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 1iyj_1_D DATA FIRST_RESID 2403 DATA SEQUENCE FPQFNKDLMS SLQNARDLQD IRIKNKERHH LCPQPGSLYL TKSSTLPRIS DATA SEQUENCE LQAAVGDSVP SACSPKQLYM YGVSKACISV NSKNAEYFQF AIEDHFGKEA DATA SEQUENCE LCAGKGFRLA DGGWLIPSDD GKAGKEEFYR ALCDTPGVDP KLISSVWVSN DATA SEQUENCE HYRWIVWKLA AMEFAFPKEF ANRCLNPERV LLQLKYRYDV EIDNSSRSAL DATA SEQUENCE KKILERDDTA AKTLVLCVSD IISLSXXXXX XXXXXXXXXX XXKVDTIELT DATA SEQUENCE DGWYAVKAQL DPPLLALVKS GRLTVGQKII TQGAELVGSP DACAPLEAPD DATA SEQUENCE SLRLKISANS TRPARWHSKL GFFHDPRPFP LPLSSLFSDG GNVGCVDVIV DATA SEQUENCE QRVYPLQWVE KTVSGSYIFR NEREEEKEAL RFXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXS RDVSTVWKLR DATA SEQUENCE VTSYKKREKS ALLSIWRPSS DLPSLLTEGQ RYRIYHLSVS KSKNKFEWPS DATA SEQUENCE IQLTATKRTQ YQQLPVSSET LLQLYQPREL LPFSKLSDPA FQPPCSEVDV DATA SEQUENCE VGVVVSVVKP IGLAPLVYLS DECLHLLVVK FGIDLNEDIK PRVLIAASNL DATA SEQUENCE QWRPESTSRV PTLFAGNFSV FSASPKEAHF QERVTNMKHA IENIDTFYKE DATA SEQUENCE AEKKLIQVLK GDSPK 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 2403 F HA 0.000 nan 4.527 nan 0.000 0.279 2403 F C 0.000 175.827 175.800 0.045 0.000 0.967 2403 F CA 0.000 58.044 58.000 0.073 0.000 1.383 2403 F CB 0.000 39.042 39.000 0.071 0.000 1.145 2404 P HA 0.014 nan 4.420 nan 0.000 0.263 2404 P C -0.861 176.312 177.300 -0.211 0.000 1.162 2404 P CA 0.285 63.235 63.100 -0.251 0.000 0.758 2404 P CB 0.378 31.868 31.700 -0.350 0.000 0.773 2405 Q N 0.837 120.577 119.800 -0.099 0.000 3.179 2405 Q HA 0.306 4.646 4.340 0.000 0.000 0.328 2405 Q C -0.162 175.793 176.000 -0.074 0.000 1.336 2405 Q CA 0.023 55.791 55.803 -0.059 0.000 0.939 2405 Q CB -1.304 27.419 28.738 -0.025 0.000 1.658 2405 Q HN 0.382 nan 8.270 nan 0.000 0.486 2406 F N 1.113 120.993 119.950 -0.117 0.000 2.300 2406 F HA 0.407 4.934 4.527 0.000 0.000 0.364 2406 F C 1.014 176.772 175.800 -0.070 0.000 1.090 2406 F CA -1.327 56.613 58.000 -0.100 0.000 1.200 2406 F CB 0.324 39.241 39.000 -0.139 0.000 1.493 2406 F HN 0.466 nan 8.300 nan 0.000 0.518 2407 N N 1.165 119.842 118.700 -0.040 0.000 2.493 2407 N HA -0.146 4.594 4.740 0.000 0.000 0.191 2407 N C 0.522 176.020 175.510 -0.021 0.000 1.041 2407 N CA 1.766 54.804 53.050 -0.020 0.000 0.904 2407 N CB 0.094 38.573 38.487 -0.013 0.000 0.948 2407 N HN 0.586 nan 8.380 nan 0.000 0.446 2408 K N -1.365 119.014 120.400 -0.034 0.000 2.469 2408 K HA 0.254 4.574 4.320 0.000 0.000 0.268 2408 K C 0.043 176.615 176.600 -0.047 0.000 1.027 2408 K CA -0.394 55.874 56.287 -0.032 0.000 0.893 2408 K CB 1.340 33.823 32.500 -0.028 0.000 1.460 2408 K HN -0.142 nan 8.250 nan 0.000 0.449 2409 D N -0.410 119.964 120.400 -0.043 0.000 4.365 2409 D HA -0.291 4.349 4.640 0.000 0.000 0.198 2409 D C 1.256 177.518 176.300 -0.064 0.000 0.997 2409 D CA 2.089 56.057 54.000 -0.053 0.000 2.182 2409 D CB -1.022 39.742 40.800 -0.060 0.000 1.147 2409 D HN 0.450 nan 8.370 nan 0.000 0.409 2410 L N 0.388 121.553 121.223 -0.096 0.000 2.129 2410 L HA -0.089 4.251 4.340 0.000 0.000 0.212 2410 L C 2.155 178.999 176.870 -0.043 0.000 1.087 2410 L CA 2.076 56.834 54.840 -0.136 0.000 0.757 2410 L CB -0.337 41.546 42.059 -0.293 0.000 0.896 2410 L HN 0.282 nan 8.230 nan 0.000 0.434 2411 M N -1.300 118.286 119.600 -0.023 0.000 2.557 2411 M HA -0.002 4.478 4.480 0.000 0.000 0.259 2411 M C 2.139 178.444 176.300 0.007 0.000 1.086 2411 M CA 1.236 56.550 55.300 0.023 0.000 1.096 2411 M CB -1.275 31.332 32.600 0.012 0.000 1.424 2411 M HN 0.630 nan 8.290 nan 0.000 0.488 2412 S N -0.258 115.432 115.700 -0.016 0.000 2.620 2412 S HA -0.016 4.454 4.470 0.000 0.000 0.234 2412 S C 1.988 176.567 174.600 -0.035 0.000 1.064 2412 S CA 0.637 58.822 58.200 -0.025 0.000 0.920 2412 S CB -0.598 62.583 63.200 -0.032 0.000 0.826 2412 S HN 0.459 nan 8.310 nan 0.000 0.557 2413 S N 3.459 119.133 115.700 -0.043 0.000 2.399 2413 S HA -0.204 4.266 4.470 0.000 0.000 0.235 2413 S C 1.817 176.381 174.600 -0.059 0.000 1.063 2413 S CA 1.791 59.956 58.200 -0.058 0.000 1.070 2413 S CB -1.322 61.840 63.200 -0.064 0.000 0.904 2413 S HN 0.557 nan 8.310 nan 0.000 0.456 2414 L N 0.570 121.778 121.223 -0.026 0.000 1.971 2414 L HA -0.051 4.289 4.340 0.000 0.000 0.208 2414 L C 2.992 179.833 176.870 -0.048 0.000 1.083 2414 L CA 1.571 56.395 54.840 -0.026 0.000 0.753 2414 L CB -1.110 40.971 42.059 0.036 0.000 0.893 2414 L HN 0.302 nan 8.230 nan 0.000 0.436 2415 Q N 0.890 120.673 119.800 -0.028 0.000 2.294 2415 Q HA -0.300 4.040 4.340 0.000 0.000 0.215 2415 Q C 1.679 177.646 176.000 -0.055 0.000 1.000 2415 Q CA 2.498 58.280 55.803 -0.036 0.000 0.916 2415 Q CB -0.483 28.241 28.738 -0.024 0.000 0.932 2415 Q HN 0.480 nan 8.270 nan 0.000 0.420 2416 N N -1.170 117.492 118.700 -0.064 0.000 2.148 2416 N HA -0.009 4.731 4.740 0.000 0.000 0.186 2416 N C 1.452 176.896 175.510 -0.109 0.000 1.031 2416 N CA 1.702 54.705 53.050 -0.080 0.000 0.848 2416 N CB -0.619 37.821 38.487 -0.079 0.000 1.005 2416 N HN 0.268 nan 8.380 nan 0.000 0.427 2417 A N 0.902 123.644 122.820 -0.131 0.000 1.958 2417 A HA -0.218 4.102 4.320 0.000 0.000 0.221 2417 A C 2.168 179.645 177.584 -0.179 0.000 1.178 2417 A CA 1.461 53.385 52.037 -0.190 0.000 0.642 2417 A CB -0.604 18.273 19.000 -0.205 0.000 0.816 2417 A HN 0.405 nan 8.150 nan 0.000 0.453 2418 R N 0.142 120.566 120.500 -0.127 0.000 2.089 2418 R HA -0.125 4.215 4.340 0.000 0.000 0.222 2418 R C 1.902 178.139 176.300 -0.105 0.000 1.151 2418 R CA 1.645 57.680 56.100 -0.108 0.000 0.908 2418 R CB -0.893 29.360 30.300 -0.078 0.000 0.813 2418 R HN 0.682 nan 8.270 nan 0.000 0.440 2419 D N 1.105 121.454 120.400 -0.086 0.000 2.239 2419 D HA -0.218 4.423 4.640 0.000 0.000 0.202 2419 D C 1.874 178.119 176.300 -0.091 0.000 0.993 2419 D CA 0.864 54.817 54.000 -0.078 0.000 0.874 2419 D CB -0.371 40.392 40.800 -0.063 0.000 0.922 2419 D HN 0.192 nan 8.370 nan 0.000 0.464 2420 L N -0.349 120.807 121.223 -0.112 0.000 2.046 2420 L HA -0.258 4.082 4.340 0.000 0.000 0.208 2420 L C 2.612 179.399 176.870 -0.137 0.000 1.077 2420 L CA 1.594 56.358 54.840 -0.127 0.000 0.747 2420 L CB -0.283 41.679 42.059 -0.162 0.000 0.896 2420 L HN 0.128 nan 8.230 nan 0.000 0.432 2421 Q N -0.610 119.096 119.800 -0.157 0.000 2.079 2421 Q HA -0.244 4.096 4.340 0.000 0.000 0.200 2421 Q C 1.657 177.594 176.000 -0.104 0.000 0.974 2421 Q CA 1.722 57.437 55.803 -0.146 0.000 0.840 2421 Q CB -0.072 28.575 28.738 -0.152 0.000 0.898 2421 Q HN 0.493 nan 8.270 nan 0.000 0.430 2422 D N 0.668 121.009 120.400 -0.097 0.000 2.239 2422 D HA -0.190 4.450 4.640 0.000 0.000 0.202 2422 D C 1.834 178.090 176.300 -0.073 0.000 0.993 2422 D CA 1.232 55.182 54.000 -0.083 0.000 0.874 2422 D CB -0.087 40.670 40.800 -0.072 0.000 0.922 2422 D HN 0.436 nan 8.370 nan 0.000 0.464 2423 I N 0.359 120.885 120.570 -0.074 0.000 2.193 2423 I HA -0.193 3.977 4.170 0.000 0.000 0.240 2423 I C 2.578 178.659 176.117 -0.059 0.000 1.084 2423 I CA 0.619 61.881 61.300 -0.063 0.000 1.365 2423 I CB -0.210 37.753 38.000 -0.062 0.000 1.064 2423 I HN -0.120 nan 8.210 nan 0.000 0.410 2424 R N 1.075 121.537 120.500 -0.062 0.000 2.143 2424 R HA -0.227 4.113 4.340 0.000 0.000 0.239 2424 R C 2.334 178.609 176.300 -0.042 0.000 1.126 2424 R CA 2.021 58.095 56.100 -0.043 0.000 0.927 2424 R CB -0.679 29.596 30.300 -0.043 0.000 0.860 2424 R HN 0.315 nan 8.270 nan 0.000 0.433 2425 I N 0.683 121.220 120.570 -0.054 0.000 2.151 2425 I HA -0.337 3.833 4.170 0.000 0.000 0.243 2425 I C 2.513 178.591 176.117 -0.065 0.000 1.080 2425 I CA 1.395 62.658 61.300 -0.061 0.000 1.339 2425 I CB -0.331 37.618 38.000 -0.084 0.000 1.039 2425 I HN 0.120 nan 8.210 nan 0.000 0.409 2426 K N 1.287 121.647 120.400 -0.065 0.000 2.103 2426 K HA -0.214 4.106 4.320 0.000 0.000 0.207 2426 K C 1.900 178.449 176.600 -0.084 0.000 1.048 2426 K CA 1.510 57.757 56.287 -0.067 0.000 0.930 2426 K CB -0.371 32.094 32.500 -0.059 0.000 0.716 2426 K HN 0.219 nan 8.250 nan 0.000 0.444 2427 N N 0.738 119.392 118.700 -0.078 0.000 2.084 2427 N HA -0.140 4.600 4.740 0.000 0.000 0.190 2427 N C 1.338 176.736 175.510 -0.185 0.000 1.030 2427 N CA 1.297 54.287 53.050 -0.099 0.000 0.849 2427 N CB 0.011 38.477 38.487 -0.035 0.000 1.012 2427 N HN 0.218 nan 8.380 nan 0.000 0.423 2428 K N 0.879 121.207 120.400 -0.119 0.000 2.097 2428 K HA -0.187 4.133 4.320 0.000 0.000 0.214 2428 K C 1.248 177.707 176.600 -0.234 0.000 1.052 2428 K CA 1.472 57.683 56.287 -0.126 0.000 0.932 2428 K CB -0.241 32.225 32.500 -0.056 0.000 0.716 2428 K HN 0.385 nan 8.250 nan 0.000 0.455 2429 E N 0.241 120.332 120.200 -0.182 0.000 2.494 2429 E HA -0.178 4.173 4.350 0.000 0.000 0.209 2429 E C 0.927 177.370 176.600 -0.262 0.000 1.185 2429 E CA 0.490 56.785 56.400 -0.175 0.000 0.940 2429 E CB -0.061 29.571 29.700 -0.114 0.000 0.902 2429 E HN 0.237 nan 8.360 nan 0.000 0.577 2430 R N -0.308 119.896 120.500 -0.493 0.000 2.476 2430 R HA 0.141 4.482 4.340 0.000 0.000 0.276 2430 R C 0.015 175.919 176.300 -0.661 0.000 0.941 2430 R CA 0.028 55.776 56.100 -0.585 0.000 1.088 2430 R CB 0.581 30.520 30.300 -0.602 0.000 1.216 2430 R HN 0.138 nan 8.270 nan 0.000 0.533 2431 H N -1.427 117.551 119.070 -0.153 0.000 2.966 2431 H HA 0.264 4.820 4.556 0.000 0.000 0.330 2431 H C -0.713 174.469 175.328 -0.243 0.000 1.292 2431 H CA -0.861 55.056 56.048 -0.218 0.000 1.127 2431 H CB 0.582 30.299 29.762 -0.074 0.000 1.863 2431 H HN 0.001 nan 8.280 nan 0.000 0.543 2432 H N 2.124 121.286 119.070 0.154 0.000 2.969 2432 H HA 0.196 4.753 4.556 0.000 0.000 0.269 2432 H C 0.242 175.625 175.328 0.092 0.000 1.223 2432 H CA -0.270 55.829 56.048 0.085 0.000 1.400 2432 H CB 0.218 30.015 29.762 0.060 0.000 1.500 2432 H HN 0.195 nan 8.280 nan 0.000 0.486 2433 L N 3.245 124.564 121.223 0.161 0.000 2.530 2433 L HA 0.048 4.388 4.340 0.000 0.000 0.273 2433 L C 1.298 178.236 176.870 0.114 0.000 1.141 2433 L CA -0.338 54.580 54.840 0.129 0.000 0.905 2433 L CB -0.123 41.995 42.059 0.098 0.000 1.202 2433 L HN 0.557 nan 8.230 nan 0.000 0.473 2434 C N 6.062 125.421 119.300 0.098 0.000 2.703 2434 C HA 0.345 4.805 4.460 0.000 0.000 0.411 2434 C C -1.527 173.506 174.990 0.073 0.000 1.290 2434 C CA -1.009 58.053 59.018 0.074 0.000 2.054 2434 C CB 0.084 27.859 27.740 0.058 0.000 2.732 2434 C HN 0.642 nan 8.230 nan 0.000 0.650 2435 P HA 0.357 nan 4.420 nan 0.000 0.274 2435 P C -1.482 175.857 177.300 0.065 0.000 1.246 2435 P CA 0.112 63.251 63.100 0.065 0.000 0.795 2435 P CB 0.284 32.001 31.700 0.028 0.000 1.006 2436 Q N 1.002 120.850 119.800 0.079 0.000 2.605 2436 Q HA 0.252 4.592 4.340 0.000 0.000 0.228 2436 Q C -2.798 173.258 176.000 0.093 0.000 0.805 2436 Q CA -1.647 54.203 55.803 0.078 0.000 0.894 2436 Q CB 1.286 30.070 28.738 0.077 0.000 1.469 2436 Q HN 0.241 nan 8.270 nan 0.000 0.445 2437 P HA 0.070 nan 4.420 nan 0.000 0.268 2437 P C 0.200 177.597 177.300 0.162 0.000 1.208 2437 P CA 0.327 63.490 63.100 0.106 0.000 0.777 2437 P CB 0.927 32.718 31.700 0.152 0.000 0.875 2438 G N 0.230 109.161 108.800 0.219 0.000 2.535 2438 G HA2 0.125 4.085 3.960 0.000 0.000 0.282 2438 G HA3 0.125 4.085 3.960 0.000 0.000 0.282 2438 G C 1.137 176.153 174.900 0.193 0.000 1.350 2438 G CA -0.150 45.075 45.100 0.209 0.000 1.039 2438 G HN 0.521 nan 8.290 nan 0.000 0.509 2439 S N -1.426 114.360 115.700 0.144 0.000 2.481 2439 S HA 0.042 4.513 4.470 0.000 0.000 0.231 2439 S C 2.067 176.723 174.600 0.093 0.000 0.996 2439 S CA 0.619 58.879 58.200 0.100 0.000 0.942 2439 S CB -0.309 62.927 63.200 0.061 0.000 0.768 2439 S HN 0.401 nan 8.310 nan 0.000 0.520 2440 L N -0.982 120.318 121.223 0.129 0.000 2.269 2440 L HA 0.198 4.538 4.340 0.000 0.000 0.200 2440 L C 2.059 179.030 176.870 0.169 0.000 1.069 2440 L CA 0.770 55.643 54.840 0.055 0.000 0.804 2440 L CB -0.778 41.221 42.059 -0.101 0.000 0.987 2440 L HN 0.306 nan 8.230 nan 0.000 0.468 2441 Y N 0.760 121.247 120.300 0.311 0.000 2.556 2441 Y HA -0.195 4.355 4.550 0.000 0.000 0.290 2441 Y C 2.075 178.085 175.900 0.183 0.000 1.149 2441 Y CA 1.261 59.576 58.100 0.358 0.000 1.329 2441 Y CB 0.068 38.704 38.460 0.293 0.000 0.975 2441 Y HN 0.086 nan 8.280 nan 0.000 0.561 2442 L N -2.017 119.338 121.223 0.220 0.000 2.408 2442 L HA -0.047 4.293 4.340 0.000 0.000 0.215 2442 L C 2.242 179.138 176.870 0.043 0.000 1.081 2442 L CA 0.811 55.732 54.840 0.134 0.000 0.840 2442 L CB -0.080 42.071 42.059 0.152 0.000 1.002 2442 L HN 0.042 nan 8.230 nan 0.000 0.468 2443 T N -0.574 113.994 114.554 0.024 0.000 2.814 2443 T HA -0.093 4.257 4.350 0.000 0.000 0.254 2443 T C 1.827 176.504 174.700 -0.037 0.000 1.037 2443 T CA 1.000 63.096 62.100 -0.006 0.000 1.143 2443 T CB 0.178 69.039 68.868 -0.012 0.000 0.866 2443 T HN 0.143 nan 8.240 nan 0.000 0.431 2444 K N 1.627 121.992 120.400 -0.059 0.000 2.097 2444 K HA -0.071 4.249 4.320 0.000 0.000 0.206 2444 K C 2.551 179.085 176.600 -0.111 0.000 1.049 2444 K CA 1.631 57.870 56.287 -0.080 0.000 0.933 2444 K CB -0.170 32.283 32.500 -0.077 0.000 0.717 2444 K HN 0.360 nan 8.250 nan 0.000 0.442 2445 S N 0.740 116.336 115.700 -0.173 0.000 2.481 2445 S HA -0.080 4.391 4.470 0.000 0.000 0.231 2445 S C 1.283 175.834 174.600 -0.083 0.000 0.996 2445 S CA 0.494 58.575 58.200 -0.199 0.000 0.942 2445 S CB -0.391 62.636 63.200 -0.289 0.000 0.768 2445 S HN 0.292 nan 8.310 nan 0.000 0.520 2446 S N 0.911 116.581 115.700 -0.050 0.000 2.596 2446 S HA 0.320 4.790 4.470 0.000 0.000 0.262 2446 S C 1.069 175.651 174.600 -0.030 0.000 1.218 2446 S CA 0.091 58.277 58.200 -0.024 0.000 0.998 2446 S CB -0.197 62.996 63.200 -0.011 0.000 1.060 2446 S HN 0.305 nan 8.310 nan 0.000 0.552 2447 T N 0.573 115.115 114.554 -0.020 0.000 3.053 2447 T HA 0.288 4.638 4.350 0.000 0.000 0.223 2447 T C 0.043 174.729 174.700 -0.023 0.000 1.015 2447 T CA 0.286 62.373 62.100 -0.021 0.000 1.655 2447 T CB -1.060 67.799 68.868 -0.015 0.000 1.279 2447 T HN 0.641 nan 8.240 nan 0.000 0.431 2448 L N 2.361 123.574 121.223 -0.018 0.000 3.133 2448 L HA -0.084 4.256 4.340 0.000 0.000 0.532 2448 L C -2.271 174.587 176.870 -0.021 0.000 1.002 2448 L CA -0.978 53.852 54.840 -0.018 0.000 1.276 2448 L CB -1.040 41.008 42.059 -0.017 0.000 1.195 2448 L HN 0.367 nan 8.230 nan 0.000 0.594 2449 P HA -0.047 nan 4.420 nan 0.000 0.253 2449 P C -0.026 177.260 177.300 -0.024 0.000 1.159 2449 P CA 0.470 63.557 63.100 -0.022 0.000 0.779 2449 P CB 0.316 32.005 31.700 -0.019 0.000 0.745 2450 R N 3.351 123.834 120.500 -0.028 0.000 2.652 2450 R HA 0.541 4.881 4.340 0.000 0.000 0.272 2450 R C 0.575 176.859 176.300 -0.027 0.000 1.162 2450 R CA -0.764 55.317 56.100 -0.030 0.000 1.199 2450 R CB 0.352 30.631 30.300 -0.035 0.000 1.166 2450 R HN 0.491 nan 8.270 nan 0.000 0.597 2451 I N 0.600 121.155 120.570 -0.025 0.000 2.500 2451 I HA 0.074 4.244 4.170 0.000 0.000 0.286 2451 I C 0.301 176.405 176.117 -0.021 0.000 1.063 2451 I CA -0.675 60.612 61.300 -0.021 0.000 1.062 2451 I CB 2.032 40.026 38.000 -0.010 0.000 1.223 2451 I HN 0.628 nan 8.210 nan 0.000 0.435 2452 S N 5.680 121.361 115.700 -0.031 0.000 2.573 2452 S HA 0.171 4.641 4.470 0.000 0.000 0.277 2452 S C 1.165 175.748 174.600 -0.027 0.000 1.346 2452 S CA -0.457 57.719 58.200 -0.040 0.000 1.034 2452 S CB 1.239 64.403 63.200 -0.060 0.000 0.879 2452 S HN 0.724 nan 8.310 nan 0.000 0.528 2453 L N 1.132 122.340 121.223 -0.025 0.000 2.042 2453 L HA -0.194 4.146 4.340 0.000 0.000 0.210 2453 L C 3.025 179.917 176.870 0.036 0.000 1.076 2453 L CA 2.049 56.916 54.840 0.045 0.000 0.749 2453 L CB -0.551 41.538 42.059 0.050 0.000 0.893 2453 L HN 0.995 nan 8.230 nan 0.000 0.432 2454 Q N -0.604 119.127 119.800 -0.115 0.000 2.030 2454 Q HA -0.265 4.075 4.340 0.000 0.000 0.204 2454 Q C 2.190 178.149 176.000 -0.067 0.000 0.986 2454 Q CA 2.098 57.820 55.803 -0.135 0.000 0.843 2454 Q CB -0.165 28.301 28.738 -0.452 0.000 0.904 2454 Q HN 0.616 nan 8.270 nan 0.000 0.420 2455 A N 0.972 123.744 122.820 -0.079 0.000 1.873 2455 A HA -0.245 4.076 4.320 0.000 0.000 0.218 2455 A C 2.337 179.879 177.584 -0.069 0.000 1.193 2455 A CA 2.241 54.241 52.037 -0.062 0.000 0.629 2455 A CB -1.450 17.519 19.000 -0.051 0.000 0.826 2455 A HN 0.617 nan 8.150 nan 0.000 0.447 2456 A N -0.696 122.088 122.820 -0.060 0.000 1.870 2456 A HA -0.194 4.126 4.320 0.000 0.000 0.219 2456 A C 2.261 179.726 177.584 -0.198 0.000 1.224 2456 A CA 2.595 54.579 52.037 -0.089 0.000 0.650 2456 A CB -1.377 17.626 19.000 0.005 0.000 0.836 2456 A HN 0.636 nan 8.150 nan 0.000 0.454 2457 V N -0.754 119.003 119.914 -0.261 0.000 2.407 2457 V HA 0.094 4.214 4.120 0.000 0.000 0.248 2457 V C 1.703 177.698 176.094 -0.166 0.000 1.055 2457 V CA 1.563 63.653 62.300 -0.351 0.000 1.049 2457 V CB -1.687 29.807 31.823 -0.548 0.000 0.662 2457 V HN 1.665 nan 8.190 nan 0.000 0.455 2458 G N 0.555 109.298 108.800 -0.095 0.000 2.546 2458 G HA2 -0.182 3.778 3.960 0.000 0.000 0.285 2458 G HA3 -0.182 3.778 3.960 0.000 0.000 0.285 2458 G C -0.001 174.887 174.900 -0.021 0.000 1.105 2458 G CA 0.270 45.336 45.100 -0.057 0.000 1.189 2458 G HN 0.442 nan 8.290 nan 0.000 0.534 2459 D N -1.839 118.569 120.400 0.012 0.000 3.260 2459 D HA -0.249 4.391 4.640 0.000 0.000 0.205 2459 D C 1.325 177.681 176.300 0.093 0.000 1.300 2459 D CA 2.054 56.083 54.000 0.047 0.000 2.160 2459 D CB -1.575 39.237 40.800 0.020 0.000 1.288 2459 D HN 1.483 nan 8.370 nan 0.000 0.490 2460 S N 0.521 116.253 115.700 0.053 0.000 2.564 2460 S HA 0.230 4.700 4.470 0.000 0.000 0.263 2460 S C 0.484 175.125 174.600 0.068 0.000 1.378 2460 S CA 0.425 58.653 58.200 0.046 0.000 0.996 2460 S CB 0.703 63.918 63.200 0.026 0.000 0.881 2460 S HN 0.546 nan 8.310 nan 0.000 0.555 2461 V N -0.119 119.752 119.914 -0.071 0.000 3.158 2461 V HA 0.698 4.818 4.120 0.000 0.000 0.315 2461 V C -2.837 172.879 176.094 -0.630 0.000 1.148 2461 V CA -2.741 59.347 62.300 -0.354 0.000 1.042 2461 V CB 0.635 32.308 31.823 -0.250 0.000 1.101 2461 V HN 0.679 nan 8.190 nan 0.000 0.448 2462 P HA 0.166 nan 4.420 nan 0.000 0.258 2462 P C -0.480 176.404 177.300 -0.693 0.000 1.214 2462 P CA 0.899 63.335 63.100 -1.107 0.000 0.872 2462 P CB 0.051 31.345 31.700 -0.676 0.000 0.890 2463 S N 3.210 118.477 115.700 -0.721 0.000 2.454 2463 S HA 0.690 5.160 4.470 0.000 0.000 0.306 2463 S C 0.253 174.547 174.600 -0.510 0.000 1.100 2463 S CA -0.693 57.229 58.200 -0.464 0.000 1.087 2463 S CB 0.564 63.553 63.200 -0.352 0.000 1.019 2463 S HN 0.402 nan 8.310 nan 0.000 0.480 2464 A N 2.865 125.434 122.820 -0.419 0.000 2.552 2464 A HA 0.176 4.496 4.320 0.000 0.000 0.241 2464 A C 1.908 179.149 177.584 -0.571 0.000 1.103 2464 A CA 0.293 52.004 52.037 -0.544 0.000 0.789 2464 A CB -1.137 17.710 19.000 -0.255 0.000 1.050 2464 A HN 1.537 nan 8.150 nan 0.000 0.515 2465 C N -1.479 117.381 119.300 -0.733 0.000 4.604 2465 C HA 0.394 4.854 4.460 0.000 0.000 0.295 2465 C C 1.818 176.713 174.990 -0.159 0.000 1.214 2465 C CA 1.436 60.237 59.018 -0.361 0.000 1.858 2465 C CB -1.433 26.284 27.740 -0.038 0.000 2.000 2465 C HN 2.407 nan 8.230 nan 0.000 0.404 2466 S N -1.601 114.052 115.700 -0.079 0.000 4.701 2466 S HA 0.506 4.976 4.470 0.000 0.000 0.036 2466 S C -0.408 174.147 174.600 -0.075 0.000 0.861 2466 S CA 1.167 59.323 58.200 -0.074 0.000 0.893 2466 S CB -1.728 61.426 63.200 -0.076 0.000 0.337 2466 S HN 1.640 nan 8.310 nan 0.000 0.804 2467 P HA -0.120 nan 4.420 nan 0.000 0.281 2467 P C 1.003 178.185 177.300 -0.198 0.000 0.823 2467 P CA 4.789 67.856 63.100 -0.055 0.000 0.945 2467 P CB -1.416 30.252 31.700 -0.053 0.000 0.903 2468 K N -2.364 117.881 120.400 -0.259 0.000 2.627 2468 K HA 0.745 5.065 4.320 0.000 0.000 0.269 2468 K C 1.951 178.332 176.600 -0.364 0.000 1.029 2468 K CA 1.840 57.842 56.287 -0.475 0.000 1.026 2468 K CB -1.250 31.067 32.500 -0.305 0.000 1.350 2468 K HN 2.015 nan 8.250 nan 0.000 0.506 2469 Q N -3.642 115.953 119.800 -0.341 0.000 2.223 2469 Q HA -0.253 4.087 4.340 0.000 0.000 0.150 2469 Q C 2.332 178.251 176.000 -0.136 0.000 0.715 2469 Q CA 3.191 58.866 55.803 -0.213 0.000 1.376 2469 Q CB -2.962 25.689 28.738 -0.144 0.000 1.373 2469 Q HN 2.314 nan 8.270 nan 0.000 0.940 2470 L N -0.938 120.204 121.223 -0.136 0.000 2.275 2470 L HA 0.193 4.533 4.340 0.000 0.000 0.215 2470 L C 2.435 179.463 176.870 0.263 0.000 1.119 2470 L CA 2.465 57.359 54.840 0.092 0.000 0.790 2470 L CB -1.379 40.750 42.059 0.117 0.000 0.919 2470 L HN 0.896 nan 8.230 nan 0.000 0.443 2471 Y N -1.946 118.369 120.300 0.025 0.000 2.365 2471 Y HA -0.089 4.461 4.550 0.000 0.000 0.293 2471 Y C 2.625 178.501 175.900 -0.041 0.000 1.119 2471 Y CA 0.812 58.917 58.100 0.010 0.000 1.203 2471 Y CB 0.118 38.576 38.460 -0.003 0.000 1.026 2471 Y HN 0.381 nan 8.280 nan 0.000 0.549 2472 M N -0.338 119.261 119.600 -0.003 0.000 2.267 2472 M HA -0.269 4.211 4.480 0.000 0.000 0.263 2472 M C 0.626 176.726 176.300 -0.333 0.000 1.063 2472 M CA 2.002 57.161 55.300 -0.235 0.000 1.090 2472 M CB -0.032 32.299 32.600 -0.448 0.000 1.392 2472 M HN 0.284 nan 8.290 nan 0.000 0.422 2473 Y N -0.665 119.679 120.300 0.072 0.000 2.430 2473 Y HA 0.412 4.962 4.550 0.000 0.000 0.254 2473 Y C 1.008 176.961 175.900 0.088 0.000 1.088 2473 Y CA 0.109 58.245 58.100 0.061 0.000 1.267 2473 Y CB 0.261 38.746 38.460 0.042 0.000 1.204 2473 Y HN 0.264 nan 8.280 nan 0.000 0.515 2474 G N 1.323 110.272 108.800 0.247 0.000 3.038 2474 G HA2 -0.075 3.885 3.960 0.000 0.000 0.241 2474 G HA3 -0.075 3.885 3.960 0.000 0.000 0.241 2474 G C -1.132 173.897 174.900 0.216 0.000 0.968 2474 G CA -0.110 45.113 45.100 0.205 0.000 0.949 2474 G HN 0.076 nan 8.290 nan 0.000 0.394 2475 V N 2.967 123.027 119.914 0.242 0.000 2.380 2475 V HA 0.577 4.697 4.120 0.000 0.000 0.286 2475 V C 1.051 177.268 176.094 0.205 0.000 1.015 2475 V CA -0.100 62.339 62.300 0.231 0.000 0.834 2475 V CB 1.577 33.563 31.823 0.271 0.000 1.009 2475 V HN 1.605 nan 8.190 nan 0.000 0.428 2476 S N 4.574 120.375 115.700 0.168 0.000 3.298 2476 S HA -0.098 4.372 4.470 0.000 0.000 0.389 2476 S C 1.404 176.081 174.600 0.129 0.000 1.186 2476 S CA 0.367 58.648 58.200 0.135 0.000 1.034 2476 S CB 0.033 63.334 63.200 0.169 0.000 0.735 2476 S HN 0.756 nan 8.310 nan 0.000 0.510 2477 K N 3.930 124.387 120.400 0.095 0.000 2.360 2477 K HA -0.125 4.195 4.320 0.000 0.000 0.201 2477 K C 2.142 178.781 176.600 0.064 0.000 1.046 2477 K CA 1.237 57.579 56.287 0.091 0.000 0.940 2477 K CB -0.269 32.269 32.500 0.063 0.000 0.748 2477 K HN 0.739 nan 8.250 nan 0.000 0.465 2478 A N 1.124 123.987 122.820 0.073 0.000 1.874 2478 A HA -0.147 4.173 4.320 0.000 0.000 0.214 2478 A C 2.505 180.208 177.584 0.198 0.000 1.189 2478 A CA 1.344 53.433 52.037 0.086 0.000 0.615 2478 A CB -0.906 18.109 19.000 0.026 0.000 0.830 2478 A HN 0.604 nan 8.150 nan 0.000 0.443 2479 C N -0.505 118.926 119.300 0.218 0.000 2.453 2479 C HA 0.052 4.512 4.460 0.000 0.000 0.277 2479 C C 2.283 177.283 174.990 0.016 0.000 1.262 2479 C CA 0.876 59.982 59.018 0.147 0.000 1.718 2479 C CB -1.585 26.221 27.740 0.111 0.000 2.031 2479 C HN 0.510 nan 8.230 nan 0.000 0.480 2480 I N 2.206 122.777 120.570 0.001 0.000 2.908 2480 I HA -0.128 4.042 4.170 0.000 0.000 0.271 2480 I C 1.139 177.136 176.117 -0.201 0.000 1.275 2480 I CA 1.169 62.361 61.300 -0.180 0.000 1.446 2480 I CB -0.369 37.610 38.000 -0.035 0.000 1.092 2480 I HN 0.443 nan 8.210 nan 0.000 0.482 2481 S N 0.365 116.029 115.700 -0.060 0.000 2.457 2481 S HA 0.296 4.766 4.470 0.000 0.000 0.237 2481 S C -0.235 174.366 174.600 0.001 0.000 1.213 2481 S CA -0.171 58.008 58.200 -0.034 0.000 1.218 2481 S CB 0.751 63.958 63.200 0.011 0.000 0.922 2481 S HN 0.123 nan 8.310 nan 0.000 0.488 2482 V N 3.220 123.110 119.914 -0.040 0.000 2.532 2482 V HA 0.507 4.627 4.120 0.000 0.000 0.294 2482 V C -0.802 175.289 176.094 -0.005 0.000 1.036 2482 V CA -0.842 61.447 62.300 -0.018 0.000 0.876 2482 V CB 1.423 33.216 31.823 -0.051 0.000 1.012 2482 V HN 0.632 nan 8.190 nan 0.000 0.432 2483 N N 4.034 122.708 118.700 -0.044 0.000 2.413 2483 N HA 0.249 4.989 4.740 0.000 0.000 0.266 2483 N C 0.894 176.211 175.510 -0.321 0.000 1.238 2483 N CA 0.332 53.346 53.050 -0.060 0.000 0.972 2483 N CB 1.661 40.109 38.487 -0.065 0.000 1.210 2483 N HN 0.401 nan 8.380 nan 0.000 0.547 2484 S N -1.163 114.182 115.700 -0.592 0.000 2.727 2484 S HA 0.070 4.540 4.470 0.000 0.000 0.226 2484 S C 0.673 174.808 174.600 -0.775 0.000 0.963 2484 S CA 0.354 57.722 58.200 -1.387 0.000 0.950 2484 S CB -0.586 61.579 63.200 -1.724 0.000 0.779 2484 S HN 0.486 nan 8.310 nan 0.000 0.532 2485 K N 0.942 121.073 120.400 -0.448 0.000 2.481 2485 K HA 0.206 4.526 4.320 0.000 0.000 0.210 2485 K C 0.911 177.382 176.600 -0.214 0.000 1.161 2485 K CA 0.574 56.678 56.287 -0.306 0.000 1.023 2485 K CB 0.207 32.604 32.500 -0.172 0.000 0.971 2485 K HN 0.662 nan 8.250 nan 0.000 0.577 2486 N N -0.782 117.808 118.700 -0.183 0.000 2.294 2486 N HA 0.059 4.799 4.740 0.000 0.000 0.186 2486 N C 1.580 177.011 175.510 -0.132 0.000 1.107 2486 N CA 0.698 53.744 53.050 -0.006 0.000 0.884 2486 N CB 0.105 38.630 38.487 0.063 0.000 1.030 2486 N HN -0.090 nan 8.380 nan 0.000 0.482 2487 A N 1.304 123.952 122.820 -0.287 0.000 1.997 2487 A HA -0.273 4.047 4.320 0.000 0.000 0.221 2487 A C 2.003 179.353 177.584 -0.389 0.000 1.172 2487 A CA 1.734 53.572 52.037 -0.332 0.000 0.645 2487 A CB -0.916 17.841 19.000 -0.405 0.000 0.813 2487 A HN 0.591 nan 8.150 nan 0.000 0.454 2488 E N -2.200 117.606 120.200 -0.656 0.000 2.455 2488 E HA -0.176 4.174 4.350 0.000 0.000 0.202 2488 E C 0.646 176.822 176.600 -0.705 0.000 1.045 2488 E CA 1.035 56.965 56.400 -0.783 0.000 0.872 2488 E CB -0.025 28.956 29.700 -1.198 0.000 0.792 2488 E HN 0.807 nan 8.360 nan 0.000 0.542 2489 Y N -1.970 118.414 120.300 0.140 0.000 3.131 2489 Y HA 0.156 4.706 4.550 0.000 0.000 0.163 2489 Y C 1.220 177.317 175.900 0.329 0.000 0.886 2489 Y CA -0.039 58.173 58.100 0.187 0.000 1.800 2489 Y CB -0.716 37.788 38.460 0.074 0.000 1.321 2489 Y HN 0.012 nan 8.280 nan 0.000 0.387 2490 F N 0.284 120.338 119.950 0.173 0.000 2.552 2490 F HA -0.487 4.040 4.527 0.000 0.000 0.715 2490 F C -0.405 175.417 175.800 0.038 0.000 0.486 2490 F CA 2.260 60.273 58.000 0.022 0.000 0.717 2490 F CB -1.021 37.919 39.000 -0.100 0.000 1.598 2490 F HN 0.453 nan 8.300 nan 0.000 0.270 2491 Q N -0.062 119.723 119.800 -0.025 0.000 2.344 2491 Q HA -0.164 4.176 4.340 0.000 0.000 0.320 2491 Q C -0.655 175.113 176.000 -0.388 0.000 1.238 2491 Q CA 0.717 56.487 55.803 -0.055 0.000 0.798 2491 Q CB -1.732 27.002 28.738 -0.007 0.000 0.929 2491 Q HN 0.426 nan 8.270 nan 0.000 0.314 2492 F N 1.045 120.961 119.950 -0.057 0.000 2.539 2492 F HA 0.228 4.755 4.527 0.000 0.000 0.340 2492 F C 1.233 177.055 175.800 0.036 0.000 1.185 2492 F CA 0.664 58.669 58.000 0.008 0.000 1.333 2492 F CB 0.494 39.704 39.000 0.350 0.000 1.152 2492 F HN 0.560 nan 8.300 nan 0.000 0.602 2493 A N 2.970 125.938 122.820 0.246 0.000 2.690 2493 A HA 0.479 4.799 4.320 0.000 0.000 0.342 2493 A C 0.928 178.660 177.584 0.247 0.000 1.410 2493 A CA -0.636 51.484 52.037 0.139 0.000 0.958 2493 A CB -0.838 18.172 19.000 0.016 0.000 1.153 2493 A HN 0.675 nan 8.150 nan 0.000 0.497 2494 I N 1.172 121.922 120.570 0.300 0.000 2.285 2494 I HA -0.388 3.782 4.170 0.000 0.000 0.253 2494 I C 1.992 178.380 176.117 0.452 0.000 1.104 2494 I CA 2.219 63.788 61.300 0.448 0.000 1.372 2494 I CB -1.316 36.824 38.000 0.233 0.000 1.057 2494 I HN 0.760 nan 8.210 nan 0.000 0.431 2495 E N 1.374 121.736 120.200 0.270 0.000 2.051 2495 E HA -0.267 4.083 4.350 0.000 0.000 0.192 2495 E C 1.387 178.052 176.600 0.108 0.000 0.991 2495 E CA 1.766 58.303 56.400 0.228 0.000 0.799 2495 E CB -0.769 29.037 29.700 0.178 0.000 0.748 2495 E HN 0.504 nan 8.360 nan 0.000 0.449 2496 D N -0.087 120.302 120.400 -0.019 0.000 2.310 2496 D HA -0.081 4.559 4.640 0.000 0.000 0.212 2496 D C 1.261 177.311 176.300 -0.416 0.000 0.965 2496 D CA 0.903 54.766 54.000 -0.228 0.000 0.879 2496 D CB 0.109 40.698 40.800 -0.353 0.000 0.921 2496 D HN 0.355 nan 8.370 nan 0.000 0.510 2497 H N -2.298 116.728 119.070 -0.073 0.000 2.986 2497 H HA 0.223 4.779 4.556 0.000 0.000 0.267 2497 H C 0.547 175.398 175.328 -0.796 0.000 1.072 2497 H CA 0.228 56.013 56.048 -0.437 0.000 1.202 2497 H CB 0.545 29.915 29.762 -0.653 0.000 1.535 2497 H HN 0.208 nan 8.280 nan 0.000 0.522 2498 F N -0.067 119.875 119.950 -0.013 0.000 2.784 2498 F HA 0.359 4.886 4.527 0.000 0.000 0.316 2498 F C 1.174 177.027 175.800 0.088 0.000 1.026 2498 F CA 0.449 58.429 58.000 -0.033 0.000 1.188 2498 F CB 0.869 39.727 39.000 -0.236 0.000 0.999 2498 F HN 0.071 nan 8.300 nan 0.000 0.605 2499 G N 2.742 111.702 108.800 0.267 0.000 3.129 2499 G HA2 -0.193 3.767 3.960 0.000 0.000 0.686 2499 G HA3 -0.193 3.767 3.960 0.000 0.000 0.686 2499 G C -0.536 174.501 174.900 0.228 0.000 0.989 2499 G CA -1.066 44.153 45.100 0.197 0.000 0.810 2499 G HN 0.005 nan 8.290 nan 0.000 0.539 2500 K N 2.310 122.815 120.400 0.176 0.000 2.441 2500 K HA 0.185 4.506 4.320 0.000 0.000 0.273 2500 K C 1.002 177.679 176.600 0.130 0.000 1.090 2500 K CA 1.762 58.136 56.287 0.146 0.000 1.158 2500 K CB -0.282 32.271 32.500 0.089 0.000 0.847 2500 K HN 1.387 nan 8.250 nan 0.000 0.483 2501 E N 0.711 120.994 120.200 0.137 0.000 5.283 2501 E HA 0.158 4.508 4.350 0.000 0.000 0.356 2501 E C -0.165 176.528 176.600 0.155 0.000 1.060 2501 E CA -0.007 56.462 56.400 0.114 0.000 0.937 2501 E CB -1.023 28.745 29.700 0.113 0.000 1.033 2501 E HN 0.434 nan 8.360 nan 0.000 0.636 2502 A N 2.341 125.215 122.820 0.091 0.000 3.925 2502 A HA -0.345 3.975 4.320 0.000 0.000 0.247 2502 A C 1.340 178.922 177.584 -0.004 0.000 0.630 2502 A CA 1.695 53.761 52.037 0.048 0.000 1.174 2502 A CB -1.497 17.585 19.000 0.138 0.000 1.222 2502 A HN 1.057 nan 8.150 nan 0.000 0.676 2503 L N 0.813 122.153 121.223 0.196 0.000 2.109 2503 L HA -0.120 4.220 4.340 0.000 0.000 0.207 2503 L C 2.686 179.673 176.870 0.195 0.000 1.086 2503 L CA 3.232 58.275 54.840 0.338 0.000 0.760 2503 L CB -1.388 40.934 42.059 0.438 0.000 0.910 2503 L HN 1.111 nan 8.230 nan 0.000 0.437 2504 C N -0.424 118.908 119.300 0.053 0.000 2.467 2504 C HA 0.369 4.829 4.460 0.000 0.000 0.279 2504 C C 1.665 176.590 174.990 -0.108 0.000 1.347 2504 C CA -0.295 58.672 59.018 -0.084 0.000 1.748 2504 C CB -1.588 26.119 27.740 -0.055 0.000 1.977 2504 C HN 0.494 nan 8.230 nan 0.000 0.501 2505 A N 1.425 124.207 122.820 -0.064 0.000 2.362 2505 A HA 0.529 4.849 4.320 0.000 0.000 0.276 2505 A C 1.577 179.102 177.584 -0.099 0.000 1.153 2505 A CA 0.449 52.439 52.037 -0.079 0.000 0.813 2505 A CB 0.068 19.033 19.000 -0.059 0.000 1.081 2505 A HN 0.727 nan 8.150 nan 0.000 0.507 2506 G N 1.922 110.671 108.800 -0.085 0.000 2.503 2506 G HA2 -0.357 3.603 3.960 0.000 0.000 0.221 2506 G HA3 -0.357 3.603 3.960 0.000 0.000 0.221 2506 G C 1.517 176.336 174.900 -0.135 0.000 1.131 2506 G CA 1.331 46.389 45.100 -0.071 0.000 0.756 2506 G HN 0.976 nan 8.290 nan 0.000 0.572 2507 K N 0.247 120.559 120.400 -0.147 0.000 2.091 2507 K HA -0.194 4.126 4.320 0.000 0.000 0.225 2507 K C 1.486 177.971 176.600 -0.191 0.000 1.028 2507 K CA 2.532 58.717 56.287 -0.171 0.000 0.965 2507 K CB -0.731 31.711 32.500 -0.095 0.000 0.786 2507 K HN 1.096 nan 8.250 nan 0.000 0.459 2508 G N -1.357 107.249 108.800 -0.323 0.000 2.384 2508 G HA2 -0.012 3.948 3.960 0.000 0.000 0.200 2508 G HA3 -0.012 3.948 3.960 0.000 0.000 0.200 2508 G C -1.164 173.281 174.900 -0.758 0.000 1.205 2508 G CA -0.211 44.590 45.100 -0.498 0.000 1.116 2508 G HN 0.257 nan 8.290 nan 0.000 0.547 2509 F N 0.303 120.292 119.950 0.066 0.000 2.585 2509 F HA 0.649 5.176 4.527 0.000 0.000 0.319 2509 F C 0.325 175.966 175.800 -0.264 0.000 1.165 2509 F CA -0.653 57.265 58.000 -0.137 0.000 0.949 2509 F CB 2.277 41.013 39.000 -0.440 0.000 1.218 2509 F HN 0.523 nan 8.300 nan 0.000 0.453 2510 R N 4.493 124.697 120.500 -0.494 0.000 2.235 2510 R HA 0.576 4.916 4.340 0.000 0.000 0.338 2510 R C -1.117 174.954 176.300 -0.381 0.000 1.087 2510 R CA -0.211 55.309 56.100 -0.966 0.000 0.948 2510 R CB 0.261 29.608 30.300 -1.588 0.000 1.099 2510 R HN 0.745 nan 8.270 nan 0.000 0.483 2511 L N 2.803 123.893 121.223 -0.221 0.000 2.375 2511 L HA 0.460 4.800 4.340 0.000 0.000 0.268 2511 L C 0.563 177.385 176.870 -0.079 0.000 1.058 2511 L CA -0.933 53.858 54.840 -0.082 0.000 0.803 2511 L CB 1.244 43.300 42.059 -0.005 0.000 1.212 2511 L HN 0.684 nan 8.230 nan 0.000 0.451 2512 A N 1.355 124.156 122.820 -0.032 0.000 2.534 2512 A HA -0.179 4.141 4.320 0.000 0.000 0.264 2512 A C 0.730 178.312 177.584 -0.004 0.000 0.960 2512 A CA 1.022 53.051 52.037 -0.012 0.000 1.000 2512 A CB -0.341 18.666 19.000 0.013 0.000 0.798 2512 A HN 1.018 nan 8.150 nan 0.000 0.413 2513 D N 0.097 120.497 120.400 0.000 0.000 2.154 2513 D HA -0.234 4.406 4.640 0.000 0.000 0.165 2513 D C 1.075 177.369 176.300 -0.010 0.000 1.405 2513 D CA 2.900 56.910 54.000 0.018 0.000 1.308 2513 D CB -1.390 39.441 40.800 0.051 0.000 1.265 2513 D HN 2.259 nan 8.370 nan 0.000 0.498 2514 G N -0.121 108.638 108.800 -0.068 0.000 2.205 2514 G HA2 0.045 4.006 3.960 0.000 0.000 0.180 2514 G HA3 0.045 4.006 3.960 0.000 0.000 0.180 2514 G C 0.533 175.350 174.900 -0.139 0.000 1.004 2514 G CA 0.637 45.668 45.100 -0.114 0.000 0.670 2514 G HN 0.837 nan 8.290 nan 0.000 0.496 2515 G N -0.871 107.875 108.800 -0.091 0.000 2.572 2515 G HA2 0.445 4.405 3.960 0.000 0.000 0.261 2515 G HA3 0.445 4.405 3.960 0.000 0.000 0.261 2515 G C -0.474 174.351 174.900 -0.126 0.000 1.197 2515 G CA -0.675 44.414 45.100 -0.018 0.000 0.870 2515 G HN 0.273 nan 8.290 nan 0.000 0.548 2516 W N 0.818 122.097 121.300 -0.036 0.000 2.294 2516 W HA 0.432 5.093 4.660 0.000 0.000 0.314 2516 W C -0.315 176.150 176.519 -0.090 0.000 1.044 2516 W CA -0.703 56.611 57.345 -0.050 0.000 1.284 2516 W CB 1.601 31.020 29.460 -0.067 0.000 1.231 2516 W HN 0.256 nan 8.180 nan 0.000 0.419 2517 L N 6.100 127.363 121.223 0.067 0.000 2.295 2517 L HA 0.425 4.765 4.340 0.000 0.000 0.288 2517 L C -0.465 176.410 176.870 0.009 0.000 1.079 2517 L CA -0.154 54.641 54.840 -0.076 0.000 0.830 2517 L CB -0.225 41.709 42.059 -0.208 0.000 1.200 2517 L HN 0.309 nan 8.230 nan 0.000 0.438 2518 I N 8.156 128.700 120.570 -0.043 0.000 2.337 2518 I HA 0.294 4.464 4.170 0.000 0.000 0.285 2518 I C -1.777 174.281 176.117 -0.100 0.000 1.041 2518 I CA -1.849 59.413 61.300 -0.064 0.000 1.199 2518 I CB 0.768 38.731 38.000 -0.062 0.000 1.370 2518 I HN 0.500 nan 8.210 nan 0.000 0.470 2519 P HA -0.106 nan 4.420 nan 0.000 0.271 2519 P C -0.224 176.969 177.300 -0.178 0.000 1.197 2519 P CA 0.288 63.265 63.100 -0.204 0.000 0.777 2519 P CB 0.352 31.796 31.700 -0.427 0.000 0.827 2520 S N 0.077 115.673 115.700 -0.174 0.000 2.646 2520 S HA 0.184 4.654 4.470 0.000 0.000 0.276 2520 S C 0.870 175.422 174.600 -0.080 0.000 1.222 2520 S CA -0.657 57.490 58.200 -0.089 0.000 1.014 2520 S CB 0.726 63.898 63.200 -0.047 0.000 0.991 2520 S HN 0.410 nan 8.310 nan 0.000 0.533 2521 D N 1.659 122.065 120.400 0.011 0.000 2.200 2521 D HA -0.184 4.456 4.640 0.000 0.000 0.192 2521 D C 0.728 177.122 176.300 0.158 0.000 1.008 2521 D CA 1.896 55.955 54.000 0.098 0.000 0.872 2521 D CB -0.376 40.464 40.800 0.066 0.000 0.923 2521 D HN 0.876 nan 8.370 nan 0.000 0.447 2522 D N -0.291 120.151 120.400 0.069 0.000 2.690 2522 D HA 0.225 4.865 4.640 0.000 0.000 0.236 2522 D C 0.784 177.092 176.300 0.014 0.000 1.218 2522 D CA -0.057 54.000 54.000 0.095 0.000 0.829 2522 D CB -0.434 40.400 40.800 0.056 0.000 1.009 2522 D HN 0.128 nan 8.370 nan 0.000 0.482 2523 G N 1.348 110.002 108.800 -0.243 0.000 2.363 2523 G HA2 -0.261 3.699 3.960 0.000 0.000 0.286 2523 G HA3 -0.261 3.699 3.960 0.000 0.000 0.286 2523 G C -0.131 174.650 174.900 -0.198 0.000 0.975 2523 G CA 0.170 44.942 45.100 -0.547 0.000 1.309 2523 G HN 0.310 nan 8.290 nan 0.000 0.491 2524 K N -0.891 119.417 120.400 -0.154 0.000 2.439 2524 K HA 0.937 5.257 4.320 0.000 0.000 0.260 2524 K C -0.347 176.272 176.600 0.032 0.000 1.032 2524 K CA -0.262 56.018 56.287 -0.013 0.000 0.882 2524 K CB 2.287 34.791 32.500 0.007 0.000 1.420 2524 K HN 1.229 nan 8.250 nan 0.000 0.455 2525 A N 0.052 122.972 122.820 0.166 0.000 2.456 2525 A HA 0.719 5.039 4.320 0.000 0.000 0.288 2525 A C -0.439 177.418 177.584 0.456 0.000 1.042 2525 A CA 0.010 52.183 52.037 0.226 0.000 0.738 2525 A CB 1.570 20.715 19.000 0.243 0.000 1.266 2525 A HN 0.677 nan 8.150 nan 0.000 0.407 2526 G N 0.900 109.908 108.800 0.346 0.000 3.107 2526 G HA2 0.511 4.471 3.960 0.000 0.000 0.233 2526 G HA3 0.511 4.471 3.960 0.000 0.000 0.233 2526 G C 0.476 175.357 174.900 -0.032 0.000 1.168 2526 G CA 0.043 45.298 45.100 0.258 0.000 0.801 2526 G HN 0.694 nan 8.290 nan 0.000 0.605 2527 K N 0.197 120.424 120.400 -0.288 0.000 1.963 2527 K HA -0.034 4.286 4.320 0.000 0.000 0.216 2527 K C 1.927 178.537 176.600 0.017 0.000 1.045 2527 K CA 1.459 57.538 56.287 -0.346 0.000 0.954 2527 K CB -0.389 31.990 32.500 -0.202 0.000 0.732 2527 K HN 0.479 nan 8.250 nan 0.000 0.442 2528 E N 1.308 121.562 120.200 0.090 0.000 2.331 2528 E HA -0.214 4.136 4.350 0.000 0.000 0.199 2528 E C 1.573 178.268 176.600 0.158 0.000 1.008 2528 E CA 1.101 57.622 56.400 0.201 0.000 0.843 2528 E CB 0.167 29.955 29.700 0.147 0.000 0.761 2528 E HN 0.396 nan 8.360 nan 0.000 0.507 2529 E N -0.729 119.532 120.200 0.101 0.000 2.057 2529 E HA -0.069 4.281 4.350 0.000 0.000 0.190 2529 E C 1.704 178.310 176.600 0.011 0.000 0.969 2529 E CA 0.623 57.039 56.400 0.026 0.000 0.812 2529 E CB -0.135 29.567 29.700 0.003 0.000 0.777 2529 E HN 0.243 nan 8.360 nan 0.000 0.455 2530 F N 0.446 120.401 119.950 0.008 0.000 2.234 2530 F HA -0.190 4.337 4.527 0.000 0.000 0.299 2530 F C 2.305 178.181 175.800 0.125 0.000 1.087 2530 F CA 0.963 58.993 58.000 0.050 0.000 1.340 2530 F CB -0.236 38.785 39.000 0.034 0.000 1.031 2530 F HN 0.121 nan 8.300 nan 0.000 0.500 2531 Y N 1.567 121.972 120.300 0.174 0.000 2.030 2531 Y HA -0.262 4.288 4.550 0.000 0.000 0.274 2531 Y C 2.473 178.435 175.900 0.103 0.000 1.153 2531 Y CA 1.587 59.775 58.100 0.146 0.000 1.115 2531 Y CB -0.834 37.690 38.460 0.106 0.000 0.969 2531 Y HN -0.157 nan 8.280 nan 0.000 0.488 2532 R N 0.585 120.874 120.500 -0.353 0.000 2.139 2532 R HA -0.150 4.190 4.340 0.000 0.000 0.243 2532 R C 2.366 178.557 176.300 -0.181 0.000 1.145 2532 R CA 1.183 57.011 56.100 -0.454 0.000 0.976 2532 R CB -1.224 28.908 30.300 -0.281 0.000 0.866 2532 R HN 0.547 nan 8.270 nan 0.000 0.449 2533 A N 0.577 123.364 122.820 -0.054 0.000 2.066 2533 A HA -0.037 4.283 4.320 0.000 0.000 0.218 2533 A C 2.167 179.781 177.584 0.050 0.000 1.157 2533 A CA 0.588 52.628 52.037 0.005 0.000 0.670 2533 A CB -0.256 18.727 19.000 -0.028 0.000 0.804 2533 A HN 0.220 nan 8.150 nan 0.000 0.453 2534 L N -0.861 120.415 121.223 0.089 0.000 2.209 2534 L HA -0.114 4.226 4.340 0.000 0.000 0.207 2534 L C 2.167 179.031 176.870 -0.010 0.000 1.094 2534 L CA 1.049 55.945 54.840 0.094 0.000 0.790 2534 L CB -0.246 41.941 42.059 0.214 0.000 0.932 2534 L HN 0.506 nan 8.230 nan 0.000 0.447 2535 C N -0.414 118.858 119.300 -0.046 0.000 2.435 2535 C HA -0.114 4.346 4.460 0.000 0.000 0.279 2535 C C 2.183 177.135 174.990 -0.062 0.000 1.321 2535 C CA 0.605 59.569 59.018 -0.090 0.000 1.752 2535 C CB -0.831 26.804 27.740 -0.174 0.000 1.959 2535 C HN 0.543 nan 8.230 nan 0.000 0.500 2536 D N 0.319 120.700 120.400 -0.031 0.000 2.363 2536 D HA -0.022 4.618 4.640 0.000 0.000 0.226 2536 D C 0.728 177.065 176.300 0.062 0.000 1.020 2536 D CA 0.485 54.505 54.000 0.033 0.000 0.892 2536 D CB -0.062 40.793 40.800 0.092 0.000 0.900 2536 D HN 0.310 nan 8.370 nan 0.000 0.531 2537 T N 1.529 116.094 114.554 0.018 0.000 2.899 2537 T HA 0.314 4.664 4.350 0.000 0.000 0.295 2537 T C -2.461 172.242 174.700 0.005 0.000 1.033 2537 T CA -1.168 60.940 62.100 0.014 0.000 1.084 2537 T CB 1.568 70.436 68.868 -0.000 0.000 0.979 2537 T HN 0.011 nan 8.240 nan 0.000 0.532 2538 P HA 0.297 nan 4.420 nan 0.000 0.274 2538 P C 0.966 178.285 177.300 0.032 0.000 1.231 2538 P CA 0.190 63.312 63.100 0.036 0.000 0.790 2538 P CB 0.435 32.163 31.700 0.047 0.000 0.951 2539 G N 0.236 109.064 108.800 0.046 0.000 2.302 2539 G HA2 -0.253 3.707 3.960 0.000 0.000 0.263 2539 G HA3 -0.253 3.707 3.960 0.000 0.000 0.263 2539 G C 0.239 175.179 174.900 0.067 0.000 0.995 2539 G CA 0.244 45.388 45.100 0.073 0.000 0.622 2539 G HN 0.549 nan 8.290 nan 0.000 0.538 2540 V N 1.399 121.272 119.914 -0.067 0.000 2.834 2540 V HA 0.513 4.633 4.120 0.000 0.000 0.301 2540 V C 0.063 176.081 176.094 -0.126 0.000 1.066 2540 V CA 0.064 62.180 62.300 -0.307 0.000 1.052 2540 V CB 1.826 33.337 31.823 -0.519 0.000 1.021 2540 V HN 0.360 nan 8.190 nan 0.000 0.480 2541 D N 4.848 125.199 120.400 -0.081 0.000 2.464 2541 D HA 0.355 4.995 4.640 0.000 0.000 0.243 2541 D C -1.881 174.400 176.300 -0.031 0.000 1.104 2541 D CA -2.065 51.932 54.000 -0.005 0.000 0.883 2541 D CB 2.119 42.961 40.800 0.070 0.000 1.050 2541 D HN 0.137 nan 8.370 nan 0.000 0.524 2542 P HA -0.197 nan 4.420 nan 0.000 0.218 2542 P C 1.206 178.522 177.300 0.027 0.000 1.150 2542 P CA 1.013 64.112 63.100 -0.003 0.000 0.841 2542 P CB 0.343 32.033 31.700 -0.016 0.000 0.784 2543 K N -0.867 119.540 120.400 0.010 0.000 2.442 2543 K HA -0.034 4.286 4.320 0.000 0.000 0.199 2543 K C 1.524 178.128 176.600 0.006 0.000 1.044 2543 K CA 0.933 57.228 56.287 0.013 0.000 0.941 2543 K CB -0.480 32.022 32.500 0.003 0.000 0.759 2543 K HN 0.330 nan 8.250 nan 0.000 0.472 2544 L N 0.623 121.846 121.223 -0.000 0.000 2.640 2544 L HA 0.272 4.612 4.340 0.000 0.000 0.230 2544 L C 0.682 177.458 176.870 -0.157 0.000 1.123 2544 L CA -0.136 54.682 54.840 -0.037 0.000 0.900 2544 L CB 0.045 42.117 42.059 0.022 0.000 1.146 2544 L HN -0.017 nan 8.230 nan 0.000 0.484 2545 I N -2.645 117.832 120.570 -0.155 0.000 2.500 2545 I HA 0.459 4.629 4.170 0.000 0.000 0.286 2545 I C 0.407 176.475 176.117 -0.081 0.000 1.063 2545 I CA -0.650 60.459 61.300 -0.317 0.000 1.062 2545 I CB 1.716 39.402 38.000 -0.523 0.000 1.223 2545 I HN -0.043 nan 8.210 nan 0.000 0.435 2546 S N 3.445 119.130 115.700 -0.026 0.000 2.598 2546 S HA 0.090 4.561 4.470 0.000 0.000 0.256 2546 S C 1.200 175.671 174.600 -0.215 0.000 1.350 2546 S CA 0.299 58.486 58.200 -0.021 0.000 0.984 2546 S CB 1.458 64.697 63.200 0.065 0.000 0.930 2546 S HN 0.808 nan 8.310 nan 0.000 0.577 2547 S N -0.223 115.284 115.700 -0.322 0.000 2.371 2547 S HA -0.084 4.386 4.470 0.000 0.000 0.224 2547 S C 1.799 176.273 174.600 -0.210 0.000 1.029 2547 S CA 1.036 58.902 58.200 -0.557 0.000 0.978 2547 S CB -1.018 62.033 63.200 -0.248 0.000 0.833 2547 S HN 0.599 nan 8.310 nan 0.000 0.466 2548 V N 0.717 120.595 119.914 -0.061 0.000 2.252 2548 V HA -0.199 3.921 4.120 0.000 0.000 0.249 2548 V C 1.976 178.086 176.094 0.025 0.000 1.056 2548 V CA 2.106 64.401 62.300 -0.008 0.000 1.022 2548 V CB -1.377 30.470 31.823 0.040 0.000 0.641 2548 V HN 0.723 nan 8.190 nan 0.000 0.445 2549 W N 0.928 122.184 121.300 -0.073 0.000 2.274 2549 W HA -0.295 4.366 4.660 0.000 0.000 0.333 2549 W C 2.472 178.988 176.519 -0.005 0.000 1.290 2549 W CA 3.022 60.372 57.345 0.008 0.000 1.208 2549 W CB -0.772 28.758 29.460 0.117 0.000 1.155 2549 W HN 0.036 nan 8.180 nan 0.000 0.462 2550 V N 0.764 120.893 119.914 0.359 0.000 2.568 2550 V HA -0.350 3.770 4.120 0.000 0.000 0.253 2550 V C 2.301 178.386 176.094 -0.015 0.000 1.072 2550 V CA 2.047 64.458 62.300 0.186 0.000 1.084 2550 V CB -1.318 30.689 31.823 0.305 0.000 0.676 2550 V HN 0.267 nan 8.190 nan 0.000 0.469 2551 S N 0.054 115.707 115.700 -0.080 0.000 2.351 2551 S HA -0.268 4.202 4.470 0.000 0.000 0.220 2551 S C 1.917 176.376 174.600 -0.235 0.000 1.035 2551 S CA 2.086 60.213 58.200 -0.121 0.000 1.031 2551 S CB -0.651 62.479 63.200 -0.117 0.000 0.928 2551 S HN 0.805 nan 8.310 nan 0.000 0.433 2552 N N 0.547 119.024 118.700 -0.373 0.000 2.013 2552 N HA -0.229 4.511 4.740 0.000 0.000 0.195 2552 N C 1.621 176.696 175.510 -0.726 0.000 1.051 2552 N CA 1.429 54.110 53.050 -0.614 0.000 0.851 2552 N CB -0.297 37.806 38.487 -0.639 0.000 1.044 2552 N HN 0.404 nan 8.380 nan 0.000 0.422 2553 H N -1.126 117.623 119.070 -0.535 0.000 2.518 2553 H HA -0.152 4.404 4.556 0.000 0.000 0.292 2553 H C 1.457 176.570 175.328 -0.358 0.000 1.068 2553 H CA 1.016 56.754 56.048 -0.516 0.000 1.275 2553 H CB -0.392 28.899 29.762 -0.786 0.000 1.375 2553 H HN 0.519 nan 8.280 nan 0.000 0.563 2554 Y N 1.599 121.700 120.300 -0.332 0.000 2.286 2554 Y HA -0.084 4.466 4.550 0.000 0.000 0.293 2554 Y C 2.785 178.462 175.900 -0.372 0.000 1.124 2554 Y CA 1.069 58.999 58.100 -0.284 0.000 1.178 2554 Y CB -0.061 38.272 38.460 -0.211 0.000 1.010 2554 Y HN -0.051 nan 8.280 nan 0.000 0.536 2555 R N -0.368 119.812 120.500 -0.532 0.000 2.094 2555 R HA -0.237 4.103 4.340 0.000 0.000 0.239 2555 R C 1.902 177.802 176.300 -0.667 0.000 1.137 2555 R CA 2.644 58.261 56.100 -0.805 0.000 0.943 2555 R CB -0.828 28.714 30.300 -1.262 0.000 0.850 2555 R HN 0.530 nan 8.270 nan 0.000 0.433 2556 W N 0.482 121.649 121.300 -0.223 0.000 2.441 2556 W HA 0.074 4.734 4.660 0.000 0.000 0.302 2556 W C 2.128 178.556 176.519 -0.151 0.000 1.191 2556 W CA -0.070 57.225 57.345 -0.082 0.000 1.327 2556 W CB -0.303 29.085 29.460 -0.120 0.000 1.128 2556 W HN 0.001 nan 8.180 nan 0.000 0.522 2557 I N 0.571 121.096 120.570 -0.074 0.000 2.236 2557 I HA -0.360 3.810 4.170 0.000 0.000 0.249 2557 I C 2.013 177.986 176.117 -0.241 0.000 1.102 2557 I CA 1.446 62.639 61.300 -0.178 0.000 1.365 2557 I CB -1.005 36.854 38.000 -0.235 0.000 1.051 2557 I HN -0.082 nan 8.210 nan 0.000 0.420 2558 V N -0.455 119.226 119.914 -0.389 0.000 2.283 2558 V HA -0.244 3.876 4.120 0.000 0.000 0.243 2558 V C 2.099 178.059 176.094 -0.223 0.000 1.039 2558 V CA 1.634 63.661 62.300 -0.455 0.000 1.016 2558 V CB -0.941 30.417 31.823 -0.775 0.000 0.650 2558 V HN 0.564 nan 8.190 nan 0.000 0.449 2559 W N 1.738 122.844 121.300 -0.324 0.000 2.305 2559 W HA -0.265 4.396 4.660 0.000 0.000 0.308 2559 W C 2.557 179.019 176.519 -0.096 0.000 1.226 2559 W CA 2.472 59.715 57.345 -0.171 0.000 1.253 2559 W CB -0.367 29.067 29.460 -0.043 0.000 1.146 2559 W HN 0.198 nan 8.180 nan 0.000 0.507 2560 K N -0.116 120.243 120.400 -0.068 0.000 1.973 2560 K HA -0.203 4.118 4.320 0.000 0.000 0.212 2560 K C 2.218 178.719 176.600 -0.165 0.000 1.047 2560 K CA 2.140 58.308 56.287 -0.197 0.000 0.937 2560 K CB -0.890 31.526 32.500 -0.139 0.000 0.721 2560 K HN 0.227 nan 8.250 nan 0.000 0.440 2561 L N 1.055 122.186 121.223 -0.153 0.000 2.081 2561 L HA -0.224 4.116 4.340 0.000 0.000 0.212 2561 L C 2.721 179.540 176.870 -0.086 0.000 1.080 2561 L CA 1.379 56.135 54.840 -0.139 0.000 0.754 2561 L CB -0.654 41.319 42.059 -0.142 0.000 0.893 2561 L HN 0.347 nan 8.230 nan 0.000 0.433 2562 A N 0.215 122.970 122.820 -0.109 0.000 1.851 2562 A HA -0.227 4.093 4.320 0.000 0.000 0.216 2562 A C 2.562 180.170 177.584 0.041 0.000 1.195 2562 A CA 2.136 54.137 52.037 -0.060 0.000 0.622 2562 A CB -1.022 17.934 19.000 -0.074 0.000 0.831 2562 A HN 0.394 nan 8.150 nan 0.000 0.444 2563 A N -0.409 122.408 122.820 -0.006 0.000 1.837 2563 A HA -0.244 4.076 4.320 0.000 0.000 0.216 2563 A C 2.230 179.888 177.584 0.124 0.000 1.210 2563 A CA 2.375 54.444 52.037 0.052 0.000 0.632 2563 A CB -0.922 18.013 19.000 -0.108 0.000 0.843 2563 A HN 0.561 nan 8.150 nan 0.000 0.448 2564 M N -1.157 118.502 119.600 0.099 0.000 2.177 2564 M HA -0.329 4.151 4.480 0.000 0.000 0.248 2564 M C 2.025 178.544 176.300 0.365 0.000 1.091 2564 M CA 2.379 57.825 55.300 0.244 0.000 1.065 2564 M CB -0.729 31.834 32.600 -0.061 0.000 1.345 2564 M HN 0.580 nan 8.290 nan 0.000 0.397 2565 E N -0.809 119.530 120.200 0.230 0.000 2.086 2565 E HA -0.101 4.250 4.350 0.000 0.000 0.190 2565 E C 1.738 178.455 176.600 0.196 0.000 0.975 2565 E CA 0.676 57.217 56.400 0.234 0.000 0.813 2565 E CB -0.019 29.796 29.700 0.191 0.000 0.768 2565 E HN 0.430 nan 8.360 nan 0.000 0.457 2566 F N 1.158 121.134 119.950 0.043 0.000 2.259 2566 F HA -0.004 4.524 4.527 0.000 0.000 0.298 2566 F C 1.938 177.690 175.800 -0.080 0.000 1.088 2566 F CA 1.192 59.191 58.000 -0.001 0.000 1.358 2566 F CB -0.083 38.916 39.000 -0.001 0.000 1.040 2566 F HN -0.071 nan 8.300 nan 0.000 0.505 2567 A N -0.894 121.799 122.820 -0.211 0.000 1.903 2567 A HA 0.049 4.369 4.320 0.000 0.000 0.213 2567 A C 0.727 177.819 177.584 -0.820 0.000 1.185 2567 A CA 0.790 52.497 52.037 -0.550 0.000 0.628 2567 A CB -0.767 17.975 19.000 -0.430 0.000 0.830 2567 A HN 0.279 nan 8.150 nan 0.000 0.446 2568 F N -1.061 118.790 119.950 -0.165 0.000 2.627 2568 F HA 0.345 4.872 4.527 0.000 0.000 0.329 2568 F C -2.029 173.621 175.800 -0.250 0.000 1.378 2568 F CA -1.857 55.997 58.000 -0.243 0.000 1.134 2568 F CB 0.977 39.810 39.000 -0.278 0.000 1.229 2568 F HN 0.076 nan 8.300 nan 0.000 0.537 2569 P HA -0.232 nan 4.420 nan 0.000 0.222 2569 P C 1.485 178.515 177.300 -0.449 0.000 1.139 2569 P CA 1.512 64.516 63.100 -0.161 0.000 0.790 2569 P CB 0.241 31.883 31.700 -0.097 0.000 0.757 2570 K N -0.837 119.223 120.400 -0.567 0.000 2.240 2570 K HA -0.020 4.300 4.320 0.000 0.000 0.202 2570 K C 1.838 178.180 176.600 -0.429 0.000 1.053 2570 K CA 0.400 56.215 56.287 -0.788 0.000 0.973 2570 K CB 0.159 32.222 32.500 -0.729 0.000 0.924 2570 K HN -0.114 nan 8.250 nan 0.000 0.477 2571 E N 0.253 120.200 120.200 -0.422 0.000 2.031 2571 E HA -0.150 4.201 4.350 0.000 0.000 0.193 2571 E C 1.288 177.543 176.600 -0.574 0.000 0.994 2571 E CA 1.291 57.325 56.400 -0.611 0.000 0.800 2571 E CB -0.056 29.021 29.700 -1.038 0.000 0.752 2571 E HN 0.315 nan 8.360 nan 0.000 0.447 2572 F N -0.065 119.861 119.950 -0.041 0.000 2.654 2572 F HA 0.473 5.000 4.527 0.000 0.000 0.303 2572 F C 1.717 177.517 175.800 0.001 0.000 1.099 2572 F CA -0.328 57.663 58.000 -0.015 0.000 1.270 2572 F CB -0.555 38.450 39.000 0.009 0.000 1.024 2572 F HN -0.071 nan 8.300 nan 0.000 0.548 2573 A N 1.589 124.443 122.820 0.057 0.000 1.818 2573 A HA -0.419 3.901 4.320 0.000 0.000 0.310 2573 A C 1.411 179.082 177.584 0.145 0.000 3.572 2573 A CA 2.839 54.914 52.037 0.063 0.000 0.984 2573 A CB -1.254 17.776 19.000 0.049 0.000 0.719 2573 A HN 0.484 nan 8.150 nan 0.000 0.500 2574 N N -1.732 117.054 118.700 0.142 0.000 2.651 2574 N HA 0.356 5.096 4.740 0.000 0.000 0.277 2574 N C 0.124 175.709 175.510 0.124 0.000 1.787 2574 N CA -0.046 53.092 53.050 0.146 0.000 0.818 2574 N CB 0.338 38.912 38.487 0.145 0.000 1.316 2574 N HN 0.470 nan 8.380 nan 0.000 0.503 2575 R N -0.996 119.578 120.500 0.124 0.000 2.521 2575 R HA 0.351 4.691 4.340 0.000 0.000 0.289 2575 R C 0.606 176.938 176.300 0.055 0.000 0.936 2575 R CA 0.039 56.194 56.100 0.090 0.000 1.089 2575 R CB 0.077 30.441 30.300 0.107 0.000 1.348 2575 R HN 0.270 nan 8.270 nan 0.000 0.536 2576 C N 0.366 119.699 119.300 0.055 0.000 2.543 2576 C HA 0.251 4.711 4.460 0.000 0.000 0.289 2576 C C 0.754 175.745 174.990 0.002 0.000 1.368 2576 C CA -0.334 58.675 59.018 -0.016 0.000 1.778 2576 C CB -0.213 27.480 27.740 -0.078 0.000 2.155 2576 C HN 0.250 nan 8.230 nan 0.000 0.529 2577 L N 3.752 125.010 121.223 0.058 0.000 2.315 2577 L HA 0.389 4.730 4.340 0.000 0.000 0.283 2577 L C -0.357 176.671 176.870 0.264 0.000 1.089 2577 L CA 0.777 55.693 54.840 0.126 0.000 0.833 2577 L CB -0.671 41.437 42.059 0.081 0.000 1.170 2577 L HN 0.743 nan 8.230 nan 0.000 0.442 2578 N N 2.608 121.478 118.700 0.284 0.000 3.836 2578 N HA 0.340 5.080 4.740 0.000 0.000 0.229 2578 N C -2.884 172.300 175.510 -0.544 0.000 1.375 2578 N CA -1.029 51.957 53.050 -0.107 0.000 0.838 2578 N CB 0.673 38.999 38.487 -0.269 0.000 1.447 2578 N HN 0.031 nan 8.380 nan 0.000 0.458 2579 P HA -0.057 nan 4.420 nan 0.000 0.215 2579 P C 1.010 178.286 177.300 -0.039 0.000 1.157 2579 P CA 1.356 64.271 63.100 -0.309 0.000 0.859 2579 P CB 0.200 31.800 31.700 -0.167 0.000 0.786 2580 E N -0.220 119.915 120.200 -0.107 0.000 2.147 2580 E HA -0.244 4.106 4.350 0.000 0.000 0.199 2580 E C 2.034 178.622 176.600 -0.021 0.000 1.005 2580 E CA 1.562 57.936 56.400 -0.043 0.000 0.810 2580 E CB -0.300 29.356 29.700 -0.074 0.000 0.736 2580 E HN -0.038 nan 8.360 nan 0.000 0.460 2581 R N -0.571 119.895 120.500 -0.058 0.000 2.057 2581 R HA 0.077 4.417 4.340 0.000 0.000 0.224 2581 R C 2.430 178.700 176.300 -0.050 0.000 1.136 2581 R CA 1.096 57.164 56.100 -0.054 0.000 0.968 2581 R CB -0.849 29.407 30.300 -0.073 0.000 0.863 2581 R HN 0.176 nan 8.270 nan 0.000 0.433 2582 V N 2.053 121.908 119.914 -0.098 0.000 2.828 2582 V HA -0.167 3.953 4.120 0.000 0.000 0.260 2582 V C 2.230 178.304 176.094 -0.032 0.000 1.101 2582 V CA 1.227 63.426 62.300 -0.168 0.000 1.123 2582 V CB -0.425 31.141 31.823 -0.428 0.000 0.704 2582 V HN 0.238 nan 8.190 nan 0.000 0.493 2583 L N -1.383 119.914 121.223 0.124 0.000 2.425 2583 L HA 0.205 4.545 4.340 0.000 0.000 0.215 2583 L C 2.042 179.002 176.870 0.150 0.000 1.065 2583 L CA 1.041 56.025 54.840 0.239 0.000 0.842 2583 L CB 0.059 42.311 42.059 0.322 0.000 1.033 2583 L HN 0.271 nan 8.230 nan 0.000 0.474 2584 L N -0.362 120.916 121.223 0.091 0.000 2.131 2584 L HA -0.231 4.109 4.340 0.000 0.000 0.210 2584 L C 2.428 179.358 176.870 0.100 0.000 1.092 2584 L CA 1.298 56.184 54.840 0.075 0.000 0.759 2584 L CB 0.090 42.164 42.059 0.024 0.000 0.903 2584 L HN 0.412 nan 8.230 nan 0.000 0.435 2585 Q N -0.988 118.856 119.800 0.074 0.000 2.259 2585 Q HA -0.080 4.260 4.340 0.000 0.000 0.201 2585 Q C 2.299 178.403 176.000 0.173 0.000 0.938 2585 Q CA 0.496 56.357 55.803 0.098 0.000 0.872 2585 Q CB 0.200 28.931 28.738 -0.012 0.000 0.971 2585 Q HN 0.453 nan 8.270 nan 0.000 0.494 2586 L N 1.099 122.403 121.223 0.136 0.000 2.081 2586 L HA -0.257 4.083 4.340 0.000 0.000 0.212 2586 L C 2.360 179.410 176.870 0.300 0.000 1.080 2586 L CA 1.197 56.142 54.840 0.175 0.000 0.754 2586 L CB -0.136 42.052 42.059 0.216 0.000 0.893 2586 L HN 0.088 nan 8.230 nan 0.000 0.433 2587 K N -0.794 119.782 120.400 0.293 0.000 2.103 2587 K HA -0.240 4.080 4.320 0.000 0.000 0.204 2587 K C 1.977 178.828 176.600 0.417 0.000 1.052 2587 K CA 1.350 57.839 56.287 0.338 0.000 0.945 2587 K CB -0.537 32.108 32.500 0.241 0.000 0.722 2587 K HN 0.237 nan 8.250 nan 0.000 0.443 2588 Y N 1.377 121.818 120.300 0.236 0.000 2.030 2588 Y HA -0.235 4.315 4.550 0.000 0.000 0.274 2588 Y C 1.936 178.020 175.900 0.307 0.000 1.153 2588 Y CA 2.249 60.504 58.100 0.259 0.000 1.115 2588 Y CB -0.419 38.157 38.460 0.194 0.000 0.969 2588 Y HN 0.001 nan 8.280 nan 0.000 0.488 2589 R N -1.304 119.324 120.500 0.214 0.000 2.154 2589 R HA -0.281 4.059 4.340 0.000 0.000 0.248 2589 R C 2.193 178.695 176.300 0.336 0.000 1.155 2589 R CA 1.974 58.154 56.100 0.133 0.000 0.979 2589 R CB -0.804 29.277 30.300 -0.365 0.000 0.869 2589 R HN 0.584 nan 8.270 nan 0.000 0.452 2590 Y N 1.532 122.031 120.300 0.332 0.000 2.184 2590 Y HA -0.159 4.391 4.550 0.000 0.000 0.290 2590 Y C 1.842 177.794 175.900 0.086 0.000 1.129 2590 Y CA 1.415 59.706 58.100 0.319 0.000 1.144 2590 Y CB -0.059 38.561 38.460 0.267 0.000 0.995 2590 Y HN -0.013 nan 8.280 nan 0.000 0.513 2591 D N -0.203 120.212 120.400 0.025 0.000 2.078 2591 D HA -0.199 4.441 4.640 0.000 0.000 0.193 2591 D C 2.404 178.435 176.300 -0.448 0.000 0.990 2591 D CA 1.895 55.730 54.000 -0.276 0.000 0.827 2591 D CB -0.541 40.122 40.800 -0.228 0.000 0.975 2591 D HN 0.295 nan 8.370 nan 0.000 0.451 2592 V N 1.290 121.042 119.914 -0.271 0.000 2.215 2592 V HA -0.305 3.815 4.120 0.000 0.000 0.249 2592 V C 2.564 178.576 176.094 -0.136 0.000 1.054 2592 V CA 2.473 64.683 62.300 -0.150 0.000 1.012 2592 V CB -0.597 31.129 31.823 -0.162 0.000 0.639 2592 V HN 0.258 nan 8.190 nan 0.000 0.448 2593 E N -0.771 119.409 120.200 -0.033 0.000 2.047 2593 E HA -0.177 4.173 4.350 0.000 0.000 0.191 2593 E C 2.125 178.677 176.600 -0.081 0.000 0.987 2593 E CA 1.456 57.865 56.400 0.015 0.000 0.799 2593 E CB -0.026 29.864 29.700 0.316 0.000 0.752 2593 E HN 0.469 nan 8.360 nan 0.000 0.449 2594 I N 1.506 121.924 120.570 -0.252 0.000 2.260 2594 I HA -0.136 4.034 4.170 0.000 0.000 0.237 2594 I C 1.755 177.658 176.117 -0.358 0.000 1.075 2594 I CA 1.132 62.192 61.300 -0.401 0.000 1.376 2594 I CB -1.039 36.435 38.000 -0.876 0.000 1.107 2594 I HN 0.151 nan 8.210 nan 0.000 0.420 2595 D N 0.639 120.770 120.400 -0.448 0.000 2.234 2595 D HA -0.071 4.569 4.640 0.000 0.000 0.205 2595 D C 1.583 177.752 176.300 -0.218 0.000 0.962 2595 D CA 0.789 54.615 54.000 -0.290 0.000 0.855 2595 D CB -0.058 40.575 40.800 -0.278 0.000 0.951 2595 D HN 0.335 nan 8.370 nan 0.000 0.500 2596 N N -0.310 118.246 118.700 -0.240 0.000 2.254 2596 N HA 0.002 4.742 4.740 0.000 0.000 0.190 2596 N C 0.234 175.690 175.510 -0.090 0.000 1.107 2596 N CA 0.171 53.136 53.050 -0.142 0.000 0.869 2596 N CB 1.008 39.422 38.487 -0.123 0.000 0.983 2596 N HN -0.162 nan 8.380 nan 0.000 0.487 2597 S N -0.356 115.278 115.700 -0.111 0.000 2.981 2597 S HA -0.176 4.294 4.470 0.000 0.000 0.274 2597 S C 0.285 174.835 174.600 -0.083 0.000 1.297 2597 S CA 0.684 58.834 58.200 -0.083 0.000 1.266 2597 S CB -1.501 61.663 63.200 -0.061 0.000 1.542 2597 S HN 0.423 nan 8.310 nan 0.000 0.674 2598 S N 1.905 117.548 115.700 -0.094 0.000 2.561 2598 S HA 0.228 4.698 4.470 0.000 0.000 0.294 2598 S C 0.467 174.954 174.600 -0.189 0.000 1.294 2598 S CA 0.197 58.319 58.200 -0.130 0.000 1.055 2598 S CB 0.350 63.462 63.200 -0.146 0.000 0.819 2598 S HN 0.428 nan 8.310 nan 0.000 0.503 2599 R N 0.921 121.298 120.500 -0.205 0.000 2.575 2599 R HA 0.409 4.749 4.340 0.000 0.000 0.293 2599 R C 0.045 176.153 176.300 -0.320 0.000 0.983 2599 R CA -0.472 55.493 56.100 -0.225 0.000 0.887 2599 R CB 1.870 32.088 30.300 -0.136 0.000 1.184 2599 R HN 0.717 nan 8.270 nan 0.000 0.445 2600 S N 1.570 117.049 115.700 -0.369 0.000 2.572 2600 S HA -0.017 4.453 4.470 0.000 0.000 0.262 2600 S C 1.446 175.836 174.600 -0.349 0.000 1.375 2600 S CA 0.556 58.529 58.200 -0.379 0.000 0.996 2600 S CB 0.889 64.065 63.200 -0.040 0.000 0.892 2600 S HN 0.703 nan 8.310 nan 0.000 0.562 2601 A N 2.816 125.361 122.820 -0.459 0.000 1.855 2601 A HA 0.041 4.361 4.320 0.000 0.000 0.215 2601 A C 2.255 179.570 177.584 -0.447 0.000 1.191 2601 A CA 1.502 53.045 52.037 -0.824 0.000 0.613 2601 A CB -1.070 17.308 19.000 -1.037 0.000 0.829 2601 A HN 0.844 nan 8.150 nan 0.000 0.442 2602 L N -0.810 120.273 121.223 -0.233 0.000 2.353 2602 L HA -0.185 4.155 4.340 0.000 0.000 0.220 2602 L C 2.438 179.234 176.870 -0.124 0.000 1.133 2602 L CA 1.433 56.211 54.840 -0.103 0.000 0.798 2602 L CB -0.302 41.758 42.059 0.002 0.000 0.922 2602 L HN 0.390 nan 8.230 nan 0.000 0.445 2603 K N 0.835 121.123 120.400 -0.188 0.000 1.974 2603 K HA -0.143 4.177 4.320 0.000 0.000 0.211 2603 K C 1.996 178.513 176.600 -0.139 0.000 1.039 2603 K CA 1.537 57.681 56.287 -0.238 0.000 0.947 2603 K CB -0.154 32.192 32.500 -0.256 0.000 0.735 2603 K HN -0.089 nan 8.250 nan 0.000 0.441 2604 K N 0.257 120.591 120.400 -0.110 0.000 2.059 2604 K HA -0.176 4.144 4.320 0.000 0.000 0.212 2604 K C 2.021 178.627 176.600 0.010 0.000 1.050 2604 K CA 1.681 57.953 56.287 -0.025 0.000 0.927 2604 K CB -0.328 32.201 32.500 0.048 0.000 0.714 2604 K HN 0.151 nan 8.250 nan 0.000 0.447 2605 I N 1.210 121.789 120.570 0.015 0.000 2.032 2605 I HA -0.331 3.839 4.170 0.000 0.000 0.231 2605 I C 2.326 178.451 176.117 0.014 0.000 1.035 2605 I CA 1.451 62.782 61.300 0.052 0.000 1.312 2605 I CB -1.138 36.886 38.000 0.041 0.000 1.041 2605 I HN 0.240 nan 8.210 nan 0.000 0.390 2606 L N 0.419 121.633 121.223 -0.014 0.000 2.129 2606 L HA -0.210 4.130 4.340 0.000 0.000 0.212 2606 L C 2.257 179.115 176.870 -0.020 0.000 1.087 2606 L CA 1.610 56.441 54.840 -0.015 0.000 0.757 2606 L CB -1.140 40.902 42.059 -0.028 0.000 0.896 2606 L HN 0.442 nan 8.230 nan 0.000 0.434 2607 E N -0.160 120.019 120.200 -0.035 0.000 2.511 2607 E HA -0.156 4.194 4.350 0.000 0.000 0.196 2607 E C 1.013 177.606 176.600 -0.012 0.000 1.066 2607 E CA -0.107 56.274 56.400 -0.030 0.000 0.871 2607 E CB 0.086 29.757 29.700 -0.049 0.000 0.863 2607 E HN 0.173 nan 8.360 nan 0.000 0.520 2608 R N -0.045 120.455 120.500 -0.001 0.000 3.946 2608 R HA -0.203 4.137 4.340 0.000 0.000 0.329 2608 R C -0.066 176.239 176.300 0.007 0.000 1.209 2608 R CA 1.189 57.293 56.100 0.007 0.000 0.909 2608 R CB -1.340 28.962 30.300 0.003 0.000 1.355 2608 R HN 0.207 nan 8.270 nan 0.000 0.539 2609 D N -0.431 119.974 120.400 0.008 0.000 2.328 2609 D HA 0.026 4.666 4.640 0.000 0.000 0.221 2609 D C 0.040 176.354 176.300 0.023 0.000 1.072 2609 D CA 0.883 54.888 54.000 0.008 0.000 0.850 2609 D CB 0.278 41.078 40.800 -0.000 0.000 0.922 2609 D HN 0.397 nan 8.370 nan 0.000 0.516 2610 D N -1.006 119.418 120.400 0.039 0.000 4.356 2610 D HA -0.113 4.527 4.640 0.000 0.000 0.212 2610 D C 0.710 177.059 176.300 0.082 0.000 1.367 2610 D CA -0.031 54.005 54.000 0.060 0.000 0.791 2610 D CB -0.830 40.038 40.800 0.114 0.000 1.503 2610 D HN -0.202 nan 8.370 nan 0.000 0.800 2611 T N -0.752 113.832 114.554 0.050 0.000 3.423 2611 T HA -0.013 4.337 4.350 0.000 0.000 0.266 2611 T C 1.848 176.574 174.700 0.043 0.000 1.208 2611 T CA 1.491 63.621 62.100 0.049 0.000 1.017 2611 T CB -0.556 68.327 68.868 0.024 0.000 0.916 2611 T HN 0.384 nan 8.240 nan 0.000 0.572 2612 A N 1.441 124.280 122.820 0.031 0.000 1.896 2612 A HA 0.162 4.483 4.320 0.000 0.000 0.220 2612 A C 1.725 179.311 177.584 0.003 0.000 1.206 2612 A CA 1.791 53.816 52.037 -0.021 0.000 0.647 2612 A CB -1.562 17.373 19.000 -0.108 0.000 0.828 2612 A HN 1.898 nan 8.150 nan 0.000 0.455 2613 A N -1.408 121.457 122.820 0.075 0.000 2.060 2613 A HA -0.136 4.184 4.320 0.000 0.000 0.267 2613 A C 0.786 178.386 177.584 0.027 0.000 1.378 2613 A CA 1.485 53.579 52.037 0.094 0.000 0.733 2613 A CB -1.587 17.447 19.000 0.058 0.000 1.188 2613 A HN 1.007 nan 8.150 nan 0.000 0.311 2614 K N -0.329 120.072 120.400 0.002 0.000 4.623 2614 K HA 0.470 4.790 4.320 0.000 0.000 0.211 2614 K C 0.648 177.226 176.600 -0.036 0.000 1.111 2614 K CA 0.524 56.768 56.287 -0.072 0.000 1.955 2614 K CB -0.100 32.289 32.500 -0.185 0.000 2.808 2614 K HN 0.810 nan 8.250 nan 0.000 0.599 2615 T N 3.024 117.546 114.554 -0.053 0.000 2.891 2615 T HA 0.382 4.732 4.350 0.000 0.000 0.315 2615 T C -0.579 174.232 174.700 0.184 0.000 1.054 2615 T CA -0.761 61.338 62.100 -0.002 0.000 0.958 2615 T CB -0.438 68.388 68.868 -0.071 0.000 1.008 2615 T HN 0.198 nan 8.240 nan 0.000 0.521 2616 L N 4.740 126.072 121.223 0.183 0.000 2.352 2616 L HA 0.630 4.970 4.340 0.000 0.000 0.269 2616 L C -0.011 176.940 176.870 0.136 0.000 1.034 2616 L CA -0.893 54.079 54.840 0.220 0.000 0.806 2616 L CB 1.919 44.072 42.059 0.156 0.000 1.244 2616 L HN 0.323 nan 8.230 nan 0.000 0.447 2617 V N 4.028 124.018 119.914 0.128 0.000 2.327 2617 V HA 0.386 4.506 4.120 0.000 0.000 0.272 2617 V C 0.216 176.337 176.094 0.045 0.000 1.019 2617 V CA -0.328 62.026 62.300 0.090 0.000 0.814 2617 V CB 1.315 33.220 31.823 0.136 0.000 1.040 2617 V HN 0.488 nan 8.190 nan 0.000 0.440 2618 L N 2.910 124.150 121.223 0.028 0.000 2.365 2618 L HA 0.737 5.077 4.340 0.000 0.000 0.267 2618 L C 0.077 176.952 176.870 0.009 0.000 1.033 2618 L CA -0.496 54.347 54.840 0.006 0.000 0.802 2618 L CB 1.775 43.838 42.059 0.006 0.000 1.267 2618 L HN 0.613 nan 8.230 nan 0.000 0.457 2619 C N 0.629 119.930 119.300 0.002 0.000 2.848 2619 C HA 0.767 5.227 4.460 0.000 0.000 0.317 2619 C C -0.315 174.720 174.990 0.074 0.000 1.260 2619 C CA -0.624 58.415 59.018 0.035 0.000 1.656 2619 C CB 1.662 29.412 27.740 0.016 0.000 2.174 2619 C HN 0.582 nan 8.230 nan 0.000 0.479 2620 V N 3.744 123.731 119.914 0.121 0.000 2.432 2620 V HA 0.619 4.740 4.120 0.000 0.000 0.275 2620 V C 0.631 176.864 176.094 0.232 0.000 1.043 2620 V CA 0.627 63.007 62.300 0.132 0.000 0.925 2620 V CB 0.758 32.645 31.823 0.105 0.000 0.985 2620 V HN 1.075 nan 8.190 nan 0.000 0.466 2621 S N 0.868 116.663 115.700 0.158 0.000 2.540 2621 S HA 0.296 4.767 4.470 0.000 0.000 0.222 2621 S C 0.159 174.752 174.600 -0.011 0.000 1.008 2621 S CA 0.409 58.665 58.200 0.094 0.000 0.939 2621 S CB -0.017 63.251 63.200 0.113 0.000 0.865 2621 S HN 1.000 nan 8.310 nan 0.000 0.499 2622 D N -0.190 120.227 120.400 0.028 0.000 2.842 2622 D HA 0.220 4.861 4.640 0.000 0.000 0.248 2622 D C -1.806 174.504 176.300 0.017 0.000 1.140 2622 D CA -0.375 53.626 54.000 0.002 0.000 0.728 2622 D CB 0.522 41.309 40.800 -0.023 0.000 1.595 2622 D HN 0.176 nan 8.370 nan 0.000 0.450 2623 I N 3.399 123.976 120.570 0.012 0.000 2.316 2623 I HA 0.246 4.416 4.170 0.000 0.000 0.286 2623 I C 0.513 176.633 176.117 0.006 0.000 1.107 2623 I CA -0.796 60.511 61.300 0.012 0.000 1.219 2623 I CB 0.460 38.467 38.000 0.013 0.000 1.455 2623 I HN 0.325 nan 8.210 nan 0.000 0.498 2624 I N 4.751 125.325 120.570 0.007 0.000 3.015 2624 I HA -0.132 4.038 4.170 0.000 0.000 0.309 2624 I C 0.929 177.048 176.117 0.002 0.000 1.229 2624 I CA 0.910 62.212 61.300 0.005 0.000 1.430 2624 I CB -0.203 37.802 38.000 0.008 0.000 1.347 2624 I HN 0.565 nan 8.210 nan 0.000 0.544 2625 S N 7.386 123.086 115.700 0.001 0.000 2.461 2625 S HA 0.712 5.182 4.470 0.000 0.000 0.322 2625 S C 0.124 174.724 174.600 -0.000 0.000 1.063 2625 S CA -0.758 57.441 58.200 -0.000 0.000 1.120 2625 S CB 1.747 64.946 63.200 -0.001 0.000 0.968 2625 S HN 0.558 nan 8.310 nan 0.000 0.467 2626 L N 2.009 123.232 121.223 0.000 0.000 3.878 2626 L HA 0.348 4.688 4.340 0.000 0.000 0.207 2626 L C 1.261 178.131 176.870 -0.000 0.000 1.209 2626 L CA -0.310 54.531 54.840 0.001 0.000 1.453 2626 L CB -0.860 41.200 42.059 0.002 0.000 1.818 2626 L HN 0.749 nan 8.230 nan 0.000 0.806 2646 V N 2.590 122.502 119.914 -0.004 0.000 2.443 2646 V HA 0.245 4.365 4.120 0.000 0.000 0.272 2646 V C 0.400 176.492 176.094 -0.004 0.000 1.002 2646 V CA -0.433 61.865 62.300 -0.003 0.000 0.840 2646 V CB 0.892 32.712 31.823 -0.004 0.000 1.042 2646 V HN 0.511 nan 8.190 nan 0.000 0.446 2647 D N 3.748 124.147 120.400 -0.002 0.000 1.872 2647 D HA -0.069 4.572 4.640 0.000 0.000 0.274 2647 D C 1.436 177.734 176.300 -0.003 0.000 1.117 2647 D CA 2.344 56.343 54.000 -0.002 0.000 0.998 2647 D CB 0.372 41.173 40.800 0.001 0.000 1.521 2647 D HN 0.663 nan 8.370 nan 0.000 0.549 2648 T N -2.489 112.065 114.554 0.000 0.000 2.511 2648 T HA 0.540 4.890 4.350 0.000 0.000 0.209 2648 T C 0.131 174.834 174.700 0.005 0.000 0.805 2648 T CA -0.215 61.885 62.100 0.000 0.000 1.241 2648 T CB 0.083 68.952 68.868 0.002 0.000 1.785 2648 T HN 0.419 nan 8.240 nan 0.000 0.492 2649 I N -2.007 118.568 120.570 0.010 0.000 3.102 2649 I HA 0.727 4.897 4.170 0.000 0.000 0.310 2649 I C -1.283 174.849 176.117 0.025 0.000 1.246 2649 I CA -1.215 60.095 61.300 0.017 0.000 0.979 2649 I CB 2.481 40.493 38.000 0.019 0.000 1.267 2649 I HN 0.759 nan 8.210 nan 0.000 0.451 2650 E N 3.178 123.399 120.200 0.034 0.000 2.175 2650 E HA 0.606 4.956 4.350 0.000 0.000 0.278 2650 E C -1.670 174.959 176.600 0.048 0.000 0.969 2650 E CA -0.734 55.693 56.400 0.046 0.000 0.796 2650 E CB 1.640 31.375 29.700 0.058 0.000 1.104 2650 E HN 0.556 nan 8.360 nan 0.000 0.395 2651 L N 3.783 125.029 121.223 0.038 0.000 2.325 2651 L HA 0.385 4.726 4.340 0.000 0.000 0.281 2651 L C -0.011 176.850 176.870 -0.016 0.000 1.004 2651 L CA -0.579 54.273 54.840 0.020 0.000 0.823 2651 L CB 1.968 44.038 42.059 0.018 0.000 1.236 2651 L HN 0.487 nan 8.230 nan 0.000 0.415 2652 T N -0.533 113.968 114.554 -0.089 0.000 2.856 2652 T HA 0.325 4.675 4.350 0.000 0.000 0.283 2652 T C -0.064 174.501 174.700 -0.225 0.000 1.008 2652 T CA -0.610 61.326 62.100 -0.273 0.000 0.997 2652 T CB 1.242 69.635 68.868 -0.792 0.000 0.992 2652 T HN 0.709 nan 8.240 nan 0.000 0.454 2653 D N 1.762 122.051 120.400 -0.186 0.000 2.463 2653 D HA 0.345 4.986 4.640 0.000 0.000 0.224 2653 D C 1.419 177.703 176.300 -0.028 0.000 1.174 2653 D CA 0.282 54.234 54.000 -0.081 0.000 0.829 2653 D CB -0.159 40.621 40.800 -0.033 0.000 0.993 2653 D HN 0.928 nan 8.370 nan 0.000 0.497 2654 G N -0.395 108.243 108.800 -0.271 0.000 2.258 2654 G HA2 -0.314 3.646 3.960 0.000 0.000 0.233 2654 G HA3 -0.314 3.646 3.960 0.000 0.000 0.233 2654 G C 0.617 175.301 174.900 -0.361 0.000 1.006 2654 G CA 0.120 45.065 45.100 -0.257 0.000 0.620 2654 G HN 0.292 nan 8.290 nan 0.000 0.511 2655 W N -0.685 120.441 121.300 -0.290 0.000 3.063 2655 W HA 0.641 5.301 4.660 0.000 0.000 0.246 2655 W C 0.602 176.828 176.519 -0.488 0.000 1.145 2655 W CA 0.038 57.300 57.345 -0.137 0.000 1.510 2655 W CB 0.381 29.979 29.460 0.230 0.000 0.904 2655 W HN 0.203 nan 8.180 nan 0.000 0.679 2656 Y N -0.658 119.721 120.300 0.130 0.000 2.625 2656 Y HA 0.693 5.244 4.550 0.000 0.000 0.338 2656 Y C 0.022 175.945 175.900 0.038 0.000 1.123 2656 Y CA -2.248 55.944 58.100 0.152 0.000 1.046 2656 Y CB 0.868 39.413 38.460 0.141 0.000 1.299 2656 Y HN -0.240 nan 8.280 nan 0.000 0.464 2657 A N 0.712 123.688 122.820 0.260 0.000 2.430 2657 A HA 0.987 5.307 4.320 0.000 0.000 0.300 2657 A C -1.352 176.312 177.584 0.134 0.000 1.124 2657 A CA -0.706 51.421 52.037 0.150 0.000 0.766 2657 A CB 1.399 20.534 19.000 0.225 0.000 1.328 2657 A HN 0.979 nan 8.150 nan 0.000 0.424 2658 V N -1.940 118.024 119.914 0.084 0.000 3.087 2658 V HA 0.571 4.691 4.120 0.000 0.000 0.306 2658 V C -0.850 175.273 176.094 0.049 0.000 1.187 2658 V CA -1.203 61.137 62.300 0.066 0.000 0.999 2658 V CB 1.710 33.564 31.823 0.052 0.000 1.049 2658 V HN 0.804 nan 8.190 nan 0.000 0.431 2659 K N 1.874 122.299 120.400 0.041 0.000 2.248 2659 K HA 0.758 5.078 4.320 0.000 0.000 0.281 2659 K C 0.056 176.670 176.600 0.023 0.000 1.054 2659 K CA -0.085 56.220 56.287 0.030 0.000 0.903 2659 K CB 1.801 34.317 32.500 0.026 0.000 1.077 2659 K HN 1.056 nan 8.250 nan 0.000 0.474 2660 A N 3.087 125.918 122.820 0.018 0.000 2.302 2660 A HA 0.136 4.456 4.320 0.000 0.000 0.285 2660 A C -0.310 177.277 177.584 0.005 0.000 1.105 2660 A CA -0.440 51.604 52.037 0.012 0.000 0.816 2660 A CB 0.603 19.609 19.000 0.009 0.000 1.067 2660 A HN 0.762 nan 8.150 nan 0.000 0.489 2661 Q N 1.430 121.231 119.800 0.002 0.000 2.296 2661 Q HA 0.540 4.881 4.340 0.000 0.000 0.257 2661 Q C -1.258 174.735 176.000 -0.011 0.000 0.942 2661 Q CA -0.168 55.634 55.803 -0.003 0.000 0.939 2661 Q CB 0.488 29.225 28.738 -0.002 0.000 1.198 2661 Q HN 0.713 nan 8.270 nan 0.000 0.429 2662 L N 2.920 124.133 121.223 -0.017 0.000 2.352 2662 L HA 0.445 4.785 4.340 0.000 0.000 0.269 2662 L C -0.295 176.552 176.870 -0.038 0.000 1.034 2662 L CA -1.061 53.761 54.840 -0.030 0.000 0.806 2662 L CB 1.484 43.523 42.059 -0.034 0.000 1.244 2662 L HN 0.768 nan 8.230 nan 0.000 0.447 2663 D N 0.018 120.384 120.400 -0.057 0.000 2.268 2663 D HA 0.310 4.950 4.640 0.000 0.000 0.249 2663 D C -2.300 173.950 176.300 -0.084 0.000 1.008 2663 D CA -2.281 51.682 54.000 -0.062 0.000 0.939 2663 D CB 0.969 41.728 40.800 -0.069 0.000 1.170 2663 D HN 0.066 nan 8.370 nan 0.000 0.468 2664 P HA -0.119 nan 4.420 nan 0.000 0.217 2664 P C -1.318 175.910 177.300 -0.119 0.000 1.151 2664 P CA 1.886 64.946 63.100 -0.066 0.000 0.849 2664 P CB -0.755 30.926 31.700 -0.031 0.000 0.787 2665 P HA -0.130 nan 4.420 nan 0.000 0.216 2665 P C 1.720 178.748 177.300 -0.454 0.000 1.153 2665 P CA 1.346 64.169 63.100 -0.462 0.000 0.848 2665 P CB -0.277 30.917 31.700 -0.844 0.000 0.787 2666 L N -0.654 120.369 121.223 -0.334 0.000 1.961 2666 L HA -0.121 4.219 4.340 0.000 0.000 0.209 2666 L C 2.941 179.731 176.870 -0.132 0.000 1.075 2666 L CA 1.069 55.777 54.840 -0.220 0.000 0.749 2666 L CB -1.184 40.784 42.059 -0.151 0.000 0.890 2666 L HN -0.128 nan 8.230 nan 0.000 0.433 2667 L N -0.150 121.014 121.223 -0.098 0.000 2.054 2667 L HA -0.366 3.974 4.340 0.000 0.000 0.220 2667 L C 2.671 179.510 176.870 -0.053 0.000 1.081 2667 L CA 1.831 56.635 54.840 -0.060 0.000 0.780 2667 L CB -0.374 41.656 42.059 -0.048 0.000 0.893 2667 L HN 0.368 nan 8.230 nan 0.000 0.438 2668 A N -0.403 122.379 122.820 -0.064 0.000 1.948 2668 A HA -0.237 4.083 4.320 0.000 0.000 0.220 2668 A C 2.096 179.661 177.584 -0.031 0.000 1.177 2668 A CA 2.053 54.065 52.037 -0.041 0.000 0.636 2668 A CB -0.811 18.166 19.000 -0.037 0.000 0.815 2668 A HN 0.572 nan 8.150 nan 0.000 0.449 2669 L N -0.853 120.341 121.223 -0.047 0.000 2.141 2669 L HA -0.133 4.207 4.340 0.000 0.000 0.209 2669 L C 2.458 179.321 176.870 -0.012 0.000 1.094 2669 L CA 0.802 55.628 54.840 -0.024 0.000 0.763 2669 L CB -0.661 41.374 42.059 -0.039 0.000 0.908 2669 L HN 0.231 nan 8.230 nan 0.000 0.437 2670 V N -0.197 119.706 119.914 -0.018 0.000 2.237 2670 V HA -0.280 3.840 4.120 0.000 0.000 0.245 2670 V C 2.583 178.676 176.094 -0.002 0.000 1.046 2670 V CA 1.698 63.995 62.300 -0.006 0.000 1.007 2670 V CB -0.466 31.352 31.823 -0.008 0.000 0.638 2670 V HN 0.291 nan 8.190 nan 0.000 0.445 2671 K N 0.935 121.331 120.400 -0.007 0.000 2.001 2671 K HA -0.195 4.125 4.320 0.000 0.000 0.223 2671 K C 2.323 178.922 176.600 -0.001 0.000 1.055 2671 K CA 2.176 58.460 56.287 -0.005 0.000 0.965 2671 K CB -1.178 31.317 32.500 -0.009 0.000 0.730 2671 K HN 0.412 nan 8.250 nan 0.000 0.449 2672 S N -0.875 114.825 115.700 -0.001 0.000 2.444 2672 S HA -0.139 4.331 4.470 0.000 0.000 0.244 2672 S C 1.281 175.886 174.600 0.009 0.000 1.025 2672 S CA 1.348 59.551 58.200 0.004 0.000 0.995 2672 S CB -0.617 62.588 63.200 0.009 0.000 0.781 2672 S HN 0.634 nan 8.310 nan 0.000 0.496 2673 G N 0.482 109.288 108.800 0.010 0.000 2.132 2673 G HA2 -0.241 3.720 3.960 0.000 0.000 0.228 2673 G HA3 -0.241 3.720 3.960 0.000 0.000 0.228 2673 G C 0.826 175.738 174.900 0.020 0.000 1.000 2673 G CA 0.275 45.384 45.100 0.016 0.000 0.693 2673 G HN 0.310 nan 8.290 nan 0.000 0.515 2674 R N -0.574 119.937 120.500 0.018 0.000 2.062 2674 R HA 0.210 4.550 4.340 0.000 0.000 0.226 2674 R C 1.453 177.769 176.300 0.026 0.000 1.125 2674 R CA 0.513 56.627 56.100 0.024 0.000 0.966 2674 R CB -0.270 30.044 30.300 0.024 0.000 0.861 2674 R HN 0.464 nan 8.270 nan 0.000 0.433 2675 L N 2.587 123.822 121.223 0.020 0.000 2.314 2675 L HA 0.162 4.502 4.340 0.000 0.000 0.275 2675 L C 0.115 177.006 176.870 0.035 0.000 1.068 2675 L CA -0.117 54.738 54.840 0.026 0.000 0.894 2675 L CB 1.223 43.290 42.059 0.014 0.000 1.275 2675 L HN 0.078 nan 8.230 nan 0.000 0.432 2676 T N 2.133 116.715 114.554 0.046 0.000 2.902 2676 T HA 0.385 4.735 4.350 0.000 0.000 0.280 2676 T C 0.195 174.944 174.700 0.081 0.000 0.992 2676 T CA -0.423 61.711 62.100 0.058 0.000 1.015 2676 T CB 1.339 70.242 68.868 0.059 0.000 1.044 2676 T HN 0.142 nan 8.240 nan 0.000 0.520 2677 V N 2.794 122.768 119.914 0.100 0.000 2.715 2677 V HA 0.490 4.610 4.120 0.000 0.000 0.299 2677 V C 1.774 177.998 176.094 0.216 0.000 1.054 2677 V CA 1.109 63.501 62.300 0.152 0.000 1.077 2677 V CB 0.541 32.449 31.823 0.142 0.000 0.972 2677 V HN 1.310 nan 8.190 nan 0.000 0.484 2678 G N 2.989 111.966 108.800 0.297 0.000 2.213 2678 G HA2 -0.195 3.765 3.960 0.000 0.000 0.236 2678 G HA3 -0.195 3.765 3.960 0.000 0.000 0.236 2678 G C 0.178 175.145 174.900 0.111 0.000 0.991 2678 G CA 0.078 45.330 45.100 0.254 0.000 0.629 2678 G HN 0.648 nan 8.290 nan 0.000 0.517 2679 Q N 0.576 120.443 119.800 0.112 0.000 2.354 2679 Q HA 0.542 4.882 4.340 0.000 0.000 0.244 2679 Q C -0.009 176.030 176.000 0.066 0.000 0.969 2679 Q CA 0.139 55.989 55.803 0.080 0.000 0.885 2679 Q CB 0.819 29.600 28.738 0.071 0.000 1.241 2679 Q HN 0.394 nan 8.270 nan 0.000 0.461 2680 K N 1.562 121.995 120.400 0.054 0.000 2.164 2680 K HA 0.545 4.865 4.320 0.000 0.000 0.258 2680 K C -0.675 175.942 176.600 0.028 0.000 0.951 2680 K CA -0.672 55.637 56.287 0.037 0.000 0.844 2680 K CB 1.240 33.758 32.500 0.030 0.000 1.099 2680 K HN 0.354 nan 8.250 nan 0.000 0.435 2681 I N 2.940 123.523 120.570 0.021 0.000 2.785 2681 I HA 0.454 4.624 4.170 0.000 0.000 0.302 2681 I C -0.133 175.991 176.117 0.010 0.000 1.069 2681 I CA -0.866 60.443 61.300 0.015 0.000 1.045 2681 I CB 1.698 39.708 38.000 0.017 0.000 1.236 2681 I HN 0.547 nan 8.210 nan 0.000 0.429 2682 I N 3.197 123.769 120.570 0.004 0.000 2.530 2682 I HA 0.502 4.672 4.170 0.000 0.000 0.297 2682 I C -0.493 175.635 176.117 0.018 0.000 1.011 2682 I CA -0.442 60.860 61.300 0.004 0.000 1.107 2682 I CB 2.343 40.329 38.000 -0.024 0.000 1.285 2682 I HN 0.637 nan 8.210 nan 0.000 0.436 2683 T N 0.853 115.411 114.554 0.007 0.000 3.293 2683 T HA 0.315 4.665 4.350 0.000 0.000 0.320 2683 T C -0.159 174.502 174.700 -0.064 0.000 0.995 2683 T CA -0.721 61.366 62.100 -0.021 0.000 1.041 2683 T CB 1.905 70.770 68.868 -0.004 0.000 1.058 2683 T HN 0.564 nan 8.240 nan 0.000 0.453 2684 Q N 2.146 121.861 119.800 -0.141 0.000 2.250 2684 Q HA 0.218 4.558 4.340 0.000 0.000 0.200 2684 Q C 2.319 178.249 176.000 -0.116 0.000 0.941 2684 Q CA 1.366 57.052 55.803 -0.195 0.000 0.872 2684 Q CB -0.267 28.263 28.738 -0.347 0.000 0.965 2684 Q HN 0.959 nan 8.270 nan 0.000 0.480 2685 G N 1.544 110.291 108.800 -0.087 0.000 2.739 2685 G HA2 -0.168 3.792 3.960 0.000 0.000 0.216 2685 G HA3 -0.168 3.792 3.960 0.000 0.000 0.216 2685 G C 0.250 175.133 174.900 -0.029 0.000 1.298 2685 G CA 0.710 45.778 45.100 -0.052 0.000 0.804 2685 G HN 0.680 nan 8.290 nan 0.000 0.623 2686 A N -0.784 122.028 122.820 -0.014 0.000 1.389 2686 A HA -0.017 4.303 4.320 0.000 0.000 0.181 2686 A C -0.055 177.533 177.584 0.008 0.000 1.171 2686 A CA 1.546 53.587 52.037 0.007 0.000 0.573 2686 A CB -1.164 17.852 19.000 0.027 0.000 1.152 2686 A HN 0.643 nan 8.150 nan 0.000 0.150 2687 E N 0.662 120.867 120.200 0.010 0.000 2.272 2687 E HA 0.533 4.883 4.350 0.000 0.000 0.269 2687 E C -1.005 175.603 176.600 0.013 0.000 0.877 2687 E CA -1.071 55.334 56.400 0.009 0.000 0.755 2687 E CB 1.777 31.479 29.700 0.003 0.000 1.192 2687 E HN 0.588 nan 8.360 nan 0.000 0.422 2688 L N 3.909 125.141 121.223 0.015 0.000 2.397 2688 L HA 0.221 4.561 4.340 0.000 0.000 0.263 2688 L C -0.939 175.938 176.870 0.011 0.000 1.136 2688 L CA -0.334 54.516 54.840 0.016 0.000 1.019 2688 L CB 0.428 42.498 42.059 0.019 0.000 1.352 2688 L HN 0.304 nan 8.230 nan 0.000 0.420 2689 V N 3.308 123.228 119.914 0.010 0.000 3.003 2689 V HA 0.771 4.891 4.120 0.000 0.000 0.305 2689 V C 1.191 177.290 176.094 0.009 0.000 1.078 2689 V CA 0.559 62.863 62.300 0.007 0.000 1.083 2689 V CB 0.706 32.532 31.823 0.005 0.000 1.039 2689 V HN 0.901 nan 8.190 nan 0.000 0.481 2690 G N 3.026 111.830 108.800 0.007 0.000 3.355 2690 G HA2 -0.168 3.792 3.960 0.000 0.000 0.247 2690 G HA3 -0.168 3.792 3.960 0.000 0.000 0.247 2690 G C 0.076 174.981 174.900 0.008 0.000 1.818 2690 G CA 0.125 45.230 45.100 0.008 0.000 1.309 2690 G HN 1.712 nan 8.290 nan 0.000 0.546 2691 S N 2.103 117.809 115.700 0.010 0.000 2.532 2691 S HA 0.822 5.292 4.470 0.000 0.000 0.299 2691 S C -1.349 173.256 174.600 0.009 0.000 1.105 2691 S CA 0.027 58.232 58.200 0.009 0.000 1.018 2691 S CB 3.532 66.738 63.200 0.011 0.000 1.021 2691 S HN 0.761 nan 8.310 nan 0.000 0.483 2692 P HA 0.423 nan 4.420 nan 0.000 0.285 2692 P C -0.325 176.979 177.300 0.006 0.000 1.319 2692 P CA 0.583 63.686 63.100 0.006 0.000 0.786 2692 P CB -0.059 31.643 31.700 0.004 0.000 1.899 2693 D N -0.581 119.821 120.400 0.005 0.000 3.624 2693 D HA -0.228 4.412 4.640 0.000 0.000 0.198 2693 D C 0.430 176.733 176.300 0.004 0.000 1.553 2693 D CA 2.900 56.903 54.000 0.005 0.000 2.254 2693 D CB -1.963 38.840 40.800 0.006 0.000 1.308 2693 D HN 0.830 nan 8.370 nan 0.000 0.404 2694 A N -1.228 121.595 122.820 0.004 0.000 2.495 2694 A HA 0.200 4.520 4.320 0.000 0.000 0.547 2694 A C 0.877 178.462 177.584 0.002 0.000 0.684 2694 A CA 0.607 52.646 52.037 0.002 0.000 0.450 2694 A CB -1.797 17.203 19.000 0.000 0.000 3.088 2694 A HN 1.214 nan 8.150 nan 0.000 0.456 2695 C N 0.908 120.209 119.300 0.002 0.000 2.033 2695 C HA 1.039 5.499 4.460 0.000 0.000 0.096 2695 C C 1.000 175.988 174.990 -0.003 0.000 2.772 2695 C CA 0.131 59.152 59.018 0.005 0.000 1.919 2695 C CB 0.598 28.344 27.740 0.011 0.000 2.721 2695 C HN 2.736 nan 8.230 nan 0.000 0.300 2696 A N 0.411 123.230 122.820 -0.001 0.000 2.480 2696 A HA 0.644 4.964 4.320 0.000 0.000 0.289 2696 A C -1.547 176.031 177.584 -0.009 0.000 1.044 2696 A CA -0.557 51.471 52.037 -0.015 0.000 0.761 2696 A CB 0.354 19.365 19.000 0.019 0.000 1.289 2696 A HN 0.646 nan 8.150 nan 0.000 0.401 2697 P HA -0.310 nan 4.420 nan 0.000 0.233 2697 P C 1.240 178.621 177.300 0.136 0.000 1.141 2697 P CA 2.045 65.118 63.100 -0.046 0.000 0.951 2697 P CB 0.029 31.440 31.700 -0.483 0.000 0.778 2698 L N -0.719 120.611 121.223 0.180 0.000 2.162 2698 L HA 0.018 4.358 4.340 0.000 0.000 0.205 2698 L C 2.161 179.097 176.870 0.110 0.000 1.086 2698 L CA 1.318 56.267 54.840 0.181 0.000 0.778 2698 L CB -0.989 41.198 42.059 0.213 0.000 0.928 2698 L HN -0.102 nan 8.230 nan 0.000 0.446 2699 E N 1.066 121.319 120.200 0.088 0.000 2.296 2699 E HA 0.257 4.607 4.350 0.000 0.000 0.196 2699 E C 0.266 176.895 176.600 0.048 0.000 1.143 2699 E CA -0.337 56.100 56.400 0.062 0.000 1.145 2699 E CB 0.157 29.890 29.700 0.054 0.000 1.215 2699 E HN 0.357 nan 8.360 nan 0.000 0.447 2700 A N 2.444 125.296 122.820 0.053 0.000 2.450 2700 A HA 0.263 4.583 4.320 0.000 0.000 0.255 2700 A C -2.150 175.456 177.584 0.037 0.000 1.096 2700 A CA -1.237 50.825 52.037 0.042 0.000 0.778 2700 A CB -0.046 18.985 19.000 0.050 0.000 1.031 2700 A HN 0.004 nan 8.150 nan 0.000 0.494 2701 P HA 0.025 nan 4.420 nan 0.000 0.264 2701 P C 0.358 177.673 177.300 0.024 0.000 1.193 2701 P CA -0.015 63.099 63.100 0.024 0.000 0.763 2701 P CB 0.683 32.395 31.700 0.019 0.000 0.810 2702 D N 0.662 121.076 120.400 0.023 0.000 2.149 2702 D HA -0.124 4.516 4.640 0.000 0.000 0.198 2702 D C 0.051 176.362 176.300 0.018 0.000 0.990 2702 D CA 1.136 55.149 54.000 0.021 0.000 0.839 2702 D CB -0.617 40.194 40.800 0.018 0.000 0.948 2702 D HN 0.187 nan 8.370 nan 0.000 0.460 2703 S N 0.521 116.231 115.700 0.016 0.000 4.175 2703 S HA 0.359 4.829 4.470 0.000 0.000 0.193 2703 S C 0.197 174.806 174.600 0.014 0.000 1.373 2703 S CA -0.425 57.783 58.200 0.013 0.000 0.908 2703 S CB -0.761 62.446 63.200 0.011 0.000 1.547 2703 S HN 0.357 nan 8.310 nan 0.000 0.440 2704 L N 1.769 123.002 121.223 0.016 0.000 2.676 2704 L HA 0.560 4.900 4.340 0.000 0.000 0.262 2704 L C -1.639 175.242 176.870 0.019 0.000 0.932 2704 L CA -0.539 54.312 54.840 0.017 0.000 0.932 2704 L CB 1.050 43.121 42.059 0.020 0.000 1.355 2704 L HN 0.132 nan 8.230 nan 0.000 0.421 2705 R N 4.455 124.965 120.500 0.016 0.000 2.888 2705 R HA 0.572 4.913 4.340 0.000 0.000 0.266 2705 R C -1.363 174.947 176.300 0.016 0.000 1.020 2705 R CA -0.809 55.300 56.100 0.016 0.000 0.963 2705 R CB 2.136 32.443 30.300 0.011 0.000 1.197 2705 R HN 0.627 nan 8.270 nan 0.000 0.481 2706 L N 2.489 123.722 121.223 0.017 0.000 2.371 2706 L HA 0.318 4.658 4.340 0.000 0.000 0.262 2706 L C -0.070 176.807 176.870 0.012 0.000 1.054 2706 L CA -0.413 54.438 54.840 0.018 0.000 0.924 2706 L CB 0.400 42.473 42.059 0.023 0.000 1.295 2706 L HN 0.554 nan 8.230 nan 0.000 0.441 2707 K N 4.160 124.564 120.400 0.007 0.000 2.491 2707 K HA 0.094 4.414 4.320 0.000 0.000 0.279 2707 K C -0.740 175.858 176.600 -0.002 0.000 1.026 2707 K CA 0.132 56.419 56.287 0.000 0.000 1.070 2707 K CB 0.569 33.068 32.500 -0.001 0.000 0.887 2707 K HN 0.467 nan 8.250 nan 0.000 0.481 2708 I N 2.742 123.306 120.570 -0.010 0.000 2.509 2708 I HA 0.176 4.346 4.170 0.000 0.000 0.293 2708 I C -0.420 175.680 176.117 -0.028 0.000 1.020 2708 I CA -0.542 60.749 61.300 -0.015 0.000 1.088 2708 I CB 1.927 39.919 38.000 -0.014 0.000 1.267 2708 I HN 0.524 nan 8.210 nan 0.000 0.430 2709 S N 3.908 119.590 115.700 -0.031 0.000 2.552 2709 S HA 0.424 4.894 4.470 0.000 0.000 0.314 2709 S C 0.968 175.540 174.600 -0.048 0.000 1.099 2709 S CA -0.505 57.672 58.200 -0.039 0.000 1.070 2709 S CB 1.808 64.993 63.200 -0.026 0.000 0.998 2709 S HN 0.742 nan 8.310 nan 0.000 0.474 2710 A N 2.786 125.553 122.820 -0.088 0.000 2.255 2710 A HA -0.135 4.185 4.320 0.000 0.000 0.218 2710 A C 1.284 178.856 177.584 -0.020 0.000 1.175 2710 A CA 1.415 53.377 52.037 -0.125 0.000 0.682 2710 A CB -0.296 18.500 19.000 -0.339 0.000 0.784 2710 A HN 0.665 nan 8.150 nan 0.000 0.482 2711 N N -1.344 117.366 118.700 0.017 0.000 2.200 2711 N HA 0.163 4.903 4.740 0.000 0.000 0.224 2711 N C 0.380 175.901 175.510 0.019 0.000 1.179 2711 N CA 0.560 53.648 53.050 0.063 0.000 0.877 2711 N CB 0.848 39.384 38.487 0.082 0.000 1.072 2711 N HN 0.289 nan 8.380 nan 0.000 0.519 2712 S N -1.559 114.137 115.700 -0.007 0.000 2.687 2712 S HA 0.093 4.564 4.470 0.000 0.000 0.247 2712 S C 0.621 175.205 174.600 -0.025 0.000 1.050 2712 S CA -0.287 57.888 58.200 -0.041 0.000 1.063 2712 S CB 1.512 64.675 63.200 -0.062 0.000 1.039 2712 S HN 0.252 nan 8.310 nan 0.000 0.580 2713 T N 1.321 115.874 114.554 -0.003 0.000 2.932 2713 T HA 0.815 5.165 4.350 0.000 0.000 0.289 2713 T C -1.100 173.616 174.700 0.027 0.000 1.039 2713 T CA -0.335 61.769 62.100 0.006 0.000 1.024 2713 T CB 1.509 70.371 68.868 -0.009 0.000 1.090 2713 T HN 0.094 nan 8.240 nan 0.000 0.496 2714 R N 1.820 122.336 120.500 0.027 0.000 2.728 2714 R HA 0.499 4.840 4.340 0.000 0.000 0.274 2714 R C -2.934 173.374 176.300 0.013 0.000 1.032 2714 R CA -1.448 54.669 56.100 0.028 0.000 0.866 2714 R CB 1.577 31.899 30.300 0.037 0.000 1.263 2714 R HN 0.473 nan 8.270 nan 0.000 0.475 2715 P HA 0.249 nan 4.420 nan 0.000 0.276 2715 P C -1.044 176.251 177.300 -0.007 0.000 1.235 2715 P CA -0.157 62.952 63.100 0.014 0.000 0.772 2715 P CB 1.280 32.997 31.700 0.029 0.000 0.871 2716 A N 4.546 127.359 122.820 -0.012 0.000 2.242 2716 A HA 0.517 4.838 4.320 0.000 0.000 0.304 2716 A C 0.279 177.842 177.584 -0.034 0.000 1.100 2716 A CA -0.670 51.337 52.037 -0.049 0.000 0.860 2716 A CB 0.290 19.258 19.000 -0.054 0.000 1.168 2716 A HN 0.393 nan 8.150 nan 0.000 0.503 2717 R N 1.326 121.757 120.500 -0.115 0.000 2.537 2717 R HA 0.057 4.397 4.340 0.000 0.000 0.280 2717 R C 1.477 177.721 176.300 -0.094 0.000 1.058 2717 R CA 0.374 56.395 56.100 -0.133 0.000 1.057 2717 R CB 0.214 30.256 30.300 -0.429 0.000 0.973 2717 R HN 0.903 nan 8.270 nan 0.000 0.438 2718 W N 5.371 126.726 121.300 0.093 0.000 2.275 2718 W HA -0.368 4.292 4.660 0.000 0.000 0.321 2718 W C 0.971 177.582 176.519 0.155 0.000 1.269 2718 W CA 2.092 59.519 57.345 0.135 0.000 1.274 2718 W CB -0.792 28.784 29.460 0.194 0.000 1.141 2718 W HN 0.753 nan 8.180 nan 0.000 0.493 2719 H N 1.444 119.942 119.070 -0.953 0.000 2.320 2719 H HA -0.021 4.535 4.556 0.000 0.000 0.312 2719 H C 2.294 177.397 175.328 -0.375 0.000 1.051 2719 H CA 2.177 57.649 56.048 -0.959 0.000 1.339 2719 H CB -1.396 27.448 29.762 -1.529 0.000 1.437 2719 H HN 0.224 nan 8.280 nan 0.000 0.538 2720 S N 1.532 116.700 115.700 -0.885 0.000 4.137 2720 S HA -0.353 4.117 4.470 0.000 0.000 0.550 2720 S C 0.355 174.859 174.600 -0.160 0.000 1.887 2720 S CA 2.217 60.172 58.200 -0.410 0.000 4.230 2720 S CB -1.449 61.613 63.200 -0.229 0.000 0.378 2720 S HN 1.178 nan 8.310 nan 0.000 0.490 2721 K N -0.385 119.977 120.400 -0.063 0.000 2.768 2721 K HA 0.394 4.714 4.320 0.000 0.000 0.288 2721 K C -1.310 175.308 176.600 0.030 0.000 1.128 2721 K CA -0.304 55.975 56.287 -0.013 0.000 0.987 2721 K CB 0.108 32.601 32.500 -0.012 0.000 1.377 2721 K HN 0.681 nan 8.250 nan 0.000 0.409 2722 L N 3.444 124.684 121.223 0.029 0.000 2.452 2722 L HA 0.568 4.909 4.340 0.000 0.000 0.267 2722 L C 1.138 178.026 176.870 0.029 0.000 1.188 2722 L CA 1.168 56.028 54.840 0.032 0.000 0.821 2722 L CB 0.552 42.626 42.059 0.025 0.000 1.102 2722 L HN 1.089 nan 8.230 nan 0.000 0.470 2723 G N 1.754 110.559 108.800 0.008 0.000 2.378 2723 G HA2 -0.167 3.793 3.960 0.000 0.000 0.198 2723 G HA3 -0.167 3.793 3.960 0.000 0.000 0.198 2723 G C -0.684 174.253 174.900 0.061 0.000 1.223 2723 G CA -0.828 44.231 45.100 -0.068 0.000 1.088 2723 G HN 0.387 nan 8.290 nan 0.000 0.530 2724 F N 0.097 120.074 119.950 0.045 0.000 2.450 2724 F HA 0.577 5.104 4.527 0.000 0.000 0.339 2724 F C 0.991 176.868 175.800 0.128 0.000 1.146 2724 F CA -0.464 57.581 58.000 0.074 0.000 1.267 2724 F CB 0.752 39.775 39.000 0.039 0.000 1.178 2724 F HN 0.464 nan 8.300 nan 0.000 0.585 2725 F N 1.453 121.522 119.950 0.199 0.000 2.355 2725 F HA 0.235 4.763 4.527 0.000 0.000 0.340 2725 F C 1.481 177.358 175.800 0.129 0.000 1.067 2725 F CA -0.507 57.516 58.000 0.038 0.000 1.116 2725 F CB 0.378 39.331 39.000 -0.077 0.000 1.582 2725 F HN 0.380 nan 8.300 nan 0.000 0.512 2726 H N -0.254 118.815 119.070 -0.001 0.000 2.275 2726 H HA 0.061 4.617 4.556 0.000 0.000 0.315 2726 H C -0.193 175.223 175.328 0.147 0.000 1.058 2726 H CA 0.880 56.940 56.048 0.019 0.000 1.387 2726 H CB -1.362 28.350 29.762 -0.084 0.000 1.435 2726 H HN 0.418 nan 8.280 nan 0.000 0.530 2727 D N 2.251 122.867 120.400 0.360 0.000 2.255 2727 D HA 0.055 4.695 4.640 0.000 0.000 0.249 2727 D C -1.876 174.477 176.300 0.087 0.000 1.078 2727 D CA -1.718 52.397 54.000 0.191 0.000 0.896 2727 D CB 2.401 43.316 40.800 0.192 0.000 1.194 2727 D HN 0.148 nan 8.370 nan 0.000 0.429 2728 P HA 0.064 nan 4.420 nan 0.000 0.262 2728 P C 0.286 177.473 177.300 -0.188 0.000 1.304 2728 P CA -0.234 62.789 63.100 -0.129 0.000 0.859 2728 P CB 0.295 31.923 31.700 -0.120 0.000 1.310 2729 R N 2.534 122.944 120.500 -0.151 0.000 2.288 2729 R HA 0.271 4.611 4.340 0.000 0.000 0.330 2729 R C -2.455 173.669 176.300 -0.293 0.000 1.069 2729 R CA -2.481 53.499 56.100 -0.200 0.000 0.941 2729 R CB -1.083 29.165 30.300 -0.086 0.000 0.998 2729 R HN -0.002 nan 8.270 nan 0.000 0.452 2730 P HA -0.097 nan 4.420 nan 0.000 0.261 2730 P C -0.906 176.286 177.300 -0.180 0.000 1.173 2730 P CA 0.482 63.335 63.100 -0.412 0.000 0.760 2730 P CB 0.154 31.663 31.700 -0.318 0.000 0.783 2731 F N 4.841 124.758 119.950 -0.057 0.000 2.427 2731 F HA 0.272 4.799 4.527 0.000 0.000 0.352 2731 F C -1.497 174.310 175.800 0.012 0.000 1.100 2731 F CA -2.965 55.016 58.000 -0.031 0.000 1.191 2731 F CB -0.409 38.542 39.000 -0.082 0.000 1.128 2731 F HN 0.208 nan 8.300 nan 0.000 0.533 2732 P HA 0.300 nan 4.420 nan 0.000 0.287 2732 P C -1.186 176.181 177.300 0.113 0.000 1.294 2732 P CA -0.196 62.992 63.100 0.147 0.000 0.776 2732 P CB 1.025 32.806 31.700 0.135 0.000 0.889 2733 L N 3.038 124.313 121.223 0.086 0.000 2.342 2733 L HA 0.733 5.073 4.340 0.000 0.000 0.271 2733 L C -2.346 174.553 176.870 0.048 0.000 1.008 2733 L CA -3.127 51.753 54.840 0.067 0.000 0.818 2733 L CB 1.411 43.514 42.059 0.072 0.000 1.296 2733 L HN 0.124 nan 8.230 nan 0.000 0.427 2734 P HA -0.125 nan 4.420 nan 0.000 0.261 2734 P C 0.420 177.731 177.300 0.019 0.000 1.165 2734 P CA -0.095 63.020 63.100 0.025 0.000 0.759 2734 P CB 1.114 32.823 31.700 0.014 0.000 0.772 2735 L N 4.127 125.359 121.223 0.016 0.000 2.217 2735 L HA -0.134 4.206 4.340 0.000 0.000 0.211 2735 L C 2.618 179.485 176.870 -0.005 0.000 1.107 2735 L CA 2.149 56.993 54.840 0.008 0.000 0.783 2735 L CB -1.305 40.759 42.059 0.008 0.000 0.919 2735 L HN 0.535 nan 8.230 nan 0.000 0.442 2736 S N -0.862 114.833 115.700 -0.007 0.000 2.372 2736 S HA -0.225 4.245 4.470 0.000 0.000 0.227 2736 S C 1.762 176.335 174.600 -0.045 0.000 1.044 2736 S CA 1.627 59.815 58.200 -0.020 0.000 1.050 2736 S CB -0.992 62.199 63.200 -0.016 0.000 0.901 2736 S HN 0.749 nan 8.310 nan 0.000 0.447 2737 S N 2.095 117.764 115.700 -0.051 0.000 2.071 2737 S HA 0.387 4.857 4.470 0.000 0.000 0.187 2737 S C 0.574 175.102 174.600 -0.120 0.000 1.376 2737 S CA 0.024 58.157 58.200 -0.112 0.000 1.398 2737 S CB -1.255 61.910 63.200 -0.059 0.000 0.641 2737 S HN 1.113 nan 8.310 nan 0.000 0.392 2738 L N -0.674 120.512 121.223 -0.062 0.000 0.595 2738 L HA -0.139 4.201 4.340 0.000 0.000 0.356 2738 L C -1.085 175.758 176.870 -0.044 0.000 1.004 2738 L CA -0.215 54.658 54.840 0.055 0.000 1.223 2738 L CB -1.088 40.997 42.059 0.043 0.000 0.049 2738 L HN 0.605 nan 8.230 nan 0.000 0.097 2739 F N 0.996 120.961 119.950 0.025 0.000 2.432 2739 F HA 0.380 4.907 4.527 0.000 0.000 0.329 2739 F C 1.625 177.445 175.800 0.033 0.000 1.076 2739 F CA 0.270 58.288 58.000 0.030 0.000 1.018 2739 F CB 1.687 40.699 39.000 0.019 0.000 1.201 2739 F HN 0.545 nan 8.300 nan 0.000 0.489 2740 S N 0.505 116.320 115.700 0.193 0.000 2.377 2740 S HA -0.223 4.248 4.470 0.000 0.000 0.224 2740 S C 0.937 175.616 174.600 0.132 0.000 1.042 2740 S CA 1.926 60.206 58.200 0.133 0.000 1.086 2740 S CB -0.360 62.915 63.200 0.124 0.000 0.995 2740 S HN 0.787 nan 8.310 nan 0.000 0.428 2741 D N 0.630 121.116 120.400 0.143 0.000 2.895 2741 D HA 0.233 4.874 4.640 0.000 0.000 0.258 2741 D C 0.457 176.810 176.300 0.089 0.000 1.311 2741 D CA -0.148 53.909 54.000 0.095 0.000 0.843 2741 D CB -0.310 40.531 40.800 0.067 0.000 1.055 2741 D HN 0.374 nan 8.370 nan 0.000 0.486 2742 G N 0.072 108.960 108.800 0.147 0.000 3.678 2742 G HA2 0.466 4.426 3.960 0.000 0.000 0.287 2742 G HA3 0.466 4.426 3.960 0.000 0.000 0.287 2742 G C 0.851 175.779 174.900 0.047 0.000 1.280 2742 G CA -0.036 45.120 45.100 0.092 0.000 1.118 2742 G HN 0.610 nan 8.290 nan 0.000 0.563 2743 G N 0.586 109.405 108.800 0.032 0.000 2.856 2743 G HA2 -0.093 3.867 3.960 0.000 0.000 0.674 2743 G HA3 -0.093 3.867 3.960 0.000 0.000 0.674 2743 G C -0.097 174.823 174.900 0.033 0.000 1.519 2743 G CA -0.218 44.893 45.100 0.018 0.000 0.940 2743 G HN 1.211 nan 8.290 nan 0.000 0.564 2744 N N -0.747 117.965 118.700 0.020 0.000 2.518 2744 N HA 0.514 5.255 4.740 0.000 0.000 0.283 2744 N C 0.260 175.771 175.510 0.002 0.000 1.119 2744 N CA -0.246 52.816 53.050 0.020 0.000 0.983 2744 N CB 1.659 40.159 38.487 0.022 0.000 1.139 2744 N HN 0.765 nan 8.380 nan 0.000 0.465 2745 V N 1.154 121.069 119.914 0.001 0.000 2.881 2745 V HA 0.372 4.493 4.120 0.000 0.000 0.303 2745 V C 1.524 177.569 176.094 -0.083 0.000 1.070 2745 V CA 0.379 62.666 62.300 -0.023 0.000 1.074 2745 V CB 1.065 32.886 31.823 -0.004 0.000 1.012 2745 V HN 0.988 nan 8.190 nan 0.000 0.482 2746 G N 1.061 109.778 108.800 -0.138 0.000 2.709 2746 G HA2 0.091 4.051 3.960 0.000 0.000 0.208 2746 G HA3 0.091 4.051 3.960 0.000 0.000 0.208 2746 G C 0.217 175.044 174.900 -0.122 0.000 1.129 2746 G CA 0.738 45.654 45.100 -0.308 0.000 0.793 2746 G HN 0.734 nan 8.290 nan 0.000 0.524 2747 C N 1.155 120.454 119.300 -0.001 0.000 2.752 2747 C HA 0.643 5.103 4.460 0.000 0.000 0.360 2747 C C -0.877 174.124 174.990 0.018 0.000 1.081 2747 C CA -0.842 58.234 59.018 0.097 0.000 1.272 2747 C CB 0.571 28.497 27.740 0.311 0.000 1.754 2747 C HN 0.495 nan 8.230 nan 0.000 0.483 2748 V N 2.719 122.596 119.914 -0.062 0.000 2.680 2748 V HA 0.655 4.775 4.120 0.000 0.000 0.309 2748 V C -0.444 175.618 176.094 -0.055 0.000 1.052 2748 V CA -0.147 62.131 62.300 -0.036 0.000 0.908 2748 V CB 1.975 33.777 31.823 -0.036 0.000 1.001 2748 V HN 0.802 nan 8.190 nan 0.000 0.431 2749 D N 2.813 123.218 120.400 0.009 0.000 2.930 2749 D HA 0.387 5.027 4.640 0.000 0.000 0.304 2749 D C 0.226 176.560 176.300 0.056 0.000 1.298 2749 D CA 0.001 54.016 54.000 0.027 0.000 0.949 2749 D CB 0.600 41.459 40.800 0.098 0.000 1.013 2749 D HN 0.509 nan 8.370 nan 0.000 0.510 2750 V N 0.941 120.866 119.914 0.020 0.000 3.546 2750 V HA 0.243 4.363 4.120 0.000 0.000 0.296 2750 V C 0.753 176.858 176.094 0.018 0.000 1.082 2750 V CA -0.666 61.654 62.300 0.033 0.000 1.086 2750 V CB 1.154 32.982 31.823 0.008 0.000 1.174 2750 V HN 0.291 nan 8.190 nan 0.000 0.464 2751 I N 0.625 121.212 120.570 0.027 0.000 2.796 2751 I HA 0.349 4.519 4.170 0.000 0.000 0.277 2751 I C -0.235 175.875 176.117 -0.012 0.000 1.331 2751 I CA -0.289 61.007 61.300 -0.008 0.000 0.983 2751 I CB 0.728 38.741 38.000 0.022 0.000 1.410 2751 I HN 0.361 nan 8.210 nan 0.000 0.561 2752 V N 7.768 127.686 119.914 0.007 0.000 3.122 2752 V HA -0.214 3.906 4.120 0.000 0.000 0.281 2752 V C 1.600 177.664 176.094 -0.050 0.000 1.107 2752 V CA 0.877 63.162 62.300 -0.024 0.000 1.241 2752 V CB -0.820 31.003 31.823 -0.001 0.000 0.770 2752 V HN 0.698 nan 8.190 nan 0.000 0.419 2753 Q N 4.402 124.223 119.800 0.035 0.000 1.896 2753 Q HA 0.070 4.410 4.340 0.000 0.000 0.205 2753 Q C 0.910 177.009 176.000 0.164 0.000 0.978 2753 Q CA 1.256 57.144 55.803 0.142 0.000 0.850 2753 Q CB 0.148 28.975 28.738 0.147 0.000 0.908 2753 Q HN 0.670 nan 8.270 nan 0.000 0.431 2754 R N -0.378 120.218 120.500 0.159 0.000 2.902 2754 R HA 0.648 4.988 4.340 0.000 0.000 0.258 2754 R C -0.659 175.735 176.300 0.157 0.000 1.071 2754 R CA -0.929 55.243 56.100 0.120 0.000 1.024 2754 R CB 1.211 31.519 30.300 0.012 0.000 1.184 2754 R HN -0.016 nan 8.270 nan 0.000 0.492 2755 V N 2.005 121.963 119.914 0.072 0.000 2.588 2755 V HA 0.421 4.541 4.120 0.000 0.000 0.304 2755 V C -1.215 174.962 176.094 0.140 0.000 1.042 2755 V CA -0.803 61.634 62.300 0.228 0.000 0.877 2755 V CB 1.577 33.566 31.823 0.276 0.000 0.996 2755 V HN 0.499 nan 8.190 nan 0.000 0.425 2756 Y N 4.608 124.912 120.300 0.006 0.000 2.496 2756 Y HA 0.554 5.104 4.550 0.000 0.000 0.331 2756 Y C -1.929 174.011 175.900 0.066 0.000 1.140 2756 Y CA -3.138 54.919 58.100 -0.071 0.000 1.166 2756 Y CB 0.834 39.016 38.460 -0.464 0.000 1.249 2756 Y HN 0.410 nan 8.280 nan 0.000 0.479 2757 P HA -0.036 nan 4.420 nan 0.000 0.263 2757 P C -0.268 177.132 177.300 0.167 0.000 1.195 2757 P CA 0.110 63.293 63.100 0.140 0.000 0.762 2757 P CB 0.816 32.608 31.700 0.154 0.000 0.799 2758 L N 3.584 124.849 121.223 0.071 0.000 2.525 2758 L HA -0.034 4.306 4.340 0.000 0.000 0.278 2758 L C 0.503 177.460 176.870 0.145 0.000 1.218 2758 L CA 0.441 55.271 54.840 -0.016 0.000 0.878 2758 L CB 0.213 42.131 42.059 -0.234 0.000 1.127 2758 L HN 0.400 nan 8.230 nan 0.000 0.492 2759 Q N 5.307 125.125 119.800 0.031 0.000 2.337 2759 Q HA 0.278 4.618 4.340 0.000 0.000 0.266 2759 Q C -1.264 174.792 176.000 0.093 0.000 1.023 2759 Q CA -0.263 55.695 55.803 0.259 0.000 0.829 2759 Q CB 2.159 31.092 28.738 0.326 0.000 1.306 2759 Q HN 0.660 nan 8.270 nan 0.000 0.449 2760 W N 2.630 123.956 121.300 0.043 0.000 2.295 2760 W HA 0.284 4.944 4.660 0.000 0.000 0.333 2760 W C -0.091 176.390 176.519 -0.062 0.000 0.990 2760 W CA -0.637 56.706 57.345 -0.003 0.000 1.453 2760 W CB 1.227 30.689 29.460 0.004 0.000 1.263 2760 W HN 0.244 nan 8.180 nan 0.000 0.380 2761 V N 5.053 124.940 119.914 -0.044 0.000 2.356 2761 V HA 0.083 4.203 4.120 0.000 0.000 0.258 2761 V C 0.244 176.280 176.094 -0.097 0.000 1.065 2761 V CA 0.029 62.132 62.300 -0.329 0.000 0.935 2761 V CB 0.754 32.059 31.823 -0.864 0.000 1.061 2761 V HN 0.466 nan 8.190 nan 0.000 0.484 2762 E N 6.051 126.236 120.200 -0.025 0.000 2.289 2762 E HA 0.235 4.585 4.350 0.000 0.000 0.278 2762 E C -0.350 176.310 176.600 0.100 0.000 1.032 2762 E CA -0.535 55.891 56.400 0.044 0.000 0.854 2762 E CB 0.649 30.365 29.700 0.027 0.000 1.046 2762 E HN 0.665 nan 8.360 nan 0.000 0.409 2763 K N 3.713 124.201 120.400 0.146 0.000 2.310 2763 K HA 0.135 4.455 4.320 0.000 0.000 0.290 2763 K C -0.028 176.572 176.600 0.001 0.000 1.077 2763 K CA -0.312 56.076 56.287 0.167 0.000 0.922 2763 K CB 0.812 33.423 32.500 0.186 0.000 1.057 2763 K HN 0.513 nan 8.250 nan 0.000 0.479 2764 T N 0.664 115.185 114.554 -0.055 0.000 2.649 2764 T HA -0.072 4.278 4.350 0.000 0.000 0.337 2764 T C 1.857 176.516 174.700 -0.068 0.000 1.070 2764 T CA -0.280 61.788 62.100 -0.052 0.000 1.052 2764 T CB 0.478 69.311 68.868 -0.060 0.000 0.994 2764 T HN 0.474 nan 8.240 nan 0.000 0.544 2765 V N -1.506 118.383 119.914 -0.041 0.000 2.436 2765 V HA 0.053 4.173 4.120 0.000 0.000 0.240 2765 V C 2.458 178.525 176.094 -0.045 0.000 1.040 2765 V CA 1.317 63.597 62.300 -0.034 0.000 1.052 2765 V CB -1.093 30.724 31.823 -0.009 0.000 0.707 2765 V HN 0.808 nan 8.190 nan 0.000 0.469 2766 S N 0.338 116.016 115.700 -0.038 0.000 2.555 2766 S HA 0.390 4.860 4.470 0.000 0.000 0.230 2766 S C 0.855 175.419 174.600 -0.061 0.000 0.978 2766 S CA 0.982 59.160 58.200 -0.037 0.000 0.934 2766 S CB -0.953 62.235 63.200 -0.020 0.000 0.766 2766 S HN 1.608 nan 8.310 nan 0.000 0.533 2767 G N -0.393 108.346 108.800 -0.102 0.000 2.361 2767 G HA2 0.352 4.312 3.960 0.000 0.000 0.331 2767 G HA3 0.352 4.312 3.960 0.000 0.000 0.331 2767 G C -0.178 174.579 174.900 -0.238 0.000 1.324 2767 G CA -0.293 44.710 45.100 -0.163 0.000 0.984 2767 G HN 1.556 nan 8.290 nan 0.000 0.586 2768 S N -1.917 113.564 115.700 -0.365 0.000 3.381 2768 S HA 0.055 4.525 4.470 0.000 0.000 0.636 2768 S C -0.068 174.134 174.600 -0.665 0.000 2.614 2768 S CA 1.645 59.602 58.200 -0.405 0.000 2.810 2768 S CB -1.031 62.138 63.200 -0.052 0.000 0.331 2768 S HN 2.347 nan 8.310 nan 0.000 1.788 2769 Y N -0.980 119.367 120.300 0.077 0.000 2.728 2769 Y HA 0.853 5.403 4.550 0.000 0.000 0.330 2769 Y C 0.146 176.067 175.900 0.035 0.000 1.234 2769 Y CA -1.279 56.824 58.100 0.006 0.000 1.070 2769 Y CB 1.013 39.418 38.460 -0.091 0.000 1.300 2769 Y HN 0.866 nan 8.280 nan 0.000 0.467 2770 I N 1.322 121.962 120.570 0.118 0.000 2.533 2770 I HA 0.364 4.534 4.170 0.000 0.000 0.290 2770 I C -1.655 174.461 176.117 -0.002 0.000 1.056 2770 I CA -0.558 60.823 61.300 0.135 0.000 1.057 2770 I CB 1.749 39.814 38.000 0.108 0.000 1.240 2770 I HN 0.306 nan 8.210 nan 0.000 0.423 2771 F N 5.139 125.183 119.950 0.158 0.000 2.415 2771 F HA 0.597 5.124 4.527 0.000 0.000 0.348 2771 F C 0.568 176.460 175.800 0.153 0.000 1.119 2771 F CA -0.419 57.674 58.000 0.155 0.000 1.069 2771 F CB 1.192 40.269 39.000 0.128 0.000 1.124 2771 F HN 0.277 nan 8.300 nan 0.000 0.472 2772 R N 1.821 122.506 120.500 0.308 0.000 2.960 2772 R HA 0.559 4.899 4.340 0.000 0.000 0.249 2772 R C -0.747 175.729 176.300 0.293 0.000 1.192 2772 R CA -1.310 54.934 56.100 0.240 0.000 1.035 2772 R CB 1.515 31.905 30.300 0.150 0.000 1.234 2772 R HN 0.550 nan 8.270 nan 0.000 0.493 2773 N N 0.395 119.206 118.700 0.185 0.000 2.592 2773 N HA 0.044 4.784 4.740 0.000 0.000 0.292 2773 N C 0.322 175.803 175.510 -0.049 0.000 1.260 2773 N CA -0.644 52.521 53.050 0.192 0.000 0.910 2773 N CB 0.880 39.450 38.487 0.139 0.000 1.257 2773 N HN 0.691 nan 8.380 nan 0.000 0.569 2774 E N -0.225 119.924 120.200 -0.086 0.000 2.219 2774 E HA -0.211 4.139 4.350 0.000 0.000 0.198 2774 E C 0.789 177.145 176.600 -0.408 0.000 0.998 2774 E CA 1.349 57.434 56.400 -0.524 0.000 0.818 2774 E CB 0.269 29.881 29.700 -0.148 0.000 0.741 2774 E HN 0.307 nan 8.360 nan 0.000 0.477 2775 R N 0.099 120.488 120.500 -0.184 0.000 2.087 2775 R HA 0.054 4.394 4.340 0.000 0.000 0.216 2775 R C 2.099 178.334 176.300 -0.109 0.000 1.114 2775 R CA 0.752 56.776 56.100 -0.127 0.000 1.002 2775 R CB -0.593 29.679 30.300 -0.047 0.000 0.903 2775 R HN 0.250 nan 8.270 nan 0.000 0.445 2776 E N 0.963 121.130 120.200 -0.054 0.000 2.273 2776 E HA -0.236 4.114 4.350 0.000 0.000 0.198 2776 E C 1.589 178.152 176.600 -0.063 0.000 1.002 2776 E CA 1.221 57.610 56.400 -0.018 0.000 0.828 2776 E CB 0.093 29.822 29.700 0.049 0.000 0.747 2776 E HN 0.225 nan 8.360 nan 0.000 0.491 2777 E N 1.071 121.166 120.200 -0.175 0.000 2.005 2777 E HA -0.174 4.176 4.350 0.000 0.000 0.191 2777 E C 1.831 178.329 176.600 -0.171 0.000 0.987 2777 E CA 1.058 57.316 56.400 -0.236 0.000 0.814 2777 E CB -0.023 29.326 29.700 -0.584 0.000 0.772 2777 E HN 0.064 nan 8.360 nan 0.000 0.453 2778 E N 0.976 121.055 120.200 -0.201 0.000 2.095 2778 E HA -0.323 4.027 4.350 0.000 0.000 0.212 2778 E C 2.000 178.566 176.600 -0.057 0.000 1.044 2778 E CA 1.622 57.950 56.400 -0.120 0.000 0.857 2778 E CB -0.422 29.210 29.700 -0.113 0.000 0.764 2778 E HN 0.246 nan 8.360 nan 0.000 0.462 2779 K N 0.495 120.868 120.400 -0.046 0.000 1.980 2779 K HA -0.249 4.071 4.320 0.000 0.000 0.223 2779 K C 1.973 178.579 176.600 0.010 0.000 1.052 2779 K CA 2.005 58.284 56.287 -0.013 0.000 0.974 2779 K CB -0.243 32.253 32.500 -0.007 0.000 0.734 2779 K HN -0.100 nan 8.250 nan 0.000 0.447 2780 E N -0.214 119.993 120.200 0.012 0.000 2.533 2780 E HA -0.069 4.281 4.350 0.000 0.000 0.201 2780 E C 0.817 177.452 176.600 0.057 0.000 1.097 2780 E CA 0.820 57.246 56.400 0.042 0.000 0.887 2780 E CB 0.065 29.784 29.700 0.032 0.000 0.855 2780 E HN 0.426 nan 8.360 nan 0.000 0.540 2781 A N -0.644 122.194 122.820 0.030 0.000 2.115 2781 A HA 0.187 4.507 4.320 0.000 0.000 0.211 2781 A C 1.772 179.425 177.584 0.114 0.000 1.169 2781 A CA 0.264 52.328 52.037 0.044 0.000 0.787 2781 A CB 0.123 19.104 19.000 -0.031 0.000 0.858 2781 A HN 0.334 nan 8.150 nan 0.000 0.474 2782 L N -1.614 119.658 121.223 0.081 0.000 2.445 2782 L HA 0.101 4.441 4.340 0.000 0.000 0.207 2782 L C 2.353 179.269 176.870 0.077 0.000 1.053 2782 L CA 0.640 55.522 54.840 0.070 0.000 0.841 2782 L CB -0.318 41.757 42.059 0.028 0.000 1.074 2782 L HN 0.343 nan 8.230 nan 0.000 0.479 2783 R N 1.225 121.771 120.500 0.076 0.000 2.226 2783 R HA -0.207 4.133 4.340 0.000 0.000 0.246 2783 R C 0.722 177.092 176.300 0.116 0.000 1.161 2783 R CA 1.114 57.258 56.100 0.073 0.000 0.997 2783 R CB -0.816 29.526 30.300 0.070 0.000 0.870 2783 R HN 0.183 nan 8.270 nan 0.000 0.465 2893 R N 2.027 122.395 120.500 -0.220 0.000 2.177 2893 R HA -0.014 4.326 4.340 0.000 0.000 0.221 2893 R C -0.060 176.161 176.300 -0.132 0.000 1.110 2893 R CA 2.179 58.089 56.100 -0.317 0.000 0.875 2893 R CB -1.110 28.993 30.300 -0.330 0.000 0.810 2893 R HN 0.622 nan 8.270 nan 0.000 0.437 2894 D N -1.353 119.008 120.400 -0.066 0.000 4.535 2894 D HA -0.135 4.505 4.640 0.000 0.000 0.236 2894 D C -1.386 174.924 176.300 0.015 0.000 1.142 2894 D CA 0.769 54.762 54.000 -0.012 0.000 1.102 2894 D CB -0.576 40.220 40.800 -0.007 0.000 0.703 2894 D HN 0.094 nan 8.370 nan 0.000 0.331 2895 V N 1.923 121.863 119.914 0.044 0.000 3.147 2895 V HA 0.839 4.959 4.120 0.000 0.000 0.299 2895 V C -1.155 174.993 176.094 0.091 0.000 1.302 2895 V CA 0.165 62.512 62.300 0.079 0.000 1.015 2895 V CB 2.517 34.402 31.823 0.103 0.000 1.086 2895 V HN 0.573 nan 8.190 nan 0.000 0.437 2896 S N 2.544 118.307 115.700 0.104 0.000 2.557 2896 S HA 0.640 5.110 4.470 0.000 0.000 0.291 2896 S C -0.301 174.296 174.600 -0.005 0.000 1.116 2896 S CA -0.182 58.084 58.200 0.110 0.000 0.992 2896 S CB 1.807 65.154 63.200 0.247 0.000 1.028 2896 S HN 1.245 nan 8.310 nan 0.000 0.484 2897 T N -0.147 114.270 114.554 -0.229 0.000 2.856 2897 T HA 0.543 4.893 4.350 0.000 0.000 0.306 2897 T C -0.189 174.277 174.700 -0.391 0.000 1.062 2897 T CA -0.497 61.269 62.100 -0.557 0.000 1.083 2897 T CB 0.231 68.611 68.868 -0.814 0.000 0.984 2897 T HN 0.373 nan 8.240 nan 0.000 0.542 2898 V N 2.029 121.655 119.914 -0.479 0.000 2.559 2898 V HA 0.303 4.423 4.120 0.000 0.000 0.289 2898 V C -1.290 174.638 176.094 -0.278 0.000 1.036 2898 V CA -1.039 60.901 62.300 -0.599 0.000 0.887 2898 V CB 1.288 32.564 31.823 -0.912 0.000 1.022 2898 V HN 1.024 nan 8.190 nan 0.000 0.442 2899 W N 6.684 127.737 121.300 -0.411 0.000 2.289 2899 W HA 0.551 5.211 4.660 0.000 0.000 0.342 2899 W C 0.083 176.430 176.519 -0.286 0.000 0.958 2899 W CA -1.435 55.732 57.345 -0.297 0.000 1.492 2899 W CB 0.580 29.890 29.460 -0.249 0.000 1.336 2899 W HN 0.485 nan 8.180 nan 0.000 0.371 2900 K N 5.514 125.770 120.400 -0.240 0.000 2.107 2900 K HA 0.661 4.981 4.320 0.000 0.000 0.251 2900 K C -0.588 175.675 176.600 -0.561 0.000 1.012 2900 K CA -0.691 55.318 56.287 -0.463 0.000 0.920 2900 K CB 1.087 33.296 32.500 -0.484 0.000 1.033 2900 K HN 0.512 nan 8.250 nan 0.000 0.478 2901 L N -1.437 119.448 121.223 -0.563 0.000 2.549 2901 L HA 0.501 4.842 4.340 0.000 0.000 0.259 2901 L C -0.868 175.816 176.870 -0.309 0.000 0.934 2901 L CA -1.167 53.445 54.840 -0.379 0.000 0.865 2901 L CB 1.713 43.494 42.059 -0.463 0.000 1.352 2901 L HN 0.493 nan 8.230 nan 0.000 0.410 2902 R N 2.419 122.838 120.500 -0.135 0.000 2.265 2902 R HA 0.737 5.077 4.340 0.000 0.000 0.314 2902 R C -0.733 175.555 176.300 -0.020 0.000 1.053 2902 R CA -0.393 55.663 56.100 -0.075 0.000 0.931 2902 R CB 1.260 31.604 30.300 0.074 0.000 1.024 2902 R HN 0.696 nan 8.270 nan 0.000 0.457 2903 V N 0.126 120.014 119.914 -0.043 0.000 3.040 2903 V HA 0.731 4.851 4.120 0.000 0.000 0.312 2903 V C -0.634 175.462 176.094 0.004 0.000 1.115 2903 V CA -0.764 61.523 62.300 -0.021 0.000 0.998 2903 V CB 1.994 33.786 31.823 -0.052 0.000 1.042 2903 V HN 0.747 nan 8.190 nan 0.000 0.433 2904 T N 1.101 115.670 114.554 0.026 0.000 2.909 2904 T HA 0.556 4.906 4.350 0.000 0.000 0.299 2904 T C -0.166 174.568 174.700 0.057 0.000 1.073 2904 T CA 0.179 62.301 62.100 0.038 0.000 0.999 2904 T CB 1.565 70.464 68.868 0.052 0.000 1.098 2904 T HN 1.706 nan 8.240 nan 0.000 0.477 2905 S N 3.685 119.417 115.700 0.053 0.000 2.546 2905 S HA 0.071 4.541 4.470 0.000 0.000 0.290 2905 S C 1.002 175.682 174.600 0.132 0.000 1.290 2905 S CA -0.426 57.820 58.200 0.077 0.000 1.069 2905 S CB -0.052 63.177 63.200 0.048 0.000 0.846 2905 S HN 0.827 nan 8.310 nan 0.000 0.495 2906 Y N 2.988 123.289 120.300 0.001 0.000 2.384 2906 Y HA -0.195 4.355 4.550 0.000 0.000 0.289 2906 Y C 2.158 178.061 175.900 0.005 0.000 1.152 2906 Y CA 1.581 59.682 58.100 0.002 0.000 1.258 2906 Y CB -0.038 38.420 38.460 -0.003 0.000 0.979 2906 Y HN 0.846 nan 8.280 nan 0.000 0.549 2907 K N 0.406 120.787 120.400 -0.031 0.000 1.992 2907 K HA -0.153 4.167 4.320 0.000 0.000 0.225 2907 K C 0.925 177.452 176.600 -0.122 0.000 1.020 2907 K CA 1.870 58.083 56.287 -0.125 0.000 1.042 2907 K CB 0.093 32.567 32.500 -0.044 0.000 0.772 2907 K HN 0.149 nan 8.250 nan 0.000 0.444 2908 K N -2.063 118.304 120.400 -0.055 0.000 2.367 2908 K HA 0.227 4.547 4.320 0.000 0.000 0.314 2908 K C 1.498 178.090 176.600 -0.013 0.000 0.977 2908 K CA -0.489 55.774 56.287 -0.040 0.000 0.829 2908 K CB 0.134 32.609 32.500 -0.043 0.000 3.516 2908 K HN 0.055 nan 8.250 nan 0.000 1.221 2909 R N 1.740 122.233 120.500 -0.012 0.000 2.310 2909 R HA -0.312 4.028 4.340 0.000 0.000 0.188 2909 R C -0.485 175.816 176.300 0.001 0.000 1.034 2909 R CA 2.463 58.559 56.100 -0.006 0.000 0.330 2909 R CB -1.278 29.019 30.300 -0.006 0.000 0.678 2909 R HN 0.834 nan 8.270 nan 0.000 0.243 2910 E N -1.039 119.164 120.200 0.005 0.000 7.503 2910 E HA -0.142 4.208 4.350 0.000 0.000 0.240 2910 E C -0.799 175.803 176.600 0.004 0.000 0.847 2910 E CA 0.748 57.156 56.400 0.013 0.000 1.600 2910 E CB -0.625 29.090 29.700 0.026 0.000 0.902 2910 E HN 0.500 nan 8.360 nan 0.000 0.263 2911 K N 2.322 122.723 120.400 0.001 0.000 2.373 2911 K HA 0.087 4.407 4.320 0.000 0.000 0.202 2911 K C -0.292 176.304 176.600 -0.007 0.000 1.025 2911 K CA 0.529 56.810 56.287 -0.009 0.000 1.115 2911 K CB 0.153 32.644 32.500 -0.015 0.000 0.858 2911 K HN 0.928 nan 8.250 nan 0.000 0.525 2912 S N -0.254 115.449 115.700 0.005 0.000 4.026 2912 S HA -0.229 4.241 4.470 0.000 0.000 0.305 2912 S C -0.087 174.508 174.600 -0.009 0.000 0.787 2912 S CA 0.271 58.476 58.200 0.008 0.000 1.314 2912 S CB -1.320 61.893 63.200 0.021 0.000 1.849 2912 S HN 0.356 nan 8.310 nan 0.000 0.444 2913 A N 3.176 125.985 122.820 -0.018 0.000 2.239 2913 A HA 0.874 5.194 4.320 0.000 0.000 0.303 2913 A C 0.103 177.648 177.584 -0.065 0.000 1.114 2913 A CA -0.727 51.290 52.037 -0.034 0.000 0.871 2913 A CB 0.722 19.704 19.000 -0.030 0.000 1.201 2913 A HN 1.747 nan 8.150 nan 0.000 0.506 2914 L N 0.977 122.151 121.223 -0.082 0.000 2.488 2914 L HA 0.372 4.712 4.340 0.000 0.000 0.250 2914 L C -0.574 176.206 176.870 -0.150 0.000 1.280 2914 L CA -0.518 54.235 54.840 -0.146 0.000 0.929 2914 L CB 0.674 42.656 42.059 -0.128 0.000 1.200 2914 L HN 0.693 nan 8.230 nan 0.000 0.495 2915 L N 2.065 123.188 121.223 -0.166 0.000 2.525 2915 L HA 0.341 4.681 4.340 0.000 0.000 0.278 2915 L C -0.186 176.553 176.870 -0.218 0.000 1.218 2915 L CA 0.864 55.609 54.840 -0.157 0.000 0.878 2915 L CB 0.647 42.605 42.059 -0.167 0.000 1.127 2915 L HN 0.584 nan 8.230 nan 0.000 0.492 2916 S N 6.537 122.154 115.700 -0.139 0.000 2.667 2916 S HA 0.551 5.021 4.470 0.000 0.000 0.304 2916 S C -0.164 174.359 174.600 -0.128 0.000 1.135 2916 S CA -0.412 57.677 58.200 -0.184 0.000 1.125 2916 S CB 0.239 63.391 63.200 -0.080 0.000 0.996 2916 S HN 0.573 nan 8.310 nan 0.000 0.474 2917 I N 2.847 123.285 120.570 -0.220 0.000 2.371 2917 I HA 0.303 4.473 4.170 0.000 0.000 0.290 2917 I C -0.512 175.550 176.117 -0.091 0.000 1.028 2917 I CA -0.321 60.939 61.300 -0.067 0.000 1.345 2917 I CB 0.696 38.636 38.000 -0.100 0.000 1.407 2917 I HN 0.550 nan 8.210 nan 0.000 0.501 2918 W N 4.928 126.225 121.300 -0.005 0.000 2.509 2918 W HA 0.476 5.136 4.660 0.000 0.000 0.351 2918 W C 0.828 177.336 176.519 -0.018 0.000 1.107 2918 W CA -0.526 56.806 57.345 -0.021 0.000 1.264 2918 W CB 0.557 29.999 29.460 -0.031 0.000 1.312 2918 W HN 0.407 nan 8.180 nan 0.000 0.608 2919 R N -0.134 120.495 120.500 0.215 0.000 3.460 2919 R HA -0.226 4.114 4.340 0.000 0.000 0.254 2919 R C -2.268 174.072 176.300 0.066 0.000 1.028 2919 R CA -0.061 56.098 56.100 0.099 0.000 0.688 2919 R CB -2.167 28.201 30.300 0.114 0.000 1.062 2919 R HN 0.166 nan 8.270 nan 0.000 0.463 2920 P HA -0.119 nan 4.420 nan 0.000 0.267 2920 P C 0.044 177.372 177.300 0.048 0.000 1.175 2920 P CA 0.627 63.777 63.100 0.085 0.000 0.763 2920 P CB 0.652 32.437 31.700 0.142 0.000 0.795 2921 S N 1.618 117.357 115.700 0.065 0.000 2.537 2921 S HA 0.140 4.610 4.470 0.000 0.000 0.275 2921 S C 1.390 175.996 174.600 0.011 0.000 1.272 2921 S CA -0.355 57.870 58.200 0.040 0.000 1.050 2921 S CB 0.058 63.294 63.200 0.060 0.000 0.961 2921 S HN 0.361 nan 8.310 nan 0.000 0.496 2922 S N 3.723 119.418 115.700 -0.009 0.000 2.392 2922 S HA -0.171 4.299 4.470 0.000 0.000 0.232 2922 S C 0.801 175.379 174.600 -0.037 0.000 1.041 2922 S CA 1.953 60.132 58.200 -0.035 0.000 1.026 2922 S CB -0.490 62.697 63.200 -0.021 0.000 0.845 2922 S HN 0.852 nan 8.310 nan 0.000 0.465 2923 D N 0.361 120.756 120.400 -0.009 0.000 2.338 2923 D HA 0.122 4.762 4.640 0.000 0.000 0.239 2923 D C 1.245 177.543 176.300 -0.003 0.000 1.095 2923 D CA 0.063 54.061 54.000 -0.002 0.000 0.888 2923 D CB -0.020 40.791 40.800 0.018 0.000 0.899 2923 D HN 0.182 nan 8.370 nan 0.000 0.525 2924 L N 0.227 121.447 121.223 -0.007 0.000 2.189 2924 L HA 0.191 4.531 4.340 0.000 0.000 0.199 2924 L C -0.958 175.951 176.870 0.065 0.000 1.074 2924 L CA 0.938 55.790 54.840 0.021 0.000 0.783 2924 L CB -0.861 41.252 42.059 0.091 0.000 0.955 2924 L HN -0.100 nan 8.230 nan 0.000 0.460 2925 P HA -0.157 nan 4.420 nan 0.000 0.216 2925 P C 1.693 178.928 177.300 -0.110 0.000 1.157 2925 P CA 1.775 64.652 63.100 -0.373 0.000 0.880 2925 P CB 0.014 31.403 31.700 -0.519 0.000 0.791 2926 S N -1.411 114.246 115.700 -0.073 0.000 2.474 2926 S HA -0.082 4.388 4.470 0.000 0.000 0.235 2926 S C 1.455 176.070 174.600 0.025 0.000 0.997 2926 S CA 0.551 58.736 58.200 -0.025 0.000 0.949 2926 S CB -0.709 62.477 63.200 -0.023 0.000 0.766 2926 S HN 0.017 nan 8.310 nan 0.000 0.517 2927 L N 1.321 122.567 121.223 0.039 0.000 2.292 2927 L HA 0.404 4.744 4.340 0.000 0.000 0.196 2927 L C 0.085 177.021 176.870 0.110 0.000 1.246 2927 L CA 0.893 55.777 54.840 0.073 0.000 0.864 2927 L CB -1.071 40.996 42.059 0.014 0.000 1.044 2927 L HN 0.132 nan 8.230 nan 0.000 0.504 2928 L N 2.029 123.185 121.223 -0.112 0.000 2.667 2928 L HA 0.139 4.479 4.340 0.000 0.000 0.278 2928 L C -0.479 176.437 176.870 0.077 0.000 1.217 2928 L CA 0.593 55.221 54.840 -0.354 0.000 0.935 2928 L CB -0.876 40.823 42.059 -0.600 0.000 1.193 2928 L HN 0.606 nan 8.230 nan 0.000 0.493 2929 T N -0.226 114.442 114.554 0.190 0.000 3.071 2929 T HA 0.325 4.675 4.350 0.000 0.000 0.311 2929 T C -0.383 174.366 174.700 0.081 0.000 1.042 2929 T CA -1.133 61.053 62.100 0.144 0.000 1.028 2929 T CB 1.284 70.221 68.868 0.115 0.000 1.068 2929 T HN 0.535 nan 8.240 nan 0.000 0.451 2930 E N 1.116 121.328 120.200 0.020 0.000 2.636 2930 E HA 0.206 4.556 4.350 0.000 0.000 0.278 2930 E C 1.483 177.867 176.600 -0.361 0.000 1.064 2930 E CA 1.265 57.597 56.400 -0.114 0.000 1.011 2930 E CB -0.173 29.535 29.700 0.013 0.000 1.029 2930 E HN 1.289 nan 8.360 nan 0.000 0.463 2931 G N 1.057 109.262 108.800 -0.992 0.000 2.220 2931 G HA2 -0.288 3.673 3.960 0.000 0.000 0.269 2931 G HA3 -0.288 3.673 3.960 0.000 0.000 0.269 2931 G C 0.060 174.661 174.900 -0.499 0.000 0.977 2931 G CA 0.395 44.727 45.100 -1.280 0.000 0.634 2931 G HN 0.360 nan 8.290 nan 0.000 0.539 2932 Q N -0.169 119.447 119.800 -0.305 0.000 2.245 2932 Q HA 0.541 4.881 4.340 0.000 0.000 0.256 2932 Q C 0.330 176.138 176.000 -0.320 0.000 0.942 2932 Q CA -0.750 54.877 55.803 -0.293 0.000 0.896 2932 Q CB 1.525 30.088 28.738 -0.291 0.000 1.272 2932 Q HN 0.533 nan 8.270 nan 0.000 0.442 2933 R N 1.937 122.168 120.500 -0.448 0.000 2.265 2933 R HA 0.384 4.724 4.340 0.000 0.000 0.314 2933 R C -1.198 174.794 176.300 -0.512 0.000 1.053 2933 R CA 0.073 55.929 56.100 -0.408 0.000 0.931 2933 R CB 0.357 30.368 30.300 -0.482 0.000 1.024 2933 R HN 0.482 nan 8.270 nan 0.000 0.457 2934 Y N 1.995 122.197 120.300 -0.164 0.000 2.545 2934 Y HA 0.388 4.939 4.550 0.000 0.000 0.348 2934 Y C -0.264 175.551 175.900 -0.142 0.000 1.002 2934 Y CA -1.037 56.990 58.100 -0.122 0.000 1.039 2934 Y CB 2.007 40.418 38.460 -0.082 0.000 1.271 2934 Y HN 0.453 nan 8.280 nan 0.000 0.467 2935 R N 2.637 123.142 120.500 0.009 0.000 2.352 2935 R HA 0.574 4.914 4.340 0.000 0.000 0.304 2935 R C -1.837 174.208 176.300 -0.425 0.000 1.104 2935 R CA -0.479 55.505 56.100 -0.193 0.000 0.991 2935 R CB 0.108 30.295 30.300 -0.188 0.000 1.140 2935 R HN 0.641 nan 8.270 nan 0.000 0.540 2936 I N 4.025 124.383 120.570 -0.353 0.000 2.532 2936 I HA 0.237 4.407 4.170 0.000 0.000 0.292 2936 I C -0.532 175.240 176.117 -0.576 0.000 1.014 2936 I CA -0.224 60.838 61.300 -0.396 0.000 1.340 2936 I CB 0.659 38.562 38.000 -0.162 0.000 1.422 2936 I HN 0.407 nan 8.210 nan 0.000 0.528 2937 Y N 3.574 123.810 120.300 -0.107 0.000 2.429 2937 Y HA 0.354 4.904 4.550 0.000 0.000 0.342 2937 Y C 0.448 176.391 175.900 0.071 0.000 1.004 2937 Y CA -1.165 56.929 58.100 -0.010 0.000 1.075 2937 Y CB 0.800 39.342 38.460 0.137 0.000 1.214 2937 Y HN 0.636 nan 8.280 nan 0.000 0.455 2938 H N -0.532 118.597 119.070 0.098 0.000 2.884 2938 H HA -0.208 4.348 4.556 0.000 0.000 0.289 2938 H C -0.072 175.246 175.328 -0.018 0.000 1.142 2938 H CA 0.517 56.574 56.048 0.014 0.000 1.158 2938 H CB -1.433 28.323 29.762 -0.010 0.000 1.325 2938 H HN 0.357 nan 8.280 nan 0.000 0.366 2939 L N 0.595 121.839 121.223 0.035 0.000 2.415 2939 L HA 0.419 4.759 4.340 0.000 0.000 0.269 2939 L C -0.109 176.767 176.870 0.010 0.000 1.244 2939 L CA 0.563 55.401 54.840 -0.002 0.000 1.113 2939 L CB -0.293 41.737 42.059 -0.049 0.000 1.352 2939 L HN 0.285 nan 8.230 nan 0.000 0.433 2940 S N 1.859 117.577 115.700 0.030 0.000 2.757 2940 S HA 0.811 5.282 4.470 0.000 0.000 0.285 2940 S C -0.098 174.525 174.600 0.038 0.000 1.196 2940 S CA -0.055 58.163 58.200 0.029 0.000 0.856 2940 S CB 2.046 65.258 63.200 0.020 0.000 1.212 2940 S HN 0.219 nan 8.310 nan 0.000 0.516 2941 V N -0.273 119.663 119.914 0.037 0.000 2.029 2941 V HA -0.087 4.033 4.120 0.000 0.000 0.494 2941 V C -0.724 175.397 176.094 0.044 0.000 2.745 2941 V CA 0.499 62.821 62.300 0.037 0.000 3.620 2941 V CB -1.343 30.504 31.823 0.041 0.000 1.079 2941 V HN 1.150 nan 8.190 nan 0.000 1.072 2942 S N 1.840 117.569 115.700 0.047 0.000 4.049 2942 S HA -0.192 4.278 4.470 0.000 0.000 0.368 2942 S C 0.026 174.661 174.600 0.058 0.000 0.773 2942 S CA 1.831 60.062 58.200 0.052 0.000 1.294 2942 S CB -0.377 62.858 63.200 0.059 0.000 1.880 2942 S HN 0.724 nan 8.310 nan 0.000 0.482 2943 K N 1.142 121.577 120.400 0.057 0.000 2.041 2943 K HA 0.723 5.043 4.320 0.000 0.000 0.277 2943 K C 0.589 177.224 176.600 0.059 0.000 0.965 2943 K CA -0.573 55.750 56.287 0.061 0.000 1.138 2943 K CB 0.371 32.910 32.500 0.065 0.000 3.194 2943 K HN 0.531 nan 8.250 nan 0.000 1.085 2944 S N 0.288 116.023 115.700 0.057 0.000 3.441 2944 S HA -0.161 4.309 4.470 0.000 0.000 0.856 2944 S C 0.167 174.804 174.600 0.062 0.000 1.189 2944 S CA 1.334 59.565 58.200 0.052 0.000 0.923 2944 S CB -0.011 63.211 63.200 0.036 0.000 0.627 2944 S HN 0.780 nan 8.310 nan 0.000 0.276 2945 K N 1.719 122.157 120.400 0.064 0.000 1.615 2945 K HA -0.055 4.265 4.320 0.000 0.000 0.100 2945 K C 0.462 177.111 176.600 0.080 0.000 2.253 2945 K CA 0.672 57.010 56.287 0.085 0.000 1.055 2945 K CB -1.101 31.453 32.500 0.091 0.000 2.464 2945 K HN 0.863 nan 8.250 nan 0.000 0.379 2946 N N 2.294 121.031 118.700 0.062 0.000 2.221 2946 N HA -0.114 4.626 4.740 0.000 0.000 0.239 2946 N C 0.739 176.290 175.510 0.067 0.000 1.328 2946 N CA 1.491 54.575 53.050 0.055 0.000 0.878 2946 N CB 0.548 39.063 38.487 0.048 0.000 1.083 2946 N HN 0.201 nan 8.380 nan 0.000 0.471 2947 K N -1.984 118.459 120.400 0.072 0.000 3.238 2947 K HA -0.230 4.090 4.320 0.000 0.000 0.187 2947 K C -0.785 175.915 176.600 0.168 0.000 0.809 2947 K CA 1.888 58.265 56.287 0.149 0.000 0.511 2947 K CB -1.704 30.887 32.500 0.152 0.000 0.762 2947 K HN 0.499 nan 8.250 nan 0.000 0.754 2948 F N 1.533 121.461 119.950 -0.036 0.000 2.594 2948 F HA 0.405 4.933 4.527 0.000 0.000 0.335 2948 F C 0.944 176.706 175.800 -0.065 0.000 1.058 2948 F CA -0.053 57.920 58.000 -0.045 0.000 0.981 2948 F CB 1.525 40.472 39.000 -0.089 0.000 1.289 2948 F HN 0.510 nan 8.300 nan 0.000 0.490 2949 E N 0.396 120.626 120.200 0.050 0.000 3.440 2949 E HA -0.340 4.010 4.350 0.000 0.000 0.328 2949 E C 0.304 176.956 176.600 0.087 0.000 1.514 2949 E CA 2.451 58.714 56.400 -0.228 0.000 1.926 2949 E CB -1.094 28.293 29.700 -0.521 0.000 1.874 2949 E HN 0.913 nan 8.360 nan 0.000 0.471 2950 W N -2.499 118.809 121.300 0.013 0.000 1.169 2950 W HA 0.252 4.912 4.660 0.000 0.000 0.147 2950 W C -2.001 174.512 176.519 -0.010 0.000 0.671 2950 W CA 0.384 57.728 57.345 -0.001 0.000 0.621 2950 W CB -0.912 28.542 29.460 -0.010 0.000 0.679 2950 W HN 0.262 nan 8.180 nan 0.000 0.482 2951 P HA 0.105 nan 4.420 nan 0.000 0.249 2951 P C 0.107 177.381 177.300 -0.043 0.000 1.686 2951 P CA 0.977 64.041 63.100 -0.060 0.000 0.873 2951 P CB 0.466 32.059 31.700 -0.178 0.000 1.828 2952 S N 1.063 116.767 115.700 0.007 0.000 2.328 2952 S HA 0.314 4.784 4.470 0.000 0.000 0.204 2952 S C 0.193 174.807 174.600 0.025 0.000 1.475 2952 S CA -0.782 57.420 58.200 0.003 0.000 1.148 2952 S CB -0.429 62.774 63.200 0.005 0.000 1.077 2952 S HN 0.033 nan 8.310 nan 0.000 0.479 2953 I N 2.702 123.281 120.570 0.016 0.000 3.337 2953 I HA 0.479 4.649 4.170 0.000 0.000 0.246 2953 I C 0.144 176.272 176.117 0.019 0.000 1.235 2953 I CA 0.151 61.465 61.300 0.024 0.000 0.805 2953 I CB 0.745 38.753 38.000 0.013 0.000 1.684 2953 I HN 0.700 nan 8.210 nan 0.000 0.868 2954 Q N 2.120 121.933 119.800 0.022 0.000 3.775 2954 Q HA 0.247 4.587 4.340 0.000 0.000 0.163 2954 Q C -1.981 174.033 176.000 0.025 0.000 0.819 2954 Q CA -0.543 55.271 55.803 0.019 0.000 0.893 2954 Q CB 0.037 28.795 28.738 0.033 0.000 1.515 2954 Q HN 0.446 nan 8.270 nan 0.000 0.482 2955 L N 1.604 122.831 121.223 0.007 0.000 2.483 2955 L HA 0.370 4.710 4.340 0.000 0.000 0.276 2955 L C 0.287 177.170 176.870 0.022 0.000 1.213 2955 L CA 1.095 55.941 54.840 0.009 0.000 0.843 2955 L CB 0.915 42.965 42.059 -0.015 0.000 1.107 2955 L HN 0.475 nan 8.230 nan 0.000 0.487 2956 T N 1.738 116.321 114.554 0.048 0.000 3.050 2956 T HA 0.610 4.960 4.350 0.000 0.000 0.310 2956 T C -0.053 174.704 174.700 0.095 0.000 0.978 2956 T CA -0.676 61.483 62.100 0.099 0.000 1.013 2956 T CB 1.360 70.319 68.868 0.152 0.000 1.000 2956 T HN 0.819 nan 8.240 nan 0.000 0.447 2957 A N 3.275 126.152 122.820 0.094 0.000 2.609 2957 A HA 0.465 4.785 4.320 0.000 0.000 0.232 2957 A C 0.961 178.599 177.584 0.090 0.000 1.041 2957 A CA 0.318 52.406 52.037 0.085 0.000 0.753 2957 A CB -0.217 18.865 19.000 0.136 0.000 0.966 2957 A HN 0.976 nan 8.150 nan 0.000 0.510 2958 T N -0.638 113.944 114.554 0.048 0.000 2.916 2958 T HA 0.571 4.921 4.350 0.000 0.000 0.292 2958 T C 0.757 175.462 174.700 0.007 0.000 1.064 2958 T CA -0.693 61.428 62.100 0.035 0.000 1.011 2958 T CB 1.323 70.214 68.868 0.039 0.000 1.152 2958 T HN 0.501 nan 8.240 nan 0.000 0.510 2959 K N 0.745 121.143 120.400 -0.005 0.000 2.071 2959 K HA -0.192 4.128 4.320 0.000 0.000 0.217 2959 K C 2.137 178.701 176.600 -0.060 0.000 1.054 2959 K CA 2.086 58.359 56.287 -0.023 0.000 0.937 2959 K CB -0.346 32.136 32.500 -0.030 0.000 0.719 2959 K HN 0.654 nan 8.250 nan 0.000 0.454 2960 R N 0.698 121.135 120.500 -0.105 0.000 2.297 2960 R HA 0.045 4.385 4.340 0.000 0.000 0.197 2960 R C -0.252 175.906 176.300 -0.237 0.000 0.943 2960 R CA 0.202 56.169 56.100 -0.222 0.000 1.038 2960 R CB 0.059 30.128 30.300 -0.386 0.000 0.957 2960 R HN 0.101 nan 8.270 nan 0.000 0.484 2961 T N 1.667 116.153 114.554 -0.114 0.000 2.939 2961 T HA -0.018 4.332 4.350 0.000 0.000 0.319 2961 T C -0.217 174.332 174.700 -0.252 0.000 1.082 2961 T CA 0.676 62.708 62.100 -0.115 0.000 1.133 2961 T CB 0.864 69.648 68.868 -0.139 0.000 1.019 2961 T HN 0.293 nan 8.240 nan 0.000 0.548 2962 Q N 0.593 120.206 119.800 -0.311 0.000 2.462 2962 Q HA 0.446 4.786 4.340 0.000 0.000 0.285 2962 Q C -1.661 173.998 176.000 -0.568 0.000 1.035 2962 Q CA -0.861 54.728 55.803 -0.356 0.000 0.799 2962 Q CB 2.188 30.933 28.738 0.011 0.000 1.452 2962 Q HN 0.649 nan 8.270 nan 0.000 0.404 2963 Y N 0.487 120.814 120.300 0.045 0.000 2.364 2963 Y HA 0.424 4.974 4.550 0.000 0.000 0.340 2963 Y C -0.361 175.582 175.900 0.072 0.000 0.975 2963 Y CA -0.694 57.403 58.100 -0.006 0.000 1.089 2963 Y CB 1.855 40.276 38.460 -0.065 0.000 1.192 2963 Y HN 0.402 nan 8.280 nan 0.000 0.454 2964 Q N 3.132 123.038 119.800 0.177 0.000 2.290 2964 Q HA 0.273 4.613 4.340 0.000 0.000 0.269 2964 Q C -1.357 174.727 176.000 0.140 0.000 1.016 2964 Q CA -0.817 55.082 55.803 0.159 0.000 0.754 2964 Q CB 1.711 30.535 28.738 0.142 0.000 1.247 2964 Q HN 0.816 nan 8.270 nan 0.000 0.451 2965 Q N 4.195 124.058 119.800 0.105 0.000 2.286 2965 Q HA 0.454 4.794 4.340 0.000 0.000 0.257 2965 Q C -1.378 174.531 176.000 -0.151 0.000 0.941 2965 Q CA -0.051 55.680 55.803 -0.121 0.000 0.912 2965 Q CB 0.692 29.328 28.738 -0.170 0.000 1.192 2965 Q HN 0.628 nan 8.270 nan 0.000 0.410 2966 L N 6.367 127.440 121.223 -0.249 0.000 2.431 2966 L HA 0.565 4.905 4.340 0.000 0.000 0.266 2966 L C -2.209 174.509 176.870 -0.253 0.000 0.978 2966 L CA -2.430 52.291 54.840 -0.198 0.000 0.822 2966 L CB 2.075 44.033 42.059 -0.168 0.000 1.310 2966 L HN 0.666 nan 8.230 nan 0.000 0.409 2967 P HA 0.062 nan 4.420 nan 0.000 0.267 2967 P C -1.077 176.119 177.300 -0.173 0.000 1.201 2967 P CA -0.047 62.964 63.100 -0.149 0.000 0.775 2967 P CB 1.170 32.822 31.700 -0.080 0.000 0.854 2968 V N 0.340 120.177 119.914 -0.128 0.000 2.709 2968 V HA 0.256 4.376 4.120 0.000 0.000 0.308 2968 V C 0.212 176.316 176.094 0.017 0.000 1.062 2968 V CA -0.832 61.421 62.300 -0.078 0.000 0.901 2968 V CB 1.723 33.477 31.823 -0.116 0.000 1.003 2968 V HN 0.444 nan 8.190 nan 0.000 0.425 2969 S N 2.587 118.341 115.700 0.090 0.000 2.443 2969 S HA 0.129 4.599 4.470 0.000 0.000 0.284 2969 S C 1.566 176.208 174.600 0.070 0.000 1.206 2969 S CA 0.189 58.434 58.200 0.075 0.000 1.074 2969 S CB 0.915 64.167 63.200 0.088 0.000 0.963 2969 S HN 1.229 nan 8.310 nan 0.000 0.501 2970 S N 4.034 119.763 115.700 0.047 0.000 2.472 2970 S HA -0.429 4.041 4.470 0.000 0.000 0.292 2970 S C 1.793 176.429 174.600 0.060 0.000 1.175 2970 S CA 2.191 60.420 58.200 0.048 0.000 1.249 2970 S CB -1.031 62.190 63.200 0.034 0.000 1.208 2970 S HN 0.917 nan 8.310 nan 0.000 0.442 2971 E N 1.584 121.814 120.200 0.050 0.000 2.085 2971 E HA -0.199 4.151 4.350 0.000 0.000 0.194 2971 E C 2.298 178.933 176.600 0.060 0.000 0.994 2971 E CA 1.732 58.158 56.400 0.045 0.000 0.801 2971 E CB -1.324 28.394 29.700 0.030 0.000 0.743 2971 E HN 0.886 nan 8.360 nan 0.000 0.453 2972 T N 0.076 114.677 114.554 0.078 0.000 2.720 2972 T HA -0.195 4.156 4.350 0.000 0.000 0.268 2972 T C 1.934 176.723 174.700 0.148 0.000 1.037 2972 T CA 1.263 63.424 62.100 0.103 0.000 1.144 2972 T CB -0.388 68.577 68.868 0.162 0.000 0.864 2972 T HN 0.159 nan 8.240 nan 0.000 0.444 2973 L N 0.618 121.934 121.223 0.154 0.000 2.005 2973 L HA 0.307 4.648 4.340 0.000 0.000 0.207 2973 L C 2.210 179.183 176.870 0.171 0.000 1.072 2973 L CA 1.402 56.343 54.840 0.169 0.000 0.744 2973 L CB -1.209 40.933 42.059 0.138 0.000 0.895 2973 L HN 0.313 nan 8.230 nan 0.000 0.433 2974 L N -0.398 120.898 121.223 0.121 0.000 2.642 2974 L HA -0.160 4.180 4.340 0.000 0.000 0.236 2974 L C 2.176 179.078 176.870 0.053 0.000 1.169 2974 L CA 1.394 56.278 54.840 0.074 0.000 0.851 2974 L CB -0.685 41.401 42.059 0.046 0.000 0.968 2974 L HN 0.604 nan 8.230 nan 0.000 0.453 2975 Q N -1.958 117.885 119.800 0.072 0.000 2.378 2975 Q HA 0.094 4.434 4.340 0.000 0.000 0.216 2975 Q C 1.466 177.502 176.000 0.060 0.000 0.892 2975 Q CA 0.394 56.227 55.803 0.049 0.000 0.931 2975 Q CB 0.388 29.149 28.738 0.039 0.000 1.086 2975 Q HN 0.593 nan 8.270 nan 0.000 0.528 2976 L N -1.103 120.183 121.223 0.105 0.000 2.730 2976 L HA 0.266 4.606 4.340 0.000 0.000 0.236 2976 L C -0.183 176.790 176.870 0.171 0.000 1.061 2976 L CA -0.252 54.660 54.840 0.120 0.000 0.898 2976 L CB 0.568 42.713 42.059 0.143 0.000 1.270 2976 L HN 0.072 nan 8.230 nan 0.000 0.500 2977 Y N 1.942 122.262 120.300 0.034 0.000 2.331 2977 Y HA 0.526 5.076 4.550 0.000 0.000 0.338 2977 Y C -0.336 175.575 175.900 0.017 0.000 0.976 2977 Y CA -1.121 56.995 58.100 0.026 0.000 1.137 2977 Y CB 1.138 39.615 38.460 0.028 0.000 1.172 2977 Y HN -0.048 nan 8.280 nan 0.000 0.478 2978 Q N 8.824 128.352 119.800 -0.452 0.000 2.401 2978 Q HA 0.504 4.844 4.340 0.000 0.000 0.260 2978 Q C -2.725 172.880 176.000 -0.658 0.000 1.034 2978 Q CA -2.380 53.144 55.803 -0.466 0.000 0.737 2978 Q CB 1.285 29.902 28.738 -0.201 0.000 1.227 2978 Q HN 0.460 nan 8.270 nan 0.000 0.488 2979 P HA -0.118 nan 4.420 nan 0.000 0.272 2979 P C -0.896 176.298 177.300 -0.176 0.000 1.225 2979 P CA 0.311 63.118 63.100 -0.489 0.000 0.800 2979 P CB 0.510 32.052 31.700 -0.263 0.000 0.894 2980 R N 1.325 121.810 120.500 -0.025 0.000 2.248 2980 R HA 0.114 4.454 4.340 0.000 0.000 0.337 2980 R C 1.061 177.396 176.300 0.058 0.000 1.085 2980 R CA -0.100 56.021 56.100 0.035 0.000 0.934 2980 R CB 0.079 30.440 30.300 0.103 0.000 1.034 2980 R HN 0.585 nan 8.270 nan 0.000 0.465 2981 E N 3.332 123.539 120.200 0.013 0.000 3.466 2981 E HA 0.331 4.681 4.350 0.000 0.000 0.265 2981 E C -0.731 175.847 176.600 -0.037 0.000 1.291 2981 E CA -0.743 55.656 56.400 -0.001 0.000 1.226 2981 E CB 0.733 30.419 29.700 -0.023 0.000 1.404 2981 E HN 0.275 nan 8.360 nan 0.000 0.697 2982 L N 1.455 122.623 121.223 -0.092 0.000 2.372 2982 L HA 0.267 4.607 4.340 0.000 0.000 0.274 2982 L C -0.632 176.169 176.870 -0.115 0.000 0.988 2982 L CA -1.044 53.693 54.840 -0.173 0.000 0.833 2982 L CB 1.863 43.752 42.059 -0.284 0.000 1.236 2982 L HN 0.560 nan 8.230 nan 0.000 0.410 2983 L N 7.087 128.247 121.223 -0.106 0.000 2.597 2983 L HA 0.224 4.564 4.340 0.000 0.000 0.271 2983 L C -2.062 174.758 176.870 -0.084 0.000 1.157 2983 L CA -0.637 54.134 54.840 -0.116 0.000 0.928 2983 L CB 0.607 42.583 42.059 -0.139 0.000 1.216 2983 L HN 0.386 nan 8.230 nan 0.000 0.481 2984 P HA 0.116 nan 4.420 nan 0.000 0.288 2984 P C 0.609 177.948 177.300 0.066 0.000 1.363 2984 P CA -0.485 62.639 63.100 0.039 0.000 0.837 2984 P CB 0.524 32.200 31.700 -0.039 0.000 0.981 2985 F N 1.821 121.719 119.950 -0.087 0.000 2.094 2985 F HA -0.333 4.194 4.527 0.000 0.000 0.296 2985 F C 2.651 178.375 175.800 -0.127 0.000 1.070 2985 F CA 2.419 60.381 58.000 -0.064 0.000 1.255 2985 F CB -2.110 36.914 39.000 0.040 0.000 1.000 2985 F HN 0.322 nan 8.300 nan 0.000 0.490 2986 S N -0.532 115.231 115.700 0.105 0.000 2.462 2986 S HA -0.226 4.244 4.470 0.000 0.000 0.243 2986 S C 1.982 176.480 174.600 -0.171 0.000 1.003 2986 S CA 1.113 59.275 58.200 -0.064 0.000 0.970 2986 S CB -0.348 62.847 63.200 -0.010 0.000 0.762 2986 S HN 0.331 nan 8.310 nan 0.000 0.510 2987 K N 1.528 121.746 120.400 -0.304 0.000 2.031 2987 K HA 0.198 4.518 4.320 0.000 0.000 0.205 2987 K C 1.994 178.236 176.600 -0.596 0.000 1.049 2987 K CA 0.913 56.804 56.287 -0.660 0.000 0.939 2987 K CB -0.845 30.912 32.500 -1.238 0.000 0.717 2987 K HN 0.458 nan 8.250 nan 0.000 0.438 2988 L N 1.367 122.361 121.223 -0.383 0.000 2.661 2988 L HA -0.135 4.205 4.340 0.000 0.000 0.236 2988 L C 1.280 178.191 176.870 0.068 0.000 1.176 2988 L CA 0.709 55.532 54.840 -0.029 0.000 0.836 2988 L CB -0.319 41.761 42.059 0.035 0.000 0.960 2988 L HN 0.020 nan 8.230 nan 0.000 0.455 2989 S N -2.142 113.540 115.700 -0.030 0.000 2.603 2989 S HA 0.052 4.522 4.470 0.000 0.000 0.232 2989 S C 0.167 174.775 174.600 0.014 0.000 1.016 2989 S CA -0.447 57.756 58.200 0.005 0.000 0.976 2989 S CB 0.288 63.459 63.200 -0.048 0.000 0.921 2989 S HN 0.349 nan 8.310 nan 0.000 0.516 2990 D N 1.532 121.937 120.400 0.009 0.000 2.198 2990 D HA 0.350 4.990 4.640 0.000 0.000 0.245 2990 D C -1.784 174.585 176.300 0.115 0.000 1.079 2990 D CA -2.081 51.941 54.000 0.037 0.000 0.854 2990 D CB 1.499 42.298 40.800 -0.000 0.000 1.148 2990 D HN -0.159 nan 8.370 nan 0.000 0.456 2991 P HA -0.202 nan 4.420 nan 0.000 0.208 2991 P C 0.996 178.369 177.300 0.123 0.000 1.180 2991 P CA 1.914 65.078 63.100 0.106 0.000 0.935 2991 P CB -0.029 31.711 31.700 0.067 0.000 0.785 2992 A N -1.416 121.457 122.820 0.088 0.000 2.214 2992 A HA -0.199 4.121 4.320 0.000 0.000 0.221 2992 A C 0.972 178.611 177.584 0.091 0.000 1.167 2992 A CA 0.648 52.729 52.037 0.073 0.000 0.670 2992 A CB -1.848 17.182 19.000 0.050 0.000 0.797 2992 A HN 0.197 nan 8.150 nan 0.000 0.477 2993 F N 0.523 120.433 119.950 -0.068 0.000 2.541 2993 F HA 0.361 4.888 4.527 0.000 0.000 0.378 2993 F C 0.493 176.126 175.800 -0.278 0.000 1.068 2993 F CA -0.030 57.860 58.000 -0.182 0.000 1.199 2993 F CB 0.180 39.041 39.000 -0.231 0.000 1.091 2993 F HN 0.321 nan 8.300 nan 0.000 0.555 2994 Q N 9.178 128.470 119.800 -0.846 0.000 2.878 2994 Q HA 0.335 4.675 4.340 0.000 0.000 0.232 2994 Q C -2.745 172.695 176.000 -0.932 0.000 0.893 2994 Q CA -1.975 53.315 55.803 -0.854 0.000 0.742 2994 Q CB 1.323 29.898 28.738 -0.270 0.000 1.354 2994 Q HN 0.420 nan 8.270 nan 0.000 0.466 2995 P HA 0.214 nan 4.420 nan 0.000 0.271 2995 P C -2.594 174.513 177.300 -0.321 0.000 1.218 2995 P CA -1.223 61.403 63.100 -0.790 0.000 0.780 2995 P CB 0.326 31.515 31.700 -0.851 0.000 0.901 2996 P HA -0.023 nan 4.420 nan 0.000 0.262 2996 P C -0.046 177.249 177.300 -0.009 0.000 1.199 2996 P CA 0.363 63.418 63.100 -0.074 0.000 0.763 2996 P CB -0.399 31.261 31.700 -0.066 0.000 0.790 2997 C N 2.323 121.640 119.300 0.028 0.000 4.454 2997 C HA -0.156 4.304 4.460 0.000 0.000 0.298 2997 C C 1.319 176.374 174.990 0.109 0.000 1.384 2997 C CA 0.550 59.615 59.018 0.078 0.000 2.002 2997 C CB -3.488 24.321 27.740 0.115 0.000 1.249 2997 C HN 0.759 nan 8.230 nan 0.000 0.783 2998 S N -0.208 115.567 115.700 0.126 0.000 3.312 2998 S HA -0.238 4.232 4.470 0.000 0.000 0.388 2998 S C 0.226 174.995 174.600 0.282 0.000 1.020 2998 S CA 1.984 60.361 58.200 0.295 0.000 1.127 2998 S CB -0.531 62.799 63.200 0.218 0.000 0.892 2998 S HN 0.925 nan 8.310 nan 0.000 0.475 2999 E N -0.964 119.341 120.200 0.175 0.000 2.359 2999 E HA 0.743 5.093 4.350 0.000 0.000 0.266 2999 E C -0.349 176.310 176.600 0.099 0.000 0.920 2999 E CA -0.920 55.579 56.400 0.166 0.000 0.788 2999 E CB 2.223 32.017 29.700 0.156 0.000 1.279 2999 E HN 0.211 nan 8.360 nan 0.000 0.438 3000 V N -1.883 118.088 119.914 0.094 0.000 3.178 3000 V HA 0.552 4.672 4.120 0.000 0.000 0.302 3000 V C -1.642 174.470 176.094 0.030 0.000 1.262 3000 V CA -1.057 61.272 62.300 0.049 0.000 1.030 3000 V CB 2.297 34.151 31.823 0.052 0.000 1.074 3000 V HN 0.546 nan 8.190 nan 0.000 0.438 3001 D N 1.604 122.016 120.400 0.020 0.000 2.248 3001 D HA 0.769 5.409 4.640 0.000 0.000 0.246 3001 D C -0.208 176.077 176.300 -0.025 0.000 1.027 3001 D CA -0.046 53.990 54.000 0.060 0.000 0.853 3001 D CB 2.383 43.292 40.800 0.182 0.000 1.243 3001 D HN 1.121 nan 8.370 nan 0.000 0.462 3002 V N -1.510 118.402 119.914 -0.003 0.000 3.182 3002 V HA 0.846 4.966 4.120 0.000 0.000 0.308 3002 V C -0.993 175.106 176.094 0.009 0.000 1.240 3002 V CA -0.754 61.508 62.300 -0.064 0.000 1.063 3002 V CB 2.222 33.981 31.823 -0.107 0.000 1.076 3002 V HN 0.268 nan 8.190 nan 0.000 0.446 3003 V N 0.470 120.419 119.914 0.059 0.000 2.711 3003 V HA 0.972 5.092 4.120 0.000 0.000 0.304 3003 V C 0.293 176.525 176.094 0.229 0.000 1.097 3003 V CA 0.561 62.921 62.300 0.100 0.000 0.906 3003 V CB 1.299 33.084 31.823 -0.064 0.000 1.015 3003 V HN 1.678 nan 8.190 nan 0.000 0.427 3004 G N 2.288 111.228 108.800 0.233 0.000 2.523 3004 G HA2 0.550 4.510 3.960 0.000 0.000 0.291 3004 G HA3 0.550 4.510 3.960 0.000 0.000 0.291 3004 G C -1.707 173.306 174.900 0.189 0.000 1.450 3004 G CA -0.578 44.658 45.100 0.228 0.000 0.790 3004 G HN 0.535 nan 8.290 nan 0.000 0.496 3005 V N 1.065 121.065 119.914 0.143 0.000 2.408 3005 V HA 0.288 4.408 4.120 0.000 0.000 0.267 3005 V C 0.840 177.051 176.094 0.195 0.000 1.047 3005 V CA -0.549 61.841 62.300 0.149 0.000 0.937 3005 V CB 1.046 32.952 31.823 0.137 0.000 0.999 3005 V HN 0.570 nan 8.190 nan 0.000 0.472 3006 V N 6.279 126.307 119.914 0.189 0.000 2.673 3006 V HA 0.012 4.132 4.120 0.000 0.000 0.303 3006 V C 1.123 177.318 176.094 0.169 0.000 1.046 3006 V CA 1.081 63.497 62.300 0.194 0.000 1.126 3006 V CB 1.365 33.282 31.823 0.157 0.000 0.934 3006 V HN 0.872 nan 8.190 nan 0.000 0.487 3007 V N 1.505 121.526 119.914 0.179 0.000 3.604 3007 V HA 0.492 4.612 4.120 0.000 0.000 0.277 3007 V C 0.366 176.506 176.094 0.077 0.000 1.399 3007 V CA 0.792 63.167 62.300 0.125 0.000 1.034 3007 V CB 0.564 32.454 31.823 0.112 0.000 0.824 3007 V HN 1.089 nan 8.190 nan 0.000 0.439 3008 S N -1.061 114.705 115.700 0.110 0.000 2.658 3008 S HA 0.532 5.002 4.470 0.000 0.000 0.312 3008 S C -1.361 173.324 174.600 0.142 0.000 1.006 3008 S CA -0.284 57.952 58.200 0.060 0.000 0.855 3008 S CB 0.883 64.047 63.200 -0.059 0.000 1.053 3008 S HN 0.625 nan 8.310 nan 0.000 0.455 3009 V N 2.945 122.903 119.914 0.074 0.000 2.384 3009 V HA 0.641 4.762 4.120 0.000 0.000 0.287 3009 V C -0.343 175.774 176.094 0.038 0.000 1.020 3009 V CA -0.555 61.776 62.300 0.052 0.000 0.850 3009 V CB 1.539 33.336 31.823 -0.044 0.000 0.987 3009 V HN 0.871 nan 8.190 nan 0.000 0.436 3010 V N 5.448 125.409 119.914 0.078 0.000 2.417 3010 V HA 0.468 4.588 4.120 0.000 0.000 0.291 3010 V C 0.074 176.174 176.094 0.009 0.000 1.024 3010 V CA -0.820 61.514 62.300 0.057 0.000 0.861 3010 V CB 1.685 33.583 31.823 0.126 0.000 0.985 3010 V HN 0.847 nan 8.190 nan 0.000 0.436 3011 K N 4.152 124.545 120.400 -0.011 0.000 2.961 3011 K HA 0.382 4.702 4.320 0.000 0.000 0.187 3011 K C -2.545 174.049 176.600 -0.010 0.000 1.110 3011 K CA -1.406 54.864 56.287 -0.029 0.000 0.968 3011 K CB 0.731 33.201 32.500 -0.050 0.000 1.287 3011 K HN 0.502 nan 8.250 nan 0.000 0.578 3012 P HA -0.095 nan 4.420 nan 0.000 0.266 3012 P C -0.183 177.121 177.300 0.007 0.000 1.186 3012 P CA -0.347 62.760 63.100 0.011 0.000 0.767 3012 P CB 0.393 32.106 31.700 0.022 0.000 0.820 3013 I N 1.699 122.274 120.570 0.008 0.000 2.648 3013 I HA 0.327 4.497 4.170 0.000 0.000 0.284 3013 I C 1.246 177.370 176.117 0.012 0.000 1.153 3013 I CA 1.787 63.092 61.300 0.008 0.000 1.426 3013 I CB -0.316 37.689 38.000 0.008 0.000 1.381 3013 I HN 0.754 nan 8.210 nan 0.000 0.571 3014 G N 5.981 114.788 108.800 0.013 0.000 2.780 3014 G HA2 -0.090 3.870 3.960 0.000 0.000 0.237 3014 G HA3 -0.090 3.870 3.960 0.000 0.000 0.237 3014 G C -0.514 174.398 174.900 0.020 0.000 1.965 3014 G CA -0.071 45.040 45.100 0.018 0.000 1.577 3014 G HN 0.743 nan 8.290 nan 0.000 0.543 3015 L N -0.380 120.856 121.223 0.022 0.000 2.794 3015 L HA 0.597 4.937 4.340 0.000 0.000 0.261 3015 L C 0.087 176.972 176.870 0.024 0.000 0.989 3015 L CA -0.134 54.721 54.840 0.025 0.000 0.900 3015 L CB 2.147 44.229 42.059 0.038 0.000 1.473 3015 L HN 2.498 nan 8.230 nan 0.000 0.414 3016 A N 0.706 123.537 122.820 0.018 0.000 4.223 3016 A HA 0.006 4.326 4.320 0.000 0.000 0.204 3016 A C -2.734 174.848 177.584 -0.004 0.000 1.197 3016 A CA -0.863 51.181 52.037 0.011 0.000 0.863 3016 A CB -2.122 16.894 19.000 0.027 0.000 0.929 3016 A HN 0.344 nan 8.150 nan 0.000 0.505 3017 P HA 0.481 nan 4.420 nan 0.000 0.269 3017 P C 0.024 177.302 177.300 -0.036 0.000 1.217 3017 P CA 0.240 63.300 63.100 -0.067 0.000 0.783 3017 P CB 0.471 32.073 31.700 -0.164 0.000 0.898 3018 L N 0.902 122.100 121.223 -0.040 0.000 2.371 3018 L HA 0.610 4.950 4.340 0.000 0.000 0.262 3018 L C -0.819 176.050 176.870 -0.003 0.000 1.006 3018 L CA -1.078 53.756 54.840 -0.009 0.000 0.818 3018 L CB 2.469 44.538 42.059 0.017 0.000 1.354 3018 L HN -0.005 nan 8.230 nan 0.000 0.415 3019 V N 1.812 121.743 119.914 0.028 0.000 2.516 3019 V HA 0.267 4.388 4.120 0.000 0.000 0.271 3019 V C -1.023 175.166 176.094 0.159 0.000 0.992 3019 V CA -0.538 61.830 62.300 0.113 0.000 0.857 3019 V CB 1.093 32.962 31.823 0.078 0.000 1.047 3019 V HN 0.413 nan 8.190 nan 0.000 0.455 3020 Y N 4.489 124.862 120.300 0.122 0.000 2.425 3020 Y HA 0.504 5.054 4.550 0.000 0.000 0.331 3020 Y C 0.558 176.568 175.900 0.183 0.000 1.157 3020 Y CA -0.050 58.138 58.100 0.146 0.000 1.372 3020 Y CB 0.490 39.013 38.460 0.105 0.000 1.253 3020 Y HN 0.401 nan 8.280 nan 0.000 0.536 3021 L N 1.300 122.741 121.223 0.363 0.000 2.260 3021 L HA 0.802 5.142 4.340 0.000 0.000 0.265 3021 L C -0.175 176.900 176.870 0.341 0.000 1.015 3021 L CA -1.085 53.973 54.840 0.365 0.000 0.826 3021 L CB 2.044 44.370 42.059 0.446 0.000 1.373 3021 L HN 0.578 nan 8.230 nan 0.000 0.450 3022 S N -0.371 115.466 115.700 0.228 0.000 2.543 3022 S HA 0.403 4.873 4.470 0.000 0.000 0.274 3022 S C -2.173 172.291 174.600 -0.226 0.000 1.149 3022 S CA -0.836 57.374 58.200 0.017 0.000 0.866 3022 S CB 1.673 64.928 63.200 0.091 0.000 1.111 3022 S HN 0.731 nan 8.310 nan 0.000 0.457 3023 D N 1.985 122.095 120.400 -0.484 0.000 2.384 3023 D HA 0.294 4.934 4.640 0.000 0.000 0.250 3023 D C 1.365 177.564 176.300 -0.169 0.000 1.029 3023 D CA -0.579 53.137 54.000 -0.474 0.000 0.990 3023 D CB 0.542 40.870 40.800 -0.786 0.000 1.175 3023 D HN 0.667 nan 8.370 nan 0.000 0.532 3024 E N 0.109 120.234 120.200 -0.127 0.000 2.253 3024 E HA -0.242 4.108 4.350 0.000 0.000 0.202 3024 E C 1.077 177.656 176.600 -0.036 0.000 1.014 3024 E CA 1.172 57.558 56.400 -0.023 0.000 0.823 3024 E CB -0.963 28.686 29.700 -0.084 0.000 0.736 3024 E HN 0.419 nan 8.360 nan 0.000 0.478 3025 C N 0.564 119.726 119.300 -0.229 0.000 2.576 3025 C HA 0.247 4.707 4.460 0.000 0.000 0.267 3025 C C 1.292 176.075 174.990 -0.346 0.000 1.364 3025 C CA -0.160 58.626 59.018 -0.388 0.000 1.723 3025 C CB -1.666 25.580 27.740 -0.823 0.000 1.778 3025 C HN 0.500 nan 8.230 nan 0.000 0.572 3026 L N -0.481 120.626 121.223 -0.195 0.000 4.232 3026 L HA -0.182 4.158 4.340 0.000 0.000 0.415 3026 L C -0.061 176.801 176.870 -0.014 0.000 1.168 3026 L CA 0.685 55.437 54.840 -0.148 0.000 0.966 3026 L CB -1.817 40.113 42.059 -0.215 0.000 2.052 3026 L HN 0.504 nan 8.230 nan 0.000 0.887 3027 H N 0.364 119.378 119.070 -0.093 0.000 2.767 3027 H HA 0.535 5.091 4.556 0.000 0.000 0.316 3027 H C 0.468 175.817 175.328 0.036 0.000 1.059 3027 H CA -0.079 55.952 56.048 -0.028 0.000 1.461 3027 H CB 0.502 30.246 29.762 -0.031 0.000 1.475 3027 H HN 0.213 nan 8.280 nan 0.000 0.531 3028 L N 3.811 125.174 121.223 0.233 0.000 2.365 3028 L HA 0.583 4.923 4.340 0.000 0.000 0.267 3028 L C 0.171 177.251 176.870 0.349 0.000 1.033 3028 L CA -0.829 54.178 54.840 0.278 0.000 0.802 3028 L CB 1.420 43.611 42.059 0.220 0.000 1.267 3028 L HN 0.424 nan 8.230 nan 0.000 0.457 3029 L N -0.309 121.125 121.223 0.351 0.000 2.720 3029 L HA 0.782 5.122 4.340 0.000 0.000 0.261 3029 L C -1.919 175.031 176.870 0.134 0.000 1.046 3029 L CA -0.628 54.344 54.840 0.219 0.000 0.886 3029 L CB 2.346 44.487 42.059 0.137 0.000 1.493 3029 L HN 0.346 nan 8.230 nan 0.000 0.407 3030 V N 1.287 121.204 119.914 0.005 0.000 3.007 3030 V HA 0.681 4.801 4.120 0.000 0.000 0.311 3030 V C -0.897 175.140 176.094 -0.097 0.000 1.120 3030 V CA -0.589 61.610 62.300 -0.169 0.000 0.980 3030 V CB 2.252 33.871 31.823 -0.340 0.000 1.033 3030 V HN 0.550 nan 8.190 nan 0.000 0.429 3031 V N 2.554 122.408 119.914 -0.100 0.000 2.447 3031 V HA 0.424 4.544 4.120 0.000 0.000 0.292 3031 V C -0.300 175.753 176.094 -0.068 0.000 1.021 3031 V CA -0.954 61.315 62.300 -0.052 0.000 0.850 3031 V CB 1.613 33.472 31.823 0.059 0.000 1.005 3031 V HN 0.794 nan 8.190 nan 0.000 0.426 3032 K N 4.123 124.411 120.400 -0.187 0.000 2.227 3032 K HA 0.539 4.859 4.320 0.000 0.000 0.280 3032 K C -1.033 175.211 176.600 -0.593 0.000 1.041 3032 K CA -0.325 55.819 56.287 -0.239 0.000 0.905 3032 K CB 1.042 33.428 32.500 -0.190 0.000 1.068 3032 K HN 0.418 nan 8.250 nan 0.000 0.470 3033 F N 0.392 120.032 119.950 -0.517 0.000 2.396 3033 F HA 0.209 4.737 4.527 0.000 0.000 0.343 3033 F C 1.438 176.917 175.800 -0.536 0.000 1.104 3033 F CA -0.025 57.665 58.000 -0.516 0.000 1.161 3033 F CB 1.555 40.365 39.000 -0.317 0.000 1.146 3033 F HN 0.715 nan 8.300 nan 0.000 0.522 3034 G N 3.487 112.056 108.800 -0.385 0.000 2.673 3034 G HA2 0.115 4.075 3.960 0.000 0.000 0.208 3034 G HA3 0.115 4.075 3.960 0.000 0.000 0.208 3034 G C 0.789 175.732 174.900 0.071 0.000 1.128 3034 G CA 0.130 45.212 45.100 -0.030 0.000 0.805 3034 G HN 0.583 nan 8.290 nan 0.000 0.526 3035 I N -1.651 118.971 120.570 0.087 0.000 3.846 3035 I HA 0.455 4.625 4.170 0.000 0.000 0.233 3035 I C -0.804 175.393 176.117 0.133 0.000 1.435 3035 I CA -0.893 60.484 61.300 0.129 0.000 0.795 3035 I CB 0.526 38.621 38.000 0.158 0.000 1.760 3035 I HN -0.211 nan 8.210 nan 0.000 0.818 3036 D N 1.397 121.864 120.400 0.112 0.000 2.181 3036 D HA 0.383 5.023 4.640 0.000 0.000 0.248 3036 D C -0.442 175.845 176.300 -0.022 0.000 1.020 3036 D CA -0.383 53.639 54.000 0.036 0.000 0.891 3036 D CB 2.380 43.202 40.800 0.036 0.000 1.187 3036 D HN 0.376 nan 8.370 nan 0.000 0.443 3037 L N 2.440 123.561 121.223 -0.171 0.000 2.600 3037 L HA -0.018 4.323 4.340 0.000 0.000 0.278 3037 L C 0.756 177.531 176.870 -0.159 0.000 1.139 3037 L CA -0.192 54.455 54.840 -0.322 0.000 0.933 3037 L CB -0.550 41.270 42.059 -0.399 0.000 1.266 3037 L HN 0.126 nan 8.230 nan 0.000 0.471 3038 N N 3.493 122.137 118.700 -0.094 0.000 2.955 3038 N HA -0.179 4.561 4.740 0.000 0.000 0.205 3038 N C 0.628 176.134 175.510 -0.006 0.000 1.697 3038 N CA 0.503 53.557 53.050 0.007 0.000 1.005 3038 N CB -0.341 38.211 38.487 0.109 0.000 1.297 3038 N HN 0.648 nan 8.380 nan 0.000 0.469 3039 E N -1.352 118.822 120.200 -0.044 0.000 3.414 3039 E HA -0.313 4.037 4.350 0.000 0.000 0.386 3039 E C -0.566 176.021 176.600 -0.023 0.000 1.447 3039 E CA 1.803 58.185 56.400 -0.030 0.000 1.430 3039 E CB -1.251 28.446 29.700 -0.006 0.000 1.533 3039 E HN 0.379 nan 8.360 nan 0.000 0.423 3040 D N 1.109 121.512 120.400 0.006 0.000 2.479 3040 D HA 0.188 4.828 4.640 0.000 0.000 0.253 3040 D C 0.255 176.576 176.300 0.034 0.000 1.278 3040 D CA 0.717 54.730 54.000 0.022 0.000 1.145 3040 D CB -0.053 40.770 40.800 0.037 0.000 1.118 3040 D HN 0.290 nan 8.370 nan 0.000 0.513 3041 I N 0.819 121.391 120.570 0.004 0.000 4.481 3041 I HA 0.032 4.202 4.170 0.000 0.000 0.353 3041 I C 0.147 176.265 176.117 0.001 0.000 1.296 3041 I CA -0.270 61.033 61.300 0.006 0.000 1.228 3041 I CB 0.186 38.129 38.000 -0.095 0.000 1.725 3041 I HN -0.004 nan 8.210 nan 0.000 0.608 3042 K N 2.120 122.522 120.400 0.004 0.000 2.234 3042 K HA 0.201 4.521 4.320 0.000 0.000 0.251 3042 K C -2.282 174.341 176.600 0.039 0.000 1.011 3042 K CA -1.227 55.065 56.287 0.009 0.000 0.889 3042 K CB -0.291 32.213 32.500 0.007 0.000 1.011 3042 K HN -0.064 nan 8.250 nan 0.000 0.505 3043 P HA -0.033 nan 4.420 nan 0.000 0.270 3043 P C -0.423 176.916 177.300 0.064 0.000 1.221 3043 P CA 0.312 63.450 63.100 0.063 0.000 0.788 3043 P CB 0.450 32.180 31.700 0.051 0.000 0.904 3044 R N -1.959 118.589 120.500 0.080 0.000 3.884 3044 R HA -0.137 4.203 4.340 0.000 0.000 0.464 3044 R C -0.409 175.928 176.300 0.062 0.000 0.963 3044 R CA 0.867 57.008 56.100 0.068 0.000 1.408 3044 R CB -2.971 27.360 30.300 0.051 0.000 2.054 3044 R HN 0.256 nan 8.270 nan 0.000 0.522 3045 V N 2.290 122.250 119.914 0.075 0.000 2.389 3045 V HA 0.186 4.306 4.120 0.000 0.000 0.264 3045 V C 0.619 176.776 176.094 0.105 0.000 1.049 3045 V CA -0.489 61.859 62.300 0.081 0.000 0.932 3045 V CB 0.930 32.805 31.823 0.087 0.000 1.011 3045 V HN 0.049 nan 8.190 nan 0.000 0.475 3046 L N 7.011 128.287 121.223 0.088 0.000 2.565 3046 L HA 0.179 4.519 4.340 0.000 0.000 0.275 3046 L C 0.211 177.165 176.870 0.140 0.000 1.137 3046 L CA 0.748 55.649 54.840 0.102 0.000 0.915 3046 L CB -0.012 42.087 42.059 0.068 0.000 1.232 3046 L HN 0.394 nan 8.230 nan 0.000 0.473 3047 I N 3.312 123.994 120.570 0.188 0.000 2.499 3047 I HA 0.462 4.632 4.170 0.000 0.000 0.296 3047 I C 0.430 176.672 176.117 0.207 0.000 0.992 3047 I CA -0.456 60.988 61.300 0.239 0.000 1.297 3047 I CB 1.473 39.696 38.000 0.372 0.000 1.410 3047 I HN 0.589 nan 8.210 nan 0.000 0.507 3048 A N 5.740 128.667 122.820 0.178 0.000 2.335 3048 A HA 0.827 5.147 4.320 0.000 0.000 0.304 3048 A C -0.507 177.066 177.584 -0.017 0.000 1.118 3048 A CA -0.509 51.679 52.037 0.251 0.000 0.757 3048 A CB 1.115 20.348 19.000 0.388 0.000 1.188 3048 A HN 0.769 nan 8.150 nan 0.000 0.460 3049 A N 1.838 124.627 122.820 -0.052 0.000 2.350 3049 A HA 0.852 5.172 4.320 0.000 0.000 0.324 3049 A C -0.083 177.433 177.584 -0.114 0.000 1.118 3049 A CA -0.458 51.313 52.037 -0.442 0.000 0.783 3049 A CB 1.168 19.695 19.000 -0.789 0.000 1.236 3049 A HN 0.912 nan 8.150 nan 0.000 0.457 3050 S N 0.895 116.477 115.700 -0.197 0.000 2.521 3050 S HA 0.549 5.020 4.470 0.000 0.000 0.295 3050 S C -0.261 174.306 174.600 -0.055 0.000 1.098 3050 S CA -0.686 57.472 58.200 -0.071 0.000 0.999 3050 S CB 0.863 63.978 63.200 -0.141 0.000 1.034 3050 S HN 0.844 nan 8.310 nan 0.000 0.483 3051 N N 1.005 119.695 118.700 -0.016 0.000 2.753 3051 N HA -0.129 4.612 4.740 0.000 0.000 0.252 3051 N C -1.262 174.302 175.510 0.089 0.000 1.071 3051 N CA 0.061 53.131 53.050 0.034 0.000 0.690 3051 N CB -1.113 37.413 38.487 0.065 0.000 0.906 3051 N HN 0.460 nan 8.380 nan 0.000 0.552 3052 L N 0.906 122.168 121.223 0.066 0.000 2.307 3052 L HA 0.286 4.626 4.340 0.000 0.000 0.282 3052 L C 0.810 177.769 176.870 0.148 0.000 1.051 3052 L CA -0.444 54.446 54.840 0.083 0.000 0.804 3052 L CB 1.529 43.607 42.059 0.032 0.000 1.197 3052 L HN 0.290 nan 8.230 nan 0.000 0.431 3053 Q N 2.502 122.404 119.800 0.169 0.000 2.307 3053 Q HA 0.073 4.413 4.340 0.000 0.000 0.259 3053 Q C -1.338 174.751 176.000 0.149 0.000 0.998 3053 Q CA -0.439 55.454 55.803 0.149 0.000 0.923 3053 Q CB 0.837 29.624 28.738 0.081 0.000 1.196 3053 Q HN 0.525 nan 8.270 nan 0.000 0.416 3054 W N 6.314 127.617 121.300 0.004 0.000 2.433 3054 W HA 0.416 5.076 4.660 0.000 0.000 0.315 3054 W C -1.125 175.368 176.519 -0.042 0.000 1.087 3054 W CA -0.779 56.561 57.345 -0.009 0.000 1.205 3054 W CB 0.942 30.393 29.460 -0.015 0.000 1.288 3054 W HN 0.482 nan 8.180 nan 0.000 0.504 3055 R N 6.924 126.521 120.500 -1.504 0.000 2.744 3055 R HA 0.449 4.789 4.340 0.000 0.000 0.279 3055 R C -2.844 172.518 176.300 -1.563 0.000 0.977 3055 R CA -2.227 52.989 56.100 -1.473 0.000 0.906 3055 R CB 1.737 31.638 30.300 -0.664 0.000 1.197 3055 R HN 0.274 nan 8.270 nan 0.000 0.463 3056 P HA -0.070 nan 4.420 nan 0.000 0.252 3056 P C -0.439 176.835 177.300 -0.044 0.000 1.147 3056 P CA 0.757 63.719 63.100 -0.231 0.000 0.779 3056 P CB 0.318 31.933 31.700 -0.142 0.000 0.733 3057 E N 0.712 121.026 120.200 0.191 0.000 2.660 3057 E HA 0.078 4.428 4.350 0.000 0.000 0.216 3057 E C 0.307 176.986 176.600 0.130 0.000 0.986 3057 E CA 0.114 56.593 56.400 0.133 0.000 1.037 3057 E CB 0.307 30.103 29.700 0.159 0.000 1.041 3057 E HN 0.379 nan 8.360 nan 0.000 0.480 3058 S N 0.180 115.965 115.700 0.143 0.000 2.612 3058 S HA 0.121 4.591 4.470 0.000 0.000 0.253 3058 S C 1.169 175.805 174.600 0.060 0.000 1.346 3058 S CA 0.439 58.697 58.200 0.095 0.000 0.976 3058 S CB 0.613 63.869 63.200 0.094 0.000 0.949 3058 S HN 0.218 nan 8.310 nan 0.000 0.584 3059 T N -0.347 114.232 114.554 0.042 0.000 11.675 3059 T HA -0.221 4.129 4.350 0.000 0.000 0.407 3059 T C 0.484 175.203 174.700 0.031 0.000 1.535 3059 T CA 1.724 63.843 62.100 0.031 0.000 2.503 3059 T CB -1.751 67.134 68.868 0.027 0.000 2.785 3059 T HN 0.678 nan 8.240 nan 0.000 0.895 3060 S N 2.600 118.323 115.700 0.039 0.000 2.466 3060 S HA 0.175 4.645 4.470 0.000 0.000 0.286 3060 S C 1.534 176.162 174.600 0.046 0.000 1.221 3060 S CA 0.074 58.299 58.200 0.042 0.000 1.091 3060 S CB 0.985 64.213 63.200 0.047 0.000 0.956 3060 S HN 0.650 nan 8.310 nan 0.000 0.501 3061 R N 2.047 122.574 120.500 0.045 0.000 2.276 3061 R HA -0.108 4.232 4.340 0.000 0.000 0.243 3061 R C 0.486 176.825 176.300 0.066 0.000 1.161 3061 R CA 1.226 57.355 56.100 0.047 0.000 1.007 3061 R CB -0.368 29.961 30.300 0.048 0.000 0.867 3061 R HN 0.407 nan 8.270 nan 0.000 0.472 3062 V N 0.611 120.573 119.914 0.080 0.000 2.848 3062 V HA 0.269 4.389 4.120 0.000 0.000 0.262 3062 V C -2.896 173.251 176.094 0.088 0.000 1.061 3062 V CA -2.055 60.308 62.300 0.106 0.000 0.930 3062 V CB 1.833 33.752 31.823 0.159 0.000 1.058 3062 V HN -0.010 nan 8.190 nan 0.000 0.491 3063 P HA 0.151 nan 4.420 nan 0.000 0.266 3063 P C -0.343 176.989 177.300 0.053 0.000 1.180 3063 P CA 0.863 64.011 63.100 0.081 0.000 0.765 3063 P CB 0.347 32.112 31.700 0.108 0.000 0.806 3064 T N 3.386 117.963 114.554 0.038 0.000 2.829 3064 T HA 0.578 4.928 4.350 0.000 0.000 0.280 3064 T C -0.297 174.422 174.700 0.032 0.000 0.999 3064 T CA -0.501 61.604 62.100 0.009 0.000 0.983 3064 T CB 0.470 69.334 68.868 -0.008 0.000 0.968 3064 T HN 0.140 nan 8.240 nan 0.000 0.446 3065 L N 2.704 123.944 121.223 0.029 0.000 2.362 3065 L HA 0.649 4.989 4.340 0.000 0.000 0.271 3065 L C -1.081 175.820 176.870 0.052 0.000 1.002 3065 L CA -1.055 53.825 54.840 0.066 0.000 0.818 3065 L CB 1.892 43.985 42.059 0.057 0.000 1.298 3065 L HN 0.564 nan 8.230 nan 0.000 0.420 3066 F N 1.816 121.722 119.950 -0.073 0.000 2.469 3066 F HA 0.660 5.187 4.527 0.000 0.000 0.332 3066 F C 0.167 175.888 175.800 -0.131 0.000 1.103 3066 F CA -0.799 57.136 58.000 -0.108 0.000 0.979 3066 F CB 1.671 40.608 39.000 -0.104 0.000 1.137 3066 F HN 0.449 nan 8.300 nan 0.000 0.463 3067 A N 4.823 127.345 122.820 -0.497 0.000 2.415 3067 A HA 0.564 4.884 4.320 0.000 0.000 0.309 3067 A C 0.516 178.128 177.584 0.047 0.000 1.356 3067 A CA 0.186 52.024 52.037 -0.333 0.000 0.998 3067 A CB -0.747 17.713 19.000 -0.901 0.000 1.145 3067 A HN 1.038 nan 8.150 nan 0.000 0.545 3068 G N 1.333 110.268 108.800 0.225 0.000 2.485 3068 G HA2 0.253 4.213 3.960 0.000 0.000 0.260 3068 G HA3 0.253 4.213 3.960 0.000 0.000 0.260 3068 G C 0.464 175.388 174.900 0.041 0.000 1.459 3068 G CA -0.140 45.060 45.100 0.167 0.000 1.060 3068 G HN 0.648 nan 8.290 nan 0.000 0.546 3069 N N -1.170 117.431 118.700 -0.165 0.000 2.356 3069 N HA 0.142 4.882 4.740 0.000 0.000 0.178 3069 N C 1.541 177.099 175.510 0.081 0.000 1.075 3069 N CA 0.268 53.245 53.050 -0.121 0.000 0.889 3069 N CB 0.211 38.492 38.487 -0.343 0.000 0.999 3069 N HN 0.437 nan 8.380 nan 0.000 0.464 3070 F N 0.742 120.772 119.950 0.132 0.000 2.569 3070 F HA 0.165 4.692 4.527 0.000 0.000 0.295 3070 F C 1.052 176.952 175.800 0.167 0.000 1.115 3070 F CA -0.610 57.520 58.000 0.216 0.000 1.450 3070 F CB 0.054 39.306 39.000 0.419 0.000 1.107 3070 F HN -0.089 nan 8.300 nan 0.000 0.563 3071 S N 0.785 116.660 115.700 0.291 0.000 2.573 3071 S HA 0.384 4.854 4.470 0.000 0.000 0.277 3071 S C -0.415 174.293 174.600 0.181 0.000 1.346 3071 S CA -0.689 57.619 58.200 0.180 0.000 1.034 3071 S CB 1.715 64.995 63.200 0.132 0.000 0.879 3071 S HN -0.053 nan 8.310 nan 0.000 0.528 3072 V N 1.877 121.843 119.914 0.086 0.000 3.007 3072 V HA 0.661 4.781 4.120 0.000 0.000 0.311 3072 V C -1.458 174.620 176.094 -0.027 0.000 1.120 3072 V CA -0.759 61.602 62.300 0.102 0.000 0.980 3072 V CB 1.954 33.784 31.823 0.012 0.000 1.033 3072 V HN 0.900 nan 8.190 nan 0.000 0.429 3073 F N 1.936 121.931 119.950 0.076 0.000 2.562 3073 F HA 0.636 5.163 4.527 0.000 0.000 0.319 3073 F C 0.034 175.872 175.800 0.063 0.000 1.154 3073 F CA -0.312 57.747 58.000 0.098 0.000 0.931 3073 F CB 2.260 41.371 39.000 0.185 0.000 1.198 3073 F HN 0.357 nan 8.300 nan 0.000 0.444 3074 S N 2.118 117.903 115.700 0.141 0.000 2.561 3074 S HA 0.687 5.157 4.470 0.000 0.000 0.303 3074 S C 0.568 175.235 174.600 0.112 0.000 1.110 3074 S CA 0.010 58.266 58.200 0.092 0.000 1.034 3074 S CB 1.494 64.692 63.200 -0.003 0.000 1.010 3074 S HN 0.802 nan 8.310 nan 0.000 0.482 3075 A N 3.559 126.443 122.820 0.107 0.000 1.933 3075 A HA 0.157 4.477 4.320 0.000 0.000 0.218 3075 A C 1.298 178.930 177.584 0.080 0.000 1.175 3075 A CA 1.421 53.517 52.037 0.099 0.000 0.628 3075 A CB -0.319 18.726 19.000 0.076 0.000 0.814 3075 A HN 1.042 nan 8.150 nan 0.000 0.444 3076 S N 0.615 116.351 115.700 0.060 0.000 2.389 3076 S HA 0.436 4.906 4.470 0.000 0.000 0.201 3076 S C -2.939 171.682 174.600 0.034 0.000 1.422 3076 S CA -1.494 56.737 58.200 0.052 0.000 1.216 3076 S CB 0.724 63.947 63.200 0.039 0.000 1.130 3076 S HN 0.247 nan 8.310 nan 0.000 0.465 3077 P HA 0.102 nan 4.420 nan 0.000 0.265 3077 P C 0.288 177.588 177.300 -0.000 0.000 1.187 3077 P CA -0.150 62.933 63.100 -0.028 0.000 0.766 3077 P CB 0.722 32.385 31.700 -0.062 0.000 0.820 3078 K N 1.313 121.693 120.400 -0.032 0.000 2.186 3078 K HA 0.016 4.336 4.320 0.000 0.000 0.202 3078 K C 0.486 177.093 176.600 0.013 0.000 1.052 3078 K CA 0.225 56.507 56.287 -0.009 0.000 0.965 3078 K CB -0.102 32.384 32.500 -0.024 0.000 0.746 3078 K HN 0.307 nan 8.250 nan 0.000 0.457 3079 E N 1.426 121.624 120.200 -0.003 0.000 2.481 3079 E HA -0.075 4.275 4.350 0.000 0.000 0.263 3079 E C 0.898 177.622 176.600 0.206 0.000 0.992 3079 E CA 0.539 56.989 56.400 0.084 0.000 0.938 3079 E CB 0.688 30.441 29.700 0.089 0.000 0.933 3079 E HN 0.349 nan 8.360 nan 0.000 0.453 3080 A N 4.015 126.939 122.820 0.173 0.000 1.825 3080 A HA -0.220 4.100 4.320 0.000 0.000 0.214 3080 A C 1.885 179.641 177.584 0.287 0.000 1.206 3080 A CA 1.838 53.973 52.037 0.163 0.000 0.609 3080 A CB -1.198 17.841 19.000 0.065 0.000 0.851 3080 A HN 0.902 nan 8.150 nan 0.000 0.445 3081 H N -3.546 115.597 119.070 0.121 0.000 2.460 3081 H HA -0.157 4.400 4.556 0.000 0.000 0.297 3081 H C 1.831 177.196 175.328 0.062 0.000 1.103 3081 H CA 1.307 57.400 56.048 0.075 0.000 1.292 3081 H CB -0.409 29.381 29.762 0.047 0.000 1.376 3081 H HN 0.394 nan 8.280 nan 0.000 0.531 3082 F N 1.434 121.459 119.950 0.124 0.000 2.084 3082 F HA -0.147 4.380 4.527 0.000 0.000 0.296 3082 F C 3.114 178.917 175.800 0.005 0.000 1.111 3082 F CA 1.796 59.763 58.000 -0.055 0.000 1.224 3082 F CB -0.549 38.443 39.000 -0.014 0.000 0.991 3082 F HN 0.193 nan 8.300 nan 0.000 0.471 3083 Q N 0.339 120.285 119.800 0.243 0.000 2.061 3083 Q HA -0.290 4.050 4.340 0.000 0.000 0.204 3083 Q C 2.260 178.309 176.000 0.083 0.000 0.984 3083 Q CA 2.039 57.924 55.803 0.136 0.000 0.846 3083 Q CB -0.364 28.442 28.738 0.113 0.000 0.902 3083 Q HN 0.493 nan 8.270 nan 0.000 0.421 3084 E N -0.423 119.828 120.200 0.086 0.000 2.187 3084 E HA -0.312 4.038 4.350 0.000 0.000 0.199 3084 E C 1.878 178.486 176.600 0.013 0.000 1.004 3084 E CA 1.479 57.909 56.400 0.050 0.000 0.813 3084 E CB 0.066 29.805 29.700 0.064 0.000 0.736 3084 E HN 0.124 nan 8.360 nan 0.000 0.468 3085 R N -0.104 120.383 120.500 -0.021 0.000 2.072 3085 R HA 0.025 4.365 4.340 0.000 0.000 0.214 3085 R C 2.238 178.523 176.300 -0.024 0.000 1.168 3085 R CA 1.087 57.151 56.100 -0.061 0.000 1.020 3085 R CB -1.023 29.174 30.300 -0.172 0.000 0.914 3085 R HN 0.088 nan 8.270 nan 0.000 0.449 3086 V N 0.923 120.838 119.914 0.003 0.000 2.428 3086 V HA -0.313 3.807 4.120 0.000 0.000 0.255 3086 V C 1.549 177.660 176.094 0.028 0.000 1.080 3086 V CA 2.653 64.975 62.300 0.037 0.000 1.083 3086 V CB -0.458 31.419 31.823 0.089 0.000 0.665 3086 V HN 0.607 nan 8.190 nan 0.000 0.461 3087 T N -0.391 114.180 114.554 0.029 0.000 2.739 3087 T HA -0.115 4.235 4.350 0.000 0.000 0.249 3087 T C 1.641 176.364 174.700 0.038 0.000 1.050 3087 T CA 1.476 63.591 62.100 0.025 0.000 1.165 3087 T CB -0.446 68.435 68.868 0.023 0.000 0.872 3087 T HN 0.621 nan 8.240 nan 0.000 0.411 3088 N N 0.671 119.395 118.700 0.039 0.000 2.242 3088 N HA -0.177 4.563 4.740 0.000 0.000 0.193 3088 N C 1.676 177.209 175.510 0.037 0.000 1.000 3088 N CA 1.601 54.683 53.050 0.054 0.000 0.885 3088 N CB -0.189 38.308 38.487 0.016 0.000 0.988 3088 N HN 0.414 nan 8.380 nan 0.000 0.444 3089 M N -0.474 119.129 119.600 0.006 0.000 2.429 3089 M HA 0.020 4.500 4.480 0.000 0.000 0.265 3089 M C 1.881 178.166 176.300 -0.025 0.000 1.120 3089 M CA 0.837 56.119 55.300 -0.030 0.000 1.173 3089 M CB -0.026 32.544 32.600 -0.049 0.000 1.343 3089 M HN -0.002 nan 8.290 nan 0.000 0.464 3090 K N -0.675 119.722 120.400 -0.005 0.000 2.442 3090 K HA -0.254 4.066 4.320 0.000 0.000 0.200 3090 K C 1.505 178.120 176.600 0.024 0.000 1.045 3090 K CA 1.514 57.791 56.287 -0.016 0.000 0.937 3090 K CB -0.214 32.284 32.500 -0.005 0.000 0.757 3090 K HN 0.631 nan 8.250 nan 0.000 0.474 3091 H N -1.231 117.797 119.070 -0.070 0.000 2.283 3091 H HA 0.065 4.621 4.556 0.000 0.000 0.323 3091 H C 1.855 177.139 175.328 -0.073 0.000 1.088 3091 H CA 0.858 56.870 56.048 -0.061 0.000 1.511 3091 H CB -0.028 29.708 29.762 -0.043 0.000 1.473 3091 H HN 0.214 nan 8.280 nan 0.000 0.564 3092 A N 1.232 123.986 122.820 -0.109 0.000 2.067 3092 A HA -0.261 4.059 4.320 0.000 0.000 0.224 3092 A C 2.374 179.893 177.584 -0.108 0.000 1.172 3092 A CA 2.034 53.959 52.037 -0.187 0.000 0.662 3092 A CB -1.147 17.754 19.000 -0.165 0.000 0.814 3092 A HN 0.660 nan 8.150 nan 0.000 0.468 3093 I N -1.104 119.387 120.570 -0.132 0.000 2.277 3093 I HA -0.177 3.993 4.170 0.000 0.000 0.243 3093 I C 2.301 178.311 176.117 -0.179 0.000 1.094 3093 I CA 1.546 62.679 61.300 -0.277 0.000 1.393 3093 I CB -0.282 37.417 38.000 -0.503 0.000 1.078 3093 I HN 0.440 nan 8.210 nan 0.000 0.417 3094 E N 0.986 121.135 120.200 -0.085 0.000 2.086 3094 E HA -0.298 4.052 4.350 0.000 0.000 0.200 3094 E C 1.272 177.883 176.600 0.017 0.000 1.012 3094 E CA 1.922 58.309 56.400 -0.022 0.000 0.812 3094 E CB -0.511 29.207 29.700 0.030 0.000 0.743 3094 E HN 0.649 nan 8.360 nan 0.000 0.453 3095 N N 0.156 118.879 118.700 0.038 0.000 2.617 3095 N HA -0.044 4.696 4.740 0.000 0.000 0.198 3095 N C 0.806 176.367 175.510 0.086 0.000 1.317 3095 N CA 0.202 53.276 53.050 0.041 0.000 0.892 3095 N CB 0.162 38.657 38.487 0.014 0.000 1.041 3095 N HN 0.232 nan 8.380 nan 0.000 0.450 3096 I N -2.502 118.147 120.570 0.132 0.000 4.827 3096 I HA -0.031 4.140 4.170 0.000 0.000 0.362 3096 I C 0.839 177.208 176.117 0.420 0.000 1.237 3096 I CA 0.030 61.544 61.300 0.356 0.000 1.366 3096 I CB 0.487 38.693 38.000 0.345 0.000 1.742 3096 I HN -0.136 nan 8.210 nan 0.000 0.588 3097 D N 1.899 122.408 120.400 0.182 0.000 2.311 3097 D HA -0.193 4.447 4.640 0.000 0.000 0.212 3097 D C 2.060 178.447 176.300 0.145 0.000 0.972 3097 D CA 2.004 56.107 54.000 0.170 0.000 0.887 3097 D CB 0.258 41.081 40.800 0.037 0.000 0.915 3097 D HN 0.401 nan 8.370 nan 0.000 0.497 3098 T N -1.899 112.637 114.554 -0.031 0.000 3.118 3098 T HA -0.158 4.192 4.350 0.000 0.000 0.269 3098 T C 0.801 175.358 174.700 -0.238 0.000 1.166 3098 T CA 0.627 62.545 62.100 -0.303 0.000 1.073 3098 T CB -0.979 67.479 68.868 -0.683 0.000 0.884 3098 T HN 0.451 nan 8.240 nan 0.000 0.550 3099 F N -3.047 116.946 119.950 0.071 0.000 3.176 3099 F HA 0.414 4.941 4.527 0.000 0.000 0.468 3099 F C -0.365 175.482 175.800 0.078 0.000 0.908 3099 F CA -1.750 56.282 58.000 0.053 0.000 1.254 3099 F CB -0.848 38.165 39.000 0.022 0.000 2.944 3099 F HN -0.021 nan 8.300 nan 0.000 0.553 3100 Y N 1.696 122.142 120.300 0.244 0.000 2.917 3100 Y HA 0.327 4.877 4.550 0.000 0.000 0.177 3100 Y C 1.974 177.906 175.900 0.053 0.000 0.935 3100 Y CA 0.939 59.106 58.100 0.111 0.000 1.653 3100 Y CB -0.128 38.392 38.460 0.099 0.000 1.223 3100 Y HN 0.018 nan 8.280 nan 0.000 0.443 3101 K N 1.028 121.686 120.400 0.430 0.000 2.277 3101 K HA -0.241 4.079 4.320 0.000 0.000 0.206 3101 K C 1.729 178.363 176.600 0.056 0.000 1.044 3101 K CA 2.001 58.426 56.287 0.231 0.000 0.932 3101 K CB -0.130 32.497 32.500 0.212 0.000 0.726 3101 K HN 0.381 nan 8.250 nan 0.000 0.473 3102 E N -0.683 119.548 120.200 0.052 0.000 2.024 3102 E HA 0.033 4.383 4.350 0.000 0.000 0.190 3102 E C 2.103 178.675 176.600 -0.048 0.000 0.974 3102 E CA 1.102 57.510 56.400 0.014 0.000 0.810 3102 E CB -0.429 29.299 29.700 0.047 0.000 0.775 3102 E HN 0.237 nan 8.360 nan 0.000 0.453 3103 A N 2.144 124.919 122.820 -0.074 0.000 1.958 3103 A HA -0.252 4.068 4.320 0.000 0.000 0.221 3103 A C 2.094 179.554 177.584 -0.207 0.000 1.178 3103 A CA 2.034 53.979 52.037 -0.153 0.000 0.642 3103 A CB -0.524 18.335 19.000 -0.236 0.000 0.816 3103 A HN 0.265 nan 8.150 nan 0.000 0.453 3104 E N 0.558 120.588 120.200 -0.283 0.000 2.031 3104 E HA -0.220 4.130 4.350 0.000 0.000 0.193 3104 E C 1.893 178.410 176.600 -0.139 0.000 0.994 3104 E CA 1.787 58.015 56.400 -0.287 0.000 0.800 3104 E CB -0.334 29.142 29.700 -0.373 0.000 0.752 3104 E HN 0.664 nan 8.360 nan 0.000 0.447 3105 K N 0.485 120.830 120.400 -0.092 0.000 2.032 3105 K HA -0.186 4.134 4.320 0.000 0.000 0.209 3105 K C 2.310 178.867 176.600 -0.072 0.000 1.048 3105 K CA 1.683 57.930 56.287 -0.067 0.000 0.927 3105 K CB -0.215 32.261 32.500 -0.041 0.000 0.712 3105 K HN -0.075 nan 8.250 nan 0.000 0.441 3106 K N 1.790 122.148 120.400 -0.070 0.000 2.173 3106 K HA -0.166 4.154 4.320 0.000 0.000 0.207 3106 K C 1.767 178.327 176.600 -0.067 0.000 1.046 3106 K CA 1.234 57.483 56.287 -0.063 0.000 0.929 3106 K CB -0.399 32.063 32.500 -0.063 0.000 0.720 3106 K HN 0.205 nan 8.250 nan 0.000 0.453 3107 L N -0.229 120.945 121.223 -0.081 0.000 1.982 3107 L HA 0.014 4.354 4.340 0.000 0.000 0.206 3107 L C 2.274 179.113 176.870 -0.051 0.000 1.078 3107 L CA 1.521 56.321 54.840 -0.067 0.000 0.749 3107 L CB -0.481 41.532 42.059 -0.077 0.000 0.894 3107 L HN 0.301 nan 8.230 nan 0.000 0.436 3108 I N -0.178 120.359 120.570 -0.056 0.000 2.381 3108 I HA -0.357 3.813 4.170 0.000 0.000 0.255 3108 I C 2.525 178.591 176.117 -0.085 0.000 1.140 3108 I CA 1.340 62.602 61.300 -0.063 0.000 1.404 3108 I CB -0.272 37.664 38.000 -0.107 0.000 1.075 3108 I HN 0.637 nan 8.210 nan 0.000 0.433 3109 Q N 0.699 120.451 119.800 -0.080 0.000 2.077 3109 Q HA -0.218 4.122 4.340 0.000 0.000 0.206 3109 Q C 2.150 178.120 176.000 -0.050 0.000 0.989 3109 Q CA 2.943 58.704 55.803 -0.070 0.000 0.853 3109 Q CB -0.370 28.334 28.738 -0.057 0.000 0.907 3109 Q HN 0.651 nan 8.270 nan 0.000 0.418 3110 V N -1.602 118.289 119.914 -0.038 0.000 3.608 3110 V HA 0.022 4.142 4.120 0.000 0.000 0.269 3110 V C 1.841 177.926 176.094 -0.014 0.000 1.245 3110 V CA 0.442 62.727 62.300 -0.024 0.000 1.138 3110 V CB -0.327 31.483 31.823 -0.022 0.000 0.841 3110 V HN 0.168 nan 8.190 nan 0.000 0.451 3111 L N 1.147 122.362 121.223 -0.014 0.000 2.737 3111 L HA 0.273 4.613 4.340 0.000 0.000 0.246 3111 L C 0.938 177.820 176.870 0.020 0.000 1.153 3111 L CA 0.999 55.845 54.840 0.010 0.000 0.920 3111 L CB -0.830 41.243 42.059 0.024 0.000 1.090 3111 L HN 0.313 nan 8.230 nan 0.000 0.430 3112 K N -0.363 120.040 120.400 0.005 0.000 3.165 3112 K HA 0.538 4.858 4.320 0.000 0.000 0.206 3112 K C -0.014 176.590 176.600 0.007 0.000 1.123 3112 K CA 0.059 56.353 56.287 0.012 0.000 0.978 3112 K CB 0.916 33.414 32.500 -0.003 0.000 0.749 3112 K HN 0.102 nan 8.250 nan 0.000 0.454 3113 G N -0.077 108.727 108.800 0.008 0.000 2.659 3113 G HA2 0.539 4.499 3.960 0.000 0.000 0.296 3113 G HA3 0.539 4.499 3.960 0.000 0.000 0.296 3113 G C -1.233 173.672 174.900 0.008 0.000 1.369 3113 G CA -0.220 44.883 45.100 0.005 0.000 0.937 3113 G HN 0.069 nan 8.290 nan 0.000 0.485 3114 D N 0.364 120.768 120.400 0.007 0.000 4.100 3114 D HA -0.006 4.634 4.640 0.000 0.000 0.215 3114 D C 0.440 176.744 176.300 0.006 0.000 1.464 3114 D CA -0.185 53.819 54.000 0.007 0.000 1.161 3114 D CB -0.175 40.631 40.800 0.010 0.000 1.250 3114 D HN 0.572 nan 8.370 nan 0.000 0.864 3115 S N 0.932 116.634 115.700 0.004 0.000 2.585 3115 S HA 0.581 5.051 4.470 0.000 0.000 0.273 3115 S C -1.276 173.326 174.600 0.004 0.000 1.339 3115 S CA -0.805 57.397 58.200 0.004 0.000 1.028 3115 S CB 0.833 64.034 63.200 0.002 0.000 0.906 3115 S HN 0.228 nan 8.310 nan 0.000 0.528 3116 P HA 0.172 nan 4.420 nan 0.000 0.269 3116 P C -0.217 177.085 177.300 0.003 0.000 1.217 3116 P CA -0.120 62.982 63.100 0.004 0.000 0.783 3116 P CB 0.212 31.914 31.700 0.004 0.000 0.898 3117 K N 0.000 120.402 120.400 0.003 0.000 2.780 3117 K HA 0.000 4.320 4.320 0.000 0.000 0.191 3117 K CA 0.000 56.288 56.287 0.002 0.000 0.838 3117 K CB 0.000 32.501 32.500 0.002 0.000 1.064 3117 K HN 0.000 nan 8.250 nan 0.000 0.543