.310 nan 0.000 0.664 412 E N 0.159 120.376 120.200 0.029 0.000 2.456 412 E HA 0.412 4.763 4.350 0.001 0.000 0.276 412 E C -1.679 174.937 176.600 0.027 0.000 0.981 412 E CA -0.944 55.472 56.400 0.027 0.000 0.814 412 E CB 0.377 30.096 29.700 0.032 0.000 1.382 412 E HN 0.461 nan 8.360 nan 0.000 0.459 413 D N 1.020 121.444 120.400 0.039 0.000 2.583 413 D HA 0.026 4.666 4.640 0.001 0.000 0.232 413 D C 0.106 176.462 176.300 0.094 0.000 1.128 413 D CA 0.340 54.375 54.000 0.059 0.000 0.859 413 D CB 0.827 41.667 40.800 0.067 0.000 1.169 413 D HN 0.180 nan 8.370 nan 0.000 0.481 414 V N 4.053 124.048 119.914 0.134 0.000 2.585 414 V HA -0.000 4.120 4.120 0.001 0.000 0.296 414 V C 0.977 177.240 176.094 0.280 0.000 1.035 414 V CA -0.087 62.352 62.300 0.233 0.000 1.084 414 V CB 0.465 32.502 31.823 0.357 0.000 0.953 414 V HN 0.324 nan 8.190 nan 0.000 0.483 415 I N 4.050 124.745 120.570 0.209 0.000 2.342 415 I HA 0.192 4.362 4.170 0.001 0.000 0.291 415 I C 0.337 176.460 176.117 0.011 0.000 1.010 415 I CA -0.249 61.124 61.300 0.122 0.000 1.308 415 I CB 1.108 39.154 38.000 0.076 0.000 1.400 415 I HN 0.577 nan 8.210 nan 0.000 0.488 416 D N 6.186 126.493 120.400 -0.155 0.000 2.359 416 D HA 0.159 4.799 4.640 0.001 0.000 0.250 416 D C 0.506 176.628 176.300 -0.297 0.000 1.264 416 D CA -0.054 53.620 54.000 -0.543 0.000 0.911 416 D CB 1.003 41.274 40.800 -0.881 0.000 1.056 416 D HN 0.701 nan 8.370 nan 0.000 0.499 417 G N 3.695 112.346 108.800 -0.249 0.000 4.757 417 G HA2 0.113 4.073 3.960 0.001 0.000 0.303 417 G HA3 0.113 4.073 3.960 0.001 0.000 0.303 417 G C 1.047 175.835 174.900 -0.188 0.000 1.318 417 G CA -0.326 44.674 45.100 -0.167 0.000 1.020 417 G HN 0.487 nan 8.290 nan 0.000 0.589 418 M N -0.259 119.208 119.600 -0.221 0.000 2.558 418 M HA 0.198 4.678 4.480 0.001 0.000 0.255 418 M C 1.000 177.229 176.300 -0.119 0.000 1.113 418 M CA 0.709 55.899 55.300 -0.184 0.000 1.097 418 M CB 0.359 32.839 32.600 -0.199 0.000 1.426 418 M HN 0.066 nan 8.290 nan 0.000 0.488 419 R N 1.349 121.786 120.500 -0.104 0.000 2.674 419 R HA 0.282 4.622 4.340 0.001 0.000 0.270 419 R C -2.460 173.806 176.300 -0.056 0.000 1.492 419 R CA -1.224 54.837 56.100 -0.065 0.000 1.624 419 R CB 0.017 30.284 30.300 -0.056 0.000 1.307 419 R HN 0.086 nan 8.270 nan 0.000 0.683 420 P HA -0.085 nan 4.420 nan 0.000 0.267 420 P C -0.172 177.117 177.300 -0.018 0.000 1.175 420 P CA 0.586 63.665 63.100 -0.035 0.000 0.763 420 P CB 1.135 32.824 31.700 -0.019 0.000 0.795 421 I N 0.483 121.046 120.570 -0.013 0.000 2.769 421 I HA 0.065 4.235 4.170 0.001 0.000 0.272 421 I C 0.518 176.636 176.117 0.003 0.000 1.408 421 I CA -0.557 60.740 61.300 -0.004 0.000 0.925 421 I CB 0.916 38.913 38.000 -0.006 0.000 1.407 421 I HN 0.450 nan 8.210 nan 0.000 0.550 422 E N 4.061 124.267 120.200 0.009 0.000 3.025 422 E HA -0.160 4.190 4.350 0.001 0.000 0.248 422 E C -0.596 176.012 176.600 0.014 0.000 0.938 422 E CA 0.895 57.304 56.400 0.016 0.000 0.958 422 E CB 0.402 30.114 29.700 0.019 0.000 0.898 422 E HN 0.513 nan 8.360 nan 0.000 0.537 423 N N 2.683 121.393 118.700 0.016 0.000 2.235 423 N HA 0.313 5.053 4.740 0.001 0.000 0.293 423 N C 0.520 176.041 175.510 0.018 0.000 1.083 423 N CA 0.216 53.275 53.050 0.015 0.000 0.801 423 N CB 1.515 40.011 38.487 0.014 0.000 1.559 423 N HN 0.333 nan 8.380 nan 0.000 0.472 424 I N 1.631 122.210 120.570 0.016 0.000 2.315 424 I HA 0.035 4.205 4.170 0.001 0.000 0.248 424 I C 2.110 178.237 176.117 0.018 0.000 1.117 424 I CA 2.137 63.446 61.300 0.016 0.000 1.404 424 I CB -1.863 nan 38.000 nan 0.000 1.071 424 I HN 0.787 nan 8.210 nan 0.000 0.419 425 A N 0.928 123.759 122.820 0.018 0.000 2.148 425 A HA -0.239 4.081 4.320 0.001 0.000 0.222 425 A C 1.574 179.172 177.584 0.024 0.000 1.161 425 A CA 1.660 53.709 52.037 0.020 0.000 0.662 425 A CB -1.098 17.914 19.000 0.020 0.000 0.799 425 A HN 0.782 nan 8.150 nan 0.000 0.466 426 N N 0.354 119.070 118.700 0.026 0.000 2.652 426 N HA 0.303 5.044 4.740 0.001 0.000 0.259 426 N C 1.201 176.729 175.510 0.030 0.000 1.240 426 N CA 0.672 53.742 53.050 0.033 0.000 0.951 426 N CB -0.008 38.501 38.487 0.037 0.000 1.281 426 N HN 0.499 nan 8.380 nan 0.000 0.507 427 A N 1.741 124.575 122.820 0.024 0.000 1.830 427 A HA -0.280 4.040 4.320 0.001 0.000 0.214 427 A C 2.286 179.880 177.584 0.017 0.000 1.218 427 A CA 2.283 54.330 52.037 0.018 0.000 0.628 427 A CB -1.212 nan 19.000 nan 0.000 0.860 427 A HN 0.501 nan 8.150 nan 0.000 0.454 428 N N 0.258 118.968 118.700 0.016 0.000 2.173 428 N HA -0.014 4.726 4.740 0.001 0.000 0.184 428 N C 1.045 176.570 175.510 0.025 0.000 1.025 428 N CA 1.239 54.297 53.050 0.013 0.000 0.852 428 N CB -0.718 37.776 38.487 0.012 0.000 0.998 428 N HN 0.690 nan 8.380 nan 0.000 0.427 429 K N 1.611 122.031 120.400 0.034 0.000 2.579 429 K HA 0.011 4.332 4.320 0.001 0.000 0.277 429 K C -2.394 174.245 176.600 0.065 0.000 0.985 429 K CA -0.404 55.912 56.287 0.049 0.000 1.088 429 K CB 0.093 32.624 32.500 0.051 0.000 0.836 429 K HN 0.424 nan 8.250 nan 0.000 0.487 430 P HA 0.107 nan 4.420 nan 0.000 0.292 430 P C -0.797 176.621 177.300 0.197 0.000 1.287 430 P CA -0.405 62.756 63.100 0.101 0.000 0.800 430 P CB 1.104 32.786 31.700 -0.029 0.000 0.945 431 V N 5.451 125.522 119.914 0.263 0.000 2.384 431 V HA 0.167 4.288 4.120 0.001 0.000 0.287 431 V C 0.444 176.704 176.094 0.277 0.000 1.020 431 V CA -0.830 61.603 62.300 0.222 0.000 0.850 431 V CB 1.371 33.251 31.823 0.096 0.000 0.987 431 V HN 0.457 nan 8.190 nan 0.000 0.436 432 L N 7.217 128.523 121.223 0.138 0.000 2.319 432 L HA 0.475 4.815 4.340 0.001 0.000 0.280 432 L C 1.120 177.818 176.870 -0.287 0.000 1.099 432 L CA 0.632 55.333 54.840 -0.231 0.000 0.828 432 L CB 0.582 42.529 42.059 -0.186 0.000 1.150 432 L HN 0.527 nan 8.230 nan 0.000 0.442 433 R N 3.227 123.479 120.500 -0.413 0.000 2.064 433 R HA 0.247 4.588 4.340 0.001 0.000 0.210 433 R C 0.393 176.479 176.300 -0.357 0.000 1.221 433 R CA 0.420 56.244 56.100 -0.460 0.000 1.055 433 R CB -0.456 29.280 30.300 -0.940 0.000 0.946 433 R HN 0.760 nan 8.270 nan 0.000 0.459 434 N N -0.062 118.426 118.700 -0.353 0.000 2.592 434 N HA 0.515 5.255 4.740 0.001 0.000 0.292 434 N C -1.157 174.182 175.510 -0.285 0.000 1.260 434 N CA -0.513 52.395 53.050 -0.236 0.000 0.910 434 N CB 1.783 40.194 38.487 -0.127 0.000 1.257 434 N HN -0.103 nan 8.380 nan 0.000 0.569 435 I N 1.902 122.309 120.570 -0.272 0.000 2.685 435 I HA 0.316 4.486 4.170 0.001 0.000 0.289 435 I C -1.336 174.591 176.117 -0.318 0.000 1.292 435 I CA -0.391 60.668 61.300 -0.402 0.000 1.050 435 I CB 2.074 39.853 38.000 -0.368 0.000 1.301 435 I HN 0.421 nan 8.210 nan 0.000 0.425 436 I N 6.678 127.025 120.570 -0.372 0.000 2.436 436 I HA 0.551 4.722 4.170 0.001 0.000 0.289 436 I C -0.657 175.291 176.117 -0.281 0.000 1.010 436 I CA -0.877 60.264 61.300 -0.264 0.000 1.098 436 I CB 2.055 39.920 38.000 -0.224 0.000 1.266 436 I HN 0.099 nan 8.210 nan 0.000 0.434 437 V N 4.020 123.807 119.914 -0.211 0.000 2.769 437 V HA 0.454 4.574 4.120 0.001 0.000 0.312 437 V C 0.323 176.315 176.094 -0.170 0.000 1.061 437 V CA -0.710 61.480 62.300 -0.183 0.000 0.931 437 V CB 2.049 33.787 31.823 -0.143 0.000 1.010 437 V HN 0.906 nan 8.190 nan 0.000 0.433 438 S N 1.761 117.376 115.700 -0.142 0.000 2.617 438 S HA 0.197 4.667 4.470 0.001 0.000 0.255 438 S C 0.419 174.842 174.600 -0.295 0.000 1.318 438 S CA 0.037 58.090 58.200 -0.246 0.000 0.978 438 S CB 0.548 63.716 63.200 -0.053 0.000 0.961 438 S HN 0.887 nan 8.310 nan 0.000 0.582 439 N N -1.822 116.567 118.700 -0.518 0.000 2.036 439 N HA 0.116 4.856 4.740 0.001 0.000 0.228 439 N C 0.395 175.757 175.510 -0.247 0.000 1.368 439 N CA -0.262 52.589 53.050 -0.332 0.000 0.846 439 N CB 0.137 38.425 38.487 -0.331 0.000 1.145 439 N HN 0.760 nan 8.380 nan 0.000 0.502 440 W N 1.350 122.654 121.300 0.007 0.000 2.274 440 W HA -0.271 4.389 4.660 0.000 0.000 0.314 440 W C 2.556 179.079 176.519 0.008 0.000 1.254 440 W CA 1.845 59.200 57.345 0.017 0.000 1.265 440 W CB -0.689 28.795 29.460 0.040 0.000 1.141 440 W HN 0.187 nan 8.180 nan 0.000 0.505 441 T N -1.987 112.688 114.554 0.201 0.000 3.085 441 T HA 0.026 4.377 4.350 0.001 0.000 0.263 441 T C 1.494 176.228 174.700 0.057 0.000 1.127 441 T CA 0.774 62.944 62.100 0.117 0.000 1.103 441 T CB -0.142 68.776 68.868 0.084 0.000 0.921 441 T HN 0.215 nan 8.240 nan 0.000 0.510 442 R N 0.464 120.976 120.500 0.019 0.000 2.365 442 R HA 0.234 4.574 4.340 0.001 0.000 0.223 442 R C 0.035 176.303 176.300 -0.053 0.000 0.899 442 R CA -0.167 55.920 56.100 -0.022 0.000 1.059 442 R CB 0.304 30.578 30.300 -0.043 0.000 1.086 442 R HN 0.310 nan 8.270 nan 0.000 0.522 443 D N 2.214 122.591 120.400 -0.038 0.000 2.317 443 D HA 0.038 4.678 4.640 0.001 0.000 0.252 443 D C -1.457 174.802 176.300 -0.069 0.000 1.174 443 D CA -2.181 51.772 54.000 -0.079 0.000 0.866 443 D CB 1.599 42.397 40.800 -0.003 0.000 1.127 443 D HN -0.033 nan 8.370 nan 0.000 0.467 444 P HA -0.133 nan 4.420 nan 0.000 0.225 444 P C 0.646 177.963 177.300 0.029 0.000 1.148 444 P CA 0.904 63.907 63.100 -0.160 0.000 0.779 444 P CB -0.065 31.459 31.700 -0.293 0.000 0.780 445 Y N -0.937 119.407 120.300 0.073 0.000 2.493 445 Y HA 0.186 4.736 4.550 0.001 0.000 0.275 445 Y C 1.854 177.820 175.900 0.110 0.000 1.183 445 Y CA -0.550 57.599 58.100 0.082 0.000 1.258 445 Y CB 0.427 38.938 38.460 0.085 0.000 1.108 445 Y HN 0.028 nan 8.280 nan 0.000 0.521 446 S N -0.789 115.055 115.700 0.240 0.000 3.730 446 S HA 0.139 4.609 4.470 0.001 0.000 0.218 446 S C 0.369 175.051 174.600 0.136 0.000 1.053 446 S CA -0.491 57.837 58.200 0.214 0.000 0.878 446 S CB 0.485 63.909 63.200 0.373 0.000 1.064 446 S HN 0.246 nan 8.310 nan 0.000 0.583 447 R N 1.427 122.003 120.500 0.127 0.000 3.423 447 R HA -0.052 4.289 4.340 0.001 0.000 0.271 447 R C 0.166 176.514 176.300 0.080 0.000 1.093 447 R CA 0.635 56.784 56.100 0.082 0.000 0.730 447 R CB -1.758 28.572 30.300 0.051 0.000 1.190 447 R HN 0.800 nan 8.270 nan 0.000 0.437 448 G N -2.918 105.955 108.800 0.121 0.000 2.278 448 G HA2 0.353 4.313 3.960 0.001 0.000 0.265 448 G HA3 0.353 4.313 3.960 0.001 0.000 0.265 448 G C -0.033 174.931 174.900 0.106 0.000 1.329 448 G CA -0.342 44.816 45.100 0.096 0.000 1.017 448 G HN 0.439 nan 8.290 nan 0.000 0.472 449 A N -1.546 121.268 122.820 -0.010 0.000 1.983 449 A HA 0.807 5.128 4.320 0.001 0.000 0.207 449 A C 0.424 178.029 177.584 0.035 0.000 1.412 449 A CA 2.178 54.178 52.037 -0.063 0.000 0.750 449 A CB 0.054 nan 19.000 nan 0.000 1.047 449 A HN 2.277 nan 8.150 nan 0.000 0.504 450 Y N -3.515 116.756 120.300 -0.048 0.000 2.774 450 Y HA 0.570 5.120 4.550 0.000 0.000 0.346 450 Y C -0.294 175.612 175.900 0.009 0.000 1.222 450 Y CA -1.131 56.941 58.100 -0.047 0.000 1.088 450 Y CB -0.075 38.342 38.460 -0.072 0.000 1.354 450 Y HN -0.072 nan 8.280 nan 0.000 0.455 451 S N 0.903 116.707 115.700 0.174 0.000 2.599 451 S HA 0.448 4.919 4.470 0.001 0.000 0.303 451 S C 0.003 174.676 174.600 0.122 0.000 1.267 451 S CA 0.791 59.058 58.200 0.111 0.000 1.055 451 S CB -0.090 63.190 63.200 0.133 0.000 0.790 451 S HN 1.172 nan 8.310 nan 0.000 0.500 452 A N 1.980 124.834 122.820 0.057 0.000 2.609 452 A HA 0.654 4.974 4.320 0.001 0.000 0.291 452 A C -1.129 176.481 177.584 0.044 0.000 1.096 452 A CA -0.670 51.435 52.037 0.112 0.000 0.684 452 A CB 1.170 20.246 19.000 0.127 0.000 1.282 452 A HN 0.774 nan 8.150 nan 0.000 0.412 453 C N 1.065 120.418 119.300 0.088 0.000 2.319 453 C HA 0.625 5.086 4.460 0.001 0.000 0.323 453 C C -0.071 175.072 174.990 0.254 0.000 1.277 453 C CA -0.471 58.585 59.018 0.064 0.000 1.517 453 C CB -0.930 26.815 27.740 0.009 0.000 2.206 453 C HN 0.622 nan 8.230 nan 0.000 0.486 454 F N 4.182 124.130 119.950 -0.002 0.000 2.370 454 F HA 0.292 4.819 4.527 0.001 0.000 0.324 454 F C -1.362 174.440 175.800 0.003 0.000 1.116 454 F CA -2.355 55.650 58.000 0.008 0.000 1.123 454 F CB 0.922 39.934 39.000 0.020 0.000 1.238 454 F HN 0.350 nan 8.300 nan 0.000 0.536 455 P HA -0.004 nan 4.420 nan 0.000 0.252 455 P C 0.418 177.784 177.300 0.110 0.000 1.183 455 P CA 1.007 64.177 63.100 0.117 0.000 0.973 455 P CB -0.062 31.695 31.700 0.095 0.000 0.990 456 G N 2.348 111.195 108.800 0.078 0.000 2.273 456 G HA2 -0.134 3.826 3.960 0.001 0.000 0.162 456 G HA3 -0.134 3.826 3.960 0.001 0.000 0.162 456 G C -0.062 174.863 174.900 0.041 0.000 1.006 456 G CA -0.509 44.630 45.100 0.065 0.000 0.704 456 G HN 0.396 nan 8.290 nan 0.000 0.487 457 D N 0.621 121.040 120.400 0.032 0.000 2.372 457 D HA 0.506 5.146 4.640 0.001 0.000 0.243 457 D C -0.117 176.174 176.300 -0.016 0.000 1.297 457 D CA 0.503 54.499 54.000 -0.007 0.000 0.958 457 D CB 0.630 41.412 40.800 -0.030 0.000 1.114 457 D HN 0.120 nan 8.370 nan 0.000 0.496 458 D N -0.227 120.156 120.400 -0.029 0.000 2.318 458 D HA 0.112 4.752 4.640 0.001 0.000 0.233 458 D C -2.689 173.590 176.300 -0.035 0.000 1.348 458 D CA -1.197 52.786 54.000 -0.027 0.000 0.983 458 D CB 1.406 42.192 40.800 -0.022 0.000 1.416 458 D HN 0.028 nan 8.370 nan 0.000 0.558 459 P HA 0.221 nan 4.420 nan 0.000 0.241 459 P C 0.373 177.657 177.300 -0.027 0.000 1.760 459 P CA 0.201 63.287 63.100 -0.023 0.000 1.081 459 P CB 0.779 32.478 31.700 -0.002 0.000 1.975 460 V N 2.323 122.212 119.914 -0.042 0.000 4.121 460 V HA -0.047 4.074 4.120 0.001 0.000 0.162 460 V C 1.973 178.029 176.094 -0.063 0.000 1.393 460 V CA 0.596 62.871 62.300 -0.041 0.000 1.131 460 V CB -0.387 31.420 31.823 -0.027 0.000 1.170 460 V HN 0.271 nan 8.190 nan 0.000 0.598 461 D N 0.159 120.516 120.400 -0.072 0.000 2.309 461 D HA -0.189 4.451 4.640 0.001 0.000 0.212 461 D C 1.773 177.988 176.300 -0.143 0.000 0.968 461 D CA 2.011 55.954 54.000 -0.095 0.000 0.882 461 D CB 0.381 41.127 40.800 -0.090 0.000 0.918 461 D HN 0.572 nan 8.370 nan 0.000 0.503 462 M N 0.446 119.955 119.600 -0.151 0.000 2.429 462 M HA 0.040 4.520 4.480 0.001 0.000 0.265 462 M C 1.920 178.113 176.300 -0.179 0.000 1.120 462 M CA 0.773 55.947 55.300 -0.210 0.000 1.173 462 M CB -0.157 32.326 32.600 -0.194 0.000 1.343 462 M HN -0.129 nan 8.290 nan 0.000 0.464 463 V N -0.583 119.259 119.914 -0.120 0.000 2.515 463 V HA -0.185 3.936 4.120 0.001 0.000 0.250 463 V C 2.258 178.293 176.094 -0.099 0.000 1.058 463 V CA 1.509 63.747 62.300 -0.103 0.000 1.064 463 V CB -0.795 30.991 31.823 -0.062 0.000 0.675 463 V HN 0.355 nan 8.190 nan 0.000 0.461 464 V N 0.045 119.903 119.914 -0.092 0.000 2.302 464 V HA -0.112 4.008 4.120 0.001 0.000 0.243 464 V C 2.707 178.743 176.094 -0.096 0.000 1.036 464 V CA 1.708 63.962 62.300 -0.076 0.000 1.020 464 V CB -1.001 30.785 31.823 -0.062 0.000 0.657 464 V HN 0.510 nan 8.190 nan 0.000 0.453 465 A N -0.253 122.488 122.820 -0.132 0.000 1.917 465 A HA -0.268 4.052 4.320 0.001 0.000 0.219 465 A C 2.253 179.724 177.584 -0.188 0.000 1.182 465 A CA 2.262 54.203 52.037 -0.161 0.000 0.633 465 A CB -0.529 18.340 19.000 -0.217 0.000 0.819 465 A HN 0.409 nan 8.150 nan 0.000 0.448 466 M N 0.548 120.005 119.600 -0.237 0.000 2.086 466 M HA -0.113 4.368 4.480 0.001 0.000 0.261 466 M C 2.276 178.536 176.300 -0.068 0.000 1.067 466 M CA 1.992 57.134 55.300 -0.263 0.000 1.116 466 M CB -1.381 31.030 32.600 -0.316 0.000 1.348 466 M HN 0.640 nan 8.290 nan 0.000 0.407 467 S N -0.375 115.286 115.700 -0.066 0.000 2.660 467 S HA 0.006 4.477 4.470 0.001 0.000 0.223 467 S C 1.083 175.685 174.600 0.003 0.000 0.963 467 S CA 0.935 59.124 58.200 -0.018 0.000 0.932 467 S CB -1.474 61.706 63.200 -0.032 0.000 0.775 467 S HN 0.587 nan 8.310 nan 0.000 0.531 468 N N 0.419 119.122 118.700 0.005 0.000 2.200 468 N HA 0.555 5.295 4.740 0.001 0.000 0.224 468 N C 0.947 176.490 175.510 0.056 0.000 1.179 468 N CA 0.176 53.234 53.050 0.014 0.000 0.877 468 N CB -0.225 38.253 38.487 -0.014 0.000 1.072 468 N HN 0.882 nan 8.380 nan 0.000 0.519 469 G N -0.063 108.819 108.800 0.137 0.000 2.681 469 G HA2 -0.320 3.640 3.960 0.001 0.000 0.320 469 G HA3 -0.320 3.640 3.960 0.001 0.000 0.320 469 G C 0.659 175.686 174.900 0.211 0.000 1.339 469 G CA 0.894 46.161 45.100 0.279 0.000 0.916 469 G HN 0.741 nan 8.290 nan 0.000 0.559 470 Q N -0.414 119.543 119.800 0.262 0.000 2.089 470 Q HA 0.252 4.593 4.340 0.001 0.000 0.195 470 Q C 1.231 177.273 176.000 0.070 0.000 0.963 470 Q CA 2.580 58.471 55.803 0.147 0.000 0.834 470 Q CB 0.108 28.931 28.738 0.142 0.000 0.906 470 Q HN 0.965 nan 8.270 nan 0.000 0.452 471 D N -3.892 116.545 120.400 0.062 0.000 3.236 471 D HA 0.399 5.039 4.640 0.001 0.000 0.325 471 D C 0.314 176.638 176.300 0.041 0.000 1.352 471 D CA 0.010 54.032 54.000 0.037 0.000 0.979 471 D CB -0.310 40.502 40.800 0.020 0.000 1.410 471 D HN -0.073 nan 8.370 nan 0.000 0.588 472 S N -1.396 114.322 115.700 0.030 0.000 2.489 472 S HA 0.019 4.490 4.470 0.001 0.000 0.228 472 S C 1.702 176.348 174.600 0.076 0.000 0.995 472 S CA 0.632 58.869 58.200 0.062 0.000 0.934 472 S CB -0.442 nan 63.200 nan 0.000 0.771 472 S HN 0.297 nan 8.310 nan 0.000 0.522 473 R N 0.580 121.071 120.500 -0.015 0.000 2.087 473 R HA 0.207 4.548 4.340 0.001 0.000 0.216 473 R C 0.238 176.538 176.300 0.000 0.000 1.114 473 R CA 0.454 56.508 56.100 -0.078 0.000 1.002 473 R CB -0.457 29.761 30.300 -0.136 0.000 0.903 473 R HN 0.410 nan 8.270 nan 0.000 0.445 474 I N 3.798 124.357 120.570 -0.018 0.000 2.281 474 I HA 0.272 4.443 4.170 0.001 0.000 0.293 474 I C 0.097 176.115 176.117 -0.165 0.000 1.085 474 I CA -0.450 60.795 61.300 -0.090 0.000 1.257 474 I CB 0.163 38.131 38.000 -0.053 0.000 1.430 474 I HN -0.167 nan 8.210 nan 0.000 0.489 475 R N 5.093 125.463 120.500 -0.217 0.000 2.674 475 R HA 0.698 5.038 4.340 0.001 0.000 0.266 475 R C -0.924 175.109 176.300 -0.444 0.000 1.016 475 R CA -0.782 55.211 56.100 -0.177 0.000 1.062 475 R CB 1.351 31.610 30.300 -0.067 0.000 1.142 475 R HN 0.263 nan 8.270 nan 0.000 0.517 476 F N -0.626 119.309 119.950 -0.025 0.000 2.563 476 F HA 0.718 5.246 4.527 0.001 0.000 0.316 476 F C 0.186 175.945 175.800 -0.069 0.000 1.076 476 F CA -0.653 57.327 58.000 -0.033 0.000 0.921 476 F CB 2.223 41.183 39.000 -0.066 0.000 1.209 476 F HN 0.603 nan 8.300 nan 0.000 0.462 477 A N 1.016 123.908 122.820 0.119 0.000 2.583 477 A HA 0.984 5.305 4.320 0.001 0.000 0.289 477 A C -0.310 177.333 177.584 0.098 0.000 1.151 477 A CA -0.258 51.806 52.037 0.045 0.000 0.695 477 A CB 1.525 20.537 19.000 0.019 0.000 1.290 477 A HN 1.682 nan 8.150 nan 0.000 0.419 478 G N -0.423 108.433 108.800 0.092 0.000 2.331 478 G HA2 0.373 4.334 3.960 0.001 0.000 0.402 478 G HA3 0.373 4.334 3.960 0.001 0.000 0.402 478 G C -0.172 174.839 174.900 0.184 0.000 1.275 478 G CA 0.481 45.708 45.100 0.211 0.000 1.003 478 G HN 1.711 nan 8.290 nan 0.000 0.500 479 E N -0.329 120.024 120.200 0.256 0.000 2.494 479 E HA 0.110 4.461 4.350 0.001 0.000 0.193 479 E C 1.138 177.852 176.600 0.191 0.000 1.074 479 E CA 1.503 57.986 56.400 0.137 0.000 0.867 479 E CB -0.196 29.532 29.700 0.047 0.000 0.924 479 E HN 0.818 nan 8.360 nan 0.000 0.502 480 H N -0.866 118.215 119.070 0.019 0.000 2.567 480 H HA 0.303 4.860 4.556 0.000 0.000 0.267 480 H C -0.046 175.280 175.328 -0.004 0.000 1.148 480 H CA 0.063 56.117 56.048 0.010 0.000 1.031 480 H CB -0.515 29.266 29.762 0.031 0.000 1.691 480 H HN 0.160 nan 8.280 nan 0.000 0.588 481 T N -1.544 112.860 114.554 -0.250 0.000 3.460 481 T HA 0.456 4.806 4.350 0.001 0.000 0.304 481 T C -0.010 174.634 174.700 -0.094 0.000 0.991 481 T CA -0.378 61.583 62.100 -0.232 0.000 0.975 481 T CB -0.418 68.286 68.868 -0.273 0.000 1.196 481 T HN 0.321 nan 8.240 nan 0.000 0.490 482 I N 0.098 120.635 120.570 -0.056 0.000 2.908 482 I HA 0.470 4.641 4.170 0.001 0.000 0.300 482 I C 0.315 176.424 176.117 -0.014 0.000 1.385 482 I CA -1.160 60.129 61.300 -0.018 0.000 1.004 482 I CB 2.337 40.345 38.000 0.012 0.000 1.309 482 I HN 0.122 nan 8.210 nan 0.000 0.449 483 M N 2.446 122.048 119.600 0.003 0.000 2.447 483 M HA 0.213 4.694 4.480 0.001 0.000 0.266 483 M C -0.461 175.848 176.300 0.015 0.000 1.120 483 M CA 0.927 56.229 55.300 0.003 0.000 1.166 483 M CB 0.326 32.933 32.600 0.011 0.000 1.349 483 M HN 0.440 nan 8.290 nan 0.000 0.463 484 D N 1.369 121.803 120.400 0.057 0.000 2.352 484 D HA 0.369 5.009 4.640 0.001 0.000 0.245 484 D C 0.724 177.111 176.300 0.144 0.000 1.224 484 D CA 1.031 55.106 54.000 0.125 0.000 0.879 484 D CB 0.581 41.485 40.800 0.172 0.000 1.057 484 D HN 0.646 nan 8.370 nan 0.000 0.491 485 G N 2.214 111.025 108.800 0.019 0.000 2.157 485 G HA2 -0.211 3.749 3.960 0.001 0.000 0.248 485 G HA3 -0.211 3.749 3.960 0.001 0.000 0.248 485 G C 0.618 175.296 174.900 -0.370 0.000 0.979 485 G CA -0.045 44.785 45.100 -0.450 0.000 0.650 485 G HN 0.836 nan 8.290 nan 0.000 0.529 486 A N -0.250 122.466 122.820 -0.174 0.000 2.608 486 A HA 0.509 4.830 4.320 0.001 0.000 0.239 486 A C 2.332 179.832 177.584 -0.140 0.000 1.018 486 A CA 2.331 54.300 52.037 -0.113 0.000 0.766 486 A CB -0.343 18.620 19.000 -0.061 0.000 0.928 486 A HN 2.483 nan 8.150 nan 0.000 0.512 487 G N 0.820 109.575 108.800 -0.074 0.000 2.257 487 G HA2 -0.326 3.634 3.960 0.001 0.000 0.267 487 G HA3 -0.326 3.634 3.960 0.001 0.000 0.267 487 G C 0.600 175.365 174.900 -0.226 0.000 0.984 487 G CA 0.662 45.724 45.100 -0.063 0.000 0.626 487 G HN 1.223 nan 8.290 nan 0.000 0.540 488 C N 0.129 119.244 119.300 -0.308 0.000 2.347 488 C HA 0.766 5.226 4.460 0.001 0.000 0.366 488 C C 2.425 177.246 174.990 -0.282 0.000 1.241 488 C CA 0.258 59.053 59.018 -0.372 0.000 2.360 488 C CB 1.018 28.427 27.740 -0.553 0.000 2.290 488 C HN 0.834 nan 8.230 nan 0.000 0.587 489 A N 0.807 123.519 122.820 -0.181 0.000 1.845 489 A HA -0.157 4.164 4.320 0.001 0.000 0.215 489 A C 1.873 179.512 177.584 0.091 0.000 1.195 489 A CA 2.198 54.212 52.037 -0.039 0.000 0.616 489 A CB -1.168 17.839 19.000 0.011 0.000 0.832 489 A HN 1.075 nan 8.150 nan 0.000 0.443 490 Y N 0.093 120.482 120.300 0.148 0.000 2.315 490 Y HA 0.017 4.567 4.550 0.000 0.000 0.288 490 Y C 2.089 178.128 175.900 0.233 0.000 1.154 490 Y CA 0.599 58.782 58.100 0.138 0.000 1.229 490 Y CB -1.422 37.057 38.460 0.031 0.000 0.980 490 Y HN 0.112 nan 8.280 nan 0.000 0.540 491 G N 0.808 109.447 108.800 -0.268 0.000 2.453 491 G HA2 -0.228 3.733 3.960 0.001 0.000 0.215 491 G HA3 -0.228 3.733 3.960 0.001 0.000 0.215 491 G C 1.923 176.889 174.900 0.111 0.000 1.201 491 G CA 1.618 46.663 45.100 -0.093 0.000 0.784 491 G HN 0.679 nan 8.290 nan 0.000 0.545 492 A N 0.049 122.923 122.820 0.089 0.000 1.883 492 A HA -0.123 4.197 4.320 0.001 0.000 0.217 492 A C 2.185 179.899 177.584 0.217 0.000 1.186 492 A CA 1.799 53.917 52.037 0.134 0.000 0.624 492 A CB -0.965 18.102 19.000 0.112 0.000 0.822 492 A HN 0.638 nan 8.150 nan 0.000 0.444 493 W N 0.910 122.261 121.300 0.086 0.000 2.318 493 W HA -0.278 4.383 4.660 0.001 0.000 0.313 493 W C 2.008 178.588 176.519 0.101 0.000 1.221 493 W CA 2.428 59.842 57.345 0.114 0.000 1.266 493 W CB -0.088 29.471 29.460 0.166 0.000 1.150 493 W HN 0.416 nan 8.180 nan 0.000 0.496 494 E N 0.490 120.963 120.200 0.455 0.000 2.072 494 E HA -0.198 4.153 4.350 0.001 0.000 0.191 494 E C 2.347 178.966 176.600 0.031 0.000 0.985 494 E CA 2.332 58.862 56.400 0.217 0.000 0.801 494 E CB -0.703 29.243 29.700 0.410 0.000 0.750 494 E HN 0.287 nan 8.360 nan 0.000 0.452 495 S N -0.967 114.773 115.700 0.066 0.000 2.419 495 S HA -0.078 4.392 4.470 0.001 0.000 0.235 495 S C 2.148 176.727 174.600 -0.035 0.000 1.019 495 S CA 1.059 59.267 58.200 0.014 0.000 0.982 495 S CB -0.753 62.461 63.200 0.023 0.000 0.789 495 S HN 0.343 nan 8.310 nan 0.000 0.490 496 G N 1.435 110.197 108.800 -0.063 0.000 2.408 496 G HA2 -0.045 3.915 3.960 0.001 0.000 0.215 496 G HA3 -0.045 3.915 3.960 0.001 0.000 0.215 496 G C 1.532 176.325 174.900 -0.179 0.000 1.156 496 G CA 0.318 45.353 45.100 -0.109 0.000 0.793 496 G HN 0.531 nan 8.290 nan 0.000 0.535 497 R N 0.318 120.649 120.500 -0.281 0.000 2.115 497 R HA 0.048 4.389 4.340 0.001 0.000 0.230 497 R C 2.488 178.681 176.300 -0.179 0.000 1.111 497 R CA 1.020 56.937 56.100 -0.305 0.000 0.976 497 R CB -0.231 29.776 30.300 -0.488 0.000 0.870 497 R HN 0.310 nan 8.270 nan 0.000 0.445 498 R N 0.418 120.840 120.500 -0.130 0.000 2.070 498 R HA -0.125 4.215 4.340 0.001 0.000 0.232 498 R C 1.659 177.905 176.300 -0.089 0.000 1.138 498 R CA 1.655 57.706 56.100 -0.082 0.000 0.936 498 R CB -0.082 30.192 30.300 -0.044 0.000 0.839 498 R HN 0.155 nan 8.270 nan 0.000 0.429 499 E N 0.418 120.564 120.200 -0.089 0.000 2.153 499 E HA -0.150 4.200 4.350 0.001 0.000 0.194 499 E C 1.741 178.259 176.600 -0.137 0.000 0.988 499 E CA 1.208 57.549 56.400 -0.098 0.000 0.811 499 E CB -0.237 29.412 29.700 -0.084 0.000 0.746 499 E HN 0.464 nan 8.360 nan 0.000 0.466 500 A N 1.214 123.949 122.820 -0.142 0.000 1.825 500 A HA -0.173 4.147 4.320 0.001 0.000 0.214 500 A C 2.524 180.016 177.584 -0.153 0.000 1.206 500 A CA 2.826 54.770 52.037 -0.154 0.000 0.609 500 A CB -1.342 17.576 19.000 -0.137 0.000 0.851 500 A HN 0.399 nan 8.150 nan 0.000 0.445 501 T N -1.068 113.409 114.554 -0.127 0.000 2.624 501 T HA -0.317 4.033 4.350 0.001 0.000 0.268 501 T C 1.972 176.597 174.700 -0.124 0.000 1.041 501 T CA 1.785 63.819 62.100 -0.109 0.000 1.159 501 T CB -0.595 68.221 68.868 -0.087 0.000 0.863 501 T HN 0.514 nan 8.240 nan 0.000 0.434 502 R N 0.988 121.414 120.500 -0.124 0.000 2.154 502 R HA -0.086 4.255 4.340 0.001 0.000 0.248 502 R C 2.383 178.558 176.300 -0.209 0.000 1.155 502 R CA 1.800 57.824 56.100 -0.128 0.000 0.979 502 R CB -0.459 29.779 30.300 -0.104 0.000 0.869 502 R HN 0.597 nan 8.270 nan 0.000 0.452 503 I N 0.113 120.506 120.570 -0.294 0.000 2.429 503 I HA -0.169 4.001 4.170 0.001 0.000 0.247 503 I C 2.460 178.355 176.117 -0.371 0.000 1.099 503 I CA 0.941 61.923 61.300 -0.529 0.000 1.422 503 I CB -0.285 37.337 38.000 -0.631 0.000 1.112 503 I HN 0.253 nan 8.210 nan 0.000 0.430 504 S N 0.633 116.196 115.700 -0.228 0.000 2.400 504 S HA -0.232 4.239 4.470 0.001 0.000 0.232 504 S C 1.531 176.067 174.600 -0.107 0.000 1.025 504 S CA 1.692 59.809 58.200 -0.139 0.000 0.993 504 S CB -0.460 62.684 63.200 -0.093 0.000 0.808 504 S HN 0.335 nan 8.310 nan 0.000 0.478 505 D N 1.709 122.043 120.400 -0.111 0.000 2.084 505 D HA 0.063 4.704 4.640 0.001 0.000 0.196 505 D C 1.983 178.246 176.300 -0.062 0.000 0.985 505 D CA 1.160 55.116 54.000 -0.073 0.000 0.826 505 D CB -0.529 40.231 40.800 -0.066 0.000 0.978 505 D HN 0.366 nan 8.370 nan 0.000 0.456 506 L N 0.246 121.415 121.223 -0.090 0.000 1.971 506 L HA -0.212 4.129 4.340 0.001 0.000 0.215 506 L C 2.611 179.482 176.870 0.002 0.000 1.072 506 L CA 0.991 55.810 54.840 -0.035 0.000 0.758 506 L CB -0.565 41.473 42.059 -0.035 0.000 0.889 506 L HN 0.084 nan 8.230 nan 0.000 0.433 507 L N -0.524 120.685 121.223 -0.023 0.000 2.021 507 L HA -0.309 4.031 4.340 0.001 0.000 0.215 507 L C 2.723 179.602 176.870 0.015 0.000 1.074 507 L CA 1.621 56.477 54.840 0.027 0.000 0.760 507 L CB -0.489 41.573 42.059 0.005 0.000 0.889 507 L HN 0.251 nan 8.230 nan 0.000 0.433 508 K N -0.014 120.381 120.400 -0.008 0.000 1.991 508 K HA -0.182 4.139 4.320 0.001 0.000 0.212 508 K C 1.971 178.573 176.600 0.003 0.000 1.049 508 K CA 1.351 57.636 56.287 -0.004 0.000 0.932 508 K CB -0.346 32.146 32.500 -0.014 0.000 0.717 508 K HN 0.223 nan 8.250 nan 0.000 0.441 509 L N 1.452 122.675 121.223 0.001 0.000 2.349 509 L HA -0.163 4.178 4.340 0.001 0.000 0.220 509 L C 0.666 177.544 176.870 0.014 0.000 1.130 509 L CA 0.873 55.716 54.840 0.006 0.000 0.791 509 L CB -0.549 41.513 42.059 0.005 0.000 0.918 509 L HN 0.231 nan 8.230 nan 0.000 0.444 510 E N 0.253 120.466 120.200 0.022 0.000 2.860 510 E HA 0.168 4.518 4.350 0.001 0.000 0.318 510 E C 0.525 177.136 176.600 0.020 0.000 1.481 510 E CA 0.456 56.872 56.400 0.027 0.000 1.613 510 E CB -0.861 28.864 29.700 0.041 0.000 1.279 510 E HN 0.564 nan 8.360 nan 0.000 0.489 511 H N 0.000 119.079 119.070 0.015 0.000 2.539 511 H HA 0.000 4.556 4.556 0.001 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