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 1a12_1_C DATA FIRST_RESID 21 DATA SEQUENCE KKVKVSHRSH STEPGLVLTL GQGDVGQLGL GENVMERKKP ALVSIPEDVV DATA SEQUENCE QAEAGGMHTV CLSKSGQVYS FGCNDEGALG RDTSVEGSEM VPGKVELQEK DATA SEQUENCE VVQVSAGDSH TAALTDDGRV FLWGSFRDNN GVIGLLEPMK KSMVPVQVQL DATA SEQUENCE DVPVVKVASG NDHLVMLTAD GDLYTLGCGE QGQLGRVPEL FANRGGRQGL DATA SEQUENCE ERLLVPKCVM LKSRGSRGHV RFQDAFCGAY FTFAISHEGH VYGFGLSNYH DATA SEQUENCE QLGTPGTESC FIPQNLTSFK NSTKSWVGFS GGQHHTVCMD SEGKAYSLGR DATA SEQUENCE AEYGRLGLGE GAEEKSIPTL ISRLPAVSSV ACGASVGYAV TKDGRVFAWG DATA SEQUENCE MGTNYQLGTG QDEDAWSPVE MMGKQLENRV VLSVSSGGQH TVLLVKDKEQ DATA SEQUENCE S 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 21 K HA 0.000 nan 4.320 nan 0.000 0.191 21 K C 0.000 176.611 176.600 0.018 0.000 0.988 21 K CA 0.000 56.296 56.287 0.015 0.000 0.838 21 K CB 0.000 32.509 32.500 0.015 0.000 1.064 22 K N 1.385 121.798 120.400 0.021 0.000 2.548 22 K HA -0.031 4.295 4.320 0.010 0.000 0.277 22 K C -0.225 176.391 176.600 0.027 0.000 1.001 22 K CA 0.222 56.524 56.287 0.025 0.000 1.102 22 K CB 0.077 32.595 32.500 0.031 0.000 0.848 22 K HN 0.194 nan 8.250 nan 0.000 0.487 23 V N 4.961 124.892 119.914 0.028 0.000 2.465 23 V HA 0.086 4.212 4.120 0.010 0.000 0.279 23 V C 0.328 176.446 176.094 0.040 0.000 1.045 23 V CA -0.701 61.617 62.300 0.031 0.000 0.938 23 V CB 1.186 33.026 31.823 0.028 0.000 0.986 23 V HN 0.594 nan 8.190 nan 0.000 0.467 24 K N 3.662 124.088 120.400 0.044 0.000 2.202 24 K HA 0.503 4.829 4.320 0.010 0.000 0.264 24 K C -0.129 176.510 176.600 0.065 0.000 1.010 24 K CA -0.231 56.090 56.287 0.057 0.000 0.940 24 K CB 1.697 34.231 32.500 0.056 0.000 0.983 24 K HN 0.591 nan 8.250 nan 0.000 0.475 25 V N -2.425 117.541 119.914 0.088 0.000 3.096 25 V HA 0.811 4.937 4.120 0.010 0.000 0.319 25 V C 0.095 176.272 176.094 0.138 0.000 1.103 25 V CA -0.654 61.706 62.300 0.101 0.000 1.016 25 V CB 1.894 33.781 31.823 0.107 0.000 1.090 25 V HN 0.752 nan 8.190 nan 0.000 0.449 26 S N -0.484 115.276 115.700 0.100 0.000 2.705 26 S HA 0.666 5.142 4.470 0.010 0.000 0.280 26 S C -1.431 173.079 174.600 -0.151 0.000 1.174 26 S CA -0.455 57.772 58.200 0.044 0.000 0.823 26 S CB 1.624 64.852 63.200 0.047 0.000 1.162 26 S HN 1.331 nan 8.310 nan 0.000 0.487 27 H N 0.267 118.959 119.070 -0.630 0.000 3.068 27 H HA 0.330 4.892 4.556 0.010 0.000 0.342 27 H C 0.463 175.584 175.328 -0.346 0.000 1.284 27 H CA -0.330 55.401 56.048 -0.529 0.000 1.181 27 H CB 1.345 30.709 29.762 -0.664 0.000 1.898 27 H HN 0.804 nan 8.280 nan 0.000 0.540 28 R N 0.475 120.603 120.500 -0.620 0.000 2.237 28 R HA -0.056 4.290 4.340 0.010 0.000 0.219 28 R C 1.161 177.405 176.300 -0.093 0.000 1.080 28 R CA 1.618 57.543 56.100 -0.293 0.000 0.995 28 R CB -0.107 30.028 30.300 -0.275 0.000 0.875 28 R HN 0.330 nan 8.270 nan 0.000 0.462 29 S N -0.108 115.617 115.700 0.042 0.000 2.527 29 S HA -0.042 4.434 4.470 0.010 0.000 0.222 29 S C 0.426 175.204 174.600 0.297 0.000 0.985 29 S CA -0.413 57.930 58.200 0.238 0.000 0.921 29 S CB -0.524 62.896 63.200 0.367 0.000 0.772 29 S HN 0.447 nan 8.310 nan 0.000 0.529 30 H N 1.846 121.000 119.070 0.140 0.000 2.848 30 H HA 0.308 4.869 4.556 0.008 0.000 0.341 30 H C -0.116 175.254 175.328 0.070 0.000 1.060 30 H CA -0.272 55.834 56.048 0.096 0.000 1.444 30 H CB 0.585 30.404 29.762 0.095 0.000 1.446 30 H HN 0.224 nan 8.280 nan 0.000 0.583 31 S N 1.222 117.022 115.700 0.166 0.000 2.541 31 S HA 0.140 4.615 4.470 0.010 0.000 0.283 31 S C 0.976 175.628 174.600 0.086 0.000 1.196 31 S CA -0.644 57.619 58.200 0.105 0.000 1.062 31 S CB 1.473 64.716 63.200 0.073 0.000 1.009 31 S HN 0.882 nan 8.310 nan 0.000 0.502 32 T N -2.145 112.452 114.554 0.071 0.000 3.130 32 T HA 0.231 4.587 4.350 0.010 0.000 0.288 32 T C -0.192 174.536 174.700 0.046 0.000 0.936 32 T CA -0.393 61.743 62.100 0.060 0.000 0.897 32 T CB -0.062 68.844 68.868 0.064 0.000 1.178 32 T HN 0.471 nan 8.240 nan 0.000 0.543 33 E N 4.249 124.475 120.200 0.042 0.000 2.130 33 E HA 0.406 4.762 4.350 0.010 0.000 0.284 33 E C -2.575 174.042 176.600 0.028 0.000 1.018 33 E CA -2.400 54.020 56.400 0.033 0.000 0.817 33 E CB 1.070 30.789 29.700 0.032 0.000 1.078 33 E HN 0.188 nan 8.360 nan 0.000 0.396 34 P HA 0.286 nan 4.420 nan 0.000 0.275 34 P C -0.354 176.954 177.300 0.013 0.000 1.227 34 P CA -0.186 62.926 63.100 0.019 0.000 0.781 34 P CB 1.623 33.333 31.700 0.017 0.000 0.906 35 G N 1.745 110.551 108.800 0.009 0.000 2.706 35 G HA2 0.571 4.537 3.960 0.010 0.000 0.307 35 G HA3 0.571 4.537 3.960 0.010 0.000 0.307 35 G C -1.635 173.262 174.900 -0.005 0.000 1.307 35 G CA -0.845 44.257 45.100 0.003 0.000 0.790 35 G HN 0.411 nan 8.290 nan 0.000 0.503 36 L N -0.007 121.211 121.223 -0.008 0.000 2.334 36 L HA 0.681 5.027 4.340 0.010 0.000 0.272 36 L C -0.281 176.584 176.870 -0.008 0.000 1.020 36 L CA -1.179 53.652 54.840 -0.016 0.000 0.812 36 L CB 2.019 44.066 42.059 -0.020 0.000 1.264 36 L HN 0.195 nan 8.230 nan 0.000 0.439 37 V N 3.502 123.412 119.914 -0.006 0.000 2.427 37 V HA 0.468 4.594 4.120 0.010 0.000 0.286 37 V C 0.017 176.115 176.094 0.007 0.000 1.034 37 V CA -0.396 61.914 62.300 0.017 0.000 0.893 37 V CB 1.627 33.489 31.823 0.065 0.000 0.982 37 V HN 0.468 nan 8.190 nan 0.000 0.452 38 L N 4.519 125.748 121.223 0.009 0.000 2.354 38 L HA 0.848 5.194 4.340 0.010 0.000 0.269 38 L C 0.045 176.928 176.870 0.022 0.000 1.005 38 L CA -0.461 54.381 54.840 0.002 0.000 0.819 38 L CB 2.499 44.551 42.059 -0.011 0.000 1.311 38 L HN 0.767 nan 8.230 nan 0.000 0.423 39 T N 0.226 114.800 114.554 0.032 0.000 2.906 39 T HA 0.882 5.238 4.350 0.010 0.000 0.295 39 T C -0.713 174.015 174.700 0.047 0.000 1.075 39 T CA -0.810 61.330 62.100 0.067 0.000 1.005 39 T CB 2.250 71.207 68.868 0.147 0.000 1.136 39 T HN 0.672 nan 8.240 nan 0.000 0.498 40 L N -1.902 119.361 121.223 0.067 0.000 2.671 40 L HA 0.884 5.230 4.340 0.010 0.000 0.259 40 L C 0.132 177.067 176.870 0.110 0.000 1.021 40 L CA -0.562 54.317 54.840 0.066 0.000 0.871 40 L CB 1.298 43.387 42.059 0.051 0.000 1.472 40 L HN 1.451 nan 8.230 nan 0.000 0.410 41 G N 0.500 109.371 108.800 0.117 0.000 2.418 41 G HA2 -0.023 3.943 3.960 0.010 0.000 0.206 41 G HA3 -0.023 3.943 3.960 0.010 0.000 0.206 41 G C -1.314 173.662 174.900 0.128 0.000 1.202 41 G CA -0.389 44.807 45.100 0.160 0.000 1.061 41 G HN 0.805 nan 8.290 nan 0.000 0.563 42 Q N 0.681 120.564 119.800 0.138 0.000 2.259 42 Q HA 0.566 4.912 4.340 0.010 0.000 0.246 42 Q C 0.765 176.795 176.000 0.050 0.000 0.920 42 Q CA 0.374 56.230 55.803 0.088 0.000 0.895 42 Q CB 1.306 30.097 28.738 0.089 0.000 1.220 42 Q HN 1.620 nan 8.270 nan 0.000 0.439 43 G N 1.158 109.971 108.800 0.021 0.000 4.658 43 G HA2 0.047 4.013 3.960 0.010 0.000 0.279 43 G HA3 0.047 4.013 3.960 0.010 0.000 0.279 43 G C 0.247 175.146 174.900 -0.001 0.000 0.997 43 G CA -0.309 44.791 45.100 0.000 0.000 0.765 43 G HN 0.477 nan 8.290 nan 0.000 0.442 44 D N 0.685 121.087 120.400 0.004 0.000 2.123 44 D HA -0.135 4.511 4.640 0.010 0.000 0.196 44 D C 2.379 178.682 176.300 0.006 0.000 0.992 44 D CA 1.972 55.976 54.000 0.007 0.000 0.833 44 D CB 0.285 41.094 40.800 0.014 0.000 0.954 44 D HN 0.441 nan 8.370 nan 0.000 0.455 45 V N -3.457 116.458 119.914 0.002 0.000 3.271 45 V HA 0.580 4.705 4.120 0.010 0.000 0.327 45 V C 1.144 177.249 176.094 0.019 0.000 1.389 45 V CA 0.295 62.600 62.300 0.008 0.000 1.156 45 V CB 0.200 32.027 31.823 0.008 0.000 1.103 45 V HN 0.240 nan 8.190 nan 0.000 0.453 46 G N 1.454 110.267 108.800 0.022 0.000 2.157 46 G HA2 -0.304 3.662 3.960 0.010 0.000 0.239 46 G HA3 -0.304 3.662 3.960 0.010 0.000 0.239 46 G C 0.902 175.877 174.900 0.125 0.000 0.982 46 G CA 0.489 45.625 45.100 0.061 0.000 0.650 46 G HN 0.776 nan 8.290 nan 0.000 0.527 47 Q N 0.325 120.134 119.800 0.016 0.000 2.364 47 Q HA 0.107 4.453 4.340 0.010 0.000 0.207 47 Q C 2.349 178.428 176.000 0.132 0.000 0.970 47 Q CA 1.356 57.112 55.803 -0.077 0.000 0.888 47 Q CB -0.253 28.098 28.738 -0.645 0.000 0.951 47 Q HN 0.619 nan 8.270 nan 0.000 0.469 48 L N 0.100 121.399 121.223 0.127 0.000 2.341 48 L HA 0.154 4.499 4.340 0.010 0.000 0.214 48 L C 1.310 178.177 176.870 -0.005 0.000 1.115 48 L CA 0.566 55.490 54.840 0.140 0.000 0.820 48 L CB -0.446 41.639 42.059 0.044 0.000 0.944 48 L HN 0.449 nan 8.230 nan 0.000 0.452 49 G N 0.782 109.499 108.800 -0.139 0.000 2.198 49 G HA2 -0.282 3.684 3.960 0.010 0.000 0.260 49 G HA3 -0.282 3.684 3.960 0.010 0.000 0.260 49 G C 0.496 175.134 174.900 -0.437 0.000 1.025 49 G CA 0.284 44.963 45.100 -0.702 0.000 0.769 49 G HN 0.362 nan 8.290 nan 0.000 0.507 50 L N -0.269 120.827 121.223 -0.211 0.000 2.857 50 L HA 0.547 4.893 4.340 0.010 0.000 0.249 50 L C 1.380 178.189 176.870 -0.102 0.000 1.172 50 L CA 0.234 54.984 54.840 -0.149 0.000 0.980 50 L CB 0.019 42.017 42.059 -0.101 0.000 1.299 50 L HN 1.062 nan 8.230 nan 0.000 0.535 51 G N 0.408 109.152 108.800 -0.093 0.000 2.525 51 G HA2 -0.173 3.793 3.960 0.010 0.000 0.685 51 G HA3 -0.173 3.793 3.960 0.010 0.000 0.685 51 G C 0.044 174.921 174.900 -0.038 0.000 1.290 51 G CA -0.473 44.591 45.100 -0.060 0.000 0.915 51 G HN 0.218 nan 8.290 nan 0.000 0.548 52 E N 0.079 120.262 120.200 -0.027 0.000 2.274 52 E HA -0.052 4.304 4.350 0.010 0.000 0.194 52 E C 1.803 178.393 176.600 -0.018 0.000 0.996 52 E CA 0.974 57.363 56.400 -0.017 0.000 0.840 52 E CB 0.013 29.706 29.700 -0.013 0.000 0.772 52 E HN 0.384 nan 8.360 nan 0.000 0.491 53 N N 0.268 118.954 118.700 -0.024 0.000 2.373 53 N HA 0.001 4.747 4.740 0.010 0.000 0.181 53 N C -0.209 175.285 175.510 -0.027 0.000 1.082 53 N CA 0.315 53.352 53.050 -0.023 0.000 0.885 53 N CB 0.970 39.443 38.487 -0.024 0.000 0.977 53 N HN -0.065 nan 8.380 nan 0.000 0.462 54 V N 2.676 122.571 119.914 -0.031 0.000 2.288 54 V HA 0.225 4.351 4.120 0.010 0.000 0.266 54 V C 0.959 177.037 176.094 -0.027 0.000 1.048 54 V CA -0.059 62.220 62.300 -0.034 0.000 0.842 54 V CB 1.133 32.930 31.823 -0.043 0.000 1.064 54 V HN 0.076 nan 8.190 nan 0.000 0.472 55 M N 2.254 121.839 119.600 -0.025 0.000 2.465 55 M HA 0.336 4.822 4.480 0.010 0.000 0.249 55 M C 0.572 176.863 176.300 -0.015 0.000 1.130 55 M CA 0.609 55.900 55.300 -0.015 0.000 1.067 55 M CB 0.106 32.699 32.600 -0.011 0.000 1.394 55 M HN 0.726 nan 8.290 nan 0.000 0.483 56 E N 0.384 120.564 120.200 -0.034 0.000 2.378 56 E HA 0.368 4.724 4.350 0.010 0.000 0.283 56 E C -1.218 175.336 176.600 -0.077 0.000 0.979 56 E CA -0.511 55.859 56.400 -0.051 0.000 0.795 56 E CB 2.278 31.924 29.700 -0.089 0.000 1.221 56 E HN -0.086 nan 8.360 nan 0.000 0.428 57 R N 3.150 123.611 120.500 -0.064 0.000 2.514 57 R HA 0.303 4.649 4.340 0.010 0.000 0.296 57 R C 0.022 176.280 176.300 -0.070 0.000 1.012 57 R CA -0.483 55.577 56.100 -0.068 0.000 0.897 57 R CB 1.513 31.798 30.300 -0.026 0.000 1.184 57 R HN 0.607 nan 8.270 nan 0.000 0.440 58 K N 1.010 121.337 120.400 -0.122 0.000 2.314 58 K HA 0.111 4.437 4.320 0.010 0.000 0.198 58 K C 0.320 176.939 176.600 0.031 0.000 1.045 58 K CA 0.686 56.928 56.287 -0.075 0.000 0.988 58 K CB 0.457 32.856 32.500 -0.168 0.000 0.783 58 K HN 0.090 nan 8.250 nan 0.000 0.484 59 K N 0.674 121.076 120.400 0.003 0.000 2.395 59 K HA 0.378 4.704 4.320 0.010 0.000 0.247 59 K C -2.848 173.755 176.600 0.005 0.000 0.973 59 K CA -2.695 53.599 56.287 0.013 0.000 0.828 59 K CB 1.353 33.854 32.500 0.002 0.000 1.272 59 K HN -0.309 nan 8.250 nan 0.000 0.439 60 P HA -0.005 nan 4.420 nan 0.000 0.263 60 P C -1.220 176.073 177.300 -0.010 0.000 1.175 60 P CA 0.363 63.462 63.100 -0.002 0.000 0.761 60 P CB 0.483 32.178 31.700 -0.008 0.000 0.794 61 A N 3.369 126.182 122.820 -0.012 0.000 2.414 61 A HA 0.545 4.871 4.320 0.010 0.000 0.306 61 A C -1.005 176.560 177.584 -0.031 0.000 1.054 61 A CA -0.784 51.238 52.037 -0.024 0.000 0.724 61 A CB 0.804 19.786 19.000 -0.031 0.000 1.267 61 A HN 0.519 nan 8.150 nan 0.000 0.418 62 L N 2.646 123.845 121.223 -0.039 0.000 2.455 62 L HA 0.406 4.751 4.340 0.010 0.000 0.272 62 L C -0.344 176.481 176.870 -0.075 0.000 1.174 62 L CA 0.590 55.401 54.840 -0.048 0.000 0.869 62 L CB 0.662 42.694 42.059 -0.046 0.000 1.130 62 L HN 0.425 nan 8.230 nan 0.000 0.474 63 V N 4.628 124.490 119.914 -0.087 0.000 2.427 63 V HA 0.302 4.428 4.120 0.010 0.000 0.286 63 V C 0.456 176.461 176.094 -0.148 0.000 1.034 63 V CA -0.562 61.644 62.300 -0.156 0.000 0.893 63 V CB 1.390 33.093 31.823 -0.200 0.000 0.982 63 V HN 0.858 nan 8.190 nan 0.000 0.452 64 S N 6.331 121.932 115.700 -0.165 0.000 2.700 64 S HA 0.426 4.902 4.470 0.010 0.000 0.321 64 S C -0.066 174.431 174.600 -0.172 0.000 1.161 64 S CA -0.108 58.008 58.200 -0.140 0.000 1.078 64 S CB -0.633 62.498 63.200 -0.115 0.000 1.302 64 S HN 0.471 nan 8.310 nan 0.000 0.540 65 I N 4.896 125.354 120.570 -0.187 0.000 2.392 65 I HA 0.274 4.449 4.170 0.010 0.000 0.295 65 I C -1.269 174.681 176.117 -0.278 0.000 0.985 65 I CA -2.319 58.795 61.300 -0.309 0.000 1.221 65 I CB 1.803 39.594 38.000 -0.349 0.000 1.366 65 I HN 0.297 nan 8.210 nan 0.000 0.467 66 P HA 0.070 nan 4.420 nan 0.000 0.242 66 P C -0.206 177.029 177.300 -0.108 0.000 1.197 66 P CA 0.808 63.820 63.100 -0.147 0.000 0.765 66 P CB 0.396 32.064 31.700 -0.053 0.000 0.936 67 E N -0.439 119.661 120.200 -0.166 0.000 2.429 67 E HA 0.243 4.599 4.350 0.010 0.000 0.276 67 E C -0.939 175.619 176.600 -0.071 0.000 0.953 67 E CA -0.965 55.395 56.400 -0.067 0.000 0.787 67 E CB 1.175 30.886 29.700 0.019 0.000 1.307 67 E HN -0.111 nan 8.360 nan 0.000 0.458 68 D N 0.824 121.210 120.400 -0.024 0.000 2.399 68 D HA 0.180 4.826 4.640 0.010 0.000 0.241 68 D C -0.600 175.700 176.300 0.001 0.000 1.133 68 D CA 0.236 54.228 54.000 -0.014 0.000 0.890 68 D CB 1.172 41.973 40.800 0.002 0.000 1.201 68 D HN -0.040 nan 8.370 nan 0.000 0.432 69 V N 1.681 121.597 119.914 0.004 0.000 2.555 69 V HA 0.150 4.276 4.120 0.010 0.000 0.302 69 V C 1.225 177.337 176.094 0.029 0.000 1.038 69 V CA -0.646 61.669 62.300 0.026 0.000 0.887 69 V CB 1.888 33.724 31.823 0.022 0.000 0.991 69 V HN 0.478 nan 8.190 nan 0.000 0.434 70 V N 1.085 121.022 119.914 0.038 0.000 3.565 70 V HA 0.354 4.480 4.120 0.010 0.000 0.260 70 V C 0.352 176.465 176.094 0.032 0.000 1.231 70 V CA 0.589 62.910 62.300 0.035 0.000 1.100 70 V CB 0.021 31.868 31.823 0.040 0.000 0.807 70 V HN 0.830 nan 8.190 nan 0.000 0.454 71 Q N 0.304 120.122 119.800 0.030 0.000 2.284 71 Q HA 0.734 5.080 4.340 0.010 0.000 0.269 71 Q C -1.671 174.335 176.000 0.010 0.000 1.026 71 Q CA -0.133 55.681 55.803 0.018 0.000 0.831 71 Q CB 2.383 31.128 28.738 0.013 0.000 1.322 71 Q HN 0.548 nan 8.270 nan 0.000 0.419 72 A N 3.674 126.487 122.820 -0.012 0.000 2.385 72 A HA 0.621 4.947 4.320 0.010 0.000 0.290 72 A C -1.274 176.263 177.584 -0.077 0.000 1.094 72 A CA -0.606 51.414 52.037 -0.029 0.000 0.729 72 A CB 1.401 20.398 19.000 -0.007 0.000 1.194 72 A HN 0.619 nan 8.150 nan 0.000 0.442 73 E N 1.164 121.294 120.200 -0.116 0.000 2.199 73 E HA 0.605 4.961 4.350 0.010 0.000 0.269 73 E C -0.551 175.907 176.600 -0.237 0.000 0.899 73 E CA -0.543 55.758 56.400 -0.166 0.000 0.772 73 E CB 2.265 31.867 29.700 -0.163 0.000 1.155 73 E HN 0.750 nan 8.360 nan 0.000 0.408 74 A N 2.374 125.036 122.820 -0.262 0.000 2.260 74 A HA 0.651 4.977 4.320 0.010 0.000 0.308 74 A C 0.516 177.905 177.584 -0.325 0.000 1.254 74 A CA -0.105 51.748 52.037 -0.305 0.000 0.874 74 A CB 0.715 19.424 19.000 -0.486 0.000 1.153 74 A HN 0.561 nan 8.150 nan 0.000 0.527 75 G N 1.190 109.710 108.800 -0.467 0.000 2.525 75 G HA2 0.439 4.404 3.960 0.010 0.000 0.287 75 G HA3 0.439 4.404 3.960 0.010 0.000 0.287 75 G C 1.094 175.947 174.900 -0.077 0.000 1.350 75 G CA 0.045 44.878 45.100 -0.445 0.000 1.039 75 G HN 1.027 nan 8.290 nan 0.000 0.513 76 G N -0.492 108.329 108.800 0.036 0.000 2.545 76 G HA2 -0.136 3.830 3.960 0.010 0.000 0.217 76 G HA3 -0.136 3.830 3.960 0.010 0.000 0.217 76 G C 1.002 175.998 174.900 0.160 0.000 1.218 76 G CA 1.028 46.184 45.100 0.095 0.000 0.787 76 G HN 0.367 nan 8.290 nan 0.000 0.571 77 M N 1.424 121.126 119.600 0.169 0.000 3.002 77 M HA 0.288 4.774 4.480 0.010 0.000 0.398 77 M C -0.439 175.891 176.300 0.051 0.000 1.366 77 M CA -0.200 55.134 55.300 0.057 0.000 0.824 77 M CB 0.168 32.798 32.600 0.050 0.000 1.414 77 M HN 0.626 nan 8.290 nan 0.000 0.501 78 H N -1.772 117.233 119.070 -0.108 0.000 2.981 78 H HA 0.672 5.234 4.556 0.010 0.000 0.327 78 H C -1.745 173.510 175.328 -0.121 0.000 1.342 78 H CA -0.510 55.452 56.048 -0.143 0.000 1.123 78 H CB 1.036 30.741 29.762 -0.095 0.000 1.851 78 H HN -0.060 nan 8.280 nan 0.000 0.531 79 T N 1.432 115.741 114.554 -0.408 0.000 2.916 79 T HA 0.475 4.831 4.350 0.010 0.000 0.298 79 T C -0.785 173.559 174.700 -0.593 0.000 1.031 79 T CA -0.602 61.147 62.100 -0.584 0.000 0.993 79 T CB 1.779 70.162 68.868 -0.807 0.000 1.045 79 T HN 0.458 nan 8.240 nan 0.000 0.454 80 V N 2.073 121.772 119.914 -0.358 0.000 2.444 80 V HA 0.486 4.612 4.120 0.010 0.000 0.294 80 V C -0.429 175.622 176.094 -0.072 0.000 1.022 80 V CA -0.782 61.432 62.300 -0.145 0.000 0.850 80 V CB 1.423 33.209 31.823 -0.060 0.000 0.992 80 V HN 1.079 nan 8.190 nan 0.000 0.426 81 C N 5.867 125.194 119.300 0.044 0.000 2.379 81 C HA 0.679 5.145 4.460 0.010 0.000 0.323 81 C C -0.165 174.926 174.990 0.168 0.000 1.262 81 C CA -0.698 58.385 59.018 0.107 0.000 1.581 81 C CB 1.105 28.949 27.740 0.172 0.000 2.221 81 C HN 0.774 nan 8.230 nan 0.000 0.497 82 L N 4.212 125.503 121.223 0.113 0.000 2.282 82 L HA 0.576 4.922 4.340 0.010 0.000 0.288 82 L C 0.570 177.516 176.870 0.126 0.000 1.033 82 L CA 0.549 55.458 54.840 0.115 0.000 0.807 82 L CB 1.135 43.227 42.059 0.055 0.000 1.209 82 L HN 0.856 nan 8.230 nan 0.000 0.423 83 S N 3.201 119.006 115.700 0.175 0.000 2.632 83 S HA 0.277 4.753 4.470 0.010 0.000 0.267 83 S C 0.994 175.646 174.600 0.087 0.000 1.276 83 S CA -0.258 58.031 58.200 0.149 0.000 0.998 83 S CB 1.155 64.501 63.200 0.243 0.000 0.953 83 S HN 0.677 nan 8.310 nan 0.000 0.547 84 K N 1.194 121.634 120.400 0.067 0.000 2.209 84 K HA -0.080 4.246 4.320 0.010 0.000 0.204 84 K C 2.007 178.635 176.600 0.046 0.000 1.048 84 K CA 1.847 58.164 56.287 0.049 0.000 0.940 84 K CB -0.759 31.764 32.500 0.039 0.000 0.729 84 K HN 0.748 nan 8.250 nan 0.000 0.451 85 S N -1.777 113.956 115.700 0.055 0.000 2.558 85 S HA 0.180 4.655 4.470 0.010 0.000 0.217 85 S C 1.291 175.910 174.600 0.031 0.000 0.975 85 S CA 0.337 58.562 58.200 0.043 0.000 0.912 85 S CB 0.068 63.296 63.200 0.047 0.000 0.776 85 S HN 0.500 nan 8.310 nan 0.000 0.526 86 G N 0.205 109.027 108.800 0.037 0.000 2.148 86 G HA2 -0.209 3.757 3.960 0.010 0.000 0.203 86 G HA3 -0.209 3.757 3.960 0.010 0.000 0.203 86 G C -0.221 174.677 174.900 -0.004 0.000 0.993 86 G CA 0.024 45.133 45.100 0.015 0.000 0.661 86 G HN 0.710 nan 8.290 nan 0.000 0.518 87 Q N 0.603 120.411 119.800 0.013 0.000 2.235 87 Q HA 0.642 4.988 4.340 0.010 0.000 0.250 87 Q C 0.050 176.024 176.000 -0.043 0.000 0.909 87 Q CA -0.533 55.233 55.803 -0.063 0.000 0.910 87 Q CB 1.701 30.383 28.738 -0.093 0.000 1.223 87 Q HN 0.393 nan 8.270 nan 0.000 0.432 88 V N 5.196 125.028 119.914 -0.137 0.000 2.427 88 V HA 0.394 4.520 4.120 0.010 0.000 0.286 88 V C -0.862 175.124 176.094 -0.181 0.000 1.034 88 V CA -0.532 61.748 62.300 -0.032 0.000 0.893 88 V CB 0.592 32.455 31.823 0.067 0.000 0.982 88 V HN 0.710 nan 8.190 nan 0.000 0.452 89 Y N 2.133 122.479 120.300 0.077 0.000 2.468 89 Y HA 0.689 5.245 4.550 0.011 0.000 0.342 89 Y C 0.471 176.439 175.900 0.113 0.000 1.021 89 Y CA -0.495 57.669 58.100 0.106 0.000 1.079 89 Y CB 2.355 40.901 38.460 0.143 0.000 1.226 89 Y HN 0.715 nan 8.280 nan 0.000 0.460 90 S N 2.346 118.219 115.700 0.288 0.000 2.564 90 S HA 0.908 5.384 4.470 0.010 0.000 0.274 90 S C -1.421 173.341 174.600 0.269 0.000 1.124 90 S CA -0.821 57.463 58.200 0.141 0.000 0.869 90 S CB 1.721 65.022 63.200 0.169 0.000 1.105 90 S HN 0.583 nan 8.310 nan 0.000 0.472 91 F N -1.479 118.553 119.950 0.137 0.000 2.650 91 F HA 0.953 5.485 4.527 0.008 0.000 0.310 91 F C 0.202 176.052 175.800 0.084 0.000 1.112 91 F CA -0.053 57.999 58.000 0.087 0.000 0.986 91 F CB 1.242 40.275 39.000 0.056 0.000 1.285 91 F HN 1.305 nan 8.300 nan 0.000 0.440 92 G N -0.408 108.525 108.800 0.222 0.000 2.270 92 G HA2 0.153 4.118 3.960 0.010 0.000 0.268 92 G HA3 0.153 4.118 3.960 0.010 0.000 0.268 92 G C -1.509 173.435 174.900 0.073 0.000 1.312 92 G CA -0.545 44.627 45.100 0.119 0.000 1.050 92 G HN 1.301 nan 8.290 nan 0.000 0.474 93 C N 0.632 119.958 119.300 0.043 0.000 2.632 93 C HA 0.632 5.098 4.460 0.010 0.000 0.415 93 C C 1.281 176.258 174.990 -0.021 0.000 1.332 93 C CA 0.589 59.614 59.018 0.012 0.000 1.874 93 C CB -0.294 27.451 27.740 0.008 0.000 2.596 93 C HN 0.774 nan 8.230 nan 0.000 0.590 94 N N 2.319 121.012 118.700 -0.010 0.000 2.238 94 N HA 0.163 4.909 4.740 0.010 0.000 0.235 94 N C 0.823 176.323 175.510 -0.017 0.000 1.209 94 N CA -0.009 53.030 53.050 -0.020 0.000 0.879 94 N CB 0.007 38.492 38.487 -0.002 0.000 1.136 94 N HN 0.695 nan 8.380 nan 0.000 0.517 95 D N 0.325 120.717 120.400 -0.014 0.000 2.149 95 D HA -0.114 4.532 4.640 0.010 0.000 0.198 95 D C 1.061 177.355 176.300 -0.010 0.000 0.990 95 D CA 1.206 55.202 54.000 -0.007 0.000 0.839 95 D CB 0.297 41.097 40.800 0.001 0.000 0.948 95 D HN 0.320 nan 8.370 nan 0.000 0.460 96 E N -1.012 119.174 120.200 -0.022 0.000 2.474 96 E HA 0.207 4.563 4.350 0.010 0.000 0.195 96 E C 1.265 177.851 176.600 -0.023 0.000 1.039 96 E CA 0.458 56.843 56.400 -0.024 0.000 0.881 96 E CB 0.867 30.549 29.700 -0.031 0.000 0.970 96 E HN 0.295 nan 8.360 nan 0.000 0.486 97 G N 0.994 109.783 108.800 -0.017 0.000 2.159 97 G HA2 -0.322 3.644 3.960 0.010 0.000 0.227 97 G HA3 -0.322 3.644 3.960 0.010 0.000 0.227 97 G C 1.183 176.134 174.900 0.085 0.000 0.986 97 G CA 0.510 45.623 45.100 0.021 0.000 0.651 97 G HN 0.392 nan 8.290 nan 0.000 0.523 98 A N -0.102 122.693 122.820 -0.042 0.000 2.070 98 A HA 0.285 4.611 4.320 0.010 0.000 0.220 98 A C 2.327 179.956 177.584 0.075 0.000 1.159 98 A CA 1.706 53.644 52.037 -0.164 0.000 0.656 98 A CB -0.255 18.312 19.000 -0.722 0.000 0.800 98 A HN 0.779 nan 8.150 nan 0.000 0.453 99 L N -1.363 119.911 121.223 0.086 0.000 2.313 99 L HA 0.071 4.417 4.340 0.010 0.000 0.214 99 L C 1.781 178.706 176.870 0.090 0.000 1.119 99 L CA 0.654 55.581 54.840 0.144 0.000 0.809 99 L CB -0.739 41.357 42.059 0.061 0.000 0.933 99 L HN 0.582 nan 8.230 nan 0.000 0.449 100 G N 1.844 110.590 108.800 -0.090 0.000 2.221 100 G HA2 -0.297 3.669 3.960 0.010 0.000 0.265 100 G HA3 -0.297 3.669 3.960 0.010 0.000 0.265 100 G C 0.230 174.853 174.900 -0.462 0.000 1.041 100 G CA 0.761 45.437 45.100 -0.706 0.000 0.807 100 G HN 0.612 nan 8.290 nan 0.000 0.502 101 R N -1.728 118.638 120.500 -0.223 0.000 2.733 101 R HA 0.586 4.932 4.340 0.010 0.000 0.272 101 R C -1.771 174.473 176.300 -0.094 0.000 1.029 101 R CA -0.944 55.056 56.100 -0.165 0.000 0.888 101 R CB 0.571 30.791 30.300 -0.135 0.000 1.251 101 R HN 0.034 nan 8.270 nan 0.000 0.464 102 D N 1.247 121.600 120.400 -0.079 0.000 2.325 102 D HA 0.127 4.773 4.640 0.010 0.000 0.251 102 D C -0.018 176.264 176.300 -0.030 0.000 1.196 102 D CA -0.020 53.950 54.000 -0.051 0.000 0.866 102 D CB 1.319 42.089 40.800 -0.050 0.000 1.101 102 D HN 0.580 nan 8.370 nan 0.000 0.476 103 T N 0.167 114.710 114.554 -0.018 0.000 3.275 103 T HA 0.176 4.531 4.350 0.010 0.000 0.265 103 T C 1.368 176.066 174.700 -0.005 0.000 0.978 103 T CA -0.557 61.540 62.100 -0.004 0.000 0.923 103 T CB 0.055 68.927 68.868 0.006 0.000 1.126 103 T HN 0.114 nan 8.240 nan 0.000 0.538 104 S N 1.116 116.810 115.700 -0.010 0.000 2.359 104 S HA -0.029 4.447 4.470 0.010 0.000 0.224 104 S C 1.141 175.738 174.600 -0.006 0.000 1.035 104 S CA 0.476 58.670 58.200 -0.009 0.000 1.018 104 S CB -0.334 62.859 63.200 -0.012 0.000 0.876 104 S HN 0.601 nan 8.310 nan 0.000 0.448 105 V N 3.969 123.880 119.914 -0.005 0.000 2.557 105 V HA -0.018 4.108 4.120 0.010 0.000 0.301 105 V C 0.534 176.628 176.094 -0.001 0.000 1.026 105 V CA -0.008 62.290 62.300 -0.003 0.000 1.137 105 V CB 0.007 31.828 31.823 -0.003 0.000 0.917 105 V HN 0.342 nan 8.190 nan 0.000 0.484 106 E N 4.163 124.363 120.200 -0.001 0.000 2.493 106 E HA 0.155 4.510 4.350 0.010 0.000 0.255 106 E C 1.307 177.907 176.600 0.000 0.000 0.999 106 E CA 1.062 57.462 56.400 -0.000 0.000 0.934 106 E CB 0.356 30.055 29.700 -0.002 0.000 0.940 106 E HN 1.075 nan 8.360 nan 0.000 0.473 107 G N 2.952 111.754 108.800 0.003 0.000 2.176 107 G HA2 -0.380 3.586 3.960 0.010 0.000 0.253 107 G HA3 -0.380 3.586 3.960 0.010 0.000 0.253 107 G C 1.044 175.948 174.900 0.007 0.000 0.979 107 G CA 0.747 45.849 45.100 0.003 0.000 0.641 107 G HN 0.573 nan 8.290 nan 0.000 0.530 108 S N 0.515 116.222 115.700 0.012 0.000 2.481 108 S HA 0.019 4.494 4.470 0.010 0.000 0.231 108 S C 1.815 176.440 174.600 0.042 0.000 0.996 108 S CA 1.410 59.622 58.200 0.020 0.000 0.942 108 S CB -0.038 63.171 63.200 0.015 0.000 0.768 108 S HN 0.817 nan 8.310 nan 0.000 0.520 109 E N 1.182 121.409 120.200 0.045 0.000 2.435 109 E HA 0.024 4.380 4.350 0.010 0.000 0.195 109 E C 1.346 178.007 176.600 0.102 0.000 1.029 109 E CA 0.316 56.761 56.400 0.075 0.000 0.865 109 E CB -0.284 29.449 29.700 0.055 0.000 0.833 109 E HN 0.506 nan 8.360 nan 0.000 0.510 110 M N 1.356 120.990 119.600 0.057 0.000 2.428 110 M HA 0.174 4.660 4.480 0.010 0.000 0.239 110 M C 0.824 177.107 176.300 -0.028 0.000 1.121 110 M CA 0.068 55.389 55.300 0.033 0.000 1.019 110 M CB 0.477 33.079 32.600 0.004 0.000 1.485 110 M HN -0.003 nan 8.290 nan 0.000 0.484 111 V N -2.387 117.513 119.914 -0.023 0.000 3.001 111 V HA 0.694 4.820 4.120 0.010 0.000 0.314 111 V C -2.958 173.120 176.094 -0.026 0.000 1.099 111 V CA -2.665 59.566 62.300 -0.114 0.000 0.989 111 V CB 1.398 33.176 31.823 -0.075 0.000 1.040 111 V HN -0.102 nan 8.190 nan 0.000 0.434 112 P HA 0.431 nan 4.420 nan 0.000 0.266 112 P C -0.007 177.429 177.300 0.227 0.000 1.195 112 P CA 0.817 64.031 63.100 0.190 0.000 0.768 112 P CB 0.571 32.306 31.700 0.058 0.000 0.838 113 G N 1.323 110.308 108.800 0.309 0.000 2.659 113 G HA2 0.467 4.433 3.960 0.010 0.000 0.296 113 G HA3 0.467 4.433 3.960 0.010 0.000 0.296 113 G C -1.408 173.569 174.900 0.128 0.000 1.369 113 G CA -0.741 44.480 45.100 0.202 0.000 0.937 113 G HN 0.263 nan 8.290 nan 0.000 0.485 114 K N 0.627 120.993 120.400 -0.056 0.000 2.379 114 K HA 0.379 4.705 4.320 0.010 0.000 0.284 114 K C 0.408 176.853 176.600 -0.258 0.000 1.044 114 K CA -0.249 55.828 56.287 -0.351 0.000 0.974 114 K CB 0.844 33.145 32.500 -0.331 0.000 0.962 114 K HN 0.208 nan 8.250 nan 0.000 0.474 115 V N 4.406 124.141 119.914 -0.298 0.000 2.740 115 V HA -0.037 4.089 4.120 0.010 0.000 0.303 115 V C 0.189 176.063 176.094 -0.366 0.000 1.054 115 V CA 0.129 62.232 62.300 -0.328 0.000 1.106 115 V CB 1.016 32.631 31.823 -0.345 0.000 0.957 115 V HN 0.765 nan 8.190 nan 0.000 0.486 116 E N 4.401 124.363 120.200 -0.396 0.000 1.852 116 E HA 0.320 4.676 4.350 0.010 0.000 0.276 116 E C -0.774 175.598 176.600 -0.380 0.000 1.163 116 E CA -0.146 56.057 56.400 -0.328 0.000 1.117 116 E CB 0.298 29.840 29.700 -0.264 0.000 1.124 116 E HN 0.336 nan 8.360 nan 0.000 0.458 117 L N 1.947 122.951 121.223 -0.366 0.000 2.541 117 L HA 0.155 4.501 4.340 0.010 0.000 0.266 117 L C -0.877 175.801 176.870 -0.321 0.000 0.966 117 L CA -0.180 54.414 54.840 -0.409 0.000 0.871 117 L CB 1.769 43.541 42.059 -0.479 0.000 1.232 117 L HN 0.197 nan 8.230 nan 0.000 0.408 118 Q N 4.393 124.023 119.800 -0.284 0.000 3.027 118 Q HA 0.339 4.684 4.340 0.010 0.000 0.260 118 Q C -0.875 175.008 176.000 -0.195 0.000 1.379 118 Q CA -0.010 55.675 55.803 -0.197 0.000 1.038 118 Q CB 0.404 29.060 28.738 -0.137 0.000 1.578 118 Q HN 0.479 nan 8.270 nan 0.000 0.571 119 E N 0.798 120.875 120.200 -0.205 0.000 2.408 119 E HA 0.252 4.608 4.350 0.010 0.000 0.275 119 E C -1.026 175.519 176.600 -0.093 0.000 0.935 119 E CA -0.825 55.485 56.400 -0.150 0.000 0.775 119 E CB 1.538 31.105 29.700 -0.222 0.000 1.277 119 E HN 0.021 nan 8.360 nan 0.000 0.455 120 K N 2.113 122.487 120.400 -0.044 0.000 2.231 120 K HA 0.275 4.601 4.320 0.010 0.000 0.275 120 K C -0.628 175.966 176.600 -0.011 0.000 1.105 120 K CA -0.245 56.029 56.287 -0.021 0.000 0.931 120 K CB 0.225 32.725 32.500 -0.001 0.000 1.296 120 K HN 0.245 nan 8.250 nan 0.000 0.446 121 V N 4.238 124.141 119.914 -0.019 0.000 2.686 121 V HA 0.085 4.211 4.120 0.010 0.000 0.295 121 V C 1.202 177.279 176.094 -0.028 0.000 1.057 121 V CA -0.280 62.014 62.300 -0.009 0.000 1.012 121 V CB 1.506 33.334 31.823 0.008 0.000 1.006 121 V HN 0.646 nan 8.190 nan 0.000 0.477 122 V N 0.652 120.516 119.914 -0.082 0.000 3.502 122 V HA 0.447 4.573 4.120 0.010 0.000 0.288 122 V C 0.063 175.959 176.094 -0.330 0.000 1.461 122 V CA 0.229 62.423 62.300 -0.177 0.000 1.029 122 V CB -0.101 31.607 31.823 -0.193 0.000 0.843 122 V HN 0.867 nan 8.190 nan 0.000 0.438 123 Q N 0.732 120.391 119.800 -0.235 0.000 2.479 123 Q HA 0.617 4.962 4.340 0.010 0.000 0.276 123 Q C -1.809 174.143 176.000 -0.080 0.000 0.989 123 Q CA -0.363 55.327 55.803 -0.189 0.000 0.864 123 Q CB 3.102 31.671 28.738 -0.282 0.000 1.444 123 Q HN 0.478 nan 8.270 nan 0.000 0.388 124 V N -0.514 119.366 119.914 -0.056 0.000 3.074 124 V HA 1.012 5.137 4.120 0.010 0.000 0.314 124 V C -0.764 175.280 176.094 -0.084 0.000 1.117 124 V CA -0.180 62.084 62.300 -0.060 0.000 1.014 124 V CB 1.807 33.608 31.823 -0.038 0.000 1.057 124 V HN 0.898 nan 8.190 nan 0.000 0.438 125 S N 0.317 115.941 115.700 -0.127 0.000 2.579 125 S HA 0.980 5.456 4.470 0.010 0.000 0.272 125 S C -0.625 173.837 174.600 -0.231 0.000 1.141 125 S CA -0.244 57.868 58.200 -0.146 0.000 0.843 125 S CB 1.640 64.778 63.200 -0.105 0.000 1.122 125 S HN 2.454 nan 8.310 nan 0.000 0.468 126 A N 0.488 123.141 122.820 -0.278 0.000 2.486 126 A HA 0.966 5.292 4.320 0.010 0.000 0.300 126 A C 0.115 177.422 177.584 -0.462 0.000 1.048 126 A CA -0.358 51.443 52.037 -0.395 0.000 0.696 126 A CB 1.289 20.049 19.000 -0.401 0.000 1.278 126 A HN 1.581 nan 8.150 nan 0.000 0.405 127 G N -0.310 108.062 108.800 -0.714 0.000 3.119 127 G HA2 0.448 4.414 3.960 0.010 0.000 0.206 127 G HA3 0.448 4.414 3.960 0.010 0.000 0.206 127 G C 0.205 175.031 174.900 -0.124 0.000 1.313 127 G CA 0.448 45.283 45.100 -0.443 0.000 1.010 127 G HN 0.594 nan 8.290 nan 0.000 0.578 128 D N -0.946 119.465 120.400 0.019 0.000 2.117 128 D HA -0.016 4.630 4.640 0.010 0.000 0.197 128 D C 1.857 178.215 176.300 0.096 0.000 0.987 128 D CA 1.684 55.732 54.000 0.080 0.000 0.829 128 D CB 0.264 41.130 40.800 0.111 0.000 0.961 128 D HN 0.177 nan 8.370 nan 0.000 0.460 129 S N -1.533 114.217 115.700 0.083 0.000 3.009 129 S HA 0.100 4.576 4.470 0.010 0.000 0.254 129 S C -0.376 174.173 174.600 -0.086 0.000 1.004 129 S CA -0.677 57.512 58.200 -0.019 0.000 1.119 129 S CB 0.348 63.557 63.200 0.016 0.000 1.075 129 S HN 0.450 nan 8.310 nan 0.000 0.618 130 H N -0.517 118.465 119.070 -0.147 0.000 2.894 130 H HA 0.733 5.295 4.556 0.010 0.000 0.368 130 H C -1.470 173.697 175.328 -0.269 0.000 1.181 130 H CA -0.541 55.332 56.048 -0.291 0.000 1.146 130 H CB 1.435 30.949 29.762 -0.413 0.000 1.839 130 H HN -0.093 nan 8.280 nan 0.000 0.557 131 T N 0.832 115.069 114.554 -0.529 0.000 2.912 131 T HA 0.673 5.029 4.350 0.010 0.000 0.299 131 T C -0.767 173.387 174.700 -0.911 0.000 1.052 131 T CA -0.405 61.239 62.100 -0.758 0.000 0.996 131 T CB 1.623 69.898 68.868 -0.988 0.000 1.070 131 T HN 0.898 nan 8.240 nan 0.000 0.465 132 A N 1.583 124.070 122.820 -0.556 0.000 2.380 132 A HA 1.008 5.334 4.320 0.010 0.000 0.315 132 A C -0.878 176.544 177.584 -0.270 0.000 1.101 132 A CA -0.872 50.942 52.037 -0.371 0.000 0.771 132 A CB 1.440 20.381 19.000 -0.098 0.000 1.287 132 A HN 1.220 nan 8.150 nan 0.000 0.436 133 A N 0.639 123.428 122.820 -0.052 0.000 2.455 133 A HA 0.655 4.981 4.320 0.010 0.000 0.300 133 A C -1.533 176.141 177.584 0.149 0.000 1.040 133 A CA -0.399 51.694 52.037 0.093 0.000 0.697 133 A CB 1.269 20.438 19.000 0.282 0.000 1.265 133 A HN 1.683 nan 8.150 nan 0.000 0.407 134 L N 2.730 123.997 121.223 0.073 0.000 2.287 134 L HA 0.645 4.991 4.340 0.010 0.000 0.287 134 L C 0.785 177.697 176.870 0.071 0.000 1.022 134 L CA 0.253 55.135 54.840 0.070 0.000 0.814 134 L CB 1.355 43.414 42.059 0.000 0.000 1.217 134 L HN 0.899 nan 8.230 nan 0.000 0.420 135 T N 0.002 114.639 114.554 0.139 0.000 2.813 135 T HA 0.149 4.505 4.350 0.010 0.000 0.297 135 T C 0.926 175.672 174.700 0.076 0.000 1.036 135 T CA 0.116 62.283 62.100 0.113 0.000 1.044 135 T CB 0.566 69.540 68.868 0.177 0.000 0.993 135 T HN 0.719 nan 8.240 nan 0.000 0.535 136 D N -0.013 120.425 120.400 0.062 0.000 2.310 136 D HA -0.143 4.503 4.640 0.010 0.000 0.212 136 D C 1.046 177.394 176.300 0.080 0.000 0.965 136 D CA 0.920 54.961 54.000 0.070 0.000 0.879 136 D CB -0.317 40.516 40.800 0.055 0.000 0.921 136 D HN 0.817 nan 8.370 nan 0.000 0.510 137 D N -1.124 119.322 120.400 0.077 0.000 2.363 137 D HA 0.181 4.827 4.640 0.010 0.000 0.214 137 D C 1.308 177.647 176.300 0.065 0.000 1.093 137 D CA 0.292 54.333 54.000 0.068 0.000 0.837 137 D CB -0.058 40.777 40.800 0.058 0.000 0.948 137 D HN 0.300 nan 8.370 nan 0.000 0.507 138 G N 1.133 109.978 108.800 0.075 0.000 2.130 138 G HA2 -0.260 3.706 3.960 0.010 0.000 0.216 138 G HA3 -0.260 3.706 3.960 0.010 0.000 0.216 138 G C -0.022 174.898 174.900 0.033 0.000 0.999 138 G CA -0.430 44.705 45.100 0.059 0.000 0.686 138 G HN 0.375 nan 8.290 nan 0.000 0.515 139 R N -0.638 119.897 120.500 0.058 0.000 2.428 139 R HA 0.617 4.963 4.340 0.010 0.000 0.294 139 R C -0.069 176.260 176.300 0.049 0.000 1.000 139 R CA -0.679 55.431 56.100 0.017 0.000 0.960 139 R CB 1.989 32.309 30.300 0.034 0.000 1.076 139 R HN 0.077 nan 8.270 nan 0.000 0.475 140 V N 4.019 123.893 119.914 -0.067 0.000 2.435 140 V HA 0.399 4.525 4.120 0.010 0.000 0.290 140 V C -0.613 175.403 176.094 -0.130 0.000 1.030 140 V CA -0.507 61.786 62.300 -0.011 0.000 0.881 140 V CB 1.004 32.805 31.823 -0.037 0.000 0.983 140 V HN 0.503 nan 8.190 nan 0.000 0.445 141 F N 4.748 124.750 119.950 0.087 0.000 2.458 141 F HA 0.795 5.327 4.527 0.010 0.000 0.330 141 F C -0.193 175.697 175.800 0.150 0.000 1.082 141 F CA -0.797 57.306 58.000 0.171 0.000 0.995 141 F CB 1.858 41.027 39.000 0.281 0.000 1.170 141 F HN 0.308 nan 8.300 nan 0.000 0.478 142 L N 3.168 124.600 121.223 0.348 0.000 2.445 142 L HA 0.688 5.033 4.340 0.010 0.000 0.262 142 L C -1.868 175.186 176.870 0.306 0.000 0.974 142 L CA -0.711 54.199 54.840 0.117 0.000 0.822 142 L CB 1.710 43.786 42.059 0.030 0.000 1.339 142 L HN 0.697 nan 8.230 nan 0.000 0.409 143 W N 3.492 124.793 121.300 0.003 0.000 3.083 143 W HA 0.912 5.578 4.660 0.009 0.000 0.333 143 W C 0.033 176.490 176.519 -0.102 0.000 1.217 143 W CA -0.360 56.957 57.345 -0.047 0.000 1.170 143 W CB 0.607 30.052 29.460 -0.026 0.000 1.437 143 W HN 1.023 nan 8.180 nan 0.000 0.557 144 G N 1.019 109.880 108.800 0.101 0.000 2.443 144 G HA2 0.396 4.362 3.960 0.010 0.000 0.209 144 G HA3 0.396 4.362 3.960 0.010 0.000 0.209 144 G C -0.357 174.457 174.900 -0.144 0.000 1.176 144 G CA 0.184 45.260 45.100 -0.041 0.000 1.074 144 G HN 2.060 nan 8.290 nan 0.000 0.577 145 S N -1.131 114.444 115.700 -0.209 0.000 2.625 145 S HA 0.827 5.303 4.470 0.010 0.000 0.271 145 S C -1.268 173.138 174.600 -0.324 0.000 1.161 145 S CA -0.774 57.262 58.200 -0.272 0.000 0.820 145 S CB 2.044 65.194 63.200 -0.083 0.000 1.137 145 S HN 1.234 nan 8.310 nan 0.000 0.470 146 F N 0.737 120.700 119.950 0.023 0.000 2.458 146 F HA 0.720 5.253 4.527 0.009 0.000 0.330 146 F C 0.905 176.738 175.800 0.054 0.000 1.082 146 F CA -0.733 57.285 58.000 0.030 0.000 0.995 146 F CB 1.676 40.666 39.000 -0.017 0.000 1.170 146 F HN 0.511 nan 8.300 nan 0.000 0.478 147 R N 1.036 121.706 120.500 0.283 0.000 2.807 147 R HA 0.442 4.788 4.340 0.010 0.000 0.276 147 R C -1.055 175.350 176.300 0.176 0.000 0.979 147 R CA -1.059 55.154 56.100 0.188 0.000 0.928 147 R CB 2.028 32.421 30.300 0.155 0.000 1.191 147 R HN 0.697 nan 8.270 nan 0.000 0.471 148 D N 0.170 120.648 120.400 0.130 0.000 2.595 148 D HA 0.022 4.668 4.640 0.010 0.000 0.268 148 D C 0.601 176.954 176.300 0.088 0.000 1.181 148 D CA -0.592 53.472 54.000 0.106 0.000 1.085 148 D CB -0.039 40.811 40.800 0.082 0.000 1.186 148 D HN 0.458 nan 8.370 nan 0.000 0.621 149 N N 0.221 118.957 118.700 0.059 0.000 2.104 149 N HA -0.224 4.521 4.740 0.010 0.000 0.190 149 N C 0.846 176.387 175.510 0.052 0.000 1.024 149 N CA 1.446 54.522 53.050 0.044 0.000 0.853 149 N CB -0.763 37.738 38.487 0.023 0.000 1.008 149 N HN 0.312 nan 8.380 nan 0.000 0.424 150 N N -0.008 118.723 118.700 0.052 0.000 2.336 150 N HA 0.172 4.918 4.740 0.010 0.000 0.177 150 N C 0.881 176.422 175.510 0.053 0.000 1.018 150 N CA 1.239 54.317 53.050 0.047 0.000 0.878 150 N CB 0.497 39.009 38.487 0.043 0.000 0.997 150 N HN 0.570 nan 8.380 nan 0.000 0.433 151 G N -1.051 107.788 108.800 0.064 0.000 2.356 151 G HA2 0.048 4.014 3.960 0.010 0.000 0.288 151 G HA3 0.048 4.014 3.960 0.010 0.000 0.288 151 G C -1.438 173.510 174.900 0.079 0.000 1.302 151 G CA -0.748 44.392 45.100 0.067 0.000 0.887 151 G HN -0.077 nan 8.290 nan 0.000 0.521 152 V N 1.234 121.192 119.914 0.073 0.000 2.557 152 V HA 0.172 4.298 4.120 0.010 0.000 0.301 152 V C 1.850 177.993 176.094 0.081 0.000 1.026 152 V CA 1.292 63.639 62.300 0.079 0.000 1.137 152 V CB 0.342 32.198 31.823 0.056 0.000 0.917 152 V HN 0.844 nan 8.190 nan 0.000 0.484 153 I N 1.832 122.467 120.570 0.109 0.000 4.057 153 I HA 0.657 4.833 4.170 0.010 0.000 0.334 153 I C 0.920 177.101 176.117 0.106 0.000 1.308 153 I CA 0.524 61.888 61.300 0.107 0.000 1.125 153 I CB 0.200 38.273 38.000 0.121 0.000 1.034 153 I HN 0.801 nan 8.210 nan 0.000 0.401 154 G N 1.530 110.390 108.800 0.099 0.000 2.384 154 G HA2 -0.128 3.838 3.960 0.010 0.000 0.204 154 G HA3 -0.128 3.838 3.960 0.010 0.000 0.204 154 G C -0.677 174.264 174.900 0.069 0.000 1.237 154 G CA -0.057 45.085 45.100 0.070 0.000 1.060 154 G HN 0.255 nan 8.290 nan 0.000 0.514 155 L N -1.917 119.338 121.223 0.052 0.000 3.610 155 L HA 0.628 4.974 4.340 0.010 0.000 0.178 155 L C 1.916 178.878 176.870 0.152 0.000 1.158 155 L CA 0.628 55.447 54.840 -0.035 0.000 0.852 155 L CB -0.328 41.629 42.059 -0.169 0.000 1.595 155 L HN 0.574 nan 8.230 nan 0.000 0.621 156 L N -0.493 120.774 121.223 0.073 0.000 2.515 156 L HA 0.299 4.645 4.340 0.010 0.000 0.223 156 L C -0.202 176.703 176.870 0.058 0.000 1.079 156 L CA 0.143 55.030 54.840 0.077 0.000 0.857 156 L CB 0.331 42.413 42.059 0.040 0.000 1.050 156 L HN 0.305 nan 8.230 nan 0.000 0.476 157 E N -0.321 119.908 120.200 0.049 0.000 2.288 157 E HA 0.327 4.683 4.350 0.010 0.000 0.268 157 E C -2.477 174.150 176.600 0.045 0.000 0.885 157 E CA -2.329 54.093 56.400 0.038 0.000 0.767 157 E CB 1.630 31.345 29.700 0.024 0.000 1.220 157 E HN -0.214 nan 8.360 nan 0.000 0.427 158 P HA -0.054 nan 4.420 nan 0.000 0.262 158 P C -0.281 177.041 177.300 0.037 0.000 1.199 158 P CA 0.559 63.684 63.100 0.040 0.000 0.763 158 P CB 0.274 31.991 31.700 0.028 0.000 0.790 159 M N 0.363 119.989 119.600 0.043 0.000 2.939 159 M HA -0.221 4.265 4.480 0.010 0.000 0.202 159 M C -0.616 175.702 176.300 0.029 0.000 0.592 159 M CA 1.324 56.647 55.300 0.037 0.000 0.749 159 M CB -2.412 30.206 32.600 0.030 0.000 2.692 159 M HN 0.400 nan 8.290 nan 0.000 0.382 160 K N 1.434 121.851 120.400 0.028 0.000 2.483 160 K HA 0.469 4.795 4.320 0.010 0.000 0.256 160 K C 0.361 176.966 176.600 0.009 0.000 0.961 160 K CA -0.683 55.614 56.287 0.018 0.000 0.873 160 K CB 2.186 34.696 32.500 0.017 0.000 1.107 160 K HN 0.325 nan 8.250 nan 0.000 0.432 161 K N 0.302 120.702 120.400 0.001 0.000 2.118 161 K HA 0.373 4.699 4.320 0.010 0.000 0.240 161 K C -0.271 176.326 176.600 -0.005 0.000 1.035 161 K CA -0.635 55.641 56.287 -0.018 0.000 0.899 161 K CB 1.208 33.698 32.500 -0.017 0.000 1.085 161 K HN 0.265 nan 8.250 nan 0.000 0.498 162 S N 0.545 116.246 115.700 0.002 0.000 2.672 162 S HA 0.258 4.734 4.470 0.010 0.000 0.291 162 S C 0.483 175.113 174.600 0.049 0.000 1.145 162 S CA -0.948 57.270 58.200 0.030 0.000 1.013 162 S CB 0.982 64.215 63.200 0.055 0.000 1.017 162 S HN 0.659 nan 8.310 nan 0.000 0.487 163 M N 3.361 122.972 119.600 0.019 0.000 2.476 163 M HA 0.099 4.585 4.480 0.010 0.000 0.262 163 M C 0.712 176.986 176.300 -0.044 0.000 1.079 163 M CA 0.691 55.991 55.300 0.000 0.000 1.104 163 M CB -1.210 31.377 32.600 -0.021 0.000 1.409 163 M HN 0.590 nan 8.290 nan 0.000 0.467 164 V N -2.346 117.547 119.914 -0.035 0.000 2.864 164 V HA 0.609 4.735 4.120 0.010 0.000 0.314 164 V C -2.847 173.229 176.094 -0.031 0.000 1.073 164 V CA -2.771 59.459 62.300 -0.117 0.000 0.956 164 V CB 1.310 33.079 31.823 -0.090 0.000 1.023 164 V HN -0.082 nan 8.190 nan 0.000 0.435 165 P HA 0.250 nan 4.420 nan 0.000 0.262 165 P C -0.725 176.764 177.300 0.315 0.000 1.199 165 P CA 0.351 63.527 63.100 0.126 0.000 0.763 165 P CB 0.679 32.216 31.700 -0.271 0.000 0.790 166 V N 4.369 124.520 119.914 0.395 0.000 2.604 166 V HA 0.273 4.399 4.120 0.010 0.000 0.305 166 V C 0.202 176.339 176.094 0.071 0.000 1.043 166 V CA -0.737 61.705 62.300 0.237 0.000 0.888 166 V CB 1.864 33.755 31.823 0.115 0.000 0.995 166 V HN 0.441 nan 8.190 nan 0.000 0.429 167 Q N 2.513 122.182 119.800 -0.220 0.000 2.297 167 Q HA 0.339 4.685 4.340 0.010 0.000 0.267 167 Q C -0.688 175.114 176.000 -0.330 0.000 1.006 167 Q CA -0.317 55.066 55.803 -0.700 0.000 0.896 167 Q CB 1.344 29.640 28.738 -0.737 0.000 1.186 167 Q HN 0.629 nan 8.270 nan 0.000 0.392 168 V N 5.178 124.907 119.914 -0.308 0.000 2.529 168 V HA -0.078 4.048 4.120 0.010 0.000 0.292 168 V C 0.319 176.310 176.094 -0.171 0.000 1.028 168 V CA 0.362 62.560 62.300 -0.170 0.000 1.074 168 V CB 0.962 32.711 31.823 -0.124 0.000 0.958 168 V HN 0.839 nan 8.190 nan 0.000 0.481 169 Q N 4.030 123.761 119.800 -0.115 0.000 3.004 169 Q HA 0.255 4.601 4.340 0.010 0.000 0.256 169 Q C -0.609 175.323 176.000 -0.112 0.000 1.387 169 Q CA -0.167 55.575 55.803 -0.101 0.000 0.962 169 Q CB 0.214 28.913 28.738 -0.064 0.000 1.676 169 Q HN 0.488 nan 8.270 nan 0.000 0.568 170 L N 0.479 121.613 121.223 -0.149 0.000 2.319 170 L HA 0.408 4.753 4.340 0.010 0.000 0.267 170 L C -0.375 176.401 176.870 -0.157 0.000 1.011 170 L CA -0.152 54.569 54.840 -0.199 0.000 0.818 170 L CB 2.143 44.032 42.059 -0.284 0.000 1.316 170 L HN 0.112 nan 8.230 nan 0.000 0.432 171 D N 1.101 121.407 120.400 -0.156 0.000 2.740 171 D HA 0.311 4.957 4.640 0.010 0.000 0.301 171 D C -1.433 174.818 176.300 -0.081 0.000 1.408 171 D CA 0.229 54.173 54.000 -0.093 0.000 0.808 171 D CB 0.398 41.162 40.800 -0.059 0.000 1.128 171 D HN 0.224 nan 8.370 nan 0.000 0.465 172 V N -1.769 118.075 119.914 -0.117 0.000 2.841 172 V HA 0.737 4.863 4.120 0.010 0.000 0.310 172 V C -2.714 173.337 176.094 -0.073 0.000 1.090 172 V CA -2.233 60.022 62.300 -0.075 0.000 0.930 172 V CB 1.632 33.420 31.823 -0.058 0.000 1.014 172 V HN -0.175 nan 8.190 nan 0.000 0.425 173 P HA 0.335 nan 4.420 nan 0.000 0.268 173 P C -0.638 176.655 177.300 -0.012 0.000 1.205 173 P CA 0.002 63.095 63.100 -0.012 0.000 0.771 173 P CB 0.945 32.654 31.700 0.016 0.000 0.858 174 V N 3.911 123.817 119.914 -0.013 0.000 2.427 174 V HA 0.116 4.242 4.120 0.010 0.000 0.286 174 V C 1.347 177.450 176.094 0.015 0.000 1.034 174 V CA -0.177 62.116 62.300 -0.012 0.000 0.893 174 V CB 1.627 33.432 31.823 -0.029 0.000 0.982 174 V HN 0.479 nan 8.190 nan 0.000 0.452 175 V N 1.457 121.358 119.914 -0.021 0.000 3.565 175 V HA 0.426 4.552 4.120 0.010 0.000 0.260 175 V C 0.482 176.498 176.094 -0.130 0.000 1.231 175 V CA 0.522 62.798 62.300 -0.040 0.000 1.100 175 V CB -0.250 31.533 31.823 -0.066 0.000 0.807 175 V HN 0.747 nan 8.190 nan 0.000 0.454 176 K N 1.118 121.406 120.400 -0.187 0.000 2.523 176 K HA 0.631 4.956 4.320 0.010 0.000 0.257 176 K C -1.456 175.086 176.600 -0.097 0.000 0.932 176 K CA -0.467 55.716 56.287 -0.172 0.000 0.812 176 K CB 2.918 35.162 32.500 -0.427 0.000 1.326 176 K HN 0.205 nan 8.250 nan 0.000 0.433 177 V N -0.180 119.700 119.914 -0.057 0.000 2.628 177 V HA 1.001 5.127 4.120 0.010 0.000 0.306 177 V C -0.839 175.212 176.094 -0.071 0.000 1.045 177 V CA -0.658 61.608 62.300 -0.056 0.000 0.905 177 V CB 1.255 33.056 31.823 -0.036 0.000 0.997 177 V HN 0.874 nan 8.190 nan 0.000 0.436 178 A N 2.768 125.537 122.820 -0.085 0.000 2.515 178 A HA 0.894 5.220 4.320 0.010 0.000 0.298 178 A C -0.456 177.049 177.584 -0.133 0.000 1.059 178 A CA -0.527 51.451 52.037 -0.099 0.000 0.698 178 A CB 2.039 20.974 19.000 -0.108 0.000 1.289 178 A HN 1.012 nan 8.150 nan 0.000 0.404 179 S N 0.079 115.691 115.700 -0.147 0.000 2.500 179 S HA 0.760 5.236 4.470 0.010 0.000 0.301 179 S C 0.539 174.946 174.600 -0.320 0.000 1.092 179 S CA -0.015 58.084 58.200 -0.168 0.000 1.030 179 S CB 1.790 64.984 63.200 -0.010 0.000 1.031 179 S HN 1.299 nan 8.310 nan 0.000 0.483 180 G N 1.574 110.017 108.800 -0.596 0.000 2.606 180 G HA2 0.252 4.218 3.960 0.010 0.000 0.262 180 G HA3 0.252 4.218 3.960 0.010 0.000 0.262 180 G C 0.649 175.466 174.900 -0.138 0.000 1.394 180 G CA -0.391 44.472 45.100 -0.395 0.000 1.044 180 G HN 0.569 nan 8.290 nan 0.000 0.553 181 N N 0.332 118.937 118.700 -0.158 0.000 2.058 181 N HA -0.042 4.704 4.740 0.010 0.000 0.191 181 N C 0.702 176.344 175.510 0.219 0.000 1.037 181 N CA 1.358 54.365 53.050 -0.072 0.000 0.848 181 N CB 0.166 38.480 38.487 -0.288 0.000 1.021 181 N HN 0.435 nan 8.380 nan 0.000 0.422 182 D N -0.561 119.997 120.400 0.263 0.000 2.740 182 D HA 0.057 4.703 4.640 0.010 0.000 0.301 182 D C -0.471 175.824 176.300 -0.008 0.000 1.408 182 D CA -0.110 54.087 54.000 0.327 0.000 0.808 182 D CB 0.397 41.379 40.800 0.303 0.000 1.128 182 D HN 0.465 nan 8.370 nan 0.000 0.465 183 H N -0.952 118.006 119.070 -0.188 0.000 2.980 183 H HA 0.601 5.163 4.556 0.010 0.000 0.367 183 H C -1.778 173.411 175.328 -0.232 0.000 1.206 183 H CA -0.988 54.806 56.048 -0.423 0.000 1.126 183 H CB 2.027 31.639 29.762 -0.249 0.000 1.838 183 H HN -0.068 nan 8.280 nan 0.000 0.552 184 L N 2.486 123.541 121.223 -0.280 0.000 2.385 184 L HA 0.538 4.884 4.340 0.010 0.000 0.273 184 L C -1.017 175.810 176.870 -0.071 0.000 0.990 184 L CA -0.736 54.015 54.840 -0.149 0.000 0.821 184 L CB 1.608 43.648 42.059 -0.031 0.000 1.279 184 L HN 0.655 nan 8.230 nan 0.000 0.412 185 V N 2.749 122.621 119.914 -0.069 0.000 2.555 185 V HA 0.731 4.857 4.120 0.010 0.000 0.302 185 V C -0.536 175.544 176.094 -0.023 0.000 1.038 185 V CA -0.667 61.623 62.300 -0.016 0.000 0.887 185 V CB 1.842 33.652 31.823 -0.020 0.000 0.991 185 V HN 0.853 nan 8.190 nan 0.000 0.434 186 M N 5.577 125.189 119.600 0.020 0.000 2.093 186 M HA 0.484 4.970 4.480 0.010 0.000 0.297 186 M C -1.202 175.127 176.300 0.048 0.000 0.938 186 M CA -0.491 54.818 55.300 0.016 0.000 0.920 186 M CB 1.955 34.568 32.600 0.022 0.000 1.517 186 M HN 0.717 nan 8.290 nan 0.000 0.427 187 L N 4.555 125.766 121.223 -0.020 0.000 2.260 187 L HA 0.472 4.818 4.340 0.010 0.000 0.289 187 L C 0.504 177.384 176.870 0.017 0.000 1.057 187 L CA 0.275 55.113 54.840 -0.004 0.000 0.811 187 L CB 1.020 43.022 42.059 -0.095 0.000 1.184 187 L HN 0.807 nan 8.230 nan 0.000 0.429 188 T N 1.830 116.444 114.554 0.100 0.000 2.788 188 T HA 0.467 4.823 4.350 0.010 0.000 0.287 188 T C 1.335 176.083 174.700 0.080 0.000 1.007 188 T CA -0.131 62.019 62.100 0.083 0.000 1.005 188 T CB 1.048 69.997 68.868 0.135 0.000 1.012 188 T HN 0.719 nan 8.240 nan 0.000 0.530 189 A N 0.573 123.436 122.820 0.070 0.000 1.972 189 A HA -0.047 4.279 4.320 0.010 0.000 0.219 189 A C 1.800 179.450 177.584 0.109 0.000 1.169 189 A CA 1.503 53.591 52.037 0.084 0.000 0.635 189 A CB -0.848 18.192 19.000 0.066 0.000 0.810 189 A HN 0.862 nan 8.150 nan 0.000 0.446 190 D N -1.323 119.145 120.400 0.113 0.000 2.349 190 D HA 0.275 4.921 4.640 0.010 0.000 0.224 190 D C 1.270 177.674 176.300 0.172 0.000 1.029 190 D CA 1.063 55.138 54.000 0.124 0.000 0.879 190 D CB -0.007 40.855 40.800 0.104 0.000 0.906 190 D HN 0.611 nan 8.370 nan 0.000 0.528 191 G N 1.087 109.991 108.800 0.174 0.000 2.132 191 G HA2 -0.213 3.753 3.960 0.010 0.000 0.228 191 G HA3 -0.213 3.753 3.960 0.010 0.000 0.228 191 G C -0.318 174.674 174.900 0.153 0.000 1.000 191 G CA -0.355 44.833 45.100 0.146 0.000 0.693 191 G HN 0.182 nan 8.290 nan 0.000 0.515 192 D N -0.375 120.146 120.400 0.202 0.000 2.264 192 D HA 0.497 5.143 4.640 0.010 0.000 0.249 192 D C 0.145 176.593 176.300 0.247 0.000 1.070 192 D CA -0.205 53.944 54.000 0.249 0.000 0.912 192 D CB 1.823 42.797 40.800 0.291 0.000 1.193 192 D HN 0.160 nan 8.370 nan 0.000 0.427 193 L N 3.456 124.776 121.223 0.162 0.000 2.301 193 L HA 0.260 4.606 4.340 0.010 0.000 0.278 193 L C -1.469 175.374 176.870 -0.044 0.000 1.022 193 L CA -0.537 54.329 54.840 0.043 0.000 0.854 193 L CB 0.127 42.088 42.059 -0.163 0.000 1.226 193 L HN 0.191 nan 8.230 nan 0.000 0.429 194 Y N 2.526 122.822 120.300 -0.007 0.000 2.308 194 Y HA 0.630 5.186 4.550 0.010 0.000 0.329 194 Y C 0.853 176.738 175.900 -0.025 0.000 1.111 194 Y CA -0.277 57.812 58.100 -0.018 0.000 1.179 194 Y CB 1.668 40.119 38.460 -0.016 0.000 1.201 194 Y HN 0.647 nan 8.280 nan 0.000 0.483 195 T N 2.322 116.921 114.554 0.076 0.000 2.900 195 T HA 0.839 5.195 4.350 0.010 0.000 0.295 195 T C -1.171 173.534 174.700 0.008 0.000 1.044 195 T CA -0.870 61.257 62.100 0.045 0.000 0.995 195 T CB 1.561 70.455 68.868 0.044 0.000 1.072 195 T HN 0.571 nan 8.240 nan 0.000 0.473 196 L N -1.037 120.158 121.223 -0.046 0.000 2.622 196 L HA 1.008 5.354 4.340 0.010 0.000 0.258 196 L C 0.100 176.752 176.870 -0.363 0.000 0.996 196 L CA -0.047 54.721 54.840 -0.121 0.000 0.858 196 L CB 1.439 43.471 42.059 -0.046 0.000 1.449 196 L HN 1.471 nan 8.230 nan 0.000 0.411 197 G N -0.844 107.685 108.800 -0.452 0.000 2.255 197 G HA2 -0.007 3.959 3.960 0.010 0.000 0.216 197 G HA3 -0.007 3.959 3.960 0.010 0.000 0.216 197 G C -0.819 173.848 174.900 -0.389 0.000 1.307 197 G CA -0.319 44.234 45.100 -0.911 0.000 1.162 197 G HN 1.263 nan 8.290 nan 0.000 0.494 198 C N 1.755 120.859 119.300 -0.327 0.000 2.632 198 C HA 0.618 5.084 4.460 0.010 0.000 0.415 198 C C 1.728 176.676 174.990 -0.071 0.000 1.332 198 C CA 1.375 60.343 59.018 -0.083 0.000 1.874 198 C CB -0.315 27.441 27.740 0.027 0.000 2.596 198 C HN 1.854 nan 8.230 nan 0.000 0.590 199 G N 3.580 112.370 108.800 -0.016 0.000 3.735 199 G HA2 0.111 4.077 3.960 0.010 0.000 0.283 199 G HA3 0.111 4.077 3.960 0.010 0.000 0.283 199 G C 0.936 175.888 174.900 0.086 0.000 1.007 199 G CA 0.070 45.172 45.100 0.003 0.000 0.821 199 G HN 0.867 nan 8.290 nan 0.000 0.505 200 E N 0.057 120.304 120.200 0.079 0.000 2.204 200 E HA -0.101 4.255 4.350 0.010 0.000 0.195 200 E C 1.614 178.286 176.600 0.120 0.000 0.990 200 E CA 0.857 57.337 56.400 0.133 0.000 0.821 200 E CB 0.289 30.033 29.700 0.074 0.000 0.750 200 E HN 0.260 nan 8.360 nan 0.000 0.477 201 Q N -1.382 118.374 119.800 -0.074 0.000 2.219 201 Q HA 0.171 4.517 4.340 0.010 0.000 0.209 201 Q C 0.816 176.387 176.000 -0.714 0.000 0.854 201 Q CA 0.631 56.258 55.803 -0.293 0.000 0.960 201 Q CB 1.671 30.319 28.738 -0.151 0.000 1.116 201 Q HN 0.382 nan 8.270 nan 0.000 0.500 202 G N 2.029 110.420 108.800 -0.682 0.000 2.157 202 G HA2 -0.317 3.648 3.960 0.010 0.000 0.239 202 G HA3 -0.317 3.648 3.960 0.010 0.000 0.239 202 G C 0.946 175.742 174.900 -0.172 0.000 0.982 202 G CA 0.537 45.261 45.100 -0.627 0.000 0.650 202 G HN 0.416 nan 8.290 nan 0.000 0.527 203 Q N 0.342 120.030 119.800 -0.187 0.000 2.439 203 Q HA 0.041 4.387 4.340 0.010 0.000 0.211 203 Q C 2.288 178.254 176.000 -0.056 0.000 0.978 203 Q CA 1.511 57.172 55.803 -0.236 0.000 0.897 203 Q CB -0.286 28.041 28.738 -0.684 0.000 0.956 203 Q HN 0.639 nan 8.270 nan 0.000 0.483 204 L N -0.124 121.089 121.223 -0.017 0.000 2.375 204 L HA 0.183 4.529 4.340 0.010 0.000 0.215 204 L C 1.389 178.178 176.870 -0.135 0.000 1.108 204 L CA 0.474 55.319 54.840 0.008 0.000 0.830 204 L CB -0.414 41.618 42.059 -0.044 0.000 0.959 204 L HN 0.436 nan 8.230 nan 0.000 0.457 205 G N 1.970 110.619 108.800 -0.251 0.000 2.179 205 G HA2 -0.330 3.636 3.960 0.010 0.000 0.257 205 G HA3 -0.330 3.636 3.960 0.010 0.000 0.257 205 G C 0.772 175.401 174.900 -0.452 0.000 1.010 205 G CA 0.846 45.498 45.100 -0.747 0.000 0.736 205 G HN 0.651 nan 8.290 nan 0.000 0.513 206 R N -2.299 118.075 120.500 -0.209 0.000 2.468 206 R HA 0.443 4.789 4.340 0.010 0.000 0.352 206 R C -0.405 175.863 176.300 -0.053 0.000 0.858 206 R CA -0.092 55.918 56.100 -0.149 0.000 1.108 206 R CB 0.309 30.505 30.300 -0.174 0.000 1.741 206 R HN 0.394 nan 8.270 nan 0.000 0.504 207 V N 2.645 122.570 119.914 0.018 0.000 2.407 207 V HA 0.443 4.569 4.120 0.010 0.000 0.291 207 V C -2.351 173.823 176.094 0.133 0.000 1.018 207 V CA -2.309 60.039 62.300 0.080 0.000 0.842 207 V CB 1.840 33.726 31.823 0.105 0.000 0.996 207 V HN 0.016 nan 8.190 nan 0.000 0.426 208 P HA 0.032 nan 4.420 nan 0.000 0.267 208 P C 0.331 177.497 177.300 -0.223 0.000 1.200 208 P CA -0.091 62.995 63.100 -0.023 0.000 0.772 208 P CB 0.557 32.288 31.700 0.053 0.000 0.855 209 E N 1.717 121.519 120.200 -0.664 0.000 3.079 209 E HA -0.001 4.355 4.350 0.010 0.000 0.267 209 E C -0.285 176.008 176.600 -0.513 0.000 1.509 209 E CA 0.124 56.001 56.400 -0.872 0.000 1.630 209 E CB -0.895 28.081 29.700 -1.206 0.000 1.373 209 E HN 0.174 nan 8.360 nan 0.000 0.439 210 L N 0.648 121.585 121.223 -0.477 0.000 2.980 210 L HA 0.284 4.630 4.340 0.010 0.000 0.314 210 L C -1.254 175.181 176.870 -0.725 0.000 1.303 210 L CA 0.038 54.491 54.840 -0.646 0.000 0.785 210 L CB 0.501 42.065 42.059 -0.824 0.000 1.190 210 L HN 0.174 nan 8.230 nan 0.000 0.567 211 F N -0.994 118.887 119.950 -0.114 0.000 3.333 211 F HA 0.211 4.743 4.527 0.010 0.000 0.310 211 F C 1.136 176.913 175.800 -0.039 0.000 1.154 211 F CA 0.098 58.059 58.000 -0.065 0.000 0.680 211 F CB -1.275 37.691 39.000 -0.057 0.000 1.870 211 F HN 0.098 nan 8.300 nan 0.000 0.449 212 A N -0.603 122.262 122.820 0.076 0.000 2.195 212 A HA 0.166 4.492 4.320 0.010 0.000 0.210 212 A C 1.119 178.764 177.584 0.101 0.000 1.165 212 A CA 0.597 52.706 52.037 0.121 0.000 0.806 212 A CB -0.221 18.899 19.000 0.201 0.000 0.847 212 A HN 0.154 nan 8.150 nan 0.000 0.482 213 N N 1.175 119.917 118.700 0.070 0.000 2.807 213 N HA 0.137 4.883 4.740 0.010 0.000 0.259 213 N C -0.000 175.552 175.510 0.070 0.000 1.149 213 N CA -0.087 52.999 53.050 0.061 0.000 1.042 213 N CB -0.848 37.660 38.487 0.035 0.000 1.367 213 N HN 0.322 nan 8.380 nan 0.000 0.516 214 R N 1.637 122.179 120.500 0.070 0.000 3.770 214 R HA -0.193 4.153 4.340 0.010 0.000 0.305 214 R C 0.850 177.188 176.300 0.064 0.000 1.184 214 R CA 0.651 56.789 56.100 0.062 0.000 0.823 214 R CB -2.106 28.227 30.300 0.056 0.000 1.285 214 R HN 0.736 nan 8.270 nan 0.000 0.499 215 G N -1.539 107.312 108.800 0.085 0.000 2.184 215 G HA2 -0.236 3.729 3.960 0.010 0.000 0.264 215 G HA3 -0.236 3.729 3.960 0.010 0.000 0.264 215 G C 0.973 175.969 174.900 0.161 0.000 0.975 215 G CA 0.784 45.940 45.100 0.093 0.000 0.642 215 G HN 1.365 nan 8.290 nan 0.000 0.536 216 G N 0.583 109.483 108.800 0.167 0.000 2.591 216 G HA2 -0.325 3.641 3.960 0.010 0.000 0.298 216 G HA3 -0.325 3.641 3.960 0.010 0.000 0.298 216 G C 1.318 176.299 174.900 0.135 0.000 1.195 216 G CA 2.438 47.657 45.100 0.199 0.000 0.989 216 G HN 1.758 nan 8.290 nan 0.000 0.551 217 R N 1.113 121.711 120.500 0.163 0.000 2.148 217 R HA 0.034 4.380 4.340 0.010 0.000 0.223 217 R C 2.215 178.511 176.300 -0.007 0.000 1.088 217 R CA 2.034 58.177 56.100 0.072 0.000 0.985 217 R CB -0.357 29.999 30.300 0.094 0.000 0.880 217 R HN 0.710 nan 8.270 nan 0.000 0.451 218 Q N 0.763 120.519 119.800 -0.073 0.000 2.451 218 Q HA 0.149 4.495 4.340 0.010 0.000 0.206 218 Q C 0.583 176.543 176.000 -0.067 0.000 0.947 218 Q CA 0.307 56.031 55.803 -0.131 0.000 0.937 218 Q CB 0.482 29.051 28.738 -0.281 0.000 1.025 218 Q HN 0.573 nan 8.270 nan 0.000 0.511 219 G N 0.989 109.776 108.800 -0.021 0.000 2.894 219 G HA2 -0.290 3.676 3.960 0.010 0.000 0.247 219 G HA3 -0.290 3.676 3.960 0.010 0.000 0.247 219 G C 0.260 175.158 174.900 -0.003 0.000 1.442 219 G CA -0.514 44.586 45.100 -0.000 0.000 0.897 219 G HN 0.173 nan 8.290 nan 0.000 0.550 220 L N 0.728 121.958 121.223 0.013 0.000 2.351 220 L HA -0.048 4.298 4.340 0.010 0.000 0.220 220 L C 2.726 179.601 176.870 0.009 0.000 1.127 220 L CA 2.382 57.234 54.840 0.020 0.000 0.786 220 L CB -1.262 40.820 42.059 0.037 0.000 0.914 220 L HN 0.784 nan 8.230 nan 0.000 0.443 221 E N -0.754 119.443 120.200 -0.005 0.000 2.268 221 E HA -0.219 4.137 4.350 0.010 0.000 0.195 221 E C 1.979 178.565 176.600 -0.023 0.000 0.995 221 E CA 0.327 56.721 56.400 -0.010 0.000 0.836 221 E CB 0.015 29.705 29.700 -0.017 0.000 0.763 221 E HN 0.219 nan 8.360 nan 0.000 0.491 222 R N 0.779 121.256 120.500 -0.038 0.000 2.280 222 R HA -0.012 4.334 4.340 0.010 0.000 0.207 222 R C 1.594 177.876 176.300 -0.030 0.000 1.043 222 R CA 0.720 56.789 56.100 -0.051 0.000 1.006 222 R CB 0.056 30.303 30.300 -0.087 0.000 0.885 222 R HN 0.158 nan 8.270 nan 0.000 0.467 223 L N -1.441 119.773 121.223 -0.016 0.000 2.577 223 L HA 0.187 4.533 4.340 0.010 0.000 0.225 223 L C 1.495 178.348 176.870 -0.029 0.000 1.053 223 L CA 0.187 55.014 54.840 -0.022 0.000 0.866 223 L CB 0.017 42.068 42.059 -0.014 0.000 1.132 223 L HN 0.085 nan 8.230 nan 0.000 0.486 224 L N -0.581 120.642 121.223 -0.001 0.000 2.463 224 L HA 0.147 4.493 4.340 0.010 0.000 0.219 224 L C 0.662 177.548 176.870 0.027 0.000 1.088 224 L CA -0.066 54.789 54.840 0.025 0.000 0.849 224 L CB 0.378 42.477 42.059 0.067 0.000 1.012 224 L HN -0.077 nan 8.230 nan 0.000 0.468 225 V N 2.030 121.954 119.914 0.016 0.000 2.470 225 V HA 0.127 4.253 4.120 0.010 0.000 0.276 225 V C -2.006 174.111 176.094 0.038 0.000 1.040 225 V CA -1.324 60.988 62.300 0.020 0.000 1.008 225 V CB 0.433 32.262 31.823 0.010 0.000 0.990 225 V HN 0.003 nan 8.190 nan 0.000 0.477 226 P HA 0.096 nan 4.420 nan 0.000 0.258 226 P C -0.497 176.940 177.300 0.227 0.000 1.187 226 P CA 0.578 63.761 63.100 0.138 0.000 0.767 226 P CB 0.196 31.949 31.700 0.088 0.000 0.770 227 K N 2.035 122.534 120.400 0.165 0.000 2.482 227 K HA 0.562 4.888 4.320 0.010 0.000 0.257 227 K C -0.568 175.862 176.600 -0.284 0.000 0.969 227 K CA -0.902 55.391 56.287 0.010 0.000 0.842 227 K CB 1.880 34.352 32.500 -0.048 0.000 1.359 227 K HN 0.469 nan 8.250 nan 0.000 0.441 228 C N -0.625 118.322 119.300 -0.588 0.000 2.358 228 C HA 0.539 5.005 4.460 0.010 0.000 0.342 228 C C 0.586 175.348 174.990 -0.379 0.000 1.234 228 C CA -0.809 57.758 59.018 -0.752 0.000 1.969 228 C CB 0.202 27.311 27.740 -1.051 0.000 2.346 228 C HN 0.516 nan 8.230 nan 0.000 0.525 229 V N 5.859 125.606 119.914 -0.279 0.000 2.485 229 V HA 0.170 4.296 4.120 0.010 0.000 0.287 229 V C 0.520 176.546 176.094 -0.114 0.000 1.022 229 V CA 0.829 62.999 62.300 -0.217 0.000 1.067 229 V CB 0.234 31.906 31.823 -0.253 0.000 0.967 229 V HN 0.866 nan 8.190 nan 0.000 0.479 230 M N 7.287 126.794 119.600 -0.156 0.000 2.023 230 M HA 0.482 4.967 4.480 0.010 0.000 0.325 230 M C -0.896 175.362 176.300 -0.070 0.000 0.963 230 M CA -0.103 55.110 55.300 -0.144 0.000 0.928 230 M CB 1.078 33.538 32.600 -0.233 0.000 1.429 230 M HN 0.410 nan 8.290 nan 0.000 0.404 231 L N 3.283 124.504 121.223 -0.004 0.000 2.305 231 L HA 0.457 4.803 4.340 0.010 0.000 0.284 231 L C 0.713 177.589 176.870 0.010 0.000 1.013 231 L CA -0.885 53.941 54.840 -0.022 0.000 0.819 231 L CB 1.533 43.542 42.059 -0.083 0.000 1.227 231 L HN 0.457 nan 8.230 nan 0.000 0.417 232 K N 2.986 123.395 120.400 0.014 0.000 2.351 232 K HA 0.046 4.372 4.320 0.010 0.000 0.287 232 K C 0.186 176.803 176.600 0.028 0.000 1.068 232 K CA 0.241 56.545 56.287 0.028 0.000 0.998 232 K CB 0.666 33.178 32.500 0.020 0.000 0.968 232 K HN 0.634 nan 8.250 nan 0.000 0.464 233 S N 4.778 120.491 115.700 0.021 0.000 2.599 233 S HA -0.060 4.415 4.470 0.010 0.000 0.303 233 S C 0.714 175.338 174.600 0.039 0.000 1.267 233 S CA -0.070 58.138 58.200 0.013 0.000 1.055 233 S CB 0.320 63.517 63.200 -0.005 0.000 0.790 233 S HN 0.468 nan 8.310 nan 0.000 0.500 234 R N 2.760 123.298 120.500 0.063 0.000 3.271 234 R HA 0.113 4.459 4.340 0.010 0.000 0.245 234 R C 1.577 177.907 176.300 0.050 0.000 1.112 234 R CA 0.730 56.868 56.100 0.064 0.000 1.102 234 R CB -1.244 29.106 30.300 0.082 0.000 0.928 234 R HN 1.139 nan 8.270 nan 0.000 0.497 235 G N 1.416 110.244 108.800 0.048 0.000 2.158 235 G HA2 -0.296 3.670 3.960 0.010 0.000 0.257 235 G HA3 -0.296 3.670 3.960 0.010 0.000 0.257 235 G C -0.137 174.781 174.900 0.030 0.000 0.811 235 G CA 1.018 46.140 45.100 0.038 0.000 1.178 235 G HN 0.490 nan 8.290 nan 0.000 0.389 236 S N -0.365 115.351 115.700 0.027 0.000 3.508 236 S HA -0.162 4.313 4.470 0.010 0.000 0.199 236 S C 1.251 175.863 174.600 0.020 0.000 0.403 236 S CA 1.479 59.693 58.200 0.023 0.000 1.618 236 S CB -0.052 63.159 63.200 0.019 0.000 1.080 236 S HN 0.947 nan 8.310 nan 0.000 0.367 237 R N 0.929 121.440 120.500 0.019 0.000 2.722 237 R HA 0.617 4.963 4.340 0.010 0.000 0.210 237 R C 1.730 178.040 176.300 0.016 0.000 1.453 237 R CA 0.182 56.289 56.100 0.012 0.000 0.964 237 R CB -0.264 30.038 30.300 0.004 0.000 2.311 237 R HN 0.444 nan 8.270 nan 0.000 0.517 238 G N -0.894 107.913 108.800 0.011 0.000 2.948 238 G HA2 -0.002 3.964 3.960 0.010 0.000 0.174 238 G HA3 -0.002 3.964 3.960 0.010 0.000 0.174 238 G C -0.603 174.344 174.900 0.078 0.000 1.839 238 G CA 0.589 45.712 45.100 0.039 0.000 0.908 238 G HN 0.725 nan 8.290 nan 0.000 0.419 239 H N -2.199 116.845 119.070 -0.043 0.000 2.679 239 H HA 0.668 5.230 4.556 0.010 0.000 0.367 239 H C -0.775 174.482 175.328 -0.118 0.000 1.162 239 H CA -1.152 54.853 56.048 -0.073 0.000 1.181 239 H CB 1.676 31.396 29.762 -0.070 0.000 1.693 239 H HN 0.243 nan 8.280 nan 0.000 0.538 240 V N 3.121 122.915 119.914 -0.200 0.000 2.637 240 V HA 0.201 4.327 4.120 0.010 0.000 0.296 240 V C 0.523 176.199 176.094 -0.696 0.000 1.046 240 V CA -0.001 62.044 62.300 -0.426 0.000 1.066 240 V CB 0.361 31.885 31.823 -0.498 0.000 0.968 240 V HN 0.776 nan 8.190 nan 0.000 0.483 241 R N 2.981 123.070 120.500 -0.685 0.000 2.778 241 R HA 0.682 5.027 4.340 0.010 0.000 0.277 241 R C -1.512 174.189 176.300 -1.000 0.000 0.977 241 R CA -0.566 55.136 56.100 -0.663 0.000 0.950 241 R CB 2.029 32.201 30.300 -0.214 0.000 1.165 241 R HN 0.532 nan 8.270 nan 0.000 0.474 242 F N 0.471 120.116 119.950 -0.508 0.000 2.522 242 F HA 0.211 4.744 4.527 0.009 0.000 0.324 242 F C 1.306 176.829 175.800 -0.460 0.000 1.077 242 F CA -0.663 57.087 58.000 -0.417 0.000 0.944 242 F CB 2.015 40.921 39.000 -0.157 0.000 1.175 242 F HN 0.516 nan 8.300 nan 0.000 0.468 243 Q N -0.522 119.250 119.800 -0.046 0.000 2.384 243 Q HA 0.256 4.601 4.340 0.010 0.000 0.207 243 Q C -0.686 175.420 176.000 0.175 0.000 0.904 243 Q CA 0.349 56.223 55.803 0.120 0.000 0.933 243 Q CB 1.015 29.883 28.738 0.216 0.000 1.077 243 Q HN 0.561 nan 8.270 nan 0.000 0.522 244 D N -0.710 119.773 120.400 0.138 0.000 2.653 244 D HA 0.661 5.307 4.640 0.010 0.000 0.258 244 D C -1.926 174.291 176.300 -0.138 0.000 1.252 244 D CA -0.258 53.746 54.000 0.006 0.000 0.777 244 D CB 2.324 43.174 40.800 0.083 0.000 1.339 244 D HN 0.151 nan 8.370 nan 0.000 0.422 245 A N 0.924 123.455 122.820 -0.481 0.000 2.566 245 A HA 0.726 5.052 4.320 0.010 0.000 0.297 245 A C -1.857 175.321 177.584 -0.676 0.000 1.059 245 A CA -0.586 51.202 52.037 -0.414 0.000 0.691 245 A CB 0.807 19.648 19.000 -0.266 0.000 1.282 245 A HN 0.278 nan 8.150 nan 0.000 0.401 246 F N -0.278 119.655 119.950 -0.029 0.000 2.626 246 F HA 0.711 5.243 4.527 0.008 0.000 0.311 246 F C 0.051 175.827 175.800 -0.039 0.000 1.088 246 F CA -0.759 57.249 58.000 0.014 0.000 0.949 246 F CB 1.986 41.064 39.000 0.130 0.000 1.322 246 F HN 0.658 nan 8.300 nan 0.000 0.461 247 C N 0.562 119.937 119.300 0.124 0.000 2.614 247 C HA 0.901 5.367 4.460 0.010 0.000 0.320 247 C C 0.657 175.550 174.990 -0.161 0.000 1.200 247 C CA -0.700 58.278 59.018 -0.067 0.000 1.700 247 C CB 1.207 28.815 27.740 -0.220 0.000 2.275 247 C HN 1.051 nan 8.230 nan 0.000 0.492 248 G N 0.381 108.853 108.800 -0.547 0.000 2.795 248 G HA2 0.553 4.519 3.960 0.010 0.000 0.267 248 G HA3 0.553 4.519 3.960 0.010 0.000 0.267 248 G C 0.869 175.212 174.900 -0.928 0.000 1.362 248 G CA 0.297 44.786 45.100 -1.018 0.000 1.048 248 G HN 0.991 nan 8.290 nan 0.000 0.547 249 A N -1.280 121.011 122.820 -0.883 0.000 1.877 249 A HA 0.048 4.373 4.320 0.010 0.000 0.216 249 A C 1.257 178.356 177.584 -0.809 0.000 1.186 249 A CA 1.528 53.120 52.037 -0.743 0.000 0.620 249 A CB -0.470 18.107 19.000 -0.706 0.000 0.822 249 A HN 0.597 nan 8.150 nan 0.000 0.443 250 Y N -1.567 118.614 120.300 -0.197 0.000 2.721 250 Y HA 0.444 5.000 4.550 0.011 0.000 0.251 250 Y C -0.510 175.393 175.900 0.005 0.000 1.136 250 Y CA -1.377 56.715 58.100 -0.014 0.000 1.142 250 Y CB 0.208 38.740 38.460 0.120 0.000 1.212 250 Y HN 0.337 nan 8.280 nan 0.000 0.565 251 F N -3.035 116.846 119.950 -0.115 0.000 2.686 251 F HA 0.866 5.399 4.527 0.010 0.000 0.311 251 F C -0.740 174.822 175.800 -0.396 0.000 1.128 251 F CA -1.627 56.177 58.000 -0.327 0.000 0.946 251 F CB 1.247 40.038 39.000 -0.349 0.000 1.336 251 F HN -0.326 nan 8.300 nan 0.000 0.457 252 T N 1.313 115.507 114.554 -0.601 0.000 2.912 252 T HA 0.669 5.025 4.350 0.010 0.000 0.299 252 T C -1.649 172.403 174.700 -1.080 0.000 1.052 252 T CA -0.478 61.163 62.100 -0.764 0.000 0.996 252 T CB 1.490 69.788 68.868 -0.949 0.000 1.070 252 T HN 0.453 nan 8.240 nan 0.000 0.465 253 F N 1.482 121.140 119.950 -0.487 0.000 2.495 253 F HA 0.750 5.283 4.527 0.011 0.000 0.327 253 F C 0.279 175.862 175.800 -0.361 0.000 1.103 253 F CA -0.820 56.861 58.000 -0.532 0.000 0.949 253 F CB 1.776 40.258 39.000 -0.864 0.000 1.142 253 F HN 0.705 nan 8.300 nan 0.000 0.457 254 A N 4.394 127.169 122.820 -0.076 0.000 2.381 254 A HA 0.795 5.121 4.320 0.010 0.000 0.299 254 A C -1.056 176.682 177.584 0.257 0.000 1.049 254 A CA -0.559 51.438 52.037 -0.066 0.000 0.715 254 A CB 0.760 19.449 19.000 -0.518 0.000 1.222 254 A HN 0.711 nan 8.150 nan 0.000 0.428 255 I N 2.991 123.754 120.570 0.322 0.000 2.321 255 I HA 0.274 4.449 4.170 0.010 0.000 0.291 255 I C 1.030 177.428 176.117 0.470 0.000 0.998 255 I CA -0.327 61.220 61.300 0.412 0.000 1.227 255 I CB 1.679 39.894 38.000 0.359 0.000 1.368 255 I HN 0.762 nan 8.210 nan 0.000 0.466 256 S N 3.308 119.276 115.700 0.446 0.000 2.608 256 S HA 0.130 4.606 4.470 0.010 0.000 0.261 256 S C 1.008 175.637 174.600 0.047 0.000 1.314 256 S CA -0.207 58.056 58.200 0.105 0.000 0.992 256 S CB 0.498 63.782 63.200 0.140 0.000 0.935 256 S HN 0.656 nan 8.310 nan 0.000 0.564 257 H N 0.603 119.664 119.070 -0.015 0.000 2.489 257 H HA -0.031 4.531 4.556 0.009 0.000 0.293 257 H C 1.256 176.573 175.328 -0.017 0.000 1.066 257 H CA 1.358 57.403 56.048 -0.005 0.000 1.305 257 H CB 0.138 29.873 29.762 -0.045 0.000 1.386 257 H HN 0.622 nan 8.280 nan 0.000 0.551 258 E N -0.067 120.164 120.200 0.052 0.000 2.494 258 E HA 0.051 4.407 4.350 0.010 0.000 0.193 258 E C 1.586 178.082 176.600 -0.174 0.000 1.074 258 E CA 0.636 56.975 56.400 -0.102 0.000 0.867 258 E CB -0.102 29.466 29.700 -0.219 0.000 0.924 258 E HN 0.584 nan 8.360 nan 0.000 0.502 259 G N 1.724 110.522 108.800 -0.004 0.000 2.166 259 G HA2 -0.331 3.635 3.960 0.010 0.000 0.260 259 G HA3 -0.331 3.635 3.960 0.010 0.000 0.260 259 G C -0.108 174.864 174.900 0.120 0.000 0.986 259 G CA 0.657 45.800 45.100 0.070 0.000 0.683 259 G HN 0.527 nan 8.290 nan 0.000 0.527 260 H N -0.899 118.302 119.070 0.220 0.000 2.732 260 H HA 0.416 4.978 4.556 0.010 0.000 0.351 260 H C 0.390 175.826 175.328 0.181 0.000 1.090 260 H CA -0.409 55.732 56.048 0.155 0.000 1.431 260 H CB 1.340 31.145 29.762 0.072 0.000 1.447 260 H HN 0.107 nan 8.280 nan 0.000 0.582 261 V N 4.712 124.742 119.914 0.193 0.000 2.406 261 V HA 0.085 4.211 4.120 0.010 0.000 0.272 261 V C -0.524 175.534 176.094 -0.060 0.000 1.043 261 V CA -0.307 62.031 62.300 0.064 0.000 0.915 261 V CB -0.249 31.465 31.823 -0.182 0.000 0.988 261 V HN 0.592 nan 8.190 nan 0.000 0.466 262 Y N 2.288 122.661 120.300 0.122 0.000 2.457 262 Y HA 0.779 5.335 4.550 0.009 0.000 0.333 262 Y C 0.726 176.639 175.900 0.021 0.000 1.119 262 Y CA -0.475 57.714 58.100 0.149 0.000 1.143 262 Y CB 2.253 40.895 38.460 0.303 0.000 1.230 262 Y HN 0.700 nan 8.280 nan 0.000 0.469 263 G N 1.780 110.674 108.800 0.156 0.000 2.638 263 G HA2 0.656 4.622 3.960 0.010 0.000 0.302 263 G HA3 0.656 4.622 3.960 0.010 0.000 0.302 263 G C -1.956 172.955 174.900 0.018 0.000 1.365 263 G CA -0.737 44.252 45.100 -0.184 0.000 0.987 263 G HN 0.465 nan 8.290 nan 0.000 0.495 264 F N -0.092 119.720 119.950 -0.231 0.000 2.619 264 F HA 0.919 5.452 4.527 0.010 0.000 0.308 264 F C 0.423 176.088 175.800 -0.226 0.000 1.097 264 F CA -0.852 57.034 58.000 -0.190 0.000 0.953 264 F CB 1.634 40.547 39.000 -0.144 0.000 1.287 264 F HN 1.474 nan 8.300 nan 0.000 0.446 265 G N 0.858 109.606 108.800 -0.087 0.000 2.352 265 G HA2 0.231 4.196 3.960 0.010 0.000 0.324 265 G HA3 0.231 4.196 3.960 0.010 0.000 0.324 265 G C -1.991 172.813 174.900 -0.160 0.000 1.249 265 G CA -0.797 44.210 45.100 -0.155 0.000 1.053 265 G HN 1.144 nan 8.290 nan 0.000 0.492 266 L N 0.839 122.038 121.223 -0.040 0.000 2.513 266 L HA 0.598 4.944 4.340 0.010 0.000 0.272 266 L C 1.153 177.930 176.870 -0.156 0.000 1.187 266 L CA 1.531 56.347 54.840 -0.040 0.000 0.895 266 L CB 1.300 43.449 42.059 0.151 0.000 1.147 266 L HN 1.044 nan 8.230 nan 0.000 0.483 267 S N 3.130 118.734 115.700 -0.161 0.000 2.665 267 S HA 0.193 4.669 4.470 0.010 0.000 0.235 267 S C 0.886 175.362 174.600 -0.207 0.000 1.084 267 S CA -0.240 57.846 58.200 -0.190 0.000 1.151 267 S CB -0.529 62.570 63.200 -0.168 0.000 1.151 267 S HN 0.885 nan 8.310 nan 0.000 0.461 268 N N 0.734 119.331 118.700 -0.172 0.000 2.459 268 N HA -0.053 4.693 4.740 0.010 0.000 0.181 268 N C 0.241 175.427 175.510 -0.541 0.000 1.046 268 N CA 0.941 53.788 53.050 -0.338 0.000 0.904 268 N CB -0.419 37.875 38.487 -0.321 0.000 0.964 268 N HN 0.588 nan 8.380 nan 0.000 0.444 269 Y N -0.740 119.461 120.300 -0.165 0.000 2.720 269 Y HA 0.260 4.816 4.550 0.010 0.000 0.268 269 Y C -0.250 175.679 175.900 0.048 0.000 1.142 269 Y CA -0.704 57.352 58.100 -0.073 0.000 1.193 269 Y CB -0.521 37.938 38.460 -0.001 0.000 1.176 269 Y HN 0.065 nan 8.280 nan 0.000 0.542 270 H N -1.191 117.908 119.070 0.049 0.000 2.992 270 H HA -0.243 4.319 4.556 0.010 0.000 0.266 270 H C 1.726 177.067 175.328 0.022 0.000 1.200 270 H CA 0.805 56.867 56.048 0.023 0.000 1.135 270 H CB -1.096 28.688 29.762 0.037 0.000 1.282 270 H HN 0.522 nan 8.280 nan 0.000 0.351 271 Q N 0.819 120.645 119.800 0.045 0.000 2.364 271 Q HA -0.082 4.264 4.340 0.010 0.000 0.209 271 Q C 1.721 177.685 176.000 -0.060 0.000 0.977 271 Q CA 1.529 57.301 55.803 -0.052 0.000 0.885 271 Q CB -0.021 28.556 28.738 -0.268 0.000 0.941 271 Q HN 0.703 nan 8.270 nan 0.000 0.464 272 L N 0.098 121.266 121.223 -0.091 0.000 2.509 272 L HA 0.157 4.503 4.340 0.010 0.000 0.222 272 L C 0.847 177.909 176.870 0.319 0.000 1.123 272 L CA 0.548 55.405 54.840 0.029 0.000 0.856 272 L CB -0.116 41.845 42.059 -0.164 0.000 0.985 272 L HN 0.512 nan 8.230 nan 0.000 0.456 273 G N 1.128 110.074 108.800 0.243 0.000 2.203 273 G HA2 -0.235 3.731 3.960 0.010 0.000 0.231 273 G HA3 -0.235 3.731 3.960 0.010 0.000 0.231 273 G C 0.199 175.190 174.900 0.151 0.000 1.058 273 G CA 0.287 45.514 45.100 0.211 0.000 0.781 273 G HN 0.363 nan 8.290 nan 0.000 0.496 274 T N -3.127 111.511 114.554 0.139 0.000 2.912 274 T HA 0.743 5.099 4.350 0.010 0.000 0.288 274 T C -1.135 173.670 174.700 0.176 0.000 1.030 274 T CA -1.350 60.819 62.100 0.115 0.000 1.020 274 T CB 3.008 71.919 68.868 0.072 0.000 1.056 274 T HN -0.119 nan 8.240 nan 0.000 0.480 275 P HA 0.119 nan 4.420 nan 0.000 0.216 275 P C 0.941 178.385 177.300 0.240 0.000 1.153 275 P CA 0.832 64.019 63.100 0.144 0.000 0.848 275 P CB -0.236 31.504 31.700 0.067 0.000 0.787 276 G N -1.382 107.492 108.800 0.123 0.000 2.522 276 G HA2 0.378 4.344 3.960 0.010 0.000 0.304 276 G HA3 0.378 4.344 3.960 0.010 0.000 0.304 276 G C 0.244 175.049 174.900 -0.158 0.000 1.210 276 G CA -0.059 45.059 45.100 0.031 0.000 0.960 276 G HN 0.099 nan 8.290 nan 0.000 0.497 277 T N -1.738 112.668 114.554 -0.247 0.000 3.214 277 T HA 0.290 4.646 4.350 0.010 0.000 0.264 277 T C -0.104 174.467 174.700 -0.215 0.000 1.012 277 T CA -0.326 61.551 62.100 -0.370 0.000 0.901 277 T CB 0.217 68.828 68.868 -0.429 0.000 1.070 277 T HN 0.288 nan 8.240 nan 0.000 0.561 278 E N 1.907 122.030 120.200 -0.128 0.000 2.197 278 E HA 0.411 4.767 4.350 0.010 0.000 0.281 278 E C -0.173 176.389 176.600 -0.063 0.000 0.995 278 E CA -0.369 55.991 56.400 -0.066 0.000 0.808 278 E CB 1.586 31.277 29.700 -0.014 0.000 1.093 278 E HN 0.242 nan 8.360 nan 0.000 0.394 279 S N 1.342 117.005 115.700 -0.062 0.000 2.558 279 S HA -0.014 4.462 4.470 0.010 0.000 0.291 279 S C 0.027 174.535 174.600 -0.152 0.000 1.306 279 S CA -0.190 57.911 58.200 -0.166 0.000 1.056 279 S CB 0.093 63.129 63.200 -0.273 0.000 0.836 279 S HN 0.468 nan 8.310 nan 0.000 0.504 280 C N 4.395 123.568 119.300 -0.212 0.000 2.223 280 C HA 0.377 4.843 4.460 0.010 0.000 0.324 280 C C 1.082 175.970 174.990 -0.170 0.000 1.196 280 C CA -0.644 58.322 59.018 -0.087 0.000 1.628 280 C CB -1.610 26.117 27.740 -0.022 0.000 2.229 280 C HN 0.929 nan 8.230 nan 0.000 0.486 281 F N 1.590 121.549 119.950 0.015 0.000 2.569 281 F HA 0.239 4.772 4.527 0.010 0.000 0.295 281 F C 1.181 176.963 175.800 -0.030 0.000 1.115 281 F CA 0.568 58.566 58.000 -0.003 0.000 1.450 281 F CB 0.098 39.088 39.000 -0.018 0.000 1.107 281 F HN 0.368 nan 8.300 nan 0.000 0.563 282 I N 1.094 121.746 120.570 0.137 0.000 2.377 282 I HA 0.295 4.471 4.170 0.010 0.000 0.293 282 I C -2.436 173.718 176.117 0.061 0.000 0.987 282 I CA -2.929 58.401 61.300 0.049 0.000 1.185 282 I CB 0.880 38.918 38.000 0.063 0.000 1.341 282 I HN -0.336 nan 8.210 nan 0.000 0.455 283 P HA 0.018 nan 4.420 nan 0.000 0.262 283 P C -0.630 176.841 177.300 0.285 0.000 1.182 283 P CA 0.153 63.366 63.100 0.188 0.000 0.761 283 P CB 0.439 32.170 31.700 0.052 0.000 0.795 284 Q N 2.325 122.309 119.800 0.307 0.000 2.274 284 Q HA 0.277 4.623 4.340 0.010 0.000 0.260 284 Q C -0.149 175.932 176.000 0.136 0.000 0.974 284 Q CA -0.654 55.270 55.803 0.200 0.000 0.876 284 Q CB 1.315 30.120 28.738 0.112 0.000 1.297 284 Q HN 0.300 nan 8.270 nan 0.000 0.446 285 N N 2.627 121.305 118.700 -0.036 0.000 2.401 285 N HA 0.139 4.885 4.740 0.010 0.000 0.255 285 N C -0.893 174.518 175.510 -0.164 0.000 1.110 285 N CA -0.047 52.752 53.050 -0.418 0.000 0.949 285 N CB 0.361 38.584 38.487 -0.440 0.000 1.110 285 N HN 0.464 nan 8.380 nan 0.000 0.490 286 L N 3.770 124.937 121.223 -0.095 0.000 2.385 286 L HA 0.108 4.454 4.340 0.010 0.000 0.285 286 L C 1.926 178.875 176.870 0.132 0.000 1.125 286 L CA -0.360 54.540 54.840 0.100 0.000 0.890 286 L CB 0.010 42.228 42.059 0.266 0.000 1.251 286 L HN 0.600 nan 8.230 nan 0.000 0.445 287 T N -2.968 111.624 114.554 0.063 0.000 2.881 287 T HA -0.187 4.169 4.350 0.010 0.000 0.270 287 T C 1.938 176.680 174.700 0.069 0.000 1.068 287 T CA 1.203 63.336 62.100 0.054 0.000 1.131 287 T CB -0.188 68.691 68.868 0.019 0.000 0.871 287 T HN 0.655 nan 8.240 nan 0.000 0.479 288 S N 1.020 116.743 115.700 0.039 0.000 2.440 288 S HA -0.043 4.433 4.470 0.010 0.000 0.238 288 S C 1.396 175.864 174.600 -0.220 0.000 1.010 288 S CA 0.607 58.744 58.200 -0.105 0.000 0.972 288 S CB -1.006 62.076 63.200 -0.197 0.000 0.774 288 S HN 0.560 nan 8.310 nan 0.000 0.501 289 F N 1.399 121.346 119.950 -0.005 0.000 2.765 289 F HA 0.381 4.914 4.527 0.009 0.000 0.302 289 F C 1.008 177.019 175.800 0.353 0.000 1.111 289 F CA -0.317 57.711 58.000 0.047 0.000 1.359 289 F CB 0.020 38.842 39.000 -0.297 0.000 1.097 289 F HN -0.044 nan 8.300 nan 0.000 0.577 290 K N 2.326 122.926 120.400 0.334 0.000 2.363 290 K HA 0.060 4.386 4.320 0.010 0.000 0.289 290 K C -0.259 176.473 176.600 0.219 0.000 1.063 290 K CA 0.148 56.603 56.287 0.280 0.000 0.967 290 K CB -0.022 32.582 32.500 0.174 0.000 0.987 290 K HN 0.020 nan 8.250 nan 0.000 0.473 291 N N 1.095 119.919 118.700 0.205 0.000 2.406 291 N HA 0.065 4.811 4.740 0.010 0.000 0.283 291 N C -0.076 175.451 175.510 0.028 0.000 1.074 291 N CA -0.282 52.821 53.050 0.089 0.000 0.916 291 N CB 1.904 40.421 38.487 0.050 0.000 1.639 291 N HN 0.216 nan 8.380 nan 0.000 0.485 292 S N 0.667 116.377 115.700 0.017 0.000 2.419 292 S HA -0.110 4.366 4.470 0.010 0.000 0.233 292 S C 1.593 176.173 174.600 -0.034 0.000 1.016 292 S CA 1.903 60.104 58.200 0.002 0.000 0.974 292 S CB -0.051 63.154 63.200 0.009 0.000 0.786 292 S HN 0.835 nan 8.310 nan 0.000 0.492 293 T N -1.170 113.349 114.554 -0.058 0.000 3.023 293 T HA 0.287 4.643 4.350 0.010 0.000 0.253 293 T C 0.181 174.787 174.700 -0.157 0.000 1.038 293 T CA -0.293 61.758 62.100 -0.082 0.000 0.962 293 T CB 0.019 68.853 68.868 -0.056 0.000 1.018 293 T HN 0.085 nan 8.240 nan 0.000 0.521 294 K N 1.919 122.165 120.400 -0.255 0.000 2.389 294 K HA 0.524 4.850 4.320 0.010 0.000 0.261 294 K C -0.893 175.321 176.600 -0.644 0.000 1.014 294 K CA -0.333 55.635 56.287 -0.532 0.000 0.920 294 K CB 1.769 33.775 32.500 -0.823 0.000 1.149 294 K HN 0.018 nan 8.250 nan 0.000 0.444 295 S N 3.109 118.530 115.700 -0.465 0.000 2.410 295 S HA 0.243 4.719 4.470 0.010 0.000 0.304 295 S C -0.801 173.611 174.600 -0.314 0.000 1.095 295 S CA -0.839 57.178 58.200 -0.305 0.000 1.089 295 S CB 0.195 63.326 63.200 -0.114 0.000 0.968 295 S HN 0.394 nan 8.310 nan 0.000 0.480 296 W N 4.916 126.247 121.300 0.052 0.000 2.446 296 W HA 0.303 4.968 4.660 0.010 0.000 0.316 296 W C 1.326 177.885 176.519 0.067 0.000 1.376 296 W CA -0.666 56.686 57.345 0.013 0.000 1.300 296 W CB 0.547 30.074 29.460 0.112 0.000 1.351 296 W HN 0.564 nan 8.180 nan 0.000 0.530 297 V N 1.504 121.527 119.914 0.181 0.000 3.484 297 V HA 0.598 4.724 4.120 0.010 0.000 0.252 297 V C 0.609 176.774 176.094 0.117 0.000 1.282 297 V CA 0.477 62.887 62.300 0.184 0.000 1.104 297 V CB 0.113 32.004 31.823 0.113 0.000 0.868 297 V HN 0.471 nan 8.190 nan 0.000 0.457 298 G N -0.405 108.267 108.800 -0.214 0.000 2.682 298 G HA2 0.681 4.647 3.960 0.010 0.000 0.300 298 G HA3 0.681 4.647 3.960 0.010 0.000 0.300 298 G C -1.921 172.443 174.900 -0.893 0.000 1.391 298 G CA -0.535 44.259 45.100 -0.510 0.000 0.990 298 G HN 0.092 nan 8.290 nan 0.000 0.501 299 F N 0.709 119.984 119.950 -1.124 0.000 2.588 299 F HA 0.792 5.325 4.527 0.010 0.000 0.310 299 F C 0.414 176.037 175.800 -0.295 0.000 1.082 299 F CA -0.539 57.035 58.000 -0.711 0.000 0.929 299 F CB 3.020 41.492 39.000 -0.880 0.000 1.254 299 F HN 0.708 nan 8.300 nan 0.000 0.455 300 S N 0.531 116.269 115.700 0.063 0.000 2.565 300 S HA 0.945 5.421 4.470 0.010 0.000 0.269 300 S C -1.024 173.642 174.600 0.109 0.000 1.153 300 S CA -0.670 57.576 58.200 0.077 0.000 0.835 300 S CB 1.887 65.102 63.200 0.025 0.000 1.122 300 S HN 1.282 nan 8.310 nan 0.000 0.462 301 G N -0.356 108.448 108.800 0.007 0.000 2.768 301 G HA2 0.650 4.616 3.960 0.010 0.000 0.297 301 G HA3 0.650 4.616 3.960 0.010 0.000 0.297 301 G C -0.095 174.715 174.900 -0.149 0.000 1.430 301 G CA -0.088 45.029 45.100 0.029 0.000 1.030 301 G HN 1.056 nan 8.290 nan 0.000 0.553 302 G N -0.181 108.483 108.800 -0.227 0.000 2.630 302 G HA2 0.396 4.362 3.960 0.010 0.000 0.223 302 G HA3 0.396 4.362 3.960 0.010 0.000 0.223 302 G C 0.919 175.884 174.900 0.108 0.000 1.434 302 G CA 0.009 45.089 45.100 -0.034 0.000 1.057 302 G HN 0.623 nan 8.290 nan 0.000 0.570 303 Q N -1.217 118.643 119.800 0.100 0.000 2.050 303 Q HA -0.069 4.277 4.340 0.010 0.000 0.202 303 Q C 1.504 177.650 176.000 0.243 0.000 0.980 303 Q CA 1.756 57.600 55.803 0.068 0.000 0.840 303 Q CB -0.052 28.487 28.738 -0.333 0.000 0.898 303 Q HN 0.747 nan 8.270 nan 0.000 0.424 304 H N -1.515 117.802 119.070 0.411 0.000 2.916 304 H HA 0.159 4.721 4.556 0.010 0.000 0.262 304 H C -0.475 175.021 175.328 0.281 0.000 1.178 304 H CA -0.452 55.769 56.048 0.288 0.000 1.090 304 H CB 0.589 30.359 29.762 0.014 0.000 1.657 304 H HN 0.241 nan 8.280 nan 0.000 0.601 305 H N -1.356 117.881 119.070 0.277 0.000 3.016 305 H HA 0.529 5.090 4.556 0.009 0.000 0.362 305 H C -1.423 174.105 175.328 0.333 0.000 1.233 305 H CA -0.969 55.216 56.048 0.229 0.000 1.124 305 H CB 1.718 31.578 29.762 0.163 0.000 1.850 305 H HN -0.097 nan 8.280 nan 0.000 0.549 306 T N 1.864 116.532 114.554 0.189 0.000 2.881 306 T HA 0.445 4.800 4.350 0.010 0.000 0.290 306 T C -0.664 174.147 174.700 0.186 0.000 1.000 306 T CA -0.572 61.657 62.100 0.215 0.000 0.978 306 T CB 1.588 70.682 68.868 0.377 0.000 0.997 306 T HN 0.439 nan 8.240 nan 0.000 0.443 307 V N 3.177 123.171 119.914 0.133 0.000 2.448 307 V HA 0.682 4.808 4.120 0.010 0.000 0.295 307 V C 0.238 176.351 176.094 0.031 0.000 1.025 307 V CA -0.773 61.631 62.300 0.173 0.000 0.859 307 V CB 1.105 33.092 31.823 0.273 0.000 0.988 307 V HN 1.220 nan 8.190 nan 0.000 0.431 308 C N 3.972 123.261 119.300 -0.018 0.000 3.213 308 C HA 1.002 5.468 4.460 0.010 0.000 0.319 308 C C -0.508 174.483 174.990 0.002 0.000 1.386 308 C CA -1.044 57.795 59.018 -0.297 0.000 1.494 308 C CB 1.562 28.780 27.740 -0.869 0.000 1.905 308 C HN 1.029 nan 8.230 nan 0.000 0.456 309 M N 1.115 120.681 119.600 -0.057 0.000 2.470 309 M HA 0.694 5.180 4.480 0.010 0.000 0.285 309 M C -1.528 174.854 176.300 0.137 0.000 1.213 309 M CA -0.233 55.161 55.300 0.157 0.000 0.901 309 M CB 2.060 34.697 32.600 0.061 0.000 1.718 309 M HN 0.848 nan 8.290 nan 0.000 0.469 310 D N 1.230 121.688 120.400 0.097 0.000 2.478 310 D HA 0.400 5.046 4.640 0.010 0.000 0.263 310 D C 0.738 176.998 176.300 -0.068 0.000 1.153 310 D CA -0.264 53.646 54.000 -0.150 0.000 1.038 310 D CB 0.748 41.285 40.800 -0.440 0.000 1.120 310 D HN 0.761 nan 8.370 nan 0.000 0.564 311 S N -1.617 114.021 115.700 -0.103 0.000 2.555 311 S HA -0.089 4.387 4.470 0.010 0.000 0.230 311 S C 0.670 175.245 174.600 -0.042 0.000 0.978 311 S CA 0.346 58.516 58.200 -0.050 0.000 0.934 311 S CB -0.595 62.575 63.200 -0.050 0.000 0.766 311 S HN 0.579 nan 8.310 nan 0.000 0.533 312 E N 0.819 120.988 120.200 -0.053 0.000 2.496 312 E HA 0.403 4.759 4.350 0.010 0.000 0.202 312 E C 0.720 177.299 176.600 -0.035 0.000 1.021 312 E CA -0.059 56.315 56.400 -0.042 0.000 1.015 312 E CB 0.196 29.864 29.700 -0.053 0.000 1.102 312 E HN 0.561 nan 8.360 nan 0.000 0.452 313 G N 1.932 110.717 108.800 -0.025 0.000 2.160 313 G HA2 -0.316 3.650 3.960 0.010 0.000 0.244 313 G HA3 -0.316 3.650 3.960 0.010 0.000 0.244 313 G C -0.070 174.799 174.900 -0.053 0.000 1.022 313 G CA 0.122 45.205 45.100 -0.028 0.000 0.741 313 G HN 0.175 nan 8.290 nan 0.000 0.508 314 K N -0.071 120.303 120.400 -0.044 0.000 2.270 314 K HA 0.753 5.079 4.320 0.010 0.000 0.255 314 K C 0.114 176.662 176.600 -0.087 0.000 0.936 314 K CA -0.055 56.153 56.287 -0.131 0.000 0.809 314 K CB 2.073 34.459 32.500 -0.190 0.000 1.131 314 K HN 0.512 nan 8.250 nan 0.000 0.427 315 A N 2.696 125.395 122.820 -0.202 0.000 2.340 315 A HA 0.724 5.049 4.320 0.010 0.000 0.331 315 A C -1.524 175.927 177.584 -0.223 0.000 1.140 315 A CA -0.499 51.509 52.037 -0.048 0.000 0.801 315 A CB 0.466 19.484 19.000 0.029 0.000 1.234 315 A HN 0.624 nan 8.150 nan 0.000 0.469 316 Y N 0.181 120.517 120.300 0.061 0.000 2.545 316 Y HA 0.631 5.186 4.550 0.009 0.000 0.348 316 Y C 0.549 176.480 175.900 0.052 0.000 1.002 316 Y CA -0.508 57.622 58.100 0.051 0.000 1.039 316 Y CB 2.493 41.024 38.460 0.118 0.000 1.271 316 Y HN 0.830 nan 8.280 nan 0.000 0.467 317 S N 2.942 118.758 115.700 0.193 0.000 2.599 317 S HA 0.983 5.459 4.470 0.010 0.000 0.287 317 S C -1.264 173.424 174.600 0.147 0.000 1.105 317 S CA -0.810 57.503 58.200 0.188 0.000 0.899 317 S CB 2.043 65.360 63.200 0.194 0.000 1.100 317 S HN 0.853 nan 8.310 nan 0.000 0.482 318 L N -1.958 119.370 121.223 0.176 0.000 2.671 318 L HA 0.952 5.298 4.340 0.010 0.000 0.259 318 L C 0.099 177.084 176.870 0.193 0.000 1.021 318 L CA -0.457 54.468 54.840 0.143 0.000 0.871 318 L CB 1.123 43.242 42.059 0.100 0.000 1.472 318 L HN 1.514 nan 8.230 nan 0.000 0.410 319 G N 0.693 109.601 108.800 0.179 0.000 2.416 319 G HA2 -0.128 3.837 3.960 0.010 0.000 0.203 319 G HA3 -0.128 3.837 3.960 0.010 0.000 0.203 319 G C -0.906 174.102 174.900 0.181 0.000 1.227 319 G CA -0.154 45.078 45.100 0.221 0.000 1.041 319 G HN 1.033 nan 8.290 nan 0.000 0.546 320 R N 0.707 121.280 120.500 0.122 0.000 2.570 320 R HA 0.464 4.810 4.340 0.010 0.000 0.277 320 R C 1.487 177.743 176.300 -0.073 0.000 1.039 320 R CA 1.034 57.084 56.100 -0.083 0.000 1.065 320 R CB 0.502 30.494 30.300 -0.515 0.000 0.964 320 R HN 1.238 nan 8.270 nan 0.000 0.428 321 A N 3.895 126.673 122.820 -0.070 0.000 2.115 321 A HA 0.062 4.388 4.320 0.010 0.000 0.211 321 A C 0.273 177.717 177.584 -0.233 0.000 1.169 321 A CA 0.017 52.010 52.037 -0.074 0.000 0.787 321 A CB 0.062 19.107 19.000 0.076 0.000 0.858 321 A HN 0.715 nan 8.150 nan 0.000 0.474 322 E N -0.264 119.773 120.200 -0.271 0.000 2.568 322 E HA -0.016 4.340 4.350 0.010 0.000 0.262 322 E C -0.425 175.814 176.600 -0.602 0.000 0.961 322 E CA 0.520 56.644 56.400 -0.460 0.000 0.945 322 E CB -0.072 29.239 29.700 -0.647 0.000 0.924 322 E HN 0.435 nan 8.360 nan 0.000 0.467 323 Y N 0.238 120.266 120.300 -0.453 0.000 4.798 323 Y HA -0.301 4.254 4.550 0.010 0.000 0.237 323 Y C 1.201 176.419 175.900 -1.136 0.000 1.017 323 Y CA 1.292 59.048 58.100 -0.572 0.000 2.010 323 Y CB -1.994 36.295 38.460 -0.286 0.000 1.582 323 Y HN 0.778 nan 8.280 nan 0.000 0.621 324 G N -0.241 107.512 108.800 -1.745 0.000 2.141 324 G HA2 -0.401 3.565 3.960 0.010 0.000 0.242 324 G HA3 -0.401 3.565 3.960 0.010 0.000 0.242 324 G C 1.166 175.802 174.900 -0.440 0.000 0.982 324 G CA 0.620 44.881 45.100 -1.398 0.000 0.662 324 G HN 0.813 nan 8.290 nan 0.000 0.527 325 R N 0.059 120.336 120.500 -0.372 0.000 2.241 325 R HA 0.163 4.509 4.340 0.010 0.000 0.224 325 R C 2.051 178.413 176.300 0.103 0.000 1.101 325 R CA 1.481 57.445 56.100 -0.228 0.000 0.995 325 R CB -0.364 29.550 30.300 -0.643 0.000 0.870 325 R HN 0.468 nan 8.270 nan 0.000 0.463 326 L N 0.484 121.729 121.223 0.036 0.000 2.418 326 L HA 0.203 4.549 4.340 0.010 0.000 0.218 326 L C 1.162 177.933 176.870 -0.165 0.000 1.125 326 L CA 0.614 55.508 54.840 0.090 0.000 0.835 326 L CB -0.237 41.844 42.059 0.037 0.000 0.953 326 L HN 0.584 nan 8.230 nan 0.000 0.454 327 G N 0.851 109.432 108.800 -0.366 0.000 2.221 327 G HA2 -0.285 3.681 3.960 0.010 0.000 0.265 327 G HA3 -0.285 3.681 3.960 0.010 0.000 0.265 327 G C 0.548 175.170 174.900 -0.465 0.000 1.041 327 G CA 0.285 44.866 45.100 -0.865 0.000 0.807 327 G HN 0.373 nan 8.290 nan 0.000 0.502 328 L N -0.224 120.889 121.223 -0.183 0.000 2.728 328 L HA 0.510 4.856 4.340 0.010 0.000 0.238 328 L C 1.461 178.322 176.870 -0.015 0.000 1.143 328 L CA 0.293 55.070 54.840 -0.104 0.000 0.937 328 L CB -0.091 41.940 42.059 -0.047 0.000 1.225 328 L HN 1.065 nan 8.230 nan 0.000 0.507 329 G N 0.360 109.192 108.800 0.053 0.000 2.661 329 G HA2 -0.144 3.822 3.960 0.010 0.000 0.685 329 G HA3 -0.144 3.822 3.960 0.010 0.000 0.685 329 G C -0.620 174.396 174.900 0.194 0.000 1.298 329 G CA -1.046 44.115 45.100 0.101 0.000 0.855 329 G HN 0.053 nan 8.290 nan 0.000 0.560 330 E N 0.254 120.475 120.200 0.034 0.000 2.442 330 E HA 0.376 4.731 4.350 0.010 0.000 0.262 330 E C 1.494 177.933 176.600 -0.269 0.000 1.004 330 E CA 1.188 57.421 56.400 -0.279 0.000 0.928 330 E CB 0.410 29.926 29.700 -0.306 0.000 0.937 330 E HN 2.359 nan 8.360 nan 0.000 0.446 331 G N 1.413 109.894 108.800 -0.530 0.000 2.166 331 G HA2 -0.324 3.642 3.960 0.010 0.000 0.260 331 G HA3 -0.324 3.642 3.960 0.010 0.000 0.260 331 G C 0.560 175.435 174.900 -0.041 0.000 0.986 331 G CA 0.382 45.315 45.100 -0.277 0.000 0.683 331 G HN 0.860 nan 8.290 nan 0.000 0.527 332 A N -0.497 122.401 122.820 0.131 0.000 2.520 332 A HA 0.524 4.850 4.320 0.010 0.000 0.235 332 A C 0.528 178.220 177.584 0.180 0.000 1.065 332 A CA 0.964 53.111 52.037 0.184 0.000 0.764 332 A CB 0.273 19.427 19.000 0.257 0.000 1.002 332 A HN 0.605 nan 8.150 nan 0.000 0.502 333 E N 0.168 120.428 120.200 0.100 0.000 2.263 333 E HA 0.306 4.662 4.350 0.010 0.000 0.264 333 E C -0.620 176.020 176.600 0.067 0.000 0.923 333 E CA -0.858 55.590 56.400 0.081 0.000 0.802 333 E CB 1.441 31.168 29.700 0.044 0.000 1.228 333 E HN 0.810 nan 8.360 nan 0.000 0.417 334 E N 1.829 122.072 120.200 0.072 0.000 2.708 334 E HA -0.133 4.223 4.350 0.010 0.000 0.260 334 E C -0.785 175.836 176.600 0.034 0.000 0.937 334 E CA 0.600 57.050 56.400 0.083 0.000 0.953 334 E CB 0.417 30.201 29.700 0.140 0.000 0.915 334 E HN 0.087 nan 8.360 nan 0.000 0.487 335 K N 1.894 122.320 120.400 0.043 0.000 2.267 335 K HA 0.241 4.566 4.320 0.010 0.000 0.246 335 K C -0.042 176.547 176.600 -0.018 0.000 0.954 335 K CA -0.511 55.773 56.287 -0.004 0.000 0.824 335 K CB 1.957 34.470 32.500 0.021 0.000 1.167 335 K HN 0.529 nan 8.250 nan 0.000 0.431 336 S N -0.537 115.107 115.700 -0.093 0.000 2.780 336 S HA 0.280 4.756 4.470 0.010 0.000 0.248 336 S C 0.519 175.080 174.600 -0.065 0.000 1.036 336 S CA -0.541 57.613 58.200 -0.077 0.000 1.061 336 S CB -0.610 62.428 63.200 -0.269 0.000 1.037 336 S HN 0.580 nan 8.310 nan 0.000 0.584 337 I N -1.906 118.606 120.570 -0.097 0.000 2.769 337 I HA 0.638 4.814 4.170 0.010 0.000 0.298 337 I C -3.088 172.913 176.117 -0.193 0.000 1.128 337 I CA -3.025 58.162 61.300 -0.188 0.000 1.031 337 I CB 2.086 39.995 38.000 -0.152 0.000 1.235 337 I HN -0.291 nan 8.210 nan 0.000 0.423 338 P HA 0.039 nan 4.420 nan 0.000 0.260 338 P C -0.577 176.761 177.300 0.064 0.000 1.185 338 P CA 0.416 63.371 63.100 -0.242 0.000 0.763 338 P CB 0.375 31.673 31.700 -0.670 0.000 0.776 339 T N 4.778 119.438 114.554 0.177 0.000 2.791 339 T HA 0.225 4.581 4.350 0.010 0.000 0.288 339 T C 0.200 174.979 174.700 0.131 0.000 0.999 339 T CA -0.632 61.561 62.100 0.156 0.000 0.952 339 T CB 0.659 69.557 68.868 0.050 0.000 0.938 339 T HN 0.223 nan 8.240 nan 0.000 0.444 340 L N 4.674 125.929 121.223 0.055 0.000 2.640 340 L HA 0.165 4.510 4.340 0.010 0.000 0.280 340 L C -0.247 176.463 176.870 -0.266 0.000 1.229 340 L CA 0.580 55.217 54.840 -0.337 0.000 0.919 340 L CB -0.117 41.763 42.059 -0.299 0.000 1.168 340 L HN 0.607 nan 8.230 nan 0.000 0.496 341 I N 5.522 125.883 120.570 -0.348 0.000 2.256 341 I HA 0.081 4.257 4.170 0.010 0.000 0.294 341 I C 1.324 177.249 176.117 -0.319 0.000 1.127 341 I CA 0.097 61.194 61.300 -0.338 0.000 1.247 341 I CB 0.376 38.119 38.000 -0.428 0.000 1.460 341 I HN 0.887 nan 8.210 nan 0.000 0.511 342 S N 5.007 120.557 115.700 -0.251 0.000 2.428 342 S HA -0.062 4.414 4.470 0.010 0.000 0.230 342 S C 1.395 175.874 174.600 -0.202 0.000 1.014 342 S CA 0.359 58.435 58.200 -0.208 0.000 0.957 342 S CB -0.134 62.976 63.200 -0.151 0.000 0.784 342 S HN 0.610 nan 8.310 nan 0.000 0.499 343 R N 1.345 121.718 120.500 -0.212 0.000 4.779 343 R HA 0.464 4.810 4.340 0.010 0.000 0.217 343 R C -0.926 175.208 176.300 -0.277 0.000 1.934 343 R CA 0.074 56.061 56.100 -0.189 0.000 1.623 343 R CB -0.577 29.640 30.300 -0.139 0.000 1.364 343 R HN 0.405 nan 8.270 nan 0.000 0.799 344 L N 0.058 121.084 121.223 -0.327 0.000 2.434 344 L HA 0.503 4.849 4.340 0.010 0.000 0.260 344 L C -2.242 174.411 176.870 -0.361 0.000 0.983 344 L CA -2.463 52.077 54.840 -0.500 0.000 0.820 344 L CB 2.404 44.203 42.059 -0.433 0.000 1.361 344 L HN 0.052 nan 8.230 nan 0.000 0.410 345 P HA 0.183 nan 4.420 nan 0.000 0.274 345 P C -0.755 176.455 177.300 -0.150 0.000 1.260 345 P CA -0.486 62.500 63.100 -0.190 0.000 0.793 345 P CB 0.427 32.063 31.700 -0.105 0.000 1.048 346 A N 0.539 123.311 122.820 -0.081 0.000 2.567 346 A HA 0.215 4.540 4.320 0.010 0.000 0.240 346 A C 0.019 177.579 177.584 -0.039 0.000 1.053 346 A CA 0.119 52.121 52.037 -0.058 0.000 0.755 346 A CB -0.598 18.384 19.000 -0.031 0.000 0.978 346 A HN 0.317 nan 8.150 nan 0.000 0.507 347 V N 3.075 122.969 119.914 -0.034 0.000 2.532 347 V HA 0.381 4.507 4.120 0.010 0.000 0.295 347 V C 1.252 177.360 176.094 0.024 0.000 1.041 347 V CA 0.518 62.819 62.300 0.001 0.000 0.926 347 V CB 1.668 33.493 31.823 0.002 0.000 0.992 347 V HN 1.209 nan 8.190 nan 0.000 0.457 348 S N 1.496 117.224 115.700 0.046 0.000 2.514 348 S HA 0.229 4.705 4.470 0.010 0.000 0.223 348 S C 0.554 175.188 174.600 0.058 0.000 1.046 348 S CA 0.375 58.603 58.200 0.048 0.000 0.914 348 S CB 0.360 63.590 63.200 0.050 0.000 0.807 348 S HN 1.014 nan 8.310 nan 0.000 0.497 349 S N 0.349 116.090 115.700 0.069 0.000 2.565 349 S HA 0.754 5.230 4.470 0.010 0.000 0.269 349 S C -0.967 173.684 174.600 0.085 0.000 1.153 349 S CA -0.316 57.927 58.200 0.071 0.000 0.835 349 S CB 1.464 64.705 63.200 0.069 0.000 1.122 349 S HN 1.138 nan 8.310 nan 0.000 0.462 350 V N -1.892 118.066 119.914 0.073 0.000 3.102 350 V HA 1.091 5.216 4.120 0.010 0.000 0.312 350 V C -0.187 175.945 176.094 0.063 0.000 1.135 350 V CA -0.509 61.846 62.300 0.093 0.000 1.022 350 V CB 0.915 32.797 31.823 0.100 0.000 1.056 350 V HN 2.043 nan 8.190 nan 0.000 0.436 351 A N 0.712 123.575 122.820 0.071 0.000 2.610 351 A HA 0.885 5.211 4.320 0.010 0.000 0.291 351 A C -1.037 176.586 177.584 0.066 0.000 1.086 351 A CA -0.381 51.683 52.037 0.045 0.000 0.677 351 A CB 1.599 20.598 19.000 -0.003 0.000 1.278 351 A HN 1.342 nan 8.150 nan 0.000 0.414 352 C N -0.040 119.278 119.300 0.030 0.000 2.712 352 C HA 0.893 5.359 4.460 0.010 0.000 0.308 352 C C 1.071 176.086 174.990 0.043 0.000 1.201 352 C CA 0.088 59.124 59.018 0.030 0.000 1.554 352 C CB 1.442 29.111 27.740 -0.118 0.000 2.117 352 C HN 1.307 nan 8.230 nan 0.000 0.480 353 G N 0.545 109.406 108.800 0.101 0.000 2.671 353 G HA2 0.541 4.506 3.960 0.010 0.000 0.275 353 G HA3 0.541 4.506 3.960 0.010 0.000 0.275 353 G C 0.972 175.917 174.900 0.075 0.000 1.368 353 G CA 0.341 45.471 45.100 0.051 0.000 1.044 353 G HN 1.019 nan 8.290 nan 0.000 0.543 354 A N -0.701 122.146 122.820 0.045 0.000 1.892 354 A HA 0.056 4.382 4.320 0.010 0.000 0.218 354 A C 1.912 179.574 177.584 0.129 0.000 1.188 354 A CA 2.523 54.595 52.037 0.057 0.000 0.631 354 A CB -0.391 18.632 19.000 0.038 0.000 0.822 354 A HN 0.670 nan 8.150 nan 0.000 0.447 355 S N -1.710 114.034 115.700 0.074 0.000 2.941 355 S HA 0.425 4.901 4.470 0.010 0.000 0.251 355 S C -0.362 174.137 174.600 -0.169 0.000 1.029 355 S CA 0.174 58.362 58.200 -0.021 0.000 1.062 355 S CB 0.451 63.643 63.200 -0.014 0.000 0.977 355 S HN 0.840 nan 8.310 nan 0.000 0.552 356 V N -1.876 117.979 119.914 -0.099 0.000 3.078 356 V HA 1.061 5.187 4.120 0.010 0.000 0.311 356 V C -0.173 175.719 176.094 -0.336 0.000 1.138 356 V CA -0.779 61.339 62.300 -0.304 0.000 1.007 356 V CB 1.492 33.130 31.823 -0.308 0.000 1.045 356 V HN 0.188 nan 8.190 nan 0.000 0.432 357 G N 0.791 109.004 108.800 -0.978 0.000 2.563 357 G HA2 0.781 4.747 3.960 0.010 0.000 0.302 357 G HA3 0.781 4.747 3.960 0.010 0.000 0.302 357 G C -2.131 171.528 174.900 -2.068 0.000 1.301 357 G CA -0.751 43.621 45.100 -1.213 0.000 0.965 357 G HN 0.748 nan 8.290 nan 0.000 0.480 358 Y N -0.618 119.075 120.300 -1.012 0.000 2.581 358 Y HA 0.726 5.282 4.550 0.010 0.000 0.345 358 Y C 0.189 175.971 175.900 -0.197 0.000 1.036 358 Y CA -0.835 56.880 58.100 -0.642 0.000 1.042 358 Y CB 2.867 41.161 38.460 -0.277 0.000 1.289 358 Y HN 0.846 nan 8.280 nan 0.000 0.471 359 A N 1.243 124.235 122.820 0.287 0.000 2.408 359 A HA 0.719 5.044 4.320 0.010 0.000 0.295 359 A C -1.795 175.965 177.584 0.293 0.000 1.040 359 A CA -0.659 51.569 52.037 0.318 0.000 0.707 359 A CB 0.832 20.067 19.000 0.391 0.000 1.235 359 A HN 0.466 nan 8.150 nan 0.000 0.418 360 V N 2.647 122.678 119.914 0.194 0.000 2.509 360 V HA 0.551 4.677 4.120 0.010 0.000 0.284 360 V C 0.988 177.170 176.094 0.147 0.000 1.047 360 V CA 0.169 62.572 62.300 0.171 0.000 0.952 360 V CB 1.462 33.347 31.823 0.103 0.000 0.988 360 V HN 1.069 nan 8.190 nan 0.000 0.469 361 T N 1.510 116.164 114.554 0.168 0.000 2.902 361 T HA 0.362 4.718 4.350 0.010 0.000 0.280 361 T C 0.860 175.610 174.700 0.082 0.000 0.992 361 T CA -0.761 61.407 62.100 0.112 0.000 1.015 361 T CB 1.223 70.177 68.868 0.143 0.000 1.044 361 T HN 0.553 nan 8.240 nan 0.000 0.520 362 K N 0.266 120.698 120.400 0.053 0.000 2.280 362 K HA -0.089 4.237 4.320 0.010 0.000 0.202 362 K C 1.201 177.830 176.600 0.048 0.000 1.047 362 K CA 1.554 57.867 56.287 0.043 0.000 0.942 362 K CB -0.173 32.343 32.500 0.026 0.000 0.739 362 K HN 0.800 nan 8.250 nan 0.000 0.457 363 D N -1.131 119.305 120.400 0.060 0.000 2.328 363 D HA 0.046 4.692 4.640 0.010 0.000 0.221 363 D C 0.825 177.166 176.300 0.068 0.000 1.072 363 D CA 0.458 54.494 54.000 0.060 0.000 0.850 363 D CB 0.393 41.230 40.800 0.061 0.000 0.922 363 D HN 0.178 nan 8.370 nan 0.000 0.516 364 G N -0.039 108.807 108.800 0.077 0.000 2.131 364 G HA2 -0.275 3.691 3.960 0.010 0.000 0.223 364 G HA3 -0.275 3.691 3.960 0.010 0.000 0.223 364 G C 0.153 175.102 174.900 0.081 0.000 0.990 364 G CA -0.248 44.893 45.100 0.069 0.000 0.671 364 G HN 0.439 nan 8.290 nan 0.000 0.521 365 R N -1.180 119.397 120.500 0.129 0.000 2.691 365 R HA 0.794 5.140 4.340 0.010 0.000 0.259 365 R C -0.694 175.726 176.300 0.199 0.000 1.048 365 R CA -0.600 55.584 56.100 0.139 0.000 1.086 365 R CB 2.317 32.734 30.300 0.195 0.000 1.166 365 R HN 0.358 nan 8.270 nan 0.000 0.526 366 V N 2.482 122.471 119.914 0.125 0.000 2.623 366 V HA 0.501 4.627 4.120 0.010 0.000 0.304 366 V C -1.642 174.540 176.094 0.147 0.000 1.054 366 V CA -0.580 61.845 62.300 0.209 0.000 0.882 366 V CB 1.390 33.279 31.823 0.109 0.000 1.002 366 V HN 0.494 nan 8.190 nan 0.000 0.424 367 F N 4.496 124.564 119.950 0.197 0.000 2.507 367 F HA 0.923 5.454 4.527 0.006 0.000 0.327 367 F C 0.544 176.486 175.800 0.237 0.000 1.068 367 F CA -0.166 57.978 58.000 0.239 0.000 0.965 367 F CB 2.179 41.355 39.000 0.293 0.000 1.192 367 F HN 0.698 nan 8.300 nan 0.000 0.476 368 A N 1.819 124.825 122.820 0.309 0.000 2.454 368 A HA 0.909 5.235 4.320 0.010 0.000 0.302 368 A C -2.042 175.602 177.584 0.100 0.000 1.079 368 A CA -0.628 51.328 52.037 -0.135 0.000 0.731 368 A CB 1.269 20.198 19.000 -0.120 0.000 1.299 368 A HN 0.910 nan 8.150 nan 0.000 0.413 369 W N -0.433 120.700 121.300 -0.279 0.000 3.066 369 W HA 0.722 5.386 4.660 0.008 0.000 0.330 369 W C 0.081 176.437 176.519 -0.273 0.000 1.253 369 W CA -0.376 56.852 57.345 -0.195 0.000 1.187 369 W CB 0.319 29.709 29.460 -0.116 0.000 1.434 369 W HN 2.197 nan 8.180 nan 0.000 0.572 370 G N 0.426 109.200 108.800 -0.043 0.000 2.384 370 G HA2 0.003 3.969 3.960 0.010 0.000 0.204 370 G HA3 0.003 3.969 3.960 0.010 0.000 0.204 370 G C -1.014 173.765 174.900 -0.202 0.000 1.237 370 G CA -0.671 44.309 45.100 -0.201 0.000 1.060 370 G HN 1.146 nan 8.290 nan 0.000 0.514 371 M N 1.937 121.418 119.600 -0.199 0.000 2.252 371 M HA 0.422 4.908 4.480 0.010 0.000 0.348 371 M C 1.516 177.704 176.300 -0.187 0.000 1.334 371 M CA 1.293 56.468 55.300 -0.207 0.000 1.071 371 M CB 0.597 33.051 32.600 -0.243 0.000 1.763 371 M HN 1.014 nan 8.290 nan 0.000 0.452 372 G N 2.001 110.687 108.800 -0.191 0.000 2.796 372 G HA2 -0.037 3.929 3.960 0.010 0.000 0.210 372 G HA3 -0.037 3.929 3.960 0.010 0.000 0.210 372 G C 1.030 175.768 174.900 -0.271 0.000 1.146 372 G CA 0.496 45.480 45.100 -0.194 0.000 0.779 372 G HN 0.802 nan 8.290 nan 0.000 0.535 373 T N 2.226 116.630 114.554 -0.250 0.000 2.620 373 T HA -0.243 4.113 4.350 0.010 0.000 0.267 373 T C 2.043 176.614 174.700 -0.216 0.000 1.044 373 T CA 1.562 63.519 62.100 -0.237 0.000 1.161 373 T CB -0.264 68.499 68.868 -0.175 0.000 0.862 373 T HN 0.268 nan 8.240 nan 0.000 0.438 374 N N 0.225 118.867 118.700 -0.097 0.000 2.515 374 N HA 0.002 4.748 4.740 0.010 0.000 0.185 374 N C -0.080 175.542 175.510 0.186 0.000 1.109 374 N CA 0.348 53.431 53.050 0.054 0.000 0.903 374 N CB -0.210 38.313 38.487 0.059 0.000 0.969 374 N HN 0.543 nan 8.380 nan 0.000 0.450 375 Y N -0.664 119.642 120.300 0.010 0.000 4.786 375 Y HA -0.289 4.267 4.550 0.009 0.000 0.243 375 Y C 1.334 177.255 175.900 0.035 0.000 1.027 375 Y CA 0.292 58.403 58.100 0.019 0.000 2.052 375 Y CB -2.338 36.134 38.460 0.021 0.000 1.578 375 Y HN 0.167 nan 8.280 nan 0.000 0.655 376 Q N 0.231 120.112 119.800 0.135 0.000 2.291 376 Q HA -0.095 4.251 4.340 0.010 0.000 0.206 376 Q C 1.928 178.030 176.000 0.169 0.000 0.976 376 Q CA 1.480 57.370 55.803 0.144 0.000 0.875 376 Q CB -0.090 28.726 28.738 0.130 0.000 0.927 376 Q HN 0.672 nan 8.270 nan 0.000 0.450 377 L N -0.943 120.335 121.223 0.091 0.000 2.217 377 L HA 0.003 4.348 4.340 0.010 0.000 0.211 377 L C 1.378 178.313 176.870 0.108 0.000 1.107 377 L CA 0.711 55.592 54.840 0.067 0.000 0.783 377 L CB -0.397 41.661 42.059 -0.002 0.000 0.919 377 L HN 0.452 nan 8.230 nan 0.000 0.442 378 G N 0.055 108.926 108.800 0.117 0.000 2.143 378 G HA2 -0.327 3.639 3.960 0.010 0.000 0.248 378 G HA3 -0.327 3.639 3.960 0.010 0.000 0.248 378 G C 0.890 175.835 174.900 0.075 0.000 0.991 378 G CA 0.683 45.841 45.100 0.097 0.000 0.689 378 G HN 0.397 nan 8.290 nan 0.000 0.522 379 T N -3.194 111.409 114.554 0.083 0.000 2.985 379 T HA 0.388 4.743 4.350 0.010 0.000 0.266 379 T C 2.517 177.267 174.700 0.083 0.000 1.076 379 T CA 1.889 64.028 62.100 0.065 0.000 1.135 379 T CB 0.163 69.065 68.868 0.056 0.000 0.890 379 T HN 2.177 nan 8.240 nan 0.000 0.480 380 G N 0.321 109.204 108.800 0.137 0.000 2.195 380 G HA2 -0.152 3.814 3.960 0.010 0.000 0.224 380 G HA3 -0.152 3.814 3.960 0.010 0.000 0.224 380 G C -0.062 174.990 174.900 0.252 0.000 0.990 380 G CA -0.034 45.160 45.100 0.156 0.000 0.639 380 G HN 0.653 nan 8.290 nan 0.000 0.514 381 Q N 0.146 120.067 119.800 0.201 0.000 2.445 381 Q HA 0.520 4.866 4.340 0.010 0.000 0.281 381 Q C -0.103 175.804 176.000 -0.155 0.000 1.101 381 Q CA -0.069 55.808 55.803 0.122 0.000 0.833 381 Q CB 1.509 30.278 28.738 0.052 0.000 1.416 381 Q HN 0.395 nan 8.270 nan 0.000 0.451 382 D N -0.937 119.263 120.400 -0.333 0.000 2.462 382 D HA 0.051 4.697 4.640 0.010 0.000 0.221 382 D C -0.407 175.738 176.300 -0.258 0.000 1.173 382 D CA -0.077 53.579 54.000 -0.573 0.000 0.831 382 D CB 0.646 41.012 40.800 -0.724 0.000 1.001 382 D HN 0.203 nan 8.370 nan 0.000 0.499 383 E N 1.302 121.426 120.200 -0.127 0.000 2.343 383 E HA 0.137 4.493 4.350 0.010 0.000 0.269 383 E C 0.067 176.652 176.600 -0.025 0.000 1.047 383 E CA -0.390 55.984 56.400 -0.043 0.000 0.874 383 E CB 1.054 30.763 29.700 0.015 0.000 1.033 383 E HN 0.153 nan 8.360 nan 0.000 0.409 384 D N 0.680 121.094 120.400 0.024 0.000 2.378 384 D HA 0.251 4.897 4.640 0.010 0.000 0.238 384 D C -0.410 175.948 176.300 0.097 0.000 1.180 384 D CA 0.176 54.190 54.000 0.022 0.000 0.895 384 D CB 0.685 41.532 40.800 0.078 0.000 1.192 384 D HN 0.388 nan 8.370 nan 0.000 0.438 385 A N 1.311 124.153 122.820 0.037 0.000 2.310 385 A HA 0.329 4.654 4.320 0.010 0.000 0.304 385 A C -0.229 177.426 177.584 0.119 0.000 1.231 385 A CA -0.794 51.325 52.037 0.136 0.000 0.799 385 A CB 0.277 19.350 19.000 0.121 0.000 1.162 385 A HN 0.621 nan 8.150 nan 0.000 0.486 386 W N 2.018 123.357 121.300 0.065 0.000 3.003 386 W HA 0.207 4.873 4.660 0.010 0.000 0.257 386 W C 0.657 177.169 176.519 -0.011 0.000 1.308 386 W CA 0.517 57.886 57.345 0.040 0.000 1.529 386 W CB 0.432 29.901 29.460 0.014 0.000 1.115 386 W HN 0.539 nan 8.180 nan 0.000 0.659 387 S N -0.757 115.054 115.700 0.186 0.000 2.600 387 S HA 0.452 4.928 4.470 0.010 0.000 0.300 387 S C -2.626 172.037 174.600 0.104 0.000 1.087 387 S CA -1.379 56.849 58.200 0.047 0.000 0.965 387 S CB 1.723 64.957 63.200 0.056 0.000 1.089 387 S HN -0.434 nan 8.310 nan 0.000 0.496 388 P HA 0.213 nan 4.420 nan 0.000 0.267 388 P C -1.322 176.206 177.300 0.380 0.000 1.205 388 P CA -0.087 63.203 63.100 0.317 0.000 0.765 388 P CB 0.359 32.152 31.700 0.155 0.000 0.828 389 V N 3.295 123.427 119.914 0.362 0.000 2.495 389 V HA 0.242 4.368 4.120 0.010 0.000 0.298 389 V C 0.376 176.475 176.094 0.008 0.000 1.031 389 V CA -0.800 61.615 62.300 0.193 0.000 0.871 389 V CB 1.645 33.539 31.823 0.118 0.000 0.988 389 V HN 0.492 nan 8.190 nan 0.000 0.432 390 E N 4.045 124.077 120.200 -0.281 0.000 2.324 390 E HA 0.232 4.588 4.350 0.010 0.000 0.271 390 E C -0.490 175.931 176.600 -0.300 0.000 1.028 390 E CA -0.346 55.621 56.400 -0.723 0.000 0.890 390 E CB 0.630 29.863 29.700 -0.779 0.000 1.004 390 E HN 0.578 nan 8.360 nan 0.000 0.431 391 M N 5.224 124.680 119.600 -0.240 0.000 2.188 391 M HA 0.213 4.699 4.480 0.010 0.000 0.354 391 M C -0.002 176.243 176.300 -0.092 0.000 1.342 391 M CA 0.611 55.858 55.300 -0.089 0.000 1.117 391 M CB 0.776 33.365 32.600 -0.018 0.000 1.670 391 M HN 0.418 nan 8.290 nan 0.000 0.466 392 M N 1.180 120.747 119.600 -0.054 0.000 2.821 392 M HA 0.930 5.416 4.480 0.010 0.000 0.294 392 M C 0.094 176.382 176.300 -0.019 0.000 1.195 392 M CA -0.878 54.397 55.300 -0.042 0.000 0.784 392 M CB 2.493 35.070 32.600 -0.039 0.000 1.755 392 M HN 0.805 nan 8.290 nan 0.000 0.477 393 G N 0.183 108.974 108.800 -0.016 0.000 2.333 393 G HA2 0.026 3.992 3.960 0.010 0.000 0.330 393 G HA3 0.026 3.992 3.960 0.010 0.000 0.330 393 G C -0.654 174.239 174.900 -0.011 0.000 1.465 393 G CA -0.823 44.271 45.100 -0.010 0.000 0.996 393 G HN 0.707 nan 8.290 nan 0.000 0.655 394 K N -0.287 120.107 120.400 -0.011 0.000 2.152 394 K HA -0.112 4.214 4.320 0.010 0.000 0.206 394 K C 2.296 178.889 176.600 -0.012 0.000 1.048 394 K CA 1.635 57.915 56.287 -0.011 0.000 0.933 394 K CB -0.003 32.489 32.500 -0.012 0.000 0.721 394 K HN 0.384 nan 8.250 nan 0.000 0.447 395 Q N 0.246 120.038 119.800 -0.013 0.000 2.378 395 Q HA 0.011 4.356 4.340 0.010 0.000 0.205 395 Q C 1.869 177.861 176.000 -0.012 0.000 0.954 395 Q CA 0.875 56.670 55.803 -0.014 0.000 0.901 395 Q CB 0.244 28.973 28.738 -0.016 0.000 0.981 395 Q HN 0.394 nan 8.270 nan 0.000 0.483 396 L N 0.220 121.436 121.223 -0.012 0.000 2.513 396 L HA 0.088 4.434 4.340 0.010 0.000 0.222 396 L C 0.463 177.328 176.870 -0.009 0.000 1.096 396 L CA 0.011 54.844 54.840 -0.012 0.000 0.857 396 L CB 0.225 42.274 42.059 -0.017 0.000 1.026 396 L HN 0.077 nan 8.230 nan 0.000 0.469 397 E N 1.553 121.748 120.200 -0.009 0.000 2.452 397 E HA -0.070 4.286 4.350 0.010 0.000 0.261 397 E C -0.015 176.583 176.600 -0.004 0.000 0.987 397 E CA -0.019 56.378 56.400 -0.006 0.000 0.926 397 E CB 0.154 29.850 29.700 -0.007 0.000 0.934 397 E HN 0.186 nan 8.360 nan 0.000 0.452 398 N N 2.036 120.735 118.700 -0.001 0.000 2.725 398 N HA -0.210 4.536 4.740 0.010 0.000 0.249 398 N C -0.819 174.692 175.510 0.002 0.000 1.103 398 N CA 1.165 54.216 53.050 0.001 0.000 0.707 398 N CB -0.674 37.813 38.487 -0.000 0.000 1.043 398 N HN 0.486 nan 8.380 nan 0.000 0.553 399 R N -0.563 119.939 120.500 0.003 0.000 2.774 399 R HA 0.637 4.983 4.340 0.010 0.000 0.272 399 R C -0.318 175.988 176.300 0.010 0.000 1.000 399 R CA -0.872 55.230 56.100 0.004 0.000 0.906 399 R CB 2.195 32.495 30.300 -0.000 0.000 1.227 399 R HN -0.004 nan 8.270 nan 0.000 0.468 400 V N -0.836 119.086 119.914 0.013 0.000 2.513 400 V HA 0.547 4.673 4.120 0.010 0.000 0.299 400 V C -0.060 176.046 176.094 0.020 0.000 1.035 400 V CA -0.908 61.405 62.300 0.021 0.000 0.889 400 V CB 1.776 33.614 31.823 0.025 0.000 0.988 400 V HN 0.404 nan 8.190 nan 0.000 0.440 401 V N 6.020 125.951 119.914 0.027 0.000 2.470 401 V HA 0.205 4.331 4.120 0.010 0.000 0.276 401 V C 1.130 177.242 176.094 0.029 0.000 1.040 401 V CA 0.042 62.356 62.300 0.023 0.000 1.008 401 V CB 0.774 32.615 31.823 0.030 0.000 0.990 401 V HN 0.910 nan 8.190 nan 0.000 0.477 402 L N 3.642 124.877 121.223 0.020 0.000 2.253 402 L HA 0.179 4.525 4.340 0.010 0.000 0.205 402 L C 0.955 177.839 176.870 0.022 0.000 1.078 402 L CA 0.769 55.624 54.840 0.024 0.000 0.805 402 L CB 0.170 42.241 42.059 0.021 0.000 0.963 402 L HN 0.845 nan 8.230 nan 0.000 0.459 403 S N -1.841 113.862 115.700 0.005 0.000 2.588 403 S HA 0.617 5.093 4.470 0.010 0.000 0.269 403 S C -1.198 173.371 174.600 -0.052 0.000 1.157 403 S CA -0.764 57.432 58.200 -0.008 0.000 0.824 403 S CB 2.491 65.689 63.200 -0.005 0.000 1.126 403 S HN -0.161 nan 8.310 nan 0.000 0.464 404 V N 0.518 120.379 119.914 -0.087 0.000 2.888 404 V HA 0.909 5.034 4.120 0.010 0.000 0.309 404 V C -1.014 174.946 176.094 -0.223 0.000 1.114 404 V CA 0.167 62.346 62.300 -0.200 0.000 0.940 404 V CB 1.953 33.610 31.823 -0.277 0.000 1.021 404 V HN 1.360 nan 8.190 nan 0.000 0.426 405 S N 3.685 119.205 115.700 -0.301 0.000 2.541 405 S HA 0.823 5.298 4.470 0.010 0.000 0.271 405 S C -1.252 173.134 174.600 -0.356 0.000 1.133 405 S CA -0.084 57.960 58.200 -0.261 0.000 0.876 405 S CB 1.990 65.072 63.200 -0.197 0.000 1.105 405 S HN 1.274 nan 8.310 nan 0.000 0.470 406 S N 1.647 117.176 115.700 -0.286 0.000 2.546 406 S HA 0.829 5.305 4.470 0.010 0.000 0.274 406 S C 0.095 174.545 174.600 -0.250 0.000 1.121 406 S CA 0.032 58.057 58.200 -0.291 0.000 0.887 406 S CB 1.269 64.422 63.200 -0.079 0.000 1.094 406 S HN 1.076 nan 8.310 nan 0.000 0.474 407 G N 1.797 110.403 108.800 -0.325 0.000 3.175 407 G HA2 0.542 4.507 3.960 0.010 0.000 0.153 407 G HA3 0.542 4.507 3.960 0.010 0.000 0.153 407 G C 1.018 175.908 174.900 -0.016 0.000 1.216 407 G CA 0.108 45.120 45.100 -0.146 0.000 0.943 407 G HN 0.971 nan 8.290 nan 0.000 0.611 408 G N -0.846 108.003 108.800 0.081 0.000 2.414 408 G HA2 0.002 3.968 3.960 0.010 0.000 0.215 408 G HA3 0.002 3.968 3.960 0.010 0.000 0.215 408 G C 1.278 176.235 174.900 0.096 0.000 1.188 408 G CA 1.139 46.288 45.100 0.082 0.000 0.783 408 G HN 0.494 nan 8.290 nan 0.000 0.537 409 Q N -0.469 119.433 119.800 0.170 0.000 2.103 409 Q HA 0.152 4.498 4.340 0.010 0.000 0.219 409 Q C -0.273 175.855 176.000 0.214 0.000 0.784 409 Q CA -0.296 55.598 55.803 0.152 0.000 1.014 409 Q CB 1.046 29.856 28.738 0.119 0.000 1.183 409 Q HN 0.780 nan 8.270 nan 0.000 0.469 410 H N -1.968 117.120 119.070 0.030 0.000 2.949 410 H HA 0.654 5.216 4.556 0.010 0.000 0.356 410 H C -1.201 174.126 175.328 -0.002 0.000 1.212 410 H CA -0.691 55.374 56.048 0.028 0.000 1.136 410 H CB 1.705 31.485 29.762 0.030 0.000 1.869 410 H HN -0.213 nan 8.280 nan 0.000 0.556 411 T N 1.217 115.675 114.554 -0.160 0.000 2.912 411 T HA 0.475 4.831 4.350 0.010 0.000 0.299 411 T C -0.825 173.756 174.700 -0.199 0.000 1.052 411 T CA -0.598 61.326 62.100 -0.293 0.000 0.996 411 T CB 1.818 70.540 68.868 -0.243 0.000 1.070 411 T HN 0.479 nan 8.240 nan 0.000 0.465 412 V N 3.593 123.360 119.914 -0.245 0.000 2.531 412 V HA 0.571 4.697 4.120 0.010 0.000 0.301 412 V C -0.671 175.338 176.094 -0.143 0.000 1.034 412 V CA -0.815 61.415 62.300 -0.118 0.000 0.865 412 V CB 1.564 33.337 31.823 -0.083 0.000 0.995 412 V HN 0.698 nan 8.190 nan 0.000 0.424 413 L N 4.750 125.922 121.223 -0.085 0.000 2.334 413 L HA 0.640 4.986 4.340 0.010 0.000 0.276 413 L C -0.839 176.009 176.870 -0.036 0.000 1.014 413 L CA -0.763 54.029 54.840 -0.080 0.000 0.815 413 L CB 1.995 44.012 42.059 -0.069 0.000 1.268 413 L HN 0.457 nan 8.230 nan 0.000 0.428 414 L N 4.209 125.413 121.223 -0.031 0.000 2.305 414 L HA 0.708 5.054 4.340 0.010 0.000 0.284 414 L C -0.414 176.453 176.870 -0.006 0.000 1.013 414 L CA -0.311 54.523 54.840 -0.010 0.000 0.819 414 L CB 1.601 43.657 42.059 -0.004 0.000 1.227 414 L HN 0.397 nan 8.230 nan 0.000 0.417 415 V N 1.884 121.796 119.914 -0.003 0.000 3.126 415 V HA 0.757 4.883 4.120 0.010 0.000 0.314 415 V C -0.937 175.158 176.094 0.002 0.000 1.138 415 V CA -0.886 61.414 62.300 -0.000 0.000 1.034 415 V CB 1.998 33.819 31.823 -0.004 0.000 1.075 415 V HN 0.837 nan 8.190 nan 0.000 0.442 416 K N 0.284 120.687 120.400 0.005 0.000 2.508 416 K HA 0.372 4.698 4.320 0.010 0.000 0.260 416 K C -1.495 175.108 176.600 0.004 0.000 0.949 416 K CA -0.650 55.640 56.287 0.005 0.000 0.834 416 K CB 2.404 34.910 32.500 0.010 0.000 1.365 416 K HN 0.937 nan 8.250 nan 0.000 0.437 417 D N 2.654 123.056 120.400 0.002 0.000 2.425 417 D HA -0.001 4.645 4.640 0.010 0.000 0.247 417 D C -0.191 176.112 176.300 0.006 0.000 1.147 417 D CA 0.360 54.361 54.000 0.002 0.000 0.879 417 D CB 0.867 41.667 40.800 0.000 0.000 1.179 417 D HN 0.322 nan 8.370 nan 0.000 0.456 418 K N 2.417 122.821 120.400 0.007 0.000 2.255 418 K HA -0.223 4.103 4.320 0.010 0.000 0.245 418 K C 0.367 176.973 176.600 0.011 0.000 1.352 418 K CA 0.447 56.739 56.287 0.010 0.000 1.315 418 K CB -0.359 32.146 32.500 0.009 0.000 0.732 418 K HN 0.367 nan 8.250 nan 0.000 0.526 419 E N 2.472 122.679 120.200 0.013 0.000 3.048 419 E HA -0.303 4.053 4.350 0.010 0.000 0.280 419 E C -0.028 176.580 176.600 0.013 0.000 0.905 419 E CA 0.975 57.383 56.400 0.014 0.000 0.977 419 E CB 0.515 30.226 29.700 0.017 0.000 0.954 419 E HN 0.612 nan 8.360 nan 0.000 0.500 420 Q N 1.871 121.678 119.800 0.012 0.000 2.378 420 Q HA 0.161 4.507 4.340 0.010 0.000 0.229 420 Q C 0.266 176.273 176.000 0.011 0.000 0.882 420 Q CA 0.043 55.852 55.803 0.010 0.000 0.936 420 Q CB 1.064 29.807 28.738 0.009 0.000 1.092 420 Q HN 0.398 nan 8.270 nan 0.000 0.535 421 S N 0.000 115.708 115.700 0.013 0.000 2.498 421 S HA 0.000 4.476 4.470 0.010 0.000 0.327 421 S CA 0.000 58.208 58.200 0.013 0.000 1.107 421 S CB 0.000 63.207 63.200 0.012 0.000 0.593 421 S HN 0.000 nan 8.310 nan 0.000 0.517