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 3e4e_1_A DATA FIRST_RESID 31 DATA SEQUENCE KLPPGPFPLP IIGNLFQLEL KNIPKSFTRL AQRFGPVFTL YVGSQRMVVM DATA SEQUENCE HGYKAVKEAL LDYKDEFSGR GDLPAFHAHR DRGIIFNNGP TWKDIRRFSL DATA SEQUENCE TTLRNYGXXX QGNESRIQRE AHFLLEALRK TQGQPFDPTF LIGCAPCNVI DATA SEQUENCE ADILFRKHFD YNDEKFLRLM YLFNENFHLL STPWLQLYNN FPSFLHYLPG DATA SEQUENCE SHRKVIKNVA EVKEYVSERV KEHHQSLDPN CPRDLTDCLL VEMEKEKHSA DATA SEQUENCE ERLYTMDGIT VTVADLFFAG TETTSTTLRY GLLILMKYPE IEEKLHEEID DATA SEQUENCE RVIGPSRIPA IKDRQEMPYM DAVVHEIQRF ITLVPSNLPH EATRDTIFRG DATA SEQUENCE YLIPKGTVVV PTLDSVLYDN QEFPDPEKFK PEHFLNENGK FKYSDYFKPF DATA SEQUENCE STGKRVCAGE GLARMELFLL LCAILQHFNL KPLVDPKDID LSPIHIGFGC DATA SEQUENCE IPPRYKLCVI PRSH 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 31 K HA 0.000 nan 4.320 nan 0.000 0.191 31 K C 0.000 176.729 176.600 0.215 0.000 0.988 31 K CA 0.000 56.375 56.287 0.146 0.000 0.838 31 K CB 0.000 32.577 32.500 0.128 0.000 1.064 32 L N 1.157 122.453 121.223 0.122 0.000 2.453 32 L HA 0.324 4.663 4.340 -0.001 0.000 0.261 32 L C -2.117 174.677 176.870 -0.126 0.000 1.179 32 L CA -1.820 53.042 54.840 0.035 0.000 0.813 32 L CB 0.135 42.190 42.059 -0.007 0.000 1.110 32 L HN 0.413 nan 8.230 nan 0.000 0.466 33 P HA -0.019 nan 4.420 nan 0.000 0.266 33 P C -2.411 174.620 177.300 -0.448 0.000 1.186 33 P CA -0.561 61.967 63.100 -0.954 0.000 0.767 33 P CB -0.259 31.062 31.700 -0.632 0.000 0.820 34 P HA 0.293 nan 4.420 nan 0.000 0.272 34 P C -0.206 176.923 177.300 -0.285 0.000 1.240 34 P CA 0.218 63.238 63.100 -0.132 0.000 0.791 34 P CB 0.788 32.529 31.700 0.069 0.000 0.978 35 G N 0.087 108.597 108.800 -0.483 0.000 2.489 35 G HA2 0.454 4.413 3.960 -0.001 0.000 0.291 35 G HA3 0.454 4.413 3.960 -0.001 0.000 0.291 35 G C -3.288 171.186 174.900 -0.711 0.000 1.487 35 G CA -0.909 43.675 45.100 -0.860 0.000 0.795 35 G HN 0.366 nan 8.290 nan 0.000 0.513 36 P HA 0.304 nan 4.420 nan 0.000 0.272 36 P C -0.728 176.640 177.300 0.113 0.000 1.230 36 P CA -0.436 62.620 63.100 -0.073 0.000 0.788 36 P CB 0.827 32.551 31.700 0.041 0.000 0.949 37 F N 4.551 124.507 119.950 0.008 0.000 2.471 37 F HA 0.288 4.814 4.527 -0.001 0.000 0.365 37 F C -2.085 173.713 175.800 -0.004 0.000 1.095 37 F CA -3.499 54.499 58.000 -0.003 0.000 1.174 37 F CB -0.503 38.504 39.000 0.011 0.000 1.105 37 F HN 0.161 nan 8.300 nan 0.000 0.535 38 P HA 0.188 nan 4.420 nan 0.000 0.272 38 P C -0.786 176.415 177.300 -0.164 0.000 1.230 38 P CA -0.214 62.888 63.100 0.004 0.000 0.788 38 P CB 1.382 33.002 31.700 -0.135 0.000 0.949 39 L N 1.715 122.871 121.223 -0.112 0.000 2.330 39 L HA 0.435 4.774 4.340 -0.001 0.000 0.271 39 L C -2.190 174.647 176.870 -0.056 0.000 1.013 39 L CA -2.639 52.123 54.840 -0.130 0.000 0.816 39 L CB 1.461 43.491 42.059 -0.049 0.000 1.287 39 L HN 0.160 nan 8.230 nan 0.000 0.435 40 P HA 0.038 nan 4.420 nan 0.000 0.264 40 P C 0.671 177.981 177.300 0.017 0.000 1.183 40 P CA 0.209 63.305 63.100 -0.006 0.000 0.763 40 P CB 0.373 32.071 31.700 -0.002 0.000 0.807 41 I N 0.810 121.410 120.570 0.050 0.000 4.407 41 I HA -0.342 3.827 4.170 -0.001 0.000 0.066 41 I C 1.553 177.759 176.117 0.148 0.000 0.591 41 I CA 2.187 63.544 61.300 0.094 0.000 1.050 41 I CB -1.841 36.181 38.000 0.038 0.000 0.939 41 I HN 0.471 nan 8.210 nan 0.000 0.169 42 I N -0.607 120.016 120.570 0.088 0.000 3.603 42 I HA 0.498 4.667 4.170 -0.001 0.000 0.297 42 I C 1.615 177.829 176.117 0.161 0.000 1.269 42 I CA 0.907 62.300 61.300 0.155 0.000 1.361 42 I CB 0.124 38.094 38.000 -0.050 0.000 1.063 42 I HN 0.598 nan 8.210 nan 0.000 0.448 43 G N 2.940 111.797 108.800 0.095 0.000 2.596 43 G HA2 -0.406 3.553 3.960 -0.001 0.000 0.304 43 G HA3 -0.406 3.553 3.960 -0.001 0.000 0.304 43 G C 0.286 175.248 174.900 0.103 0.000 1.189 43 G CA 0.841 45.997 45.100 0.094 0.000 0.986 43 G HN 0.561 nan 8.290 nan 0.000 0.548 44 N N 0.525 119.311 118.700 0.144 0.000 2.235 44 N HA 0.344 5.083 4.740 -0.001 0.000 0.209 44 N C 1.800 177.385 175.510 0.125 0.000 1.122 44 N CA 0.123 53.257 53.050 0.140 0.000 0.845 44 N CB 0.287 38.870 38.487 0.161 0.000 1.004 44 N HN 0.409 nan 8.380 nan 0.000 0.499 45 L N -0.096 121.179 121.223 0.088 0.000 2.197 45 L HA -0.128 4.211 4.340 -0.001 0.000 0.215 45 L C 1.009 177.858 176.870 -0.036 0.000 1.095 45 L CA 1.674 56.520 54.840 0.009 0.000 0.764 45 L CB -0.360 41.666 42.059 -0.056 0.000 0.897 45 L HN 0.196 nan 8.230 nan 0.000 0.436 46 F N -1.189 118.766 119.950 0.008 0.000 2.615 46 F HA -0.034 4.492 4.527 -0.001 0.000 0.297 46 F C 2.164 177.966 175.800 0.003 0.000 1.124 46 F CA 0.535 58.531 58.000 -0.008 0.000 1.451 46 F CB -0.215 38.771 39.000 -0.022 0.000 1.103 46 F HN 0.154 nan 8.300 nan 0.000 0.569 47 Q N 0.025 119.945 119.800 0.199 0.000 2.403 47 Q HA 0.203 4.542 4.340 -0.001 0.000 0.203 47 Q C -0.587 175.466 176.000 0.089 0.000 0.932 47 Q CA 0.431 56.313 55.803 0.132 0.000 0.945 47 Q CB 0.081 28.892 28.738 0.123 0.000 1.045 47 Q HN 0.268 nan 8.270 nan 0.000 0.511 48 L N 0.836 122.098 121.223 0.065 0.000 2.343 48 L HA 0.374 4.713 4.340 -0.001 0.000 0.278 48 L C -0.342 176.519 176.870 -0.016 0.000 0.996 48 L CA -0.778 54.066 54.840 0.007 0.000 0.831 48 L CB 1.801 43.856 42.059 -0.007 0.000 1.232 48 L HN 0.013 nan 8.230 nan 0.000 0.413 49 E N 2.764 122.946 120.200 -0.030 0.000 2.220 49 E HA 0.082 4.432 4.350 -0.001 0.000 0.272 49 E C 0.360 176.925 176.600 -0.058 0.000 1.099 49 E CA -0.454 55.927 56.400 -0.031 0.000 0.907 49 E CB 0.907 30.592 29.700 -0.025 0.000 1.022 49 E HN 0.533 nan 8.360 nan 0.000 0.428 50 L N 5.226 126.422 121.223 -0.046 0.000 2.201 50 L HA -0.110 4.229 4.340 -0.001 0.000 0.212 50 L C 2.014 178.859 176.870 -0.042 0.000 1.105 50 L CA 1.373 56.181 54.840 -0.052 0.000 0.775 50 L CB -0.282 41.752 42.059 -0.042 0.000 0.913 50 L HN 0.569 nan 8.230 nan 0.000 0.440 51 K N -0.549 119.837 120.400 -0.022 0.000 2.362 51 K HA -0.059 4.261 4.320 -0.001 0.000 0.200 51 K C 0.452 177.034 176.600 -0.030 0.000 1.046 51 K CA 0.593 56.877 56.287 -0.005 0.000 0.952 51 K CB -0.041 32.467 32.500 0.012 0.000 0.753 51 K HN 0.134 nan 8.250 nan 0.000 0.466 52 N N 0.513 119.174 118.700 -0.065 0.000 2.679 52 N HA 0.052 4.792 4.740 -0.001 0.000 0.240 52 N C 0.393 175.807 175.510 -0.160 0.000 1.537 52 N CA -0.026 52.968 53.050 -0.092 0.000 0.793 52 N CB 0.254 38.703 38.487 -0.064 0.000 1.391 52 N HN -0.157 nan 8.380 nan 0.000 0.524 53 I N 1.149 121.580 120.570 -0.232 0.000 2.118 53 I HA -0.113 4.057 4.170 -0.001 0.000 0.241 53 I C -0.670 175.099 176.117 -0.579 0.000 1.070 53 I CA 1.176 62.202 61.300 -0.457 0.000 1.327 53 I CB -1.915 35.789 38.000 -0.494 0.000 1.034 53 I HN 0.276 nan 8.210 nan 0.000 0.405 54 P HA -0.196 nan 4.420 nan 0.000 0.217 54 P C 1.770 179.049 177.300 -0.036 0.000 1.148 54 P CA 1.626 64.643 63.100 -0.137 0.000 0.828 54 P CB -0.120 31.537 31.700 -0.071 0.000 0.783 55 K N -0.553 119.801 120.400 -0.078 0.000 2.155 55 K HA -0.049 4.271 4.320 -0.001 0.000 0.203 55 K C 1.993 178.588 176.600 -0.008 0.000 1.052 55 K CA 1.233 57.506 56.287 -0.023 0.000 0.948 55 K CB -0.236 32.243 32.500 -0.035 0.000 0.728 55 K HN -0.023 nan 8.250 nan 0.000 0.448 56 S N 0.766 116.429 115.700 -0.062 0.000 2.356 56 S HA -0.098 4.371 4.470 -0.001 0.000 0.223 56 S C 1.598 176.274 174.600 0.128 0.000 1.032 56 S CA 1.077 59.267 58.200 -0.018 0.000 1.005 56 S CB -0.326 62.824 63.200 -0.083 0.000 0.867 56 S HN 0.225 nan 8.310 nan 0.000 0.449 57 F N 2.322 122.316 119.950 0.072 0.000 2.043 57 F HA -0.159 4.367 4.527 -0.001 0.000 0.297 57 F C 2.876 178.644 175.800 -0.052 0.000 1.121 57 F CA 1.140 59.236 58.000 0.161 0.000 1.199 57 F CB -1.879 37.248 39.000 0.212 0.000 0.968 57 F HN 0.155 nan 8.300 nan 0.000 0.478 58 T N 0.283 114.907 114.554 0.117 0.000 2.653 58 T HA -0.258 4.092 4.350 -0.001 0.000 0.268 58 T C 2.278 176.903 174.700 -0.126 0.000 1.035 58 T CA 1.609 63.625 62.100 -0.139 0.000 1.154 58 T CB -0.270 68.690 68.868 0.152 0.000 0.862 58 T HN 0.092 nan 8.240 nan 0.000 0.441 59 R N 0.732 121.210 120.500 -0.036 0.000 2.080 59 R HA -0.029 4.311 4.340 -0.001 0.000 0.236 59 R C 2.501 178.734 176.300 -0.111 0.000 1.137 59 R CA 1.394 57.463 56.100 -0.052 0.000 0.943 59 R CB -0.828 29.460 30.300 -0.021 0.000 0.846 59 R HN 0.415 nan 8.270 nan 0.000 0.431 60 L N 0.356 121.494 121.223 -0.140 0.000 2.127 60 L HA -0.189 4.151 4.340 -0.001 0.000 0.211 60 L C 2.710 179.323 176.870 -0.428 0.000 1.089 60 L CA 1.499 56.143 54.840 -0.327 0.000 0.757 60 L CB -0.543 41.098 42.059 -0.696 0.000 0.899 60 L HN 0.248 nan 8.230 nan 0.000 0.434 61 A N -0.640 122.001 122.820 -0.298 0.000 1.930 61 A HA -0.181 4.138 4.320 -0.001 0.000 0.217 61 A C 2.239 179.782 177.584 -0.068 0.000 1.175 61 A CA 1.064 53.041 52.037 -0.099 0.000 0.627 61 A CB -0.293 18.559 19.000 -0.247 0.000 0.815 61 A HN 0.411 nan 8.150 nan 0.000 0.443 62 Q N -0.469 119.270 119.800 -0.102 0.000 2.234 62 Q HA -0.177 4.163 4.340 -0.001 0.000 0.206 62 Q C 1.988 177.903 176.000 -0.142 0.000 0.980 62 Q CA 1.795 57.552 55.803 -0.077 0.000 0.869 62 Q CB -0.381 28.316 28.738 -0.069 0.000 0.912 62 Q HN 0.786 nan 8.270 nan 0.000 0.436 63 R N -1.152 119.198 120.500 -0.250 0.000 2.156 63 R HA 0.071 4.410 4.340 -0.001 0.000 0.207 63 R C 0.686 176.599 176.300 -0.645 0.000 1.040 63 R CA 0.455 56.244 56.100 -0.519 0.000 1.013 63 R CB 0.406 30.273 30.300 -0.722 0.000 0.931 63 R HN 0.140 nan 8.270 nan 0.000 0.465 64 F N -0.729 119.147 119.950 -0.124 0.000 2.798 64 F HA 0.425 4.952 4.527 -0.001 0.000 0.328 64 F C 0.716 176.536 175.800 0.033 0.000 1.098 64 F CA 0.347 58.308 58.000 -0.066 0.000 1.172 64 F CB 1.487 40.400 39.000 -0.144 0.000 1.072 64 F HN 0.208 nan 8.300 nan 0.000 0.555 65 G N 1.696 110.603 108.800 0.178 0.000 2.660 65 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.247 65 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.247 65 G C -2.125 172.946 174.900 0.286 0.000 1.328 65 G CA -0.369 44.848 45.100 0.196 0.000 0.884 65 G HN -0.045 nan 8.290 nan 0.000 0.531 66 P HA 0.188 nan 4.420 nan 0.000 0.233 66 P C 0.363 177.758 177.300 0.158 0.000 1.167 66 P CA 1.181 64.427 63.100 0.245 0.000 0.770 66 P CB 0.214 32.033 31.700 0.199 0.000 0.837 67 V N 1.439 121.448 119.914 0.158 0.000 2.577 67 V HA 0.548 4.667 4.120 -0.001 0.000 0.303 67 V C -0.492 175.591 176.094 -0.018 0.000 1.042 67 V CA -0.752 61.525 62.300 -0.038 0.000 0.872 67 V CB 1.465 33.341 31.823 0.089 0.000 0.998 67 V HN 0.079 nan 8.190 nan 0.000 0.423 68 F N 0.874 120.683 119.950 -0.235 0.000 2.693 68 F HA 0.848 5.374 4.527 -0.001 0.000 0.309 68 F C -0.615 174.980 175.800 -0.342 0.000 1.129 68 F CA -0.791 57.036 58.000 -0.289 0.000 0.948 68 F CB 1.580 40.448 39.000 -0.221 0.000 1.315 68 F HN 0.262 nan 8.300 nan 0.000 0.447 69 T N 3.138 117.662 114.554 -0.050 0.000 2.859 69 T HA 0.713 5.063 4.350 -0.001 0.000 0.281 69 T C -1.525 173.141 174.700 -0.056 0.000 1.005 69 T CA -0.396 61.600 62.100 -0.173 0.000 1.025 69 T CB 1.453 70.196 68.868 -0.209 0.000 0.977 69 T HN 0.614 nan 8.240 nan 0.000 0.458 70 L N 3.160 124.289 121.223 -0.155 0.000 2.408 70 L HA 0.503 4.842 4.340 -0.001 0.000 0.268 70 L C -1.620 175.128 176.870 -0.203 0.000 0.986 70 L CA -0.777 54.048 54.840 -0.025 0.000 0.820 70 L CB 1.537 43.642 42.059 0.076 0.000 1.303 70 L HN 0.665 nan 8.230 nan 0.000 0.411 71 Y N 3.726 124.023 120.300 -0.004 0.000 2.353 71 Y HA 0.561 5.110 4.550 -0.001 0.000 0.340 71 Y C 0.052 175.938 175.900 -0.023 0.000 0.972 71 Y CA -0.835 57.251 58.100 -0.023 0.000 1.157 71 Y CB 1.814 40.268 38.460 -0.010 0.000 1.157 71 Y HN 0.314 nan 8.280 nan 0.000 0.495 72 V N 5.251 125.182 119.914 0.027 0.000 2.313 72 V HA 0.783 4.902 4.120 -0.001 0.000 0.278 72 V C 0.444 176.369 176.094 -0.282 0.000 1.017 72 V CA 0.455 62.732 62.300 -0.040 0.000 0.823 72 V CB 0.193 32.011 31.823 -0.008 0.000 1.010 72 V HN 1.057 nan 8.190 nan 0.000 0.443 73 G N 5.922 114.520 108.800 -0.337 0.000 2.583 73 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.292 73 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.292 73 G C 0.909 175.708 174.900 -0.167 0.000 1.203 73 G CA 0.917 45.644 45.100 -0.622 0.000 0.987 73 G HN 2.011 nan 8.290 nan 0.000 0.554 74 S N -0.480 115.124 115.700 -0.160 0.000 2.539 74 S HA 0.442 4.912 4.470 -0.001 0.000 0.221 74 S C 0.715 175.325 174.600 0.016 0.000 0.987 74 S CA 1.141 59.345 58.200 0.007 0.000 0.929 74 S CB 0.794 64.015 63.200 0.034 0.000 0.832 74 S HN 0.856 nan 8.310 nan 0.000 0.492 75 Q N 3.191 122.941 119.800 -0.083 0.000 2.293 75 Q HA 0.314 4.653 4.340 -0.001 0.000 0.263 75 Q C -0.171 175.754 176.000 -0.125 0.000 1.002 75 Q CA -0.072 55.674 55.803 -0.095 0.000 0.910 75 Q CB 0.644 29.300 28.738 -0.137 0.000 1.185 75 Q HN 0.475 nan 8.270 nan 0.000 0.401 76 R N 3.934 124.324 120.500 -0.183 0.000 2.390 76 R HA 0.488 4.827 4.340 -0.001 0.000 0.291 76 R C -0.888 175.193 176.300 -0.366 0.000 1.070 76 R CA -0.139 55.692 56.100 -0.449 0.000 1.014 76 R CB 0.582 30.598 30.300 -0.474 0.000 1.007 76 R HN 0.794 nan 8.270 nan 0.000 0.466 77 M N 4.520 123.858 119.600 -0.436 0.000 2.326 77 M HA 0.320 4.800 4.480 -0.001 0.000 0.292 77 M C -1.710 174.336 176.300 -0.425 0.000 1.081 77 M CA -0.817 54.271 55.300 -0.354 0.000 0.919 77 M CB 2.214 34.661 32.600 -0.256 0.000 1.634 77 M HN 0.349 nan 8.290 nan 0.000 0.451 78 V N 4.951 124.580 119.914 -0.475 0.000 2.435 78 V HA 0.569 4.688 4.120 -0.001 0.000 0.290 78 V C -0.680 174.970 176.094 -0.741 0.000 1.030 78 V CA -0.717 61.233 62.300 -0.584 0.000 0.881 78 V CB 1.784 33.270 31.823 -0.561 0.000 0.983 78 V HN 0.638 nan 8.190 nan 0.000 0.445 79 V N 6.075 125.381 119.914 -1.013 0.000 2.417 79 V HA 0.516 4.635 4.120 -0.001 0.000 0.291 79 V C -0.159 175.350 176.094 -0.976 0.000 1.024 79 V CA -0.509 61.081 62.300 -1.184 0.000 0.861 79 V CB 1.638 32.369 31.823 -1.819 0.000 0.985 79 V HN 0.830 nan 8.190 nan 0.000 0.436 80 M N 4.853 124.063 119.600 -0.650 0.000 2.268 80 M HA 0.490 4.970 4.480 -0.001 0.000 0.344 80 M C -0.538 175.645 176.300 -0.194 0.000 1.106 80 M CA 0.028 55.098 55.300 -0.382 0.000 1.010 80 M CB 1.027 33.414 32.600 -0.354 0.000 1.649 80 M HN 0.656 nan 8.290 nan 0.000 0.443 81 H N 1.707 120.693 119.070 -0.139 0.000 2.689 81 H HA 0.700 5.255 4.556 -0.001 0.000 0.346 81 H C -0.393 174.967 175.328 0.053 0.000 1.037 81 H CA 0.250 56.288 56.048 -0.016 0.000 1.234 81 H CB 1.470 31.285 29.762 0.088 0.000 1.572 81 H HN 0.829 nan 8.280 nan 0.000 0.524 82 G N 3.151 111.869 108.800 -0.138 0.000 2.587 82 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.686 82 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.686 82 G C -0.322 174.623 174.900 0.075 0.000 1.236 82 G CA 0.000 45.119 45.100 0.031 0.000 0.820 82 G HN 0.665 nan 8.290 nan 0.000 0.645 83 Y N 0.983 121.278 120.300 -0.008 0.000 2.263 83 Y HA 0.015 4.564 4.550 -0.001 0.000 0.292 83 Y C 2.696 178.549 175.900 -0.079 0.000 1.130 83 Y CA 2.587 60.621 58.100 -0.111 0.000 1.179 83 Y CB -0.077 38.191 38.460 -0.320 0.000 0.998 83 Y HN 0.724 nan 8.280 nan 0.000 0.532 84 K N 0.499 120.909 120.400 0.015 0.000 1.985 84 K HA -0.161 4.158 4.320 -0.001 0.000 0.210 84 K C 2.313 178.873 176.600 -0.066 0.000 1.047 84 K CA 1.603 57.845 56.287 -0.075 0.000 0.932 84 K CB -0.614 31.921 32.500 0.058 0.000 0.716 84 K HN 0.338 nan 8.250 nan 0.000 0.439 85 A N 0.455 123.296 122.820 0.035 0.000 1.883 85 A HA -0.128 4.191 4.320 -0.001 0.000 0.217 85 A C 2.300 179.897 177.584 0.022 0.000 1.186 85 A CA 1.909 54.014 52.037 0.114 0.000 0.624 85 A CB -0.825 18.259 19.000 0.140 0.000 0.822 85 A HN 0.193 nan 8.150 nan 0.000 0.444 86 V N 0.108 119.970 119.914 -0.086 0.000 2.261 86 V HA -0.284 3.836 4.120 -0.001 0.000 0.246 86 V C 2.500 178.497 176.094 -0.162 0.000 1.047 86 V CA 2.365 64.577 62.300 -0.147 0.000 1.015 86 V CB -0.713 31.021 31.823 -0.148 0.000 0.642 86 V HN 0.593 nan 8.190 nan 0.000 0.446 87 K N -0.056 120.167 120.400 -0.294 0.000 2.015 87 K HA -0.285 4.035 4.320 -0.001 0.000 0.216 87 K C 2.237 178.791 176.600 -0.076 0.000 1.052 87 K CA 2.303 58.410 56.287 -0.300 0.000 0.937 87 K CB -0.294 31.820 32.500 -0.643 0.000 0.719 87 K HN 0.524 nan 8.250 nan 0.000 0.446 88 E N -0.581 119.625 120.200 0.010 0.000 2.147 88 E HA -0.260 4.090 4.350 -0.001 0.000 0.199 88 E C 1.816 178.678 176.600 0.437 0.000 1.005 88 E CA 1.428 57.962 56.400 0.224 0.000 0.810 88 E CB -0.104 29.772 29.700 0.294 0.000 0.736 88 E HN 0.433 nan 8.360 nan 0.000 0.460 89 A N 0.254 123.267 122.820 0.321 0.000 1.898 89 A HA -0.087 4.232 4.320 -0.001 0.000 0.214 89 A C 1.978 179.723 177.584 0.268 0.000 1.183 89 A CA 0.698 52.921 52.037 0.310 0.000 0.622 89 A CB -0.126 18.798 19.000 -0.127 0.000 0.824 89 A HN 0.108 nan 8.150 nan 0.000 0.444 90 L N -0.779 120.490 121.223 0.076 0.000 2.179 90 L HA 0.149 4.489 4.340 -0.001 0.000 0.208 90 L C 2.123 179.050 176.870 0.094 0.000 1.096 90 L CA 1.297 56.161 54.840 0.041 0.000 0.779 90 L CB -0.569 41.461 42.059 -0.048 0.000 0.922 90 L HN 0.341 nan 8.230 nan 0.000 0.443 91 L N -1.877 119.396 121.223 0.084 0.000 2.467 91 L HA 0.053 4.392 4.340 -0.001 0.000 0.213 91 L C 1.665 178.563 176.870 0.048 0.000 1.053 91 L CA 0.169 55.043 54.840 0.057 0.000 0.847 91 L CB 0.061 42.131 42.059 0.019 0.000 1.075 91 L HN 0.098 nan 8.230 nan 0.000 0.479 92 D N -0.373 120.077 120.400 0.082 0.000 2.183 92 D HA -0.084 4.556 4.640 -0.001 0.000 0.205 92 D C 0.457 176.644 176.300 -0.187 0.000 0.962 92 D CA 1.292 55.268 54.000 -0.040 0.000 0.849 92 D CB 0.114 40.905 40.800 -0.016 0.000 0.978 92 D HN 0.213 nan 8.370 nan 0.000 0.488 93 Y N 0.793 121.094 120.300 0.002 0.000 2.783 93 Y HA 0.188 4.738 4.550 -0.001 0.000 0.382 93 Y C 1.206 177.032 175.900 -0.122 0.000 1.076 93 Y CA -0.539 57.469 58.100 -0.154 0.000 1.530 93 Y CB 0.237 38.469 38.460 -0.380 0.000 1.546 93 Y HN -0.094 nan 8.280 nan 0.000 0.537 94 K N -1.697 118.727 120.400 0.041 0.000 2.432 94 K HA -0.034 4.285 4.320 -0.001 0.000 0.196 94 K C 0.467 177.115 176.600 0.081 0.000 1.038 94 K CA 1.396 57.735 56.287 0.087 0.000 0.986 94 K CB 0.349 32.895 32.500 0.077 0.000 0.782 94 K HN 0.312 nan 8.250 nan 0.000 0.485 95 D N 0.628 121.040 120.400 0.021 0.000 2.454 95 D HA 0.005 4.644 4.640 -0.001 0.000 0.219 95 D C 0.863 177.160 176.300 -0.006 0.000 1.081 95 D CA 0.373 54.392 54.000 0.031 0.000 0.867 95 D CB 0.563 41.380 40.800 0.027 0.000 1.054 95 D HN 0.238 nan 8.370 nan 0.000 0.500 96 E N -0.058 120.079 120.200 -0.105 0.000 2.216 96 E HA -0.015 4.334 4.350 -0.001 0.000 0.192 96 E C 0.492 177.061 176.600 -0.052 0.000 0.988 96 E CA 0.656 56.942 56.400 -0.189 0.000 0.834 96 E CB 0.034 29.485 29.700 -0.415 0.000 0.772 96 E HN 0.162 nan 8.360 nan 0.000 0.479 97 F N -0.085 119.905 119.950 0.066 0.000 2.791 97 F HA 0.265 4.791 4.527 -0.001 0.000 0.308 97 F C 0.787 176.656 175.800 0.114 0.000 1.138 97 F CA -0.765 57.261 58.000 0.044 0.000 1.294 97 F CB -0.122 38.871 39.000 -0.012 0.000 0.975 97 F HN -0.106 nan 8.300 nan 0.000 0.512 98 S N -1.685 114.101 115.700 0.143 0.000 2.556 98 S HA 0.293 4.763 4.470 -0.001 0.000 0.216 98 S C 1.241 175.623 174.600 -0.363 0.000 0.970 98 S CA -0.147 58.010 58.200 -0.071 0.000 0.912 98 S CB -0.150 63.043 63.200 -0.011 0.000 0.790 98 S HN 0.240 nan 8.310 nan 0.000 0.504 99 G N 1.663 110.339 108.800 -0.207 0.000 2.554 99 G HA2 0.370 4.329 3.960 -0.001 0.000 0.238 99 G HA3 0.370 4.329 3.960 -0.001 0.000 0.238 99 G C -0.297 174.389 174.900 -0.358 0.000 1.259 99 G CA -0.595 44.346 45.100 -0.266 0.000 0.843 99 G HN 0.358 nan 8.290 nan 0.000 0.582 100 R N 1.077 121.367 120.500 -0.350 0.000 2.246 100 R HA 0.488 4.828 4.340 -0.001 0.000 0.332 100 R C 0.778 177.002 176.300 -0.127 0.000 0.974 100 R CA -0.100 55.826 56.100 -0.291 0.000 0.837 100 R CB 0.415 30.532 30.300 -0.306 0.000 1.145 100 R HN 0.660 nan 8.270 nan 0.000 0.467 101 G N 2.853 111.597 108.800 -0.092 0.000 2.474 101 G HA2 -0.066 3.893 3.960 -0.001 0.000 0.233 101 G HA3 -0.066 3.893 3.960 -0.001 0.000 0.233 101 G C -0.390 174.525 174.900 0.024 0.000 1.278 101 G CA -0.280 44.797 45.100 -0.038 0.000 0.861 101 G HN 0.745 nan 8.290 nan 0.000 0.567 102 D N -0.454 119.964 120.400 0.031 0.000 2.361 102 D HA 0.288 4.928 4.640 -0.001 0.000 0.239 102 D C -0.055 176.279 176.300 0.057 0.000 1.200 102 D CA -0.214 53.829 54.000 0.071 0.000 0.915 102 D CB 0.773 41.617 40.800 0.074 0.000 1.170 102 D HN 0.095 nan 8.370 nan 0.000 0.444 103 L N 3.754 124.995 121.223 0.030 0.000 2.409 103 L HA 0.244 4.583 4.340 -0.001 0.000 0.262 103 L C -2.227 174.545 176.870 -0.164 0.000 1.346 103 L CA -1.326 53.534 54.840 0.033 0.000 0.848 103 L CB 1.108 43.321 42.059 0.257 0.000 1.006 103 L HN 0.286 nan 8.230 nan 0.000 0.505 104 P HA -0.214 nan 4.420 nan 0.000 0.219 104 P C 1.509 178.662 177.300 -0.245 0.000 1.153 104 P CA 2.436 65.152 63.100 -0.639 0.000 0.865 104 P CB 0.386 31.806 31.700 -0.467 0.000 0.788 105 A N -2.756 120.067 122.820 0.005 0.000 2.121 105 A HA -0.093 4.227 4.320 -0.001 0.000 0.218 105 A C 1.362 178.725 177.584 -0.367 0.000 1.154 105 A CA 1.075 53.076 52.037 -0.059 0.000 0.679 105 A CB -1.255 17.690 19.000 -0.092 0.000 0.795 105 A HN 0.156 nan 8.150 nan 0.000 0.458 106 F N -1.038 118.719 119.950 -0.322 0.000 2.850 106 F HA 0.279 4.805 4.527 -0.001 0.000 0.306 106 F C 1.401 177.052 175.800 -0.248 0.000 1.162 106 F CA -0.626 57.080 58.000 -0.489 0.000 1.327 106 F CB -0.356 37.972 39.000 -1.119 0.000 0.953 106 F HN 0.347 nan 8.300 nan 0.000 0.507 107 H N -0.583 118.497 119.070 0.017 0.000 2.352 107 H HA -0.170 4.385 4.556 -0.001 0.000 0.299 107 H C 2.351 177.741 175.328 0.102 0.000 1.097 107 H CA 1.029 57.112 56.048 0.058 0.000 1.311 107 H CB 0.325 30.111 29.762 0.040 0.000 1.377 107 H HN 0.345 nan 8.280 nan 0.000 0.504 108 A N 0.261 123.217 122.820 0.227 0.000 2.139 108 A HA -0.228 4.091 4.320 -0.001 0.000 0.221 108 A C 1.505 179.287 177.584 0.330 0.000 1.159 108 A CA 1.711 53.889 52.037 0.234 0.000 0.662 108 A CB -0.513 18.608 19.000 0.201 0.000 0.796 108 A HN 0.628 nan 8.150 nan 0.000 0.463 109 H N -2.414 116.762 119.070 0.175 0.000 2.740 109 H HA 0.124 4.680 4.556 -0.001 0.000 0.265 109 H C 0.822 176.291 175.328 0.235 0.000 0.978 109 H CA -0.274 55.909 56.048 0.224 0.000 1.198 109 H CB 0.281 30.210 29.762 0.279 0.000 1.467 109 H HN 0.442 nan 8.280 nan 0.000 0.511 110 R N 2.069 122.771 120.500 0.337 0.000 2.537 110 R HA -0.109 4.230 4.340 -0.001 0.000 0.281 110 R C -0.276 176.156 176.300 0.220 0.000 0.988 110 R CA 0.604 56.885 56.100 0.302 0.000 1.077 110 R CB -0.080 30.415 30.300 0.324 0.000 0.932 110 R HN 0.190 nan 8.270 nan 0.000 0.409 111 D N 1.264 121.788 120.400 0.206 0.000 3.012 111 D HA -0.204 4.436 4.640 -0.001 0.000 0.222 111 D C -0.615 175.768 176.300 0.139 0.000 1.167 111 D CA 1.413 55.500 54.000 0.146 0.000 0.854 111 D CB -0.602 40.258 40.800 0.099 0.000 1.107 111 D HN 0.665 nan 8.370 nan 0.000 0.421 112 R N -1.479 119.126 120.500 0.175 0.000 2.885 112 R HA 0.684 5.024 4.340 -0.001 0.000 0.260 112 R C 1.139 177.552 176.300 0.189 0.000 1.107 112 R CA -0.431 55.753 56.100 0.141 0.000 0.978 112 R CB 0.932 31.295 30.300 0.104 0.000 1.227 112 R HN 0.049 nan 8.270 nan 0.000 0.473 113 G N 0.507 109.394 108.800 0.146 0.000 2.582 113 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.288 113 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.288 113 G C 0.397 175.424 174.900 0.212 0.000 1.247 113 G CA 0.687 45.893 45.100 0.177 0.000 0.972 113 G HN 0.528 nan 8.290 nan 0.000 0.557 114 I N -0.554 120.155 120.570 0.231 0.000 3.873 114 I HA 0.280 4.449 4.170 -0.001 0.000 0.284 114 I C 2.534 178.758 176.117 0.178 0.000 1.186 114 I CA 0.218 61.676 61.300 0.264 0.000 1.362 114 I CB -0.162 37.946 38.000 0.180 0.000 1.432 114 I HN 0.405 nan 8.210 nan 0.000 0.454 115 I N 0.730 121.304 120.570 0.007 0.000 2.286 115 I HA -0.210 3.960 4.170 -0.001 0.000 0.248 115 I C 1.196 176.925 176.117 -0.646 0.000 1.115 115 I CA 1.996 63.032 61.300 -0.440 0.000 1.392 115 I CB -0.070 37.462 38.000 -0.780 0.000 1.065 115 I HN 0.153 nan 8.210 nan 0.000 0.418 116 F N 0.352 120.352 119.950 0.082 0.000 2.724 116 F HA 0.193 4.719 4.527 -0.001 0.000 0.310 116 F C 0.305 176.145 175.800 0.067 0.000 1.107 116 F CA -1.016 57.018 58.000 0.057 0.000 1.218 116 F CB -0.332 38.730 39.000 0.103 0.000 1.042 116 F HN 0.057 nan 8.300 nan 0.000 0.540 117 N N -0.133 118.680 118.700 0.188 0.000 2.434 117 N HA 0.098 4.837 4.740 -0.001 0.000 0.272 117 N C -0.081 175.395 175.510 -0.056 0.000 1.040 117 N CA -0.259 52.866 53.050 0.125 0.000 0.956 117 N CB 0.792 39.390 38.487 0.186 0.000 1.108 117 N HN -0.030 nan 8.380 nan 0.000 0.481 118 N N 0.653 119.329 118.700 -0.039 0.000 2.214 118 N HA 0.210 4.950 4.740 -0.001 0.000 0.214 118 N C 0.173 175.670 175.510 -0.022 0.000 1.132 118 N CA -0.366 52.617 53.050 -0.111 0.000 0.856 118 N CB 0.258 38.709 38.487 -0.060 0.000 1.020 118 N HN 0.710 nan 8.380 nan 0.000 0.509 119 G N -0.290 108.542 108.800 0.054 0.000 2.583 119 G HA2 0.299 4.258 3.960 -0.001 0.000 0.280 119 G HA3 0.299 4.258 3.960 -0.001 0.000 0.280 119 G C -1.788 173.182 174.900 0.117 0.000 1.376 119 G CA -0.876 44.271 45.100 0.078 0.000 1.043 119 G HN 0.036 nan 8.290 nan 0.000 0.538 120 P HA 0.109 nan 4.420 nan 0.000 0.249 120 P C 0.943 178.300 177.300 0.095 0.000 1.241 120 P CA 1.219 64.374 63.100 0.092 0.000 0.781 120 P CB 0.631 32.364 31.700 0.054 0.000 1.088 121 T N -4.846 109.780 114.554 0.120 0.000 3.046 121 T HA 0.044 4.394 4.350 -0.001 0.000 0.270 121 T C 1.088 175.824 174.700 0.059 0.000 0.920 121 T CA -0.398 61.727 62.100 0.041 0.000 0.874 121 T CB -0.706 68.177 68.868 0.026 0.000 1.214 121 T HN -0.022 nan 8.240 nan 0.000 0.536 122 W N 2.834 124.118 121.300 -0.027 0.000 2.379 122 W HA 0.139 4.798 4.660 -0.001 0.000 0.307 122 W C 2.064 178.578 176.519 -0.008 0.000 1.200 122 W CA 1.706 59.042 57.345 -0.015 0.000 1.297 122 W CB -0.083 29.372 29.460 -0.008 0.000 1.140 122 W HN 0.272 nan 8.180 nan 0.000 0.507 123 K N 0.316 120.542 120.400 -0.291 0.000 2.032 123 K HA -0.232 4.087 4.320 -0.001 0.000 0.209 123 K C 1.702 178.017 176.600 -0.475 0.000 1.048 123 K CA 2.362 58.256 56.287 -0.656 0.000 0.927 123 K CB -0.553 31.816 32.500 -0.218 0.000 0.712 123 K HN 0.102 nan 8.250 nan 0.000 0.441 124 D N 0.353 120.611 120.400 -0.236 0.000 2.162 124 D HA -0.066 4.574 4.640 -0.001 0.000 0.203 124 D C 2.107 178.367 176.300 -0.067 0.000 0.967 124 D CA 1.018 54.947 54.000 -0.118 0.000 0.840 124 D CB -0.008 40.756 40.800 -0.060 0.000 0.972 124 D HN 0.308 nan 8.370 nan 0.000 0.482 125 I N 1.126 121.611 120.570 -0.140 0.000 2.179 125 I HA -0.258 3.912 4.170 -0.001 0.000 0.242 125 I C 2.761 178.860 176.117 -0.029 0.000 1.088 125 I CA 0.918 62.184 61.300 -0.057 0.000 1.357 125 I CB -0.230 37.704 38.000 -0.109 0.000 1.051 125 I HN -0.076 nan 8.210 nan 0.000 0.409 126 R N 1.295 121.652 120.500 -0.238 0.000 2.082 126 R HA -0.263 4.076 4.340 -0.001 0.000 0.234 126 R C 2.524 178.730 176.300 -0.156 0.000 1.136 126 R CA 2.225 58.166 56.100 -0.265 0.000 0.935 126 R CB -0.321 29.605 30.300 -0.624 0.000 0.842 126 R HN 0.175 nan 8.270 nan 0.000 0.430 127 R N -0.432 119.959 120.500 -0.181 0.000 2.112 127 R HA -0.226 4.113 4.340 -0.001 0.000 0.242 127 R C 2.198 178.510 176.300 0.020 0.000 1.137 127 R CA 2.298 58.352 56.100 -0.078 0.000 0.944 127 R CB -0.739 29.523 30.300 -0.064 0.000 0.857 127 R HN 0.332 nan 8.270 nan 0.000 0.435 128 F N 1.095 121.025 119.950 -0.032 0.000 2.075 128 F HA -0.180 4.347 4.527 -0.001 0.000 0.297 128 F C 2.285 178.104 175.800 0.031 0.000 1.113 128 F CA 2.108 60.123 58.000 0.026 0.000 1.218 128 F CB -0.695 38.364 39.000 0.099 0.000 0.984 128 F HN 0.030 nan 8.300 nan 0.000 0.472 129 S N 1.115 116.828 115.700 0.021 0.000 2.380 129 S HA -0.252 4.218 4.470 -0.001 0.000 0.229 129 S C 2.172 176.692 174.600 -0.134 0.000 1.043 129 S CA 1.765 59.924 58.200 -0.068 0.000 1.038 129 S CB -0.734 62.487 63.200 0.035 0.000 0.872 129 S HN 0.396 nan 8.310 nan 0.000 0.456 130 L N 0.747 121.908 121.223 -0.103 0.000 1.994 130 L HA -0.157 4.183 4.340 -0.001 0.000 0.208 130 L C 2.719 179.520 176.870 -0.115 0.000 1.071 130 L CA 1.623 56.410 54.840 -0.089 0.000 0.745 130 L CB -1.563 40.456 42.059 -0.067 0.000 0.892 130 L HN 0.364 nan 8.230 nan 0.000 0.431 131 T N -0.979 113.479 114.554 -0.160 0.000 2.684 131 T HA -0.201 4.148 4.350 -0.001 0.000 0.267 131 T C 1.848 176.434 174.700 -0.189 0.000 1.036 131 T CA 2.034 64.036 62.100 -0.164 0.000 1.148 131 T CB -0.530 68.239 68.868 -0.165 0.000 0.863 131 T HN 0.391 nan 8.240 nan 0.000 0.436 132 T N 2.847 117.200 114.554 -0.334 0.000 2.665 132 T HA -0.067 4.283 4.350 -0.001 0.000 0.268 132 T C 2.036 176.770 174.700 0.056 0.000 1.035 132 T CA 1.183 63.165 62.100 -0.197 0.000 1.151 132 T CB -0.702 67.957 68.868 -0.348 0.000 0.862 132 T HN 0.254 nan 8.240 nan 0.000 0.438 133 L N 0.360 121.577 121.223 -0.012 0.000 2.012 133 L HA -0.135 4.204 4.340 -0.001 0.000 0.210 133 L C 3.051 179.954 176.870 0.055 0.000 1.073 133 L CA 1.355 56.218 54.840 0.040 0.000 0.748 133 L CB -0.585 41.468 42.059 -0.009 0.000 0.891 133 L HN 0.105 nan 8.230 nan 0.000 0.431 134 R N 0.313 120.813 120.500 -0.000 0.000 2.113 134 R HA -0.180 4.160 4.340 -0.001 0.000 0.244 134 R C 2.054 178.349 176.300 -0.009 0.000 1.142 134 R CA 1.756 57.849 56.100 -0.010 0.000 0.953 134 R CB -0.962 29.317 30.300 -0.034 0.000 0.860 134 R HN 0.516 nan 8.270 nan 0.000 0.438 135 N N 0.135 118.818 118.700 -0.028 0.000 2.188 135 N HA -0.148 4.592 4.740 -0.001 0.000 0.184 135 N C 1.741 177.155 175.510 -0.159 0.000 1.018 135 N CA 1.237 54.225 53.050 -0.103 0.000 0.858 135 N CB -0.471 37.920 38.487 -0.161 0.000 0.989 135 N HN 0.336 nan 8.380 nan 0.000 0.426 136 Y N 1.043 121.322 120.300 -0.034 0.000 2.509 136 Y HA 0.130 4.680 4.550 -0.001 0.000 0.293 136 Y C 1.980 177.881 175.900 0.000 0.000 1.133 136 Y CA 0.262 58.356 58.100 -0.011 0.000 1.283 136 Y CB -0.451 38.004 38.460 -0.008 0.000 1.001 136 Y HN -0.049 nan 8.280 nan 0.000 0.555 142 G N 0.528 109.352 108.800 0.041 0.000 2.630 142 G HA2 0.182 4.141 3.960 -0.001 0.000 0.223 142 G HA3 0.182 4.141 3.960 -0.001 0.000 0.223 142 G C 0.807 175.754 174.900 0.077 0.000 1.434 142 G CA -0.096 45.035 45.100 0.051 0.000 1.057 142 G HN 0.098 nan 8.290 nan 0.000 0.570 143 N N -0.428 118.317 118.700 0.074 0.000 2.270 143 N HA -0.075 4.664 4.740 -0.001 0.000 0.181 143 N C 1.902 177.466 175.510 0.090 0.000 1.016 143 N CA 0.832 53.934 53.050 0.087 0.000 0.870 143 N CB -0.012 38.519 38.487 0.073 0.000 0.979 143 N HN 0.686 nan 8.380 nan 0.000 0.431 144 E N 0.196 120.441 120.200 0.075 0.000 2.152 144 E HA -0.033 4.316 4.350 -0.001 0.000 0.192 144 E C 1.272 177.921 176.600 0.082 0.000 0.983 144 E CA 0.717 57.165 56.400 0.081 0.000 0.818 144 E CB 0.248 29.988 29.700 0.065 0.000 0.758 144 E HN 0.222 nan 8.360 nan 0.000 0.467 145 S N 0.622 116.366 115.700 0.073 0.000 2.345 145 S HA -0.109 4.361 4.470 -0.001 0.000 0.219 145 S C 1.870 176.522 174.600 0.088 0.000 1.031 145 S CA 0.841 59.081 58.200 0.067 0.000 0.984 145 S CB -0.286 62.947 63.200 0.055 0.000 0.874 145 S HN 0.259 nan 8.310 nan 0.000 0.451 146 R N 1.222 121.786 120.500 0.107 0.000 2.112 146 R HA -0.139 4.201 4.340 -0.001 0.000 0.242 146 R C 2.177 178.574 176.300 0.162 0.000 1.137 146 R CA 1.795 57.979 56.100 0.141 0.000 0.944 146 R CB -0.580 29.810 30.300 0.150 0.000 0.857 146 R HN 0.379 nan 8.270 nan 0.000 0.435 147 I N 0.619 121.280 120.570 0.150 0.000 2.127 147 I HA -0.323 3.847 4.170 -0.001 0.000 0.241 147 I C 2.690 178.894 176.117 0.146 0.000 1.075 147 I CA 1.623 63.019 61.300 0.161 0.000 1.334 147 I CB -0.403 37.686 38.000 0.148 0.000 1.040 147 I HN 0.371 nan 8.210 nan 0.000 0.405 148 Q N 0.036 119.904 119.800 0.114 0.000 2.152 148 Q HA -0.224 4.116 4.340 -0.001 0.000 0.206 148 Q C 2.407 178.441 176.000 0.056 0.000 0.985 148 Q CA 1.433 57.288 55.803 0.086 0.000 0.863 148 Q CB -0.024 28.755 28.738 0.069 0.000 0.904 148 Q HN 0.256 nan 8.270 nan 0.000 0.422 149 R N 0.286 120.819 120.500 0.055 0.000 2.073 149 R HA -0.096 4.244 4.340 -0.001 0.000 0.229 149 R C 1.964 178.264 176.300 -0.001 0.000 1.120 149 R CA 1.100 57.196 56.100 -0.007 0.000 0.967 149 R CB -0.342 29.972 30.300 0.023 0.000 0.862 149 R HN 0.204 nan 8.270 nan 0.000 0.436 150 E N 0.732 121.052 120.200 0.200 0.000 2.070 150 E HA -0.135 4.215 4.350 -0.001 0.000 0.197 150 E C 1.739 178.481 176.600 0.237 0.000 1.004 150 E CA 1.848 58.474 56.400 0.376 0.000 0.805 150 E CB -0.355 29.596 29.700 0.418 0.000 0.744 150 E HN 0.269 nan 8.360 nan 0.000 0.451 151 A N 0.799 123.709 122.820 0.149 0.000 1.958 151 A HA -0.309 4.010 4.320 -0.001 0.000 0.221 151 A C 2.278 179.860 177.584 -0.003 0.000 1.178 151 A CA 2.128 54.225 52.037 0.101 0.000 0.642 151 A CB -1.175 17.880 19.000 0.091 0.000 0.816 151 A HN 0.640 nan 8.150 nan 0.000 0.453 152 H N -1.238 117.706 119.070 -0.211 0.000 2.352 152 H HA -0.167 4.389 4.556 0.000 0.000 0.299 152 H C 1.646 176.769 175.328 -0.341 0.000 1.097 152 H CA 2.147 57.987 56.048 -0.347 0.000 1.311 152 H CB -0.244 29.211 29.762 -0.512 0.000 1.377 152 H HN 0.508 nan 8.280 nan 0.000 0.504 153 F N 0.160 120.022 119.950 -0.147 0.000 2.367 153 F HA -0.026 4.500 4.527 -0.002 0.000 0.298 153 F C 2.510 178.065 175.800 -0.409 0.000 1.094 153 F CA 0.187 57.977 58.000 -0.350 0.000 1.409 153 F CB -0.700 38.172 39.000 -0.213 0.000 1.064 153 F HN 0.128 nan 8.300 nan 0.000 0.528 154 L N 0.366 121.653 121.223 0.107 0.000 2.017 154 L HA -0.157 4.183 4.340 -0.001 0.000 0.208 154 L C 2.041 178.930 176.870 0.032 0.000 1.073 154 L CA 1.818 56.779 54.840 0.201 0.000 0.745 154 L CB -0.838 41.381 42.059 0.266 0.000 0.894 154 L HN 0.128 nan 8.230 nan 0.000 0.432 155 L N -0.879 120.324 121.223 -0.033 0.000 2.141 155 L HA -0.180 4.160 4.340 -0.001 0.000 0.209 155 L C 2.549 179.403 176.870 -0.026 0.000 1.094 155 L CA 1.353 56.198 54.840 0.007 0.000 0.763 155 L CB -0.545 41.463 42.059 -0.085 0.000 0.908 155 L HN 0.435 nan 8.230 nan 0.000 0.437 156 E N 0.498 120.592 120.200 -0.177 0.000 2.031 156 E HA -0.247 4.102 4.350 -0.001 0.000 0.193 156 E C 2.257 178.783 176.600 -0.123 0.000 0.994 156 E CA 1.239 57.537 56.400 -0.171 0.000 0.800 156 E CB 0.006 29.541 29.700 -0.275 0.000 0.752 156 E HN 0.443 nan 8.360 nan 0.000 0.447 157 A N 1.175 123.895 122.820 -0.168 0.000 1.908 157 A HA -0.188 4.132 4.320 -0.001 0.000 0.218 157 A C 2.228 179.713 177.584 -0.165 0.000 1.181 157 A CA 1.271 53.235 52.037 -0.121 0.000 0.627 157 A CB -0.736 18.251 19.000 -0.022 0.000 0.818 157 A HN 0.300 nan 8.150 nan 0.000 0.445 158 L N -1.647 119.459 121.223 -0.196 0.000 2.017 158 L HA -0.198 4.141 4.340 -0.001 0.000 0.208 158 L C 2.815 179.528 176.870 -0.262 0.000 1.073 158 L CA 1.766 56.357 54.840 -0.415 0.000 0.745 158 L CB -0.449 41.197 42.059 -0.688 0.000 0.894 158 L HN 0.335 nan 8.230 nan 0.000 0.432 159 R N 0.431 120.961 120.500 0.050 0.000 2.103 159 R HA -0.220 4.120 4.340 -0.001 0.000 0.242 159 R C 2.207 178.516 176.300 0.015 0.000 1.142 159 R CA 1.480 57.677 56.100 0.162 0.000 0.960 159 R CB -0.134 30.238 30.300 0.120 0.000 0.858 159 R HN -0.003 nan 8.270 nan 0.000 0.439 160 K N -0.467 119.900 120.400 -0.055 0.000 2.360 160 K HA -0.071 4.248 4.320 -0.001 0.000 0.201 160 K C 1.496 178.032 176.600 -0.108 0.000 1.046 160 K CA 1.659 57.906 56.287 -0.067 0.000 0.945 160 K CB -0.073 32.387 32.500 -0.068 0.000 0.750 160 K HN 0.434 nan 8.250 nan 0.000 0.464 161 T N -2.139 112.286 114.554 -0.214 0.000 3.055 161 T HA -0.058 4.292 4.350 -0.001 0.000 0.265 161 T C 0.286 174.927 174.700 -0.099 0.000 1.111 161 T CA 0.013 61.955 62.100 -0.263 0.000 1.118 161 T CB -0.095 68.356 68.868 -0.694 0.000 0.909 161 T HN 0.185 nan 8.240 nan 0.000 0.501 162 Q N 0.327 120.102 119.800 -0.041 0.000 2.463 162 Q HA -0.197 4.142 4.340 -0.001 0.000 0.299 162 Q C 1.192 177.225 176.000 0.056 0.000 1.353 162 Q CA 0.840 56.659 55.803 0.026 0.000 0.828 162 Q CB -2.254 26.498 28.738 0.023 0.000 1.157 162 Q HN 1.122 nan 8.270 nan 0.000 0.436 163 G N -0.597 108.252 108.800 0.080 0.000 2.200 163 G HA2 -0.345 3.615 3.960 -0.001 0.000 0.268 163 G HA3 -0.345 3.615 3.960 -0.001 0.000 0.268 163 G C 0.267 175.241 174.900 0.123 0.000 0.986 163 G CA 0.990 46.163 45.100 0.122 0.000 0.677 163 G HN 0.375 nan 8.290 nan 0.000 0.532 164 Q N 0.157 120.021 119.800 0.105 0.000 2.306 164 Q HA 0.350 4.690 4.340 -0.001 0.000 0.241 164 Q C -2.214 173.922 176.000 0.227 0.000 0.948 164 Q CA -1.933 53.944 55.803 0.125 0.000 0.886 164 Q CB 0.506 29.296 28.738 0.086 0.000 1.227 164 Q HN 0.149 nan 8.270 nan 0.000 0.457 165 P HA -0.036 nan 4.420 nan 0.000 0.261 165 P C -1.009 176.460 177.300 0.281 0.000 1.183 165 P CA 0.688 63.903 63.100 0.191 0.000 0.761 165 P CB -0.062 31.694 31.700 0.093 0.000 0.785 166 F N 0.025 119.968 119.950 -0.012 0.000 2.626 166 F HA 0.591 5.117 4.527 -0.001 0.000 0.311 166 F C -0.678 175.076 175.800 -0.076 0.000 1.088 166 F CA -1.521 56.462 58.000 -0.029 0.000 0.949 166 F CB 1.407 40.393 39.000 -0.022 0.000 1.322 166 F HN 0.007 nan 8.300 nan 0.000 0.461 167 D N 3.565 123.924 120.400 -0.068 0.000 2.347 167 D HA 0.313 4.953 4.640 -0.001 0.000 0.235 167 D C -1.569 174.609 176.300 -0.203 0.000 1.149 167 D CA -2.670 51.174 54.000 -0.260 0.000 0.850 167 D CB 1.568 42.270 40.800 -0.163 0.000 1.061 167 D HN 0.344 nan 8.370 nan 0.000 0.487 168 P HA -0.112 nan 4.420 nan 0.000 0.229 168 P C 1.318 178.501 177.300 -0.194 0.000 1.160 168 P CA 0.619 63.599 63.100 -0.199 0.000 0.777 168 P CB 0.058 31.553 31.700 -0.341 0.000 0.814 169 T N -1.524 112.802 114.554 -0.379 0.000 2.778 169 T HA -0.152 4.197 4.350 -0.001 0.000 0.269 169 T C 1.028 175.378 174.700 -0.584 0.000 1.050 169 T CA 1.161 62.937 62.100 -0.540 0.000 1.137 169 T CB -0.973 67.447 68.868 -0.746 0.000 0.860 169 T HN 0.076 nan 8.240 nan 0.000 0.468 170 F N -0.276 119.631 119.950 -0.072 0.000 2.668 170 F HA 0.479 5.005 4.527 -0.001 0.000 0.301 170 F C 1.369 177.133 175.800 -0.060 0.000 1.106 170 F CA -0.679 57.263 58.000 -0.097 0.000 1.289 170 F CB 0.330 39.271 39.000 -0.098 0.000 1.006 170 F HN 0.146 nan 8.300 nan 0.000 0.535 171 L N 0.195 121.502 121.223 0.140 0.000 2.379 171 L HA 0.084 4.423 4.340 -0.001 0.000 0.190 171 L C 2.285 179.229 176.870 0.123 0.000 1.111 171 L CA 0.673 55.620 54.840 0.179 0.000 0.820 171 L CB -0.077 42.141 42.059 0.264 0.000 1.046 171 L HN 0.184 nan 8.230 nan 0.000 0.485 172 I N -1.162 119.473 120.570 0.108 0.000 2.493 172 I HA 0.005 4.174 4.170 -0.001 0.000 0.254 172 I C 2.098 178.234 176.117 0.032 0.000 1.160 172 I CA 1.676 63.032 61.300 0.093 0.000 1.445 172 I CB -1.168 36.885 38.000 0.088 0.000 1.086 172 I HN 0.160 nan 8.210 nan 0.000 0.433 173 G N 0.391 109.173 108.800 -0.030 0.000 2.422 173 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.218 173 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.218 173 G C 1.516 176.360 174.900 -0.093 0.000 1.146 173 G CA 1.001 46.069 45.100 -0.054 0.000 0.769 173 G HN 0.592 nan 8.290 nan 0.000 0.547 174 C N 0.990 120.155 119.300 -0.225 0.000 2.398 174 C HA 0.044 4.504 4.460 -0.001 0.000 0.279 174 C C 3.455 178.432 174.990 -0.022 0.000 1.250 174 C CA 0.808 59.627 59.018 -0.331 0.000 1.786 174 C CB -1.102 26.041 27.740 -0.995 0.000 2.018 174 C HN 0.584 nan 8.230 nan 0.000 0.494 175 A N 1.792 124.644 122.820 0.052 0.000 1.854 175 A HA -0.045 4.275 4.320 -0.001 0.000 0.214 175 A C 0.513 178.235 177.584 0.230 0.000 1.192 175 A CA 1.791 53.972 52.037 0.240 0.000 0.611 175 A CB -1.771 17.393 19.000 0.273 0.000 0.832 175 A HN 0.492 nan 8.150 nan 0.000 0.442 176 P HA -0.106 nan 4.420 nan 0.000 0.220 176 P C 1.728 179.150 177.300 0.202 0.000 1.148 176 P CA 1.162 64.359 63.100 0.161 0.000 0.803 176 P CB -0.399 31.361 31.700 0.100 0.000 0.782 177 C N 0.029 119.450 119.300 0.202 0.000 2.432 177 C HA -0.072 4.387 4.460 -0.001 0.000 0.277 177 C C 2.660 177.949 174.990 0.498 0.000 1.249 177 C CA 1.139 60.343 59.018 0.309 0.000 1.725 177 C CB -1.988 25.845 27.740 0.155 0.000 2.028 177 C HN 0.184 nan 8.230 nan 0.000 0.477 178 N N 0.416 119.396 118.700 0.467 0.000 2.166 178 N HA -0.099 4.641 4.740 -0.001 0.000 0.186 178 N C 1.700 177.446 175.510 0.393 0.000 1.019 178 N CA 1.439 54.736 53.050 0.411 0.000 0.856 178 N CB -0.449 38.219 38.487 0.303 0.000 0.993 178 N HN 0.420 nan 8.380 nan 0.000 0.426 179 V N 1.268 121.387 119.914 0.341 0.000 2.261 179 V HA -0.185 3.935 4.120 -0.001 0.000 0.246 179 V C 2.304 178.536 176.094 0.229 0.000 1.047 179 V CA 1.113 63.578 62.300 0.276 0.000 1.015 179 V CB -0.408 31.553 31.823 0.230 0.000 0.642 179 V HN 0.200 nan 8.190 nan 0.000 0.446 180 I N 0.791 121.506 120.570 0.242 0.000 2.361 180 I HA -0.162 4.007 4.170 -0.001 0.000 0.251 180 I C 2.213 178.419 176.117 0.149 0.000 1.133 180 I CA 1.815 63.231 61.300 0.194 0.000 1.413 180 I CB -0.552 37.604 38.000 0.260 0.000 1.073 180 I HN 0.175 nan 8.210 nan 0.000 0.424 181 A N -0.715 122.286 122.820 0.303 0.000 2.067 181 A HA -0.149 4.170 4.320 -0.001 0.000 0.217 181 A C 1.972 179.684 177.584 0.213 0.000 1.156 181 A CA 1.511 53.726 52.037 0.296 0.000 0.683 181 A CB -0.764 18.642 19.000 0.676 0.000 0.808 181 A HN 0.532 nan 8.150 nan 0.000 0.455 182 D N 0.133 120.659 120.400 0.211 0.000 2.091 182 D HA -0.084 4.556 4.640 -0.001 0.000 0.199 182 D C 1.698 178.022 176.300 0.040 0.000 0.980 182 D CA 1.257 55.361 54.000 0.173 0.000 0.831 182 D CB -0.195 40.736 40.800 0.218 0.000 0.987 182 D HN 0.414 nan 8.370 nan 0.000 0.460 183 I N -0.074 120.476 120.570 -0.033 0.000 2.194 183 I HA -0.241 3.928 4.170 -0.001 0.000 0.246 183 I C 1.975 177.860 176.117 -0.387 0.000 1.093 183 I CA 0.585 61.738 61.300 -0.245 0.000 1.355 183 I CB -0.103 37.780 38.000 -0.195 0.000 1.046 183 I HN 0.151 nan 8.210 nan 0.000 0.413 184 L N -0.960 120.031 121.223 -0.385 0.000 2.127 184 L HA -0.002 4.337 4.340 -0.001 0.000 0.203 184 L C 1.216 177.700 176.870 -0.644 0.000 1.080 184 L CA 1.876 56.309 54.840 -0.679 0.000 0.768 184 L CB -0.276 41.132 42.059 -1.084 0.000 0.924 184 L HN 0.126 nan 8.230 nan 0.000 0.444 185 F N -1.205 118.729 119.950 -0.027 0.000 2.838 185 F HA 0.332 4.858 4.527 -0.002 0.000 0.329 185 F C 0.948 176.834 175.800 0.143 0.000 1.116 185 F CA -0.647 57.403 58.000 0.083 0.000 1.155 185 F CB -0.222 38.816 39.000 0.063 0.000 1.106 185 F HN -0.041 nan 8.300 nan 0.000 0.538 186 R N 1.944 122.577 120.500 0.221 0.000 3.484 186 R HA -0.271 4.069 4.340 -0.001 0.000 0.260 186 R C -0.755 175.641 176.300 0.161 0.000 1.053 186 R CA 0.787 56.991 56.100 0.174 0.000 0.703 186 R CB -1.739 28.650 30.300 0.148 0.000 1.089 186 R HN 0.496 nan 8.270 nan 0.000 0.459 187 K N 0.207 120.726 120.400 0.199 0.000 2.156 187 K HA 0.342 4.661 4.320 -0.001 0.000 0.250 187 K C -1.009 175.638 176.600 0.078 0.000 0.955 187 K CA -0.767 55.554 56.287 0.056 0.000 0.855 187 K CB 0.948 33.440 32.500 -0.014 0.000 1.101 187 K HN 0.371 nan 8.250 nan 0.000 0.434 188 H N 3.376 122.318 119.070 -0.213 0.000 2.877 188 H HA 0.283 4.839 4.556 0.000 0.000 0.347 188 H C -1.576 173.540 175.328 -0.354 0.000 1.042 188 H CA -0.522 55.440 56.048 -0.144 0.000 1.276 188 H CB 0.613 30.348 29.762 -0.046 0.000 1.681 188 H HN 0.434 nan 8.280 nan 0.000 0.521 189 F N 2.292 121.763 119.950 -0.798 0.000 2.422 189 F HA 0.136 4.663 4.527 -0.000 0.000 0.333 189 F C 0.977 176.400 175.800 -0.629 0.000 1.095 189 F CA -0.667 56.849 58.000 -0.808 0.000 1.038 189 F CB 1.084 39.045 39.000 -1.731 0.000 1.156 189 F HN 0.445 nan 8.300 nan 0.000 0.483 190 D N 1.739 122.070 120.400 -0.114 0.000 2.390 190 D HA -0.063 4.576 4.640 -0.001 0.000 0.249 190 D C 0.617 177.064 176.300 0.246 0.000 1.144 190 D CA 0.035 54.059 54.000 0.039 0.000 0.880 190 D CB 0.649 41.472 40.800 0.038 0.000 1.182 190 D HN 0.479 nan 8.370 nan 0.000 0.451 191 Y N 2.516 122.873 120.300 0.094 0.000 2.639 191 Y HA -0.196 4.354 4.550 -0.001 0.000 0.289 191 Y C 0.846 176.878 175.900 0.220 0.000 1.155 191 Y CA 0.941 59.190 58.100 0.248 0.000 1.379 191 Y CB -0.451 38.115 38.460 0.176 0.000 0.967 191 Y HN 0.459 nan 8.280 nan 0.000 0.569 192 N N -1.402 117.473 118.700 0.291 0.000 2.598 192 N HA 0.106 4.845 4.740 -0.001 0.000 0.295 192 N C -1.348 174.245 175.510 0.139 0.000 1.729 192 N CA -0.443 52.713 53.050 0.176 0.000 0.877 192 N CB -0.146 38.408 38.487 0.112 0.000 1.405 192 N HN 0.019 nan 8.380 nan 0.000 0.491 193 D N 0.160 120.679 120.400 0.198 0.000 2.350 193 D HA 0.088 4.727 4.640 -0.001 0.000 0.249 193 D C 0.893 177.270 176.300 0.128 0.000 1.119 193 D CA -0.173 53.923 54.000 0.159 0.000 0.886 193 D CB 1.187 42.103 40.800 0.194 0.000 1.195 193 D HN 0.218 nan 8.370 nan 0.000 0.437 194 E N 1.688 121.920 120.200 0.054 0.000 2.065 194 E HA -0.248 4.101 4.350 -0.001 0.000 0.201 194 E C 1.449 178.021 176.600 -0.047 0.000 1.016 194 E CA 1.118 57.506 56.400 -0.020 0.000 0.818 194 E CB 0.159 29.838 29.700 -0.035 0.000 0.749 194 E HN 0.390 nan 8.360 nan 0.000 0.453 195 K N 0.027 120.437 120.400 0.016 0.000 2.148 195 K HA -0.130 4.190 4.320 -0.001 0.000 0.204 195 K C 1.941 178.458 176.600 -0.138 0.000 1.050 195 K CA 0.560 56.816 56.287 -0.052 0.000 0.942 195 K CB -0.390 32.134 32.500 0.039 0.000 0.724 195 K HN 0.100 nan 8.250 nan 0.000 0.446 196 F N 2.074 121.879 119.950 -0.241 0.000 2.025 196 F HA -0.225 4.302 4.527 -0.000 0.000 0.297 196 F C 2.113 177.654 175.800 -0.432 0.000 1.132 196 F CA 1.401 59.114 58.000 -0.477 0.000 1.191 196 F CB -0.789 38.031 39.000 -0.300 0.000 0.963 196 F HN -0.094 nan 8.300 nan 0.000 0.481 197 L N -0.351 120.679 121.223 -0.321 0.000 2.079 197 L HA -0.243 4.097 4.340 -0.001 0.000 0.210 197 L C 2.572 179.128 176.870 -0.524 0.000 1.081 197 L CA 1.552 56.099 54.840 -0.489 0.000 0.752 197 L CB -0.605 41.240 42.059 -0.356 0.000 0.896 197 L HN 0.094 nan 8.230 nan 0.000 0.433 198 R N 0.166 120.421 120.500 -0.408 0.000 2.096 198 R HA -0.154 4.186 4.340 -0.001 0.000 0.235 198 R C 2.029 178.080 176.300 -0.415 0.000 1.127 198 R CA 1.475 57.345 56.100 -0.384 0.000 0.968 198 R CB -0.486 29.635 30.300 -0.298 0.000 0.861 198 R HN 0.092 nan 8.270 nan 0.000 0.440 199 L N 0.122 121.005 121.223 -0.568 0.000 1.994 199 L HA -0.034 4.306 4.340 -0.001 0.000 0.208 199 L C 2.298 178.488 176.870 -1.134 0.000 1.071 199 L CA 1.891 56.211 54.840 -0.867 0.000 0.745 199 L CB -0.855 40.657 42.059 -0.912 0.000 0.892 199 L HN 0.292 nan 8.230 nan 0.000 0.431 200 M N -2.400 116.690 119.600 -0.850 0.000 2.108 200 M HA -0.298 4.182 4.480 -0.001 0.000 0.261 200 M C 2.351 178.583 176.300 -0.115 0.000 1.066 200 M CA 1.820 56.836 55.300 -0.474 0.000 1.107 200 M CB -0.586 31.806 32.600 -0.347 0.000 1.356 200 M HN 0.240 nan 8.290 nan 0.000 0.406 201 Y N 1.111 121.165 120.300 -0.410 0.000 2.181 201 Y HA -0.230 4.319 4.550 -0.001 0.000 0.288 201 Y C 1.933 177.772 175.900 -0.101 0.000 1.146 201 Y CA 1.635 59.584 58.100 -0.252 0.000 1.164 201 Y CB -0.122 38.057 38.460 -0.469 0.000 0.982 201 Y HN 0.091 nan 8.280 nan 0.000 0.515 202 L N -1.404 119.803 121.223 -0.028 0.000 2.056 202 L HA -0.193 4.147 4.340 -0.001 0.000 0.207 202 L C 2.229 179.120 176.870 0.035 0.000 1.078 202 L CA 0.765 55.576 54.840 -0.048 0.000 0.749 202 L CB -0.700 41.290 42.059 -0.115 0.000 0.901 202 L HN 0.190 nan 8.230 nan 0.000 0.433 203 F N 0.484 120.420 119.950 -0.022 0.000 2.091 203 F HA -0.289 4.237 4.527 -0.001 0.000 0.299 203 F C 2.619 178.546 175.800 0.212 0.000 1.103 203 F CA 1.408 59.480 58.000 0.120 0.000 1.228 203 F CB -1.356 37.752 39.000 0.181 0.000 0.984 203 F HN 0.288 nan 8.300 nan 0.000 0.477 204 N N 0.733 119.616 118.700 0.305 0.000 2.106 204 N HA -0.215 4.525 4.740 -0.001 0.000 0.188 204 N C 1.932 177.518 175.510 0.127 0.000 1.029 204 N CA 1.462 54.635 53.050 0.206 0.000 0.848 204 N CB -0.281 38.279 38.487 0.123 0.000 1.007 204 N HN 0.472 nan 8.380 nan 0.000 0.423 205 E N 0.238 120.389 120.200 -0.082 0.000 2.085 205 E HA -0.176 4.174 4.350 -0.001 0.000 0.194 205 E C 1.542 178.164 176.600 0.036 0.000 0.994 205 E CA 1.187 57.510 56.400 -0.128 0.000 0.801 205 E CB 0.003 29.527 29.700 -0.294 0.000 0.743 205 E HN 0.360 nan 8.360 nan 0.000 0.453 206 N N 0.001 118.736 118.700 0.058 0.000 2.084 206 N HA -0.173 4.566 4.740 -0.001 0.000 0.190 206 N C 1.554 177.180 175.510 0.193 0.000 1.030 206 N CA 0.993 54.067 53.050 0.041 0.000 0.849 206 N CB -0.553 37.866 38.487 -0.113 0.000 1.012 206 N HN 0.185 nan 8.380 nan 0.000 0.423 207 F N 1.041 121.131 119.950 0.234 0.000 2.146 207 F HA -0.133 4.394 4.527 -0.001 0.000 0.298 207 F C 2.537 178.452 175.800 0.192 0.000 1.096 207 F CA 1.493 59.659 58.000 0.278 0.000 1.275 207 F CB -0.593 38.605 39.000 0.331 0.000 1.008 207 F HN 0.219 nan 8.300 nan 0.000 0.480 208 H N -0.352 118.814 119.070 0.160 0.000 2.293 208 H HA -0.150 4.405 4.556 -0.001 0.000 0.300 208 H C 2.215 177.487 175.328 -0.094 0.000 1.082 208 H CA 2.450 58.515 56.048 0.027 0.000 1.308 208 H CB -0.358 29.425 29.762 0.035 0.000 1.375 208 H HN 0.299 nan 8.280 nan 0.000 0.495 209 L N -0.016 121.266 121.223 0.098 0.000 2.156 209 L HA -0.103 4.237 4.340 -0.001 0.000 0.208 209 L C 2.100 178.920 176.870 -0.083 0.000 1.095 209 L CA 0.586 55.433 54.840 0.011 0.000 0.770 209 L CB -0.100 41.967 42.059 0.013 0.000 0.914 209 L HN 0.365 nan 8.230 nan 0.000 0.439 210 L N -1.179 119.977 121.223 -0.112 0.000 2.551 210 L HA -0.056 4.283 4.340 -0.001 0.000 0.228 210 L C 1.705 178.526 176.870 -0.082 0.000 1.153 210 L CA 0.367 55.121 54.840 -0.144 0.000 0.851 210 L CB -0.058 41.772 42.059 -0.382 0.000 0.959 210 L HN 0.094 nan 8.230 nan 0.000 0.451 211 S N -1.611 114.000 115.700 -0.149 0.000 2.557 211 S HA 0.075 4.545 4.470 -0.001 0.000 0.223 211 S C 0.716 175.212 174.600 -0.174 0.000 0.969 211 S CA -0.134 57.981 58.200 -0.141 0.000 0.927 211 S CB 0.031 63.112 63.200 -0.199 0.000 0.806 211 S HN 0.479 nan 8.310 nan 0.000 0.489 212 T N -0.507 113.926 114.554 -0.202 0.000 2.943 212 T HA 0.422 4.771 4.350 -0.001 0.000 0.284 212 T C -2.277 172.396 174.700 -0.046 0.000 1.015 212 T CA -2.064 59.915 62.100 -0.202 0.000 1.042 212 T CB 1.404 70.112 68.868 -0.266 0.000 1.055 212 T HN -0.252 nan 8.240 nan 0.000 0.500 213 P HA -0.157 nan 4.420 nan 0.000 0.215 213 P C 1.342 178.679 177.300 0.062 0.000 1.163 213 P CA 1.188 64.306 63.100 0.030 0.000 0.894 213 P CB -0.130 31.608 31.700 0.063 0.000 0.791 214 W N 0.225 121.499 121.300 -0.043 0.000 2.363 214 W HA -0.129 4.530 4.660 -0.001 0.000 0.296 214 W C 1.620 178.148 176.519 0.015 0.000 1.212 214 W CA 0.963 58.295 57.345 -0.021 0.000 1.260 214 W CB -0.773 28.672 29.460 -0.024 0.000 1.131 214 W HN -0.136 nan 8.180 nan 0.000 0.530 215 L N 1.026 122.288 121.223 0.065 0.000 2.362 215 L HA -0.218 4.121 4.340 -0.001 0.000 0.219 215 L C 2.728 179.588 176.870 -0.017 0.000 1.134 215 L CA 1.073 55.922 54.840 0.015 0.000 0.807 215 L CB -0.536 41.545 42.059 0.037 0.000 0.927 215 L HN -0.075 nan 8.230 nan 0.000 0.447 216 Q N -1.137 118.631 119.800 -0.052 0.000 2.163 216 Q HA -0.070 4.270 4.340 -0.001 0.000 0.198 216 Q C 2.226 178.182 176.000 -0.074 0.000 0.954 216 Q CA 0.919 56.697 55.803 -0.043 0.000 0.851 216 Q CB -0.222 28.490 28.738 -0.043 0.000 0.928 216 Q HN 0.363 nan 8.270 nan 0.000 0.459 217 L N 0.104 121.231 121.223 -0.159 0.000 2.005 217 L HA -0.178 4.161 4.340 -0.001 0.000 0.207 217 L C 2.371 179.134 176.870 -0.177 0.000 1.072 217 L CA 1.713 56.445 54.840 -0.179 0.000 0.744 217 L CB -0.868 40.929 42.059 -0.437 0.000 0.895 217 L HN 0.199 nan 8.230 nan 0.000 0.433 218 Y N 0.206 120.207 120.300 -0.498 0.000 2.145 218 Y HA -0.276 4.273 4.550 -0.001 0.000 0.286 218 Y C 2.385 178.178 175.900 -0.178 0.000 1.145 218 Y CA 2.069 59.916 58.100 -0.421 0.000 1.148 218 Y CB -0.450 37.682 38.460 -0.545 0.000 0.981 218 Y HN 0.306 nan 8.280 nan 0.000 0.507 219 N N 0.831 119.433 118.700 -0.164 0.000 2.334 219 N HA -0.215 4.525 4.740 -0.001 0.000 0.187 219 N C 0.808 176.162 175.510 -0.259 0.000 1.016 219 N CA 1.565 54.480 53.050 -0.225 0.000 0.879 219 N CB -0.411 38.065 38.487 -0.019 0.000 0.965 219 N HN 0.640 nan 8.380 nan 0.000 0.438 220 N N -0.907 117.672 118.700 -0.201 0.000 2.254 220 N HA 0.058 4.797 4.740 -0.001 0.000 0.190 220 N C -0.403 174.845 175.510 -0.438 0.000 1.107 220 N CA 0.177 53.059 53.050 -0.280 0.000 0.869 220 N CB 0.469 38.798 38.487 -0.264 0.000 0.983 220 N HN 0.115 nan 8.380 nan 0.000 0.487 221 F N 0.531 120.356 119.950 -0.207 0.000 2.623 221 F HA 0.335 4.861 4.527 -0.001 0.000 0.361 221 F C -1.785 173.956 175.800 -0.099 0.000 1.469 221 F CA -1.533 56.443 58.000 -0.041 0.000 1.126 221 F CB 1.445 40.426 39.000 -0.031 0.000 1.221 221 F HN -0.124 nan 8.300 nan 0.000 0.536 222 P HA -0.161 nan 4.420 nan 0.000 0.216 222 P C 1.792 179.079 177.300 -0.022 0.000 1.153 222 P CA 1.652 64.537 63.100 -0.359 0.000 0.848 222 P CB 0.092 31.542 31.700 -0.417 0.000 0.787 223 S N -1.019 114.667 115.700 -0.024 0.000 2.383 223 S HA -0.125 4.345 4.470 -0.001 0.000 0.227 223 S C 1.921 176.537 174.600 0.027 0.000 1.026 223 S CA 0.768 58.953 58.200 -0.025 0.000 0.981 223 S CB -1.780 61.322 63.200 -0.163 0.000 0.818 223 S HN -0.066 nan 8.310 nan 0.000 0.472 224 F N 0.827 120.851 119.950 0.124 0.000 2.216 224 F HA 0.176 4.702 4.527 -0.001 0.000 0.300 224 F C 1.806 177.686 175.800 0.133 0.000 1.085 224 F CA 0.683 58.756 58.000 0.121 0.000 1.326 224 F CB -0.175 38.883 39.000 0.095 0.000 1.027 224 F HN 0.252 nan 8.300 nan 0.000 0.497 225 L N -2.589 118.824 121.223 0.316 0.000 2.840 225 L HA 0.113 4.452 4.340 -0.001 0.000 0.249 225 L C 1.798 178.808 176.870 0.232 0.000 1.119 225 L CA 0.493 55.476 54.840 0.237 0.000 0.930 225 L CB -0.895 41.209 42.059 0.075 0.000 1.295 225 L HN 0.041 nan 8.230 nan 0.000 0.534 226 H N -0.906 118.266 119.070 0.170 0.000 2.457 226 H HA -0.151 4.404 4.556 -0.001 0.000 0.297 226 H C 0.572 175.832 175.328 -0.113 0.000 1.092 226 H CA 1.974 58.059 56.048 0.061 0.000 1.309 226 H CB 0.148 29.797 29.762 -0.189 0.000 1.382 226 H HN 0.340 nan 8.280 nan 0.000 0.535 227 Y N -0.176 120.329 120.300 0.342 0.000 2.720 227 Y HA 0.266 4.816 4.550 -0.001 0.000 0.277 227 Y C -0.280 175.735 175.900 0.191 0.000 1.144 227 Y CA -0.472 57.766 58.100 0.231 0.000 1.221 227 Y CB 0.313 38.895 38.460 0.203 0.000 1.163 227 Y HN 0.017 nan 8.280 nan 0.000 0.537 228 L N 2.392 123.812 121.223 0.329 0.000 2.387 228 L HA 0.469 4.808 4.340 -0.001 0.000 0.266 228 L C -2.056 174.950 176.870 0.226 0.000 1.059 228 L CA -2.248 52.748 54.840 0.260 0.000 0.801 228 L CB 0.905 43.130 42.059 0.276 0.000 1.223 228 L HN -0.079 nan 8.230 nan 0.000 0.456 229 P HA 0.298 nan 4.420 nan 0.000 0.270 229 P C -0.220 177.078 177.300 -0.002 0.000 1.223 229 P CA 0.137 63.228 63.100 -0.014 0.000 0.785 229 P CB 0.979 32.635 31.700 -0.072 0.000 0.923 230 G N -0.820 107.877 108.800 -0.173 0.000 2.361 230 G HA2 0.016 3.975 3.960 -0.001 0.000 0.305 230 G HA3 0.016 3.975 3.960 -0.001 0.000 0.305 230 G C 0.623 175.353 174.900 -0.284 0.000 1.367 230 G CA 0.027 44.980 45.100 -0.245 0.000 0.951 230 G HN 0.309 nan 8.290 nan 0.000 0.615 231 S N -0.433 115.172 115.700 -0.159 0.000 2.400 231 S HA -0.268 4.202 4.470 -0.001 0.000 0.234 231 S C 2.250 176.823 174.600 -0.044 0.000 1.049 231 S CA 2.694 60.866 58.200 -0.047 0.000 1.039 231 S CB -0.521 62.748 63.200 0.116 0.000 0.856 231 S HN 0.915 nan 8.310 nan 0.000 0.465 232 H N 0.695 119.720 119.070 -0.075 0.000 2.422 232 H HA -0.020 4.536 4.556 -0.001 0.000 0.298 232 H C 2.128 177.218 175.328 -0.397 0.000 1.098 232 H CA 1.524 57.331 56.048 -0.401 0.000 1.315 232 H CB -0.778 28.369 29.762 -1.024 0.000 1.382 232 H HN 0.416 nan 8.280 nan 0.000 0.523 233 R N 0.545 120.525 120.500 -0.868 0.000 2.096 233 R HA -0.088 4.252 4.340 -0.001 0.000 0.235 233 R C 2.458 178.550 176.300 -0.348 0.000 1.127 233 R CA 1.415 57.153 56.100 -0.603 0.000 0.968 233 R CB -0.034 29.914 30.300 -0.585 0.000 0.861 233 R HN 0.205 nan 8.270 nan 0.000 0.440 234 K N 0.523 120.748 120.400 -0.290 0.000 2.057 234 K HA -0.096 4.223 4.320 -0.001 0.000 0.207 234 K C 1.797 178.280 176.600 -0.195 0.000 1.049 234 K CA 1.151 57.320 56.287 -0.195 0.000 0.931 234 K CB -0.174 32.234 32.500 -0.153 0.000 0.714 234 K HN -0.057 nan 8.250 nan 0.000 0.440 235 V N 0.726 120.503 119.914 -0.228 0.000 2.307 235 V HA -0.213 3.907 4.120 -0.001 0.000 0.245 235 V C 2.164 178.064 176.094 -0.324 0.000 1.045 235 V CA 1.837 63.978 62.300 -0.266 0.000 1.024 235 V CB -0.348 31.312 31.823 -0.273 0.000 0.651 235 V HN 0.276 nan 8.190 nan 0.000 0.449 236 I N -0.183 120.207 120.570 -0.300 0.000 2.179 236 I HA -0.280 3.890 4.170 -0.001 0.000 0.242 236 I C 2.578 178.584 176.117 -0.185 0.000 1.088 236 I CA 1.846 62.995 61.300 -0.251 0.000 1.357 236 I CB -0.462 37.429 38.000 -0.182 0.000 1.051 236 I HN 0.225 nan 8.210 nan 0.000 0.409 237 K N 0.829 121.129 120.400 -0.166 0.000 2.103 237 K HA -0.205 4.114 4.320 -0.001 0.000 0.207 237 K C 1.858 178.399 176.600 -0.099 0.000 1.048 237 K CA 1.548 57.767 56.287 -0.113 0.000 0.930 237 K CB -0.040 32.397 32.500 -0.106 0.000 0.716 237 K HN 0.304 nan 8.250 nan 0.000 0.444 238 N N 0.478 119.100 118.700 -0.130 0.000 2.142 238 N HA -0.129 4.610 4.740 -0.001 0.000 0.186 238 N C 1.850 177.294 175.510 -0.111 0.000 1.023 238 N CA 1.026 54.010 53.050 -0.110 0.000 0.852 238 N CB -0.446 37.964 38.487 -0.129 0.000 0.998 238 N HN -0.024 nan 8.380 nan 0.000 0.424 239 V N 1.791 121.581 119.914 -0.207 0.000 2.255 239 V HA -0.247 3.872 4.120 -0.001 0.000 0.247 239 V C 2.471 178.572 176.094 0.012 0.000 1.051 239 V CA 1.946 64.132 62.300 -0.191 0.000 1.018 239 V CB -1.129 30.397 31.823 -0.496 0.000 0.641 239 V HN 0.310 nan 8.190 nan 0.000 0.445 240 A N -0.525 122.289 122.820 -0.009 0.000 1.873 240 A HA -0.343 3.976 4.320 -0.001 0.000 0.218 240 A C 2.282 179.908 177.584 0.070 0.000 1.193 240 A CA 2.403 54.466 52.037 0.044 0.000 0.629 240 A CB -0.697 18.313 19.000 0.016 0.000 0.826 240 A HN 0.643 nan 8.150 nan 0.000 0.447 241 E N -0.497 119.728 120.200 0.042 0.000 2.058 241 E HA -0.168 4.182 4.350 -0.001 0.000 0.194 241 E C 1.956 178.632 176.600 0.127 0.000 0.997 241 E CA 1.637 58.073 56.400 0.060 0.000 0.801 241 E CB -0.199 29.507 29.700 0.012 0.000 0.746 241 E HN 0.316 nan 8.360 nan 0.000 0.450 242 V N 1.162 121.160 119.914 0.141 0.000 2.287 242 V HA -0.302 3.817 4.120 -0.001 0.000 0.248 242 V C 2.382 178.684 176.094 0.345 0.000 1.053 242 V CA 2.111 64.572 62.300 0.268 0.000 1.027 242 V CB -0.455 31.569 31.823 0.334 0.000 0.646 242 V HN 0.262 nan 8.190 nan 0.000 0.447 243 K N 0.007 120.573 120.400 0.277 0.000 2.009 243 K HA -0.272 4.048 4.320 -0.001 0.000 0.210 243 K C 2.182 178.894 176.600 0.187 0.000 1.049 243 K CA 1.973 58.400 56.287 0.233 0.000 0.929 243 K CB -0.265 32.338 32.500 0.173 0.000 0.714 243 K HN 0.730 nan 8.250 nan 0.000 0.440 244 E N 0.267 120.559 120.200 0.154 0.000 2.086 244 E HA -0.285 4.064 4.350 -0.001 0.000 0.200 244 E C 1.857 178.538 176.600 0.134 0.000 1.012 244 E CA 1.817 58.287 56.400 0.118 0.000 0.812 244 E CB -1.003 28.752 29.700 0.091 0.000 0.743 244 E HN 0.517 nan 8.360 nan 0.000 0.453 245 Y N 0.519 120.880 120.300 0.100 0.000 2.293 245 Y HA -0.053 4.496 4.550 -0.001 0.000 0.291 245 Y C 2.021 177.976 175.900 0.091 0.000 1.137 245 Y CA 1.358 59.516 58.100 0.097 0.000 1.202 245 Y CB 0.105 38.644 38.460 0.131 0.000 0.990 245 Y HN 0.007 nan 8.280 nan 0.000 0.537 246 V N -1.075 118.986 119.914 0.246 0.000 2.273 246 V HA -0.246 3.873 4.120 -0.001 0.000 0.242 246 V C 2.519 178.624 176.094 0.019 0.000 1.035 246 V CA 1.801 64.211 62.300 0.183 0.000 1.013 246 V CB -0.962 31.085 31.823 0.374 0.000 0.652 246 V HN 0.468 nan 8.190 nan 0.000 0.452 247 S N -0.452 115.281 115.700 0.056 0.000 2.406 247 S HA -0.342 4.127 4.470 -0.001 0.000 0.242 247 S C 2.014 176.594 174.600 -0.034 0.000 1.079 247 S CA 2.362 60.574 58.200 0.020 0.000 1.133 247 S CB -0.342 62.879 63.200 0.034 0.000 1.005 247 S HN 0.650 nan 8.310 nan 0.000 0.443 248 E N 0.564 120.710 120.200 -0.091 0.000 2.017 248 E HA -0.082 4.267 4.350 -0.001 0.000 0.193 248 E C 2.272 178.780 176.600 -0.154 0.000 0.997 248 E CA 1.023 57.350 56.400 -0.122 0.000 0.804 248 E CB -0.653 28.953 29.700 -0.157 0.000 0.757 248 E HN 0.328 nan 8.360 nan 0.000 0.448 249 R N 0.457 120.766 120.500 -0.319 0.000 2.174 249 R HA -0.138 4.202 4.340 -0.001 0.000 0.253 249 R C 2.330 178.601 176.300 -0.049 0.000 1.165 249 R CA 0.836 56.753 56.100 -0.305 0.000 0.984 249 R CB -0.937 28.907 30.300 -0.759 0.000 0.873 249 R HN 0.081 nan 8.270 nan 0.000 0.456 250 V N 0.076 119.964 119.914 -0.044 0.000 2.346 250 V HA -0.176 3.943 4.120 -0.001 0.000 0.244 250 V C 2.059 178.212 176.094 0.099 0.000 1.037 250 V CA 1.562 63.879 62.300 0.027 0.000 1.029 250 V CB -0.297 31.542 31.823 0.027 0.000 0.663 250 V HN 0.287 nan 8.190 nan 0.000 0.454 251 K N -0.109 120.324 120.400 0.055 0.000 2.032 251 K HA -0.269 4.050 4.320 -0.001 0.000 0.209 251 K C 2.209 178.885 176.600 0.126 0.000 1.048 251 K CA 2.003 58.336 56.287 0.076 0.000 0.927 251 K CB -0.184 32.334 32.500 0.031 0.000 0.712 251 K HN 0.479 nan 8.250 nan 0.000 0.441 252 E N -0.088 120.165 120.200 0.088 0.000 2.085 252 E HA -0.237 4.113 4.350 -0.001 0.000 0.194 252 E C 1.857 178.521 176.600 0.106 0.000 0.994 252 E CA 1.486 57.930 56.400 0.074 0.000 0.801 252 E CB 0.033 29.753 29.700 0.033 0.000 0.743 252 E HN 0.340 nan 8.360 nan 0.000 0.453 253 H N -1.241 117.855 119.070 0.043 0.000 2.389 253 H HA -0.102 4.454 4.556 -0.001 0.000 0.299 253 H C 2.003 177.385 175.328 0.090 0.000 1.081 253 H CA 1.738 57.827 56.048 0.068 0.000 1.345 253 H CB -0.165 29.656 29.762 0.098 0.000 1.393 253 H HN 0.283 nan 8.280 nan 0.000 0.520 254 H N 0.558 119.709 119.070 0.135 0.000 2.276 254 H HA -0.111 4.445 4.556 -0.001 0.000 0.301 254 H C 2.030 177.381 175.328 0.038 0.000 1.073 254 H CA 1.491 57.583 56.048 0.074 0.000 1.311 254 H CB 0.041 29.840 29.762 0.061 0.000 1.379 254 H HN 0.393 nan 8.280 nan 0.000 0.494 255 Q N 0.992 120.827 119.800 0.059 0.000 2.449 255 Q HA -0.108 4.232 4.340 -0.001 0.000 0.214 255 Q C 0.800 176.766 176.000 -0.057 0.000 0.986 255 Q CA 1.545 57.339 55.803 -0.015 0.000 0.893 255 Q CB 0.024 28.793 28.738 0.051 0.000 0.940 255 Q HN 0.466 nan 8.270 nan 0.000 0.477 256 S N -0.808 114.858 115.700 -0.056 0.000 3.021 256 S HA 0.187 4.656 4.470 -0.001 0.000 0.252 256 S C -0.217 174.342 174.600 -0.069 0.000 0.996 256 S CA -0.761 57.398 58.200 -0.068 0.000 1.084 256 S CB 0.143 63.302 63.200 -0.069 0.000 1.021 256 S HN 0.242 nan 8.310 nan 0.000 0.566 257 L N 3.052 124.232 121.223 -0.071 0.000 2.485 257 L HA 0.549 4.888 4.340 -0.001 0.000 0.275 257 L C -0.465 176.378 176.870 -0.046 0.000 1.207 257 L CA 0.892 55.707 54.840 -0.041 0.000 0.855 257 L CB 0.570 42.603 42.059 -0.043 0.000 1.114 257 L HN 0.393 nan 8.230 nan 0.000 0.485 258 D N 5.534 125.922 120.400 -0.019 0.000 2.421 258 D HA 0.418 5.057 4.640 -0.001 0.000 0.254 258 D C -2.235 174.065 176.300 0.000 0.000 1.238 258 D CA -2.028 51.962 54.000 -0.016 0.000 0.919 258 D CB 1.852 42.643 40.800 -0.015 0.000 1.152 258 D HN 0.301 nan 8.370 nan 0.000 0.552 259 P HA -0.073 nan 4.420 nan 0.000 0.221 259 P C 0.744 178.050 177.300 0.010 0.000 1.145 259 P CA 0.663 63.767 63.100 0.005 0.000 0.795 259 P CB 0.301 31.997 31.700 -0.007 0.000 0.775 260 N N -1.409 117.293 118.700 0.004 0.000 2.309 260 N HA -0.074 4.665 4.740 -0.001 0.000 0.182 260 N C 0.186 175.704 175.510 0.014 0.000 1.018 260 N CA 0.709 53.763 53.050 0.006 0.000 0.876 260 N CB -0.779 37.708 38.487 -0.000 0.000 0.972 260 N HN 0.147 nan 8.380 nan 0.000 0.434 261 C N 2.636 121.947 119.300 0.019 0.000 2.439 261 C HA 0.347 4.806 4.460 -0.001 0.000 0.298 261 C C -2.406 172.617 174.990 0.054 0.000 1.094 261 C CA -1.673 57.363 59.018 0.030 0.000 1.609 261 C CB 0.083 27.834 27.740 0.019 0.000 1.723 261 C HN 0.128 nan 8.230 nan 0.000 0.423 262 P HA 0.185 nan 4.420 nan 0.000 0.269 262 P C 0.490 177.883 177.300 0.155 0.000 1.252 262 P CA 0.363 63.542 63.100 0.132 0.000 0.780 262 P CB 0.372 32.165 31.700 0.155 0.000 0.829 263 R N 1.980 122.571 120.500 0.152 0.000 2.240 263 R HA 0.051 4.390 4.340 -0.001 0.000 0.203 263 R C 0.424 176.862 176.300 0.229 0.000 1.011 263 R CA 0.880 57.071 56.100 0.153 0.000 1.007 263 R CB -0.061 30.292 30.300 0.088 0.000 0.911 263 R HN 0.623 nan 8.270 nan 0.000 0.468 264 D N -2.977 117.573 120.400 0.250 0.000 2.992 264 D HA -0.059 4.581 4.640 -0.001 0.000 0.349 264 D C 0.139 176.426 176.300 -0.021 0.000 1.393 264 D CA -0.770 53.282 54.000 0.087 0.000 0.887 264 D CB 0.013 40.860 40.800 0.078 0.000 1.447 264 D HN -0.128 nan 8.370 nan 0.000 0.524 265 L N -0.546 120.492 121.223 -0.307 0.000 2.131 265 L HA 0.053 4.393 4.340 -0.001 0.000 0.206 265 L C 2.142 178.990 176.870 -0.038 0.000 1.087 265 L CA 1.960 56.664 54.840 -0.227 0.000 0.767 265 L CB -0.309 41.535 42.059 -0.358 0.000 0.917 265 L HN 0.732 nan 8.230 nan 0.000 0.441 266 T N -1.791 112.716 114.554 -0.078 0.000 2.915 266 T HA -0.181 4.168 4.350 -0.001 0.000 0.269 266 T C 1.525 176.278 174.700 0.089 0.000 1.071 266 T CA 1.574 63.650 62.100 -0.040 0.000 1.132 266 T CB -0.334 68.416 68.868 -0.196 0.000 0.878 266 T HN 0.356 nan 8.240 nan 0.000 0.479 267 D N 0.688 121.204 120.400 0.192 0.000 2.092 267 D HA -0.068 4.572 4.640 -0.001 0.000 0.193 267 D C 2.392 178.793 176.300 0.169 0.000 0.994 267 D CA 1.428 55.558 54.000 0.216 0.000 0.828 267 D CB -0.784 40.151 40.800 0.226 0.000 0.963 267 D HN 0.509 nan 8.370 nan 0.000 0.450 268 C N 0.309 119.733 119.300 0.206 0.000 2.422 268 C HA -0.054 4.405 4.460 -0.001 0.000 0.279 268 C C 2.878 178.030 174.990 0.270 0.000 1.305 268 C CA 0.142 59.332 59.018 0.287 0.000 1.757 268 C CB -1.172 26.800 27.740 0.386 0.000 1.962 268 C HN 0.335 nan 8.230 nan 0.000 0.499 269 L N -0.425 120.929 121.223 0.219 0.000 2.095 269 L HA -0.077 4.262 4.340 -0.001 0.000 0.204 269 L C 2.596 179.384 176.870 -0.136 0.000 1.080 269 L CA 0.712 55.585 54.840 0.054 0.000 0.759 269 L CB -0.631 41.531 42.059 0.172 0.000 0.914 269 L HN 0.194 nan 8.230 nan 0.000 0.439 270 L N -0.338 120.887 121.223 0.003 0.000 1.990 270 L HA -0.213 4.126 4.340 -0.001 0.000 0.213 270 L C 2.563 179.412 176.870 -0.035 0.000 1.072 270 L CA 1.651 56.505 54.840 0.022 0.000 0.755 270 L CB -1.042 41.092 42.059 0.125 0.000 0.889 270 L HN 0.013 nan 8.230 nan 0.000 0.432 271 V N -0.586 119.312 119.914 -0.027 0.000 2.287 271 V HA -0.288 3.831 4.120 -0.001 0.000 0.248 271 V C 2.510 178.499 176.094 -0.174 0.000 1.053 271 V CA 1.765 64.032 62.300 -0.055 0.000 1.027 271 V CB -0.539 31.284 31.823 -0.001 0.000 0.646 271 V HN 0.404 nan 8.190 nan 0.000 0.447 272 E N -0.629 119.367 120.200 -0.340 0.000 2.331 272 E HA -0.214 4.135 4.350 -0.001 0.000 0.199 272 E C 1.962 178.224 176.600 -0.564 0.000 1.008 272 E CA 1.210 57.252 56.400 -0.597 0.000 0.843 272 E CB -0.185 28.830 29.700 -1.142 0.000 0.761 272 E HN 0.595 nan 8.360 nan 0.000 0.507 273 M N -0.768 118.593 119.600 -0.398 0.000 2.534 273 M HA 0.010 4.489 4.480 -0.001 0.000 0.263 273 M C 1.189 177.445 176.300 -0.074 0.000 1.152 273 M CA 0.641 55.815 55.300 -0.211 0.000 1.145 273 M CB 0.380 32.913 32.600 -0.112 0.000 1.333 273 M HN -0.062 nan 8.290 nan 0.000 0.477 274 E N 0.896 121.060 120.200 -0.061 0.000 2.152 274 E HA -0.148 4.202 4.350 -0.001 0.000 0.192 274 E C 1.738 178.307 176.600 -0.051 0.000 0.983 274 E CA 0.868 57.257 56.400 -0.018 0.000 0.818 274 E CB -0.115 29.580 29.700 -0.007 0.000 0.758 274 E HN 0.518 nan 8.360 nan 0.000 0.467 275 K N 0.700 121.047 120.400 -0.088 0.000 2.009 275 K HA -0.192 4.128 4.320 -0.001 0.000 0.210 275 K C 1.727 178.284 176.600 -0.072 0.000 1.049 275 K CA 1.822 58.053 56.287 -0.094 0.000 0.929 275 K CB -0.038 32.396 32.500 -0.111 0.000 0.714 275 K HN 0.181 nan 8.250 nan 0.000 0.440 276 E N 0.565 120.739 120.200 -0.043 0.000 2.419 276 E HA -0.022 4.327 4.350 -0.001 0.000 0.190 276 E C 1.065 177.698 176.600 0.055 0.000 1.040 276 E CA -0.103 56.301 56.400 0.007 0.000 0.900 276 E CB 0.194 29.910 29.700 0.027 0.000 1.054 276 E HN 0.249 nan 8.360 nan 0.000 0.462 277 K N 0.740 121.178 120.400 0.064 0.000 2.211 277 K HA -0.216 4.104 4.320 -0.001 0.000 0.204 277 K C 1.399 178.121 176.600 0.203 0.000 1.047 277 K CA 1.476 57.838 56.287 0.124 0.000 0.935 277 K CB -0.458 32.123 32.500 0.135 0.000 0.728 277 K HN 0.398 nan 8.250 nan 0.000 0.452 278 H N 0.874 119.950 119.070 0.011 0.000 2.436 278 H HA 0.084 4.639 4.556 -0.001 0.000 0.294 278 H C 0.412 175.747 175.328 0.012 0.000 1.048 278 H CA -0.033 56.021 56.048 0.010 0.000 1.353 278 H CB 0.319 30.085 29.762 0.007 0.000 1.414 278 H HN 0.157 nan 8.280 nan 0.000 0.536 279 S N 0.363 116.143 115.700 0.133 0.000 2.558 279 S HA 0.063 4.532 4.470 -0.001 0.000 0.287 279 S C 1.358 175.989 174.600 0.052 0.000 1.321 279 S CA 0.048 58.293 58.200 0.075 0.000 1.048 279 S CB 1.349 64.585 63.200 0.061 0.000 0.844 279 S HN 0.422 nan 8.310 nan 0.000 0.512 280 A N 1.409 124.251 122.820 0.037 0.000 1.935 280 A HA 0.015 4.335 4.320 -0.001 0.000 0.214 280 A C 1.136 178.737 177.584 0.028 0.000 1.178 280 A CA 0.441 52.494 52.037 0.026 0.000 0.640 280 A CB -0.215 18.797 19.000 0.019 0.000 0.825 280 A HN 0.834 nan 8.150 nan 0.000 0.447 281 E N 1.526 121.743 120.200 0.030 0.000 1.996 281 E HA 0.269 4.619 4.350 -0.001 0.000 0.280 281 E C -0.886 175.736 176.600 0.037 0.000 1.092 281 E CA -0.295 56.122 56.400 0.028 0.000 0.862 281 E CB 0.280 29.994 29.700 0.023 0.000 1.066 281 E HN 0.372 nan 8.360 nan 0.000 0.396 282 R N 2.755 123.278 120.500 0.039 0.000 2.532 282 R HA 0.373 4.713 4.340 -0.001 0.000 0.295 282 R C -0.290 176.032 176.300 0.036 0.000 0.968 282 R CA -0.972 55.163 56.100 0.058 0.000 0.916 282 R CB 1.008 31.348 30.300 0.066 0.000 1.124 282 R HN 0.482 nan 8.270 nan 0.000 0.463 283 L N 0.458 121.704 121.223 0.039 0.000 2.637 283 L HA 0.532 4.872 4.340 -0.001 0.000 0.241 283 L C -1.527 175.199 176.870 -0.240 0.000 1.398 283 L CA -0.775 54.004 54.840 -0.101 0.000 0.895 283 L CB 0.133 42.086 42.059 -0.176 0.000 1.183 283 L HN 0.488 nan 8.230 nan 0.000 0.497 284 Y N -0.930 119.367 120.300 -0.006 0.000 2.521 284 Y HA 0.713 5.263 4.550 -0.001 0.000 0.326 284 Y C -0.172 175.727 175.900 -0.002 0.000 1.176 284 Y CA -0.610 57.484 58.100 -0.009 0.000 1.079 284 Y CB 2.527 40.966 38.460 -0.035 0.000 1.341 284 Y HN 0.289 nan 8.280 nan 0.000 0.456 285 T N 3.582 118.222 114.554 0.143 0.000 2.982 285 T HA 0.227 4.576 4.350 -0.001 0.000 0.321 285 T C 0.636 175.377 174.700 0.069 0.000 1.229 285 T CA -0.828 61.316 62.100 0.073 0.000 1.044 285 T CB 1.438 70.332 68.868 0.043 0.000 1.184 285 T HN 0.591 nan 8.240 nan 0.000 0.477 286 M N 1.220 120.835 119.600 0.025 0.000 2.108 286 M HA -0.154 4.325 4.480 -0.001 0.000 0.257 286 M C 1.737 178.052 176.300 0.025 0.000 1.071 286 M CA 1.975 57.276 55.300 0.003 0.000 1.093 286 M CB -0.991 31.584 32.600 -0.042 0.000 1.345 286 M HN 0.711 nan 8.290 nan 0.000 0.403 287 D N -0.321 120.095 120.400 0.026 0.000 2.097 287 D HA -0.071 4.569 4.640 -0.001 0.000 0.197 287 D C 2.015 178.336 176.300 0.035 0.000 0.984 287 D CA 1.727 55.744 54.000 0.029 0.000 0.826 287 D CB -0.423 40.394 40.800 0.027 0.000 0.973 287 D HN 0.367 nan 8.370 nan 0.000 0.460 288 G N 0.100 108.926 108.800 0.045 0.000 2.485 288 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.221 288 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.221 288 G C 1.700 176.647 174.900 0.078 0.000 1.115 288 G CA 0.930 46.060 45.100 0.051 0.000 0.751 288 G HN 0.386 nan 8.290 nan 0.000 0.567 289 I N 1.064 121.693 120.570 0.098 0.000 2.480 289 I HA -0.055 4.114 4.170 -0.001 0.000 0.251 289 I C 3.158 179.336 176.117 0.103 0.000 1.124 289 I CA 1.429 62.805 61.300 0.126 0.000 1.444 289 I CB -0.430 37.648 38.000 0.129 0.000 1.098 289 I HN 0.253 nan 8.210 nan 0.000 0.428 290 T N -0.749 113.853 114.554 0.080 0.000 2.684 290 T HA -0.160 4.189 4.350 -0.001 0.000 0.267 290 T C 1.913 176.655 174.700 0.069 0.000 1.036 290 T CA 1.532 63.686 62.100 0.089 0.000 1.148 290 T CB -1.086 67.825 68.868 0.072 0.000 0.863 290 T HN 0.110 nan 8.240 nan 0.000 0.436 291 V N 2.044 121.949 119.914 -0.015 0.000 2.282 291 V HA -0.224 3.895 4.120 -0.001 0.000 0.249 291 V C 3.085 179.222 176.094 0.073 0.000 1.057 291 V CA 2.479 64.701 62.300 -0.130 0.000 1.032 291 V CB -1.472 30.270 31.823 -0.134 0.000 0.645 291 V HN 0.616 nan 8.190 nan 0.000 0.447 292 T N -0.351 114.271 114.554 0.113 0.000 2.746 292 T HA -0.148 4.202 4.350 -0.001 0.000 0.267 292 T C 1.888 176.683 174.700 0.158 0.000 1.039 292 T CA 1.672 63.861 62.100 0.149 0.000 1.142 292 T CB -0.150 68.806 68.868 0.148 0.000 0.866 292 T HN 0.285 nan 8.240 nan 0.000 0.444 293 V N 1.370 121.372 119.914 0.148 0.000 2.346 293 V HA -0.050 4.069 4.120 -0.001 0.000 0.244 293 V C 2.856 179.109 176.094 0.266 0.000 1.037 293 V CA 1.404 63.783 62.300 0.131 0.000 1.029 293 V CB -1.178 30.700 31.823 0.092 0.000 0.663 293 V HN 0.493 nan 8.190 nan 0.000 0.454 294 A N 0.210 123.237 122.820 0.346 0.000 1.884 294 A HA -0.352 3.967 4.320 -0.001 0.000 0.219 294 A C 1.957 179.878 177.584 0.561 0.000 1.197 294 A CA 2.488 54.838 52.037 0.521 0.000 0.637 294 A CB -0.899 18.377 19.000 0.461 0.000 0.827 294 A HN 0.543 nan 8.150 nan 0.000 0.450 295 D N -0.167 120.536 120.400 0.505 0.000 2.127 295 D HA -0.177 4.463 4.640 -0.001 0.000 0.190 295 D C 1.858 178.330 176.300 0.287 0.000 1.000 295 D CA 1.595 55.855 54.000 0.434 0.000 0.839 295 D CB -0.445 40.562 40.800 0.343 0.000 0.955 295 D HN 0.472 nan 8.370 nan 0.000 0.446 296 L N -0.505 120.854 121.223 0.227 0.000 2.201 296 L HA -0.114 4.225 4.340 -0.001 0.000 0.212 296 L C 2.260 179.254 176.870 0.205 0.000 1.105 296 L CA 0.291 55.217 54.840 0.144 0.000 0.775 296 L CB -0.222 41.882 42.059 0.074 0.000 0.913 296 L HN -0.013 nan 8.230 nan 0.000 0.440 297 F N 0.247 120.248 119.950 0.084 0.000 2.098 297 F HA -0.231 4.295 4.527 -0.001 0.000 0.294 297 F C 2.355 178.036 175.800 -0.198 0.000 1.107 297 F CA 1.030 59.086 58.000 0.093 0.000 1.234 297 F CB -0.688 38.515 39.000 0.338 0.000 1.002 297 F HN 0.027 nan 8.300 nan 0.000 0.472 298 F N 1.096 120.770 119.950 -0.460 0.000 2.051 298 F HA -0.089 4.438 4.527 -0.001 0.000 0.296 298 F C 2.355 177.842 175.800 -0.521 0.000 1.122 298 F CA 1.940 59.347 58.000 -0.988 0.000 1.201 298 F CB -1.237 37.536 39.000 -0.378 0.000 0.978 298 F HN -0.035 nan 8.300 nan 0.000 0.472 299 A N -0.045 122.535 122.820 -0.401 0.000 1.972 299 A HA 0.013 4.332 4.320 -0.001 0.000 0.219 299 A C 2.401 179.818 177.584 -0.279 0.000 1.169 299 A CA 1.531 53.303 52.037 -0.442 0.000 0.635 299 A CB -1.695 17.182 19.000 -0.205 0.000 0.810 299 A HN 0.544 nan 8.150 nan 0.000 0.446 300 G N -2.083 106.631 108.800 -0.143 0.000 2.623 300 G HA2 0.110 4.069 3.960 -0.001 0.000 0.214 300 G HA3 0.110 4.069 3.960 -0.001 0.000 0.214 300 G C 1.340 176.217 174.900 -0.037 0.000 1.138 300 G CA 1.350 46.431 45.100 -0.031 0.000 0.794 300 G HN 0.435 nan 8.290 nan 0.000 0.535 301 T N -0.079 114.385 114.554 -0.151 0.000 3.021 301 T HA 0.079 4.428 4.350 -0.001 0.000 0.245 301 T C 2.056 176.658 174.700 -0.164 0.000 1.028 301 T CA 1.057 63.097 62.100 -0.101 0.000 1.139 301 T CB 0.297 69.128 68.868 -0.063 0.000 0.884 301 T HN 0.265 nan 8.240 nan 0.000 0.457 302 E N 1.185 121.176 120.200 -0.349 0.000 2.127 302 E HA -0.028 4.321 4.350 -0.001 0.000 0.191 302 E C 2.344 178.648 176.600 -0.493 0.000 0.964 302 E CA 1.245 57.414 56.400 -0.385 0.000 0.832 302 E CB -0.286 29.149 29.700 -0.441 0.000 0.790 302 E HN 0.517 nan 8.360 nan 0.000 0.465 303 T N -2.002 112.237 114.554 -0.524 0.000 2.788 303 T HA -0.129 4.221 4.350 -0.001 0.000 0.268 303 T C 1.896 176.479 174.700 -0.195 0.000 1.044 303 T CA 1.719 63.574 62.100 -0.408 0.000 1.139 303 T CB -0.844 67.836 68.868 -0.314 0.000 0.867 303 T HN 0.047 nan 8.240 nan 0.000 0.454 304 T N 1.894 116.373 114.554 -0.125 0.000 2.737 304 T HA -0.093 4.257 4.350 -0.001 0.000 0.265 304 T C 2.308 176.999 174.700 -0.015 0.000 1.038 304 T CA 1.379 63.465 62.100 -0.024 0.000 1.144 304 T CB -0.722 68.162 68.868 0.026 0.000 0.866 304 T HN 0.502 nan 8.240 nan 0.000 0.434 305 S N 0.997 116.669 115.700 -0.047 0.000 2.359 305 S HA -0.221 4.248 4.470 -0.001 0.000 0.222 305 S C 2.225 176.809 174.600 -0.027 0.000 1.038 305 S CA 2.260 60.439 58.200 -0.036 0.000 1.051 305 S CB -1.070 62.092 63.200 -0.064 0.000 0.944 305 S HN 0.576 nan 8.310 nan 0.000 0.433 306 T N 1.405 115.923 114.554 -0.059 0.000 2.665 306 T HA -0.124 4.225 4.350 -0.001 0.000 0.268 306 T C 1.964 176.737 174.700 0.123 0.000 1.035 306 T CA 2.060 64.170 62.100 0.016 0.000 1.151 306 T CB -1.210 67.670 68.868 0.020 0.000 0.862 306 T HN 0.563 nan 8.240 nan 0.000 0.438 307 T N 2.328 116.942 114.554 0.100 0.000 2.684 307 T HA -0.001 4.348 4.350 -0.001 0.000 0.267 307 T C 2.016 176.812 174.700 0.159 0.000 1.036 307 T CA 0.982 63.167 62.100 0.143 0.000 1.148 307 T CB -0.557 68.355 68.868 0.073 0.000 0.863 307 T HN 0.232 nan 8.240 nan 0.000 0.436 308 L N 0.428 121.718 121.223 0.112 0.000 2.042 308 L HA -0.119 4.221 4.340 -0.001 0.000 0.210 308 L C 2.869 179.813 176.870 0.123 0.000 1.076 308 L CA 1.480 56.386 54.840 0.110 0.000 0.749 308 L CB -0.421 41.691 42.059 0.088 0.000 0.893 308 L HN 0.186 nan 8.230 nan 0.000 0.432 309 R N -1.029 119.536 120.500 0.108 0.000 2.092 309 R HA -0.202 4.137 4.340 -0.001 0.000 0.231 309 R C 2.363 178.780 176.300 0.196 0.000 1.119 309 R CA 1.327 57.495 56.100 0.115 0.000 0.970 309 R CB -0.414 29.893 30.300 0.011 0.000 0.864 309 R HN 0.280 nan 8.270 nan 0.000 0.440 310 Y N 0.141 120.506 120.300 0.108 0.000 2.165 310 Y HA -0.173 4.377 4.550 -0.001 0.000 0.286 310 Y C 2.353 178.269 175.900 0.027 0.000 1.155 310 Y CA 1.282 59.435 58.100 0.089 0.000 1.164 310 Y CB -0.303 38.225 38.460 0.114 0.000 0.978 310 Y HN 0.321 nan 8.280 nan 0.000 0.513 311 G N -0.245 108.692 108.800 0.229 0.000 2.440 311 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.218 311 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.218 311 G C 1.388 176.308 174.900 0.033 0.000 1.154 311 G CA 1.096 46.259 45.100 0.104 0.000 0.767 311 G HN 0.226 nan 8.290 nan 0.000 0.552 312 L N -0.124 121.140 121.223 0.067 0.000 2.056 312 L HA 0.113 4.452 4.340 -0.001 0.000 0.207 312 L C 2.681 179.500 176.870 -0.084 0.000 1.078 312 L CA 0.939 55.802 54.840 0.038 0.000 0.749 312 L CB -1.137 40.995 42.059 0.121 0.000 0.901 312 L HN 0.222 nan 8.230 nan 0.000 0.433 313 L N -0.680 120.424 121.223 -0.199 0.000 2.079 313 L HA -0.202 4.138 4.340 -0.001 0.000 0.210 313 L C 2.334 179.044 176.870 -0.266 0.000 1.081 313 L CA 1.676 56.246 54.840 -0.450 0.000 0.752 313 L CB -0.326 41.354 42.059 -0.630 0.000 0.896 313 L HN 0.184 nan 8.230 nan 0.000 0.433 314 I N -1.383 119.078 120.570 -0.181 0.000 2.252 314 I HA -0.302 3.867 4.170 -0.001 0.000 0.245 314 I C 2.271 178.235 176.117 -0.255 0.000 1.102 314 I CA 1.175 62.290 61.300 -0.309 0.000 1.385 314 I CB -0.282 37.381 38.000 -0.561 0.000 1.064 314 I HN 0.226 nan 8.210 nan 0.000 0.414 315 L N -0.246 120.874 121.223 -0.171 0.000 2.141 315 L HA -0.174 4.166 4.340 -0.001 0.000 0.209 315 L C 2.564 179.401 176.870 -0.057 0.000 1.094 315 L CA 1.147 55.949 54.840 -0.063 0.000 0.763 315 L CB -0.310 41.735 42.059 -0.023 0.000 0.908 315 L HN 0.302 nan 8.230 nan 0.000 0.437 316 M N -0.673 118.857 119.600 -0.117 0.000 2.319 316 M HA -0.187 4.293 4.480 -0.001 0.000 0.265 316 M C 2.222 178.395 176.300 -0.210 0.000 1.068 316 M CA 1.323 56.545 55.300 -0.128 0.000 1.118 316 M CB -0.195 32.314 32.600 -0.152 0.000 1.395 316 M HN 0.135 nan 8.290 nan 0.000 0.435 317 K N 0.084 120.275 120.400 -0.348 0.000 2.217 317 K HA -0.110 4.209 4.320 -0.001 0.000 0.202 317 K C -0.507 175.607 176.600 -0.811 0.000 1.051 317 K CA 0.922 56.840 56.287 -0.615 0.000 0.952 317 K CB 0.357 32.357 32.500 -0.833 0.000 0.736 317 K HN 0.213 nan 8.250 nan 0.000 0.453 318 Y N 0.133 120.383 120.300 -0.084 0.000 2.837 318 Y HA 0.278 4.827 4.550 -0.001 0.000 0.356 318 Y C -2.118 173.786 175.900 0.006 0.000 1.035 318 Y CA -2.748 55.336 58.100 -0.027 0.000 1.165 318 Y CB 1.377 39.830 38.460 -0.013 0.000 1.147 318 Y HN 0.078 nan 8.280 nan 0.000 0.628 319 P HA -0.157 nan 4.420 nan 0.000 0.218 319 P C 1.021 178.395 177.300 0.124 0.000 1.148 319 P CA 1.491 64.643 63.100 0.086 0.000 0.822 319 P CB 0.540 32.272 31.700 0.053 0.000 0.784 320 E N -0.753 119.528 120.200 0.136 0.000 2.153 320 E HA -0.124 4.226 4.350 -0.001 0.000 0.194 320 E C 1.923 178.616 176.600 0.156 0.000 0.988 320 E CA 0.819 57.294 56.400 0.125 0.000 0.811 320 E CB -0.622 29.143 29.700 0.109 0.000 0.746 320 E HN 0.256 nan 8.360 nan 0.000 0.466 321 I N 0.671 121.375 120.570 0.223 0.000 2.252 321 I HA -0.226 3.943 4.170 -0.001 0.000 0.245 321 I C 2.511 178.783 176.117 0.259 0.000 1.102 321 I CA 1.012 62.496 61.300 0.306 0.000 1.385 321 I CB -0.155 38.034 38.000 0.315 0.000 1.064 321 I HN 0.131 nan 8.210 nan 0.000 0.414 322 E N 0.880 121.175 120.200 0.159 0.000 2.110 322 E HA -0.280 4.069 4.350 -0.001 0.000 0.193 322 E C 2.089 178.728 176.600 0.066 0.000 0.988 322 E CA 1.214 57.650 56.400 0.060 0.000 0.804 322 E CB 0.131 29.873 29.700 0.070 0.000 0.745 322 E HN 0.260 nan 8.360 nan 0.000 0.458 323 E N 1.143 121.433 120.200 0.149 0.000 2.031 323 E HA -0.172 4.178 4.350 -0.001 0.000 0.193 323 E C 1.906 178.573 176.600 0.111 0.000 0.994 323 E CA 1.297 57.799 56.400 0.170 0.000 0.800 323 E CB -0.090 29.681 29.700 0.118 0.000 0.752 323 E HN 0.117 nan 8.360 nan 0.000 0.447 324 K N -0.143 120.283 120.400 0.043 0.000 2.074 324 K HA -0.166 4.153 4.320 -0.001 0.000 0.209 324 K C 2.050 178.661 176.600 0.019 0.000 1.048 324 K CA 1.042 57.270 56.287 -0.099 0.000 0.926 324 K CB -0.237 31.991 32.500 -0.454 0.000 0.713 324 K HN 0.047 nan 8.250 nan 0.000 0.444 325 L N 0.846 122.168 121.223 0.165 0.000 1.994 325 L HA -0.209 4.130 4.340 -0.001 0.000 0.208 325 L C 2.243 179.146 176.870 0.055 0.000 1.071 325 L CA 1.913 56.842 54.840 0.149 0.000 0.745 325 L CB -1.096 40.999 42.059 0.061 0.000 0.892 325 L HN 0.355 nan 8.230 nan 0.000 0.431 326 H N -0.160 118.960 119.070 0.083 0.000 2.353 326 H HA -0.192 4.363 4.556 -0.001 0.000 0.298 326 H C 2.107 177.449 175.328 0.025 0.000 1.103 326 H CA 1.803 57.879 56.048 0.046 0.000 1.293 326 H CB -0.058 29.728 29.762 0.040 0.000 1.372 326 H HN 0.540 nan 8.280 nan 0.000 0.501 327 E N 0.867 121.153 120.200 0.143 0.000 2.152 327 E HA -0.118 4.232 4.350 -0.001 0.000 0.192 327 E C 2.068 178.700 176.600 0.054 0.000 0.983 327 E CA 1.260 57.703 56.400 0.072 0.000 0.818 327 E CB -0.324 29.398 29.700 0.037 0.000 0.758 327 E HN 0.505 nan 8.360 nan 0.000 0.467 328 E N 0.309 120.544 120.200 0.059 0.000 2.077 328 E HA -0.155 4.195 4.350 -0.001 0.000 0.193 328 E C 1.966 178.606 176.600 0.067 0.000 0.989 328 E CA 1.330 57.770 56.400 0.066 0.000 0.800 328 E CB -0.103 29.659 29.700 0.103 0.000 0.746 328 E HN 0.402 nan 8.360 nan 0.000 0.452 329 I N 1.317 121.927 120.570 0.066 0.000 2.142 329 I HA -0.283 3.886 4.170 -0.001 0.000 0.240 329 I C 1.986 178.124 176.117 0.034 0.000 1.078 329 I CA 1.320 62.647 61.300 0.045 0.000 1.343 329 I CB -0.233 37.789 38.000 0.038 0.000 1.046 329 I HN 0.064 nan 8.210 nan 0.000 0.405 330 D N 0.495 120.916 120.400 0.035 0.000 2.127 330 D HA -0.262 4.378 4.640 -0.001 0.000 0.190 330 D C 2.163 178.474 176.300 0.018 0.000 1.000 330 D CA 1.373 55.382 54.000 0.015 0.000 0.839 330 D CB -0.433 40.376 40.800 0.015 0.000 0.955 330 D HN 0.177 nan 8.370 nan 0.000 0.446 331 R N 0.228 120.744 120.500 0.026 0.000 2.113 331 R HA -0.165 4.175 4.340 -0.001 0.000 0.244 331 R C 1.917 178.235 176.300 0.030 0.000 1.142 331 R CA 1.541 57.657 56.100 0.025 0.000 0.953 331 R CB -0.205 30.111 30.300 0.028 0.000 0.860 331 R HN 0.122 nan 8.270 nan 0.000 0.438 332 V N -0.633 119.305 119.914 0.040 0.000 3.125 332 V HA 0.032 4.151 4.120 -0.001 0.000 0.249 332 V C 1.713 177.834 176.094 0.045 0.000 1.113 332 V CA 1.103 63.431 62.300 0.048 0.000 1.106 332 V CB 0.331 32.195 31.823 0.068 0.000 0.768 332 V HN 0.332 nan 8.190 nan 0.000 0.468 333 I N -1.522 119.070 120.570 0.037 0.000 4.530 333 I HA 0.506 4.676 4.170 -0.001 0.000 0.318 333 I C 1.147 177.273 176.117 0.014 0.000 1.257 333 I CA 0.725 62.045 61.300 0.033 0.000 1.301 333 I CB 0.774 38.794 38.000 0.034 0.000 1.297 333 I HN 0.382 nan 8.210 nan 0.000 0.451 334 G N 2.312 111.113 108.800 0.003 0.000 2.829 334 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.628 334 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.628 334 G C -2.452 172.421 174.900 -0.045 0.000 1.412 334 G CA -0.578 44.514 45.100 -0.013 0.000 0.864 334 G HN 0.051 nan 8.290 nan 0.000 0.544 335 P HA 0.165 nan 4.420 nan 0.000 0.239 335 P C 1.163 178.381 177.300 -0.136 0.000 1.184 335 P CA 1.606 64.628 63.100 -0.130 0.000 0.760 335 P CB 0.499 32.140 31.700 -0.098 0.000 0.884 336 S N -1.927 113.743 115.700 -0.052 0.000 3.056 336 S HA 0.141 4.611 4.470 -0.001 0.000 0.255 336 S C 0.832 175.464 174.600 0.053 0.000 1.079 336 S CA -0.317 57.888 58.200 0.009 0.000 0.810 336 S CB 0.016 63.225 63.200 0.016 0.000 0.810 336 S HN -0.099 nan 8.310 nan 0.000 0.477 337 R N 2.370 122.892 120.500 0.037 0.000 2.449 337 R HA 0.139 4.478 4.340 -0.001 0.000 0.296 337 R C -0.398 175.944 176.300 0.071 0.000 1.047 337 R CA -0.041 56.088 56.100 0.048 0.000 1.018 337 R CB -0.123 30.199 30.300 0.037 0.000 0.962 337 R HN 0.449 nan 8.270 nan 0.000 0.428 338 I N 7.637 128.255 120.570 0.080 0.000 2.683 338 I HA 0.025 4.194 4.170 -0.001 0.000 0.286 338 I C -1.821 174.349 176.117 0.088 0.000 1.175 338 I CA -1.290 60.068 61.300 0.096 0.000 1.429 338 I CB 0.735 38.782 38.000 0.078 0.000 1.371 338 I HN 0.551 nan 8.210 nan 0.000 0.569 339 P HA 0.256 nan 4.420 nan 0.000 0.270 339 P C -1.540 175.842 177.300 0.136 0.000 1.227 339 P CA -0.186 62.975 63.100 0.102 0.000 0.788 339 P CB 0.621 32.353 31.700 0.054 0.000 0.926 340 A N 0.883 123.818 122.820 0.193 0.000 2.594 340 A HA 0.386 4.706 4.320 -0.001 0.000 0.296 340 A C 0.886 178.593 177.584 0.204 0.000 1.061 340 A CA -0.699 51.440 52.037 0.169 0.000 0.689 340 A CB 0.147 19.211 19.000 0.107 0.000 1.280 340 A HN 0.556 nan 8.150 nan 0.000 0.406 341 I N -0.481 120.163 120.570 0.123 0.000 2.530 341 I HA -0.225 3.945 4.170 -0.001 0.000 0.257 341 I C 1.672 177.752 176.117 -0.061 0.000 1.179 341 I CA 1.709 63.010 61.300 0.000 0.000 1.440 341 I CB -0.436 37.535 38.000 -0.048 0.000 1.087 341 I HN 0.656 nan 8.210 nan 0.000 0.440 342 K N 1.399 121.801 120.400 0.005 0.000 2.097 342 K HA -0.106 4.214 4.320 -0.001 0.000 0.205 342 K C 1.653 178.256 176.600 0.005 0.000 1.050 342 K CA 1.492 57.772 56.287 -0.011 0.000 0.938 342 K CB -0.317 32.190 32.500 0.011 0.000 0.718 342 K HN 0.349 nan 8.250 nan 0.000 0.442 343 D N 0.720 121.170 120.400 0.084 0.000 2.228 343 D HA -0.210 4.429 4.640 -0.001 0.000 0.203 343 D C 1.769 178.166 176.300 0.162 0.000 0.988 343 D CA 0.828 54.921 54.000 0.154 0.000 0.864 343 D CB -0.081 40.868 40.800 0.249 0.000 0.928 343 D HN 0.213 nan 8.370 nan 0.000 0.469 344 R N 0.896 121.376 120.500 -0.034 0.000 2.094 344 R HA -0.218 4.122 4.340 -0.001 0.000 0.239 344 R C 2.197 178.416 176.300 -0.136 0.000 1.137 344 R CA 1.877 57.798 56.100 -0.298 0.000 0.943 344 R CB -0.113 29.675 30.300 -0.853 0.000 0.850 344 R HN 0.268 nan 8.270 nan 0.000 0.433 345 Q N 0.367 120.091 119.800 -0.126 0.000 2.439 345 Q HA -0.143 4.197 4.340 -0.001 0.000 0.211 345 Q C 0.871 176.865 176.000 -0.011 0.000 0.978 345 Q CA 1.581 57.337 55.803 -0.078 0.000 0.897 345 Q CB -0.021 28.679 28.738 -0.064 0.000 0.956 345 Q HN 0.586 nan 8.270 nan 0.000 0.483 346 E N 0.165 120.378 120.200 0.021 0.000 2.538 346 E HA 0.140 4.490 4.350 -0.001 0.000 0.207 346 E C 0.078 176.730 176.600 0.087 0.000 1.002 346 E CA -0.125 56.306 56.400 0.052 0.000 0.952 346 E CB 0.277 30.007 29.700 0.050 0.000 1.031 346 E HN 0.387 nan 8.360 nan 0.000 0.476 347 M N 2.568 122.235 119.600 0.112 0.000 2.999 347 M HA 0.227 4.706 4.480 -0.001 0.000 0.206 347 M C -2.005 174.395 176.300 0.165 0.000 1.111 347 M CA -1.814 53.587 55.300 0.169 0.000 0.946 347 M CB 1.424 34.182 32.600 0.263 0.000 1.330 347 M HN -0.176 nan 8.290 nan 0.000 0.533 348 P HA -0.184 nan 4.420 nan 0.000 0.221 348 P C 1.004 178.450 177.300 0.244 0.000 1.150 348 P CA 1.342 64.553 63.100 0.185 0.000 0.800 348 P CB 0.155 31.969 31.700 0.191 0.000 0.787 349 Y N 0.743 121.112 120.300 0.115 0.000 2.092 349 Y HA -0.138 4.411 4.550 -0.001 0.000 0.282 349 Y C 2.760 178.735 175.900 0.126 0.000 1.126 349 Y CA 1.674 59.838 58.100 0.106 0.000 1.111 349 Y CB -1.221 37.284 38.460 0.074 0.000 0.987 349 Y HN -0.249 nan 8.280 nan 0.000 0.489 350 M N 0.577 120.273 119.600 0.160 0.000 2.103 350 M HA -0.293 4.186 4.480 -0.001 0.000 0.255 350 M C 1.810 178.200 176.300 0.151 0.000 1.074 350 M CA 2.483 57.852 55.300 0.114 0.000 1.090 350 M CB -0.835 31.860 32.600 0.158 0.000 1.325 350 M HN 0.305 nan 8.290 nan 0.000 0.403 351 D N -0.639 119.863 120.400 0.169 0.000 2.182 351 D HA -0.095 4.544 4.640 -0.001 0.000 0.201 351 D C 1.825 178.169 176.300 0.075 0.000 0.986 351 D CA 1.637 55.654 54.000 0.028 0.000 0.847 351 D CB -0.166 40.417 40.800 -0.361 0.000 0.942 351 D HN 0.522 nan 8.370 nan 0.000 0.467 352 A N -0.402 122.491 122.820 0.120 0.000 1.929 352 A HA -0.041 4.279 4.320 -0.001 0.000 0.216 352 A C 2.520 180.086 177.584 -0.030 0.000 1.176 352 A CA 1.081 53.184 52.037 0.110 0.000 0.628 352 A CB -0.466 18.571 19.000 0.062 0.000 0.816 352 A HN 0.185 nan 8.150 nan 0.000 0.444 353 V N -0.536 119.327 119.914 -0.085 0.000 2.283 353 V HA -0.186 3.933 4.120 -0.001 0.000 0.243 353 V C 2.575 178.719 176.094 0.085 0.000 1.039 353 V CA 1.821 64.096 62.300 -0.043 0.000 1.016 353 V CB -0.627 31.147 31.823 -0.081 0.000 0.650 353 V HN 0.340 nan 8.190 nan 0.000 0.449 354 V N -0.055 119.925 119.914 0.110 0.000 2.324 354 V HA -0.337 3.782 4.120 -0.001 0.000 0.250 354 V C 2.337 178.462 176.094 0.052 0.000 1.060 354 V CA 2.467 64.843 62.300 0.127 0.000 1.042 354 V CB -0.895 31.039 31.823 0.186 0.000 0.650 354 V HN 0.651 nan 8.190 nan 0.000 0.450 355 H N -0.680 118.251 119.070 -0.232 0.000 2.395 355 H HA -0.073 4.483 4.556 -0.001 0.000 0.299 355 H C 2.238 177.406 175.328 -0.267 0.000 1.070 355 H CA 1.518 57.240 56.048 -0.543 0.000 1.356 355 H CB -0.063 28.715 29.762 -1.641 0.000 1.401 355 H HN 0.454 nan 8.280 nan 0.000 0.524 356 E N 0.825 121.004 120.200 -0.034 0.000 2.107 356 E HA -0.064 4.286 4.350 -0.001 0.000 0.191 356 E C 1.960 178.703 176.600 0.238 0.000 0.982 356 E CA 0.662 57.103 56.400 0.068 0.000 0.809 356 E CB -0.318 29.193 29.700 -0.315 0.000 0.756 356 E HN 0.442 nan 8.360 nan 0.000 0.459 357 I N 0.667 121.467 120.570 0.383 0.000 2.194 357 I HA -0.369 3.800 4.170 -0.001 0.000 0.246 357 I C 2.319 178.601 176.117 0.276 0.000 1.093 357 I CA 1.703 63.261 61.300 0.429 0.000 1.355 357 I CB -0.332 37.838 38.000 0.283 0.000 1.046 357 I HN 0.252 nan 8.210 nan 0.000 0.413 358 Q N -0.274 119.661 119.800 0.226 0.000 2.187 358 Q HA -0.137 4.202 4.340 -0.001 0.000 0.199 358 Q C 2.308 178.382 176.000 0.122 0.000 0.957 358 Q CA 0.702 56.587 55.803 0.137 0.000 0.857 358 Q CB -0.139 28.676 28.738 0.128 0.000 0.929 358 Q HN 0.421 nan 8.270 nan 0.000 0.453 359 R N 0.402 121.052 120.500 0.250 0.000 2.055 359 R HA -0.117 4.222 4.340 -0.001 0.000 0.228 359 R C 2.077 178.498 176.300 0.201 0.000 1.143 359 R CA 1.121 57.328 56.100 0.179 0.000 0.945 359 R CB -0.333 30.073 30.300 0.176 0.000 0.841 359 R HN 0.245 nan 8.270 nan 0.000 0.429 360 F N 2.277 122.284 119.950 0.095 0.000 2.154 360 F HA -0.207 4.319 4.527 -0.001 0.000 0.301 360 F C 2.032 177.919 175.800 0.145 0.000 1.087 360 F CA 1.913 60.012 58.000 0.165 0.000 1.274 360 F CB -0.124 39.043 39.000 0.277 0.000 1.009 360 F HN 0.168 nan 8.300 nan 0.000 0.485 361 I N -1.685 118.881 120.570 -0.007 0.000 3.226 361 I HA 0.088 4.258 4.170 -0.001 0.000 0.277 361 I C 0.892 176.889 176.117 -0.200 0.000 1.243 361 I CA 0.836 61.953 61.300 -0.305 0.000 1.459 361 I CB -1.325 36.386 38.000 -0.481 0.000 1.093 361 I HN 0.194 nan 8.210 nan 0.000 0.453 362 T N 0.205 114.687 114.554 -0.120 0.000 3.361 362 T HA -0.245 4.105 4.350 -0.001 0.000 0.417 362 T C 0.621 175.253 174.700 -0.113 0.000 0.769 362 T CA 0.920 62.937 62.100 -0.140 0.000 2.085 362 T CB -2.295 66.439 68.868 -0.224 0.000 1.689 362 T HN 0.562 nan 8.240 nan 0.000 0.639 363 L N 1.423 122.600 121.223 -0.076 0.000 2.043 363 L HA 0.163 4.503 4.340 -0.001 0.000 0.212 363 L C 1.775 178.658 176.870 0.023 0.000 1.075 363 L CA 2.303 57.159 54.840 0.027 0.000 0.752 363 L CB -0.146 41.937 42.059 0.040 0.000 0.891 363 L HN 0.889 nan 8.230 nan 0.000 0.432 364 V N 1.481 121.346 119.914 -0.082 0.000 2.225 364 V HA 0.345 4.465 4.120 -0.001 0.000 0.264 364 V C -1.572 174.432 176.094 -0.151 0.000 1.067 364 V CA -1.362 60.852 62.300 -0.143 0.000 0.903 364 V CB 0.636 32.337 31.823 -0.204 0.000 1.136 364 V HN 0.203 nan 8.190 nan 0.000 0.456 365 P HA -0.021 nan 4.420 nan 0.000 0.221 365 P C 0.857 178.113 177.300 -0.074 0.000 1.150 365 P CA 0.841 63.870 63.100 -0.117 0.000 0.800 365 P CB 0.452 32.078 31.700 -0.122 0.000 0.787 366 S N -0.528 115.138 115.700 -0.058 0.000 2.574 366 S HA 0.127 4.596 4.470 -0.001 0.000 0.242 366 S C 0.393 174.958 174.600 -0.059 0.000 0.982 366 S CA -0.437 57.770 58.200 0.011 0.000 0.977 366 S CB -0.836 62.431 63.200 0.111 0.000 0.814 366 S HN 0.161 nan 8.310 nan 0.000 0.464 367 N N 0.675 119.309 118.700 -0.111 0.000 6.631 367 N HA -0.194 4.546 4.740 -0.001 0.000 0.405 367 N C -0.979 174.439 175.510 -0.154 0.000 0.935 367 N CA 0.519 53.495 53.050 -0.123 0.000 1.347 367 N CB -0.622 37.805 38.487 -0.100 0.000 0.808 367 N HN 0.216 nan 8.380 nan 0.000 0.362 368 L N 2.139 123.286 121.223 -0.126 0.000 2.379 368 L HA 0.545 4.884 4.340 -0.001 0.000 0.269 368 L C -1.465 175.397 176.870 -0.013 0.000 1.084 368 L CA -1.315 53.446 54.840 -0.132 0.000 0.802 368 L CB 0.439 42.385 42.059 -0.188 0.000 1.175 368 L HN 0.468 nan 8.230 nan 0.000 0.448 369 P HA 0.141 nan 4.420 nan 0.000 0.275 369 P C -0.790 176.518 177.300 0.013 0.000 1.228 369 P CA -0.090 63.012 63.100 0.003 0.000 0.786 369 P CB 0.702 32.396 31.700 -0.009 0.000 0.927 370 H N 0.576 119.538 119.070 -0.180 0.000 2.615 370 H HA 0.397 4.953 4.556 -0.001 0.000 0.346 370 H C 0.239 175.456 175.328 -0.184 0.000 1.200 370 H CA -0.588 55.351 56.048 -0.181 0.000 1.264 370 H CB 1.955 31.607 29.762 -0.183 0.000 1.699 370 H HN 0.546 nan 8.280 nan 0.000 0.567 371 E N -0.132 120.046 120.200 -0.037 0.000 2.408 371 E HA 0.611 4.960 4.350 -0.001 0.000 0.275 371 E C -1.523 175.098 176.600 0.036 0.000 0.935 371 E CA -1.360 55.007 56.400 -0.055 0.000 0.775 371 E CB 1.676 31.336 29.700 -0.067 0.000 1.277 371 E HN 0.583 nan 8.360 nan 0.000 0.455 372 A N 1.229 124.087 122.820 0.062 0.000 2.451 372 A HA 0.254 4.574 4.320 -0.001 0.000 0.266 372 A C 1.051 178.688 177.584 0.087 0.000 1.119 372 A CA 0.269 52.422 52.037 0.193 0.000 0.786 372 A CB -0.006 19.115 19.000 0.202 0.000 1.061 372 A HN 0.765 nan 8.150 nan 0.000 0.503 373 T N 0.960 115.561 114.554 0.080 0.000 2.978 373 T HA 0.085 4.434 4.350 -0.001 0.000 0.262 373 T C 0.870 175.590 174.700 0.033 0.000 1.063 373 T CA 0.644 62.764 62.100 0.034 0.000 1.140 373 T CB -0.013 68.868 68.868 0.023 0.000 0.886 373 T HN 0.635 nan 8.240 nan 0.000 0.470 374 R N 1.285 121.808 120.500 0.038 0.000 2.778 374 R HA 0.423 4.762 4.340 -0.001 0.000 0.277 374 R C -1.453 174.876 176.300 0.048 0.000 0.977 374 R CA -0.920 55.199 56.100 0.031 0.000 0.950 374 R CB 1.037 31.345 30.300 0.013 0.000 1.165 374 R HN 0.142 nan 8.270 nan 0.000 0.474 375 D N 1.723 122.149 120.400 0.042 0.000 2.502 375 D HA 0.026 4.665 4.640 -0.001 0.000 0.249 375 D C -0.536 175.800 176.300 0.060 0.000 1.188 375 D CA 1.292 55.322 54.000 0.051 0.000 0.890 375 D CB 0.575 41.399 40.800 0.041 0.000 1.140 375 D HN 0.248 nan 8.370 nan 0.000 0.505 376 T N 2.468 117.075 114.554 0.088 0.000 2.908 376 T HA 0.567 4.916 4.350 -0.001 0.000 0.290 376 T C -0.030 174.751 174.700 0.135 0.000 1.034 376 T CA -0.641 61.517 62.100 0.096 0.000 1.010 376 T CB 1.302 70.199 68.868 0.048 0.000 1.068 376 T HN 0.056 nan 8.240 nan 0.000 0.481 377 I N 2.482 123.142 120.570 0.149 0.000 2.336 377 I HA 0.546 4.715 4.170 -0.001 0.000 0.292 377 I C -1.047 175.194 176.117 0.206 0.000 0.991 377 I CA -0.521 60.875 61.300 0.160 0.000 1.227 377 I CB 0.822 38.885 38.000 0.105 0.000 1.366 377 I HN 0.564 nan 8.210 nan 0.000 0.466 378 F N 5.824 125.778 119.950 0.008 0.000 2.579 378 F HA 0.464 4.991 4.527 -0.001 0.000 0.325 378 F C 0.566 176.381 175.800 0.025 0.000 1.162 378 F CA -0.727 57.216 58.000 -0.094 0.000 0.946 378 F CB 0.768 39.676 39.000 -0.153 0.000 1.211 378 F HN 0.475 nan 8.300 nan 0.000 0.447 379 R N 3.906 124.134 120.500 -0.454 0.000 3.484 379 R HA -0.233 4.106 4.340 -0.001 0.000 0.260 379 R C 1.020 177.101 176.300 -0.366 0.000 1.053 379 R CA 0.992 56.892 56.100 -0.333 0.000 0.703 379 R CB -2.017 28.126 30.300 -0.260 0.000 1.089 379 R HN 1.480 nan 8.270 nan 0.000 0.459 380 G N -1.880 106.782 108.800 -0.229 0.000 2.159 380 G HA2 -0.357 3.603 3.960 -0.001 0.000 0.256 380 G HA3 -0.357 3.603 3.960 -0.001 0.000 0.256 380 G C -0.200 174.543 174.900 -0.261 0.000 0.977 380 G CA 0.470 45.422 45.100 -0.247 0.000 0.652 380 G HN 0.389 nan 8.290 nan 0.000 0.531 381 Y N -0.907 119.434 120.300 0.068 0.000 2.361 381 Y HA 0.641 5.191 4.550 -0.001 0.000 0.332 381 Y C 0.545 176.492 175.900 0.080 0.000 1.101 381 Y CA -1.444 56.700 58.100 0.074 0.000 1.137 381 Y CB 1.433 39.948 38.460 0.091 0.000 1.207 381 Y HN 0.201 nan 8.280 nan 0.000 0.463 382 L N 4.440 125.797 121.223 0.224 0.000 2.361 382 L HA 0.385 4.724 4.340 -0.001 0.000 0.278 382 L C -1.003 175.940 176.870 0.122 0.000 1.113 382 L CA 0.034 54.961 54.840 0.146 0.000 0.849 382 L CB -0.203 41.916 42.059 0.102 0.000 1.155 382 L HN 0.477 nan 8.230 nan 0.000 0.452 383 I N 8.463 129.103 120.570 0.117 0.000 2.347 383 I HA 0.359 4.528 4.170 -0.001 0.000 0.283 383 I C -2.002 174.151 176.117 0.062 0.000 1.058 383 I CA -1.848 59.488 61.300 0.060 0.000 1.202 383 I CB 0.754 38.798 38.000 0.074 0.000 1.386 383 I HN 0.556 nan 8.210 nan 0.000 0.475 384 P HA -0.097 nan 4.420 nan 0.000 0.264 384 P C -0.245 177.069 177.300 0.022 0.000 1.179 384 P CA -0.134 62.980 63.100 0.024 0.000 0.763 384 P CB 0.416 32.120 31.700 0.006 0.000 0.806 385 K N 2.637 123.055 120.400 0.030 0.000 2.527 385 K HA 0.130 4.450 4.320 -0.001 0.000 0.278 385 K C 1.225 177.828 176.600 0.005 0.000 0.981 385 K CA 0.979 57.282 56.287 0.027 0.000 1.009 385 K CB -0.684 31.831 32.500 0.024 0.000 0.895 385 K HN 0.735 nan 8.250 nan 0.000 0.493 386 G N 2.246 111.046 108.800 -0.001 0.000 2.189 386 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.267 386 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.267 386 G C 0.126 174.993 174.900 -0.054 0.000 0.975 386 G CA 0.589 45.675 45.100 -0.023 0.000 0.644 386 G HN 0.697 nan 8.290 nan 0.000 0.537 387 T N 1.309 115.822 114.554 -0.068 0.000 2.853 387 T HA 0.402 4.752 4.350 -0.001 0.000 0.298 387 T C 0.962 175.563 174.700 -0.166 0.000 0.978 387 T CA -0.033 61.988 62.100 -0.132 0.000 1.152 387 T CB 1.724 70.499 68.868 -0.156 0.000 0.914 387 T HN 0.392 nan 8.240 nan 0.000 0.539 388 V N 4.863 124.667 119.914 -0.184 0.000 2.655 388 V HA 0.164 4.283 4.120 -0.001 0.000 0.300 388 V C 0.377 176.297 176.094 -0.289 0.000 1.044 388 V CA -0.112 62.075 62.300 -0.188 0.000 1.095 388 V CB 1.118 32.848 31.823 -0.154 0.000 0.952 388 V HN 0.608 nan 8.190 nan 0.000 0.485 389 V N 5.334 125.062 119.914 -0.311 0.000 2.531 389 V HA 0.413 4.533 4.120 -0.001 0.000 0.301 389 V C -0.397 175.441 176.094 -0.427 0.000 1.034 389 V CA -0.472 61.528 62.300 -0.501 0.000 0.865 389 V CB 2.203 33.566 31.823 -0.767 0.000 0.995 389 V HN 0.587 nan 8.190 nan 0.000 0.424 390 V N 7.372 126.986 119.914 -0.500 0.000 2.305 390 V HA 0.351 4.471 4.120 -0.001 0.000 0.275 390 V C -2.532 173.294 176.094 -0.446 0.000 1.020 390 V CA -1.720 60.335 62.300 -0.409 0.000 0.811 390 V CB 1.623 33.216 31.823 -0.383 0.000 1.031 390 V HN 0.751 nan 8.190 nan 0.000 0.439 391 P HA 0.211 nan 4.420 nan 0.000 0.251 391 P C 0.324 177.479 177.300 -0.242 0.000 1.718 391 P CA -0.205 62.677 63.100 -0.363 0.000 1.119 391 P CB 0.162 31.605 31.700 -0.428 0.000 1.762 392 T N 3.805 118.233 114.554 -0.210 0.000 2.800 392 T HA -0.015 4.334 4.350 -0.001 0.000 0.283 392 T C 1.480 176.109 174.700 -0.117 0.000 0.999 392 T CA 0.761 62.791 62.100 -0.117 0.000 1.176 392 T CB -0.023 68.797 68.868 -0.080 0.000 0.973 392 T HN 0.240 nan 8.240 nan 0.000 0.519 393 L N 3.090 124.256 121.223 -0.095 0.000 2.298 393 L HA 0.073 4.413 4.340 -0.001 0.000 0.209 393 L C 2.634 179.458 176.870 -0.078 0.000 1.084 393 L CA 0.274 55.062 54.840 -0.088 0.000 0.816 393 L CB -0.366 41.631 42.059 -0.103 0.000 0.967 393 L HN 0.632 nan 8.230 nan 0.000 0.460 394 D N 0.621 120.958 120.400 -0.105 0.000 2.133 394 D HA -0.249 4.390 4.640 -0.001 0.000 0.195 394 D C 2.006 178.244 176.300 -0.103 0.000 0.997 394 D CA 1.950 55.859 54.000 -0.151 0.000 0.840 394 D CB -0.421 40.247 40.800 -0.220 0.000 0.947 394 D HN 0.357 nan 8.370 nan 0.000 0.452 395 S N -0.206 115.404 115.700 -0.149 0.000 2.474 395 S HA -0.057 4.413 4.470 -0.001 0.000 0.235 395 S C 2.121 176.697 174.600 -0.040 0.000 0.997 395 S CA 0.856 58.909 58.200 -0.245 0.000 0.949 395 S CB -0.394 62.262 63.200 -0.907 0.000 0.766 395 S HN 0.219 nan 8.310 nan 0.000 0.517 396 V N 1.453 121.392 119.914 0.042 0.000 2.426 396 V HA 0.142 4.261 4.120 -0.001 0.000 0.242 396 V C 2.381 178.677 176.094 0.337 0.000 1.036 396 V CA 1.088 63.511 62.300 0.205 0.000 1.044 396 V CB -0.617 31.300 31.823 0.157 0.000 0.688 396 V HN 0.445 nan 8.190 nan 0.000 0.462 397 L N -1.407 119.962 121.223 0.243 0.000 2.376 397 L HA -0.067 4.273 4.340 -0.001 0.000 0.219 397 L C 1.526 178.583 176.870 0.311 0.000 1.133 397 L CA 1.522 56.517 54.840 0.257 0.000 0.816 397 L CB -0.224 41.925 42.059 0.150 0.000 0.933 397 L HN 0.407 nan 8.230 nan 0.000 0.449 398 Y N -1.445 118.888 120.300 0.055 0.000 2.696 398 Y HA 0.110 4.660 4.550 -0.001 0.000 0.260 398 Y C 0.634 176.588 175.900 0.091 0.000 1.165 398 Y CA -0.875 57.241 58.100 0.027 0.000 1.189 398 Y CB 0.544 38.996 38.460 -0.013 0.000 1.180 398 Y HN 0.035 nan 8.280 nan 0.000 0.538 399 D N 2.088 122.660 120.400 0.288 0.000 2.536 399 D HA -0.124 4.515 4.640 -0.001 0.000 0.260 399 D C 0.801 177.115 176.300 0.024 0.000 1.270 399 D CA 0.635 54.725 54.000 0.150 0.000 0.934 399 D CB 0.477 41.328 40.800 0.086 0.000 1.129 399 D HN 0.672 nan 8.370 nan 0.000 0.533 400 N N 3.198 121.916 118.700 0.032 0.000 2.258 400 N HA -0.275 4.465 4.740 -0.001 0.000 0.187 400 N C 1.190 176.649 175.510 -0.085 0.000 1.012 400 N CA 1.022 54.068 53.050 -0.007 0.000 0.870 400 N CB 0.108 38.611 38.487 0.025 0.000 0.977 400 N HN 0.366 nan 8.380 nan 0.000 0.434 401 Q N 0.558 120.270 119.800 -0.148 0.000 2.036 401 Q HA -0.044 4.295 4.340 -0.001 0.000 0.195 401 Q C 1.997 177.744 176.000 -0.421 0.000 0.971 401 Q CA 1.214 56.880 55.803 -0.228 0.000 0.826 401 Q CB -0.663 27.965 28.738 -0.182 0.000 0.896 401 Q HN 0.478 nan 8.270 nan 0.000 0.449 402 E N -0.118 119.633 120.200 -0.748 0.000 2.118 402 E HA -0.114 4.235 4.350 -0.001 0.000 0.195 402 E C -0.361 175.573 176.600 -1.110 0.000 0.992 402 E CA 0.888 56.563 56.400 -1.208 0.000 0.804 402 E CB 0.111 28.540 29.700 -2.118 0.000 0.741 402 E HN 0.153 nan 8.360 nan 0.000 0.458 403 F N 0.550 120.247 119.950 -0.421 0.000 2.584 403 F HA 0.342 4.868 4.527 -0.001 0.000 0.328 403 F C -2.268 173.377 175.800 -0.258 0.000 1.407 403 F CA -2.975 54.747 58.000 -0.463 0.000 1.145 403 F CB 1.050 39.584 39.000 -0.776 0.000 1.440 403 F HN -0.193 nan 8.300 nan 0.000 0.580 404 P HA -0.049 nan 4.420 nan 0.000 0.263 404 P C -0.264 177.119 177.300 0.138 0.000 1.175 404 P CA 0.620 63.740 63.100 0.034 0.000 0.761 404 P CB 0.356 32.053 31.700 -0.006 0.000 0.794 405 D N 2.535 122.978 120.400 0.072 0.000 2.803 405 D HA -0.156 4.483 4.640 -0.001 0.000 0.233 405 D C -1.484 174.852 176.300 0.061 0.000 1.182 405 D CA 0.257 54.303 54.000 0.077 0.000 0.726 405 D CB -1.049 39.791 40.800 0.066 0.000 0.987 405 D HN 0.398 nan 8.370 nan 0.000 0.412 406 P HA -0.197 nan 4.420 nan 0.000 0.221 406 P C 1.320 178.246 177.300 -0.624 0.000 1.150 406 P CA 1.228 64.068 63.100 -0.433 0.000 0.800 406 P CB 0.223 31.716 31.700 -0.345 0.000 0.787 407 E N -0.009 120.072 120.200 -0.198 0.000 2.516 407 E HA -0.056 4.294 4.350 -0.001 0.000 0.199 407 E C 0.287 177.018 176.600 0.219 0.000 1.069 407 E CA 0.775 57.189 56.400 0.024 0.000 0.876 407 E CB -0.318 29.486 29.700 0.173 0.000 0.843 407 E HN 0.128 nan 8.360 nan 0.000 0.530 408 K N 0.786 121.300 120.400 0.191 0.000 2.207 408 K HA 0.260 4.579 4.320 -0.001 0.000 0.255 408 K C -0.901 175.836 176.600 0.228 0.000 0.941 408 K CA -1.090 55.347 56.287 0.249 0.000 0.825 408 K CB 1.114 33.683 32.500 0.115 0.000 1.119 408 K HN 0.022 nan 8.250 nan 0.000 0.430 409 F N 3.137 123.002 119.950 -0.141 0.000 2.434 409 F HA 0.137 4.663 4.527 -0.001 0.000 0.358 409 F C -0.224 175.357 175.800 -0.365 0.000 1.136 409 F CA 0.163 57.919 58.000 -0.407 0.000 1.157 409 F CB 0.308 38.762 39.000 -0.910 0.000 1.167 409 F HN 0.225 nan 8.300 nan 0.000 0.539 410 K N 8.050 128.060 120.400 -0.650 0.000 2.640 410 K HA 0.235 4.555 4.320 -0.001 0.000 0.245 410 K C -2.223 174.016 176.600 -0.601 0.000 0.962 410 K CA -1.622 54.290 56.287 -0.625 0.000 0.896 410 K CB 1.836 33.862 32.500 -0.790 0.000 1.147 410 K HN 0.228 nan 8.250 nan 0.000 0.445 411 P HA -0.270 nan 4.420 nan 0.000 0.217 411 P C 0.812 178.018 177.300 -0.155 0.000 1.148 411 P CA 1.258 64.160 63.100 -0.330 0.000 0.828 411 P CB 0.284 31.750 31.700 -0.389 0.000 0.783 412 E N -0.994 119.092 120.200 -0.189 0.000 2.331 412 E HA -0.232 4.118 4.350 -0.001 0.000 0.199 412 E C 1.486 177.979 176.600 -0.177 0.000 1.008 412 E CA 1.190 57.502 56.400 -0.146 0.000 0.843 412 E CB -1.638 27.982 29.700 -0.133 0.000 0.761 412 E HN 0.501 nan 8.360 nan 0.000 0.507 413 H N -0.766 118.190 119.070 -0.189 0.000 2.492 413 H HA -0.092 4.464 4.556 -0.001 0.000 0.296 413 H C 0.412 175.409 175.328 -0.553 0.000 1.095 413 H CA 1.260 57.132 56.048 -0.293 0.000 1.281 413 H CB -0.098 29.457 29.762 -0.344 0.000 1.374 413 H HN 0.134 nan 8.280 nan 0.000 0.545 414 F N -0.190 119.721 119.950 -0.065 0.000 2.764 414 F HA 0.300 4.827 4.527 -0.001 0.000 0.310 414 F C -0.550 175.075 175.800 -0.292 0.000 1.124 414 F CA -0.179 57.661 58.000 -0.268 0.000 1.252 414 F CB 0.735 39.562 39.000 -0.288 0.000 1.010 414 F HN -0.124 nan 8.300 nan 0.000 0.518 415 L N 0.785 121.974 121.223 -0.057 0.000 2.365 415 L HA 0.422 4.762 4.340 -0.001 0.000 0.273 415 L C -0.259 176.575 176.870 -0.060 0.000 1.000 415 L CA -1.086 53.742 54.840 -0.021 0.000 0.819 415 L CB 1.708 43.796 42.059 0.048 0.000 1.284 415 L HN 0.082 nan 8.230 nan 0.000 0.418 416 N N 0.305 118.979 118.700 -0.044 0.000 2.408 416 N HA 0.098 4.838 4.740 -0.001 0.000 0.260 416 N C 0.353 175.846 175.510 -0.028 0.000 1.242 416 N CA -0.559 52.462 53.050 -0.049 0.000 0.959 416 N CB 0.592 39.057 38.487 -0.037 0.000 1.201 416 N HN 0.478 nan 8.380 nan 0.000 0.511 417 E N -1.113 119.067 120.200 -0.032 0.000 2.265 417 E HA -0.086 4.263 4.350 -0.001 0.000 0.196 417 E C 0.174 176.769 176.600 -0.009 0.000 0.996 417 E CA 0.724 57.110 56.400 -0.024 0.000 0.832 417 E CB -0.235 29.448 29.700 -0.029 0.000 0.756 417 E HN 0.463 nan 8.360 nan 0.000 0.491 418 N N 0.051 118.750 118.700 -0.002 0.000 2.410 418 N HA 0.024 4.763 4.740 -0.001 0.000 0.231 418 N C 0.544 176.068 175.510 0.024 0.000 1.172 418 N CA 0.719 53.774 53.050 0.009 0.000 0.849 418 N CB 0.421 38.914 38.487 0.010 0.000 1.116 418 N HN 0.272 nan 8.380 nan 0.000 0.485 419 G N 0.366 109.185 108.800 0.032 0.000 2.205 419 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.269 419 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.269 419 G C 0.326 175.282 174.900 0.092 0.000 0.977 419 G CA 0.580 45.717 45.100 0.062 0.000 0.652 419 G HN 0.368 nan 8.290 nan 0.000 0.539 420 K N -0.588 119.858 120.400 0.078 0.000 2.098 420 K HA 0.483 4.803 4.320 -0.001 0.000 0.257 420 K C 0.156 176.842 176.600 0.143 0.000 0.999 420 K CA -0.960 55.394 56.287 0.111 0.000 0.924 420 K CB 0.910 33.461 32.500 0.085 0.000 1.028 420 K HN 0.057 nan 8.250 nan 0.000 0.466 421 F N 2.278 122.243 119.950 0.026 0.000 2.607 421 F HA -0.034 4.493 4.527 -0.000 0.000 0.374 421 F C 0.376 176.198 175.800 0.036 0.000 1.104 421 F CA 0.612 58.620 58.000 0.012 0.000 1.296 421 F CB 0.385 39.367 39.000 -0.029 0.000 1.085 421 F HN 0.260 nan 8.300 nan 0.000 0.584 422 K N 7.194 127.165 120.400 -0.715 0.000 2.450 422 K HA 0.178 4.497 4.320 -0.001 0.000 0.257 422 K C -1.416 174.767 176.600 -0.695 0.000 0.953 422 K CA -0.745 55.242 56.287 -0.501 0.000 0.844 422 K CB 0.763 33.099 32.500 -0.274 0.000 1.103 422 K HN 0.696 nan 8.250 nan 0.000 0.429 423 Y N 2.299 122.314 120.300 -0.476 0.000 2.314 423 Y HA 0.289 4.838 4.550 -0.001 0.000 0.334 423 Y C -0.470 175.425 175.900 -0.008 0.000 1.266 423 Y CA 0.498 58.506 58.100 -0.153 0.000 1.391 423 Y CB 1.365 39.877 38.460 0.086 0.000 1.306 423 Y HN 0.510 nan 8.280 nan 0.000 0.558 424 S N 3.393 118.658 115.700 -0.726 0.000 2.547 424 S HA 0.166 4.635 4.470 -0.001 0.000 0.281 424 S C 0.076 174.373 174.600 -0.505 0.000 1.118 424 S CA -0.759 57.186 58.200 -0.424 0.000 0.947 424 S CB 1.151 64.290 63.200 -0.101 0.000 1.053 424 S HN 0.944 nan 8.310 nan 0.000 0.482 425 D N 2.434 122.781 120.400 -0.087 0.000 2.309 425 D HA -0.083 4.557 4.640 -0.001 0.000 0.212 425 D C 0.598 176.982 176.300 0.141 0.000 0.968 425 D CA 1.168 55.230 54.000 0.103 0.000 0.882 425 D CB 0.128 41.051 40.800 0.205 0.000 0.918 425 D HN 0.764 nan 8.370 nan 0.000 0.503 426 Y N -0.831 119.432 120.300 -0.062 0.000 2.544 426 Y HA -0.029 4.521 4.550 -0.001 0.000 0.286 426 Y C 0.833 176.934 175.900 0.334 0.000 1.141 426 Y CA -0.425 57.733 58.100 0.095 0.000 1.299 426 Y CB -0.042 38.403 38.460 -0.025 0.000 1.030 426 Y HN -0.130 nan 8.280 nan 0.000 0.543 427 F N 2.923 123.093 119.950 0.367 0.000 2.613 427 F HA 0.125 4.652 4.527 -0.001 0.000 0.341 427 F C 0.408 176.374 175.800 0.276 0.000 1.288 427 F CA -0.193 58.028 58.000 0.369 0.000 1.103 427 F CB -0.126 39.130 39.000 0.426 0.000 1.423 427 F HN -0.186 nan 8.300 nan 0.000 0.651 428 K N 6.606 126.932 120.400 -0.123 0.000 2.896 428 K HA 0.202 4.522 4.320 -0.001 0.000 0.210 428 K C -2.051 174.418 176.600 -0.217 0.000 1.116 428 K CA -0.908 55.324 56.287 -0.092 0.000 1.050 428 K CB 0.488 33.017 32.500 0.049 0.000 0.812 428 K HN 0.343 nan 8.250 nan 0.000 0.462 429 P HA 0.002 nan 4.420 nan 0.000 0.245 429 P C 0.331 177.302 177.300 -0.549 0.000 1.212 429 P CA 0.442 63.236 63.100 -0.509 0.000 0.774 429 P CB -0.045 31.231 31.700 -0.707 0.000 0.999 430 F N -0.921 118.911 119.950 -0.196 0.000 2.654 430 F HA 0.298 4.825 4.527 -0.001 0.000 0.303 430 F C 1.375 177.135 175.800 -0.068 0.000 1.099 430 F CA -0.080 57.856 58.000 -0.108 0.000 1.270 430 F CB -0.059 38.898 39.000 -0.071 0.000 1.024 430 F HN -0.145 nan 8.300 nan 0.000 0.548 431 S N -0.179 115.559 115.700 0.063 0.000 3.569 431 S HA -0.204 4.266 4.470 -0.001 0.000 0.635 431 S C -0.051 174.606 174.600 0.095 0.000 2.396 431 S CA 0.825 59.057 58.200 0.052 0.000 2.612 431 S CB -0.963 62.274 63.200 0.061 0.000 0.331 431 S HN 0.552 nan 8.310 nan 0.000 1.764 432 T N -0.762 113.842 114.554 0.083 0.000 2.718 432 T HA 0.630 4.979 4.350 -0.001 0.000 0.306 432 T C 0.410 175.171 174.700 0.102 0.000 1.485 432 T CA 1.244 63.401 62.100 0.094 0.000 0.997 432 T CB 0.477 69.395 68.868 0.085 0.000 1.504 432 T HN 2.703 nan 8.240 nan 0.000 0.497 433 G N 2.362 111.223 108.800 0.101 0.000 2.512 433 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.254 433 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.254 433 G C 0.655 175.645 174.900 0.150 0.000 1.199 433 G CA 0.640 45.810 45.100 0.116 0.000 0.941 433 G HN 0.797 nan 8.290 nan 0.000 0.569 434 K N 0.816 121.330 120.400 0.191 0.000 2.097 434 K HA 0.023 4.342 4.320 -0.001 0.000 0.205 434 K C 2.201 178.982 176.600 0.302 0.000 1.050 434 K CA 1.437 57.868 56.287 0.240 0.000 0.938 434 K CB -0.165 32.494 32.500 0.265 0.000 0.718 434 K HN 0.518 nan 8.250 nan 0.000 0.442 435 R N 0.758 121.398 120.500 0.234 0.000 2.609 435 R HA 0.123 4.462 4.340 -0.001 0.000 0.326 435 R C 0.204 176.590 176.300 0.144 0.000 1.090 435 R CA -0.225 55.985 56.100 0.185 0.000 1.072 435 R CB 0.437 30.685 30.300 -0.087 0.000 1.330 435 R HN -0.110 nan 8.270 nan 0.000 0.572 436 V N 1.177 121.179 119.914 0.146 0.000 2.953 436 V HA -0.158 3.961 4.120 -0.001 0.000 0.304 436 V C 0.877 177.031 176.094 0.100 0.000 1.138 436 V CA -0.129 62.242 62.300 0.119 0.000 1.266 436 V CB 0.596 32.478 31.823 0.099 0.000 0.923 436 V HN 0.548 nan 8.190 nan 0.000 0.505 437 C N 5.741 125.113 119.300 0.119 0.000 2.502 437 C HA 0.238 4.697 4.460 -0.001 0.000 0.404 437 C C 1.729 176.752 174.990 0.055 0.000 1.409 437 C CA 0.154 59.239 59.018 0.111 0.000 1.648 437 C CB -0.682 27.212 27.740 0.258 0.000 2.571 437 C HN 1.177 nan 8.230 nan 0.000 0.601 438 A N 3.746 126.591 122.820 0.041 0.000 2.238 438 A HA 0.297 4.616 4.320 -0.001 0.000 0.208 438 A C 1.613 179.196 177.584 -0.002 0.000 1.177 438 A CA 1.067 53.115 52.037 0.019 0.000 0.804 438 A CB -0.291 18.723 19.000 0.024 0.000 0.823 438 A HN 1.349 nan 8.150 nan 0.000 0.482 439 G N -1.046 107.755 108.800 0.002 0.000 3.651 439 G HA2 0.206 4.166 3.960 -0.001 0.000 0.267 439 G HA3 0.206 4.166 3.960 -0.001 0.000 0.267 439 G C 0.809 175.672 174.900 -0.062 0.000 1.009 439 G CA 0.702 45.799 45.100 -0.005 0.000 0.866 439 G HN 0.516 nan 8.290 nan 0.000 0.488 440 E N 0.818 120.901 120.200 -0.195 0.000 2.048 440 E HA -0.146 4.203 4.350 -0.001 0.000 0.202 440 E C 2.438 178.796 176.600 -0.403 0.000 1.021 440 E CA 1.995 58.018 56.400 -0.628 0.000 0.825 440 E CB -0.585 28.660 29.700 -0.758 0.000 0.756 440 E HN 0.217 nan 8.360 nan 0.000 0.454 441 G N 1.286 109.958 108.800 -0.213 0.000 2.545 441 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.217 441 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.217 441 G C 1.535 176.400 174.900 -0.059 0.000 1.218 441 G CA 1.161 46.190 45.100 -0.118 0.000 0.787 441 G HN 0.351 nan 8.290 nan 0.000 0.571 442 L N 1.507 122.716 121.223 -0.023 0.000 2.013 442 L HA -0.020 4.320 4.340 -0.001 0.000 0.212 442 L C 3.160 180.065 176.870 0.058 0.000 1.073 442 L CA 2.472 57.329 54.840 0.029 0.000 0.753 442 L CB -0.854 41.230 42.059 0.042 0.000 0.890 442 L HN 0.295 nan 8.230 nan 0.000 0.432 443 A N -0.297 122.561 122.820 0.062 0.000 1.873 443 A HA -0.282 4.038 4.320 -0.001 0.000 0.218 443 A C 2.409 180.090 177.584 0.162 0.000 1.193 443 A CA 2.290 54.418 52.037 0.153 0.000 0.629 443 A CB -0.654 18.538 19.000 0.319 0.000 0.826 443 A HN 0.555 nan 8.150 nan 0.000 0.447 444 R N -1.520 119.038 120.500 0.096 0.000 2.115 444 R HA 0.012 4.352 4.340 -0.001 0.000 0.230 444 R C 2.311 178.669 176.300 0.098 0.000 1.111 444 R CA 1.385 57.546 56.100 0.102 0.000 0.976 444 R CB -0.344 29.960 30.300 0.007 0.000 0.870 444 R HN 0.649 nan 8.270 nan 0.000 0.445 445 M N 0.806 120.451 119.600 0.074 0.000 2.175 445 M HA -0.160 4.320 4.480 -0.001 0.000 0.264 445 M C 1.556 177.954 176.300 0.162 0.000 1.063 445 M CA 1.704 57.067 55.300 0.103 0.000 1.119 445 M CB 0.145 32.788 32.600 0.072 0.000 1.377 445 M HN 0.111 nan 8.290 nan 0.000 0.415 446 E N 0.228 120.515 120.200 0.145 0.000 2.047 446 E HA -0.192 4.157 4.350 -0.001 0.000 0.191 446 E C 1.950 178.648 176.600 0.164 0.000 0.987 446 E CA 1.473 57.965 56.400 0.153 0.000 0.799 446 E CB -0.207 29.575 29.700 0.137 0.000 0.752 446 E HN 0.514 nan 8.360 nan 0.000 0.449 447 L N 0.032 121.356 121.223 0.169 0.000 2.043 447 L HA -0.206 4.134 4.340 -0.001 0.000 0.212 447 L C 2.456 179.437 176.870 0.185 0.000 1.075 447 L CA 1.301 56.240 54.840 0.165 0.000 0.752 447 L CB -0.481 41.677 42.059 0.164 0.000 0.891 447 L HN 0.167 nan 8.230 nan 0.000 0.432 448 F N 0.374 120.361 119.950 0.061 0.000 2.149 448 F HA -0.107 4.419 4.527 -0.002 0.000 0.294 448 F C 2.235 178.074 175.800 0.066 0.000 1.095 448 F CA 1.217 59.248 58.000 0.051 0.000 1.276 448 F CB -0.006 39.010 39.000 0.026 0.000 1.023 448 F HN -0.169 nan 8.300 nan 0.000 0.480 449 L N -0.353 121.017 121.223 0.244 0.000 2.027 449 L HA -0.218 4.122 4.340 -0.001 0.000 0.206 449 L C 2.375 179.271 176.870 0.042 0.000 1.074 449 L CA 0.673 55.586 54.840 0.121 0.000 0.745 449 L CB -0.826 41.356 42.059 0.204 0.000 0.898 449 L HN 0.213 nan 8.230 nan 0.000 0.433 450 L N -0.521 120.755 121.223 0.088 0.000 2.017 450 L HA -0.203 4.137 4.340 -0.001 0.000 0.208 450 L C 2.326 179.231 176.870 0.058 0.000 1.073 450 L CA 1.561 56.456 54.840 0.093 0.000 0.745 450 L CB -0.892 41.239 42.059 0.120 0.000 0.894 450 L HN 0.183 nan 8.230 nan 0.000 0.432 451 L N -1.754 119.482 121.223 0.021 0.000 2.291 451 L HA -0.152 4.187 4.340 -0.001 0.000 0.214 451 L C 2.384 179.218 176.870 -0.060 0.000 1.120 451 L CA 1.336 56.178 54.840 0.003 0.000 0.799 451 L CB -0.591 41.475 42.059 0.012 0.000 0.925 451 L HN 0.257 nan 8.230 nan 0.000 0.446 452 C N -0.688 118.506 119.300 -0.177 0.000 2.462 452 C HA -0.053 4.407 4.460 -0.001 0.000 0.278 452 C C 2.945 177.929 174.990 -0.009 0.000 1.253 452 C CA 0.652 59.545 59.018 -0.208 0.000 1.713 452 C CB -1.275 26.209 27.740 -0.427 0.000 2.049 452 C HN 0.740 nan 8.230 nan 0.000 0.477 453 A N 0.785 123.639 122.820 0.056 0.000 1.842 453 A HA -0.213 4.107 4.320 -0.001 0.000 0.217 453 A C 1.930 179.685 177.584 0.284 0.000 1.206 453 A CA 2.205 54.351 52.037 0.181 0.000 0.630 453 A CB -0.964 18.121 19.000 0.142 0.000 0.839 453 A HN 0.548 nan 8.150 nan 0.000 0.447 454 I N -0.361 120.346 120.570 0.230 0.000 2.103 454 I HA -0.369 3.800 4.170 -0.001 0.000 0.241 454 I C 2.468 178.807 176.117 0.371 0.000 1.036 454 I CA 1.989 63.466 61.300 0.296 0.000 1.300 454 I CB -0.404 37.702 38.000 0.177 0.000 1.010 454 I HN 0.349 nan 8.210 nan 0.000 0.406 455 L N -0.456 120.902 121.223 0.224 0.000 2.156 455 L HA -0.197 4.142 4.340 -0.001 0.000 0.208 455 L C 2.604 179.631 176.870 0.262 0.000 1.095 455 L CA 0.940 55.912 54.840 0.220 0.000 0.770 455 L CB -0.599 41.460 42.059 0.001 0.000 0.914 455 L HN 0.386 nan 8.230 nan 0.000 0.439 456 Q N -0.231 119.661 119.800 0.154 0.000 2.217 456 Q HA -0.242 4.097 4.340 -0.001 0.000 0.209 456 Q C 1.493 177.345 176.000 -0.246 0.000 0.988 456 Q CA 1.590 57.376 55.803 -0.029 0.000 0.878 456 Q CB 0.107 28.811 28.738 -0.056 0.000 0.909 456 Q HN 0.631 nan 8.270 nan 0.000 0.424 457 H N -2.933 116.161 119.070 0.039 0.000 2.986 457 H HA 0.215 4.770 4.556 -0.001 0.000 0.267 457 H C -0.598 174.376 175.328 -0.589 0.000 1.072 457 H CA 0.011 55.892 56.048 -0.278 0.000 1.202 457 H CB 0.746 30.289 29.762 -0.366 0.000 1.535 457 H HN 0.041 nan 8.280 nan 0.000 0.522 458 F N 0.731 120.777 119.950 0.160 0.000 2.608 458 F HA 0.248 4.774 4.527 -0.001 0.000 0.309 458 F C -0.288 175.615 175.800 0.172 0.000 1.103 458 F CA -1.036 57.042 58.000 0.131 0.000 0.954 458 F CB 1.703 40.795 39.000 0.153 0.000 1.267 458 F HN -0.214 nan 8.300 nan 0.000 0.444 459 N N 1.959 120.837 118.700 0.297 0.000 2.455 459 N HA 0.569 5.309 4.740 -0.001 0.000 0.280 459 N C -1.174 174.504 175.510 0.280 0.000 1.055 459 N CA -0.466 52.747 53.050 0.272 0.000 0.961 459 N CB 1.015 39.566 38.487 0.108 0.000 1.121 459 N HN 0.390 nan 8.380 nan 0.000 0.476 460 L N 2.080 123.455 121.223 0.255 0.000 2.397 460 L HA 0.401 4.740 4.340 -0.001 0.000 0.271 460 L C 0.085 177.033 176.870 0.129 0.000 1.148 460 L CA -0.285 54.658 54.840 0.172 0.000 0.825 460 L CB 0.341 42.474 42.059 0.122 0.000 1.117 460 L HN 0.584 nan 8.230 nan 0.000 0.456 461 K N 3.493 123.958 120.400 0.107 0.000 2.550 461 K HA 0.631 4.950 4.320 -0.001 0.000 0.252 461 K C -3.143 173.488 176.600 0.052 0.000 0.943 461 K CA -1.225 55.107 56.287 0.075 0.000 0.806 461 K CB 2.570 35.122 32.500 0.087 0.000 1.289 461 K HN 0.112 nan 8.250 nan 0.000 0.435 462 P HA 0.389 nan 4.420 nan 0.000 0.289 462 P C -0.621 176.680 177.300 0.002 0.000 1.302 462 P CA -0.916 62.182 63.100 -0.004 0.000 0.923 462 P CB 1.479 33.151 31.700 -0.048 0.000 1.238 463 L N 0.883 122.106 121.223 0.001 0.000 3.094 463 L HA 0.397 4.737 4.340 -0.001 0.000 0.254 463 L C 0.214 177.082 176.870 -0.004 0.000 1.298 463 L CA -0.349 54.496 54.840 0.007 0.000 1.050 463 L CB 0.156 42.224 42.059 0.016 0.000 1.420 463 L HN 0.188 nan 8.230 nan 0.000 0.548 464 V N -5.753 114.150 119.914 -0.018 0.000 3.278 464 V HA 0.418 4.537 4.120 -0.001 0.000 0.288 464 V C -1.207 174.864 176.094 -0.038 0.000 1.514 464 V CA -1.229 61.056 62.300 -0.026 0.000 1.051 464 V CB 1.651 33.453 31.823 -0.034 0.000 1.163 464 V HN -0.045 nan 8.190 nan 0.000 0.458 465 D N 3.621 124.000 120.400 -0.036 0.000 2.443 465 D HA 0.326 4.966 4.640 -0.001 0.000 0.239 465 D C -1.469 174.785 176.300 -0.076 0.000 1.136 465 D CA -0.482 53.491 54.000 -0.045 0.000 0.879 465 D CB 1.236 42.016 40.800 -0.034 0.000 1.195 465 D HN 0.514 nan 8.370 nan 0.000 0.443 466 P HA -0.283 nan 4.420 nan 0.000 0.220 466 P C 1.033 178.235 177.300 -0.162 0.000 1.155 466 P CA 1.476 64.481 63.100 -0.158 0.000 0.880 466 P CB 0.233 31.848 31.700 -0.142 0.000 0.790 467 K N -0.862 119.478 120.400 -0.099 0.000 2.103 467 K HA -0.168 4.151 4.320 -0.001 0.000 0.207 467 K C 1.238 177.797 176.600 -0.068 0.000 1.048 467 K CA 1.684 57.928 56.287 -0.072 0.000 0.930 467 K CB -0.337 32.142 32.500 -0.036 0.000 0.716 467 K HN 0.133 nan 8.250 nan 0.000 0.444 468 D N -0.103 120.256 120.400 -0.068 0.000 2.350 468 D HA 0.094 4.733 4.640 -0.001 0.000 0.213 468 D C 0.145 176.405 176.300 -0.067 0.000 1.031 468 D CA 0.190 54.157 54.000 -0.054 0.000 0.861 468 D CB 0.210 40.986 40.800 -0.041 0.000 0.926 468 D HN 0.088 nan 8.370 nan 0.000 0.520 469 I N 1.447 121.953 120.570 -0.106 0.000 2.598 469 I HA -0.040 4.129 4.170 -0.001 0.000 0.284 469 I C 0.387 176.457 176.117 -0.079 0.000 1.140 469 I CA 0.144 61.370 61.300 -0.123 0.000 1.420 469 I CB 0.473 38.354 38.000 -0.199 0.000 1.387 469 I HN -0.209 nan 8.210 nan 0.000 0.553 470 D N 6.758 127.132 120.400 -0.044 0.000 2.373 470 D HA 0.175 4.814 4.640 -0.001 0.000 0.227 470 D C 0.406 176.729 176.300 0.038 0.000 1.091 470 D CA -0.417 53.588 54.000 0.008 0.000 0.840 470 D CB 1.501 42.306 40.800 0.008 0.000 1.060 470 D HN 0.234 nan 8.370 nan 0.000 0.502 471 L N 2.210 123.504 121.223 0.118 0.000 2.418 471 L HA 0.118 4.458 4.340 -0.001 0.000 0.218 471 L C 0.821 177.890 176.870 0.331 0.000 1.125 471 L CA 0.598 55.596 54.840 0.262 0.000 0.835 471 L CB -0.837 41.448 42.059 0.377 0.000 0.953 471 L HN 0.280 nan 8.230 nan 0.000 0.454 472 S N 1.463 117.282 115.700 0.197 0.000 2.558 472 S HA 0.071 4.540 4.470 -0.001 0.000 0.291 472 S C -2.122 172.562 174.600 0.139 0.000 1.306 472 S CA -0.751 57.533 58.200 0.140 0.000 1.056 472 S CB -0.001 63.240 63.200 0.069 0.000 0.836 472 S HN 0.135 nan 8.310 nan 0.000 0.504 473 P HA 0.171 nan 4.420 nan 0.000 0.274 473 P C 0.686 177.962 177.300 -0.041 0.000 1.231 473 P CA -0.335 62.822 63.100 0.095 0.000 0.790 473 P CB 0.395 32.163 31.700 0.113 0.000 0.951 474 I N -2.009 118.473 120.570 -0.146 0.000 3.603 474 I HA 0.214 4.383 4.170 -0.001 0.000 0.297 474 I C 0.311 176.026 176.117 -0.671 0.000 1.269 474 I CA 0.466 61.557 61.300 -0.348 0.000 1.361 474 I CB -0.332 37.431 38.000 -0.395 0.000 1.063 474 I HN 0.201 nan 8.210 nan 0.000 0.448 475 H N 1.707 120.725 119.070 -0.086 0.000 2.961 475 H HA 0.637 5.193 4.556 -0.001 0.000 0.371 475 H C -1.059 174.208 175.328 -0.102 0.000 1.190 475 H CA -0.914 55.060 56.048 -0.122 0.000 1.138 475 H CB 2.833 32.455 29.762 -0.234 0.000 1.816 475 H HN 0.006 nan 8.280 nan 0.000 0.551 476 I N 1.421 122.014 120.570 0.038 0.000 2.529 476 I HA 0.456 4.625 4.170 -0.001 0.000 0.284 476 I C 0.273 176.362 176.117 -0.046 0.000 1.088 476 I CA -0.271 61.013 61.300 -0.027 0.000 1.062 476 I CB 1.833 39.805 38.000 -0.047 0.000 1.218 476 I HN 0.771 nan 8.210 nan 0.000 0.442 477 G N 3.562 112.329 108.800 -0.056 0.000 3.453 477 G HA2 0.131 4.090 3.960 -0.001 0.000 0.165 477 G HA3 0.131 4.090 3.960 -0.001 0.000 0.165 477 G C 0.291 175.194 174.900 0.005 0.000 1.220 477 G CA -0.158 44.924 45.100 -0.030 0.000 1.305 477 G HN 0.342 nan 8.290 nan 0.000 0.695 478 F N 2.119 121.997 119.950 -0.119 0.000 2.039 478 F HA 0.016 4.542 4.527 -0.001 0.000 0.296 478 F C 1.659 177.331 175.800 -0.214 0.000 1.119 478 F CA 2.672 60.601 58.000 -0.118 0.000 1.211 478 F CB -0.368 38.563 39.000 -0.114 0.000 0.956 478 F HN 0.480 nan 8.300 nan 0.000 0.496 479 G N -2.299 106.378 108.800 -0.205 0.000 2.735 479 G HA2 0.441 4.401 3.960 -0.001 0.000 0.301 479 G HA3 0.441 4.401 3.960 -0.001 0.000 0.301 479 G C -1.806 173.007 174.900 -0.145 0.000 1.279 479 G CA -0.431 44.472 45.100 -0.328 0.000 1.019 479 G HN 0.262 nan 8.290 nan 0.000 0.497 480 C N 1.101 120.397 119.300 -0.008 0.000 2.255 480 C HA 0.506 4.965 4.460 -0.001 0.000 0.326 480 C C -0.172 174.933 174.990 0.192 0.000 1.258 480 C CA -0.779 58.281 59.018 0.069 0.000 1.676 480 C CB -0.790 26.995 27.740 0.075 0.000 2.314 480 C HN 0.365 nan 8.230 nan 0.000 0.509 481 I N 6.991 127.629 120.570 0.114 0.000 2.321 481 I HA 0.343 4.513 4.170 -0.001 0.000 0.291 481 I C -1.790 174.329 176.117 0.004 0.000 0.998 481 I CA -2.881 58.484 61.300 0.109 0.000 1.227 481 I CB 1.080 39.124 38.000 0.074 0.000 1.368 481 I HN 0.355 nan 8.210 nan 0.000 0.466 482 P HA 0.289 nan 4.420 nan 0.000 0.274 482 P C -2.712 174.470 177.300 -0.197 0.000 1.237 482 P CA -1.684 61.134 63.100 -0.470 0.000 0.793 482 P CB -0.228 30.910 31.700 -0.937 0.000 0.977 483 P HA 0.164 nan 4.420 nan 0.000 0.268 483 P C 0.036 177.350 177.300 0.023 0.000 1.204 483 P CA 0.162 63.230 63.100 -0.054 0.000 0.768 483 P CB 0.244 31.921 31.700 -0.038 0.000 0.842 484 R N 2.526 123.027 120.500 0.002 0.000 2.583 484 R HA 0.184 4.523 4.340 -0.001 0.000 0.274 484 R C 0.117 176.456 176.300 0.065 0.000 0.998 484 R CA 0.980 57.062 56.100 -0.030 0.000 1.081 484 R CB -0.342 29.932 30.300 -0.043 0.000 0.940 484 R HN 0.599 nan 8.270 nan 0.000 0.413 485 Y N -1.597 118.622 120.300 -0.135 0.000 2.670 485 Y HA 0.572 5.122 4.550 -0.001 0.000 0.334 485 Y C -1.286 174.516 175.900 -0.163 0.000 1.185 485 Y CA -1.532 56.487 58.100 -0.134 0.000 1.053 485 Y CB 1.427 39.803 38.460 -0.140 0.000 1.298 485 Y HN 0.259 nan 8.280 nan 0.000 0.459 486 K N 2.029 122.413 120.400 -0.026 0.000 2.281 486 K HA 0.733 5.052 4.320 -0.001 0.000 0.242 486 K C -1.434 175.146 176.600 -0.033 0.000 0.971 486 K CA -1.006 55.180 56.287 -0.168 0.000 0.834 486 K CB 2.250 34.675 32.500 -0.125 0.000 1.181 486 K HN 0.647 nan 8.250 nan 0.000 0.435 487 L N -2.223 118.847 121.223 -0.256 0.000 2.389 487 L HA 0.692 5.032 4.340 -0.001 0.000 0.249 487 L C -1.101 175.711 176.870 -0.095 0.000 1.083 487 L CA -1.072 53.688 54.840 -0.134 0.000 0.876 487 L CB 0.287 42.311 42.059 -0.058 0.000 1.489 487 L HN 0.671 nan 8.230 nan 0.000 0.412 488 C N 0.586 119.947 119.300 0.101 0.000 2.493 488 C HA 0.856 5.315 4.460 -0.001 0.000 0.326 488 C C 0.148 175.315 174.990 0.295 0.000 1.200 488 C CA -0.636 58.548 59.018 0.277 0.000 1.739 488 C CB 1.448 29.300 27.740 0.187 0.000 2.300 488 C HN 0.714 nan 8.230 nan 0.000 0.500 489 V N 1.879 122.004 119.914 0.353 0.000 2.409 489 V HA 0.651 4.770 4.120 -0.001 0.000 0.291 489 V C -0.707 175.603 176.094 0.359 0.000 1.020 489 V CA -0.342 62.115 62.300 0.261 0.000 0.848 489 V CB 1.108 32.899 31.823 -0.054 0.000 0.990 489 V HN 0.649 nan 8.190 nan 0.000 0.430 490 I N 6.239 127.038 120.570 0.381 0.000 2.339 490 I HA 0.526 4.695 4.170 -0.001 0.000 0.290 490 I C -2.395 173.837 176.117 0.193 0.000 0.994 490 I CA -2.565 58.892 61.300 0.261 0.000 1.191 490 I CB 1.564 39.660 38.000 0.159 0.000 1.343 490 I HN 0.458 nan 8.210 nan 0.000 0.458 491 P HA 0.285 nan 4.420 nan 0.000 0.271 491 P C 0.225 177.262 177.300 -0.439 0.000 1.218 491 P CA -0.198 62.658 63.100 -0.406 0.000 0.780 491 P CB 0.713 32.156 31.700 -0.428 0.000 0.901 492 R N 0.755 120.969 120.500 -0.477 0.000 2.397 492 R HA 0.137 4.477 4.340 -0.001 0.000 0.241 492 R C 1.005 177.139 176.300 -0.277 0.000 0.914 492 R CA 0.395 56.307 56.100 -0.313 0.000 1.071 492 R CB 0.149 30.302 30.300 -0.245 0.000 1.116 492 R HN 0.533 nan 8.270 nan 0.000 0.524 493 S N -1.374 114.076 115.700 -0.418 0.000 3.056 493 S HA 0.188 4.657 4.470 -0.001 0.000 0.255 493 S C -0.333 174.264 174.600 -0.005 0.000 1.079 493 S CA -0.380 57.735 58.200 -0.141 0.000 0.810 493 S CB 0.270 63.412 63.200 -0.097 0.000 0.810 493 S HN 0.343 nan 8.310 nan 0.000 0.477 494 H N 0.000 119.036 119.070 -0.057 0.000 2.539 494 H HA 0.000 4.555 4.556 -0.001 0.000 0.296 494 H CA 0.000 56.029 56.048 -0.031 0.000 1.023 494 H CB 0.000 29.748 29.762 -0.024 0.000 1.292 494 H HN 0.000 nan 8.280 nan 0.000 0.496