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 3ni2_1_A DATA FIRST_RESID 5 DATA SEQUENCE EEFIFRSKLP DIYIPKNLPL HSYVLENLSN HSSKPCLING ANGDVYTYAD DATA SEQUENCE VELTARRVAS GLNKIGIQQG DVIMLFLPSS PEFVLAFLGA SHRGAIITAA DATA SEQUENCE NPFSTPAELA KHAKASRAKL LITQACYYEK VKDFARESDV KVMCVDSAPD DATA SEQUENCE GCLHFSELTQ ADENEAPQVD ISPDDVVALP YSSGTTGLPK GVMLTHKGLI DATA SEQUENCE TSVAQQVDGD NPNLYFHSED VILCVLPMFH IYALNSIMLC GLRVGAPILI DATA SEQUENCE MPKFEIGSLL GLIEKYKVSI APVVPPVMMS IAKSPDLDKH DLSSLRMIKS DATA SEQUENCE GGAPLGKELE DTVRAKFPQA RLGQGYGMTE AGPVLAMCLA FAKEPFDIKP DATA SEQUENCE GACGTVVRNA EMKIVDPETG ASLPRNQPGE ICIRGDQIMK GYLNDPEATS DATA SEQUENCE RTIDKEGWLH TGDIGYIDDD DELFIVDRLK ELIKYKGFQV APAELEALLI DATA SEQUENCE AHPEISDAAV VGLKDEDAGE VPVAFVVKSE KSQATEDEIK QYISKQVIFY DATA SEQUENCE KRIKRVFFIE AIPKAPSGKI LRKNLKEK 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 5 E HA 0.000 nan 4.350 nan 0.000 0.291 5 E C 0.000 176.202 176.600 -0.664 0.000 1.382 5 E CA 0.000 56.210 56.400 -0.317 0.000 0.976 5 E CB 0.000 29.542 29.700 -0.264 0.000 0.812 6 E N -0.107 119.835 120.200 -0.431 0.000 2.442 6 E HA -0.177 4.159 4.350 -0.022 0.000 0.177 6 E C -1.383 174.894 176.600 -0.539 0.000 1.505 6 E CA 0.915 57.092 56.400 -0.373 0.000 0.662 6 E CB -1.341 28.203 29.700 -0.261 0.000 1.117 6 E HN 0.253 nan 8.360 nan 0.000 0.375 7 F N 1.523 121.393 119.950 -0.134 0.000 2.375 7 F HA 0.487 5.000 4.527 -0.022 0.000 0.361 7 F C 0.950 176.545 175.800 -0.341 0.000 1.117 7 F CA -0.598 57.242 58.000 -0.268 0.000 1.037 7 F CB 0.964 39.823 39.000 -0.236 0.000 1.192 7 F HN 0.025 nan 8.300 nan 0.000 0.452 8 I N 4.230 124.675 120.570 -0.208 0.000 2.406 8 I HA 0.376 4.533 4.170 -0.022 0.000 0.290 8 I C -0.795 175.179 176.117 -0.238 0.000 0.999 8 I CA -0.634 60.613 61.300 -0.089 0.000 1.124 8 I CB 1.340 39.397 38.000 0.095 0.000 1.289 8 I HN 0.308 nan 8.210 nan 0.000 0.441 9 F N 5.316 125.342 119.950 0.126 0.000 2.432 9 F HA 0.687 5.200 4.527 -0.023 0.000 0.329 9 F C 0.561 176.408 175.800 0.078 0.000 1.076 9 F CA -0.490 57.563 58.000 0.088 0.000 1.018 9 F CB 1.373 40.411 39.000 0.063 0.000 1.201 9 F HN 0.448 nan 8.300 nan 0.000 0.489 10 R N -0.560 120.074 120.500 0.224 0.000 2.810 10 R HA 0.669 4.996 4.340 -0.022 0.000 0.266 10 R C -0.998 175.346 176.300 0.073 0.000 1.061 10 R CA -1.088 55.085 56.100 0.121 0.000 0.943 10 R CB 1.190 31.535 30.300 0.074 0.000 1.237 10 R HN 0.502 nan 8.270 nan 0.000 0.459 11 S N -0.642 115.069 115.700 0.018 0.000 2.593 11 S HA 0.114 4.571 4.470 -0.022 0.000 0.269 11 S C 0.405 174.974 174.600 -0.051 0.000 1.334 11 S CA -0.439 57.736 58.200 -0.042 0.000 1.015 11 S CB 0.666 63.829 63.200 -0.061 0.000 0.912 11 S HN 0.638 nan 8.310 nan 0.000 0.541 12 K N 1.408 121.721 120.400 -0.145 0.000 2.418 12 K HA 0.198 4.505 4.320 -0.022 0.000 0.195 12 K C 0.024 176.598 176.600 -0.044 0.000 1.035 12 K CA 0.296 56.509 56.287 -0.123 0.000 1.003 12 K CB -0.097 32.218 32.500 -0.308 0.000 0.793 12 K HN 0.509 nan 8.250 nan 0.000 0.494 13 L N 2.582 123.757 121.223 -0.081 0.000 2.399 13 L HA 0.244 4.571 4.340 -0.022 0.000 0.266 13 L C -2.021 174.869 176.870 0.033 0.000 1.114 13 L CA -2.193 52.663 54.840 0.027 0.000 0.804 13 L CB 0.565 42.623 42.059 -0.001 0.000 1.146 13 L HN -0.065 nan 8.230 nan 0.000 0.451 14 P HA 0.134 nan 4.420 nan 0.000 0.276 14 P C -1.225 176.094 177.300 0.032 0.000 1.244 14 P CA -0.612 62.514 63.100 0.042 0.000 0.801 14 P CB 0.863 32.592 31.700 0.049 0.000 1.006 15 D N 0.368 120.783 120.400 0.025 0.000 2.382 15 D HA 0.259 4.886 4.640 -0.022 0.000 0.240 15 D C 0.548 176.869 176.300 0.035 0.000 1.146 15 D CA 0.390 54.402 54.000 0.019 0.000 0.897 15 D CB 0.205 41.012 40.800 0.012 0.000 1.197 15 D HN 0.309 nan 8.370 nan 0.000 0.432 16 I N -1.908 118.683 120.570 0.035 0.000 3.145 16 I HA 0.446 4.603 4.170 -0.022 0.000 0.313 16 I C -0.770 175.395 176.117 0.081 0.000 1.122 16 I CA -1.408 59.934 61.300 0.070 0.000 0.987 16 I CB 1.467 39.511 38.000 0.073 0.000 1.236 16 I HN 0.136 nan 8.210 nan 0.000 0.453 17 Y N 3.284 123.596 120.300 0.020 0.000 2.442 17 Y HA 0.616 5.152 4.550 -0.022 0.000 0.330 17 Y C -0.874 175.039 175.900 0.022 0.000 1.129 17 Y CA -0.066 58.044 58.100 0.018 0.000 1.365 17 Y CB 0.509 38.984 38.460 0.026 0.000 1.233 17 Y HN 0.391 nan 8.280 nan 0.000 0.529 18 I N 9.137 129.227 120.570 -0.801 0.000 2.534 18 I HA 0.297 4.453 4.170 -0.022 0.000 0.288 18 I C -2.320 173.271 176.117 -0.876 0.000 1.077 18 I CA -2.332 58.568 61.300 -0.667 0.000 1.051 18 I CB 2.206 40.002 38.000 -0.341 0.000 1.234 18 I HN 0.543 nan 8.210 nan 0.000 0.425 19 P HA 0.118 nan 4.420 nan 0.000 0.268 19 P C -0.555 176.591 177.300 -0.256 0.000 1.205 19 P CA -0.122 62.755 63.100 -0.371 0.000 0.771 19 P CB 1.076 32.722 31.700 -0.090 0.000 0.858 20 K N 1.497 121.810 120.400 -0.144 0.000 2.402 20 K HA 0.080 4.386 4.320 -0.022 0.000 0.204 20 K C 0.500 177.060 176.600 -0.066 0.000 1.056 20 K CA 0.091 56.312 56.287 -0.109 0.000 1.069 20 K CB 0.212 32.662 32.500 -0.084 0.000 0.888 20 K HN 0.435 nan 8.250 nan 0.000 0.546 21 N N 0.853 119.527 118.700 -0.044 0.000 2.517 21 N HA 0.154 4.880 4.740 -0.022 0.000 0.285 21 N C -0.751 174.734 175.510 -0.040 0.000 1.528 21 N CA -0.262 52.767 53.050 -0.034 0.000 0.892 21 N CB 0.196 38.678 38.487 -0.009 0.000 1.356 21 N HN -0.037 nan 8.380 nan 0.000 0.495 22 L N -0.315 120.874 121.223 -0.056 0.000 2.370 22 L HA 0.671 4.997 4.340 -0.022 0.000 0.266 22 L C -2.565 174.240 176.870 -0.109 0.000 1.002 22 L CA -2.209 52.593 54.840 -0.063 0.000 0.818 22 L CB 2.817 44.879 42.059 0.005 0.000 1.325 22 L HN -0.140 nan 8.230 nan 0.000 0.418 23 P HA 0.122 nan 4.420 nan 0.000 0.277 23 P C 0.354 177.593 177.300 -0.103 0.000 1.240 23 P CA -0.565 62.343 63.100 -0.320 0.000 0.798 23 P CB 0.937 32.277 31.700 -0.600 0.000 0.979 24 L N 3.023 124.443 121.223 0.328 0.000 2.012 24 L HA -0.232 4.095 4.340 -0.022 0.000 0.210 24 L C 2.366 179.345 176.870 0.182 0.000 1.073 24 L CA 2.030 57.021 54.840 0.253 0.000 0.748 24 L CB -1.354 40.853 42.059 0.247 0.000 0.891 24 L HN 0.516 nan 8.230 nan 0.000 0.431 25 H N -2.637 116.526 119.070 0.155 0.000 2.387 25 H HA -0.032 4.512 4.556 -0.020 0.000 0.299 25 H C 1.929 177.303 175.328 0.076 0.000 1.090 25 H CA 1.339 57.434 56.048 0.078 0.000 1.332 25 H CB -0.885 28.775 29.762 -0.170 0.000 1.386 25 H HN 0.383 nan 8.280 nan 0.000 0.516 26 S N 0.781 116.278 115.700 -0.337 0.000 2.383 26 S HA -0.146 4.310 4.470 -0.022 0.000 0.227 26 S C 1.951 176.580 174.600 0.048 0.000 1.026 26 S CA 1.134 59.273 58.200 -0.102 0.000 0.981 26 S CB -0.539 62.550 63.200 -0.184 0.000 0.818 26 S HN 0.554 nan 8.310 nan 0.000 0.472 27 Y N 2.851 123.131 120.300 -0.035 0.000 2.153 27 Y HA -0.111 4.430 4.550 -0.014 0.000 0.289 27 Y C 2.320 178.269 175.900 0.081 0.000 1.127 27 Y CA 1.403 59.520 58.100 0.028 0.000 1.131 27 Y CB -0.603 37.869 38.460 0.020 0.000 0.995 27 Y HN 0.111 nan 8.280 nan 0.000 0.505 28 V N -0.931 118.964 119.914 -0.033 0.000 2.759 28 V HA -0.130 3.977 4.120 -0.022 0.000 0.256 28 V C 1.503 177.609 176.094 0.021 0.000 1.080 28 V CA 1.786 64.034 62.300 -0.087 0.000 1.101 28 V CB -0.821 31.088 31.823 0.143 0.000 0.698 28 V HN 0.422 nan 8.190 nan 0.000 0.477 29 L N 0.203 121.479 121.223 0.087 0.000 2.769 29 L HA 0.303 4.630 4.340 -0.022 0.000 0.240 29 L C 2.177 179.089 176.870 0.070 0.000 1.163 29 L CA 0.472 55.400 54.840 0.147 0.000 0.962 29 L CB -0.125 42.067 42.059 0.221 0.000 1.258 29 L HN 0.389 nan 8.230 nan 0.000 0.513 30 E N 1.388 121.590 120.200 0.002 0.000 2.070 30 E HA -0.221 4.116 4.350 -0.022 0.000 0.197 30 E C 0.875 177.468 176.600 -0.011 0.000 1.004 30 E CA 1.379 57.778 56.400 -0.001 0.000 0.805 30 E CB 0.244 29.930 29.700 -0.024 0.000 0.744 30 E HN 0.456 nan 8.360 nan 0.000 0.451 31 N N 0.984 119.668 118.700 -0.026 0.000 2.327 31 N HA -0.005 4.721 4.740 -0.022 0.000 0.231 31 N C 1.154 176.515 175.510 -0.248 0.000 1.130 31 N CA -0.026 52.990 53.050 -0.056 0.000 0.845 31 N CB 0.519 39.020 38.487 0.023 0.000 1.073 31 N HN 0.211 nan 8.380 nan 0.000 0.496 32 L N 1.566 122.660 121.223 -0.215 0.000 2.043 32 L HA -0.237 4.090 4.340 -0.022 0.000 0.212 32 L C 2.212 178.828 176.870 -0.424 0.000 1.075 32 L CA 1.864 56.502 54.840 -0.337 0.000 0.752 32 L CB -0.945 41.090 42.059 -0.040 0.000 0.891 32 L HN 0.238 nan 8.230 nan 0.000 0.432 33 S N -0.989 114.577 115.700 -0.223 0.000 2.465 33 S HA -0.167 4.290 4.470 -0.022 0.000 0.241 33 S C 1.672 176.165 174.600 -0.178 0.000 1.000 33 S CA 1.241 59.351 58.200 -0.151 0.000 0.964 33 S CB -0.945 62.211 63.200 -0.073 0.000 0.763 33 S HN 0.646 nan 8.310 nan 0.000 0.512 34 N N 1.942 120.477 118.700 -0.276 0.000 2.463 34 N HA -0.023 4.703 4.740 -0.022 0.000 0.181 34 N C 0.482 175.940 175.510 -0.086 0.000 1.078 34 N CA 1.045 54.014 53.050 -0.136 0.000 0.902 34 N CB -0.168 38.311 38.487 -0.013 0.000 0.970 34 N HN 0.899 nan 8.380 nan 0.000 0.451 35 H N -2.463 116.553 119.070 -0.090 0.000 3.407 35 H HA 0.228 4.770 4.556 -0.023 0.000 0.222 35 H C 0.545 175.848 175.328 -0.042 0.000 1.357 35 H CA -0.063 55.925 56.048 -0.100 0.000 1.145 35 H CB -0.427 29.206 29.762 -0.215 0.000 2.622 35 H HN -0.043 nan 8.280 nan 0.000 0.556 36 S N 1.055 116.723 115.700 -0.053 0.000 2.399 36 S HA -0.201 4.256 4.470 -0.022 0.000 0.231 36 S C 1.913 176.601 174.600 0.146 0.000 1.022 36 S CA 1.423 59.661 58.200 0.064 0.000 0.983 36 S CB -0.325 62.888 63.200 0.021 0.000 0.803 36 S HN 0.510 nan 8.310 nan 0.000 0.480 37 S N 0.429 116.197 115.700 0.114 0.000 2.593 37 S HA 0.229 4.686 4.470 -0.022 0.000 0.217 37 S C 0.477 175.163 174.600 0.143 0.000 0.966 37 S CA -0.454 57.813 58.200 0.111 0.000 0.914 37 S CB -0.382 62.861 63.200 0.072 0.000 0.776 37 S HN 0.571 nan 8.310 nan 0.000 0.523 38 K N 2.343 122.863 120.400 0.201 0.000 2.237 38 K HA 0.297 4.604 4.320 -0.022 0.000 0.270 38 K C -2.909 173.861 176.600 0.283 0.000 1.015 38 K CA -2.133 54.285 56.287 0.218 0.000 0.949 38 K CB 0.273 32.897 32.500 0.208 0.000 0.976 38 K HN 0.020 nan 8.250 nan 0.000 0.472 39 P HA -0.038 nan 4.420 nan 0.000 0.268 39 P C -0.384 177.015 177.300 0.165 0.000 1.204 39 P CA -0.321 62.867 63.100 0.146 0.000 0.768 39 P CB 0.887 32.649 31.700 0.104 0.000 0.842 40 C N 4.336 123.635 119.300 -0.002 0.000 2.370 40 C HA 0.327 4.774 4.460 -0.022 0.000 0.348 40 C C 0.012 174.898 174.990 -0.172 0.000 1.477 40 C CA 0.088 58.922 59.018 -0.308 0.000 2.302 40 C CB -0.592 26.641 27.740 -0.845 0.000 2.220 40 C HN 0.402 nan 8.230 nan 0.000 0.625 41 L N 2.509 123.687 121.223 -0.076 0.000 2.325 41 L HA 0.614 4.941 4.340 -0.022 0.000 0.281 41 L C -1.047 175.845 176.870 0.037 0.000 1.004 41 L CA -0.188 54.634 54.840 -0.031 0.000 0.823 41 L CB 1.430 43.473 42.059 -0.027 0.000 1.236 41 L HN 0.245 nan 8.230 nan 0.000 0.415 42 I N 2.996 123.535 120.570 -0.053 0.000 2.436 42 I HA 0.284 4.441 4.170 -0.022 0.000 0.289 42 I C -0.282 175.765 176.117 -0.116 0.000 1.010 42 I CA -0.490 60.755 61.300 -0.093 0.000 1.098 42 I CB 1.968 39.812 38.000 -0.260 0.000 1.266 42 I HN 0.530 nan 8.210 nan 0.000 0.434 43 N N 4.666 123.341 118.700 -0.041 0.000 2.437 43 N HA 0.169 4.896 4.740 -0.022 0.000 0.243 43 N C 0.967 176.440 175.510 -0.062 0.000 1.041 43 N CA -0.010 53.021 53.050 -0.032 0.000 0.940 43 N CB 1.808 40.318 38.487 0.038 0.000 1.133 43 N HN 0.847 nan 8.380 nan 0.000 0.506 44 G N 2.495 111.227 108.800 -0.113 0.000 2.470 44 G HA2 -0.172 3.775 3.960 -0.022 0.000 0.220 44 G HA3 -0.172 3.775 3.960 -0.022 0.000 0.220 44 G C 1.230 176.142 174.900 0.021 0.000 1.121 44 G CA 0.872 45.923 45.100 -0.081 0.000 0.766 44 G HN 0.654 nan 8.290 nan 0.000 0.553 45 A N 1.452 124.281 122.820 0.015 0.000 1.930 45 A HA 0.031 4.338 4.320 -0.022 0.000 0.215 45 A C 1.963 179.573 177.584 0.044 0.000 1.176 45 A CA 1.805 53.862 52.037 0.032 0.000 0.632 45 A CB -0.110 18.908 19.000 0.030 0.000 0.819 45 A HN 0.515 nan 8.150 nan 0.000 0.445 46 N N -3.087 115.642 118.700 0.047 0.000 2.143 46 N HA 0.258 4.985 4.740 -0.022 0.000 0.222 46 N C 0.878 176.424 175.510 0.060 0.000 1.264 46 N CA 1.050 54.131 53.050 0.051 0.000 0.897 46 N CB 0.092 38.609 38.487 0.049 0.000 1.092 46 N HN 0.741 nan 8.380 nan 0.000 0.516 47 G N 0.073 108.918 108.800 0.074 0.000 2.176 47 G HA2 -0.269 3.678 3.960 -0.022 0.000 0.253 47 G HA3 -0.269 3.678 3.960 -0.022 0.000 0.253 47 G C -0.641 174.296 174.900 0.062 0.000 0.979 47 G CA 0.225 45.382 45.100 0.094 0.000 0.641 47 G HN 0.442 nan 8.290 nan 0.000 0.530 48 D N -0.068 120.363 120.400 0.052 0.000 2.472 48 D HA 0.420 5.046 4.640 -0.022 0.000 0.237 48 D C 0.311 176.629 176.300 0.030 0.000 1.141 48 D CA 0.810 54.831 54.000 0.036 0.000 0.875 48 D CB 1.898 42.770 40.800 0.119 0.000 1.192 48 D HN 0.579 nan 8.370 nan 0.000 0.450 49 V N 3.020 122.883 119.914 -0.086 0.000 2.888 49 V HA 0.476 4.583 4.120 -0.022 0.000 0.309 49 V C -1.894 174.046 176.094 -0.257 0.000 1.114 49 V CA -0.625 61.645 62.300 -0.049 0.000 0.940 49 V CB 1.573 33.388 31.823 -0.012 0.000 1.021 49 V HN 0.476 nan 8.190 nan 0.000 0.426 50 Y N 3.453 123.745 120.300 -0.013 0.000 2.373 50 Y HA 0.594 5.131 4.550 -0.021 0.000 0.336 50 Y C 0.727 176.607 175.900 -0.033 0.000 0.979 50 Y CA -0.418 57.671 58.100 -0.018 0.000 1.080 50 Y CB 2.359 40.801 38.460 -0.031 0.000 1.190 50 Y HN 0.818 nan 8.280 nan 0.000 0.446 51 T N -1.861 112.758 114.554 0.108 0.000 2.816 51 T HA 0.116 4.453 4.350 -0.022 0.000 0.282 51 T C 0.764 175.526 174.700 0.104 0.000 0.993 51 T CA -0.138 62.032 62.100 0.118 0.000 0.994 51 T CB 0.568 69.510 68.868 0.123 0.000 1.025 51 T HN 0.585 nan 8.240 nan 0.000 0.529 52 Y N 0.664 121.039 120.300 0.126 0.000 2.224 52 Y HA 0.004 4.540 4.550 -0.023 0.000 0.289 52 Y C 2.972 178.930 175.900 0.096 0.000 1.146 52 Y CA 1.906 60.084 58.100 0.130 0.000 1.182 52 Y CB -0.949 37.618 38.460 0.179 0.000 0.983 52 Y HN 0.846 nan 8.280 nan 0.000 0.524 53 A N -0.032 122.914 122.820 0.210 0.000 1.902 53 A HA -0.194 4.113 4.320 -0.022 0.000 0.217 53 A C 1.948 179.592 177.584 0.100 0.000 1.181 53 A CA 1.977 54.091 52.037 0.129 0.000 0.623 53 A CB -0.655 18.402 19.000 0.095 0.000 0.818 53 A HN 0.380 nan 8.150 nan 0.000 0.443 54 D N -0.156 120.309 120.400 0.108 0.000 2.117 54 D HA -0.110 4.517 4.640 -0.022 0.000 0.197 54 D C 2.098 178.468 176.300 0.117 0.000 0.987 54 D CA 1.521 55.594 54.000 0.122 0.000 0.829 54 D CB -0.452 40.455 40.800 0.178 0.000 0.961 54 D HN 0.240 nan 8.370 nan 0.000 0.460 55 V N 1.461 121.428 119.914 0.089 0.000 2.295 55 V HA -0.178 3.928 4.120 -0.022 0.000 0.246 55 V C 2.517 178.628 176.094 0.028 0.000 1.049 55 V CA 1.469 63.783 62.300 0.023 0.000 1.024 55 V CB -0.366 31.425 31.823 -0.054 0.000 0.648 55 V HN 0.157 nan 8.190 nan 0.000 0.447 56 E N 0.264 120.504 120.200 0.066 0.000 2.077 56 E HA -0.235 4.102 4.350 -0.022 0.000 0.193 56 E C 2.176 178.764 176.600 -0.020 0.000 0.989 56 E CA 1.606 58.047 56.400 0.068 0.000 0.800 56 E CB -0.226 29.542 29.700 0.113 0.000 0.746 56 E HN 0.464 nan 8.360 nan 0.000 0.452 57 L N 0.837 122.057 121.223 -0.004 0.000 2.027 57 L HA -0.090 4.237 4.340 -0.022 0.000 0.206 57 L C 2.311 179.137 176.870 -0.073 0.000 1.074 57 L CA 2.145 56.965 54.840 -0.034 0.000 0.745 57 L CB -0.969 41.090 42.059 0.001 0.000 0.898 57 L HN 0.018 nan 8.230 nan 0.000 0.433 58 T N 0.026 114.552 114.554 -0.047 0.000 2.833 58 T HA -0.109 4.228 4.350 -0.022 0.000 0.269 58 T C 1.921 176.538 174.700 -0.138 0.000 1.054 58 T CA 1.166 63.222 62.100 -0.074 0.000 1.135 58 T CB -0.492 68.356 68.868 -0.032 0.000 0.869 58 T HN 0.527 nan 8.240 nan 0.000 0.466 59 A N 1.889 124.614 122.820 -0.159 0.000 1.902 59 A HA -0.124 4.183 4.320 -0.022 0.000 0.217 59 A C 2.388 179.729 177.584 -0.405 0.000 1.181 59 A CA 1.336 53.233 52.037 -0.233 0.000 0.623 59 A CB -0.454 18.423 19.000 -0.205 0.000 0.818 59 A HN 0.400 nan 8.150 nan 0.000 0.443 60 R N -0.863 119.358 120.500 -0.466 0.000 2.092 60 R HA -0.044 4.282 4.340 -0.022 0.000 0.231 60 R C 2.450 178.629 176.300 -0.201 0.000 1.119 60 R CA 1.309 57.180 56.100 -0.381 0.000 0.970 60 R CB -0.245 29.893 30.300 -0.271 0.000 0.864 60 R HN 0.499 nan 8.270 nan 0.000 0.440 61 R N 0.090 120.491 120.500 -0.165 0.000 2.075 61 R HA -0.072 4.255 4.340 -0.022 0.000 0.232 61 R C 2.297 178.513 176.300 -0.140 0.000 1.126 61 R CA 1.243 57.267 56.100 -0.127 0.000 0.963 61 R CB -0.418 29.814 30.300 -0.112 0.000 0.858 61 R HN 0.036 nan 8.270 nan 0.000 0.435 62 V N 1.247 121.060 119.914 -0.168 0.000 2.332 62 V HA -0.282 3.825 4.120 -0.022 0.000 0.248 62 V C 2.466 178.493 176.094 -0.112 0.000 1.055 62 V CA 2.037 64.238 62.300 -0.165 0.000 1.038 62 V CB -0.733 30.997 31.823 -0.155 0.000 0.651 62 V HN 0.429 nan 8.190 nan 0.000 0.450 63 A N -0.751 122.003 122.820 -0.110 0.000 1.902 63 A HA -0.252 4.055 4.320 -0.022 0.000 0.217 63 A C 2.569 180.119 177.584 -0.056 0.000 1.181 63 A CA 2.312 54.308 52.037 -0.068 0.000 0.623 63 A CB -0.813 18.153 19.000 -0.056 0.000 0.818 63 A HN 0.503 nan 8.150 nan 0.000 0.443 64 S N -0.649 115.010 115.700 -0.068 0.000 2.368 64 S HA -0.028 4.428 4.470 -0.022 0.000 0.225 64 S C 2.042 176.612 174.600 -0.049 0.000 1.030 64 S CA 1.756 59.925 58.200 -0.051 0.000 0.999 64 S CB -0.685 62.483 63.200 -0.054 0.000 0.844 64 S HN 0.689 nan 8.310 nan 0.000 0.459 65 G N 1.381 110.141 108.800 -0.066 0.000 2.408 65 G HA2 -0.068 3.878 3.960 -0.022 0.000 0.217 65 G HA3 -0.068 3.878 3.960 -0.022 0.000 0.217 65 G C 1.439 176.314 174.900 -0.043 0.000 1.150 65 G CA 0.781 45.844 45.100 -0.062 0.000 0.776 65 G HN 0.512 nan 8.290 nan 0.000 0.542 66 L N 0.373 121.571 121.223 -0.041 0.000 2.017 66 L HA -0.110 4.217 4.340 -0.022 0.000 0.208 66 L C 2.713 179.574 176.870 -0.015 0.000 1.073 66 L CA 1.404 56.231 54.840 -0.022 0.000 0.745 66 L CB -0.425 41.621 42.059 -0.021 0.000 0.894 66 L HN 0.249 nan 8.230 nan 0.000 0.432 67 N N 0.582 119.271 118.700 -0.018 0.000 2.120 67 N HA -0.254 4.473 4.740 -0.022 0.000 0.188 67 N C 1.807 177.311 175.510 -0.011 0.000 1.024 67 N CA 1.506 54.549 53.050 -0.012 0.000 0.852 67 N CB -0.071 38.409 38.487 -0.012 0.000 1.003 67 N HN 0.133 nan 8.380 nan 0.000 0.424 68 K N 0.371 120.762 120.400 -0.015 0.000 2.103 68 K HA -0.116 4.191 4.320 -0.022 0.000 0.207 68 K C 1.559 178.154 176.600 -0.008 0.000 1.048 68 K CA 1.577 57.857 56.287 -0.013 0.000 0.930 68 K CB -0.303 32.186 32.500 -0.018 0.000 0.716 68 K HN 0.557 nan 8.250 nan 0.000 0.444 69 I N -3.520 117.046 120.570 -0.007 0.000 3.810 69 I HA 0.305 4.462 4.170 -0.022 0.000 0.322 69 I C 0.686 176.803 176.117 0.000 0.000 1.288 69 I CA 0.443 61.742 61.300 -0.002 0.000 1.143 69 I CB 0.267 38.269 38.000 0.003 0.000 1.012 69 I HN 0.292 nan 8.210 nan 0.000 0.423 70 G N 1.693 110.492 108.800 -0.001 0.000 2.176 70 G HA2 -0.171 3.776 3.960 -0.022 0.000 0.232 70 G HA3 -0.171 3.776 3.960 -0.022 0.000 0.232 70 G C 0.012 174.914 174.900 0.003 0.000 0.986 70 G CA -0.226 44.874 45.100 0.001 0.000 0.643 70 G HN 0.311 nan 8.290 nan 0.000 0.522 71 I N 1.762 122.334 120.570 0.003 0.000 2.396 71 I HA 0.325 4.481 4.170 -0.022 0.000 0.289 71 I C 0.565 176.684 176.117 0.004 0.000 1.056 71 I CA -0.112 61.191 61.300 0.005 0.000 1.365 71 I CB 0.958 38.960 38.000 0.004 0.000 1.407 71 I HN 0.143 nan 8.210 nan 0.000 0.509 72 Q N 4.272 124.077 119.800 0.007 0.000 2.195 72 Q HA 0.310 4.637 4.340 -0.022 0.000 0.250 72 Q C -0.182 175.825 176.000 0.011 0.000 0.988 72 Q CA -0.842 54.966 55.803 0.008 0.000 0.911 72 Q CB 1.386 30.129 28.738 0.009 0.000 1.258 72 Q HN 0.526 nan 8.270 nan 0.000 0.475 73 Q N -0.555 119.252 119.800 0.012 0.000 2.330 73 Q HA 0.241 4.568 4.340 -0.022 0.000 0.279 73 Q C 0.523 176.536 176.000 0.021 0.000 1.024 73 Q CA 1.241 57.054 55.803 0.017 0.000 0.900 73 Q CB 0.000 28.747 28.738 0.016 0.000 1.221 73 Q HN 0.850 nan 8.270 nan 0.000 0.396 74 G N 3.233 112.049 108.800 0.027 0.000 2.241 74 G HA2 -0.218 3.729 3.960 -0.022 0.000 0.244 74 G HA3 -0.218 3.729 3.960 -0.022 0.000 0.244 74 G C -0.379 174.539 174.900 0.030 0.000 0.998 74 G CA 0.109 45.227 45.100 0.031 0.000 0.621 74 G HN 0.708 nan 8.290 nan 0.000 0.519 75 D N 0.408 120.824 120.400 0.025 0.000 2.372 75 D HA 0.483 5.110 4.640 -0.022 0.000 0.243 75 D C 0.619 176.937 176.300 0.031 0.000 1.121 75 D CA -0.035 53.982 54.000 0.028 0.000 0.898 75 D CB 1.738 42.551 40.800 0.022 0.000 1.202 75 D HN 0.172 nan 8.370 nan 0.000 0.428 76 V N 2.868 122.808 119.914 0.044 0.000 2.481 76 V HA 0.356 4.462 4.120 -0.022 0.000 0.286 76 V C 0.466 176.588 176.094 0.047 0.000 1.042 76 V CA -0.546 61.787 62.300 0.055 0.000 0.928 76 V CB 1.144 33.019 31.823 0.086 0.000 0.986 76 V HN 0.328 nan 8.190 nan 0.000 0.462 77 I N 5.065 125.656 120.570 0.035 0.000 2.433 77 I HA 0.489 4.645 4.170 -0.022 0.000 0.292 77 I C -0.219 175.913 176.117 0.024 0.000 1.001 77 I CA -0.343 60.969 61.300 0.021 0.000 1.119 77 I CB 1.799 39.797 38.000 -0.005 0.000 1.289 77 I HN 0.550 nan 8.210 nan 0.000 0.438 78 M N 7.278 126.886 119.600 0.012 0.000 2.149 78 M HA 0.524 4.991 4.480 -0.022 0.000 0.342 78 M C -1.597 174.678 176.300 -0.041 0.000 1.068 78 M CA -0.550 54.741 55.300 -0.014 0.000 0.991 78 M CB 1.049 33.618 32.600 -0.051 0.000 1.596 78 M HN 0.468 nan 8.290 nan 0.000 0.439 79 L N 4.969 126.162 121.223 -0.050 0.000 2.307 79 L HA 0.453 4.780 4.340 -0.022 0.000 0.282 79 L C -0.910 175.995 176.870 0.059 0.000 1.051 79 L CA -0.396 54.410 54.840 -0.058 0.000 0.804 79 L CB 1.249 43.164 42.059 -0.241 0.000 1.197 79 L HN 0.725 nan 8.230 nan 0.000 0.431 80 F N 4.788 124.643 119.950 -0.159 0.000 2.577 80 F HA 0.536 5.049 4.527 -0.023 0.000 0.342 80 F C -0.876 174.801 175.800 -0.205 0.000 1.479 80 F CA -0.360 57.496 58.000 -0.240 0.000 1.110 80 F CB 0.279 39.143 39.000 -0.226 0.000 1.306 80 F HN 0.174 nan 8.300 nan 0.000 0.554 81 L N 3.066 124.231 121.223 -0.097 0.000 2.350 81 L HA 0.654 4.980 4.340 -0.022 0.000 0.260 81 L C -2.325 174.589 176.870 0.074 0.000 1.015 81 L CA -2.024 52.803 54.840 -0.021 0.000 0.821 81 L CB 2.685 44.806 42.059 0.103 0.000 1.370 81 L HN 0.021 nan 8.230 nan 0.000 0.416 82 P HA 0.169 nan 4.420 nan 0.000 0.278 82 P C -0.761 176.567 177.300 0.046 0.000 1.266 82 P CA -0.495 62.666 63.100 0.102 0.000 0.807 82 P CB 0.924 32.667 31.700 0.071 0.000 1.094 83 S N 0.181 115.830 115.700 -0.084 0.000 2.546 83 S HA 0.334 4.791 4.470 -0.022 0.000 0.290 83 S C 0.485 175.031 174.600 -0.090 0.000 1.290 83 S CA 0.303 58.364 58.200 -0.232 0.000 1.069 83 S CB -0.750 62.282 63.200 -0.279 0.000 0.846 83 S HN 0.702 nan 8.310 nan 0.000 0.495 84 S N 2.652 118.319 115.700 -0.055 0.000 2.645 84 S HA 0.398 4.855 4.470 -0.022 0.000 0.268 84 S C -3.054 171.557 174.600 0.018 0.000 1.110 84 S CA -1.173 57.027 58.200 -0.001 0.000 0.823 84 S CB 0.894 64.114 63.200 0.033 0.000 1.091 84 S HN 0.264 nan 8.310 nan 0.000 0.466 85 P HA -0.017 nan 4.420 nan 0.000 0.215 85 P C 1.055 178.310 177.300 -0.075 0.000 1.153 85 P CA 1.466 64.518 63.100 -0.079 0.000 0.853 85 P CB -0.013 31.638 31.700 -0.082 0.000 0.788 86 E N -1.371 118.817 120.200 -0.020 0.000 2.085 86 E HA -0.194 4.142 4.350 -0.022 0.000 0.194 86 E C 1.732 178.327 176.600 -0.009 0.000 0.994 86 E CA 1.087 57.473 56.400 -0.024 0.000 0.801 86 E CB -1.163 28.418 29.700 -0.199 0.000 0.743 86 E HN 0.245 nan 8.360 nan 0.000 0.453 87 F N 0.345 120.236 119.950 -0.097 0.000 2.069 87 F HA -0.259 4.254 4.527 -0.023 0.000 0.298 87 F C 2.003 177.829 175.800 0.043 0.000 1.113 87 F CA 1.206 59.184 58.000 -0.037 0.000 1.214 87 F CB -0.106 38.873 39.000 -0.036 0.000 0.978 87 F HN -0.128 nan 8.300 nan 0.000 0.474 88 V N 0.927 121.041 119.914 0.332 0.000 2.343 88 V HA -0.324 3.783 4.120 -0.022 0.000 0.247 88 V C 2.388 178.590 176.094 0.181 0.000 1.051 88 V CA 2.004 64.450 62.300 0.243 0.000 1.036 88 V CB -0.834 31.043 31.823 0.089 0.000 0.654 88 V HN 0.389 nan 8.190 nan 0.000 0.451 89 L N 0.188 121.468 121.223 0.095 0.000 2.046 89 L HA -0.155 4.172 4.340 -0.022 0.000 0.208 89 L C 2.751 179.715 176.870 0.156 0.000 1.077 89 L CA 1.592 56.481 54.840 0.082 0.000 0.747 89 L CB -0.842 41.240 42.059 0.038 0.000 0.896 89 L HN 0.361 nan 8.230 nan 0.000 0.432 90 A N -0.236 122.716 122.820 0.221 0.000 1.898 90 A HA -0.246 4.061 4.320 -0.022 0.000 0.216 90 A C 2.179 179.798 177.584 0.059 0.000 1.181 90 A CA 1.379 53.518 52.037 0.170 0.000 0.620 90 A CB -0.783 18.245 19.000 0.047 0.000 0.819 90 A HN 0.374 nan 8.150 nan 0.000 0.442 91 F N 0.592 120.496 119.950 -0.077 0.000 2.075 91 F HA -0.142 4.371 4.527 -0.024 0.000 0.297 91 F C 1.956 177.782 175.800 0.044 0.000 1.113 91 F CA 1.859 59.834 58.000 -0.042 0.000 1.218 91 F CB -0.229 38.779 39.000 0.014 0.000 0.984 91 F HN 0.131 nan 8.300 nan 0.000 0.472 92 L N -0.319 121.058 121.223 0.257 0.000 2.083 92 L HA -0.128 4.199 4.340 -0.022 0.000 0.209 92 L C 2.746 179.685 176.870 0.114 0.000 1.083 92 L CA 1.209 56.178 54.840 0.215 0.000 0.752 92 L CB -1.498 40.722 42.059 0.268 0.000 0.899 92 L HN 0.354 nan 8.230 nan 0.000 0.433 93 G N -0.432 108.390 108.800 0.037 0.000 2.402 93 G HA2 -0.212 3.734 3.960 -0.022 0.000 0.216 93 G HA3 -0.212 3.734 3.960 -0.022 0.000 0.216 93 G C 1.787 176.661 174.900 -0.043 0.000 1.162 93 G CA 0.744 45.829 45.100 -0.024 0.000 0.777 93 G HN 0.450 nan 8.290 nan 0.000 0.539 94 A N 0.603 123.369 122.820 -0.090 0.000 1.902 94 A HA -0.024 4.283 4.320 -0.022 0.000 0.217 94 A C 2.627 180.130 177.584 -0.135 0.000 1.181 94 A CA 2.305 54.269 52.037 -0.122 0.000 0.623 94 A CB -0.855 18.034 19.000 -0.185 0.000 0.818 94 A HN 0.412 nan 8.150 nan 0.000 0.443 95 S N -1.280 114.296 115.700 -0.207 0.000 2.359 95 S HA -0.225 4.231 4.470 -0.022 0.000 0.224 95 S C 2.002 176.523 174.600 -0.132 0.000 1.035 95 S CA 1.442 59.585 58.200 -0.095 0.000 1.018 95 S CB -0.641 62.538 63.200 -0.035 0.000 0.876 95 S HN 0.713 nan 8.310 nan 0.000 0.448 96 H N 0.028 118.826 119.070 -0.454 0.000 2.421 96 H HA -0.009 4.536 4.556 -0.019 0.000 0.298 96 H C 2.361 177.565 175.328 -0.207 0.000 1.087 96 H CA 1.640 57.326 56.048 -0.604 0.000 1.330 96 H CB -0.002 29.495 29.762 -0.443 0.000 1.388 96 H HN 0.273 nan 8.280 nan 0.000 0.526 97 R N 0.311 120.803 120.500 -0.014 0.000 2.240 97 R HA 0.002 4.328 4.340 -0.022 0.000 0.203 97 R C 1.181 177.489 176.300 0.013 0.000 1.011 97 R CA 0.937 57.037 56.100 -0.000 0.000 1.007 97 R CB 0.072 30.364 30.300 -0.013 0.000 0.911 97 R HN 0.400 nan 8.270 nan 0.000 0.468 98 G N -1.519 107.300 108.800 0.032 0.000 2.132 98 G HA2 -0.228 3.718 3.960 -0.022 0.000 0.234 98 G HA3 -0.228 3.718 3.960 -0.022 0.000 0.234 98 G C 0.139 175.069 174.900 0.051 0.000 0.989 98 G CA 0.194 45.331 45.100 0.062 0.000 0.676 98 G HN 0.639 nan 8.290 nan 0.000 0.522 99 A N -0.803 122.027 122.820 0.016 0.000 2.239 99 A HA 0.901 5.208 4.320 -0.022 0.000 0.303 99 A C 0.238 177.805 177.584 -0.027 0.000 1.114 99 A CA -0.352 51.683 52.037 -0.004 0.000 0.871 99 A CB 0.764 19.750 19.000 -0.022 0.000 1.201 99 A HN 0.807 nan 8.150 nan 0.000 0.506 100 I N 0.257 120.813 120.570 -0.023 0.000 2.569 100 I HA 0.344 4.500 4.170 -0.022 0.000 0.296 100 I C -0.896 175.207 176.117 -0.023 0.000 1.028 100 I CA -0.450 60.833 61.300 -0.028 0.000 1.082 100 I CB 1.775 39.789 38.000 0.024 0.000 1.264 100 I HN 0.334 nan 8.210 nan 0.000 0.429 101 I N 3.834 124.389 120.570 -0.025 0.000 2.354 101 I HA 0.348 4.505 4.170 -0.022 0.000 0.292 101 I C 0.115 176.334 176.117 0.170 0.000 0.989 101 I CA -0.085 61.242 61.300 0.044 0.000 1.188 101 I CB 1.594 39.626 38.000 0.053 0.000 1.342 101 I HN 0.534 nan 8.210 nan 0.000 0.457 102 T N 5.096 119.758 114.554 0.181 0.000 2.908 102 T HA 0.886 5.223 4.350 -0.022 0.000 0.290 102 T C -0.922 173.915 174.700 0.228 0.000 1.034 102 T CA -0.405 61.876 62.100 0.300 0.000 1.010 102 T CB 1.762 70.875 68.868 0.408 0.000 1.068 102 T HN 0.779 nan 8.240 nan 0.000 0.481 103 A N 1.673 124.665 122.820 0.288 0.000 2.572 103 A HA 0.940 5.247 4.320 -0.022 0.000 0.295 103 A C -1.016 176.605 177.584 0.061 0.000 1.072 103 A CA -0.468 51.671 52.037 0.169 0.000 0.691 103 A CB 1.481 20.724 19.000 0.404 0.000 1.291 103 A HN 1.321 nan 8.150 nan 0.000 0.404 104 A N 1.096 123.822 122.820 -0.155 0.000 2.469 104 A HA 0.731 5.038 4.320 -0.022 0.000 0.299 104 A C -0.453 176.667 177.584 -0.774 0.000 1.098 104 A CA -0.761 51.097 52.037 -0.298 0.000 0.737 104 A CB 1.008 19.831 19.000 -0.295 0.000 1.312 104 A HN 0.881 nan 8.150 nan 0.000 0.414 105 N N 1.747 119.812 118.700 -1.058 0.000 2.447 105 N HA 0.077 4.803 4.740 -0.022 0.000 0.263 105 N C -1.495 173.286 175.510 -1.216 0.000 1.226 105 N CA -1.315 50.818 53.050 -1.529 0.000 0.906 105 N CB 1.100 39.201 38.487 -0.643 0.000 1.060 105 N HN 0.327 nan 8.380 nan 0.000 0.468 106 P HA -0.099 nan 4.420 nan 0.000 0.225 106 P C 0.572 176.865 177.300 -1.678 0.000 1.148 106 P CA 1.040 62.786 63.100 -2.257 0.000 0.779 106 P CB -0.038 30.351 31.700 -2.184 0.000 0.780 107 F N 0.021 119.580 119.950 -0.651 0.000 2.773 107 F HA 0.128 4.642 4.527 -0.022 0.000 0.304 107 F C 1.379 177.096 175.800 -0.138 0.000 1.129 107 F CA -0.071 57.792 58.000 -0.228 0.000 1.378 107 F CB -0.770 38.257 39.000 0.044 0.000 1.095 107 F HN -0.223 nan 8.300 nan 0.000 0.565 108 S N 0.119 115.764 115.700 -0.093 0.000 2.579 108 S HA 0.205 4.662 4.470 -0.022 0.000 0.275 108 S C 0.802 175.452 174.600 0.082 0.000 1.345 108 S CA -0.433 57.768 58.200 0.002 0.000 1.031 108 S CB 0.573 63.815 63.200 0.069 0.000 0.892 108 S HN 0.394 nan 8.310 nan 0.000 0.529 109 T N 0.174 114.727 114.554 -0.003 0.000 2.788 109 T HA 0.259 4.596 4.350 -0.022 0.000 0.287 109 T C -2.150 172.524 174.700 -0.043 0.000 1.007 109 T CA -1.605 60.487 62.100 -0.013 0.000 1.005 109 T CB 0.200 69.030 68.868 -0.065 0.000 1.012 109 T HN 0.185 nan 8.240 nan 0.000 0.530 110 P HA -0.012 nan 4.420 nan 0.000 0.218 110 P C 1.593 178.802 177.300 -0.152 0.000 1.148 110 P CA 1.390 64.427 63.100 -0.106 0.000 0.822 110 P CB -0.271 31.386 31.700 -0.071 0.000 0.784 111 A N -0.072 122.672 122.820 -0.125 0.000 1.898 111 A HA -0.215 4.092 4.320 -0.022 0.000 0.216 111 A C 2.116 179.600 177.584 -0.167 0.000 1.181 111 A CA 1.577 53.532 52.037 -0.138 0.000 0.620 111 A CB -1.108 17.822 19.000 -0.117 0.000 0.819 111 A HN 0.171 nan 8.150 nan 0.000 0.442 112 E N -0.377 119.733 120.200 -0.150 0.000 2.072 112 E HA -0.145 4.191 4.350 -0.022 0.000 0.191 112 E C 2.042 178.532 176.600 -0.185 0.000 0.985 112 E CA 1.094 57.408 56.400 -0.143 0.000 0.801 112 E CB -0.292 29.341 29.700 -0.110 0.000 0.750 112 E HN 0.654 nan 8.360 nan 0.000 0.452 113 L N 0.710 121.783 121.223 -0.250 0.000 2.046 113 L HA -0.174 4.152 4.340 -0.022 0.000 0.208 113 L C 2.377 178.915 176.870 -0.552 0.000 1.077 113 L CA 1.561 56.141 54.840 -0.435 0.000 0.747 113 L CB -0.229 41.451 42.059 -0.631 0.000 0.896 113 L HN 0.092 nan 8.230 nan 0.000 0.432 114 A N 0.058 122.518 122.820 -0.599 0.000 1.898 114 A HA -0.214 4.093 4.320 -0.022 0.000 0.216 114 A C 2.261 179.486 177.584 -0.598 0.000 1.181 114 A CA 1.857 53.330 52.037 -0.940 0.000 0.620 114 A CB -0.437 18.185 19.000 -0.631 0.000 0.819 114 A HN 0.494 nan 8.150 nan 0.000 0.442 115 K N -1.412 118.785 120.400 -0.338 0.000 2.057 115 K HA -0.197 4.110 4.320 -0.022 0.000 0.207 115 K C 2.046 178.516 176.600 -0.216 0.000 1.049 115 K CA 1.707 57.862 56.287 -0.220 0.000 0.931 115 K CB -0.358 32.043 32.500 -0.166 0.000 0.714 115 K HN 0.791 nan 8.250 nan 0.000 0.440 116 H N 0.146 119.001 119.070 -0.360 0.000 2.321 116 H HA -0.074 4.469 4.556 -0.023 0.000 0.300 116 H C 2.003 177.146 175.328 -0.309 0.000 1.087 116 H CA 1.492 57.295 56.048 -0.409 0.000 1.319 116 H CB 0.107 29.630 29.762 -0.398 0.000 1.379 116 H HN 0.250 nan 8.280 nan 0.000 0.501 117 A N 0.894 123.630 122.820 -0.141 0.000 1.902 117 A HA -0.185 4.121 4.320 -0.022 0.000 0.217 117 A C 2.212 179.802 177.584 0.010 0.000 1.181 117 A CA 1.818 53.801 52.037 -0.089 0.000 0.623 117 A CB -0.327 18.522 19.000 -0.251 0.000 0.818 117 A HN 0.462 nan 8.150 nan 0.000 0.443 118 K N -0.387 119.976 120.400 -0.062 0.000 2.025 118 K HA 0.015 4.322 4.320 -0.022 0.000 0.207 118 K C 2.321 178.944 176.600 0.038 0.000 1.049 118 K CA 1.072 57.384 56.287 0.041 0.000 0.933 118 K CB -0.314 32.197 32.500 0.017 0.000 0.714 118 K HN 0.415 nan 8.250 nan 0.000 0.438 119 A N 1.466 124.283 122.820 -0.004 0.000 1.930 119 A HA -0.148 4.159 4.320 -0.022 0.000 0.217 119 A C 2.120 179.773 177.584 0.114 0.000 1.175 119 A CA 2.037 54.099 52.037 0.041 0.000 0.627 119 A CB -0.494 18.512 19.000 0.011 0.000 0.815 119 A HN 0.382 nan 8.150 nan 0.000 0.443 120 S N -2.507 113.265 115.700 0.121 0.000 2.558 120 S HA 0.171 4.627 4.470 -0.022 0.000 0.217 120 S C 0.821 175.503 174.600 0.137 0.000 0.975 120 S CA 0.547 58.861 58.200 0.190 0.000 0.912 120 S CB -0.022 63.335 63.200 0.262 0.000 0.776 120 S HN 0.403 nan 8.310 nan 0.000 0.526 121 R N 0.681 121.247 120.500 0.111 0.000 3.531 121 R HA -0.102 4.225 4.340 -0.022 0.000 0.280 121 R C 0.204 176.563 176.300 0.097 0.000 1.130 121 R CA 0.712 56.870 56.100 0.097 0.000 0.757 121 R CB -2.752 27.596 30.300 0.079 0.000 1.218 121 R HN 0.715 nan 8.270 nan 0.000 0.454 122 A N 0.775 123.662 122.820 0.112 0.000 2.546 122 A HA 0.185 4.491 4.320 -0.022 0.000 0.243 122 A C 1.008 178.642 177.584 0.084 0.000 1.063 122 A CA 0.287 52.382 52.037 0.097 0.000 0.757 122 A CB 0.339 19.395 19.000 0.093 0.000 0.991 122 A HN 0.214 nan 8.150 nan 0.000 0.503 123 K N 0.657 121.092 120.400 0.059 0.000 2.354 123 K HA 0.219 4.526 4.320 -0.022 0.000 0.194 123 K C -0.433 176.188 176.600 0.035 0.000 1.038 123 K CA 0.307 56.619 56.287 0.041 0.000 1.052 123 K CB 0.071 32.589 32.500 0.030 0.000 0.861 123 K HN 0.583 nan 8.250 nan 0.000 0.535 124 L N 0.684 121.931 121.223 0.040 0.000 2.482 124 L HA 0.435 4.761 4.340 -0.022 0.000 0.263 124 L C -2.002 174.888 176.870 0.034 0.000 0.957 124 L CA -0.811 54.050 54.840 0.035 0.000 0.836 124 L CB 1.678 43.755 42.059 0.030 0.000 1.324 124 L HN -0.229 nan 8.230 nan 0.000 0.406 125 L N 5.650 126.895 121.223 0.037 0.000 2.333 125 L HA 0.614 4.941 4.340 -0.022 0.000 0.280 125 L C -0.669 176.219 176.870 0.030 0.000 1.004 125 L CA -0.107 54.745 54.840 0.019 0.000 0.820 125 L CB 1.724 43.792 42.059 0.016 0.000 1.247 125 L HN 0.471 nan 8.230 nan 0.000 0.416 126 I N 2.210 122.785 120.570 0.009 0.000 2.406 126 I HA 0.631 4.788 4.170 -0.022 0.000 0.290 126 I C 0.168 176.292 176.117 0.013 0.000 0.999 126 I CA -0.134 61.156 61.300 -0.016 0.000 1.124 126 I CB 1.991 39.933 38.000 -0.098 0.000 1.289 126 I HN 0.599 nan 8.210 nan 0.000 0.441 127 T N 4.063 118.647 114.554 0.049 0.000 2.598 127 T HA 0.376 4.712 4.350 -0.022 0.000 0.289 127 T C -1.419 173.345 174.700 0.107 0.000 1.056 127 T CA -0.384 61.801 62.100 0.141 0.000 1.088 127 T CB 1.806 70.882 68.868 0.347 0.000 1.519 127 T HN 0.597 nan 8.240 nan 0.000 0.488 128 Q N -0.022 119.909 119.800 0.218 0.000 2.257 128 Q HA 0.665 4.992 4.340 -0.022 0.000 0.262 128 Q C 0.910 176.966 176.000 0.093 0.000 0.997 128 Q CA -0.325 55.543 55.803 0.110 0.000 0.873 128 Q CB 1.768 30.550 28.738 0.072 0.000 1.312 128 Q HN 0.790 nan 8.270 nan 0.000 0.450 129 A N 0.740 123.573 122.820 0.022 0.000 1.978 129 A HA -0.203 4.104 4.320 -0.022 0.000 0.220 129 A C 1.964 179.551 177.584 0.006 0.000 1.170 129 A CA 1.988 54.046 52.037 0.034 0.000 0.636 129 A CB -1.059 17.940 19.000 -0.001 0.000 0.810 129 A HN 0.969 nan 8.150 nan 0.000 0.448 130 C N -3.154 116.038 119.300 -0.181 0.000 2.449 130 C HA 0.096 4.543 4.460 -0.022 0.000 0.283 130 C C 1.898 176.698 174.990 -0.317 0.000 1.453 130 C CA 0.485 59.320 59.018 -0.304 0.000 1.779 130 C CB -1.975 25.468 27.740 -0.496 0.000 1.779 130 C HN 0.578 nan 8.230 nan 0.000 0.546 131 Y N -2.026 118.330 120.300 0.094 0.000 2.444 131 Y HA 0.201 4.738 4.550 -0.022 0.000 0.249 131 Y C 2.165 178.177 175.900 0.186 0.000 1.134 131 Y CA -0.503 57.674 58.100 0.130 0.000 1.261 131 Y CB -1.056 37.475 38.460 0.118 0.000 1.143 131 Y HN 0.284 nan 8.280 nan 0.000 0.523 132 Y N 2.630 123.034 120.300 0.172 0.000 2.193 132 Y HA -0.313 4.223 4.550 -0.023 0.000 0.285 132 Y C 2.251 178.202 175.900 0.083 0.000 1.166 132 Y CA 2.142 60.310 58.100 0.113 0.000 1.181 132 Y CB -0.239 38.260 38.460 0.066 0.000 0.976 132 Y HN 0.421 nan 8.280 nan 0.000 0.520 133 E N -0.056 120.118 120.200 -0.042 0.000 2.160 133 E HA -0.241 4.095 4.350 -0.022 0.000 0.195 133 E C 1.725 178.238 176.600 -0.144 0.000 0.991 133 E CA 1.725 58.049 56.400 -0.127 0.000 0.810 133 E CB -0.456 29.247 29.700 0.006 0.000 0.742 133 E HN 0.459 nan 8.360 nan 0.000 0.466 134 K N 0.377 120.745 120.400 -0.053 0.000 2.432 134 K HA 0.031 4.337 4.320 -0.022 0.000 0.196 134 K C 1.663 178.178 176.600 -0.142 0.000 1.038 134 K CA 0.764 57.024 56.287 -0.044 0.000 0.986 134 K CB 0.623 33.172 32.500 0.081 0.000 0.782 134 K HN 0.105 nan 8.250 nan 0.000 0.485 135 V N 0.306 120.084 119.914 -0.227 0.000 3.556 135 V HA 0.014 4.120 4.120 -0.022 0.000 0.287 135 V C 1.845 177.797 176.094 -0.237 0.000 1.422 135 V CA 0.233 62.411 62.300 -0.203 0.000 1.038 135 V CB 0.148 31.854 31.823 -0.195 0.000 0.850 135 V HN 0.110 nan 8.190 nan 0.000 0.437 136 K N 0.519 120.630 120.400 -0.481 0.000 2.000 136 K HA -0.261 4.046 4.320 -0.022 0.000 0.218 136 K C 1.709 178.209 176.600 -0.166 0.000 1.053 136 K CA 2.561 58.567 56.287 -0.468 0.000 0.946 136 K CB -0.326 31.904 32.500 -0.451 0.000 0.723 136 K HN 0.534 nan 8.250 nan 0.000 0.446 137 D N -0.004 120.335 120.400 -0.102 0.000 2.106 137 D HA -0.205 4.422 4.640 -0.022 0.000 0.191 137 D C 1.822 178.120 176.300 -0.004 0.000 0.997 137 D CA 1.341 55.319 54.000 -0.037 0.000 0.834 137 D CB -0.421 40.370 40.800 -0.015 0.000 0.956 137 D HN 0.251 nan 8.370 nan 0.000 0.448 138 F N 1.898 121.779 119.950 -0.116 0.000 2.095 138 F HA -0.165 4.349 4.527 -0.023 0.000 0.298 138 F C 2.218 177.970 175.800 -0.080 0.000 1.104 138 F CA 1.513 59.453 58.000 -0.100 0.000 1.232 138 F CB -0.590 38.332 39.000 -0.129 0.000 0.987 138 F HN -0.061 nan 8.300 nan 0.000 0.475 139 A N 1.163 123.858 122.820 -0.210 0.000 1.848 139 A HA -0.225 4.082 4.320 -0.022 0.000 0.217 139 A C 1.584 179.022 177.584 -0.243 0.000 1.220 139 A CA 1.620 53.510 52.037 -0.245 0.000 0.645 139 A CB -0.904 18.076 19.000 -0.034 0.000 0.842 139 A HN 0.323 nan 8.150 nan 0.000 0.451 140 R N 0.414 120.839 120.500 -0.125 0.000 4.576 140 R HA 0.193 4.519 4.340 -0.022 0.000 0.185 140 R C 0.306 176.534 176.300 -0.119 0.000 1.837 140 R CA 0.919 56.964 56.100 -0.092 0.000 1.520 140 R CB -0.814 29.467 30.300 -0.031 0.000 1.403 140 R HN 0.880 nan 8.270 nan 0.000 0.831 141 E N -1.238 118.847 120.200 -0.192 0.000 1.837 141 E HA -0.084 4.252 4.350 -0.022 0.000 0.194 141 E C 0.056 176.517 176.600 -0.231 0.000 0.926 141 E CA 0.418 56.716 56.400 -0.169 0.000 1.221 141 E CB 0.033 29.656 29.700 -0.129 0.000 3.585 141 E HN 0.281 nan 8.360 nan 0.000 0.813 142 S N -0.389 115.074 115.700 -0.394 0.000 2.666 142 S HA 0.195 4.652 4.470 -0.022 0.000 0.239 142 S C 0.250 174.689 174.600 -0.269 0.000 1.031 142 S CA 0.324 58.285 58.200 -0.398 0.000 1.015 142 S CB 0.492 63.195 63.200 -0.829 0.000 0.981 142 S HN 0.214 nan 8.310 nan 0.000 0.547 143 D N 0.640 120.906 120.400 -0.223 0.000 3.041 143 D HA -0.110 4.517 4.640 -0.022 0.000 0.220 143 D C -0.490 175.739 176.300 -0.118 0.000 1.157 143 D CA 0.612 54.531 54.000 -0.133 0.000 0.876 143 D CB -1.828 38.920 40.800 -0.086 0.000 1.107 143 D HN 0.426 nan 8.370 nan 0.000 0.422 144 V N 0.658 120.467 119.914 -0.175 0.000 2.509 144 V HA 0.151 4.258 4.120 -0.022 0.000 0.284 144 V C 0.996 177.060 176.094 -0.049 0.000 1.047 144 V CA -0.450 61.794 62.300 -0.094 0.000 0.952 144 V CB 1.829 33.603 31.823 -0.082 0.000 0.988 144 V HN -0.069 nan 8.190 nan 0.000 0.469 145 K N 2.913 123.309 120.400 -0.007 0.000 2.298 145 K HA 0.511 4.817 4.320 -0.022 0.000 0.280 145 K C -0.872 175.751 176.600 0.039 0.000 1.032 145 K CA -0.291 56.004 56.287 0.013 0.000 0.958 145 K CB 1.310 33.819 32.500 0.016 0.000 0.978 145 K HN 0.445 nan 8.250 nan 0.000 0.472 146 V N 4.266 124.216 119.914 0.060 0.000 2.555 146 V HA 0.457 4.563 4.120 -0.022 0.000 0.302 146 V C -0.372 175.762 176.094 0.067 0.000 1.038 146 V CA -0.881 61.478 62.300 0.097 0.000 0.887 146 V CB 1.593 33.540 31.823 0.206 0.000 0.991 146 V HN 0.800 nan 8.190 nan 0.000 0.434 147 M N 4.211 123.849 119.600 0.064 0.000 2.457 147 M HA 0.676 5.143 4.480 -0.022 0.000 0.300 147 M C -1.705 174.610 176.300 0.024 0.000 1.141 147 M CA -0.070 55.257 55.300 0.045 0.000 0.901 147 M CB 1.898 34.540 32.600 0.070 0.000 1.687 147 M HN 0.730 nan 8.290 nan 0.000 0.449 148 C N 2.795 122.094 119.300 -0.003 0.000 2.561 148 C HA 0.552 4.999 4.460 -0.022 0.000 0.319 148 C C 1.517 176.439 174.990 -0.114 0.000 1.198 148 C CA -0.734 58.270 59.018 -0.025 0.000 1.665 148 C CB 1.703 29.440 27.740 -0.005 0.000 2.258 148 C HN 0.814 nan 8.230 nan 0.000 0.493 149 V N -0.275 119.558 119.914 -0.135 0.000 2.878 149 V HA 0.060 4.167 4.120 -0.022 0.000 0.250 149 V C 1.117 177.187 176.094 -0.039 0.000 1.075 149 V CA 1.800 63.991 62.300 -0.182 0.000 1.096 149 V CB -0.589 31.106 31.823 -0.213 0.000 0.724 149 V HN 0.921 nan 8.190 nan 0.000 0.467 150 D N 2.194 122.632 120.400 0.063 0.000 2.685 150 D HA 0.144 4.771 4.640 -0.022 0.000 0.254 150 D C 1.266 177.705 176.300 0.232 0.000 1.414 150 D CA 0.941 55.036 54.000 0.158 0.000 1.145 150 D CB -0.795 40.047 40.800 0.068 0.000 0.941 150 D HN 0.579 nan 8.370 nan 0.000 0.250 151 S N -0.691 115.074 115.700 0.109 0.000 2.669 151 S HA 0.628 5.084 4.470 -0.022 0.000 0.270 151 S C 0.016 174.661 174.600 0.075 0.000 1.225 151 S CA -0.495 57.748 58.200 0.070 0.000 0.991 151 S CB 1.315 64.523 63.200 0.013 0.000 0.987 151 S HN 0.701 nan 8.310 nan 0.000 0.552 152 A N 2.025 124.859 122.820 0.024 0.000 2.938 152 A HA 0.538 4.844 4.320 -0.022 0.000 0.344 152 A C -2.326 175.180 177.584 -0.131 0.000 1.142 152 A CA -1.651 50.370 52.037 -0.026 0.000 0.841 152 A CB -0.302 18.723 19.000 0.041 0.000 1.083 152 A HN 0.718 nan 8.150 nan 0.000 0.479 153 P HA 0.175 nan 4.420 nan 0.000 0.267 153 P C -0.091 177.019 177.300 -0.318 0.000 1.200 153 P CA 0.592 63.538 63.100 -0.257 0.000 0.772 153 P CB 0.703 32.232 31.700 -0.286 0.000 0.855 154 D N 1.259 121.581 120.400 -0.129 0.000 3.393 154 D HA -0.196 4.430 4.640 -0.022 0.000 0.178 154 D C 1.165 177.424 176.300 -0.068 0.000 1.201 154 D CA 2.381 56.349 54.000 -0.054 0.000 1.086 154 D CB -1.717 39.096 40.800 0.022 0.000 0.568 154 D HN 0.613 nan 8.370 nan 0.000 0.637 155 G N -0.574 108.201 108.800 -0.042 0.000 3.707 155 G HA2 0.413 4.359 3.960 -0.022 0.000 0.286 155 G HA3 0.413 4.359 3.960 -0.022 0.000 0.286 155 G C 0.575 175.452 174.900 -0.039 0.000 1.112 155 G CA 0.328 45.409 45.100 -0.031 0.000 0.861 155 G HN 0.805 nan 8.290 nan 0.000 0.534 156 C N -0.104 119.137 119.300 -0.099 0.000 2.656 156 C HA 0.717 5.164 4.460 -0.022 0.000 0.391 156 C C 1.069 176.044 174.990 -0.025 0.000 1.300 156 C CA -1.408 57.563 59.018 -0.079 0.000 2.302 156 C CB -0.025 27.594 27.740 -0.201 0.000 2.655 156 C HN 0.249 nan 8.230 nan 0.000 0.656 157 L N 1.235 122.466 121.223 0.014 0.000 2.475 157 L HA 0.347 4.674 4.340 -0.022 0.000 0.253 157 L C 0.330 177.261 176.870 0.102 0.000 1.198 157 L CA -0.060 54.812 54.840 0.054 0.000 0.814 157 L CB 0.123 42.213 42.059 0.052 0.000 1.134 157 L HN 0.838 nan 8.230 nan 0.000 0.478 158 H N -0.965 118.126 119.070 0.035 0.000 2.524 158 H HA 0.171 4.714 4.556 -0.022 0.000 0.353 158 H C 0.169 175.579 175.328 0.136 0.000 1.136 158 H CA -0.577 55.513 56.048 0.070 0.000 1.193 158 H CB 1.201 30.988 29.762 0.042 0.000 1.558 158 H HN 0.417 nan 8.280 nan 0.000 0.515 159 F N 2.390 122.022 119.950 -0.530 0.000 2.307 159 F HA -0.174 4.339 4.527 -0.023 0.000 0.301 159 F C 2.203 177.919 175.800 -0.140 0.000 1.076 159 F CA 1.789 59.614 58.000 -0.292 0.000 1.383 159 F CB -0.373 38.447 39.000 -0.301 0.000 1.055 159 F HN 0.616 nan 8.300 nan 0.000 0.526 160 S N -0.782 114.906 115.700 -0.020 0.000 2.474 160 S HA -0.181 4.276 4.470 -0.022 0.000 0.235 160 S C 1.686 176.268 174.600 -0.030 0.000 0.997 160 S CA 1.108 59.334 58.200 0.043 0.000 0.949 160 S CB -0.726 62.652 63.200 0.298 0.000 0.766 160 S HN 0.605 nan 8.310 nan 0.000 0.517 161 E N 0.830 121.031 120.200 0.001 0.000 2.338 161 E HA 0.019 4.356 4.350 -0.022 0.000 0.197 161 E C 1.665 178.208 176.600 -0.096 0.000 1.007 161 E CA 0.954 57.342 56.400 -0.021 0.000 0.849 161 E CB -0.210 29.500 29.700 0.018 0.000 0.774 161 E HN 0.603 nan 8.360 nan 0.000 0.506 162 L N -0.313 120.783 121.223 -0.210 0.000 2.347 162 L HA -0.015 4.311 4.340 -0.022 0.000 0.196 162 L C 2.760 179.432 176.870 -0.330 0.000 1.072 162 L CA 1.179 55.853 54.840 -0.277 0.000 0.817 162 L CB -0.669 41.169 42.059 -0.368 0.000 1.029 162 L HN 0.153 nan 8.230 nan 0.000 0.478 163 T N -2.879 111.379 114.554 -0.494 0.000 2.929 163 T HA -0.144 4.193 4.350 -0.022 0.000 0.271 163 T C 1.493 176.093 174.700 -0.166 0.000 1.085 163 T CA 0.865 62.754 62.100 -0.352 0.000 1.125 163 T CB -0.086 68.561 68.868 -0.369 0.000 0.874 163 T HN 0.176 nan 8.240 nan 0.000 0.494 164 Q N 0.662 120.385 119.800 -0.128 0.000 2.198 164 Q HA 0.568 4.895 4.340 -0.022 0.000 0.209 164 Q C 0.676 176.641 176.000 -0.059 0.000 0.848 164 Q CA -0.077 55.688 55.803 -0.065 0.000 0.974 164 Q CB 0.432 29.152 28.738 -0.030 0.000 1.115 164 Q HN 0.723 nan 8.270 nan 0.000 0.494 165 A N 1.165 123.937 122.820 -0.080 0.000 2.346 165 A HA 0.129 4.436 4.320 -0.022 0.000 0.252 165 A C 0.063 177.615 177.584 -0.053 0.000 1.089 165 A CA -0.321 51.678 52.037 -0.063 0.000 0.797 165 A CB 0.254 19.209 19.000 -0.074 0.000 1.047 165 A HN 0.062 nan 8.150 nan 0.000 0.494 166 D N 0.485 120.860 120.400 -0.041 0.000 2.338 166 D HA 0.041 4.668 4.640 -0.022 0.000 0.255 166 D C 1.433 177.710 176.300 -0.039 0.000 1.237 166 D CA -0.036 53.944 54.000 -0.034 0.000 0.883 166 D CB 0.668 41.454 40.800 -0.024 0.000 1.087 166 D HN 0.564 nan 8.370 nan 0.000 0.485 167 E N 3.366 123.540 120.200 -0.042 0.000 2.209 167 E HA -0.244 4.092 4.350 -0.022 0.000 0.196 167 E C 0.528 177.109 176.600 -0.031 0.000 0.993 167 E CA 0.960 57.331 56.400 -0.048 0.000 0.819 167 E CB -0.487 29.183 29.700 -0.050 0.000 0.745 167 E HN 0.575 nan 8.360 nan 0.000 0.477 168 N N 0.558 119.245 118.700 -0.022 0.000 2.520 168 N HA -0.101 4.626 4.740 -0.022 0.000 0.185 168 N C 1.043 176.546 175.510 -0.012 0.000 1.068 168 N CA 0.648 53.691 53.050 -0.013 0.000 0.911 168 N CB 0.043 38.525 38.487 -0.010 0.000 0.961 168 N HN 0.098 nan 8.380 nan 0.000 0.446 169 E N 0.420 120.610 120.200 -0.018 0.000 2.481 169 E HA 0.250 4.587 4.350 -0.022 0.000 0.198 169 E C -0.312 176.278 176.600 -0.017 0.000 1.027 169 E CA -0.310 56.081 56.400 -0.015 0.000 0.900 169 E CB 0.333 30.022 29.700 -0.018 0.000 0.993 169 E HN 0.238 nan 8.360 nan 0.000 0.482 170 A N 2.749 125.557 122.820 -0.021 0.000 2.548 170 A HA 0.184 4.491 4.320 -0.022 0.000 0.247 170 A C -2.001 175.581 177.584 -0.004 0.000 1.067 170 A CA -0.938 51.087 52.037 -0.020 0.000 0.757 170 A CB -0.339 18.645 19.000 -0.026 0.000 0.996 170 A HN 0.064 nan 8.150 nan 0.000 0.504 171 P HA 0.097 nan 4.420 nan 0.000 0.269 171 P C -0.603 176.707 177.300 0.016 0.000 1.209 171 P CA -0.182 62.921 63.100 0.006 0.000 0.776 171 P CB 0.576 32.278 31.700 0.003 0.000 0.876 172 Q N 1.994 121.804 119.800 0.016 0.000 2.296 172 Q HA 0.339 4.666 4.340 -0.022 0.000 0.263 172 Q C -0.553 175.459 176.000 0.020 0.000 1.026 172 Q CA -0.188 55.628 55.803 0.022 0.000 0.912 172 Q CB -0.071 28.677 28.738 0.017 0.000 1.198 172 Q HN 0.367 nan 8.270 nan 0.000 0.407 173 V N 0.604 120.535 119.914 0.027 0.000 2.680 173 V HA 0.656 4.762 4.120 -0.022 0.000 0.309 173 V C -0.882 175.220 176.094 0.013 0.000 1.052 173 V CA -0.926 61.386 62.300 0.020 0.000 0.908 173 V CB 2.414 34.252 31.823 0.024 0.000 1.001 173 V HN 0.649 nan 8.190 nan 0.000 0.431 174 D N 4.792 125.191 120.400 -0.001 0.000 2.427 174 D HA 0.515 5.142 4.640 -0.022 0.000 0.226 174 D C -0.435 175.843 176.300 -0.036 0.000 1.076 174 D CA 0.161 54.152 54.000 -0.015 0.000 0.849 174 D CB 2.018 42.811 40.800 -0.012 0.000 1.052 174 D HN 0.582 nan 8.370 nan 0.000 0.515 175 I N 1.328 121.856 120.570 -0.070 0.000 2.336 175 I HA 0.087 4.243 4.170 -0.022 0.000 0.292 175 I C 0.778 176.794 176.117 -0.168 0.000 0.991 175 I CA -0.478 60.736 61.300 -0.143 0.000 1.227 175 I CB 1.670 39.522 38.000 -0.247 0.000 1.366 175 I HN 0.119 nan 8.210 nan 0.000 0.466 176 S N 6.931 122.553 115.700 -0.131 0.000 2.562 176 S HA 0.358 4.814 4.470 -0.022 0.000 0.275 176 S C -1.722 172.808 174.600 -0.117 0.000 1.281 176 S CA -1.373 56.770 58.200 -0.096 0.000 1.045 176 S CB 1.283 64.456 63.200 -0.045 0.000 0.962 176 S HN 0.341 nan 8.310 nan 0.000 0.503 177 P HA -0.004 nan 4.420 nan 0.000 0.222 177 P C 0.203 177.515 177.300 0.021 0.000 1.147 177 P CA 0.846 63.921 63.100 -0.042 0.000 0.790 177 P CB 0.108 31.778 31.700 -0.049 0.000 0.780 178 D N -1.239 119.163 120.400 0.004 0.000 2.340 178 D HA 0.010 4.636 4.640 -0.022 0.000 0.220 178 D C 0.048 176.376 176.300 0.047 0.000 1.039 178 D CA 0.571 54.581 54.000 0.017 0.000 0.866 178 D CB -0.205 40.592 40.800 -0.005 0.000 0.913 178 D HN 0.184 nan 8.370 nan 0.000 0.523 179 D N 0.404 120.854 120.400 0.084 0.000 2.345 179 D HA 0.073 4.699 4.640 -0.022 0.000 0.247 179 D C 0.407 176.815 176.300 0.179 0.000 1.108 179 D CA -0.203 53.868 54.000 0.119 0.000 0.894 179 D CB 1.816 42.684 40.800 0.114 0.000 1.203 179 D HN -0.206 nan 8.370 nan 0.000 0.430 180 V N 2.211 122.184 119.914 0.098 0.000 2.715 180 V HA 0.083 4.190 4.120 -0.022 0.000 0.299 180 V C 1.182 177.288 176.094 0.020 0.000 1.054 180 V CA -0.013 62.316 62.300 0.048 0.000 1.077 180 V CB 1.723 33.565 31.823 0.031 0.000 0.972 180 V HN 0.415 nan 8.190 nan 0.000 0.484 181 V N 3.160 123.021 119.914 -0.088 0.000 3.431 181 V HA 0.620 4.726 4.120 -0.022 0.000 0.255 181 V C 0.544 176.589 176.094 -0.080 0.000 1.403 181 V CA 0.901 63.081 62.300 -0.199 0.000 1.101 181 V CB 0.835 32.272 31.823 -0.643 0.000 0.891 181 V HN 0.921 nan 8.190 nan 0.000 0.446 182 A N 0.299 123.138 122.820 0.031 0.000 2.414 182 A HA 0.799 5.106 4.320 -0.022 0.000 0.306 182 A C -1.361 176.298 177.584 0.125 0.000 1.054 182 A CA -0.362 51.770 52.037 0.159 0.000 0.724 182 A CB 1.867 21.030 19.000 0.272 0.000 1.267 182 A HN 0.375 nan 8.150 nan 0.000 0.418 183 L N 3.423 124.750 121.223 0.173 0.000 2.594 183 L HA 0.381 4.708 4.340 -0.022 0.000 0.245 183 L C -2.459 174.545 176.870 0.224 0.000 1.460 183 L CA -1.445 53.482 54.840 0.146 0.000 0.865 183 L CB 1.388 43.544 42.059 0.162 0.000 1.131 183 L HN 0.463 nan 8.230 nan 0.000 0.506 184 P HA 0.102 nan 4.420 nan 0.000 0.275 184 P C -1.161 176.269 177.300 0.216 0.000 1.228 184 P CA 0.023 63.305 63.100 0.303 0.000 0.786 184 P CB 0.717 32.571 31.700 0.256 0.000 0.927 185 Y N 0.424 120.859 120.300 0.225 0.000 2.334 185 Y HA 0.474 5.012 4.550 -0.020 0.000 0.328 185 Y C 1.142 177.158 175.900 0.193 0.000 1.130 185 Y CA 0.407 58.600 58.100 0.155 0.000 1.163 185 Y CB 1.634 40.124 38.460 0.049 0.000 1.207 185 Y HN 0.358 nan 8.280 nan 0.000 0.471 186 S N 0.044 115.865 115.700 0.202 0.000 2.537 186 S HA 0.312 4.769 4.470 -0.022 0.000 0.271 186 S C 0.176 174.857 174.600 0.135 0.000 1.148 186 S CA -0.165 58.149 58.200 0.189 0.000 0.868 186 S CB 0.791 64.102 63.200 0.184 0.000 1.115 186 S HN 0.672 nan 8.310 nan 0.000 0.461 187 S N 2.613 118.378 115.700 0.110 0.000 2.528 187 S HA 0.460 4.916 4.470 -0.022 0.000 0.219 187 S C 1.511 176.133 174.600 0.036 0.000 0.985 187 S CA 0.744 58.971 58.200 0.045 0.000 0.914 187 S CB -0.877 62.358 63.200 0.057 0.000 0.776 187 S HN 2.132 nan 8.310 nan 0.000 0.526 188 G N 1.955 110.827 108.800 0.119 0.000 2.574 188 G HA2 -0.389 3.557 3.960 -0.022 0.000 0.286 188 G HA3 -0.389 3.557 3.960 -0.022 0.000 0.286 188 G C 0.797 175.766 174.900 0.115 0.000 1.212 188 G CA 1.176 46.378 45.100 0.170 0.000 0.979 188 G HN 1.153 nan 8.290 nan 0.000 0.557 189 T N -2.708 111.915 114.554 0.116 0.000 3.129 189 T HA 0.495 4.832 4.350 -0.022 0.000 0.251 189 T C 0.856 175.591 174.700 0.058 0.000 1.117 189 T CA 1.865 64.019 62.100 0.091 0.000 1.034 189 T CB 0.187 69.118 68.868 0.105 0.000 0.968 189 T HN 1.980 nan 8.240 nan 0.000 0.526 190 T N -1.175 113.399 114.554 0.034 0.000 2.927 190 T HA 0.492 4.829 4.350 -0.022 0.000 0.350 190 T C -0.123 174.569 174.700 -0.014 0.000 1.746 190 T CA 0.598 62.708 62.100 0.016 0.000 1.081 190 T CB 0.869 69.746 68.868 0.015 0.000 1.551 190 T HN 1.254 nan 8.240 nan 0.000 0.489 191 G N 1.698 110.494 108.800 -0.007 0.000 2.568 191 G HA2 -0.076 3.871 3.960 -0.022 0.000 0.222 191 G HA3 -0.076 3.871 3.960 -0.022 0.000 0.222 191 G C -0.877 174.012 174.900 -0.018 0.000 1.321 191 G CA -0.283 44.804 45.100 -0.022 0.000 0.893 191 G HN 0.970 nan 8.290 nan 0.000 0.569 192 L N 1.347 122.551 121.223 -0.032 0.000 2.439 192 L HA 0.465 4.792 4.340 -0.022 0.000 0.259 192 L C -1.833 175.027 176.870 -0.017 0.000 1.129 192 L CA -1.836 52.995 54.840 -0.015 0.000 0.803 192 L CB 0.947 42.998 42.059 -0.013 0.000 1.161 192 L HN 0.326 nan 8.230 nan 0.000 0.462 193 P HA 0.109 nan 4.420 nan 0.000 0.265 193 P C -1.305 176.055 177.300 0.100 0.000 1.193 193 P CA 0.235 63.398 63.100 0.105 0.000 0.765 193 P CB 0.507 32.303 31.700 0.162 0.000 0.823 194 K N 1.291 121.699 120.400 0.014 0.000 2.443 194 K HA 0.611 4.917 4.320 -0.022 0.000 0.251 194 K C -0.019 176.290 176.600 -0.484 0.000 0.972 194 K CA -0.963 55.231 56.287 -0.155 0.000 0.833 194 K CB 1.983 34.233 32.500 -0.417 0.000 1.317 194 K HN 0.416 nan 8.250 nan 0.000 0.441 195 G N 0.842 109.199 108.800 -0.737 0.000 2.349 195 G HA2 0.336 4.283 3.960 -0.022 0.000 0.281 195 G HA3 0.336 4.283 3.960 -0.022 0.000 0.281 195 G C -0.463 174.277 174.900 -0.267 0.000 1.182 195 G CA -0.364 44.100 45.100 -1.059 0.000 0.899 195 G HN 0.251 nan 8.290 nan 0.000 0.455 196 V N 5.043 124.839 119.914 -0.197 0.000 2.385 196 V HA 0.197 4.304 4.120 -0.022 0.000 0.269 196 V C 0.594 176.640 176.094 -0.079 0.000 1.043 196 V CA -0.247 61.999 62.300 -0.090 0.000 0.906 196 V CB 1.034 32.824 31.823 -0.055 0.000 0.995 196 V HN 0.708 nan 8.190 nan 0.000 0.467 197 M N 6.845 126.394 119.600 -0.086 0.000 2.193 197 M HA 0.405 4.871 4.480 -0.022 0.000 0.342 197 M C -0.803 175.469 176.300 -0.047 0.000 1.413 197 M CA 0.196 55.469 55.300 -0.046 0.000 1.191 197 M CB 0.206 32.785 32.600 -0.036 0.000 1.633 197 M HN 0.415 nan 8.290 nan 0.000 0.458 198 L N 3.529 124.742 121.223 -0.017 0.000 2.307 198 L HA 0.526 4.853 4.340 -0.022 0.000 0.284 198 L C 0.693 177.553 176.870 -0.017 0.000 1.023 198 L CA -0.719 54.111 54.840 -0.017 0.000 0.810 198 L CB 1.739 43.804 42.059 0.010 0.000 1.231 198 L HN 0.658 nan 8.230 nan 0.000 0.423 199 T N -2.932 111.610 114.554 -0.020 0.000 2.912 199 T HA 0.251 4.588 4.350 -0.022 0.000 0.280 199 T C 1.069 175.760 174.700 -0.015 0.000 0.989 199 T CA -0.394 61.705 62.100 -0.000 0.000 0.995 199 T CB 1.140 70.023 68.868 0.024 0.000 1.077 199 T HN 0.526 nan 8.240 nan 0.000 0.531 200 H N -0.030 119.038 119.070 -0.004 0.000 2.319 200 H HA 0.007 4.549 4.556 -0.024 0.000 0.299 200 H C 2.315 177.610 175.328 -0.054 0.000 1.092 200 H CA 2.304 58.346 56.048 -0.010 0.000 1.302 200 H CB 0.019 29.764 29.762 -0.027 0.000 1.373 200 H HN 0.698 nan 8.280 nan 0.000 0.497 201 K N 0.155 120.591 120.400 0.059 0.000 2.057 201 K HA -0.124 4.183 4.320 -0.022 0.000 0.207 201 K C 2.412 178.964 176.600 -0.080 0.000 1.049 201 K CA 1.299 57.559 56.287 -0.044 0.000 0.931 201 K CB -0.330 32.142 32.500 -0.048 0.000 0.714 201 K HN 0.366 nan 8.250 nan 0.000 0.440 202 G N 1.290 110.057 108.800 -0.054 0.000 2.421 202 G HA2 -0.222 3.724 3.960 -0.022 0.000 0.216 202 G HA3 -0.222 3.724 3.960 -0.022 0.000 0.216 202 G C 1.488 176.347 174.900 -0.068 0.000 1.171 202 G CA 0.707 45.766 45.100 -0.067 0.000 0.775 202 G HN 0.219 nan 8.290 nan 0.000 0.543 203 L N 0.065 121.263 121.223 -0.042 0.000 2.093 203 L HA 0.045 4.371 4.340 -0.022 0.000 0.208 203 L C 2.845 179.686 176.870 -0.049 0.000 1.085 203 L CA 0.470 55.300 54.840 -0.017 0.000 0.755 203 L CB -0.278 41.803 42.059 0.036 0.000 0.904 203 L HN 0.197 nan 8.230 nan 0.000 0.435 204 I N -0.562 119.931 120.570 -0.128 0.000 2.179 204 I HA -0.299 3.858 4.170 -0.022 0.000 0.242 204 I C 2.489 178.383 176.117 -0.371 0.000 1.088 204 I CA 1.605 62.676 61.300 -0.382 0.000 1.357 204 I CB -0.472 37.207 38.000 -0.534 0.000 1.051 204 I HN 0.268 nan 8.210 nan 0.000 0.409 205 T N -0.448 113.958 114.554 -0.247 0.000 2.684 205 T HA -0.216 4.120 4.350 -0.022 0.000 0.267 205 T C 2.097 176.724 174.700 -0.123 0.000 1.036 205 T CA 1.912 63.897 62.100 -0.192 0.000 1.148 205 T CB -0.296 68.481 68.868 -0.152 0.000 0.863 205 T HN 0.311 nan 8.240 nan 0.000 0.436 206 S N 0.244 115.890 115.700 -0.090 0.000 2.368 206 S HA -0.103 4.354 4.470 -0.022 0.000 0.225 206 S C 2.164 176.754 174.600 -0.017 0.000 1.030 206 S CA 1.068 59.234 58.200 -0.057 0.000 0.999 206 S CB -0.506 62.663 63.200 -0.050 0.000 0.844 206 S HN 0.290 nan 8.310 nan 0.000 0.459 207 V N 2.097 122.023 119.914 0.020 0.000 2.295 207 V HA -0.134 3.973 4.120 -0.022 0.000 0.246 207 V C 2.871 179.043 176.094 0.130 0.000 1.049 207 V CA 1.803 64.171 62.300 0.113 0.000 1.024 207 V CB -1.354 30.625 31.823 0.260 0.000 0.648 207 V HN 0.611 nan 8.190 nan 0.000 0.447 208 A N -0.844 122.037 122.820 0.102 0.000 1.908 208 A HA -0.314 3.993 4.320 -0.022 0.000 0.218 208 A C 2.145 179.755 177.584 0.043 0.000 1.181 208 A CA 2.042 54.147 52.037 0.114 0.000 0.627 208 A CB -0.551 18.444 19.000 -0.008 0.000 0.818 208 A HN 0.635 nan 8.150 nan 0.000 0.445 209 Q N -0.834 118.962 119.800 -0.006 0.000 2.234 209 Q HA -0.236 4.091 4.340 -0.022 0.000 0.206 209 Q C 2.232 178.224 176.000 -0.012 0.000 0.980 209 Q CA 1.795 57.587 55.803 -0.020 0.000 0.869 209 Q CB -0.139 28.572 28.738 -0.044 0.000 0.912 209 Q HN 0.812 nan 8.270 nan 0.000 0.436 210 Q N -0.669 119.129 119.800 -0.005 0.000 2.107 210 Q HA -0.042 4.284 4.340 -0.022 0.000 0.195 210 Q C 2.006 177.982 176.000 -0.041 0.000 0.964 210 Q CA 1.474 57.261 55.803 -0.026 0.000 0.833 210 Q CB 0.430 29.152 28.738 -0.026 0.000 0.910 210 Q HN 0.376 nan 8.270 nan 0.000 0.465 211 V N -2.584 117.331 119.914 0.002 0.000 3.643 211 V HA 0.192 4.298 4.120 -0.022 0.000 0.280 211 V C -0.006 176.128 176.094 0.068 0.000 1.351 211 V CA -0.179 62.123 62.300 0.002 0.000 1.073 211 V CB 0.248 32.085 31.823 0.024 0.000 0.863 211 V HN -0.050 nan 8.190 nan 0.000 0.436 212 D N 1.058 121.514 120.400 0.093 0.000 2.432 212 D HA 0.688 5.315 4.640 -0.022 0.000 0.258 212 D C 0.570 176.925 176.300 0.092 0.000 1.146 212 D CA 1.356 55.425 54.000 0.114 0.000 1.015 212 D CB 1.267 42.161 40.800 0.156 0.000 1.107 212 D HN 0.699 nan 8.370 nan 0.000 0.529 213 G N 0.231 109.091 108.800 0.101 0.000 2.619 213 G HA2 -0.157 3.789 3.960 -0.022 0.000 0.686 213 G HA3 -0.157 3.789 3.960 -0.022 0.000 0.686 213 G C 0.195 175.136 174.900 0.068 0.000 1.256 213 G CA -0.444 44.706 45.100 0.083 0.000 0.826 213 G HN 0.354 nan 8.290 nan 0.000 0.619 214 D N -0.006 120.425 120.400 0.053 0.000 2.144 214 D HA -0.073 4.554 4.640 -0.022 0.000 0.199 214 D C 1.259 177.560 176.300 0.003 0.000 0.984 214 D CA 1.744 55.762 54.000 0.030 0.000 0.834 214 D CB 0.144 40.958 40.800 0.022 0.000 0.955 214 D HN 0.385 nan 8.370 nan 0.000 0.465 215 N N 0.713 119.423 118.700 0.016 0.000 2.776 215 N HA 0.153 4.879 4.740 -0.022 0.000 0.245 215 N C -2.764 172.769 175.510 0.038 0.000 1.121 215 N CA -1.840 51.211 53.050 0.003 0.000 0.852 215 N CB 1.193 39.698 38.487 0.031 0.000 1.142 215 N HN -0.144 nan 8.380 nan 0.000 0.514 216 P HA 0.051 nan 4.420 nan 0.000 0.269 216 P C 0.242 177.576 177.300 0.057 0.000 1.209 216 P CA 0.067 63.201 63.100 0.058 0.000 0.776 216 P CB 1.411 33.167 31.700 0.094 0.000 0.876 217 N N 1.283 120.001 118.700 0.030 0.000 2.244 217 N HA -0.126 4.601 4.740 -0.022 0.000 0.183 217 N C 0.242 175.779 175.510 0.046 0.000 1.016 217 N CA 0.362 53.428 53.050 0.026 0.000 0.866 217 N CB -0.050 38.429 38.487 -0.013 0.000 0.980 217 N HN 0.221 nan 8.380 nan 0.000 0.430 218 L N 1.290 122.483 121.223 -0.049 0.000 2.417 218 L HA 0.279 4.605 4.340 -0.022 0.000 0.259 218 L C -1.622 175.012 176.870 -0.394 0.000 1.023 218 L CA -0.834 53.867 54.840 -0.232 0.000 0.901 218 L CB 0.519 42.337 42.059 -0.402 0.000 1.227 218 L HN 0.042 nan 8.230 nan 0.000 0.454 219 Y N 5.166 125.285 120.300 -0.301 0.000 2.486 219 Y HA 0.504 5.040 4.550 -0.023 0.000 0.348 219 Y C -1.371 174.441 175.900 -0.147 0.000 1.000 219 Y CA -0.535 57.456 58.100 -0.181 0.000 1.253 219 Y CB 0.171 38.636 38.460 0.008 0.000 1.140 219 Y HN 0.380 nan 8.280 nan 0.000 0.526 220 F N 6.211 125.938 119.950 -0.371 0.000 2.477 220 F HA 0.318 4.831 4.527 -0.023 0.000 0.335 220 F C -0.064 175.376 175.800 -0.601 0.000 1.130 220 F CA -1.202 56.486 58.000 -0.520 0.000 0.948 220 F CB 0.559 39.393 39.000 -0.278 0.000 1.154 220 F HN 0.617 nan 8.300 nan 0.000 0.439 221 H N -1.429 117.393 119.070 -0.413 0.000 2.649 221 H HA 0.477 5.020 4.556 -0.022 0.000 0.337 221 H C 1.189 176.431 175.328 -0.143 0.000 1.282 221 H CA -0.609 55.258 56.048 -0.301 0.000 1.333 221 H CB 0.035 29.603 29.762 -0.323 0.000 1.787 221 H HN 0.337 nan 8.280 nan 0.000 0.632 222 S N -0.627 115.182 115.700 0.182 0.000 2.374 222 S HA -0.260 4.196 4.470 -0.022 0.000 0.227 222 S C 1.186 175.854 174.600 0.113 0.000 1.037 222 S CA 1.673 59.922 58.200 0.082 0.000 1.024 222 S CB -0.701 62.530 63.200 0.051 0.000 0.861 222 S HN 0.763 nan 8.310 nan 0.000 0.456 223 E N 1.340 121.718 120.200 0.296 0.000 2.502 223 E HA 0.105 4.442 4.350 -0.022 0.000 0.194 223 E C -0.330 176.336 176.600 0.110 0.000 1.062 223 E CA -0.054 56.461 56.400 0.192 0.000 0.867 223 E CB 0.003 29.806 29.700 0.172 0.000 0.888 223 E HN 0.596 nan 8.360 nan 0.000 0.510 224 D N 0.638 120.997 120.400 -0.067 0.000 2.339 224 D HA 0.135 4.761 4.640 -0.022 0.000 0.245 224 D C -0.446 175.742 176.300 -0.187 0.000 1.115 224 D CA 0.171 54.020 54.000 -0.253 0.000 0.917 224 D CB 2.005 42.499 40.800 -0.510 0.000 1.192 224 D HN -0.219 nan 8.370 nan 0.000 0.428 225 V N 2.969 122.766 119.914 -0.195 0.000 2.482 225 V HA 0.300 4.407 4.120 -0.022 0.000 0.295 225 V C 0.091 176.038 176.094 -0.244 0.000 1.026 225 V CA -0.683 61.517 62.300 -0.166 0.000 0.856 225 V CB 1.551 33.332 31.823 -0.070 0.000 1.001 225 V HN 0.332 nan 8.190 nan 0.000 0.424 226 I N 5.382 125.770 120.570 -0.303 0.000 2.331 226 I HA 0.357 4.514 4.170 -0.022 0.000 0.292 226 I C -0.216 175.742 176.117 -0.265 0.000 0.998 226 I CA -0.593 60.492 61.300 -0.359 0.000 1.267 226 I CB 1.502 39.213 38.000 -0.482 0.000 1.386 226 I HN 0.429 nan 8.210 nan 0.000 0.476 227 L N 7.479 128.556 121.223 -0.243 0.000 2.349 227 L HA 0.313 4.639 4.340 -0.022 0.000 0.275 227 L C -0.451 176.284 176.870 -0.226 0.000 1.115 227 L CA 0.260 54.976 54.840 -0.207 0.000 0.820 227 L CB 1.157 43.109 42.059 -0.178 0.000 1.135 227 L HN 0.782 nan 8.230 nan 0.000 0.445 228 C N 5.839 125.011 119.300 -0.212 0.000 2.521 228 C HA 0.425 4.872 4.460 -0.022 0.000 0.291 228 C C 0.804 175.666 174.990 -0.214 0.000 1.074 228 C CA -0.531 58.345 59.018 -0.237 0.000 1.495 228 C CB -0.074 27.527 27.740 -0.232 0.000 1.862 228 C HN 0.813 nan 8.230 nan 0.000 0.418 229 V N 6.390 126.163 119.914 -0.235 0.000 3.578 229 V HA 0.381 4.488 4.120 -0.022 0.000 0.290 229 V C 0.539 176.473 176.094 -0.267 0.000 1.376 229 V CA 0.466 62.654 62.300 -0.187 0.000 1.083 229 V CB -0.214 31.515 31.823 -0.158 0.000 0.911 229 V HN 0.748 nan 8.190 nan 0.000 0.433 230 L N 2.856 123.861 121.223 -0.365 0.000 2.379 230 L HA 0.465 4.792 4.340 -0.022 0.000 0.269 230 L C -2.091 174.514 176.870 -0.442 0.000 1.084 230 L CA -1.883 52.694 54.840 -0.438 0.000 0.802 230 L CB 1.080 42.773 42.059 -0.611 0.000 1.175 230 L HN 0.064 nan 8.230 nan 0.000 0.448 231 P HA 0.083 nan 4.420 nan 0.000 0.271 231 P C 0.181 176.928 177.300 -0.921 0.000 1.233 231 P CA -0.093 62.478 63.100 -0.881 0.000 0.764 231 P CB 0.902 31.834 31.700 -1.280 0.000 0.825 232 M N 2.885 121.923 119.600 -0.936 0.000 2.460 232 M HA -0.067 4.400 4.480 -0.022 0.000 0.263 232 M C 1.158 176.996 176.300 -0.769 0.000 1.071 232 M CA 1.615 56.348 55.300 -0.945 0.000 1.096 232 M CB -0.693 31.036 32.600 -1.453 0.000 1.408 232 M HN 0.309 nan 8.290 nan 0.000 0.463 233 F N -2.094 117.601 119.950 -0.425 0.000 2.802 233 F HA 0.158 4.671 4.527 -0.023 0.000 0.300 233 F C 0.569 176.256 175.800 -0.187 0.000 1.168 233 F CA -0.037 57.889 58.000 -0.124 0.000 1.433 233 F CB -0.852 38.082 39.000 -0.109 0.000 1.115 233 F HN 0.026 nan 8.300 nan 0.000 0.582 234 H N 0.029 119.068 119.070 -0.051 0.000 2.621 234 H HA 0.280 4.822 4.556 -0.023 0.000 0.360 234 H C 0.975 176.302 175.328 -0.002 0.000 1.163 234 H CA -1.380 54.704 56.048 0.060 0.000 1.194 234 H CB 1.999 31.776 29.762 0.025 0.000 1.649 234 H HN 0.017 nan 8.280 nan 0.000 0.532 235 I N 1.818 122.513 120.570 0.208 0.000 2.248 235 I HA -0.304 3.853 4.170 -0.022 0.000 0.248 235 I C 2.052 178.231 176.117 0.103 0.000 1.107 235 I CA 1.337 62.706 61.300 0.114 0.000 1.373 235 I CB -0.474 37.581 38.000 0.093 0.000 1.055 235 I HN 0.540 nan 8.210 nan 0.000 0.418 236 Y N 1.469 121.734 120.300 -0.057 0.000 2.049 236 Y HA -0.294 4.243 4.550 -0.022 0.000 0.277 236 Y C 2.473 178.301 175.900 -0.120 0.000 1.143 236 Y CA 1.808 59.852 58.100 -0.093 0.000 1.115 236 Y CB -1.276 37.110 38.460 -0.123 0.000 0.975 236 Y HN 0.229 nan 8.280 nan 0.000 0.487 237 A N -0.085 122.714 122.820 -0.036 0.000 1.902 237 A HA -0.159 4.148 4.320 -0.022 0.000 0.217 237 A C 2.299 179.788 177.584 -0.159 0.000 1.181 237 A CA 1.573 53.487 52.037 -0.204 0.000 0.623 237 A CB -1.279 17.496 19.000 -0.375 0.000 0.818 237 A HN 0.533 nan 8.150 nan 0.000 0.443 238 L N 0.505 121.639 121.223 -0.149 0.000 2.012 238 L HA -0.202 4.125 4.340 -0.022 0.000 0.210 238 L C 2.120 178.919 176.870 -0.119 0.000 1.073 238 L CA 2.609 57.344 54.840 -0.174 0.000 0.748 238 L CB -0.569 41.415 42.059 -0.124 0.000 0.891 238 L HN 0.559 nan 8.230 nan 0.000 0.431 239 N N -1.296 117.385 118.700 -0.033 0.000 2.244 239 N HA -0.103 4.623 4.740 -0.022 0.000 0.189 239 N C 1.749 177.285 175.510 0.044 0.000 1.047 239 N CA 1.538 54.592 53.050 0.005 0.000 0.870 239 N CB -0.050 38.445 38.487 0.014 0.000 1.041 239 N HN 0.341 nan 8.380 nan 0.000 0.448 240 S N 0.467 116.217 115.700 0.084 0.000 2.442 240 S HA 0.072 4.528 4.470 -0.022 0.000 0.236 240 S C 1.926 176.607 174.600 0.134 0.000 1.007 240 S CA 0.669 58.948 58.200 0.131 0.000 0.965 240 S CB 0.108 63.414 63.200 0.176 0.000 0.773 240 S HN 0.353 nan 8.310 nan 0.000 0.504 241 I N -0.330 120.266 120.570 0.043 0.000 3.196 241 I HA 0.087 4.244 4.170 -0.022 0.000 0.248 241 I C 2.247 178.324 176.117 -0.067 0.000 1.105 241 I CA 0.288 61.560 61.300 -0.047 0.000 1.482 241 I CB -0.357 37.555 38.000 -0.147 0.000 1.400 241 I HN 0.213 nan 8.210 nan 0.000 0.464 242 M N 1.331 120.874 119.600 -0.094 0.000 2.066 242 M HA -0.194 4.273 4.480 -0.022 0.000 0.259 242 M C 2.347 178.634 176.300 -0.021 0.000 1.074 242 M CA 2.162 57.408 55.300 -0.089 0.000 1.114 242 M CB -0.063 32.448 32.600 -0.149 0.000 1.306 242 M HN 0.151 nan 8.290 nan 0.000 0.411 243 L N -0.464 120.754 121.223 -0.007 0.000 2.056 243 L HA -0.256 4.071 4.340 -0.022 0.000 0.207 243 L C 2.610 179.547 176.870 0.111 0.000 1.078 243 L CA 1.137 56.019 54.840 0.070 0.000 0.749 243 L CB -0.816 41.292 42.059 0.083 0.000 0.901 243 L HN 0.527 nan 8.230 nan 0.000 0.433 244 C N 0.074 119.443 119.300 0.115 0.000 2.440 244 C HA -0.073 4.374 4.460 -0.022 0.000 0.278 244 C C 2.917 178.008 174.990 0.169 0.000 1.295 244 C CA 0.811 59.931 59.018 0.169 0.000 1.738 244 C CB -1.450 26.426 27.740 0.227 0.000 1.987 244 C HN 0.704 nan 8.230 nan 0.000 0.492 245 G N 0.407 109.259 108.800 0.087 0.000 2.421 245 G HA2 -0.162 3.785 3.960 -0.022 0.000 0.216 245 G HA3 -0.162 3.785 3.960 -0.022 0.000 0.216 245 G C 1.560 176.520 174.900 0.100 0.000 1.171 245 G CA 0.624 45.733 45.100 0.014 0.000 0.775 245 G HN 0.513 nan 8.290 nan 0.000 0.543 246 L N -0.079 121.225 121.223 0.136 0.000 2.017 246 L HA -0.080 4.247 4.340 -0.022 0.000 0.208 246 L C 2.916 179.916 176.870 0.217 0.000 1.073 246 L CA 1.418 56.413 54.840 0.260 0.000 0.745 246 L CB -0.361 41.818 42.059 0.200 0.000 0.894 246 L HN 0.170 nan 8.230 nan 0.000 0.432 247 R N 0.807 121.369 120.500 0.104 0.000 2.091 247 R HA -0.157 4.169 4.340 -0.022 0.000 0.238 247 R C 1.905 178.206 176.300 0.003 0.000 1.136 247 R CA 2.138 58.233 56.100 -0.008 0.000 0.959 247 R CB -0.795 29.475 30.300 -0.050 0.000 0.856 247 R HN 0.401 nan 8.270 nan 0.000 0.437 248 V N -2.754 117.181 119.914 0.034 0.000 3.623 248 V HA 0.377 4.484 4.120 -0.022 0.000 0.271 248 V C 1.139 177.115 176.094 -0.197 0.000 1.248 248 V CA 0.585 62.880 62.300 -0.009 0.000 1.156 248 V CB -0.391 31.485 31.823 0.088 0.000 0.870 248 V HN 0.462 nan 8.190 nan 0.000 0.453 249 G N -0.009 108.617 108.800 -0.290 0.000 2.160 249 G HA2 -0.037 3.910 3.960 -0.022 0.000 0.244 249 G HA3 -0.037 3.910 3.960 -0.022 0.000 0.244 249 G C 0.226 174.818 174.900 -0.514 0.000 1.022 249 G CA 0.340 44.868 45.100 -0.953 0.000 0.741 249 G HN 1.639 nan 8.290 nan 0.000 0.508 250 A N 0.314 123.063 122.820 -0.118 0.000 2.295 250 A HA 0.895 5.202 4.320 -0.022 0.000 0.318 250 A C -1.744 175.876 177.584 0.059 0.000 1.134 250 A CA -1.446 50.543 52.037 -0.080 0.000 0.827 250 A CB 1.266 20.151 19.000 -0.192 0.000 1.136 250 A HN 0.210 nan 8.150 nan 0.000 0.493 251 P HA 0.361 nan 4.420 nan 0.000 0.279 251 P C -0.980 176.266 177.300 -0.090 0.000 1.239 251 P CA 0.167 63.275 63.100 0.014 0.000 0.789 251 P CB 0.769 32.481 31.700 0.019 0.000 0.933 252 I N 3.619 124.123 120.570 -0.110 0.000 2.330 252 I HA 0.197 4.353 4.170 -0.022 0.000 0.289 252 I C 0.321 176.329 176.117 -0.181 0.000 1.001 252 I CA -0.975 60.230 61.300 -0.158 0.000 1.193 252 I CB 1.371 39.284 38.000 -0.146 0.000 1.345 252 I HN 0.153 nan 8.210 nan 0.000 0.461 253 L N 8.968 130.060 121.223 -0.217 0.000 2.268 253 L HA 0.478 4.804 4.340 -0.022 0.000 0.289 253 L C -0.371 176.369 176.870 -0.217 0.000 1.064 253 L CA 0.179 54.853 54.840 -0.277 0.000 0.824 253 L CB 0.127 41.994 42.059 -0.320 0.000 1.202 253 L HN 0.381 nan 8.230 nan 0.000 0.433 254 I N 5.640 126.098 120.570 -0.188 0.000 2.353 254 I HA 0.321 4.478 4.170 -0.022 0.000 0.293 254 I C 0.014 176.067 176.117 -0.107 0.000 0.992 254 I CA -0.182 61.031 61.300 -0.145 0.000 1.268 254 I CB 1.225 39.153 38.000 -0.120 0.000 1.387 254 I HN 0.520 nan 8.210 nan 0.000 0.478 255 M N 7.557 127.107 119.600 -0.084 0.000 2.023 255 M HA 0.280 4.747 4.480 -0.022 0.000 0.325 255 M C -1.886 174.411 176.300 -0.005 0.000 0.963 255 M CA -1.492 53.791 55.300 -0.028 0.000 0.928 255 M CB 1.792 34.397 32.600 0.008 0.000 1.429 255 M HN 0.258 nan 8.290 nan 0.000 0.404 256 P HA -0.121 nan 4.420 nan 0.000 0.218 256 P C -0.312 177.050 177.300 0.103 0.000 1.148 256 P CA 1.289 64.415 63.100 0.043 0.000 0.822 256 P CB 0.208 31.939 31.700 0.052 0.000 0.784 257 K N -0.859 119.607 120.400 0.109 0.000 2.507 257 K HA 0.317 4.624 4.320 -0.022 0.000 0.251 257 K C -1.554 175.140 176.600 0.157 0.000 0.943 257 K CA -1.105 55.275 56.287 0.154 0.000 0.794 257 K CB 0.295 32.874 32.500 0.133 0.000 1.188 257 K HN -0.273 nan 8.250 nan 0.000 0.428 258 F N 3.801 123.767 119.950 0.028 0.000 2.504 258 F HA 0.426 4.940 4.527 -0.022 0.000 0.369 258 F C -0.386 175.416 175.800 0.002 0.000 1.082 258 F CA 0.159 58.159 58.000 -0.000 0.000 1.216 258 F CB 0.632 39.630 39.000 -0.003 0.000 1.108 258 F HN 0.559 nan 8.300 nan 0.000 0.554 259 E N 6.987 126.827 120.200 -0.600 0.000 2.294 259 E HA 0.124 4.461 4.350 -0.022 0.000 0.272 259 E C 0.343 176.586 176.600 -0.596 0.000 0.896 259 E CA -0.413 55.647 56.400 -0.567 0.000 0.802 259 E CB 1.492 31.054 29.700 -0.230 0.000 1.267 259 E HN 0.764 nan 8.360 nan 0.000 0.406 260 I N 4.913 125.089 120.570 -0.658 0.000 2.087 260 I HA -0.196 3.961 4.170 -0.022 0.000 0.240 260 I C 1.824 177.843 176.117 -0.163 0.000 1.054 260 I CA 2.835 63.931 61.300 -0.340 0.000 1.311 260 I CB -0.505 37.382 38.000 -0.187 0.000 1.024 260 I HN 0.690 nan 8.210 nan 0.000 0.402 261 G N -0.894 107.830 108.800 -0.126 0.000 2.476 261 G HA2 -0.287 3.660 3.960 -0.022 0.000 0.218 261 G HA3 -0.287 3.660 3.960 -0.022 0.000 0.218 261 G C 1.673 176.518 174.900 -0.092 0.000 1.164 261 G CA 1.149 46.214 45.100 -0.059 0.000 0.768 261 G HN 0.508 nan 8.290 nan 0.000 0.560 262 S N 0.367 116.010 115.700 -0.096 0.000 2.368 262 S HA -0.103 4.354 4.470 -0.022 0.000 0.225 262 S C 2.171 176.722 174.600 -0.081 0.000 1.030 262 S CA 1.140 59.297 58.200 -0.071 0.000 0.999 262 S CB -0.352 62.817 63.200 -0.052 0.000 0.844 262 S HN 0.279 nan 8.310 nan 0.000 0.459 263 L N 2.275 123.449 121.223 -0.082 0.000 2.012 263 L HA -0.067 4.260 4.340 -0.022 0.000 0.210 263 L C 1.950 178.768 176.870 -0.085 0.000 1.073 263 L CA 1.681 56.499 54.840 -0.036 0.000 0.748 263 L CB -0.808 41.279 42.059 0.047 0.000 0.891 263 L HN 0.288 nan 8.230 nan 0.000 0.431 264 L N -0.709 120.413 121.223 -0.169 0.000 2.042 264 L HA -0.143 4.184 4.340 -0.022 0.000 0.210 264 L C 2.558 179.126 176.870 -0.503 0.000 1.076 264 L CA 1.347 56.000 54.840 -0.312 0.000 0.749 264 L CB -1.559 40.260 42.059 -0.401 0.000 0.893 264 L HN 0.492 nan 8.230 nan 0.000 0.432 265 G N 0.042 108.521 108.800 -0.535 0.000 2.408 265 G HA2 -0.180 3.767 3.960 -0.022 0.000 0.217 265 G HA3 -0.180 3.767 3.960 -0.022 0.000 0.217 265 G C 1.660 176.519 174.900 -0.068 0.000 1.150 265 G CA 0.387 45.318 45.100 -0.281 0.000 0.776 265 G HN 0.212 nan 8.290 nan 0.000 0.542 266 L N 0.096 121.307 121.223 -0.019 0.000 2.093 266 L HA 0.023 4.349 4.340 -0.022 0.000 0.208 266 L C 2.813 179.759 176.870 0.125 0.000 1.085 266 L CA 0.527 55.439 54.840 0.120 0.000 0.755 266 L CB -0.289 41.833 42.059 0.105 0.000 0.904 266 L HN 0.202 nan 8.230 nan 0.000 0.435 267 I N -0.306 120.283 120.570 0.031 0.000 2.226 267 I HA -0.308 3.849 4.170 -0.022 0.000 0.245 267 I C 2.612 178.758 176.117 0.049 0.000 1.100 267 I CA 1.445 62.765 61.300 0.033 0.000 1.374 267 I CB -0.231 37.772 38.000 0.005 0.000 1.057 267 I HN 0.358 nan 8.210 nan 0.000 0.413 268 E N 1.391 121.612 120.200 0.035 0.000 2.046 268 E HA -0.266 4.071 4.350 -0.022 0.000 0.190 268 E C 2.261 178.866 176.600 0.009 0.000 0.982 268 E CA 1.096 57.523 56.400 0.045 0.000 0.800 268 E CB 0.050 29.800 29.700 0.083 0.000 0.756 268 E HN 0.288 nan 8.360 nan 0.000 0.449 269 K N -0.408 119.977 120.400 -0.025 0.000 2.009 269 K HA -0.195 4.112 4.320 -0.022 0.000 0.210 269 K C 1.475 177.915 176.600 -0.266 0.000 1.049 269 K CA 1.717 57.901 56.287 -0.171 0.000 0.929 269 K CB -0.182 32.164 32.500 -0.257 0.000 0.714 269 K HN 0.203 nan 8.250 nan 0.000 0.440 270 Y N 0.829 121.123 120.300 -0.009 0.000 2.466 270 Y HA 0.162 4.699 4.550 -0.022 0.000 0.272 270 Y C -0.167 175.723 175.900 -0.018 0.000 1.169 270 Y CA -0.089 58.002 58.100 -0.014 0.000 1.285 270 Y CB 0.667 39.112 38.460 -0.025 0.000 1.078 270 Y HN -0.026 nan 8.280 nan 0.000 0.523 271 K N -0.477 119.979 120.400 0.094 0.000 3.150 271 K HA -0.156 4.150 4.320 -0.022 0.000 0.267 271 K C -0.490 176.135 176.600 0.042 0.000 1.028 271 K CA 0.275 56.596 56.287 0.057 0.000 0.753 271 K CB -2.413 30.114 32.500 0.045 0.000 1.288 271 K HN 0.097 nan 8.250 nan 0.000 0.473 272 V N 1.534 121.470 119.914 0.037 0.000 2.617 272 V HA -0.044 4.063 4.120 -0.022 0.000 0.304 272 V C 1.832 177.899 176.094 -0.046 0.000 1.040 272 V CA 1.141 63.427 62.300 -0.024 0.000 1.149 272 V CB 1.320 33.119 31.823 -0.041 0.000 0.914 272 V HN 0.666 nan 8.190 nan 0.000 0.487 273 S N 4.146 119.791 115.700 -0.091 0.000 2.554 273 S HA 0.319 4.775 4.470 -0.022 0.000 0.227 273 S C 0.277 174.797 174.600 -0.134 0.000 1.050 273 S CA -0.188 57.958 58.200 -0.089 0.000 0.927 273 S CB 0.532 63.678 63.200 -0.091 0.000 0.859 273 S HN 0.404 nan 8.310 nan 0.000 0.494 274 I N 2.428 122.877 120.570 -0.202 0.000 2.406 274 I HA 0.650 4.806 4.170 -0.022 0.000 0.290 274 I C -0.443 175.542 176.117 -0.220 0.000 0.999 274 I CA -0.990 60.171 61.300 -0.231 0.000 1.124 274 I CB 0.988 38.755 38.000 -0.388 0.000 1.289 274 I HN 0.278 nan 8.210 nan 0.000 0.441 275 A N 8.683 131.387 122.820 -0.194 0.000 2.664 275 A HA 0.717 5.024 4.320 -0.022 0.000 0.338 275 A C -2.623 174.855 177.584 -0.176 0.000 1.280 275 A CA -1.317 50.602 52.037 -0.196 0.000 0.809 275 A CB 0.235 19.107 19.000 -0.213 0.000 1.114 275 A HN 0.375 nan 8.150 nan 0.000 0.479 276 P HA 0.363 nan 4.420 nan 0.000 0.281 276 P C 0.015 177.175 177.300 -0.233 0.000 1.286 276 P CA 0.064 63.095 63.100 -0.116 0.000 0.772 276 P CB 1.233 32.870 31.700 -0.105 0.000 0.862 277 V N 2.037 121.866 119.914 -0.142 0.000 3.105 277 V HA 0.833 4.940 4.120 -0.022 0.000 0.311 277 V C -0.340 175.689 176.094 -0.108 0.000 1.287 277 V CA -1.137 61.026 62.300 -0.227 0.000 1.066 277 V CB 1.901 33.596 31.823 -0.213 0.000 1.105 277 V HN 0.287 nan 8.190 nan 0.000 0.462 278 V N -4.442 115.371 119.914 -0.168 0.000 3.001 278 V HA 0.667 4.773 4.120 -0.022 0.000 0.314 278 V C -2.155 173.873 176.094 -0.110 0.000 1.099 278 V CA -2.063 60.179 62.300 -0.096 0.000 0.989 278 V CB 1.141 32.862 31.823 -0.170 0.000 1.040 278 V HN 0.631 nan 8.190 nan 0.000 0.434 279 P HA -0.061 nan 4.420 nan 0.000 0.216 279 P C -1.633 175.623 177.300 -0.073 0.000 1.157 279 P CA 2.360 65.424 63.100 -0.060 0.000 0.880 279 P CB -0.997 30.673 31.700 -0.049 0.000 0.791 280 P HA -0.125 nan 4.420 nan 0.000 0.215 280 P C 1.604 178.853 177.300 -0.085 0.000 1.157 280 P CA 1.162 64.209 63.100 -0.088 0.000 0.868 280 P CB -0.466 31.167 31.700 -0.112 0.000 0.788 281 V N -1.075 118.718 119.914 -0.201 0.000 2.343 281 V HA -0.248 3.859 4.120 -0.022 0.000 0.247 281 V C 2.480 178.499 176.094 -0.124 0.000 1.051 281 V CA 1.830 63.929 62.300 -0.334 0.000 1.036 281 V CB -1.014 30.450 31.823 -0.598 0.000 0.654 281 V HN 0.096 nan 8.190 nan 0.000 0.451 282 M N -1.050 118.491 119.600 -0.098 0.000 2.108 282 M HA -0.252 4.215 4.480 -0.022 0.000 0.261 282 M C 2.191 178.522 176.300 0.052 0.000 1.066 282 M CA 2.164 57.448 55.300 -0.026 0.000 1.107 282 M CB -0.208 32.377 32.600 -0.026 0.000 1.356 282 M HN 0.349 nan 8.290 nan 0.000 0.406 283 M N -0.904 118.719 119.600 0.038 0.000 2.117 283 M HA -0.201 4.266 4.480 -0.022 0.000 0.262 283 M C 1.931 178.290 176.300 0.098 0.000 1.065 283 M CA 1.782 57.120 55.300 0.062 0.000 1.114 283 M CB 0.003 32.624 32.600 0.034 0.000 1.361 283 M HN 0.184 nan 8.290 nan 0.000 0.408 284 S N 0.855 116.632 115.700 0.128 0.000 2.368 284 S HA -0.112 4.345 4.470 -0.022 0.000 0.225 284 S C 1.761 176.478 174.600 0.194 0.000 1.030 284 S CA 1.351 59.662 58.200 0.185 0.000 0.999 284 S CB -0.418 62.988 63.200 0.345 0.000 0.844 284 S HN 0.446 nan 8.310 nan 0.000 0.459 285 I N 2.101 122.808 120.570 0.229 0.000 2.179 285 I HA -0.151 4.006 4.170 -0.022 0.000 0.242 285 I C 2.734 179.006 176.117 0.258 0.000 1.088 285 I CA 1.290 62.739 61.300 0.248 0.000 1.357 285 I CB -1.855 36.276 38.000 0.219 0.000 1.051 285 I HN 0.231 nan 8.210 nan 0.000 0.409 286 A N 0.965 123.926 122.820 0.235 0.000 1.933 286 A HA -0.207 4.100 4.320 -0.022 0.000 0.218 286 A C 2.236 179.879 177.584 0.099 0.000 1.175 286 A CA 1.522 53.669 52.037 0.184 0.000 0.628 286 A CB -0.553 18.538 19.000 0.151 0.000 0.814 286 A HN 0.407 nan 8.150 nan 0.000 0.444 287 K N 0.448 120.903 120.400 0.092 0.000 2.525 287 K HA 0.056 4.362 4.320 -0.022 0.000 0.192 287 K C 0.725 177.358 176.600 0.055 0.000 1.029 287 K CA 0.335 56.659 56.287 0.061 0.000 1.029 287 K CB -0.039 32.495 32.500 0.057 0.000 0.814 287 K HN 0.344 nan 8.250 nan 0.000 0.503 288 S N 2.156 117.901 115.700 0.074 0.000 2.533 288 S HA 0.071 4.528 4.470 -0.022 0.000 0.282 288 S C -1.500 173.126 174.600 0.044 0.000 1.304 288 S CA -1.330 56.909 58.200 0.065 0.000 1.063 288 S CB 0.668 63.926 63.200 0.097 0.000 0.881 288 S HN 0.096 nan 8.310 nan 0.000 0.493 289 P HA 0.250 nan 4.420 nan 0.000 0.261 289 P C -0.318 176.996 177.300 0.023 0.000 1.268 289 P CA 0.127 63.238 63.100 0.019 0.000 0.833 289 P CB 0.246 31.954 31.700 0.013 0.000 1.231 290 D N -0.089 120.342 120.400 0.051 0.000 2.424 290 D HA 0.165 4.791 4.640 -0.022 0.000 0.220 290 D C 1.752 178.123 176.300 0.118 0.000 1.150 290 D CA -0.123 53.920 54.000 0.072 0.000 0.831 290 D CB 0.335 41.203 40.800 0.114 0.000 0.981 290 D HN 0.197 nan 8.370 nan 0.000 0.500 291 L N 1.169 122.442 121.223 0.082 0.000 2.191 291 L HA -0.150 4.177 4.340 -0.022 0.000 0.212 291 L C 1.941 178.847 176.870 0.061 0.000 1.103 291 L CA 1.115 56.008 54.840 0.087 0.000 0.769 291 L CB -0.232 41.817 42.059 -0.017 0.000 0.908 291 L HN 0.056 nan 8.230 nan 0.000 0.438 292 D N -0.342 120.066 120.400 0.012 0.000 2.349 292 D HA -0.121 4.506 4.640 -0.022 0.000 0.224 292 D C 1.328 177.599 176.300 -0.048 0.000 1.029 292 D CA 0.414 54.406 54.000 -0.013 0.000 0.879 292 D CB 0.008 40.793 40.800 -0.025 0.000 0.906 292 D HN 0.321 nan 8.370 nan 0.000 0.528 293 K N -0.217 120.124 120.400 -0.098 0.000 2.404 293 K HA 0.093 4.399 4.320 -0.022 0.000 0.194 293 K C 0.086 176.367 176.600 -0.532 0.000 1.023 293 K CA 0.129 56.242 56.287 -0.291 0.000 1.094 293 K CB 0.430 32.717 32.500 -0.356 0.000 0.841 293 K HN 0.255 nan 8.250 nan 0.000 0.523 294 H N -0.261 118.821 119.070 0.021 0.000 2.851 294 H HA 0.097 4.640 4.556 -0.022 0.000 0.372 294 H C -1.359 173.989 175.328 0.034 0.000 1.158 294 H CA -1.088 54.977 56.048 0.028 0.000 1.159 294 H CB 1.990 31.776 29.762 0.041 0.000 1.757 294 H HN -0.058 nan 8.280 nan 0.000 0.546 295 D N 2.667 123.162 120.400 0.157 0.000 2.365 295 D HA 0.123 4.750 4.640 -0.022 0.000 0.237 295 D C 0.281 176.651 176.300 0.117 0.000 1.190 295 D CA -0.200 53.862 54.000 0.103 0.000 0.867 295 D CB 0.282 41.123 40.800 0.069 0.000 1.050 295 D HN 0.421 nan 8.370 nan 0.000 0.491 296 L N 2.989 124.288 121.223 0.127 0.000 2.872 296 L HA 0.080 4.407 4.340 -0.022 0.000 0.245 296 L C 1.976 178.920 176.870 0.123 0.000 1.211 296 L CA -0.168 54.755 54.840 0.140 0.000 1.013 296 L CB -0.070 42.120 42.059 0.218 0.000 1.326 296 L HN 0.325 nan 8.230 nan 0.000 0.525 297 S N -1.046 114.710 115.700 0.094 0.000 2.469 297 S HA -0.162 4.294 4.470 -0.022 0.000 0.238 297 S C 2.083 176.727 174.600 0.073 0.000 0.998 297 S CA 1.118 59.367 58.200 0.082 0.000 0.957 297 S CB -0.278 62.960 63.200 0.063 0.000 0.764 297 S HN 0.573 nan 8.310 nan 0.000 0.514 298 S N 1.371 117.110 115.700 0.064 0.000 2.453 298 S HA 0.189 4.646 4.470 -0.022 0.000 0.231 298 S C 0.723 175.347 174.600 0.040 0.000 1.005 298 S CA -0.186 58.044 58.200 0.051 0.000 0.949 298 S CB -0.854 62.370 63.200 0.041 0.000 0.774 298 S HN 0.531 nan 8.310 nan 0.000 0.510 299 L N 2.915 124.164 121.223 0.044 0.000 2.534 299 L HA 0.211 4.537 4.340 -0.022 0.000 0.271 299 L C 1.683 178.578 176.870 0.041 0.000 1.178 299 L CA -0.106 54.745 54.840 0.017 0.000 0.907 299 L CB 0.504 42.570 42.059 0.012 0.000 1.164 299 L HN 0.484 nan 8.230 nan 0.000 0.482 300 R N 3.414 123.926 120.500 0.020 0.000 2.469 300 R HA 0.342 4.669 4.340 -0.022 0.000 0.250 300 R C 0.082 176.412 176.300 0.051 0.000 0.909 300 R CA -0.292 55.841 56.100 0.055 0.000 1.050 300 R CB 0.820 31.164 30.300 0.073 0.000 1.256 300 R HN 0.549 nan 8.270 nan 0.000 0.550 301 M N 1.585 121.178 119.600 -0.012 0.000 2.322 301 M HA 0.451 4.918 4.480 -0.022 0.000 0.286 301 M C -2.008 174.230 176.300 -0.102 0.000 1.111 301 M CA -0.712 54.559 55.300 -0.048 0.000 0.941 301 M CB 2.406 34.910 32.600 -0.160 0.000 1.671 301 M HN 0.070 nan 8.290 nan 0.000 0.470 302 I N 4.498 125.045 120.570 -0.039 0.000 2.410 302 I HA 0.410 4.566 4.170 -0.022 0.000 0.286 302 I C -0.831 175.310 176.117 0.040 0.000 1.009 302 I CA -0.597 60.667 61.300 -0.060 0.000 1.111 302 I CB 1.999 39.957 38.000 -0.071 0.000 1.262 302 I HN 0.611 nan 8.210 nan 0.000 0.443 303 K N 4.942 125.336 120.400 -0.010 0.000 2.274 303 K HA 0.522 4.829 4.320 -0.022 0.000 0.262 303 K C -0.830 175.848 176.600 0.129 0.000 0.961 303 K CA -0.298 56.063 56.287 0.124 0.000 0.833 303 K CB 1.771 34.283 32.500 0.021 0.000 1.102 303 K HN 0.543 nan 8.250 nan 0.000 0.436 304 S N 2.366 118.149 115.700 0.139 0.000 2.509 304 S HA 0.849 5.305 4.470 -0.022 0.000 0.297 304 S C -0.603 174.048 174.600 0.084 0.000 1.118 304 S CA -0.290 57.968 58.200 0.097 0.000 1.074 304 S CB 1.318 64.546 63.200 0.046 0.000 1.038 304 S HN 0.865 nan 8.310 nan 0.000 0.498 305 G N 0.862 109.726 108.800 0.106 0.000 2.600 305 G HA2 0.567 4.514 3.960 -0.022 0.000 0.293 305 G HA3 0.567 4.514 3.960 -0.022 0.000 0.293 305 G C 0.436 175.348 174.900 0.019 0.000 1.408 305 G CA -0.022 45.056 45.100 -0.037 0.000 0.782 305 G HN 1.760 nan 8.290 nan 0.000 0.482 306 G N -1.564 107.201 108.800 -0.058 0.000 2.253 306 G HA2 0.336 4.282 3.960 -0.022 0.000 0.251 306 G HA3 0.336 4.282 3.960 -0.022 0.000 0.251 306 G C 0.573 175.463 174.900 -0.017 0.000 0.998 306 G CA 1.398 46.489 45.100 -0.016 0.000 0.621 306 G HN 2.486 nan 8.290 nan 0.000 0.524 307 A N -0.856 121.953 122.820 -0.019 0.000 2.601 307 A HA 0.781 5.088 4.320 -0.022 0.000 0.291 307 A C -3.021 174.543 177.584 -0.034 0.000 1.075 307 A CA -0.411 51.610 52.037 -0.027 0.000 0.671 307 A CB 0.402 19.376 19.000 -0.043 0.000 1.277 307 A HN 0.253 nan 8.150 nan 0.000 0.417 308 P HA 0.318 nan 4.420 nan 0.000 0.266 308 P C -0.917 176.363 177.300 -0.033 0.000 1.195 308 P CA 0.035 63.109 63.100 -0.043 0.000 0.768 308 P CB 0.412 32.092 31.700 -0.034 0.000 0.838 309 L N 2.910 124.113 121.223 -0.033 0.000 2.294 309 L HA 0.515 4.842 4.340 -0.022 0.000 0.283 309 L C 0.596 177.460 176.870 -0.010 0.000 1.015 309 L CA -0.514 54.314 54.840 -0.019 0.000 0.831 309 L CB 0.902 42.951 42.059 -0.018 0.000 1.217 309 L HN 0.488 nan 8.230 nan 0.000 0.420 310 G N 2.478 111.276 108.800 -0.004 0.000 2.594 310 G HA2 0.025 3.972 3.960 -0.022 0.000 0.243 310 G HA3 0.025 3.972 3.960 -0.022 0.000 0.243 310 G C 0.582 175.489 174.900 0.012 0.000 1.229 310 G CA -0.296 44.807 45.100 0.004 0.000 0.843 310 G HN 0.862 nan 8.290 nan 0.000 0.578 311 K N 0.103 120.513 120.400 0.016 0.000 2.057 311 K HA -0.130 4.176 4.320 -0.022 0.000 0.207 311 K C 2.130 178.743 176.600 0.022 0.000 1.049 311 K CA 1.849 58.149 56.287 0.021 0.000 0.931 311 K CB -0.132 32.381 32.500 0.022 0.000 0.714 311 K HN 0.682 nan 8.250 nan 0.000 0.440 312 E N 0.417 120.628 120.200 0.019 0.000 2.085 312 E HA -0.212 4.124 4.350 -0.022 0.000 0.194 312 E C 1.996 178.612 176.600 0.026 0.000 0.994 312 E CA 1.211 57.624 56.400 0.020 0.000 0.801 312 E CB -0.093 29.617 29.700 0.017 0.000 0.743 312 E HN 0.207 nan 8.360 nan 0.000 0.453 313 L N 1.421 122.659 121.223 0.026 0.000 2.093 313 L HA -0.147 4.180 4.340 -0.022 0.000 0.208 313 L C 2.157 179.053 176.870 0.044 0.000 1.085 313 L CA 1.790 56.650 54.840 0.034 0.000 0.755 313 L CB -0.302 41.772 42.059 0.025 0.000 0.904 313 L HN 0.068 nan 8.230 nan 0.000 0.435 314 E N -0.720 119.502 120.200 0.036 0.000 2.051 314 E HA -0.248 4.088 4.350 -0.022 0.000 0.192 314 E C 1.642 178.273 176.600 0.051 0.000 0.991 314 E CA 1.558 57.983 56.400 0.042 0.000 0.799 314 E CB -0.004 29.713 29.700 0.029 0.000 0.748 314 E HN 0.537 nan 8.360 nan 0.000 0.449 315 D N -0.285 120.140 120.400 0.042 0.000 2.117 315 D HA -0.123 4.504 4.640 -0.022 0.000 0.197 315 D C 1.956 178.283 176.300 0.046 0.000 0.987 315 D CA 1.468 55.492 54.000 0.040 0.000 0.829 315 D CB -0.515 40.303 40.800 0.029 0.000 0.961 315 D HN 0.189 nan 8.370 nan 0.000 0.460 316 T N 0.775 115.357 114.554 0.047 0.000 2.708 316 T HA -0.101 4.236 4.350 -0.022 0.000 0.266 316 T C 2.281 177.028 174.700 0.079 0.000 1.037 316 T CA 0.901 63.030 62.100 0.049 0.000 1.146 316 T CB -0.334 68.564 68.868 0.050 0.000 0.865 316 T HN -0.026 nan 8.240 nan 0.000 0.435 317 V N 1.558 121.546 119.914 0.124 0.000 2.343 317 V HA -0.170 3.937 4.120 -0.022 0.000 0.247 317 V C 2.614 178.839 176.094 0.218 0.000 1.051 317 V CA 1.589 64.026 62.300 0.228 0.000 1.036 317 V CB -0.584 31.356 31.823 0.196 0.000 0.654 317 V HN 0.395 nan 8.190 nan 0.000 0.451 318 R N 0.139 120.720 120.500 0.135 0.000 2.120 318 R HA -0.116 4.210 4.340 -0.022 0.000 0.234 318 R C 2.350 178.700 176.300 0.083 0.000 1.123 318 R CA 1.465 57.634 56.100 0.115 0.000 0.975 318 R CB -0.504 29.843 30.300 0.079 0.000 0.866 318 R HN 0.557 nan 8.270 nan 0.000 0.446 319 A N 1.209 124.058 122.820 0.049 0.000 1.930 319 A HA -0.091 4.216 4.320 -0.022 0.000 0.215 319 A C 1.796 179.347 177.584 -0.055 0.000 1.176 319 A CA 1.002 53.042 52.037 0.005 0.000 0.632 319 A CB -0.013 18.986 19.000 -0.001 0.000 0.819 319 A HN 0.153 nan 8.150 nan 0.000 0.445 320 K N -1.873 118.463 120.400 -0.107 0.000 2.361 320 K HA 0.128 4.434 4.320 -0.022 0.000 0.196 320 K C -0.740 175.442 176.600 -0.697 0.000 1.039 320 K CA 0.458 56.516 56.287 -0.382 0.000 1.001 320 K CB 0.146 32.371 32.500 -0.458 0.000 0.795 320 K HN 0.448 nan 8.250 nan 0.000 0.495 321 F N 0.797 120.768 119.950 0.035 0.000 2.577 321 F HA 0.217 4.731 4.527 -0.022 0.000 0.342 321 F C -1.903 173.923 175.800 0.042 0.000 1.479 321 F CA -2.142 55.881 58.000 0.039 0.000 1.110 321 F CB 1.258 40.282 39.000 0.040 0.000 1.306 321 F HN -0.119 nan 8.300 nan 0.000 0.554 322 P HA -0.212 nan 4.420 nan 0.000 0.225 322 P C 1.144 178.509 177.300 0.108 0.000 1.148 322 P CA 1.206 64.363 63.100 0.095 0.000 0.779 322 P CB 0.253 31.982 31.700 0.047 0.000 0.780 323 Q N -0.137 119.741 119.800 0.129 0.000 2.472 323 Q HA 0.145 4.472 4.340 -0.022 0.000 0.208 323 Q C 0.491 176.567 176.000 0.127 0.000 0.958 323 Q CA 0.383 56.257 55.803 0.118 0.000 0.932 323 Q CB -0.201 28.608 28.738 0.117 0.000 1.007 323 Q HN 0.102 nan 8.270 nan 0.000 0.508 324 A N 1.073 123.984 122.820 0.151 0.000 2.380 324 A HA 0.688 4.994 4.320 -0.022 0.000 0.315 324 A C -0.809 176.862 177.584 0.145 0.000 1.101 324 A CA -0.920 51.197 52.037 0.133 0.000 0.771 324 A CB 1.203 20.268 19.000 0.107 0.000 1.287 324 A HN 0.200 nan 8.150 nan 0.000 0.436 325 R N 0.489 121.086 120.500 0.163 0.000 2.265 325 R HA 0.387 4.714 4.340 -0.022 0.000 0.314 325 R C -1.003 175.457 176.300 0.266 0.000 1.053 325 R CA -0.487 55.737 56.100 0.206 0.000 0.931 325 R CB 0.991 31.450 30.300 0.263 0.000 1.024 325 R HN 0.561 nan 8.270 nan 0.000 0.457 326 L N 2.071 123.416 121.223 0.203 0.000 2.307 326 L HA 0.688 5.015 4.340 -0.022 0.000 0.282 326 L C -0.103 176.865 176.870 0.164 0.000 1.051 326 L CA 0.305 55.265 54.840 0.200 0.000 0.804 326 L CB 1.728 43.862 42.059 0.126 0.000 1.197 326 L HN 0.728 nan 8.230 nan 0.000 0.431 327 G N 3.634 112.593 108.800 0.265 0.000 2.649 327 G HA2 0.478 4.425 3.960 -0.022 0.000 0.290 327 G HA3 0.478 4.425 3.960 -0.022 0.000 0.290 327 G C -1.843 173.140 174.900 0.138 0.000 1.426 327 G CA -0.626 44.463 45.100 -0.019 0.000 0.794 327 G HN 0.583 nan 8.290 nan 0.000 0.483 328 Q N -1.352 118.426 119.800 -0.037 0.000 2.359 328 Q HA 0.678 5.005 4.340 -0.022 0.000 0.275 328 Q C -0.526 175.491 176.000 0.029 0.000 1.082 328 Q CA -1.065 54.749 55.803 0.018 0.000 0.849 328 Q CB 2.771 31.468 28.738 -0.069 0.000 1.377 328 Q HN 0.792 nan 8.270 nan 0.000 0.452 329 G N 0.541 109.349 108.800 0.013 0.000 2.591 329 G HA2 0.458 4.405 3.960 -0.022 0.000 0.306 329 G HA3 0.458 4.405 3.960 -0.022 0.000 0.306 329 G C -2.226 172.653 174.900 -0.035 0.000 1.334 329 G CA -0.243 44.841 45.100 -0.027 0.000 0.981 329 G HN 0.420 nan 8.290 nan 0.000 0.491 330 Y N 1.621 121.816 120.300 -0.174 0.000 2.328 330 Y HA 0.740 5.278 4.550 -0.020 0.000 0.336 330 Y C 0.039 175.842 175.900 -0.162 0.000 0.960 330 Y CA -1.323 56.676 58.100 -0.169 0.000 1.134 330 Y CB 1.722 40.091 38.460 -0.152 0.000 1.166 330 Y HN 0.795 nan 8.280 nan 0.000 0.464 331 G N 5.388 113.989 108.800 -0.330 0.000 2.694 331 G HA2 0.628 4.574 3.960 -0.022 0.000 0.290 331 G HA3 0.628 4.574 3.960 -0.022 0.000 0.290 331 G C -2.069 172.638 174.900 -0.322 0.000 1.386 331 G CA -1.167 43.672 45.100 -0.436 0.000 0.872 331 G HN 0.746 nan 8.290 nan 0.000 0.475 332 M N 0.640 120.083 119.600 -0.262 0.000 2.322 332 M HA 0.305 4.771 4.480 -0.022 0.000 0.286 332 M C 0.971 177.219 176.300 -0.086 0.000 1.111 332 M CA -0.624 54.598 55.300 -0.130 0.000 0.941 332 M CB 1.838 34.365 32.600 -0.121 0.000 1.671 332 M HN 0.543 nan 8.290 nan 0.000 0.470 333 T N 1.718 116.258 114.554 -0.024 0.000 2.620 333 T HA -0.194 4.143 4.350 -0.022 0.000 0.267 333 T C 0.934 175.616 174.700 -0.030 0.000 1.044 333 T CA 2.522 64.624 62.100 0.003 0.000 1.161 333 T CB -0.228 68.678 68.868 0.063 0.000 0.862 333 T HN 0.774 nan 8.240 nan 0.000 0.438 334 E N 1.072 121.249 120.200 -0.039 0.000 2.333 334 E HA 0.097 4.433 4.350 -0.022 0.000 0.198 334 E C 2.019 178.559 176.600 -0.099 0.000 1.007 334 E CA 0.754 57.094 56.400 -0.099 0.000 0.845 334 E CB -0.292 29.342 29.700 -0.110 0.000 0.766 334 E HN 0.559 nan 8.360 nan 0.000 0.507 335 A N -0.639 122.124 122.820 -0.095 0.000 2.251 335 A HA 0.436 4.742 4.320 -0.022 0.000 0.209 335 A C 1.755 179.275 177.584 -0.108 0.000 1.187 335 A CA 0.753 52.723 52.037 -0.112 0.000 0.823 335 A CB -0.135 18.767 19.000 -0.162 0.000 0.846 335 A HN 0.292 nan 8.150 nan 0.000 0.486 336 G N -0.836 107.911 108.800 -0.089 0.000 2.213 336 G HA2 -0.199 3.748 3.960 -0.022 0.000 0.226 336 G HA3 -0.199 3.748 3.960 -0.022 0.000 0.226 336 G C -0.676 174.188 174.900 -0.060 0.000 0.992 336 G CA 0.333 45.390 45.100 -0.072 0.000 0.632 336 G HN 0.528 nan 8.290 nan 0.000 0.511 337 P HA 0.358 nan 4.420 nan 0.000 0.277 337 P C 0.462 177.649 177.300 -0.190 0.000 1.260 337 P CA 0.019 63.046 63.100 -0.121 0.000 0.878 337 P CB 0.942 32.582 31.700 -0.100 0.000 1.319 338 V N 2.106 121.918 119.914 -0.170 0.000 2.479 338 V HA -0.013 4.094 4.120 -0.022 0.000 0.281 338 V C 1.841 177.804 176.094 -0.217 0.000 1.031 338 V CA 0.503 62.681 62.300 -0.204 0.000 1.038 338 V CB 0.420 32.158 31.823 -0.142 0.000 0.981 338 V HN -0.087 nan 8.190 nan 0.000 0.478 339 L N 4.387 125.417 121.223 -0.323 0.000 2.362 339 L HA 0.527 4.854 4.340 -0.022 0.000 0.204 339 L C 0.959 177.754 176.870 -0.125 0.000 1.060 339 L CA 1.231 55.908 54.840 -0.272 0.000 0.827 339 L CB -0.094 41.661 42.059 -0.505 0.000 1.027 339 L HN 0.758 nan 8.230 nan 0.000 0.474 340 A N -0.365 122.402 122.820 -0.087 0.000 2.515 340 A HA 0.808 5.115 4.320 -0.022 0.000 0.298 340 A C -1.295 176.262 177.584 -0.045 0.000 1.059 340 A CA -0.311 51.712 52.037 -0.024 0.000 0.698 340 A CB 1.783 20.816 19.000 0.056 0.000 1.289 340 A HN -0.030 nan 8.150 nan 0.000 0.404 341 M N 1.601 121.158 119.600 -0.072 0.000 2.378 341 M HA 0.462 4.928 4.480 -0.022 0.000 0.289 341 M C -0.742 175.483 176.300 -0.124 0.000 1.136 341 M CA -0.506 54.761 55.300 -0.055 0.000 0.917 341 M CB 1.557 34.147 32.600 -0.017 0.000 1.669 341 M HN 1.057 nan 8.290 nan 0.000 0.461 342 C N 5.805 124.990 119.300 -0.192 0.000 2.519 342 C HA 0.139 4.586 4.460 -0.022 0.000 0.402 342 C C 1.483 176.251 174.990 -0.369 0.000 1.475 342 C CA -0.023 58.736 59.018 -0.431 0.000 1.504 342 C CB -1.358 25.826 27.740 -0.926 0.000 2.454 342 C HN 0.917 nan 8.230 nan 0.000 0.615 343 L N 5.331 126.393 121.223 -0.268 0.000 2.610 343 L HA 0.037 4.363 4.340 -0.022 0.000 0.232 343 L C 2.347 179.223 176.870 0.010 0.000 1.149 343 L CA 0.764 55.524 54.840 -0.132 0.000 0.872 343 L CB -0.393 41.483 42.059 -0.306 0.000 0.992 343 L HN 0.938 nan 8.230 nan 0.000 0.447 344 A N -0.754 121.963 122.820 -0.171 0.000 2.167 344 A HA -0.034 4.272 4.320 -0.022 0.000 0.214 344 A C 1.518 179.149 177.584 0.078 0.000 1.151 344 A CA 0.628 52.621 52.037 -0.074 0.000 0.735 344 A CB -0.304 18.586 19.000 -0.183 0.000 0.802 344 A HN 0.322 nan 8.150 nan 0.000 0.467 345 F N -0.017 119.969 119.950 0.060 0.000 2.789 345 F HA 0.413 4.926 4.527 -0.023 0.000 0.300 345 F C 1.527 177.376 175.800 0.081 0.000 1.132 345 F CA -0.684 57.349 58.000 0.055 0.000 1.404 345 F CB -0.912 38.086 39.000 -0.004 0.000 1.114 345 F HN 0.172 nan 8.300 nan 0.000 0.584 346 A N 0.519 123.490 122.820 0.251 0.000 2.406 346 A HA 0.110 4.416 4.320 -0.022 0.000 0.243 346 A C 1.835 179.486 177.584 0.112 0.000 1.082 346 A CA -0.262 51.886 52.037 0.184 0.000 0.786 346 A CB 0.268 19.401 19.000 0.222 0.000 1.029 346 A HN 0.303 nan 8.150 nan 0.000 0.495 347 K N 0.006 120.364 120.400 -0.071 0.000 2.063 347 K HA -0.145 4.161 4.320 -0.022 0.000 0.208 347 K C -0.034 176.444 176.600 -0.204 0.000 1.048 347 K CA 1.876 57.895 56.287 -0.447 0.000 0.928 347 K CB -0.056 31.991 32.500 -0.755 0.000 0.713 347 K HN 0.786 nan 8.250 nan 0.000 0.442 348 E N 2.277 122.409 120.200 -0.113 0.000 2.267 348 E HA 0.203 4.540 4.350 -0.022 0.000 0.241 348 E C -2.471 174.074 176.600 -0.092 0.000 0.950 348 E CA -2.236 54.094 56.400 -0.116 0.000 0.776 348 E CB 1.450 31.061 29.700 -0.147 0.000 1.207 348 E HN 0.270 nan 8.360 nan 0.000 0.436 349 P HA -0.001 nan 4.420 nan 0.000 0.269 349 P C -0.727 176.548 177.300 -0.040 0.000 1.209 349 P CA 0.224 63.361 63.100 0.063 0.000 0.776 349 P CB 0.641 32.389 31.700 0.079 0.000 0.876 350 F N 0.163 120.096 119.950 -0.028 0.000 2.483 350 F HA 0.260 4.774 4.527 -0.022 0.000 0.329 350 F C 1.217 176.992 175.800 -0.040 0.000 1.064 350 F CA -0.709 57.272 58.000 -0.032 0.000 0.986 350 F CB 0.834 39.810 39.000 -0.040 0.000 1.218 350 F HN 0.155 nan 8.300 nan 0.000 0.484 351 D N 2.092 122.585 120.400 0.154 0.000 2.362 351 D HA 0.372 4.999 4.640 -0.022 0.000 0.242 351 D C -0.144 176.190 176.300 0.056 0.000 1.132 351 D CA 0.348 54.393 54.000 0.076 0.000 0.907 351 D CB 1.096 41.930 40.800 0.057 0.000 1.195 351 D HN 0.430 nan 8.370 nan 0.000 0.429 352 I N -2.978 117.596 120.570 0.006 0.000 3.042 352 I HA 0.542 4.698 4.170 -0.022 0.000 0.310 352 I C -0.732 175.375 176.117 -0.017 0.000 1.117 352 I CA -1.118 60.157 61.300 -0.041 0.000 1.003 352 I CB 2.304 40.233 38.000 -0.117 0.000 1.228 352 I HN -0.079 nan 8.210 nan 0.000 0.443 353 K N 2.179 122.567 120.400 -0.021 0.000 2.203 353 K HA 0.587 4.893 4.320 -0.022 0.000 0.251 353 K C -2.672 173.944 176.600 0.026 0.000 0.944 353 K CA -1.651 54.663 56.287 0.046 0.000 0.829 353 K CB 1.577 34.176 32.500 0.164 0.000 1.125 353 K HN 0.364 nan 8.250 nan 0.000 0.430 354 P HA -0.004 nan 4.420 nan 0.000 0.268 354 P C 0.578 177.940 177.300 0.103 0.000 1.205 354 P CA 0.727 63.857 63.100 0.050 0.000 0.771 354 P CB 0.560 32.293 31.700 0.056 0.000 0.858 355 G N 1.267 110.088 108.800 0.034 0.000 2.225 355 G HA2 -0.207 3.739 3.960 -0.022 0.000 0.254 355 G HA3 -0.207 3.739 3.960 -0.022 0.000 0.254 355 G C 0.464 175.278 174.900 -0.144 0.000 0.988 355 G CA 0.055 45.188 45.100 0.054 0.000 0.625 355 G HN 0.868 nan 8.290 nan 0.000 0.527 356 A N -0.144 122.419 122.820 -0.427 0.000 2.371 356 A HA 0.547 4.853 4.320 -0.022 0.000 0.257 356 A C 1.634 178.902 177.584 -0.526 0.000 1.089 356 A CA 0.699 52.164 52.037 -0.954 0.000 0.794 356 A CB 0.306 18.706 19.000 -1.000 0.000 1.029 356 A HN 1.766 nan 8.150 nan 0.000 0.488 357 C N 0.557 119.546 119.300 -0.519 0.000 2.693 357 C HA 0.636 5.083 4.460 -0.022 0.000 0.286 357 C C 1.042 175.884 174.990 -0.246 0.000 1.277 357 C CA -0.059 58.770 59.018 -0.315 0.000 1.705 357 C CB -1.609 25.945 27.740 -0.309 0.000 1.879 357 C HN 2.280 nan 8.230 nan 0.000 0.607 358 G N 0.380 108.991 108.800 -0.315 0.000 2.362 358 G HA2 0.249 4.196 3.960 -0.022 0.000 0.517 358 G HA3 0.249 4.196 3.960 -0.022 0.000 0.517 358 G C -0.800 173.956 174.900 -0.239 0.000 1.256 358 G CA -0.184 44.765 45.100 -0.252 0.000 1.027 358 G HN 0.481 nan 8.290 nan 0.000 0.491 359 T N -0.208 114.229 114.554 -0.195 0.000 2.863 359 T HA 0.612 4.948 4.350 -0.022 0.000 0.285 359 T C 0.410 175.042 174.700 -0.114 0.000 1.009 359 T CA 0.304 62.301 62.100 -0.173 0.000 0.989 359 T CB 1.998 70.734 68.868 -0.221 0.000 1.004 359 T HN 1.700 nan 8.240 nan 0.000 0.455 360 V N 4.889 124.760 119.914 -0.071 0.000 2.752 360 V HA 0.107 4.214 4.120 -0.022 0.000 0.306 360 V C 0.697 176.762 176.094 -0.048 0.000 1.099 360 V CA 0.056 62.339 62.300 -0.029 0.000 1.240 360 V CB 0.059 31.898 31.823 0.025 0.000 0.887 360 V HN 0.733 nan 8.190 nan 0.000 0.499 361 V N 6.662 126.547 119.914 -0.048 0.000 3.139 361 V HA 0.353 4.459 4.120 -0.022 0.000 0.307 361 V C 0.828 176.898 176.094 -0.039 0.000 1.095 361 V CA -0.292 61.976 62.300 -0.053 0.000 1.160 361 V CB 0.196 31.984 31.823 -0.058 0.000 1.003 361 V HN 1.137 nan 8.190 nan 0.000 0.489 362 R N 2.082 122.559 120.500 -0.039 0.000 2.801 362 R HA 0.194 4.521 4.340 -0.022 0.000 0.273 362 R C 0.351 176.633 176.300 -0.030 0.000 1.080 362 R CA 0.189 56.274 56.100 -0.026 0.000 1.197 362 R CB -0.282 30.008 30.300 -0.017 0.000 1.109 362 R HN 0.932 nan 8.270 nan 0.000 0.535 363 N N -0.944 117.741 118.700 -0.026 0.000 2.727 363 N HA -0.230 4.497 4.740 -0.022 0.000 0.249 363 N C -0.977 174.502 175.510 -0.052 0.000 1.048 363 N CA 0.985 54.010 53.050 -0.041 0.000 0.714 363 N CB -0.757 37.697 38.487 -0.056 0.000 0.959 363 N HN 0.767 nan 8.380 nan 0.000 0.544 364 A N 0.095 122.893 122.820 -0.036 0.000 2.564 364 A HA 0.710 5.016 4.320 -0.022 0.000 0.291 364 A C -1.388 176.197 177.584 0.003 0.000 1.102 364 A CA -0.736 51.277 52.037 -0.039 0.000 0.660 364 A CB 1.535 20.514 19.000 -0.035 0.000 1.283 364 A HN 0.165 nan 8.150 nan 0.000 0.430 365 E N -0.190 120.022 120.200 0.021 0.000 2.293 365 E HA 0.634 4.970 4.350 -0.022 0.000 0.270 365 E C -1.060 175.743 176.600 0.339 0.000 0.879 365 E CA -0.483 56.007 56.400 0.149 0.000 0.756 365 E CB 2.572 32.330 29.700 0.097 0.000 1.208 365 E HN 0.667 nan 8.360 nan 0.000 0.428 366 M N 2.749 122.596 119.600 0.411 0.000 2.457 366 M HA 0.460 4.926 4.480 -0.022 0.000 0.300 366 M C -1.993 174.518 176.300 0.352 0.000 1.141 366 M CA -0.527 55.010 55.300 0.396 0.000 0.901 366 M CB 1.867 34.608 32.600 0.235 0.000 1.687 366 M HN 0.559 nan 8.290 nan 0.000 0.449 367 K N 3.573 124.031 120.400 0.095 0.000 2.508 367 K HA 0.654 4.960 4.320 -0.022 0.000 0.260 367 K C -1.726 174.848 176.600 -0.044 0.000 0.949 367 K CA -0.992 55.288 56.287 -0.013 0.000 0.834 367 K CB 1.947 34.155 32.500 -0.487 0.000 1.365 367 K HN 0.538 nan 8.250 nan 0.000 0.437 368 I N 2.963 123.561 120.570 0.047 0.000 2.355 368 I HA 0.258 4.414 4.170 -0.022 0.000 0.288 368 I C -0.109 176.004 176.117 -0.007 0.000 0.999 368 I CA -0.856 60.447 61.300 0.005 0.000 1.163 368 I CB 1.204 39.222 38.000 0.030 0.000 1.316 368 I HN 0.652 nan 8.210 nan 0.000 0.454 369 V N 2.467 122.354 119.914 -0.045 0.000 2.667 369 V HA 0.541 4.648 4.120 -0.022 0.000 0.308 369 V C -0.023 176.078 176.094 0.012 0.000 1.048 369 V CA -0.793 61.491 62.300 -0.026 0.000 0.928 369 V CB 2.355 34.143 31.823 -0.059 0.000 1.004 369 V HN 0.703 nan 8.190 nan 0.000 0.444 370 D N 4.464 124.877 120.400 0.022 0.000 2.382 370 D HA 0.225 4.852 4.640 -0.022 0.000 0.259 370 D C -1.656 174.663 176.300 0.032 0.000 1.224 370 D CA -1.376 52.639 54.000 0.025 0.000 0.894 370 D CB 1.974 42.789 40.800 0.024 0.000 1.127 370 D HN 0.408 nan 8.370 nan 0.000 0.487 371 P HA -0.149 nan 4.420 nan 0.000 0.217 371 P C 0.921 178.241 177.300 0.033 0.000 1.148 371 P CA 1.095 64.221 63.100 0.042 0.000 0.828 371 P CB 0.348 32.070 31.700 0.037 0.000 0.783 372 E N -1.325 118.889 120.200 0.024 0.000 2.166 372 E HA -0.063 4.273 4.350 -0.022 0.000 0.192 372 E C 1.626 178.236 176.600 0.017 0.000 0.967 372 E CA 1.303 57.714 56.400 0.018 0.000 0.840 372 E CB -0.017 29.691 29.700 0.013 0.000 0.795 372 E HN 0.222 nan 8.360 nan 0.000 0.470 373 T N -3.833 110.733 114.554 0.019 0.000 3.037 373 T HA 0.261 4.598 4.350 -0.022 0.000 0.252 373 T C 1.549 176.261 174.700 0.021 0.000 1.073 373 T CA 0.675 62.785 62.100 0.018 0.000 1.091 373 T CB 0.649 69.527 68.868 0.017 0.000 0.935 373 T HN 0.278 nan 8.240 nan 0.000 0.488 374 G N 1.611 110.427 108.800 0.027 0.000 2.184 374 G HA2 -0.090 3.856 3.960 -0.022 0.000 0.264 374 G HA3 -0.090 3.856 3.960 -0.022 0.000 0.264 374 G C 0.358 175.264 174.900 0.010 0.000 0.975 374 G CA 0.073 45.192 45.100 0.031 0.000 0.642 374 G HN 1.240 nan 8.290 nan 0.000 0.536 375 A N 0.094 122.922 122.820 0.014 0.000 2.407 375 A HA 0.694 5.001 4.320 -0.022 0.000 0.248 375 A C 0.932 178.530 177.584 0.024 0.000 1.082 375 A CA 1.103 53.149 52.037 0.016 0.000 0.785 375 A CB 0.645 19.664 19.000 0.033 0.000 1.020 375 A HN 1.670 nan 8.150 nan 0.000 0.489 376 S N 1.120 116.838 115.700 0.030 0.000 2.565 376 S HA 0.513 4.969 4.470 -0.022 0.000 0.276 376 S C -0.260 174.496 174.600 0.261 0.000 1.326 376 S CA -0.396 57.854 58.200 0.084 0.000 1.045 376 S CB -0.333 62.890 63.200 0.039 0.000 0.918 376 S HN 0.490 nan 8.310 nan 0.000 0.505 377 L N 6.053 127.417 121.223 0.235 0.000 2.330 377 L HA 0.604 4.930 4.340 -0.022 0.000 0.271 377 L C -1.845 175.025 176.870 -0.001 0.000 1.013 377 L CA -2.349 52.578 54.840 0.146 0.000 0.816 377 L CB 1.969 44.063 42.059 0.058 0.000 1.287 377 L HN 0.547 nan 8.230 nan 0.000 0.435 378 P HA 0.222 nan 4.420 nan 0.000 0.302 378 P C -0.862 176.386 177.300 -0.086 0.000 1.307 378 P CA -0.689 61.985 63.100 -0.710 0.000 0.754 378 P CB 0.607 31.698 31.700 -1.014 0.000 1.298 379 R N -0.346 120.162 120.500 0.013 0.000 2.679 379 R HA 0.056 4.382 4.340 -0.022 0.000 0.268 379 R C 0.656 176.922 176.300 -0.056 0.000 1.044 379 R CA 0.528 56.651 56.100 0.038 0.000 1.105 379 R CB -0.737 29.614 30.300 0.086 0.000 0.989 379 R HN 0.552 nan 8.270 nan 0.000 0.447 380 N N -0.283 118.393 118.700 -0.041 0.000 2.800 380 N HA -0.183 4.544 4.740 -0.022 0.000 0.250 380 N C -1.071 174.265 175.510 -0.291 0.000 1.078 380 N CA 0.610 53.526 53.050 -0.224 0.000 0.804 380 N CB -0.406 37.942 38.487 -0.232 0.000 1.135 380 N HN 0.473 nan 8.380 nan 0.000 0.565 381 Q N 0.243 119.966 119.800 -0.129 0.000 2.341 381 Q HA 0.356 4.683 4.340 -0.022 0.000 0.268 381 Q C -2.416 173.577 176.000 -0.011 0.000 1.013 381 Q CA -1.583 54.159 55.803 -0.102 0.000 0.798 381 Q CB 1.593 30.285 28.738 -0.076 0.000 1.253 381 Q HN 0.166 nan 8.270 nan 0.000 0.457 382 P HA 0.388 nan 4.420 nan 0.000 0.275 382 P C -0.229 177.093 177.300 0.037 0.000 1.227 382 P CA 0.151 63.298 63.100 0.078 0.000 0.781 382 P CB 1.396 33.144 31.700 0.079 0.000 0.906 383 G N 0.996 109.819 108.800 0.038 0.000 2.489 383 G HA2 0.220 4.167 3.960 -0.022 0.000 0.305 383 G HA3 0.220 4.167 3.960 -0.022 0.000 0.305 383 G C -1.585 173.326 174.900 0.018 0.000 1.311 383 G CA -0.594 44.520 45.100 0.024 0.000 0.813 383 G HN 0.540 nan 8.290 nan 0.000 0.480 384 E N -0.129 120.083 120.200 0.019 0.000 2.316 384 E HA 0.324 4.661 4.350 -0.022 0.000 0.275 384 E C -0.082 176.511 176.600 -0.012 0.000 1.029 384 E CA -0.401 56.013 56.400 0.022 0.000 0.871 384 E CB 0.520 30.256 29.700 0.061 0.000 1.022 384 E HN 0.292 nan 8.360 nan 0.000 0.418 385 I N 4.807 125.383 120.570 0.009 0.000 2.471 385 I HA 0.078 4.235 4.170 -0.022 0.000 0.286 385 I C -0.287 175.825 176.117 -0.007 0.000 1.079 385 I CA -0.422 60.889 61.300 0.017 0.000 1.398 385 I CB 0.515 38.571 38.000 0.092 0.000 1.403 385 I HN 0.510 nan 8.210 nan 0.000 0.530 386 C N 6.876 126.146 119.300 -0.049 0.000 2.634 386 C HA 0.715 5.162 4.460 -0.022 0.000 0.313 386 C C -0.120 174.980 174.990 0.184 0.000 1.198 386 C CA -0.783 58.202 59.018 -0.055 0.000 1.605 386 C CB 1.611 29.149 27.740 -0.337 0.000 2.196 386 C HN 0.721 nan 8.230 nan 0.000 0.486 387 I N 1.618 122.356 120.570 0.280 0.000 2.865 387 I HA 0.708 4.865 4.170 -0.022 0.000 0.302 387 I C -0.862 175.367 176.117 0.186 0.000 1.140 387 I CA -0.514 60.960 61.300 0.290 0.000 1.021 387 I CB 1.668 39.725 38.000 0.094 0.000 1.233 387 I HN 0.806 nan 8.210 nan 0.000 0.427 388 R N 4.238 124.713 120.500 -0.042 0.000 2.621 388 R HA 0.811 5.138 4.340 -0.022 0.000 0.284 388 R C -1.217 174.943 176.300 -0.233 0.000 0.998 388 R CA -0.390 55.511 56.100 -0.331 0.000 0.895 388 R CB 2.122 31.825 30.300 -0.994 0.000 1.195 388 R HN 0.922 nan 8.270 nan 0.000 0.450 389 G N 1.544 110.225 108.800 -0.198 0.000 2.325 389 G HA2 0.037 3.984 3.960 -0.022 0.000 0.297 389 G HA3 0.037 3.984 3.960 -0.022 0.000 0.297 389 G C -0.854 173.968 174.900 -0.131 0.000 1.448 389 G CA -0.653 44.356 45.100 -0.151 0.000 0.838 389 G HN 0.530 nan 8.290 nan 0.000 0.579 390 D N 0.195 120.524 120.400 -0.119 0.000 2.378 390 D HA -0.063 4.564 4.640 -0.022 0.000 0.222 390 D C 2.439 178.678 176.300 -0.103 0.000 0.980 390 D CA 1.100 55.034 54.000 -0.109 0.000 0.907 390 D CB 0.331 41.064 40.800 -0.112 0.000 0.899 390 D HN 0.529 nan 8.370 nan 0.000 0.527 391 Q N 0.977 120.716 119.800 -0.102 0.000 2.432 391 Q HA -0.046 4.280 4.340 -0.022 0.000 0.205 391 Q C 1.292 177.239 176.000 -0.088 0.000 0.945 391 Q CA 0.048 55.795 55.803 -0.094 0.000 0.924 391 Q CB -0.489 28.193 28.738 -0.092 0.000 1.016 391 Q HN 0.431 nan 8.270 nan 0.000 0.503 392 I N -0.582 119.932 120.570 -0.092 0.000 3.004 392 I HA 0.209 4.366 4.170 -0.022 0.000 0.287 392 I C 0.850 176.911 176.117 -0.093 0.000 1.144 392 I CA -1.095 60.150 61.300 -0.092 0.000 1.353 392 I CB 0.523 38.471 38.000 -0.088 0.000 1.417 392 I HN 0.043 nan 8.210 nan 0.000 0.602 393 M N 2.230 121.764 119.600 -0.110 0.000 2.240 393 M HA 0.141 4.608 4.480 -0.022 0.000 0.317 393 M C 0.897 177.127 176.300 -0.116 0.000 1.087 393 M CA 0.135 55.361 55.300 -0.124 0.000 1.176 393 M CB 0.535 33.020 32.600 -0.192 0.000 1.439 393 M HN 0.786 nan 8.290 nan 0.000 0.452 394 K N 1.163 121.504 120.400 -0.099 0.000 2.103 394 K HA 0.214 4.521 4.320 -0.022 0.000 0.204 394 K C 0.539 177.082 176.600 -0.096 0.000 1.052 394 K CA 1.290 57.532 56.287 -0.076 0.000 0.945 394 K CB 0.064 32.535 32.500 -0.048 0.000 0.722 394 K HN 1.023 nan 8.250 nan 0.000 0.443 395 G N -1.261 107.451 108.800 -0.147 0.000 2.341 395 G HA2 0.091 4.038 3.960 -0.022 0.000 0.293 395 G HA3 0.091 4.038 3.960 -0.022 0.000 0.293 395 G C -1.935 172.836 174.900 -0.215 0.000 1.298 395 G CA -0.937 44.050 45.100 -0.189 0.000 0.868 395 G HN 0.047 nan 8.290 nan 0.000 0.540 396 Y N -0.343 119.937 120.300 -0.034 0.000 2.304 396 Y HA 0.544 5.083 4.550 -0.018 0.000 0.328 396 Y C 0.919 176.787 175.900 -0.054 0.000 1.123 396 Y CA -0.537 57.528 58.100 -0.059 0.000 1.218 396 Y CB 1.550 39.980 38.460 -0.050 0.000 1.207 396 Y HN 0.548 nan 8.280 nan 0.000 0.495 397 L N 5.279 126.561 121.223 0.098 0.000 2.534 397 L HA 0.088 4.415 4.340 -0.022 0.000 0.271 397 L C 0.384 177.288 176.870 0.056 0.000 1.178 397 L CA 0.059 54.927 54.840 0.047 0.000 0.907 397 L CB -0.365 41.701 42.059 0.011 0.000 1.164 397 L HN 0.756 nan 8.230 nan 0.000 0.482 398 N N 2.957 121.687 118.700 0.051 0.000 2.696 398 N HA -0.253 4.474 4.740 -0.022 0.000 0.249 398 N C -0.564 174.971 175.510 0.041 0.000 1.090 398 N CA 1.282 54.358 53.050 0.043 0.000 0.716 398 N CB -0.994 37.517 38.487 0.041 0.000 1.020 398 N HN 0.744 nan 8.380 nan 0.000 0.548 399 D N -0.976 119.459 120.400 0.059 0.000 2.621 399 D HA 0.169 4.796 4.640 -0.022 0.000 0.274 399 D C -1.510 174.837 176.300 0.079 0.000 1.215 399 D CA -1.253 52.777 54.000 0.049 0.000 0.810 399 D CB 1.040 41.847 40.800 0.012 0.000 1.248 399 D HN 0.023 nan 8.370 nan 0.000 0.517 400 P HA -0.126 nan 4.420 nan 0.000 0.217 400 P C 1.035 178.370 177.300 0.059 0.000 1.150 400 P CA 0.909 64.044 63.100 0.058 0.000 0.832 400 P CB 0.751 32.474 31.700 0.037 0.000 0.787 401 E N 0.100 120.325 120.200 0.042 0.000 2.106 401 E HA -0.075 4.262 4.350 -0.022 0.000 0.192 401 E C 2.262 178.890 176.600 0.047 0.000 0.984 401 E CA 1.048 57.468 56.400 0.033 0.000 0.806 401 E CB -0.413 29.295 29.700 0.014 0.000 0.750 401 E HN 0.212 nan 8.360 nan 0.000 0.458 402 A N 0.973 123.822 122.820 0.049 0.000 1.930 402 A HA -0.139 4.168 4.320 -0.022 0.000 0.217 402 A C 2.356 180.100 177.584 0.267 0.000 1.175 402 A CA 1.624 53.695 52.037 0.057 0.000 0.627 402 A CB -0.709 18.188 19.000 -0.172 0.000 0.815 402 A HN 0.140 nan 8.150 nan 0.000 0.443 403 T N -0.612 114.122 114.554 0.301 0.000 2.746 403 T HA -0.123 4.214 4.350 -0.022 0.000 0.267 403 T C 2.253 177.024 174.700 0.118 0.000 1.039 403 T CA 1.687 63.920 62.100 0.222 0.000 1.142 403 T CB -0.304 68.636 68.868 0.119 0.000 0.866 403 T HN 0.502 nan 8.240 nan 0.000 0.444 404 S N 1.335 117.087 115.700 0.087 0.000 2.399 404 S HA -0.128 4.329 4.470 -0.022 0.000 0.231 404 S C 2.039 176.662 174.600 0.039 0.000 1.022 404 S CA 1.095 59.326 58.200 0.052 0.000 0.983 404 S CB -0.167 63.055 63.200 0.037 0.000 0.803 404 S HN 0.664 nan 8.310 nan 0.000 0.480 405 R N -0.455 120.075 120.500 0.049 0.000 2.310 405 R HA 0.205 4.532 4.340 -0.022 0.000 0.202 405 R C 1.226 177.543 176.300 0.028 0.000 0.933 405 R CA 0.947 57.056 56.100 0.015 0.000 1.054 405 R CB -0.381 29.928 30.300 0.015 0.000 0.985 405 R HN 0.227 nan 8.270 nan 0.000 0.489 406 T N 0.461 115.072 114.554 0.095 0.000 3.056 406 T HA 0.334 4.671 4.350 -0.022 0.000 0.241 406 T C 0.614 175.404 174.700 0.151 0.000 1.006 406 T CA 0.183 62.367 62.100 0.140 0.000 1.115 406 T CB 0.359 69.361 68.868 0.223 0.000 0.939 406 T HN 0.039 nan 8.240 nan 0.000 0.462 407 I N 3.712 124.349 120.570 0.112 0.000 2.355 407 I HA 0.314 4.470 4.170 -0.022 0.000 0.288 407 I C -0.529 175.667 176.117 0.132 0.000 0.999 407 I CA -1.106 60.277 61.300 0.139 0.000 1.163 407 I CB 1.516 39.548 38.000 0.054 0.000 1.316 407 I HN 0.257 nan 8.210 nan 0.000 0.454 408 D N 5.653 126.186 120.400 0.222 0.000 2.414 408 D HA 0.107 4.734 4.640 -0.022 0.000 0.251 408 D C 0.711 177.095 176.300 0.140 0.000 1.252 408 D CA -0.433 53.666 54.000 0.165 0.000 0.999 408 D CB 0.783 41.731 40.800 0.247 0.000 1.093 408 D HN 0.345 nan 8.370 nan 0.000 0.515 409 K N -0.744 119.723 120.400 0.112 0.000 2.360 409 K HA -0.139 4.167 4.320 -0.022 0.000 0.201 409 K C 0.946 177.599 176.600 0.089 0.000 1.046 409 K CA 1.196 57.532 56.287 0.082 0.000 0.940 409 K CB -0.106 32.434 32.500 0.066 0.000 0.748 409 K HN 0.507 nan 8.250 nan 0.000 0.465 410 E N -0.505 119.790 120.200 0.158 0.000 2.476 410 E HA 0.072 4.408 4.350 -0.022 0.000 0.196 410 E C 0.554 177.135 176.600 -0.032 0.000 1.029 410 E CA 0.095 56.572 56.400 0.129 0.000 0.896 410 E CB 0.776 30.655 29.700 0.299 0.000 1.012 410 E HN 0.438 nan 8.360 nan 0.000 0.475 411 G N 1.131 109.929 108.800 -0.004 0.000 2.157 411 G HA2 -0.245 3.701 3.960 -0.022 0.000 0.248 411 G HA3 -0.245 3.701 3.960 -0.022 0.000 0.248 411 G C -0.407 174.410 174.900 -0.139 0.000 0.979 411 G CA -0.290 44.742 45.100 -0.114 0.000 0.650 411 G HN 0.208 nan 8.290 nan 0.000 0.529 412 W N 0.009 121.341 121.300 0.053 0.000 2.316 412 W HA 0.665 5.319 4.660 -0.010 0.000 0.311 412 W C 0.501 177.071 176.519 0.085 0.000 1.217 412 W CA -1.019 56.344 57.345 0.031 0.000 1.199 412 W CB 0.867 30.320 29.460 -0.010 0.000 1.202 412 W HN 0.221 nan 8.180 nan 0.000 0.528 413 L N 5.203 126.576 121.223 0.250 0.000 2.290 413 L HA 0.275 4.602 4.340 -0.022 0.000 0.284 413 L C -0.192 176.776 176.870 0.165 0.000 1.078 413 L CA -0.225 54.727 54.840 0.187 0.000 0.815 413 L CB -0.043 42.060 42.059 0.073 0.000 1.162 413 L HN 0.368 nan 8.230 nan 0.000 0.435 414 H N 4.066 123.207 119.070 0.117 0.000 2.594 414 H HA 0.158 4.699 4.556 -0.024 0.000 0.304 414 H C 0.673 176.054 175.328 0.088 0.000 1.068 414 H CA 0.456 56.564 56.048 0.100 0.000 1.308 414 H CB 1.260 31.074 29.762 0.086 0.000 1.409 414 H HN 0.843 nan 8.280 nan 0.000 0.460 415 T N -0.183 114.457 114.554 0.144 0.000 2.985 415 T HA 0.036 4.372 4.350 -0.022 0.000 0.266 415 T C 1.706 176.487 174.700 0.135 0.000 1.076 415 T CA 0.632 62.811 62.100 0.132 0.000 1.135 415 T CB 0.169 69.127 68.868 0.150 0.000 0.890 415 T HN 0.837 nan 8.240 nan 0.000 0.480 416 G N 1.246 110.125 108.800 0.133 0.000 2.159 416 G HA2 -0.181 3.766 3.960 -0.022 0.000 0.256 416 G HA3 -0.181 3.766 3.960 -0.022 0.000 0.256 416 G C -0.404 174.547 174.900 0.086 0.000 0.977 416 G CA 0.151 45.315 45.100 0.108 0.000 0.652 416 G HN 0.617 nan 8.290 nan 0.000 0.531 417 D N 0.319 120.773 120.400 0.090 0.000 2.163 417 D HA 0.582 5.209 4.640 -0.022 0.000 0.248 417 D C 0.385 176.699 176.300 0.023 0.000 1.035 417 D CA -0.325 53.707 54.000 0.054 0.000 0.872 417 D CB 1.431 42.274 40.800 0.072 0.000 1.183 417 D HN 0.036 nan 8.370 nan 0.000 0.445 418 I N 1.382 121.949 120.570 -0.005 0.000 2.354 418 I HA 0.586 4.742 4.170 -0.022 0.000 0.292 418 I C 0.879 176.974 176.117 -0.036 0.000 0.989 418 I CA -0.317 60.981 61.300 -0.003 0.000 1.188 418 I CB 0.912 38.920 38.000 0.014 0.000 1.342 418 I HN 0.405 nan 8.210 nan 0.000 0.457 419 G N 5.766 114.548 108.800 -0.030 0.000 2.606 419 G HA2 0.684 4.630 3.960 -0.022 0.000 0.300 419 G HA3 0.684 4.630 3.960 -0.022 0.000 0.300 419 G C -2.033 172.873 174.900 0.010 0.000 1.360 419 G CA -0.453 44.602 45.100 -0.075 0.000 0.783 419 G HN 0.512 nan 8.290 nan 0.000 0.484 420 Y N -1.817 118.444 120.300 -0.065 0.000 2.625 420 Y HA 0.820 5.357 4.550 -0.022 0.000 0.338 420 Y C -1.221 174.610 175.900 -0.115 0.000 1.123 420 Y CA -1.783 56.253 58.100 -0.107 0.000 1.046 420 Y CB 1.283 39.686 38.460 -0.094 0.000 1.299 420 Y HN 0.524 nan 8.280 nan 0.000 0.464 421 I N 3.311 123.841 120.570 -0.067 0.000 2.433 421 I HA 0.280 4.436 4.170 -0.022 0.000 0.292 421 I C -0.771 175.366 176.117 0.034 0.000 1.001 421 I CA -0.783 60.398 61.300 -0.199 0.000 1.119 421 I CB 1.596 39.169 38.000 -0.711 0.000 1.289 421 I HN 0.816 nan 8.210 nan 0.000 0.438 422 D N 3.096 123.589 120.400 0.155 0.000 2.478 422 D HA 0.019 4.645 4.640 -0.022 0.000 0.269 422 D C 0.598 176.957 176.300 0.099 0.000 1.232 422 D CA -0.349 53.757 54.000 0.175 0.000 1.059 422 D CB 0.515 41.470 40.800 0.260 0.000 1.104 422 D HN 0.506 nan 8.370 nan 0.000 0.566 423 D N -1.757 118.695 120.400 0.086 0.000 2.309 423 D HA -0.108 4.519 4.640 -0.022 0.000 0.212 423 D C 0.129 176.477 176.300 0.080 0.000 0.968 423 D CA 0.864 54.910 54.000 0.076 0.000 0.882 423 D CB 0.041 40.872 40.800 0.052 0.000 0.918 423 D HN 0.271 nan 8.370 nan 0.000 0.503 424 D N -0.008 120.440 120.400 0.081 0.000 2.424 424 D HA 0.019 4.645 4.640 -0.022 0.000 0.220 424 D C -0.141 176.180 176.300 0.035 0.000 1.150 424 D CA -0.021 54.019 54.000 0.067 0.000 0.831 424 D CB 0.381 41.223 40.800 0.070 0.000 0.981 424 D HN 0.138 nan 8.370 nan 0.000 0.500 425 D N 1.304 121.725 120.400 0.036 0.000 2.870 425 D HA -0.166 4.461 4.640 -0.022 0.000 0.228 425 D C -0.189 176.059 176.300 -0.086 0.000 1.147 425 D CA 0.896 54.890 54.000 -0.010 0.000 0.757 425 D CB -0.836 39.967 40.800 0.004 0.000 1.091 425 D HN 0.470 nan 8.370 nan 0.000 0.429 426 E N 0.011 120.166 120.200 -0.074 0.000 2.175 426 E HA 0.421 4.758 4.350 -0.022 0.000 0.278 426 E C -0.035 176.404 176.600 -0.269 0.000 0.969 426 E CA -0.878 55.405 56.400 -0.196 0.000 0.796 426 E CB 1.873 31.461 29.700 -0.186 0.000 1.104 426 E HN 0.050 nan 8.360 nan 0.000 0.395 427 L N 3.822 124.798 121.223 -0.410 0.000 2.312 427 L HA 0.434 4.760 4.340 -0.022 0.000 0.281 427 L C -1.526 174.921 176.870 -0.705 0.000 1.070 427 L CA 0.080 54.663 54.840 -0.428 0.000 0.805 427 L CB 0.268 42.144 42.059 -0.306 0.000 1.174 427 L HN 0.379 nan 8.230 nan 0.000 0.434 428 F N 5.562 125.139 119.950 -0.622 0.000 2.493 428 F HA 0.511 5.025 4.527 -0.022 0.000 0.329 428 F C -0.091 175.370 175.800 -0.565 0.000 1.126 428 F CA -0.493 57.121 58.000 -0.645 0.000 0.937 428 F CB 1.458 39.876 39.000 -0.969 0.000 1.146 428 F HN 0.248 nan 8.300 nan 0.000 0.442 429 I N 4.538 124.941 120.570 -0.278 0.000 2.315 429 I HA 0.195 4.351 4.170 -0.022 0.000 0.291 429 I C 0.735 176.782 176.117 -0.117 0.000 1.006 429 I CA -0.376 60.770 61.300 -0.257 0.000 1.265 429 I CB 1.418 39.193 38.000 -0.374 0.000 1.387 429 I HN 0.609 nan 8.210 nan 0.000 0.475 430 V N 0.710 120.589 119.914 -0.058 0.000 3.604 430 V HA 0.444 4.550 4.120 -0.022 0.000 0.277 430 V C 0.062 176.156 176.094 0.001 0.000 1.399 430 V CA 0.347 62.650 62.300 0.004 0.000 1.034 430 V CB 0.407 32.276 31.823 0.078 0.000 0.824 430 V HN 0.742 nan 8.190 nan 0.000 0.439 431 D N -0.091 120.302 120.400 -0.013 0.000 2.738 431 D HA 0.427 5.054 4.640 -0.022 0.000 0.308 431 D C -1.441 174.858 176.300 -0.002 0.000 1.311 431 D CA -0.543 53.456 54.000 -0.001 0.000 0.799 431 D CB 2.486 43.293 40.800 0.011 0.000 1.332 431 D HN 0.202 nan 8.370 nan 0.000 0.441 432 R N 1.481 121.989 120.500 0.012 0.000 2.532 432 R HA 0.368 4.695 4.340 -0.022 0.000 0.297 432 R C 0.030 176.349 176.300 0.032 0.000 0.984 432 R CA -0.543 55.571 56.100 0.024 0.000 0.884 432 R CB 1.226 31.542 30.300 0.028 0.000 1.182 432 R HN 0.289 nan 8.270 nan 0.000 0.442 433 L N 4.121 125.368 121.223 0.040 0.000 2.127 433 L HA 0.089 4.416 4.340 -0.022 0.000 0.203 433 L C 0.397 177.294 176.870 0.046 0.000 1.080 433 L CA 1.476 56.341 54.840 0.042 0.000 0.768 433 L CB -0.220 41.870 42.059 0.052 0.000 0.924 433 L HN 0.553 nan 8.230 nan 0.000 0.444 434 K N 0.215 120.647 120.400 0.054 0.000 2.276 434 K HA -0.009 4.298 4.320 -0.022 0.000 0.259 434 K C 0.769 177.400 176.600 0.052 0.000 1.001 434 K CA 0.255 56.576 56.287 0.056 0.000 0.927 434 K CB 0.227 32.767 32.500 0.067 0.000 0.969 434 K HN 0.332 nan 8.250 nan 0.000 0.490 435 E N 1.453 121.683 120.200 0.051 0.000 2.427 435 E HA -0.096 4.241 4.350 -0.022 0.000 0.196 435 E C 0.460 177.096 176.600 0.060 0.000 1.028 435 E CA -0.204 56.228 56.400 0.052 0.000 0.864 435 E CB -0.197 29.532 29.700 0.048 0.000 0.813 435 E HN 0.469 nan 8.360 nan 0.000 0.514 436 L N 2.211 123.472 121.223 0.062 0.000 2.628 436 L HA -0.019 4.308 4.340 -0.022 0.000 0.292 436 L C -0.369 176.545 176.870 0.073 0.000 1.250 436 L CA 0.927 55.809 54.840 0.070 0.000 0.892 436 L CB 0.249 42.351 42.059 0.071 0.000 1.138 436 L HN 0.094 nan 8.230 nan 0.000 0.502 437 I N 5.583 126.204 120.570 0.085 0.000 2.441 437 I HA 0.372 4.529 4.170 -0.022 0.000 0.295 437 I C -0.240 175.942 176.117 0.110 0.000 0.994 437 I CA -0.766 60.592 61.300 0.097 0.000 1.144 437 I CB 1.264 39.331 38.000 0.111 0.000 1.314 437 I HN 0.525 nan 8.210 nan 0.000 0.445 438 K N 6.340 126.802 120.400 0.102 0.000 2.450 438 K HA 0.318 4.625 4.320 -0.022 0.000 0.257 438 K C -1.489 175.190 176.600 0.131 0.000 0.953 438 K CA -0.730 55.615 56.287 0.096 0.000 0.844 438 K CB 2.369 34.892 32.500 0.039 0.000 1.103 438 K HN 0.483 nan 8.250 nan 0.000 0.429 439 Y N 3.144 123.466 120.300 0.038 0.000 2.356 439 Y HA 0.096 4.633 4.550 -0.023 0.000 0.334 439 Y C -0.055 175.866 175.900 0.035 0.000 0.958 439 Y CA -0.263 57.872 58.100 0.059 0.000 1.196 439 Y CB 0.692 39.220 38.460 0.114 0.000 1.137 439 Y HN 0.651 nan 8.280 nan 0.000 0.485 440 K N 4.933 125.216 120.400 -0.194 0.000 3.071 440 K HA -0.279 4.028 4.320 -0.022 0.000 0.262 440 K C 0.986 177.456 176.600 -0.218 0.000 0.977 440 K CA 0.951 57.143 56.287 -0.158 0.000 0.721 440 K CB -1.625 30.849 32.500 -0.043 0.000 1.293 440 K HN 1.267 nan 8.250 nan 0.000 0.475 441 G N -0.801 107.885 108.800 -0.189 0.000 2.267 441 G HA2 -0.342 3.604 3.960 -0.022 0.000 0.257 441 G HA3 -0.342 3.604 3.960 -0.022 0.000 0.257 441 G C 0.117 174.816 174.900 -0.336 0.000 0.998 441 G CA 0.346 45.283 45.100 -0.271 0.000 0.620 441 G HN 0.257 nan 8.290 nan 0.000 0.529 442 F N 1.887 121.708 119.950 -0.215 0.000 2.389 442 F HA 0.530 5.043 4.527 -0.023 0.000 0.337 442 F C 1.164 176.850 175.800 -0.190 0.000 1.112 442 F CA -0.316 57.456 58.000 -0.379 0.000 1.192 442 F CB 0.822 39.224 39.000 -0.997 0.000 1.185 442 F HN 0.083 nan 8.300 nan 0.000 0.552 443 Q N 1.277 121.136 119.800 0.098 0.000 2.314 443 Q HA 0.443 4.770 4.340 -0.022 0.000 0.258 443 Q C -1.125 175.003 176.000 0.213 0.000 0.954 443 Q CA -0.303 55.578 55.803 0.129 0.000 0.890 443 Q CB 1.595 30.402 28.738 0.116 0.000 1.210 443 Q HN 0.401 nan 8.270 nan 0.000 0.410 444 V N 2.354 122.372 119.914 0.174 0.000 2.385 444 V HA 0.339 4.445 4.120 -0.022 0.000 0.277 444 V C -0.540 175.619 176.094 0.108 0.000 1.012 444 V CA -0.729 61.668 62.300 0.162 0.000 0.832 444 V CB 1.359 33.282 31.823 0.166 0.000 1.028 444 V HN 0.829 nan 8.190 nan 0.000 0.436 445 A N 6.597 129.471 122.820 0.089 0.000 2.396 445 A HA 0.600 4.907 4.320 -0.022 0.000 0.279 445 A C -1.393 176.223 177.584 0.052 0.000 1.165 445 A CA -1.124 50.954 52.037 0.067 0.000 0.824 445 A CB 0.465 19.500 19.000 0.059 0.000 1.100 445 A HN 0.617 nan 8.150 nan 0.000 0.516 446 P HA -0.204 nan 4.420 nan 0.000 0.216 446 P C 1.689 179.015 177.300 0.043 0.000 1.150 446 P CA 2.126 65.258 63.100 0.054 0.000 0.837 446 P CB 0.228 31.966 31.700 0.063 0.000 0.786 447 A N -0.143 122.700 122.820 0.037 0.000 1.972 447 A HA -0.257 4.050 4.320 -0.022 0.000 0.219 447 A C 2.329 179.926 177.584 0.023 0.000 1.169 447 A CA 1.851 53.906 52.037 0.029 0.000 0.635 447 A CB -1.252 17.759 19.000 0.019 0.000 0.810 447 A HN 0.244 nan 8.150 nan 0.000 0.446 448 E N -0.155 120.056 120.200 0.019 0.000 2.047 448 E HA -0.140 4.196 4.350 -0.022 0.000 0.191 448 E C 1.899 178.499 176.600 0.001 0.000 0.987 448 E CA 1.069 57.473 56.400 0.006 0.000 0.799 448 E CB -0.210 29.491 29.700 0.002 0.000 0.752 448 E HN 0.611 nan 8.360 nan 0.000 0.449 449 L N 0.562 121.787 121.223 0.003 0.000 2.141 449 L HA -0.137 4.190 4.340 -0.022 0.000 0.209 449 L C 2.435 179.321 176.870 0.026 0.000 1.094 449 L CA 1.138 55.978 54.840 -0.000 0.000 0.763 449 L CB -0.241 41.815 42.059 -0.005 0.000 0.908 449 L HN 0.188 nan 8.230 nan 0.000 0.437 450 E N 0.082 120.305 120.200 0.037 0.000 2.051 450 E HA -0.226 4.111 4.350 -0.022 0.000 0.192 450 E C 2.313 178.947 176.600 0.056 0.000 0.991 450 E CA 1.259 57.690 56.400 0.053 0.000 0.799 450 E CB -0.163 29.568 29.700 0.053 0.000 0.748 450 E HN 0.486 nan 8.360 nan 0.000 0.449 451 A N 0.854 123.700 122.820 0.043 0.000 1.902 451 A HA -0.172 4.134 4.320 -0.022 0.000 0.217 451 A C 2.159 179.780 177.584 0.061 0.000 1.181 451 A CA 1.106 53.169 52.037 0.044 0.000 0.623 451 A CB -0.617 18.398 19.000 0.025 0.000 0.818 451 A HN 0.151 nan 8.150 nan 0.000 0.443 452 L N -0.873 120.381 121.223 0.052 0.000 2.056 452 L HA -0.162 4.165 4.340 -0.022 0.000 0.207 452 L C 2.574 179.556 176.870 0.187 0.000 1.078 452 L CA 0.969 55.852 54.840 0.071 0.000 0.749 452 L CB -0.536 41.520 42.059 -0.005 0.000 0.901 452 L HN 0.368 nan 8.230 nan 0.000 0.433 453 L N -0.355 120.963 121.223 0.159 0.000 2.017 453 L HA -0.222 4.105 4.340 -0.022 0.000 0.208 453 L C 2.438 179.420 176.870 0.187 0.000 1.073 453 L CA 1.368 56.325 54.840 0.195 0.000 0.745 453 L CB -0.352 41.772 42.059 0.108 0.000 0.894 453 L HN 0.194 nan 8.230 nan 0.000 0.432 454 I N -0.159 120.491 120.570 0.134 0.000 2.567 454 I HA -0.235 3.922 4.170 -0.022 0.000 0.257 454 I C 2.535 178.725 176.117 0.122 0.000 1.184 454 I CA 0.843 62.210 61.300 0.112 0.000 1.451 454 I CB -0.386 37.662 38.000 0.080 0.000 1.089 454 I HN 0.198 nan 8.210 nan 0.000 0.441 455 A N -0.564 122.347 122.820 0.151 0.000 2.168 455 A HA -0.158 4.149 4.320 -0.022 0.000 0.215 455 A C 1.050 178.724 177.584 0.150 0.000 1.152 455 A CA 0.429 52.549 52.037 0.138 0.000 0.716 455 A CB -0.879 18.206 19.000 0.142 0.000 0.794 455 A HN 0.471 nan 8.150 nan 0.000 0.465 456 H N -0.032 119.079 119.070 0.069 0.000 2.886 456 H HA 0.234 4.777 4.556 -0.022 0.000 0.329 456 H C -1.714 173.556 175.328 -0.096 0.000 1.044 456 H CA -1.128 54.841 56.048 -0.131 0.000 1.456 456 H CB 0.980 30.547 29.762 -0.325 0.000 1.464 456 H HN -0.003 nan 8.280 nan 0.000 0.573 457 P HA -0.159 nan 4.420 nan 0.000 0.218 457 P C 0.162 177.468 177.300 0.009 0.000 1.148 457 P CA 1.531 64.546 63.100 -0.142 0.000 0.822 457 P CB 0.277 31.837 31.700 -0.233 0.000 0.784 458 E N -1.274 119.050 120.200 0.206 0.000 2.444 458 E HA 0.161 4.497 4.350 -0.022 0.000 0.191 458 E C 0.252 176.924 176.600 0.121 0.000 1.041 458 E CA -0.097 56.405 56.400 0.170 0.000 0.883 458 E CB 0.098 29.893 29.700 0.160 0.000 1.024 458 E HN 0.304 nan 8.360 nan 0.000 0.470 459 I N 0.937 121.593 120.570 0.143 0.000 2.436 459 I HA 0.054 4.211 4.170 -0.022 0.000 0.289 459 I C 1.066 177.231 176.117 0.080 0.000 1.010 459 I CA -0.270 61.081 61.300 0.086 0.000 1.098 459 I CB 1.938 39.980 38.000 0.071 0.000 1.266 459 I HN -0.033 nan 8.210 nan 0.000 0.434 460 S N 2.477 118.217 115.700 0.067 0.000 2.483 460 S HA 0.187 4.643 4.470 -0.022 0.000 0.221 460 S C 0.244 174.881 174.600 0.061 0.000 1.030 460 S CA 0.145 58.379 58.200 0.056 0.000 0.925 460 S CB 0.319 63.545 63.200 0.044 0.000 0.795 460 S HN 0.688 nan 8.310 nan 0.000 0.511 461 D N -0.575 119.870 120.400 0.075 0.000 2.622 461 D HA 0.759 5.385 4.640 -0.022 0.000 0.255 461 D C -1.488 174.870 176.300 0.097 0.000 1.246 461 D CA 0.123 54.169 54.000 0.077 0.000 0.795 461 D CB 1.923 42.763 40.800 0.067 0.000 1.369 461 D HN 0.432 nan 8.370 nan 0.000 0.425 462 A N 0.033 122.910 122.820 0.095 0.000 2.586 462 A HA 0.848 5.155 4.320 -0.022 0.000 0.291 462 A C -1.817 175.836 177.584 0.115 0.000 1.062 462 A CA -0.010 52.096 52.037 0.116 0.000 0.666 462 A CB 1.339 20.398 19.000 0.099 0.000 1.281 462 A HN 0.964 nan 8.150 nan 0.000 0.421 463 A N 0.182 123.098 122.820 0.159 0.000 2.488 463 A HA 0.710 5.017 4.320 -0.022 0.000 0.298 463 A C -1.372 176.335 177.584 0.206 0.000 1.044 463 A CA -0.418 51.714 52.037 0.157 0.000 0.693 463 A CB 1.450 20.533 19.000 0.139 0.000 1.272 463 A HN 1.655 nan 8.150 nan 0.000 0.402 464 V N 2.594 122.597 119.914 0.149 0.000 2.495 464 V HA 0.713 4.819 4.120 -0.022 0.000 0.298 464 V C 0.018 176.202 176.094 0.149 0.000 1.031 464 V CA -0.342 62.039 62.300 0.136 0.000 0.871 464 V CB 1.445 33.314 31.823 0.076 0.000 0.988 464 V HN 1.302 nan 8.190 nan 0.000 0.432 465 V N 1.605 121.625 119.914 0.176 0.000 3.102 465 V HA 0.999 5.106 4.120 -0.022 0.000 0.312 465 V C 0.221 176.396 176.094 0.136 0.000 1.135 465 V CA -0.688 61.711 62.300 0.165 0.000 1.022 465 V CB 1.896 33.855 31.823 0.228 0.000 1.056 465 V HN 0.910 nan 8.190 nan 0.000 0.436 466 G N 1.495 110.366 108.800 0.118 0.000 2.338 466 G HA2 0.575 4.521 3.960 -0.022 0.000 0.298 466 G HA3 0.575 4.521 3.960 -0.022 0.000 0.298 466 G C -1.100 173.864 174.900 0.106 0.000 1.140 466 G CA -0.436 44.729 45.100 0.108 0.000 0.860 466 G HN 1.021 nan 8.290 nan 0.000 0.470 467 L N 1.841 123.126 121.223 0.104 0.000 2.296 467 L HA 0.570 4.897 4.340 -0.022 0.000 0.286 467 L C 0.034 176.950 176.870 0.076 0.000 1.023 467 L CA -1.170 53.728 54.840 0.096 0.000 0.812 467 L CB 1.141 43.262 42.059 0.103 0.000 1.223 467 L HN 0.346 nan 8.230 nan 0.000 0.421 468 K N 3.586 124.022 120.400 0.060 0.000 2.524 468 K HA 0.156 4.463 4.320 -0.022 0.000 0.279 468 K C -0.443 176.179 176.600 0.038 0.000 0.993 468 K CA 0.637 56.949 56.287 0.042 0.000 1.030 468 K CB 0.030 32.550 32.500 0.034 0.000 0.891 468 K HN 0.551 nan 8.250 nan 0.000 0.488 469 D N 1.953 122.365 120.400 0.021 0.000 2.763 469 D HA 0.127 4.754 4.640 -0.022 0.000 0.235 469 D C 0.652 176.944 176.300 -0.012 0.000 1.334 469 D CA -0.039 53.968 54.000 0.010 0.000 0.950 469 D CB 1.231 42.038 40.800 0.012 0.000 1.433 469 D HN 0.481 nan 8.370 nan 0.000 0.580 470 E N 2.387 122.585 120.200 -0.004 0.000 2.130 470 E HA -0.220 4.117 4.350 -0.022 0.000 0.196 470 E C 1.467 178.053 176.600 -0.024 0.000 0.998 470 E CA 2.518 58.913 56.400 -0.008 0.000 0.806 470 E CB -1.052 28.650 29.700 0.003 0.000 0.738 470 E HN 0.763 nan 8.360 nan 0.000 0.459 471 D N -0.644 119.738 120.400 -0.031 0.000 2.137 471 D HA 0.435 5.061 4.640 -0.022 0.000 0.202 471 D C 2.108 178.337 176.300 -0.118 0.000 0.970 471 D CA 1.949 55.921 54.000 -0.047 0.000 0.837 471 D CB -0.253 40.534 40.800 -0.023 0.000 0.981 471 D HN 0.801 nan 8.370 nan 0.000 0.475 472 A N -2.346 120.357 122.820 -0.195 0.000 2.382 472 A HA 0.583 4.890 4.320 -0.022 0.000 0.228 472 A C 2.249 179.684 177.584 -0.250 0.000 1.217 472 A CA 1.295 53.099 52.037 -0.389 0.000 0.923 472 A CB 0.277 18.733 19.000 -0.908 0.000 0.979 472 A HN 1.551 nan 8.150 nan 0.000 0.515 473 G N -0.562 108.164 108.800 -0.124 0.000 3.757 473 G HA2 -0.222 3.725 3.960 -0.022 0.000 0.215 473 G HA3 -0.222 3.725 3.960 -0.022 0.000 0.215 473 G C 0.045 174.932 174.900 -0.021 0.000 1.411 473 G CA 0.302 45.364 45.100 -0.063 0.000 0.896 473 G HN 0.588 nan 8.290 nan 0.000 0.581 474 E N -0.473 119.724 120.200 -0.006 0.000 2.331 474 E HA 0.542 4.878 4.350 -0.022 0.000 0.275 474 E C -0.783 175.910 176.600 0.154 0.000 0.895 474 E CA -0.378 56.063 56.400 0.068 0.000 0.753 474 E CB 3.192 32.943 29.700 0.085 0.000 1.216 474 E HN 1.040 nan 8.360 nan 0.000 0.434 475 V N -0.449 119.567 119.914 0.170 0.000 2.656 475 V HA 0.686 4.792 4.120 -0.022 0.000 0.307 475 V C -2.744 173.442 176.094 0.153 0.000 1.051 475 V CA -2.571 59.876 62.300 0.246 0.000 0.893 475 V CB 1.730 33.679 31.823 0.211 0.000 0.999 475 V HN 0.491 nan 8.190 nan 0.000 0.426 476 P HA 0.425 nan 4.420 nan 0.000 0.280 476 P C -0.570 176.737 177.300 0.012 0.000 1.244 476 P CA -0.069 63.071 63.100 0.066 0.000 0.784 476 P CB 1.664 33.388 31.700 0.040 0.000 0.913 477 V N -0.074 119.844 119.914 0.006 0.000 2.876 477 V HA 0.951 5.057 4.120 -0.022 0.000 0.312 477 V C -0.737 175.298 176.094 -0.099 0.000 1.085 477 V CA -1.392 60.855 62.300 -0.088 0.000 0.945 477 V CB 1.704 33.506 31.823 -0.036 0.000 1.017 477 V HN 0.694 nan 8.190 nan 0.000 0.428 478 A N 2.935 125.612 122.820 -0.240 0.000 2.365 478 A HA 0.917 5.224 4.320 -0.022 0.000 0.318 478 A C -1.283 176.136 177.584 -0.274 0.000 1.091 478 A CA -0.480 51.462 52.037 -0.157 0.000 0.763 478 A CB 1.286 20.216 19.000 -0.115 0.000 1.248 478 A HN 0.812 nan 8.150 nan 0.000 0.442 479 F N 1.611 121.590 119.950 0.048 0.000 2.411 479 F HA 0.543 5.057 4.527 -0.023 0.000 0.352 479 F C 0.097 175.921 175.800 0.041 0.000 1.123 479 F CA -0.266 57.781 58.000 0.079 0.000 1.044 479 F CB 2.097 41.157 39.000 0.101 0.000 1.135 479 F HN 0.285 nan 8.300 nan 0.000 0.461 480 V N 4.347 124.364 119.914 0.171 0.000 2.604 480 V HA 0.491 4.598 4.120 -0.022 0.000 0.305 480 V C -0.728 175.550 176.094 0.307 0.000 1.043 480 V CA -0.924 61.495 62.300 0.197 0.000 0.888 480 V CB 2.244 34.153 31.823 0.144 0.000 0.995 480 V HN 0.392 nan 8.190 nan 0.000 0.429 481 V N 4.917 124.961 119.914 0.217 0.000 2.313 481 V HA 0.370 4.477 4.120 -0.022 0.000 0.278 481 V C 0.295 176.464 176.094 0.125 0.000 1.017 481 V CA -0.887 61.516 62.300 0.172 0.000 0.823 481 V CB 1.027 32.919 31.823 0.115 0.000 1.010 481 V HN 0.802 nan 8.190 nan 0.000 0.443 482 K N 2.345 122.797 120.400 0.087 0.000 2.168 482 K HA 0.397 4.704 4.320 -0.022 0.000 0.258 482 K C 0.719 177.318 176.600 -0.003 0.000 1.010 482 K CA -0.245 56.042 56.287 0.001 0.000 0.929 482 K CB 0.839 33.248 32.500 -0.152 0.000 0.998 482 K HN 0.778 nan 8.250 nan 0.000 0.479 483 S N -0.015 115.682 115.700 -0.005 0.000 2.593 483 S HA -0.038 4.419 4.470 -0.022 0.000 0.269 483 S C 1.251 175.838 174.600 -0.020 0.000 1.334 483 S CA -0.465 57.735 58.200 -0.001 0.000 1.015 483 S CB 1.270 64.473 63.200 0.005 0.000 0.912 483 S HN 0.825 nan 8.310 nan 0.000 0.541 484 E N 1.927 122.119 120.200 -0.013 0.000 2.119 484 E HA -0.310 4.027 4.350 -0.022 0.000 0.221 484 E C 0.833 177.415 176.600 -0.031 0.000 1.062 484 E CA 2.022 58.411 56.400 -0.019 0.000 0.894 484 E CB -0.193 29.500 29.700 -0.012 0.000 0.785 484 E HN 0.779 nan 8.360 nan 0.000 0.472 485 K N 0.370 120.751 120.400 -0.031 0.000 2.498 485 K HA 0.184 4.490 4.320 -0.022 0.000 0.207 485 K C -0.209 176.361 176.600 -0.050 0.000 1.033 485 K CA -0.195 56.069 56.287 -0.038 0.000 1.138 485 K CB 1.001 33.484 32.500 -0.027 0.000 0.860 485 K HN -0.041 nan 8.250 nan 0.000 0.490 486 S N 1.108 116.770 115.700 -0.063 0.000 2.549 486 S HA 0.001 4.458 4.470 -0.022 0.000 0.286 486 S C 0.781 175.313 174.600 -0.113 0.000 1.314 486 S CA -0.067 58.087 58.200 -0.078 0.000 1.062 486 S CB 0.589 63.736 63.200 -0.088 0.000 0.865 486 S HN 0.200 nan 8.310 nan 0.000 0.498 487 Q N 2.139 121.884 119.800 -0.091 0.000 2.194 487 Q HA 0.320 4.647 4.340 -0.022 0.000 0.214 487 Q C 0.458 176.398 176.000 -0.100 0.000 0.838 487 Q CA -0.047 55.699 55.803 -0.095 0.000 0.972 487 Q CB 0.365 29.071 28.738 -0.054 0.000 1.131 487 Q HN 0.773 nan 8.270 nan 0.000 0.498 488 A N 1.826 124.578 122.820 -0.112 0.000 2.531 488 A HA 0.277 4.584 4.320 -0.022 0.000 0.236 488 A C 0.756 178.297 177.584 -0.072 0.000 1.062 488 A CA 0.396 52.387 52.037 -0.077 0.000 0.760 488 A CB 0.064 19.014 19.000 -0.084 0.000 0.995 488 A HN 0.266 nan 8.150 nan 0.000 0.501 489 T N -0.832 113.749 114.554 0.044 0.000 2.937 489 T HA 0.423 4.760 4.350 -0.022 0.000 0.283 489 T C 0.944 175.795 174.700 0.251 0.000 1.012 489 T CA 0.102 62.291 62.100 0.148 0.000 0.997 489 T CB 1.267 70.184 68.868 0.081 0.000 1.136 489 T HN 0.727 nan 8.240 nan 0.000 0.551 490 E N 0.270 120.611 120.200 0.235 0.000 2.058 490 E HA -0.240 4.097 4.350 -0.022 0.000 0.194 490 E C 1.251 177.837 176.600 -0.024 0.000 0.997 490 E CA 1.812 58.215 56.400 0.005 0.000 0.801 490 E CB -0.165 29.468 29.700 -0.112 0.000 0.746 490 E HN 0.673 nan 8.360 nan 0.000 0.450 491 D N 0.295 120.697 120.400 0.003 0.000 2.178 491 D HA -0.144 4.483 4.640 -0.022 0.000 0.202 491 D C 1.772 178.083 176.300 0.019 0.000 0.974 491 D CA 0.959 54.957 54.000 -0.002 0.000 0.841 491 D CB -0.122 40.681 40.800 0.005 0.000 0.953 491 D HN 0.400 nan 8.370 nan 0.000 0.478 492 E N 0.298 120.520 120.200 0.037 0.000 2.106 492 E HA -0.116 4.221 4.350 -0.022 0.000 0.192 492 E C 2.155 178.790 176.600 0.059 0.000 0.984 492 E CA 0.415 56.845 56.400 0.050 0.000 0.806 492 E CB 0.172 29.898 29.700 0.043 0.000 0.750 492 E HN 0.235 nan 8.360 nan 0.000 0.458 493 I N 1.608 122.191 120.570 0.021 0.000 2.252 493 I HA -0.209 3.948 4.170 -0.022 0.000 0.245 493 I C 2.087 178.241 176.117 0.063 0.000 1.102 493 I CA 1.315 62.615 61.300 0.001 0.000 1.385 493 I CB -0.839 37.131 38.000 -0.050 0.000 1.064 493 I HN 0.064 nan 8.210 nan 0.000 0.414 494 K N 0.592 120.994 120.400 0.003 0.000 2.097 494 K HA -0.186 4.121 4.320 -0.022 0.000 0.206 494 K C 2.043 178.652 176.600 0.015 0.000 1.049 494 K CA 1.186 57.463 56.287 -0.017 0.000 0.933 494 K CB -0.185 32.282 32.500 -0.055 0.000 0.717 494 K HN 0.467 nan 8.250 nan 0.000 0.442 495 Q N -0.284 119.543 119.800 0.045 0.000 2.119 495 Q HA -0.184 4.143 4.340 -0.022 0.000 0.201 495 Q C 1.963 178.016 176.000 0.090 0.000 0.972 495 Q CA 1.325 57.160 55.803 0.053 0.000 0.847 495 Q CB -0.217 28.559 28.738 0.063 0.000 0.903 495 Q HN 0.340 nan 8.270 nan 0.000 0.433 496 Y N 1.118 121.426 120.300 0.013 0.000 2.181 496 Y HA -0.241 4.296 4.550 -0.022 0.000 0.288 496 Y C 1.817 177.728 175.900 0.019 0.000 1.146 496 Y CA 1.200 59.328 58.100 0.046 0.000 1.164 496 Y CB 0.011 38.533 38.460 0.103 0.000 0.982 496 Y HN 0.039 nan 8.280 nan 0.000 0.515 497 I N -1.014 119.521 120.570 -0.058 0.000 2.333 497 I HA -0.204 3.953 4.170 -0.022 0.000 0.246 497 I C 2.639 178.664 176.117 -0.154 0.000 1.106 497 I CA 1.534 62.737 61.300 -0.161 0.000 1.411 497 I CB -1.592 36.369 38.000 -0.065 0.000 1.082 497 I HN 0.239 nan 8.210 nan 0.000 0.420 498 S N 0.836 116.479 115.700 -0.094 0.000 2.400 498 S HA -0.193 4.264 4.470 -0.022 0.000 0.232 498 S C 1.874 176.420 174.600 -0.089 0.000 1.025 498 S CA 1.423 59.572 58.200 -0.085 0.000 0.993 498 S CB -0.109 63.063 63.200 -0.046 0.000 0.808 498 S HN 0.411 nan 8.310 nan 0.000 0.478 499 K N -0.026 120.315 120.400 -0.098 0.000 2.366 499 K HA 0.066 4.372 4.320 -0.022 0.000 0.198 499 K C 2.086 178.612 176.600 -0.122 0.000 1.044 499 K CA 0.820 57.054 56.287 -0.089 0.000 0.973 499 K CB 0.002 32.460 32.500 -0.070 0.000 0.767 499 K HN 0.512 nan 8.250 nan 0.000 0.475 500 Q N 0.228 119.921 119.800 -0.178 0.000 2.350 500 Q HA 0.061 4.387 4.340 -0.022 0.000 0.225 500 Q C 0.437 176.336 176.000 -0.167 0.000 0.878 500 Q CA 0.030 55.724 55.803 -0.183 0.000 0.935 500 Q CB 1.028 29.615 28.738 -0.251 0.000 1.099 500 Q HN 0.113 nan 8.270 nan 0.000 0.527 501 V N -1.955 117.853 119.914 -0.178 0.000 2.919 501 V HA 0.484 4.590 4.120 -0.022 0.000 0.316 501 V C 0.031 175.975 176.094 -0.249 0.000 1.077 501 V CA -1.373 60.798 62.300 -0.216 0.000 0.977 501 V CB 1.769 33.450 31.823 -0.237 0.000 1.039 501 V HN 0.118 nan 8.190 nan 0.000 0.441 502 I N 2.951 123.299 120.570 -0.370 0.000 2.892 502 I HA 0.104 4.261 4.170 -0.022 0.000 0.287 502 I C 1.555 177.326 176.117 -0.578 0.000 1.205 502 I CA 0.116 61.135 61.300 -0.468 0.000 1.409 502 I CB 0.808 38.351 38.000 -0.762 0.000 1.367 502 I HN 0.915 nan 8.210 nan 0.000 0.597 503 F N 6.219 125.949 119.950 -0.366 0.000 2.111 503 F HA -0.347 4.167 4.527 -0.022 0.000 0.300 503 F C 1.667 177.258 175.800 -0.349 0.000 1.088 503 F CA 1.595 59.423 58.000 -0.285 0.000 1.243 503 F CB -1.597 37.291 39.000 -0.187 0.000 0.996 503 F HN 0.598 nan 8.300 nan 0.000 0.483 504 Y N -0.023 119.558 120.300 -1.198 0.000 2.583 504 Y HA 0.312 4.849 4.550 -0.023 0.000 0.293 504 Y C 1.428 176.851 175.900 -0.794 0.000 1.157 504 Y CA -0.108 57.305 58.100 -1.146 0.000 1.315 504 Y CB -1.097 36.599 38.460 -1.273 0.000 1.021 504 Y HN 0.100 nan 8.280 nan 0.000 0.536 505 K N 0.871 120.863 120.400 -0.681 0.000 2.374 505 K HA 0.172 4.479 4.320 -0.022 0.000 0.196 505 K C 0.112 176.560 176.600 -0.253 0.000 1.023 505 K CA -0.214 55.846 56.287 -0.377 0.000 1.103 505 K CB 0.228 32.485 32.500 -0.405 0.000 0.848 505 K HN 0.242 nan 8.250 nan 0.000 0.528 506 R N 2.125 122.474 120.500 -0.251 0.000 2.570 506 R HA 0.052 4.379 4.340 -0.022 0.000 0.277 506 R C 0.529 176.762 176.300 -0.112 0.000 1.039 506 R CA -0.099 55.909 56.100 -0.153 0.000 1.065 506 R CB 0.266 30.500 30.300 -0.111 0.000 0.964 506 R HN 0.114 nan 8.270 nan 0.000 0.428 507 I N 0.855 121.367 120.570 -0.096 0.000 2.441 507 I HA 0.097 4.254 4.170 -0.022 0.000 0.287 507 I C 0.518 176.573 176.117 -0.102 0.000 1.049 507 I CA -0.220 61.023 61.300 -0.095 0.000 1.381 507 I CB 1.280 39.211 38.000 -0.116 0.000 1.409 507 I HN 0.511 nan 8.210 nan 0.000 0.523 508 K N 5.777 126.124 120.400 -0.087 0.000 2.167 508 K HA 0.130 4.437 4.320 -0.022 0.000 0.203 508 K C 0.499 176.996 176.600 -0.172 0.000 1.052 508 K CA 0.989 57.227 56.287 -0.082 0.000 0.956 508 K CB 0.046 32.536 32.500 -0.017 0.000 0.735 508 K HN 0.680 nan 8.250 nan 0.000 0.451 509 R N -0.371 119.953 120.500 -0.294 0.000 2.740 509 R HA 0.471 4.798 4.340 -0.022 0.000 0.273 509 R C -1.269 174.574 176.300 -0.762 0.000 0.998 509 R CA -0.657 55.110 56.100 -0.555 0.000 0.900 509 R CB 2.534 32.398 30.300 -0.728 0.000 1.223 509 R HN -0.264 nan 8.270 nan 0.000 0.466 510 V N 3.092 122.471 119.914 -0.893 0.000 2.443 510 V HA 0.475 4.582 4.120 -0.022 0.000 0.293 510 V C -1.259 174.177 176.094 -1.098 0.000 1.021 510 V CA -0.650 61.124 62.300 -0.877 0.000 0.848 510 V CB 1.234 32.654 31.823 -0.671 0.000 0.998 510 V HN 0.503 nan 8.190 nan 0.000 0.424 511 F N 4.584 124.151 119.950 -0.639 0.000 2.444 511 F HA 0.654 5.167 4.527 -0.022 0.000 0.342 511 F C -0.220 175.360 175.800 -0.367 0.000 1.121 511 F CA -1.060 56.643 58.000 -0.496 0.000 0.997 511 F CB 1.280 39.970 39.000 -0.517 0.000 1.130 511 F HN 0.278 nan 8.300 nan 0.000 0.454 512 F N 4.724 124.785 119.950 0.185 0.000 2.411 512 F HA 0.612 5.126 4.527 -0.022 0.000 0.350 512 F C 0.483 176.388 175.800 0.175 0.000 1.114 512 F CA -1.106 56.979 58.000 0.142 0.000 1.135 512 F CB 0.712 39.757 39.000 0.075 0.000 1.120 512 F HN 0.282 nan 8.300 nan 0.000 0.495 513 I N -1.249 119.537 120.570 0.361 0.000 3.239 513 I HA 0.575 4.732 4.170 -0.022 0.000 0.314 513 I C 0.415 176.635 176.117 0.172 0.000 1.126 513 I CA -0.969 60.476 61.300 0.242 0.000 0.973 513 I CB 1.912 40.048 38.000 0.226 0.000 1.252 513 I HN 0.210 nan 8.210 nan 0.000 0.463 514 E N 1.252 121.518 120.200 0.110 0.000 2.230 514 E HA 0.306 4.643 4.350 -0.022 0.000 0.192 514 E C 0.285 176.922 176.600 0.061 0.000 0.987 514 E CA 0.647 57.091 56.400 0.074 0.000 0.841 514 E CB 0.479 30.209 29.700 0.049 0.000 0.783 514 E HN 0.699 nan 8.360 nan 0.000 0.481 515 A N 0.438 123.292 122.820 0.056 0.000 2.594 515 A HA 0.483 4.790 4.320 -0.022 0.000 0.296 515 A C -1.202 176.395 177.584 0.022 0.000 1.061 515 A CA -0.708 51.352 52.037 0.038 0.000 0.689 515 A CB 1.003 20.016 19.000 0.021 0.000 1.280 515 A HN -0.023 nan 8.150 nan 0.000 0.406 516 I N 3.093 123.675 120.570 0.020 0.000 2.325 516 I HA 0.287 4.444 4.170 -0.022 0.000 0.291 516 I C -1.948 174.153 176.117 -0.026 0.000 1.019 516 I CA -2.011 59.286 61.300 -0.005 0.000 1.302 516 I CB 0.742 38.756 38.000 0.023 0.000 1.401 516 I HN 0.402 nan 8.210 nan 0.000 0.485 517 P HA 0.154 nan 4.420 nan 0.000 0.266 517 P C -0.736 176.543 177.300 -0.036 0.000 1.215 517 P CA 0.017 63.085 63.100 -0.053 0.000 0.763 517 P CB 0.760 32.409 31.700 -0.084 0.000 0.806 518 K N 1.765 122.153 120.400 -0.021 0.000 2.435 518 K HA 0.664 4.970 4.320 -0.022 0.000 0.251 518 K C -0.306 176.287 176.600 -0.010 0.000 0.954 518 K CA -1.019 55.260 56.287 -0.012 0.000 0.820 518 K CB 2.636 35.134 32.500 -0.003 0.000 1.292 518 K HN 0.420 nan 8.250 nan 0.000 0.436 519 A N 1.832 124.648 122.820 -0.007 0.000 2.366 519 A HA 0.250 4.557 4.320 -0.022 0.000 0.249 519 A C -1.765 175.818 177.584 -0.003 0.000 1.084 519 A CA -1.014 51.019 52.037 -0.006 0.000 0.794 519 A CB -0.285 18.713 19.000 -0.003 0.000 1.034 519 A HN 0.493 nan 8.150 nan 0.000 0.491 520 P HA -0.200 nan 4.420 nan 0.000 0.219 520 P C 1.520 178.820 177.300 0.000 0.000 1.144 520 P CA 2.051 65.150 63.100 -0.001 0.000 0.806 520 P CB 0.109 31.808 31.700 -0.001 0.000 0.771 521 S N -2.681 113.019 115.700 0.001 0.000 2.406 521 S HA 0.179 4.636 4.470 -0.022 0.000 0.224 521 S C 1.774 176.376 174.600 0.003 0.000 1.030 521 S CA 1.060 59.261 58.200 0.002 0.000 0.958 521 S CB -0.729 62.473 63.200 0.002 0.000 0.811 521 S HN 0.266 nan 8.310 nan 0.000 0.489 522 G N 0.793 109.595 108.800 0.003 0.000 2.318 522 G HA2 -0.142 3.805 3.960 -0.022 0.000 0.172 522 G HA3 -0.142 3.805 3.960 -0.022 0.000 0.172 522 G C -0.067 174.837 174.900 0.005 0.000 1.002 522 G CA -0.132 44.971 45.100 0.005 0.000 0.697 522 G HN 0.624 nan 8.290 nan 0.000 0.483 523 K N 1.280 121.683 120.400 0.004 0.000 2.401 523 K HA 0.422 4.729 4.320 -0.022 0.000 0.278 523 K C 0.575 177.177 176.600 0.003 0.000 1.018 523 K CA -0.453 55.837 56.287 0.005 0.000 0.981 523 K CB 0.183 32.686 32.500 0.005 0.000 0.933 523 K HN 0.239 nan 8.250 nan 0.000 0.477 524 I N 5.700 126.274 120.570 0.006 0.000 2.533 524 I HA -0.061 4.096 4.170 -0.022 0.000 0.284 524 I C 0.449 176.562 176.117 -0.006 0.000 1.109 524 I CA -0.041 61.260 61.300 0.001 0.000 1.412 524 I CB 0.434 38.442 38.000 0.013 0.000 1.396 524 I HN 0.458 nan 8.210 nan 0.000 0.543 525 L N 8.121 129.331 121.223 -0.021 0.000 2.382 525 L HA 0.180 4.507 4.340 -0.022 0.000 0.259 525 L C 1.551 178.399 176.870 -0.037 0.000 1.291 525 L CA -0.036 54.788 54.840 -0.027 0.000 1.176 525 L CB -0.625 41.412 42.059 -0.037 0.000 1.373 525 L HN 0.634 nan 8.230 nan 0.000 0.426 526 R N 0.787 121.279 120.500 -0.014 0.000 2.120 526 R HA -0.162 4.165 4.340 -0.022 0.000 0.234 526 R C 1.859 178.155 176.300 -0.008 0.000 1.123 526 R CA 1.254 57.352 56.100 -0.003 0.000 0.975 526 R CB -0.096 30.219 30.300 0.024 0.000 0.866 526 R HN 0.488 nan 8.270 nan 0.000 0.446 527 K N 0.442 120.837 120.400 -0.009 0.000 2.057 527 K HA -0.149 4.157 4.320 -0.022 0.000 0.207 527 K C 1.943 178.527 176.600 -0.027 0.000 1.049 527 K CA 1.264 57.546 56.287 -0.008 0.000 0.931 527 K CB -0.250 32.246 32.500 -0.006 0.000 0.714 527 K HN 0.159 nan 8.250 nan 0.000 0.440 528 N N 1.591 120.262 118.700 -0.048 0.000 2.120 528 N HA -0.144 4.583 4.740 -0.022 0.000 0.188 528 N C 1.770 177.208 175.510 -0.120 0.000 1.024 528 N CA 1.229 54.235 53.050 -0.075 0.000 0.852 528 N CB -0.048 38.389 38.487 -0.083 0.000 1.003 528 N HN 0.133 nan 8.380 nan 0.000 0.424 529 L N 0.961 122.088 121.223 -0.159 0.000 2.017 529 L HA -0.119 4.207 4.340 -0.022 0.000 0.208 529 L C 2.507 179.327 176.870 -0.083 0.000 1.073 529 L CA 1.207 55.877 54.840 -0.283 0.000 0.745 529 L CB -0.381 41.493 42.059 -0.308 0.000 0.894 529 L HN 0.112 nan 8.230 nan 0.000 0.432 530 K N 0.006 120.414 120.400 0.014 0.000 2.211 530 K HA -0.232 4.075 4.320 -0.022 0.000 0.204 530 K C 1.671 178.296 176.600 0.040 0.000 1.047 530 K CA 1.136 57.466 56.287 0.072 0.000 0.935 530 K CB -0.112 32.424 32.500 0.059 0.000 0.728 530 K HN 0.287 nan 8.250 nan 0.000 0.452 531 E N 1.122 121.321 120.200 -0.002 0.000 2.438 531 E HA -0.079 4.258 4.350 -0.022 0.000 0.192 531 E C -0.737 175.850 176.600 -0.021 0.000 1.110 531 E CA 0.055 56.448 56.400 -0.011 0.000 0.893 531 E CB 0.112 29.797 29.700 -0.025 0.000 0.990 531 E HN -0.010 nan 8.360 nan 0.000 0.490 532 K N 0.000 120.396 120.400 -0.006 0.000 2.780 532 K HA 0.000 4.307 4.320 -0.022 0.000 0.191 532 K CA 0.000 56.284 56.287 -0.005 0.000 0.838 532 K CB 0.000 32.486 32.500 -0.023 0.000 1.064 532 K HN 0.000 nan 8.250 nan 0.000 0.543