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 1miu_1_A DATA FIRST_RESID 2399 DATA SEQUENCE KDLMSSLQSA RDLQDMRIKN KERRHLRLQP GSLYLTKSST LPRISLQAAV DATA SEQUENCE GDRAPSACSP KQLYIYGVSK ECINVNSKNA EYFQFDIQDH FGKEDLCAGK DATA SEQUENCE GFQLADGGWL IPSNDGKAGK EEFYRALCDT PGVDPKLISS IWVANHYRWI DATA SEQUENCE VWKLAAMEFA FPKEFANRCL NPERVLLQLK YRYDVEIDNS RRSALKKILE DATA SEQUENCE RDDTAAKTLV LCISDIXXXX XXXXXXXXXX XXXXXXXXVD TIELTDGWYA DATA SEQUENCE VRAQLDPPLM ALVKSGKLTV GQKIITQGAE LVGSPDACAP LEAPDSLRLK DATA SEQUENCE ISANSTRPAR WHSRLGFFRD PRPFPLPLSS LFSDGGNVGC VDIIVQRVYP DATA SEQUENCE LQWVEKTVSG LYIFRSEREE EKEALRFAEA QQKKLEALFT KVHTEFKXXX DATA SEQUENCE XXXXXXXXXS RTLTRQQVHA LQDGAELYAA VQYASDPDHL EACFSEEQLR DATA SEQUENCE ALNNYRQMLN DKKQARIQSE FRKALESAEK EEGLSRDVTT VWKLRVTSYK DATA SEQUENCE KKEKSALLSI WRPSSDLSSL LTEGKRYRIY HLAVSKSKSK FERPSIQLTA DATA SEQUENCE TKRTQYQQLP VSSETLLQVY QPRESLHFSR LSDPAFQPPC SEVDVVGVVV DATA SEQUENCE SVVKPIGLAP LVYLSDECLN LLVVKFGIDL NEDIKPRVLI AASNLQCQPE DATA SEQUENCE STSGVPTLFA GHFSIFSASP KEAYFQEKVN NLKHAIENID TFYKEAEKKL DATA SEQUENCE IHVLE 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 2399 K HA 0.000 nan 4.320 nan 0.000 0.191 2399 K C 0.000 176.608 176.600 0.014 0.000 0.988 2399 K CA 0.000 56.304 56.287 0.029 0.000 0.838 2399 K CB 0.000 32.514 32.500 0.024 0.000 1.064 2400 D N -0.760 119.647 120.400 0.013 0.000 10.631 2400 D HA -0.103 4.537 4.640 0.000 0.000 0.324 2400 D C -0.442 175.856 176.300 -0.003 0.000 3.157 2400 D CA 0.105 54.105 54.000 0.001 0.000 2.757 2400 D CB -0.184 40.607 40.800 -0.015 0.000 1.248 2400 D HN -0.069 nan 8.370 nan 0.000 0.953 2401 L N 2.253 123.472 121.223 -0.006 0.000 2.737 2401 L HA 0.159 4.499 4.340 0.000 0.000 0.246 2401 L C 1.281 178.143 176.870 -0.013 0.000 1.153 2401 L CA 0.946 55.782 54.840 -0.007 0.000 0.920 2401 L CB -0.974 41.080 42.059 -0.007 0.000 1.090 2401 L HN 0.568 nan 8.230 nan 0.000 0.430 2402 M N -2.070 117.519 119.600 -0.017 0.000 2.763 2402 M HA -0.322 4.158 4.480 0.000 0.000 0.178 2402 M C 1.309 177.591 176.300 -0.031 0.000 0.620 2402 M CA 1.239 56.524 55.300 -0.024 0.000 0.594 2402 M CB -2.817 29.773 32.600 -0.017 0.000 2.167 2402 M HN 0.566 nan 8.290 nan 0.000 0.512 2403 S N -2.551 113.129 115.700 -0.033 0.000 2.539 2403 S HA 0.128 4.598 4.470 0.000 0.000 0.226 2403 S C 1.276 175.847 174.600 -0.049 0.000 1.054 2403 S CA 0.462 58.639 58.200 -0.037 0.000 0.910 2403 S CB 0.651 63.834 63.200 -0.029 0.000 0.818 2403 S HN 0.450 nan 8.310 nan 0.000 0.490 2404 S N 0.977 116.646 115.700 -0.051 0.000 2.603 2404 S HA 0.273 4.743 4.470 0.000 0.000 0.229 2404 S C 1.348 175.894 174.600 -0.090 0.000 0.972 2404 S CA 0.046 58.207 58.200 -0.065 0.000 0.935 2404 S CB -0.707 62.459 63.200 -0.055 0.000 0.769 2404 S HN 0.553 nan 8.310 nan 0.000 0.536 2405 L N 0.083 121.254 121.223 -0.086 0.000 2.221 2405 L HA 0.137 4.477 4.340 0.000 0.000 0.202 2405 L C 2.685 179.493 176.870 -0.103 0.000 1.074 2405 L CA 0.748 55.526 54.840 -0.105 0.000 0.795 2405 L CB -0.642 41.361 42.059 -0.094 0.000 0.960 2405 L HN 0.357 nan 8.230 nan 0.000 0.458 2406 Q N 0.646 120.397 119.800 -0.081 0.000 2.167 2406 Q HA -0.165 4.175 4.340 0.000 0.000 0.202 2406 Q C 2.345 178.290 176.000 -0.092 0.000 0.970 2406 Q CA 1.846 57.603 55.803 -0.077 0.000 0.855 2406 Q CB 0.130 28.833 28.738 -0.058 0.000 0.911 2406 Q HN 0.552 nan 8.270 nan 0.000 0.438 2407 S N 0.469 116.112 115.700 -0.094 0.000 2.359 2407 S HA -0.250 4.220 4.470 0.000 0.000 0.222 2407 S C 2.124 176.636 174.600 -0.148 0.000 1.038 2407 S CA 1.321 59.457 58.200 -0.107 0.000 1.051 2407 S CB -0.962 62.178 63.200 -0.100 0.000 0.944 2407 S HN 0.495 nan 8.310 nan 0.000 0.433 2408 A N 1.824 124.539 122.820 -0.176 0.000 2.024 2408 A HA -0.053 4.267 4.320 0.000 0.000 0.220 2408 A C 2.386 179.835 177.584 -0.224 0.000 1.164 2408 A CA 1.550 53.437 52.037 -0.249 0.000 0.643 2408 A CB -0.574 18.277 19.000 -0.248 0.000 0.806 2408 A HN 0.612 nan 8.150 nan 0.000 0.451 2409 R N -0.775 119.630 120.500 -0.157 0.000 2.080 2409 R HA -0.019 4.322 4.340 0.000 0.000 0.222 2409 R C 1.496 177.733 176.300 -0.106 0.000 1.107 2409 R CA 1.084 57.111 56.100 -0.122 0.000 0.980 2409 R CB -0.178 30.066 30.300 -0.092 0.000 0.879 2409 R HN 0.438 nan 8.270 nan 0.000 0.439 2410 D N 0.739 121.079 120.400 -0.101 0.000 2.144 2410 D HA -0.115 4.525 4.640 0.000 0.000 0.200 2410 D C 1.903 178.145 176.300 -0.098 0.000 0.978 2410 D CA 1.088 55.038 54.000 -0.084 0.000 0.833 2410 D CB 0.088 40.845 40.800 -0.072 0.000 0.961 2410 D HN 0.174 nan 8.370 nan 0.000 0.470 2411 L N 0.553 121.696 121.223 -0.134 0.000 2.093 2411 L HA -0.156 4.184 4.340 0.000 0.000 0.208 2411 L C 2.678 179.449 176.870 -0.164 0.000 1.085 2411 L CA 0.865 55.611 54.840 -0.156 0.000 0.755 2411 L CB -0.399 41.533 42.059 -0.212 0.000 0.904 2411 L HN -0.006 nan 8.230 nan 0.000 0.435 2412 Q N 0.393 120.083 119.800 -0.183 0.000 2.030 2412 Q HA -0.251 4.089 4.340 0.000 0.000 0.204 2412 Q C 1.746 177.693 176.000 -0.087 0.000 0.986 2412 Q CA 2.091 57.806 55.803 -0.147 0.000 0.843 2412 Q CB 0.011 28.673 28.738 -0.127 0.000 0.904 2412 Q HN 0.405 nan 8.270 nan 0.000 0.420 2413 D N 0.123 120.478 120.400 -0.074 0.000 2.182 2413 D HA -0.189 4.451 4.640 0.000 0.000 0.201 2413 D C 1.802 178.074 176.300 -0.046 0.000 0.986 2413 D CA 1.185 55.157 54.000 -0.046 0.000 0.847 2413 D CB -0.177 40.601 40.800 -0.037 0.000 0.942 2413 D HN 0.418 nan 8.370 nan 0.000 0.467 2414 M N 0.300 119.865 119.600 -0.059 0.000 2.123 2414 M HA -0.120 4.361 4.480 0.000 0.000 0.263 2414 M C 2.134 178.404 176.300 -0.049 0.000 1.069 2414 M CA 1.157 56.426 55.300 -0.052 0.000 1.133 2414 M CB 0.137 32.702 32.600 -0.059 0.000 1.356 2414 M HN -0.167 nan 8.290 nan 0.000 0.415 2415 R N 0.511 120.977 120.500 -0.056 0.000 2.094 2415 R HA -0.190 4.150 4.340 0.000 0.000 0.239 2415 R C 2.066 178.341 176.300 -0.041 0.000 1.137 2415 R CA 2.301 58.374 56.100 -0.044 0.000 0.943 2415 R CB -0.841 29.437 30.300 -0.036 0.000 0.850 2415 R HN 0.468 nan 8.270 nan 0.000 0.433 2416 I N 0.779 121.322 120.570 -0.044 0.000 2.118 2416 I HA -0.333 3.837 4.170 0.000 0.000 0.241 2416 I C 2.602 178.695 176.117 -0.040 0.000 1.070 2416 I CA 1.212 62.483 61.300 -0.049 0.000 1.327 2416 I CB -0.615 37.356 38.000 -0.048 0.000 1.034 2416 I HN 0.115 nan 8.210 nan 0.000 0.405 2417 K N 1.619 121.999 120.400 -0.032 0.000 2.013 2417 K HA -0.268 4.052 4.320 0.000 0.000 0.225 2417 K C 1.838 178.419 176.600 -0.032 0.000 1.056 2417 K CA 2.639 58.910 56.287 -0.027 0.000 0.971 2417 K CB -0.690 31.794 32.500 -0.026 0.000 0.731 2417 K HN 0.353 nan 8.250 nan 0.000 0.450 2418 N N 0.778 119.455 118.700 -0.037 0.000 2.025 2418 N HA -0.160 4.581 4.740 0.000 0.000 0.194 2418 N C 1.727 177.205 175.510 -0.054 0.000 1.044 2418 N CA 1.494 54.518 53.050 -0.042 0.000 0.851 2418 N CB -0.312 38.150 38.487 -0.040 0.000 1.036 2418 N HN 0.255 nan 8.380 nan 0.000 0.422 2419 K N 0.940 121.308 120.400 -0.053 0.000 2.030 2419 K HA -0.317 4.003 4.320 0.000 0.000 0.222 2419 K C 1.817 178.376 176.600 -0.069 0.000 1.056 2419 K CA 2.212 58.462 56.287 -0.062 0.000 0.957 2419 K CB -0.241 32.225 32.500 -0.057 0.000 0.727 2419 K HN 0.531 nan 8.250 nan 0.000 0.452 2420 E N 0.066 120.233 120.200 -0.054 0.000 2.338 2420 E HA -0.193 4.157 4.350 0.000 0.000 0.197 2420 E C 1.845 178.421 176.600 -0.039 0.000 1.007 2420 E CA 0.451 56.825 56.400 -0.043 0.000 0.849 2420 E CB -0.165 29.518 29.700 -0.028 0.000 0.774 2420 E HN 0.165 nan 8.360 nan 0.000 0.506 2421 R N 1.193 121.664 120.500 -0.048 0.000 2.357 2421 R HA 0.027 4.368 4.340 0.000 0.000 0.202 2421 R C 0.295 176.550 176.300 -0.076 0.000 1.047 2421 R CA 0.453 56.527 56.100 -0.043 0.000 1.034 2421 R CB -0.031 30.244 30.300 -0.042 0.000 0.875 2421 R HN 0.204 nan 8.270 nan 0.000 0.473 2422 R N -1.311 119.115 120.500 -0.124 0.000 3.288 2422 R HA 0.326 4.666 4.340 0.000 0.000 0.245 2422 R C -0.860 175.312 176.300 -0.212 0.000 1.436 2422 R CA -0.723 55.205 56.100 -0.286 0.000 1.036 2422 R CB 1.177 31.194 30.300 -0.472 0.000 1.500 2422 R HN 0.303 nan 8.270 nan 0.000 0.493 2423 H N -0.072 118.999 119.070 0.001 0.000 2.865 2423 H HA 0.616 5.172 4.556 0.000 0.000 0.362 2423 H C -1.148 174.183 175.328 0.005 0.000 1.114 2423 H CA -0.727 55.323 56.048 0.003 0.000 1.208 2423 H CB 1.634 31.396 29.762 0.001 0.000 1.727 2423 H HN 0.304 nan 8.280 nan 0.000 0.534 2424 L N 0.667 121.929 121.223 0.066 0.000 2.669 2424 L HA 0.474 4.814 4.340 0.000 0.000 0.255 2424 L C -0.453 176.454 176.870 0.061 0.000 1.123 2424 L CA -1.161 53.706 54.840 0.045 0.000 0.941 2424 L CB 1.643 43.697 42.059 -0.009 0.000 1.552 2424 L HN 0.368 nan 8.230 nan 0.000 0.394 2425 R N 0.521 121.049 120.500 0.047 0.000 2.357 2425 R HA 0.627 4.967 4.340 0.000 0.000 0.296 2425 R C -1.081 175.242 176.300 0.039 0.000 1.052 2425 R CA -0.408 55.717 56.100 0.041 0.000 0.988 2425 R CB 0.538 30.860 30.300 0.036 0.000 1.025 2425 R HN 0.365 nan 8.270 nan 0.000 0.469 2426 L N 2.828 124.070 121.223 0.033 0.000 2.483 2426 L HA 0.139 4.479 4.340 0.000 0.000 0.277 2426 L C 0.337 177.232 176.870 0.041 0.000 1.248 2426 L CA 0.959 55.819 54.840 0.033 0.000 0.825 2426 L CB 0.153 42.211 42.059 -0.002 0.000 1.096 2426 L HN 0.538 nan 8.230 nan 0.000 0.512 2427 Q N 0.461 120.293 119.800 0.053 0.000 3.990 2427 Q HA 0.253 4.593 4.340 0.000 0.000 0.175 2427 Q C -2.436 173.613 176.000 0.081 0.000 0.875 2427 Q CA -1.474 54.366 55.803 0.063 0.000 0.761 2427 Q CB 1.299 30.072 28.738 0.060 0.000 1.491 2427 Q HN 0.390 nan 8.270 nan 0.000 0.457 2428 P HA -0.123 nan 4.420 nan 0.000 0.266 2428 P C 0.423 177.824 177.300 0.170 0.000 1.180 2428 P CA 0.574 63.741 63.100 0.111 0.000 0.765 2428 P CB 0.600 32.428 31.700 0.213 0.000 0.806 2429 G N 0.588 109.523 108.800 0.225 0.000 2.535 2429 G HA2 0.219 4.179 3.960 0.000 0.000 0.282 2429 G HA3 0.219 4.179 3.960 0.000 0.000 0.282 2429 G C 1.258 176.270 174.900 0.187 0.000 1.350 2429 G CA 0.198 45.417 45.100 0.199 0.000 1.039 2429 G HN 0.491 nan 8.290 nan 0.000 0.509 2430 S N -0.896 114.881 115.700 0.128 0.000 2.444 2430 S HA -0.191 4.279 4.470 0.000 0.000 0.225 2430 S C 2.520 177.165 174.600 0.076 0.000 1.042 2430 S CA 2.071 60.321 58.200 0.082 0.000 1.132 2430 S CB -0.800 62.429 63.200 0.047 0.000 1.099 2430 S HN 0.482 nan 8.310 nan 0.000 0.417 2431 L N -0.444 120.806 121.223 0.045 0.000 2.187 2431 L HA -0.077 4.264 4.340 0.000 0.000 0.213 2431 L C 2.537 179.385 176.870 -0.037 0.000 1.100 2431 L CA 1.934 56.736 54.840 -0.063 0.000 0.765 2431 L CB -0.999 40.922 42.059 -0.229 0.000 0.904 2431 L HN 0.437 nan 8.230 nan 0.000 0.437 2432 Y N 0.842 121.218 120.300 0.126 0.000 2.263 2432 Y HA -0.082 4.468 4.550 0.000 0.000 0.292 2432 Y C 2.327 178.302 175.900 0.125 0.000 1.130 2432 Y CA 1.228 59.472 58.100 0.240 0.000 1.179 2432 Y CB 0.090 38.739 38.460 0.315 0.000 0.998 2432 Y HN 0.011 nan 8.280 nan 0.000 0.532 2433 L N -0.952 120.368 121.223 0.161 0.000 2.395 2433 L HA -0.117 4.223 4.340 0.000 0.000 0.218 2433 L C 1.922 178.787 176.870 -0.009 0.000 1.130 2433 L CA 1.003 55.897 54.840 0.089 0.000 0.826 2433 L CB -0.433 41.700 42.059 0.124 0.000 0.941 2433 L HN 0.255 nan 8.230 nan 0.000 0.451 2434 T N -0.349 114.182 114.554 -0.038 0.000 2.673 2434 T HA -0.122 4.228 4.350 0.000 0.000 0.248 2434 T C 1.749 176.391 174.700 -0.096 0.000 1.080 2434 T CA 0.835 62.902 62.100 -0.056 0.000 1.203 2434 T CB -0.083 68.748 68.868 -0.061 0.000 0.893 2434 T HN 0.197 nan 8.240 nan 0.000 0.404 2435 K N 1.660 121.973 120.400 -0.145 0.000 2.144 2435 K HA -0.136 4.184 4.320 0.000 0.000 0.209 2435 K C 2.507 179.006 176.600 -0.168 0.000 1.047 2435 K CA 1.476 57.669 56.287 -0.158 0.000 0.927 2435 K CB -0.448 31.929 32.500 -0.205 0.000 0.716 2435 K HN 0.193 nan 8.250 nan 0.000 0.454 2436 S N 0.745 116.296 115.700 -0.249 0.000 2.488 2436 S HA -0.119 4.351 4.470 0.000 0.000 0.246 2436 S C 1.102 175.646 174.600 -0.094 0.000 0.992 2436 S CA 1.173 59.236 58.200 -0.230 0.000 0.963 2436 S CB -0.171 62.879 63.200 -0.251 0.000 0.754 2436 S HN 0.460 nan 8.310 nan 0.000 0.519 2437 S N -0.656 115.003 115.700 -0.069 0.000 2.589 2437 S HA 0.421 4.891 4.470 0.000 0.000 0.272 2437 S C 1.295 175.877 174.600 -0.031 0.000 1.096 2437 S CA 0.124 58.303 58.200 -0.035 0.000 0.985 2437 S CB 0.142 63.329 63.200 -0.022 0.000 1.278 2437 S HN 0.305 nan 8.310 nan 0.000 0.528 2438 T N 0.977 115.519 114.554 -0.019 0.000 2.739 2438 T HA 0.217 4.567 4.350 0.000 0.000 0.249 2438 T C 1.138 175.829 174.700 -0.016 0.000 1.050 2438 T CA 0.189 62.281 62.100 -0.015 0.000 1.165 2438 T CB -1.074 67.789 68.868 -0.008 0.000 0.872 2438 T HN 0.553 nan 8.240 nan 0.000 0.411 2439 L N 3.242 124.457 121.223 -0.013 0.000 5.090 2439 L HA -0.095 4.245 4.340 0.000 0.000 0.471 2439 L C -2.068 174.795 176.870 -0.012 0.000 1.241 2439 L CA -0.811 54.022 54.840 -0.012 0.000 0.601 2439 L CB -1.042 41.008 42.059 -0.015 0.000 1.240 2439 L HN 0.191 nan 8.230 nan 0.000 0.641 2440 P HA -0.178 nan 4.420 nan 0.000 0.258 2440 P C -0.063 177.235 177.300 -0.002 0.000 1.102 2440 P CA 0.771 63.869 63.100 -0.003 0.000 0.757 2440 P CB 0.290 31.991 31.700 0.001 0.000 0.681 2441 R N 2.870 123.370 120.500 -0.000 0.000 2.611 2441 R HA 0.573 4.913 4.340 0.000 0.000 0.243 2441 R C 0.530 176.842 176.300 0.019 0.000 1.260 2441 R CA -0.470 55.632 56.100 0.003 0.000 1.095 2441 R CB 0.227 30.528 30.300 0.002 0.000 1.259 2441 R HN 0.426 nan 8.270 nan 0.000 0.575 2442 I N 0.709 121.298 120.570 0.031 0.000 2.605 2442 I HA -0.012 4.159 4.170 0.000 0.000 0.276 2442 I C -0.297 175.865 176.117 0.074 0.000 1.161 2442 I CA -0.440 60.890 61.300 0.050 0.000 1.064 2442 I CB 1.532 39.566 38.000 0.057 0.000 1.238 2442 I HN 0.587 nan 8.210 nan 0.000 0.487 2443 S N 4.600 120.343 115.700 0.072 0.000 3.545 2443 S HA -0.130 4.341 4.470 0.000 0.000 0.421 2443 S C 1.200 175.882 174.600 0.136 0.000 1.160 2443 S CA -0.371 57.884 58.200 0.091 0.000 1.002 2443 S CB 0.414 63.665 63.200 0.086 0.000 0.703 2443 S HN 0.655 nan 8.310 nan 0.000 0.505 2444 L N 1.904 123.216 121.223 0.147 0.000 2.369 2444 L HA -0.171 4.169 4.340 0.000 0.000 0.220 2444 L C 2.275 179.379 176.870 0.391 0.000 1.119 2444 L CA 2.143 57.129 54.840 0.243 0.000 0.780 2444 L CB -0.825 41.330 42.059 0.160 0.000 0.906 2444 L HN 0.933 nan 8.230 nan 0.000 0.442 2445 Q N -0.644 119.307 119.800 0.251 0.000 1.879 2445 Q HA 0.022 4.363 4.340 0.000 0.000 0.214 2445 Q C 2.266 178.388 176.000 0.204 0.000 0.973 2445 Q CA 1.933 57.908 55.803 0.286 0.000 0.856 2445 Q CB -0.804 27.970 28.738 0.059 0.000 0.907 2445 Q HN 0.426 nan 8.270 nan 0.000 0.436 2446 A N 0.733 123.621 122.820 0.114 0.000 1.997 2446 A HA -0.330 3.990 4.320 0.000 0.000 0.226 2446 A C 2.068 179.686 177.584 0.056 0.000 1.327 2446 A CA 2.638 54.714 52.037 0.065 0.000 0.693 2446 A CB -1.693 17.340 19.000 0.055 0.000 0.832 2446 A HN 0.650 nan 8.150 nan 0.000 0.497 2447 A N -1.422 121.463 122.820 0.109 0.000 2.276 2447 A HA 0.322 4.643 4.320 0.000 0.000 0.205 2447 A C 0.882 178.481 177.584 0.025 0.000 1.234 2447 A CA 1.331 53.422 52.037 0.090 0.000 0.797 2447 A CB -0.554 18.562 19.000 0.192 0.000 0.769 2447 A HN 0.989 nan 8.150 nan 0.000 0.491 2448 V N -3.165 116.741 119.914 -0.014 0.000 3.503 2448 V HA 0.350 4.470 4.120 0.000 0.000 0.426 2448 V C 1.387 177.347 176.094 -0.223 0.000 1.555 2448 V CA -0.038 62.145 62.300 -0.195 0.000 1.586 2448 V CB -0.680 30.927 31.823 -0.359 0.000 1.152 2448 V HN 0.909 nan 8.190 nan 0.000 0.571 2449 G N 0.985 109.710 108.800 -0.126 0.000 2.300 2449 G HA2 -0.318 3.643 3.960 0.000 0.000 0.267 2449 G HA3 -0.318 3.643 3.960 0.000 0.000 0.267 2449 G C 0.058 174.895 174.900 -0.104 0.000 0.980 2449 G CA 0.863 45.896 45.100 -0.113 0.000 0.635 2449 G HN 0.812 nan 8.290 nan 0.000 0.552 2450 D N -1.983 118.344 120.400 -0.121 0.000 4.147 2450 D HA -0.091 4.549 4.640 0.000 0.000 0.239 2450 D C 0.414 176.610 176.300 -0.173 0.000 1.075 2450 D CA 1.247 55.196 54.000 -0.085 0.000 1.089 2450 D CB -1.081 39.704 40.800 -0.026 0.000 0.799 2450 D HN 0.831 nan 8.370 nan 0.000 0.371 2451 R N 0.401 120.696 120.500 -0.340 0.000 2.496 2451 R HA 0.371 4.712 4.340 0.000 0.000 0.090 2451 R C 0.250 176.214 176.300 -0.559 0.000 0.510 2451 R CA 0.754 56.633 56.100 -0.367 0.000 0.732 2451 R CB -0.220 29.911 30.300 -0.281 0.000 1.004 2451 R HN 0.980 nan 8.270 nan 0.000 0.562 2452 A N 0.741 122.967 122.820 -0.990 0.000 6.500 2452 A HA -0.204 4.116 4.320 0.000 0.000 0.250 2452 A C -2.227 174.955 177.584 -0.670 0.000 2.143 2452 A CA 0.224 51.709 52.037 -0.919 0.000 0.705 2452 A CB -1.782 16.922 19.000 -0.494 0.000 1.015 2452 A HN 0.235 nan 8.150 nan 0.000 0.374 2453 P HA 0.060 nan 4.420 nan 0.000 0.273 2453 P C 0.491 177.648 177.300 -0.238 0.000 1.193 2453 P CA 1.320 64.335 63.100 -0.142 0.000 0.777 2453 P CB 0.144 31.857 31.700 0.022 0.000 0.803 2454 S N -0.628 114.973 115.700 -0.165 0.000 3.093 2454 S HA 0.564 5.035 4.470 0.000 0.000 0.251 2454 S C -0.521 174.026 174.600 -0.087 0.000 0.905 2454 S CA 0.070 58.173 58.200 -0.161 0.000 1.124 2454 S CB 0.411 63.470 63.200 -0.236 0.000 1.124 2454 S HN 0.720 nan 8.310 nan 0.000 0.574 2455 A N 0.587 123.380 122.820 -0.045 0.000 2.582 2455 A HA 0.729 5.050 4.320 0.000 0.000 0.297 2455 A C -0.142 177.480 177.584 0.062 0.000 1.059 2455 A CA -0.633 51.386 52.037 -0.030 0.000 0.705 2455 A CB 0.089 19.026 19.000 -0.105 0.000 1.279 2455 A HN 0.612 nan 8.150 nan 0.000 0.404 2456 C N -0.303 119.059 119.300 0.103 0.000 4.212 2456 C HA 1.002 5.462 4.460 0.000 0.000 0.235 2456 C C 2.034 177.194 174.990 0.283 0.000 3.607 2456 C CA 0.768 59.913 59.018 0.212 0.000 1.820 2456 C CB 0.312 28.121 27.740 0.115 0.000 4.340 2456 C HN 2.631 nan 8.230 nan 0.000 0.498 2457 S N 1.586 117.403 115.700 0.195 0.000 3.827 2457 S HA -0.114 4.356 4.470 0.000 0.000 0.538 2457 S C 0.099 174.866 174.600 0.280 0.000 0.916 2457 S CA 2.953 61.257 58.200 0.173 0.000 3.392 2457 S CB -2.684 60.574 63.200 0.096 0.000 2.356 2457 S HN 1.644 nan 8.310 nan 0.000 0.507 2458 P HA 0.625 nan 4.420 nan 0.000 0.227 2458 P C 0.013 177.463 177.300 0.250 0.000 1.801 2458 P CA 1.881 65.155 63.100 0.290 0.000 0.971 2458 P CB -1.511 30.284 31.700 0.159 0.000 1.653 2459 K N -2.305 118.253 120.400 0.262 0.000 7.076 2459 K HA 0.041 4.362 4.320 0.000 0.000 0.574 2459 K C 1.295 177.871 176.600 -0.039 0.000 2.583 2459 K CA 1.419 57.740 56.287 0.056 0.000 2.032 2459 K CB -2.613 29.977 32.500 0.150 0.000 2.232 2459 K HN 1.052 nan 8.250 nan 0.000 0.189 2460 Q N -1.347 118.423 119.800 -0.050 0.000 2.389 2460 Q HA 0.478 4.818 4.340 0.000 0.000 0.213 2460 Q C 2.045 177.963 176.000 -0.136 0.000 0.989 2460 Q CA 4.184 59.947 55.803 -0.066 0.000 0.891 2460 Q CB -1.338 27.376 28.738 -0.039 0.000 0.923 2460 Q HN 2.828 nan 8.270 nan 0.000 0.455 2461 L N -3.958 117.151 121.223 -0.190 0.000 3.366 2461 L HA 0.448 4.788 4.340 0.000 0.000 0.208 2461 L C -0.847 175.886 176.870 -0.228 0.000 1.006 2461 L CA -0.490 54.124 54.840 -0.376 0.000 1.077 2461 L CB -0.201 41.690 42.059 -0.281 0.000 1.419 2461 L HN 0.456 nan 8.230 nan 0.000 0.404 2462 Y N 1.661 121.926 120.300 -0.058 0.000 2.897 2462 Y HA 0.611 5.161 4.550 0.000 0.000 0.372 2462 Y C 1.399 177.254 175.900 -0.076 0.000 1.034 2462 Y CA -0.598 57.476 58.100 -0.044 0.000 1.627 2462 Y CB -0.814 37.636 38.460 -0.017 0.000 1.474 2462 Y HN 0.597 nan 8.280 nan 0.000 0.517 2463 I N -0.865 119.646 120.570 -0.098 0.000 2.060 2463 I HA -0.305 3.865 4.170 0.000 0.000 0.233 2463 I C 1.833 177.848 176.117 -0.169 0.000 1.054 2463 I CA 1.738 62.891 61.300 -0.245 0.000 1.318 2463 I CB -0.764 36.893 38.000 -0.572 0.000 1.054 2463 I HN 0.155 nan 8.210 nan 0.000 0.395 2464 Y N 1.135 121.444 120.300 0.014 0.000 2.030 2464 Y HA 0.050 4.600 4.550 0.000 0.000 0.274 2464 Y C 1.398 177.317 175.900 0.031 0.000 1.153 2464 Y CA 0.945 59.053 58.100 0.014 0.000 1.115 2464 Y CB -1.192 37.270 38.460 0.002 0.000 0.969 2464 Y HN 0.257 nan 8.280 nan 0.000 0.488 2465 G N -1.165 107.769 108.800 0.223 0.000 1.843 2465 G HA2 0.437 4.398 3.960 0.000 0.000 0.278 2465 G HA3 0.437 4.398 3.960 0.000 0.000 0.278 2465 G C -0.825 174.136 174.900 0.102 0.000 1.708 2465 G CA -0.328 44.855 45.100 0.138 0.000 0.918 2465 G HN 0.382 nan 8.290 nan 0.000 0.661 2466 V N -0.439 119.505 119.914 0.051 0.000 6.154 2466 V HA 1.030 5.151 4.120 0.000 0.000 0.274 2466 V C 0.573 176.634 176.094 -0.055 0.000 1.592 2466 V CA 0.022 62.300 62.300 -0.036 0.000 0.638 2466 V CB 1.125 32.821 31.823 -0.211 0.000 1.458 2466 V HN 2.023 nan 8.190 nan 0.000 0.391 2467 S N -1.684 113.939 115.700 -0.129 0.000 2.688 2467 S HA 0.608 5.078 4.470 0.000 0.000 0.269 2467 S C -0.977 173.551 174.600 -0.119 0.000 1.060 2467 S CA 0.060 58.206 58.200 -0.091 0.000 0.844 2467 S CB 0.779 63.973 63.200 -0.010 0.000 1.095 2467 S HN 1.705 nan 8.310 nan 0.000 0.466 2468 K N 0.276 120.620 120.400 -0.094 0.000 2.328 2468 K HA 0.852 5.172 4.320 0.000 0.000 0.246 2468 K C 0.701 177.243 176.600 -0.097 0.000 0.955 2468 K CA 0.861 57.093 56.287 -0.093 0.000 0.817 2468 K CB 0.107 32.560 32.500 -0.077 0.000 1.208 2468 K HN 2.269 nan 8.250 nan 0.000 0.432 2469 E N -1.669 118.461 120.200 -0.116 0.000 3.547 2469 E HA -0.249 4.101 4.350 0.000 0.000 0.300 2469 E C 1.585 177.992 176.600 -0.322 0.000 0.857 2469 E CA 2.866 59.163 56.400 -0.171 0.000 1.039 2469 E CB -2.803 26.822 29.700 -0.125 0.000 1.524 2469 E HN 2.087 nan 8.360 nan 0.000 0.457 2470 C N -2.173 116.984 119.300 -0.239 0.000 2.683 2470 C HA 0.642 5.102 4.460 0.000 0.000 0.491 2470 C C 2.229 177.144 174.990 -0.125 0.000 1.342 2470 C CA 0.996 59.864 59.018 -0.251 0.000 2.476 2470 C CB -0.222 27.489 27.740 -0.047 0.000 3.150 2470 C HN 0.687 nan 8.230 nan 0.000 0.551 2471 I N 2.406 122.934 120.570 -0.071 0.000 2.716 2471 I HA 0.126 4.296 4.170 0.000 0.000 0.259 2471 I C 1.502 177.573 176.117 -0.077 0.000 1.172 2471 I CA 0.912 62.195 61.300 -0.028 0.000 1.478 2471 I CB -0.409 37.616 38.000 0.042 0.000 1.104 2471 I HN 0.355 nan 8.210 nan 0.000 0.439 2472 N N 0.706 119.349 118.700 -0.096 0.000 2.509 2472 N HA 0.064 4.804 4.740 0.000 0.000 0.239 2472 N C -0.631 174.819 175.510 -0.099 0.000 1.215 2472 N CA 0.130 53.125 53.050 -0.092 0.000 0.882 2472 N CB -0.013 38.422 38.487 -0.086 0.000 1.189 2472 N HN -0.001 nan 8.380 nan 0.000 0.490 2473 V N 0.366 120.225 119.914 -0.091 0.000 2.960 2473 V HA 0.563 4.683 4.120 0.000 0.000 0.315 2473 V C -1.077 175.029 176.094 0.019 0.000 1.087 2473 V CA -0.852 61.402 62.300 -0.077 0.000 0.982 2473 V CB 2.042 33.779 31.823 -0.143 0.000 1.039 2473 V HN 0.294 nan 8.190 nan 0.000 0.437 2474 N N 1.881 120.603 118.700 0.037 0.000 2.405 2474 N HA 0.254 4.994 4.740 0.000 0.000 0.285 2474 N C 0.050 175.558 175.510 -0.004 0.000 1.262 2474 N CA -0.561 52.544 53.050 0.092 0.000 0.773 2474 N CB 1.740 40.239 38.487 0.020 0.000 1.490 2474 N HN 0.479 nan 8.380 nan 0.000 0.486 2475 S N -0.484 115.092 115.700 -0.206 0.000 2.805 2475 S HA -0.038 4.432 4.470 0.000 0.000 0.230 2475 S C 0.882 175.132 174.600 -0.584 0.000 0.968 2475 S CA 0.931 58.560 58.200 -0.951 0.000 0.976 2475 S CB -0.374 61.852 63.200 -1.623 0.000 0.787 2475 S HN 0.510 nan 8.310 nan 0.000 0.533 2476 K N 0.292 120.510 120.400 -0.303 0.000 2.517 2476 K HA 0.178 4.498 4.320 0.000 0.000 0.210 2476 K C 0.560 177.103 176.600 -0.096 0.000 1.166 2476 K CA 0.231 56.389 56.287 -0.216 0.000 1.030 2476 K CB 0.174 32.594 32.500 -0.134 0.000 0.974 2476 K HN 0.415 nan 8.250 nan 0.000 0.585 2477 N N -0.604 118.054 118.700 -0.070 0.000 2.113 2477 N HA 0.050 4.790 4.740 0.000 0.000 0.223 2477 N C 1.154 176.704 175.510 0.066 0.000 1.310 2477 N CA 0.306 53.403 53.050 0.078 0.000 0.896 2477 N CB 0.566 39.074 38.487 0.036 0.000 1.097 2477 N HN 0.047 nan 8.380 nan 0.000 0.507 2478 A N 1.442 124.212 122.820 -0.084 0.000 2.121 2478 A HA -0.112 4.208 4.320 0.000 0.000 0.218 2478 A C 1.816 179.257 177.584 -0.239 0.000 1.154 2478 A CA 0.905 52.877 52.037 -0.109 0.000 0.679 2478 A CB -0.584 18.343 19.000 -0.121 0.000 0.795 2478 A HN 0.391 nan 8.150 nan 0.000 0.458 2479 E N -1.779 118.227 120.200 -0.322 0.000 2.515 2479 E HA -0.134 4.216 4.350 0.000 0.000 0.201 2479 E C 0.285 176.539 176.600 -0.575 0.000 1.071 2479 E CA 0.715 56.824 56.400 -0.485 0.000 0.880 2479 E CB 0.001 29.304 29.700 -0.662 0.000 0.828 2479 E HN 0.823 nan 8.360 nan 0.000 0.540 2480 Y N -2.557 117.817 120.300 0.124 0.000 2.476 2480 Y HA 0.071 4.621 4.550 0.000 0.000 0.274 2480 Y C 1.130 177.250 175.900 0.366 0.000 1.120 2480 Y CA -0.379 57.860 58.100 0.232 0.000 1.214 2480 Y CB -0.161 38.367 38.460 0.112 0.000 1.285 2480 Y HN -0.036 nan 8.280 nan 0.000 0.520 2481 F N 1.874 121.954 119.950 0.216 0.000 2.629 2481 F HA -0.503 4.024 4.527 0.000 0.000 0.266 2481 F C 0.327 176.306 175.800 0.297 0.000 1.253 2481 F CA 2.589 60.709 58.000 0.201 0.000 1.589 2481 F CB -0.650 38.440 39.000 0.150 0.000 0.739 2481 F HN 0.304 nan 8.300 nan 0.000 0.506 2482 Q N -1.856 118.521 119.800 0.962 0.000 2.089 2482 Q HA -0.138 4.202 4.340 0.000 0.000 0.272 2482 Q C -1.235 175.207 176.000 0.736 0.000 0.858 2482 Q CA 0.590 56.817 55.803 0.707 0.000 0.508 2482 Q CB -2.044 26.969 28.738 0.458 0.000 0.607 2482 Q HN 0.365 nan 8.270 nan 0.000 0.320 2483 F N 2.930 123.078 119.950 0.330 0.000 2.438 2483 F HA 0.119 4.646 4.527 0.000 0.000 0.360 2483 F C 1.151 177.115 175.800 0.274 0.000 1.118 2483 F CA -0.674 57.484 58.000 0.264 0.000 1.164 2483 F CB 0.576 39.709 39.000 0.221 0.000 1.131 2483 F HN 0.206 nan 8.300 nan 0.000 0.527 2484 D N 6.262 126.880 120.400 0.362 0.000 2.540 2484 D HA -0.021 4.619 4.640 0.000 0.000 0.237 2484 D C 1.899 178.376 176.300 0.296 0.000 1.181 2484 D CA 0.317 54.477 54.000 0.267 0.000 1.119 2484 D CB -0.116 40.791 40.800 0.179 0.000 1.119 2484 D HN 0.531 nan 8.370 nan 0.000 0.498 2485 I N -0.013 120.759 120.570 0.336 0.000 2.271 2485 I HA -0.432 3.738 4.170 0.000 0.000 0.252 2485 I C 2.002 178.309 176.117 0.316 0.000 1.043 2485 I CA 1.760 63.292 61.300 0.388 0.000 1.337 2485 I CB -0.792 37.439 38.000 0.386 0.000 1.024 2485 I HN 0.220 nan 8.210 nan 0.000 0.437 2486 Q N 0.251 120.193 119.800 0.238 0.000 2.124 2486 Q HA -0.214 4.126 4.340 0.000 0.000 0.202 2486 Q C 1.537 177.616 176.000 0.132 0.000 0.977 2486 Q CA 1.818 57.725 55.803 0.173 0.000 0.850 2486 Q CB -0.085 28.732 28.738 0.130 0.000 0.901 2486 Q HN 0.677 nan 8.270 nan 0.000 0.429 2487 D N -1.320 119.146 120.400 0.111 0.000 2.340 2487 D HA -0.045 4.595 4.640 0.000 0.000 0.220 2487 D C 0.927 177.173 176.300 -0.091 0.000 1.039 2487 D CA 0.440 54.437 54.000 -0.005 0.000 0.866 2487 D CB 0.364 41.117 40.800 -0.077 0.000 0.913 2487 D HN 0.346 nan 8.370 nan 0.000 0.523 2488 H N -1.614 117.557 119.070 0.169 0.000 2.885 2488 H HA 0.123 4.679 4.556 0.000 0.000 0.260 2488 H C 0.833 176.167 175.328 0.010 0.000 0.985 2488 H CA 0.188 56.316 56.048 0.133 0.000 1.210 2488 H CB 0.611 30.524 29.762 0.251 0.000 1.466 2488 H HN 0.096 nan 8.280 nan 0.000 0.493 2489 F N -0.312 119.598 119.950 -0.067 0.000 2.724 2489 F HA 0.303 4.830 4.527 0.000 0.000 0.306 2489 F C 1.812 177.548 175.800 -0.107 0.000 1.100 2489 F CA 0.657 58.542 58.000 -0.192 0.000 1.255 2489 F CB 0.834 39.498 39.000 -0.559 0.000 1.072 2489 F HN 0.262 nan 8.300 nan 0.000 0.589 2490 G N 1.071 109.938 108.800 0.112 0.000 2.650 2490 G HA2 -0.366 3.595 3.960 0.000 0.000 0.264 2490 G HA3 -0.366 3.595 3.960 0.000 0.000 0.264 2490 G C 0.859 175.810 174.900 0.085 0.000 1.263 2490 G CA 0.449 45.591 45.100 0.070 0.000 0.960 2490 G HN 0.271 nan 8.290 nan 0.000 0.548 2491 K N 0.682 121.129 120.400 0.078 0.000 2.608 2491 K HA 0.228 4.548 4.320 0.000 0.000 0.214 2491 K C 1.939 178.589 176.600 0.084 0.000 1.469 2491 K CA 1.149 57.486 56.287 0.084 0.000 1.012 2491 K CB 0.270 32.808 32.500 0.064 0.000 1.211 2491 K HN 0.623 nan 8.250 nan 0.000 0.627 2492 E N 0.142 120.389 120.200 0.077 0.000 2.112 2492 E HA -0.114 4.236 4.350 0.000 0.000 0.190 2492 E C 0.528 177.188 176.600 0.101 0.000 0.979 2492 E CA 0.996 57.440 56.400 0.073 0.000 0.814 2492 E CB 0.065 29.796 29.700 0.052 0.000 0.762 2492 E HN 0.172 nan 8.360 nan 0.000 0.460 2493 D N 0.550 121.027 120.400 0.129 0.000 2.354 2493 D HA 0.094 4.735 4.640 0.000 0.000 0.209 2493 D C 1.746 178.183 176.300 0.229 0.000 1.015 2493 D CA 0.121 54.230 54.000 0.181 0.000 0.867 2493 D CB 0.452 41.406 40.800 0.256 0.000 0.933 2493 D HN 0.188 nan 8.370 nan 0.000 0.520 2494 L N 0.527 121.870 121.223 0.201 0.000 2.599 2494 L HA -0.003 4.337 4.340 0.000 0.000 0.230 2494 L C 2.124 179.097 176.870 0.172 0.000 1.141 2494 L CA 0.030 55.018 54.840 0.248 0.000 0.877 2494 L CB 0.112 42.286 42.059 0.191 0.000 1.009 2494 L HN 0.103 nan 8.230 nan 0.000 0.447 2495 C N 0.425 119.808 119.300 0.140 0.000 2.472 2495 C HA 0.192 4.652 4.460 0.000 0.000 0.278 2495 C C 1.600 176.652 174.990 0.104 0.000 1.447 2495 C CA 0.009 59.088 59.018 0.101 0.000 1.773 2495 C CB -1.000 26.791 27.740 0.085 0.000 1.793 2495 C HN 0.423 nan 8.230 nan 0.000 0.544 2496 A N 0.118 123.026 122.820 0.146 0.000 2.316 2496 A HA 0.544 4.864 4.320 0.000 0.000 0.311 2496 A C 1.087 178.724 177.584 0.088 0.000 1.339 2496 A CA 0.368 52.489 52.037 0.141 0.000 0.960 2496 A CB 0.151 19.280 19.000 0.216 0.000 1.152 2496 A HN 0.627 nan 8.150 nan 0.000 0.547 2497 G N 1.270 110.088 108.800 0.031 0.000 3.284 2497 G HA2 0.078 4.038 3.960 0.000 0.000 0.236 2497 G HA3 0.078 4.038 3.960 0.000 0.000 0.236 2497 G C 0.884 175.739 174.900 -0.075 0.000 1.158 2497 G CA -0.031 45.050 45.100 -0.031 0.000 0.774 2497 G HN 0.490 nan 8.290 nan 0.000 0.545 2498 K N 1.123 121.495 120.400 -0.046 0.000 2.437 2498 K HA 0.302 4.622 4.320 0.000 0.000 0.205 2498 K C 0.957 177.503 176.600 -0.089 0.000 1.026 2498 K CA 0.397 56.618 56.287 -0.109 0.000 1.153 2498 K CB -0.018 32.427 32.500 -0.092 0.000 0.863 2498 K HN 0.416 nan 8.250 nan 0.000 0.502 2499 G N 1.147 109.885 108.800 -0.104 0.000 2.712 2499 G HA2 -0.238 3.722 3.960 0.000 0.000 0.686 2499 G HA3 -0.238 3.722 3.960 0.000 0.000 0.686 2499 G C -0.806 174.131 174.900 0.061 0.000 1.321 2499 G CA -0.911 44.081 45.100 -0.180 0.000 0.813 2499 G HN 0.080 nan 8.290 nan 0.000 0.599 2500 F N 1.321 121.276 119.950 0.008 0.000 2.421 2500 F HA 0.460 4.987 4.527 0.000 0.000 0.358 2500 F C 1.044 176.731 175.800 -0.188 0.000 1.115 2500 F CA -0.903 57.006 58.000 -0.151 0.000 1.160 2500 F CB 1.253 39.888 39.000 -0.608 0.000 1.123 2500 F HN 0.465 nan 8.300 nan 0.000 0.508 2501 Q N 3.256 122.881 119.800 -0.293 0.000 2.352 2501 Q HA 0.397 4.737 4.340 0.000 0.000 0.260 2501 Q C -0.812 175.009 176.000 -0.298 0.000 0.976 2501 Q CA -0.054 55.242 55.803 -0.845 0.000 0.881 2501 Q CB 1.623 29.734 28.738 -1.045 0.000 1.235 2501 Q HN 0.780 nan 8.270 nan 0.000 0.419 2502 L N 0.916 121.967 121.223 -0.288 0.000 2.350 2502 L HA 0.566 4.906 4.340 0.000 0.000 0.260 2502 L C -0.696 176.127 176.870 -0.079 0.000 1.015 2502 L CA -0.818 53.971 54.840 -0.085 0.000 0.821 2502 L CB 1.863 43.928 42.059 0.010 0.000 1.370 2502 L HN 0.727 nan 8.230 nan 0.000 0.416 2503 A N 1.538 124.342 122.820 -0.026 0.000 2.583 2503 A HA 0.136 4.456 4.320 0.000 0.000 0.249 2503 A C 0.367 177.946 177.584 -0.008 0.000 1.035 2503 A CA 1.171 53.197 52.037 -0.018 0.000 0.777 2503 A CB -0.235 18.763 19.000 -0.004 0.000 0.942 2503 A HN 0.930 nan 8.150 nan 0.000 0.516 2504 D N -0.365 120.030 120.400 -0.008 0.000 2.413 2504 D HA -0.111 4.529 4.640 0.000 0.000 0.171 2504 D C 0.449 176.746 176.300 -0.005 0.000 0.895 2504 D CA 2.552 56.559 54.000 0.011 0.000 0.985 2504 D CB -1.510 39.312 40.800 0.036 0.000 1.047 2504 D HN 2.314 nan 8.370 nan 0.000 0.486 2505 G N -0.511 108.263 108.800 -0.044 0.000 2.907 2505 G HA2 0.499 4.459 3.960 0.000 0.000 0.686 2505 G HA3 0.499 4.459 3.960 0.000 0.000 0.686 2505 G C 0.158 175.018 174.900 -0.066 0.000 1.115 2505 G CA 0.424 45.488 45.100 -0.061 0.000 0.760 2505 G HN 1.370 nan 8.290 nan 0.000 0.620 2506 G N -0.086 108.647 108.800 -0.111 0.000 3.400 2506 G HA2 0.305 4.265 3.960 0.000 0.000 0.679 2506 G HA3 0.305 4.265 3.960 0.000 0.000 0.679 2506 G C -0.349 174.487 174.900 -0.107 0.000 1.239 2506 G CA 0.099 45.178 45.100 -0.035 0.000 1.049 2506 G HN 1.626 nan 8.290 nan 0.000 0.539 2507 W N 2.263 123.539 121.300 -0.040 0.000 2.419 2507 W HA 0.532 5.192 4.660 0.000 0.000 0.312 2507 W C 0.779 177.234 176.519 -0.108 0.000 1.323 2507 W CA -0.623 56.686 57.345 -0.061 0.000 1.293 2507 W CB 1.113 30.526 29.460 -0.078 0.000 1.324 2507 W HN 0.605 nan 8.180 nan 0.000 0.512 2508 L N 6.283 127.536 121.223 0.051 0.000 2.272 2508 L HA 0.514 4.854 4.340 0.000 0.000 0.284 2508 L C -0.638 176.135 176.870 -0.161 0.000 1.045 2508 L CA -0.354 54.422 54.840 -0.107 0.000 0.842 2508 L CB 0.008 41.954 42.059 -0.189 0.000 1.224 2508 L HN 0.325 nan 8.230 nan 0.000 0.430 2509 I N 7.341 127.805 120.570 -0.176 0.000 2.312 2509 I HA 0.313 4.483 4.170 0.000 0.000 0.291 2509 I C -1.775 174.166 176.117 -0.293 0.000 1.031 2509 I CA -1.906 59.240 61.300 -0.257 0.000 1.293 2509 I CB 0.945 38.839 38.000 -0.177 0.000 1.403 2509 I HN 0.491 nan 8.210 nan 0.000 0.484 2510 P HA -0.032 nan 4.420 nan 0.000 0.270 2510 P C -0.500 176.704 177.300 -0.159 0.000 1.221 2510 P CA -0.102 62.852 63.100 -0.244 0.000 0.788 2510 P CB 0.402 31.936 31.700 -0.277 0.000 0.904 2511 S N 0.412 116.064 115.700 -0.080 0.000 2.617 2511 S HA 0.241 4.711 4.470 0.000 0.000 0.283 2511 S C 1.132 175.712 174.600 -0.033 0.000 1.189 2511 S CA -0.675 57.495 58.200 -0.051 0.000 1.036 2511 S CB 0.562 63.754 63.200 -0.014 0.000 1.014 2511 S HN 0.321 nan 8.310 nan 0.000 0.522 2512 N N 2.117 120.799 118.700 -0.031 0.000 2.049 2512 N HA -0.189 4.551 4.740 0.000 0.000 0.198 2512 N C 0.747 176.257 175.510 0.001 0.000 1.030 2512 N CA 2.026 55.064 53.050 -0.020 0.000 0.870 2512 N CB -0.754 37.724 38.487 -0.015 0.000 1.045 2512 N HN 0.749 nan 8.380 nan 0.000 0.434 2513 D N 0.346 120.755 120.400 0.013 0.000 2.411 2513 D HA -0.044 4.596 4.640 0.000 0.000 0.226 2513 D C 1.252 177.581 176.300 0.048 0.000 0.988 2513 D CA 0.927 54.946 54.000 0.031 0.000 0.938 2513 D CB -0.354 40.469 40.800 0.040 0.000 0.883 2513 D HN 0.500 nan 8.370 nan 0.000 0.525 2514 G N 0.960 109.787 108.800 0.046 0.000 2.143 2514 G HA2 -0.316 3.645 3.960 0.000 0.000 0.249 2514 G HA3 -0.316 3.645 3.960 0.000 0.000 0.249 2514 G C 0.279 175.244 174.900 0.109 0.000 0.981 2514 G CA 0.393 45.537 45.100 0.073 0.000 0.665 2514 G HN 0.380 nan 8.290 nan 0.000 0.528 2515 K N -0.495 119.965 120.400 0.100 0.000 2.267 2515 K HA 0.841 5.161 4.320 0.000 0.000 0.236 2515 K C 0.208 176.878 176.600 0.116 0.000 1.030 2515 K CA -0.265 56.110 56.287 0.147 0.000 0.930 2515 K CB 1.641 34.230 32.500 0.148 0.000 1.182 2515 K HN 0.828 nan 8.250 nan 0.000 0.474 2516 A N 0.863 123.784 122.820 0.168 0.000 3.422 2516 A HA 0.421 4.741 4.320 0.000 0.000 0.271 2516 A C -0.131 177.529 177.584 0.126 0.000 1.104 2516 A CA -0.533 51.521 52.037 0.027 0.000 0.899 2516 A CB 0.135 19.168 19.000 0.055 0.000 1.309 2516 A HN 0.718 nan 8.150 nan 0.000 0.580 2517 G N 0.214 109.086 108.800 0.120 0.000 2.543 2517 G HA2 0.432 4.392 3.960 0.000 0.000 0.267 2517 G HA3 0.432 4.392 3.960 0.000 0.000 0.267 2517 G C 0.781 175.681 174.900 0.000 0.000 1.406 2517 G CA -0.230 45.004 45.100 0.224 0.000 1.048 2517 G HN 0.477 nan 8.290 nan 0.000 0.548 2518 K N -0.110 120.230 120.400 -0.101 0.000 2.001 2518 K HA -0.171 4.150 4.320 0.000 0.000 0.223 2518 K C 2.228 178.786 176.600 -0.070 0.000 1.055 2518 K CA 1.915 58.035 56.287 -0.279 0.000 0.965 2518 K CB -0.252 32.198 32.500 -0.083 0.000 0.730 2518 K HN 0.331 nan 8.250 nan 0.000 0.449 2519 E N 1.225 121.421 120.200 -0.007 0.000 2.114 2519 E HA -0.247 4.103 4.350 0.000 0.000 0.199 2519 E C 2.028 178.653 176.600 0.042 0.000 1.008 2519 E CA 1.587 58.014 56.400 0.044 0.000 0.810 2519 E CB -0.339 29.368 29.700 0.012 0.000 0.739 2519 E HN 0.319 nan 8.360 nan 0.000 0.456 2520 E N 0.154 120.302 120.200 -0.088 0.000 2.065 2520 E HA -0.177 4.173 4.350 0.000 0.000 0.201 2520 E C 2.040 178.475 176.600 -0.275 0.000 1.016 2520 E CA 1.183 57.442 56.400 -0.236 0.000 0.818 2520 E CB -0.669 28.774 29.700 -0.428 0.000 0.749 2520 E HN 0.336 nan 8.360 nan 0.000 0.453 2521 F N -0.962 118.893 119.950 -0.159 0.000 2.146 2521 F HA -0.155 4.372 4.527 0.000 0.000 0.298 2521 F C 2.310 178.067 175.800 -0.072 0.000 1.096 2521 F CA 1.205 59.109 58.000 -0.160 0.000 1.275 2521 F CB -0.526 38.293 39.000 -0.302 0.000 1.008 2521 F HN 0.080 nan 8.300 nan 0.000 0.480 2522 Y N 1.030 121.366 120.300 0.059 0.000 2.181 2522 Y HA -0.217 4.333 4.550 0.000 0.000 0.288 2522 Y C 2.550 178.463 175.900 0.022 0.000 1.146 2522 Y CA 1.345 59.481 58.100 0.059 0.000 1.164 2522 Y CB -0.205 38.282 38.460 0.044 0.000 0.982 2522 Y HN -0.213 nan 8.280 nan 0.000 0.515 2523 R N 0.673 121.208 120.500 0.058 0.000 2.082 2523 R HA -0.180 4.160 4.340 0.000 0.000 0.234 2523 R C 2.557 178.798 176.300 -0.099 0.000 1.136 2523 R CA 1.425 57.512 56.100 -0.022 0.000 0.935 2523 R CB -1.500 28.803 30.300 0.005 0.000 0.842 2523 R HN 0.511 nan 8.270 nan 0.000 0.430 2524 A N 1.421 124.201 122.820 -0.066 0.000 1.859 2524 A HA -0.184 4.136 4.320 0.000 0.000 0.217 2524 A C 2.120 179.670 177.584 -0.057 0.000 1.198 2524 A CA 1.543 53.561 52.037 -0.033 0.000 0.629 2524 A CB -0.862 18.122 19.000 -0.027 0.000 0.830 2524 A HN 0.273 nan 8.150 nan 0.000 0.446 2525 L N -0.528 120.657 121.223 -0.065 0.000 2.563 2525 L HA -0.177 4.163 4.340 0.000 0.000 0.230 2525 L C 1.778 178.511 176.870 -0.227 0.000 1.162 2525 L CA 1.593 56.371 54.840 -0.104 0.000 0.812 2525 L CB -0.784 41.246 42.059 -0.048 0.000 0.935 2525 L HN 0.513 nan 8.230 nan 0.000 0.451 2526 C N -2.189 116.962 119.300 -0.248 0.000 2.820 2526 C HA 0.193 4.653 4.460 0.000 0.000 0.323 2526 C C 2.132 177.035 174.990 -0.145 0.000 1.279 2526 C CA -0.021 58.839 59.018 -0.264 0.000 1.790 2526 C CB -0.217 27.326 27.740 -0.328 0.000 2.328 2526 C HN 0.490 nan 8.230 nan 0.000 0.579 2527 D N 0.992 121.344 120.400 -0.080 0.000 2.289 2527 D HA -0.026 4.614 4.640 0.000 0.000 0.207 2527 D C 0.611 176.916 176.300 0.009 0.000 0.966 2527 D CA 0.721 54.724 54.000 0.004 0.000 0.868 2527 D CB -0.034 40.821 40.800 0.092 0.000 0.943 2527 D HN 0.297 nan 8.370 nan 0.000 0.514 2528 T N 3.003 117.534 114.554 -0.038 0.000 2.829 2528 T HA 0.130 4.480 4.350 0.000 0.000 0.293 2528 T C -2.416 172.259 174.700 -0.041 0.000 0.970 2528 T CA -0.854 61.225 62.100 -0.036 0.000 1.168 2528 T CB 1.218 70.053 68.868 -0.054 0.000 0.911 2528 T HN 0.043 nan 8.240 nan 0.000 0.535 2529 P HA 0.234 nan 4.420 nan 0.000 0.268 2529 P C 0.981 178.290 177.300 0.015 0.000 1.204 2529 P CA 0.656 63.758 63.100 0.005 0.000 0.768 2529 P CB 0.451 32.162 31.700 0.019 0.000 0.842 2530 G N 1.061 109.874 108.800 0.020 0.000 2.157 2530 G HA2 -0.176 3.784 3.960 0.000 0.000 0.248 2530 G HA3 -0.176 3.784 3.960 0.000 0.000 0.248 2530 G C -0.078 174.883 174.900 0.102 0.000 0.979 2530 G CA -0.252 44.885 45.100 0.062 0.000 0.650 2530 G HN 0.520 nan 8.290 nan 0.000 0.529 2531 V N 0.887 120.779 119.914 -0.036 0.000 2.555 2531 V HA 0.617 4.737 4.120 0.000 0.000 0.302 2531 V C -0.609 175.369 176.094 -0.193 0.000 1.038 2531 V CA -0.638 61.496 62.300 -0.276 0.000 0.887 2531 V CB 1.973 33.473 31.823 -0.537 0.000 0.991 2531 V HN 0.300 nan 8.190 nan 0.000 0.434 2532 D N 6.617 126.935 120.400 -0.137 0.000 2.427 2532 D HA 0.361 5.001 4.640 0.000 0.000 0.226 2532 D C -1.450 174.770 176.300 -0.133 0.000 1.076 2532 D CA -2.202 51.757 54.000 -0.067 0.000 0.849 2532 D CB 2.249 43.072 40.800 0.038 0.000 1.052 2532 D HN 0.241 nan 8.370 nan 0.000 0.515 2533 P HA -0.114 nan 4.420 nan 0.000 0.231 2533 P C 0.721 177.994 177.300 -0.046 0.000 1.158 2533 P CA 0.645 63.660 63.100 -0.140 0.000 0.763 2533 P CB 0.499 32.119 31.700 -0.133 0.000 0.805 2534 K N -0.178 120.207 120.400 -0.025 0.000 2.116 2534 K HA 0.048 4.369 4.320 0.000 0.000 0.203 2534 K C 1.991 178.593 176.600 0.003 0.000 1.052 2534 K CA 0.877 57.168 56.287 0.006 0.000 0.952 2534 K CB -0.307 32.199 32.500 0.009 0.000 0.729 2534 K HN 0.200 nan 8.250 nan 0.000 0.446 2535 L N 1.344 122.561 121.223 -0.011 0.000 2.554 2535 L HA 0.160 4.500 4.340 0.000 0.000 0.226 2535 L C 1.044 177.836 176.870 -0.129 0.000 1.137 2535 L CA -0.035 54.789 54.840 -0.028 0.000 0.863 2535 L CB -0.415 41.667 42.059 0.038 0.000 0.985 2535 L HN 0.189 nan 8.230 nan 0.000 0.451 2536 I N -3.802 116.693 120.570 -0.125 0.000 3.237 2536 I HA 0.839 5.009 4.170 0.000 0.000 0.308 2536 I C -0.327 175.882 176.117 0.153 0.000 1.093 2536 I CA -0.681 60.519 61.300 -0.166 0.000 1.001 2536 I CB 2.181 40.056 38.000 -0.209 0.000 1.245 2536 I HN -0.095 nan 8.210 nan 0.000 0.485 2537 S N -0.257 115.705 115.700 0.437 0.000 2.586 2537 S HA 0.206 4.676 4.470 0.000 0.000 0.277 2537 S C 0.128 174.987 174.600 0.431 0.000 1.131 2537 S CA -0.180 58.316 58.200 0.493 0.000 0.848 2537 S CB 1.048 64.390 63.200 0.237 0.000 1.091 2537 S HN 0.759 nan 8.310 nan 0.000 0.453 2538 S N 0.490 116.082 115.700 -0.179 0.000 2.389 2538 S HA -0.168 4.302 4.470 0.000 0.000 0.231 2538 S C 1.943 176.558 174.600 0.026 0.000 1.052 2538 S CA 1.994 60.014 58.200 -0.301 0.000 1.053 2538 S CB -0.892 61.999 63.200 -0.516 0.000 0.886 2538 S HN 0.800 nan 8.310 nan 0.000 0.456 2539 I N -1.571 119.046 120.570 0.078 0.000 2.546 2539 I HA -0.050 4.120 4.170 0.000 0.000 0.255 2539 I C 2.074 178.288 176.117 0.161 0.000 1.163 2539 I CA 0.901 62.257 61.300 0.093 0.000 1.457 2539 I CB -1.631 36.424 38.000 0.091 0.000 1.092 2539 I HN 0.458 nan 8.210 nan 0.000 0.434 2540 W N 2.603 123.972 121.300 0.116 0.000 2.380 2540 W HA -0.112 4.548 4.660 0.000 0.000 0.317 2540 W C 2.527 179.141 176.519 0.158 0.000 1.196 2540 W CA 2.141 59.587 57.345 0.168 0.000 1.307 2540 W CB -0.514 29.095 29.460 0.248 0.000 1.157 2540 W HN -0.129 nan 8.180 nan 0.000 0.483 2541 V N 1.616 121.769 119.914 0.399 0.000 2.332 2541 V HA -0.322 3.798 4.120 0.000 0.000 0.248 2541 V C 2.513 178.622 176.094 0.025 0.000 1.055 2541 V CA 1.984 64.414 62.300 0.216 0.000 1.038 2541 V CB -1.908 30.150 31.823 0.393 0.000 0.651 2541 V HN 0.360 nan 8.190 nan 0.000 0.450 2542 A N 0.448 123.282 122.820 0.023 0.000 1.859 2542 A HA -0.420 3.900 4.320 0.000 0.000 0.218 2542 A C 2.121 179.626 177.584 -0.131 0.000 1.242 2542 A CA 2.824 54.836 52.037 -0.042 0.000 0.661 2542 A CB -1.326 17.636 19.000 -0.063 0.000 0.842 2542 A HN 0.660 nan 8.150 nan 0.000 0.455 2543 N N -1.825 116.748 118.700 -0.213 0.000 2.055 2543 N HA -0.324 4.417 4.740 0.000 0.000 0.200 2543 N C 1.810 177.140 175.510 -0.300 0.000 1.037 2543 N CA 1.992 54.863 53.050 -0.298 0.000 0.881 2543 N CB -0.329 37.912 38.487 -0.410 0.000 1.075 2543 N HN 0.653 nan 8.380 nan 0.000 0.470 2544 H N -1.232 117.681 119.070 -0.261 0.000 2.456 2544 H HA -0.135 4.421 4.556 0.000 0.000 0.296 2544 H C 1.587 176.817 175.328 -0.163 0.000 1.079 2544 H CA 1.011 56.898 56.048 -0.268 0.000 1.322 2544 H CB -0.593 28.816 29.762 -0.587 0.000 1.388 2544 H HN 0.497 nan 8.280 nan 0.000 0.538 2545 Y N 1.996 122.188 120.300 -0.180 0.000 2.497 2545 Y HA -0.129 4.421 4.550 0.000 0.000 0.292 2545 Y C 2.619 178.393 175.900 -0.211 0.000 1.137 2545 Y CA 0.963 58.937 58.100 -0.211 0.000 1.285 2545 Y CB -0.131 38.213 38.460 -0.193 0.000 0.991 2545 Y HN 0.014 nan 8.280 nan 0.000 0.556 2546 R N -0.819 119.489 120.500 -0.319 0.000 2.056 2546 R HA -0.144 4.196 4.340 0.000 0.000 0.227 2546 R C 1.959 178.005 176.300 -0.423 0.000 1.149 2546 R CA 2.051 57.823 56.100 -0.546 0.000 0.937 2546 R CB -0.881 28.895 30.300 -0.873 0.000 0.835 2546 R HN 0.399 nan 8.270 nan 0.000 0.430 2547 W N 0.809 122.018 121.300 -0.151 0.000 2.388 2547 W HA 0.053 4.714 4.660 0.000 0.000 0.294 2547 W C 1.880 178.357 176.519 -0.071 0.000 1.212 2547 W CA 0.156 57.454 57.345 -0.079 0.000 1.271 2547 W CB -0.134 29.237 29.460 -0.147 0.000 1.126 2547 W HN 0.083 nan 8.180 nan 0.000 0.535 2548 I N -0.126 120.479 120.570 0.059 0.000 2.916 2548 I HA -0.184 3.986 4.170 0.000 0.000 0.267 2548 I C 1.713 177.798 176.117 -0.054 0.000 1.263 2548 I CA 0.481 61.755 61.300 -0.044 0.000 1.471 2548 I CB -0.581 37.355 38.000 -0.105 0.000 1.089 2548 I HN -0.086 nan 8.210 nan 0.000 0.468 2549 V N -0.160 119.721 119.914 -0.056 0.000 2.423 2549 V HA -0.139 3.981 4.120 0.000 0.000 0.233 2549 V C 1.958 178.114 176.094 0.103 0.000 1.067 2549 V CA 0.955 63.237 62.300 -0.029 0.000 1.073 2549 V CB -0.665 31.078 31.823 -0.134 0.000 0.715 2549 V HN 0.525 nan 8.190 nan 0.000 0.485 2550 W N 1.809 123.067 121.300 -0.069 0.000 2.276 2550 W HA -0.349 4.311 4.660 0.000 0.000 0.307 2550 W C 2.538 179.057 176.519 0.001 0.000 1.240 2550 W CA 2.961 60.290 57.345 -0.026 0.000 1.249 2550 W CB -0.150 29.297 29.460 -0.021 0.000 1.140 2550 W HN 0.254 nan 8.180 nan 0.000 0.519 2551 K N -0.342 120.132 120.400 0.124 0.000 1.985 2551 K HA -0.211 4.109 4.320 0.000 0.000 0.210 2551 K C 2.126 178.638 176.600 -0.146 0.000 1.047 2551 K CA 2.171 58.424 56.287 -0.056 0.000 0.932 2551 K CB -0.740 31.760 32.500 -0.001 0.000 0.716 2551 K HN 0.255 nan 8.250 nan 0.000 0.439 2552 L N 0.958 122.123 121.223 -0.097 0.000 1.943 2552 L HA -0.225 4.115 4.340 0.000 0.000 0.215 2552 L C 2.733 179.546 176.870 -0.096 0.000 1.074 2552 L CA 1.412 56.180 54.840 -0.119 0.000 0.759 2552 L CB -1.007 41.015 42.059 -0.062 0.000 0.888 2552 L HN 0.405 nan 8.230 nan 0.000 0.433 2553 A N 0.463 123.271 122.820 -0.021 0.000 1.879 2553 A HA -0.405 3.915 4.320 0.000 0.000 0.222 2553 A C 2.507 180.042 177.584 -0.082 0.000 1.368 2553 A CA 3.099 55.136 52.037 -0.001 0.000 0.707 2553 A CB -1.431 17.592 19.000 0.037 0.000 0.846 2553 A HN 0.507 nan 8.150 nan 0.000 0.468 2554 A N -1.212 121.479 122.820 -0.214 0.000 1.971 2554 A HA -0.267 4.053 4.320 0.000 0.000 0.222 2554 A C 2.174 179.639 177.584 -0.199 0.000 1.182 2554 A CA 2.359 54.228 52.037 -0.280 0.000 0.649 2554 A CB -0.722 17.943 19.000 -0.559 0.000 0.818 2554 A HN 0.637 nan 8.150 nan 0.000 0.458 2555 M N -0.986 118.480 119.600 -0.223 0.000 2.700 2555 M HA -0.075 4.405 4.480 0.000 0.000 0.249 2555 M C 1.608 177.870 176.300 -0.064 0.000 1.082 2555 M CA 0.768 55.913 55.300 -0.257 0.000 1.077 2555 M CB -0.203 32.125 32.600 -0.453 0.000 1.477 2555 M HN 0.546 nan 8.290 nan 0.000 0.529 2556 E N 0.165 120.353 120.200 -0.021 0.000 2.062 2556 E HA 0.038 4.388 4.350 0.000 0.000 0.196 2556 E C 0.035 176.675 176.600 0.067 0.000 0.949 2556 E CA 0.116 56.549 56.400 0.054 0.000 0.889 2556 E CB 0.152 29.889 29.700 0.062 0.000 0.928 2556 E HN 0.267 nan 8.360 nan 0.000 0.476 2557 F N 0.554 120.506 119.950 0.003 0.000 2.659 2557 F HA 0.058 4.585 4.527 0.000 0.000 0.356 2557 F C 0.388 176.214 175.800 0.044 0.000 1.273 2557 F CA 0.168 58.185 58.000 0.029 0.000 1.243 2557 F CB -0.123 38.880 39.000 0.005 0.000 1.683 2557 F HN 0.113 nan 8.300 nan 0.000 0.679 2558 A N 2.360 125.262 122.820 0.137 0.000 1.547 2558 A HA 0.202 4.522 4.320 0.000 0.000 0.206 2558 A C 0.191 178.150 177.584 0.625 0.000 1.773 2558 A CA -0.215 52.002 52.037 0.300 0.000 1.530 2558 A CB -0.141 18.923 19.000 0.107 0.000 1.435 2558 A HN 0.354 nan 8.150 nan 0.000 0.420 2559 F N 0.250 120.165 119.950 -0.057 0.000 2.818 2559 F HA 0.255 4.782 4.527 0.000 0.000 0.369 2559 F C -1.874 173.792 175.800 -0.225 0.000 1.327 2559 F CA -1.632 56.256 58.000 -0.186 0.000 1.211 2559 F CB 0.913 39.735 39.000 -0.297 0.000 1.036 2559 F HN 0.112 nan 8.300 nan 0.000 0.510 2560 P HA -0.305 nan 4.420 nan 0.000 0.222 2560 P C 1.623 178.778 177.300 -0.241 0.000 1.154 2560 P CA 1.822 64.899 63.100 -0.038 0.000 0.874 2560 P CB 0.111 31.808 31.700 -0.005 0.000 0.787 2561 K N -0.890 119.282 120.400 -0.381 0.000 2.283 2561 K HA -0.169 4.151 4.320 0.000 0.000 0.202 2561 K C 1.690 177.934 176.600 -0.593 0.000 1.048 2561 K CA 1.315 57.150 56.287 -0.753 0.000 0.948 2561 K CB 0.025 32.228 32.500 -0.494 0.000 0.742 2561 K HN -0.056 nan 8.250 nan 0.000 0.458 2562 E N -1.060 118.853 120.200 -0.478 0.000 2.514 2562 E HA 0.156 4.506 4.350 0.000 0.000 0.215 2562 E C -1.070 175.206 176.600 -0.539 0.000 0.946 2562 E CA 0.006 56.073 56.400 -0.554 0.000 1.038 2562 E CB 0.569 29.847 29.700 -0.703 0.000 1.069 2562 E HN 0.086 nan 8.360 nan 0.000 0.503 2563 F N 0.097 120.015 119.950 -0.053 0.000 2.676 2563 F HA 0.606 5.133 4.527 0.000 0.000 0.371 2563 F C 0.693 176.471 175.800 -0.037 0.000 1.141 2563 F CA -1.229 56.745 58.000 -0.044 0.000 1.133 2563 F CB 0.465 39.429 39.000 -0.060 0.000 1.376 2563 F HN -0.043 nan 8.300 nan 0.000 0.491 2564 A N 2.765 125.672 122.820 0.145 0.000 3.289 2564 A HA 0.031 4.352 4.320 0.000 0.000 0.157 2564 A C 1.241 178.897 177.584 0.119 0.000 1.293 2564 A CA 1.018 53.124 52.037 0.116 0.000 0.896 2564 A CB -0.271 18.792 19.000 0.106 0.000 0.998 2564 A HN 0.728 nan 8.150 nan 0.000 0.519 2565 N N -1.014 117.750 118.700 0.107 0.000 2.171 2565 N HA 0.063 4.803 4.740 0.000 0.000 0.212 2565 N C 0.771 176.334 175.510 0.088 0.000 1.184 2565 N CA 0.018 53.131 53.050 0.106 0.000 0.888 2565 N CB 0.328 38.891 38.487 0.126 0.000 1.038 2565 N HN 0.524 nan 8.380 nan 0.000 0.517 2566 R N -0.354 120.193 120.500 0.078 0.000 2.366 2566 R HA 0.107 4.447 4.340 0.000 0.000 0.201 2566 R C 1.242 177.555 176.300 0.022 0.000 1.057 2566 R CA 0.363 56.493 56.100 0.050 0.000 1.086 2566 R CB -0.594 29.744 30.300 0.063 0.000 0.914 2566 R HN 0.175 nan 8.270 nan 0.000 0.476 2567 C N -0.462 118.849 119.300 0.018 0.000 2.508 2567 C HA 0.276 4.736 4.460 0.000 0.000 0.303 2567 C C 1.715 176.693 174.990 -0.020 0.000 1.496 2567 C CA -0.210 58.783 59.018 -0.041 0.000 2.041 2567 C CB -0.378 27.323 27.740 -0.066 0.000 2.011 2567 C HN 0.645 nan 8.230 nan 0.000 0.655 2568 L N 2.794 124.033 121.223 0.026 0.000 2.660 2568 L HA 0.151 4.491 4.340 0.000 0.000 0.238 2568 L C -0.131 176.777 176.870 0.064 0.000 1.161 2568 L CA -0.084 54.792 54.840 0.059 0.000 0.937 2568 L CB -0.793 41.320 42.059 0.090 0.000 1.122 2568 L HN 0.590 nan 8.230 nan 0.000 0.435 2569 N N -0.414 118.285 118.700 -0.003 0.000 2.518 2569 N HA 0.081 4.821 4.740 0.000 0.000 0.266 2569 N C -1.850 173.695 175.510 0.059 0.000 1.196 2569 N CA -1.457 51.538 53.050 -0.092 0.000 0.947 2569 N CB -0.104 38.316 38.487 -0.113 0.000 1.098 2569 N HN -0.100 nan 8.380 nan 0.000 0.450 2570 P HA -0.119 nan 4.420 nan 0.000 0.250 2570 P C -0.376 176.949 177.300 0.041 0.000 1.239 2570 P CA 1.011 64.047 63.100 -0.107 0.000 0.756 2570 P CB 0.090 31.756 31.700 -0.057 0.000 1.013 2571 E N -0.978 119.230 120.200 0.013 0.000 2.526 2571 E HA 0.119 4.469 4.350 0.000 0.000 0.208 2571 E C 1.724 178.321 176.600 -0.005 0.000 0.997 2571 E CA -0.104 56.307 56.400 0.019 0.000 0.961 2571 E CB 0.338 30.036 29.700 -0.004 0.000 1.030 2571 E HN 0.081 nan 8.360 nan 0.000 0.483 2572 R N 0.073 120.556 120.500 -0.029 0.000 2.335 2572 R HA 0.114 4.454 4.340 0.000 0.000 0.210 2572 R C 1.688 177.953 176.300 -0.058 0.000 0.892 2572 R CA 0.223 56.299 56.100 -0.040 0.000 1.048 2572 R CB 0.563 30.831 30.300 -0.052 0.000 1.067 2572 R HN -0.069 nan 8.270 nan 0.000 0.524 2573 V N 0.368 120.223 119.914 -0.099 0.000 2.283 2573 V HA -0.113 4.007 4.120 0.000 0.000 0.239 2573 V C 1.698 177.723 176.094 -0.114 0.000 1.035 2573 V CA 1.235 63.420 62.300 -0.191 0.000 1.018 2573 V CB -0.321 31.222 31.823 -0.467 0.000 0.658 2573 V HN 0.227 nan 8.190 nan 0.000 0.459 2574 L N -0.498 120.708 121.223 -0.029 0.000 2.633 2574 L HA 0.018 4.358 4.340 0.000 0.000 0.235 2574 L C 1.737 178.648 176.870 0.068 0.000 1.163 2574 L CA 1.438 56.326 54.840 0.080 0.000 0.859 2574 L CB -0.442 41.721 42.059 0.175 0.000 0.973 2574 L HN 0.221 nan 8.230 nan 0.000 0.451 2575 L N -1.990 119.258 121.223 0.042 0.000 2.354 2575 L HA 0.000 4.340 4.340 0.000 0.000 0.212 2575 L C 2.060 178.993 176.870 0.106 0.000 1.091 2575 L CA 0.506 55.382 54.840 0.060 0.000 0.828 2575 L CB 0.127 42.200 42.059 0.023 0.000 0.973 2575 L HN 0.386 nan 8.230 nan 0.000 0.461 2576 Q N -0.641 119.208 119.800 0.082 0.000 2.226 2576 Q HA -0.020 4.320 4.340 0.000 0.000 0.199 2576 Q C 2.217 178.303 176.000 0.143 0.000 0.945 2576 Q CA 0.558 56.443 55.803 0.137 0.000 0.861 2576 Q CB 0.283 29.038 28.738 0.029 0.000 0.953 2576 Q HN 0.443 nan 8.270 nan 0.000 0.490 2577 L N 1.183 122.453 121.223 0.078 0.000 2.127 2577 L HA -0.206 4.134 4.340 0.000 0.000 0.211 2577 L C 2.551 179.572 176.870 0.251 0.000 1.089 2577 L CA 0.969 55.879 54.840 0.116 0.000 0.757 2577 L CB -0.305 41.820 42.059 0.109 0.000 0.899 2577 L HN 0.099 nan 8.230 nan 0.000 0.434 2578 K N -0.485 120.048 120.400 0.222 0.000 2.116 2578 K HA -0.195 4.125 4.320 0.000 0.000 0.203 2578 K C 2.083 178.876 176.600 0.322 0.000 1.052 2578 K CA 1.240 57.683 56.287 0.260 0.000 0.952 2578 K CB -0.356 32.262 32.500 0.196 0.000 0.729 2578 K HN 0.179 nan 8.250 nan 0.000 0.446 2579 Y N 2.260 122.673 120.300 0.189 0.000 2.097 2579 Y HA -0.213 4.337 4.550 0.000 0.000 0.282 2579 Y C 2.029 178.098 175.900 0.281 0.000 1.152 2579 Y CA 1.907 60.141 58.100 0.224 0.000 1.136 2579 Y CB -0.228 38.330 38.460 0.163 0.000 0.975 2579 Y HN 0.009 nan 8.280 nan 0.000 0.498 2580 R N -1.260 119.255 120.500 0.026 0.000 2.105 2580 R HA -0.255 4.085 4.340 0.000 0.000 0.239 2580 R C 2.184 178.688 176.300 0.340 0.000 1.135 2580 R CA 1.801 57.976 56.100 0.126 0.000 0.967 2580 R CB -1.235 28.971 30.300 -0.158 0.000 0.861 2580 R HN 0.528 nan 8.270 nan 0.000 0.442 2581 Y N 2.305 122.781 120.300 0.294 0.000 2.403 2581 Y HA -0.180 4.370 4.550 0.000 0.000 0.291 2581 Y C 1.192 177.076 175.900 -0.026 0.000 1.143 2581 Y CA 1.367 59.543 58.100 0.127 0.000 1.257 2581 Y CB -0.022 38.468 38.460 0.049 0.000 0.984 2581 Y HN 0.011 nan 8.280 nan 0.000 0.550 2582 D N -0.919 119.396 120.400 -0.142 0.000 2.197 2582 D HA -0.093 4.547 4.640 0.000 0.000 0.212 2582 D C 2.388 178.427 176.300 -0.435 0.000 0.963 2582 D CA 1.459 55.209 54.000 -0.417 0.000 0.864 2582 D CB -0.543 39.998 40.800 -0.432 0.000 1.009 2582 D HN 0.271 nan 8.370 nan 0.000 0.479 2583 V N 1.127 120.881 119.914 -0.267 0.000 2.343 2583 V HA -0.177 3.943 4.120 0.000 0.000 0.247 2583 V C 2.275 178.279 176.094 -0.151 0.000 1.051 2583 V CA 1.800 64.004 62.300 -0.160 0.000 1.036 2583 V CB -0.286 31.435 31.823 -0.169 0.000 0.654 2583 V HN 0.228 nan 8.190 nan 0.000 0.451 2584 E N -0.828 119.329 120.200 -0.070 0.000 2.244 2584 E HA -0.002 4.348 4.350 0.000 0.000 0.196 2584 E C 1.998 178.543 176.600 -0.093 0.000 0.939 2584 E CA 0.288 56.678 56.400 -0.017 0.000 0.884 2584 E CB 0.374 30.216 29.700 0.237 0.000 0.850 2584 E HN 0.446 nan 8.360 nan 0.000 0.481 2585 I N 1.433 121.851 120.570 -0.253 0.000 3.228 2585 I HA -0.042 4.128 4.170 0.000 0.000 0.279 2585 I C 1.895 177.740 176.117 -0.453 0.000 1.221 2585 I CA 0.656 61.721 61.300 -0.392 0.000 1.458 2585 I CB -0.430 37.203 38.000 -0.611 0.000 1.105 2585 I HN 0.138 nan 8.210 nan 0.000 0.445 2586 D N 1.485 121.583 120.400 -0.504 0.000 2.429 2586 D HA -0.041 4.599 4.640 0.000 0.000 0.242 2586 D C 1.224 177.373 176.300 -0.251 0.000 1.076 2586 D CA 0.866 54.630 54.000 -0.393 0.000 0.955 2586 D CB -0.029 40.497 40.800 -0.456 0.000 1.076 2586 D HN 0.173 nan 8.370 nan 0.000 0.448 2587 N N 1.111 119.661 118.700 -0.250 0.000 2.413 2587 N HA -0.047 4.693 4.740 0.000 0.000 0.207 2587 N C -0.074 175.369 175.510 -0.112 0.000 1.206 2587 N CA 0.458 53.422 53.050 -0.144 0.000 0.832 2587 N CB -0.026 38.401 38.487 -0.101 0.000 1.037 2587 N HN 0.165 nan 8.380 nan 0.000 0.467 2588 S N 0.725 116.341 115.700 -0.138 0.000 3.375 2588 S HA -0.255 4.215 4.470 0.000 0.000 0.235 2588 S C 0.036 174.586 174.600 -0.084 0.000 0.683 2588 S CA 0.574 58.710 58.200 -0.107 0.000 1.383 2588 S CB -1.164 61.983 63.200 -0.089 0.000 1.014 2588 S HN 0.349 nan 8.310 nan 0.000 0.393 2589 R N 1.424 121.865 120.500 -0.098 0.000 2.295 2589 R HA 0.431 4.771 4.340 0.000 0.000 0.324 2589 R C 0.128 176.343 176.300 -0.142 0.000 0.968 2589 R CA -0.659 55.377 56.100 -0.105 0.000 0.837 2589 R CB 1.101 31.338 30.300 -0.105 0.000 1.133 2589 R HN 0.541 nan 8.270 nan 0.000 0.450 2590 R N 1.078 121.508 120.500 -0.115 0.000 2.346 2590 R HA 0.165 4.506 4.340 0.000 0.000 0.311 2590 R C 0.384 176.600 176.300 -0.140 0.000 0.983 2590 R CA -0.270 55.770 56.100 -0.100 0.000 0.880 2590 R CB 1.823 32.100 30.300 -0.037 0.000 1.100 2590 R HN 0.565 nan 8.270 nan 0.000 0.453 2591 S N 2.010 117.597 115.700 -0.188 0.000 2.614 2591 S HA -0.048 4.422 4.470 0.000 0.000 0.251 2591 S C 1.461 176.056 174.600 -0.008 0.000 1.388 2591 S CA 0.459 58.532 58.200 -0.212 0.000 0.973 2591 S CB 0.717 63.878 63.200 -0.064 0.000 0.926 2591 S HN 0.702 nan 8.310 nan 0.000 0.580 2592 A N 1.331 124.159 122.820 0.012 0.000 1.898 2592 A HA 0.103 4.423 4.320 0.000 0.000 0.216 2592 A C 2.234 179.825 177.584 0.011 0.000 1.181 2592 A CA 1.345 53.413 52.037 0.053 0.000 0.620 2592 A CB -0.827 18.048 19.000 -0.208 0.000 0.819 2592 A HN 0.792 nan 8.150 nan 0.000 0.442 2593 L N -1.007 120.220 121.223 0.008 0.000 2.418 2593 L HA -0.010 4.330 4.340 0.000 0.000 0.218 2593 L C 2.448 179.336 176.870 0.030 0.000 1.125 2593 L CA 1.095 55.946 54.840 0.017 0.000 0.835 2593 L CB -0.259 41.824 42.059 0.039 0.000 0.953 2593 L HN 0.434 nan 8.230 nan 0.000 0.454 2594 K N 0.298 120.722 120.400 0.040 0.000 2.155 2594 K HA -0.109 4.211 4.320 0.000 0.000 0.203 2594 K C 2.049 178.640 176.600 -0.014 0.000 1.052 2594 K CA 0.722 56.972 56.287 -0.061 0.000 0.948 2594 K CB 0.298 32.755 32.500 -0.072 0.000 0.728 2594 K HN 0.108 nan 8.250 nan 0.000 0.448 2595 K N 1.064 121.491 120.400 0.045 0.000 1.965 2595 K HA -0.121 4.200 4.320 0.000 0.000 0.214 2595 K C 2.152 178.792 176.600 0.066 0.000 1.046 2595 K CA 1.089 57.415 56.287 0.066 0.000 0.944 2595 K CB -0.446 32.144 32.500 0.149 0.000 0.726 2595 K HN 0.128 nan 8.250 nan 0.000 0.441 2596 I N 2.084 122.718 120.570 0.106 0.000 2.074 2596 I HA -0.343 3.827 4.170 0.000 0.000 0.238 2596 I C 2.549 178.688 176.117 0.036 0.000 1.037 2596 I CA 1.519 62.869 61.300 0.083 0.000 1.301 2596 I CB -1.282 36.755 38.000 0.062 0.000 1.016 2596 I HN 0.159 nan 8.210 nan 0.000 0.400 2597 L N 0.616 121.848 121.223 0.014 0.000 1.970 2597 L HA -0.212 4.128 4.340 0.000 0.000 0.212 2597 L C 2.339 179.205 176.870 -0.006 0.000 1.071 2597 L CA 1.854 56.692 54.840 -0.003 0.000 0.751 2597 L CB -1.333 40.711 42.059 -0.026 0.000 0.889 2597 L HN 0.407 nan 8.230 nan 0.000 0.432 2598 E N -0.065 120.125 120.200 -0.015 0.000 2.533 2598 E HA -0.145 4.205 4.350 0.000 0.000 0.203 2598 E C 0.012 176.611 176.600 -0.001 0.000 1.101 2598 E CA -0.193 56.199 56.400 -0.014 0.000 0.894 2598 E CB 0.007 29.694 29.700 -0.022 0.000 0.843 2598 E HN 0.225 nan 8.360 nan 0.000 0.552 2599 R N 0.632 121.137 120.500 0.009 0.000 3.332 2599 R HA -0.167 4.173 4.340 0.000 0.000 0.263 2599 R C -0.713 175.594 176.300 0.012 0.000 1.053 2599 R CA 0.582 56.690 56.100 0.014 0.000 0.705 2599 R CB -1.727 28.578 30.300 0.008 0.000 1.166 2599 R HN 0.213 nan 8.270 nan 0.000 0.427 2600 D N -0.810 119.601 120.400 0.018 0.000 2.563 2600 D HA 0.138 4.778 4.640 0.000 0.000 0.237 2600 D C 0.430 176.734 176.300 0.006 0.000 1.282 2600 D CA 0.062 54.066 54.000 0.007 0.000 0.816 2600 D CB 0.452 41.251 40.800 -0.003 0.000 1.066 2600 D HN 0.266 nan 8.370 nan 0.000 0.501 2601 D N -2.138 118.283 120.400 0.035 0.000 2.481 2601 D HA -0.093 4.547 4.640 0.000 0.000 0.568 2601 D C 1.378 177.745 176.300 0.111 0.000 0.968 2601 D CA 0.608 54.630 54.000 0.036 0.000 1.126 2601 D CB 0.009 40.813 40.800 0.005 0.000 1.576 2601 D HN -0.121 nan 8.370 nan 0.000 0.365 2602 T N 1.199 115.815 114.554 0.104 0.000 2.783 2602 T HA -0.347 4.003 4.350 0.000 0.000 0.218 2602 T C 1.133 175.908 174.700 0.126 0.000 1.314 2602 T CA 2.497 64.656 62.100 0.097 0.000 1.059 2602 T CB -1.267 67.633 68.868 0.053 0.000 0.791 2602 T HN 0.674 nan 8.240 nan 0.000 0.509 2603 A N 1.216 124.103 122.820 0.111 0.000 2.568 2603 A HA 0.256 4.576 4.320 0.000 0.000 0.273 2603 A C 1.270 178.970 177.584 0.194 0.000 0.978 2603 A CA 0.774 52.883 52.037 0.121 0.000 0.946 2603 A CB -0.276 18.788 19.000 0.105 0.000 0.842 2603 A HN 1.004 nan 8.150 nan 0.000 0.484 2604 A N 3.664 126.559 122.820 0.125 0.000 2.346 2604 A HA 0.274 4.594 4.320 0.000 0.000 0.242 2604 A C 0.988 178.650 177.584 0.130 0.000 1.323 2604 A CA 0.304 52.400 52.037 0.098 0.000 0.940 2604 A CB -0.725 18.297 19.000 0.037 0.000 0.943 2604 A HN 0.945 nan 8.150 nan 0.000 0.501 2605 K N -0.438 120.094 120.400 0.219 0.000 2.580 2605 K HA 0.036 4.356 4.320 0.000 0.000 0.278 2605 K C -0.275 176.495 176.600 0.283 0.000 0.960 2605 K CA 0.413 56.849 56.287 0.249 0.000 0.988 2605 K CB -0.590 32.074 32.500 0.274 0.000 0.887 2605 K HN 0.060 nan 8.250 nan 0.000 0.509 2606 T N 2.148 116.876 114.554 0.291 0.000 2.190 2606 T HA -0.146 4.204 4.350 0.000 0.000 0.175 2606 T C -0.059 174.782 174.700 0.235 0.000 1.091 2606 T CA 0.627 62.914 62.100 0.311 0.000 1.860 2606 T CB -0.610 68.506 68.868 0.414 0.000 0.973 2606 T HN 0.364 nan 8.240 nan 0.000 0.415 2607 L N 3.446 124.720 121.223 0.086 0.000 2.319 2607 L HA 0.738 5.078 4.340 0.000 0.000 0.267 2607 L C -0.233 176.601 176.870 -0.061 0.000 1.011 2607 L CA -1.175 53.636 54.840 -0.050 0.000 0.818 2607 L CB 2.076 44.045 42.059 -0.149 0.000 1.316 2607 L HN 0.244 nan 8.230 nan 0.000 0.432 2608 V N 3.447 123.313 119.914 -0.079 0.000 2.419 2608 V HA 0.448 4.568 4.120 0.000 0.000 0.287 2608 V C -0.136 175.913 176.094 -0.076 0.000 1.017 2608 V CA -0.255 61.987 62.300 -0.096 0.000 0.844 2608 V CB 1.554 33.320 31.823 -0.094 0.000 1.011 2608 V HN 0.525 nan 8.190 nan 0.000 0.429 2609 L N 3.074 124.257 121.223 -0.066 0.000 2.216 2609 L HA 0.787 5.128 4.340 0.000 0.000 0.260 2609 L C -0.549 176.311 176.870 -0.016 0.000 1.036 2609 L CA -0.679 54.130 54.840 -0.052 0.000 0.914 2609 L CB 2.251 44.276 42.059 -0.056 0.000 1.501 2609 L HN 0.648 nan 8.230 nan 0.000 0.485 2610 C N 1.425 120.725 119.300 0.000 0.000 2.701 2610 C HA 0.498 4.958 4.460 0.000 0.000 0.336 2610 C C -0.365 174.661 174.990 0.061 0.000 1.123 2610 C CA -0.895 58.160 59.018 0.063 0.000 1.326 2610 C CB 0.383 28.205 27.740 0.138 0.000 1.833 2610 C HN 0.568 nan 8.230 nan 0.000 0.473 2611 I N 4.974 125.595 120.570 0.084 0.000 2.618 2611 I HA 0.432 4.602 4.170 0.000 0.000 0.284 2611 I C 0.674 176.819 176.117 0.047 0.000 1.146 2611 I CA 0.452 61.791 61.300 0.065 0.000 1.425 2611 I CB 0.494 38.539 38.000 0.074 0.000 1.383 2611 I HN 0.826 nan 8.210 nan 0.000 0.562 2612 S N 3.329 119.035 115.700 0.011 0.000 4.359 2612 S HA 0.288 4.758 4.470 0.000 0.000 0.202 2612 S C -0.050 174.522 174.600 -0.047 0.000 1.078 2612 S CA -0.538 57.623 58.200 -0.063 0.000 1.776 2612 S CB -0.012 63.186 63.200 -0.003 0.000 0.891 2612 S HN 0.657 nan 8.310 nan 0.000 0.780 2613 D N 1.100 121.471 120.400 -0.048 0.000 2.423 2613 D HA 0.457 5.097 4.640 0.000 0.000 0.238 2613 D C -0.154 176.142 176.300 -0.006 0.000 1.142 2613 D CA 0.380 54.360 54.000 -0.033 0.000 0.884 2613 D CB 0.184 40.964 40.800 -0.034 0.000 1.199 2613 D HN 0.400 nan 8.370 nan 0.000 0.438 2638 D N 1.160 121.568 120.400 0.013 0.000 2.262 2638 D HA 0.277 4.917 4.640 0.000 0.000 0.212 2638 D C 0.936 177.246 176.300 0.017 0.000 0.964 2638 D CA 2.181 56.190 54.000 0.015 0.000 0.875 2638 D CB 0.835 41.643 40.800 0.013 0.000 0.996 2638 D HN 0.878 nan 8.370 nan 0.000 0.497 2639 T N -1.688 112.875 114.554 0.016 0.000 2.816 2639 T HA 0.520 4.870 4.350 0.000 0.000 0.299 2639 T C -0.009 174.702 174.700 0.018 0.000 1.230 2639 T CA -0.992 61.118 62.100 0.018 0.000 1.007 2639 T CB 1.677 70.556 68.868 0.017 0.000 1.289 2639 T HN 0.075 nan 8.240 nan 0.000 0.508 2640 I N -1.615 118.967 120.570 0.020 0.000 3.573 2640 I HA 0.804 4.974 4.170 0.000 0.000 0.285 2640 I C -0.631 175.499 176.117 0.022 0.000 1.203 2640 I CA -1.451 59.861 61.300 0.020 0.000 1.033 2640 I CB 1.276 39.290 38.000 0.024 0.000 1.348 2640 I HN 1.050 nan 8.210 nan 0.000 0.525 2641 E N 1.118 121.333 120.200 0.025 0.000 2.263 2641 E HA 0.624 4.974 4.350 0.000 0.000 0.268 2641 E C -1.725 174.898 176.600 0.038 0.000 0.884 2641 E CA -0.603 55.818 56.400 0.035 0.000 0.766 2641 E CB 2.263 31.989 29.700 0.044 0.000 1.196 2641 E HN 0.622 nan 8.360 nan 0.000 0.416 2642 L N 1.923 123.163 121.223 0.029 0.000 2.331 2642 L HA 0.667 5.008 4.340 0.000 0.000 0.268 2642 L C 0.214 177.073 176.870 -0.019 0.000 1.015 2642 L CA -0.769 54.077 54.840 0.010 0.000 0.807 2642 L CB 2.088 44.144 42.059 -0.005 0.000 1.293 2642 L HN 0.501 nan 8.230 nan 0.000 0.451 2643 T N -1.936 112.566 114.554 -0.087 0.000 2.883 2643 T HA 0.292 4.642 4.350 0.000 0.000 0.301 2643 T C -0.698 173.876 174.700 -0.210 0.000 1.158 2643 T CA -0.553 61.395 62.100 -0.253 0.000 1.007 2643 T CB 1.516 69.985 68.868 -0.664 0.000 1.186 2643 T HN 0.736 nan 8.240 nan 0.000 0.499 2644 D N 0.533 120.803 120.400 -0.215 0.000 2.369 2644 D HA 0.348 4.988 4.640 0.000 0.000 0.211 2644 D C 1.493 177.758 176.300 -0.059 0.000 1.077 2644 D CA 0.642 54.587 54.000 -0.092 0.000 0.842 2644 D CB 0.098 40.879 40.800 -0.033 0.000 0.947 2644 D HN 1.023 nan 8.370 nan 0.000 0.509 2645 G N -0.489 108.107 108.800 -0.340 0.000 2.232 2645 G HA2 -0.287 3.673 3.960 0.000 0.000 0.226 2645 G HA3 -0.287 3.673 3.960 0.000 0.000 0.226 2645 G C 0.650 175.128 174.900 -0.702 0.000 0.996 2645 G CA 0.024 44.873 45.100 -0.419 0.000 0.626 2645 G HN 0.261 nan 8.290 nan 0.000 0.509 2646 W N -0.373 120.542 121.300 -0.641 0.000 2.850 2646 W HA 0.614 5.274 4.660 0.000 0.000 0.260 2646 W C 1.054 176.962 176.519 -1.017 0.000 1.129 2646 W CA 0.496 57.478 57.345 -0.606 0.000 1.587 2646 W CB 0.172 29.478 29.460 -0.257 0.000 1.041 2646 W HN 0.198 nan 8.180 nan 0.000 0.614 2647 Y N -0.732 119.514 120.300 -0.090 0.000 2.665 2647 Y HA 0.706 5.256 4.550 0.000 0.000 0.336 2647 Y C -0.100 175.709 175.900 -0.153 0.000 1.085 2647 Y CA -1.853 56.218 58.100 -0.049 0.000 1.096 2647 Y CB 1.431 39.924 38.460 0.056 0.000 1.301 2647 Y HN -0.264 nan 8.280 nan 0.000 0.493 2648 A N 0.772 123.697 122.820 0.176 0.000 2.486 2648 A HA 0.808 5.128 4.320 0.000 0.000 0.300 2648 A C -1.538 176.119 177.584 0.122 0.000 1.048 2648 A CA -0.645 51.455 52.037 0.104 0.000 0.696 2648 A CB 1.093 20.241 19.000 0.247 0.000 1.278 2648 A HN 0.880 nan 8.150 nan 0.000 0.405 2649 V N -0.696 119.259 119.914 0.068 0.000 3.001 2649 V HA 0.714 4.835 4.120 0.000 0.000 0.314 2649 V C -0.296 175.823 176.094 0.042 0.000 1.099 2649 V CA -1.193 61.141 62.300 0.056 0.000 0.989 2649 V CB 1.836 33.680 31.823 0.035 0.000 1.040 2649 V HN 0.850 nan 8.190 nan 0.000 0.434 2650 R N 1.966 122.489 120.500 0.037 0.000 2.220 2650 R HA 0.668 5.008 4.340 0.000 0.000 0.340 2650 R C 0.491 176.804 176.300 0.021 0.000 1.076 2650 R CA 0.190 56.308 56.100 0.029 0.000 0.920 2650 R CB 1.228 31.545 30.300 0.028 0.000 1.062 2650 R HN 1.072 nan 8.270 nan 0.000 0.469 2651 A N 3.004 125.835 122.820 0.018 0.000 2.262 2651 A HA 0.086 4.406 4.320 0.000 0.000 0.273 2651 A C -0.105 177.488 177.584 0.014 0.000 1.202 2651 A CA -0.022 52.023 52.037 0.013 0.000 0.811 2651 A CB 0.453 19.460 19.000 0.011 0.000 1.159 2651 A HN 0.686 nan 8.150 nan 0.000 0.505 2652 Q N -0.311 119.497 119.800 0.013 0.000 2.483 2652 Q HA 0.503 4.843 4.340 0.000 0.000 0.245 2652 Q C -1.642 174.367 176.000 0.015 0.000 0.902 2652 Q CA -0.215 55.596 55.803 0.014 0.000 0.767 2652 Q CB 0.740 29.485 28.738 0.013 0.000 1.341 2652 Q HN 0.682 nan 8.270 nan 0.000 0.453 2653 L N 2.320 123.554 121.223 0.019 0.000 2.453 2653 L HA 0.381 4.721 4.340 0.000 0.000 0.261 2653 L C 0.333 177.218 176.870 0.025 0.000 1.179 2653 L CA -0.594 54.259 54.840 0.022 0.000 0.813 2653 L CB 0.345 42.421 42.059 0.028 0.000 1.110 2653 L HN 0.664 nan 8.230 nan 0.000 0.466 2654 D N 0.084 120.502 120.400 0.029 0.000 2.387 2654 D HA 0.300 4.940 4.640 0.000 0.000 0.255 2654 D C -2.155 174.174 176.300 0.048 0.000 1.081 2654 D CA -2.272 51.748 54.000 0.035 0.000 0.994 2654 D CB 0.270 41.090 40.800 0.034 0.000 1.127 2654 D HN 0.087 nan 8.370 nan 0.000 0.513 2655 P HA -0.166 nan 4.420 nan 0.000 0.219 2655 P C -1.465 175.882 177.300 0.077 0.000 1.161 2655 P CA 2.350 65.483 63.100 0.055 0.000 0.909 2655 P CB -1.022 30.708 31.700 0.050 0.000 0.793 2656 P HA -0.103 nan 4.420 nan 0.000 0.221 2656 P C 1.388 178.793 177.300 0.174 0.000 1.145 2656 P CA 1.152 64.369 63.100 0.196 0.000 0.795 2656 P CB -0.383 31.534 31.700 0.362 0.000 0.775 2657 L N -2.221 119.067 121.223 0.108 0.000 2.145 2657 L HA 0.008 4.349 4.340 0.000 0.000 0.201 2657 L C 2.416 179.327 176.870 0.068 0.000 1.075 2657 L CA 0.796 55.683 54.840 0.079 0.000 0.773 2657 L CB -0.669 41.419 42.059 0.049 0.000 0.936 2657 L HN -0.105 nan 8.230 nan 0.000 0.451 2658 M N -0.290 119.345 119.600 0.058 0.000 2.192 2658 M HA -0.272 4.208 4.480 0.000 0.000 0.259 2658 M C 2.319 178.648 176.300 0.047 0.000 1.071 2658 M CA 2.034 57.361 55.300 0.045 0.000 1.082 2658 M CB -0.944 31.680 32.600 0.040 0.000 1.373 2658 M HN 0.364 nan 8.290 nan 0.000 0.408 2659 A N -0.607 122.248 122.820 0.059 0.000 1.935 2659 A HA 0.011 4.331 4.320 0.000 0.000 0.214 2659 A C 2.057 179.678 177.584 0.061 0.000 1.178 2659 A CA 0.576 52.646 52.037 0.054 0.000 0.640 2659 A CB -0.544 18.488 19.000 0.054 0.000 0.825 2659 A HN 0.448 nan 8.150 nan 0.000 0.447 2660 L N 0.182 121.454 121.223 0.082 0.000 2.622 2660 L HA -0.054 4.286 4.340 0.000 0.000 0.233 2660 L C 1.524 178.431 176.870 0.062 0.000 1.156 2660 L CA 0.212 55.101 54.840 0.082 0.000 0.866 2660 L CB 0.187 42.310 42.059 0.106 0.000 0.980 2660 L HN 0.310 nan 8.230 nan 0.000 0.448 2661 V N -2.012 117.933 119.914 0.052 0.000 3.048 2661 V HA -0.074 4.046 4.120 0.000 0.000 0.241 2661 V C 2.111 178.227 176.094 0.037 0.000 1.129 2661 V CA 0.507 62.833 62.300 0.044 0.000 1.128 2661 V CB -0.101 31.746 31.823 0.040 0.000 0.849 2661 V HN 0.282 nan 8.190 nan 0.000 0.475 2662 K N 1.449 121.870 120.400 0.035 0.000 2.283 2662 K HA -0.141 4.179 4.320 0.000 0.000 0.202 2662 K C 2.186 178.802 176.600 0.027 0.000 1.048 2662 K CA 1.569 57.872 56.287 0.028 0.000 0.948 2662 K CB -0.019 32.496 32.500 0.026 0.000 0.742 2662 K HN 0.554 nan 8.250 nan 0.000 0.458 2663 S N -1.046 114.673 115.700 0.032 0.000 2.470 2663 S HA 0.124 4.594 4.470 0.000 0.000 0.222 2663 S C 0.878 175.498 174.600 0.033 0.000 1.024 2663 S CA 0.559 58.777 58.200 0.031 0.000 0.931 2663 S CB 0.340 63.561 63.200 0.035 0.000 0.791 2663 S HN 0.435 nan 8.310 nan 0.000 0.513 2664 G N 0.991 109.813 108.800 0.038 0.000 2.683 2664 G HA2 -0.106 3.854 3.960 0.000 0.000 0.234 2664 G HA3 -0.106 3.854 3.960 0.000 0.000 0.234 2664 G C 0.183 175.110 174.900 0.046 0.000 1.135 2664 G CA 0.194 45.317 45.100 0.039 0.000 0.975 2664 G HN 0.416 nan 8.290 nan 0.000 0.511 2665 K N -0.360 120.071 120.400 0.052 0.000 2.325 2665 K HA 0.403 4.723 4.320 0.000 0.000 0.203 2665 K C 1.561 178.196 176.600 0.059 0.000 1.128 2665 K CA 0.310 56.632 56.287 0.057 0.000 0.931 2665 K CB 0.049 32.587 32.500 0.064 0.000 1.125 2665 K HN 0.400 nan 8.250 nan 0.000 0.487 2666 L N 2.806 124.064 121.223 0.057 0.000 2.448 2666 L HA 0.115 4.455 4.340 0.000 0.000 0.278 2666 L C 0.030 176.938 176.870 0.065 0.000 1.201 2666 L CA 0.006 54.881 54.840 0.059 0.000 1.036 2666 L CB -0.015 42.075 42.059 0.051 0.000 1.325 2666 L HN 0.105 nan 8.230 nan 0.000 0.441 2667 T N 2.702 117.302 114.554 0.076 0.000 2.782 2667 T HA 0.178 4.528 4.350 0.000 0.000 0.298 2667 T C 0.411 175.181 174.700 0.117 0.000 0.944 2667 T CA -0.502 61.649 62.100 0.086 0.000 1.001 2667 T CB 0.105 69.024 68.868 0.086 0.000 0.932 2667 T HN 0.208 nan 8.240 nan 0.000 0.524 2668 V N 5.233 125.210 119.914 0.105 0.000 2.996 2668 V HA 0.112 4.232 4.120 0.000 0.000 0.289 2668 V C 1.609 177.848 176.094 0.241 0.000 1.171 2668 V CA 1.895 64.270 62.300 0.126 0.000 1.298 2668 V CB -0.692 31.181 31.823 0.084 0.000 0.803 2668 V HN 1.307 nan 8.190 nan 0.000 0.448 2669 G N 3.269 112.261 108.800 0.321 0.000 2.155 2669 G HA2 -0.138 3.822 3.960 0.000 0.000 0.135 2669 G HA3 -0.138 3.822 3.960 0.000 0.000 0.135 2669 G C -0.334 174.768 174.900 0.338 0.000 1.023 2669 G CA 0.149 45.596 45.100 0.578 0.000 0.688 2669 G HN 0.912 nan 8.290 nan 0.000 0.499 2670 Q N -0.211 119.731 119.800 0.237 0.000 2.433 2670 Q HA 0.695 5.035 4.340 0.000 0.000 0.279 2670 Q C -0.649 175.423 176.000 0.121 0.000 1.105 2670 Q CA -0.984 54.916 55.803 0.161 0.000 0.815 2670 Q CB 1.429 30.240 28.738 0.122 0.000 1.403 2670 Q HN 0.199 nan 8.270 nan 0.000 0.435 2671 K N 2.985 123.434 120.400 0.081 0.000 2.183 2671 K HA 0.451 4.771 4.320 0.000 0.000 0.274 2671 K C -0.251 176.340 176.600 -0.014 0.000 1.009 2671 K CA -0.274 56.028 56.287 0.024 0.000 0.888 2671 K CB 0.979 33.471 32.500 -0.013 0.000 1.078 2671 K HN 0.506 nan 8.250 nan 0.000 0.459 2672 I N -0.987 119.563 120.570 -0.033 0.000 3.617 2672 I HA 0.586 4.756 4.170 0.000 0.000 0.283 2672 I C -0.364 175.691 176.117 -0.103 0.000 1.160 2672 I CA -1.351 59.918 61.300 -0.052 0.000 1.084 2672 I CB 1.335 39.324 38.000 -0.017 0.000 1.365 2672 I HN 0.425 nan 8.210 nan 0.000 0.494 2673 I N 1.493 122.004 120.570 -0.098 0.000 2.700 2673 I HA 0.173 4.343 4.170 0.000 0.000 0.272 2673 I C -0.439 175.705 176.117 0.045 0.000 1.293 2673 I CA -0.308 60.909 61.300 -0.138 0.000 0.989 2673 I CB 1.315 39.070 38.000 -0.408 0.000 1.301 2673 I HN 0.675 nan 8.210 nan 0.000 0.525 2674 T N 0.423 115.020 114.554 0.072 0.000 2.754 2674 T HA 0.462 4.812 4.350 0.000 0.000 0.286 2674 T C 0.270 175.097 174.700 0.213 0.000 0.997 2674 T CA -0.217 61.966 62.100 0.138 0.000 0.982 2674 T CB 2.231 71.131 68.868 0.053 0.000 1.027 2674 T HN 0.487 nan 8.240 nan 0.000 0.529 2675 Q N -0.226 119.661 119.800 0.145 0.000 3.074 2675 Q HA 0.399 4.739 4.340 0.000 0.000 0.208 2675 Q C 2.182 178.213 176.000 0.052 0.000 1.167 2675 Q CA -0.333 55.543 55.803 0.121 0.000 0.323 2675 Q CB -0.292 28.441 28.738 -0.008 0.000 5.787 2675 Q HN 0.846 nan 8.270 nan 0.000 0.307 2676 G N 1.157 109.949 108.800 -0.013 0.000 2.975 2676 G HA2 0.050 4.010 3.960 0.000 0.000 0.201 2676 G HA3 0.050 4.010 3.960 0.000 0.000 0.201 2676 G C 0.468 175.352 174.900 -0.027 0.000 1.191 2676 G CA 0.617 45.689 45.100 -0.048 0.000 0.913 2676 G HN 0.483 nan 8.290 nan 0.000 0.505 2677 A N -0.627 122.192 122.820 -0.002 0.000 2.630 2677 A HA 0.360 4.680 4.320 0.000 0.000 0.248 2677 A C 0.574 178.157 177.584 -0.003 0.000 1.149 2677 A CA 1.022 53.057 52.037 -0.003 0.000 0.859 2677 A CB 0.199 19.199 19.000 0.000 0.000 1.073 2677 A HN 0.576 nan 8.150 nan 0.000 0.525 2678 E N -1.415 118.784 120.200 -0.001 0.000 2.422 2678 E HA 0.522 4.873 4.350 0.000 0.000 0.280 2678 E C -1.836 174.767 176.600 0.005 0.000 1.091 2678 E CA -0.711 55.690 56.400 0.002 0.000 0.849 2678 E CB 0.794 30.492 29.700 -0.004 0.000 1.353 2678 E HN 0.598 nan 8.360 nan 0.000 0.449 2679 L N 1.710 122.937 121.223 0.008 0.000 2.325 2679 L HA 0.673 5.013 4.340 0.000 0.000 0.278 2679 L C -0.656 176.219 176.870 0.008 0.000 1.023 2679 L CA -1.017 53.828 54.840 0.009 0.000 0.811 2679 L CB 1.745 43.811 42.059 0.012 0.000 1.249 2679 L HN 0.312 nan 8.230 nan 0.000 0.431 2680 V N 0.190 120.109 119.914 0.008 0.000 2.789 2680 V HA 0.594 4.715 4.120 0.000 0.000 0.311 2680 V C 0.602 176.701 176.094 0.009 0.000 1.073 2680 V CA -0.210 62.095 62.300 0.008 0.000 0.921 2680 V CB 1.551 33.379 31.823 0.008 0.000 1.009 2680 V HN 0.980 nan 8.190 nan 0.000 0.426 2681 G N 3.153 111.958 108.800 0.009 0.000 2.198 2681 G HA2 -0.216 3.744 3.960 0.000 0.000 0.260 2681 G HA3 -0.216 3.744 3.960 0.000 0.000 0.260 2681 G C 0.225 175.131 174.900 0.010 0.000 1.025 2681 G CA 0.380 45.486 45.100 0.010 0.000 0.769 2681 G HN 1.543 nan 8.290 nan 0.000 0.507 2682 S N 0.291 115.997 115.700 0.009 0.000 2.567 2682 S HA 0.653 5.123 4.470 0.000 0.000 0.262 2682 S C -0.264 174.341 174.600 0.008 0.000 1.237 2682 S CA -0.369 57.836 58.200 0.009 0.000 1.093 2682 S CB 2.136 65.342 63.200 0.010 0.000 1.095 2682 S HN 0.334 nan 8.310 nan 0.000 0.489 2683 P HA 0.153 nan 4.420 nan 0.000 0.199 2683 P C -0.264 177.040 177.300 0.006 0.000 1.146 2683 P CA 0.999 64.103 63.100 0.007 0.000 0.905 2683 P CB 0.135 31.839 31.700 0.006 0.000 0.737 2684 D N -2.604 117.799 120.400 0.005 0.000 2.831 2684 D HA 0.510 5.150 4.640 0.000 0.000 0.240 2684 D C 0.713 177.015 176.300 0.003 0.000 1.183 2684 D CA -0.175 53.828 54.000 0.005 0.000 1.079 2684 D CB 0.169 40.971 40.800 0.003 0.000 1.262 2684 D HN 0.132 nan 8.370 nan 0.000 0.634 2685 A N -0.139 122.681 122.820 0.001 0.000 3.111 2685 A HA 0.110 4.430 4.320 0.000 0.000 0.864 2685 A C 0.704 178.285 177.584 -0.005 0.000 0.562 2685 A CA 1.956 53.991 52.037 -0.003 0.000 2.966 2685 A CB -1.380 17.618 19.000 -0.004 0.000 1.490 2685 A HN 1.615 nan 8.150 nan 0.000 0.902 2686 C N -5.701 113.594 119.300 -0.008 0.000 0.168 2686 C HA 0.424 4.884 4.460 0.000 0.000 0.017 2686 C C -0.122 174.852 174.990 -0.027 0.000 0.171 2686 C CA -0.882 58.130 59.018 -0.009 0.000 0.499 2686 C CB -1.814 25.925 27.740 -0.003 0.000 3.212 2686 C HN 2.602 nan 8.230 nan 0.000 1.118 2687 A N 4.774 127.578 122.820 -0.026 0.000 2.276 2687 A HA 0.800 5.120 4.320 0.000 0.000 0.300 2687 A C -0.196 177.337 177.584 -0.085 0.000 1.235 2687 A CA -0.674 51.325 52.037 -0.062 0.000 0.867 2687 A CB 0.352 19.342 19.000 -0.016 0.000 1.137 2687 A HN 1.115 nan 8.150 nan 0.000 0.527 2688 P HA -0.235 nan 4.420 nan 0.000 0.221 2688 P C 1.009 178.304 177.300 -0.009 0.000 1.142 2688 P CA 1.289 64.307 63.100 -0.137 0.000 0.804 2688 P CB 0.073 31.563 31.700 -0.350 0.000 0.756 2689 L N -0.816 120.412 121.223 0.007 0.000 2.249 2689 L HA 0.037 4.377 4.340 0.000 0.000 0.207 2689 L C 1.704 178.616 176.870 0.071 0.000 1.090 2689 L CA 0.971 55.871 54.840 0.099 0.000 0.802 2689 L CB -0.587 41.565 42.059 0.154 0.000 0.947 2689 L HN -0.057 nan 8.230 nan 0.000 0.453 2690 E N 1.064 121.291 120.200 0.045 0.000 2.336 2690 E HA 0.228 4.578 4.350 0.000 0.000 0.214 2690 E C 0.278 176.895 176.600 0.028 0.000 1.144 2690 E CA -0.393 56.029 56.400 0.037 0.000 1.294 2690 E CB 0.405 30.124 29.700 0.031 0.000 1.263 2690 E HN 0.249 nan 8.360 nan 0.000 0.439 2691 A N 2.631 125.471 122.820 0.033 0.000 2.476 2691 A HA 0.184 4.504 4.320 0.000 0.000 0.275 2691 A C -2.105 175.496 177.584 0.029 0.000 1.133 2691 A CA -1.191 50.864 52.037 0.030 0.000 0.797 2691 A CB -0.356 18.671 19.000 0.044 0.000 1.081 2691 A HN 0.038 nan 8.150 nan 0.000 0.510 2692 P HA -0.002 nan 4.420 nan 0.000 0.258 2692 P C -0.111 177.202 177.300 0.022 0.000 1.172 2692 P CA 0.165 63.278 63.100 0.020 0.000 0.762 2692 P CB 0.536 32.245 31.700 0.016 0.000 0.764 2693 D N 1.314 121.727 120.400 0.022 0.000 2.355 2693 D HA -0.078 4.562 4.640 0.000 0.000 0.253 2693 D C 0.940 177.252 176.300 0.019 0.000 1.187 2693 D CA 0.416 54.429 54.000 0.022 0.000 0.900 2693 D CB -0.217 40.596 40.800 0.022 0.000 0.915 2693 D HN 0.400 nan 8.370 nan 0.000 0.516 2694 S N -0.167 115.544 115.700 0.018 0.000 3.142 2694 S HA 0.016 4.486 4.470 0.000 0.000 0.223 2694 S C 0.862 175.471 174.600 0.016 0.000 0.939 2694 S CA -0.535 57.674 58.200 0.015 0.000 0.826 2694 S CB -0.266 62.942 63.200 0.013 0.000 0.823 2694 S HN 0.268 nan 8.310 nan 0.000 0.612 2695 L N 2.724 123.957 121.223 0.015 0.000 2.685 2695 L HA 0.044 4.384 4.340 0.000 0.000 0.305 2695 L C -0.211 176.668 176.870 0.016 0.000 1.258 2695 L CA 0.460 55.309 54.840 0.015 0.000 0.876 2695 L CB 0.121 42.189 42.059 0.015 0.000 1.124 2695 L HN 0.504 nan 8.230 nan 0.000 0.507 2696 R N 3.349 123.858 120.500 0.014 0.000 2.734 2696 R HA 0.554 4.895 4.340 0.000 0.000 0.271 2696 R C -1.666 174.641 176.300 0.011 0.000 1.021 2696 R CA -1.054 55.054 56.100 0.015 0.000 0.893 2696 R CB 1.437 31.746 30.300 0.014 0.000 1.244 2696 R HN 0.520 nan 8.270 nan 0.000 0.464 2697 L N 0.954 122.183 121.223 0.010 0.000 2.332 2697 L HA 0.502 4.842 4.340 0.000 0.000 0.269 2697 L C -0.770 176.103 176.870 0.005 0.000 1.016 2697 L CA -0.211 54.632 54.840 0.006 0.000 0.809 2697 L CB 1.354 43.413 42.059 0.001 0.000 1.280 2697 L HN 0.497 nan 8.230 nan 0.000 0.447 2698 K N 3.452 123.854 120.400 0.003 0.000 2.530 2698 K HA 0.391 4.711 4.320 0.000 0.000 0.230 2698 K C -1.137 175.463 176.600 0.000 0.000 1.002 2698 K CA -0.610 55.679 56.287 0.003 0.000 1.014 2698 K CB 0.454 32.955 32.500 0.002 0.000 1.286 2698 K HN 0.505 nan 8.250 nan 0.000 0.480 2699 I N 1.467 122.038 120.570 0.002 0.000 2.882 2699 I HA 0.057 4.227 4.170 0.000 0.000 0.286 2699 I C 0.252 176.368 176.117 -0.002 0.000 1.139 2699 I CA 0.353 61.654 61.300 0.001 0.000 1.379 2699 I CB 1.603 39.606 38.000 0.005 0.000 1.410 2699 I HN 0.411 nan 8.210 nan 0.000 0.594 2700 S N 3.544 119.238 115.700 -0.010 0.000 2.721 2700 S HA 0.499 4.969 4.470 0.000 0.000 0.264 2700 S C 0.880 175.454 174.600 -0.042 0.000 1.161 2700 S CA -0.206 57.982 58.200 -0.020 0.000 1.113 2700 S CB 1.407 64.591 63.200 -0.026 0.000 1.079 2700 S HN 0.828 nan 8.310 nan 0.000 0.479 2701 A N 3.814 126.605 122.820 -0.048 0.000 1.853 2701 A HA -0.327 3.993 4.320 0.000 0.000 0.255 2701 A C 1.966 179.433 177.584 -0.195 0.000 2.273 2701 A CA 2.618 54.584 52.037 -0.119 0.000 0.797 2701 A CB -1.012 17.919 19.000 -0.114 0.000 0.844 2701 A HN 0.792 nan 8.150 nan 0.000 0.520 2702 N N -0.215 118.376 118.700 -0.182 0.000 2.348 2702 N HA -0.070 4.670 4.740 0.000 0.000 0.185 2702 N C 0.259 175.675 175.510 -0.157 0.000 1.019 2702 N CA 1.316 54.254 53.050 -0.187 0.000 0.880 2702 N CB -0.175 38.242 38.487 -0.116 0.000 0.965 2702 N HN 0.450 nan 8.380 nan 0.000 0.437 2703 S N 0.443 116.071 115.700 -0.121 0.000 2.383 2703 S HA 0.252 4.722 4.470 0.000 0.000 0.227 2703 S C -0.488 174.119 174.600 0.012 0.000 1.261 2703 S CA -0.418 57.706 58.200 -0.126 0.000 1.262 2703 S CB 0.900 64.023 63.200 -0.129 0.000 0.992 2703 S HN 0.049 nan 8.310 nan 0.000 0.491 2704 T N 2.139 116.727 114.554 0.058 0.000 3.767 2704 T HA 0.388 4.738 4.350 0.000 0.000 0.360 2704 T C -1.167 173.574 174.700 0.069 0.000 1.181 2704 T CA -0.855 61.306 62.100 0.101 0.000 1.110 2704 T CB 1.229 70.110 68.868 0.022 0.000 1.201 2704 T HN 0.050 nan 8.240 nan 0.000 0.474 2705 R N 2.231 122.780 120.500 0.081 0.000 2.569 2705 R HA 0.388 4.728 4.340 0.000 0.000 0.293 2705 R C -3.095 173.176 176.300 -0.049 0.000 1.186 2705 R CA -1.817 54.294 56.100 0.018 0.000 0.956 2705 R CB 1.460 31.802 30.300 0.070 0.000 1.196 2705 R HN 0.413 nan 8.270 nan 0.000 0.444 2706 P HA -0.177 nan 4.420 nan 0.000 0.269 2706 P C -0.844 176.407 177.300 -0.083 0.000 1.153 2706 P CA 0.816 63.895 63.100 -0.035 0.000 0.754 2706 P CB 0.526 32.227 31.700 0.002 0.000 0.758 2707 A N 3.065 125.830 122.820 -0.093 0.000 2.350 2707 A HA 0.625 4.945 4.320 0.000 0.000 0.324 2707 A C -0.148 177.383 177.584 -0.087 0.000 1.118 2707 A CA -0.744 51.202 52.037 -0.151 0.000 0.783 2707 A CB 0.888 19.752 19.000 -0.227 0.000 1.236 2707 A HN 0.393 nan 8.150 nan 0.000 0.457 2708 R N 1.413 121.854 120.500 -0.099 0.000 2.715 2708 R HA -0.119 4.221 4.340 0.000 0.000 0.266 2708 R C 1.582 177.907 176.300 0.041 0.000 0.981 2708 R CA 0.737 56.842 56.100 0.008 0.000 1.105 2708 R CB 0.054 30.335 30.300 -0.033 0.000 0.953 2708 R HN 0.955 nan 8.270 nan 0.000 0.432 2709 W N 3.074 124.477 121.300 0.172 0.000 2.325 2709 W HA -0.184 4.476 4.660 0.000 0.000 0.299 2709 W C 0.297 176.937 176.519 0.201 0.000 1.215 2709 W CA 1.302 58.748 57.345 0.168 0.000 1.244 2709 W CB -0.946 28.622 29.460 0.180 0.000 1.140 2709 W HN 0.639 nan 8.180 nan 0.000 0.523 2710 H N -0.760 117.640 119.070 -1.116 0.000 2.595 2710 H HA 0.692 5.249 4.556 0.000 0.000 0.346 2710 H C -0.381 174.623 175.328 -0.540 0.000 1.181 2710 H CA -0.279 55.100 56.048 -1.114 0.000 1.242 2710 H CB 2.027 30.698 29.762 -1.818 0.000 1.652 2710 H HN -0.102 nan 8.280 nan 0.000 0.548 2711 S N -0.032 115.344 115.700 -0.541 0.000 6.692 2711 S HA 0.241 4.711 4.470 0.000 0.000 0.114 2711 S C -1.060 173.419 174.600 -0.202 0.000 1.488 2711 S CA -0.107 57.821 58.200 -0.453 0.000 0.918 2711 S CB 0.264 63.258 63.200 -0.342 0.000 1.432 2711 S HN 0.832 nan 8.310 nan 0.000 0.548 2712 R N 1.403 121.836 120.500 -0.111 0.000 2.904 2712 R HA 0.236 4.576 4.340 0.000 0.000 0.288 2712 R C -1.837 174.469 176.300 0.012 0.000 0.841 2712 R CA -0.127 55.965 56.100 -0.013 0.000 0.888 2712 R CB -0.602 29.719 30.300 0.035 0.000 1.448 2712 R HN 0.451 nan 8.270 nan 0.000 0.352 2713 L N 3.524 124.757 121.223 0.016 0.000 2.529 2713 L HA 0.381 4.721 4.340 0.000 0.000 0.287 2713 L C 1.276 178.165 176.870 0.032 0.000 1.241 2713 L CA 1.654 56.503 54.840 0.014 0.000 0.857 2713 L CB 0.284 42.361 42.059 0.031 0.000 1.113 2713 L HN 0.978 nan 8.230 nan 0.000 0.504 2714 G N 1.687 110.479 108.800 -0.014 0.000 2.409 2714 G HA2 -0.139 3.822 3.960 0.000 0.000 0.421 2714 G HA3 -0.139 3.822 3.960 0.000 0.000 0.421 2714 G C -0.832 174.061 174.900 -0.011 0.000 1.259 2714 G CA -0.997 44.087 45.100 -0.026 0.000 1.011 2714 G HN 0.304 nan 8.290 nan 0.000 0.497 2715 F N 0.033 120.010 119.950 0.044 0.000 2.496 2715 F HA 0.591 5.118 4.527 0.000 0.000 0.344 2715 F C 0.816 176.691 175.800 0.124 0.000 1.155 2715 F CA 0.521 58.565 58.000 0.073 0.000 1.302 2715 F CB 0.713 39.732 39.000 0.032 0.000 1.159 2715 F HN 0.489 nan 8.300 nan 0.000 0.595 2716 F N 2.628 122.695 119.950 0.195 0.000 2.470 2716 F HA 0.411 4.938 4.527 0.000 0.000 0.329 2716 F C 1.060 176.906 175.800 0.078 0.000 1.072 2716 F CA -1.073 56.977 58.000 0.083 0.000 0.989 2716 F CB 1.036 40.053 39.000 0.027 0.000 1.193 2716 F HN 0.508 nan 8.300 nan 0.000 0.481 2717 R N 0.855 120.717 120.500 -1.063 0.000 2.171 2717 R HA -0.177 4.163 4.340 0.000 0.000 0.226 2717 R C 0.103 176.084 176.300 -0.533 0.000 1.113 2717 R CA 1.476 57.129 56.100 -0.745 0.000 0.887 2717 R CB -0.901 28.963 30.300 -0.728 0.000 0.830 2717 R HN 0.555 nan 8.270 nan 0.000 0.432 2718 D N 2.516 122.546 120.400 -0.617 0.000 2.383 2718 D HA -0.014 4.626 4.640 0.000 0.000 0.275 2718 D C -1.277 175.048 176.300 0.041 0.000 1.344 2718 D CA -0.837 53.083 54.000 -0.133 0.000 0.984 2718 D CB 0.985 41.824 40.800 0.065 0.000 1.104 2718 D HN 0.222 nan 8.370 nan 0.000 0.524 2719 P HA -0.081 nan 4.420 nan 0.000 0.229 2719 P C 0.561 177.955 177.300 0.157 0.000 1.160 2719 P CA 0.065 63.223 63.100 0.097 0.000 0.777 2719 P CB 0.468 32.185 31.700 0.028 0.000 0.814 2720 R N 2.438 123.030 120.500 0.154 0.000 2.449 2720 R HA 0.202 4.542 4.340 0.000 0.000 0.296 2720 R C -1.895 174.575 176.300 0.283 0.000 1.047 2720 R CA -2.179 54.039 56.100 0.197 0.000 1.018 2720 R CB -0.990 29.416 30.300 0.177 0.000 0.962 2720 R HN 0.180 nan 8.270 nan 0.000 0.428 2721 P HA -0.023 nan 4.420 nan 0.000 0.267 2721 P C -0.685 176.756 177.300 0.236 0.000 1.200 2721 P CA 0.021 63.286 63.100 0.275 0.000 0.772 2721 P CB 0.249 32.088 31.700 0.231 0.000 0.855 2722 F N 1.771 121.773 119.950 0.086 0.000 2.384 2722 F HA 0.553 5.080 4.527 0.000 0.000 0.338 2722 F C -1.914 173.869 175.800 -0.029 0.000 1.103 2722 F CA -3.025 54.994 58.000 0.032 0.000 1.157 2722 F CB -0.780 38.234 39.000 0.023 0.000 1.167 2722 F HN 0.190 nan 8.300 nan 0.000 0.529 2723 P HA 0.436 nan 4.420 nan 0.000 0.330 2723 P C -0.716 176.557 177.300 -0.045 0.000 1.434 2723 P CA 0.328 63.370 63.100 -0.098 0.000 0.873 2723 P CB 0.604 32.268 31.700 -0.060 0.000 2.146 2724 L N -8.085 113.130 121.223 -0.013 0.000 4.077 2724 L HA 0.212 4.552 4.340 0.000 0.000 0.191 2724 L C -3.269 173.596 176.870 -0.009 0.000 1.032 2724 L CA -1.274 53.573 54.840 0.012 0.000 1.006 2724 L CB -2.055 40.020 42.059 0.028 0.000 1.330 2724 L HN 0.230 nan 8.230 nan 0.000 0.361 2725 P HA 0.385 nan 4.420 nan 0.000 0.285 2725 P C 0.601 177.908 177.300 0.011 0.000 1.259 2725 P CA -0.352 62.755 63.100 0.012 0.000 0.794 2725 P CB 1.447 33.162 31.700 0.025 0.000 0.940 2726 L N 2.729 123.958 121.223 0.009 0.000 2.083 2726 L HA -0.208 4.132 4.340 0.000 0.000 0.209 2726 L C 2.842 179.737 176.870 0.042 0.000 1.083 2726 L CA 2.426 57.275 54.840 0.015 0.000 0.752 2726 L CB -1.207 40.855 42.059 0.006 0.000 0.899 2726 L HN 0.473 nan 8.230 nan 0.000 0.433 2727 S N -0.759 114.965 115.700 0.040 0.000 2.413 2727 S HA -0.271 4.199 4.470 0.000 0.000 0.237 2727 S C 1.963 176.619 174.600 0.095 0.000 1.044 2727 S CA 1.708 59.940 58.200 0.054 0.000 1.024 2727 S CB -0.764 62.460 63.200 0.041 0.000 0.829 2727 S HN 0.577 nan 8.310 nan 0.000 0.475 2728 S N 0.845 116.603 115.700 0.097 0.000 2.535 2728 S HA 0.378 4.848 4.470 0.000 0.000 0.214 2728 S C 0.640 175.352 174.600 0.187 0.000 0.980 2728 S CA -0.651 57.639 58.200 0.150 0.000 0.907 2728 S CB -0.620 62.621 63.200 0.068 0.000 0.790 2728 S HN 0.531 nan 8.310 nan 0.000 0.510 2729 L N 1.602 122.910 121.223 0.142 0.000 2.467 2729 L HA 0.308 4.648 4.340 0.000 0.000 0.270 2729 L C 0.593 177.747 176.870 0.473 0.000 1.205 2729 L CA -0.462 54.461 54.840 0.138 0.000 0.828 2729 L CB 0.002 42.103 42.059 0.069 0.000 1.101 2729 L HN 0.130 nan 8.230 nan 0.000 0.479 2730 F N -0.378 119.573 119.950 0.002 0.000 2.873 2730 F HA 0.376 4.903 4.527 0.000 0.000 0.308 2730 F C 1.221 177.024 175.800 0.004 0.000 1.354 2730 F CA -1.014 56.989 58.000 0.005 0.000 1.037 2730 F CB 0.317 39.322 39.000 0.009 0.000 1.860 2730 F HN 0.441 nan 8.300 nan 0.000 0.479 2731 S N -1.788 114.054 115.700 0.237 0.000 2.475 2731 S HA 0.095 4.566 4.470 0.000 0.000 0.270 2731 S C 0.049 174.705 174.600 0.092 0.000 1.026 2731 S CA -0.056 58.216 58.200 0.120 0.000 1.437 2731 S CB -0.339 62.905 63.200 0.073 0.000 1.215 2731 S HN 0.449 nan 8.310 nan 0.000 0.648 2732 D N 1.648 122.113 120.400 0.109 0.000 2.349 2732 D HA 0.445 5.085 4.640 0.000 0.000 0.224 2732 D C 0.831 177.173 176.300 0.070 0.000 1.029 2732 D CA 0.865 54.911 54.000 0.077 0.000 0.879 2732 D CB 0.611 41.456 40.800 0.075 0.000 0.906 2732 D HN 0.474 nan 8.370 nan 0.000 0.528 2733 G N -1.307 107.537 108.800 0.074 0.000 2.377 2733 G HA2 0.514 4.474 3.960 0.000 0.000 0.297 2733 G HA3 0.514 4.474 3.960 0.000 0.000 0.297 2733 G C -0.346 174.569 174.900 0.025 0.000 1.547 2733 G CA -0.240 44.888 45.100 0.045 0.000 0.833 2733 G HN 0.521 nan 8.290 nan 0.000 0.583 2734 G N -0.011 108.793 108.800 0.006 0.000 2.722 2734 G HA2 0.183 4.143 3.960 0.000 0.000 0.686 2734 G HA3 0.183 4.143 3.960 0.000 0.000 0.686 2734 G C -0.607 174.282 174.900 -0.018 0.000 1.282 2734 G CA -0.041 45.049 45.100 -0.017 0.000 0.817 2734 G HN 1.197 nan 8.290 nan 0.000 0.605 2735 N N -1.258 117.423 118.700 -0.033 0.000 2.477 2735 N HA 0.666 5.406 4.740 0.000 0.000 0.284 2735 N C 0.355 175.835 175.510 -0.050 0.000 1.182 2735 N CA -0.485 52.550 53.050 -0.026 0.000 0.949 2735 N CB 1.658 40.130 38.487 -0.024 0.000 1.204 2735 N HN 0.673 nan 8.380 nan 0.000 0.526 2736 V N 0.139 120.027 119.914 -0.044 0.000 2.607 2736 V HA 0.393 4.514 4.120 0.000 0.000 0.289 2736 V C 1.519 177.582 176.094 -0.052 0.000 1.053 2736 V CA -0.357 61.893 62.300 -0.084 0.000 0.996 2736 V CB 1.050 32.821 31.823 -0.087 0.000 0.995 2736 V HN 0.899 nan 8.190 nan 0.000 0.476 2737 G N 1.377 110.109 108.800 -0.113 0.000 2.494 2737 G HA2 0.055 4.015 3.960 0.000 0.000 0.216 2737 G HA3 0.055 4.015 3.960 0.000 0.000 0.216 2737 G C 0.338 175.247 174.900 0.015 0.000 1.140 2737 G CA 1.015 46.142 45.100 0.045 0.000 0.801 2737 G HN 0.838 nan 8.290 nan 0.000 0.536 2738 C N -0.488 118.692 119.300 -0.199 0.000 3.241 2738 C HA 0.613 5.074 4.460 0.000 0.000 0.348 2738 C C -1.529 173.280 174.990 -0.301 0.000 1.180 2738 C CA -0.390 58.401 59.018 -0.378 0.000 1.273 2738 C CB 1.125 28.539 27.740 -0.543 0.000 1.620 2738 C HN 0.795 nan 8.230 nan 0.000 0.510 2739 V N 1.878 121.608 119.914 -0.308 0.000 2.711 2739 V HA 0.588 4.709 4.120 0.000 0.000 0.304 2739 V C -1.084 174.901 176.094 -0.182 0.000 1.097 2739 V CA -0.129 62.056 62.300 -0.192 0.000 0.906 2739 V CB 1.753 33.494 31.823 -0.137 0.000 1.015 2739 V HN 0.912 nan 8.190 nan 0.000 0.427 2740 D N 5.566 125.897 120.400 -0.115 0.000 2.396 2740 D HA 0.490 5.130 4.640 0.000 0.000 0.225 2740 D C -0.181 176.100 176.300 -0.032 0.000 1.121 2740 D CA -0.074 53.875 54.000 -0.085 0.000 0.853 2740 D CB 1.333 42.120 40.800 -0.022 0.000 1.043 2740 D HN 0.794 nan 8.370 nan 0.000 0.500 2741 I N 1.002 121.538 120.570 -0.057 0.000 3.436 2741 I HA 0.663 4.833 4.170 0.000 0.000 0.300 2741 I C -1.198 174.892 176.117 -0.045 0.000 1.131 2741 I CA -1.285 60.002 61.300 -0.022 0.000 1.001 2741 I CB 1.474 39.455 38.000 -0.031 0.000 1.305 2741 I HN 0.197 nan 8.210 nan 0.000 0.494 2742 I N 1.524 122.088 120.570 -0.011 0.000 2.533 2742 I HA 0.424 4.594 4.170 0.000 0.000 0.290 2742 I C -0.885 175.219 176.117 -0.022 0.000 1.056 2742 I CA -0.622 60.655 61.300 -0.039 0.000 1.057 2742 I CB 1.891 39.891 38.000 0.001 0.000 1.240 2742 I HN 0.342 nan 8.210 nan 0.000 0.423 2743 V N 8.573 128.473 119.914 -0.024 0.000 2.359 2743 V HA 0.033 4.153 4.120 0.000 0.000 0.248 2743 V C 1.103 177.159 176.094 -0.063 0.000 1.091 2743 V CA 0.191 62.455 62.300 -0.060 0.000 1.103 2743 V CB -0.044 31.761 31.823 -0.031 0.000 1.176 2743 V HN 0.853 nan 8.190 nan 0.000 0.488 2744 Q N 3.657 123.438 119.800 -0.032 0.000 1.889 2744 Q HA -0.022 4.318 4.340 0.000 0.000 0.211 2744 Q C 1.296 177.270 176.000 -0.044 0.000 0.988 2744 Q CA 1.813 57.640 55.803 0.041 0.000 0.861 2744 Q CB 0.117 28.858 28.738 0.006 0.000 0.922 2744 Q HN 0.526 nan 8.270 nan 0.000 0.425 2745 R N -1.113 119.273 120.500 -0.190 0.000 2.856 2745 R HA 0.647 4.987 4.340 0.000 0.000 0.258 2745 R C -1.270 174.659 176.300 -0.618 0.000 1.066 2745 R CA -0.999 54.873 56.100 -0.380 0.000 1.045 2745 R CB 1.676 31.696 30.300 -0.466 0.000 1.178 2745 R HN 0.101 nan 8.270 nan 0.000 0.499 2746 V N 2.625 122.094 119.914 -0.741 0.000 2.610 2746 V HA 0.365 4.485 4.120 0.000 0.000 0.298 2746 V C -1.283 174.451 176.094 -0.600 0.000 1.067 2746 V CA -0.683 61.184 62.300 -0.721 0.000 0.894 2746 V CB 1.528 33.122 31.823 -0.382 0.000 1.015 2746 V HN 0.602 nan 8.190 nan 0.000 0.432 2747 Y N 6.272 126.534 120.300 -0.063 0.000 2.458 2747 Y HA 0.618 5.168 4.550 0.000 0.000 0.322 2747 Y C -1.848 174.294 175.900 0.404 0.000 1.259 2747 Y CA -2.567 55.635 58.100 0.171 0.000 1.302 2747 Y CB 1.031 39.587 38.460 0.161 0.000 1.314 2747 Y HN 0.396 nan 8.280 nan 0.000 0.509 2748 P HA 0.165 nan 4.420 nan 0.000 0.279 2748 P C -0.836 176.687 177.300 0.372 0.000 1.252 2748 P CA -0.417 62.933 63.100 0.417 0.000 0.811 2748 P CB 1.234 33.108 31.700 0.290 0.000 1.035 2749 L N 1.959 123.278 121.223 0.160 0.000 2.514 2749 L HA 0.002 4.342 4.340 0.000 0.000 0.280 2749 L C 1.094 177.918 176.870 -0.078 0.000 1.223 2749 L CA 0.671 55.471 54.840 -0.065 0.000 0.864 2749 L CB -0.046 41.763 42.059 -0.417 0.000 1.118 2749 L HN 0.296 nan 8.230 nan 0.000 0.494 2750 Q N 2.941 122.661 119.800 -0.134 0.000 2.337 2750 Q HA 0.236 4.576 4.340 0.000 0.000 0.266 2750 Q C -0.963 174.958 176.000 -0.133 0.000 1.023 2750 Q CA -0.220 55.555 55.803 -0.047 0.000 0.829 2750 Q CB 2.193 30.955 28.738 0.040 0.000 1.306 2750 Q HN 0.573 nan 8.270 nan 0.000 0.449 2751 W N 3.363 124.658 121.300 -0.008 0.000 1.928 2751 W HA 0.227 4.888 4.660 0.000 0.000 0.341 2751 W C 0.073 176.557 176.519 -0.058 0.000 0.789 2751 W CA -0.654 56.683 57.345 -0.014 0.000 1.680 2751 W CB 0.689 30.140 29.460 -0.016 0.000 1.882 2751 W HN 0.292 nan 8.180 nan 0.000 0.315 2752 V N 2.489 122.420 119.914 0.028 0.000 3.061 2752 V HA -0.097 4.023 4.120 0.000 0.000 0.306 2752 V C 0.213 176.286 176.094 -0.036 0.000 1.118 2752 V CA 1.172 63.397 62.300 -0.126 0.000 1.231 2752 V CB 1.383 33.151 31.823 -0.091 0.000 0.956 2752 V HN 0.422 nan 8.190 nan 0.000 0.499 2753 E N 3.417 123.556 120.200 -0.102 0.000 2.278 2753 E HA 0.412 4.762 4.350 0.000 0.000 0.272 2753 E C -1.267 175.239 176.600 -0.156 0.000 0.890 2753 E CA -0.806 55.539 56.400 -0.093 0.000 0.770 2753 E CB 1.380 31.040 29.700 -0.066 0.000 1.212 2753 E HN 0.620 nan 8.360 nan 0.000 0.415 2754 K N 2.832 123.094 120.400 -0.229 0.000 2.267 2754 K HA 0.222 4.543 4.320 0.000 0.000 0.282 2754 K C -0.577 175.878 176.600 -0.242 0.000 1.078 2754 K CA -0.426 55.623 56.287 -0.397 0.000 0.903 2754 K CB 0.952 33.158 32.500 -0.490 0.000 1.111 2754 K HN 0.463 nan 8.250 nan 0.000 0.475 2755 T N -0.437 114.004 114.554 -0.189 0.000 2.888 2755 T HA -0.010 4.340 4.350 0.000 0.000 0.301 2755 T C 1.800 176.447 174.700 -0.088 0.000 1.001 2755 T CA -0.866 61.178 62.100 -0.093 0.000 1.147 2755 T CB 0.831 69.678 68.868 -0.036 0.000 0.931 2755 T HN 0.250 nan 8.240 nan 0.000 0.541 2756 V N 2.046 121.930 119.914 -0.051 0.000 2.353 2756 V HA -0.260 3.860 4.120 0.000 0.000 0.260 2756 V C 2.626 178.700 176.094 -0.034 0.000 1.091 2756 V CA 2.338 64.616 62.300 -0.036 0.000 1.088 2756 V CB -1.339 30.481 31.823 -0.004 0.000 0.672 2756 V HN 1.045 nan 8.190 nan 0.000 0.455 2757 S N -1.131 114.556 115.700 -0.022 0.000 2.294 2757 S HA 0.381 4.851 4.470 0.000 0.000 0.203 2757 S C 0.888 175.480 174.600 -0.013 0.000 1.022 2757 S CA 1.023 59.218 58.200 -0.008 0.000 0.955 2757 S CB 0.303 63.509 63.200 0.009 0.000 0.943 2757 S HN 0.785 nan 8.310 nan 0.000 0.472 2758 G N -0.942 107.856 108.800 -0.003 0.000 2.846 2758 G HA2 0.567 4.527 3.960 0.000 0.000 0.299 2758 G HA3 0.567 4.527 3.960 0.000 0.000 0.299 2758 G C -1.377 173.550 174.900 0.045 0.000 1.242 2758 G CA -0.499 44.614 45.100 0.023 0.000 0.800 2758 G HN 0.720 nan 8.290 nan 0.000 0.538 2759 L N -1.167 120.153 121.223 0.161 0.000 0.707 2759 L HA -0.206 4.134 4.340 0.000 0.000 0.358 2759 L C -1.171 175.845 176.870 0.245 0.000 1.005 2759 L CA 0.181 55.167 54.840 0.244 0.000 1.219 2759 L CB -0.594 41.555 42.059 0.149 0.000 0.031 2759 L HN 0.615 nan 8.230 nan 0.000 0.135 2760 Y N 2.110 122.443 120.300 0.056 0.000 2.509 2760 Y HA 0.754 5.304 4.550 0.000 0.000 0.341 2760 Y C 0.224 176.124 175.900 0.001 0.000 1.038 2760 Y CA -0.972 57.125 58.100 -0.006 0.000 1.089 2760 Y CB 1.629 40.076 38.460 -0.021 0.000 1.241 2760 Y HN 0.256 nan 8.280 nan 0.000 0.468 2761 I N 2.337 122.920 120.570 0.022 0.000 2.509 2761 I HA 0.396 4.566 4.170 0.000 0.000 0.293 2761 I C -1.220 174.799 176.117 -0.164 0.000 1.020 2761 I CA -1.004 60.317 61.300 0.036 0.000 1.088 2761 I CB 1.021 39.047 38.000 0.043 0.000 1.267 2761 I HN 0.265 nan 8.210 nan 0.000 0.430 2762 F N 5.214 125.113 119.950 -0.085 0.000 2.443 2762 F HA 0.704 5.231 4.527 0.000 0.000 0.335 2762 F C 0.295 175.899 175.800 -0.327 0.000 1.104 2762 F CA -0.625 57.232 58.000 -0.238 0.000 1.013 2762 F CB 1.258 39.985 39.000 -0.455 0.000 1.136 2762 F HN 0.146 nan 8.300 nan 0.000 0.470 2763 R N 1.097 121.604 120.500 0.012 0.000 2.564 2763 R HA 0.418 4.758 4.340 0.000 0.000 0.284 2763 R C -0.279 176.137 176.300 0.194 0.000 1.031 2763 R CA -0.711 55.458 56.100 0.115 0.000 0.904 2763 R CB 2.333 32.704 30.300 0.117 0.000 1.199 2763 R HN 0.842 nan 8.270 nan 0.000 0.443 2764 S N 0.839 116.671 115.700 0.219 0.000 2.700 2764 S HA -0.110 4.360 4.470 0.000 0.000 0.250 2764 S C 1.166 175.930 174.600 0.273 0.000 1.355 2764 S CA 0.229 58.563 58.200 0.223 0.000 0.970 2764 S CB 0.454 63.758 63.200 0.174 0.000 0.975 2764 S HN 0.826 nan 8.310 nan 0.000 0.563 2765 E N 0.016 120.356 120.200 0.234 0.000 2.057 2765 E HA -0.020 4.330 4.350 0.000 0.000 0.190 2765 E C 2.265 178.789 176.600 -0.126 0.000 0.969 2765 E CA -0.066 56.316 56.400 -0.031 0.000 0.812 2765 E CB -0.157 29.569 29.700 0.042 0.000 0.777 2765 E HN 0.406 nan 8.360 nan 0.000 0.455 2766 R N 1.071 121.561 120.500 -0.015 0.000 2.133 2766 R HA -0.166 4.174 4.340 0.000 0.000 0.247 2766 R C 1.996 178.277 176.300 -0.032 0.000 1.151 2766 R CA 1.712 57.796 56.100 -0.027 0.000 0.971 2766 R CB -0.477 29.835 30.300 0.019 0.000 0.866 2766 R HN 0.464 nan 8.270 nan 0.000 0.447 2767 E N -0.242 119.964 120.200 0.010 0.000 2.107 2767 E HA -0.161 4.189 4.350 0.000 0.000 0.191 2767 E C 1.128 177.719 176.600 -0.015 0.000 0.982 2767 E CA 0.730 57.145 56.400 0.026 0.000 0.809 2767 E CB -0.010 29.747 29.700 0.094 0.000 0.756 2767 E HN 0.176 nan 8.360 nan 0.000 0.459 2768 E N 0.672 120.832 120.200 -0.068 0.000 2.368 2768 E HA -0.054 4.296 4.350 0.000 0.000 0.188 2768 E C 0.974 177.417 176.600 -0.263 0.000 1.061 2768 E CA 0.309 56.624 56.400 -0.141 0.000 0.933 2768 E CB 0.185 29.805 29.700 -0.132 0.000 1.091 2768 E HN 0.015 nan 8.360 nan 0.000 0.458 2769 E N -0.673 119.406 120.200 -0.201 0.000 2.535 2769 E HA 0.073 4.423 4.350 0.000 0.000 0.216 2769 E C 1.110 177.648 176.600 -0.104 0.000 0.845 2769 E CA 0.122 56.404 56.400 -0.198 0.000 1.306 2769 E CB 0.286 29.851 29.700 -0.224 0.000 1.291 2769 E HN 0.243 nan 8.360 nan 0.000 0.635 2770 K N 1.245 121.603 120.400 -0.070 0.000 2.029 2770 K HA -0.099 4.221 4.320 0.000 0.000 0.205 2770 K C 1.888 178.482 176.600 -0.010 0.000 1.042 2770 K CA 1.298 57.567 56.287 -0.030 0.000 0.949 2770 K CB 0.117 32.610 32.500 -0.012 0.000 0.740 2770 K HN -0.184 nan 8.250 nan 0.000 0.442 2771 E N 0.633 120.828 120.200 -0.008 0.000 2.153 2771 E HA -0.111 4.239 4.350 0.000 0.000 0.194 2771 E C 1.466 178.076 176.600 0.016 0.000 0.988 2771 E CA 1.405 57.816 56.400 0.019 0.000 0.811 2771 E CB -0.135 29.573 29.700 0.012 0.000 0.746 2771 E HN 0.430 nan 8.360 nan 0.000 0.466 2772 A N -0.314 122.482 122.820 -0.040 0.000 2.066 2772 A HA 0.007 4.327 4.320 0.000 0.000 0.218 2772 A C 2.053 179.644 177.584 0.012 0.000 1.157 2772 A CA 0.787 52.793 52.037 -0.052 0.000 0.670 2772 A CB -0.235 18.694 19.000 -0.118 0.000 0.804 2772 A HN 0.326 nan 8.150 nan 0.000 0.453 2773 L N -1.209 120.022 121.223 0.012 0.000 2.253 2773 L HA 0.002 4.342 4.340 0.000 0.000 0.205 2773 L C 2.551 179.456 176.870 0.058 0.000 1.078 2773 L CA 0.991 55.846 54.840 0.026 0.000 0.805 2773 L CB -0.267 41.790 42.059 -0.003 0.000 0.963 2773 L HN 0.471 nan 8.230 nan 0.000 0.459 2774 R N 0.347 120.884 120.500 0.061 0.000 2.193 2774 R HA -0.199 4.141 4.340 0.000 0.000 0.229 2774 R C 1.794 178.160 176.300 0.110 0.000 1.110 2774 R CA 1.553 57.693 56.100 0.066 0.000 0.988 2774 R CB -0.656 29.678 30.300 0.057 0.000 0.871 2774 R HN 0.340 nan 8.270 nan 0.000 0.458 2775 F N 0.098 120.036 119.950 -0.019 0.000 2.293 2775 F HA 0.328 4.855 4.527 0.000 0.000 0.272 2775 F C 2.024 177.813 175.800 -0.018 0.000 1.053 2775 F CA 0.715 58.706 58.000 -0.016 0.000 1.152 2775 F CB -0.567 38.423 39.000 -0.017 0.000 1.119 2775 F HN 0.057 nan 8.300 nan 0.000 0.564 2776 A N 0.072 123.226 122.820 0.557 0.000 2.298 2776 A HA -0.190 4.130 4.320 0.000 0.000 0.215 2776 A C 1.716 179.345 177.584 0.076 0.000 1.193 2776 A CA 1.951 54.173 52.037 0.309 0.000 0.697 2776 A CB -0.975 18.153 19.000 0.214 0.000 0.774 2776 A HN 0.723 nan 8.150 nan 0.000 0.492 2777 E N -0.907 119.310 120.200 0.028 0.000 2.075 2777 E HA 0.218 4.568 4.350 0.000 0.000 0.193 2777 E C 2.477 179.036 176.600 -0.067 0.000 0.950 2777 E CA 0.432 56.822 56.400 -0.016 0.000 0.859 2777 E CB -0.258 29.439 29.700 -0.005 0.000 0.846 2777 E HN 0.466 nan 8.360 nan 0.000 0.467 2778 A N 1.750 124.513 122.820 -0.095 0.000 1.863 2778 A HA -0.248 4.073 4.320 0.000 0.000 0.218 2778 A C 1.619 179.090 177.584 -0.188 0.000 1.233 2778 A CA 1.536 53.492 52.037 -0.134 0.000 0.655 2778 A CB -0.787 18.119 19.000 -0.158 0.000 0.839 2778 A HN 0.226 nan 8.150 nan 0.000 0.454 2779 Q N -0.454 119.140 119.800 -0.344 0.000 2.903 2779 Q HA 0.093 4.433 4.340 0.000 0.000 0.295 2779 Q C -0.076 175.807 176.000 -0.195 0.000 1.157 2779 Q CA 0.127 55.715 55.803 -0.357 0.000 0.930 2779 Q CB 0.146 28.444 28.738 -0.733 0.000 1.571 2779 Q HN 0.594 nan 8.270 nan 0.000 0.440 2780 Q N -1.415 118.314 119.800 -0.120 0.000 1.907 2780 Q HA 0.118 4.458 4.340 0.000 0.000 0.195 2780 Q C 0.734 176.695 176.000 -0.065 0.000 0.742 2780 Q CA 0.165 55.925 55.803 -0.072 0.000 0.877 2780 Q CB 0.734 29.443 28.738 -0.049 0.000 1.216 2780 Q HN 0.232 nan 8.270 nan 0.000 0.417 2781 K N 0.465 120.825 120.400 -0.068 0.000 2.190 2781 K HA 0.057 4.377 4.320 0.000 0.000 0.202 2781 K C 1.541 178.120 176.600 -0.035 0.000 1.045 2781 K CA 0.499 56.757 56.287 -0.048 0.000 0.976 2781 K CB 0.451 32.923 32.500 -0.047 0.000 0.849 2781 K HN -0.174 nan 8.250 nan 0.000 0.468 2782 K N 1.416 121.786 120.400 -0.050 0.000 2.074 2782 K HA -0.138 4.183 4.320 0.000 0.000 0.209 2782 K C 1.803 178.409 176.600 0.010 0.000 1.048 2782 K CA 1.040 57.310 56.287 -0.029 0.000 0.926 2782 K CB -0.382 32.083 32.500 -0.060 0.000 0.713 2782 K HN -0.020 nan 8.250 nan 0.000 0.444 2783 L N 1.024 122.242 121.223 -0.009 0.000 2.353 2783 L HA -0.187 4.153 4.340 0.000 0.000 0.220 2783 L C 1.891 178.769 176.870 0.014 0.000 1.133 2783 L CA 1.507 56.354 54.840 0.013 0.000 0.798 2783 L CB -0.196 41.838 42.059 -0.041 0.000 0.922 2783 L HN 0.397 nan 8.230 nan 0.000 0.445 2784 E N -2.523 117.679 120.200 0.003 0.000 2.330 2784 E HA 0.108 4.458 4.350 0.000 0.000 0.200 2784 E C 2.012 178.682 176.600 0.117 0.000 0.922 2784 E CA 0.605 57.002 56.400 -0.004 0.000 0.935 2784 E CB -0.450 29.215 29.700 -0.059 0.000 0.917 2784 E HN 0.174 nan 8.360 nan 0.000 0.491 2785 A N 1.724 124.591 122.820 0.078 0.000 2.076 2785 A HA -0.065 4.255 4.320 0.000 0.000 0.220 2785 A C 2.190 179.831 177.584 0.094 0.000 1.160 2785 A CA 0.888 52.967 52.037 0.069 0.000 0.653 2785 A CB -0.706 18.312 19.000 0.030 0.000 0.801 2785 A HN 0.305 nan 8.150 nan 0.000 0.455 2786 L N -2.244 119.075 121.223 0.160 0.000 2.141 2786 L HA -0.111 4.229 4.340 0.000 0.000 0.209 2786 L C 1.974 178.821 176.870 -0.039 0.000 1.094 2786 L CA 1.081 55.962 54.840 0.068 0.000 0.763 2786 L CB -0.299 41.818 42.059 0.097 0.000 0.908 2786 L HN 0.450 nan 8.230 nan 0.000 0.437 2787 F N -1.496 118.418 119.950 -0.060 0.000 2.582 2787 F HA 0.025 4.552 4.527 0.000 0.000 0.290 2787 F C 2.496 178.274 175.800 -0.036 0.000 1.115 2787 F CA 0.463 58.415 58.000 -0.080 0.000 1.445 2787 F CB -0.983 37.939 39.000 -0.129 0.000 1.126 2787 F HN -0.117 nan 8.300 nan 0.000 0.574 2788 T N 0.011 114.669 114.554 0.174 0.000 2.833 2788 T HA -0.160 4.190 4.350 0.000 0.000 0.269 2788 T C 1.862 176.635 174.700 0.120 0.000 1.054 2788 T CA 1.237 63.415 62.100 0.130 0.000 1.135 2788 T CB -0.189 68.730 68.868 0.085 0.000 0.869 2788 T HN 0.194 nan 8.240 nan 0.000 0.466 2789 K N 0.497 120.943 120.400 0.076 0.000 2.366 2789 K HA 0.109 4.429 4.320 0.000 0.000 0.198 2789 K C 1.523 178.144 176.600 0.035 0.000 1.044 2789 K CA 0.433 56.746 56.287 0.043 0.000 0.973 2789 K CB 0.216 32.726 32.500 0.017 0.000 0.767 2789 K HN 0.184 nan 8.250 nan 0.000 0.475 2790 V N -0.096 119.831 119.914 0.022 0.000 3.578 2790 V HA -0.038 4.082 4.120 0.000 0.000 0.290 2790 V C 1.441 177.573 176.094 0.063 0.000 1.376 2790 V CA 0.555 62.862 62.300 0.012 0.000 1.083 2790 V CB 0.019 31.781 31.823 -0.102 0.000 0.911 2790 V HN 0.282 nan 8.190 nan 0.000 0.433 2791 H N 1.835 120.890 119.070 -0.025 0.000 2.415 2791 H HA -0.022 4.534 4.556 0.000 0.000 0.297 2791 H C 1.785 177.142 175.328 0.048 0.000 1.048 2791 H CA 1.627 57.656 56.048 -0.030 0.000 1.365 2791 H CB -0.090 29.666 29.762 -0.010 0.000 1.421 2791 H HN 0.469 nan 8.280 nan 0.000 0.533 2792 T N -0.778 113.777 114.554 0.001 0.000 4.104 2792 T HA 0.166 4.516 4.350 0.000 0.000 0.285 2792 T C 0.401 175.132 174.700 0.052 0.000 1.346 2792 T CA -0.148 61.929 62.100 -0.039 0.000 1.158 2792 T CB -0.236 68.626 68.868 -0.010 0.000 1.290 2792 T HN 0.547 nan 8.240 nan 0.000 0.975 2793 E N 1.356 121.638 120.200 0.136 0.000 2.820 2793 E HA 0.113 4.463 4.350 0.000 0.000 0.136 2793 E C -1.496 175.378 176.600 0.456 0.000 0.859 2793 E CA -0.344 56.197 56.400 0.234 0.000 1.416 2793 E CB 0.499 30.352 29.700 0.257 0.000 0.963 2793 E HN 0.532 nan 8.360 nan 0.000 0.427 2794 F N 1.097 121.034 119.950 -0.022 0.000 2.745 2794 F HA 0.418 4.946 4.527 0.000 0.000 0.343 2794 F C 0.528 176.312 175.800 -0.026 0.000 1.196 2794 F CA 0.559 58.559 58.000 -0.000 0.000 1.021 2794 F CB 1.357 40.388 39.000 0.052 0.000 1.297 2794 F HN 0.140 nan 8.300 nan 0.000 0.486 2809 R N 0.542 121.052 120.500 0.017 0.000 2.545 2809 R HA 0.959 5.299 4.340 0.000 0.000 0.289 2809 R C 0.681 176.994 176.300 0.021 0.000 1.327 2809 R CA 0.840 56.950 56.100 0.015 0.000 1.040 2809 R CB -0.461 29.846 30.300 0.012 0.000 1.176 2809 R HN 2.796 nan 8.270 nan 0.000 0.518 2810 T N 0.533 115.098 114.554 0.018 0.000 0.545 2810 T HA -0.096 4.254 4.350 0.000 0.000 0.773 2810 T C 0.760 175.478 174.700 0.030 0.000 0.992 2810 T CA 0.991 63.103 62.100 0.020 0.000 4.074 2810 T CB -0.201 68.677 68.868 0.018 0.000 2.301 2810 T HN 1.517 nan 8.240 nan 0.000 0.398 2811 L N 4.015 125.253 121.223 0.025 0.000 2.762 2811 L HA 0.230 4.570 4.340 0.000 0.000 0.250 2811 L C 2.002 178.894 176.870 0.037 0.000 1.160 2811 L CA 2.036 56.894 54.840 0.031 0.000 0.951 2811 L CB -0.277 41.791 42.059 0.014 0.000 1.148 2811 L HN 0.882 nan 8.230 nan 0.000 0.424 2812 T N -2.609 111.969 114.554 0.039 0.000 2.999 2812 T HA 0.043 4.393 4.350 0.000 0.000 0.247 2812 T C 1.775 176.509 174.700 0.057 0.000 1.012 2812 T CA 0.470 62.596 62.100 0.043 0.000 1.048 2812 T CB 0.240 69.126 68.868 0.030 0.000 1.020 2812 T HN 0.278 nan 8.240 nan 0.000 0.478 2813 R N 1.703 122.238 120.500 0.057 0.000 2.161 2813 R HA 0.183 4.523 4.340 0.000 0.000 0.213 2813 R C 2.014 178.378 176.300 0.105 0.000 1.055 2813 R CA 1.260 57.399 56.100 0.065 0.000 0.996 2813 R CB -0.333 29.995 30.300 0.047 0.000 0.901 2813 R HN 0.305 nan 8.270 nan 0.000 0.456 2814 Q N 0.267 120.132 119.800 0.108 0.000 2.049 2814 Q HA -0.205 4.135 4.340 0.000 0.000 0.198 2814 Q C 2.017 178.088 176.000 0.118 0.000 0.971 2814 Q CA 1.791 57.685 55.803 0.151 0.000 0.833 2814 Q CB -0.078 28.728 28.738 0.113 0.000 0.896 2814 Q HN 0.565 nan 8.270 nan 0.000 0.434 2815 Q N 0.234 120.095 119.800 0.100 0.000 2.226 2815 Q HA -0.101 4.240 4.340 0.000 0.000 0.204 2815 Q C 1.640 177.719 176.000 0.131 0.000 0.975 2815 Q CA 1.480 57.360 55.803 0.129 0.000 0.866 2815 Q CB -0.203 28.609 28.738 0.122 0.000 0.915 2815 Q HN 0.118 nan 8.270 nan 0.000 0.440 2816 V N 0.658 120.634 119.914 0.103 0.000 2.488 2816 V HA -0.184 3.936 4.120 0.000 0.000 0.246 2816 V C 2.309 178.440 176.094 0.061 0.000 1.046 2816 V CA 1.852 64.200 62.300 0.079 0.000 1.053 2816 V CB -0.612 31.256 31.823 0.075 0.000 0.679 2816 V HN 0.696 nan 8.190 nan 0.000 0.458 2817 H N 1.353 120.434 119.070 0.018 0.000 2.294 2817 H HA 0.133 4.689 4.556 0.000 0.000 0.306 2817 H C 1.617 176.939 175.328 -0.010 0.000 1.065 2817 H CA 1.567 57.615 56.048 0.000 0.000 1.343 2817 H CB -0.529 29.237 29.762 0.006 0.000 1.396 2817 H HN 0.281 nan 8.280 nan 0.000 0.506 2818 A N 0.413 122.774 122.820 -0.766 0.000 2.711 2818 A HA 0.266 4.586 4.320 0.000 0.000 0.242 2818 A C 1.145 178.557 177.584 -0.286 0.000 1.607 2818 A CA 0.571 52.226 52.037 -0.636 0.000 1.370 2818 A CB -1.115 17.679 19.000 -0.344 0.000 0.934 2818 A HN 0.569 nan 8.150 nan 0.000 0.628 2819 L N -2.188 118.867 121.223 -0.281 0.000 2.966 2819 L HA 0.169 4.510 4.340 0.000 0.000 0.262 2819 L C 1.885 178.600 176.870 -0.259 0.000 1.068 2819 L CA 1.076 55.725 54.840 -0.318 0.000 1.004 2819 L CB -0.512 41.406 42.059 -0.235 0.000 1.629 2819 L HN 0.470 nan 8.230 nan 0.000 0.542 2820 Q N 0.164 119.863 119.800 -0.168 0.000 1.891 2820 Q HA -0.171 4.169 4.340 0.000 0.000 0.214 2820 Q C 0.075 175.999 176.000 -0.127 0.000 0.995 2820 Q CA 1.734 57.471 55.803 -0.110 0.000 0.866 2820 Q CB -0.463 28.253 28.738 -0.038 0.000 0.931 2820 Q HN 0.441 nan 8.270 nan 0.000 0.422 2821 D N -0.269 120.059 120.400 -0.121 0.000 2.401 2821 D HA 0.007 4.647 4.640 0.000 0.000 0.254 2821 D C 0.858 177.041 176.300 -0.195 0.000 1.192 2821 D CA 0.503 54.421 54.000 -0.136 0.000 0.885 2821 D CB 1.133 41.866 40.800 -0.111 0.000 1.147 2821 D HN 0.299 nan 8.370 nan 0.000 0.478 2822 G N 3.108 111.783 108.800 -0.208 0.000 2.443 2822 G HA2 -0.127 3.833 3.960 0.000 0.000 0.219 2822 G HA3 -0.127 3.833 3.960 0.000 0.000 0.219 2822 G C 1.421 176.032 174.900 -0.482 0.000 1.131 2822 G CA 0.691 45.650 45.100 -0.235 0.000 0.775 2822 G HN 0.645 nan 8.290 nan 0.000 0.547 2823 A N 1.742 124.121 122.820 -0.734 0.000 1.908 2823 A HA -0.088 4.232 4.320 0.000 0.000 0.218 2823 A C 2.199 179.513 177.584 -0.450 0.000 1.181 2823 A CA 1.970 53.346 52.037 -1.101 0.000 0.627 2823 A CB -0.381 18.240 19.000 -0.631 0.000 0.818 2823 A HN 0.605 nan 8.150 nan 0.000 0.445 2824 E N -0.640 119.408 120.200 -0.252 0.000 2.442 2824 E HA 0.127 4.477 4.350 0.000 0.000 0.195 2824 E C 1.753 178.303 176.600 -0.083 0.000 1.030 2824 E CA 0.136 56.465 56.400 -0.118 0.000 0.869 2824 E CB -0.223 29.412 29.700 -0.108 0.000 0.857 2824 E HN 0.553 nan 8.360 nan 0.000 0.505 2825 L N 0.154 121.309 121.223 -0.114 0.000 2.072 2825 L HA -0.103 4.237 4.340 0.000 0.000 0.205 2825 L C 2.419 179.338 176.870 0.083 0.000 1.079 2825 L CA 1.063 55.867 54.840 -0.060 0.000 0.752 2825 L CB -0.268 41.704 42.059 -0.145 0.000 0.906 2825 L HN 0.170 nan 8.230 nan 0.000 0.436 2826 Y N 0.436 120.724 120.300 -0.020 0.000 2.089 2826 Y HA -0.297 4.254 4.550 0.000 0.000 0.282 2826 Y C 2.496 178.446 175.900 0.085 0.000 1.139 2826 Y CA 1.469 59.622 58.100 0.089 0.000 1.123 2826 Y CB -0.588 37.994 38.460 0.203 0.000 0.980 2826 Y HN 0.153 nan 8.280 nan 0.000 0.493 2827 A N 0.925 123.865 122.820 0.200 0.000 1.909 2827 A HA -0.341 3.979 4.320 0.000 0.000 0.221 2827 A C 2.334 179.954 177.584 0.059 0.000 1.223 2827 A CA 2.773 54.878 52.037 0.114 0.000 0.658 2827 A CB -1.792 17.264 19.000 0.094 0.000 0.831 2827 A HN 0.714 nan 8.150 nan 0.000 0.462 2828 A N -1.432 121.423 122.820 0.058 0.000 2.259 2828 A HA 0.219 4.539 4.320 0.000 0.000 0.212 2828 A C 1.728 179.339 177.584 0.046 0.000 1.178 2828 A CA 1.597 53.675 52.037 0.068 0.000 0.734 2828 A CB -0.406 18.634 19.000 0.067 0.000 0.774 2828 A HN 0.550 nan 8.150 nan 0.000 0.481 2829 V N -1.684 118.222 119.914 -0.014 0.000 3.570 2829 V HA -0.018 4.102 4.120 0.000 0.000 0.257 2829 V C 2.204 178.223 176.094 -0.125 0.000 1.272 2829 V CA 0.610 62.876 62.300 -0.056 0.000 1.079 2829 V CB 0.018 31.812 31.823 -0.049 0.000 0.829 2829 V HN 0.413 nan 8.190 nan 0.000 0.454 2830 Q N -0.214 119.478 119.800 -0.180 0.000 2.036 2830 Q HA -0.003 4.338 4.340 0.000 0.000 0.195 2830 Q C 1.709 177.708 176.000 -0.003 0.000 0.971 2830 Q CA 1.231 56.943 55.803 -0.151 0.000 0.826 2830 Q CB -0.318 28.284 28.738 -0.226 0.000 0.896 2830 Q HN 0.671 nan 8.270 nan 0.000 0.449 2831 Y N 1.760 122.018 120.300 -0.070 0.000 2.550 2831 Y HA 0.324 4.874 4.550 0.000 0.000 0.351 2831 Y C -0.413 175.465 175.900 -0.036 0.000 1.160 2831 Y CA -0.735 57.343 58.100 -0.036 0.000 1.337 2831 Y CB -0.585 37.866 38.460 -0.015 0.000 1.196 2831 Y HN -0.044 nan 8.280 nan 0.000 0.498 2832 A N -0.209 122.548 122.820 -0.106 0.000 2.276 2832 A HA 0.369 4.689 4.320 0.000 0.000 0.300 2832 A C 1.342 178.822 177.584 -0.173 0.000 1.235 2832 A CA 0.079 52.038 52.037 -0.131 0.000 0.867 2832 A CB 0.355 19.309 19.000 -0.076 0.000 1.137 2832 A HN 0.517 nan 8.150 nan 0.000 0.527 2833 S N 1.401 116.982 115.700 -0.198 0.000 2.380 2833 S HA -0.141 4.329 4.470 0.000 0.000 0.229 2833 S C 0.711 175.225 174.600 -0.143 0.000 1.043 2833 S CA 1.845 59.937 58.200 -0.180 0.000 1.038 2833 S CB -0.102 63.006 63.200 -0.153 0.000 0.872 2833 S HN 0.854 nan 8.310 nan 0.000 0.456 2834 D N 0.608 120.934 120.400 -0.124 0.000 2.593 2834 D HA 0.315 4.955 4.640 0.000 0.000 0.251 2834 D C -2.081 174.184 176.300 -0.058 0.000 1.140 2834 D CA -2.209 51.717 54.000 -0.123 0.000 0.855 2834 D CB 1.919 42.631 40.800 -0.148 0.000 1.267 2834 D HN -0.020 nan 8.370 nan 0.000 0.532 2835 P HA -0.069 nan 4.420 nan 0.000 0.286 2835 P C 0.585 177.932 177.300 0.078 0.000 1.394 2835 P CA 0.131 63.258 63.100 0.045 0.000 0.763 2835 P CB 0.385 32.128 31.700 0.072 0.000 1.632 2836 D N -2.250 118.189 120.400 0.065 0.000 2.429 2836 D HA -0.172 4.469 4.640 0.000 0.000 0.230 2836 D C 1.210 177.428 176.300 -0.137 0.000 1.005 2836 D CA 0.808 54.775 54.000 -0.054 0.000 0.963 2836 D CB -0.615 40.127 40.800 -0.097 0.000 0.872 2836 D HN 0.299 nan 8.370 nan 0.000 0.524 2837 H N -1.371 117.634 119.070 -0.107 0.000 2.563 2837 H HA 0.231 4.787 4.556 0.000 0.000 0.264 2837 H C 1.678 176.909 175.328 -0.162 0.000 0.957 2837 H CA 0.286 56.267 56.048 -0.112 0.000 1.173 2837 H CB 0.400 30.110 29.762 -0.087 0.000 1.420 2837 H HN 0.192 nan 8.280 nan 0.000 0.551 2838 L N 0.650 121.813 121.223 -0.101 0.000 2.286 2838 L HA 0.023 4.364 4.340 0.000 0.000 0.203 2838 L C 1.795 178.317 176.870 -0.580 0.000 1.068 2838 L CA 0.599 55.284 54.840 -0.260 0.000 0.811 2838 L CB 0.027 41.963 42.059 -0.205 0.000 0.989 2838 L HN 0.293 nan 8.230 nan 0.000 0.467 2839 E N 0.222 120.116 120.200 -0.511 0.000 2.515 2839 E HA -0.122 4.228 4.350 0.000 0.000 0.201 2839 E C 1.231 177.578 176.600 -0.421 0.000 1.071 2839 E CA 0.742 56.742 56.400 -0.667 0.000 0.880 2839 E CB -0.053 29.584 29.700 -0.105 0.000 0.828 2839 E HN 0.470 nan 8.360 nan 0.000 0.540 2840 A N 0.087 122.713 122.820 -0.323 0.000 2.387 2840 A HA 0.182 4.502 4.320 0.000 0.000 0.234 2840 A C 1.502 178.980 177.584 -0.177 0.000 1.253 2840 A CA -0.334 51.595 52.037 -0.180 0.000 0.894 2840 A CB -0.125 18.787 19.000 -0.146 0.000 0.963 2840 A HN 0.415 nan 8.150 nan 0.000 0.508 2841 C N 0.038 119.147 119.300 -0.319 0.000 3.038 2841 C HA 0.493 4.953 4.460 0.000 0.000 0.279 2841 C C -0.616 174.335 174.990 -0.066 0.000 1.276 2841 C CA -0.252 58.647 59.018 -0.198 0.000 1.697 2841 C CB -1.781 25.835 27.740 -0.206 0.000 2.032 2841 C HN 0.571 nan 8.230 nan 0.000 0.636 2842 F N -0.974 118.973 119.950 -0.004 0.000 2.730 2842 F HA 0.499 5.026 4.527 0.000 0.000 0.335 2842 F C -0.105 175.693 175.800 -0.003 0.000 1.212 2842 F CA -1.349 56.648 58.000 -0.004 0.000 1.016 2842 F CB 0.136 39.132 39.000 -0.007 0.000 1.290 2842 F HN -0.277 nan 8.300 nan 0.000 0.495 2843 S N 1.657 117.487 115.700 0.216 0.000 2.741 2843 S HA 0.202 4.672 4.470 0.000 0.000 0.247 2843 S C 0.397 175.047 174.600 0.085 0.000 1.050 2843 S CA -0.207 58.073 58.200 0.134 0.000 1.025 2843 S CB -0.310 62.935 63.200 0.075 0.000 0.897 2843 S HN 0.772 nan 8.310 nan 0.000 0.508 2844 E N 1.960 122.204 120.200 0.074 0.000 3.361 2844 E HA 0.185 4.535 4.350 0.000 0.000 0.379 2844 E C 1.232 177.833 176.600 0.002 0.000 0.442 2844 E CA 0.023 56.440 56.400 0.028 0.000 2.366 2844 E CB -0.764 28.947 29.700 0.018 0.000 2.164 2844 E HN 0.476 nan 8.360 nan 0.000 0.446 2845 E N -0.009 120.179 120.200 -0.020 0.000 2.170 2845 E HA -0.102 4.248 4.350 0.000 0.000 0.191 2845 E C 1.574 178.135 176.600 -0.065 0.000 0.981 2845 E CA 0.580 56.961 56.400 -0.031 0.000 0.830 2845 E CB -0.282 29.400 29.700 -0.030 0.000 0.775 2845 E HN 0.346 nan 8.360 nan 0.000 0.470 2846 Q N 0.369 120.102 119.800 -0.111 0.000 2.291 2846 Q HA 0.148 4.488 4.340 0.000 0.000 0.211 2846 Q C 0.790 176.594 176.000 -0.326 0.000 0.925 2846 Q CA 0.026 55.696 55.803 -0.221 0.000 0.949 2846 Q CB 0.331 28.907 28.738 -0.271 0.000 1.015 2846 Q HN 0.264 nan 8.270 nan 0.000 0.477 2847 L N -1.678 119.460 121.223 -0.141 0.000 3.086 2847 L HA 0.264 4.605 4.340 0.000 0.000 0.274 2847 L C 0.687 177.561 176.870 0.008 0.000 1.184 2847 L CA 0.452 55.274 54.840 -0.030 0.000 1.002 2847 L CB 0.616 42.741 42.059 0.109 0.000 1.383 2847 L HN -0.121 nan 8.230 nan 0.000 0.582 2848 R N -0.948 119.539 120.500 -0.021 0.000 2.565 2848 R HA 0.454 4.795 4.340 0.000 0.000 0.347 2848 R C 1.248 177.544 176.300 -0.008 0.000 1.010 2848 R CA 0.659 56.759 56.100 -0.000 0.000 1.126 2848 R CB 0.776 31.075 30.300 -0.002 0.000 1.331 2848 R HN 0.320 nan 8.270 nan 0.000 0.552 2849 A N 0.495 123.293 122.820 -0.036 0.000 2.055 2849 A HA 0.084 4.405 4.320 0.000 0.000 0.205 2849 A C 1.726 179.315 177.584 0.009 0.000 1.235 2849 A CA 0.038 52.054 52.037 -0.034 0.000 0.822 2849 A CB 0.077 19.022 19.000 -0.092 0.000 0.903 2849 A HN 0.238 nan 8.150 nan 0.000 0.473 2850 L N -0.307 120.919 121.223 0.006 0.000 2.068 2850 L HA 0.043 4.383 4.340 0.000 0.000 0.204 2850 L C 1.267 178.227 176.870 0.150 0.000 1.076 2850 L CA 1.316 56.219 54.840 0.104 0.000 0.753 2850 L CB -0.246 41.878 42.059 0.109 0.000 0.910 2850 L HN 0.234 nan 8.230 nan 0.000 0.439 2851 N N 0.423 119.183 118.700 0.100 0.000 2.575 2851 N HA -0.092 4.649 4.740 0.000 0.000 0.192 2851 N C 0.745 176.290 175.510 0.058 0.000 1.200 2851 N CA 0.441 53.542 53.050 0.085 0.000 0.897 2851 N CB -0.238 38.288 38.487 0.065 0.000 0.990 2851 N HN 0.508 nan 8.380 nan 0.000 0.449 2852 N N -1.082 117.660 118.700 0.070 0.000 2.210 2852 N HA -0.012 4.729 4.740 0.000 0.000 0.203 2852 N C 0.368 175.927 175.510 0.082 0.000 1.175 2852 N CA 0.006 53.086 53.050 0.050 0.000 0.894 2852 N CB 0.617 39.128 38.487 0.040 0.000 1.041 2852 N HN 0.200 nan 8.380 nan 0.000 0.506 2853 Y N 1.307 121.581 120.300 -0.044 0.000 2.458 2853 Y HA 0.296 4.846 4.550 0.000 0.000 0.256 2853 Y C 2.144 177.951 175.900 -0.156 0.000 1.159 2853 Y CA 0.155 58.203 58.100 -0.087 0.000 1.261 2853 Y CB 0.193 38.610 38.460 -0.071 0.000 1.119 2853 Y HN -0.138 nan 8.280 nan 0.000 0.524 2854 R N -0.161 120.336 120.500 -0.006 0.000 2.041 2854 R HA -0.089 4.252 4.340 0.000 0.000 0.221 2854 R C 1.970 178.190 176.300 -0.134 0.000 1.196 2854 R CA 1.295 57.354 56.100 -0.068 0.000 0.969 2854 R CB -0.276 30.081 30.300 0.095 0.000 0.858 2854 R HN 0.205 nan 8.270 nan 0.000 0.444 2855 Q N 0.651 120.410 119.800 -0.068 0.000 2.508 2855 Q HA -0.120 4.220 4.340 0.000 0.000 0.214 2855 Q C 1.605 177.532 176.000 -0.122 0.000 0.979 2855 Q CA 1.363 57.118 55.803 -0.079 0.000 0.911 2855 Q CB 0.021 28.735 28.738 -0.039 0.000 0.969 2855 Q HN 0.452 nan 8.270 nan 0.000 0.504 2856 M N -2.975 116.516 119.600 -0.181 0.000 2.510 2856 M HA 0.151 4.631 4.480 0.000 0.000 0.256 2856 M C 0.852 176.984 176.300 -0.281 0.000 1.132 2856 M CA 1.225 56.403 55.300 -0.202 0.000 1.105 2856 M CB -0.002 32.477 32.600 -0.202 0.000 1.375 2856 M HN 0.150 nan 8.290 nan 0.000 0.477 2857 L N 0.165 121.167 121.223 -0.368 0.000 2.131 2857 L HA -0.055 4.285 4.340 0.000 0.000 0.206 2857 L C 1.900 178.630 176.870 -0.232 0.000 1.087 2857 L CA 1.017 55.629 54.840 -0.379 0.000 0.767 2857 L CB -0.656 41.107 42.059 -0.493 0.000 0.917 2857 L HN 0.380 nan 8.230 nan 0.000 0.441 2858 N N 0.624 119.216 118.700 -0.180 0.000 2.039 2858 N HA -0.167 4.573 4.740 0.000 0.000 0.193 2858 N C 0.559 175.999 175.510 -0.117 0.000 1.044 2858 N CA 1.232 54.206 53.050 -0.127 0.000 0.847 2858 N CB -0.190 38.242 38.487 -0.092 0.000 1.030 2858 N HN 0.143 nan 8.380 nan 0.000 0.422 2859 D N -0.394 119.940 120.400 -0.110 0.000 2.813 2859 D HA -0.002 4.638 4.640 0.000 0.000 0.248 2859 D C 0.967 177.205 176.300 -0.103 0.000 1.254 2859 D CA 0.527 54.471 54.000 -0.094 0.000 0.921 2859 D CB 0.184 40.938 40.800 -0.078 0.000 1.118 2859 D HN 0.135 nan 8.370 nan 0.000 0.450 2860 K N -0.396 119.934 120.400 -0.117 0.000 2.665 2860 K HA 0.148 4.468 4.320 0.000 0.000 0.197 2860 K C 1.450 177.990 176.600 -0.100 0.000 1.463 2860 K CA 0.130 56.348 56.287 -0.115 0.000 1.107 2860 K CB 0.300 32.708 32.500 -0.154 0.000 1.584 2860 K HN -0.135 nan 8.250 nan 0.000 0.558 2861 K N 0.868 121.200 120.400 -0.113 0.000 1.984 2861 K HA -0.180 4.140 4.320 0.000 0.000 0.219 2861 K C 1.731 178.274 176.600 -0.096 0.000 1.033 2861 K CA 1.831 58.051 56.287 -0.110 0.000 0.983 2861 K CB -0.308 32.113 32.500 -0.132 0.000 0.762 2861 K HN 0.082 nan 8.250 nan 0.000 0.445 2862 Q N 0.289 120.029 119.800 -0.099 0.000 2.407 2862 Q HA -0.282 4.058 4.340 0.000 0.000 0.217 2862 Q C 1.349 177.295 176.000 -0.089 0.000 1.000 2862 Q CA 2.278 58.026 55.803 -0.093 0.000 0.940 2862 Q CB -0.303 28.387 28.738 -0.080 0.000 0.930 2862 Q HN 0.480 nan 8.270 nan 0.000 0.433 2863 A N -0.458 122.316 122.820 -0.078 0.000 1.855 2863 A HA -0.056 4.265 4.320 0.000 0.000 0.213 2863 A C 2.050 179.600 177.584 -0.057 0.000 1.195 2863 A CA 1.168 53.166 52.037 -0.064 0.000 0.610 2863 A CB -0.449 18.517 19.000 -0.058 0.000 0.837 2863 A HN 0.276 nan 8.150 nan 0.000 0.444 2864 R N 0.410 120.881 120.500 -0.049 0.000 2.082 2864 R HA -0.081 4.259 4.340 0.000 0.000 0.234 2864 R C 1.844 178.134 176.300 -0.016 0.000 1.136 2864 R CA 1.635 57.722 56.100 -0.020 0.000 0.935 2864 R CB -1.115 29.180 30.300 -0.008 0.000 0.842 2864 R HN 0.632 nan 8.270 nan 0.000 0.430 2865 I N 0.643 121.189 120.570 -0.039 0.000 2.082 2865 I HA -0.462 3.708 4.170 0.000 0.000 0.221 2865 I C 2.367 178.305 176.117 -0.299 0.000 1.010 2865 I CA 1.855 63.078 61.300 -0.128 0.000 1.322 2865 I CB -0.689 37.220 38.000 -0.152 0.000 1.044 2865 I HN 0.321 nan 8.210 nan 0.000 0.384 2866 Q N 0.106 119.712 119.800 -0.323 0.000 2.129 2866 Q HA -0.374 3.966 4.340 0.000 0.000 0.218 2866 Q C 2.285 178.233 176.000 -0.087 0.000 1.040 2866 Q CA 2.981 58.642 55.803 -0.236 0.000 0.913 2866 Q CB -0.475 28.188 28.738 -0.126 0.000 1.030 2866 Q HN 0.609 nan 8.270 nan 0.000 0.419 2867 S N -0.223 115.451 115.700 -0.044 0.000 2.355 2867 S HA -0.185 4.285 4.470 0.000 0.000 0.222 2867 S C 1.786 176.418 174.600 0.053 0.000 1.031 2867 S CA 1.358 59.563 58.200 0.008 0.000 0.993 2867 S CB -0.120 63.078 63.200 -0.003 0.000 0.859 2867 S HN 0.273 nan 8.310 nan 0.000 0.453 2868 E N 0.482 120.724 120.200 0.070 0.000 2.118 2868 E HA -0.026 4.324 4.350 0.000 0.000 0.195 2868 E C 1.092 177.815 176.600 0.205 0.000 0.992 2868 E CA 0.885 57.357 56.400 0.120 0.000 0.804 2868 E CB -0.441 29.348 29.700 0.148 0.000 0.741 2868 E HN 0.513 nan 8.360 nan 0.000 0.458 2869 F N 0.302 120.215 119.950 -0.063 0.000 1.987 2869 F HA -0.003 4.524 4.527 0.000 0.000 0.299 2869 F C 2.400 178.147 175.800 -0.088 0.000 1.451 2869 F CA 0.996 58.940 58.000 -0.093 0.000 1.167 2869 F CB -1.466 37.510 39.000 -0.040 0.000 0.932 2869 F HN -0.049 nan 8.300 nan 0.000 0.518 2870 R N 0.524 121.147 120.500 0.205 0.000 2.310 2870 R HA -0.388 3.952 4.340 0.000 0.000 0.188 2870 R C 2.187 178.502 176.300 0.026 0.000 1.034 2870 R CA 3.084 59.236 56.100 0.087 0.000 0.330 2870 R CB -0.966 29.378 30.300 0.075 0.000 0.678 2870 R HN 0.341 nan 8.270 nan 0.000 0.243 2871 K N -0.800 119.613 120.400 0.022 0.000 2.137 2871 K HA -0.311 4.009 4.320 0.000 0.000 0.216 2871 K C 1.720 178.286 176.600 -0.057 0.000 1.052 2871 K CA 2.288 58.569 56.287 -0.010 0.000 0.939 2871 K CB -0.360 32.137 32.500 -0.004 0.000 0.724 2871 K HN 0.470 nan 8.250 nan 0.000 0.465 2872 A N 1.022 123.766 122.820 -0.126 0.000 1.865 2872 A HA -0.056 4.264 4.320 0.000 0.000 0.216 2872 A C 2.150 179.608 177.584 -0.211 0.000 1.315 2872 A CA 0.887 52.758 52.037 -0.276 0.000 0.605 2872 A CB -1.025 17.616 19.000 -0.599 0.000 0.984 2872 A HN 0.389 nan 8.150 nan 0.000 0.470 2873 L N -0.117 120.970 121.223 -0.227 0.000 2.186 2873 L HA -0.334 4.006 4.340 0.000 0.000 0.221 2873 L C 2.339 179.240 176.870 0.052 0.000 1.087 2873 L CA 2.771 57.631 54.840 0.032 0.000 0.794 2873 L CB -0.238 41.850 42.059 0.047 0.000 0.893 2873 L HN 0.739 nan 8.230 nan 0.000 0.442 2874 E N -1.528 118.679 120.200 0.012 0.000 2.358 2874 E HA -0.167 4.183 4.350 0.000 0.000 0.195 2874 E C 1.922 178.533 176.600 0.018 0.000 1.010 2874 E CA 0.809 57.222 56.400 0.021 0.000 0.856 2874 E CB 0.167 29.877 29.700 0.016 0.000 0.795 2874 E HN 0.506 nan 8.360 nan 0.000 0.504 2875 S N -1.127 114.576 115.700 0.005 0.000 2.535 2875 S HA 0.222 4.692 4.470 0.000 0.000 0.214 2875 S C 1.472 176.094 174.600 0.036 0.000 0.980 2875 S CA 0.530 58.735 58.200 0.008 0.000 0.907 2875 S CB 0.328 63.519 63.200 -0.015 0.000 0.790 2875 S HN 0.399 nan 8.310 nan 0.000 0.510 2876 A N 0.799 123.664 122.820 0.076 0.000 1.956 2876 A HA 0.271 4.591 4.320 0.000 0.000 0.212 2876 A C 1.749 179.377 177.584 0.073 0.000 1.188 2876 A CA 0.698 52.807 52.037 0.119 0.000 0.675 2876 A CB -0.478 18.683 19.000 0.268 0.000 0.845 2876 A HN 0.462 nan 8.150 nan 0.000 0.455 2877 E N -0.160 120.079 120.200 0.065 0.000 2.401 2877 E HA -0.099 4.251 4.350 0.000 0.000 0.199 2877 E C 1.748 178.368 176.600 0.033 0.000 1.023 2877 E CA 0.909 57.335 56.400 0.042 0.000 0.859 2877 E CB -0.019 29.704 29.700 0.038 0.000 0.780 2877 E HN 0.559 nan 8.360 nan 0.000 0.523 2878 K N -0.388 120.032 120.400 0.033 0.000 2.374 2878 K HA -0.020 4.300 4.320 0.000 0.000 0.196 2878 K C 1.120 177.737 176.600 0.029 0.000 1.023 2878 K CA 0.248 56.551 56.287 0.027 0.000 1.103 2878 K CB 0.470 32.982 32.500 0.021 0.000 0.848 2878 K HN -0.062 nan 8.250 nan 0.000 0.528 2879 E N 1.410 121.630 120.200 0.033 0.000 2.101 2879 E HA -0.098 4.252 4.350 0.000 0.000 0.194 2879 E C 1.226 177.847 176.600 0.036 0.000 0.950 2879 E CA 1.136 57.553 56.400 0.029 0.000 0.917 2879 E CB -0.025 29.691 29.700 0.026 0.000 0.963 2879 E HN 0.299 nan 8.360 nan 0.000 0.476 2880 E N -0.398 119.821 120.200 0.030 0.000 2.352 2880 E HA -0.205 4.145 4.350 0.000 0.000 0.203 2880 E C 1.484 178.107 176.600 0.037 0.000 1.024 2880 E CA 1.347 57.764 56.400 0.028 0.000 0.842 2880 E CB -0.491 29.215 29.700 0.011 0.000 0.753 2880 E HN 0.309 nan 8.360 nan 0.000 0.508 2881 G N 1.517 110.339 108.800 0.037 0.000 2.939 2881 G HA2 0.107 4.067 3.960 0.000 0.000 0.210 2881 G HA3 0.107 4.067 3.960 0.000 0.000 0.210 2881 G C 0.643 175.569 174.900 0.042 0.000 1.160 2881 G CA -0.047 45.073 45.100 0.033 0.000 0.770 2881 G HN 0.327 nan 8.290 nan 0.000 0.543 2882 L N -0.122 121.140 121.223 0.065 0.000 2.292 2882 L HA 0.820 5.160 4.340 0.000 0.000 0.284 2882 L C -0.849 176.096 176.870 0.125 0.000 1.065 2882 L CA -0.475 54.415 54.840 0.084 0.000 0.806 2882 L CB 1.901 44.019 42.059 0.098 0.000 1.175 2882 L HN -0.161 nan 8.230 nan 0.000 0.431 2883 S N 2.380 118.113 115.700 0.055 0.000 2.599 2883 S HA 0.601 5.072 4.470 0.000 0.000 0.287 2883 S C -0.749 173.771 174.600 -0.133 0.000 1.105 2883 S CA -0.960 57.224 58.200 -0.026 0.000 0.899 2883 S CB 1.869 65.043 63.200 -0.042 0.000 1.100 2883 S HN 0.706 nan 8.310 nan 0.000 0.482 2884 R N 1.437 121.734 120.500 -0.339 0.000 2.491 2884 R HA 0.202 4.542 4.340 0.000 0.000 0.283 2884 R C -0.464 175.725 176.300 -0.184 0.000 1.072 2884 R CA -0.318 55.579 56.100 -0.338 0.000 1.048 2884 R CB 0.258 30.258 30.300 -0.500 0.000 0.983 2884 R HN 0.454 nan 8.270 nan 0.000 0.450 2885 D N 3.561 123.876 120.400 -0.141 0.000 2.468 2885 D HA 0.132 4.772 4.640 0.000 0.000 0.218 2885 D C -1.124 175.124 176.300 -0.087 0.000 1.155 2885 D CA -0.207 53.727 54.000 -0.110 0.000 0.924 2885 D CB 0.613 41.339 40.800 -0.124 0.000 1.029 2885 D HN 0.100 nan 8.370 nan 0.000 0.515 2886 V N 3.075 122.959 119.914 -0.049 0.000 2.448 2886 V HA 0.424 4.544 4.120 0.000 0.000 0.295 2886 V C 0.565 176.704 176.094 0.075 0.000 1.025 2886 V CA -0.602 61.713 62.300 0.024 0.000 0.859 2886 V CB 1.753 33.611 31.823 0.059 0.000 0.988 2886 V HN 0.468 nan 8.190 nan 0.000 0.431 2887 T N 2.529 117.140 114.554 0.096 0.000 2.858 2887 T HA 0.719 5.070 4.350 0.000 0.000 0.285 2887 T C -0.500 174.268 174.700 0.114 0.000 1.052 2887 T CA -0.101 62.065 62.100 0.111 0.000 1.009 2887 T CB 2.136 71.055 68.868 0.087 0.000 1.241 2887 T HN 0.885 nan 8.240 nan 0.000 0.542 2888 T N 0.281 114.874 114.554 0.065 0.000 2.916 2888 T HA 0.748 5.098 4.350 0.000 0.000 0.292 2888 T C -1.358 173.303 174.700 -0.064 0.000 1.055 2888 T CA -0.476 61.503 62.100 -0.201 0.000 1.009 2888 T CB 1.076 69.553 68.868 -0.652 0.000 1.118 2888 T HN 0.627 nan 8.240 nan 0.000 0.497 2889 V N 1.464 121.222 119.914 -0.261 0.000 3.007 2889 V HA 0.792 4.912 4.120 0.000 0.000 0.311 2889 V C -1.503 174.522 176.094 -0.115 0.000 1.120 2889 V CA -1.126 60.936 62.300 -0.396 0.000 0.980 2889 V CB 2.023 33.386 31.823 -0.767 0.000 1.033 2889 V HN 0.964 nan 8.190 nan 0.000 0.429 2890 W N 2.921 124.052 121.300 -0.283 0.000 2.619 2890 W HA 0.673 5.333 4.660 0.000 0.000 0.327 2890 W C -0.665 175.807 176.519 -0.079 0.000 1.027 2890 W CA -1.176 56.099 57.345 -0.118 0.000 1.233 2890 W CB 1.909 31.308 29.460 -0.102 0.000 1.370 2890 W HN 0.468 nan 8.180 nan 0.000 0.453 2891 K N 6.768 127.217 120.400 0.083 0.000 2.159 2891 K HA 0.611 4.931 4.320 0.000 0.000 0.266 2891 K C -0.751 175.675 176.600 -0.290 0.000 0.975 2891 K CA -0.796 55.467 56.287 -0.040 0.000 0.865 2891 K CB 1.896 34.446 32.500 0.083 0.000 1.087 2891 K HN 0.475 nan 8.250 nan 0.000 0.446 2892 L N 2.079 123.107 121.223 -0.326 0.000 2.401 2892 L HA 0.488 4.828 4.340 0.000 0.000 0.266 2892 L C -0.230 176.486 176.870 -0.257 0.000 0.991 2892 L CA -1.079 53.480 54.840 -0.468 0.000 0.818 2892 L CB 2.211 43.957 42.059 -0.522 0.000 1.321 2892 L HN 0.421 nan 8.230 nan 0.000 0.413 2893 R N 1.868 122.197 120.500 -0.285 0.000 2.215 2893 R HA 0.555 4.895 4.340 0.000 0.000 0.337 2893 R C -0.771 175.451 176.300 -0.131 0.000 1.010 2893 R CA -0.306 55.716 56.100 -0.130 0.000 0.871 2893 R CB 1.013 31.268 30.300 -0.074 0.000 1.134 2893 R HN 0.495 nan 8.270 nan 0.000 0.477 2894 V N 0.294 120.150 119.914 -0.096 0.000 3.019 2894 V HA 0.869 4.989 4.120 0.000 0.000 0.317 2894 V C -0.452 175.622 176.094 -0.032 0.000 1.094 2894 V CA -0.657 61.601 62.300 -0.069 0.000 1.000 2894 V CB 2.129 33.901 31.823 -0.085 0.000 1.060 2894 V HN 0.807 nan 8.190 nan 0.000 0.443 2895 T N -1.234 113.316 114.554 -0.006 0.000 2.956 2895 T HA 0.525 4.875 4.350 0.000 0.000 0.312 2895 T C -0.298 174.423 174.700 0.036 0.000 1.151 2895 T CA -0.454 61.654 62.100 0.014 0.000 1.024 2895 T CB 1.221 70.108 68.868 0.031 0.000 1.140 2895 T HN 0.941 nan 8.240 nan 0.000 0.473 2896 S N 1.745 117.466 115.700 0.035 0.000 2.546 2896 S HA 0.054 4.525 4.470 0.000 0.000 0.290 2896 S C 0.708 175.380 174.600 0.120 0.000 1.290 2896 S CA -0.515 57.720 58.200 0.058 0.000 1.069 2896 S CB -0.185 63.037 63.200 0.036 0.000 0.846 2896 S HN 0.760 nan 8.310 nan 0.000 0.495 2897 Y N 3.177 123.461 120.300 -0.026 0.000 2.256 2897 Y HA -0.166 4.384 4.550 0.000 0.000 0.288 2897 Y C 1.233 177.125 175.900 -0.013 0.000 1.155 2897 Y CA 0.788 58.874 58.100 -0.023 0.000 1.203 2897 Y CB 0.132 38.573 38.460 -0.032 0.000 0.980 2897 Y HN 0.562 nan 8.280 nan 0.000 0.530 2898 K N 2.526 122.945 120.400 0.031 0.000 2.294 2898 K HA 0.086 4.406 4.320 0.000 0.000 0.288 2898 K C -0.034 176.539 176.600 -0.046 0.000 1.072 2898 K CA -0.367 55.888 56.287 -0.053 0.000 0.960 2898 K CB 0.644 33.142 32.500 -0.003 0.000 1.043 2898 K HN 0.004 nan 8.250 nan 0.000 0.455 2899 K N 2.015 122.363 120.400 -0.087 0.000 2.778 2899 K HA -0.301 4.019 4.320 0.000 0.000 0.175 2899 K C 0.334 176.920 176.600 -0.022 0.000 1.324 2899 K CA 1.348 57.602 56.287 -0.056 0.000 0.926 2899 K CB -0.057 32.412 32.500 -0.052 0.000 0.634 2899 K HN 0.839 nan 8.250 nan 0.000 1.031 2900 K N -0.321 120.068 120.400 -0.017 0.000 2.004 2900 K HA -0.312 4.008 4.320 0.000 0.000 0.116 2900 K C 0.177 176.777 176.600 0.001 0.000 1.340 2900 K CA 2.338 58.621 56.287 -0.007 0.000 0.509 2900 K CB -1.451 31.047 32.500 -0.004 0.000 0.538 2900 K HN 1.074 nan 8.250 nan 0.000 0.955 2901 E N -1.204 119.000 120.200 0.005 0.000 4.177 2901 E HA 0.319 4.669 4.350 0.000 0.000 0.428 2901 E C -0.996 175.609 176.600 0.008 0.000 1.284 2901 E CA 0.101 56.508 56.400 0.011 0.000 2.060 2901 E CB 0.017 29.726 29.700 0.015 0.000 1.156 2901 E HN 0.573 nan 8.360 nan 0.000 0.333 2902 K N 0.908 121.313 120.400 0.008 0.000 3.307 2902 K HA 0.237 4.557 4.320 0.000 0.000 0.188 2902 K C -0.971 175.630 176.600 0.001 0.000 1.063 2902 K CA 0.263 56.554 56.287 0.006 0.000 0.949 2902 K CB 0.352 32.859 32.500 0.013 0.000 0.707 2902 K HN 0.701 nan 8.250 nan 0.000 0.441 2903 S N 0.418 116.117 115.700 -0.001 0.000 3.959 2903 S HA -0.037 4.434 4.470 0.000 0.000 0.473 2903 S C 0.419 175.010 174.600 -0.015 0.000 1.041 2903 S CA 0.281 58.476 58.200 -0.009 0.000 1.364 2903 S CB 0.036 63.231 63.200 -0.008 0.000 0.851 2903 S HN 0.407 nan 8.310 nan 0.000 0.543 2904 A N 3.550 126.358 122.820 -0.020 0.000 2.326 2904 A HA 0.861 5.181 4.320 0.000 0.000 0.303 2904 A C -0.383 177.178 177.584 -0.038 0.000 1.164 2904 A CA -0.951 51.072 52.037 -0.024 0.000 0.929 2904 A CB 0.484 19.474 19.000 -0.017 0.000 1.363 2904 A HN 0.720 nan 8.150 nan 0.000 0.498 2905 L N -0.054 121.144 121.223 -0.042 0.000 2.329 2905 L HA 0.577 4.918 4.340 0.000 0.000 0.279 2905 L C -0.951 175.882 176.870 -0.062 0.000 1.014 2905 L CA -0.517 54.289 54.840 -0.056 0.000 0.814 2905 L CB 1.476 43.495 42.059 -0.066 0.000 1.257 2905 L HN 0.609 nan 8.230 nan 0.000 0.424 2906 L N 3.691 124.860 121.223 -0.091 0.000 2.287 2906 L HA 0.612 4.953 4.340 0.000 0.000 0.287 2906 L C -0.553 176.254 176.870 -0.104 0.000 1.022 2906 L CA 0.243 55.024 54.840 -0.098 0.000 0.814 2906 L CB 1.253 43.226 42.059 -0.143 0.000 1.217 2906 L HN 0.666 nan 8.230 nan 0.000 0.420 2907 S N 6.344 121.999 115.700 -0.076 0.000 2.472 2907 S HA 0.731 5.201 4.470 0.000 0.000 0.303 2907 S C -0.350 174.182 174.600 -0.113 0.000 1.099 2907 S CA -0.481 57.632 58.200 -0.146 0.000 1.077 2907 S CB 1.251 64.336 63.200 -0.192 0.000 1.031 2907 S HN 0.516 nan 8.310 nan 0.000 0.487 2908 I N 2.176 122.678 120.570 -0.114 0.000 2.439 2908 I HA 0.336 4.506 4.170 0.000 0.000 0.283 2908 I C -1.135 174.962 176.117 -0.034 0.000 1.023 2908 I CA -0.510 60.822 61.300 0.055 0.000 1.100 2908 I CB 1.111 39.253 38.000 0.236 0.000 1.238 2908 I HN 0.622 nan 8.210 nan 0.000 0.445 2909 W N 4.988 126.351 121.300 0.105 0.000 2.251 2909 W HA 0.438 5.098 4.660 0.000 0.000 0.329 2909 W C 0.789 177.317 176.519 0.014 0.000 1.234 2909 W CA -0.352 57.025 57.345 0.053 0.000 1.228 2909 W CB 0.323 29.809 29.460 0.043 0.000 1.135 2909 W HN 0.384 nan 8.180 nan 0.000 0.576 2910 R N 1.728 122.357 120.500 0.215 0.000 2.879 2910 R HA -0.184 4.156 4.340 0.000 0.000 0.241 2910 R C -2.382 173.930 176.300 0.021 0.000 0.845 2910 R CA -0.120 56.021 56.100 0.070 0.000 0.599 2910 R CB -1.456 28.897 30.300 0.090 0.000 1.213 2910 R HN 0.145 nan 8.270 nan 0.000 0.510 2911 P HA -0.009 nan 4.420 nan 0.000 0.269 2911 P C 0.042 177.259 177.300 -0.139 0.000 1.252 2911 P CA 0.011 63.058 63.100 -0.088 0.000 0.780 2911 P CB 1.376 32.977 31.700 -0.166 0.000 0.829 2912 S N 2.961 118.600 115.700 -0.103 0.000 2.563 2912 S HA -0.048 4.422 4.470 0.000 0.000 0.294 2912 S C 1.766 176.283 174.600 -0.139 0.000 1.279 2912 S CA 0.309 58.447 58.200 -0.104 0.000 1.069 2912 S CB 0.033 63.178 63.200 -0.092 0.000 0.828 2912 S HN 0.523 nan 8.310 nan 0.000 0.497 2913 S N 3.002 118.629 115.700 -0.121 0.000 2.421 2913 S HA -0.264 4.206 4.470 0.000 0.000 0.239 2913 S C 1.123 175.649 174.600 -0.122 0.000 1.054 2913 S CA 1.887 60.011 58.200 -0.127 0.000 1.035 2913 S CB -0.870 62.281 63.200 -0.083 0.000 0.840 2913 S HN 0.842 nan 8.310 nan 0.000 0.475 2914 D N 1.501 121.837 120.400 -0.107 0.000 2.088 2914 D HA -0.017 4.623 4.640 0.000 0.000 0.196 2914 D C 1.966 178.196 176.300 -0.116 0.000 0.983 2914 D CA 1.158 55.101 54.000 -0.096 0.000 0.846 2914 D CB -0.815 39.928 40.800 -0.096 0.000 0.992 2914 D HN 0.297 nan 8.370 nan 0.000 0.448 2915 L N 0.962 122.085 121.223 -0.166 0.000 2.054 2915 L HA -0.263 4.078 4.340 0.000 0.000 0.220 2915 L C 2.288 179.114 176.870 -0.073 0.000 1.081 2915 L CA 1.810 56.530 54.840 -0.200 0.000 0.780 2915 L CB -1.368 40.538 42.059 -0.255 0.000 0.893 2915 L HN -0.018 nan 8.230 nan 0.000 0.438 2916 S N -1.343 114.238 115.700 -0.198 0.000 2.387 2916 S HA -0.165 4.306 4.470 0.000 0.000 0.230 2916 S C 1.920 176.455 174.600 -0.107 0.000 1.035 2916 S CA 1.621 59.580 58.200 -0.402 0.000 1.014 2916 S CB -0.281 62.605 63.200 -0.522 0.000 0.836 2916 S HN 0.823 nan 8.310 nan 0.000 0.466 2917 S N -0.130 115.542 115.700 -0.046 0.000 2.540 2917 S HA 0.192 4.663 4.470 0.000 0.000 0.218 2917 S C 1.442 176.081 174.600 0.064 0.000 0.977 2917 S CA 0.110 58.323 58.200 0.022 0.000 0.918 2917 S CB 0.154 63.349 63.200 -0.008 0.000 0.806 2917 S HN 0.428 nan 8.310 nan 0.000 0.496 2918 L N 1.347 122.606 121.223 0.060 0.000 2.145 2918 L HA 0.486 4.826 4.340 0.000 0.000 0.201 2918 L C 0.364 177.330 176.870 0.160 0.000 1.075 2918 L CA 1.003 55.896 54.840 0.088 0.000 0.773 2918 L CB -0.470 41.604 42.059 0.026 0.000 0.936 2918 L HN 0.287 nan 8.230 nan 0.000 0.451 2919 L N 1.938 123.214 121.223 0.089 0.000 2.410 2919 L HA 0.325 4.665 4.340 0.000 0.000 0.273 2919 L C -0.253 176.719 176.870 0.169 0.000 1.152 2919 L CA -0.119 54.727 54.840 0.009 0.000 0.855 2919 L CB 0.212 42.197 42.059 -0.123 0.000 1.129 2919 L HN 0.336 nan 8.230 nan 0.000 0.463 2920 T N -0.597 114.076 114.554 0.198 0.000 2.883 2920 T HA 0.375 4.725 4.350 0.000 0.000 0.301 2920 T C -0.563 174.165 174.700 0.047 0.000 1.158 2920 T CA -1.153 61.017 62.100 0.116 0.000 1.007 2920 T CB 1.787 70.716 68.868 0.103 0.000 1.186 2920 T HN 0.420 nan 8.240 nan 0.000 0.499 2921 E N 0.418 120.615 120.200 -0.005 0.000 2.404 2921 E HA 0.421 4.771 4.350 0.000 0.000 0.261 2921 E C 0.853 177.351 176.600 -0.170 0.000 1.074 2921 E CA 0.040 56.408 56.400 -0.053 0.000 0.917 2921 E CB 0.258 29.955 29.700 -0.005 0.000 0.965 2921 E HN 1.187 nan 8.360 nan 0.000 0.433 2922 G N 2.061 110.605 108.800 -0.427 0.000 2.370 2922 G HA2 -0.282 3.678 3.960 0.000 0.000 0.295 2922 G HA3 -0.282 3.678 3.960 0.000 0.000 0.295 2922 G C -0.319 174.183 174.900 -0.664 0.000 1.045 2922 G CA 0.776 45.105 45.100 -1.286 0.000 1.199 2922 G HN 0.353 nan 8.290 nan 0.000 0.513 2923 K N -1.235 118.906 120.400 -0.432 0.000 2.548 2923 K HA 0.718 5.038 4.320 0.000 0.000 0.282 2923 K C -0.075 176.261 176.600 -0.440 0.000 1.006 2923 K CA -0.947 55.102 56.287 -0.396 0.000 0.892 2923 K CB 1.509 33.798 32.500 -0.352 0.000 1.499 2923 K HN 0.306 nan 8.250 nan 0.000 0.433 2924 R N 1.184 121.298 120.500 -0.643 0.000 2.637 2924 R HA 0.574 4.914 4.340 0.000 0.000 0.291 2924 R C -1.333 174.488 176.300 -0.799 0.000 0.963 2924 R CA -0.434 55.303 56.100 -0.605 0.000 0.901 2924 R CB 0.817 30.731 30.300 -0.643 0.000 1.160 2924 R HN 0.605 nan 8.270 nan 0.000 0.457 2925 Y N 0.792 120.982 120.300 -0.184 0.000 2.655 2925 Y HA 0.428 4.978 4.550 0.000 0.000 0.336 2925 Y C -0.590 175.236 175.900 -0.124 0.000 1.154 2925 Y CA -0.975 57.064 58.100 -0.102 0.000 1.055 2925 Y CB 1.987 40.415 38.460 -0.053 0.000 1.295 2925 Y HN 0.398 nan 8.280 nan 0.000 0.465 2926 R N 1.934 122.507 120.500 0.122 0.000 2.468 2926 R HA 0.599 4.939 4.340 0.000 0.000 0.302 2926 R C -1.795 174.521 176.300 0.027 0.000 1.041 2926 R CA -0.230 55.838 56.100 -0.053 0.000 0.899 2926 R CB 0.547 30.801 30.300 -0.077 0.000 1.167 2926 R HN 0.645 nan 8.270 nan 0.000 0.483 2927 I N 4.636 125.131 120.570 -0.125 0.000 2.365 2927 I HA 0.270 4.440 4.170 0.000 0.000 0.291 2927 I C -0.508 175.526 176.117 -0.137 0.000 1.004 2927 I CA -0.547 60.663 61.300 -0.149 0.000 1.311 2927 I CB 0.971 38.760 38.000 -0.352 0.000 1.401 2927 I HN 0.519 nan 8.210 nan 0.000 0.491 2928 Y N 3.030 123.201 120.300 -0.216 0.000 2.468 2928 Y HA 0.382 4.932 4.550 0.000 0.000 0.342 2928 Y C -0.043 175.746 175.900 -0.186 0.000 1.021 2928 Y CA -0.962 56.992 58.100 -0.243 0.000 1.079 2928 Y CB 1.157 39.367 38.460 -0.416 0.000 1.226 2928 Y HN 0.539 nan 8.280 nan 0.000 0.460 2929 H N 1.712 120.828 119.070 0.078 0.000 2.861 2929 H HA -0.166 4.391 4.556 0.000 0.000 0.319 2929 H C -1.502 173.830 175.328 0.008 0.000 0.994 2929 H CA -0.318 55.750 56.048 0.033 0.000 1.032 2929 H CB -1.031 28.767 29.762 0.060 0.000 1.615 2929 H HN 0.435 nan 8.280 nan 0.000 0.357 2930 L N 1.453 122.730 121.223 0.090 0.000 2.329 2930 L HA 0.602 4.943 4.340 0.000 0.000 0.279 2930 L C 0.728 177.623 176.870 0.041 0.000 1.014 2930 L CA -0.548 54.313 54.840 0.035 0.000 0.814 2930 L CB 1.620 43.664 42.059 -0.026 0.000 1.257 2930 L HN 0.669 nan 8.230 nan 0.000 0.424 2931 A N 1.964 124.820 122.820 0.059 0.000 2.616 2931 A HA 0.033 4.353 4.320 0.000 0.000 0.234 2931 A C 1.004 178.614 177.584 0.043 0.000 1.024 2931 A CA 0.143 52.217 52.037 0.062 0.000 0.758 2931 A CB -0.123 18.935 19.000 0.096 0.000 0.939 2931 A HN 0.973 nan 8.150 nan 0.000 0.510 2932 V N 1.644 121.579 119.914 0.036 0.000 2.581 2932 V HA -0.084 4.036 4.120 0.000 0.000 0.209 2932 V C 0.693 176.808 176.094 0.035 0.000 1.502 2932 V CA 0.771 63.088 62.300 0.028 0.000 1.489 2932 V CB -2.631 29.208 31.823 0.027 0.000 1.319 2932 V HN 1.133 nan 8.190 nan 0.000 0.490 2933 S N 1.032 116.751 115.700 0.032 0.000 3.449 2933 S HA -0.207 4.263 4.470 0.000 0.000 0.195 2933 S C 0.553 175.180 174.600 0.044 0.000 0.539 2933 S CA 1.053 59.274 58.200 0.035 0.000 1.393 2933 S CB -1.042 62.179 63.200 0.035 0.000 1.019 2933 S HN 0.951 nan 8.310 nan 0.000 0.333 2934 K N 2.406 122.833 120.400 0.046 0.000 2.368 2934 K HA 0.207 4.528 4.320 0.000 0.000 0.282 2934 K C 0.892 177.514 176.600 0.038 0.000 1.035 2934 K CA -0.210 56.103 56.287 0.045 0.000 0.973 2934 K CB 0.498 33.030 32.500 0.052 0.000 0.957 2934 K HN 0.619 nan 8.250 nan 0.000 0.474 2935 S N 3.241 118.961 115.700 0.033 0.000 2.563 2935 S HA -0.023 4.448 4.470 0.000 0.000 0.284 2935 S C 0.629 175.240 174.600 0.019 0.000 1.331 2935 S CA -0.585 57.630 58.200 0.026 0.000 1.047 2935 S CB 0.584 63.797 63.200 0.023 0.000 0.859 2935 S HN 0.554 nan 8.310 nan 0.000 0.514 2936 K N 1.576 121.984 120.400 0.013 0.000 2.916 2936 K HA 0.468 4.788 4.320 0.000 0.000 0.320 2936 K C 0.415 177.016 176.600 0.002 0.000 1.032 2936 K CA -0.054 56.234 56.287 0.003 0.000 1.074 2936 K CB -0.970 31.527 32.500 -0.005 0.000 1.192 2936 K HN 1.134 nan 8.250 nan 0.000 0.468 2937 S N -2.197 113.499 115.700 -0.007 0.000 2.636 2937 S HA 0.455 4.925 4.470 0.000 0.000 0.266 2937 S C -1.750 172.835 174.600 -0.024 0.000 1.147 2937 S CA -1.062 57.134 58.200 -0.007 0.000 0.815 2937 S CB 0.957 64.151 63.200 -0.011 0.000 1.119 2937 S HN 0.567 nan 8.310 nan 0.000 0.470 2938 K N 0.540 120.919 120.400 -0.034 0.000 5.317 2938 K HA -0.068 4.252 4.320 0.000 0.000 0.733 2938 K C -0.070 176.527 176.600 -0.005 0.000 1.375 2938 K CA 0.629 56.847 56.287 -0.114 0.000 1.538 2938 K CB -2.314 30.079 32.500 -0.178 0.000 2.164 2938 K HN 0.871 nan 8.250 nan 0.000 0.332 2939 F N -2.157 117.785 119.950 -0.014 0.000 2.209 2939 F HA -0.321 4.206 4.527 0.000 0.000 0.372 2939 F C 1.039 176.829 175.800 -0.015 0.000 0.485 2939 F CA 0.759 58.749 58.000 -0.016 0.000 0.902 2939 F CB -0.695 38.292 39.000 -0.021 0.000 4.002 2939 F HN 0.468 nan 8.300 nan 0.000 0.153 2940 E N 1.472 121.800 120.200 0.213 0.000 2.561 2940 E HA 0.341 4.691 4.350 0.000 0.000 0.254 2940 E C 0.148 176.781 176.600 0.055 0.000 1.213 2940 E CA -0.347 56.101 56.400 0.079 0.000 0.995 2940 E CB 0.359 30.077 29.700 0.030 0.000 1.233 2940 E HN 0.385 nan 8.360 nan 0.000 0.556 2941 R N 0.150 120.664 120.500 0.024 0.000 2.432 2941 R HA 0.198 4.538 4.340 0.000 0.000 0.260 2941 R C -1.637 174.665 176.300 0.003 0.000 0.935 2941 R CA -0.794 55.312 56.100 0.011 0.000 1.080 2941 R CB -0.217 30.082 30.300 -0.002 0.000 1.155 2941 R HN 0.412 nan 8.270 nan 0.000 0.531 2942 P HA 0.049 nan 4.420 nan 0.000 0.274 2942 P C 0.178 177.481 177.300 0.005 0.000 1.264 2942 P CA 0.154 63.254 63.100 0.001 0.000 0.795 2942 P CB 0.558 32.258 31.700 0.002 0.000 1.064 2943 S N -1.911 113.792 115.700 0.005 0.000 3.175 2943 S HA -0.221 4.249 4.470 0.000 0.000 0.637 2943 S C -0.012 174.595 174.600 0.012 0.000 2.824 2943 S CA 0.949 59.153 58.200 0.008 0.000 3.014 2943 S CB -1.046 62.154 63.200 0.000 0.000 0.331 2943 S HN 0.713 nan 8.310 nan 0.000 1.796 2944 I N 0.254 120.831 120.570 0.011 0.000 3.298 2944 I HA 0.508 4.678 4.170 0.000 0.000 0.315 2944 I C -1.156 174.965 176.117 0.006 0.000 1.293 2944 I CA -0.239 61.071 61.300 0.017 0.000 0.926 2944 I CB 1.988 40.008 38.000 0.034 0.000 1.321 2944 I HN 0.680 nan 8.210 nan 0.000 0.487 2945 Q N 2.031 121.839 119.800 0.012 0.000 2.353 2945 Q HA 0.671 5.011 4.340 0.000 0.000 0.268 2945 Q C -1.986 174.022 176.000 0.013 0.000 1.045 2945 Q CA -0.762 55.046 55.803 0.007 0.000 0.811 2945 Q CB 1.827 30.575 28.738 0.016 0.000 1.305 2945 Q HN 0.499 nan 8.270 nan 0.000 0.447 2946 L N 2.488 123.710 121.223 -0.001 0.000 2.322 2946 L HA 0.591 4.931 4.340 0.000 0.000 0.281 2946 L C -0.685 176.196 176.870 0.018 0.000 1.014 2946 L CA -0.042 54.797 54.840 -0.001 0.000 0.815 2946 L CB 2.096 44.133 42.059 -0.035 0.000 1.247 2946 L HN 0.681 nan 8.230 nan 0.000 0.421 2947 T N 1.283 115.871 114.554 0.056 0.000 2.893 2947 T HA 0.832 5.182 4.350 0.000 0.000 0.293 2947 T C -0.493 174.278 174.700 0.118 0.000 1.027 2947 T CA -0.758 61.413 62.100 0.118 0.000 0.988 2947 T CB 1.876 70.873 68.868 0.216 0.000 1.043 2947 T HN 0.647 nan 8.240 nan 0.000 0.461 2948 A N 2.535 125.446 122.820 0.152 0.000 2.292 2948 A HA 0.752 5.073 4.320 0.000 0.000 0.319 2948 A C 0.728 178.430 177.584 0.197 0.000 1.206 2948 A CA -0.717 51.409 52.037 0.149 0.000 0.835 2948 A CB 0.196 19.297 19.000 0.169 0.000 1.164 2948 A HN 0.938 nan 8.150 nan 0.000 0.505 2949 T N -0.424 114.225 114.554 0.157 0.000 2.849 2949 T HA 0.328 4.679 4.350 0.000 0.000 0.276 2949 T C 1.018 175.802 174.700 0.140 0.000 0.971 2949 T CA -0.183 62.000 62.100 0.138 0.000 0.949 2949 T CB 0.771 69.700 68.868 0.102 0.000 1.093 2949 T HN 0.687 nan 8.240 nan 0.000 0.545 2950 K N 0.014 120.478 120.400 0.107 0.000 2.442 2950 K HA -0.110 4.210 4.320 0.000 0.000 0.198 2950 K C 1.356 178.019 176.600 0.105 0.000 1.044 2950 K CA 0.836 57.181 56.287 0.096 0.000 0.948 2950 K CB -0.385 32.153 32.500 0.064 0.000 0.762 2950 K HN 0.710 nan 8.250 nan 0.000 0.472 2951 R N 0.713 121.288 120.500 0.125 0.000 2.791 2951 R HA 0.224 4.564 4.340 0.000 0.000 0.357 2951 R C -0.915 175.508 176.300 0.205 0.000 1.173 2951 R CA -0.495 55.697 56.100 0.155 0.000 1.060 2951 R CB 0.395 30.790 30.300 0.158 0.000 1.406 2951 R HN -0.165 nan 8.270 nan 0.000 0.580 2952 T N 0.775 115.439 114.554 0.184 0.000 2.907 2952 T HA 0.251 4.601 4.350 0.000 0.000 0.284 2952 T C -0.781 174.045 174.700 0.211 0.000 1.004 2952 T CA -0.415 61.788 62.100 0.172 0.000 1.063 2952 T CB 1.953 70.928 68.868 0.177 0.000 0.992 2952 T HN 0.251 nan 8.240 nan 0.000 0.483 2953 Q N 1.203 121.094 119.800 0.151 0.000 2.359 2953 Q HA 0.408 4.748 4.340 0.000 0.000 0.274 2953 Q C -1.786 174.413 176.000 0.332 0.000 1.074 2953 Q CA -0.762 55.176 55.803 0.225 0.000 0.810 2953 Q CB 1.958 30.673 28.738 -0.039 0.000 1.342 2953 Q HN 0.771 nan 8.270 nan 0.000 0.427 2954 Y N 1.624 121.936 120.300 0.020 0.000 2.334 2954 Y HA 0.337 4.888 4.550 0.000 0.000 0.336 2954 Y C -0.242 175.726 175.900 0.113 0.000 0.960 2954 Y CA -0.973 57.167 58.100 0.066 0.000 1.164 2954 Y CB 1.883 40.322 38.460 -0.034 0.000 1.155 2954 Y HN 0.466 nan 8.280 nan 0.000 0.478 2955 Q N 3.558 123.553 119.800 0.326 0.000 2.333 2955 Q HA 0.189 4.529 4.340 0.000 0.000 0.265 2955 Q C -0.874 175.290 176.000 0.273 0.000 0.989 2955 Q CA -0.653 55.296 55.803 0.244 0.000 0.842 2955 Q CB 1.470 30.337 28.738 0.216 0.000 1.262 2955 Q HN 0.629 nan 8.270 nan 0.000 0.451 2956 Q N 4.615 124.546 119.800 0.218 0.000 2.294 2956 Q HA 0.364 4.704 4.340 0.000 0.000 0.257 2956 Q C -1.192 174.744 176.000 -0.106 0.000 0.955 2956 Q CA -0.202 55.607 55.803 0.009 0.000 0.936 2956 Q CB 0.565 29.297 28.738 -0.011 0.000 1.188 2956 Q HN 0.653 nan 8.270 nan 0.000 0.420 2957 L N 5.121 126.217 121.223 -0.212 0.000 2.322 2957 L HA 0.640 4.980 4.340 0.000 0.000 0.269 2957 L C -2.183 174.542 176.870 -0.241 0.000 1.012 2957 L CA -2.456 52.280 54.840 -0.173 0.000 0.815 2957 L CB 1.545 43.511 42.059 -0.154 0.000 1.295 2957 L HN 0.582 nan 8.230 nan 0.000 0.438 2958 P HA 0.411 nan 4.420 nan 0.000 0.279 2958 P C -1.315 175.899 177.300 -0.144 0.000 1.276 2958 P CA -0.409 62.602 63.100 -0.148 0.000 0.801 2958 P CB 1.179 32.832 31.700 -0.078 0.000 1.127 2959 V N -0.810 119.049 119.914 -0.092 0.000 3.012 2959 V HA 0.378 4.498 4.120 0.000 0.000 0.307 2959 V C -0.513 175.594 176.094 0.022 0.000 1.166 2959 V CA -0.810 61.490 62.300 -0.001 0.000 0.974 2959 V CB 2.080 33.886 31.823 -0.029 0.000 1.040 2959 V HN 0.617 nan 8.190 nan 0.000 0.428 2960 S N 1.340 117.079 115.700 0.065 0.000 2.475 2960 S HA 0.326 4.796 4.470 0.000 0.000 0.281 2960 S C 1.096 175.722 174.600 0.043 0.000 1.198 2960 S CA -0.041 58.183 58.200 0.041 0.000 1.063 2960 S CB 1.398 64.622 63.200 0.040 0.000 0.972 2960 S HN 0.721 nan 8.310 nan 0.000 0.486 2961 S N 2.535 118.253 115.700 0.031 0.000 2.380 2961 S HA -0.279 4.192 4.470 0.000 0.000 0.229 2961 S C 1.775 176.401 174.600 0.043 0.000 1.050 2961 S CA 1.985 60.208 58.200 0.039 0.000 1.100 2961 S CB -0.825 62.393 63.200 0.031 0.000 0.984 2961 S HN 0.961 nan 8.310 nan 0.000 0.434 2962 E N 1.003 121.221 120.200 0.030 0.000 2.208 2962 E HA -0.194 4.157 4.350 0.000 0.000 0.202 2962 E C 1.753 178.364 176.600 0.020 0.000 1.014 2962 E CA 1.872 58.285 56.400 0.022 0.000 0.819 2962 E CB -0.297 29.411 29.700 0.014 0.000 0.735 2962 E HN 0.714 nan 8.360 nan 0.000 0.469 2963 T N -2.552 112.018 114.554 0.026 0.000 3.174 2963 T HA 0.177 4.527 4.350 0.000 0.000 0.269 2963 T C 1.122 175.842 174.700 0.033 0.000 1.017 2963 T CA -0.103 62.002 62.100 0.008 0.000 0.899 2963 T CB 0.155 69.010 68.868 -0.021 0.000 1.077 2963 T HN 0.098 nan 8.240 nan 0.000 0.552 2964 L N 1.049 122.319 121.223 0.079 0.000 2.130 2964 L HA 0.454 4.794 4.340 0.000 0.000 0.200 2964 L C 1.762 178.717 176.870 0.142 0.000 1.075 2964 L CA 1.195 56.119 54.840 0.139 0.000 0.768 2964 L CB -0.993 41.160 42.059 0.157 0.000 0.933 2964 L HN 0.223 nan 8.230 nan 0.000 0.451 2965 L N 0.120 121.404 121.223 0.101 0.000 2.468 2965 L HA -0.274 4.066 4.340 0.000 0.000 0.225 2965 L C 2.447 179.329 176.870 0.021 0.000 1.139 2965 L CA 1.474 56.344 54.840 0.050 0.000 0.792 2965 L CB -1.107 40.964 42.059 0.021 0.000 0.916 2965 L HN 0.468 nan 8.230 nan 0.000 0.446 2966 Q N -1.240 118.574 119.800 0.023 0.000 2.033 2966 Q HA -0.112 4.229 4.340 0.000 0.000 0.196 2966 Q C 2.256 178.261 176.000 0.008 0.000 0.970 2966 Q CA 1.903 57.705 55.803 -0.001 0.000 0.828 2966 Q CB -0.154 28.569 28.738 -0.024 0.000 0.895 2966 Q HN 0.588 nan 8.270 nan 0.000 0.440 2967 V N -2.577 117.361 119.914 0.040 0.000 2.436 2967 V HA -0.012 4.108 4.120 0.000 0.000 0.240 2967 V C 0.865 177.016 176.094 0.095 0.000 1.040 2967 V CA 0.366 62.702 62.300 0.059 0.000 1.052 2967 V CB -0.822 31.051 31.823 0.083 0.000 0.707 2967 V HN 0.225 nan 8.190 nan 0.000 0.469 2968 Y N 4.850 125.148 120.300 -0.004 0.000 2.624 2968 Y HA 0.405 4.955 4.550 0.000 0.000 0.354 2968 Y C 0.420 176.299 175.900 -0.035 0.000 1.051 2968 Y CA -1.267 56.822 58.100 -0.019 0.000 1.377 2968 Y CB -0.439 38.016 38.460 -0.008 0.000 1.168 2968 Y HN 0.567 nan 8.280 nan 0.000 0.525 2969 Q N 7.660 127.189 119.800 -0.452 0.000 2.398 2969 Q HA 0.473 4.813 4.340 0.000 0.000 0.251 2969 Q C -2.631 172.933 176.000 -0.728 0.000 0.999 2969 Q CA -2.213 53.294 55.803 -0.494 0.000 0.874 2969 Q CB 1.042 29.633 28.738 -0.245 0.000 1.215 2969 Q HN 0.448 nan 8.270 nan 0.000 0.470 2970 P HA -0.061 nan 4.420 nan 0.000 0.272 2970 P C -0.483 176.556 177.300 -0.435 0.000 1.243 2970 P CA -0.279 62.407 63.100 -0.689 0.000 0.803 2970 P CB 0.583 32.013 31.700 -0.451 0.000 0.974 2971 R N 1.032 121.252 120.500 -0.467 0.000 2.438 2971 R HA 0.219 4.560 4.340 0.000 0.000 0.287 2971 R C 0.352 176.324 176.300 -0.546 0.000 1.077 2971 R CA 0.231 55.974 56.100 -0.595 0.000 1.034 2971 R CB 0.298 29.984 30.300 -1.022 0.000 0.993 2971 R HN 0.502 nan 8.270 nan 0.000 0.459 2972 E N 1.074 121.112 120.200 -0.271 0.000 2.256 2972 E HA 0.120 4.470 4.350 0.000 0.000 0.268 2972 E C -1.092 175.444 176.600 -0.106 0.000 0.877 2972 E CA -0.547 55.779 56.400 -0.123 0.000 0.757 2972 E CB 1.495 31.111 29.700 -0.140 0.000 1.183 2972 E HN 0.587 nan 8.360 nan 0.000 0.418 2973 S N 5.243 120.826 115.700 -0.194 0.000 3.729 2973 S HA 0.203 4.673 4.470 0.000 0.000 0.235 2973 S C 0.523 174.897 174.600 -0.378 0.000 1.367 2973 S CA -0.944 56.997 58.200 -0.432 0.000 0.907 2973 S CB -0.823 61.899 63.200 -0.797 0.000 1.471 2973 S HN 0.436 nan 8.310 nan 0.000 0.476 2974 L N 0.389 121.416 121.223 -0.326 0.000 2.832 2974 L HA -0.033 4.307 4.340 0.000 0.000 0.334 2974 L C 0.286 176.968 176.870 -0.314 0.000 1.254 2974 L CA 0.847 55.484 54.840 -0.338 0.000 0.844 2974 L CB -1.402 40.525 42.059 -0.219 0.000 1.090 2974 L HN 0.598 nan 8.230 nan 0.000 0.550 2975 H N 1.942 121.052 119.070 0.066 0.000 2.567 2975 H HA 0.316 4.872 4.556 0.000 0.000 0.294 2975 H C 0.434 175.929 175.328 0.278 0.000 1.050 2975 H CA 0.430 56.570 56.048 0.153 0.000 1.168 2975 H CB -0.350 29.470 29.762 0.095 0.000 1.422 2975 H HN 0.632 nan 8.280 nan 0.000 0.562 2976 F N -1.324 118.669 119.950 0.072 0.000 2.582 2976 F HA -0.476 4.051 4.527 0.000 0.000 0.606 2976 F C 2.066 177.907 175.800 0.069 0.000 0.501 2976 F CA 1.511 59.551 58.000 0.068 0.000 0.880 2976 F CB -1.318 37.730 39.000 0.080 0.000 1.700 2976 F HN 0.240 nan 8.300 nan 0.000 0.259 2977 S N -0.022 115.825 115.700 0.246 0.000 2.354 2977 S HA -0.246 4.224 4.470 0.000 0.000 0.219 2977 S C 1.592 176.250 174.600 0.096 0.000 1.035 2977 S CA 1.515 59.810 58.200 0.159 0.000 1.037 2977 S CB -0.413 62.868 63.200 0.135 0.000 0.956 2977 S HN 0.456 nan 8.310 nan 0.000 0.428 2978 R N 0.973 121.520 120.500 0.079 0.000 2.270 2978 R HA -0.220 4.120 4.340 0.000 0.000 0.260 2978 R C 1.987 178.297 176.300 0.016 0.000 1.127 2978 R CA 1.850 57.974 56.100 0.039 0.000 0.969 2978 R CB -1.147 29.164 30.300 0.018 0.000 0.918 2978 R HN 0.409 nan 8.270 nan 0.000 0.455 2979 L N 1.085 122.307 121.223 -0.001 0.000 2.661 2979 L HA -0.172 4.168 4.340 0.000 0.000 0.236 2979 L C 2.345 179.225 176.870 0.017 0.000 1.176 2979 L CA 1.115 55.950 54.840 -0.008 0.000 0.836 2979 L CB -0.671 41.370 42.059 -0.030 0.000 0.960 2979 L HN 0.383 nan 8.230 nan 0.000 0.455 2980 S N -2.195 113.524 115.700 0.032 0.000 2.398 2980 S HA -0.002 4.468 4.470 0.000 0.000 0.220 2980 S C 0.704 175.320 174.600 0.025 0.000 1.046 2980 S CA -0.233 57.988 58.200 0.036 0.000 0.953 2980 S CB -0.126 63.104 63.200 0.049 0.000 0.856 2980 S HN 0.292 nan 8.310 nan 0.000 0.506 2981 D N 4.809 125.223 120.400 0.023 0.000 2.339 2981 D HA 0.186 4.826 4.640 0.000 0.000 0.256 2981 D C -1.985 174.320 176.300 0.009 0.000 1.214 2981 D CA -1.315 52.694 54.000 0.016 0.000 0.877 2981 D CB 0.917 41.727 40.800 0.016 0.000 1.111 2981 D HN 0.309 nan 8.370 nan 0.000 0.478 2982 P HA -0.038 nan 4.420 nan 0.000 0.296 2982 P C -0.359 176.941 177.300 -0.000 0.000 1.447 2982 P CA 0.293 63.395 63.100 0.003 0.000 0.750 2982 P CB -0.077 31.625 31.700 0.003 0.000 1.451 2983 A N -0.588 122.232 122.820 0.000 0.000 3.156 2983 A HA 0.556 4.876 4.320 0.000 0.000 0.311 2983 A C -0.371 177.211 177.584 -0.004 0.000 1.129 2983 A CA -0.362 51.673 52.037 -0.003 0.000 0.809 2983 A CB -0.462 18.537 19.000 -0.002 0.000 1.257 2983 A HN 0.095 nan 8.150 nan 0.000 0.491 2984 F N -0.420 119.525 119.950 -0.008 0.000 2.722 2984 F HA 0.546 5.073 4.527 0.000 0.000 0.428 2984 F C 0.953 176.743 175.800 -0.017 0.000 1.128 2984 F CA 0.828 58.821 58.000 -0.012 0.000 1.069 2984 F CB -1.134 37.862 39.000 -0.007 0.000 2.388 2984 F HN 1.147 nan 8.300 nan 0.000 0.440 2985 Q N -0.041 119.749 119.800 -0.017 0.000 2.468 2985 Q HA 0.269 4.609 4.340 0.000 0.000 0.216 2985 Q C 0.359 176.344 176.000 -0.024 0.000 0.991 2985 Q CA 1.695 57.487 55.803 -0.018 0.000 0.900 2985 Q CB -2.449 26.280 28.738 -0.015 0.000 0.930 2985 Q HN 2.360 nan 8.270 nan 0.000 0.473 2986 P HA 0.170 nan 4.420 nan 0.000 0.015 2986 P C -0.887 176.388 177.300 -0.043 0.000 0.517 2986 P CA 1.155 64.230 63.100 -0.041 0.000 1.035 2986 P CB -2.210 29.462 31.700 -0.047 0.000 1.906 2987 P HA -0.037 nan 4.420 nan 0.000 0.103 2987 P C 0.960 178.244 177.300 -0.027 0.000 0.939 2987 P CA 1.403 64.479 63.100 -0.040 0.000 0.981 2987 P CB -1.863 29.804 31.700 -0.056 0.000 1.620 2988 C N 2.454 121.741 119.300 -0.022 0.000 4.085 2988 C HA -0.182 4.278 4.460 0.000 0.000 0.292 2988 C C 2.212 177.191 174.990 -0.019 0.000 1.517 2988 C CA 2.360 61.367 59.018 -0.018 0.000 2.072 2988 C CB -2.433 25.296 27.740 -0.017 0.000 1.308 2988 C HN 2.285 nan 8.230 nan 0.000 0.788 2989 S N -1.996 113.692 115.700 -0.019 0.000 2.044 2989 S HA -0.196 4.275 4.470 0.000 0.000 0.248 2989 S C -0.192 174.396 174.600 -0.020 0.000 1.146 2989 S CA 1.455 59.645 58.200 -0.017 0.000 1.370 2989 S CB -1.376 61.819 63.200 -0.008 0.000 1.698 2989 S HN 0.935 nan 8.310 nan 0.000 0.578 2990 E N 1.704 121.891 120.200 -0.021 0.000 2.373 2990 E HA 0.454 4.804 4.350 0.000 0.000 0.267 2990 E C 0.212 176.794 176.600 -0.029 0.000 1.032 2990 E CA 0.371 56.760 56.400 -0.017 0.000 0.889 2990 E CB 1.528 31.232 29.700 0.008 0.000 0.984 2990 E HN 0.524 nan 8.360 nan 0.000 0.425 2991 V N -0.152 119.740 119.914 -0.036 0.000 3.130 2991 V HA 0.576 4.696 4.120 0.000 0.000 0.310 2991 V C -1.567 174.507 176.094 -0.033 0.000 1.158 2991 V CA -0.872 61.394 62.300 -0.057 0.000 1.029 2991 V CB 2.611 34.378 31.823 -0.094 0.000 1.057 2991 V HN 0.517 nan 8.190 nan 0.000 0.436 2992 D N 1.457 121.837 120.400 -0.034 0.000 2.738 2992 D HA 0.755 5.395 4.640 0.000 0.000 0.237 2992 D C -0.505 175.781 176.300 -0.023 0.000 1.123 2992 D CA 0.044 54.077 54.000 0.055 0.000 0.856 2992 D CB 2.215 43.121 40.800 0.177 0.000 1.552 2992 D HN 1.172 nan 8.370 nan 0.000 0.480 2993 V N -1.505 118.491 119.914 0.136 0.000 3.165 2993 V HA 0.889 5.009 4.120 0.000 0.000 0.309 2993 V C -1.333 174.987 176.094 0.377 0.000 1.267 2993 V CA -0.555 61.815 62.300 0.115 0.000 1.067 2993 V CB 2.017 33.792 31.823 -0.079 0.000 1.082 2993 V HN 0.330 nan 8.190 nan 0.000 0.451 2994 V N -0.182 119.955 119.914 0.372 0.000 3.078 2994 V HA 1.089 5.209 4.120 0.000 0.000 0.311 2994 V C 0.538 176.869 176.094 0.394 0.000 1.138 2994 V CA 0.294 62.811 62.300 0.361 0.000 1.007 2994 V CB 1.355 33.372 31.823 0.323 0.000 1.045 2994 V HN 1.872 nan 8.190 nan 0.000 0.432 2995 G N 0.489 109.437 108.800 0.247 0.000 2.323 2995 G HA2 0.515 4.475 3.960 0.000 0.000 0.291 2995 G HA3 0.515 4.475 3.960 0.000 0.000 0.291 2995 G C -2.099 172.872 174.900 0.119 0.000 1.278 2995 G CA -0.080 45.124 45.100 0.174 0.000 0.860 2995 G HN 0.894 nan 8.290 nan 0.000 0.504 2996 V N -0.213 119.759 119.914 0.096 0.000 2.789 2996 V HA 0.631 4.751 4.120 0.000 0.000 0.311 2996 V C 0.128 176.286 176.094 0.106 0.000 1.073 2996 V CA -0.841 61.509 62.300 0.084 0.000 0.921 2996 V CB 1.770 33.631 31.823 0.064 0.000 1.009 2996 V HN 0.792 nan 8.190 nan 0.000 0.426 2997 V N 4.445 124.416 119.914 0.095 0.000 2.488 2997 V HA 0.153 4.273 4.120 0.000 0.000 0.277 2997 V C 1.174 177.324 176.094 0.093 0.000 1.046 2997 V CA 0.484 62.847 62.300 0.105 0.000 0.986 2997 V CB 1.186 33.054 31.823 0.075 0.000 0.989 2997 V HN 0.868 nan 8.190 nan 0.000 0.475 2998 V N 2.355 122.339 119.914 0.116 0.000 2.331 2998 V HA 0.217 4.337 4.120 0.000 0.000 0.242 2998 V C 0.740 176.862 176.094 0.047 0.000 1.034 2998 V CA 1.307 63.651 62.300 0.074 0.000 1.027 2998 V CB 0.329 32.190 31.823 0.063 0.000 0.667 2998 V HN 0.937 nan 8.190 nan 0.000 0.457 2999 S N -1.333 114.415 115.700 0.081 0.000 2.548 2999 S HA 0.703 5.173 4.470 0.000 0.000 0.278 2999 S C -1.039 173.628 174.600 0.113 0.000 1.150 2999 S CA -0.507 57.718 58.200 0.042 0.000 0.907 2999 S CB 1.371 64.545 63.200 -0.043 0.000 1.108 2999 S HN 0.367 nan 8.310 nan 0.000 0.459 3000 V N 1.680 121.630 119.914 0.060 0.000 3.036 3000 V HA 0.767 4.887 4.120 0.000 0.000 0.308 3000 V C -0.367 175.767 176.094 0.066 0.000 1.070 3000 V CA -0.424 61.910 62.300 0.058 0.000 1.056 3000 V CB 1.581 33.387 31.823 -0.028 0.000 1.084 3000 V HN 0.890 nan 8.190 nan 0.000 0.471 3001 V N 2.685 122.646 119.914 0.079 0.000 2.752 3001 V HA 0.360 4.481 4.120 0.000 0.000 0.302 3001 V C -0.400 175.726 176.094 0.053 0.000 1.133 3001 V CA -0.910 61.435 62.300 0.076 0.000 0.919 3001 V CB 1.938 33.853 31.823 0.153 0.000 1.026 3001 V HN 0.865 nan 8.190 nan 0.000 0.429 3002 K N 3.005 123.421 120.400 0.026 0.000 3.174 3002 K HA 0.339 4.659 4.320 0.000 0.000 0.207 3002 K C -2.546 174.072 176.600 0.030 0.000 1.190 3002 K CA -1.552 54.746 56.287 0.019 0.000 1.054 3002 K CB 0.723 33.218 32.500 -0.009 0.000 1.154 3002 K HN 0.447 nan 8.250 nan 0.000 0.495 3003 P HA -0.175 nan 4.420 nan 0.000 0.255 3003 P C -0.289 177.033 177.300 0.036 0.000 1.114 3003 P CA 0.701 63.828 63.100 0.046 0.000 0.765 3003 P CB 0.032 31.769 31.700 0.062 0.000 0.694 3004 I N 2.282 122.868 120.570 0.028 0.000 3.022 3004 I HA 0.051 4.221 4.170 0.000 0.000 0.290 3004 I C 1.592 177.725 176.117 0.028 0.000 1.212 3004 I CA 1.165 62.479 61.300 0.024 0.000 1.377 3004 I CB -0.835 37.176 38.000 0.019 0.000 1.417 3004 I HN 0.720 nan 8.210 nan 0.000 0.540 3005 G N 5.437 114.254 108.800 0.029 0.000 2.155 3005 G HA2 -0.102 3.858 3.960 0.000 0.000 0.130 3005 G HA3 -0.102 3.858 3.960 0.000 0.000 0.130 3005 G C 0.044 174.967 174.900 0.039 0.000 1.027 3005 G CA -0.618 44.501 45.100 0.032 0.000 0.705 3005 G HN 0.613 nan 8.290 nan 0.000 0.496 3006 L N -2.295 118.952 121.223 0.041 0.000 0.651 3006 L HA 0.089 4.429 4.340 0.000 0.000 0.358 3006 L C 0.683 177.593 176.870 0.066 0.000 1.004 3006 L CA 0.753 55.623 54.840 0.051 0.000 1.222 3006 L CB -0.959 41.131 42.059 0.052 0.000 0.111 3006 L HN 2.268 nan 8.230 nan 0.000 0.117 3007 A N 1.518 124.388 122.820 0.083 0.000 2.849 3007 A HA 0.167 4.487 4.320 0.000 0.000 0.216 3007 A C -1.712 175.946 177.584 0.124 0.000 2.236 3007 A CA -0.286 51.819 52.037 0.113 0.000 1.979 3007 A CB -1.262 17.796 19.000 0.097 0.000 0.302 3007 A HN 0.620 nan 8.150 nan 0.000 0.879 3008 P HA 0.368 nan 4.420 nan 0.000 0.270 3008 P C -0.181 177.216 177.300 0.162 0.000 1.216 3008 P CA 0.402 63.557 63.100 0.092 0.000 0.788 3008 P CB 0.607 32.304 31.700 -0.004 0.000 0.883 3009 L N -0.215 121.089 121.223 0.135 0.000 2.422 3009 L HA 0.507 4.847 4.340 0.000 0.000 0.264 3009 L C -0.590 176.363 176.870 0.139 0.000 0.984 3009 L CA -1.149 53.785 54.840 0.157 0.000 0.819 3009 L CB 2.496 44.649 42.059 0.157 0.000 1.330 3009 L HN 0.037 nan 8.230 nan 0.000 0.410 3010 V N 1.936 121.926 119.914 0.127 0.000 2.409 3010 V HA 0.340 4.460 4.120 0.000 0.000 0.290 3010 V C -1.118 175.016 176.094 0.067 0.000 1.017 3010 V CA -0.566 61.815 62.300 0.133 0.000 0.841 3010 V CB 1.488 33.410 31.823 0.166 0.000 1.003 3010 V HN 0.412 nan 8.190 nan 0.000 0.426 3011 Y N 5.279 125.645 120.300 0.110 0.000 2.452 3011 Y HA 0.504 5.054 4.550 0.000 0.000 0.348 3011 Y C 0.266 176.238 175.900 0.120 0.000 0.985 3011 Y CA -0.171 57.997 58.100 0.113 0.000 1.214 3011 Y CB 0.803 39.306 38.460 0.072 0.000 1.136 3011 Y HN 0.423 nan 8.280 nan 0.000 0.523 3012 L N 2.575 123.934 121.223 0.227 0.000 2.334 3012 L HA 0.597 4.937 4.340 0.000 0.000 0.273 3012 L C -0.150 176.808 176.870 0.147 0.000 1.013 3012 L CA -0.748 54.225 54.840 0.222 0.000 0.816 3012 L CB 2.042 44.295 42.059 0.322 0.000 1.278 3012 L HN 0.467 nan 8.230 nan 0.000 0.431 3013 S N 0.837 116.556 115.700 0.031 0.000 2.594 3013 S HA 0.385 4.856 4.470 0.000 0.000 0.296 3013 S C -0.719 173.737 174.600 -0.240 0.000 1.124 3013 S CA -0.882 57.240 58.200 -0.130 0.000 1.011 3013 S CB 1.225 64.421 63.200 -0.006 0.000 1.016 3013 S HN 0.724 nan 8.310 nan 0.000 0.485 3014 D N 3.147 123.179 120.400 -0.614 0.000 2.342 3014 D HA 0.164 4.804 4.640 0.000 0.000 0.284 3014 D C 1.109 177.357 176.300 -0.087 0.000 1.198 3014 D CA -0.014 53.717 54.000 -0.449 0.000 1.061 3014 D CB -0.196 40.140 40.800 -0.775 0.000 1.130 3014 D HN 0.675 nan 8.370 nan 0.000 0.541 3015 E N -1.381 118.810 120.200 -0.015 0.000 2.230 3015 E HA 0.055 4.405 4.350 0.000 0.000 0.192 3015 E C 0.945 177.605 176.600 0.100 0.000 0.987 3015 E CA 0.175 56.631 56.400 0.094 0.000 0.841 3015 E CB -0.391 29.359 29.700 0.082 0.000 0.783 3015 E HN 0.217 nan 8.360 nan 0.000 0.481 3016 C N 1.979 121.298 119.300 0.032 0.000 2.271 3016 C HA 0.287 4.748 4.460 0.000 0.000 0.364 3016 C C 0.170 175.153 174.990 -0.013 0.000 1.337 3016 C CA -0.623 58.412 59.018 0.028 0.000 1.753 3016 C CB -2.104 25.661 27.740 0.041 0.000 2.123 3016 C HN 0.492 nan 8.230 nan 0.000 0.577 3017 L N 0.923 122.128 121.223 -0.030 0.000 3.829 3017 L HA -0.220 4.121 4.340 0.000 0.000 0.440 3017 L C 0.086 176.906 176.870 -0.085 0.000 1.192 3017 L CA 1.059 55.841 54.840 -0.097 0.000 0.848 3017 L CB -2.239 39.734 42.059 -0.143 0.000 1.744 3017 L HN 0.544 nan 8.230 nan 0.000 0.920 3018 N N 0.361 118.988 118.700 -0.122 0.000 2.456 3018 N HA 0.771 5.511 4.740 0.000 0.000 0.296 3018 N C -0.394 175.048 175.510 -0.115 0.000 1.102 3018 N CA -0.604 52.404 53.050 -0.071 0.000 0.924 3018 N CB 2.006 40.492 38.487 -0.002 0.000 1.186 3018 N HN -0.020 nan 8.380 nan 0.000 0.492 3019 L N 1.551 122.809 121.223 0.059 0.000 2.341 3019 L HA 0.650 4.990 4.340 0.000 0.000 0.267 3019 L C -0.034 176.998 176.870 0.270 0.000 1.009 3019 L CA -0.733 54.190 54.840 0.138 0.000 0.819 3019 L CB 1.797 43.946 42.059 0.149 0.000 1.323 3019 L HN 0.450 nan 8.230 nan 0.000 0.425 3020 L N -0.475 120.932 121.223 0.307 0.000 2.630 3020 L HA 0.965 5.305 4.340 0.000 0.000 0.258 3020 L C -1.712 175.192 176.870 0.057 0.000 1.072 3020 L CA -0.851 54.123 54.840 0.222 0.000 0.885 3020 L CB 2.318 44.555 42.059 0.296 0.000 1.502 3020 L HN 0.265 nan 8.230 nan 0.000 0.406 3021 V N 0.847 120.730 119.914 -0.052 0.000 2.876 3021 V HA 0.558 4.678 4.120 0.000 0.000 0.312 3021 V C -0.649 175.417 176.094 -0.047 0.000 1.085 3021 V CA -0.542 61.633 62.300 -0.209 0.000 0.945 3021 V CB 2.375 33.909 31.823 -0.480 0.000 1.017 3021 V HN 0.558 nan 8.190 nan 0.000 0.428 3022 V N 4.044 123.969 119.914 0.019 0.000 2.334 3022 V HA 0.397 4.517 4.120 0.000 0.000 0.281 3022 V C 0.103 176.278 176.094 0.136 0.000 1.016 3022 V CA -0.919 61.429 62.300 0.080 0.000 0.832 3022 V CB 1.320 33.250 31.823 0.179 0.000 0.999 3022 V HN 0.752 nan 8.190 nan 0.000 0.439 3023 K N 4.166 124.636 120.400 0.117 0.000 2.297 3023 K HA 0.424 4.744 4.320 0.000 0.000 0.286 3023 K C -0.963 175.729 176.600 0.154 0.000 1.053 3023 K CA -0.192 56.223 56.287 0.215 0.000 0.940 3023 K CB 0.659 33.314 32.500 0.258 0.000 1.019 3023 K HN 0.436 nan 8.250 nan 0.000 0.475 3024 F N 0.955 120.957 119.950 0.087 0.000 2.404 3024 F HA 0.201 4.728 4.527 0.000 0.000 0.358 3024 F C 1.363 177.194 175.800 0.053 0.000 1.120 3024 F CA -0.150 57.856 58.000 0.010 0.000 1.144 3024 F CB 1.562 40.538 39.000 -0.040 0.000 1.133 3024 F HN 0.727 nan 8.300 nan 0.000 0.495 3025 G N 3.321 112.135 108.800 0.023 0.000 2.744 3025 G HA2 0.137 4.097 3.960 0.000 0.000 0.211 3025 G HA3 0.137 4.097 3.960 0.000 0.000 0.211 3025 G C 0.547 175.456 174.900 0.015 0.000 1.146 3025 G CA 0.311 45.477 45.100 0.110 0.000 0.787 3025 G HN 0.493 nan 8.290 nan 0.000 0.534 3026 I N -2.618 117.952 120.570 -0.001 0.000 4.317 3026 I HA 0.548 4.718 4.170 0.000 0.000 0.230 3026 I C -0.863 175.334 176.117 0.134 0.000 1.377 3026 I CA -1.638 59.682 61.300 0.033 0.000 1.268 3026 I CB 0.407 38.393 38.000 -0.023 0.000 1.507 3026 I HN -0.303 nan 8.210 nan 0.000 0.552 3027 D N 1.652 122.115 120.400 0.105 0.000 2.217 3027 D HA 0.393 5.033 4.640 0.000 0.000 0.243 3027 D C -0.501 175.788 176.300 -0.018 0.000 1.054 3027 D CA -0.389 53.636 54.000 0.041 0.000 0.838 3027 D CB 1.995 42.808 40.800 0.022 0.000 1.162 3027 D HN 0.373 nan 8.370 nan 0.000 0.472 3028 L N 2.489 123.596 121.223 -0.193 0.000 2.667 3028 L HA -0.116 4.225 4.340 0.000 0.000 0.278 3028 L C 1.009 177.747 176.870 -0.220 0.000 1.217 3028 L CA 0.139 54.741 54.840 -0.397 0.000 0.935 3028 L CB -0.224 41.562 42.059 -0.454 0.000 1.193 3028 L HN 0.164 nan 8.230 nan 0.000 0.493 3029 N N 3.757 122.326 118.700 -0.217 0.000 2.581 3029 N HA -0.039 4.701 4.740 0.000 0.000 0.230 3029 N C 0.578 176.034 175.510 -0.090 0.000 1.310 3029 N CA 0.148 53.141 53.050 -0.096 0.000 0.886 3029 N CB -0.063 38.412 38.487 -0.019 0.000 1.205 3029 N HN 0.603 nan 8.380 nan 0.000 0.488 3030 E N -1.239 118.894 120.200 -0.112 0.000 4.027 3030 E HA -0.346 4.004 4.350 0.000 0.000 0.194 3030 E C 0.286 176.834 176.600 -0.086 0.000 1.213 3030 E CA 2.135 58.484 56.400 -0.085 0.000 2.285 3030 E CB -1.229 28.441 29.700 -0.049 0.000 1.825 3030 E HN 0.394 nan 8.360 nan 0.000 0.363 3031 D N 1.183 121.544 120.400 -0.064 0.000 2.228 3031 D HA -0.110 4.530 4.640 0.000 0.000 0.203 3031 D C 1.082 177.343 176.300 -0.065 0.000 0.988 3031 D CA 1.012 54.982 54.000 -0.049 0.000 0.864 3031 D CB -0.282 40.504 40.800 -0.023 0.000 0.928 3031 D HN 0.239 nan 8.370 nan 0.000 0.469 3032 I N 1.640 122.142 120.570 -0.114 0.000 3.129 3032 I HA -0.095 4.075 4.170 0.000 0.000 0.310 3032 I C 0.575 176.627 176.117 -0.108 0.000 1.041 3032 I CA 0.539 61.760 61.300 -0.132 0.000 2.711 3032 I CB -0.997 36.842 38.000 -0.268 0.000 1.713 3032 I HN -0.158 nan 8.210 nan 0.000 1.238 3033 K N 3.481 123.843 120.400 -0.063 0.000 2.098 3033 K HA 0.424 4.744 4.320 0.000 0.000 0.261 3033 K C -2.218 174.367 176.600 -0.024 0.000 0.987 3033 K CA -1.828 54.431 56.287 -0.048 0.000 0.916 3033 K CB 0.472 32.950 32.500 -0.036 0.000 1.039 3033 K HN -0.062 nan 8.250 nan 0.000 0.455 3034 P HA -0.100 nan 4.420 nan 0.000 0.263 3034 P C -1.040 176.265 177.300 0.009 0.000 1.168 3034 P CA 0.625 63.727 63.100 0.003 0.000 0.759 3034 P CB 0.308 32.007 31.700 -0.003 0.000 0.782 3035 R N -0.263 120.253 120.500 0.026 0.000 2.994 3035 R HA -0.078 4.262 4.340 0.000 0.000 0.267 3035 R C -0.558 175.752 176.300 0.016 0.000 0.914 3035 R CA 0.445 56.562 56.100 0.028 0.000 0.668 3035 R CB -1.980 28.334 30.300 0.025 0.000 1.524 3035 R HN 0.388 nan 8.270 nan 0.000 0.478 3036 V N -1.502 118.426 119.914 0.022 0.000 2.932 3036 V HA 0.500 4.620 4.120 0.000 0.000 0.307 3036 V C -0.121 175.990 176.094 0.028 0.000 1.147 3036 V CA -1.414 60.895 62.300 0.015 0.000 0.951 3036 V CB 1.940 33.768 31.823 0.008 0.000 1.031 3036 V HN 0.162 nan 8.190 nan 0.000 0.426 3037 L N 4.418 125.651 121.223 0.017 0.000 2.562 3037 L HA 0.384 4.724 4.340 0.000 0.000 0.271 3037 L C -0.318 176.575 176.870 0.040 0.000 1.167 3037 L CA 0.702 55.557 54.840 0.025 0.000 0.917 3037 L CB -0.286 41.776 42.059 0.006 0.000 1.187 3037 L HN 0.616 nan 8.230 nan 0.000 0.482 3038 I N 5.184 125.799 120.570 0.075 0.000 2.439 3038 I HA 0.467 4.637 4.170 0.000 0.000 0.285 3038 I C 0.010 176.187 176.117 0.099 0.000 1.021 3038 I CA -0.420 60.941 61.300 0.103 0.000 1.091 3038 I CB 1.446 39.541 38.000 0.158 0.000 1.242 3038 I HN 0.698 nan 8.210 nan 0.000 0.439 3039 A N 5.666 128.474 122.820 -0.020 0.000 2.306 3039 A HA 0.959 5.279 4.320 0.000 0.000 0.330 3039 A C -0.515 176.953 177.584 -0.193 0.000 1.146 3039 A CA -0.415 51.485 52.037 -0.228 0.000 0.827 3039 A CB 1.436 20.015 19.000 -0.701 0.000 1.178 3039 A HN 0.874 nan 8.150 nan 0.000 0.490 3040 A N 1.048 123.745 122.820 -0.204 0.000 2.480 3040 A HA 0.655 4.975 4.320 0.000 0.000 0.289 3040 A C -0.349 177.191 177.584 -0.074 0.000 1.044 3040 A CA -0.320 51.533 52.037 -0.307 0.000 0.761 3040 A CB 0.834 19.613 19.000 -0.369 0.000 1.289 3040 A HN 1.180 nan 8.150 nan 0.000 0.401 3041 S N 1.392 117.019 115.700 -0.122 0.000 2.608 3041 S HA 0.662 5.132 4.470 0.000 0.000 0.291 3041 S C -0.227 174.352 174.600 -0.034 0.000 1.146 3041 S CA -0.786 57.474 58.200 0.101 0.000 1.043 3041 S CB 0.750 64.072 63.200 0.203 0.000 1.037 3041 S HN 0.996 nan 8.310 nan 0.000 0.520 3042 N N 0.122 118.848 118.700 0.044 0.000 2.573 3042 N HA -0.123 4.617 4.740 0.000 0.000 0.275 3042 N C -1.592 173.865 175.510 -0.087 0.000 1.208 3042 N CA 0.399 53.458 53.050 0.015 0.000 0.688 3042 N CB -1.559 36.977 38.487 0.081 0.000 0.882 3042 N HN 0.584 nan 8.380 nan 0.000 0.548 3043 L N 0.463 121.640 121.223 -0.077 0.000 2.386 3043 L HA 0.455 4.796 4.340 0.000 0.000 0.271 3043 L C 0.155 177.004 176.870 -0.036 0.000 0.993 3043 L CA -0.883 53.898 54.840 -0.098 0.000 0.819 3043 L CB 1.958 43.954 42.059 -0.104 0.000 1.294 3043 L HN 0.236 nan 8.230 nan 0.000 0.414 3044 Q N 1.401 121.214 119.800 0.022 0.000 2.256 3044 Q HA 0.348 4.689 4.340 0.000 0.000 0.257 3044 Q C -0.475 175.571 176.000 0.077 0.000 0.936 3044 Q CA -0.643 55.204 55.803 0.073 0.000 0.903 3044 Q CB 2.570 31.407 28.738 0.165 0.000 1.263 3044 Q HN 0.654 nan 8.270 nan 0.000 0.440 3045 C N 2.635 121.953 119.300 0.029 0.000 2.689 3045 C HA 0.150 4.610 4.460 0.000 0.000 0.409 3045 C C -0.249 174.750 174.990 0.016 0.000 1.293 3045 C CA 0.063 59.090 59.018 0.015 0.000 2.136 3045 C CB 0.133 27.872 27.740 -0.002 0.000 2.719 3045 C HN 0.710 nan 8.230 nan 0.000 0.644 3046 Q N 3.021 122.824 119.800 0.006 0.000 2.416 3046 Q HA 0.537 4.877 4.340 0.000 0.000 0.279 3046 Q C -2.225 173.772 176.000 -0.005 0.000 1.101 3046 Q CA -1.428 54.367 55.803 -0.014 0.000 0.830 3046 Q CB 1.161 29.887 28.738 -0.021 0.000 1.402 3046 Q HN 0.613 nan 8.270 nan 0.000 0.445 3047 P HA -0.023 nan 4.420 nan 0.000 0.272 3047 P C -0.508 176.794 177.300 0.004 0.000 1.254 3047 P CA 0.011 63.111 63.100 0.000 0.000 0.795 3047 P CB 0.415 32.115 31.700 0.000 0.000 1.022 3048 E N -0.501 119.703 120.200 0.007 0.000 2.291 3048 E HA -0.151 4.199 4.350 0.000 0.000 0.181 3048 E C -0.219 176.391 176.600 0.017 0.000 1.480 3048 E CA 0.451 56.858 56.400 0.012 0.000 0.674 3048 E CB -1.191 28.517 29.700 0.014 0.000 1.108 3048 E HN 0.343 nan 8.360 nan 0.000 0.357 3049 S N -0.574 115.135 115.700 0.016 0.000 2.298 3049 S HA 0.250 4.720 4.470 0.000 0.000 0.245 3049 S C 0.311 174.927 174.600 0.026 0.000 1.230 3049 S CA 0.212 58.425 58.200 0.021 0.000 1.009 3049 S CB 0.459 63.669 63.200 0.016 0.000 1.019 3049 S HN 0.452 nan 8.310 nan 0.000 0.459 3050 T N 1.934 116.506 114.554 0.030 0.000 3.433 3050 T HA -0.112 4.238 4.350 0.000 0.000 0.412 3050 T C 0.139 174.860 174.700 0.035 0.000 0.768 3050 T CA 0.889 63.009 62.100 0.032 0.000 2.077 3050 T CB -1.886 66.996 68.868 0.024 0.000 1.700 3050 T HN 0.791 nan 8.240 nan 0.000 0.666 3051 S N -1.690 114.036 115.700 0.044 0.000 2.952 3051 S HA 0.486 4.956 4.470 0.000 0.000 0.238 3051 S C 1.537 176.172 174.600 0.059 0.000 0.780 3051 S CA 0.251 58.479 58.200 0.046 0.000 1.150 3051 S CB 0.250 63.475 63.200 0.042 0.000 1.320 3051 S HN 1.860 nan 8.310 nan 0.000 0.540 3052 G N 1.230 110.070 108.800 0.066 0.000 2.413 3052 G HA2 -0.325 3.635 3.960 0.000 0.000 0.259 3052 G HA3 -0.325 3.635 3.960 0.000 0.000 0.259 3052 G C 0.433 175.394 174.900 0.102 0.000 1.003 3052 G CA 0.579 45.727 45.100 0.081 0.000 0.629 3052 G HN 1.627 nan 8.290 nan 0.000 0.548 3053 V N 3.304 123.274 119.914 0.094 0.000 2.192 3053 V HA 0.579 4.699 4.120 0.000 0.000 0.264 3053 V C -1.227 174.911 176.094 0.074 0.000 1.155 3053 V CA -1.782 60.580 62.300 0.104 0.000 1.005 3053 V CB 0.757 32.647 31.823 0.111 0.000 1.201 3053 V HN 0.180 nan 8.190 nan 0.000 0.468 3054 P HA 0.329 nan 4.420 nan 0.000 0.285 3054 P C -0.550 176.767 177.300 0.028 0.000 1.282 3054 P CA 0.118 63.250 63.100 0.053 0.000 0.778 3054 P CB 0.406 32.147 31.700 0.069 0.000 1.222 3055 T N -0.233 114.330 114.554 0.016 0.000 3.634 3055 T HA 0.293 4.643 4.350 0.000 0.000 0.319 3055 T C -0.262 174.453 174.700 0.025 0.000 0.773 3055 T CA -0.442 61.666 62.100 0.013 0.000 1.085 3055 T CB -0.328 68.549 68.868 0.015 0.000 1.025 3055 T HN 0.106 nan 8.240 nan 0.000 0.483 3056 L N 1.953 123.190 121.223 0.023 0.000 2.479 3056 L HA 0.755 5.095 4.340 0.000 0.000 0.249 3056 L C -0.322 176.613 176.870 0.108 0.000 1.178 3056 L CA -0.970 53.889 54.840 0.032 0.000 0.811 3056 L CB 0.722 42.772 42.059 -0.015 0.000 1.187 3056 L HN 0.617 nan 8.230 nan 0.000 0.480 3057 F N 0.319 120.212 119.950 -0.095 0.000 2.630 3057 F HA 0.604 5.132 4.527 0.000 0.000 0.325 3057 F C -0.687 175.012 175.800 -0.169 0.000 1.184 3057 F CA -0.690 57.235 58.000 -0.125 0.000 1.011 3057 F CB 1.176 40.124 39.000 -0.086 0.000 1.268 3057 F HN 0.377 nan 8.300 nan 0.000 0.480 3058 A N 4.693 126.940 122.820 -0.954 0.000 2.279 3058 A HA 0.680 5.000 4.320 0.000 0.000 0.306 3058 A C 0.266 177.152 177.584 -1.163 0.000 1.300 3058 A CA 0.310 51.792 52.037 -0.925 0.000 0.925 3058 A CB -0.124 18.307 19.000 -0.947 0.000 1.152 3058 A HN 1.130 nan 8.150 nan 0.000 0.544 3059 G N 0.120 108.396 108.800 -0.873 0.000 2.736 3059 G HA2 0.364 4.324 3.960 0.000 0.000 0.229 3059 G HA3 0.364 4.324 3.960 0.000 0.000 0.229 3059 G C 0.650 175.324 174.900 -0.377 0.000 1.380 3059 G CA -0.210 44.508 45.100 -0.637 0.000 1.040 3059 G HN 0.724 nan 8.290 nan 0.000 0.568 3060 H N -0.825 118.170 119.070 -0.126 0.000 2.423 3060 H HA 0.001 4.557 4.556 0.000 0.000 0.297 3060 H C 1.767 176.901 175.328 -0.324 0.000 1.075 3060 H CA 1.080 56.984 56.048 -0.240 0.000 1.342 3060 H CB 0.073 29.594 29.762 -0.402 0.000 1.395 3060 H HN 0.321 nan 8.280 nan 0.000 0.530 3061 F N 1.006 120.965 119.950 0.014 0.000 2.773 3061 F HA 0.105 4.632 4.527 0.000 0.000 0.304 3061 F C 0.986 176.785 175.800 -0.001 0.000 1.129 3061 F CA -0.153 57.855 58.000 0.013 0.000 1.378 3061 F CB 0.100 39.031 39.000 -0.115 0.000 1.095 3061 F HN -0.208 nan 8.300 nan 0.000 0.565 3062 S N 2.241 117.970 115.700 0.048 0.000 2.531 3062 S HA 0.344 4.815 4.470 0.000 0.000 0.279 3062 S C 0.142 174.715 174.600 -0.045 0.000 1.305 3062 S CA -0.300 57.853 58.200 -0.079 0.000 1.058 3062 S CB 0.869 63.980 63.200 -0.148 0.000 0.899 3062 S HN -0.048 nan 8.310 nan 0.000 0.493 3063 I N 2.151 122.616 120.570 -0.176 0.000 2.910 3063 I HA 0.645 4.816 4.170 0.000 0.000 0.310 3063 I C -0.336 175.596 176.117 -0.309 0.000 1.043 3063 I CA -1.044 60.221 61.300 -0.058 0.000 1.053 3063 I CB 0.938 38.947 38.000 0.014 0.000 1.242 3063 I HN 0.509 nan 8.210 nan 0.000 0.452 3064 F N 0.515 120.482 119.950 0.028 0.000 2.685 3064 F HA 0.641 5.168 4.527 0.000 0.000 0.315 3064 F C 0.010 175.792 175.800 -0.030 0.000 1.126 3064 F CA -0.556 57.450 58.000 0.009 0.000 0.950 3064 F CB 2.051 41.092 39.000 0.068 0.000 1.360 3064 F HN 0.470 nan 8.300 nan 0.000 0.469 3065 S N -0.352 115.447 115.700 0.164 0.000 2.606 3065 S HA 0.564 5.034 4.470 0.000 0.000 0.290 3065 S C -0.391 174.215 174.600 0.009 0.000 1.103 3065 S CA 0.072 58.298 58.200 0.043 0.000 0.870 3065 S CB 1.014 64.188 63.200 -0.042 0.000 1.077 3065 S HN 1.064 nan 8.310 nan 0.000 0.448 3066 A N 2.357 125.180 122.820 0.007 0.000 2.132 3066 A HA 0.493 4.814 4.320 0.000 0.000 0.213 3066 A C 1.121 178.692 177.584 -0.022 0.000 1.154 3066 A CA 0.973 53.009 52.037 -0.003 0.000 0.753 3066 A CB -0.093 18.907 19.000 0.000 0.000 0.826 3066 A HN 1.250 nan 8.150 nan 0.000 0.469 3067 S N 1.140 116.819 115.700 -0.034 0.000 2.512 3067 S HA 0.344 4.814 4.470 0.000 0.000 0.161 3067 S C -2.914 171.650 174.600 -0.061 0.000 1.383 3067 S CA -1.127 57.050 58.200 -0.039 0.000 1.248 3067 S CB 0.339 63.527 63.200 -0.020 0.000 1.488 3067 S HN 0.303 nan 8.310 nan 0.000 0.382 3068 P HA 0.292 nan 4.420 nan 0.000 0.271 3068 P C 0.151 177.401 177.300 -0.084 0.000 1.216 3068 P CA -0.276 62.726 63.100 -0.163 0.000 0.771 3068 P CB 1.011 32.475 31.700 -0.393 0.000 0.864 3069 K N 1.407 121.785 120.400 -0.037 0.000 2.354 3069 K HA 0.105 4.425 4.320 0.000 0.000 0.194 3069 K C 0.362 176.994 176.600 0.053 0.000 1.045 3069 K CA 0.211 56.506 56.287 0.012 0.000 1.026 3069 K CB 0.193 32.708 32.500 0.025 0.000 0.866 3069 K HN 0.546 nan 8.250 nan 0.000 0.530 3070 E N 0.064 120.303 120.200 0.064 0.000 2.537 3070 E HA -0.101 4.249 4.350 0.000 0.000 0.269 3070 E C 0.954 177.673 176.600 0.199 0.000 1.038 3070 E CA 0.294 56.801 56.400 0.178 0.000 0.977 3070 E CB 0.520 30.369 29.700 0.248 0.000 0.973 3070 E HN 0.180 nan 8.360 nan 0.000 0.456 3071 A N 2.915 125.915 122.820 0.300 0.000 1.839 3071 A HA -0.192 4.128 4.320 0.000 0.000 0.213 3071 A C 1.913 179.656 177.584 0.264 0.000 1.274 3071 A CA 1.613 53.807 52.037 0.263 0.000 0.608 3071 A CB -1.335 17.812 19.000 0.247 0.000 0.920 3071 A HN 0.900 nan 8.150 nan 0.000 0.465 3072 Y N -2.139 118.186 120.300 0.041 0.000 2.240 3072 Y HA -0.360 4.191 4.550 0.000 0.000 0.278 3072 Y C 1.942 177.777 175.900 -0.108 0.000 1.247 3072 Y CA 1.733 59.789 58.100 -0.073 0.000 1.183 3072 Y CB -1.026 37.319 38.460 -0.192 0.000 0.956 3072 Y HN 0.204 nan 8.280 nan 0.000 0.533 3073 F N 0.241 119.975 119.950 -0.360 0.000 2.118 3073 F HA -0.116 4.411 4.527 0.000 0.000 0.293 3073 F C 2.709 178.449 175.800 -0.100 0.000 1.102 3073 F CA 1.414 59.231 58.000 -0.304 0.000 1.247 3073 F CB -0.857 37.901 39.000 -0.403 0.000 1.017 3073 F HN -0.011 nan 8.300 nan 0.000 0.475 3074 Q N 0.895 120.778 119.800 0.139 0.000 2.226 3074 Q HA -0.335 4.006 4.340 0.000 0.000 0.220 3074 Q C 1.815 177.870 176.000 0.091 0.000 1.037 3074 Q CA 2.513 58.376 55.803 0.099 0.000 0.940 3074 Q CB -0.504 28.289 28.738 0.091 0.000 1.037 3074 Q HN 0.544 nan 8.270 nan 0.000 0.420 3075 E N -1.017 119.237 120.200 0.090 0.000 2.004 3075 E HA -0.176 4.174 4.350 0.000 0.000 0.193 3075 E C 1.683 178.346 176.600 0.105 0.000 0.985 3075 E CA 1.014 57.471 56.400 0.094 0.000 0.832 3075 E CB -0.233 29.525 29.700 0.095 0.000 0.787 3075 E HN 0.123 nan 8.360 nan 0.000 0.466 3076 K N 0.381 120.844 120.400 0.105 0.000 2.385 3076 K HA -0.193 4.127 4.320 0.000 0.000 0.202 3076 K C 1.603 178.282 176.600 0.133 0.000 1.044 3076 K CA 1.195 57.555 56.287 0.123 0.000 0.933 3076 K CB -0.482 32.063 32.500 0.074 0.000 0.744 3076 K HN 0.160 nan 8.250 nan 0.000 0.479 3077 V N -0.476 119.512 119.914 0.125 0.000 2.492 3077 V HA -0.056 4.064 4.120 0.000 0.000 0.241 3077 V C 1.271 177.415 176.094 0.083 0.000 1.041 3077 V CA 1.491 63.856 62.300 0.108 0.000 1.057 3077 V CB -0.279 31.603 31.823 0.099 0.000 0.711 3077 V HN 0.362 nan 8.190 nan 0.000 0.468 3078 N N 1.178 119.927 118.700 0.082 0.000 2.272 3078 N HA -0.175 4.565 4.740 0.000 0.000 0.185 3078 N C 1.629 177.216 175.510 0.127 0.000 1.014 3078 N CA 2.065 55.160 53.050 0.074 0.000 0.870 3078 N CB -0.424 38.110 38.487 0.078 0.000 0.975 3078 N HN 0.649 nan 8.380 nan 0.000 0.433 3079 N N -0.519 118.265 118.700 0.141 0.000 2.106 3079 N HA -0.103 4.637 4.740 0.000 0.000 0.188 3079 N C 1.218 176.812 175.510 0.139 0.000 1.029 3079 N CA 0.612 53.755 53.050 0.156 0.000 0.848 3079 N CB -0.024 38.537 38.487 0.123 0.000 1.007 3079 N HN 0.090 nan 8.380 nan 0.000 0.423 3080 L N 1.244 122.524 121.223 0.096 0.000 2.418 3080 L HA 0.066 4.406 4.340 0.000 0.000 0.218 3080 L C 1.621 178.488 176.870 -0.005 0.000 1.125 3080 L CA 1.340 56.208 54.840 0.046 0.000 0.835 3080 L CB -0.215 41.874 42.059 0.049 0.000 0.953 3080 L HN -0.108 nan 8.230 nan 0.000 0.454 3081 K N -1.725 118.686 120.400 0.020 0.000 2.486 3081 K HA -0.086 4.234 4.320 0.000 0.000 0.194 3081 K C 1.902 178.472 176.600 -0.050 0.000 1.033 3081 K CA 0.848 57.117 56.287 -0.030 0.000 1.004 3081 K CB -0.291 32.195 32.500 -0.023 0.000 0.798 3081 K HN 0.410 nan 8.250 nan 0.000 0.495 3082 H N -0.293 118.743 119.070 -0.058 0.000 2.266 3082 H HA 0.111 4.667 4.556 0.000 0.000 0.308 3082 H C 1.183 176.458 175.328 -0.088 0.000 1.057 3082 H CA 1.771 57.790 56.048 -0.047 0.000 1.330 3082 H CB -0.168 29.587 29.762 -0.012 0.000 1.400 3082 H HN 0.233 nan 8.280 nan 0.000 0.503 3083 A N 0.548 123.395 122.820 0.046 0.000 2.272 3083 A HA -0.048 4.272 4.320 0.000 0.000 0.213 3083 A C 2.261 179.625 177.584 -0.366 0.000 1.183 3083 A CA 0.777 52.749 52.037 -0.109 0.000 0.719 3083 A CB -0.753 18.187 19.000 -0.099 0.000 0.771 3083 A HN 0.418 nan 8.150 nan 0.000 0.484 3084 I N -1.044 119.359 120.570 -0.278 0.000 3.339 3084 I HA -0.043 4.127 4.170 0.000 0.000 0.285 3084 I C 1.833 177.878 176.117 -0.120 0.000 1.201 3084 I CA 0.842 61.991 61.300 -0.251 0.000 1.434 3084 I CB 0.017 37.892 38.000 -0.208 0.000 1.152 3084 I HN 0.537 nan 8.210 nan 0.000 0.443 3085 E N 0.754 120.895 120.200 -0.099 0.000 2.451 3085 E HA 0.079 4.429 4.350 0.000 0.000 0.194 3085 E C 0.699 177.272 176.600 -0.045 0.000 1.027 3085 E CA -0.114 56.238 56.400 -0.080 0.000 0.914 3085 E CB 0.037 29.665 29.700 -0.120 0.000 1.054 3085 E HN 0.538 nan 8.360 nan 0.000 0.461 3086 N N 0.933 119.632 118.700 -0.002 0.000 2.336 3086 N HA 0.081 4.821 4.740 0.000 0.000 0.191 3086 N C 1.579 177.126 175.510 0.062 0.000 1.266 3086 N CA -0.109 52.976 53.050 0.058 0.000 1.082 3086 N CB 0.170 38.735 38.487 0.131 0.000 1.349 3086 N HN 0.004 nan 8.380 nan 0.000 0.442 3087 I N 0.693 121.322 120.570 0.099 0.000 2.076 3087 I HA -0.224 3.946 4.170 0.000 0.000 0.237 3087 I C 1.261 177.442 176.117 0.106 0.000 1.059 3087 I CA 1.687 63.065 61.300 0.131 0.000 1.317 3087 I CB -0.474 37.658 38.000 0.221 0.000 1.037 3087 I HN 0.551 nan 8.210 nan 0.000 0.398 3088 D N -1.025 119.431 120.400 0.092 0.000 2.382 3088 D HA -0.216 4.424 4.640 0.000 0.000 0.163 3088 D C 1.316 177.678 176.300 0.102 0.000 1.469 3088 D CA 2.027 56.057 54.000 0.049 0.000 1.338 3088 D CB -0.918 39.891 40.800 0.015 0.000 1.241 3088 D HN 0.392 nan 8.370 nan 0.000 0.441 3089 T N -0.956 113.679 114.554 0.134 0.000 3.053 3089 T HA 0.065 4.415 4.350 0.000 0.000 0.223 3089 T C 1.509 176.316 174.700 0.179 0.000 1.015 3089 T CA 0.792 62.977 62.100 0.141 0.000 1.655 3089 T CB -0.892 68.061 68.868 0.141 0.000 1.279 3089 T HN 0.191 nan 8.240 nan 0.000 0.431 3090 F N 0.998 120.993 119.950 0.075 0.000 2.724 3090 F HA 0.070 4.597 4.527 0.000 0.000 0.297 3090 F C 1.381 177.214 175.800 0.056 0.000 1.200 3090 F CA -0.209 57.822 58.000 0.051 0.000 1.468 3090 F CB -0.305 38.712 39.000 0.029 0.000 1.116 3090 F HN 0.224 nan 8.300 nan 0.000 0.599 3091 Y N 0.754 121.041 120.300 -0.023 0.000 2.769 3091 Y HA -0.050 4.500 4.550 0.000 0.000 0.230 3091 Y C 2.376 178.187 175.900 -0.149 0.000 0.966 3091 Y CA 1.371 59.432 58.100 -0.065 0.000 0.993 3091 Y CB -0.736 37.724 38.460 0.001 0.000 1.064 3091 Y HN -0.175 nan 8.280 nan 0.000 0.468 3092 K N 0.351 120.946 120.400 0.325 0.000 2.169 3092 K HA -0.373 3.947 4.320 0.000 0.000 0.213 3092 K C 2.098 178.651 176.600 -0.078 0.000 1.050 3092 K CA 2.312 58.684 56.287 0.142 0.000 0.935 3092 K CB -0.330 32.250 32.500 0.132 0.000 0.722 3092 K HN 0.549 nan 8.250 nan 0.000 0.468 3093 E N 0.060 120.171 120.200 -0.149 0.000 2.051 3093 E HA -0.203 4.147 4.350 0.000 0.000 0.192 3093 E C 2.015 178.400 176.600 -0.359 0.000 0.991 3093 E CA 1.110 57.374 56.400 -0.228 0.000 0.799 3093 E CB -0.058 29.501 29.700 -0.235 0.000 0.748 3093 E HN 0.393 nan 8.360 nan 0.000 0.449 3094 A N 1.441 123.901 122.820 -0.600 0.000 1.902 3094 A HA -0.197 4.123 4.320 0.000 0.000 0.217 3094 A C 1.927 179.301 177.584 -0.349 0.000 1.181 3094 A CA 1.531 53.205 52.037 -0.605 0.000 0.623 3094 A CB -0.450 18.069 19.000 -0.802 0.000 0.818 3094 A HN 0.250 nan 8.150 nan 0.000 0.443 3095 E N 0.895 120.888 120.200 -0.346 0.000 2.070 3095 E HA -0.232 4.118 4.350 0.000 0.000 0.197 3095 E C 1.814 178.323 176.600 -0.153 0.000 1.004 3095 E CA 1.633 57.891 56.400 -0.237 0.000 0.805 3095 E CB -0.575 29.009 29.700 -0.194 0.000 0.744 3095 E HN 0.711 nan 8.360 nan 0.000 0.451 3096 K N 0.728 121.040 120.400 -0.148 0.000 2.044 3096 K HA -0.132 4.189 4.320 0.000 0.000 0.210 3096 K C 2.183 178.713 176.600 -0.116 0.000 1.049 3096 K CA 1.075 57.292 56.287 -0.116 0.000 0.927 3096 K CB -0.071 32.364 32.500 -0.108 0.000 0.713 3096 K HN -0.058 nan 8.250 nan 0.000 0.443 3097 K N 0.859 121.175 120.400 -0.140 0.000 2.097 3097 K HA -0.082 4.239 4.320 0.000 0.000 0.205 3097 K C 2.071 178.620 176.600 -0.084 0.000 1.050 3097 K CA 0.628 56.851 56.287 -0.106 0.000 0.938 3097 K CB -0.357 32.073 32.500 -0.117 0.000 0.718 3097 K HN 0.122 nan 8.250 nan 0.000 0.442 3098 L N 1.490 122.654 121.223 -0.099 0.000 1.961 3098 L HA -0.180 4.161 4.340 0.000 0.000 0.210 3098 L C 2.366 179.209 176.870 -0.045 0.000 1.072 3098 L CA 1.516 56.317 54.840 -0.066 0.000 0.749 3098 L CB -1.106 40.907 42.059 -0.078 0.000 0.889 3098 L HN 0.076 nan 8.230 nan 0.000 0.432 3099 I N 0.092 120.631 120.570 -0.052 0.000 2.208 3099 I HA -0.283 3.887 4.170 0.000 0.000 0.245 3099 I C 2.873 178.938 176.117 -0.086 0.000 1.097 3099 I CA 2.308 63.577 61.300 -0.053 0.000 1.363 3099 I CB -0.961 36.992 38.000 -0.079 0.000 1.051 3099 I HN 0.500 nan 8.210 nan 0.000 0.413 3100 H N -0.454 118.561 119.070 -0.092 0.000 2.390 3100 H HA -0.056 4.500 4.556 0.000 0.000 0.298 3100 H C 2.187 177.482 175.328 -0.056 0.000 1.106 3100 H CA 2.952 58.949 56.048 -0.085 0.000 1.297 3100 H CB -1.458 28.259 29.762 -0.075 0.000 1.375 3100 H HN 0.519 nan 8.280 nan 0.000 0.509 3101 V N 1.012 120.902 119.914 -0.040 0.000 2.407 3101 V HA 0.044 4.164 4.120 0.000 0.000 0.245 3101 V C 2.660 178.748 176.094 -0.010 0.000 1.041 3101 V CA 1.599 63.886 62.300 -0.021 0.000 1.040 3101 V CB -0.552 31.262 31.823 -0.015 0.000 0.671 3101 V HN 0.659 nan 8.190 nan 0.000 0.455 3102 L N 0.388 121.609 121.223 -0.004 0.000 2.447 3102 L HA -0.053 4.287 4.340 0.000 0.000 0.225 3102 L C 1.214 178.095 176.870 0.018 0.000 1.148 3102 L CA 0.461 55.312 54.840 0.018 0.000 0.808 3102 L CB -0.955 41.128 42.059 0.041 0.000 0.928 3102 L HN 0.563 nan 8.230 nan 0.000 0.448 3103 E N 0.000 120.197 120.200 -0.005 0.000 2.725 3103 E HA 0.000 4.350 4.350 0.000 0.000 0.291 3103 E CA 0.000 56.396 56.400 -0.006 0.000 0.976 3103 E CB 0.000 29.675 29.700 -0.042 0.000 0.812 3103 E HN 0.000 nan 8.360 nan 0.000 0.440