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 3mkq_1_E DATA FIRST_RESID 1 DATA SEQUENCE MKLDIKKTFS NRSDRVKGID FHPTEPWVLT TLYSGRVEIW NYETQVEVRS DATA SEQUENCE IQVTETPVRA GKFIARKNWI IVGSDDFRIR VFNYNTGEKV VDFEAHPDYI DATA SEQUENCE RSIAVHPTKP YVLSGSDDLT VKLWNWENNW ALEQTFEGHE HFVMCVAFNP DATA SEQUENCE KDPSTFASGC LDRTVKVWSL GQSTPNFTLT TGQERGVNYV DYYPLPDKPY DATA SEQUENCE MITASDDLTI KIWDYQTKSC VATLEGHMSN VSFAVFHPTL PIIISGSEDG DATA SEQUENCE TLKIWNSSTY KVEKTLNVGL ERSWCIATHP TGRKNYIASG FDNGFTVLSL DATA SEQUENCE GNDEPTLSLD PVGKLVWSGG KNAAASDIFT AVIRGNEEVE QDEPLSLQTK DATA SEQUENCE ELGSVDVFPQ SLAHSPNGRF VTVVGDGEYV IYTALAWRNK AFGKCQDFVW DATA SEQUENCE GPDSNSYALI DETGQIKYYK NFKEVTSWSV PMHSAIDRLF SGALLGVKSD DATA SEQUENCE GFVYFFDWDN GTLVRRIDVN AKDVIWSDNG ELVMIVNTNS XXXEASGYTL DATA SEQUENCE LFNKDAYLEA ANNGNIDDSE GVDEAFDVLY ELSESITSGK WVGDVFIFTT DATA SEQUENCE ATNRLNYFVG GKTYNLAHYT KEMYLLGYLA RDNKVYLADR EVHVYGYEIS DATA SEQUENCE LEVLEFQTLT LRGEIEEAIE NVLPNVEGKD SLTKIARFLE GQEYYEEALN DATA SEQUENCE ISPDQDQKFE LALKVGQLTL ARDLLTDESA EMKWRALGDA SLQRFNFKLA DATA SEQUENCE IEAFTNAHDL ESLFLLHSSF NNKEGLVTLA KDAETTGKFN LAFNAYWIAG DATA SEQUENCE DIQGAKDLLI KSQRFSEAAF LGSTYGLGDN EVNDIVTKWK ENLILNGKNT DATA SEQUENCE VSERVCGAEG LPG 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.312 176.300 0.021 0.000 1.140 1 M CA 0.000 55.299 55.300 -0.001 0.000 0.988 1 M CB 0.000 32.544 32.600 -0.093 0.000 1.302 2 K N 4.468 124.931 120.400 0.105 0.000 2.276 2 K HA 0.672 4.992 4.320 -0.000 0.000 0.285 2 K C -1.382 175.276 176.600 0.096 0.000 1.062 2 K CA -0.284 56.060 56.287 0.094 0.000 0.918 2 K CB 0.572 33.140 32.500 0.114 0.000 1.055 2 K HN 0.519 nan 8.250 nan 0.000 0.477 3 L N 2.243 123.494 121.223 0.048 0.000 2.543 3 L HA 0.390 4.730 4.340 -0.000 0.000 0.265 3 L C -1.339 175.552 176.870 0.034 0.000 0.945 3 L CA -1.100 53.764 54.840 0.040 0.000 0.869 3 L CB 1.633 43.688 42.059 -0.007 0.000 1.294 3 L HN 0.546 nan 8.230 nan 0.000 0.405 4 D N 3.046 123.472 120.400 0.044 0.000 2.443 4 D HA 0.351 4.991 4.640 -0.000 0.000 0.221 4 D C -0.282 176.046 176.300 0.046 0.000 1.097 4 D CA -0.121 53.904 54.000 0.042 0.000 0.865 4 D CB 1.192 42.019 40.800 0.045 0.000 1.034 4 D HN 0.638 nan 8.370 nan 0.000 0.511 5 I N 2.010 122.607 120.570 0.046 0.000 2.396 5 I HA 0.111 4.281 4.170 -0.000 0.000 0.289 5 I C 0.693 176.854 176.117 0.072 0.000 1.056 5 I CA -0.285 61.052 61.300 0.062 0.000 1.365 5 I CB 0.623 38.658 38.000 0.058 0.000 1.407 5 I HN 0.047 nan 8.210 nan 0.000 0.509 6 K N 6.463 126.921 120.400 0.096 0.000 2.221 6 K HA 0.415 4.735 4.320 -0.000 0.000 0.258 6 K C -0.727 175.955 176.600 0.136 0.000 0.944 6 K CA -0.974 55.377 56.287 0.107 0.000 0.823 6 K CB 1.823 34.393 32.500 0.117 0.000 1.113 6 K HN 0.393 nan 8.250 nan 0.000 0.431 7 K N 2.169 122.639 120.400 0.116 0.000 2.228 7 K HA 0.038 4.358 4.320 -0.000 0.000 0.284 7 K C 0.482 177.188 176.600 0.177 0.000 1.088 7 K CA -0.036 56.324 56.287 0.122 0.000 0.941 7 K CB 0.364 32.907 32.500 0.072 0.000 1.158 7 K HN 0.547 nan 8.250 nan 0.000 0.438 8 T N 2.360 117.058 114.554 0.241 0.000 2.777 8 T HA -0.091 4.259 4.350 -0.000 0.000 0.266 8 T C 0.038 174.961 174.700 0.373 0.000 1.040 8 T CA 1.067 63.355 62.100 0.315 0.000 1.141 8 T CB -0.090 69.010 68.868 0.387 0.000 0.868 8 T HN 0.586 nan 8.240 nan 0.000 0.444 9 F N 1.031 121.044 119.950 0.104 0.000 2.688 9 F HA 0.373 4.900 4.527 -0.000 0.000 0.332 9 F C -1.580 174.183 175.800 -0.061 0.000 1.131 9 F CA -1.062 56.968 58.000 0.051 0.000 1.113 9 F CB 1.038 40.130 39.000 0.154 0.000 1.359 9 F HN -0.005 nan 8.300 nan 0.000 0.551 10 S N 4.048 119.454 115.700 -0.490 0.000 2.532 10 S HA 0.635 5.105 4.470 -0.000 0.000 0.299 10 S C -1.550 172.410 174.600 -1.067 0.000 1.105 10 S CA -0.733 57.015 58.200 -0.754 0.000 1.018 10 S CB 1.892 64.863 63.200 -0.381 0.000 1.021 10 S HN 0.733 nan 8.310 nan 0.000 0.483 11 N N 1.573 119.412 118.700 -1.434 0.000 2.296 11 N HA 0.393 5.133 4.740 -0.000 0.000 0.294 11 N C -0.947 174.085 175.510 -0.797 0.000 1.033 11 N CA -0.622 51.683 53.050 -1.242 0.000 0.839 11 N CB 1.300 38.650 38.487 -1.895 0.000 1.395 11 N HN 0.538 nan 8.380 nan 0.000 0.479 12 R N 1.586 121.818 120.500 -0.447 0.000 2.490 12 R HA 0.491 4.831 4.340 -0.000 0.000 0.280 12 R C -0.386 175.824 176.300 -0.149 0.000 1.077 12 R CA -0.071 55.883 56.100 -0.242 0.000 1.065 12 R CB 0.532 30.744 30.300 -0.148 0.000 1.003 12 R HN 0.940 nan 8.270 nan 0.000 0.470 13 S N 0.196 115.859 115.700 -0.062 0.000 2.654 13 S HA 0.176 4.646 4.470 -0.000 0.000 0.267 13 S C -1.271 173.360 174.600 0.051 0.000 1.151 13 S CA -1.123 57.089 58.200 0.021 0.000 0.873 13 S CB 0.898 64.140 63.200 0.070 0.000 1.181 13 S HN 0.386 nan 8.310 nan 0.000 0.489 14 D N 0.919 121.364 120.400 0.075 0.000 2.363 14 D HA 0.216 4.856 4.640 -0.000 0.000 0.240 14 D C 0.515 176.877 176.300 0.104 0.000 1.236 14 D CA -0.196 53.852 54.000 0.080 0.000 0.927 14 D CB 0.253 41.103 40.800 0.084 0.000 1.150 14 D HN 0.565 nan 8.370 nan 0.000 0.458 15 R N 0.553 121.109 120.500 0.094 0.000 2.504 15 R HA 0.069 4.409 4.340 -0.000 0.000 0.291 15 R C -0.524 175.843 176.300 0.110 0.000 0.974 15 R CA -0.069 56.093 56.100 0.104 0.000 1.077 15 R CB 0.058 30.329 30.300 -0.048 0.000 0.926 15 R HN 0.245 nan 8.270 nan 0.000 0.407 16 V N 4.692 124.702 119.914 0.160 0.000 2.370 16 V HA 0.296 4.416 4.120 -0.000 0.000 0.279 16 V C 0.206 176.352 176.094 0.088 0.000 1.029 16 V CA -0.374 61.997 62.300 0.117 0.000 0.870 16 V CB 1.666 33.579 31.823 0.149 0.000 0.984 16 V HN 0.895 nan 8.190 nan 0.000 0.451 17 K N 4.500 124.913 120.400 0.021 0.000 2.354 17 K HA 0.344 4.664 4.320 -0.000 0.000 0.194 17 K C 0.682 177.293 176.600 0.018 0.000 1.038 17 K CA 0.714 57.001 56.287 0.000 0.000 1.052 17 K CB 1.342 33.809 32.500 -0.056 0.000 0.861 17 K HN 0.853 nan 8.250 nan 0.000 0.535 18 G N 1.063 109.855 108.800 -0.014 0.000 2.563 18 G HA2 0.708 4.668 3.960 -0.000 0.000 0.302 18 G HA3 0.708 4.668 3.960 -0.000 0.000 0.302 18 G C -1.541 173.308 174.900 -0.084 0.000 1.301 18 G CA -0.434 44.647 45.100 -0.032 0.000 0.965 18 G HN 0.064 nan 8.290 nan 0.000 0.480 19 I N 0.491 121.003 120.570 -0.098 0.000 2.785 19 I HA 0.494 4.664 4.170 -0.000 0.000 0.293 19 I C -2.307 173.742 176.117 -0.115 0.000 1.446 19 I CA -0.639 60.557 61.300 -0.174 0.000 1.028 19 I CB 2.647 40.510 38.000 -0.228 0.000 1.349 19 I HN 0.587 nan 8.210 nan 0.000 0.438 20 D N 4.454 124.784 120.400 -0.117 0.000 2.655 20 D HA 0.487 5.127 4.640 -0.000 0.000 0.229 20 D C -1.749 174.660 176.300 0.181 0.000 1.229 20 D CA -0.090 53.954 54.000 0.074 0.000 0.807 20 D CB 1.963 42.848 40.800 0.141 0.000 1.514 20 D HN 0.193 nan 8.370 nan 0.000 0.444 21 F N 1.111 121.234 119.950 0.290 0.000 2.425 21 F HA 0.359 4.886 4.527 -0.000 0.000 0.331 21 F C 0.438 176.331 175.800 0.154 0.000 1.085 21 F CA -0.690 57.470 58.000 0.266 0.000 1.028 21 F CB 1.425 40.467 39.000 0.069 0.000 1.177 21 F HN 0.347 nan 8.300 nan 0.000 0.487 22 H N 3.712 122.812 119.070 0.051 0.000 2.525 22 H HA 0.268 4.824 4.556 -0.000 0.000 0.339 22 H C -1.979 173.206 175.328 -0.238 0.000 1.109 22 H CA -1.623 54.104 56.048 -0.535 0.000 1.352 22 H CB 1.469 30.695 29.762 -0.894 0.000 1.461 22 H HN 0.239 nan 8.280 nan 0.000 0.533 23 P HA -0.159 nan 4.420 nan 0.000 0.212 23 P C 1.195 178.501 177.300 0.011 0.000 1.180 23 P CA 2.512 65.432 63.100 -0.300 0.000 0.906 23 P CB 0.078 31.598 31.700 -0.301 0.000 0.782 24 T N -4.619 109.955 114.554 0.033 0.000 3.044 24 T HA 0.089 4.439 4.350 -0.000 0.000 0.255 24 T C 0.705 175.419 174.700 0.024 0.000 1.073 24 T CA 0.319 62.478 62.100 0.099 0.000 1.125 24 T CB -0.345 68.560 68.868 0.061 0.000 0.908 24 T HN -0.103 nan 8.240 nan 0.000 0.480 25 E N 2.750 122.933 120.200 -0.027 0.000 2.204 25 E HA 0.377 4.727 4.350 -0.000 0.000 0.276 25 E C -2.511 173.801 176.600 -0.480 0.000 0.974 25 E CA -2.921 53.070 56.400 -0.682 0.000 0.815 25 E CB 1.733 30.247 29.700 -1.977 0.000 1.119 25 E HN 0.034 nan 8.360 nan 0.000 0.393 26 P HA 0.054 nan 4.420 nan 0.000 0.238 26 P C -1.073 175.895 177.300 -0.553 0.000 1.714 26 P CA 0.036 62.900 63.100 -0.394 0.000 0.908 26 P CB -0.249 31.241 31.700 -0.350 0.000 1.893 27 W N -0.028 121.174 121.300 -0.164 0.000 2.647 27 W HA 0.539 5.199 4.660 -0.000 0.000 0.353 27 W C -0.404 176.390 176.519 0.457 0.000 1.080 27 W CA -1.210 56.157 57.345 0.036 0.000 1.208 27 W CB 1.302 30.744 29.460 -0.031 0.000 1.396 27 W HN -0.264 nan 8.180 nan 0.000 0.573 28 V N 4.358 124.679 119.914 0.677 0.000 2.577 28 V HA 0.513 4.633 4.120 -0.000 0.000 0.303 28 V C -1.308 174.912 176.094 0.210 0.000 1.042 28 V CA -0.942 61.537 62.300 0.300 0.000 0.872 28 V CB 1.632 33.410 31.823 -0.075 0.000 0.998 28 V HN 0.390 nan 8.190 nan 0.000 0.423 29 L N 6.176 127.471 121.223 0.120 0.000 2.312 29 L HA 0.747 5.087 4.340 -0.000 0.000 0.281 29 L C 0.050 176.771 176.870 -0.249 0.000 1.070 29 L CA 0.950 55.685 54.840 -0.174 0.000 0.805 29 L CB 1.678 43.356 42.059 -0.636 0.000 1.174 29 L HN 0.766 nan 8.230 nan 0.000 0.434 30 T N 3.236 117.668 114.554 -0.203 0.000 2.841 30 T HA 0.551 4.901 4.350 -0.000 0.000 0.285 30 T C -0.695 173.939 174.700 -0.110 0.000 0.991 30 T CA -0.358 61.631 62.100 -0.186 0.000 0.966 30 T CB 0.884 69.659 68.868 -0.155 0.000 0.962 30 T HN 0.832 nan 8.240 nan 0.000 0.438 31 T N 3.064 117.558 114.554 -0.099 0.000 2.779 31 T HA 0.763 5.113 4.350 -0.000 0.000 0.280 31 T C -0.304 174.371 174.700 -0.042 0.000 0.987 31 T CA -0.846 61.201 62.100 -0.088 0.000 0.966 31 T CB 0.480 69.287 68.868 -0.101 0.000 0.933 31 T HN 0.348 nan 8.240 nan 0.000 0.442 32 L N 2.744 123.947 121.223 -0.033 0.000 2.334 32 L HA 0.433 4.773 4.340 -0.000 0.000 0.270 32 L C 1.025 177.889 176.870 -0.011 0.000 1.018 32 L CA -1.325 53.522 54.840 0.011 0.000 0.811 32 L CB 1.163 43.245 42.059 0.039 0.000 1.271 32 L HN 0.697 nan 8.230 nan 0.000 0.443 33 Y N 1.015 121.253 120.300 -0.103 0.000 2.352 33 Y HA -0.232 4.318 4.550 -0.000 0.000 0.292 33 Y C 2.603 178.434 175.900 -0.115 0.000 1.136 33 Y CA 1.755 59.771 58.100 -0.140 0.000 1.227 33 Y CB 0.170 38.537 38.460 -0.156 0.000 0.991 33 Y HN 0.742 nan 8.280 nan 0.000 0.545 34 S N -1.369 114.327 115.700 -0.007 0.000 2.515 34 S HA 0.131 4.601 4.470 -0.000 0.000 0.231 34 S C 1.865 176.398 174.600 -0.112 0.000 0.987 34 S CA 0.798 58.969 58.200 -0.048 0.000 0.936 34 S CB -0.486 62.717 63.200 0.005 0.000 0.766 34 S HN 0.767 nan 8.310 nan 0.000 0.528 35 G N 0.868 109.583 108.800 -0.141 0.000 2.213 35 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.226 35 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.226 35 G C 0.121 174.945 174.900 -0.127 0.000 0.992 35 G CA 0.001 45.010 45.100 -0.151 0.000 0.632 35 G HN 0.719 nan 8.290 nan 0.000 0.511 36 R N 0.306 120.749 120.500 -0.096 0.000 2.536 36 R HA 0.679 5.019 4.340 -0.000 0.000 0.279 36 R C 0.065 176.305 176.300 -0.101 0.000 1.001 36 R CA 0.064 56.106 56.100 -0.097 0.000 1.027 36 R CB 1.552 31.819 30.300 -0.055 0.000 1.096 36 R HN 0.727 nan 8.270 nan 0.000 0.502 37 V N -0.066 119.761 119.914 -0.145 0.000 2.789 37 V HA 0.652 4.772 4.120 -0.000 0.000 0.311 37 V C -1.259 174.757 176.094 -0.131 0.000 1.073 37 V CA -0.745 61.466 62.300 -0.148 0.000 0.921 37 V CB 1.835 33.517 31.823 -0.235 0.000 1.009 37 V HN 1.002 nan 8.190 nan 0.000 0.426 38 E N 4.366 124.531 120.200 -0.058 0.000 2.356 38 E HA 0.705 5.055 4.350 -0.000 0.000 0.275 38 E C -1.538 175.064 176.600 0.002 0.000 0.904 38 E CA -1.052 55.324 56.400 -0.040 0.000 0.757 38 E CB 3.016 32.767 29.700 0.086 0.000 1.232 38 E HN 0.681 nan 8.360 nan 0.000 0.442 39 I N 1.737 122.230 120.570 -0.127 0.000 2.339 39 I HA 0.388 4.558 4.170 -0.000 0.000 0.290 39 I C -1.124 174.915 176.117 -0.130 0.000 0.994 39 I CA -0.611 60.634 61.300 -0.092 0.000 1.191 39 I CB 0.655 38.491 38.000 -0.273 0.000 1.343 39 I HN 0.429 nan 8.210 nan 0.000 0.458 40 W N 4.458 125.782 121.300 0.041 0.000 2.632 40 W HA 0.354 5.014 4.660 -0.000 0.000 0.328 40 W C 0.155 176.775 176.519 0.169 0.000 1.044 40 W CA -0.630 56.816 57.345 0.168 0.000 1.225 40 W CB 1.190 30.993 29.460 0.572 0.000 1.396 40 W HN 0.389 nan 8.180 nan 0.000 0.499 41 N N 2.340 121.208 118.700 0.280 0.000 2.415 41 N HA 0.031 4.771 4.740 -0.000 0.000 0.246 41 N C 0.679 176.236 175.510 0.079 0.000 1.078 41 N CA -0.418 52.751 53.050 0.198 0.000 0.942 41 N CB 0.424 39.009 38.487 0.163 0.000 1.140 41 N HN 0.532 nan 8.380 nan 0.000 0.501 42 Y N 2.076 122.550 120.300 0.290 0.000 2.571 42 Y HA 0.168 4.718 4.550 -0.000 0.000 0.294 42 Y C 1.219 177.101 175.900 -0.029 0.000 1.141 42 Y CA 0.264 58.458 58.100 0.157 0.000 1.308 42 Y CB -0.186 38.530 38.460 0.428 0.000 1.002 42 Y HN 0.536 nan 8.280 nan 0.000 0.551 43 E N 0.494 120.657 120.200 -0.063 0.000 2.127 43 E HA -0.060 4.290 4.350 -0.000 0.000 0.191 43 E C 1.849 178.438 176.600 -0.018 0.000 0.964 43 E CA 1.285 57.712 56.400 0.044 0.000 0.832 43 E CB 0.035 29.767 29.700 0.054 0.000 0.790 43 E HN 0.585 nan 8.360 nan 0.000 0.465 44 T N -1.890 112.633 114.554 -0.052 0.000 3.107 44 T HA 0.023 4.373 4.350 -0.000 0.000 0.249 44 T C 0.685 175.331 174.700 -0.090 0.000 1.096 44 T CA -0.089 61.987 62.100 -0.039 0.000 1.012 44 T CB 0.134 68.999 68.868 -0.006 0.000 0.977 44 T HN 0.048 nan 8.240 nan 0.000 0.527 45 Q N -0.042 119.622 119.800 -0.227 0.000 2.481 45 Q HA -0.126 4.214 4.340 -0.000 0.000 0.272 45 Q C -0.951 175.034 176.000 -0.025 0.000 1.157 45 Q CA 0.244 55.801 55.803 -0.409 0.000 0.935 45 Q CB -1.961 26.560 28.738 -0.361 0.000 1.338 45 Q HN 0.536 nan 8.270 nan 0.000 0.494 46 V N 0.597 120.531 119.914 0.032 0.000 2.495 46 V HA 0.240 4.360 4.120 -0.000 0.000 0.298 46 V C 0.266 176.310 176.094 -0.083 0.000 1.031 46 V CA -0.597 61.712 62.300 0.016 0.000 0.871 46 V CB 1.798 33.603 31.823 -0.030 0.000 0.988 46 V HN 0.218 nan 8.190 nan 0.000 0.432 47 E N 3.078 123.039 120.200 -0.399 0.000 2.217 47 E HA 0.208 4.558 4.350 -0.000 0.000 0.279 47 E C 0.507 176.782 176.600 -0.542 0.000 1.068 47 E CA -0.250 55.617 56.400 -0.889 0.000 0.882 47 E CB 1.437 30.305 29.700 -1.386 0.000 1.039 47 E HN 0.485 nan 8.360 nan 0.000 0.418 48 V N 5.474 125.064 119.914 -0.541 0.000 2.223 48 V HA -0.164 3.956 4.120 -0.000 0.000 0.244 48 V C 1.101 176.955 176.094 -0.400 0.000 1.045 48 V CA 2.282 64.279 62.300 -0.505 0.000 1.000 48 V CB -0.525 30.797 31.823 -0.835 0.000 0.635 48 V HN 0.839 nan 8.190 nan 0.000 0.445 49 R N -1.493 118.759 120.500 -0.414 0.000 2.766 49 R HA 0.651 4.991 4.340 -0.000 0.000 0.270 49 R C -1.168 174.954 176.300 -0.297 0.000 1.035 49 R CA -0.444 55.476 56.100 -0.300 0.000 0.911 49 R CB 1.794 31.971 30.300 -0.205 0.000 1.243 49 R HN 0.041 nan 8.270 nan 0.000 0.460 50 S N -0.020 115.549 115.700 -0.218 0.000 2.546 50 S HA 0.743 5.213 4.470 -0.000 0.000 0.274 50 S C -1.358 173.145 174.600 -0.162 0.000 1.121 50 S CA -0.761 57.333 58.200 -0.176 0.000 0.887 50 S CB 1.132 64.247 63.200 -0.141 0.000 1.094 50 S HN 0.502 nan 8.310 nan 0.000 0.474 51 I N 3.073 123.535 120.570 -0.180 0.000 2.586 51 I HA 0.265 4.435 4.170 -0.000 0.000 0.288 51 I C -1.056 174.948 176.117 -0.189 0.000 1.147 51 I CA -0.576 60.598 61.300 -0.210 0.000 1.047 51 I CB 2.251 40.019 38.000 -0.387 0.000 1.244 51 I HN 0.492 nan 8.210 nan 0.000 0.429 52 Q N 4.973 124.697 119.800 -0.127 0.000 2.553 52 Q HA 0.166 4.506 4.340 -0.000 0.000 0.221 52 Q C 0.562 176.502 176.000 -0.100 0.000 1.219 52 Q CA -0.061 55.680 55.803 -0.103 0.000 0.955 52 Q CB 1.067 29.764 28.738 -0.068 0.000 1.399 52 Q HN 0.668 nan 8.270 nan 0.000 0.551 53 V N 1.640 121.470 119.914 -0.139 0.000 3.041 53 V HA 0.153 4.273 4.120 -0.000 0.000 0.260 53 V C 0.491 176.550 176.094 -0.059 0.000 1.105 53 V CA 1.743 63.996 62.300 -0.078 0.000 1.125 53 V CB 0.182 31.921 31.823 -0.140 0.000 0.730 53 V HN 0.692 nan 8.190 nan 0.000 0.479 54 T N -2.230 112.267 114.554 -0.096 0.000 2.663 54 T HA 0.289 4.639 4.350 -0.000 0.000 0.305 54 T C -0.236 174.392 174.700 -0.121 0.000 1.660 54 T CA 0.032 62.067 62.100 -0.108 0.000 0.976 54 T CB 1.548 70.336 68.868 -0.134 0.000 1.705 54 T HN 0.162 nan 8.240 nan 0.000 0.494 55 E N 0.885 121.007 120.200 -0.131 0.000 2.415 55 E HA 0.159 4.509 4.350 -0.000 0.000 0.197 55 E C 1.097 177.588 176.600 -0.182 0.000 1.007 55 E CA 0.494 56.815 56.400 -0.132 0.000 0.890 55 E CB 0.355 29.990 29.700 -0.109 0.000 0.891 55 E HN 0.785 nan 8.360 nan 0.000 0.496 56 T N 0.232 114.654 114.554 -0.219 0.000 2.847 56 T HA 0.357 4.707 4.350 -0.000 0.000 0.279 56 T C -2.578 171.901 174.700 -0.368 0.000 0.984 56 T CA -1.992 59.926 62.100 -0.303 0.000 0.988 56 T CB 1.770 70.461 68.868 -0.296 0.000 1.040 56 T HN -0.227 nan 8.240 nan 0.000 0.528 57 P HA 0.276 nan 4.420 nan 0.000 0.275 57 P C -0.829 176.262 177.300 -0.349 0.000 1.228 57 P CA -0.456 62.307 63.100 -0.561 0.000 0.786 57 P CB 0.777 31.842 31.700 -1.059 0.000 0.927 58 V N 5.556 125.327 119.914 -0.237 0.000 2.311 58 V HA 0.254 4.374 4.120 -0.000 0.000 0.275 58 V C 1.744 177.761 176.094 -0.130 0.000 1.022 58 V CA -0.185 62.013 62.300 -0.171 0.000 0.830 58 V CB 0.497 32.231 31.823 -0.148 0.000 1.012 58 V HN 0.520 nan 8.190 nan 0.000 0.452 59 R N 2.706 123.136 120.500 -0.118 0.000 2.200 59 R HA 0.351 4.691 4.340 -0.000 0.000 0.208 59 R C 0.727 177.010 176.300 -0.029 0.000 1.033 59 R CA 0.822 56.880 56.100 -0.071 0.000 1.000 59 R CB 0.394 30.651 30.300 -0.071 0.000 0.906 59 R HN 0.714 nan 8.270 nan 0.000 0.462 60 A N 0.250 123.051 122.820 -0.032 0.000 2.401 60 A HA 0.752 5.072 4.320 -0.000 0.000 0.310 60 A C -0.721 176.847 177.584 -0.026 0.000 1.075 60 A CA -0.608 51.427 52.037 -0.003 0.000 0.746 60 A CB 2.039 21.054 19.000 0.026 0.000 1.277 60 A HN 0.194 nan 8.150 nan 0.000 0.425 61 G N 1.436 110.226 108.800 -0.017 0.000 2.760 61 G HA2 0.590 4.550 3.960 -0.000 0.000 0.296 61 G HA3 0.590 4.550 3.960 -0.000 0.000 0.296 61 G C -1.617 173.267 174.900 -0.027 0.000 1.427 61 G CA -0.545 44.523 45.100 -0.054 0.000 1.109 61 G HN 0.502 nan 8.290 nan 0.000 0.553 62 K N 1.191 121.590 120.400 -0.002 0.000 2.502 62 K HA 0.460 4.780 4.320 -0.000 0.000 0.257 62 K C -1.366 175.299 176.600 0.107 0.000 0.938 62 K CA -0.712 55.625 56.287 0.084 0.000 0.819 62 K CB 2.546 35.166 32.500 0.199 0.000 1.333 62 K HN 0.426 nan 8.250 nan 0.000 0.434 63 F N 1.703 121.785 119.950 0.219 0.000 2.384 63 F HA 0.404 4.931 4.527 -0.000 0.000 0.338 63 F C 1.089 177.046 175.800 0.262 0.000 1.103 63 F CA -0.491 57.676 58.000 0.278 0.000 1.157 63 F CB 0.835 39.981 39.000 0.245 0.000 1.167 63 F HN 0.242 nan 8.300 nan 0.000 0.529 64 I N 3.909 124.802 120.570 0.539 0.000 2.954 64 I HA 0.183 4.353 4.170 -0.000 0.000 0.312 64 I C 0.973 177.241 176.117 0.251 0.000 1.391 64 I CA -0.165 61.329 61.300 0.323 0.000 0.906 64 I CB 0.735 38.863 38.000 0.214 0.000 2.079 64 I HN 0.818 nan 8.210 nan 0.000 0.618 65 A N 2.832 125.820 122.820 0.280 0.000 1.954 65 A HA -0.265 4.055 4.320 -0.000 0.000 0.222 65 A C 2.149 179.792 177.584 0.097 0.000 1.199 65 A CA 1.925 54.108 52.037 0.243 0.000 0.657 65 A CB -0.421 18.529 19.000 -0.082 0.000 0.823 65 A HN 0.618 nan 8.150 nan 0.000 0.463 66 R N -0.725 119.789 120.500 0.023 0.000 2.397 66 R HA -0.032 4.308 4.340 -0.000 0.000 0.213 66 R C 0.681 176.865 176.300 -0.193 0.000 1.102 66 R CA 1.211 57.288 56.100 -0.037 0.000 1.040 66 R CB 0.010 30.324 30.300 0.023 0.000 0.844 66 R HN 0.402 nan 8.270 nan 0.000 0.478 67 K N -1.073 119.126 120.400 -0.335 0.000 2.585 67 K HA 0.152 4.472 4.320 -0.000 0.000 0.210 67 K C -0.315 175.857 176.600 -0.713 0.000 1.294 67 K CA -0.018 55.801 56.287 -0.779 0.000 1.025 67 K CB 0.572 32.056 32.500 -1.694 0.000 1.076 67 K HN 0.108 nan 8.250 nan 0.000 0.613 68 N N 0.429 118.928 118.700 -0.335 0.000 2.776 68 N HA -0.156 4.584 4.740 -0.000 0.000 0.250 68 N C -0.907 174.358 175.510 -0.408 0.000 1.112 68 N CA 0.672 53.349 53.050 -0.623 0.000 0.733 68 N CB -0.754 37.388 38.487 -0.575 0.000 1.097 68 N HN 0.235 nan 8.380 nan 0.000 0.558 69 W N 0.964 122.260 121.300 -0.006 0.000 2.578 69 W HA 0.730 5.390 4.660 -0.000 0.000 0.364 69 W C 0.509 177.265 176.519 0.394 0.000 1.144 69 W CA -1.118 56.309 57.345 0.136 0.000 1.242 69 W CB 0.297 29.780 29.460 0.039 0.000 1.382 69 W HN -0.002 nan 8.180 nan 0.000 0.625 70 I N 0.825 121.698 120.570 0.505 0.000 2.499 70 I HA 0.563 4.733 4.170 -0.000 0.000 0.288 70 I C -1.235 174.988 176.117 0.176 0.000 1.048 70 I CA -0.962 60.495 61.300 0.261 0.000 1.062 70 I CB 2.165 40.199 38.000 0.057 0.000 1.238 70 I HN 0.346 nan 8.210 nan 0.000 0.426 71 I N 6.665 127.316 120.570 0.135 0.000 2.412 71 I HA 0.677 4.847 4.170 -0.000 0.000 0.296 71 I C -1.239 174.884 176.117 0.009 0.000 0.987 71 I CA -0.757 60.584 61.300 0.069 0.000 1.180 71 I CB 1.733 39.829 38.000 0.159 0.000 1.340 71 I HN 0.560 nan 8.210 nan 0.000 0.455 72 V N 6.021 125.907 119.914 -0.047 0.000 2.925 72 V HA 0.802 4.922 4.120 -0.000 0.000 0.311 72 V C -0.076 175.950 176.094 -0.113 0.000 1.104 72 V CA -0.366 61.890 62.300 -0.074 0.000 0.954 72 V CB 2.098 33.864 31.823 -0.094 0.000 1.022 72 V HN 0.861 nan 8.190 nan 0.000 0.427 73 G N 2.283 111.030 108.800 -0.089 0.000 2.566 73 G HA2 0.745 4.705 3.960 -0.000 0.000 0.311 73 G HA3 0.745 4.705 3.960 -0.000 0.000 0.311 73 G C -0.674 174.172 174.900 -0.089 0.000 1.322 73 G CA 0.030 45.075 45.100 -0.091 0.000 0.969 73 G HN 1.023 nan 8.290 nan 0.000 0.490 74 S N 0.308 115.950 115.700 -0.096 0.000 2.806 74 S HA 0.470 4.940 4.470 -0.000 0.000 0.306 74 S C -0.200 174.349 174.600 -0.083 0.000 1.167 74 S CA -0.744 57.382 58.200 -0.124 0.000 0.847 74 S CB 1.923 65.025 63.200 -0.163 0.000 1.216 74 S HN 0.260 nan 8.310 nan 0.000 0.532 75 D N 0.791 121.079 120.400 -0.186 0.000 2.378 75 D HA 0.067 4.707 4.640 -0.000 0.000 0.227 75 D C 0.382 176.581 176.300 -0.168 0.000 1.012 75 D CA 0.635 54.539 54.000 -0.160 0.000 0.905 75 D CB -0.337 40.138 40.800 -0.542 0.000 0.895 75 D HN 0.472 nan 8.370 nan 0.000 0.532 76 D N -0.410 119.841 120.400 -0.248 0.000 2.312 76 D HA -0.098 4.542 4.640 -0.000 0.000 0.211 76 D C 0.540 176.572 176.300 -0.447 0.000 0.964 76 D CA 0.266 54.013 54.000 -0.422 0.000 0.877 76 D CB 0.081 40.731 40.800 -0.250 0.000 0.924 76 D HN 0.102 nan 8.370 nan 0.000 0.515 77 F N -1.325 118.628 119.950 0.005 0.000 2.271 77 F HA -0.219 4.308 4.527 -0.000 0.000 0.353 77 F C 0.279 176.048 175.800 -0.052 0.000 0.587 77 F CA -0.187 57.831 58.000 0.030 0.000 1.803 77 F CB -1.997 37.030 39.000 0.044 0.000 2.380 77 F HN -0.022 nan 8.300 nan 0.000 0.271 78 R N 0.584 121.083 120.500 -0.002 0.000 2.668 78 R HA 0.791 5.131 4.340 -0.000 0.000 0.279 78 R C -0.164 175.921 176.300 -0.360 0.000 0.976 78 R CA -0.919 55.047 56.100 -0.223 0.000 0.978 78 R CB 2.105 32.264 30.300 -0.236 0.000 1.133 78 R HN 0.119 nan 8.270 nan 0.000 0.484 79 I N 2.694 122.819 120.570 -0.742 0.000 2.339 79 I HA 0.326 4.496 4.170 -0.000 0.000 0.290 79 I C -0.060 175.567 176.117 -0.817 0.000 0.994 79 I CA -0.484 60.339 61.300 -0.795 0.000 1.191 79 I CB 1.123 38.421 38.000 -1.169 0.000 1.343 79 I HN 0.363 nan 8.210 nan 0.000 0.458 80 R N 5.335 125.561 120.500 -0.458 0.000 2.494 80 R HA 0.676 5.016 4.340 -0.000 0.000 0.305 80 R C -1.254 174.888 176.300 -0.264 0.000 0.959 80 R CA -0.795 55.090 56.100 -0.358 0.000 0.864 80 R CB 2.663 32.926 30.300 -0.061 0.000 1.159 80 R HN 0.292 nan 8.270 nan 0.000 0.446 81 V N 4.127 123.747 119.914 -0.491 0.000 2.513 81 V HA 0.559 4.679 4.120 -0.000 0.000 0.299 81 V C -0.682 175.113 176.094 -0.497 0.000 1.035 81 V CA -0.539 61.493 62.300 -0.445 0.000 0.889 81 V CB 1.231 32.572 31.823 -0.802 0.000 0.988 81 V HN 0.528 nan 8.190 nan 0.000 0.440 82 F N 1.791 121.565 119.950 -0.294 0.000 2.620 82 F HA 0.500 5.027 4.527 0.000 0.000 0.320 82 F C 0.208 175.986 175.800 -0.037 0.000 1.069 82 F CA -0.965 56.932 58.000 -0.170 0.000 0.953 82 F CB 1.698 40.649 39.000 -0.082 0.000 1.322 82 F HN 0.400 nan 8.300 nan 0.000 0.479 83 N N 0.991 119.832 118.700 0.235 0.000 2.425 83 N HA 0.069 4.809 4.740 -0.000 0.000 0.268 83 N C 0.158 175.796 175.510 0.214 0.000 0.991 83 N CA -0.299 52.904 53.050 0.257 0.000 0.931 83 N CB 0.958 39.557 38.487 0.186 0.000 1.130 83 N HN 0.668 nan 8.380 nan 0.000 0.493 84 Y N 3.253 123.733 120.300 0.300 0.000 2.583 84 Y HA 0.244 4.794 4.550 0.000 0.000 0.293 84 Y C 1.084 177.059 175.900 0.125 0.000 1.157 84 Y CA 0.151 58.367 58.100 0.194 0.000 1.315 84 Y CB -0.346 38.273 38.460 0.264 0.000 1.021 84 Y HN 0.364 nan 8.280 nan 0.000 0.536 85 N N 0.551 119.348 118.700 0.161 0.000 2.258 85 N HA -0.097 4.644 4.740 -0.000 0.000 0.183 85 N C 1.902 177.474 175.510 0.103 0.000 1.029 85 N CA 2.328 55.476 53.050 0.162 0.000 0.857 85 N CB -0.669 37.872 38.487 0.090 0.000 1.008 85 N HN 0.595 nan 8.380 nan 0.000 0.433 86 T N -2.794 111.810 114.554 0.083 0.000 3.054 86 T HA 0.220 4.570 4.350 -0.000 0.000 0.259 86 T C 1.447 176.191 174.700 0.073 0.000 1.092 86 T CA 1.098 63.238 62.100 0.067 0.000 1.121 86 T CB 0.119 69.021 68.868 0.057 0.000 0.912 86 T HN 0.328 nan 8.240 nan 0.000 0.489 87 G N 1.170 110.036 108.800 0.109 0.000 2.179 87 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.260 87 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.260 87 G C -0.127 174.876 174.900 0.172 0.000 0.977 87 G CA 0.114 45.294 45.100 0.135 0.000 0.641 87 G HN 0.604 nan 8.290 nan 0.000 0.533 88 E N 0.620 120.879 120.200 0.097 0.000 2.373 88 E HA 0.266 4.616 4.350 -0.000 0.000 0.267 88 E C 0.540 177.056 176.600 -0.141 0.000 1.032 88 E CA -0.323 56.080 56.400 0.004 0.000 0.889 88 E CB 1.049 30.741 29.700 -0.014 0.000 0.984 88 E HN 0.484 nan 8.360 nan 0.000 0.425 89 K N 2.428 122.620 120.400 -0.347 0.000 2.312 89 K HA 0.127 4.447 4.320 -0.000 0.000 0.287 89 K C 0.546 176.837 176.600 -0.514 0.000 1.062 89 K CA -0.231 55.573 56.287 -0.805 0.000 0.934 89 K CB 0.624 32.638 32.500 -0.809 0.000 1.027 89 K HN 0.178 nan 8.250 nan 0.000 0.478 90 V N 4.211 123.781 119.914 -0.574 0.000 2.535 90 V HA -0.010 4.110 4.120 -0.000 0.000 0.246 90 V C 0.626 176.478 176.094 -0.404 0.000 1.045 90 V CA 0.596 62.632 62.300 -0.440 0.000 1.058 90 V CB 0.537 31.954 31.823 -0.678 0.000 0.689 90 V HN 0.639 nan 8.190 nan 0.000 0.461 91 V N -0.634 118.955 119.914 -0.542 0.000 3.204 91 V HA 0.571 4.691 4.120 -0.000 0.000 0.298 91 V C -2.419 173.394 176.094 -0.469 0.000 1.328 91 V CA -0.580 61.445 62.300 -0.458 0.000 1.035 91 V CB 2.507 33.958 31.823 -0.620 0.000 1.095 91 V HN 0.359 nan 8.190 nan 0.000 0.442 92 D N 3.339 123.566 120.400 -0.289 0.000 2.452 92 D HA 0.445 5.085 4.640 -0.000 0.000 0.226 92 D C -1.360 174.865 176.300 -0.125 0.000 1.366 92 D CA 0.005 53.829 54.000 -0.293 0.000 0.986 92 D CB 1.361 42.005 40.800 -0.260 0.000 1.420 92 D HN 0.514 nan 8.370 nan 0.000 0.583 93 F N 0.613 120.367 119.950 -0.327 0.000 2.685 93 F HA 0.590 5.117 4.527 0.000 0.000 0.315 93 F C -0.659 175.014 175.800 -0.212 0.000 1.126 93 F CA -1.228 56.617 58.000 -0.258 0.000 0.950 93 F CB 1.123 39.941 39.000 -0.304 0.000 1.360 93 F HN 0.029 nan 8.300 nan 0.000 0.469 94 E N 1.146 121.386 120.200 0.066 0.000 2.089 94 E HA 0.542 4.892 4.350 -0.000 0.000 0.284 94 E C 0.184 176.848 176.600 0.107 0.000 1.023 94 E CA -0.148 56.277 56.400 0.042 0.000 0.819 94 E CB 1.499 31.275 29.700 0.127 0.000 1.076 94 E HN 0.870 nan 8.360 nan 0.000 0.396 95 A N 5.682 128.478 122.820 -0.040 0.000 1.903 95 A HA 0.045 4.365 4.320 -0.000 0.000 0.213 95 A C 0.496 178.046 177.584 -0.056 0.000 1.185 95 A CA 0.807 52.873 52.037 0.049 0.000 0.628 95 A CB 0.007 19.016 19.000 0.015 0.000 0.830 95 A HN 0.752 nan 8.150 nan 0.000 0.446 96 H N -2.510 116.668 119.070 0.179 0.000 2.977 96 H HA 0.286 4.842 4.556 0.000 0.000 0.350 96 H C -2.462 172.778 175.328 -0.147 0.000 1.238 96 H CA -1.463 54.621 56.048 0.061 0.000 1.124 96 H CB 1.690 31.466 29.762 0.025 0.000 1.866 96 H HN 0.005 nan 8.280 nan 0.000 0.550 97 P HA 0.110 nan 4.420 nan 0.000 0.256 97 P C -0.328 176.311 177.300 -1.103 0.000 1.384 97 P CA 0.721 63.539 63.100 -0.470 0.000 0.879 97 P CB 0.801 32.378 31.700 -0.205 0.000 1.403 98 D N -1.035 118.711 120.400 -1.090 0.000 2.692 98 D HA 0.159 4.799 4.640 -0.000 0.000 0.303 98 D C -0.580 175.528 176.300 -0.320 0.000 1.278 98 D CA -0.906 52.479 54.000 -1.026 0.000 0.852 98 D CB 0.516 40.976 40.800 -0.566 0.000 1.375 98 D HN -0.127 nan 8.370 nan 0.000 0.453 99 Y N 0.304 120.573 120.300 -0.052 0.000 2.788 99 Y HA 0.089 4.639 4.550 -0.000 0.000 0.341 99 Y C 0.890 176.734 175.900 -0.092 0.000 1.258 99 Y CA -0.120 57.992 58.100 0.019 0.000 1.503 99 Y CB 0.406 38.815 38.460 -0.086 0.000 1.325 99 Y HN 0.084 nan 8.280 nan 0.000 0.614 100 I N 4.325 124.975 120.570 0.134 0.000 2.321 100 I HA 0.195 4.365 4.170 -0.000 0.000 0.291 100 I C 0.732 176.850 176.117 0.002 0.000 0.998 100 I CA -0.486 60.820 61.300 0.011 0.000 1.227 100 I CB 1.370 39.405 38.000 0.058 0.000 1.368 100 I HN 0.693 nan 8.210 nan 0.000 0.466 101 R N 2.616 123.104 120.500 -0.019 0.000 2.175 101 R HA 0.229 4.569 4.340 -0.000 0.000 0.202 101 R C 0.434 176.754 176.300 0.033 0.000 1.018 101 R CA 0.373 56.478 56.100 0.010 0.000 1.029 101 R CB 0.497 30.808 30.300 0.018 0.000 0.959 101 R HN 0.592 nan 8.270 nan 0.000 0.480 102 S N -0.046 115.670 115.700 0.026 0.000 2.536 102 S HA 0.628 5.098 4.470 -0.000 0.000 0.271 102 S C -1.256 173.380 174.600 0.061 0.000 1.134 102 S CA -0.675 57.552 58.200 0.044 0.000 0.897 102 S CB 1.317 64.529 63.200 0.020 0.000 1.094 102 S HN 0.059 nan 8.310 nan 0.000 0.473 103 I N 2.678 123.301 120.570 0.088 0.000 2.582 103 I HA 0.722 4.892 4.170 -0.000 0.000 0.292 103 I C -0.347 175.866 176.117 0.160 0.000 1.066 103 I CA -0.812 60.571 61.300 0.138 0.000 1.053 103 I CB 2.088 40.180 38.000 0.154 0.000 1.241 103 I HN 0.792 nan 8.210 nan 0.000 0.421 104 A N 5.653 128.591 122.820 0.197 0.000 2.414 104 A HA 0.835 5.155 4.320 -0.000 0.000 0.306 104 A C -1.128 176.753 177.584 0.494 0.000 1.054 104 A CA -0.538 51.665 52.037 0.278 0.000 0.724 104 A CB 1.729 20.801 19.000 0.121 0.000 1.267 104 A HN 0.379 nan 8.150 nan 0.000 0.418 105 V N 3.245 123.467 119.914 0.513 0.000 2.398 105 V HA 0.283 4.403 4.120 -0.000 0.000 0.286 105 V C 0.343 176.633 176.094 0.327 0.000 1.026 105 V CA -0.714 61.899 62.300 0.521 0.000 0.868 105 V CB 1.249 33.337 31.823 0.442 0.000 0.982 105 V HN 0.948 nan 8.190 nan 0.000 0.443 106 H N 8.274 127.362 119.070 0.030 0.000 2.848 106 H HA 0.167 4.723 4.556 0.000 0.000 0.341 106 H C -1.630 173.571 175.328 -0.211 0.000 1.060 106 H CA -1.496 54.189 56.048 -0.605 0.000 1.444 106 H CB 2.089 31.579 29.762 -0.453 0.000 1.446 106 H HN 0.401 nan 8.280 nan 0.000 0.583 107 P HA -0.002 nan 4.420 nan 0.000 0.236 107 P C 0.690 178.053 177.300 0.105 0.000 1.177 107 P CA 0.658 63.752 63.100 -0.010 0.000 0.773 107 P CB 0.773 32.406 31.700 -0.112 0.000 0.878 108 T N -1.908 112.826 114.554 0.301 0.000 3.010 108 T HA 0.152 4.502 4.350 -0.000 0.000 0.253 108 T C 0.637 175.240 174.700 -0.161 0.000 0.939 108 T CA 0.143 62.300 62.100 0.094 0.000 0.910 108 T CB 0.655 69.591 68.868 0.113 0.000 1.226 108 T HN 0.075 nan 8.240 nan 0.000 0.508 109 K N 2.039 122.127 120.400 -0.520 0.000 2.185 109 K HA 0.376 4.696 4.320 -0.000 0.000 0.240 109 K C -2.468 173.537 176.600 -0.992 0.000 0.983 109 K CA -2.254 53.467 56.287 -0.943 0.000 0.873 109 K CB 1.170 32.780 32.500 -1.483 0.000 1.118 109 K HN -0.141 nan 8.250 nan 0.000 0.441 110 P HA 0.019 nan 4.420 nan 0.000 0.246 110 P C -1.181 175.190 177.300 -1.548 0.000 1.686 110 P CA 0.155 61.916 63.100 -2.232 0.000 0.867 110 P CB -0.086 30.374 31.700 -2.067 0.000 1.733 111 Y N -0.478 119.426 120.300 -0.660 0.000 2.352 111 Y HA 0.479 5.029 4.550 -0.000 0.000 0.326 111 Y C 0.681 176.745 175.900 0.273 0.000 1.166 111 Y CA -1.664 56.363 58.100 -0.121 0.000 1.182 111 Y CB 1.494 39.953 38.460 -0.003 0.000 1.216 111 Y HN -0.189 nan 8.280 nan 0.000 0.474 112 V N 4.649 124.949 119.914 0.643 0.000 2.808 112 V HA 0.606 4.726 4.120 -0.000 0.000 0.308 112 V C -1.530 174.900 176.094 0.560 0.000 1.099 112 V CA -0.867 61.855 62.300 0.704 0.000 0.920 112 V CB 1.926 34.276 31.823 0.878 0.000 1.014 112 V HN 0.672 nan 8.190 nan 0.000 0.425 113 L N 5.451 126.898 121.223 0.373 0.000 2.346 113 L HA 0.822 5.162 4.340 -0.000 0.000 0.274 113 L C -0.292 176.700 176.870 0.204 0.000 1.007 113 L CA -0.433 54.467 54.840 0.100 0.000 0.818 113 L CB 2.371 44.181 42.059 -0.414 0.000 1.284 113 L HN 0.819 nan 8.230 nan 0.000 0.424 114 S N 0.538 116.398 115.700 0.265 0.000 2.538 114 S HA 0.825 5.295 4.470 -0.000 0.000 0.288 114 S C -0.451 174.240 174.600 0.153 0.000 1.108 114 S CA -0.713 57.666 58.200 0.298 0.000 0.971 114 S CB 1.947 65.494 63.200 0.578 0.000 1.041 114 S HN 0.740 nan 8.310 nan 0.000 0.483 115 G N 0.461 109.270 108.800 0.015 0.000 2.415 115 G HA2 0.620 4.580 3.960 -0.000 0.000 0.327 115 G HA3 0.620 4.580 3.960 -0.000 0.000 0.327 115 G C -0.750 174.034 174.900 -0.194 0.000 1.182 115 G CA -0.642 44.419 45.100 -0.065 0.000 0.924 115 G HN 0.924 nan 8.290 nan 0.000 0.470 116 S N 0.234 115.755 115.700 -0.298 0.000 2.667 116 S HA 0.410 4.880 4.470 -0.000 0.000 0.292 116 S C 0.045 174.542 174.600 -0.172 0.000 1.126 116 S CA -0.666 57.320 58.200 -0.357 0.000 0.881 116 S CB 1.804 64.486 63.200 -0.862 0.000 1.132 116 S HN 0.354 nan 8.310 nan 0.000 0.492 117 D N 1.364 121.618 120.400 -0.243 0.000 2.378 117 D HA 0.014 4.654 4.640 -0.000 0.000 0.227 117 D C 0.872 177.130 176.300 -0.070 0.000 1.012 117 D CA 0.576 54.374 54.000 -0.337 0.000 0.905 117 D CB -0.143 40.068 40.800 -0.982 0.000 0.895 117 D HN 0.706 nan 8.370 nan 0.000 0.532 118 D N 0.372 120.722 120.400 -0.084 0.000 2.338 118 D HA -0.094 4.546 4.640 -0.000 0.000 0.239 118 D C 1.004 177.355 176.300 0.084 0.000 1.095 118 D CA -0.165 53.832 54.000 -0.006 0.000 0.888 118 D CB -0.014 40.792 40.800 0.011 0.000 0.899 118 D HN -0.058 nan 8.370 nan 0.000 0.525 119 L N -0.848 120.458 121.223 0.139 0.000 4.937 119 L HA -0.205 4.135 4.340 -0.000 0.000 0.422 119 L C 0.648 177.640 176.870 0.205 0.000 1.059 119 L CA 1.551 56.509 54.840 0.196 0.000 1.111 119 L CB -2.727 39.435 42.059 0.172 0.000 2.033 119 L HN 0.563 nan 8.230 nan 0.000 0.708 120 T N -4.337 110.311 114.554 0.155 0.000 2.883 120 T HA 0.868 5.218 4.350 -0.000 0.000 0.284 120 T C -0.195 174.598 174.700 0.156 0.000 1.041 120 T CA -0.528 61.676 62.100 0.173 0.000 1.007 120 T CB 2.655 71.617 68.868 0.157 0.000 1.220 120 T HN -0.044 nan 8.240 nan 0.000 0.552 121 V N 1.044 121.054 119.914 0.159 0.000 2.588 121 V HA 0.597 4.717 4.120 -0.000 0.000 0.304 121 V C -0.479 175.719 176.094 0.172 0.000 1.042 121 V CA -0.859 61.520 62.300 0.132 0.000 0.877 121 V CB 1.875 33.705 31.823 0.012 0.000 0.996 121 V HN 0.902 nan 8.190 nan 0.000 0.425 122 K N 4.010 124.487 120.400 0.129 0.000 2.316 122 K HA 0.605 4.925 4.320 -0.000 0.000 0.251 122 K C -1.466 174.920 176.600 -0.356 0.000 0.934 122 K CA -0.778 55.398 56.287 -0.186 0.000 0.802 122 K CB 2.331 34.632 32.500 -0.332 0.000 1.171 122 K HN 0.371 nan 8.250 nan 0.000 0.426 123 L N 4.468 125.392 121.223 -0.499 0.000 2.298 123 L HA 0.464 4.804 4.340 -0.000 0.000 0.284 123 L C -1.750 174.870 176.870 -0.416 0.000 1.013 123 L CA -0.384 54.261 54.840 -0.326 0.000 0.824 123 L CB 0.362 42.333 42.059 -0.147 0.000 1.221 123 L HN 0.681 nan 8.230 nan 0.000 0.418 124 W N 4.532 125.957 121.300 0.208 0.000 2.529 124 W HA 0.397 5.057 4.660 -0.000 0.000 0.321 124 W C 0.405 177.076 176.519 0.254 0.000 1.047 124 W CA -0.594 56.917 57.345 0.276 0.000 1.216 124 W CB 0.904 30.675 29.460 0.518 0.000 1.357 124 W HN 0.482 nan 8.180 nan 0.000 0.489 125 N N 3.102 122.008 118.700 0.342 0.000 2.457 125 N HA 0.068 4.808 4.740 -0.000 0.000 0.250 125 N C 0.300 175.727 175.510 -0.138 0.000 0.982 125 N CA -0.742 52.364 53.050 0.094 0.000 0.941 125 N CB 0.671 39.211 38.487 0.088 0.000 1.120 125 N HN 0.673 nan 8.380 nan 0.000 0.505 126 W N 3.849 124.838 121.300 -0.519 0.000 2.905 126 W HA 0.285 4.945 4.660 0.000 0.000 0.251 126 W C 0.584 176.759 176.519 -0.574 0.000 1.305 126 W CA 0.120 56.747 57.345 -1.198 0.000 1.465 126 W CB -0.093 28.343 29.460 -1.707 0.000 1.122 126 W HN 0.501 nan 8.180 nan 0.000 0.659 127 E N 0.475 120.507 120.200 -0.279 0.000 2.465 127 E HA -0.050 4.300 4.350 -0.000 0.000 0.191 127 E C 1.051 177.600 176.600 -0.084 0.000 1.053 127 E CA -0.012 56.327 56.400 -0.100 0.000 0.869 127 E CB -0.234 29.329 29.700 -0.228 0.000 0.977 127 E HN 0.137 nan 8.360 nan 0.000 0.483 128 N N 0.699 119.339 118.700 -0.100 0.000 2.291 128 N HA 0.030 4.770 4.740 -0.000 0.000 0.244 128 N C -0.341 175.172 175.510 0.005 0.000 1.216 128 N CA 0.077 53.104 53.050 -0.037 0.000 0.879 128 N CB 0.027 38.498 38.487 -0.027 0.000 1.167 128 N HN 0.181 nan 8.380 nan 0.000 0.515 129 N N 0.088 118.791 118.700 0.005 0.000 2.850 129 N HA -0.203 4.537 4.740 -0.000 0.000 0.249 129 N C -1.196 174.450 175.510 0.227 0.000 1.060 129 N CA 0.659 53.776 53.050 0.112 0.000 0.825 129 N CB -0.991 37.548 38.487 0.087 0.000 1.132 129 N HN 0.374 nan 8.380 nan 0.000 0.564 130 W N -2.572 118.773 121.300 0.075 0.000 4.543 130 W HA -0.215 4.445 4.660 0.000 0.000 0.375 130 W C 0.540 177.072 176.519 0.022 0.000 1.434 130 W CA 0.176 57.539 57.345 0.030 0.000 0.818 130 W CB -2.045 27.256 29.460 -0.266 0.000 2.575 130 W HN 0.418 nan 8.180 nan 0.000 1.345 131 A N 1.206 124.162 122.820 0.226 0.000 2.386 131 A HA 0.508 4.828 4.320 -0.000 0.000 0.248 131 A C 0.209 177.961 177.584 0.281 0.000 1.082 131 A CA -0.403 51.749 52.037 0.191 0.000 0.789 131 A CB 0.479 19.530 19.000 0.085 0.000 1.025 131 A HN 0.536 nan 8.150 nan 0.000 0.490 132 L N 2.453 123.785 121.223 0.181 0.000 2.385 132 L HA 0.166 4.506 4.340 -0.000 0.000 0.285 132 L C 0.908 177.660 176.870 -0.197 0.000 1.125 132 L CA 0.498 55.236 54.840 -0.171 0.000 0.890 132 L CB 0.021 41.935 42.059 -0.242 0.000 1.251 132 L HN 1.096 nan 8.230 nan 0.000 0.445 133 E N 3.722 123.799 120.200 -0.205 0.000 2.216 133 E HA -0.063 4.287 4.350 -0.000 0.000 0.192 133 E C 0.208 176.642 176.600 -0.277 0.000 0.988 133 E CA 0.485 56.774 56.400 -0.184 0.000 0.834 133 E CB 0.497 30.113 29.700 -0.140 0.000 0.772 133 E HN 0.764 nan 8.360 nan 0.000 0.479 134 Q N -0.844 118.717 119.800 -0.398 0.000 2.545 134 Q HA 0.201 4.541 4.340 -0.000 0.000 0.273 134 Q C -1.816 173.816 176.000 -0.612 0.000 0.975 134 Q CA -0.578 54.914 55.803 -0.518 0.000 0.876 134 Q CB 1.916 30.281 28.738 -0.622 0.000 1.472 134 Q HN -0.019 nan 8.270 nan 0.000 0.389 135 T N 3.173 117.357 114.554 -0.617 0.000 2.809 135 T HA 0.539 4.889 4.350 -0.000 0.000 0.284 135 T C -1.232 173.128 174.700 -0.567 0.000 0.992 135 T CA -0.258 61.568 62.100 -0.457 0.000 0.957 135 T CB 0.182 68.891 68.868 -0.266 0.000 0.942 135 T HN 0.320 nan 8.240 nan 0.000 0.439 136 F N 2.603 122.361 119.950 -0.319 0.000 2.404 136 F HA 0.389 4.916 4.527 0.000 0.000 0.358 136 F C 1.069 176.693 175.800 -0.293 0.000 1.120 136 F CA -0.743 56.932 58.000 -0.541 0.000 1.144 136 F CB 0.765 39.068 39.000 -1.161 0.000 1.133 136 F HN 0.422 nan 8.300 nan 0.000 0.495 137 E N 1.267 121.500 120.200 0.054 0.000 2.212 137 E HA 0.669 5.019 4.350 -0.000 0.000 0.268 137 E C 0.486 177.298 176.600 0.352 0.000 0.902 137 E CA -0.508 56.003 56.400 0.185 0.000 0.779 137 E CB 2.126 31.881 29.700 0.092 0.000 1.172 137 E HN 0.833 nan 8.360 nan 0.000 0.409 138 G N 1.946 110.911 108.800 0.274 0.000 3.724 138 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.212 138 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.212 138 G C -0.066 174.876 174.900 0.071 0.000 0.928 138 G CA -0.588 44.604 45.100 0.153 0.000 0.879 138 G HN 0.501 nan 8.290 nan 0.000 0.424 139 H N 1.478 120.692 119.070 0.240 0.000 2.897 139 H HA 0.276 4.832 4.556 -0.000 0.000 0.347 139 H C 0.445 175.850 175.328 0.128 0.000 1.068 139 H CA 0.740 56.892 56.048 0.174 0.000 1.426 139 H CB 1.022 30.910 29.762 0.210 0.000 1.410 139 H HN 0.431 nan 8.280 nan 0.000 0.597 140 E N 1.807 122.157 120.200 0.250 0.000 2.496 140 E HA 0.076 4.426 4.350 -0.000 0.000 0.200 140 E C 0.044 176.715 176.600 0.119 0.000 1.016 140 E CA -0.005 56.477 56.400 0.137 0.000 0.962 140 E CB 0.664 30.412 29.700 0.079 0.000 1.071 140 E HN 0.427 nan 8.360 nan 0.000 0.457 141 H N -0.765 118.362 119.070 0.095 0.000 2.917 141 H HA 0.217 4.773 4.556 -0.000 0.000 0.269 141 H C -1.096 174.320 175.328 0.147 0.000 1.488 141 H CA -1.232 54.821 56.048 0.008 0.000 1.173 141 H CB 0.436 30.140 29.762 -0.098 0.000 1.868 141 H HN -0.063 nan 8.280 nan 0.000 0.600 142 F N 1.529 121.772 119.950 0.487 0.000 2.602 142 F HA 0.066 4.593 4.527 -0.000 0.000 0.385 142 F C 0.823 176.624 175.800 0.002 0.000 1.063 142 F CA -0.401 57.697 58.000 0.163 0.000 1.233 142 F CB 0.322 39.391 39.000 0.116 0.000 1.067 142 F HN -0.052 nan 8.300 nan 0.000 0.564 143 V N 6.398 126.403 119.914 0.150 0.000 2.389 143 V HA -0.023 4.097 4.120 -0.000 0.000 0.264 143 V C 0.930 177.034 176.094 0.016 0.000 1.049 143 V CA -0.283 62.003 62.300 -0.024 0.000 0.932 143 V CB 1.164 32.972 31.823 -0.025 0.000 1.011 143 V HN 0.794 nan 8.190 nan 0.000 0.475 144 M N 2.944 122.550 119.600 0.011 0.000 2.501 144 M HA 0.182 4.662 4.480 -0.000 0.000 0.261 144 M C 0.491 176.815 176.300 0.039 0.000 1.129 144 M CA 0.719 56.052 55.300 0.055 0.000 1.126 144 M CB -0.069 32.582 32.600 0.086 0.000 1.359 144 M HN 0.680 nan 8.290 nan 0.000 0.471 145 C N -0.083 119.204 119.300 -0.022 0.000 3.181 145 C HA 0.700 5.160 4.460 -0.000 0.000 0.362 145 C C -1.348 173.593 174.990 -0.082 0.000 1.125 145 C CA -0.749 58.214 59.018 -0.092 0.000 1.265 145 C CB 1.141 28.727 27.740 -0.257 0.000 1.632 145 C HN 0.135 nan 8.230 nan 0.000 0.525 146 V N 4.643 124.511 119.914 -0.076 0.000 2.789 146 V HA 0.988 5.108 4.120 -0.000 0.000 0.311 146 V C -0.272 175.796 176.094 -0.043 0.000 1.073 146 V CA 0.621 62.902 62.300 -0.031 0.000 0.921 146 V CB 1.932 33.712 31.823 -0.072 0.000 1.009 146 V HN 1.769 nan 8.190 nan 0.000 0.426 147 A N 4.952 127.789 122.820 0.029 0.000 2.540 147 A HA 0.762 5.082 4.320 -0.000 0.000 0.297 147 A C -1.259 176.439 177.584 0.191 0.000 1.056 147 A CA -0.493 51.605 52.037 0.101 0.000 0.700 147 A CB 0.964 20.065 19.000 0.170 0.000 1.280 147 A HN 0.671 nan 8.150 nan 0.000 0.398 148 F N 1.326 121.396 119.950 0.200 0.000 2.418 148 F HA 0.231 4.758 4.527 -0.000 0.000 0.341 148 F C 1.286 177.023 175.800 -0.105 0.000 1.120 148 F CA 0.599 58.660 58.000 0.101 0.000 1.232 148 F CB 0.941 39.928 39.000 -0.022 0.000 1.175 148 F HN 0.731 nan 8.300 nan 0.000 0.569 149 N N 4.554 123.123 118.700 -0.218 0.000 2.405 149 N HA 0.116 4.856 4.740 -0.000 0.000 0.260 149 N C -1.627 173.685 175.510 -0.329 0.000 1.152 149 N CA -1.527 50.953 53.050 -0.950 0.000 0.948 149 N CB 0.889 38.823 38.487 -0.921 0.000 1.111 149 N HN 0.230 nan 8.380 nan 0.000 0.485 150 P HA -0.151 nan 4.420 nan 0.000 0.225 150 P C 0.067 177.313 177.300 -0.089 0.000 1.148 150 P CA 1.311 64.359 63.100 -0.087 0.000 0.779 150 P CB 0.247 31.941 31.700 -0.011 0.000 0.780 151 K N -0.909 119.429 120.400 -0.104 0.000 2.393 151 K HA 0.058 4.378 4.320 -0.000 0.000 0.193 151 K C 0.162 176.740 176.600 -0.037 0.000 1.026 151 K CA 0.288 56.547 56.287 -0.048 0.000 1.064 151 K CB 0.263 32.761 32.500 -0.003 0.000 0.833 151 K HN 0.014 nan 8.250 nan 0.000 0.521 152 D N -0.042 120.316 120.400 -0.071 0.000 3.117 152 D HA 0.037 4.677 4.640 -0.000 0.000 0.241 152 D C -2.414 173.874 176.300 -0.019 0.000 1.385 152 D CA -1.195 52.789 54.000 -0.026 0.000 0.855 152 D CB 0.865 41.667 40.800 0.002 0.000 1.498 152 D HN -0.178 nan 8.370 nan 0.000 0.584 153 P HA -0.072 nan 4.420 nan 0.000 0.250 153 P C 0.874 178.285 177.300 0.185 0.000 1.239 153 P CA 0.461 63.530 63.100 -0.051 0.000 0.756 153 P CB -0.083 31.297 31.700 -0.534 0.000 1.013 154 S N -1.740 114.076 115.700 0.193 0.000 2.558 154 S HA 0.047 4.517 4.470 -0.000 0.000 0.217 154 S C 0.932 175.686 174.600 0.257 0.000 0.975 154 S CA 0.107 58.458 58.200 0.252 0.000 0.912 154 S CB -0.911 62.392 63.200 0.172 0.000 0.776 154 S HN 0.302 nan 8.310 nan 0.000 0.526 155 T N -0.246 114.436 114.554 0.214 0.000 2.930 155 T HA 0.774 5.124 4.350 -0.000 0.000 0.290 155 T C -0.768 174.059 174.700 0.210 0.000 1.052 155 T CA -0.965 61.212 62.100 0.128 0.000 1.017 155 T CB 1.683 70.549 68.868 -0.004 0.000 1.137 155 T HN 0.603 nan 8.240 nan 0.000 0.511 156 F N -1.261 118.677 119.950 -0.020 0.000 2.713 156 F HA 0.888 5.415 4.527 -0.000 0.000 0.311 156 F C -1.387 174.431 175.800 0.029 0.000 1.141 156 F CA -1.597 56.358 58.000 -0.075 0.000 0.939 156 F CB 0.892 39.608 39.000 -0.475 0.000 1.325 156 F HN 0.931 nan 8.300 nan 0.000 0.453 157 A N 1.072 124.014 122.820 0.203 0.000 2.380 157 A HA 0.851 5.171 4.320 -0.000 0.000 0.315 157 A C -1.052 176.640 177.584 0.181 0.000 1.101 157 A CA -0.345 51.722 52.037 0.049 0.000 0.771 157 A CB 1.290 20.278 19.000 -0.021 0.000 1.287 157 A HN 1.401 nan 8.150 nan 0.000 0.436 158 S N 0.555 116.361 115.700 0.177 0.000 2.561 158 S HA 0.721 5.191 4.470 -0.000 0.000 0.303 158 S C -0.035 174.603 174.600 0.063 0.000 1.110 158 S CA -0.155 58.172 58.200 0.211 0.000 1.034 158 S CB 1.443 64.922 63.200 0.465 0.000 1.010 158 S HN 1.526 nan 8.310 nan 0.000 0.482 159 G N 0.675 109.450 108.800 -0.041 0.000 2.322 159 G HA2 0.533 4.493 3.960 -0.000 0.000 0.309 159 G HA3 0.533 4.493 3.960 -0.000 0.000 0.309 159 G C -0.652 174.159 174.900 -0.149 0.000 1.121 159 G CA -0.604 44.453 45.100 -0.072 0.000 0.886 159 G HN 0.947 nan 8.290 nan 0.000 0.447 160 C N 3.468 122.660 119.300 -0.181 0.000 2.707 160 C HA 0.487 4.947 4.460 -0.000 0.000 0.313 160 C C 1.302 176.234 174.990 -0.096 0.000 1.209 160 C CA -0.716 58.170 59.018 -0.220 0.000 1.635 160 C CB 1.279 28.728 27.740 -0.485 0.000 2.206 160 C HN 0.647 nan 8.230 nan 0.000 0.485 161 L N 3.027 124.177 121.223 -0.121 0.000 2.622 161 L HA 0.075 4.415 4.340 -0.000 0.000 0.233 161 L C 1.806 178.572 176.870 -0.173 0.000 1.156 161 L CA 1.483 56.168 54.840 -0.259 0.000 0.866 161 L CB -0.589 41.054 42.059 -0.694 0.000 0.980 161 L HN 0.858 nan 8.230 nan 0.000 0.448 162 D N -1.378 119.026 120.400 0.007 0.000 2.324 162 D HA -0.083 4.557 4.640 -0.000 0.000 0.235 162 D C 0.700 177.029 176.300 0.048 0.000 1.095 162 D CA -0.158 53.898 54.000 0.093 0.000 0.871 162 D CB -0.203 40.700 40.800 0.172 0.000 0.906 162 D HN 0.232 nan 8.370 nan 0.000 0.522 163 R N -2.134 118.371 120.500 0.008 0.000 3.776 163 R HA -0.119 4.221 4.340 -0.000 0.000 0.312 163 R C -0.499 175.795 176.300 -0.010 0.000 1.181 163 R CA 1.087 57.188 56.100 0.002 0.000 0.836 163 R CB -2.810 27.495 30.300 0.010 0.000 1.324 163 R HN 0.222 nan 8.270 nan 0.000 0.501 164 T N -0.376 114.184 114.554 0.010 0.000 2.907 164 T HA 0.638 4.988 4.350 -0.000 0.000 0.292 164 T C -0.713 174.001 174.700 0.023 0.000 1.043 164 T CA -0.550 61.554 62.100 0.005 0.000 1.003 164 T CB 2.636 71.546 68.868 0.070 0.000 1.084 164 T HN -0.036 nan 8.240 nan 0.000 0.483 165 V N 3.233 123.118 119.914 -0.049 0.000 2.483 165 V HA 0.494 4.614 4.120 -0.000 0.000 0.297 165 V C -0.463 175.576 176.094 -0.092 0.000 1.027 165 V CA -0.784 61.486 62.300 -0.049 0.000 0.855 165 V CB 1.805 33.530 31.823 -0.164 0.000 0.995 165 V HN 0.700 nan 8.190 nan 0.000 0.424 166 K N 3.422 123.780 120.400 -0.071 0.000 2.221 166 K HA 0.770 5.090 4.320 -0.000 0.000 0.258 166 K C -1.262 174.953 176.600 -0.642 0.000 0.944 166 K CA -0.689 55.311 56.287 -0.479 0.000 0.823 166 K CB 2.536 34.596 32.500 -0.732 0.000 1.113 166 K HN 0.415 nan 8.250 nan 0.000 0.431 167 V N 3.444 122.720 119.914 -1.063 0.000 2.417 167 V HA 0.449 4.569 4.120 -0.000 0.000 0.291 167 V C -1.180 174.325 176.094 -0.981 0.000 1.024 167 V CA -0.717 61.006 62.300 -0.962 0.000 0.861 167 V CB 0.509 31.613 31.823 -1.199 0.000 0.985 167 V HN 0.687 nan 8.190 nan 0.000 0.436 168 W N 1.950 122.712 121.300 -0.897 0.000 2.929 168 W HA 0.772 5.432 4.660 -0.000 0.000 0.345 168 W C -0.056 176.168 176.519 -0.491 0.000 1.151 168 W CA -1.080 55.855 57.345 -0.683 0.000 1.111 168 W CB 1.287 30.255 29.460 -0.820 0.000 1.449 168 W HN 0.476 nan 8.180 nan 0.000 0.572 169 S N 0.700 116.453 115.700 0.088 0.000 2.561 169 S HA 0.557 5.027 4.470 -0.000 0.000 0.303 169 S C -0.938 173.827 174.600 0.274 0.000 1.110 169 S CA -0.764 57.522 58.200 0.143 0.000 1.034 169 S CB 0.907 64.170 63.200 0.105 0.000 1.010 169 S HN 0.357 nan 8.310 nan 0.000 0.482 170 L N 3.117 124.533 121.223 0.323 0.000 2.747 170 L HA 0.258 4.598 4.340 -0.000 0.000 0.286 170 L C 1.602 178.598 176.870 0.210 0.000 1.216 170 L CA 2.364 57.400 54.840 0.327 0.000 0.930 170 L CB -0.944 41.238 42.059 0.206 0.000 1.216 170 L HN 1.290 nan 8.230 nan 0.000 0.486 171 G N 1.357 110.263 108.800 0.177 0.000 2.253 171 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.209 171 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.209 171 G C 0.255 175.199 174.900 0.074 0.000 0.997 171 G CA -0.462 44.680 45.100 0.070 0.000 0.640 171 G HN 0.483 nan 8.290 nan 0.000 0.496 172 Q N 0.602 120.506 119.800 0.172 0.000 2.235 172 Q HA 0.657 4.997 4.340 -0.000 0.000 0.256 172 Q C 1.244 177.357 176.000 0.188 0.000 0.951 172 Q CA 0.213 56.115 55.803 0.165 0.000 0.890 172 Q CB 1.593 30.448 28.738 0.195 0.000 1.279 172 Q HN 0.516 nan 8.270 nan 0.000 0.444 173 S N -0.857 114.916 115.700 0.123 0.000 2.503 173 S HA 0.046 4.516 4.470 -0.000 0.000 0.217 173 S C 0.817 175.604 174.600 0.312 0.000 0.999 173 S CA 0.194 58.457 58.200 0.104 0.000 0.914 173 S CB 0.043 63.251 63.200 0.012 0.000 0.782 173 S HN 0.657 nan 8.310 nan 0.000 0.520 174 T N 0.916 115.637 114.554 0.279 0.000 2.885 174 T HA 0.646 4.996 4.350 -0.000 0.000 0.285 174 T C -3.212 171.532 174.700 0.072 0.000 1.019 174 T CA -2.320 59.891 62.100 0.186 0.000 1.010 174 T CB 1.877 70.769 68.868 0.039 0.000 1.022 174 T HN -0.029 nan 8.240 nan 0.000 0.466 175 P HA 0.229 nan 4.420 nan 0.000 0.272 175 P C 0.192 177.234 177.300 -0.430 0.000 1.230 175 P CA -0.342 62.273 63.100 -0.807 0.000 0.788 175 P CB 0.890 31.628 31.700 -1.604 0.000 0.949 176 N N 0.024 118.463 118.700 -0.435 0.000 2.244 176 N HA -0.028 4.712 4.740 -0.000 0.000 0.183 176 N C 0.149 175.607 175.510 -0.086 0.000 1.016 176 N CA 0.935 53.861 53.050 -0.208 0.000 0.866 176 N CB -0.254 38.129 38.487 -0.173 0.000 0.980 176 N HN 0.516 nan 8.380 nan 0.000 0.430 177 F N -3.225 116.563 119.950 -0.270 0.000 2.799 177 F HA 0.434 4.961 4.527 -0.000 0.000 0.316 177 F C -1.758 173.853 175.800 -0.314 0.000 1.155 177 F CA -1.259 56.602 58.000 -0.230 0.000 0.916 177 F CB 1.006 39.924 39.000 -0.137 0.000 1.294 177 F HN -0.434 nan 8.300 nan 0.000 0.447 178 T N 2.997 117.601 114.554 0.083 0.000 2.840 178 T HA 0.600 4.950 4.350 -0.000 0.000 0.287 178 T C -1.506 173.225 174.700 0.052 0.000 0.991 178 T CA -0.358 61.705 62.100 -0.063 0.000 0.964 178 T CB 1.410 70.185 68.868 -0.156 0.000 0.954 178 T HN 0.821 nan 8.240 nan 0.000 0.438 179 L N 4.702 125.931 121.223 0.010 0.000 2.272 179 L HA 0.587 4.927 4.340 -0.000 0.000 0.289 179 L C 0.410 177.136 176.870 -0.239 0.000 1.032 179 L CA -0.149 54.611 54.840 -0.132 0.000 0.810 179 L CB 1.009 42.942 42.059 -0.211 0.000 1.205 179 L HN 0.742 nan 8.230 nan 0.000 0.422 180 T N 0.022 114.451 114.554 -0.207 0.000 2.817 180 T HA 0.291 4.641 4.350 -0.000 0.000 0.293 180 T C 1.141 175.694 174.700 -0.246 0.000 0.964 180 T CA 0.024 62.028 62.100 -0.160 0.000 1.085 180 T CB 0.931 69.759 68.868 -0.066 0.000 0.921 180 T HN 0.769 nan 8.240 nan 0.000 0.502 181 T N -0.814 113.629 114.554 -0.186 0.000 3.054 181 T HA 0.326 4.676 4.350 -0.000 0.000 0.259 181 T C 1.943 176.796 174.700 0.256 0.000 1.092 181 T CA 0.507 62.585 62.100 -0.036 0.000 1.121 181 T CB -0.620 68.269 68.868 0.036 0.000 0.912 181 T HN 1.633 nan 8.240 nan 0.000 0.489 182 G N 1.449 110.321 108.800 0.119 0.000 2.162 182 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.260 182 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.260 182 G C -0.058 174.895 174.900 0.088 0.000 0.976 182 G CA 0.160 45.326 45.100 0.109 0.000 0.655 182 G HN 0.663 nan 8.290 nan 0.000 0.533 183 Q N 0.759 120.614 119.800 0.091 0.000 2.503 183 Q HA 0.301 4.641 4.340 -0.000 0.000 0.227 183 Q C 1.400 177.422 176.000 0.036 0.000 1.109 183 Q CA -0.309 55.532 55.803 0.064 0.000 0.922 183 Q CB 0.519 29.305 28.738 0.080 0.000 1.249 183 Q HN 0.592 nan 8.270 nan 0.000 0.530 184 E N 1.635 121.852 120.200 0.027 0.000 2.236 184 E HA -0.286 4.064 4.350 -0.000 0.000 0.205 184 E C 0.875 177.480 176.600 0.009 0.000 1.028 184 E CA 1.373 57.784 56.400 0.017 0.000 0.827 184 E CB -0.066 29.642 29.700 0.015 0.000 0.735 184 E HN 0.470 nan 8.360 nan 0.000 0.470 185 R N 0.758 121.262 120.500 0.006 0.000 2.317 185 R HA 0.187 4.527 4.340 -0.000 0.000 0.208 185 R C 0.828 177.111 176.300 -0.028 0.000 0.914 185 R CA 0.626 56.721 56.100 -0.007 0.000 1.060 185 R CB 0.565 30.864 30.300 -0.000 0.000 1.015 185 R HN 0.243 nan 8.270 nan 0.000 0.498 186 G N 0.290 109.080 108.800 -0.018 0.000 2.603 186 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.686 186 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.686 186 G C -0.865 174.033 174.900 -0.004 0.000 1.286 186 G CA -0.950 44.129 45.100 -0.035 0.000 0.871 186 G HN -0.015 nan 8.290 nan 0.000 0.568 187 V N 1.724 121.635 119.914 -0.004 0.000 2.350 187 V HA 0.346 4.466 4.120 -0.000 0.000 0.276 187 V C 0.839 176.964 176.094 0.052 0.000 1.028 187 V CA -0.565 61.754 62.300 0.030 0.000 0.860 187 V CB 1.516 33.347 31.823 0.013 0.000 0.990 187 V HN 0.707 nan 8.190 nan 0.000 0.453 188 N N 2.753 121.514 118.700 0.103 0.000 2.395 188 N HA 0.066 4.806 4.740 -0.000 0.000 0.175 188 N C -0.278 175.402 175.510 0.284 0.000 1.029 188 N CA 0.862 54.010 53.050 0.164 0.000 0.897 188 N CB 0.305 38.890 38.487 0.162 0.000 0.991 188 N HN 0.684 nan 8.380 nan 0.000 0.441 189 Y N -1.076 119.268 120.300 0.074 0.000 2.597 189 Y HA 0.526 5.076 4.550 0.000 0.000 0.340 189 Y C -1.253 174.698 175.900 0.085 0.000 1.097 189 Y CA -1.025 57.135 58.100 0.100 0.000 1.037 189 Y CB 1.832 40.383 38.460 0.152 0.000 1.305 189 Y HN -0.311 nan 8.280 nan 0.000 0.463 190 V N 3.176 123.013 119.914 -0.128 0.000 2.891 190 V HA 0.618 4.738 4.120 -0.000 0.000 0.304 190 V C -2.158 173.912 176.094 -0.040 0.000 1.171 190 V CA -0.240 62.043 62.300 -0.028 0.000 0.943 190 V CB 2.133 33.912 31.823 -0.072 0.000 1.037 190 V HN 0.871 nan 8.190 nan 0.000 0.427 191 D N 3.527 123.998 120.400 0.119 0.000 2.859 191 D HA 0.487 5.127 4.640 -0.000 0.000 0.223 191 D C -1.761 174.765 176.300 0.376 0.000 1.218 191 D CA -0.226 53.932 54.000 0.264 0.000 0.850 191 D CB 1.806 42.843 40.800 0.395 0.000 1.656 191 D HN 0.469 nan 8.370 nan 0.000 0.484 192 Y N 1.716 122.279 120.300 0.438 0.000 2.310 192 Y HA 0.251 4.801 4.550 -0.000 0.000 0.326 192 Y C -0.274 175.903 175.900 0.461 0.000 1.151 192 Y CA -0.601 57.773 58.100 0.456 0.000 1.195 192 Y CB 1.019 39.648 38.460 0.281 0.000 1.210 192 Y HN 0.375 nan 8.280 nan 0.000 0.483 193 Y N 6.599 127.001 120.300 0.170 0.000 2.531 193 Y HA 0.171 4.721 4.550 -0.000 0.000 0.347 193 Y C -1.451 174.438 175.900 -0.019 0.000 1.024 193 Y CA -2.190 55.598 58.100 -0.520 0.000 1.306 193 Y CB 0.985 38.803 38.460 -1.071 0.000 1.149 193 Y HN 0.464 nan 8.280 nan 0.000 0.527 194 P HA -0.175 nan 4.420 nan 0.000 0.222 194 P C -0.143 176.915 177.300 -0.404 0.000 1.147 194 P CA 1.125 64.082 63.100 -0.238 0.000 0.790 194 P CB 0.462 32.110 31.700 -0.087 0.000 0.780 195 L N 1.413 122.090 121.223 -0.910 0.000 2.399 195 L HA 0.246 4.586 4.340 -0.000 0.000 0.266 195 L C -0.789 175.884 176.870 -0.328 0.000 1.114 195 L CA -2.177 52.314 54.840 -0.583 0.000 0.804 195 L CB 0.832 42.575 42.059 -0.527 0.000 1.146 195 L HN -0.215 nan 8.230 nan 0.000 0.451 196 P HA -0.136 nan 4.420 nan 0.000 0.229 196 P C 0.548 177.870 177.300 0.037 0.000 1.160 196 P CA 0.922 64.020 63.100 -0.004 0.000 0.777 196 P CB -0.008 31.697 31.700 0.007 0.000 0.814 197 D N -0.755 119.689 120.400 0.074 0.000 2.363 197 D HA -0.027 4.613 4.640 -0.000 0.000 0.226 197 D C 0.224 176.515 176.300 -0.015 0.000 1.020 197 D CA 0.567 54.598 54.000 0.051 0.000 0.892 197 D CB -0.159 40.681 40.800 0.066 0.000 0.900 197 D HN 0.091 nan 8.370 nan 0.000 0.531 198 K N -0.306 120.103 120.400 0.015 0.000 2.561 198 K HA 0.286 4.606 4.320 -0.000 0.000 0.254 198 K C -2.802 173.689 176.600 -0.180 0.000 0.942 198 K CA -1.581 54.518 56.287 -0.314 0.000 0.818 198 K CB 2.853 34.798 32.500 -0.925 0.000 1.306 198 K HN -0.200 nan 8.250 nan 0.000 0.435 199 P HA 0.162 nan 4.420 nan 0.000 0.219 199 P C -1.208 175.987 177.300 -0.175 0.000 1.847 199 P CA -0.280 62.641 63.100 -0.299 0.000 1.059 199 P CB 0.044 31.364 31.700 -0.633 0.000 1.900 200 Y N 1.244 121.627 120.300 0.139 0.000 2.457 200 Y HA 0.560 5.110 4.550 -0.000 0.000 0.333 200 Y C 0.963 177.174 175.900 0.517 0.000 1.119 200 Y CA -1.680 56.561 58.100 0.235 0.000 1.143 200 Y CB 1.602 40.106 38.460 0.073 0.000 1.230 200 Y HN 0.137 nan 8.280 nan 0.000 0.469 201 M N 3.128 123.139 119.600 0.686 0.000 2.658 201 M HA 0.588 5.068 4.480 -0.000 0.000 0.295 201 M C -1.478 175.154 176.300 0.553 0.000 1.248 201 M CA -0.868 54.753 55.300 0.534 0.000 0.843 201 M CB 3.533 36.321 32.600 0.313 0.000 1.749 201 M HN 0.613 nan 8.290 nan 0.000 0.464 202 I N 1.153 121.964 120.570 0.402 0.000 2.656 202 I HA 0.562 4.732 4.170 -0.000 0.000 0.292 202 I C -1.125 175.123 176.117 0.217 0.000 1.144 202 I CA -0.156 61.277 61.300 0.221 0.000 1.038 202 I CB 2.286 40.200 38.000 -0.144 0.000 1.244 202 I HN 0.832 nan 8.210 nan 0.000 0.420 203 T N 3.663 118.365 114.554 0.247 0.000 2.863 203 T HA 0.890 5.240 4.350 -0.000 0.000 0.285 203 T C -0.618 174.164 174.700 0.138 0.000 1.009 203 T CA -0.714 61.516 62.100 0.217 0.000 0.989 203 T CB 1.885 70.914 68.868 0.267 0.000 1.004 203 T HN 0.741 nan 8.240 nan 0.000 0.455 204 A N 1.542 124.444 122.820 0.137 0.000 2.350 204 A HA 0.890 5.210 4.320 -0.000 0.000 0.324 204 A C -0.017 177.604 177.584 0.063 0.000 1.118 204 A CA -0.793 51.283 52.037 0.065 0.000 0.783 204 A CB 1.746 20.771 19.000 0.042 0.000 1.236 204 A HN 1.109 nan 8.150 nan 0.000 0.457 205 S N -0.178 115.533 115.700 0.019 0.000 2.661 205 S HA 0.486 4.956 4.470 -0.000 0.000 0.285 205 S C -0.402 174.195 174.600 -0.006 0.000 1.138 205 S CA -0.416 57.796 58.200 0.020 0.000 0.855 205 S CB 1.517 64.734 63.200 0.029 0.000 1.136 205 S HN 0.553 nan 8.310 nan 0.000 0.484 206 D N 1.108 121.511 120.400 0.004 0.000 2.363 206 D HA 0.036 4.676 4.640 -0.000 0.000 0.220 206 D C 0.972 177.270 176.300 -0.003 0.000 0.994 206 D CA 0.710 54.709 54.000 -0.002 0.000 0.890 206 D CB -0.031 40.778 40.800 0.015 0.000 0.906 206 D HN 0.678 nan 8.370 nan 0.000 0.530 207 D N 0.307 120.708 120.400 0.002 0.000 2.336 207 D HA -0.096 4.544 4.640 -0.000 0.000 0.229 207 D C 1.241 177.542 176.300 0.003 0.000 1.061 207 D CA 0.080 54.083 54.000 0.004 0.000 0.875 207 D CB -0.228 40.577 40.800 0.009 0.000 0.904 207 D HN 0.229 nan 8.370 nan 0.000 0.525 208 L N -1.605 119.617 121.223 -0.002 0.000 4.892 208 L HA -0.201 4.139 4.340 -0.000 0.000 0.403 208 L C 0.471 177.354 176.870 0.022 0.000 0.913 208 L CA 0.936 55.786 54.840 0.015 0.000 1.653 208 L CB -2.689 39.388 42.059 0.029 0.000 1.780 208 L HN 0.395 nan 8.230 nan 0.000 0.597 209 T N -1.176 113.373 114.554 -0.009 0.000 2.944 209 T HA 0.805 5.155 4.350 -0.000 0.000 0.284 209 T C -0.219 174.438 174.700 -0.072 0.000 1.010 209 T CA -0.639 61.434 62.100 -0.044 0.000 1.025 209 T CB 2.765 71.600 68.868 -0.055 0.000 1.079 209 T HN 0.186 nan 8.240 nan 0.000 0.516 210 I N 1.211 121.685 120.570 -0.161 0.000 2.468 210 I HA 0.393 4.563 4.170 -0.000 0.000 0.285 210 I C -0.388 175.556 176.117 -0.288 0.000 1.039 210 I CA -0.831 60.342 61.300 -0.211 0.000 1.074 210 I CB 2.015 39.803 38.000 -0.353 0.000 1.228 210 I HN 0.559 nan 8.210 nan 0.000 0.436 211 K N 6.700 126.966 120.400 -0.223 0.000 2.292 211 K HA 0.599 4.919 4.320 -0.000 0.000 0.257 211 K C -0.962 175.292 176.600 -0.576 0.000 0.940 211 K CA -0.867 55.145 56.287 -0.459 0.000 0.811 211 K CB 2.514 34.726 32.500 -0.479 0.000 1.120 211 K HN 0.347 nan 8.250 nan 0.000 0.428 212 I N 2.260 122.384 120.570 -0.743 0.000 2.396 212 I HA 0.329 4.499 4.170 -0.000 0.000 0.292 212 I C -0.455 175.189 176.117 -0.788 0.000 0.999 212 I CA -0.646 60.314 61.300 -0.566 0.000 1.310 212 I CB 0.125 37.769 38.000 -0.593 0.000 1.404 212 I HN 0.534 nan 8.210 nan 0.000 0.496 213 W N 3.148 124.346 121.300 -0.170 0.000 2.882 213 W HA 0.406 5.066 4.660 0.000 0.000 0.345 213 W C -0.489 175.965 176.519 -0.107 0.000 1.125 213 W CA -0.642 56.620 57.345 -0.138 0.000 1.167 213 W CB 0.942 30.397 29.460 -0.007 0.000 1.431 213 W HN 0.417 nan 8.180 nan 0.000 0.543 214 D N 0.524 121.026 120.400 0.170 0.000 2.427 214 D HA 0.133 4.773 4.640 -0.000 0.000 0.226 214 D C 0.346 176.717 176.300 0.119 0.000 1.076 214 D CA -0.716 53.377 54.000 0.156 0.000 0.849 214 D CB 0.498 41.372 40.800 0.123 0.000 1.052 214 D HN 0.399 nan 8.370 nan 0.000 0.515 215 Y N 1.629 122.060 120.300 0.218 0.000 2.680 215 Y HA 0.031 4.581 4.550 -0.000 0.000 0.303 215 Y C 1.452 177.277 175.900 -0.125 0.000 1.166 215 Y CA 0.255 58.392 58.100 0.063 0.000 1.344 215 Y CB -0.444 38.188 38.460 0.286 0.000 1.002 215 Y HN 0.371 nan 8.280 nan 0.000 0.537 216 Q N 0.649 120.393 119.800 -0.092 0.000 2.134 216 Q HA -0.045 4.295 4.340 -0.000 0.000 0.195 216 Q C 1.979 177.921 176.000 -0.096 0.000 0.958 216 Q CA 1.671 57.433 55.803 -0.069 0.000 0.840 216 Q CB -0.040 28.657 28.738 -0.068 0.000 0.918 216 Q HN 0.648 nan 8.270 nan 0.000 0.467 217 T N -1.850 112.666 114.554 -0.063 0.000 3.107 217 T HA 0.089 4.439 4.350 -0.000 0.000 0.249 217 T C 0.392 175.063 174.700 -0.048 0.000 1.096 217 T CA -0.203 61.869 62.100 -0.047 0.000 1.012 217 T CB 0.252 69.112 68.868 -0.014 0.000 0.977 217 T HN 0.052 nan 8.240 nan 0.000 0.527 218 K N 0.541 120.902 120.400 -0.065 0.000 3.088 218 K HA -0.130 4.190 4.320 -0.000 0.000 0.273 218 K C -0.224 176.456 176.600 0.134 0.000 1.111 218 K CA 0.525 56.788 56.287 -0.040 0.000 0.803 218 K CB -2.928 29.483 32.500 -0.149 0.000 1.226 218 K HN 0.541 nan 8.250 nan 0.000 0.485 219 S N 0.028 115.817 115.700 0.149 0.000 2.608 219 S HA 0.359 4.829 4.470 -0.000 0.000 0.291 219 S C 0.014 174.678 174.600 0.107 0.000 1.146 219 S CA -0.719 57.566 58.200 0.141 0.000 1.043 219 S CB 2.243 65.457 63.200 0.024 0.000 1.037 219 S HN 0.419 nan 8.310 nan 0.000 0.520 220 C N 3.763 122.988 119.300 -0.124 0.000 2.373 220 C HA 0.380 4.840 4.460 -0.000 0.000 0.354 220 C C 1.698 176.399 174.990 -0.482 0.000 1.249 220 C CA -0.449 58.179 59.018 -0.650 0.000 1.784 220 C CB -1.605 25.620 27.740 -0.858 0.000 2.408 220 C HN 0.726 nan 8.230 nan 0.000 0.542 221 V N 5.598 125.174 119.914 -0.563 0.000 2.488 221 V HA 0.190 4.310 4.120 -0.000 0.000 0.246 221 V C 1.284 177.047 176.094 -0.552 0.000 1.046 221 V CA 1.790 63.792 62.300 -0.497 0.000 1.053 221 V CB -0.825 30.592 31.823 -0.678 0.000 0.679 221 V HN 1.106 nan 8.190 nan 0.000 0.458 222 A N -1.541 120.850 122.820 -0.715 0.000 2.586 222 A HA 0.664 4.984 4.320 -0.000 0.000 0.291 222 A C -0.704 176.497 177.584 -0.639 0.000 1.062 222 A CA -0.338 51.282 52.037 -0.696 0.000 0.666 222 A CB 1.349 19.675 19.000 -1.123 0.000 1.281 222 A HN 0.015 nan 8.150 nan 0.000 0.421 223 T N 1.782 116.054 114.554 -0.471 0.000 2.840 223 T HA 0.559 4.909 4.350 -0.000 0.000 0.287 223 T C -0.772 173.722 174.700 -0.345 0.000 0.991 223 T CA -0.232 61.632 62.100 -0.393 0.000 0.964 223 T CB 0.627 69.325 68.868 -0.283 0.000 0.954 223 T HN 0.480 nan 8.240 nan 0.000 0.438 224 L N 3.727 124.689 121.223 -0.435 0.000 2.255 224 L HA 0.508 4.848 4.340 -0.000 0.000 0.289 224 L C 0.485 177.146 176.870 -0.349 0.000 1.046 224 L CA -0.584 53.918 54.840 -0.564 0.000 0.816 224 L CB 0.715 42.020 42.059 -1.257 0.000 1.197 224 L HN 0.526 nan 8.230 nan 0.000 0.427 225 E N 1.791 121.928 120.200 -0.105 0.000 2.221 225 E HA 0.657 5.007 4.350 -0.000 0.000 0.268 225 E C 0.412 177.124 176.600 0.187 0.000 0.933 225 E CA -0.267 56.148 56.400 0.025 0.000 0.809 225 E CB 2.610 32.314 29.700 0.008 0.000 1.190 225 E HN 0.765 nan 8.360 nan 0.000 0.406 226 G N 1.283 110.173 108.800 0.150 0.000 3.511 226 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.218 226 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.218 226 G C -0.010 174.909 174.900 0.033 0.000 1.001 226 G CA -0.586 44.574 45.100 0.100 0.000 0.877 226 G HN 0.499 nan 8.290 nan 0.000 0.450 227 H N 1.311 120.462 119.070 0.135 0.000 2.815 227 H HA 0.327 4.883 4.556 -0.000 0.000 0.350 227 H C 1.359 176.694 175.328 0.013 0.000 1.080 227 H CA 0.320 56.401 56.048 0.055 0.000 1.433 227 H CB 1.173 30.957 29.762 0.037 0.000 1.432 227 H HN 0.054 nan 8.280 nan 0.000 0.592 228 M N 0.782 120.463 119.600 0.135 0.000 2.510 228 M HA 0.070 4.550 4.480 -0.000 0.000 0.256 228 M C 0.534 176.851 176.300 0.027 0.000 1.132 228 M CA 0.518 55.852 55.300 0.057 0.000 1.105 228 M CB 0.138 32.757 32.600 0.032 0.000 1.375 228 M HN 0.235 nan 8.290 nan 0.000 0.477 229 S N -0.065 115.639 115.700 0.007 0.000 2.732 229 S HA 0.441 4.911 4.470 -0.000 0.000 0.293 229 S C -0.344 174.203 174.600 -0.089 0.000 1.159 229 S CA -0.840 57.334 58.200 -0.043 0.000 0.847 229 S CB 1.351 64.507 63.200 -0.074 0.000 1.169 229 S HN 0.229 nan 8.310 nan 0.000 0.501 230 N N 1.422 120.065 118.700 -0.095 0.000 2.219 230 N HA 0.004 4.744 4.740 -0.000 0.000 0.263 230 N C -0.701 174.677 175.510 -0.220 0.000 1.269 230 N CA 0.309 53.294 53.050 -0.109 0.000 0.831 230 N CB -0.008 38.443 38.487 -0.061 0.000 1.059 230 N HN 0.281 nan 8.380 nan 0.000 0.475 231 V N 2.051 121.837 119.914 -0.212 0.000 2.408 231 V HA 0.060 4.180 4.120 -0.000 0.000 0.267 231 V C 1.281 177.208 176.094 -0.280 0.000 1.047 231 V CA -0.214 61.873 62.300 -0.354 0.000 0.937 231 V CB 1.099 32.765 31.823 -0.261 0.000 0.999 231 V HN 0.677 nan 8.190 nan 0.000 0.472 232 S N 4.425 119.875 115.700 -0.416 0.000 2.414 232 S HA 0.191 4.661 4.470 -0.000 0.000 0.227 232 S C 0.167 174.674 174.600 -0.155 0.000 1.022 232 S CA 0.895 58.969 58.200 -0.210 0.000 0.958 232 S CB -0.059 63.038 63.200 -0.172 0.000 0.797 232 S HN 0.811 nan 8.310 nan 0.000 0.493 233 F N -1.667 118.119 119.950 -0.273 0.000 2.807 233 F HA 0.794 5.321 4.527 -0.000 0.000 0.316 233 F C -1.425 174.243 175.800 -0.219 0.000 1.162 233 F CA -1.799 55.921 58.000 -0.466 0.000 0.910 233 F CB 0.822 39.244 39.000 -0.964 0.000 1.314 233 F HN -0.111 nan 8.300 nan 0.000 0.454 234 A N 1.232 124.176 122.820 0.207 0.000 2.532 234 A HA 0.779 5.099 4.320 -0.000 0.000 0.296 234 A C -1.594 176.132 177.584 0.237 0.000 1.058 234 A CA -0.179 51.979 52.037 0.201 0.000 0.729 234 A CB 1.049 20.059 19.000 0.017 0.000 1.285 234 A HN 2.307 nan 8.150 nan 0.000 0.396 235 V N -1.063 118.977 119.914 0.211 0.000 3.159 235 V HA 0.895 5.015 4.120 -0.000 0.000 0.308 235 V C -0.935 175.248 176.094 0.147 0.000 1.190 235 V CA -1.242 61.181 62.300 0.207 0.000 1.037 235 V CB 1.637 33.641 31.823 0.302 0.000 1.060 235 V HN 0.747 nan 8.190 nan 0.000 0.437 236 F N 1.731 121.883 119.950 0.338 0.000 2.394 236 F HA 0.492 5.019 4.527 -0.000 0.000 0.340 236 F C 0.788 176.781 175.800 0.322 0.000 1.105 236 F CA -0.194 58.025 58.000 0.365 0.000 1.124 236 F CB 0.734 40.011 39.000 0.461 0.000 1.145 236 F HN 0.759 nan 8.300 nan 0.000 0.505 237 H N 5.631 124.955 119.070 0.423 0.000 2.707 237 H HA 0.102 4.658 4.556 -0.000 0.000 0.359 237 H C -1.615 173.874 175.328 0.268 0.000 1.113 237 H CA -1.609 54.613 56.048 0.290 0.000 1.422 237 H CB 1.818 31.708 29.762 0.214 0.000 1.443 237 H HN 0.350 nan 8.280 nan 0.000 0.591 238 P HA -0.049 nan 4.420 nan 0.000 0.223 238 P C 0.634 178.076 177.300 0.236 0.000 1.151 238 P CA 0.938 64.097 63.100 0.099 0.000 0.787 238 P CB 0.744 32.432 31.700 -0.020 0.000 0.788 239 T N -0.943 113.923 114.554 0.521 0.000 3.272 239 T HA 0.159 4.509 4.350 -0.000 0.000 0.247 239 T C 0.421 175.287 174.700 0.276 0.000 0.990 239 T CA -0.234 62.083 62.100 0.362 0.000 1.213 239 T CB -0.470 68.589 68.868 0.317 0.000 1.124 239 T HN -0.127 nan 8.240 nan 0.000 0.401 240 L N 2.999 124.287 121.223 0.108 0.000 2.485 240 L HA 0.248 4.588 4.340 -0.000 0.000 0.275 240 L C -2.184 174.689 176.870 0.005 0.000 1.207 240 L CA -2.006 52.749 54.840 -0.143 0.000 0.855 240 L CB -0.410 41.370 42.059 -0.466 0.000 1.114 240 L HN 0.042 nan 8.230 nan 0.000 0.485 241 P HA 0.177 nan 4.420 nan 0.000 0.238 241 P C -0.675 176.643 177.300 0.030 0.000 1.714 241 P CA 0.272 63.380 63.100 0.013 0.000 0.908 241 P CB -0.356 31.302 31.700 -0.070 0.000 1.893 242 I N -3.812 116.836 120.570 0.130 0.000 3.074 242 I HA 0.571 4.741 4.170 -0.000 0.000 0.310 242 I C -0.857 175.453 176.117 0.322 0.000 1.153 242 I CA -1.767 59.639 61.300 0.177 0.000 0.993 242 I CB 2.387 40.433 38.000 0.078 0.000 1.237 242 I HN -0.322 nan 8.210 nan 0.000 0.443 243 I N 3.962 124.728 120.570 0.327 0.000 2.474 243 I HA 0.464 4.634 4.170 -0.000 0.000 0.294 243 I C -0.676 175.689 176.117 0.414 0.000 1.005 243 I CA -0.820 60.663 61.300 0.305 0.000 1.113 243 I CB 2.051 40.151 38.000 0.167 0.000 1.289 243 I HN 0.335 nan 8.210 nan 0.000 0.436 244 I N 4.563 125.351 120.570 0.364 0.000 2.433 244 I HA 0.452 4.622 4.170 -0.000 0.000 0.292 244 I C 0.002 176.389 176.117 0.451 0.000 1.001 244 I CA -0.334 61.213 61.300 0.411 0.000 1.119 244 I CB 1.517 39.744 38.000 0.378 0.000 1.289 244 I HN 0.600 nan 8.210 nan 0.000 0.438 245 S N 3.516 119.488 115.700 0.454 0.000 2.599 245 S HA 0.970 5.440 4.470 -0.000 0.000 0.287 245 S C -0.459 174.055 174.600 -0.144 0.000 1.105 245 S CA -0.762 57.550 58.200 0.188 0.000 0.899 245 S CB 2.609 66.071 63.200 0.437 0.000 1.100 245 S HN 0.941 nan 8.310 nan 0.000 0.482 246 G N -0.196 107.927 108.800 -1.129 0.000 2.682 246 G HA2 0.655 4.615 3.960 -0.000 0.000 0.300 246 G HA3 0.655 4.615 3.960 -0.000 0.000 0.300 246 G C -1.147 173.135 174.900 -1.031 0.000 1.391 246 G CA -0.449 44.034 45.100 -1.028 0.000 0.990 246 G HN 1.130 nan 8.290 nan 0.000 0.501 247 S N -0.005 115.281 115.700 -0.690 0.000 2.618 247 S HA 0.410 4.880 4.470 -0.000 0.000 0.277 247 S C 0.515 174.836 174.600 -0.464 0.000 1.138 247 S CA -0.499 57.323 58.200 -0.630 0.000 0.844 247 S CB 1.815 64.573 63.200 -0.736 0.000 1.127 247 S HN 0.564 nan 8.310 nan 0.000 0.474 248 E N 0.585 120.513 120.200 -0.454 0.000 2.515 248 E HA -0.089 4.261 4.350 -0.000 0.000 0.201 248 E C 0.232 176.692 176.600 -0.234 0.000 1.071 248 E CA 0.860 56.998 56.400 -0.437 0.000 0.880 248 E CB -0.226 29.249 29.700 -0.375 0.000 0.828 248 E HN 0.703 nan 8.360 nan 0.000 0.540 249 D N -0.174 120.126 120.400 -0.167 0.000 2.352 249 D HA -0.000 4.640 4.640 -0.000 0.000 0.232 249 D C 1.211 177.483 176.300 -0.047 0.000 1.055 249 D CA 0.583 54.541 54.000 -0.069 0.000 0.891 249 D CB -0.155 40.643 40.800 -0.003 0.000 0.897 249 D HN 0.132 nan 8.370 nan 0.000 0.529 250 G N -0.795 107.961 108.800 -0.074 0.000 2.160 250 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.251 250 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.251 250 G C 0.157 175.097 174.900 0.067 0.000 1.008 250 G CA 0.507 45.611 45.100 0.006 0.000 0.724 250 G HN 0.496 nan 8.290 nan 0.000 0.514 251 T N 0.355 114.940 114.554 0.052 0.000 2.856 251 T HA 0.660 5.010 4.350 -0.000 0.000 0.283 251 T C 0.101 174.892 174.700 0.151 0.000 1.008 251 T CA -0.473 61.692 62.100 0.108 0.000 0.997 251 T CB 1.836 70.778 68.868 0.124 0.000 0.992 251 T HN 0.282 nan 8.240 nan 0.000 0.454 252 L N 3.283 124.608 121.223 0.170 0.000 2.313 252 L HA 0.564 4.904 4.340 -0.000 0.000 0.283 252 L C 0.068 177.003 176.870 0.108 0.000 1.013 252 L CA -0.694 54.261 54.840 0.193 0.000 0.816 252 L CB 1.387 43.597 42.059 0.252 0.000 1.236 252 L HN 0.383 nan 8.230 nan 0.000 0.419 253 K N 4.358 124.824 120.400 0.110 0.000 2.316 253 K HA 0.656 4.976 4.320 -0.000 0.000 0.251 253 K C -1.144 175.352 176.600 -0.172 0.000 0.934 253 K CA -0.682 55.498 56.287 -0.178 0.000 0.802 253 K CB 2.906 35.123 32.500 -0.473 0.000 1.171 253 K HN 0.440 nan 8.250 nan 0.000 0.426 254 I N 2.416 122.783 120.570 -0.338 0.000 2.406 254 I HA 0.375 4.545 4.170 -0.000 0.000 0.290 254 I C -1.130 174.811 176.117 -0.293 0.000 0.999 254 I CA -0.809 60.408 61.300 -0.138 0.000 1.124 254 I CB 0.969 38.941 38.000 -0.046 0.000 1.289 254 I HN 0.448 nan 8.210 nan 0.000 0.441 255 W N 3.853 125.172 121.300 0.033 0.000 2.706 255 W HA 0.392 5.052 4.660 0.000 0.000 0.346 255 W C 0.037 176.562 176.519 0.011 0.000 1.071 255 W CA -0.865 56.494 57.345 0.023 0.000 1.206 255 W CB 0.473 29.964 29.460 0.051 0.000 1.413 255 W HN 0.340 nan 8.180 nan 0.000 0.542 256 N N 0.381 119.206 118.700 0.209 0.000 2.420 256 N HA 0.081 4.821 4.740 -0.000 0.000 0.262 256 N C 0.845 176.340 175.510 -0.026 0.000 1.144 256 N CA 0.295 53.375 53.050 0.049 0.000 0.952 256 N CB 0.923 39.405 38.487 -0.007 0.000 1.081 256 N HN 0.409 nan 8.380 nan 0.000 0.480 257 S N 1.133 116.825 115.700 -0.013 0.000 2.469 257 S HA -0.090 4.380 4.470 -0.000 0.000 0.238 257 S C 1.188 175.514 174.600 -0.456 0.000 0.998 257 S CA 0.964 59.139 58.200 -0.042 0.000 0.957 257 S CB 0.019 63.302 63.200 0.138 0.000 0.764 257 S HN 0.650 nan 8.310 nan 0.000 0.514 258 S N 0.183 115.614 115.700 -0.448 0.000 2.591 258 S HA -0.004 4.466 4.470 -0.000 0.000 0.235 258 S C 2.117 176.371 174.600 -0.578 0.000 1.074 258 S CA 0.777 58.691 58.200 -0.477 0.000 0.925 258 S CB -0.222 62.871 63.200 -0.178 0.000 0.818 258 S HN 0.739 nan 8.310 nan 0.000 0.535 259 T N -1.420 112.919 114.554 -0.359 0.000 3.065 259 T HA 0.119 4.469 4.350 -0.000 0.000 0.252 259 T C 0.441 175.116 174.700 -0.041 0.000 1.099 259 T CA 0.029 62.037 62.100 -0.154 0.000 1.063 259 T CB -0.748 68.094 68.868 -0.043 0.000 0.948 259 T HN 0.388 nan 8.240 nan 0.000 0.506 260 Y N 0.639 120.985 120.300 0.077 0.000 4.079 260 Y HA -0.192 4.358 4.550 -0.000 0.000 0.223 260 Y C 0.318 176.326 175.900 0.180 0.000 1.155 260 Y CA 0.085 58.236 58.100 0.086 0.000 1.805 260 Y CB -1.793 36.655 38.460 -0.020 0.000 1.571 260 Y HN 0.215 nan 8.280 nan 0.000 0.654 261 K N 0.606 121.160 120.400 0.257 0.000 2.110 261 K HA 0.564 4.884 4.320 -0.000 0.000 0.263 261 K C 0.128 176.871 176.600 0.239 0.000 0.975 261 K CA -0.845 55.582 56.287 0.232 0.000 0.895 261 K CB 1.890 34.450 32.500 0.099 0.000 1.060 261 K HN -0.002 nan 8.250 nan 0.000 0.448 262 V N 3.122 123.091 119.914 0.092 0.000 2.655 262 V HA -0.032 4.088 4.120 -0.000 0.000 0.300 262 V C 0.913 176.862 176.094 -0.242 0.000 1.044 262 V CA 0.654 62.728 62.300 -0.377 0.000 1.095 262 V CB 0.552 31.950 31.823 -0.708 0.000 0.952 262 V HN 0.642 nan 8.190 nan 0.000 0.485 263 E N 4.656 124.692 120.200 -0.273 0.000 2.094 263 E HA 0.245 4.595 4.350 -0.000 0.000 0.193 263 E C 0.316 176.810 176.600 -0.176 0.000 0.950 263 E CA 0.635 56.938 56.400 -0.161 0.000 0.842 263 E CB 0.301 29.937 29.700 -0.107 0.000 0.816 263 E HN 0.639 nan 8.360 nan 0.000 0.465 264 K N 0.123 120.391 120.400 -0.221 0.000 2.435 264 K HA 0.432 4.752 4.320 -0.000 0.000 0.251 264 K C -1.268 175.200 176.600 -0.222 0.000 0.954 264 K CA -0.281 55.902 56.287 -0.173 0.000 0.820 264 K CB 2.291 34.731 32.500 -0.100 0.000 1.292 264 K HN -0.146 nan 8.250 nan 0.000 0.436 265 T N 3.333 117.789 114.554 -0.162 0.000 3.008 265 T HA 0.331 4.681 4.350 -0.000 0.000 0.328 265 T C -0.687 173.968 174.700 -0.074 0.000 1.020 265 T CA -0.703 61.307 62.100 -0.149 0.000 1.043 265 T CB 0.003 68.767 68.868 -0.173 0.000 1.010 265 T HN 0.407 nan 8.240 nan 0.000 0.466 266 L N 1.644 122.847 121.223 -0.034 0.000 2.334 266 L HA 0.747 5.087 4.340 -0.000 0.000 0.273 266 L C -0.048 176.826 176.870 0.006 0.000 1.013 266 L CA -0.977 53.856 54.840 -0.012 0.000 0.816 266 L CB 1.571 43.634 42.059 0.006 0.000 1.278 266 L HN 0.434 nan 8.230 nan 0.000 0.431 267 N N 1.127 119.815 118.700 -0.020 0.000 2.682 267 N HA 0.274 5.014 4.740 -0.000 0.000 0.252 267 N C 0.731 176.183 175.510 -0.097 0.000 1.081 267 N CA -0.617 52.412 53.050 -0.036 0.000 0.844 267 N CB 1.517 39.983 38.487 -0.035 0.000 1.167 267 N HN 0.717 nan 8.380 nan 0.000 0.523 268 V N 1.379 121.193 119.914 -0.166 0.000 3.284 268 V HA 0.121 4.241 4.120 -0.000 0.000 0.273 268 V C 1.293 177.215 176.094 -0.286 0.000 1.178 268 V CA 0.906 63.049 62.300 -0.261 0.000 1.177 268 V CB -1.446 30.114 31.823 -0.438 0.000 0.793 268 V HN 0.759 nan 8.190 nan 0.000 0.536 269 G N 0.516 109.180 108.800 -0.227 0.000 2.314 269 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.292 269 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.292 269 G C 0.103 174.873 174.900 -0.217 0.000 1.059 269 G CA 0.583 45.576 45.100 -0.178 0.000 0.982 269 G HN 0.647 nan 8.290 nan 0.000 0.505 270 L N -1.315 119.731 121.223 -0.295 0.000 3.184 270 L HA 0.270 4.610 4.340 -0.000 0.000 0.283 270 L C 0.755 177.609 176.870 -0.027 0.000 1.218 270 L CA -0.131 54.566 54.840 -0.239 0.000 1.028 270 L CB -0.088 41.668 42.059 -0.505 0.000 1.400 270 L HN 0.377 nan 8.230 nan 0.000 0.591 271 E N 0.203 120.397 120.200 -0.009 0.000 4.310 271 E HA -0.179 4.171 4.350 -0.000 0.000 0.198 271 E C -0.063 176.592 176.600 0.093 0.000 1.405 271 E CA 0.320 56.746 56.400 0.043 0.000 2.225 271 E CB -0.474 29.259 29.700 0.056 0.000 2.070 271 E HN 0.210 nan 8.360 nan 0.000 0.518 272 R N 0.647 121.118 120.500 -0.048 0.000 2.523 272 R HA 0.187 4.527 4.340 -0.000 0.000 0.281 272 R C 0.477 176.472 176.300 -0.508 0.000 0.969 272 R CA 0.700 56.579 56.100 -0.368 0.000 1.093 272 R CB 0.171 30.087 30.300 -0.639 0.000 0.917 272 R HN 0.310 nan 8.270 nan 0.000 0.408 273 S N 1.678 117.010 115.700 -0.613 0.000 2.525 273 S HA 0.274 4.744 4.470 -0.000 0.000 0.278 273 S C -0.227 173.928 174.600 -0.742 0.000 1.234 273 S CA -0.713 57.042 58.200 -0.742 0.000 1.058 273 S CB 0.448 63.328 63.200 -0.534 0.000 0.983 273 S HN 0.669 nan 8.310 nan 0.000 0.495 274 W N 2.704 123.896 121.300 -0.180 0.000 2.942 274 W HA 0.288 4.948 4.660 -0.000 0.000 0.260 274 W C 0.452 177.003 176.519 0.053 0.000 1.101 274 W CA -0.505 56.818 57.345 -0.037 0.000 1.436 274 W CB 0.146 29.577 29.460 -0.049 0.000 0.883 274 W HN 0.832 nan 8.180 nan 0.000 0.646 275 C N -0.658 118.722 119.300 0.133 0.000 3.291 275 C HA 0.878 5.338 4.460 -0.000 0.000 0.316 275 C C -0.852 173.703 174.990 -0.725 0.000 1.391 275 C CA -1.204 57.709 59.018 -0.174 0.000 1.394 275 C CB 1.098 28.800 27.740 -0.063 0.000 1.744 275 C HN 0.077 nan 8.230 nan 0.000 0.461 276 I N 0.469 120.488 120.570 -0.919 0.000 3.095 276 I HA 0.930 5.100 4.170 -0.000 0.000 0.310 276 I C -0.574 175.359 176.117 -0.305 0.000 1.196 276 I CA -0.324 60.448 61.300 -0.881 0.000 0.985 276 I CB 2.152 39.188 38.000 -1.607 0.000 1.250 276 I HN 1.614 nan 8.210 nan 0.000 0.446 277 A N 2.130 124.903 122.820 -0.077 0.000 2.594 277 A HA 0.770 5.090 4.320 -0.000 0.000 0.296 277 A C -1.131 176.714 177.584 0.435 0.000 1.056 277 A CA -0.017 52.126 52.037 0.176 0.000 0.693 277 A CB 1.230 20.300 19.000 0.117 0.000 1.278 277 A HN 0.888 nan 8.150 nan 0.000 0.408 278 T N -1.178 113.595 114.554 0.364 0.000 2.900 278 T HA 0.625 4.975 4.350 -0.000 0.000 0.295 278 T C -0.360 174.234 174.700 -0.176 0.000 1.044 278 T CA -0.484 61.674 62.100 0.097 0.000 0.995 278 T CB 1.133 69.965 68.868 -0.060 0.000 1.072 278 T HN 0.932 nan 8.240 nan 0.000 0.473 279 H N 4.076 122.717 119.070 -0.714 0.000 3.046 279 H HA 0.202 4.758 4.556 -0.000 0.000 0.303 279 H C -1.136 174.087 175.328 -0.175 0.000 1.002 279 H CA -0.984 54.728 56.048 -0.560 0.000 1.460 279 H CB 0.990 30.501 29.762 -0.419 0.000 1.493 279 H HN 0.381 nan 8.280 nan 0.000 0.559 280 P HA -0.189 nan 4.420 nan 0.000 0.216 280 P C 0.698 178.045 177.300 0.079 0.000 1.150 280 P CA 1.618 64.688 63.100 -0.049 0.000 0.843 280 P CB 0.323 31.972 31.700 -0.085 0.000 0.787 281 T N -2.349 112.371 114.554 0.277 0.000 3.060 281 T HA 0.334 4.684 4.350 -0.000 0.000 0.249 281 T C 1.426 176.229 174.700 0.171 0.000 1.079 281 T CA 0.603 62.835 62.100 0.219 0.000 1.013 281 T CB -0.128 68.871 68.868 0.218 0.000 0.975 281 T HN 0.315 nan 8.240 nan 0.000 0.518 282 G N 2.545 111.464 108.800 0.199 0.000 2.176 282 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.253 282 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.253 282 G C 0.266 175.156 174.900 -0.017 0.000 0.979 282 G CA -0.002 45.171 45.100 0.121 0.000 0.641 282 G HN 0.607 nan 8.290 nan 0.000 0.530 283 R N 1.313 121.679 120.500 -0.224 0.000 2.486 283 R HA 0.186 4.526 4.340 -0.000 0.000 0.304 283 R C 1.369 177.425 176.300 -0.407 0.000 0.913 283 R CA 1.143 57.027 56.100 -0.359 0.000 1.124 283 R CB -0.141 29.767 30.300 -0.654 0.000 0.891 283 R HN 0.432 nan 8.270 nan 0.000 0.410 284 K N 3.126 123.314 120.400 -0.354 0.000 2.971 284 K HA -0.387 3.933 4.320 -0.000 0.000 0.265 284 K C -0.542 175.827 176.600 -0.386 0.000 1.052 284 K CA 1.401 57.402 56.287 -0.478 0.000 0.780 284 K CB -1.696 30.238 32.500 -0.943 0.000 1.214 284 K HN 1.013 nan 8.250 nan 0.000 0.478 285 N N -0.958 117.663 118.700 -0.132 0.000 2.707 285 N HA -0.241 4.499 4.740 -0.000 0.000 0.253 285 N C -0.559 175.048 175.510 0.162 0.000 0.998 285 N CA 0.770 53.880 53.050 0.101 0.000 0.751 285 N CB -1.109 37.381 38.487 0.006 0.000 0.920 285 N HN 0.378 nan 8.380 nan 0.000 0.539 286 Y N 0.320 120.641 120.300 0.035 0.000 2.425 286 Y HA 0.326 4.876 4.550 -0.000 0.000 0.331 286 Y C 1.335 177.193 175.900 -0.070 0.000 1.157 286 Y CA -0.739 57.330 58.100 -0.052 0.000 1.372 286 Y CB 0.508 38.816 38.460 -0.253 0.000 1.253 286 Y HN 0.165 nan 8.280 nan 0.000 0.536 287 I N 0.313 121.125 120.570 0.404 0.000 2.894 287 I HA 0.974 5.144 4.170 -0.000 0.000 0.302 287 I C -1.474 174.981 176.117 0.563 0.000 1.188 287 I CA -0.980 60.603 61.300 0.472 0.000 1.014 287 I CB 2.406 40.617 38.000 0.352 0.000 1.242 287 I HN 0.515 nan 8.210 nan 0.000 0.430 288 A N 2.817 125.905 122.820 0.447 0.000 2.515 288 A HA 0.869 5.189 4.320 -0.000 0.000 0.298 288 A C -1.034 176.574 177.584 0.040 0.000 1.059 288 A CA -0.459 51.662 52.037 0.139 0.000 0.698 288 A CB 1.908 20.736 19.000 -0.285 0.000 1.289 288 A HN 0.982 nan 8.150 nan 0.000 0.404 289 S N 0.607 116.367 115.700 0.100 0.000 2.546 289 S HA 0.701 5.171 4.470 -0.000 0.000 0.272 289 S C -0.076 174.525 174.600 0.001 0.000 1.140 289 S CA 0.187 58.358 58.200 -0.049 0.000 0.920 289 S CB 1.304 64.480 63.200 -0.040 0.000 1.083 289 S HN 1.929 nan 8.310 nan 0.000 0.476 290 G N 2.773 111.478 108.800 -0.159 0.000 2.377 290 G HA2 0.656 4.616 3.960 -0.000 0.000 0.299 290 G HA3 0.656 4.616 3.960 -0.000 0.000 0.299 290 G C -1.164 173.621 174.900 -0.193 0.000 1.150 290 G CA -0.389 44.731 45.100 0.034 0.000 0.847 290 G HN 0.488 nan 8.290 nan 0.000 0.501 291 F N -0.792 119.278 119.950 0.200 0.000 2.782 291 F HA 0.399 4.926 4.527 0.000 0.000 0.366 291 F C 1.202 177.164 175.800 0.270 0.000 1.171 291 F CA -1.044 57.063 58.000 0.178 0.000 1.064 291 F CB 0.971 40.002 39.000 0.051 0.000 1.449 291 F HN 0.345 nan 8.300 nan 0.000 0.520 292 D N -0.223 120.443 120.400 0.443 0.000 2.097 292 D HA -0.119 4.521 4.640 -0.000 0.000 0.195 292 D C 1.019 177.438 176.300 0.197 0.000 0.989 292 D CA 1.532 55.730 54.000 0.332 0.000 0.827 292 D CB -0.112 40.835 40.800 0.246 0.000 0.966 292 D HN 0.315 nan 8.370 nan 0.000 0.456 293 N N -0.063 118.729 118.700 0.155 0.000 2.322 293 N HA 0.217 4.957 4.740 -0.000 0.000 0.194 293 N C 0.909 176.431 175.510 0.021 0.000 1.126 293 N CA 0.307 53.392 53.050 0.060 0.000 0.845 293 N CB 1.754 40.241 38.487 -0.001 0.000 0.976 293 N HN 0.191 nan 8.380 nan 0.000 0.475 294 G N 0.304 109.164 108.800 0.099 0.000 2.339 294 G HA2 0.230 4.190 3.960 -0.000 0.000 0.275 294 G HA3 0.230 4.190 3.960 -0.000 0.000 0.275 294 G C -1.829 173.187 174.900 0.192 0.000 1.323 294 G CA -0.850 44.262 45.100 0.020 0.000 0.927 294 G HN 0.132 nan 8.290 nan 0.000 0.486 295 F N -1.320 118.603 119.950 -0.045 0.000 2.613 295 F HA 0.917 5.444 4.527 0.000 0.000 0.314 295 F C -0.369 175.350 175.800 -0.135 0.000 1.075 295 F CA -0.511 57.514 58.000 0.041 0.000 0.945 295 F CB 2.170 41.143 39.000 -0.045 0.000 1.310 295 F HN 0.784 nan 8.300 nan 0.000 0.467 296 T N 1.403 116.127 114.554 0.283 0.000 2.903 296 T HA 0.643 4.993 4.350 -0.000 0.000 0.299 296 T C -1.938 172.896 174.700 0.223 0.000 1.093 296 T CA -0.533 61.607 62.100 0.067 0.000 1.002 296 T CB 1.681 70.529 68.868 -0.033 0.000 1.127 296 T HN 1.431 nan 8.240 nan 0.000 0.488 297 V N 5.724 125.732 119.914 0.156 0.000 2.531 297 V HA 0.818 4.938 4.120 -0.000 0.000 0.301 297 V C -1.589 174.622 176.094 0.196 0.000 1.034 297 V CA -0.639 61.759 62.300 0.162 0.000 0.865 297 V CB 1.108 32.932 31.823 0.002 0.000 0.995 297 V HN 0.884 nan 8.190 nan 0.000 0.424 298 L N 4.572 125.950 121.223 0.258 0.000 2.319 298 L HA 0.714 5.054 4.340 -0.000 0.000 0.267 298 L C 0.123 177.215 176.870 0.371 0.000 1.011 298 L CA -0.670 54.331 54.840 0.268 0.000 0.818 298 L CB 2.188 44.372 42.059 0.208 0.000 1.316 298 L HN 0.740 nan 8.230 nan 0.000 0.432 299 S N 0.792 116.679 115.700 0.311 0.000 2.438 299 S HA 0.443 4.913 4.470 -0.000 0.000 0.316 299 S C 0.791 175.465 174.600 0.123 0.000 1.084 299 S CA -0.673 57.656 58.200 0.214 0.000 1.107 299 S CB 0.664 63.938 63.200 0.123 0.000 0.981 299 S HN 0.614 nan 8.310 nan 0.000 0.466 300 L N 4.479 125.759 121.223 0.095 0.000 2.217 300 L HA 0.300 4.640 4.340 -0.000 0.000 0.211 300 L C 1.438 178.320 176.870 0.019 0.000 1.107 300 L CA 0.694 55.564 54.840 0.049 0.000 0.783 300 L CB -0.447 41.615 42.059 0.005 0.000 0.919 300 L HN 0.829 nan 8.230 nan 0.000 0.442 301 G N -1.860 106.945 108.800 0.009 0.000 2.322 301 G HA2 0.012 3.972 3.960 -0.000 0.000 0.295 301 G HA3 0.012 3.972 3.960 -0.000 0.000 0.295 301 G C -1.401 173.507 174.900 0.012 0.000 1.369 301 G CA -0.801 44.312 45.100 0.023 0.000 0.821 301 G HN -0.167 nan 8.290 nan 0.000 0.536 302 N N -0.190 118.531 118.700 0.034 0.000 2.294 302 N HA -0.019 4.721 4.740 -0.000 0.000 0.248 302 N C 0.276 175.791 175.510 0.009 0.000 1.242 302 N CA 0.443 53.507 53.050 0.024 0.000 0.848 302 N CB 1.401 39.910 38.487 0.037 0.000 1.084 302 N HN 0.583 nan 8.380 nan 0.000 0.457 303 D N 1.566 121.958 120.400 -0.013 0.000 2.366 303 D HA 0.026 4.666 4.640 -0.000 0.000 0.205 303 D C -0.412 175.857 176.300 -0.052 0.000 1.022 303 D CA 0.261 54.246 54.000 -0.026 0.000 0.868 303 D CB 0.300 41.074 40.800 -0.043 0.000 0.953 303 D HN 0.570 nan 8.370 nan 0.000 0.514 304 E N 2.172 122.314 120.200 -0.097 0.000 2.481 304 E HA 0.071 4.421 4.350 -0.000 0.000 0.263 304 E C -2.000 174.430 176.600 -0.283 0.000 0.992 304 E CA -0.773 55.429 56.400 -0.330 0.000 0.938 304 E CB 0.416 29.912 29.700 -0.339 0.000 0.933 304 E HN 0.272 nan 8.360 nan 0.000 0.453 305 P HA 0.029 nan 4.420 nan 0.000 0.278 305 P C -0.839 176.384 177.300 -0.129 0.000 1.238 305 P CA -0.356 62.628 63.100 -0.193 0.000 0.794 305 P CB 0.912 32.493 31.700 -0.197 0.000 0.955 306 T N 4.301 118.838 114.554 -0.028 0.000 2.811 306 T HA 0.491 4.841 4.350 -0.000 0.000 0.309 306 T C 0.204 174.965 174.700 0.103 0.000 1.005 306 T CA -0.276 61.829 62.100 0.009 0.000 0.955 306 T CB -0.545 68.307 68.868 -0.026 0.000 0.970 306 T HN 0.353 nan 8.240 nan 0.000 0.496 307 L N -0.048 121.242 121.223 0.112 0.000 2.510 307 L HA 1.022 5.362 4.340 -0.000 0.000 0.252 307 L C -0.996 175.999 176.870 0.208 0.000 1.091 307 L CA -1.016 53.944 54.840 0.201 0.000 0.888 307 L CB 2.058 44.239 42.059 0.203 0.000 1.507 307 L HN 0.415 nan 8.230 nan 0.000 0.407 308 S N 0.322 116.187 115.700 0.276 0.000 2.542 308 S HA 0.649 5.119 4.470 -0.000 0.000 0.276 308 S C -1.992 172.838 174.600 0.383 0.000 1.148 308 S CA -0.497 57.908 58.200 0.342 0.000 0.886 308 S CB 1.892 65.348 63.200 0.427 0.000 1.109 308 S HN 0.754 nan 8.310 nan 0.000 0.458 309 L N 4.580 125.945 121.223 0.237 0.000 2.313 309 L HA 0.646 4.986 4.340 -0.000 0.000 0.283 309 L C -0.307 176.481 176.870 -0.137 0.000 1.013 309 L CA -0.256 54.632 54.840 0.079 0.000 0.816 309 L CB 1.504 43.602 42.059 0.064 0.000 1.236 309 L HN 0.861 nan 8.230 nan 0.000 0.419 310 D N 4.459 124.609 120.400 -0.417 0.000 2.451 310 D HA 0.316 4.956 4.640 -0.000 0.000 0.259 310 D C -1.993 174.191 176.300 -0.192 0.000 1.201 310 D CA -1.753 51.936 54.000 -0.518 0.000 1.028 310 D CB 0.277 40.645 40.800 -0.721 0.000 1.095 310 D HN 0.299 nan 8.370 nan 0.000 0.539 311 P HA -0.167 nan 4.420 nan 0.000 0.216 311 P C 1.330 178.602 177.300 -0.046 0.000 1.154 311 P CA 1.281 64.350 63.100 -0.051 0.000 0.865 311 P CB 0.157 31.831 31.700 -0.042 0.000 0.789 312 V N -2.811 117.062 119.914 -0.068 0.000 3.052 312 V HA 0.238 4.358 4.120 -0.000 0.000 0.254 312 V C 1.750 177.793 176.094 -0.085 0.000 1.100 312 V CA 1.451 63.714 62.300 -0.061 0.000 1.112 312 V CB -0.739 31.054 31.823 -0.050 0.000 0.738 312 V HN 0.375 nan 8.190 nan 0.000 0.469 313 G N 0.033 108.771 108.800 -0.103 0.000 2.370 313 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.174 313 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.174 313 G C 0.015 174.861 174.900 -0.090 0.000 1.002 313 G CA -0.550 44.466 45.100 -0.140 0.000 0.730 313 G HN 0.458 nan 8.290 nan 0.000 0.497 314 K N 0.796 121.166 120.400 -0.049 0.000 2.349 314 K HA 0.499 4.819 4.320 -0.000 0.000 0.289 314 K C -0.298 176.361 176.600 0.097 0.000 1.064 314 K CA -0.365 55.938 56.287 0.028 0.000 0.947 314 K CB 1.609 34.138 32.500 0.048 0.000 1.007 314 K HN 0.169 nan 8.250 nan 0.000 0.478 315 L N 4.142 125.464 121.223 0.166 0.000 2.307 315 L HA 0.365 4.705 4.340 -0.000 0.000 0.282 315 L C -0.993 176.129 176.870 0.421 0.000 1.051 315 L CA -0.465 54.546 54.840 0.286 0.000 0.804 315 L CB 1.568 43.770 42.059 0.239 0.000 1.197 315 L HN 0.332 nan 8.230 nan 0.000 0.431 316 V N 4.817 125.000 119.914 0.447 0.000 2.656 316 V HA 0.645 4.765 4.120 -0.000 0.000 0.307 316 V C -1.071 175.268 176.094 0.407 0.000 1.051 316 V CA -0.383 62.086 62.300 0.281 0.000 0.893 316 V CB 1.547 33.428 31.823 0.096 0.000 0.999 316 V HN 0.948 nan 8.190 nan 0.000 0.426 317 W N 2.843 124.175 121.300 0.052 0.000 3.137 317 W HA 0.806 5.466 4.660 -0.000 0.000 0.324 317 W C -0.658 175.914 176.519 0.089 0.000 1.253 317 W CA -0.880 56.503 57.345 0.062 0.000 1.183 317 W CB 1.134 30.631 29.460 0.062 0.000 1.424 317 W HN 0.598 nan 8.180 nan 0.000 0.566 318 S N 1.715 117.564 115.700 0.249 0.000 2.549 318 S HA 0.830 5.300 4.470 -0.000 0.000 0.297 318 S C 0.549 175.326 174.600 0.294 0.000 1.115 318 S CA 0.053 58.337 58.200 0.139 0.000 1.059 318 S CB 1.162 64.384 63.200 0.036 0.000 1.046 318 S HN 2.375 nan 8.310 nan 0.000 0.506 319 G N 1.879 110.862 108.800 0.305 0.000 2.591 319 G HA2 0.267 4.227 3.960 -0.000 0.000 0.298 319 G HA3 0.267 4.227 3.960 -0.000 0.000 0.298 319 G C 0.730 175.824 174.900 0.323 0.000 1.195 319 G CA 0.342 45.627 45.100 0.309 0.000 0.989 319 G HN 2.799 nan 8.290 nan 0.000 0.551 320 G N -1.313 107.612 108.800 0.209 0.000 2.661 320 G HA2 0.327 4.287 3.960 -0.000 0.000 0.685 320 G HA3 0.327 4.287 3.960 -0.000 0.000 0.685 320 G C -0.096 174.824 174.900 0.034 0.000 1.298 320 G CA 0.620 45.783 45.100 0.105 0.000 0.855 320 G HN 1.579 nan 8.290 nan 0.000 0.560 321 K N 0.557 120.935 120.400 -0.038 0.000 2.437 321 K HA 0.179 4.499 4.320 -0.000 0.000 0.277 321 K C 1.013 177.603 176.600 -0.018 0.000 1.073 321 K CA 1.039 57.308 56.287 -0.029 0.000 1.105 321 K CB -0.284 32.178 32.500 -0.063 0.000 0.881 321 K HN 1.355 nan 8.250 nan 0.000 0.475 322 N N 1.536 120.238 118.700 0.003 0.000 2.815 322 N HA -0.214 4.526 4.740 -0.000 0.000 0.248 322 N C -1.905 173.613 175.510 0.013 0.000 1.110 322 N CA 0.985 54.033 53.050 -0.003 0.000 0.699 322 N CB -0.905 37.575 38.487 -0.011 0.000 1.040 322 N HN 0.686 nan 8.380 nan 0.000 0.555 323 A N -0.895 121.957 122.820 0.055 0.000 2.604 323 A HA 0.858 5.178 4.320 -0.000 0.000 0.295 323 A C -0.295 177.392 177.584 0.170 0.000 1.067 323 A CA -0.223 51.894 52.037 0.133 0.000 0.683 323 A CB 0.822 19.933 19.000 0.185 0.000 1.281 323 A HN 0.900 nan 8.150 nan 0.000 0.407 324 A N 0.458 123.394 122.820 0.193 0.000 2.462 324 A HA 0.548 4.868 4.320 -0.000 0.000 0.243 324 A C 1.435 179.148 177.584 0.214 0.000 1.076 324 A CA 0.415 52.572 52.037 0.200 0.000 0.773 324 A CB -0.034 19.073 19.000 0.177 0.000 1.010 324 A HN 2.296 nan 8.150 nan 0.000 0.493 325 A N 1.599 124.568 122.820 0.248 0.000 2.076 325 A HA -0.043 4.277 4.320 -0.000 0.000 0.220 325 A C 1.958 179.649 177.584 0.179 0.000 1.160 325 A CA 2.054 54.255 52.037 0.275 0.000 0.653 325 A CB -0.626 18.689 19.000 0.525 0.000 0.801 325 A HN 1.660 nan 8.150 nan 0.000 0.455 326 S N -0.630 115.160 115.700 0.150 0.000 2.614 326 S HA 0.166 4.636 4.470 -0.000 0.000 0.230 326 S C -0.433 174.143 174.600 -0.040 0.000 0.952 326 S CA -0.525 57.714 58.200 0.064 0.000 0.949 326 S CB -0.075 63.175 63.200 0.084 0.000 0.786 326 S HN 0.360 nan 8.310 nan 0.000 0.478 327 D N 2.099 122.468 120.400 -0.051 0.000 2.193 327 D HA 0.412 5.052 4.640 -0.000 0.000 0.244 327 D C -0.289 175.678 176.300 -0.556 0.000 1.064 327 D CA -0.344 53.478 54.000 -0.296 0.000 0.845 327 D CB 1.396 42.104 40.800 -0.153 0.000 1.148 327 D HN 0.167 nan 8.370 nan 0.000 0.464 328 I N 2.266 122.273 120.570 -0.938 0.000 2.460 328 I HA 0.455 4.625 4.170 -0.000 0.000 0.298 328 I C -0.165 175.053 176.117 -1.499 0.000 0.989 328 I CA -0.568 60.127 61.300 -1.007 0.000 1.173 328 I CB 0.629 38.036 38.000 -0.988 0.000 1.338 328 I HN 0.190 nan 8.210 nan 0.000 0.456 329 F N 2.109 121.458 119.950 -1.002 0.000 2.629 329 F HA 0.711 5.238 4.527 -0.000 0.000 0.316 329 F C 0.222 175.331 175.800 -1.152 0.000 1.081 329 F CA -0.647 56.664 58.000 -1.148 0.000 0.954 329 F CB 2.062 40.159 39.000 -1.505 0.000 1.337 329 F HN 0.257 nan 8.300 nan 0.000 0.474 330 T N 0.298 114.519 114.554 -0.556 0.000 2.883 330 T HA 0.874 5.224 4.350 -0.000 0.000 0.301 330 T C -1.170 173.579 174.700 0.082 0.000 1.158 330 T CA -0.800 61.190 62.100 -0.184 0.000 1.007 330 T CB 2.105 70.910 68.868 -0.104 0.000 1.186 330 T HN 0.905 nan 8.240 nan 0.000 0.499 331 A N 0.914 123.903 122.820 0.282 0.000 2.583 331 A HA 0.909 5.229 4.320 -0.000 0.000 0.289 331 A C -1.788 175.881 177.584 0.141 0.000 1.151 331 A CA -0.714 51.471 52.037 0.247 0.000 0.695 331 A CB 1.519 20.735 19.000 0.361 0.000 1.290 331 A HN 0.682 nan 8.150 nan 0.000 0.419 332 V N 1.180 121.137 119.914 0.072 0.000 2.569 332 V HA 0.323 4.443 4.120 -0.000 0.000 0.301 332 V C -0.692 175.384 176.094 -0.031 0.000 1.044 332 V CA -0.138 62.171 62.300 0.015 0.000 0.874 332 V CB 1.614 33.443 31.823 0.010 0.000 1.002 332 V HN 0.695 nan 8.190 nan 0.000 0.424 333 I N 5.994 126.503 120.570 -0.103 0.000 2.389 333 I HA 0.223 4.393 4.170 -0.000 0.000 0.295 333 I C 1.437 177.485 176.117 -0.115 0.000 1.117 333 I CA -0.309 60.889 61.300 -0.170 0.000 1.317 333 I CB 0.476 38.202 38.000 -0.457 0.000 1.431 333 I HN 0.621 nan 8.210 nan 0.000 0.521 334 R N 4.472 124.941 120.500 -0.051 0.000 2.189 334 R HA 0.020 4.360 4.340 -0.000 0.000 0.218 334 R C 1.535 177.826 176.300 -0.015 0.000 1.074 334 R CA 0.824 56.907 56.100 -0.028 0.000 0.991 334 R CB -0.345 29.948 30.300 -0.011 0.000 0.883 334 R HN 0.966 nan 8.270 nan 0.000 0.457 335 G N 1.940 110.744 108.800 0.007 0.000 2.141 335 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.231 335 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.231 335 G C -0.190 174.735 174.900 0.041 0.000 0.984 335 G CA 0.240 45.370 45.100 0.050 0.000 0.660 335 G HN 0.467 nan 8.290 nan 0.000 0.525 336 N N 0.342 119.058 118.700 0.027 0.000 2.765 336 N HA 0.315 5.055 4.740 -0.000 0.000 0.277 336 N C -0.820 174.698 175.510 0.014 0.000 1.750 336 N CA -0.509 52.550 53.050 0.016 0.000 0.827 336 N CB 0.765 39.256 38.487 0.006 0.000 1.200 336 N HN 0.306 nan 8.380 nan 0.000 0.494 337 E N 0.959 121.172 120.200 0.021 0.000 2.092 337 E HA 0.203 4.553 4.350 -0.000 0.000 0.271 337 E C 0.542 177.141 176.600 -0.002 0.000 0.919 337 E CA -0.539 55.867 56.400 0.011 0.000 0.760 337 E CB 1.853 31.566 29.700 0.022 0.000 1.106 337 E HN 0.195 nan 8.360 nan 0.000 0.408 338 E N 1.059 121.254 120.200 -0.009 0.000 2.187 338 E HA -0.090 4.260 4.350 -0.000 0.000 0.199 338 E C 0.718 177.307 176.600 -0.018 0.000 1.004 338 E CA 0.550 56.942 56.400 -0.014 0.000 0.813 338 E CB -0.246 29.445 29.700 -0.015 0.000 0.736 338 E HN 0.310 nan 8.360 nan 0.000 0.468 339 V N 3.082 122.983 119.914 -0.022 0.000 2.960 339 V HA -0.202 3.918 4.120 -0.000 0.000 0.282 339 V C 1.038 177.118 176.094 -0.022 0.000 1.420 339 V CA 0.869 63.151 62.300 -0.030 0.000 1.448 339 V CB 0.087 31.884 31.823 -0.043 0.000 0.886 339 V HN 0.121 nan 8.190 nan 0.000 0.522 340 E N 2.818 123.007 120.200 -0.018 0.000 2.371 340 E HA 0.078 4.428 4.350 -0.000 0.000 0.257 340 E C 0.852 177.462 176.600 0.017 0.000 1.134 340 E CA -0.205 56.192 56.400 -0.005 0.000 0.919 340 E CB 0.613 30.315 29.700 0.003 0.000 1.025 340 E HN 0.721 nan 8.360 nan 0.000 0.438 341 Q N 1.060 120.874 119.800 0.024 0.000 2.002 341 Q HA -0.198 4.142 4.340 -0.000 0.000 0.204 341 Q C 0.772 176.893 176.000 0.202 0.000 0.988 341 Q CA 2.026 57.870 55.803 0.069 0.000 0.843 341 Q CB -0.026 28.723 28.738 0.019 0.000 0.908 341 Q HN 0.502 nan 8.270 nan 0.000 0.420 342 D N 0.086 120.602 120.400 0.193 0.000 2.348 342 D HA -0.059 4.581 4.640 -0.000 0.000 0.248 342 D C -0.439 176.074 176.300 0.355 0.000 1.142 342 D CA 0.431 54.615 54.000 0.307 0.000 0.904 342 D CB -0.075 40.826 40.800 0.167 0.000 0.901 342 D HN 0.094 nan 8.370 nan 0.000 0.523 343 E N 1.160 121.478 120.200 0.197 0.000 2.238 343 E HA 0.331 4.681 4.350 -0.000 0.000 0.267 343 E C -2.506 173.892 176.600 -0.338 0.000 0.887 343 E CA -2.251 54.137 56.400 -0.020 0.000 0.769 343 E CB 2.323 32.001 29.700 -0.036 0.000 1.187 343 E HN 0.110 nan 8.360 nan 0.000 0.416 344 P HA 0.130 nan 4.420 nan 0.000 0.272 344 P C -0.050 177.043 177.300 -0.344 0.000 1.223 344 P CA -0.148 62.482 63.100 -0.784 0.000 0.784 344 P CB 0.885 32.148 31.700 -0.728 0.000 0.923 345 L N 0.921 122.005 121.223 -0.231 0.000 2.418 345 L HA 0.213 4.553 4.340 -0.000 0.000 0.265 345 L C 1.316 178.131 176.870 -0.091 0.000 1.143 345 L CA -0.299 54.481 54.840 -0.100 0.000 0.809 345 L CB 0.427 42.478 42.059 -0.012 0.000 1.124 345 L HN 0.376 nan 8.230 nan 0.000 0.456 346 S N 2.942 118.608 115.700 -0.057 0.000 3.729 346 S HA 0.400 4.870 4.470 -0.000 0.000 0.235 346 S C -0.131 174.460 174.600 -0.016 0.000 1.367 346 S CA -0.658 57.516 58.200 -0.043 0.000 0.907 346 S CB -0.789 62.389 63.200 -0.036 0.000 1.471 346 S HN 0.333 nan 8.310 nan 0.000 0.476 347 L N 2.947 124.164 121.223 -0.010 0.000 2.418 347 L HA 0.413 4.753 4.340 -0.000 0.000 0.265 347 L C 0.698 177.596 176.870 0.048 0.000 1.143 347 L CA -0.492 54.360 54.840 0.020 0.000 0.809 347 L CB 0.716 42.789 42.059 0.024 0.000 1.124 347 L HN 0.459 nan 8.230 nan 0.000 0.456 348 Q N 1.574 121.410 119.800 0.060 0.000 2.390 348 Q HA 0.222 4.562 4.340 -0.000 0.000 0.249 348 Q C -0.829 175.235 176.000 0.107 0.000 0.996 348 Q CA -0.454 55.388 55.803 0.065 0.000 0.899 348 Q CB 0.971 29.733 28.738 0.041 0.000 1.216 348 Q HN 0.624 nan 8.270 nan 0.000 0.465 349 T N 3.212 117.846 114.554 0.134 0.000 2.868 349 T HA 0.364 4.714 4.350 -0.000 0.000 0.292 349 T C -0.542 174.212 174.700 0.089 0.000 1.028 349 T CA -0.331 61.874 62.100 0.175 0.000 1.059 349 T CB 0.845 69.842 68.868 0.215 0.000 0.991 349 T HN 0.481 nan 8.240 nan 0.000 0.531 350 K N 1.540 121.968 120.400 0.047 0.000 2.550 350 K HA 0.252 4.572 4.320 -0.000 0.000 0.252 350 K C -1.115 175.428 176.600 -0.094 0.000 0.943 350 K CA -0.474 55.804 56.287 -0.014 0.000 0.806 350 K CB 1.311 33.785 32.500 -0.043 0.000 1.289 350 K HN 0.534 nan 8.250 nan 0.000 0.435 351 E N 4.290 124.418 120.200 -0.121 0.000 2.344 351 E HA 0.086 4.436 4.350 -0.000 0.000 0.270 351 E C 0.066 176.397 176.600 -0.449 0.000 1.021 351 E CA -0.112 56.069 56.400 -0.366 0.000 0.887 351 E CB 1.142 30.667 29.700 -0.291 0.000 0.997 351 E HN 0.541 nan 8.360 nan 0.000 0.429 352 L N 1.663 122.458 121.223 -0.713 0.000 2.388 352 L HA 0.218 4.558 4.340 -0.000 0.000 0.209 352 L C 0.946 177.260 176.870 -0.927 0.000 1.061 352 L CA 0.781 55.149 54.840 -0.786 0.000 0.834 352 L CB 0.385 41.800 42.059 -1.074 0.000 1.029 352 L HN 0.748 nan 8.230 nan 0.000 0.473 353 G N -1.189 107.022 108.800 -0.981 0.000 2.586 353 G HA2 0.269 4.229 3.960 -0.000 0.000 0.105 353 G HA3 0.269 4.229 3.960 -0.000 0.000 0.105 353 G C -1.212 173.393 174.900 -0.491 0.000 1.129 353 G CA 0.412 45.121 45.100 -0.651 0.000 1.127 353 G HN 0.132 nan 8.290 nan 0.000 0.532 354 S N -0.586 114.964 115.700 -0.251 0.000 2.284 354 S HA 0.377 4.847 4.470 -0.000 0.000 0.220 354 S C -0.576 174.022 174.600 -0.003 0.000 0.692 354 S CA -0.218 57.880 58.200 -0.169 0.000 0.895 354 S CB 0.065 63.175 63.200 -0.151 0.000 1.346 354 S HN 1.402 nan 8.310 nan 0.000 0.391 355 V N 2.310 122.243 119.914 0.032 0.000 3.178 355 V HA 0.173 4.293 4.120 -0.000 0.000 0.306 355 V C 0.847 176.981 176.094 0.067 0.000 1.107 355 V CA 0.514 62.882 62.300 0.113 0.000 1.195 355 V CB 0.171 32.066 31.823 0.120 0.000 0.993 355 V HN 1.011 nan 8.190 nan 0.000 0.493 356 D N 0.687 121.127 120.400 0.066 0.000 3.088 356 D HA 0.508 5.148 4.640 -0.000 0.000 0.310 356 D C -0.639 175.690 176.300 0.047 0.000 1.351 356 D CA -0.161 53.865 54.000 0.042 0.000 0.921 356 D CB 1.000 41.810 40.800 0.017 0.000 1.045 356 D HN 0.282 nan 8.370 nan 0.000 0.504 357 V N 0.584 120.540 119.914 0.070 0.000 3.147 357 V HA 0.351 4.471 4.120 -0.000 0.000 0.299 357 V C -1.671 174.506 176.094 0.139 0.000 1.302 357 V CA -1.319 61.034 62.300 0.088 0.000 1.015 357 V CB 2.294 34.150 31.823 0.055 0.000 1.086 357 V HN 0.285 nan 8.190 nan 0.000 0.437 358 F N 8.243 128.206 119.950 0.022 0.000 2.462 358 F HA 0.502 5.029 4.527 -0.000 0.000 0.360 358 F C -1.851 173.969 175.800 0.033 0.000 1.134 358 F CA -2.643 55.374 58.000 0.029 0.000 1.148 358 F CB 0.797 39.812 39.000 0.026 0.000 1.147 358 F HN 0.293 nan 8.300 nan 0.000 0.550 359 P HA -0.042 nan 4.420 nan 0.000 0.259 359 P C -0.438 176.525 177.300 -0.562 0.000 1.211 359 P CA 0.421 63.277 63.100 -0.406 0.000 0.810 359 P CB 0.749 32.305 31.700 -0.240 0.000 0.815 360 Q N 2.057 121.671 119.800 -0.309 0.000 2.107 360 Q HA 0.033 4.373 4.340 -0.000 0.000 0.195 360 Q C 0.808 176.744 176.000 -0.107 0.000 0.964 360 Q CA 0.953 56.636 55.803 -0.200 0.000 0.833 360 Q CB 0.111 28.805 28.738 -0.073 0.000 0.910 360 Q HN 0.601 nan 8.270 nan 0.000 0.465 361 S N -0.407 115.256 115.700 -0.061 0.000 2.570 361 S HA 0.666 5.136 4.470 -0.000 0.000 0.286 361 S C -1.067 173.539 174.600 0.009 0.000 1.099 361 S CA -0.942 57.258 58.200 -0.001 0.000 0.913 361 S CB 1.982 65.207 63.200 0.042 0.000 1.085 361 S HN 0.244 nan 8.310 nan 0.000 0.480 362 L N 1.962 123.221 121.223 0.059 0.000 2.504 362 L HA 0.807 5.147 4.340 -0.000 0.000 0.265 362 L C -1.040 175.924 176.870 0.156 0.000 0.975 362 L CA -0.331 54.559 54.840 0.083 0.000 0.864 362 L CB 1.231 43.335 42.059 0.074 0.000 1.212 362 L HN 1.118 nan 8.230 nan 0.000 0.416 363 A N 2.772 125.717 122.820 0.208 0.000 2.393 363 A HA 0.665 4.985 4.320 -0.000 0.000 0.306 363 A C -1.379 176.461 177.584 0.427 0.000 1.050 363 A CA -0.522 51.720 52.037 0.342 0.000 0.724 363 A CB 0.882 20.141 19.000 0.432 0.000 1.248 363 A HN 0.841 nan 8.150 nan 0.000 0.424 364 H N 0.995 120.245 119.070 0.300 0.000 2.607 364 H HA 0.409 4.965 4.556 -0.000 0.000 0.367 364 H C 1.273 176.572 175.328 -0.049 0.000 1.181 364 H CA 1.229 57.386 56.048 0.182 0.000 1.402 364 H CB 0.942 30.759 29.762 0.092 0.000 1.474 364 H HN 0.773 nan 8.280 nan 0.000 0.596 365 S N 2.840 118.296 115.700 -0.406 0.000 2.584 365 S HA 0.031 4.501 4.470 -0.000 0.000 0.270 365 S C -1.569 172.778 174.600 -0.421 0.000 1.346 365 S CA -1.086 56.304 58.200 -1.349 0.000 1.018 365 S CB 1.002 63.307 63.200 -1.491 0.000 0.899 365 S HN 0.557 nan 8.310 nan 0.000 0.542 366 P HA -0.179 nan 4.420 nan 0.000 0.218 366 P C 0.670 177.918 177.300 -0.087 0.000 1.146 366 P CA 1.489 64.538 63.100 -0.084 0.000 0.813 366 P CB -0.319 31.359 31.700 -0.037 0.000 0.778 367 N N -1.123 117.493 118.700 -0.140 0.000 2.353 367 N HA 0.061 4.801 4.740 -0.000 0.000 0.185 367 N C 1.367 176.808 175.510 -0.114 0.000 1.098 367 N CA 0.805 53.789 53.050 -0.109 0.000 0.872 367 N CB -0.982 37.438 38.487 -0.111 0.000 0.970 367 N HN 0.203 nan 8.380 nan 0.000 0.467 368 G N 0.735 109.468 108.800 -0.112 0.000 2.143 368 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.249 368 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.249 368 G C 0.926 175.823 174.900 -0.005 0.000 0.981 368 G CA 0.441 45.515 45.100 -0.043 0.000 0.665 368 G HN 0.548 nan 8.290 nan 0.000 0.528 369 R N -1.105 119.288 120.500 -0.177 0.000 2.127 369 R HA 0.434 4.774 4.340 -0.000 0.000 0.217 369 R C 0.448 176.480 176.300 -0.447 0.000 1.074 369 R CA 0.834 56.708 56.100 -0.376 0.000 0.991 369 R CB -0.008 29.907 30.300 -0.641 0.000 0.895 369 R HN 0.305 nan 8.270 nan 0.000 0.450 370 F N -1.194 118.774 119.950 0.030 0.000 2.598 370 F HA 0.524 5.051 4.527 -0.000 0.000 0.327 370 F C -0.593 175.301 175.800 0.156 0.000 1.057 370 F CA -1.214 56.861 58.000 0.125 0.000 0.957 370 F CB 1.979 41.123 39.000 0.240 0.000 1.278 370 F HN -0.435 nan 8.300 nan 0.000 0.484 371 V N 0.661 120.843 119.914 0.446 0.000 2.623 371 V HA 0.493 4.613 4.120 -0.000 0.000 0.304 371 V C -0.794 175.469 176.094 0.282 0.000 1.054 371 V CA -0.742 61.725 62.300 0.279 0.000 0.882 371 V CB 1.978 33.886 31.823 0.142 0.000 1.002 371 V HN 0.791 nan 8.190 nan 0.000 0.424 372 T N 4.044 118.731 114.554 0.223 0.000 2.794 372 T HA 0.640 4.990 4.350 -0.000 0.000 0.280 372 T C -0.419 174.205 174.700 -0.127 0.000 0.987 372 T CA -0.435 61.557 62.100 -0.181 0.000 0.993 372 T CB 1.705 69.966 68.868 -1.011 0.000 0.939 372 T HN 0.364 nan 8.240 nan 0.000 0.449 373 V N 4.075 123.933 119.914 -0.092 0.000 2.409 373 V HA 0.462 4.582 4.120 -0.000 0.000 0.291 373 V C -0.135 175.916 176.094 -0.070 0.000 1.020 373 V CA -0.740 61.541 62.300 -0.032 0.000 0.848 373 V CB 1.718 33.576 31.823 0.057 0.000 0.990 373 V HN 0.705 nan 8.190 nan 0.000 0.430 374 V N 3.498 123.370 119.914 -0.070 0.000 2.547 374 V HA 0.994 5.114 4.120 -0.000 0.000 0.299 374 V C 0.535 176.612 176.094 -0.028 0.000 1.040 374 V CA -0.047 62.232 62.300 -0.036 0.000 0.913 374 V CB 1.629 33.438 31.823 -0.023 0.000 0.992 374 V HN 1.091 nan 8.190 nan 0.000 0.449 375 G N 1.580 110.383 108.800 0.006 0.000 2.633 375 G HA2 0.482 4.442 3.960 -0.000 0.000 0.299 375 G HA3 0.482 4.442 3.960 -0.000 0.000 0.299 375 G C -1.057 173.877 174.900 0.058 0.000 1.501 375 G CA -0.651 44.460 45.100 0.018 0.000 0.887 375 G HN 0.602 nan 8.290 nan 0.000 0.561 376 D N 0.182 120.636 120.400 0.090 0.000 2.697 376 D HA -0.158 4.482 4.640 -0.000 0.000 0.235 376 D C 1.587 177.921 176.300 0.057 0.000 1.167 376 D CA 2.637 56.688 54.000 0.084 0.000 0.656 376 D CB -1.073 39.781 40.800 0.090 0.000 1.025 376 D HN 2.227 nan 8.370 nan 0.000 0.419 377 G N -0.171 108.662 108.800 0.055 0.000 2.179 377 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.257 377 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.257 377 G C 0.129 175.061 174.900 0.052 0.000 1.010 377 G CA 1.000 46.130 45.100 0.050 0.000 0.736 377 G HN 0.574 nan 8.290 nan 0.000 0.513 378 E N -1.653 118.578 120.200 0.050 0.000 2.433 378 E HA 0.690 5.040 4.350 -0.000 0.000 0.273 378 E C -0.868 175.770 176.600 0.062 0.000 0.950 378 E CA -1.047 55.370 56.400 0.028 0.000 0.796 378 E CB 1.997 31.688 29.700 -0.014 0.000 1.330 378 E HN 0.611 nan 8.360 nan 0.000 0.455 379 Y N -1.835 118.412 120.300 -0.087 0.000 2.544 379 Y HA 0.652 5.202 4.550 -0.000 0.000 0.342 379 Y C -1.528 174.265 175.900 -0.179 0.000 1.062 379 Y CA -1.076 56.909 58.100 -0.191 0.000 1.023 379 Y CB 1.102 39.383 38.460 -0.299 0.000 1.308 379 Y HN 0.310 nan 8.280 nan 0.000 0.457 380 V N 1.416 121.256 119.914 -0.124 0.000 2.932 380 V HA 0.726 4.846 4.120 -0.000 0.000 0.307 380 V C -1.155 174.833 176.094 -0.178 0.000 1.147 380 V CA -1.151 61.015 62.300 -0.224 0.000 0.951 380 V CB 1.678 33.380 31.823 -0.203 0.000 1.031 380 V HN 0.918 nan 8.190 nan 0.000 0.426 381 I N 3.912 124.319 120.570 -0.272 0.000 2.474 381 I HA 0.682 4.852 4.170 -0.000 0.000 0.294 381 I C -1.071 174.824 176.117 -0.371 0.000 1.005 381 I CA -0.571 60.630 61.300 -0.165 0.000 1.113 381 I CB 2.019 40.014 38.000 -0.008 0.000 1.289 381 I HN 0.661 nan 8.210 nan 0.000 0.436 382 Y N 2.050 122.196 120.300 -0.257 0.000 2.602 382 Y HA 0.414 4.964 4.550 -0.000 0.000 0.342 382 Y C 0.279 176.187 175.900 0.014 0.000 1.029 382 Y CA -1.038 56.802 58.100 -0.434 0.000 1.080 382 Y CB 1.818 39.415 38.460 -1.439 0.000 1.284 382 Y HN 0.339 nan 8.280 nan 0.000 0.485 383 T N 1.342 116.032 114.554 0.226 0.000 2.780 383 T HA 0.324 4.674 4.350 -0.000 0.000 0.294 383 T C 1.116 175.961 174.700 0.241 0.000 0.949 383 T CA 0.015 62.283 62.100 0.280 0.000 1.074 383 T CB 1.216 70.192 68.868 0.181 0.000 0.910 383 T HN 0.845 nan 8.240 nan 0.000 0.501 384 A N 3.762 126.714 122.820 0.221 0.000 2.076 384 A HA -0.036 4.284 4.320 -0.000 0.000 0.220 384 A C 1.897 179.633 177.584 0.254 0.000 1.160 384 A CA 1.180 53.393 52.037 0.294 0.000 0.653 384 A CB -0.534 18.616 19.000 0.250 0.000 0.801 384 A HN 0.839 nan 8.150 nan 0.000 0.455 385 L N -1.290 120.033 121.223 0.167 0.000 2.042 385 L HA 0.094 4.434 4.340 -0.000 0.000 0.204 385 L C 2.692 179.658 176.870 0.159 0.000 1.130 385 L CA 0.986 55.900 54.840 0.124 0.000 0.779 385 L CB -0.360 41.737 42.059 0.063 0.000 0.918 385 L HN 0.299 nan 8.230 nan 0.000 0.450 386 A N -1.600 121.307 122.820 0.145 0.000 2.239 386 A HA -0.212 4.108 4.320 -0.000 0.000 0.209 386 A C 1.144 178.891 177.584 0.272 0.000 1.171 386 A CA 0.125 52.255 52.037 0.154 0.000 0.768 386 A CB -0.881 18.179 19.000 0.101 0.000 0.790 386 A HN 0.791 nan 8.150 nan 0.000 0.478 387 W N 0.530 121.874 121.300 0.073 0.000 5.538 387 W HA -0.237 4.423 4.660 0.000 0.000 0.377 387 W C -0.604 176.058 176.519 0.239 0.000 1.406 387 W CA 0.664 58.085 57.345 0.127 0.000 0.940 387 W CB -1.193 28.258 29.460 -0.015 0.000 2.536 387 W HN 0.435 nan 8.180 nan 0.000 1.504 388 R N 1.317 121.875 120.500 0.096 0.000 2.459 388 R HA 0.147 4.487 4.340 -0.000 0.000 0.281 388 R C 0.291 176.472 176.300 -0.198 0.000 1.050 388 R CA -0.565 55.529 56.100 -0.010 0.000 1.055 388 R CB 0.527 30.829 30.300 0.002 0.000 1.045 388 R HN 0.085 nan 8.270 nan 0.000 0.495 389 N N 1.402 119.901 118.700 -0.334 0.000 2.420 389 N HA -0.024 4.716 4.740 -0.000 0.000 0.262 389 N C 0.300 175.571 175.510 -0.399 0.000 1.144 389 N CA 0.110 52.797 53.050 -0.606 0.000 0.952 389 N CB 0.751 38.881 38.487 -0.595 0.000 1.081 389 N HN 0.355 nan 8.380 nan 0.000 0.480 390 K N 1.962 122.106 120.400 -0.427 0.000 2.308 390 K HA 0.322 4.642 4.320 -0.000 0.000 0.197 390 K C -0.380 175.936 176.600 -0.473 0.000 1.049 390 K CA 0.278 56.274 56.287 -0.485 0.000 0.991 390 K CB 0.368 32.470 32.500 -0.663 0.000 0.836 390 K HN 0.647 nan 8.250 nan 0.000 0.500 391 A N 0.465 123.130 122.820 -0.257 0.000 2.586 391 A HA 0.620 4.940 4.320 -0.000 0.000 0.291 391 A C -1.700 175.887 177.584 0.005 0.000 1.062 391 A CA -0.826 51.192 52.037 -0.032 0.000 0.666 391 A CB 0.811 19.905 19.000 0.158 0.000 1.281 391 A HN 0.098 nan 8.150 nan 0.000 0.421 392 F N -1.883 117.811 119.950 -0.426 0.000 2.703 392 F HA 0.885 5.412 4.527 0.000 0.000 0.308 392 F C -0.140 175.150 175.800 -0.850 0.000 1.126 392 F CA -0.405 57.118 58.000 -0.795 0.000 0.959 392 F CB 0.923 39.615 39.000 -0.513 0.000 1.297 392 F HN 1.690 nan 8.300 nan 0.000 0.441 393 G N 1.425 109.482 108.800 -1.238 0.000 2.441 393 G HA2 0.515 4.475 3.960 -0.000 0.000 0.294 393 G HA3 0.515 4.475 3.960 -0.000 0.000 0.294 393 G C -2.334 172.387 174.900 -0.298 0.000 1.393 393 G CA -1.397 43.313 45.100 -0.650 0.000 0.796 393 G HN 0.625 nan 8.290 nan 0.000 0.494 394 K N -0.218 120.158 120.400 -0.040 0.000 2.248 394 K HA 0.638 4.958 4.320 -0.000 0.000 0.281 394 K C -0.034 176.649 176.600 0.138 0.000 1.054 394 K CA -0.285 56.028 56.287 0.044 0.000 0.903 394 K CB 1.006 33.524 32.500 0.029 0.000 1.077 394 K HN 0.950 nan 8.250 nan 0.000 0.474 395 C N 0.480 119.873 119.300 0.155 0.000 3.318 395 C HA 0.371 4.831 4.460 -0.000 0.000 0.322 395 C C 0.590 175.632 174.990 0.086 0.000 1.398 395 C CA -0.594 58.505 59.018 0.135 0.000 1.339 395 C CB 1.420 29.260 27.740 0.166 0.000 1.668 395 C HN 0.912 nan 8.230 nan 0.000 0.462 396 Q N 0.577 120.410 119.800 0.056 0.000 2.394 396 Q HA 0.254 4.594 4.340 -0.000 0.000 0.218 396 Q C -0.434 175.583 176.000 0.028 0.000 0.907 396 Q CA 0.702 56.527 55.803 0.038 0.000 0.919 396 Q CB 0.463 29.215 28.738 0.025 0.000 1.051 396 Q HN 0.829 nan 8.270 nan 0.000 0.538 397 D N -1.222 119.190 120.400 0.021 0.000 2.602 397 D HA 0.424 5.064 4.640 -0.000 0.000 0.236 397 D C -1.962 174.356 176.300 0.029 0.000 1.209 397 D CA -0.610 53.400 54.000 0.017 0.000 0.831 397 D CB 2.050 42.836 40.800 -0.023 0.000 1.478 397 D HN -0.075 nan 8.370 nan 0.000 0.438 398 F N 2.136 121.986 119.950 -0.167 0.000 2.608 398 F HA 0.595 5.122 4.527 0.000 0.000 0.309 398 F C -1.588 174.105 175.800 -0.179 0.000 1.103 398 F CA -0.554 57.276 58.000 -0.283 0.000 0.954 398 F CB 1.434 40.135 39.000 -0.498 0.000 1.267 398 F HN 0.187 nan 8.300 nan 0.000 0.444 399 V N 1.365 121.004 119.914 -0.458 0.000 2.851 399 V HA 0.501 4.621 4.120 -0.000 0.000 0.307 399 V C -1.437 174.492 176.094 -0.275 0.000 1.129 399 V CA -1.198 61.055 62.300 -0.079 0.000 0.932 399 V CB 0.999 32.932 31.823 0.184 0.000 1.024 399 V HN 0.893 nan 8.190 nan 0.000 0.426 400 W N 2.179 123.510 121.300 0.051 0.000 2.170 400 W HA 0.653 5.313 4.660 -0.000 0.000 0.336 400 W C 1.202 177.598 176.519 -0.205 0.000 1.283 400 W CA 0.888 58.230 57.345 -0.004 0.000 1.224 400 W CB 1.076 30.626 29.460 0.150 0.000 1.132 400 W HN 1.032 nan 8.180 nan 0.000 0.571 401 G N 1.841 110.551 108.800 -0.150 0.000 2.562 401 G HA2 0.257 4.216 3.960 -0.000 0.000 0.275 401 G HA3 0.257 4.216 3.960 -0.000 0.000 0.275 401 G C -2.048 172.533 174.900 -0.532 0.000 1.196 401 G CA -1.027 43.478 45.100 -0.991 0.000 0.908 401 G HN 0.273 nan 8.290 nan 0.000 0.524 402 P HA -0.046 nan 4.420 nan 0.000 0.222 402 P C 0.958 178.152 177.300 -0.177 0.000 1.147 402 P CA 1.259 64.171 63.100 -0.314 0.000 0.790 402 P CB 0.221 31.731 31.700 -0.316 0.000 0.780 403 D N -2.206 118.089 120.400 -0.174 0.000 2.325 403 D HA 0.044 4.684 4.640 -0.000 0.000 0.225 403 D C 0.245 176.505 176.300 -0.067 0.000 1.096 403 D CA -0.137 53.806 54.000 -0.095 0.000 0.844 403 D CB -0.830 39.925 40.800 -0.075 0.000 0.925 403 D HN -0.151 nan 8.370 nan 0.000 0.513 404 S N -0.381 115.273 115.700 -0.076 0.000 3.257 404 S HA -0.288 4.182 4.470 -0.000 0.000 0.300 404 S C 0.548 175.167 174.600 0.031 0.000 1.275 404 S CA 1.072 59.203 58.200 -0.114 0.000 1.023 404 S CB -2.265 60.844 63.200 -0.152 0.000 1.180 404 S HN 0.777 nan 8.310 nan 0.000 0.660 405 N N -0.056 118.673 118.700 0.047 0.000 2.547 405 N HA 0.234 4.974 4.740 -0.000 0.000 0.285 405 N C -0.808 174.592 175.510 -0.183 0.000 1.600 405 N CA 0.623 53.670 53.050 -0.004 0.000 0.872 405 N CB 0.476 38.961 38.487 -0.004 0.000 1.412 405 N HN 0.498 nan 8.380 nan 0.000 0.489 406 S N -0.336 115.297 115.700 -0.111 0.000 2.565 406 S HA 0.513 4.983 4.470 -0.000 0.000 0.274 406 S C -1.417 173.028 174.600 -0.258 0.000 1.144 406 S CA -0.757 57.176 58.200 -0.445 0.000 0.849 406 S CB 1.228 64.172 63.200 -0.426 0.000 1.103 406 S HN 0.265 nan 8.310 nan 0.000 0.455 407 Y N -1.300 118.798 120.300 -0.336 0.000 2.689 407 Y HA 0.928 5.478 4.550 -0.000 0.000 0.333 407 Y C -0.868 174.906 175.900 -0.210 0.000 1.208 407 Y CA -1.198 56.638 58.100 -0.440 0.000 1.055 407 Y CB 0.672 38.359 38.460 -1.287 0.000 1.304 407 Y HN 1.172 nan 8.280 nan 0.000 0.455 408 A N 1.690 124.520 122.820 0.017 0.000 2.350 408 A HA 0.880 5.200 4.320 -0.000 0.000 0.324 408 A C -1.860 175.619 177.584 -0.176 0.000 1.118 408 A CA -0.660 51.376 52.037 -0.002 0.000 0.783 408 A CB 1.217 20.229 19.000 0.020 0.000 1.236 408 A HN 0.601 nan 8.150 nan 0.000 0.457 409 L N 0.891 122.067 121.223 -0.078 0.000 2.303 409 L HA 0.618 4.958 4.340 -0.000 0.000 0.256 409 L C -0.572 176.294 176.870 -0.007 0.000 1.034 409 L CA -0.211 54.573 54.840 -0.094 0.000 0.832 409 L CB 1.897 43.888 42.059 -0.114 0.000 1.403 409 L HN 0.641 nan 8.230 nan 0.000 0.419 410 I N 1.582 122.151 120.570 -0.001 0.000 2.464 410 I HA 0.219 4.389 4.170 -0.000 0.000 0.277 410 I C -0.439 175.702 176.117 0.040 0.000 1.040 410 I CA -0.843 60.468 61.300 0.018 0.000 1.153 410 I CB 1.055 39.057 38.000 0.002 0.000 1.274 410 I HN 0.666 nan 8.210 nan 0.000 0.469 411 D N 5.679 126.116 120.400 0.061 0.000 2.111 411 D HA -0.127 4.513 4.640 -0.000 0.000 0.247 411 D C 1.191 177.522 176.300 0.052 0.000 1.266 411 D CA 0.118 54.162 54.000 0.073 0.000 0.959 411 D CB 0.528 41.379 40.800 0.086 0.000 1.258 411 D HN 0.557 nan 8.370 nan 0.000 0.534 412 E N -1.379 118.851 120.200 0.049 0.000 2.371 412 E HA -0.119 4.231 4.350 -0.000 0.000 0.194 412 E C 1.482 178.098 176.600 0.026 0.000 1.012 412 E CA 1.170 57.591 56.400 0.035 0.000 0.860 412 E CB -0.868 28.852 29.700 0.032 0.000 0.811 412 E HN 0.604 nan 8.360 nan 0.000 0.502 413 T N -2.213 112.357 114.554 0.027 0.000 3.169 413 T HA 0.330 4.680 4.350 -0.000 0.000 0.250 413 T C 1.368 176.076 174.700 0.014 0.000 1.111 413 T CA 0.478 62.589 62.100 0.018 0.000 1.010 413 T CB -0.224 68.655 68.868 0.018 0.000 0.984 413 T HN 0.334 nan 8.240 nan 0.000 0.537 414 G N 0.806 109.616 108.800 0.018 0.000 2.147 414 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.244 414 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.244 414 G C -0.306 174.599 174.900 0.008 0.000 1.005 414 G CA 0.062 45.169 45.100 0.011 0.000 0.713 414 G HN 0.684 nan 8.290 nan 0.000 0.515 415 Q N -0.885 118.927 119.800 0.020 0.000 2.306 415 Q HA 0.656 4.996 4.340 -0.000 0.000 0.265 415 Q C 0.349 176.375 176.000 0.044 0.000 1.022 415 Q CA -0.928 54.888 55.803 0.022 0.000 0.853 415 Q CB 1.829 30.583 28.738 0.027 0.000 1.327 415 Q HN 0.397 nan 8.270 nan 0.000 0.449 416 I N 2.288 122.885 120.570 0.046 0.000 2.371 416 I HA 0.208 4.378 4.170 -0.000 0.000 0.290 416 I C -0.095 176.141 176.117 0.199 0.000 1.028 416 I CA 0.090 61.446 61.300 0.094 0.000 1.345 416 I CB 0.410 38.455 38.000 0.074 0.000 1.407 416 I HN 0.277 nan 8.210 nan 0.000 0.501 417 K N 6.470 126.972 120.400 0.170 0.000 2.427 417 K HA 0.383 4.703 4.320 -0.000 0.000 0.252 417 K C -1.363 175.264 176.600 0.046 0.000 0.931 417 K CA -0.802 55.593 56.287 0.180 0.000 0.793 417 K CB 2.822 35.460 32.500 0.229 0.000 1.211 417 K HN 0.463 nan 8.250 nan 0.000 0.426 418 Y N 1.974 121.995 120.300 -0.465 0.000 2.334 418 Y HA 0.334 4.884 4.550 -0.000 0.000 0.328 418 Y C -1.132 174.458 175.900 -0.517 0.000 1.130 418 Y CA -0.714 56.894 58.100 -0.819 0.000 1.163 418 Y CB 0.951 38.263 38.460 -1.912 0.000 1.207 418 Y HN 0.511 nan 8.280 nan 0.000 0.471 419 Y N 4.080 123.771 120.300 -1.014 0.000 2.442 419 Y HA 0.372 4.922 4.550 -0.000 0.000 0.344 419 Y C -0.846 174.268 175.900 -1.310 0.000 0.976 419 Y CA -1.039 56.438 58.100 -1.039 0.000 1.040 419 Y CB 2.140 39.896 38.460 -1.173 0.000 1.228 419 Y HN 0.454 nan 8.280 nan 0.000 0.451 420 K N 2.379 122.306 120.400 -0.789 0.000 2.397 420 K HA 0.290 4.610 4.320 -0.000 0.000 0.253 420 K C -0.123 176.241 176.600 -0.394 0.000 0.932 420 K CA -0.464 55.440 56.287 -0.638 0.000 0.795 420 K CB 0.832 33.036 32.500 -0.492 0.000 1.159 420 K HN 0.712 nan 8.250 nan 0.000 0.424 421 N N 4.323 122.804 118.700 -0.366 0.000 2.716 421 N HA -0.241 4.499 4.740 -0.000 0.000 0.250 421 N C -0.956 174.540 175.510 -0.024 0.000 1.033 421 N CA 0.786 53.728 53.050 -0.180 0.000 0.727 421 N CB -0.621 37.849 38.487 -0.028 0.000 0.950 421 N HN 0.722 nan 8.380 nan 0.000 0.541 422 F N -3.026 116.870 119.950 -0.091 0.000 2.914 422 F HA -0.256 4.271 4.527 -0.000 0.000 0.304 422 F C 0.408 176.258 175.800 0.083 0.000 0.712 422 F CA 1.109 59.128 58.000 0.032 0.000 1.211 422 F CB -1.489 37.537 39.000 0.043 0.000 1.515 422 F HN 0.200 nan 8.300 nan 0.000 0.350 423 K N 0.968 121.403 120.400 0.059 0.000 2.376 423 K HA 0.297 4.617 4.320 -0.000 0.000 0.257 423 K C 0.045 176.452 176.600 -0.321 0.000 0.939 423 K CA -0.812 55.458 56.287 -0.029 0.000 0.809 423 K CB 1.879 34.350 32.500 -0.048 0.000 1.121 423 K HN 0.144 nan 8.250 nan 0.000 0.425 424 E N 2.924 122.796 120.200 -0.547 0.000 2.383 424 E HA -0.029 4.321 4.350 -0.000 0.000 0.257 424 E C -0.504 175.801 176.600 -0.492 0.000 1.079 424 E CA -0.134 55.671 56.400 -0.992 0.000 0.934 424 E CB 0.706 29.861 29.700 -0.909 0.000 0.978 424 E HN 0.276 nan 8.360 nan 0.000 0.462 425 V N 5.898 125.546 119.914 -0.443 0.000 2.287 425 V HA 0.010 4.130 4.120 -0.000 0.000 0.246 425 V C 1.201 177.263 176.094 -0.054 0.000 1.165 425 V CA 0.607 62.796 62.300 -0.184 0.000 1.088 425 V CB 0.073 31.823 31.823 -0.122 0.000 1.242 425 V HN 0.886 nan 8.190 nan 0.000 0.497 426 T N 2.219 116.735 114.554 -0.064 0.000 2.849 426 T HA -0.197 4.153 4.350 -0.000 0.000 0.270 426 T C 1.825 176.560 174.700 0.058 0.000 1.066 426 T CA 1.772 63.867 62.100 -0.008 0.000 1.130 426 T CB -0.581 68.270 68.868 -0.028 0.000 0.864 426 T HN 0.995 nan 8.240 nan 0.000 0.481 427 S N -0.896 114.849 115.700 0.076 0.000 2.453 427 S HA 0.006 4.476 4.470 -0.000 0.000 0.231 427 S C 0.575 175.259 174.600 0.139 0.000 1.005 427 S CA -0.475 57.776 58.200 0.084 0.000 0.949 427 S CB -0.884 62.360 63.200 0.074 0.000 0.774 427 S HN 0.743 nan 8.310 nan 0.000 0.510 428 W N 2.134 123.437 121.300 0.005 0.000 2.150 428 W HA 0.555 5.215 4.660 0.000 0.000 0.341 428 W C 0.265 176.771 176.519 -0.022 0.000 1.276 428 W CA 0.945 58.303 57.345 0.022 0.000 1.238 428 W CB 0.714 30.246 29.460 0.120 0.000 1.128 428 W HN 0.199 nan 8.180 nan 0.000 0.581 429 S N 2.766 118.149 115.700 -0.529 0.000 2.611 429 S HA 0.619 5.089 4.470 -0.000 0.000 0.270 429 S C -2.181 171.859 174.600 -0.933 0.000 1.131 429 S CA -0.838 57.074 58.200 -0.481 0.000 0.826 429 S CB 0.749 63.816 63.200 -0.221 0.000 1.095 429 S HN 0.406 nan 8.310 nan 0.000 0.461 430 V N 3.837 123.363 119.914 -0.646 0.000 2.686 430 V HA 0.608 4.728 4.120 -0.000 0.000 0.306 430 V C -2.220 173.611 176.094 -0.437 0.000 1.065 430 V CA -1.444 60.420 62.300 -0.728 0.000 0.894 430 V CB 2.322 33.538 31.823 -1.012 0.000 1.004 430 V HN 0.827 nan 8.190 nan 0.000 0.424 431 P HA 0.358 nan 4.420 nan 0.000 0.268 431 P C -1.105 176.108 177.300 -0.146 0.000 1.541 431 P CA -0.190 62.822 63.100 -0.147 0.000 1.093 431 P CB 0.392 32.048 31.700 -0.073 0.000 1.551 432 M N 2.789 122.329 119.600 -0.099 0.000 2.093 432 M HA 0.199 4.679 4.480 -0.000 0.000 0.297 432 M C 0.929 177.278 176.300 0.081 0.000 0.938 432 M CA -0.472 54.768 55.300 -0.101 0.000 0.920 432 M CB 1.235 33.736 32.600 -0.165 0.000 1.517 432 M HN 0.409 nan 8.290 nan 0.000 0.427 433 H N -0.472 118.540 119.070 -0.098 0.000 2.548 433 H HA 0.196 4.752 4.556 -0.000 0.000 0.268 433 H C 0.340 175.647 175.328 -0.036 0.000 0.975 433 H CA -0.055 55.962 56.048 -0.052 0.000 1.195 433 H CB 0.936 30.683 29.762 -0.026 0.000 1.397 433 H HN 0.493 nan 8.280 nan 0.000 0.572 434 S N -0.062 115.684 115.700 0.076 0.000 2.766 434 S HA 0.582 5.052 4.470 -0.000 0.000 0.307 434 S C -0.183 174.427 174.600 0.017 0.000 1.121 434 S CA -0.827 57.401 58.200 0.047 0.000 0.980 434 S CB 1.818 65.055 63.200 0.062 0.000 1.159 434 S HN 0.337 nan 8.310 nan 0.000 0.546 435 A N 1.324 124.155 122.820 0.018 0.000 2.425 435 A HA 0.483 4.803 4.320 -0.000 0.000 0.249 435 A C -0.227 177.364 177.584 0.011 0.000 1.084 435 A CA -0.275 51.768 52.037 0.009 0.000 0.781 435 A CB -0.255 18.750 19.000 0.009 0.000 1.019 435 A HN 0.585 nan 8.150 nan 0.000 0.490 436 I N 2.915 123.486 120.570 0.001 0.000 2.312 436 I HA 0.122 4.292 4.170 -0.000 0.000 0.291 436 I C 0.181 176.298 176.117 -0.001 0.000 1.031 436 I CA -0.144 61.157 61.300 0.001 0.000 1.293 436 I CB 0.628 38.619 38.000 -0.015 0.000 1.403 436 I HN 0.689 nan 8.210 nan 0.000 0.484 437 D N 6.254 126.657 120.400 0.005 0.000 2.149 437 D HA 0.012 4.652 4.640 -0.000 0.000 0.206 437 D C 0.904 177.177 176.300 -0.045 0.000 0.967 437 D CA 1.057 55.054 54.000 -0.006 0.000 0.848 437 D CB 0.567 41.376 40.800 0.015 0.000 0.998 437 D HN 0.639 nan 8.370 nan 0.000 0.474 438 R N -1.199 119.243 120.500 -0.098 0.000 2.774 438 R HA 0.481 4.821 4.340 -0.000 0.000 0.279 438 R C -1.560 174.545 176.300 -0.325 0.000 1.022 438 R CA -0.729 55.250 56.100 -0.202 0.000 0.855 438 R CB 0.679 30.820 30.300 -0.264 0.000 1.279 438 R HN -0.123 nan 8.270 nan 0.000 0.485 439 L N 0.354 121.368 121.223 -0.348 0.000 2.331 439 L HA 0.683 5.023 4.340 -0.000 0.000 0.268 439 L C -0.938 175.647 176.870 -0.475 0.000 1.015 439 L CA -1.085 53.583 54.840 -0.288 0.000 0.807 439 L CB 1.196 43.200 42.059 -0.091 0.000 1.293 439 L HN 0.439 nan 8.230 nan 0.000 0.451 440 F N -0.539 119.515 119.950 0.174 0.000 2.561 440 F HA 0.364 4.891 4.527 -0.000 0.000 0.313 440 F C 0.429 176.443 175.800 0.356 0.000 1.126 440 F CA -0.426 57.734 58.000 0.268 0.000 0.918 440 F CB 2.120 41.297 39.000 0.295 0.000 1.199 440 F HN 0.278 nan 8.300 nan 0.000 0.444 441 S N 0.986 117.053 115.700 0.611 0.000 2.634 441 S HA 0.820 5.290 4.470 -0.000 0.000 0.261 441 S C 0.211 175.162 174.600 0.586 0.000 1.271 441 S CA 0.598 59.156 58.200 0.597 0.000 0.985 441 S CB 1.016 64.516 63.200 0.500 0.000 0.968 441 S HN 1.224 nan 8.310 nan 0.000 0.568 442 G N -0.201 108.849 108.800 0.418 0.000 2.346 442 G HA2 0.348 4.308 3.960 -0.000 0.000 0.294 442 G HA3 0.348 4.308 3.960 -0.000 0.000 0.294 442 G C 0.267 175.001 174.900 -0.277 0.000 1.294 442 G CA 0.000 45.066 45.100 -0.057 0.000 0.962 442 G HN 1.041 nan 8.290 nan 0.000 0.508 443 A N -0.998 121.180 122.820 -1.069 0.000 2.121 443 A HA 0.537 4.857 4.320 -0.000 0.000 0.218 443 A C 1.055 178.426 177.584 -0.354 0.000 1.154 443 A CA 1.366 53.004 52.037 -0.665 0.000 0.679 443 A CB -0.361 18.143 19.000 -0.828 0.000 0.795 443 A HN 0.922 nan 8.150 nan 0.000 0.458 444 L N -1.271 119.639 121.223 -0.521 0.000 2.393 444 L HA 0.457 4.797 4.340 -0.000 0.000 0.260 444 L C -0.826 175.917 176.870 -0.211 0.000 1.002 444 L CA -1.157 53.508 54.840 -0.293 0.000 0.818 444 L CB 2.119 43.965 42.059 -0.355 0.000 1.369 444 L HN 0.166 nan 8.230 nan 0.000 0.412 445 L N 1.584 122.360 121.223 -0.746 0.000 2.361 445 L HA 0.512 4.852 4.340 -0.000 0.000 0.278 445 L C 0.341 177.256 176.870 0.076 0.000 1.113 445 L CA 0.456 54.891 54.840 -0.675 0.000 0.849 445 L CB 0.748 42.175 42.059 -1.053 0.000 1.155 445 L HN 0.581 nan 8.230 nan 0.000 0.452 446 G N 4.841 113.815 108.800 0.290 0.000 2.348 446 G HA2 0.584 4.544 3.960 -0.000 0.000 0.312 446 G HA3 0.584 4.544 3.960 -0.000 0.000 0.312 446 G C -1.352 173.730 174.900 0.304 0.000 1.126 446 G CA -0.441 44.873 45.100 0.356 0.000 0.865 446 G HN 0.582 nan 8.290 nan 0.000 0.474 447 V N 2.790 122.856 119.914 0.253 0.000 2.686 447 V HA 0.415 4.535 4.120 -0.000 0.000 0.306 447 V C -0.401 175.847 176.094 0.257 0.000 1.065 447 V CA -1.240 61.192 62.300 0.219 0.000 0.894 447 V CB 1.969 33.955 31.823 0.271 0.000 1.004 447 V HN 0.611 nan 8.190 nan 0.000 0.424 448 K N 2.429 122.936 120.400 0.178 0.000 2.227 448 K HA 0.733 5.053 4.320 -0.000 0.000 0.280 448 K C -0.633 176.074 176.600 0.180 0.000 1.041 448 K CA 0.122 56.535 56.287 0.210 0.000 0.905 448 K CB 1.529 34.121 32.500 0.153 0.000 1.068 448 K HN 0.789 nan 8.250 nan 0.000 0.470 449 S N 3.349 119.194 115.700 0.241 0.000 2.584 449 S HA 0.173 4.643 4.470 -0.000 0.000 0.280 449 S C -1.702 173.005 174.600 0.179 0.000 1.162 449 S CA -0.618 57.706 58.200 0.205 0.000 0.951 449 S CB 0.388 63.723 63.200 0.225 0.000 1.108 449 S HN 0.739 nan 8.310 nan 0.000 0.464 450 D N 3.071 123.485 120.400 0.024 0.000 2.735 450 D HA -0.166 4.474 4.640 -0.000 0.000 0.235 450 D C 0.929 176.960 176.300 -0.448 0.000 1.175 450 D CA 1.770 55.678 54.000 -0.152 0.000 0.683 450 D CB -1.584 39.142 40.800 -0.122 0.000 1.008 450 D HN 1.537 nan 8.370 nan 0.000 0.416 451 G N -0.449 108.193 108.800 -0.264 0.000 2.258 451 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.274 451 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.274 451 G C 0.111 174.823 174.900 -0.312 0.000 1.021 451 G CA 0.627 45.547 45.100 -0.299 0.000 0.798 451 G HN 0.562 nan 8.290 nan 0.000 0.507 452 F N -1.955 117.978 119.950 -0.029 0.000 2.603 452 F HA 0.633 5.160 4.527 -0.000 0.000 0.317 452 F C 0.069 175.778 175.800 -0.151 0.000 1.066 452 F CA -1.582 56.324 58.000 -0.157 0.000 0.941 452 F CB 2.452 41.307 39.000 -0.242 0.000 1.291 452 F HN -0.056 nan 8.300 nan 0.000 0.472 453 V N 2.210 122.043 119.914 -0.135 0.000 2.444 453 V HA 0.327 4.447 4.120 -0.000 0.000 0.294 453 V C -1.228 174.516 176.094 -0.584 0.000 1.022 453 V CA -0.876 61.267 62.300 -0.261 0.000 0.850 453 V CB 1.379 32.953 31.823 -0.414 0.000 0.992 453 V HN 0.492 nan 8.190 nan 0.000 0.426 454 Y N 4.172 124.255 120.300 -0.362 0.000 2.342 454 Y HA 0.630 5.180 4.550 -0.000 0.000 0.334 454 Y C -0.204 175.293 175.900 -0.671 0.000 1.067 454 Y CA -0.618 57.197 58.100 -0.476 0.000 1.128 454 Y CB 1.516 39.856 38.460 -0.200 0.000 1.200 454 Y HN 0.507 nan 8.280 nan 0.000 0.464 455 F N 3.463 123.169 119.950 -0.406 0.000 2.444 455 F HA 0.559 5.086 4.527 -0.000 0.000 0.342 455 F C -0.797 174.592 175.800 -0.684 0.000 1.121 455 F CA -0.814 56.983 58.000 -0.338 0.000 0.997 455 F CB 0.981 39.880 39.000 -0.167 0.000 1.130 455 F HN 0.281 nan 8.300 nan 0.000 0.454 456 F N 0.355 120.316 119.950 0.017 0.000 2.598 456 F HA 0.290 4.817 4.527 -0.000 0.000 0.327 456 F C -0.253 175.416 175.800 -0.220 0.000 1.057 456 F CA -1.169 56.757 58.000 -0.124 0.000 0.957 456 F CB 1.348 40.249 39.000 -0.165 0.000 1.278 456 F HN 0.301 nan 8.300 nan 0.000 0.484 457 D N 0.536 120.958 120.400 0.036 0.000 2.316 457 D HA 0.113 4.753 4.640 -0.000 0.000 0.245 457 D C 0.339 176.718 176.300 0.132 0.000 1.171 457 D CA -0.116 53.914 54.000 0.050 0.000 0.856 457 D CB 0.600 41.493 40.800 0.156 0.000 1.090 457 D HN 0.405 nan 8.370 nan 0.000 0.476 458 W N 2.350 123.704 121.300 0.089 0.000 2.321 458 W HA -0.184 4.476 4.660 -0.000 0.000 0.306 458 W C 1.787 178.333 176.519 0.046 0.000 1.217 458 W CA 0.638 57.975 57.345 -0.012 0.000 1.257 458 W CB -0.079 29.344 29.460 -0.061 0.000 1.145 458 W HN 0.531 nan 8.180 nan 0.000 0.509 459 D N -0.517 120.113 120.400 0.384 0.000 2.144 459 D HA -0.147 4.493 4.640 -0.000 0.000 0.199 459 D C 1.188 177.712 176.300 0.373 0.000 0.984 459 D CA 1.785 55.997 54.000 0.353 0.000 0.834 459 D CB -0.551 40.406 40.800 0.262 0.000 0.955 459 D HN 0.438 nan 8.370 nan 0.000 0.465 460 N N -2.022 116.822 118.700 0.239 0.000 2.082 460 N HA 0.174 4.914 4.740 -0.000 0.000 0.228 460 N C 1.086 176.396 175.510 -0.332 0.000 1.341 460 N CA 0.430 53.490 53.050 0.017 0.000 0.873 460 N CB 0.461 38.978 38.487 0.050 0.000 1.137 460 N HN 0.052 nan 8.380 nan 0.000 0.505 461 G N 0.015 108.631 108.800 -0.307 0.000 2.221 461 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.265 461 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.265 461 G C -0.240 174.569 174.900 -0.153 0.000 1.041 461 G CA 0.653 45.426 45.100 -0.546 0.000 0.807 461 G HN 0.417 nan 8.290 nan 0.000 0.502 462 T N 0.643 115.225 114.554 0.048 0.000 2.884 462 T HA 0.411 4.761 4.350 -0.000 0.000 0.298 462 T C 0.858 175.682 174.700 0.206 0.000 0.998 462 T CA -0.395 61.794 62.100 0.148 0.000 1.124 462 T CB 1.543 70.551 68.868 0.233 0.000 0.931 462 T HN 0.384 nan 8.240 nan 0.000 0.531 463 L N 5.280 126.616 121.223 0.187 0.000 2.456 463 L HA 0.113 4.453 4.340 -0.000 0.000 0.277 463 L C 0.910 177.730 176.870 -0.082 0.000 1.124 463 L CA -0.114 54.687 54.840 -0.065 0.000 0.880 463 L CB 0.347 42.419 42.059 0.021 0.000 1.192 463 L HN 0.569 nan 8.230 nan 0.000 0.463 464 V N 5.218 124.997 119.914 -0.225 0.000 2.426 464 V HA 0.209 4.329 4.120 -0.000 0.000 0.242 464 V C 1.085 177.193 176.094 0.023 0.000 1.036 464 V CA 0.775 62.968 62.300 -0.178 0.000 1.044 464 V CB -0.249 31.367 31.823 -0.346 0.000 0.688 464 V HN 0.749 nan 8.190 nan 0.000 0.462 465 R N -0.755 119.738 120.500 -0.012 0.000 2.728 465 R HA 0.437 4.777 4.340 -0.000 0.000 0.274 465 R C -1.522 174.659 176.300 -0.198 0.000 1.032 465 R CA -0.638 55.458 56.100 -0.007 0.000 0.866 465 R CB 2.363 32.770 30.300 0.178 0.000 1.263 465 R HN 0.263 nan 8.270 nan 0.000 0.475 466 R N 2.690 122.994 120.500 -0.328 0.000 2.451 466 R HA 0.415 4.755 4.340 -0.000 0.000 0.307 466 R C -0.699 175.257 176.300 -0.573 0.000 0.965 466 R CA -0.584 55.130 56.100 -0.644 0.000 0.865 466 R CB 0.815 30.612 30.300 -0.837 0.000 1.174 466 R HN 0.333 nan 8.270 nan 0.000 0.455 467 I N 3.756 123.987 120.570 -0.565 0.000 2.331 467 I HA 0.169 4.339 4.170 -0.000 0.000 0.292 467 I C -0.316 175.572 176.117 -0.382 0.000 0.998 467 I CA -0.681 60.355 61.300 -0.439 0.000 1.267 467 I CB 1.530 39.303 38.000 -0.380 0.000 1.386 467 I HN 0.658 nan 8.210 nan 0.000 0.476 468 D N 5.938 126.150 120.400 -0.313 0.000 2.688 468 D HA 0.268 4.908 4.640 -0.000 0.000 0.228 468 D C -0.415 175.857 176.300 -0.045 0.000 1.116 468 D CA 0.389 54.341 54.000 -0.080 0.000 1.023 468 D CB 0.261 41.008 40.800 -0.088 0.000 1.100 468 D HN 0.086 nan 8.370 nan 0.000 0.487 469 V N 1.671 121.559 119.914 -0.042 0.000 2.733 469 V HA 0.208 4.328 4.120 -0.000 0.000 0.306 469 V C -0.080 176.010 176.094 -0.007 0.000 1.084 469 V CA -1.171 61.082 62.300 -0.078 0.000 0.905 469 V CB 2.161 33.870 31.823 -0.191 0.000 1.010 469 V HN 0.129 nan 8.190 nan 0.000 0.424 470 N N 3.794 122.499 118.700 0.008 0.000 2.739 470 N HA 0.375 5.115 4.740 -0.000 0.000 0.266 470 N C 0.094 175.629 175.510 0.043 0.000 1.168 470 N CA 0.050 53.107 53.050 0.012 0.000 1.055 470 N CB 0.698 39.181 38.487 -0.007 0.000 1.393 470 N HN 0.901 nan 8.380 nan 0.000 0.514 471 A N 2.769 125.617 122.820 0.046 0.000 2.401 471 A HA 0.164 4.484 4.320 -0.000 0.000 0.259 471 A C 1.344 179.009 177.584 0.134 0.000 1.103 471 A CA -0.455 51.611 52.037 0.048 0.000 0.789 471 A CB 0.441 19.400 19.000 -0.067 0.000 1.035 471 A HN 0.770 nan 8.150 nan 0.000 0.491 472 K N 0.497 120.964 120.400 0.112 0.000 2.137 472 K HA 0.006 4.326 4.320 -0.000 0.000 0.202 472 K C -0.203 176.544 176.600 0.245 0.000 1.052 472 K CA 1.481 57.865 56.287 0.161 0.000 0.961 472 K CB 0.137 32.705 32.500 0.112 0.000 0.741 472 K HN 0.835 nan 8.250 nan 0.000 0.452 473 D N -1.270 119.204 120.400 0.124 0.000 2.663 473 D HA 0.223 4.863 4.640 -0.000 0.000 0.233 473 D C -1.959 174.194 176.300 -0.245 0.000 1.240 473 D CA -0.622 53.434 54.000 0.094 0.000 0.774 473 D CB 2.161 43.099 40.800 0.231 0.000 1.443 473 D HN -0.149 nan 8.370 nan 0.000 0.441 474 V N 2.799 122.438 119.914 -0.458 0.000 2.540 474 V HA 0.605 4.725 4.120 -0.000 0.000 0.302 474 V C -0.188 175.952 176.094 0.077 0.000 1.035 474 V CA -0.561 61.546 62.300 -0.321 0.000 0.873 474 V CB 1.519 33.024 31.823 -0.530 0.000 0.992 474 V HN 0.496 nan 8.190 nan 0.000 0.428 475 I N 3.612 124.253 120.570 0.119 0.000 2.468 475 I HA 0.405 4.575 4.170 -0.000 0.000 0.285 475 I C -1.099 175.283 176.117 0.443 0.000 1.039 475 I CA -0.247 61.283 61.300 0.383 0.000 1.074 475 I CB 1.844 40.123 38.000 0.465 0.000 1.228 475 I HN 0.554 nan 8.210 nan 0.000 0.436 476 W N 4.534 126.067 121.300 0.387 0.000 2.449 476 W HA 0.476 5.136 4.660 -0.000 0.000 0.331 476 W C 0.922 177.496 176.519 0.093 0.000 1.119 476 W CA -0.220 57.236 57.345 0.185 0.000 1.240 476 W CB 1.425 30.955 29.460 0.117 0.000 1.251 476 W HN 0.484 nan 8.180 nan 0.000 0.576 477 S N -0.017 115.544 115.700 -0.232 0.000 2.608 477 S HA -0.046 4.424 4.470 -0.000 0.000 0.261 477 S C 0.864 175.518 174.600 0.090 0.000 1.314 477 S CA 0.179 58.189 58.200 -0.318 0.000 0.992 477 S CB 0.888 63.682 63.200 -0.676 0.000 0.935 477 S HN 0.613 nan 8.310 nan 0.000 0.564 478 D N 0.633 121.109 120.400 0.127 0.000 2.178 478 D HA -0.165 4.475 4.640 -0.000 0.000 0.202 478 D C 1.707 178.057 176.300 0.084 0.000 0.974 478 D CA 1.603 55.681 54.000 0.131 0.000 0.841 478 D CB -0.267 40.614 40.800 0.134 0.000 0.953 478 D HN 0.683 nan 8.370 nan 0.000 0.478 479 N N -0.491 118.241 118.700 0.054 0.000 2.446 479 N HA 0.001 4.741 4.740 -0.000 0.000 0.179 479 N C 1.497 177.047 175.510 0.066 0.000 1.054 479 N CA 1.095 54.172 53.050 0.044 0.000 0.905 479 N CB 0.015 38.516 38.487 0.022 0.000 0.973 479 N HN 0.280 nan 8.380 nan 0.000 0.448 480 G N 0.701 109.566 108.800 0.108 0.000 2.132 480 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.234 480 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.234 480 G C 0.519 175.613 174.900 0.324 0.000 0.989 480 G CA 0.409 45.631 45.100 0.202 0.000 0.676 480 G HN 0.499 nan 8.290 nan 0.000 0.522 481 E N -1.421 118.881 120.200 0.170 0.000 2.389 481 E HA 0.291 4.641 4.350 -0.000 0.000 0.199 481 E C 0.316 176.938 176.600 0.036 0.000 0.978 481 E CA 0.018 56.496 56.400 0.130 0.000 0.912 481 E CB 0.523 30.228 29.700 0.009 0.000 0.907 481 E HN 0.302 nan 8.360 nan 0.000 0.494 482 L N 1.105 122.234 121.223 -0.156 0.000 2.334 482 L HA 0.396 4.736 4.340 -0.000 0.000 0.276 482 L C -0.573 175.951 176.870 -0.577 0.000 1.014 482 L CA -0.954 53.619 54.840 -0.444 0.000 0.815 482 L CB 1.928 43.454 42.059 -0.889 0.000 1.268 482 L HN -0.242 nan 8.230 nan 0.000 0.428 483 V N 2.194 121.835 119.914 -0.456 0.000 2.971 483 V HA 0.649 4.769 4.120 -0.000 0.000 0.309 483 V C -0.748 175.331 176.094 -0.025 0.000 1.130 483 V CA -0.758 61.242 62.300 -0.499 0.000 0.964 483 V CB 1.989 33.115 31.823 -1.161 0.000 1.029 483 V HN 0.727 nan 8.190 nan 0.000 0.427 484 M N 4.758 124.384 119.600 0.043 0.000 2.134 484 M HA 0.625 5.105 4.480 -0.000 0.000 0.310 484 M C -1.470 174.727 176.300 -0.172 0.000 0.966 484 M CA -0.438 54.789 55.300 -0.122 0.000 0.922 484 M CB 1.186 33.424 32.600 -0.603 0.000 1.537 484 M HN 0.501 nan 8.290 nan 0.000 0.424 485 I N 6.810 127.303 120.570 -0.128 0.000 2.287 485 I HA 0.252 4.422 4.170 -0.000 0.000 0.290 485 I C -0.474 175.608 176.117 -0.059 0.000 1.069 485 I CA -0.538 60.702 61.300 -0.099 0.000 1.237 485 I CB 0.328 38.297 38.000 -0.052 0.000 1.418 485 I HN 0.400 nan 8.210 nan 0.000 0.481 486 V N 6.990 126.853 119.914 -0.086 0.000 2.470 486 V HA 0.115 4.235 4.120 -0.000 0.000 0.276 486 V C 0.889 176.981 176.094 -0.003 0.000 1.040 486 V CA -0.428 61.836 62.300 -0.060 0.000 1.008 486 V CB 0.513 32.331 31.823 -0.008 0.000 0.990 486 V HN 0.727 nan 8.190 nan 0.000 0.477 487 N N 3.140 121.843 118.700 0.005 0.000 2.483 487 N HA 0.125 4.865 4.740 -0.000 0.000 0.269 487 N C 0.993 176.525 175.510 0.037 0.000 1.209 487 N CA -0.337 52.747 53.050 0.056 0.000 0.969 487 N CB 1.372 39.915 38.487 0.093 0.000 1.173 487 N HN 0.654 nan 8.380 nan 0.000 0.475 488 T N 0.953 115.537 114.554 0.051 0.000 2.896 488 T HA -0.109 4.241 4.350 -0.000 0.000 0.263 488 T C 0.446 175.166 174.700 0.034 0.000 1.050 488 T CA 0.273 62.402 62.100 0.048 0.000 1.140 488 T CB -0.413 68.485 68.868 0.050 0.000 0.877 488 T HN 0.769 nan 8.240 nan 0.000 0.457 489 N N 2.355 121.074 118.700 0.030 0.000 2.664 489 N HA -0.186 4.554 4.740 -0.000 0.000 0.296 489 N C -0.647 174.875 175.510 0.019 0.000 1.153 489 N CA 0.542 53.603 53.050 0.018 0.000 0.765 489 N CB -0.376 38.108 38.487 -0.005 0.000 0.962 489 N HN 0.534 nan 8.380 nan 0.000 0.564 495 A N 0.645 123.390 122.820 -0.125 0.000 2.388 495 A HA 0.342 4.662 4.320 -0.000 0.000 0.257 495 A C 0.982 178.370 177.584 -0.327 0.000 1.095 495 A CA 0.404 52.250 52.037 -0.318 0.000 0.791 495 A CB 0.310 18.912 19.000 -0.663 0.000 1.029 495 A HN 0.625 nan 8.150 nan 0.000 0.489 496 S N 1.474 116.992 115.700 -0.303 0.000 2.481 496 S HA 0.367 4.837 4.470 -0.000 0.000 0.231 496 S C 0.826 175.242 174.600 -0.306 0.000 0.996 496 S CA 0.542 58.599 58.200 -0.239 0.000 0.942 496 S CB -0.295 62.784 63.200 -0.202 0.000 0.768 496 S HN 1.999 nan 8.310 nan 0.000 0.520 497 G N -0.730 107.769 108.800 -0.503 0.000 2.519 497 G HA2 0.523 4.483 3.960 -0.000 0.000 0.292 497 G HA3 0.523 4.483 3.960 -0.000 0.000 0.292 497 G C -2.125 172.376 174.900 -0.666 0.000 1.507 497 G CA -0.987 43.825 45.100 -0.480 0.000 0.806 497 G HN 0.154 nan 8.290 nan 0.000 0.523 498 Y N -0.342 119.844 120.300 -0.190 0.000 2.425 498 Y HA 0.679 5.229 4.550 -0.000 0.000 0.344 498 Y C 0.479 176.328 175.900 -0.085 0.000 0.969 498 Y CA -0.820 57.212 58.100 -0.112 0.000 1.052 498 Y CB 2.784 41.192 38.460 -0.087 0.000 1.215 498 Y HN 0.439 nan 8.280 nan 0.000 0.451 499 T N 5.008 119.673 114.554 0.184 0.000 2.794 499 T HA 0.710 5.060 4.350 -0.000 0.000 0.280 499 T C -0.591 174.213 174.700 0.175 0.000 0.987 499 T CA -0.572 61.665 62.100 0.228 0.000 0.993 499 T CB 0.234 69.374 68.868 0.453 0.000 0.939 499 T HN 0.380 nan 8.240 nan 0.000 0.449 500 L N 3.078 124.365 121.223 0.107 0.000 2.354 500 L HA 0.688 5.028 4.340 -0.000 0.000 0.264 500 L C -1.055 175.871 176.870 0.094 0.000 1.008 500 L CA -1.341 53.564 54.840 0.108 0.000 0.819 500 L CB 1.890 44.026 42.059 0.128 0.000 1.339 500 L HN 0.367 nan 8.230 nan 0.000 0.420 501 L N 1.608 122.894 121.223 0.104 0.000 2.307 501 L HA 0.547 4.887 4.340 -0.000 0.000 0.284 501 L C -1.092 175.785 176.870 0.012 0.000 1.023 501 L CA -0.064 54.796 54.840 0.035 0.000 0.810 501 L CB 1.377 43.432 42.059 -0.007 0.000 1.231 501 L HN 0.380 nan 8.230 nan 0.000 0.423 502 F N 5.130 124.929 119.950 -0.250 0.000 2.404 502 F HA 0.412 4.939 4.527 -0.000 0.000 0.354 502 F C 0.004 175.610 175.800 -0.323 0.000 1.122 502 F CA -0.671 57.008 58.000 -0.536 0.000 1.080 502 F CB 0.707 39.471 39.000 -0.393 0.000 1.131 502 F HN 0.689 nan 8.300 nan 0.000 0.471 503 N N 6.211 124.379 118.700 -0.886 0.000 2.678 503 N HA 0.105 4.845 4.740 -0.000 0.000 0.231 503 N C 1.031 175.934 175.510 -1.012 0.000 1.038 503 N CA -0.238 52.383 53.050 -0.715 0.000 0.932 503 N CB 0.561 38.828 38.487 -0.367 0.000 1.176 503 N HN 0.831 nan 8.380 nan 0.000 0.511 504 K N 2.599 122.333 120.400 -1.109 0.000 2.063 504 K HA -0.153 4.167 4.320 -0.000 0.000 0.208 504 K C 0.387 176.829 176.600 -0.264 0.000 1.048 504 K CA 1.477 57.330 56.287 -0.724 0.000 0.928 504 K CB 0.191 32.500 32.500 -0.319 0.000 0.713 504 K HN 0.576 nan 8.250 nan 0.000 0.442 505 D N 0.248 120.505 120.400 -0.237 0.000 2.263 505 D HA -0.133 4.507 4.640 -0.000 0.000 0.208 505 D C 1.600 177.818 176.300 -0.137 0.000 0.971 505 D CA 1.037 54.947 54.000 -0.151 0.000 0.867 505 D CB 0.057 40.781 40.800 -0.128 0.000 0.929 505 D HN 0.371 nan 8.370 nan 0.000 0.492 506 A N 0.363 123.090 122.820 -0.156 0.000 1.898 506 A HA -0.162 4.158 4.320 -0.000 0.000 0.214 506 A C 2.113 179.678 177.584 -0.031 0.000 1.183 506 A CA 0.784 52.763 52.037 -0.097 0.000 0.622 506 A CB -0.756 18.180 19.000 -0.107 0.000 0.824 506 A HN 0.296 nan 8.150 nan 0.000 0.444 507 Y N 0.883 121.109 120.300 -0.122 0.000 2.133 507 Y HA -0.139 4.411 4.550 -0.000 0.000 0.287 507 Y C 1.834 177.725 175.900 -0.014 0.000 1.134 507 Y CA 1.731 59.817 58.100 -0.023 0.000 1.133 507 Y CB -0.647 37.848 38.460 0.058 0.000 0.987 507 Y HN 0.179 nan 8.280 nan 0.000 0.502 508 L N 0.249 121.205 121.223 -0.444 0.000 2.042 508 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 508 L C 2.541 179.231 176.870 -0.300 0.000 1.076 508 L CA 1.960 56.497 54.840 -0.506 0.000 0.749 508 L CB -0.707 41.200 42.059 -0.254 0.000 0.893 508 L HN 0.231 nan 8.230 nan 0.000 0.432 509 E N 0.388 120.477 120.200 -0.184 0.000 2.118 509 E HA -0.220 4.130 4.350 -0.000 0.000 0.195 509 E C 2.108 178.642 176.600 -0.110 0.000 0.992 509 E CA 1.469 57.797 56.400 -0.121 0.000 0.804 509 E CB -0.053 29.595 29.700 -0.087 0.000 0.741 509 E HN 0.409 nan 8.360 nan 0.000 0.458 510 A N 0.501 123.255 122.820 -0.110 0.000 1.897 510 A HA 0.059 4.379 4.320 -0.000 0.000 0.215 510 A C 2.395 179.927 177.584 -0.087 0.000 1.181 510 A CA 1.623 53.622 52.037 -0.063 0.000 0.620 510 A CB -0.832 18.171 19.000 0.005 0.000 0.821 510 A HN 0.373 nan 8.150 nan 0.000 0.443 511 A N -0.114 122.589 122.820 -0.196 0.000 2.015 511 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 511 A C 1.958 179.468 177.584 -0.123 0.000 1.163 511 A CA 1.567 53.497 52.037 -0.178 0.000 0.646 511 A CB -0.772 18.004 19.000 -0.373 0.000 0.806 511 A HN 0.711 nan 8.150 nan 0.000 0.448 512 N N -0.299 118.321 118.700 -0.133 0.000 2.142 512 N HA -0.141 4.599 4.740 -0.000 0.000 0.186 512 N C 1.559 177.034 175.510 -0.058 0.000 1.023 512 N CA 1.284 54.281 53.050 -0.089 0.000 0.852 512 N CB -0.191 38.243 38.487 -0.089 0.000 0.998 512 N HN 0.682 nan 8.380 nan 0.000 0.424 513 N N -0.261 118.407 118.700 -0.054 0.000 2.244 513 N HA -0.055 4.685 4.740 -0.000 0.000 0.183 513 N C 0.851 176.346 175.510 -0.026 0.000 1.016 513 N CA 0.694 53.723 53.050 -0.035 0.000 0.866 513 N CB -0.007 38.462 38.487 -0.030 0.000 0.980 513 N HN 0.313 nan 8.380 nan 0.000 0.430 514 G N 1.682 110.467 108.800 -0.026 0.000 2.160 514 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.244 514 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.244 514 G C -0.005 174.893 174.900 -0.004 0.000 1.022 514 G CA 0.360 45.452 45.100 -0.013 0.000 0.741 514 G HN 0.588 nan 8.290 nan 0.000 0.508 515 N N -0.200 118.499 118.700 -0.002 0.000 2.416 515 N HA 0.226 4.966 4.740 -0.000 0.000 0.267 515 N C 0.228 175.746 175.510 0.013 0.000 1.294 515 N CA -0.655 52.397 53.050 0.003 0.000 0.891 515 N CB 0.040 38.526 38.487 -0.002 0.000 1.238 515 N HN 0.395 nan 8.380 nan 0.000 0.508 516 I N 1.000 121.586 120.570 0.025 0.000 2.533 516 I HA -0.026 4.144 4.170 -0.000 0.000 0.284 516 I C 0.614 176.751 176.117 0.032 0.000 1.109 516 I CA -0.136 61.190 61.300 0.044 0.000 1.412 516 I CB 0.537 38.585 38.000 0.080 0.000 1.396 516 I HN 0.139 nan 8.210 nan 0.000 0.543 517 D N 7.119 127.534 120.400 0.024 0.000 2.382 517 D HA -0.083 4.557 4.640 -0.000 0.000 0.259 517 D C 0.640 176.947 176.300 0.012 0.000 1.224 517 D CA -0.230 53.776 54.000 0.011 0.000 0.894 517 D CB 0.904 41.703 40.800 -0.002 0.000 1.127 517 D HN 0.568 nan 8.370 nan 0.000 0.487 518 D N 1.857 122.263 120.400 0.010 0.000 2.378 518 D HA -0.136 4.504 4.640 -0.000 0.000 0.227 518 D C 1.164 177.464 176.300 -0.001 0.000 1.012 518 D CA 0.331 54.337 54.000 0.011 0.000 0.905 518 D CB 0.260 41.063 40.800 0.005 0.000 0.895 518 D HN 0.201 nan 8.370 nan 0.000 0.532 519 S N -0.352 115.343 115.700 -0.008 0.000 2.506 519 S HA 0.058 4.528 4.470 -0.000 0.000 0.230 519 S C 1.315 175.899 174.600 -0.026 0.000 1.066 519 S CA 0.020 58.214 58.200 -0.011 0.000 0.940 519 S CB 0.086 63.272 63.200 -0.023 0.000 0.818 519 S HN 0.211 nan 8.310 nan 0.000 0.518 520 E N 0.345 120.507 120.200 -0.062 0.000 2.562 520 E HA 0.345 4.695 4.350 -0.000 0.000 0.214 520 E C 0.928 177.475 176.600 -0.089 0.000 0.979 520 E CA 0.122 56.444 56.400 -0.130 0.000 1.002 520 E CB 1.134 30.746 29.700 -0.147 0.000 1.048 520 E HN 0.562 nan 8.360 nan 0.000 0.488 521 G N 1.370 110.152 108.800 -0.030 0.000 2.539 521 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.256 521 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.256 521 G C -0.053 174.875 174.900 0.047 0.000 1.233 521 G CA -0.236 44.871 45.100 0.013 0.000 0.936 521 G HN 0.100 nan 8.290 nan 0.000 0.571 522 V N 2.161 122.138 119.914 0.104 0.000 2.353 522 V HA 0.256 4.376 4.120 -0.000 0.000 0.264 522 V C 1.552 177.719 176.094 0.122 0.000 1.049 522 V CA 0.785 63.159 62.300 0.122 0.000 0.896 522 V CB 1.100 33.037 31.823 0.190 0.000 1.025 522 V HN 0.817 nan 8.190 nan 0.000 0.475 523 D N 4.347 124.789 120.400 0.068 0.000 2.133 523 D HA -0.204 4.436 4.640 -0.000 0.000 0.195 523 D C 1.769 178.119 176.300 0.083 0.000 0.997 523 D CA 1.732 55.767 54.000 0.059 0.000 0.840 523 D CB 0.473 41.284 40.800 0.018 0.000 0.947 523 D HN 0.804 nan 8.370 nan 0.000 0.452 524 E N 0.475 120.711 120.200 0.061 0.000 2.478 524 E HA -0.049 4.301 4.350 -0.000 0.000 0.198 524 E C 1.808 178.425 176.600 0.029 0.000 1.046 524 E CA 0.474 56.895 56.400 0.035 0.000 0.870 524 E CB -0.197 29.506 29.700 0.005 0.000 0.818 524 E HN 0.248 nan 8.360 nan 0.000 0.527 525 A N 0.616 123.490 122.820 0.091 0.000 2.067 525 A HA 0.067 4.387 4.320 -0.000 0.000 0.219 525 A C 0.455 177.954 177.584 -0.142 0.000 1.158 525 A CA 0.609 52.662 52.037 0.027 0.000 0.661 525 A CB -0.215 18.927 19.000 0.237 0.000 0.801 525 A HN 0.182 nan 8.150 nan 0.000 0.452 526 F N -0.637 119.363 119.950 0.083 0.000 2.576 526 F HA 0.441 4.968 4.527 -0.000 0.000 0.313 526 F C -0.949 174.852 175.800 0.002 0.000 1.078 526 F CA -1.111 56.927 58.000 0.063 0.000 0.921 526 F CB 1.978 41.000 39.000 0.036 0.000 1.232 526 F HN -0.049 nan 8.300 nan 0.000 0.459 527 D N 2.121 122.622 120.400 0.167 0.000 2.492 527 D HA 0.310 4.950 4.640 -0.000 0.000 0.248 527 D C -0.899 175.441 176.300 0.066 0.000 1.101 527 D CA -0.276 53.765 54.000 0.068 0.000 0.840 527 D CB 2.812 43.615 40.800 0.006 0.000 1.209 527 D HN 0.102 nan 8.370 nan 0.000 0.524 528 V N 3.949 123.882 119.914 0.031 0.000 2.352 528 V HA -0.029 4.091 4.120 -0.000 0.000 0.253 528 V C 1.448 177.523 176.094 -0.030 0.000 1.083 528 V CA -0.206 62.107 62.300 0.021 0.000 0.993 528 V CB 0.225 32.053 31.823 0.010 0.000 1.111 528 V HN 0.408 nan 8.190 nan 0.000 0.490 529 L N 5.274 126.472 121.223 -0.042 0.000 1.938 529 L HA 0.086 4.426 4.340 -0.000 0.000 0.212 529 L C 0.422 177.045 176.870 -0.412 0.000 1.085 529 L CA 1.687 56.377 54.840 -0.249 0.000 0.760 529 L CB -0.637 41.368 42.059 -0.091 0.000 0.888 529 L HN 0.520 nan 8.230 nan 0.000 0.433 530 Y N -1.982 118.422 120.300 0.173 0.000 2.634 530 Y HA 0.495 5.045 4.550 0.000 0.000 0.340 530 Y C -0.352 175.641 175.900 0.155 0.000 1.058 530 Y CA -1.408 56.816 58.100 0.206 0.000 1.081 530 Y CB 1.211 39.881 38.460 0.350 0.000 1.295 530 Y HN 0.148 nan 8.280 nan 0.000 0.487 531 E N 1.286 121.638 120.200 0.252 0.000 2.283 531 E HA 0.449 4.799 4.350 -0.000 0.000 0.258 531 E C -1.733 174.740 176.600 -0.211 0.000 0.893 531 E CA -0.592 55.755 56.400 -0.088 0.000 0.798 531 E CB 1.662 31.270 29.700 -0.152 0.000 1.242 531 E HN 0.592 nan 8.360 nan 0.000 0.414 532 L N 2.308 123.234 121.223 -0.495 0.000 2.475 532 L HA 0.189 4.529 4.340 -0.000 0.000 0.250 532 L C 0.946 177.577 176.870 -0.398 0.000 1.224 532 L CA 0.533 54.999 54.840 -0.624 0.000 0.821 532 L CB 1.042 42.492 42.059 -1.015 0.000 1.141 532 L HN 0.943 nan 8.230 nan 0.000 0.494 533 S N -1.831 113.692 115.700 -0.295 0.000 2.691 533 S HA 0.187 4.657 4.470 -0.000 0.000 0.258 533 S C 0.305 174.824 174.600 -0.134 0.000 1.078 533 S CA -0.607 57.480 58.200 -0.189 0.000 1.000 533 S CB 0.109 63.239 63.200 -0.117 0.000 0.942 533 S HN 0.604 nan 8.310 nan 0.000 0.521 534 E N 3.396 123.536 120.200 -0.099 0.000 2.373 534 E HA 0.298 4.647 4.350 -0.000 0.000 0.267 534 E C 0.027 176.629 176.600 0.003 0.000 1.032 534 E CA 0.006 56.409 56.400 0.005 0.000 0.889 534 E CB 0.892 30.678 29.700 0.145 0.000 0.984 534 E HN 0.602 nan 8.360 nan 0.000 0.425 535 S N 2.819 118.533 115.700 0.024 0.000 2.559 535 S HA 0.073 4.543 4.470 -0.000 0.000 0.282 535 S C 0.204 174.856 174.600 0.086 0.000 1.336 535 S CA -0.333 57.880 58.200 0.023 0.000 1.037 535 S CB 0.414 63.628 63.200 0.023 0.000 0.853 535 S HN 0.333 nan 8.310 nan 0.000 0.523 536 I N 2.898 123.501 120.570 0.055 0.000 2.410 536 I HA 0.240 4.410 4.170 -0.000 0.000 0.286 536 I C 1.130 177.313 176.117 0.110 0.000 1.009 536 I CA -0.492 60.878 61.300 0.117 0.000 1.111 536 I CB 0.747 38.768 38.000 0.035 0.000 1.262 536 I HN 1.029 nan 8.210 nan 0.000 0.443 537 T N 0.600 115.221 114.554 0.112 0.000 2.990 537 T HA 0.215 4.565 4.350 -0.000 0.000 0.250 537 T C 0.576 175.366 174.700 0.150 0.000 1.041 537 T CA 0.254 62.415 62.100 0.101 0.000 1.010 537 T CB 0.279 69.154 68.868 0.011 0.000 1.003 537 T HN 0.675 nan 8.240 nan 0.000 0.499 538 S N -1.187 114.595 115.700 0.136 0.000 2.611 538 S HA 0.679 5.149 4.470 -0.000 0.000 0.270 538 S C -0.784 173.865 174.600 0.081 0.000 1.131 538 S CA -0.340 57.950 58.200 0.150 0.000 0.826 538 S CB 1.294 64.595 63.200 0.168 0.000 1.095 538 S HN 1.188 nan 8.310 nan 0.000 0.461 539 G N 0.548 109.374 108.800 0.044 0.000 2.596 539 G HA2 0.571 4.531 3.960 -0.000 0.000 0.296 539 G HA3 0.571 4.531 3.960 -0.000 0.000 0.296 539 G C -2.352 172.457 174.900 -0.152 0.000 1.513 539 G CA -0.788 44.158 45.100 -0.257 0.000 0.851 539 G HN 0.628 nan 8.290 nan 0.000 0.548 540 K N -0.119 120.098 120.400 -0.304 0.000 2.426 540 K HA 0.661 4.981 4.320 -0.000 0.000 0.251 540 K C -1.449 175.125 176.600 -0.043 0.000 0.941 540 K CA -0.574 55.711 56.287 -0.002 0.000 0.808 540 K CB 1.685 34.245 32.500 0.101 0.000 1.265 540 K HN 0.513 nan 8.250 nan 0.000 0.432 541 W N 1.728 123.165 121.300 0.228 0.000 2.365 541 W HA 0.489 5.149 4.660 -0.000 0.000 0.316 541 W C -0.402 176.189 176.519 0.120 0.000 1.164 541 W CA -0.539 56.954 57.345 0.247 0.000 1.204 541 W CB 1.206 30.839 29.460 0.287 0.000 1.213 541 W HN 0.008 nan 8.180 nan 0.000 0.539 542 V N 4.939 125.026 119.914 0.288 0.000 2.380 542 V HA 0.600 4.720 4.120 -0.000 0.000 0.272 542 V C 0.661 176.818 176.094 0.105 0.000 1.011 542 V CA 0.144 62.487 62.300 0.071 0.000 0.826 542 V CB 0.340 32.031 31.823 -0.220 0.000 1.040 542 V HN 1.001 nan 8.190 nan 0.000 0.441 543 G N 4.863 113.757 108.800 0.156 0.000 2.509 543 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.256 543 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.256 543 G C 0.097 175.131 174.900 0.223 0.000 1.152 543 G CA 0.404 45.580 45.100 0.126 0.000 0.951 543 G HN 0.553 nan 8.290 nan 0.000 0.559 544 D N 0.625 121.147 120.400 0.202 0.000 2.427 544 D HA 0.426 5.066 4.640 -0.000 0.000 0.224 544 D C 0.374 176.945 176.300 0.451 0.000 1.157 544 D CA 0.246 54.420 54.000 0.289 0.000 0.828 544 D CB 0.800 41.688 40.800 0.147 0.000 0.974 544 D HN 0.381 nan 8.370 nan 0.000 0.498 545 V N 1.264 121.422 119.914 0.407 0.000 2.435 545 V HA 0.324 4.444 4.120 -0.000 0.000 0.290 545 V C -0.492 175.793 176.094 0.319 0.000 1.030 545 V CA -1.005 61.477 62.300 0.304 0.000 0.881 545 V CB 1.908 33.783 31.823 0.088 0.000 0.983 545 V HN 0.005 nan 8.190 nan 0.000 0.445 546 F N 6.149 126.099 119.950 0.001 0.000 2.334 546 F HA 0.556 5.083 4.527 0.000 0.000 0.367 546 F C -0.053 175.804 175.800 0.096 0.000 1.115 546 F CA -0.807 57.005 58.000 -0.313 0.000 1.116 546 F CB 0.560 39.131 39.000 -0.716 0.000 1.230 546 F HN 0.273 nan 8.300 nan 0.000 0.484 547 I N 8.042 128.389 120.570 -0.373 0.000 2.371 547 I HA 0.229 4.399 4.170 -0.000 0.000 0.290 547 I C -0.341 175.514 176.117 -0.435 0.000 1.028 547 I CA -0.444 60.725 61.300 -0.219 0.000 1.345 547 I CB -0.036 37.872 38.000 -0.154 0.000 1.407 547 I HN 0.525 nan 8.210 nan 0.000 0.501 548 F N 2.258 121.939 119.950 -0.448 0.000 2.601 548 F HA 0.664 5.191 4.527 0.000 0.000 0.309 548 F C -0.274 175.400 175.800 -0.211 0.000 1.089 548 F CA -0.847 56.911 58.000 -0.403 0.000 0.940 548 F CB 1.375 40.166 39.000 -0.347 0.000 1.273 548 F HN 0.200 nan 8.300 nan 0.000 0.450 549 T N 1.607 116.103 114.554 -0.097 0.000 2.882 549 T HA 0.439 4.789 4.350 -0.000 0.000 0.287 549 T C -0.335 174.323 174.700 -0.069 0.000 0.992 549 T CA -0.204 61.793 62.100 -0.172 0.000 1.076 549 T CB 1.530 70.288 68.868 -0.185 0.000 0.961 549 T HN 0.800 nan 8.240 nan 0.000 0.490 550 T N 0.881 115.353 114.554 -0.138 0.000 2.950 550 T HA 0.550 4.900 4.350 -0.000 0.000 0.288 550 T C 1.352 176.009 174.700 -0.072 0.000 1.035 550 T CA -0.301 61.768 62.100 -0.052 0.000 1.028 550 T CB 1.025 69.838 68.868 -0.093 0.000 1.109 550 T HN 0.585 nan 8.240 nan 0.000 0.514 551 A N 1.143 123.946 122.820 -0.028 0.000 2.067 551 A HA 0.017 4.337 4.320 -0.000 0.000 0.219 551 A C 1.901 179.462 177.584 -0.037 0.000 1.158 551 A CA 1.792 53.811 52.037 -0.029 0.000 0.661 551 A CB -0.808 18.194 19.000 0.003 0.000 0.801 551 A HN 0.867 nan 8.150 nan 0.000 0.452 552 T N -2.880 111.647 114.554 -0.045 0.000 3.278 552 T HA 0.182 4.532 4.350 -0.000 0.000 0.251 552 T C 0.252 174.917 174.700 -0.058 0.000 1.039 552 T CA 0.224 62.300 62.100 -0.039 0.000 0.935 552 T CB -1.299 67.550 68.868 -0.032 0.000 1.034 552 T HN 0.630 nan 8.240 nan 0.000 0.575 553 N N 0.501 119.153 118.700 -0.081 0.000 2.735 553 N HA -0.186 4.554 4.740 -0.000 0.000 0.248 553 N C -0.122 175.340 175.510 -0.080 0.000 1.083 553 N CA 0.095 53.098 53.050 -0.078 0.000 0.703 553 N CB -0.784 37.686 38.487 -0.029 0.000 1.005 553 N HN 0.591 nan 8.380 nan 0.000 0.550 554 R N 0.834 121.230 120.500 -0.172 0.000 2.732 554 R HA 0.613 4.953 4.340 -0.000 0.000 0.278 554 R C -1.138 174.977 176.300 -0.308 0.000 0.976 554 R CA -0.733 55.180 56.100 -0.310 0.000 0.963 554 R CB 0.980 31.034 30.300 -0.410 0.000 1.150 554 R HN 0.125 nan 8.270 nan 0.000 0.478 555 L N 4.147 125.163 121.223 -0.344 0.000 2.316 555 L HA 0.499 4.839 4.340 -0.000 0.000 0.280 555 L C -1.472 175.114 176.870 -0.475 0.000 1.006 555 L CA -0.213 54.414 54.840 -0.356 0.000 0.836 555 L CB 1.120 43.061 42.059 -0.197 0.000 1.221 555 L HN 0.668 nan 8.230 nan 0.000 0.418 556 N N 3.475 121.757 118.700 -0.697 0.000 2.701 556 N HA 0.578 5.318 4.740 -0.000 0.000 0.290 556 N C -1.642 173.607 175.510 -0.435 0.000 1.338 556 N CA -0.285 52.365 53.050 -0.665 0.000 0.799 556 N CB 1.840 39.763 38.487 -0.941 0.000 1.491 556 N HN 0.515 nan 8.380 nan 0.000 0.540 557 Y N -1.688 118.540 120.300 -0.121 0.000 2.513 557 Y HA 0.681 5.231 4.550 -0.000 0.000 0.340 557 Y C -1.830 174.349 175.900 0.465 0.000 1.055 557 Y CA -1.337 56.860 58.100 0.161 0.000 1.020 557 Y CB 0.877 39.353 38.460 0.026 0.000 1.301 557 Y HN 0.366 nan 8.280 nan 0.000 0.453 558 F N 4.327 124.560 119.950 0.470 0.000 2.458 558 F HA 0.815 5.342 4.527 -0.000 0.000 0.336 558 F C -1.471 174.486 175.800 0.262 0.000 1.114 558 F CA -1.402 56.774 58.000 0.294 0.000 0.987 558 F CB 1.626 40.740 39.000 0.189 0.000 1.130 558 F HN 0.473 nan 8.300 nan 0.000 0.458 559 V N 4.111 123.847 119.914 -0.297 0.000 2.655 559 V HA 0.502 4.622 4.120 -0.000 0.000 0.301 559 V C 0.311 176.089 176.094 -0.528 0.000 1.082 559 V CA -0.893 61.249 62.300 -0.263 0.000 0.899 559 V CB 1.026 32.864 31.823 0.025 0.000 1.014 559 V HN 1.127 nan 8.190 nan 0.000 0.429 560 G N 2.801 111.261 108.800 -0.568 0.000 2.421 560 G HA2 0.116 4.076 3.960 -0.000 0.000 0.300 560 G HA3 0.116 4.076 3.960 -0.000 0.000 0.300 560 G C 1.317 175.394 174.900 -1.372 0.000 0.974 560 G CA 1.138 45.829 45.100 -0.682 0.000 1.062 560 G HN 2.615 nan 8.290 nan 0.000 0.514 561 G N -1.558 106.013 108.800 -2.050 0.000 2.179 561 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.260 561 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.260 561 G C 0.488 175.191 174.900 -0.329 0.000 0.977 561 G CA 1.101 45.517 45.100 -1.141 0.000 0.641 561 G HN 0.944 nan 8.290 nan 0.000 0.533 562 K N 0.740 120.908 120.400 -0.386 0.000 2.123 562 K HA 0.722 5.042 4.320 -0.000 0.000 0.259 562 K C -0.331 176.289 176.600 0.033 0.000 0.960 562 K CA -0.268 55.960 56.287 -0.097 0.000 0.872 562 K CB 1.664 34.215 32.500 0.084 0.000 1.079 562 K HN 0.110 nan 8.250 nan 0.000 0.440 563 T N 2.233 116.693 114.554 -0.157 0.000 2.848 563 T HA 0.544 4.894 4.350 -0.000 0.000 0.285 563 T C -1.095 173.286 174.700 -0.533 0.000 0.995 563 T CA -0.565 61.496 62.100 -0.065 0.000 0.970 563 T CB 0.382 69.300 68.868 0.083 0.000 0.976 563 T HN 0.258 nan 8.240 nan 0.000 0.441 564 Y N 1.587 121.638 120.300 -0.416 0.000 2.425 564 Y HA 0.510 5.060 4.550 -0.000 0.000 0.344 564 Y C 0.307 175.929 175.900 -0.462 0.000 0.969 564 Y CA -1.324 56.479 58.100 -0.495 0.000 1.052 564 Y CB 1.521 39.517 38.460 -0.773 0.000 1.215 564 Y HN 0.565 nan 8.280 nan 0.000 0.451 565 N N 1.755 120.383 118.700 -0.120 0.000 2.524 565 N HA 0.373 5.113 4.740 -0.000 0.000 0.283 565 N C -0.232 175.237 175.510 -0.069 0.000 1.142 565 N CA -0.055 52.907 53.050 -0.147 0.000 0.984 565 N CB 0.776 39.212 38.487 -0.085 0.000 1.155 565 N HN 0.757 nan 8.380 nan 0.000 0.467 566 L N 0.835 121.947 121.223 -0.185 0.000 2.624 566 L HA 0.583 4.923 4.340 -0.000 0.000 0.222 566 L C 0.247 176.890 176.870 -0.378 0.000 1.046 566 L CA -0.014 54.662 54.840 -0.273 0.000 0.872 566 L CB 0.105 41.840 42.059 -0.540 0.000 1.190 566 L HN 0.638 nan 8.230 nan 0.000 0.487 567 A N -1.498 121.087 122.820 -0.392 0.000 2.601 567 A HA 0.577 4.897 4.320 -0.000 0.000 0.291 567 A C -1.536 175.783 177.584 -0.442 0.000 1.075 567 A CA -0.475 51.343 52.037 -0.364 0.000 0.671 567 A CB 0.950 19.586 19.000 -0.606 0.000 1.277 567 A HN 0.164 nan 8.150 nan 0.000 0.417 568 H N 0.853 119.674 119.070 -0.415 0.000 2.866 568 H HA 0.342 4.898 4.556 -0.000 0.000 0.287 568 H C -1.259 173.858 175.328 -0.352 0.000 1.106 568 H CA 0.110 55.988 56.048 -0.284 0.000 1.396 568 H CB 0.636 30.294 29.762 -0.173 0.000 1.469 568 H HN 0.623 nan 8.280 nan 0.000 0.500 569 Y N 0.935 121.185 120.300 -0.083 0.000 2.281 569 Y HA -0.066 4.484 4.550 -0.000 0.000 0.337 569 Y C 2.175 178.029 175.900 -0.077 0.000 1.304 569 Y CA 0.162 58.197 58.100 -0.108 0.000 1.465 569 Y CB 0.972 39.309 38.460 -0.205 0.000 1.350 569 Y HN 0.513 nan 8.280 nan 0.000 0.575 570 T N -2.646 111.977 114.554 0.116 0.000 3.067 570 T HA 0.172 4.522 4.350 -0.000 0.000 0.257 570 T C -0.144 174.573 174.700 0.029 0.000 1.105 570 T CA 0.207 62.340 62.100 0.054 0.000 1.104 570 T CB -0.247 68.655 68.868 0.056 0.000 0.925 570 T HN 0.621 nan 8.240 nan 0.000 0.498 571 K N 0.078 120.481 120.400 0.005 0.000 2.548 571 K HA 0.503 4.823 4.320 -0.000 0.000 0.282 571 K C -1.467 175.073 176.600 -0.100 0.000 1.006 571 K CA -1.121 55.148 56.287 -0.029 0.000 0.892 571 K CB 1.186 33.681 32.500 -0.008 0.000 1.499 571 K HN -0.044 nan 8.250 nan 0.000 0.433 572 E N 1.215 121.352 120.200 -0.105 0.000 2.608 572 E HA -0.045 4.305 4.350 -0.000 0.000 0.259 572 E C -0.401 175.967 176.600 -0.387 0.000 0.951 572 E CA 0.602 56.864 56.400 -0.229 0.000 0.945 572 E CB 0.351 29.975 29.700 -0.126 0.000 0.916 572 E HN 0.229 nan 8.360 nan 0.000 0.477 573 M N 2.488 121.716 119.600 -0.620 0.000 2.644 573 M HA 0.407 4.887 4.480 -0.000 0.000 0.304 573 M C -1.159 174.597 176.300 -0.907 0.000 1.215 573 M CA -0.716 54.204 55.300 -0.633 0.000 0.871 573 M CB 1.464 33.692 32.600 -0.620 0.000 1.740 573 M HN 0.392 nan 8.290 nan 0.000 0.464 574 Y N 0.763 120.990 120.300 -0.121 0.000 2.386 574 Y HA 0.495 5.045 4.550 -0.000 0.000 0.334 574 Y C -0.306 175.574 175.900 -0.034 0.000 1.002 574 Y CA -0.639 57.430 58.100 -0.051 0.000 1.068 574 Y CB 1.554 40.004 38.460 -0.017 0.000 1.203 574 Y HN 0.498 nan 8.280 nan 0.000 0.443 575 L N 3.729 125.009 121.223 0.095 0.000 2.410 575 L HA 0.020 4.360 4.340 -0.000 0.000 0.273 575 L C 0.253 177.208 176.870 0.142 0.000 1.152 575 L CA 0.020 54.909 54.840 0.082 0.000 0.855 575 L CB 0.661 42.743 42.059 0.038 0.000 1.129 575 L HN 0.735 nan 8.230 nan 0.000 0.463 576 L N 2.861 124.177 121.223 0.155 0.000 2.286 576 L HA 0.456 4.796 4.340 -0.000 0.000 0.203 576 L C 0.887 177.859 176.870 0.170 0.000 1.068 576 L CA 0.777 55.715 54.840 0.164 0.000 0.811 576 L CB -0.491 41.665 42.059 0.161 0.000 0.989 576 L HN 0.771 nan 8.230 nan 0.000 0.467 577 G N -2.635 106.286 108.800 0.201 0.000 2.337 577 G HA2 0.174 4.134 3.960 -0.000 0.000 0.298 577 G HA3 0.174 4.134 3.960 -0.000 0.000 0.298 577 G C -2.197 172.884 174.900 0.301 0.000 1.335 577 G CA -0.614 44.618 45.100 0.219 0.000 0.875 577 G HN -0.181 nan 8.290 nan 0.000 0.579 578 Y N 0.086 120.480 120.300 0.156 0.000 2.377 578 Y HA 0.786 5.336 4.550 -0.000 0.000 0.339 578 Y C -0.376 175.617 175.900 0.155 0.000 1.011 578 Y CA -1.166 57.032 58.100 0.164 0.000 1.093 578 Y CB 1.580 40.107 38.460 0.112 0.000 1.201 578 Y HN 0.459 nan 8.280 nan 0.000 0.455 579 L N 6.949 127.905 121.223 -0.446 0.000 2.353 579 L HA 0.445 4.785 4.340 -0.000 0.000 0.270 579 L C 0.873 177.430 176.870 -0.522 0.000 1.003 579 L CA -0.595 54.073 54.840 -0.286 0.000 0.862 579 L CB 1.609 43.607 42.059 -0.102 0.000 1.221 579 L HN 0.949 nan 8.230 nan 0.000 0.430 580 A N 3.208 125.879 122.820 -0.248 0.000 2.076 580 A HA -0.184 4.136 4.320 -0.000 0.000 0.220 580 A C 2.293 179.848 177.584 -0.048 0.000 1.160 580 A CA 1.468 53.483 52.037 -0.036 0.000 0.653 580 A CB -0.376 18.728 19.000 0.173 0.000 0.801 580 A HN 0.858 nan 8.150 nan 0.000 0.455 581 R N -0.221 120.244 120.500 -0.058 0.000 2.073 581 R HA -0.150 4.190 4.340 -0.000 0.000 0.234 581 R C 0.617 176.898 176.300 -0.032 0.000 1.134 581 R CA 1.886 57.969 56.100 -0.029 0.000 0.952 581 R CB -0.204 30.080 30.300 -0.027 0.000 0.850 581 R HN 0.459 nan 8.270 nan 0.000 0.433 582 D N -0.358 120.012 120.400 -0.051 0.000 2.360 582 D HA -0.053 4.587 4.640 -0.000 0.000 0.210 582 D C 0.131 176.393 176.300 -0.064 0.000 1.047 582 D CA 0.113 54.103 54.000 -0.017 0.000 0.854 582 D CB -0.078 40.773 40.800 0.084 0.000 0.936 582 D HN 0.274 nan 8.370 nan 0.000 0.514 583 N N 0.862 119.476 118.700 -0.143 0.000 2.725 583 N HA -0.189 4.551 4.740 -0.000 0.000 0.249 583 N C -0.770 174.688 175.510 -0.086 0.000 1.103 583 N CA 0.817 53.817 53.050 -0.084 0.000 0.707 583 N CB -0.640 37.863 38.487 0.027 0.000 1.043 583 N HN 0.329 nan 8.380 nan 0.000 0.553 584 K N -0.396 119.843 120.400 -0.269 0.000 2.395 584 K HA 0.592 4.912 4.320 -0.000 0.000 0.247 584 K C -0.790 175.706 176.600 -0.173 0.000 0.973 584 K CA -0.690 55.483 56.287 -0.191 0.000 0.828 584 K CB 2.782 35.058 32.500 -0.374 0.000 1.272 584 K HN -0.050 nan 8.250 nan 0.000 0.439 585 V N 2.429 122.340 119.914 -0.004 0.000 2.547 585 V HA 0.472 4.592 4.120 -0.000 0.000 0.299 585 V C -1.645 174.398 176.094 -0.086 0.000 1.040 585 V CA -0.410 61.986 62.300 0.160 0.000 0.913 585 V CB 0.797 32.762 31.823 0.236 0.000 0.992 585 V HN 0.555 nan 8.190 nan 0.000 0.449 586 Y N 5.901 126.263 120.300 0.102 0.000 2.393 586 Y HA 0.763 5.313 4.550 -0.000 0.000 0.341 586 Y C -0.197 175.741 175.900 0.063 0.000 0.988 586 Y CA -0.695 57.455 58.100 0.083 0.000 1.078 586 Y CB 1.816 40.308 38.460 0.054 0.000 1.203 586 Y HN 0.464 nan 8.280 nan 0.000 0.453 587 L N 1.960 123.286 121.223 0.172 0.000 2.283 587 L HA 0.992 5.332 4.340 -0.000 0.000 0.259 587 L C -0.628 176.310 176.870 0.113 0.000 1.027 587 L CA -1.177 53.697 54.840 0.056 0.000 0.828 587 L CB 1.862 43.815 42.059 -0.178 0.000 1.380 587 L HN 0.682 nan 8.230 nan 0.000 0.425 588 A N -0.401 122.463 122.820 0.073 0.000 2.549 588 A HA 0.728 5.048 4.320 -0.000 0.000 0.297 588 A C -1.692 175.968 177.584 0.127 0.000 1.061 588 A CA -0.580 51.531 52.037 0.122 0.000 0.690 588 A CB 1.280 20.323 19.000 0.072 0.000 1.287 588 A HN 0.765 nan 8.150 nan 0.000 0.402 589 D N -0.112 120.360 120.400 0.119 0.000 2.437 589 D HA 0.368 5.008 4.640 -0.000 0.000 0.259 589 D C 1.238 177.600 176.300 0.103 0.000 1.118 589 D CA -0.500 53.567 54.000 0.112 0.000 1.017 589 D CB 0.480 41.329 40.800 0.081 0.000 1.120 589 D HN 0.589 nan 8.370 nan 0.000 0.541 590 R N -0.057 120.516 120.500 0.121 0.000 2.139 590 R HA -0.159 4.181 4.340 -0.000 0.000 0.243 590 R C 0.964 177.209 176.300 -0.092 0.000 1.145 590 R CA 1.044 57.149 56.100 0.009 0.000 0.976 590 R CB -0.663 29.656 30.300 0.033 0.000 0.866 590 R HN 0.431 nan 8.270 nan 0.000 0.449 591 E N 0.890 120.995 120.200 -0.158 0.000 2.268 591 E HA -0.038 4.312 4.350 -0.000 0.000 0.195 591 E C 0.724 177.070 176.600 -0.422 0.000 0.995 591 E CA 1.003 57.212 56.400 -0.317 0.000 0.836 591 E CB 0.199 29.565 29.700 -0.556 0.000 0.763 591 E HN 0.266 nan 8.360 nan 0.000 0.491 592 V N 1.594 121.293 119.914 -0.359 0.000 5.894 592 V HA -0.182 3.938 4.120 -0.000 0.000 0.327 592 V C -0.281 175.600 176.094 -0.355 0.000 0.363 592 V CA 0.312 62.367 62.300 -0.408 0.000 0.712 592 V CB -2.290 29.116 31.823 -0.696 0.000 0.436 592 V HN 0.363 nan 8.190 nan 0.000 1.467 593 H N -0.103 118.910 119.070 -0.096 0.000 2.610 593 H HA 0.637 5.193 4.556 -0.000 0.000 0.336 593 H C 0.153 175.469 175.328 -0.019 0.000 1.087 593 H CA -0.036 55.958 56.048 -0.091 0.000 1.405 593 H CB 1.809 31.573 29.762 0.003 0.000 1.460 593 H HN 0.265 nan 8.280 nan 0.000 0.538 594 V N 5.004 124.909 119.914 -0.015 0.000 2.472 594 V HA 0.219 4.339 4.120 -0.000 0.000 0.290 594 V C -0.610 175.463 176.094 -0.034 0.000 1.037 594 V CA -0.531 61.804 62.300 0.060 0.000 0.908 594 V CB 0.595 32.434 31.823 0.026 0.000 0.985 594 V HN 0.559 nan 8.190 nan 0.000 0.454 595 Y N 1.635 121.976 120.300 0.067 0.000 2.570 595 Y HA 0.838 5.388 4.550 -0.000 0.000 0.345 595 Y C 0.595 176.505 175.900 0.017 0.000 1.014 595 Y CA -0.940 57.190 58.100 0.049 0.000 1.063 595 Y CB 2.352 40.815 38.460 0.005 0.000 1.272 595 Y HN 0.714 nan 8.280 nan 0.000 0.477 596 G N 0.145 109.001 108.800 0.094 0.000 2.571 596 G HA2 0.513 4.473 3.960 -0.000 0.000 0.304 596 G HA3 0.513 4.473 3.960 -0.000 0.000 0.304 596 G C -2.604 172.272 174.900 -0.040 0.000 1.314 596 G CA -0.705 44.241 45.100 -0.257 0.000 0.975 596 G HN 0.507 nan 8.290 nan 0.000 0.485 597 Y N 0.779 120.960 120.300 -0.197 0.000 2.386 597 Y HA 0.440 4.990 4.550 0.000 0.000 0.334 597 Y C 0.083 175.937 175.900 -0.078 0.000 1.002 597 Y CA -0.804 57.259 58.100 -0.063 0.000 1.068 597 Y CB 1.863 40.341 38.460 0.029 0.000 1.203 597 Y HN 0.481 nan 8.280 nan 0.000 0.443 598 E N 5.910 125.899 120.200 -0.352 0.000 2.338 598 E HA 0.277 4.627 4.350 -0.000 0.000 0.272 598 E C -1.022 175.594 176.600 0.026 0.000 1.029 598 E CA 0.010 56.319 56.400 -0.151 0.000 0.872 598 E CB 0.931 30.509 29.700 -0.204 0.000 1.015 598 E HN 0.425 nan 8.360 nan 0.000 0.417 599 I N 2.216 122.865 120.570 0.130 0.000 2.500 599 I HA 0.022 4.192 4.170 -0.000 0.000 0.286 599 I C 0.145 176.306 176.117 0.073 0.000 1.063 599 I CA -0.532 60.838 61.300 0.117 0.000 1.062 599 I CB 1.462 39.532 38.000 0.117 0.000 1.223 599 I HN 0.272 nan 8.210 nan 0.000 0.435 600 S N 5.368 121.067 115.700 -0.001 0.000 2.437 600 S HA 0.103 4.573 4.470 -0.000 0.000 0.304 600 S C 1.207 175.783 174.600 -0.040 0.000 1.167 600 S CA -0.385 57.810 58.200 -0.007 0.000 1.106 600 S CB -0.022 63.160 63.200 -0.030 0.000 1.099 600 S HN 0.525 nan 8.310 nan 0.000 0.524 601 L N 5.653 126.880 121.223 0.006 0.000 2.081 601 L HA -0.091 4.249 4.340 -0.000 0.000 0.212 601 L C 2.039 178.886 176.870 -0.038 0.000 1.080 601 L CA 2.048 56.861 54.840 -0.044 0.000 0.754 601 L CB -0.541 41.538 42.059 0.035 0.000 0.893 601 L HN 0.639 nan 8.230 nan 0.000 0.433 602 E N -1.319 118.881 120.200 -0.001 0.000 2.204 602 E HA -0.137 4.213 4.350 -0.000 0.000 0.194 602 E C 2.201 178.820 176.600 0.031 0.000 0.989 602 E CA 1.168 57.583 56.400 0.024 0.000 0.824 602 E CB -0.363 29.356 29.700 0.032 0.000 0.756 602 E HN 0.355 nan 8.360 nan 0.000 0.477 603 V N 0.488 120.384 119.914 -0.029 0.000 2.591 603 V HA -0.141 3.979 4.120 -0.000 0.000 0.249 603 V C 2.039 178.073 176.094 -0.101 0.000 1.053 603 V CA 1.081 63.344 62.300 -0.061 0.000 1.068 603 V CB -0.313 31.444 31.823 -0.109 0.000 0.689 603 V HN 0.244 nan 8.190 nan 0.000 0.462 604 L N -0.384 120.747 121.223 -0.154 0.000 2.072 604 L HA -0.129 4.210 4.340 -0.000 0.000 0.205 604 L C 2.576 179.382 176.870 -0.107 0.000 1.079 604 L CA 1.513 56.224 54.840 -0.214 0.000 0.752 604 L CB -0.556 41.342 42.059 -0.268 0.000 0.906 604 L HN 0.374 nan 8.230 nan 0.000 0.436 605 E N -0.219 119.955 120.200 -0.043 0.000 2.051 605 E HA -0.258 4.092 4.350 -0.000 0.000 0.192 605 E C 2.079 178.682 176.600 0.005 0.000 0.991 605 E CA 1.335 57.729 56.400 -0.011 0.000 0.799 605 E CB -0.230 29.476 29.700 0.011 0.000 0.748 605 E HN 0.344 nan 8.360 nan 0.000 0.449 606 F N 2.251 122.155 119.950 -0.077 0.000 2.126 606 F HA -0.255 4.272 4.527 0.000 0.000 0.299 606 F C 2.299 178.077 175.800 -0.037 0.000 1.096 606 F CA 1.770 59.745 58.000 -0.042 0.000 1.255 606 F CB 0.075 39.060 39.000 -0.025 0.000 0.997 606 F HN -0.041 nan 8.300 nan 0.000 0.479 607 Q N -1.138 118.670 119.800 0.013 0.000 2.172 607 Q HA -0.118 4.222 4.340 -0.000 0.000 0.200 607 Q C 2.059 178.009 176.000 -0.083 0.000 0.964 607 Q CA 1.747 57.398 55.803 -0.254 0.000 0.855 607 Q CB -0.459 27.798 28.738 -0.800 0.000 0.918 607 Q HN 0.348 nan 8.270 nan 0.000 0.444 608 T N 1.964 116.474 114.554 -0.073 0.000 2.643 608 T HA -0.125 4.225 4.350 -0.000 0.000 0.264 608 T C 1.946 176.633 174.700 -0.022 0.000 1.045 608 T CA 1.016 63.100 62.100 -0.026 0.000 1.155 608 T CB -0.300 68.559 68.868 -0.014 0.000 0.863 608 T HN 0.157 nan 8.240 nan 0.000 0.420 609 L N 0.647 121.825 121.223 -0.074 0.000 1.989 609 L HA -0.157 4.183 4.340 -0.000 0.000 0.211 609 L C 2.973 179.780 176.870 -0.104 0.000 1.071 609 L CA 1.467 56.244 54.840 -0.105 0.000 0.749 609 L CB -1.376 40.574 42.059 -0.182 0.000 0.890 609 L HN 0.313 nan 8.230 nan 0.000 0.431 610 T N 0.366 114.831 114.554 -0.148 0.000 2.635 610 T HA -0.219 4.131 4.350 -0.000 0.000 0.267 610 T C 1.842 176.593 174.700 0.085 0.000 1.040 610 T CA 1.390 63.439 62.100 -0.084 0.000 1.156 610 T CB -0.310 68.611 68.868 0.087 0.000 0.863 610 T HN 0.035 nan 8.240 nan 0.000 0.430 611 L N 1.525 122.852 121.223 0.175 0.000 2.261 611 L HA -0.036 4.304 4.340 -0.000 0.000 0.216 611 L C 2.253 179.197 176.870 0.123 0.000 1.114 611 L CA 1.547 56.497 54.840 0.184 0.000 0.777 611 L CB -0.698 41.461 42.059 0.165 0.000 0.910 611 L HN 0.417 nan 8.230 nan 0.000 0.440 612 R N -1.618 118.929 120.500 0.077 0.000 2.466 612 R HA 0.377 4.717 4.340 -0.000 0.000 0.279 612 R C 0.995 177.320 176.300 0.042 0.000 0.976 612 R CA 0.685 56.824 56.100 0.066 0.000 1.081 612 R CB -0.068 30.263 30.300 0.051 0.000 1.215 612 R HN 0.147 nan 8.270 nan 0.000 0.546 613 G N 1.123 109.949 108.800 0.043 0.000 2.176 613 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.232 613 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.232 613 G C 0.044 174.934 174.900 -0.017 0.000 0.986 613 G CA 0.072 45.190 45.100 0.030 0.000 0.643 613 G HN 0.494 nan 8.290 nan 0.000 0.522 614 E N -0.171 119.995 120.200 -0.057 0.000 2.511 614 E HA 0.401 4.750 4.350 -0.000 0.000 0.214 614 E C 1.788 178.279 176.600 -0.181 0.000 1.062 614 E CA -0.373 55.970 56.400 -0.095 0.000 1.213 614 E CB 0.423 30.074 29.700 -0.082 0.000 1.214 614 E HN 0.553 nan 8.360 nan 0.000 0.441 615 I N 1.004 121.437 120.570 -0.229 0.000 2.264 615 I HA -0.292 3.878 4.170 -0.000 0.000 0.248 615 I C 1.779 177.725 176.117 -0.286 0.000 1.111 615 I CA 1.360 62.430 61.300 -0.383 0.000 1.382 615 I CB 0.334 38.006 38.000 -0.547 0.000 1.060 615 I HN 0.126 nan 8.210 nan 0.000 0.418 616 E N 0.583 120.682 120.200 -0.168 0.000 2.110 616 E HA -0.292 4.058 4.350 -0.000 0.000 0.193 616 E C 1.917 178.460 176.600 -0.095 0.000 0.988 616 E CA 1.377 57.717 56.400 -0.100 0.000 0.804 616 E CB -0.263 29.403 29.700 -0.057 0.000 0.745 616 E HN 0.574 nan 8.360 nan 0.000 0.458 617 E N 0.974 121.107 120.200 -0.111 0.000 2.047 617 E HA -0.096 4.254 4.350 -0.000 0.000 0.191 617 E C 1.906 178.435 176.600 -0.120 0.000 0.987 617 E CA 1.441 57.785 56.400 -0.093 0.000 0.799 617 E CB -0.277 29.370 29.700 -0.087 0.000 0.752 617 E HN 0.166 nan 8.360 nan 0.000 0.449 618 A N 0.718 123.394 122.820 -0.240 0.000 1.858 618 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 618 A C 2.396 179.906 177.584 -0.123 0.000 1.190 618 A CA 1.648 53.471 52.037 -0.356 0.000 0.617 618 A CB -0.838 17.574 19.000 -0.981 0.000 0.827 618 A HN 0.370 nan 8.150 nan 0.000 0.443 619 I N -0.786 119.729 120.570 -0.091 0.000 2.264 619 I HA -0.240 3.930 4.170 -0.000 0.000 0.248 619 I C 2.618 178.796 176.117 0.102 0.000 1.111 619 I CA 1.698 63.091 61.300 0.154 0.000 1.382 619 I CB -0.240 37.805 38.000 0.076 0.000 1.060 619 I HN 0.474 nan 8.210 nan 0.000 0.418 620 E N 0.456 120.675 120.200 0.032 0.000 2.190 620 E HA -0.094 4.256 4.350 -0.000 0.000 0.191 620 E C 1.385 178.003 176.600 0.031 0.000 0.978 620 E CA 0.679 57.095 56.400 0.027 0.000 0.839 620 E CB 0.283 29.986 29.700 0.004 0.000 0.787 620 E HN 0.522 nan 8.360 nan 0.000 0.473 621 N N -0.618 118.098 118.700 0.026 0.000 2.397 621 N HA -0.002 4.738 4.740 -0.000 0.000 0.190 621 N C 1.643 177.182 175.510 0.049 0.000 1.099 621 N CA 0.378 53.445 53.050 0.027 0.000 0.876 621 N CB 0.972 39.464 38.487 0.008 0.000 1.143 621 N HN -0.014 nan 8.380 nan 0.000 0.468 622 V N 1.581 121.544 119.914 0.081 0.000 2.581 622 V HA 0.093 4.213 4.120 -0.000 0.000 0.240 622 V C 2.430 178.621 176.094 0.162 0.000 1.054 622 V CA 0.348 62.721 62.300 0.122 0.000 1.076 622 V CB -0.261 31.653 31.823 0.152 0.000 0.748 622 V HN 0.119 nan 8.190 nan 0.000 0.474 623 L N 0.641 122.011 121.223 0.245 0.000 2.010 623 L HA -0.188 4.152 4.340 -0.000 0.000 0.219 623 L C -0.223 176.681 176.870 0.058 0.000 1.077 623 L CA 2.388 57.318 54.840 0.151 0.000 0.773 623 L CB -1.320 40.845 42.059 0.177 0.000 0.892 623 L HN 0.349 nan 8.230 nan 0.000 0.436 624 P HA -0.108 nan 4.420 nan 0.000 0.229 624 P C 0.200 177.514 177.300 0.024 0.000 1.150 624 P CA 1.251 64.370 63.100 0.032 0.000 0.765 624 P CB -0.072 31.648 31.700 0.032 0.000 0.783 625 N N -2.299 116.420 118.700 0.031 0.000 2.205 625 N HA 0.051 4.791 4.740 -0.000 0.000 0.201 625 N C -0.186 175.333 175.510 0.014 0.000 1.128 625 N CA -0.017 53.048 53.050 0.024 0.000 0.867 625 N CB 0.211 38.717 38.487 0.032 0.000 0.996 625 N HN -0.080 nan 8.380 nan 0.000 0.503 626 V N 1.458 121.374 119.914 0.003 0.000 2.775 626 V HA 0.146 4.266 4.120 -0.000 0.000 0.299 626 V C 0.228 176.309 176.094 -0.021 0.000 1.062 626 V CA -0.057 62.230 62.300 -0.021 0.000 1.063 626 V CB 1.163 32.949 31.823 -0.063 0.000 0.994 626 V HN 0.188 nan 8.190 nan 0.000 0.483 627 E N 2.074 122.260 120.200 -0.023 0.000 2.256 627 E HA 0.608 4.958 4.350 -0.000 0.000 0.268 627 E C -0.060 176.525 176.600 -0.024 0.000 0.877 627 E CA -0.327 56.062 56.400 -0.019 0.000 0.757 627 E CB 2.066 31.759 29.700 -0.012 0.000 1.183 627 E HN 1.104 nan 8.360 nan 0.000 0.418 628 G N 2.437 111.224 108.800 -0.023 0.000 3.019 628 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.686 628 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.686 628 G C 0.327 175.211 174.900 -0.025 0.000 1.056 628 G CA -0.520 44.566 45.100 -0.023 0.000 0.774 628 G HN 0.593 nan 8.290 nan 0.000 0.583 629 K N 0.551 120.939 120.400 -0.021 0.000 2.293 629 K HA -0.211 4.109 4.320 -0.000 0.000 0.204 629 K C 1.978 178.567 176.600 -0.018 0.000 1.045 629 K CA 1.917 58.192 56.287 -0.019 0.000 0.933 629 K CB -0.022 32.470 32.500 -0.013 0.000 0.736 629 K HN 0.658 nan 8.250 nan 0.000 0.463 630 D N 0.378 120.766 120.400 -0.020 0.000 2.088 630 D HA -0.128 4.512 4.640 -0.000 0.000 0.196 630 D C 1.668 177.957 176.300 -0.019 0.000 0.983 630 D CA 2.037 56.027 54.000 -0.017 0.000 0.846 630 D CB -0.083 40.704 40.800 -0.023 0.000 0.992 630 D HN -0.057 nan 8.370 nan 0.000 0.448 631 S N -0.610 115.072 115.700 -0.030 0.000 2.382 631 S HA -0.113 4.357 4.470 -0.000 0.000 0.228 631 S C 1.794 176.354 174.600 -0.066 0.000 1.027 631 S CA 0.449 58.623 58.200 -0.044 0.000 0.991 631 S CB -0.371 62.799 63.200 -0.051 0.000 0.823 631 S HN 0.232 nan 8.310 nan 0.000 0.469 632 L N 1.622 122.807 121.223 -0.064 0.000 2.131 632 L HA -0.067 4.273 4.340 -0.000 0.000 0.210 632 L C 2.357 179.191 176.870 -0.060 0.000 1.092 632 L CA 1.675 56.466 54.840 -0.082 0.000 0.759 632 L CB -1.320 40.704 42.059 -0.059 0.000 0.903 632 L HN 0.261 nan 8.230 nan 0.000 0.435 633 T N -1.765 112.772 114.554 -0.027 0.000 2.942 633 T HA -0.136 4.214 4.350 -0.000 0.000 0.265 633 T C 1.911 176.625 174.700 0.023 0.000 1.062 633 T CA 1.012 63.112 62.100 0.001 0.000 1.139 633 T CB 0.114 68.988 68.868 0.010 0.000 0.883 633 T HN 0.208 nan 8.240 nan 0.000 0.468 634 K N 0.991 121.401 120.400 0.017 0.000 2.103 634 K HA 0.102 4.422 4.320 -0.000 0.000 0.204 634 K C 2.074 178.720 176.600 0.076 0.000 1.052 634 K CA 0.940 57.257 56.287 0.051 0.000 0.945 634 K CB -0.212 32.306 32.500 0.030 0.000 0.722 634 K HN 0.267 nan 8.250 nan 0.000 0.443 635 I N 0.758 121.323 120.570 -0.008 0.000 2.252 635 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 635 I C 2.404 178.554 176.117 0.056 0.000 1.102 635 I CA 1.070 62.354 61.300 -0.028 0.000 1.385 635 I CB -0.381 37.384 38.000 -0.392 0.000 1.064 635 I HN 0.277 nan 8.210 nan 0.000 0.414 636 A N 1.161 123.985 122.820 0.007 0.000 1.858 636 A HA -0.202 4.118 4.320 -0.000 0.000 0.216 636 A C 2.385 180.017 177.584 0.081 0.000 1.190 636 A CA 1.481 53.536 52.037 0.030 0.000 0.617 636 A CB -0.601 18.410 19.000 0.019 0.000 0.827 636 A HN 0.302 nan 8.150 nan 0.000 0.443 637 R N -1.699 118.865 120.500 0.107 0.000 2.096 637 R HA -0.125 4.215 4.340 -0.000 0.000 0.235 637 R C 2.009 178.424 176.300 0.192 0.000 1.127 637 R CA 1.517 57.699 56.100 0.135 0.000 0.968 637 R CB -0.583 29.799 30.300 0.136 0.000 0.861 637 R HN 0.616 nan 8.270 nan 0.000 0.440 638 F N 1.851 121.859 119.950 0.096 0.000 2.095 638 F HA -0.169 4.358 4.527 -0.000 0.000 0.298 638 F C 1.783 177.685 175.800 0.170 0.000 1.104 638 F CA 1.408 59.490 58.000 0.137 0.000 1.232 638 F CB -0.513 38.529 39.000 0.071 0.000 0.987 638 F HN -0.117 nan 8.300 nan 0.000 0.475 639 L N 0.347 121.389 121.223 -0.301 0.000 2.042 639 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 639 L C 2.577 179.363 176.870 -0.139 0.000 1.076 639 L CA 2.006 56.659 54.840 -0.311 0.000 0.749 639 L CB -0.980 41.050 42.059 -0.048 0.000 0.893 639 L HN 0.293 nan 8.230 nan 0.000 0.432 640 E N 0.400 120.591 120.200 -0.015 0.000 2.160 640 E HA -0.201 4.149 4.350 -0.000 0.000 0.195 640 E C 2.148 178.749 176.600 0.002 0.000 0.991 640 E CA 1.284 57.724 56.400 0.066 0.000 0.810 640 E CB -0.205 29.592 29.700 0.162 0.000 0.742 640 E HN 0.425 nan 8.360 nan 0.000 0.466 641 G N 0.093 108.889 108.800 -0.007 0.000 2.422 641 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.218 641 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.218 641 G C 1.433 176.287 174.900 -0.076 0.000 1.146 641 G CA 0.686 45.797 45.100 0.018 0.000 0.769 641 G HN 0.220 nan 8.290 nan 0.000 0.547 642 Q N -0.216 119.474 119.800 -0.184 0.000 2.280 642 Q HA 0.269 4.609 4.340 -0.000 0.000 0.202 642 Q C 0.546 176.233 176.000 -0.523 0.000 0.903 642 Q CA 0.010 55.665 55.803 -0.247 0.000 0.948 642 Q CB 0.038 28.706 28.738 -0.117 0.000 1.058 642 Q HN 0.656 nan 8.270 nan 0.000 0.493 643 E N -2.085 117.761 120.200 -0.591 0.000 3.070 643 E HA -0.279 4.071 4.350 -0.000 0.000 0.285 643 E C -0.854 175.018 176.600 -1.214 0.000 0.972 643 E CA 0.274 55.939 56.400 -1.225 0.000 0.915 643 E CB -1.739 27.467 29.700 -0.824 0.000 1.466 643 E HN 0.480 nan 8.360 nan 0.000 0.432 644 Y N 0.047 120.002 120.300 -0.576 0.000 3.040 644 Y HA 0.105 4.655 4.550 -0.000 0.000 0.392 644 Y C 1.309 177.100 175.900 -0.183 0.000 1.105 644 Y CA -0.201 57.714 58.100 -0.308 0.000 1.950 644 Y CB -0.565 37.776 38.460 -0.197 0.000 2.014 644 Y HN 0.228 nan 8.280 nan 0.000 0.433 645 Y N -0.130 120.196 120.300 0.044 0.000 2.040 645 Y HA -0.419 4.131 4.550 -0.000 0.000 0.275 645 Y C 2.483 178.402 175.900 0.031 0.000 1.171 645 Y CA 1.679 59.790 58.100 0.018 0.000 1.123 645 Y CB -0.163 38.285 38.460 -0.020 0.000 0.963 645 Y HN 0.372 nan 8.280 nan 0.000 0.493 646 E N 0.542 120.863 120.200 0.202 0.000 2.085 646 E HA -0.264 4.086 4.350 -0.000 0.000 0.194 646 E C 1.767 178.429 176.600 0.103 0.000 0.994 646 E CA 1.750 58.224 56.400 0.124 0.000 0.801 646 E CB 0.017 29.776 29.700 0.099 0.000 0.743 646 E HN 0.476 nan 8.360 nan 0.000 0.453 647 E N 0.455 120.726 120.200 0.118 0.000 2.072 647 E HA -0.116 4.234 4.350 -0.000 0.000 0.191 647 E C 1.893 178.541 176.600 0.081 0.000 0.985 647 E CA 1.212 57.666 56.400 0.090 0.000 0.801 647 E CB -0.389 29.357 29.700 0.076 0.000 0.750 647 E HN 0.399 nan 8.360 nan 0.000 0.452 648 A N 0.853 123.733 122.820 0.099 0.000 1.940 648 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 648 A C 2.149 179.772 177.584 0.065 0.000 1.176 648 A CA 1.396 53.482 52.037 0.081 0.000 0.631 648 A CB -0.669 18.400 19.000 0.115 0.000 0.814 648 A HN 0.271 nan 8.150 nan 0.000 0.446 649 L N 0.769 122.036 121.223 0.074 0.000 2.046 649 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 649 L C 1.677 178.566 176.870 0.033 0.000 1.077 649 L CA 2.306 57.175 54.840 0.048 0.000 0.747 649 L CB -0.854 41.230 42.059 0.043 0.000 0.896 649 L HN 0.505 nan 8.230 nan 0.000 0.432 650 N N -1.105 117.616 118.700 0.034 0.000 2.515 650 N HA -0.012 4.728 4.740 -0.000 0.000 0.185 650 N C 1.571 177.090 175.510 0.014 0.000 1.109 650 N CA 0.814 53.878 53.050 0.024 0.000 0.903 650 N CB 0.261 38.764 38.487 0.028 0.000 0.969 650 N HN 0.438 nan 8.380 nan 0.000 0.450 651 I N -0.544 120.032 120.570 0.010 0.000 2.947 651 I HA -0.034 4.136 4.170 -0.000 0.000 0.263 651 I C 1.094 177.202 176.117 -0.015 0.000 1.130 651 I CA -0.022 61.269 61.300 -0.015 0.000 1.448 651 I CB -0.096 37.877 38.000 -0.046 0.000 1.222 651 I HN -0.104 nan 8.210 nan 0.000 0.453 652 S N 3.168 118.868 115.700 -0.001 0.000 2.558 652 S HA 0.025 4.495 4.470 -0.000 0.000 0.293 652 S C -1.500 173.102 174.600 0.004 0.000 1.292 652 S CA -0.691 57.512 58.200 0.005 0.000 1.063 652 S CB 0.478 63.691 63.200 0.022 0.000 0.831 652 S HN 0.129 nan 8.310 nan 0.000 0.499 653 P HA 0.254 nan 4.420 nan 0.000 0.272 653 P C -0.653 176.650 177.300 0.005 0.000 1.408 653 P CA -0.113 62.987 63.100 0.000 0.000 0.996 653 P CB 0.004 31.701 31.700 -0.006 0.000 1.481 654 D N -0.192 120.215 120.400 0.011 0.000 2.168 654 D HA 0.109 4.749 4.640 -0.000 0.000 0.246 654 D C 1.359 177.672 176.300 0.021 0.000 1.050 654 D CA -0.356 53.652 54.000 0.014 0.000 0.857 654 D CB 1.395 42.206 40.800 0.019 0.000 1.169 654 D HN -0.304 nan 8.370 nan 0.000 0.453 655 Q N 2.014 121.823 119.800 0.014 0.000 2.049 655 Q HA -0.096 4.244 4.340 -0.000 0.000 0.198 655 Q C 0.903 176.930 176.000 0.045 0.000 0.971 655 Q CA 1.187 57.000 55.803 0.017 0.000 0.833 655 Q CB -0.053 28.675 28.738 -0.016 0.000 0.896 655 Q HN 0.665 nan 8.270 nan 0.000 0.434 656 D N 0.537 120.955 120.400 0.030 0.000 2.178 656 D HA -0.174 4.466 4.640 -0.000 0.000 0.201 656 D C 1.863 178.219 176.300 0.093 0.000 0.980 656 D CA 1.007 55.040 54.000 0.055 0.000 0.842 656 D CB 0.137 40.953 40.800 0.027 0.000 0.948 656 D HN 0.367 nan 8.370 nan 0.000 0.472 657 Q N 0.533 120.371 119.800 0.064 0.000 2.061 657 Q HA -0.090 4.250 4.340 -0.000 0.000 0.195 657 Q C 2.003 178.032 176.000 0.048 0.000 0.967 657 Q CA 0.569 56.404 55.803 0.053 0.000 0.829 657 Q CB 0.288 29.053 28.738 0.045 0.000 0.900 657 Q HN -0.061 nan 8.270 nan 0.000 0.450 658 K N 0.324 120.756 120.400 0.053 0.000 2.032 658 K HA -0.233 4.087 4.320 -0.000 0.000 0.218 658 K C 1.967 178.590 176.600 0.038 0.000 1.054 658 K CA 1.730 58.043 56.287 0.044 0.000 0.941 658 K CB -0.772 31.759 32.500 0.052 0.000 0.720 658 K HN 0.258 nan 8.250 nan 0.000 0.449 659 F N 2.442 122.357 119.950 -0.059 0.000 2.095 659 F HA -0.211 4.316 4.527 0.000 0.000 0.298 659 F C 2.581 178.330 175.800 -0.085 0.000 1.104 659 F CA 1.937 59.886 58.000 -0.084 0.000 1.232 659 F CB -0.306 38.629 39.000 -0.109 0.000 0.987 659 F HN 0.203 nan 8.300 nan 0.000 0.475 660 E N 0.313 120.457 120.200 -0.092 0.000 2.153 660 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 660 E C 2.134 178.586 176.600 -0.248 0.000 0.988 660 E CA 1.502 57.794 56.400 -0.180 0.000 0.811 660 E CB -0.280 29.398 29.700 -0.036 0.000 0.746 660 E HN 0.562 nan 8.360 nan 0.000 0.466 661 L N 0.194 121.311 121.223 -0.176 0.000 2.127 661 L HA 0.018 4.358 4.340 -0.000 0.000 0.203 661 L C 2.763 179.515 176.870 -0.196 0.000 1.080 661 L CA 0.760 55.504 54.840 -0.160 0.000 0.768 661 L CB -0.430 41.609 42.059 -0.033 0.000 0.924 661 L HN 0.125 nan 8.230 nan 0.000 0.444 662 A N 0.499 123.195 122.820 -0.206 0.000 1.948 662 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 662 A C 2.244 179.670 177.584 -0.263 0.000 1.177 662 A CA 1.593 53.509 52.037 -0.201 0.000 0.636 662 A CB -0.736 18.149 19.000 -0.192 0.000 0.815 662 A HN 0.371 nan 8.150 nan 0.000 0.449 663 L N -1.346 119.638 121.223 -0.398 0.000 2.056 663 L HA -0.156 4.184 4.340 -0.000 0.000 0.207 663 L C 2.584 179.292 176.870 -0.271 0.000 1.078 663 L CA 1.695 56.319 54.840 -0.360 0.000 0.749 663 L CB -0.512 41.279 42.059 -0.447 0.000 0.901 663 L HN 0.273 nan 8.230 nan 0.000 0.433 664 K N 0.762 120.975 120.400 -0.312 0.000 2.103 664 K HA -0.148 4.172 4.320 -0.000 0.000 0.207 664 K C 1.734 178.192 176.600 -0.236 0.000 1.048 664 K CA 1.754 57.825 56.287 -0.360 0.000 0.930 664 K CB -0.368 31.743 32.500 -0.649 0.000 0.716 664 K HN 0.328 nan 8.250 nan 0.000 0.444 665 V N -3.587 116.233 119.914 -0.157 0.000 3.649 665 V HA 0.355 4.475 4.120 -0.000 0.000 0.275 665 V C 1.101 177.158 176.094 -0.060 0.000 1.281 665 V CA 0.707 62.972 62.300 -0.059 0.000 1.143 665 V CB -0.291 31.529 31.823 -0.005 0.000 0.892 665 V HN 0.361 nan 8.190 nan 0.000 0.441 666 G N 0.275 109.018 108.800 -0.095 0.000 2.157 666 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.248 666 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.248 666 G C 0.220 175.077 174.900 -0.071 0.000 0.979 666 G CA 0.376 45.429 45.100 -0.079 0.000 0.650 666 G HN 0.639 nan 8.290 nan 0.000 0.529 667 Q N 0.459 120.213 119.800 -0.077 0.000 3.254 667 Q HA 0.461 4.801 4.340 -0.000 0.000 0.315 667 Q C 2.092 178.047 176.000 -0.074 0.000 1.405 667 Q CA -0.416 55.351 55.803 -0.059 0.000 0.966 667 Q CB -0.105 28.606 28.738 -0.046 0.000 1.706 667 Q HN 0.626 nan 8.270 nan 0.000 0.525 668 L N -0.732 120.447 121.223 -0.073 0.000 2.042 668 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 668 L C 2.050 178.905 176.870 -0.025 0.000 1.076 668 L CA 1.300 56.099 54.840 -0.069 0.000 0.749 668 L CB -0.861 41.161 42.059 -0.062 0.000 0.893 668 L HN 0.423 nan 8.230 nan 0.000 0.432 669 T N 0.537 115.084 114.554 -0.012 0.000 2.652 669 T HA -0.238 4.112 4.350 -0.000 0.000 0.267 669 T C 1.977 176.687 174.700 0.017 0.000 1.039 669 T CA 1.496 63.601 62.100 0.009 0.000 1.153 669 T CB -0.347 68.525 68.868 0.006 0.000 0.863 669 T HN 0.231 nan 8.240 nan 0.000 0.428 670 L N 0.546 121.772 121.223 0.004 0.000 1.989 670 L HA -0.186 4.154 4.340 -0.000 0.000 0.211 670 L C 2.814 179.708 176.870 0.039 0.000 1.071 670 L CA 1.763 56.611 54.840 0.013 0.000 0.749 670 L CB -0.607 41.451 42.059 -0.002 0.000 0.890 670 L HN 0.307 nan 8.230 nan 0.000 0.431 671 A N -0.413 122.417 122.820 0.017 0.000 1.908 671 A HA -0.275 4.045 4.320 -0.000 0.000 0.218 671 A C 2.366 180.094 177.584 0.241 0.000 1.181 671 A CA 1.734 53.834 52.037 0.105 0.000 0.627 671 A CB -0.727 18.135 19.000 -0.230 0.000 0.818 671 A HN 0.425 nan 8.150 nan 0.000 0.445 672 R N 0.325 120.892 120.500 0.112 0.000 2.117 672 R HA -0.191 4.149 4.340 -0.000 0.000 0.243 672 R C 0.836 177.158 176.300 0.037 0.000 1.143 672 R CA 2.199 58.349 56.100 0.083 0.000 0.968 672 R CB -0.800 29.552 30.300 0.086 0.000 0.863 672 R HN 0.569 nan 8.270 nan 0.000 0.444 673 D N -0.526 119.899 120.400 0.042 0.000 2.347 673 D HA -0.035 4.605 4.640 -0.000 0.000 0.213 673 D C 1.278 177.570 176.300 -0.014 0.000 0.985 673 D CA 0.276 54.288 54.000 0.020 0.000 0.879 673 D CB 0.166 40.981 40.800 0.026 0.000 0.919 673 D HN 0.097 nan 8.370 nan 0.000 0.526 674 L N -0.112 121.104 121.223 -0.011 0.000 2.446 674 L HA 0.123 4.463 4.340 -0.000 0.000 0.219 674 L C 1.671 178.381 176.870 -0.267 0.000 1.116 674 L CA 0.819 55.619 54.840 -0.067 0.000 0.844 674 L CB -0.057 42.038 42.059 0.060 0.000 0.970 674 L HN 0.124 nan 8.230 nan 0.000 0.457 675 L N -1.404 119.587 121.223 -0.386 0.000 2.554 675 L HA -0.011 4.329 4.340 -0.000 0.000 0.225 675 L C 2.092 178.749 176.870 -0.355 0.000 1.104 675 L CA 0.583 55.017 54.840 -0.677 0.000 0.866 675 L CB -0.733 40.587 42.059 -1.232 0.000 1.047 675 L HN 0.364 nan 8.230 nan 0.000 0.468 676 T N -1.210 113.273 114.554 -0.118 0.000 2.691 676 T HA -0.374 3.976 4.350 -0.000 0.000 0.236 676 T C 0.880 175.679 174.700 0.164 0.000 1.238 676 T CA 2.320 64.458 62.100 0.063 0.000 1.098 676 T CB -0.387 68.498 68.868 0.028 0.000 0.808 676 T HN 0.327 nan 8.240 nan 0.000 0.485 677 D N -0.314 120.130 120.400 0.074 0.000 2.712 677 D HA 0.145 4.785 4.640 -0.000 0.000 0.300 677 D C 0.982 177.313 176.300 0.051 0.000 1.521 677 D CA -0.278 53.798 54.000 0.127 0.000 0.790 677 D CB 0.344 41.191 40.800 0.078 0.000 1.155 677 D HN 0.310 nan 8.370 nan 0.000 0.456 678 E N 0.764 120.908 120.200 -0.093 0.000 2.448 678 E HA -0.112 4.238 4.350 -0.000 0.000 0.203 678 E C 0.810 177.359 176.600 -0.085 0.000 1.046 678 E CA 0.396 56.670 56.400 -0.209 0.000 0.871 678 E CB 0.216 29.601 29.700 -0.526 0.000 0.790 678 E HN 0.167 nan 8.360 nan 0.000 0.545 679 S N -0.288 115.489 115.700 0.128 0.000 4.112 679 S HA -0.349 4.121 4.470 -0.000 0.000 0.602 679 S C 0.555 175.258 174.600 0.171 0.000 1.939 679 S CA 1.567 59.898 58.200 0.218 0.000 4.230 679 S CB -1.352 61.912 63.200 0.106 0.000 0.245 679 S HN 1.016 nan 8.310 nan 0.000 0.530 680 A N 1.520 124.396 122.820 0.093 0.000 1.613 680 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 680 A C 0.957 178.629 177.584 0.147 0.000 1.219 680 A CA 1.714 53.789 52.037 0.063 0.000 0.709 680 A CB -1.090 17.887 19.000 -0.038 0.000 1.177 680 A HN 0.643 nan 8.150 nan 0.000 0.230 681 E N 1.838 122.159 120.200 0.202 0.000 2.114 681 E HA -0.340 4.010 4.350 -0.000 0.000 0.199 681 E C 2.105 178.836 176.600 0.218 0.000 1.008 681 E CA 1.924 58.478 56.400 0.257 0.000 0.810 681 E CB -0.352 29.465 29.700 0.194 0.000 0.739 681 E HN 1.105 nan 8.360 nan 0.000 0.456 682 M N 0.438 120.118 119.600 0.134 0.000 2.195 682 M HA -0.155 4.325 4.480 -0.000 0.000 0.260 682 M C 1.713 178.082 176.300 0.115 0.000 1.066 682 M CA 1.571 56.939 55.300 0.114 0.000 1.089 682 M CB -0.224 32.420 32.600 0.073 0.000 1.377 682 M HN -0.169 nan 8.290 nan 0.000 0.411 683 K N 0.757 121.181 120.400 0.040 0.000 1.984 683 K HA -0.102 4.218 4.320 -0.000 0.000 0.209 683 K C 1.639 178.255 176.600 0.027 0.000 1.046 683 K CA 2.026 58.278 56.287 -0.058 0.000 0.934 683 K CB -0.845 31.384 32.500 -0.452 0.000 0.717 683 K HN 0.633 nan 8.250 nan 0.000 0.438 684 W N 1.588 122.915 121.300 0.046 0.000 2.342 684 W HA -0.103 4.557 4.660 -0.000 0.000 0.297 684 W C 2.575 179.163 176.519 0.114 0.000 1.213 684 W CA 0.969 58.348 57.345 0.056 0.000 1.251 684 W CB -0.253 29.211 29.460 0.007 0.000 1.136 684 W HN 0.163 nan 8.180 nan 0.000 0.526 685 R N 0.415 121.150 120.500 0.392 0.000 2.096 685 R HA -0.140 4.200 4.340 -0.000 0.000 0.235 685 R C 2.230 178.728 176.300 0.331 0.000 1.127 685 R CA 1.599 57.947 56.100 0.414 0.000 0.968 685 R CB -0.482 29.982 30.300 0.274 0.000 0.861 685 R HN 0.151 nan 8.270 nan 0.000 0.440 686 A N 1.031 123.985 122.820 0.223 0.000 1.873 686 A HA -0.141 4.179 4.320 -0.000 0.000 0.215 686 A C 2.122 179.757 177.584 0.085 0.000 1.186 686 A CA 1.049 53.174 52.037 0.146 0.000 0.616 686 A CB -0.675 18.416 19.000 0.151 0.000 0.823 686 A HN 0.425 nan 8.150 nan 0.000 0.442 687 L N -0.382 120.922 121.223 0.135 0.000 2.013 687 L HA -0.174 4.166 4.340 -0.000 0.000 0.212 687 L C 2.496 179.319 176.870 -0.078 0.000 1.073 687 L CA 1.783 56.656 54.840 0.056 0.000 0.753 687 L CB -0.674 41.489 42.059 0.175 0.000 0.890 687 L HN 0.445 nan 8.230 nan 0.000 0.432 688 G N -0.917 107.786 108.800 -0.162 0.000 2.422 688 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.218 688 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.218 688 G C 1.150 175.738 174.900 -0.520 0.000 1.146 688 G CA 0.892 45.552 45.100 -0.733 0.000 0.769 688 G HN 0.423 nan 8.290 nan 0.000 0.547 689 D N 0.938 121.307 120.400 -0.051 0.000 2.149 689 D HA 0.001 4.641 4.640 -0.000 0.000 0.201 689 D C 2.820 179.093 176.300 -0.044 0.000 0.972 689 D CA 1.082 55.130 54.000 0.080 0.000 0.835 689 D CB -0.216 40.667 40.800 0.139 0.000 0.966 689 D HN 0.324 nan 8.370 nan 0.000 0.476 690 A N 0.841 123.610 122.820 -0.085 0.000 1.898 690 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 690 A C 2.490 179.994 177.584 -0.133 0.000 1.181 690 A CA 1.500 53.471 52.037 -0.110 0.000 0.620 690 A CB -0.472 18.444 19.000 -0.141 0.000 0.819 690 A HN 0.106 nan 8.150 nan 0.000 0.442 691 S N -0.407 115.193 115.700 -0.168 0.000 2.348 691 S HA -0.161 4.309 4.470 -0.000 0.000 0.221 691 S C 1.894 176.342 174.600 -0.253 0.000 1.033 691 S CA 1.554 59.641 58.200 -0.188 0.000 1.010 691 S CB -0.492 62.588 63.200 -0.200 0.000 0.891 691 S HN 0.512 nan 8.310 nan 0.000 0.442 692 L N 1.719 122.774 121.223 -0.279 0.000 2.131 692 L HA -0.064 4.276 4.340 -0.000 0.000 0.210 692 L C 2.209 178.863 176.870 -0.360 0.000 1.092 692 L CA 1.713 56.344 54.840 -0.349 0.000 0.759 692 L CB -0.548 41.425 42.059 -0.144 0.000 0.903 692 L HN 0.274 nan 8.230 nan 0.000 0.435 693 Q N -0.912 118.771 119.800 -0.196 0.000 2.291 693 Q HA -0.131 4.209 4.340 -0.000 0.000 0.205 693 Q C 1.344 177.323 176.000 -0.035 0.000 0.970 693 Q CA 0.865 56.595 55.803 -0.122 0.000 0.876 693 Q CB 0.175 28.877 28.738 -0.059 0.000 0.935 693 Q HN 0.353 nan 8.270 nan 0.000 0.455 694 R N -1.018 119.448 120.500 -0.057 0.000 2.507 694 R HA 0.101 4.441 4.340 -0.000 0.000 0.298 694 R C -0.698 175.688 176.300 0.143 0.000 0.999 694 R CA -0.102 56.038 56.100 0.067 0.000 1.082 694 R CB 0.228 30.518 30.300 -0.017 0.000 1.246 694 R HN 0.103 nan 8.270 nan 0.000 0.553 695 F N -1.004 118.719 119.950 -0.379 0.000 3.084 695 F HA -0.309 4.218 4.527 -0.000 0.000 0.286 695 F C 0.191 175.640 175.800 -0.585 0.000 0.855 695 F CA 0.513 58.140 58.000 -0.622 0.000 1.091 695 F CB -1.627 37.260 39.000 -0.188 0.000 1.177 695 F HN 0.157 nan 8.300 nan 0.000 0.542 696 N N 0.816 119.303 118.700 -0.355 0.000 3.234 696 N HA 0.224 4.964 4.740 -0.000 0.000 0.272 696 N C 0.863 176.261 175.510 -0.186 0.000 1.254 696 N CA -0.290 52.664 53.050 -0.160 0.000 1.087 696 N CB -0.336 38.095 38.487 -0.094 0.000 1.356 696 N HN 0.169 nan 8.380 nan 0.000 0.511 697 F N 0.974 120.952 119.950 0.047 0.000 2.216 697 F HA -0.081 4.446 4.527 -0.000 0.000 0.300 697 F C 2.324 178.116 175.800 -0.013 0.000 1.085 697 F CA 0.877 58.907 58.000 0.051 0.000 1.326 697 F CB 0.034 39.139 39.000 0.175 0.000 1.027 697 F HN 0.333 nan 8.300 nan 0.000 0.497 698 K N 0.532 121.012 120.400 0.133 0.000 2.032 698 K HA -0.227 4.093 4.320 -0.000 0.000 0.209 698 K C 2.085 178.697 176.600 0.019 0.000 1.048 698 K CA 1.509 57.823 56.287 0.045 0.000 0.927 698 K CB -0.422 32.090 32.500 0.021 0.000 0.712 698 K HN 0.218 nan 8.250 nan 0.000 0.441 699 L N 0.658 121.880 121.223 -0.002 0.000 2.072 699 L HA -0.003 4.337 4.340 -0.000 0.000 0.205 699 L C 2.149 178.972 176.870 -0.078 0.000 1.079 699 L CA 1.852 56.679 54.840 -0.021 0.000 0.752 699 L CB -0.626 41.419 42.059 -0.022 0.000 0.906 699 L HN 0.212 nan 8.230 nan 0.000 0.436 700 A N 0.021 122.761 122.820 -0.133 0.000 1.892 700 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 700 A C 2.276 179.698 177.584 -0.269 0.000 1.188 700 A CA 2.389 54.242 52.037 -0.306 0.000 0.631 700 A CB -1.000 17.854 19.000 -0.243 0.000 0.822 700 A HN 0.504 nan 8.150 nan 0.000 0.447 701 I N -0.683 119.852 120.570 -0.058 0.000 2.226 701 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 701 I C 2.591 178.686 176.117 -0.036 0.000 1.100 701 I CA 1.854 63.146 61.300 -0.014 0.000 1.374 701 I CB -0.304 37.712 38.000 0.028 0.000 1.057 701 I HN 0.582 nan 8.210 nan 0.000 0.413 702 E N 1.279 121.451 120.200 -0.048 0.000 2.072 702 E HA -0.237 4.113 4.350 -0.000 0.000 0.191 702 E C 2.267 178.784 176.600 -0.139 0.000 0.985 702 E CA 1.304 57.658 56.400 -0.077 0.000 0.801 702 E CB -0.016 29.661 29.700 -0.038 0.000 0.750 702 E HN 0.473 nan 8.360 nan 0.000 0.452 703 A N 0.803 123.586 122.820 -0.061 0.000 1.845 703 A HA -0.139 4.181 4.320 -0.000 0.000 0.215 703 A C 2.054 179.667 177.584 0.048 0.000 1.195 703 A CA 1.334 53.412 52.037 0.069 0.000 0.616 703 A CB -1.167 17.877 19.000 0.073 0.000 0.832 703 A HN 0.444 nan 8.150 nan 0.000 0.443 704 F N 0.348 120.295 119.950 -0.004 0.000 2.250 704 F HA -0.188 4.339 4.527 -0.000 0.000 0.301 704 F C 2.692 178.419 175.800 -0.120 0.000 1.077 704 F CA 1.043 59.022 58.000 -0.035 0.000 1.348 704 F CB -0.288 38.697 39.000 -0.026 0.000 1.040 704 F HN 0.197 nan 8.300 nan 0.000 0.509 705 T N -0.442 114.114 114.554 0.004 0.000 2.732 705 T HA -0.134 4.216 4.350 -0.000 0.000 0.261 705 T C 1.670 176.125 174.700 -0.409 0.000 1.040 705 T CA 1.136 63.166 62.100 -0.115 0.000 1.145 705 T CB -0.298 68.517 68.868 -0.089 0.000 0.866 705 T HN 0.188 nan 8.240 nan 0.000 0.427 706 N N 1.711 120.062 118.700 -0.583 0.000 2.289 706 N HA -0.017 4.723 4.740 -0.000 0.000 0.184 706 N C 1.858 176.814 175.510 -0.922 0.000 1.016 706 N CA 1.085 53.549 53.050 -0.977 0.000 0.872 706 N CB -0.289 37.158 38.487 -1.733 0.000 0.973 706 N HN 0.402 nan 8.380 nan 0.000 0.433 707 A N 0.197 122.754 122.820 -0.439 0.000 2.169 707 A HA -0.045 4.275 4.320 -0.000 0.000 0.212 707 A C 0.021 177.570 177.584 -0.058 0.000 1.153 707 A CA 0.318 52.313 52.037 -0.069 0.000 0.756 707 A CB -0.408 18.731 19.000 0.232 0.000 0.813 707 A HN 0.386 nan 8.150 nan 0.000 0.471 708 H N -0.940 118.135 119.070 0.009 0.000 2.899 708 H HA -0.160 4.396 4.556 -0.000 0.000 0.282 708 H C -0.349 174.975 175.328 -0.006 0.000 1.198 708 H CA 1.046 57.091 56.048 -0.005 0.000 1.140 708 H CB -1.753 28.000 29.762 -0.015 0.000 1.317 708 H HN 0.640 nan 8.280 nan 0.000 0.375 709 D N 1.330 121.762 120.400 0.054 0.000 2.470 709 D HA 0.128 4.768 4.640 -0.000 0.000 0.226 709 D C 1.494 177.741 176.300 -0.088 0.000 1.196 709 D CA -0.265 53.704 54.000 -0.051 0.000 0.979 709 D CB -0.200 40.491 40.800 -0.181 0.000 1.059 709 D HN 0.387 nan 8.370 nan 0.000 0.515 710 L N 1.949 123.151 121.223 -0.035 0.000 2.131 710 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 710 L C 2.090 178.948 176.870 -0.021 0.000 1.092 710 L CA 0.732 55.562 54.840 -0.016 0.000 0.759 710 L CB -0.217 41.824 42.059 -0.030 0.000 0.903 710 L HN 0.309 nan 8.230 nan 0.000 0.435 711 E N 0.304 120.461 120.200 -0.072 0.000 2.077 711 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 711 E C 2.327 178.894 176.600 -0.055 0.000 0.989 711 E CA 1.564 57.933 56.400 -0.051 0.000 0.800 711 E CB 0.029 29.679 29.700 -0.082 0.000 0.746 711 E HN 0.257 nan 8.360 nan 0.000 0.452 712 S N -0.155 115.390 115.700 -0.260 0.000 2.348 712 S HA -0.074 4.396 4.470 -0.000 0.000 0.219 712 S C 1.728 176.219 174.600 -0.181 0.000 1.033 712 S CA 0.733 58.675 58.200 -0.430 0.000 0.974 712 S CB -0.374 61.969 63.200 -1.429 0.000 0.868 712 S HN 0.240 nan 8.310 nan 0.000 0.459 713 L N 1.400 122.550 121.223 -0.123 0.000 2.129 713 L HA -0.063 4.277 4.340 -0.000 0.000 0.212 713 L C 1.851 178.727 176.870 0.010 0.000 1.087 713 L CA 1.552 56.383 54.840 -0.014 0.000 0.757 713 L CB -0.781 41.286 42.059 0.014 0.000 0.896 713 L HN 0.344 nan 8.230 nan 0.000 0.434 714 F N -1.229 118.689 119.950 -0.054 0.000 2.186 714 F HA -0.176 4.351 4.527 -0.000 0.000 0.299 714 F C 1.922 177.715 175.800 -0.011 0.000 1.090 714 F CA 1.213 59.208 58.000 -0.009 0.000 1.307 714 F CB -0.244 38.740 39.000 -0.027 0.000 1.019 714 F HN 0.054 nan 8.300 nan 0.000 0.489 715 L N 0.247 121.353 121.223 -0.196 0.000 2.093 715 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 715 L C 2.296 178.999 176.870 -0.278 0.000 1.085 715 L CA 1.496 56.156 54.840 -0.300 0.000 0.755 715 L CB -1.300 40.696 42.059 -0.106 0.000 0.904 715 L HN 0.244 nan 8.230 nan 0.000 0.435 716 L N -1.978 119.160 121.223 -0.141 0.000 2.044 716 L HA -0.189 4.151 4.340 -0.000 0.000 0.205 716 L C 2.403 179.264 176.870 -0.015 0.000 1.075 716 L CA 1.008 55.803 54.840 -0.075 0.000 0.747 716 L CB -0.555 41.547 42.059 0.071 0.000 0.903 716 L HN 0.339 nan 8.230 nan 0.000 0.435 717 H N -1.068 117.998 119.070 -0.008 0.000 2.495 717 H HA -0.098 4.458 4.556 -0.000 0.000 0.287 717 H C 2.482 177.745 175.328 -0.108 0.000 1.033 717 H CA 1.022 57.074 56.048 0.006 0.000 1.307 717 H CB 0.314 30.095 29.762 0.032 0.000 1.401 717 H HN 0.377 nan 8.280 nan 0.000 0.555 718 S N -0.716 114.865 115.700 -0.199 0.000 2.406 718 S HA -0.066 4.404 4.470 -0.000 0.000 0.224 718 S C 2.200 176.647 174.600 -0.256 0.000 1.030 718 S CA 0.744 58.765 58.200 -0.298 0.000 0.958 718 S CB 0.005 62.790 63.200 -0.691 0.000 0.811 718 S HN 0.136 nan 8.310 nan 0.000 0.489 719 S N 1.246 116.732 115.700 -0.357 0.000 2.368 719 S HA 0.125 4.595 4.470 -0.000 0.000 0.225 719 S C 1.056 175.412 174.600 -0.406 0.000 1.030 719 S CA 1.219 59.147 58.200 -0.453 0.000 0.999 719 S CB -0.457 62.318 63.200 -0.708 0.000 0.844 719 S HN 0.601 nan 8.310 nan 0.000 0.459 720 F N 1.562 121.443 119.950 -0.115 0.000 2.765 720 F HA 0.315 4.842 4.527 -0.000 0.000 0.302 720 F C 0.787 176.549 175.800 -0.063 0.000 1.111 720 F CA -0.535 57.409 58.000 -0.093 0.000 1.359 720 F CB -0.603 38.352 39.000 -0.075 0.000 1.097 720 F HN 0.060 nan 8.300 nan 0.000 0.577 721 N N 1.503 120.245 118.700 0.070 0.000 2.708 721 N HA -0.297 4.443 4.740 -0.000 0.000 0.255 721 N C -0.317 175.205 175.510 0.019 0.000 1.046 721 N CA 0.451 53.512 53.050 0.018 0.000 0.715 721 N CB -1.830 36.654 38.487 -0.005 0.000 0.895 721 N HN 0.491 nan 8.380 nan 0.000 0.545 722 N N 0.556 119.269 118.700 0.022 0.000 2.645 722 N HA 0.119 4.859 4.740 -0.000 0.000 0.233 722 N C 1.173 176.610 175.510 -0.123 0.000 1.058 722 N CA -0.493 52.520 53.050 -0.062 0.000 0.942 722 N CB 0.605 39.028 38.487 -0.107 0.000 1.210 722 N HN 0.201 nan 8.380 nan 0.000 0.512 723 K N 2.094 122.445 120.400 -0.082 0.000 2.044 723 K HA -0.278 4.042 4.320 -0.000 0.000 0.210 723 K C 1.546 178.095 176.600 -0.084 0.000 1.049 723 K CA 1.742 57.987 56.287 -0.071 0.000 0.927 723 K CB 0.095 32.561 32.500 -0.057 0.000 0.713 723 K HN 0.607 nan 8.250 nan 0.000 0.443 724 E N -0.752 119.387 120.200 -0.102 0.000 2.110 724 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 724 E C 1.780 178.291 176.600 -0.148 0.000 0.988 724 E CA 1.731 58.072 56.400 -0.098 0.000 0.804 724 E CB -0.344 29.304 29.700 -0.086 0.000 0.745 724 E HN 0.428 nan 8.360 nan 0.000 0.458 725 G N 0.107 108.718 108.800 -0.314 0.000 2.408 725 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.215 725 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.215 725 G C 1.400 176.170 174.900 -0.217 0.000 1.156 725 G CA 0.524 45.330 45.100 -0.491 0.000 0.793 725 G HN 0.223 nan 8.290 nan 0.000 0.535 726 L N 0.667 121.799 121.223 -0.152 0.000 2.056 726 L HA 0.031 4.371 4.340 -0.000 0.000 0.207 726 L C 3.061 179.914 176.870 -0.028 0.000 1.078 726 L CA 0.942 55.786 54.840 0.008 0.000 0.749 726 L CB -0.700 41.375 42.059 0.028 0.000 0.901 726 L HN 0.090 nan 8.230 nan 0.000 0.433 727 V N -1.084 118.817 119.914 -0.023 0.000 2.407 727 V HA -0.287 3.833 4.120 -0.000 0.000 0.248 727 V C 2.393 178.478 176.094 -0.015 0.000 1.055 727 V CA 2.094 64.407 62.300 0.021 0.000 1.049 727 V CB -0.656 31.209 31.823 0.070 0.000 0.662 727 V HN 0.497 nan 8.190 nan 0.000 0.455 728 T N 0.033 114.573 114.554 -0.022 0.000 2.812 728 T HA -0.120 4.230 4.350 -0.000 0.000 0.264 728 T C 1.884 176.570 174.700 -0.023 0.000 1.042 728 T CA 1.597 63.690 62.100 -0.012 0.000 1.140 728 T CB -0.233 68.634 68.868 -0.002 0.000 0.870 728 T HN 0.378 nan 8.240 nan 0.000 0.445 729 L N 0.889 122.109 121.223 -0.006 0.000 2.046 729 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 729 L C 2.692 179.491 176.870 -0.118 0.000 1.077 729 L CA 1.637 56.478 54.840 0.002 0.000 0.747 729 L CB -0.565 41.559 42.059 0.108 0.000 0.896 729 L HN 0.255 nan 8.230 nan 0.000 0.432 730 A N 0.027 122.699 122.820 -0.246 0.000 1.865 730 A HA -0.274 4.046 4.320 -0.000 0.000 0.217 730 A C 2.282 179.637 177.584 -0.381 0.000 1.191 730 A CA 2.203 53.924 52.037 -0.528 0.000 0.623 730 A CB -0.566 17.670 19.000 -1.272 0.000 0.826 730 A HN 0.494 nan 8.150 nan 0.000 0.444 731 K N -0.457 119.814 120.400 -0.214 0.000 2.032 731 K HA -0.170 4.150 4.320 -0.000 0.000 0.209 731 K C 1.556 178.108 176.600 -0.081 0.000 1.048 731 K CA 1.552 57.806 56.287 -0.056 0.000 0.927 731 K CB -0.310 32.202 32.500 0.020 0.000 0.712 731 K HN 0.408 nan 8.250 nan 0.000 0.441 732 D N 0.496 120.845 120.400 -0.085 0.000 2.218 732 D HA -0.118 4.522 4.640 -0.000 0.000 0.204 732 D C 1.742 177.967 176.300 -0.125 0.000 0.976 732 D CA 1.098 55.048 54.000 -0.083 0.000 0.853 732 D CB -0.101 40.670 40.800 -0.048 0.000 0.939 732 D HN 0.240 nan 8.370 nan 0.000 0.481 733 A N 0.907 123.628 122.820 -0.165 0.000 1.929 733 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 733 A C 2.073 179.475 177.584 -0.303 0.000 1.176 733 A CA 1.115 53.021 52.037 -0.219 0.000 0.628 733 A CB -0.324 18.531 19.000 -0.242 0.000 0.816 733 A HN 0.168 nan 8.150 nan 0.000 0.444 734 E N -0.673 119.367 120.200 -0.267 0.000 2.051 734 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 734 E C 2.055 178.491 176.600 -0.274 0.000 0.991 734 E CA 1.591 57.798 56.400 -0.321 0.000 0.799 734 E CB -0.405 29.241 29.700 -0.090 0.000 0.748 734 E HN 0.551 nan 8.360 nan 0.000 0.449 735 T N 0.556 115.016 114.554 -0.156 0.000 2.685 735 T HA -0.160 4.190 4.350 -0.000 0.000 0.268 735 T C 1.873 176.492 174.700 -0.135 0.000 1.034 735 T CA 1.740 63.773 62.100 -0.111 0.000 1.149 735 T CB -0.332 68.484 68.868 -0.086 0.000 0.860 735 T HN 0.139 nan 8.240 nan 0.000 0.449 736 T N -0.173 114.276 114.554 -0.175 0.000 3.148 736 T HA 0.338 4.688 4.350 -0.000 0.000 0.253 736 T C 1.611 176.182 174.700 -0.214 0.000 1.134 736 T CA 0.746 62.749 62.100 -0.162 0.000 1.051 736 T CB -0.219 68.562 68.868 -0.144 0.000 0.959 736 T HN 0.606 nan 8.240 nan 0.000 0.525 737 G N 2.117 110.693 108.800 -0.374 0.000 2.184 737 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.264 737 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.264 737 G C 0.144 174.649 174.900 -0.659 0.000 0.975 737 G CA -0.110 44.663 45.100 -0.545 0.000 0.642 737 G HN 0.490 nan 8.290 nan 0.000 0.536 738 K N 0.507 120.608 120.400 -0.497 0.000 2.150 738 K HA 0.442 4.762 4.320 -0.000 0.000 0.261 738 K C 0.834 177.221 176.600 -0.355 0.000 1.127 738 K CA -0.582 55.522 56.287 -0.306 0.000 0.989 738 K CB -0.140 32.237 32.500 -0.204 0.000 1.475 738 K HN 0.259 nan 8.250 nan 0.000 0.391 739 F N 0.642 120.567 119.950 -0.043 0.000 2.206 739 F HA -0.138 4.389 4.527 -0.000 0.000 0.298 739 F C 1.974 177.766 175.800 -0.013 0.000 1.090 739 F CA 0.664 58.652 58.000 -0.020 0.000 1.323 739 F CB -0.125 38.863 39.000 -0.020 0.000 1.028 739 F HN 0.481 nan 8.300 nan 0.000 0.492 740 N N 0.576 119.341 118.700 0.108 0.000 2.084 740 N HA -0.159 4.581 4.740 -0.000 0.000 0.190 740 N C 1.968 177.453 175.510 -0.041 0.000 1.030 740 N CA 1.064 54.137 53.050 0.038 0.000 0.849 740 N CB -0.622 37.856 38.487 -0.016 0.000 1.012 740 N HN 0.182 nan 8.380 nan 0.000 0.423 741 L N 1.506 122.632 121.223 -0.163 0.000 2.012 741 L HA -0.098 4.242 4.340 -0.000 0.000 0.210 741 L C 2.274 178.957 176.870 -0.312 0.000 1.073 741 L CA 1.622 56.244 54.840 -0.364 0.000 0.748 741 L CB -1.049 40.812 42.059 -0.330 0.000 0.891 741 L HN 0.119 nan 8.230 nan 0.000 0.431 742 A N -1.222 121.479 122.820 -0.198 0.000 1.883 742 A HA -0.309 4.011 4.320 -0.000 0.000 0.217 742 A C 2.297 179.817 177.584 -0.108 0.000 1.186 742 A CA 2.107 54.001 52.037 -0.239 0.000 0.624 742 A CB -1.183 17.732 19.000 -0.141 0.000 0.822 742 A HN 0.497 nan 8.150 nan 0.000 0.444 743 F N 1.515 121.466 119.950 0.003 0.000 2.075 743 F HA -0.208 4.319 4.527 -0.000 0.000 0.297 743 F C 2.146 178.030 175.800 0.141 0.000 1.113 743 F CA 2.135 60.220 58.000 0.142 0.000 1.218 743 F CB -0.333 38.717 39.000 0.083 0.000 0.984 743 F HN 0.228 nan 8.300 nan 0.000 0.472 744 N N 0.992 119.764 118.700 0.119 0.000 2.061 744 N HA -0.231 4.509 4.740 -0.000 0.000 0.193 744 N C 2.008 177.606 175.510 0.147 0.000 1.030 744 N CA 1.671 54.785 53.050 0.106 0.000 0.856 744 N CB -1.089 37.381 38.487 -0.028 0.000 1.023 744 N HN 0.446 nan 8.380 nan 0.000 0.424 745 A N 0.666 123.486 122.820 -0.001 0.000 1.865 745 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 745 A C 2.104 179.722 177.584 0.056 0.000 1.191 745 A CA 1.224 53.336 52.037 0.125 0.000 0.623 745 A CB -1.190 17.774 19.000 -0.060 0.000 0.826 745 A HN 0.410 nan 8.150 nan 0.000 0.444 746 Y N -2.027 118.247 120.300 -0.044 0.000 2.128 746 Y HA -0.292 4.258 4.550 -0.000 0.000 0.284 746 Y C 2.493 178.294 175.900 -0.164 0.000 1.154 746 Y CA 1.175 59.209 58.100 -0.110 0.000 1.149 746 Y CB -0.229 38.145 38.460 -0.144 0.000 0.976 746 Y HN 0.634 nan 8.280 nan 0.000 0.505 747 W N 1.029 122.171 121.300 -0.264 0.000 2.355 747 W HA -0.248 4.412 4.660 -0.000 0.000 0.309 747 W C 1.717 178.152 176.519 -0.139 0.000 1.206 747 W CA 1.455 58.602 57.345 -0.330 0.000 1.284 747 W CB -0.172 28.999 29.460 -0.481 0.000 1.145 747 W HN 0.056 nan 8.180 nan 0.000 0.502 748 I N 1.468 122.024 120.570 -0.022 0.000 2.315 748 I HA -0.212 3.958 4.170 -0.000 0.000 0.248 748 I C 2.615 178.636 176.117 -0.161 0.000 1.117 748 I CA 1.603 62.853 61.300 -0.082 0.000 1.404 748 I CB -2.102 35.945 38.000 0.078 0.000 1.071 748 I HN -0.039 nan 8.210 nan 0.000 0.419 749 A N 0.189 122.948 122.820 -0.100 0.000 2.239 749 A HA 0.249 4.569 4.320 -0.000 0.000 0.209 749 A C 2.022 179.510 177.584 -0.160 0.000 1.171 749 A CA 0.985 52.967 52.037 -0.091 0.000 0.768 749 A CB -0.816 18.178 19.000 -0.011 0.000 0.790 749 A HN 0.579 nan 8.150 nan 0.000 0.478 750 G N -0.441 108.180 108.800 -0.298 0.000 2.162 750 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.260 750 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.260 750 G C 0.107 174.858 174.900 -0.249 0.000 0.976 750 G CA 0.439 45.328 45.100 -0.352 0.000 0.655 750 G HN 0.589 nan 8.290 nan 0.000 0.533 751 D N 1.022 121.322 120.400 -0.167 0.000 2.470 751 D HA 0.315 4.955 4.640 -0.000 0.000 0.226 751 D C 1.817 178.010 176.300 -0.178 0.000 1.196 751 D CA -0.684 53.240 54.000 -0.128 0.000 0.979 751 D CB -0.248 40.533 40.800 -0.031 0.000 1.059 751 D HN 0.120 nan 8.370 nan 0.000 0.515 752 I N 2.029 122.508 120.570 -0.152 0.000 2.353 752 I HA -0.172 3.998 4.170 -0.000 0.000 0.248 752 I C 2.189 178.246 176.117 -0.099 0.000 1.119 752 I CA 0.659 61.905 61.300 -0.090 0.000 1.417 752 I CB -0.553 37.433 38.000 -0.023 0.000 1.078 752 I HN 0.444 nan 8.210 nan 0.000 0.421 753 Q N 0.847 120.576 119.800 -0.118 0.000 2.061 753 Q HA -0.158 4.182 4.340 -0.000 0.000 0.204 753 Q C 2.304 178.165 176.000 -0.231 0.000 0.984 753 Q CA 1.956 57.687 55.803 -0.120 0.000 0.846 753 Q CB -0.701 27.979 28.738 -0.097 0.000 0.902 753 Q HN 0.561 nan 8.270 nan 0.000 0.421 754 G N 0.614 109.154 108.800 -0.432 0.000 2.459 754 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 754 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 754 G C 1.565 175.949 174.900 -0.860 0.000 1.183 754 G CA 1.558 46.087 45.100 -0.951 0.000 0.776 754 G HN 0.480 nan 8.290 nan 0.000 0.552 755 A N 0.591 123.076 122.820 -0.558 0.000 1.908 755 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 755 A C 2.239 179.872 177.584 0.082 0.000 1.181 755 A CA 2.239 54.239 52.037 -0.061 0.000 0.627 755 A CB -0.473 18.512 19.000 -0.024 0.000 0.818 755 A HN 0.401 nan 8.150 nan 0.000 0.445 756 K N -0.515 119.888 120.400 0.006 0.000 2.026 756 K HA -0.215 4.105 4.320 -0.000 0.000 0.208 756 K C 1.219 177.806 176.600 -0.021 0.000 1.048 756 K CA 1.827 58.129 56.287 0.026 0.000 0.929 756 K CB -0.312 32.197 32.500 0.016 0.000 0.713 756 K HN 0.375 nan 8.250 nan 0.000 0.439 757 D N 0.939 121.304 120.400 -0.057 0.000 2.219 757 D HA -0.145 4.495 4.640 -0.000 0.000 0.205 757 D C 1.780 178.076 176.300 -0.007 0.000 0.970 757 D CA 0.545 54.518 54.000 -0.044 0.000 0.851 757 D CB -0.029 40.739 40.800 -0.053 0.000 0.943 757 D HN 0.176 nan 8.370 nan 0.000 0.488 758 L N 0.213 121.465 121.223 0.048 0.000 2.156 758 L HA -0.014 4.326 4.340 -0.000 0.000 0.208 758 L C 1.962 178.869 176.870 0.062 0.000 1.095 758 L CA 1.165 56.101 54.840 0.161 0.000 0.770 758 L CB -0.235 42.031 42.059 0.346 0.000 0.914 758 L HN -0.029 nan 8.230 nan 0.000 0.439 759 L N -1.260 119.961 121.223 -0.004 0.000 2.131 759 L HA -0.125 4.215 4.340 -0.000 0.000 0.206 759 L C 2.388 179.071 176.870 -0.313 0.000 1.087 759 L CA 0.964 55.721 54.840 -0.140 0.000 0.767 759 L CB -0.318 41.669 42.059 -0.120 0.000 0.917 759 L HN 0.224 nan 8.230 nan 0.000 0.441 760 I N -0.271 120.111 120.570 -0.313 0.000 2.252 760 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 760 I C 2.340 178.230 176.117 -0.378 0.000 1.102 760 I CA 1.226 62.214 61.300 -0.520 0.000 1.385 760 I CB -0.220 37.612 38.000 -0.279 0.000 1.064 760 I HN 0.172 nan 8.210 nan 0.000 0.414 761 K N 0.245 120.544 120.400 -0.169 0.000 2.362 761 K HA -0.041 4.279 4.320 -0.000 0.000 0.200 761 K C 1.627 178.146 176.600 -0.135 0.000 1.046 761 K CA 0.957 57.198 56.287 -0.078 0.000 0.952 761 K CB -0.035 32.486 32.500 0.036 0.000 0.753 761 K HN 0.178 nan 8.250 nan 0.000 0.466 762 S N 0.578 116.134 115.700 -0.239 0.000 2.557 762 S HA 0.055 4.525 4.470 -0.000 0.000 0.223 762 S C -0.277 174.156 174.600 -0.279 0.000 0.969 762 S CA -0.155 57.855 58.200 -0.317 0.000 0.927 762 S CB 0.345 63.290 63.200 -0.425 0.000 0.806 762 S HN 0.242 nan 8.310 nan 0.000 0.489 763 Q N 0.701 120.296 119.800 -0.342 0.000 2.487 763 Q HA -0.178 4.162 4.340 -0.000 0.000 0.279 763 Q C -0.502 175.276 176.000 -0.370 0.000 1.228 763 Q CA 0.541 56.140 55.803 -0.339 0.000 0.873 763 Q CB -1.069 27.700 28.738 0.051 0.000 1.260 763 Q HN 0.460 nan 8.270 nan 0.000 0.471 764 R N 0.211 120.381 120.500 -0.550 0.000 2.790 764 R HA 0.202 4.542 4.340 -0.000 0.000 0.274 764 R C 0.181 176.180 176.300 -0.501 0.000 1.334 764 R CA -0.250 55.629 56.100 -0.369 0.000 1.543 764 R CB 0.137 30.270 30.300 -0.278 0.000 1.154 764 R HN 0.139 nan 8.270 nan 0.000 0.601 765 F N 0.113 119.827 119.950 -0.395 0.000 2.187 765 F HA -0.185 4.342 4.527 -0.000 0.000 0.295 765 F C 2.684 177.890 175.800 -0.990 0.000 1.091 765 F CA 1.217 58.844 58.000 -0.621 0.000 1.308 765 F CB -0.340 38.223 39.000 -0.727 0.000 1.030 765 F HN 0.311 nan 8.300 nan 0.000 0.487 766 S N 0.372 115.486 115.700 -0.977 0.000 2.359 766 S HA -0.252 4.218 4.470 -0.000 0.000 0.224 766 S C 1.767 176.139 174.600 -0.380 0.000 1.035 766 S CA 1.675 59.281 58.200 -0.991 0.000 1.018 766 S CB -0.802 62.190 63.200 -0.347 0.000 0.876 766 S HN 0.485 nan 8.310 nan 0.000 0.448 767 E N 1.952 122.086 120.200 -0.109 0.000 2.106 767 E HA 0.102 4.452 4.350 -0.000 0.000 0.192 767 E C 2.425 179.043 176.600 0.031 0.000 0.984 767 E CA 0.942 57.404 56.400 0.102 0.000 0.806 767 E CB -0.497 29.183 29.700 -0.033 0.000 0.750 767 E HN 0.693 nan 8.360 nan 0.000 0.458 768 A N 1.341 124.090 122.820 -0.117 0.000 1.933 768 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 768 A C 2.371 179.938 177.584 -0.027 0.000 1.175 768 A CA 1.698 53.694 52.037 -0.068 0.000 0.628 768 A CB -0.687 18.223 19.000 -0.150 0.000 0.814 768 A HN 0.297 nan 8.150 nan 0.000 0.444 769 A N -1.410 121.323 122.820 -0.146 0.000 1.969 769 A HA 0.066 4.386 4.320 -0.000 0.000 0.218 769 A C 1.965 179.491 177.584 -0.096 0.000 1.169 769 A CA 1.246 53.201 52.037 -0.138 0.000 0.635 769 A CB -0.652 18.197 19.000 -0.251 0.000 0.810 769 A HN 0.505 nan 8.150 nan 0.000 0.445 770 F N -1.073 118.885 119.950 0.013 0.000 2.163 770 F HA -0.050 4.477 4.527 -0.000 0.000 0.297 770 F C 2.070 177.929 175.800 0.099 0.000 1.094 770 F CA 0.919 58.943 58.000 0.040 0.000 1.290 770 F CB -0.262 38.745 39.000 0.012 0.000 1.017 770 F HN 0.237 nan 8.300 nan 0.000 0.483 771 L N 0.579 122.007 121.223 0.340 0.000 1.955 771 L HA -0.121 4.219 4.340 -0.000 0.000 0.213 771 L C 2.573 179.683 176.870 0.399 0.000 1.072 771 L CA 2.318 57.410 54.840 0.421 0.000 0.755 771 L CB -1.419 40.838 42.059 0.330 0.000 0.888 771 L HN 0.145 nan 8.230 nan 0.000 0.432 772 G N -1.351 107.592 108.800 0.238 0.000 2.491 772 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.218 772 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.218 772 G C 1.654 176.651 174.900 0.161 0.000 1.180 772 G CA 1.618 46.827 45.100 0.181 0.000 0.774 772 G HN 0.611 nan 8.290 nan 0.000 0.562 773 S N -0.015 115.760 115.700 0.125 0.000 2.345 773 S HA -0.129 4.341 4.470 -0.000 0.000 0.220 773 S C 2.261 176.891 174.600 0.049 0.000 1.031 773 S CA 2.191 60.441 58.200 0.084 0.000 0.996 773 S CB -1.092 62.151 63.200 0.071 0.000 0.882 773 S HN 0.274 nan 8.310 nan 0.000 0.445 774 T N 0.607 115.175 114.554 0.022 0.000 2.849 774 T HA -0.055 4.295 4.350 -0.000 0.000 0.270 774 T C 0.335 174.752 174.700 -0.472 0.000 1.066 774 T CA 1.321 63.285 62.100 -0.227 0.000 1.130 774 T CB -0.472 68.193 68.868 -0.339 0.000 0.864 774 T HN 0.646 nan 8.240 nan 0.000 0.481 775 Y N 0.366 120.750 120.300 0.140 0.000 2.774 775 Y HA 0.463 5.013 4.550 -0.000 0.000 0.305 775 Y C 1.377 177.324 175.900 0.078 0.000 1.067 775 Y CA -0.980 57.194 58.100 0.123 0.000 1.304 775 Y CB 0.003 38.564 38.460 0.168 0.000 1.209 775 Y HN 0.183 nan 8.280 nan 0.000 0.543 776 G N 1.269 110.138 108.800 0.114 0.000 2.393 776 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.299 776 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.299 776 G C 0.886 175.839 174.900 0.088 0.000 0.990 776 G CA 0.477 45.627 45.100 0.085 0.000 1.118 776 G HN 0.626 nan 8.290 nan 0.000 0.513 777 L N -0.080 121.201 121.223 0.098 0.000 2.291 777 L HA 0.270 4.610 4.340 -0.000 0.000 0.214 777 L C 1.704 178.607 176.870 0.054 0.000 1.120 777 L CA 1.242 56.128 54.840 0.078 0.000 0.799 777 L CB -0.340 41.770 42.059 0.084 0.000 0.925 777 L HN 1.302 nan 8.230 nan 0.000 0.446 778 G N -0.204 108.627 108.800 0.052 0.000 2.911 778 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.686 778 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.686 778 G C -0.197 174.726 174.900 0.038 0.000 1.136 778 G CA -0.293 44.831 45.100 0.039 0.000 0.764 778 G HN 0.155 nan 8.290 nan 0.000 0.626 779 D N 0.982 121.401 120.400 0.032 0.000 2.157 779 D HA -0.177 4.463 4.640 -0.000 0.000 0.191 779 D C 2.256 178.575 176.300 0.031 0.000 1.004 779 D CA 2.051 56.069 54.000 0.030 0.000 0.854 779 D CB -0.048 40.766 40.800 0.023 0.000 0.936 779 D HN 0.484 nan 8.370 nan 0.000 0.446 780 N N 0.072 118.788 118.700 0.028 0.000 2.104 780 N HA -0.135 4.605 4.740 -0.000 0.000 0.190 780 N C 1.459 176.990 175.510 0.034 0.000 1.024 780 N CA 1.149 54.215 53.050 0.027 0.000 0.853 780 N CB 0.012 38.512 38.487 0.022 0.000 1.008 780 N HN 0.383 nan 8.380 nan 0.000 0.424 781 E N -0.476 119.747 120.200 0.038 0.000 2.112 781 E HA -0.047 4.303 4.350 -0.000 0.000 0.190 781 E C 1.879 178.512 176.600 0.056 0.000 0.979 781 E CA 0.681 57.108 56.400 0.044 0.000 0.814 781 E CB -0.002 29.723 29.700 0.042 0.000 0.762 781 E HN 0.120 nan 8.360 nan 0.000 0.460 782 V N 2.561 122.509 119.914 0.057 0.000 2.407 782 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 782 V C 1.846 177.987 176.094 0.078 0.000 1.055 782 V CA 1.708 64.047 62.300 0.066 0.000 1.049 782 V CB -0.505 31.352 31.823 0.057 0.000 0.662 782 V HN 0.256 nan 8.190 nan 0.000 0.455 783 N N -0.233 118.503 118.700 0.061 0.000 2.270 783 N HA -0.139 4.601 4.740 -0.000 0.000 0.181 783 N C 1.696 177.248 175.510 0.070 0.000 1.016 783 N CA 1.171 54.256 53.050 0.058 0.000 0.870 783 N CB -0.419 38.089 38.487 0.035 0.000 0.979 783 N HN 0.457 nan 8.380 nan 0.000 0.431 784 D N 0.722 121.162 120.400 0.067 0.000 2.219 784 D HA -0.022 4.618 4.640 -0.000 0.000 0.205 784 D C 1.871 178.236 176.300 0.108 0.000 0.970 784 D CA 0.378 54.421 54.000 0.071 0.000 0.851 784 D CB 0.243 41.078 40.800 0.058 0.000 0.943 784 D HN 0.273 nan 8.370 nan 0.000 0.488 785 I N -0.206 120.440 120.570 0.127 0.000 2.277 785 I HA -0.194 3.976 4.170 -0.000 0.000 0.243 785 I C 2.517 178.795 176.117 0.268 0.000 1.094 785 I CA 0.286 61.697 61.300 0.184 0.000 1.393 785 I CB -0.100 37.983 38.000 0.138 0.000 1.078 785 I HN -0.143 nan 8.210 nan 0.000 0.417 786 V N 1.336 121.397 119.914 0.244 0.000 2.287 786 V HA -0.323 3.797 4.120 -0.000 0.000 0.248 786 V C 2.791 178.985 176.094 0.167 0.000 1.053 786 V CA 2.698 65.172 62.300 0.291 0.000 1.027 786 V CB -1.223 30.692 31.823 0.154 0.000 0.646 786 V HN 0.660 nan 8.190 nan 0.000 0.447 787 T N -1.542 113.067 114.554 0.091 0.000 2.746 787 T HA -0.276 4.074 4.350 -0.000 0.000 0.267 787 T C 1.819 176.531 174.700 0.021 0.000 1.039 787 T CA 1.672 63.790 62.100 0.031 0.000 1.142 787 T CB -0.413 68.471 68.868 0.025 0.000 0.866 787 T HN 0.454 nan 8.240 nan 0.000 0.444 788 K N -0.632 119.812 120.400 0.073 0.000 2.211 788 K HA -0.039 4.281 4.320 -0.000 0.000 0.203 788 K C 1.996 178.410 176.600 -0.311 0.000 1.050 788 K CA 1.060 57.361 56.287 0.022 0.000 0.945 788 K CB -0.222 32.435 32.500 0.261 0.000 0.732 788 K HN 0.445 nan 8.250 nan 0.000 0.451 789 W N 2.574 123.626 121.300 -0.413 0.000 2.380 789 W HA -0.119 4.541 4.660 -0.000 0.000 0.317 789 W C 1.446 177.696 176.519 -0.448 0.000 1.196 789 W CA 1.256 58.237 57.345 -0.606 0.000 1.307 789 W CB -0.458 28.904 29.460 -0.162 0.000 1.157 789 W HN -0.129 nan 8.180 nan 0.000 0.483 790 K N 0.057 120.394 120.400 -0.105 0.000 2.009 790 K HA -0.273 4.047 4.320 -0.000 0.000 0.210 790 K C 2.039 178.549 176.600 -0.150 0.000 1.049 790 K CA 2.110 58.277 56.287 -0.200 0.000 0.929 790 K CB -0.709 31.687 32.500 -0.174 0.000 0.714 790 K HN 0.272 nan 8.250 nan 0.000 0.440 791 E N 1.400 121.521 120.200 -0.131 0.000 2.033 791 E HA -0.295 4.055 4.350 -0.000 0.000 0.199 791 E C 2.062 178.586 176.600 -0.126 0.000 1.011 791 E CA 1.490 57.825 56.400 -0.107 0.000 0.815 791 E CB -0.193 29.460 29.700 -0.078 0.000 0.755 791 E HN 0.247 nan 8.360 nan 0.000 0.451 792 N N 0.197 118.762 118.700 -0.226 0.000 2.104 792 N HA -0.190 4.550 4.740 -0.000 0.000 0.190 792 N C 2.054 177.503 175.510 -0.102 0.000 1.024 792 N CA 1.096 54.027 53.050 -0.199 0.000 0.853 792 N CB -0.147 38.059 38.487 -0.467 0.000 1.008 792 N HN 0.174 nan 8.380 nan 0.000 0.424 793 L N 1.859 123.024 121.223 -0.097 0.000 1.970 793 L HA -0.078 4.262 4.340 -0.000 0.000 0.212 793 L C 2.436 179.279 176.870 -0.045 0.000 1.071 793 L CA 1.311 56.127 54.840 -0.040 0.000 0.751 793 L CB -0.961 41.056 42.059 -0.070 0.000 0.889 793 L HN 0.204 nan 8.230 nan 0.000 0.432 794 I N -1.206 119.326 120.570 -0.065 0.000 2.335 794 I HA -0.311 3.859 4.170 -0.000 0.000 0.251 794 I C 2.254 178.350 176.117 -0.034 0.000 1.129 794 I CA 0.850 62.120 61.300 -0.051 0.000 1.402 794 I CB -0.310 37.655 38.000 -0.057 0.000 1.069 794 I HN 0.260 nan 8.210 nan 0.000 0.424 795 L N 0.499 121.702 121.223 -0.034 0.000 2.275 795 L HA -0.074 4.266 4.340 -0.000 0.000 0.215 795 L C 1.470 178.336 176.870 -0.007 0.000 1.119 795 L CA 1.764 56.593 54.840 -0.018 0.000 0.790 795 L CB -0.619 41.430 42.059 -0.017 0.000 0.919 795 L HN 0.222 nan 8.230 nan 0.000 0.443 796 N N -0.254 118.442 118.700 -0.007 0.000 2.273 796 N HA 0.157 4.897 4.740 -0.000 0.000 0.231 796 N C 1.070 176.580 175.510 -0.000 0.000 1.134 796 N CA 0.735 53.788 53.050 0.005 0.000 0.856 796 N CB 0.477 38.975 38.487 0.018 0.000 1.068 796 N HN 0.396 nan 8.380 nan 0.000 0.510 797 G N 1.455 110.250 108.800 -0.009 0.000 2.180 797 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.263 797 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.263 797 G C 0.313 175.204 174.900 -0.014 0.000 0.989 797 G CA 0.304 45.397 45.100 -0.011 0.000 0.692 797 G HN 0.355 nan 8.290 nan 0.000 0.526 798 K N 0.404 120.794 120.400 -0.017 0.000 2.758 798 K HA 0.237 4.557 4.320 -0.000 0.000 0.250 798 K C 1.061 177.636 176.600 -0.042 0.000 1.268 798 K CA -0.182 56.092 56.287 -0.021 0.000 1.228 798 K CB -0.056 32.439 32.500 -0.009 0.000 1.715 798 K HN 0.241 nan 8.250 nan 0.000 0.334 799 N N 0.508 119.184 118.700 -0.040 0.000 2.289 799 N HA -0.130 4.610 4.740 -0.000 0.000 0.184 799 N C 1.293 176.769 175.510 -0.058 0.000 1.016 799 N CA 1.320 54.340 53.050 -0.050 0.000 0.872 799 N CB 0.065 38.529 38.487 -0.039 0.000 0.973 799 N HN 0.234 nan 8.380 nan 0.000 0.433 800 T N -0.228 114.296 114.554 -0.049 0.000 2.639 800 T HA -0.055 4.295 4.350 -0.000 0.000 0.261 800 T C 2.067 176.724 174.700 -0.072 0.000 1.053 800 T CA 1.088 63.157 62.100 -0.051 0.000 1.158 800 T CB -0.500 68.346 68.868 -0.037 0.000 0.863 800 T HN -0.042 nan 8.240 nan 0.000 0.413 801 V N 2.539 122.407 119.914 -0.075 0.000 2.407 801 V HA -0.198 3.922 4.120 -0.000 0.000 0.248 801 V C 2.886 178.872 176.094 -0.180 0.000 1.055 801 V CA 1.970 64.205 62.300 -0.109 0.000 1.049 801 V CB -1.210 30.564 31.823 -0.081 0.000 0.662 801 V HN 0.693 nan 8.190 nan 0.000 0.455 802 S N 0.977 116.574 115.700 -0.172 0.000 2.374 802 S HA -0.315 4.155 4.470 -0.000 0.000 0.227 802 S C 1.717 176.193 174.600 -0.208 0.000 1.037 802 S CA 2.002 60.070 58.200 -0.221 0.000 1.024 802 S CB -0.648 62.459 63.200 -0.156 0.000 0.861 802 S HN 0.764 nan 8.310 nan 0.000 0.456 803 E N 0.784 120.896 120.200 -0.147 0.000 2.482 803 E HA 0.056 4.406 4.350 -0.000 0.000 0.196 803 E C 2.176 178.697 176.600 -0.132 0.000 1.047 803 E CA 0.278 56.604 56.400 -0.124 0.000 0.869 803 E CB -0.052 29.596 29.700 -0.087 0.000 0.836 803 E HN 0.597 nan 8.360 nan 0.000 0.520 804 R N 0.403 120.809 120.500 -0.157 0.000 2.223 804 R HA 0.087 4.427 4.340 -0.000 0.000 0.198 804 R C 0.431 176.611 176.300 -0.200 0.000 0.984 804 R CA 0.022 56.034 56.100 -0.147 0.000 1.018 804 R CB 0.413 30.639 30.300 -0.123 0.000 0.945 804 R HN -0.055 nan 8.270 nan 0.000 0.479 805 V N 2.486 122.214 119.914 -0.311 0.000 2.434 805 V HA -0.085 4.035 4.120 -0.000 0.000 0.281 805 V C 0.809 176.730 176.094 -0.289 0.000 1.005 805 V CA -0.078 61.958 62.300 -0.441 0.000 1.089 805 V CB -0.240 31.106 31.823 -0.796 0.000 0.978 805 V HN 0.288 nan 8.190 nan 0.000 0.474 806 C N 4.708 123.883 119.300 -0.209 0.000 2.563 806 C HA 0.652 5.112 4.460 -0.000 0.000 0.358 806 C C 1.352 176.286 174.990 -0.094 0.000 1.336 806 C CA 0.031 58.977 59.018 -0.120 0.000 2.454 806 C CB 0.468 28.164 27.740 -0.073 0.000 2.448 806 C HN 1.056 nan 8.230 nan 0.000 0.670 807 G N -0.193 108.576 108.800 -0.051 0.000 2.642 807 G HA2 0.505 4.465 3.960 -0.000 0.000 0.291 807 G HA3 0.505 4.465 3.960 -0.000 0.000 0.291 807 G C 0.899 175.800 174.900 0.001 0.000 1.345 807 G CA 0.272 45.361 45.100 -0.019 0.000 1.043 807 G HN 0.996 nan 8.290 nan 0.000 0.528 808 A N -0.315 122.515 122.820 0.016 0.000 1.884 808 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 808 A C 2.065 179.657 177.584 0.013 0.000 1.197 808 A CA 2.518 54.568 52.037 0.021 0.000 0.637 808 A CB -0.759 18.256 19.000 0.025 0.000 0.827 808 A HN 0.601 nan 8.150 nan 0.000 0.450 809 E N 0.011 120.216 120.200 0.007 0.000 2.333 809 E HA -0.053 4.297 4.350 -0.000 0.000 0.200 809 E C 1.788 178.389 176.600 0.002 0.000 1.010 809 E CA 0.972 57.374 56.400 0.004 0.000 0.841 809 E CB -0.836 28.864 29.700 -0.000 0.000 0.757 809 E HN 0.601 nan 8.360 nan 0.000 0.508 810 G N 0.524 109.323 108.800 -0.002 0.000 2.430 810 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.216 810 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.216 810 G C 0.525 175.429 174.900 0.008 0.000 1.146 810 G CA -0.186 44.911 45.100 -0.004 0.000 0.793 810 G HN 0.145 nan 8.290 nan 0.000 0.537 811 L N 2.163 123.395 121.223 0.015 0.000 2.485 811 L HA 0.206 4.546 4.340 -0.000 0.000 0.275 811 L C -1.668 175.216 176.870 0.023 0.000 1.207 811 L CA -1.230 53.626 54.840 0.027 0.000 0.855 811 L CB 0.447 42.525 42.059 0.032 0.000 1.114 811 L HN 0.082 nan 8.230 nan 0.000 0.485 812 P HA 0.284 nan 4.420 nan 0.000 0.283 812 P C 0.080 177.392 177.300 0.020 0.000 1.412 812 P CA 0.186 63.299 63.100 0.021 0.000 0.912 812 P CB 1.117 32.831 31.700 0.023 0.000 1.132 813 G N 0.000 108.810 108.800 0.017 0.000 5.446 813 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 813 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 813 G CA 0.000 45.109 45.100 0.015 0.000 0.502 813 G HN 0.000 nan 8.290 nan 0.000 0.925