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 1zm3_1_C DATA FIRST_RESID 2 DATA SEQUENCE VAFTVDQMRS LMDKVTNVRN MSVIAHVDHG KSTLTDSLVQ RAGIISAXXX DATA SEQUENCE XXXXXXXXXX XXXXXGITIK STAISLYSEM SDEDVKEIKQ KTDGNSFLIN DATA SEQUENCE LIDSPGHVDF SSEVTAALRV TDGALVVVDT IEGVCVQTET VLRQALGERI DATA SEQUENCE KPVVVINKVD RALLELQVSK EDLYQTFART VESVNVIVST YADEVLGDVQ DATA SEQUENCE VYPARGTVAF GSGLHGWAFT IRQFATRYAK KFGVDKAKMM DRLWGDSFFN DATA SEQUENCE PKTKKWTNKD TDAEGKPLER AFNMFILDPI FRLFTAIMNF KKDEIPVLLE DATA SEQUENCE KLEIVLKGDE KDLEGKALLK VVMRKFLPAA DALLEMIVLH LPSPVTAQAY DATA SEQUENCE RAEQLYEGPA DDANCIAIKN CDPKADLMLY VSKMVPTSDK GRFYAFGRVF DATA SEQUENCE AGTVKSGQKV RIQGPNYVPG KKDDLFIKAI QRVVLMMGRF VEPIDDCPAG DATA SEQUENCE NIIGLVGIDQ FLLKTGTLTT SETAHNMKVM KFSVSPVVQV AVEVKNANDL DATA SEQUENCE PKLVEGLKRL SKSDPCVLTY MSESGEHIVA GTGELHLEIC LQDLEHDHAG DATA SEQUENCE VPLKISPPVV AYRETVESES SQTALSKSPN KHNRIYLKAE PIDEEVSLAI DATA SEQUENCE ENGIINPRDD FKARARIMAD DYGWDVTDAR KIWCFGPDGN GPNLVIDQTK DATA SEQUENCE AVQYLHEIKD SVVAAFQWAT KEGPIFGEEM RSVRVNILDV TLHADAIXRG DATA SEQUENCE GGQIIPTMRR ATYAGFLLAD PKIQEPVFLV EIQCPEQAVG GIYSVLNKKR DATA SEQUENCE GQVVSEEQRP GTPLFTVKAY LPVNESFGFT GELRQATGGQ AFPQMVFDHW DATA SEQUENCE STLGSDPLDP TSKAGEIVLA ARKRHGMKEE VPGWQEYYDK L 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 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 175.912 176.094 -0.303 0.000 1.182 2 V CA 0.000 62.149 62.300 -0.252 0.000 1.235 2 V CB 0.000 31.540 31.823 -0.472 0.000 1.184 3 A N 2.100 124.684 122.820 -0.393 0.000 2.303 3 A HA 0.940 5.260 4.320 0.001 0.000 0.320 3 A C -1.456 175.890 177.584 -0.397 0.000 1.192 3 A CA -0.244 51.631 52.037 -0.269 0.000 0.821 3 A CB 0.777 19.685 19.000 -0.153 0.000 1.188 3 A HN 0.783 nan 8.150 nan 0.000 0.492 4 F N 0.438 120.357 119.950 -0.053 0.000 2.577 4 F HA 0.620 5.148 4.527 0.001 0.000 0.318 4 F C 1.057 176.830 175.800 -0.044 0.000 1.065 4 F CA -0.290 57.668 58.000 -0.070 0.000 0.929 4 F CB 2.427 41.376 39.000 -0.085 0.000 1.237 4 F HN 0.674 nan 8.300 nan 0.000 0.468 5 T N -1.719 112.950 114.554 0.191 0.000 2.881 5 T HA 0.372 4.723 4.350 0.001 0.000 0.278 5 T C 0.995 175.731 174.700 0.060 0.000 0.982 5 T CA -0.672 61.479 62.100 0.085 0.000 0.989 5 T CB 1.166 70.065 68.868 0.051 0.000 1.058 5 T HN 0.296 nan 8.240 nan 0.000 0.529 6 V N 1.261 121.193 119.914 0.031 0.000 2.392 6 V HA -0.164 3.956 4.120 0.001 0.000 0.249 6 V C 2.479 178.567 176.094 -0.010 0.000 1.059 6 V CA 2.074 64.382 62.300 0.013 0.000 1.051 6 V CB -0.813 31.015 31.823 0.007 0.000 0.658 6 V HN 0.880 nan 8.190 nan 0.000 0.455 7 D N -0.354 120.040 120.400 -0.010 0.000 2.084 7 D HA -0.184 4.456 4.640 0.001 0.000 0.194 7 D C 2.318 178.584 176.300 -0.056 0.000 0.990 7 D CA 1.386 55.370 54.000 -0.026 0.000 0.826 7 D CB -0.197 40.593 40.800 -0.017 0.000 0.971 7 D HN 0.549 nan 8.370 nan 0.000 0.453 8 Q N -0.142 119.624 119.800 -0.057 0.000 2.061 8 Q HA -0.152 4.189 4.340 0.001 0.000 0.204 8 Q C 2.318 178.159 176.000 -0.265 0.000 0.984 8 Q CA 0.966 56.677 55.803 -0.153 0.000 0.846 8 Q CB -0.150 28.536 28.738 -0.087 0.000 0.902 8 Q HN 0.277 nan 8.270 nan 0.000 0.421 9 M N 0.362 119.842 119.600 -0.199 0.000 2.065 9 M HA -0.171 4.310 4.480 0.001 0.000 0.259 9 M C 2.244 178.469 176.300 -0.124 0.000 1.069 9 M CA 1.591 56.785 55.300 -0.177 0.000 1.110 9 M CB -0.901 31.662 32.600 -0.061 0.000 1.328 9 M HN 0.084 nan 8.290 nan 0.000 0.405 10 R N 0.246 120.696 120.500 -0.084 0.000 2.080 10 R HA -0.124 4.217 4.340 0.001 0.000 0.236 10 R C 2.435 178.688 176.300 -0.078 0.000 1.137 10 R CA 2.470 58.530 56.100 -0.066 0.000 0.943 10 R CB -1.110 29.162 30.300 -0.048 0.000 0.846 10 R HN 0.338 nan 8.270 nan 0.000 0.431 11 S N -0.501 115.145 115.700 -0.090 0.000 2.374 11 S HA -0.155 4.316 4.470 0.001 0.000 0.227 11 S C 1.785 176.323 174.600 -0.104 0.000 1.037 11 S CA 1.484 59.630 58.200 -0.090 0.000 1.024 11 S CB -0.444 62.699 63.200 -0.094 0.000 0.861 11 S HN 0.353 nan 8.310 nan 0.000 0.456 12 L N 1.252 122.389 121.223 -0.142 0.000 2.141 12 L HA 0.176 4.516 4.340 0.001 0.000 0.209 12 L C 2.200 179.016 176.870 -0.091 0.000 1.094 12 L CA 1.708 56.466 54.840 -0.137 0.000 0.763 12 L CB -0.570 41.365 42.059 -0.207 0.000 0.908 12 L HN 0.420 nan 8.230 nan 0.000 0.437 13 M N -1.599 117.952 119.600 -0.083 0.000 2.659 13 M HA -0.086 4.394 4.480 0.001 0.000 0.243 13 M C 1.210 177.476 176.300 -0.057 0.000 1.111 13 M CA 0.630 55.893 55.300 -0.061 0.000 1.070 13 M CB -0.225 32.341 32.600 -0.056 0.000 1.525 13 M HN 0.177 nan 8.290 nan 0.000 0.517 14 D N 0.967 121.331 120.400 -0.060 0.000 2.271 14 D HA 0.014 4.655 4.640 0.001 0.000 0.206 14 D C 0.424 176.695 176.300 -0.050 0.000 0.967 14 D CA 0.769 54.738 54.000 -0.052 0.000 0.867 14 D CB 0.381 41.151 40.800 -0.051 0.000 0.960 14 D HN 0.292 nan 8.370 nan 0.000 0.509 15 K N 1.428 121.793 120.400 -0.058 0.000 2.518 15 K HA 0.152 4.473 4.320 0.001 0.000 0.244 15 K C 1.248 177.824 176.600 -0.040 0.000 1.232 15 K CA -0.323 55.930 56.287 -0.058 0.000 1.189 15 K CB 1.259 33.706 32.500 -0.088 0.000 1.737 15 K HN -0.119 nan 8.250 nan 0.000 0.333 16 V N 0.675 120.571 119.914 -0.030 0.000 2.380 16 V HA -0.303 3.817 4.120 0.001 0.000 0.251 16 V C 2.485 178.585 176.094 0.010 0.000 1.063 16 V CA 2.477 64.766 62.300 -0.018 0.000 1.055 16 V CB -1.004 30.802 31.823 -0.029 0.000 0.657 16 V HN 0.734 nan 8.190 nan 0.000 0.455 17 T N -1.784 112.777 114.554 0.012 0.000 2.996 17 T HA -0.169 4.182 4.350 0.001 0.000 0.271 17 T C 0.966 175.737 174.700 0.120 0.000 1.126 17 T CA 1.744 63.872 62.100 0.046 0.000 1.103 17 T CB -0.499 68.387 68.868 0.030 0.000 0.870 17 T HN 0.508 nan 8.240 nan 0.000 0.528 18 N N 0.329 119.082 118.700 0.089 0.000 2.480 18 N HA 0.446 5.186 4.740 0.001 0.000 0.281 18 N C -1.374 174.277 175.510 0.235 0.000 1.381 18 N CA -0.239 52.920 53.050 0.183 0.000 0.903 18 N CB 1.382 39.688 38.487 -0.301 0.000 1.274 18 N HN 0.229 nan 8.380 nan 0.000 0.505 19 V N 0.357 120.371 119.914 0.166 0.000 2.864 19 V HA 0.592 4.713 4.120 0.001 0.000 0.314 19 V C -0.437 175.701 176.094 0.072 0.000 1.073 19 V CA -0.844 61.515 62.300 0.099 0.000 0.956 19 V CB 2.468 34.307 31.823 0.027 0.000 1.023 19 V HN 0.093 nan 8.190 nan 0.000 0.435 20 R N 2.603 123.129 120.500 0.043 0.000 2.500 20 R HA 0.408 4.748 4.340 0.001 0.000 0.299 20 R C -1.412 174.891 176.300 0.004 0.000 1.038 20 R CA -0.591 55.514 56.100 0.007 0.000 0.903 20 R CB 1.567 31.855 30.300 -0.021 0.000 1.177 20 R HN 0.625 nan 8.270 nan 0.000 0.455 21 N N 4.333 123.030 118.700 -0.006 0.000 2.462 21 N HA 0.338 5.079 4.740 0.001 0.000 0.242 21 N C -0.033 175.483 175.510 0.009 0.000 1.010 21 N CA -0.350 52.699 53.050 -0.003 0.000 0.939 21 N CB 1.216 39.685 38.487 -0.031 0.000 1.127 21 N HN 0.451 nan 8.380 nan 0.000 0.509 22 M N -0.850 118.761 119.600 0.018 0.000 2.744 22 M HA 0.688 5.168 4.480 0.001 0.000 0.283 22 M C -0.019 176.295 176.300 0.022 0.000 1.275 22 M CA -0.986 54.322 55.300 0.014 0.000 0.796 22 M CB 1.396 33.994 32.600 -0.004 0.000 1.739 22 M HN 0.110 nan 8.290 nan 0.000 0.454 23 S N -0.541 115.166 115.700 0.011 0.000 2.811 23 S HA 0.952 5.423 4.470 0.001 0.000 0.311 23 S C -1.692 172.902 174.600 -0.011 0.000 1.152 23 S CA -0.639 57.566 58.200 0.009 0.000 0.864 23 S CB 1.885 65.096 63.200 0.017 0.000 1.226 23 S HN 0.860 nan 8.310 nan 0.000 0.541 24 V N 2.167 122.072 119.914 -0.015 0.000 2.398 24 V HA 0.467 4.587 4.120 0.001 0.000 0.282 24 V C -1.025 175.054 176.094 -0.026 0.000 1.014 24 V CA -0.401 61.883 62.300 -0.027 0.000 0.838 24 V CB 0.885 32.691 31.823 -0.028 0.000 1.018 24 V HN 0.743 nan 8.190 nan 0.000 0.432 25 I N 4.751 125.302 120.570 -0.033 0.000 2.363 25 I HA 0.671 4.842 4.170 0.001 0.000 0.292 25 I C 0.510 176.614 176.117 -0.022 0.000 1.075 25 I CA 0.679 61.960 61.300 -0.032 0.000 1.333 25 I CB 0.959 38.932 38.000 -0.045 0.000 1.415 25 I HN 0.738 nan 8.210 nan 0.000 0.502 26 A N 4.559 127.374 122.820 -0.009 0.000 2.582 26 A HA 0.406 4.727 4.320 0.001 0.000 0.297 26 A C -1.139 176.457 177.584 0.019 0.000 1.059 26 A CA -0.705 51.347 52.037 0.025 0.000 0.705 26 A CB 0.503 19.520 19.000 0.028 0.000 1.279 26 A HN 0.706 nan 8.150 nan 0.000 0.404 27 H N 1.000 120.026 119.070 -0.074 0.000 2.815 27 H HA 0.301 4.858 4.556 0.001 0.000 0.350 27 H C 1.587 176.843 175.328 -0.120 0.000 1.080 27 H CA 0.948 56.898 56.048 -0.164 0.000 1.433 27 H CB 1.193 30.724 29.762 -0.386 0.000 1.432 27 H HN 0.803 nan 8.280 nan 0.000 0.592 28 V N 0.887 120.669 119.914 -0.220 0.000 2.392 28 V HA -0.209 3.912 4.120 0.001 0.000 0.249 28 V C 1.213 177.364 176.094 0.095 0.000 1.059 28 V CA 1.967 64.237 62.300 -0.050 0.000 1.051 28 V CB -0.229 31.536 31.823 -0.097 0.000 0.658 28 V HN 0.768 nan 8.190 nan 0.000 0.455 29 D N -0.329 120.234 120.400 0.271 0.000 2.338 29 D HA 0.015 4.655 4.640 0.001 0.000 0.239 29 D C 0.816 177.248 176.300 0.221 0.000 1.095 29 D CA 0.736 54.848 54.000 0.187 0.000 0.888 29 D CB -0.429 40.451 40.800 0.133 0.000 0.899 29 D HN 0.733 nan 8.370 nan 0.000 0.525 30 H N -0.954 118.174 119.070 0.097 0.000 2.505 30 H HA 0.290 4.846 4.556 0.001 0.000 0.260 30 H C 1.008 176.334 175.328 -0.003 0.000 1.168 30 H CA -0.458 55.603 56.048 0.023 0.000 0.945 30 H CB 0.706 30.476 29.762 0.013 0.000 1.800 30 H HN 0.053 nan 8.280 nan 0.000 0.586 31 G N 2.349 111.218 108.800 0.115 0.000 2.283 31 G HA2 -0.412 3.549 3.960 0.001 0.000 0.280 31 G HA3 -0.412 3.549 3.960 0.001 0.000 0.280 31 G C 1.254 176.168 174.900 0.024 0.000 1.029 31 G CA 1.037 46.164 45.100 0.045 0.000 0.840 31 G HN 0.549 nan 8.290 nan 0.000 0.505 32 K N 0.391 120.814 120.400 0.038 0.000 2.063 32 K HA -0.185 4.135 4.320 0.001 0.000 0.208 32 K C 2.786 179.383 176.600 -0.005 0.000 1.048 32 K CA 2.288 58.582 56.287 0.011 0.000 0.928 32 K CB -0.301 32.203 32.500 0.006 0.000 0.713 32 K HN 0.670 nan 8.250 nan 0.000 0.442 33 S N -0.289 115.411 115.700 -0.000 0.000 2.387 33 S HA -0.083 4.388 4.470 0.001 0.000 0.226 33 S C 1.997 176.595 174.600 -0.003 0.000 1.026 33 S CA 1.405 59.602 58.200 -0.005 0.000 0.972 33 S CB -0.583 62.616 63.200 -0.001 0.000 0.814 33 S HN 0.319 nan 8.310 nan 0.000 0.477 34 T N 3.462 118.017 114.554 0.001 0.000 2.643 34 T HA 0.034 4.384 4.350 0.001 0.000 0.264 34 T C 1.776 176.470 174.700 -0.011 0.000 1.045 34 T CA 1.510 63.611 62.100 0.001 0.000 1.155 34 T CB -0.718 68.151 68.868 0.002 0.000 0.863 34 T HN 0.227 nan 8.240 nan 0.000 0.420 35 L N 1.042 122.250 121.223 -0.026 0.000 1.971 35 L HA -0.217 4.124 4.340 0.001 0.000 0.215 35 L C 3.079 179.932 176.870 -0.029 0.000 1.072 35 L CA 2.009 56.824 54.840 -0.041 0.000 0.758 35 L CB -1.341 40.682 42.059 -0.060 0.000 0.889 35 L HN 0.493 nan 8.230 nan 0.000 0.433 36 T N -2.830 111.710 114.554 -0.024 0.000 2.624 36 T HA -0.269 4.081 4.350 0.001 0.000 0.268 36 T C 1.479 176.173 174.700 -0.009 0.000 1.041 36 T CA 1.665 63.754 62.100 -0.018 0.000 1.159 36 T CB -0.684 68.172 68.868 -0.019 0.000 0.863 36 T HN 0.276 nan 8.240 nan 0.000 0.434 37 D N 1.042 121.438 120.400 -0.006 0.000 2.133 37 D HA -0.111 4.530 4.640 0.001 0.000 0.195 37 D C 2.410 178.715 176.300 0.008 0.000 0.997 37 D CA 1.496 55.497 54.000 0.002 0.000 0.840 37 D CB -0.818 39.986 40.800 0.006 0.000 0.947 37 D HN 0.447 nan 8.370 nan 0.000 0.452 38 S N -0.261 115.442 115.700 0.005 0.000 2.380 38 S HA -0.188 4.283 4.470 0.001 0.000 0.229 38 S C 1.987 176.594 174.600 0.012 0.000 1.043 38 S CA 0.957 59.163 58.200 0.010 0.000 1.038 38 S CB -0.232 62.968 63.200 0.001 0.000 0.872 38 S HN 0.103 nan 8.310 nan 0.000 0.456 39 L N 0.854 122.080 121.223 0.005 0.000 2.141 39 L HA 0.000 4.341 4.340 0.001 0.000 0.209 39 L C 2.401 179.287 176.870 0.026 0.000 1.094 39 L CA 0.890 55.737 54.840 0.012 0.000 0.763 39 L CB -0.616 41.445 42.059 0.003 0.000 0.908 39 L HN 0.189 nan 8.230 nan 0.000 0.437 40 V N 0.044 119.972 119.914 0.023 0.000 2.270 40 V HA -0.284 3.836 4.120 0.001 0.000 0.245 40 V C 2.403 178.519 176.094 0.036 0.000 1.043 40 V CA 1.881 64.200 62.300 0.031 0.000 1.014 40 V CB -0.908 30.928 31.823 0.020 0.000 0.645 40 V HN 0.683 nan 8.190 nan 0.000 0.447 41 Q N -0.417 119.401 119.800 0.030 0.000 2.561 41 Q HA -0.122 4.219 4.340 0.001 0.000 0.217 41 Q C 1.929 177.950 176.000 0.035 0.000 0.980 41 Q CA 1.028 56.850 55.803 0.031 0.000 0.927 41 Q CB -0.051 28.705 28.738 0.029 0.000 0.980 41 Q HN 0.439 nan 8.270 nan 0.000 0.525 42 R N -0.057 120.466 120.500 0.039 0.000 2.144 42 R HA 0.279 4.619 4.340 0.001 0.000 0.195 42 R C 1.078 177.415 176.300 0.061 0.000 1.077 42 R CA 1.237 57.363 56.100 0.044 0.000 1.120 42 R CB 0.056 30.377 30.300 0.036 0.000 1.060 42 R HN 0.245 nan 8.270 nan 0.000 0.520 43 A N 0.724 123.587 122.820 0.073 0.000 2.538 43 A HA 0.368 4.688 4.320 0.001 0.000 0.269 43 A C 0.689 178.354 177.584 0.135 0.000 1.231 43 A CA 0.036 52.144 52.037 0.119 0.000 0.948 43 A CB 0.265 19.331 19.000 0.110 0.000 1.110 43 A HN 0.209 nan 8.150 nan 0.000 0.529 44 G N 0.837 109.693 108.800 0.094 0.000 2.265 44 G HA2 0.384 4.344 3.960 0.001 0.000 0.240 44 G HA3 0.384 4.344 3.960 0.001 0.000 0.240 44 G C -0.051 174.916 174.900 0.112 0.000 1.270 44 G CA 0.164 45.319 45.100 0.093 0.000 0.901 44 G HN 0.170 nan 8.290 nan 0.000 0.507 45 I N 2.582 123.239 120.570 0.146 0.000 2.331 45 I HA 0.371 4.542 4.170 0.001 0.000 0.292 45 I C -0.031 176.168 176.117 0.137 0.000 0.998 45 I CA -1.184 60.223 61.300 0.178 0.000 1.267 45 I CB 1.102 39.269 38.000 0.278 0.000 1.386 45 I HN 0.176 nan 8.210 nan 0.000 0.476 46 I N 4.953 125.578 120.570 0.091 0.000 2.569 46 I HA 0.311 4.482 4.170 0.001 0.000 0.296 46 I C 0.318 176.478 176.117 0.073 0.000 1.028 46 I CA -0.206 61.145 61.300 0.084 0.000 1.082 46 I CB 2.002 40.026 38.000 0.039 0.000 1.264 46 I HN 0.665 nan 8.210 nan 0.000 0.429 47 S N 5.599 121.348 115.700 0.082 0.000 2.565 47 S HA 0.797 5.268 4.470 0.001 0.000 0.276 47 S C 0.182 174.791 174.600 0.014 0.000 1.326 47 S CA -0.575 57.664 58.200 0.065 0.000 1.045 47 S CB 1.137 64.376 63.200 0.066 0.000 0.918 47 S HN 0.817 nan 8.310 nan 0.000 0.505 68 I N 3.393 124.009 120.570 0.077 0.000 2.304 68 I HA 0.379 4.550 4.170 0.001 0.000 0.291 68 I C 0.517 176.707 176.117 0.122 0.000 1.018 68 I CA -0.494 60.853 61.300 0.080 0.000 1.260 68 I CB 1.262 39.330 38.000 0.113 0.000 1.390 68 I HN 0.128 nan 8.210 nan 0.000 0.475 69 T N 5.029 119.623 114.554 0.066 0.000 2.929 69 T HA 0.818 5.168 4.350 0.001 0.000 0.284 69 T C -0.244 174.406 174.700 -0.083 0.000 1.014 69 T CA -0.685 61.449 62.100 0.056 0.000 1.051 69 T CB 2.242 71.143 68.868 0.055 0.000 1.028 69 T HN 0.568 nan 8.240 nan 0.000 0.485 70 I N -1.823 118.671 120.570 -0.127 0.000 3.239 70 I HA 0.634 4.805 4.170 0.001 0.000 0.314 70 I C -0.533 175.465 176.117 -0.198 0.000 1.126 70 I CA -1.671 59.522 61.300 -0.179 0.000 0.973 70 I CB 2.231 40.157 38.000 -0.123 0.000 1.252 70 I HN 0.615 nan 8.210 nan 0.000 0.463 71 K N 2.297 122.578 120.400 -0.199 0.000 2.310 71 K HA 0.189 4.509 4.320 0.001 0.000 0.290 71 K C -0.008 176.473 176.600 -0.199 0.000 1.077 71 K CA -0.103 56.073 56.287 -0.186 0.000 0.922 71 K CB 0.853 33.252 32.500 -0.170 0.000 1.057 71 K HN 0.726 nan 8.250 nan 0.000 0.479 72 S N 3.285 118.863 115.700 -0.203 0.000 2.811 72 S HA -0.051 4.419 4.470 0.001 0.000 0.325 72 S C 0.528 174.992 174.600 -0.227 0.000 1.224 72 S CA 0.262 58.337 58.200 -0.208 0.000 1.125 72 S CB 0.114 63.203 63.200 -0.185 0.000 0.867 72 S HN 0.739 nan 8.310 nan 0.000 0.512 73 T N 3.947 118.324 114.554 -0.296 0.000 2.955 73 T HA 0.524 4.874 4.350 0.001 0.000 0.251 73 T C 0.150 174.607 174.700 -0.406 0.000 1.002 73 T CA 0.477 62.302 62.100 -0.459 0.000 0.970 73 T CB 0.499 68.849 68.868 -0.865 0.000 1.091 73 T HN 0.785 nan 8.240 nan 0.000 0.495 74 A N 0.838 123.522 122.820 -0.227 0.000 2.589 74 A HA 0.766 5.086 4.320 0.001 0.000 0.296 74 A C -1.822 175.760 177.584 -0.003 0.000 1.062 74 A CA -0.703 51.308 52.037 -0.044 0.000 0.686 74 A CB 1.084 20.175 19.000 0.152 0.000 1.282 74 A HN 0.271 nan 8.150 nan 0.000 0.404 75 I N 1.189 121.774 120.570 0.025 0.000 2.509 75 I HA 0.391 4.561 4.170 0.001 0.000 0.293 75 I C 0.100 176.258 176.117 0.068 0.000 1.020 75 I CA -0.559 60.762 61.300 0.034 0.000 1.088 75 I CB 2.354 40.364 38.000 0.017 0.000 1.267 75 I HN 0.552 nan 8.210 nan 0.000 0.430 76 S N 6.086 121.839 115.700 0.089 0.000 2.499 76 S HA 0.617 5.087 4.470 0.001 0.000 0.279 76 S C -0.554 174.128 174.600 0.136 0.000 1.219 76 S CA -0.463 57.806 58.200 0.114 0.000 1.062 76 S CB 0.844 64.123 63.200 0.131 0.000 0.978 76 S HN 0.209 nan 8.310 nan 0.000 0.489 77 L N 3.494 124.803 121.223 0.143 0.000 2.385 77 L HA 0.504 4.845 4.340 0.001 0.000 0.273 77 L C -0.830 176.178 176.870 0.230 0.000 0.990 77 L CA -0.547 54.391 54.840 0.162 0.000 0.821 77 L CB 1.256 43.371 42.059 0.095 0.000 1.279 77 L HN 0.698 nan 8.230 nan 0.000 0.412 78 Y N 2.296 122.694 120.300 0.163 0.000 2.377 78 Y HA 0.770 5.320 4.550 0.001 0.000 0.339 78 Y C -0.366 175.634 175.900 0.167 0.000 1.011 78 Y CA -0.312 57.908 58.100 0.201 0.000 1.093 78 Y CB 1.959 40.651 38.460 0.385 0.000 1.201 78 Y HN 0.586 nan 8.280 nan 0.000 0.455 79 S N 4.620 119.901 115.700 -0.699 0.000 2.536 79 S HA 0.423 4.893 4.470 0.001 0.000 0.271 79 S C -1.833 172.442 174.600 -0.540 0.000 1.134 79 S CA -0.730 57.195 58.200 -0.458 0.000 0.897 79 S CB 1.385 64.503 63.200 -0.136 0.000 1.094 79 S HN 0.851 nan 8.310 nan 0.000 0.473 80 E N 3.127 123.156 120.200 -0.285 0.000 2.277 80 E HA 0.663 5.013 4.350 0.001 0.000 0.266 80 E C -1.132 175.484 176.600 0.027 0.000 0.901 80 E CA -0.688 55.650 56.400 -0.102 0.000 0.782 80 E CB 1.368 31.064 29.700 -0.007 0.000 1.228 80 E HN 0.668 nan 8.360 nan 0.000 0.424 81 M N 1.210 120.861 119.600 0.085 0.000 2.631 81 M HA 0.275 4.755 4.480 0.001 0.000 0.288 81 M C -0.221 176.118 176.300 0.065 0.000 1.260 81 M CA -1.055 54.293 55.300 0.080 0.000 0.842 81 M CB 1.921 34.590 32.600 0.116 0.000 1.743 81 M HN 0.569 nan 8.290 nan 0.000 0.461 82 S N -0.562 115.164 115.700 0.044 0.000 2.585 82 S HA 0.121 4.592 4.470 0.001 0.000 0.273 82 S C 0.208 174.831 174.600 0.038 0.000 1.339 82 S CA -0.182 58.039 58.200 0.034 0.000 1.028 82 S CB 0.340 63.554 63.200 0.024 0.000 0.906 82 S HN 0.682 nan 8.310 nan 0.000 0.528 83 D N 0.969 121.386 120.400 0.029 0.000 2.221 83 D HA -0.130 4.510 4.640 0.001 0.000 0.204 83 D C 1.598 177.914 176.300 0.027 0.000 0.982 83 D CA 1.308 55.324 54.000 0.027 0.000 0.857 83 D CB -0.123 40.687 40.800 0.018 0.000 0.934 83 D HN 0.674 nan 8.370 nan 0.000 0.475 84 E N 0.766 120.980 120.200 0.023 0.000 2.072 84 E HA -0.141 4.209 4.350 0.001 0.000 0.191 84 E C 1.423 178.034 176.600 0.018 0.000 0.985 84 E CA 0.986 57.397 56.400 0.019 0.000 0.801 84 E CB -0.128 29.582 29.700 0.017 0.000 0.750 84 E HN 0.457 nan 8.360 nan 0.000 0.452 85 D N 0.802 121.214 120.400 0.020 0.000 2.144 85 D HA -0.096 4.545 4.640 0.001 0.000 0.200 85 D C 2.150 178.458 176.300 0.014 0.000 0.978 85 D CA 0.657 54.662 54.000 0.008 0.000 0.833 85 D CB -0.145 40.659 40.800 0.007 0.000 0.961 85 D HN 0.014 nan 8.370 nan 0.000 0.470 86 V N 1.394 121.341 119.914 0.055 0.000 2.688 86 V HA -0.229 3.891 4.120 0.001 0.000 0.256 86 V C 2.271 178.393 176.094 0.047 0.000 1.084 86 V CA 1.434 63.788 62.300 0.090 0.000 1.103 86 V CB -0.483 31.404 31.823 0.107 0.000 0.688 86 V HN 0.179 nan 8.190 nan 0.000 0.480 87 K N -0.077 120.339 120.400 0.026 0.000 2.116 87 K HA -0.078 4.242 4.320 0.001 0.000 0.203 87 K C 1.967 178.568 176.600 0.002 0.000 1.052 87 K CA 0.953 57.250 56.287 0.016 0.000 0.952 87 K CB -0.110 32.399 32.500 0.016 0.000 0.729 87 K HN 0.523 nan 8.250 nan 0.000 0.446 88 E N 0.815 121.008 120.200 -0.011 0.000 2.463 88 E HA -0.082 4.268 4.350 0.001 0.000 0.201 88 E C -0.013 176.551 176.600 -0.060 0.000 1.045 88 E CA 0.330 56.714 56.400 -0.027 0.000 0.872 88 E CB -0.078 29.600 29.700 -0.036 0.000 0.797 88 E HN 0.293 nan 8.360 nan 0.000 0.538 89 I N 2.907 123.442 120.570 -0.058 0.000 2.347 89 I HA -0.015 4.156 4.170 0.001 0.000 0.294 89 I C 0.655 176.753 176.117 -0.031 0.000 1.090 89 I CA -0.050 61.203 61.300 -0.079 0.000 1.314 89 I CB 0.418 38.380 38.000 -0.062 0.000 1.423 89 I HN -0.047 nan 8.210 nan 0.000 0.503 90 K N 7.956 128.339 120.400 -0.028 0.000 2.715 90 K HA 0.186 4.506 4.320 0.001 0.000 0.248 90 K C -0.333 176.275 176.600 0.012 0.000 1.276 90 K CA -0.369 55.920 56.287 0.003 0.000 1.209 90 K CB -0.090 32.421 32.500 0.018 0.000 1.509 90 K HN 0.752 nan 8.250 nan 0.000 0.261 91 Q N 0.359 120.168 119.800 0.014 0.000 2.599 91 Q HA 0.144 4.484 4.340 0.001 0.000 0.248 91 Q C -1.403 174.617 176.000 0.034 0.000 0.964 91 Q CA -1.127 54.692 55.803 0.028 0.000 1.011 91 Q CB 0.721 29.477 28.738 0.029 0.000 1.592 91 Q HN -0.003 nan 8.270 nan 0.000 0.443 92 K N 2.686 123.108 120.400 0.036 0.000 2.511 92 K HA 0.054 4.375 4.320 0.001 0.000 0.277 92 K C 0.144 176.776 176.600 0.054 0.000 1.025 92 K CA 1.407 57.716 56.287 0.036 0.000 1.112 92 K CB 0.184 32.700 32.500 0.027 0.000 0.859 92 K HN 0.884 nan 8.250 nan 0.000 0.485 93 T N -1.135 113.454 114.554 0.059 0.000 2.716 93 T HA 0.562 4.912 4.350 0.001 0.000 0.286 93 T C -1.188 173.528 174.700 0.026 0.000 1.052 93 T CA -0.931 61.220 62.100 0.084 0.000 1.024 93 T CB 2.361 71.333 68.868 0.174 0.000 1.349 93 T HN 0.434 nan 8.240 nan 0.000 0.525 94 D N -1.257 119.130 120.400 -0.021 0.000 2.301 94 D HA 0.481 5.121 4.640 0.001 0.000 0.203 94 D C -0.162 176.057 176.300 -0.135 0.000 1.300 94 D CA 1.138 55.103 54.000 -0.058 0.000 0.899 94 D CB 0.565 41.339 40.800 -0.044 0.000 1.597 94 D HN 1.408 nan 8.370 nan 0.000 0.538 95 G N 2.772 111.495 108.800 -0.129 0.000 2.619 95 G HA2 -0.126 3.834 3.960 0.001 0.000 0.686 95 G HA3 -0.126 3.834 3.960 0.001 0.000 0.686 95 G C 0.072 174.814 174.900 -0.264 0.000 1.256 95 G CA -0.400 44.594 45.100 -0.176 0.000 0.826 95 G HN 0.461 nan 8.290 nan 0.000 0.619 96 N N -0.372 118.206 118.700 -0.203 0.000 2.280 96 N HA 0.276 5.017 4.740 0.001 0.000 0.192 96 N C 0.696 176.028 175.510 -0.295 0.000 1.109 96 N CA 0.751 53.699 53.050 -0.170 0.000 0.855 96 N CB 0.714 39.180 38.487 -0.035 0.000 0.974 96 N HN 0.541 nan 8.380 nan 0.000 0.482 97 S N 0.175 115.626 115.700 -0.415 0.000 2.578 97 S HA 0.533 5.003 4.470 0.001 0.000 0.283 97 S C -0.770 173.369 174.600 -0.768 0.000 1.195 97 S CA -0.352 57.636 58.200 -0.353 0.000 1.050 97 S CB 0.768 63.984 63.200 0.027 0.000 1.012 97 S HN 0.034 nan 8.310 nan 0.000 0.511 98 F N 1.559 121.397 119.950 -0.186 0.000 2.561 98 F HA 0.478 5.006 4.527 0.001 0.000 0.313 98 F C -0.667 175.087 175.800 -0.077 0.000 1.126 98 F CA -0.930 56.995 58.000 -0.124 0.000 0.918 98 F CB 1.440 40.354 39.000 -0.143 0.000 1.199 98 F HN 0.297 nan 8.300 nan 0.000 0.444 99 L N 5.254 126.577 121.223 0.167 0.000 2.276 99 L HA 0.621 4.961 4.340 0.001 0.000 0.286 99 L C -0.932 176.001 176.870 0.104 0.000 1.024 99 L CA -0.431 54.485 54.840 0.127 0.000 0.826 99 L CB 0.421 42.520 42.059 0.068 0.000 1.211 99 L HN 0.470 nan 8.230 nan 0.000 0.422 100 I N 4.718 125.345 120.570 0.095 0.000 2.336 100 I HA 0.307 4.478 4.170 0.001 0.000 0.292 100 I C -0.402 175.753 176.117 0.062 0.000 0.991 100 I CA -0.436 60.900 61.300 0.060 0.000 1.227 100 I CB 1.183 39.207 38.000 0.040 0.000 1.366 100 I HN 0.605 nan 8.210 nan 0.000 0.466 101 N N 6.275 125.004 118.700 0.049 0.000 2.546 101 N HA 0.306 5.047 4.740 0.001 0.000 0.238 101 N C -0.913 174.632 175.510 0.058 0.000 0.984 101 N CA -0.516 52.571 53.050 0.062 0.000 0.935 101 N CB 1.173 39.694 38.487 0.057 0.000 1.122 101 N HN 0.354 nan 8.380 nan 0.000 0.510 102 L N 4.201 125.457 121.223 0.055 0.000 2.312 102 L HA 0.459 4.799 4.340 0.001 0.000 0.287 102 L C -0.829 176.069 176.870 0.047 0.000 1.091 102 L CA -0.189 54.674 54.840 0.038 0.000 0.846 102 L CB -0.260 41.812 42.059 0.023 0.000 1.219 102 L HN 0.489 nan 8.230 nan 0.000 0.439 103 I N 4.204 124.812 120.570 0.064 0.000 2.352 103 I HA 0.125 4.295 4.170 0.001 0.000 0.290 103 I C 0.339 176.470 176.117 0.023 0.000 1.036 103 I CA -0.548 60.802 61.300 0.082 0.000 1.336 103 I CB 0.927 39.025 38.000 0.163 0.000 1.407 103 I HN 0.581 nan 8.210 nan 0.000 0.497 104 D N 5.142 125.523 120.400 -0.032 0.000 2.449 104 D HA 0.124 4.765 4.640 0.001 0.000 0.236 104 D C -0.357 175.919 176.300 -0.040 0.000 1.149 104 D CA 0.369 54.335 54.000 -0.057 0.000 0.878 104 D CB 0.780 41.514 40.800 -0.110 0.000 1.198 104 D HN 0.546 nan 8.370 nan 0.000 0.446 105 S N 1.871 117.547 115.700 -0.041 0.000 2.671 105 S HA 0.777 5.247 4.470 0.001 0.000 0.299 105 S C -2.579 171.987 174.600 -0.056 0.000 1.116 105 S CA -1.375 56.809 58.200 -0.027 0.000 0.912 105 S CB 1.550 64.746 63.200 -0.007 0.000 1.130 105 S HN 0.301 nan 8.310 nan 0.000 0.501 106 P HA 0.401 nan 4.420 nan 0.000 0.286 106 P C 0.769 178.065 177.300 -0.008 0.000 1.293 106 P CA -0.359 62.696 63.100 -0.076 0.000 0.770 106 P CB 0.177 31.885 31.700 0.013 0.000 1.206 107 G N -2.176 106.659 108.800 0.059 0.000 2.727 107 G HA2 0.025 3.985 3.960 0.001 0.000 0.203 107 G HA3 0.025 3.985 3.960 0.001 0.000 0.203 107 G C -0.086 174.872 174.900 0.095 0.000 1.117 107 G CA 0.698 45.833 45.100 0.058 0.000 0.817 107 G HN 0.504 nan 8.290 nan 0.000 0.553 108 H N -1.090 118.120 119.070 0.233 0.000 2.573 108 H HA 0.490 5.046 4.556 0.001 0.000 0.351 108 H C 1.097 176.526 175.328 0.167 0.000 1.163 108 H CA -0.621 55.501 56.048 0.124 0.000 1.205 108 H CB 2.352 32.130 29.762 0.026 0.000 1.605 108 H HN -0.163 nan 8.280 nan 0.000 0.525 109 V N 1.712 121.600 119.914 -0.043 0.000 2.667 109 V HA -0.171 3.950 4.120 0.001 0.000 0.252 109 V C 1.205 177.345 176.094 0.077 0.000 1.065 109 V CA 1.562 63.929 62.300 0.112 0.000 1.083 109 V CB -0.312 31.559 31.823 0.079 0.000 0.692 109 V HN 0.799 nan 8.190 nan 0.000 0.468 110 D N 0.476 120.930 120.400 0.091 0.000 2.271 110 D HA -0.165 4.475 4.640 0.001 0.000 0.207 110 D C 1.430 177.581 176.300 -0.247 0.000 0.983 110 D CA 1.195 55.095 54.000 -0.167 0.000 0.878 110 D CB -0.313 40.306 40.800 -0.301 0.000 0.920 110 D HN 0.472 nan 8.370 nan 0.000 0.479 111 F N 1.324 121.291 119.950 0.030 0.000 2.754 111 F HA 0.014 4.541 4.527 0.001 0.000 0.303 111 F C 1.926 177.733 175.800 0.010 0.000 1.196 111 F CA -0.244 57.768 58.000 0.020 0.000 1.416 111 F CB -0.698 38.332 39.000 0.051 0.000 1.092 111 F HN -0.190 nan 8.300 nan 0.000 0.541 112 S N 0.236 115.951 115.700 0.026 0.000 2.472 112 S HA -0.417 4.053 4.470 0.001 0.000 0.292 112 S C 2.291 176.966 174.600 0.124 0.000 1.175 112 S CA 2.389 60.533 58.200 -0.094 0.000 1.249 112 S CB -1.187 61.736 63.200 -0.461 0.000 1.208 112 S HN 0.585 nan 8.310 nan 0.000 0.442 113 S N 2.639 118.389 115.700 0.083 0.000 2.365 113 S HA -0.253 4.217 4.470 0.001 0.000 0.225 113 S C 1.845 176.543 174.600 0.163 0.000 1.039 113 S CA 1.611 59.887 58.200 0.126 0.000 1.033 113 S CB -0.715 62.548 63.200 0.106 0.000 0.887 113 S HN 0.911 nan 8.310 nan 0.000 0.447 114 E N 1.183 121.486 120.200 0.170 0.000 2.435 114 E HA 0.052 4.403 4.350 0.001 0.000 0.195 114 E C 1.621 178.308 176.600 0.145 0.000 1.029 114 E CA 0.441 56.925 56.400 0.140 0.000 0.865 114 E CB -0.310 29.440 29.700 0.083 0.000 0.833 114 E HN 0.393 nan 8.360 nan 0.000 0.510 115 V N 1.684 121.714 119.914 0.193 0.000 2.283 115 V HA -0.221 3.900 4.120 0.001 0.000 0.243 115 V C 2.302 178.494 176.094 0.163 0.000 1.039 115 V CA 2.245 64.659 62.300 0.189 0.000 1.016 115 V CB -0.737 31.266 31.823 0.300 0.000 0.650 115 V HN 0.377 nan 8.190 nan 0.000 0.449 116 T N 0.587 115.260 114.554 0.199 0.000 2.803 116 T HA -0.172 4.179 4.350 0.001 0.000 0.269 116 T C 2.005 176.800 174.700 0.158 0.000 1.052 116 T CA 1.486 63.684 62.100 0.163 0.000 1.136 116 T CB -0.421 68.559 68.868 0.186 0.000 0.864 116 T HN 0.556 nan 8.240 nan 0.000 0.467 117 A N 1.573 124.500 122.820 0.178 0.000 1.877 117 A HA 0.170 4.490 4.320 0.001 0.000 0.216 117 A C 2.687 180.399 177.584 0.212 0.000 1.186 117 A CA 1.797 53.961 52.037 0.212 0.000 0.620 117 A CB -1.213 17.902 19.000 0.192 0.000 0.822 117 A HN 0.512 nan 8.150 nan 0.000 0.443 118 A N -0.162 122.757 122.820 0.165 0.000 1.858 118 A HA -0.049 4.272 4.320 0.001 0.000 0.216 118 A C 2.199 179.861 177.584 0.131 0.000 1.190 118 A CA 1.506 53.636 52.037 0.154 0.000 0.617 118 A CB -0.751 18.308 19.000 0.099 0.000 0.827 118 A HN 0.469 nan 8.150 nan 0.000 0.443 119 L N -1.153 120.128 121.223 0.097 0.000 1.971 119 L HA -0.262 4.078 4.340 0.001 0.000 0.215 119 L C 2.760 179.673 176.870 0.071 0.000 1.072 119 L CA 2.113 56.993 54.840 0.066 0.000 0.758 119 L CB -0.581 41.502 42.059 0.040 0.000 0.889 119 L HN 0.440 nan 8.230 nan 0.000 0.433 120 R N 0.050 120.596 120.500 0.077 0.000 2.276 120 R HA -0.166 4.174 4.340 0.001 0.000 0.243 120 R C 1.596 177.924 176.300 0.046 0.000 1.161 120 R CA 1.563 57.680 56.100 0.029 0.000 1.007 120 R CB -0.078 30.223 30.300 0.002 0.000 0.867 120 R HN 0.502 nan 8.270 nan 0.000 0.472 121 V N -3.157 116.827 119.914 0.116 0.000 3.578 121 V HA 0.219 4.339 4.120 0.001 0.000 0.290 121 V C 0.478 176.609 176.094 0.062 0.000 1.376 121 V CA 0.133 62.504 62.300 0.118 0.000 1.083 121 V CB 0.112 32.013 31.823 0.131 0.000 0.911 121 V HN 0.236 nan 8.190 nan 0.000 0.433 122 T N -3.214 111.381 114.554 0.068 0.000 2.952 122 T HA 0.582 4.933 4.350 0.001 0.000 0.286 122 T C 0.081 174.804 174.700 0.039 0.000 1.024 122 T CA -0.107 62.018 62.100 0.043 0.000 1.029 122 T CB 2.413 71.308 68.868 0.045 0.000 1.094 122 T HN 0.131 nan 8.240 nan 0.000 0.515 123 D N 0.352 120.767 120.400 0.025 0.000 2.531 123 D HA 0.257 4.897 4.640 0.001 0.000 0.263 123 D C 1.081 177.408 176.300 0.045 0.000 1.057 123 D CA 0.339 54.359 54.000 0.032 0.000 0.909 123 D CB 0.145 40.950 40.800 0.008 0.000 1.236 123 D HN 0.792 nan 8.370 nan 0.000 0.494 124 G N -0.277 108.537 108.800 0.023 0.000 2.667 124 G HA2 0.693 4.654 3.960 0.001 0.000 0.310 124 G HA3 0.693 4.654 3.960 0.001 0.000 0.310 124 G C -1.278 173.620 174.900 -0.004 0.000 1.259 124 G CA -0.374 44.732 45.100 0.011 0.000 1.019 124 G HN 0.208 nan 8.290 nan 0.000 0.496 125 A N -0.653 122.154 122.820 -0.023 0.000 2.540 125 A HA 0.561 4.881 4.320 0.001 0.000 0.297 125 A C -1.614 175.936 177.584 -0.057 0.000 1.056 125 A CA -0.546 51.470 52.037 -0.034 0.000 0.700 125 A CB 1.806 20.785 19.000 -0.035 0.000 1.280 125 A HN 1.389 nan 8.150 nan 0.000 0.398 126 L N 3.428 124.616 121.223 -0.059 0.000 2.314 126 L HA 0.548 4.889 4.340 0.001 0.000 0.275 126 L C -0.738 176.081 176.870 -0.085 0.000 1.068 126 L CA -0.228 54.563 54.840 -0.082 0.000 0.894 126 L CB 0.662 42.675 42.059 -0.077 0.000 1.275 126 L HN 0.424 nan 8.230 nan 0.000 0.432 127 V N 5.444 125.298 119.914 -0.100 0.000 2.470 127 V HA 0.208 4.328 4.120 0.001 0.000 0.276 127 V C 0.322 176.352 176.094 -0.107 0.000 1.040 127 V CA -0.389 61.856 62.300 -0.092 0.000 1.008 127 V CB 1.039 32.803 31.823 -0.099 0.000 0.990 127 V HN 0.435 nan 8.190 nan 0.000 0.477 128 V N 6.522 126.392 119.914 -0.072 0.000 2.370 128 V HA 0.442 4.562 4.120 0.001 0.000 0.279 128 V C 0.104 176.173 176.094 -0.042 0.000 1.029 128 V CA -0.301 61.952 62.300 -0.078 0.000 0.870 128 V CB 1.635 33.430 31.823 -0.046 0.000 0.984 128 V HN 0.640 nan 8.190 nan 0.000 0.451 129 V N 3.500 123.350 119.914 -0.106 0.000 2.919 129 V HA 0.481 4.602 4.120 0.001 0.000 0.316 129 V C -0.483 175.490 176.094 -0.200 0.000 1.077 129 V CA -0.758 61.482 62.300 -0.100 0.000 0.977 129 V CB 2.395 34.154 31.823 -0.106 0.000 1.039 129 V HN 0.951 nan 8.190 nan 0.000 0.441 130 D N 0.550 120.769 120.400 -0.302 0.000 2.175 130 D HA 0.355 4.996 4.640 0.001 0.000 0.248 130 D C 0.984 177.195 176.300 -0.148 0.000 1.047 130 D CA -0.050 53.712 54.000 -0.397 0.000 0.883 130 D CB 2.096 42.397 40.800 -0.831 0.000 1.180 130 D HN 0.544 nan 8.370 nan 0.000 0.438 131 T N 2.650 117.168 114.554 -0.060 0.000 2.614 131 T HA -0.160 4.190 4.350 0.001 0.000 0.263 131 T C 1.763 176.505 174.700 0.069 0.000 1.055 131 T CA 1.100 63.264 62.100 0.106 0.000 1.162 131 T CB -0.295 68.681 68.868 0.180 0.000 0.863 131 T HN 0.501 nan 8.240 nan 0.000 0.414 132 I N 1.323 121.907 120.570 0.022 0.000 2.113 132 I HA -0.119 4.051 4.170 0.001 0.000 0.238 132 I C 2.272 178.395 176.117 0.009 0.000 1.070 132 I CA 1.712 63.025 61.300 0.022 0.000 1.332 132 I CB -0.385 37.627 38.000 0.020 0.000 1.044 132 I HN 0.288 nan 8.210 nan 0.000 0.402 133 E N 0.471 120.659 120.200 -0.020 0.000 2.208 133 E HA 0.147 4.497 4.350 0.001 0.000 0.193 133 E C 1.477 178.076 176.600 -0.001 0.000 0.988 133 E CA 0.615 57.013 56.400 -0.004 0.000 0.828 133 E CB -0.270 29.441 29.700 0.018 0.000 0.763 133 E HN 0.686 nan 8.360 nan 0.000 0.478 134 G N 0.805 109.588 108.800 -0.027 0.000 2.498 134 G HA2 -0.305 3.656 3.960 0.001 0.000 0.251 134 G HA3 -0.305 3.656 3.960 0.001 0.000 0.251 134 G C -0.153 174.744 174.900 -0.005 0.000 1.170 134 G CA -0.232 44.863 45.100 -0.008 0.000 0.944 134 G HN 0.128 nan 8.290 nan 0.000 0.567 135 V N 1.961 121.882 119.914 0.012 0.000 2.353 135 V HA 0.418 4.539 4.120 0.001 0.000 0.264 135 V C 1.537 177.652 176.094 0.036 0.000 1.049 135 V CA -0.153 62.160 62.300 0.021 0.000 0.896 135 V CB -0.235 31.591 31.823 0.004 0.000 1.025 135 V HN 1.361 nan 8.190 nan 0.000 0.475 136 C N 4.915 124.254 119.300 0.065 0.000 2.580 136 C HA 0.454 4.914 4.460 0.001 0.000 0.371 136 C C 1.923 176.922 174.990 0.014 0.000 1.308 136 C CA -0.352 58.687 59.018 0.035 0.000 2.428 136 C CB 0.494 28.236 27.740 0.003 0.000 2.529 136 C HN 0.631 nan 8.230 nan 0.000 0.657 137 V N 1.759 121.674 119.914 0.003 0.000 2.282 137 V HA -0.275 3.846 4.120 0.001 0.000 0.249 137 V C 2.794 178.886 176.094 -0.003 0.000 1.057 137 V CA 2.667 64.966 62.300 -0.000 0.000 1.032 137 V CB -1.495 30.327 31.823 -0.000 0.000 0.645 137 V HN 1.068 nan 8.190 nan 0.000 0.447 138 Q N 0.218 120.025 119.800 0.012 0.000 2.014 138 Q HA -0.262 4.079 4.340 0.001 0.000 0.207 138 Q C 2.226 178.221 176.000 -0.008 0.000 0.993 138 Q CA 2.847 58.657 55.803 0.013 0.000 0.850 138 Q CB -0.480 28.292 28.738 0.056 0.000 0.916 138 Q HN 0.614 nan 8.270 nan 0.000 0.417 139 T N 0.839 115.400 114.554 0.012 0.000 2.803 139 T HA -0.198 4.152 4.350 0.001 0.000 0.269 139 T C 1.510 176.184 174.700 -0.044 0.000 1.052 139 T CA 1.475 63.571 62.100 -0.007 0.000 1.136 139 T CB -0.238 68.649 68.868 0.031 0.000 0.864 139 T HN 0.458 nan 8.240 nan 0.000 0.467 140 E N 0.336 120.513 120.200 -0.039 0.000 2.077 140 E HA -0.146 4.205 4.350 0.001 0.000 0.193 140 E C 2.116 178.644 176.600 -0.121 0.000 0.989 140 E CA 1.327 57.693 56.400 -0.058 0.000 0.800 140 E CB -0.019 29.663 29.700 -0.030 0.000 0.746 140 E HN 0.388 nan 8.360 nan 0.000 0.452 141 T N 0.435 114.911 114.554 -0.129 0.000 2.737 141 T HA -0.109 4.241 4.350 0.001 0.000 0.265 141 T C 1.944 176.436 174.700 -0.346 0.000 1.038 141 T CA 1.320 63.288 62.100 -0.220 0.000 1.144 141 T CB -0.165 68.624 68.868 -0.132 0.000 0.866 141 T HN 0.030 nan 8.240 nan 0.000 0.434 142 V N 1.774 121.527 119.914 -0.267 0.000 2.407 142 V HA -0.114 4.006 4.120 0.001 0.000 0.248 142 V C 2.404 178.360 176.094 -0.229 0.000 1.055 142 V CA 1.168 63.297 62.300 -0.285 0.000 1.049 142 V CB -0.757 30.979 31.823 -0.145 0.000 0.662 142 V HN 0.309 nan 8.190 nan 0.000 0.455 143 L N 0.233 121.354 121.223 -0.170 0.000 2.012 143 L HA -0.157 4.183 4.340 0.001 0.000 0.210 143 L C 2.552 179.322 176.870 -0.166 0.000 1.073 143 L CA 1.932 56.692 54.840 -0.133 0.000 0.748 143 L CB -0.765 41.238 42.059 -0.095 0.000 0.891 143 L HN 0.161 nan 8.230 nan 0.000 0.431 144 R N -0.984 119.367 120.500 -0.249 0.000 2.097 144 R HA -0.214 4.126 4.340 0.001 0.000 0.236 144 R C 2.279 178.418 176.300 -0.267 0.000 1.135 144 R CA 1.976 57.869 56.100 -0.344 0.000 0.934 144 R CB -0.420 29.552 30.300 -0.546 0.000 0.846 144 R HN 0.502 nan 8.270 nan 0.000 0.431 145 Q N -0.200 119.406 119.800 -0.324 0.000 2.045 145 Q HA -0.175 4.165 4.340 0.001 0.000 0.206 145 Q C 2.129 178.041 176.000 -0.147 0.000 0.991 145 Q CA 1.950 57.591 55.803 -0.270 0.000 0.851 145 Q CB -0.544 27.946 28.738 -0.414 0.000 0.911 145 Q HN 0.391 nan 8.270 nan 0.000 0.418 146 A N 0.808 123.549 122.820 -0.132 0.000 1.940 146 A HA -0.154 4.166 4.320 0.001 0.000 0.219 146 A C 2.284 179.843 177.584 -0.043 0.000 1.176 146 A CA 1.241 53.237 52.037 -0.068 0.000 0.631 146 A CB -0.733 18.229 19.000 -0.064 0.000 0.814 146 A HN 0.331 nan 8.150 nan 0.000 0.446 147 L N -0.905 120.286 121.223 -0.053 0.000 2.093 147 L HA -0.108 4.232 4.340 0.001 0.000 0.208 147 L C 2.798 179.667 176.870 -0.003 0.000 1.085 147 L CA 0.942 55.772 54.840 -0.017 0.000 0.755 147 L CB -0.771 41.293 42.059 0.008 0.000 0.904 147 L HN 0.503 nan 8.230 nan 0.000 0.435 148 G N -0.600 108.185 108.800 -0.025 0.000 2.432 148 G HA2 -0.205 3.755 3.960 0.001 0.000 0.219 148 G HA3 -0.205 3.755 3.960 0.001 0.000 0.219 148 G C 1.362 176.265 174.900 0.005 0.000 1.135 148 G CA 0.348 45.443 45.100 -0.008 0.000 0.767 148 G HN 0.274 nan 8.290 nan 0.000 0.550 149 E N 0.135 120.336 120.200 0.002 0.000 2.489 149 E HA 0.087 4.438 4.350 0.001 0.000 0.193 149 E C 0.589 177.219 176.600 0.049 0.000 1.057 149 E CA -0.221 56.188 56.400 0.014 0.000 0.866 149 E CB 0.061 29.766 29.700 0.008 0.000 0.916 149 E HN 0.389 nan 8.360 nan 0.000 0.500 150 R N 0.624 121.160 120.500 0.059 0.000 3.418 150 R HA -0.136 4.204 4.340 0.001 0.000 0.274 150 R C -0.136 176.250 176.300 0.144 0.000 1.108 150 R CA 0.317 56.482 56.100 0.110 0.000 0.741 150 R CB -1.837 28.589 30.300 0.210 0.000 1.223 150 R HN 0.115 nan 8.270 nan 0.000 0.434 151 I N 1.020 121.632 120.570 0.070 0.000 2.472 151 I HA 0.116 4.287 4.170 0.001 0.000 0.290 151 I C 0.838 176.974 176.117 0.031 0.000 1.016 151 I CA -0.456 60.879 61.300 0.059 0.000 1.348 151 I CB 1.227 39.239 38.000 0.019 0.000 1.417 151 I HN -0.050 nan 8.210 nan 0.000 0.521 152 K N 8.884 129.308 120.400 0.039 0.000 2.284 152 K HA 0.326 4.646 4.320 0.001 0.000 0.287 152 K C -2.440 174.138 176.600 -0.037 0.000 1.081 152 K CA -1.470 54.815 56.287 -0.003 0.000 0.910 152 K CB 0.583 33.099 32.500 0.026 0.000 1.088 152 K HN 0.286 nan 8.250 nan 0.000 0.478 153 P HA 0.176 nan 4.420 nan 0.000 0.279 153 P C -1.021 176.203 177.300 -0.127 0.000 1.252 153 P CA -0.596 62.447 63.100 -0.094 0.000 0.811 153 P CB 1.380 33.018 31.700 -0.105 0.000 1.035 154 V N 2.190 122.021 119.914 -0.138 0.000 2.610 154 V HA 0.151 4.271 4.120 0.001 0.000 0.298 154 V C 0.133 176.109 176.094 -0.197 0.000 1.067 154 V CA -0.648 61.547 62.300 -0.174 0.000 0.894 154 V CB 2.235 33.981 31.823 -0.129 0.000 1.015 154 V HN 0.277 nan 8.190 nan 0.000 0.432 155 V N 5.570 125.330 119.914 -0.256 0.000 2.863 155 V HA 0.644 4.764 4.120 0.001 0.000 0.307 155 V C -0.297 175.580 176.094 -0.362 0.000 1.061 155 V CA -0.488 61.642 62.300 -0.283 0.000 1.024 155 V CB 2.056 33.701 31.823 -0.298 0.000 1.049 155 V HN 0.560 nan 8.190 nan 0.000 0.471 156 V N 4.185 123.888 119.914 -0.352 0.000 2.577 156 V HA 0.343 4.463 4.120 0.001 0.000 0.294 156 V C -0.665 175.194 176.094 -0.392 0.000 1.052 156 V CA -0.382 61.670 62.300 -0.414 0.000 0.891 156 V CB 1.793 33.436 31.823 -0.300 0.000 1.017 156 V HN 0.598 nan 8.190 nan 0.000 0.436 157 I N 4.296 124.555 120.570 -0.519 0.000 2.308 157 I HA 0.275 4.446 4.170 0.001 0.000 0.293 157 I C 0.441 176.372 176.117 -0.310 0.000 1.078 157 I CA 0.345 61.425 61.300 -0.366 0.000 1.292 157 I CB 0.656 38.426 38.000 -0.383 0.000 1.423 157 I HN 0.646 nan 8.210 nan 0.000 0.493 158 N N 6.058 124.608 118.700 -0.249 0.000 2.447 158 N HA 0.255 4.995 4.740 0.001 0.000 0.271 158 N C -0.267 175.124 175.510 -0.199 0.000 1.226 158 N CA -0.349 52.553 53.050 -0.247 0.000 0.980 158 N CB 0.784 39.150 38.487 -0.202 0.000 1.206 158 N HN 0.320 nan 8.380 nan 0.000 0.558 159 K N -0.428 119.844 120.400 -0.213 0.000 3.244 159 K HA -0.134 4.186 4.320 0.001 0.000 0.270 159 K C 0.216 176.775 176.600 -0.070 0.000 1.016 159 K CA 0.195 56.393 56.287 -0.148 0.000 0.754 159 K CB -2.438 29.995 32.500 -0.111 0.000 1.326 159 K HN 0.255 nan 8.250 nan 0.000 0.465 160 V N 0.557 120.422 119.914 -0.082 0.000 2.488 160 V HA -0.248 3.873 4.120 0.001 0.000 0.246 160 V C 2.469 178.655 176.094 0.154 0.000 1.046 160 V CA 2.321 64.690 62.300 0.115 0.000 1.053 160 V CB -0.407 31.547 31.823 0.218 0.000 0.679 160 V HN 0.682 nan 8.190 nan 0.000 0.458 161 D N 0.901 121.382 120.400 0.134 0.000 2.116 161 D HA -0.327 4.313 4.640 0.001 0.000 0.193 161 D C 2.060 178.476 176.300 0.192 0.000 0.998 161 D CA 1.645 55.793 54.000 0.246 0.000 0.836 161 D CB -0.426 40.366 40.800 -0.013 0.000 0.951 161 D HN 0.241 nan 8.370 nan 0.000 0.449 162 R N 0.583 121.141 120.500 0.096 0.000 2.200 162 R HA -0.001 4.340 4.340 0.001 0.000 0.234 162 R C 1.923 178.286 176.300 0.104 0.000 1.127 162 R CA 1.437 57.593 56.100 0.093 0.000 0.989 162 R CB -0.779 29.549 30.300 0.047 0.000 0.869 162 R HN 0.386 nan 8.270 nan 0.000 0.459 163 A N -0.328 122.559 122.820 0.112 0.000 1.903 163 A HA 0.064 4.384 4.320 0.001 0.000 0.213 163 A C 1.994 179.652 177.584 0.123 0.000 1.185 163 A CA 1.059 53.159 52.037 0.105 0.000 0.628 163 A CB -0.209 18.854 19.000 0.104 0.000 0.830 163 A HN 0.303 nan 8.150 nan 0.000 0.446 164 L N -0.993 120.316 121.223 0.144 0.000 2.121 164 L HA 0.082 4.422 4.340 0.001 0.000 0.200 164 L C 2.243 179.249 176.870 0.227 0.000 1.077 164 L CA 0.542 55.494 54.840 0.186 0.000 0.766 164 L CB -0.922 41.197 42.059 0.100 0.000 0.931 164 L HN 0.193 nan 8.230 nan 0.000 0.452 165 L N -0.011 121.373 121.223 0.268 0.000 2.353 165 L HA -0.141 4.200 4.340 0.001 0.000 0.220 165 L C 2.373 179.342 176.870 0.166 0.000 1.133 165 L CA 1.099 56.083 54.840 0.240 0.000 0.798 165 L CB -0.313 41.906 42.059 0.266 0.000 0.922 165 L HN 0.413 nan 8.230 nan 0.000 0.445 166 E N -0.858 119.428 120.200 0.144 0.000 2.372 166 E HA 0.106 4.456 4.350 0.001 0.000 0.201 166 E C -0.170 176.487 176.600 0.094 0.000 0.938 166 E CA 0.033 56.498 56.400 0.109 0.000 0.944 166 E CB 0.663 30.420 29.700 0.096 0.000 0.937 166 E HN 0.151 nan 8.360 nan 0.000 0.495 167 L N 0.229 121.513 121.223 0.101 0.000 2.303 167 L HA 0.315 4.655 4.340 0.001 0.000 0.256 167 L C -0.524 176.401 176.870 0.093 0.000 1.034 167 L CA -0.702 54.189 54.840 0.084 0.000 0.832 167 L CB 1.431 43.533 42.059 0.072 0.000 1.403 167 L HN -0.180 nan 8.230 nan 0.000 0.419 168 Q N 0.808 120.651 119.800 0.071 0.000 2.472 168 Q HA 0.465 4.805 4.340 0.001 0.000 0.227 168 Q C -1.094 174.941 176.000 0.057 0.000 1.156 168 Q CA -0.143 55.699 55.803 0.064 0.000 0.924 168 Q CB 1.420 30.183 28.738 0.041 0.000 1.354 168 Q HN 0.364 nan 8.270 nan 0.000 0.525 169 V N 2.454 122.419 119.914 0.085 0.000 2.531 169 V HA 0.321 4.441 4.120 0.001 0.000 0.301 169 V C -0.152 175.983 176.094 0.069 0.000 1.034 169 V CA -0.439 61.907 62.300 0.077 0.000 0.865 169 V CB 2.062 33.942 31.823 0.096 0.000 0.995 169 V HN 0.844 nan 8.190 nan 0.000 0.424 170 S N 5.760 121.452 115.700 -0.013 0.000 2.608 170 S HA 0.316 4.786 4.470 0.001 0.000 0.261 170 S C 1.006 175.556 174.600 -0.083 0.000 1.314 170 S CA -0.443 57.680 58.200 -0.128 0.000 0.992 170 S CB 0.843 63.978 63.200 -0.108 0.000 0.935 170 S HN 0.774 nan 8.310 nan 0.000 0.564 171 K N 0.757 121.011 120.400 -0.243 0.000 2.002 171 K HA -0.183 4.137 4.320 0.001 0.000 0.209 171 K C 2.302 178.945 176.600 0.070 0.000 1.048 171 K CA 1.730 58.014 56.287 -0.005 0.000 0.930 171 K CB -0.383 32.041 32.500 -0.127 0.000 0.714 171 K HN 0.810 nan 8.250 nan 0.000 0.438 172 E N 1.735 121.933 120.200 -0.002 0.000 2.049 172 E HA -0.241 4.109 4.350 0.001 0.000 0.198 172 E C 1.431 178.081 176.600 0.084 0.000 1.007 172 E CA 2.179 58.603 56.400 0.040 0.000 0.809 172 E CB -0.178 29.516 29.700 -0.010 0.000 0.749 172 E HN 0.167 nan 8.360 nan 0.000 0.450 173 D N -0.115 120.305 120.400 0.033 0.000 2.133 173 D HA -0.174 4.467 4.640 0.001 0.000 0.195 173 D C 1.867 178.160 176.300 -0.012 0.000 0.997 173 D CA 1.248 55.261 54.000 0.020 0.000 0.840 173 D CB -0.447 40.360 40.800 0.011 0.000 0.947 173 D HN 0.249 nan 8.370 nan 0.000 0.452 174 L N -0.299 120.912 121.223 -0.020 0.000 2.083 174 L HA -0.153 4.187 4.340 0.001 0.000 0.209 174 L C 2.101 178.710 176.870 -0.436 0.000 1.083 174 L CA 1.508 56.224 54.840 -0.206 0.000 0.752 174 L CB -0.841 41.170 42.059 -0.081 0.000 0.899 174 L HN 0.110 nan 8.230 nan 0.000 0.433 175 Y N -0.292 119.884 120.300 -0.206 0.000 2.163 175 Y HA -0.227 4.323 4.550 0.001 0.000 0.288 175 Y C 2.527 178.377 175.900 -0.084 0.000 1.136 175 Y CA 1.845 59.887 58.100 -0.097 0.000 1.147 175 Y CB -0.270 38.190 38.460 0.000 0.000 0.987 175 Y HN 0.246 nan 8.280 nan 0.000 0.509 176 Q N -0.076 119.718 119.800 -0.009 0.000 2.197 176 Q HA -0.176 4.165 4.340 0.001 0.000 0.207 176 Q C 2.099 178.048 176.000 -0.085 0.000 0.984 176 Q CA 2.048 57.820 55.803 -0.051 0.000 0.869 176 Q CB -0.629 28.136 28.738 0.045 0.000 0.906 176 Q HN 0.548 nan 8.270 nan 0.000 0.426 177 T N 1.029 115.516 114.554 -0.110 0.000 2.639 177 T HA -0.108 4.243 4.350 0.001 0.000 0.261 177 T C 1.581 176.348 174.700 0.110 0.000 1.053 177 T CA 1.198 63.274 62.100 -0.041 0.000 1.158 177 T CB -0.382 68.421 68.868 -0.108 0.000 0.863 177 T HN 0.129 nan 8.240 nan 0.000 0.413 178 F N 2.133 122.138 119.950 0.092 0.000 2.087 178 F HA -0.129 4.398 4.527 0.001 0.000 0.299 178 F C 2.784 178.657 175.800 0.121 0.000 1.100 178 F CA 0.475 58.584 58.000 0.182 0.000 1.226 178 F CB -1.725 37.512 39.000 0.395 0.000 0.983 178 F HN 0.175 nan 8.300 nan 0.000 0.479 179 A N 0.258 123.183 122.820 0.176 0.000 1.892 179 A HA -0.244 4.076 4.320 0.001 0.000 0.218 179 A C 2.423 180.073 177.584 0.109 0.000 1.188 179 A CA 2.064 54.166 52.037 0.108 0.000 0.631 179 A CB -0.777 18.099 19.000 -0.206 0.000 0.822 179 A HN 0.365 nan 8.150 nan 0.000 0.447 180 R N -1.221 119.320 120.500 0.070 0.000 2.075 180 R HA -0.072 4.269 4.340 0.001 0.000 0.232 180 R C 2.339 178.680 176.300 0.068 0.000 1.126 180 R CA 1.705 57.842 56.100 0.062 0.000 0.963 180 R CB -0.799 29.528 30.300 0.045 0.000 0.858 180 R HN 0.559 nan 8.270 nan 0.000 0.435 181 T N 0.995 115.605 114.554 0.094 0.000 2.643 181 T HA -0.114 4.237 4.350 0.001 0.000 0.264 181 T C 2.009 176.728 174.700 0.031 0.000 1.045 181 T CA 1.523 63.665 62.100 0.069 0.000 1.155 181 T CB -0.273 68.658 68.868 0.106 0.000 0.863 181 T HN -0.011 nan 8.240 nan 0.000 0.420 182 V N 1.722 121.659 119.914 0.039 0.000 2.568 182 V HA -0.148 3.972 4.120 0.001 0.000 0.253 182 V C 2.601 178.695 176.094 -0.000 0.000 1.072 182 V CA 1.531 63.815 62.300 -0.026 0.000 1.084 182 V CB -0.569 31.228 31.823 -0.043 0.000 0.676 182 V HN 0.479 nan 8.190 nan 0.000 0.469 183 E N 0.142 120.368 120.200 0.044 0.000 2.076 183 E HA -0.131 4.219 4.350 0.001 0.000 0.190 183 E C 2.432 179.044 176.600 0.020 0.000 0.979 183 E CA 1.301 57.728 56.400 0.045 0.000 0.807 183 E CB 0.015 29.753 29.700 0.063 0.000 0.761 183 E HN 0.603 nan 8.360 nan 0.000 0.454 184 S N 0.491 116.202 115.700 0.018 0.000 2.359 184 S HA -0.174 4.296 4.470 0.001 0.000 0.223 184 S C 2.188 176.786 174.600 -0.002 0.000 1.039 184 S CA 1.485 59.692 58.200 0.011 0.000 1.042 184 S CB -0.485 62.723 63.200 0.013 0.000 0.915 184 S HN 0.119 nan 8.310 nan 0.000 0.439 185 V N 3.182 123.083 119.914 -0.022 0.000 2.252 185 V HA -0.248 3.873 4.120 0.001 0.000 0.249 185 V C 2.210 178.275 176.094 -0.048 0.000 1.056 185 V CA 1.881 64.154 62.300 -0.045 0.000 1.022 185 V CB -0.825 30.946 31.823 -0.087 0.000 0.641 185 V HN 0.466 nan 8.190 nan 0.000 0.445 186 N N 0.016 118.681 118.700 -0.058 0.000 2.289 186 N HA -0.124 4.616 4.740 0.001 0.000 0.184 186 N C 1.737 177.225 175.510 -0.036 0.000 1.016 186 N CA 1.368 54.379 53.050 -0.066 0.000 0.872 186 N CB -0.333 38.120 38.487 -0.057 0.000 0.973 186 N HN 0.402 nan 8.380 nan 0.000 0.433 187 V N 1.585 121.489 119.914 -0.016 0.000 2.407 187 V HA -0.191 3.929 4.120 0.001 0.000 0.248 187 V C 2.228 178.312 176.094 -0.017 0.000 1.055 187 V CA 1.231 63.521 62.300 -0.016 0.000 1.049 187 V CB -0.330 31.492 31.823 -0.002 0.000 0.662 187 V HN 0.214 nan 8.190 nan 0.000 0.455 188 I N -0.605 119.981 120.570 0.027 0.000 2.193 188 I HA -0.146 4.024 4.170 0.001 0.000 0.240 188 I C 2.382 178.564 176.117 0.108 0.000 1.084 188 I CA 1.024 62.399 61.300 0.125 0.000 1.365 188 I CB -0.478 37.591 38.000 0.115 0.000 1.064 188 I HN 0.098 nan 8.210 nan 0.000 0.410 189 V N 1.234 121.160 119.914 0.021 0.000 2.324 189 V HA -0.310 3.811 4.120 0.001 0.000 0.250 189 V C 2.644 178.718 176.094 -0.034 0.000 1.060 189 V CA 2.463 64.754 62.300 -0.015 0.000 1.042 189 V CB -0.997 30.775 31.823 -0.084 0.000 0.650 189 V HN 0.614 nan 8.190 nan 0.000 0.450 190 S N -1.021 114.644 115.700 -0.058 0.000 2.395 190 S HA -0.165 4.305 4.470 0.001 0.000 0.225 190 S C 1.911 176.443 174.600 -0.114 0.000 1.027 190 S CA 1.536 59.692 58.200 -0.072 0.000 0.965 190 S CB -0.622 62.543 63.200 -0.059 0.000 0.812 190 S HN 0.555 nan 8.310 nan 0.000 0.482 191 T N 0.840 115.284 114.554 -0.185 0.000 2.821 191 T HA 0.030 4.381 4.350 0.001 0.000 0.267 191 T C 0.892 175.274 174.700 -0.530 0.000 1.046 191 T CA 1.381 63.231 62.100 -0.416 0.000 1.139 191 T CB -0.357 68.108 68.868 -0.672 0.000 0.871 191 T HN 0.620 nan 8.240 nan 0.000 0.454 192 Y N 0.423 120.704 120.300 -0.032 0.000 2.442 192 Y HA 0.624 5.175 4.550 0.001 0.000 0.250 192 Y C 1.212 177.091 175.900 -0.036 0.000 1.113 192 Y CA -1.101 56.981 58.100 -0.030 0.000 1.273 192 Y CB -0.054 38.385 38.460 -0.036 0.000 1.138 192 Y HN 0.102 nan 8.280 nan 0.000 0.522 193 A N 0.271 123.128 122.820 0.062 0.000 2.332 193 A HA 0.264 4.585 4.320 0.001 0.000 0.258 193 A C -0.412 177.169 177.584 -0.005 0.000 1.087 193 A CA -0.471 51.575 52.037 0.014 0.000 0.802 193 A CB 0.054 19.036 19.000 -0.030 0.000 1.042 193 A HN 0.120 nan 8.150 nan 0.000 0.489 194 D N 0.586 120.975 120.400 -0.018 0.000 2.350 194 D HA 0.270 4.911 4.640 0.001 0.000 0.249 194 D C 0.904 177.177 176.300 -0.046 0.000 1.119 194 D CA 0.045 54.031 54.000 -0.024 0.000 0.886 194 D CB 1.202 41.989 40.800 -0.021 0.000 1.195 194 D HN 0.618 nan 8.370 nan 0.000 0.437 195 E N 0.945 121.124 120.200 -0.035 0.000 2.085 195 E HA -0.152 4.198 4.350 0.001 0.000 0.194 195 E C 1.904 178.474 176.600 -0.050 0.000 0.994 195 E CA 0.753 57.130 56.400 -0.039 0.000 0.801 195 E CB 0.017 29.701 29.700 -0.026 0.000 0.743 195 E HN 0.304 nan 8.360 nan 0.000 0.453 196 V N 0.828 120.714 119.914 -0.047 0.000 2.278 196 V HA -0.328 3.793 4.120 0.001 0.000 0.251 196 V C 2.311 178.343 176.094 -0.103 0.000 1.062 196 V CA 1.919 64.186 62.300 -0.055 0.000 1.038 196 V CB -0.630 31.172 31.823 -0.036 0.000 0.646 196 V HN 0.342 nan 8.190 nan 0.000 0.447 197 L N -0.148 120.983 121.223 -0.153 0.000 2.137 197 L HA -0.020 4.320 4.340 0.001 0.000 0.213 197 L C 1.364 178.125 176.870 -0.181 0.000 1.085 197 L CA 1.239 55.924 54.840 -0.258 0.000 0.760 197 L CB -1.206 40.699 42.059 -0.257 0.000 0.893 197 L HN 0.673 nan 8.230 nan 0.000 0.434 198 G N -0.049 108.684 108.800 -0.111 0.000 2.728 198 G HA2 -0.279 3.681 3.960 0.001 0.000 0.294 198 G HA3 -0.279 3.681 3.960 0.001 0.000 0.294 198 G C -0.624 174.233 174.900 -0.072 0.000 1.342 198 G CA -0.228 44.827 45.100 -0.075 0.000 0.866 198 G HN 0.306 nan 8.290 nan 0.000 0.534 199 D N -0.881 119.494 120.400 -0.042 0.000 2.426 199 D HA 0.291 4.932 4.640 0.001 0.000 0.261 199 D C 1.015 177.264 176.300 -0.085 0.000 1.245 199 D CA 0.723 54.701 54.000 -0.038 0.000 0.917 199 D CB 1.003 41.822 40.800 0.031 0.000 1.123 199 D HN 0.645 nan 8.370 nan 0.000 0.508 200 V N 3.886 123.725 119.914 -0.125 0.000 3.319 200 V HA 0.079 4.199 4.120 0.001 0.000 0.317 200 V C 0.815 176.760 176.094 -0.248 0.000 1.411 200 V CA -0.040 62.162 62.300 -0.163 0.000 1.112 200 V CB -0.437 31.308 31.823 -0.131 0.000 1.031 200 V HN 0.604 nan 8.190 nan 0.000 0.448 201 Q N 0.553 120.154 119.800 -0.332 0.000 2.474 201 Q HA 0.220 4.561 4.340 0.001 0.000 0.256 201 Q C -0.159 175.375 176.000 -0.777 0.000 1.048 201 Q CA 0.167 55.671 55.803 -0.498 0.000 0.922 201 Q CB 1.415 29.844 28.738 -0.515 0.000 1.288 201 Q HN 0.447 nan 8.270 nan 0.000 0.484 202 V N -0.065 119.460 119.914 -0.648 0.000 2.407 202 V HA 0.405 4.526 4.120 0.001 0.000 0.278 202 V C -1.197 174.556 176.094 -0.570 0.000 1.037 202 V CA -0.700 61.256 62.300 -0.573 0.000 0.900 202 V CB 0.340 31.937 31.823 -0.377 0.000 0.983 202 V HN 0.507 nan 8.190 nan 0.000 0.459 203 Y N 4.552 124.696 120.300 -0.260 0.000 2.338 203 Y HA 0.489 5.040 4.550 0.000 0.000 0.328 203 Y C -1.951 173.725 175.900 -0.372 0.000 0.965 203 Y CA -2.648 55.281 58.100 -0.285 0.000 1.208 203 Y CB 1.971 40.323 38.460 -0.181 0.000 1.132 203 Y HN 0.418 nan 8.280 nan 0.000 0.469 204 P HA -0.274 nan 4.420 nan 0.000 0.216 204 P C 1.360 178.534 177.300 -0.210 0.000 1.154 204 P CA 2.721 65.526 63.100 -0.490 0.000 0.865 204 P CB 0.340 31.304 31.700 -1.226 0.000 0.789 205 A N -0.738 121.963 122.820 -0.198 0.000 2.024 205 A HA -0.180 4.140 4.320 0.001 0.000 0.220 205 A C 2.156 179.770 177.584 0.049 0.000 1.164 205 A CA 1.341 53.400 52.037 0.036 0.000 0.643 205 A CB -0.788 18.260 19.000 0.080 0.000 0.806 205 A HN 0.030 nan 8.150 nan 0.000 0.451 206 R N -1.422 119.085 120.500 0.012 0.000 2.317 206 R HA 0.113 4.453 4.340 0.001 0.000 0.208 206 R C 1.128 177.412 176.300 -0.026 0.000 0.914 206 R CA 0.752 56.865 56.100 0.021 0.000 1.060 206 R CB -0.279 30.045 30.300 0.040 0.000 1.015 206 R HN 0.783 nan 8.270 nan 0.000 0.498 207 G N 1.249 110.023 108.800 -0.044 0.000 2.160 207 G HA2 -0.268 3.693 3.960 0.001 0.000 0.244 207 G HA3 -0.268 3.693 3.960 0.001 0.000 0.244 207 G C 0.510 175.278 174.900 -0.221 0.000 1.022 207 G CA 0.817 45.910 45.100 -0.012 0.000 0.741 207 G HN 0.388 nan 8.290 nan 0.000 0.508 208 T N -3.300 111.016 114.554 -0.397 0.000 3.182 208 T HA 0.600 4.950 4.350 0.001 0.000 0.277 208 T C 0.123 174.600 174.700 -0.372 0.000 1.013 208 T CA 0.253 62.071 62.100 -0.471 0.000 0.900 208 T CB 1.170 69.696 68.868 -0.569 0.000 1.098 208 T HN 0.888 nan 8.240 nan 0.000 0.543 209 V N 1.206 120.893 119.914 -0.379 0.000 2.668 209 V HA 0.815 4.935 4.120 0.001 0.000 0.304 209 V C -0.386 175.308 176.094 -0.667 0.000 1.071 209 V CA -1.059 60.909 62.300 -0.553 0.000 0.894 209 V CB 1.424 32.863 31.823 -0.640 0.000 1.008 209 V HN 0.634 nan 8.190 nan 0.000 0.425 210 A N 4.589 126.953 122.820 -0.761 0.000 2.354 210 A HA 1.027 5.348 4.320 0.001 0.000 0.321 210 A C -1.264 175.653 177.584 -1.111 0.000 1.125 210 A CA -0.460 51.156 52.037 -0.702 0.000 0.799 210 A CB 1.267 20.034 19.000 -0.389 0.000 1.293 210 A HN 0.650 nan 8.150 nan 0.000 0.452 211 F N -0.049 119.440 119.950 -0.768 0.000 2.563 211 F HA 0.805 5.332 4.527 0.001 0.000 0.316 211 F C 0.787 176.123 175.800 -0.774 0.000 1.076 211 F CA 0.170 57.678 58.000 -0.820 0.000 0.921 211 F CB 2.725 41.151 39.000 -0.956 0.000 1.209 211 F HN 1.041 nan 8.300 nan 0.000 0.462 212 G N 0.223 108.699 108.800 -0.540 0.000 2.336 212 G HA2 0.424 4.384 3.960 0.001 0.000 0.286 212 G HA3 0.424 4.384 3.960 0.001 0.000 0.286 212 G C -1.953 172.288 174.900 -1.098 0.000 1.269 212 G CA -0.687 43.774 45.100 -1.065 0.000 0.873 212 G HN 0.736 nan 8.290 nan 0.000 0.494 213 S N -1.139 113.776 115.700 -1.308 0.000 2.736 213 S HA 0.566 5.037 4.470 0.001 0.000 0.285 213 S C 1.165 175.478 174.600 -0.480 0.000 1.163 213 S CA 0.801 58.518 58.200 -0.805 0.000 1.025 213 S CB 1.071 63.769 63.200 -0.836 0.000 1.030 213 S HN 1.864 nan 8.310 nan 0.000 0.486 214 G N 3.614 112.249 108.800 -0.275 0.000 2.408 214 G HA2 -0.094 3.867 3.960 0.001 0.000 0.217 214 G HA3 -0.094 3.867 3.960 0.001 0.000 0.217 214 G C 1.239 176.112 174.900 -0.046 0.000 1.150 214 G CA 1.040 46.060 45.100 -0.134 0.000 0.776 214 G HN 0.663 nan 8.290 nan 0.000 0.542 215 L N 0.678 121.876 121.223 -0.041 0.000 1.944 215 L HA -0.153 4.187 4.340 0.001 0.000 0.218 215 L C 2.649 179.671 176.870 0.254 0.000 1.075 215 L CA 2.273 57.170 54.840 0.095 0.000 0.767 215 L CB -0.955 41.166 42.059 0.103 0.000 0.890 215 L HN 0.293 nan 8.230 nan 0.000 0.434 216 H N 0.252 119.386 119.070 0.106 0.000 2.457 216 H HA 0.217 4.773 4.556 0.001 0.000 0.294 216 H C 1.643 177.099 175.328 0.214 0.000 1.064 216 H CA 0.435 56.616 56.048 0.221 0.000 1.330 216 H CB -0.663 29.386 29.762 0.478 0.000 1.395 216 H HN 0.585 nan 8.280 nan 0.000 0.541 217 G N -0.717 108.214 108.800 0.218 0.000 2.140 217 G HA2 -0.166 3.794 3.960 0.001 0.000 0.211 217 G HA3 -0.166 3.794 3.960 0.001 0.000 0.211 217 G C -0.043 174.991 174.900 0.224 0.000 1.013 217 G CA 0.198 45.391 45.100 0.156 0.000 0.705 217 G HN 0.504 nan 8.290 nan 0.000 0.508 218 W N -0.896 120.480 121.300 0.126 0.000 2.882 218 W HA 0.868 5.528 4.660 0.001 0.000 0.345 218 W C -0.230 176.333 176.519 0.073 0.000 1.125 218 W CA -1.365 56.051 57.345 0.118 0.000 1.167 218 W CB 1.618 31.200 29.460 0.204 0.000 1.431 218 W HN 1.244 nan 8.180 nan 0.000 0.543 219 A N 2.564 125.576 122.820 0.321 0.000 2.586 219 A HA 0.727 5.047 4.320 0.001 0.000 0.296 219 A C -2.018 175.677 177.584 0.185 0.000 1.040 219 A CA -0.732 51.347 52.037 0.070 0.000 0.701 219 A CB 0.791 19.686 19.000 -0.175 0.000 1.277 219 A HN 1.132 nan 8.150 nan 0.000 0.413 220 F N -0.690 119.364 119.950 0.173 0.000 2.664 220 F HA 0.941 5.468 4.527 0.001 0.000 0.317 220 F C -0.152 175.750 175.800 0.171 0.000 1.108 220 F CA -0.294 57.741 58.000 0.059 0.000 0.957 220 F CB 1.494 40.449 39.000 -0.075 0.000 1.365 220 F HN 0.946 nan 8.300 nan 0.000 0.475 221 T N -0.584 114.204 114.554 0.392 0.000 2.900 221 T HA 0.429 4.779 4.350 0.001 0.000 0.295 221 T C 0.547 175.564 174.700 0.528 0.000 1.044 221 T CA -0.723 61.595 62.100 0.364 0.000 0.995 221 T CB 1.484 70.437 68.868 0.142 0.000 1.072 221 T HN 0.616 nan 8.240 nan 0.000 0.473 222 I N 1.057 121.969 120.570 0.570 0.000 2.315 222 I HA -0.135 4.036 4.170 0.001 0.000 0.251 222 I C 2.541 178.892 176.117 0.390 0.000 1.125 222 I CA 1.426 63.064 61.300 0.563 0.000 1.392 222 I CB -1.207 37.075 38.000 0.469 0.000 1.065 222 I HN 0.842 nan 8.210 nan 0.000 0.424 223 R N 0.585 121.246 120.500 0.268 0.000 2.189 223 R HA -0.159 4.182 4.340 0.001 0.000 0.223 223 R C 2.124 178.510 176.300 0.144 0.000 1.092 223 R CA 1.000 57.211 56.100 0.185 0.000 0.989 223 R CB 0.090 30.474 30.300 0.139 0.000 0.876 223 R HN 0.492 nan 8.270 nan 0.000 0.457 224 Q N -0.826 119.048 119.800 0.125 0.000 2.033 224 Q HA -0.090 4.251 4.340 0.001 0.000 0.196 224 Q C 1.714 177.713 176.000 -0.002 0.000 0.970 224 Q CA 1.269 57.067 55.803 -0.008 0.000 0.828 224 Q CB -0.054 28.607 28.738 -0.128 0.000 0.895 224 Q HN 0.277 nan 8.270 nan 0.000 0.440 225 F N 0.746 120.759 119.950 0.104 0.000 2.216 225 F HA -0.111 4.416 4.527 0.001 0.000 0.300 225 F C 2.252 178.152 175.800 0.168 0.000 1.085 225 F CA 1.022 59.073 58.000 0.086 0.000 1.326 225 F CB -0.536 38.578 39.000 0.189 0.000 1.027 225 F HN 0.067 nan 8.300 nan 0.000 0.497 226 A N -1.121 121.922 122.820 0.371 0.000 2.066 226 A HA -0.093 4.227 4.320 0.001 0.000 0.218 226 A C 2.139 179.822 177.584 0.165 0.000 1.157 226 A CA 1.860 54.062 52.037 0.276 0.000 0.670 226 A CB -0.996 18.142 19.000 0.230 0.000 0.804 226 A HN 0.321 nan 8.150 nan 0.000 0.453 227 T N -0.683 113.936 114.554 0.108 0.000 3.054 227 T HA 0.014 4.364 4.350 0.001 0.000 0.259 227 T C 1.965 176.666 174.700 0.002 0.000 1.092 227 T CA 0.899 63.027 62.100 0.046 0.000 1.121 227 T CB -0.022 68.859 68.868 0.021 0.000 0.912 227 T HN 0.541 nan 8.240 nan 0.000 0.489 228 R N 0.326 120.812 120.500 -0.024 0.000 2.048 228 R HA 0.090 4.431 4.340 0.001 0.000 0.224 228 R C 1.738 177.919 176.300 -0.197 0.000 1.163 228 R CA 0.961 56.972 56.100 -0.148 0.000 0.956 228 R CB -0.546 29.619 30.300 -0.226 0.000 0.849 228 R HN 0.290 nan 8.270 nan 0.000 0.435 229 Y N 1.186 121.455 120.300 -0.050 0.000 2.716 229 Y HA -0.074 4.476 4.550 0.001 0.000 0.302 229 Y C 2.013 177.896 175.900 -0.029 0.000 1.160 229 Y CA 0.564 58.601 58.100 -0.106 0.000 1.362 229 Y CB -0.507 37.945 38.460 -0.013 0.000 0.988 229 Y HN 0.239 nan 8.280 nan 0.000 0.546 230 A N 0.213 123.088 122.820 0.091 0.000 1.871 230 A HA -0.046 4.274 4.320 0.001 0.000 0.211 230 A C 2.378 179.989 177.584 0.045 0.000 1.207 230 A CA 1.030 53.116 52.037 0.082 0.000 0.620 230 A CB -0.218 18.820 19.000 0.065 0.000 0.860 230 A HN 0.259 nan 8.150 nan 0.000 0.450 231 K N 0.360 120.754 120.400 -0.011 0.000 1.980 231 K HA -0.053 4.268 4.320 0.001 0.000 0.208 231 K C 1.692 178.268 176.600 -0.040 0.000 1.043 231 K CA 1.766 58.040 56.287 -0.021 0.000 0.938 231 K CB -0.577 31.901 32.500 -0.037 0.000 0.724 231 K HN 0.265 nan 8.250 nan 0.000 0.438 232 K N -0.743 119.564 120.400 -0.155 0.000 2.281 232 K HA -0.091 4.230 4.320 0.001 0.000 0.203 232 K C 1.502 178.054 176.600 -0.080 0.000 1.046 232 K CA 1.250 57.404 56.287 -0.223 0.000 0.938 232 K CB -0.072 32.145 32.500 -0.472 0.000 0.737 232 K HN 0.159 nan 8.250 nan 0.000 0.458 233 F N -0.629 119.341 119.950 0.033 0.000 2.727 233 F HA 0.278 4.805 4.527 0.001 0.000 0.302 233 F C 0.723 176.542 175.800 0.033 0.000 1.107 233 F CA -0.019 57.998 58.000 0.028 0.000 1.277 233 F CB 0.543 39.548 39.000 0.008 0.000 1.079 233 F HN -0.029 nan 8.300 nan 0.000 0.594 234 G N 1.658 110.574 108.800 0.193 0.000 3.313 234 G HA2 0.127 4.088 3.960 0.001 0.000 0.563 234 G HA3 0.127 4.088 3.960 0.001 0.000 0.563 234 G C -0.931 174.036 174.900 0.111 0.000 1.037 234 G CA -0.180 44.996 45.100 0.127 0.000 0.848 234 G HN 0.376 nan 8.290 nan 0.000 0.416 235 V N 2.010 121.973 119.914 0.082 0.000 2.845 235 V HA 0.325 4.445 4.120 0.001 0.000 0.267 235 V C -0.576 175.545 176.094 0.046 0.000 1.866 235 V CA -0.175 62.160 62.300 0.059 0.000 0.887 235 V CB 1.714 33.570 31.823 0.055 0.000 1.379 235 V HN 1.651 nan 8.190 nan 0.000 0.420 236 D N 1.933 122.351 120.400 0.030 0.000 2.304 236 D HA 0.320 4.961 4.640 0.001 0.000 0.250 236 D C 0.966 177.284 176.300 0.030 0.000 1.107 236 D CA -0.148 53.869 54.000 0.028 0.000 0.885 236 D CB 1.009 41.822 40.800 0.021 0.000 1.192 236 D HN 0.715 nan 8.370 nan 0.000 0.436 237 K N 1.800 122.225 120.400 0.042 0.000 2.362 237 K HA -0.121 4.200 4.320 0.001 0.000 0.200 237 K C 1.683 178.314 176.600 0.052 0.000 1.046 237 K CA 0.711 57.033 56.287 0.058 0.000 0.952 237 K CB -0.214 32.329 32.500 0.071 0.000 0.753 237 K HN 0.393 nan 8.250 nan 0.000 0.466 238 A N 3.414 126.256 122.820 0.036 0.000 1.873 238 A HA -0.241 4.080 4.320 0.001 0.000 0.218 238 A C 2.029 179.624 177.584 0.018 0.000 1.193 238 A CA 2.118 54.174 52.037 0.032 0.000 0.629 238 A CB -0.455 18.558 19.000 0.022 0.000 0.826 238 A HN 0.599 nan 8.150 nan 0.000 0.447 239 K N -1.853 118.542 120.400 -0.010 0.000 2.400 239 K HA 0.172 4.492 4.320 0.001 0.000 0.194 239 K C 1.663 178.208 176.600 -0.091 0.000 1.033 239 K CA 0.953 57.208 56.287 -0.053 0.000 1.021 239 K CB -0.136 32.317 32.500 -0.079 0.000 0.808 239 K HN 0.334 nan 8.250 nan 0.000 0.505 240 M N 2.515 122.091 119.600 -0.039 0.000 2.193 240 M HA 0.058 4.539 4.480 0.001 0.000 0.265 240 M C 2.110 178.439 176.300 0.049 0.000 1.071 240 M CA 1.439 56.721 55.300 -0.031 0.000 1.140 240 M CB -0.199 32.430 32.600 0.048 0.000 1.369 240 M HN 0.345 nan 8.290 nan 0.000 0.423 241 M N -2.549 117.112 119.600 0.101 0.000 2.349 241 M HA -0.002 4.479 4.480 0.001 0.000 0.266 241 M C 1.289 177.682 176.300 0.156 0.000 1.076 241 M CA 1.603 57.006 55.300 0.173 0.000 1.126 241 M CB -0.806 31.901 32.600 0.177 0.000 1.392 241 M HN 0.027 nan 8.290 nan 0.000 0.440 242 D N 1.510 121.957 120.400 0.079 0.000 2.178 242 D HA -0.077 4.564 4.640 0.001 0.000 0.202 242 D C 2.089 178.426 176.300 0.061 0.000 0.974 242 D CA 1.100 55.139 54.000 0.065 0.000 0.841 242 D CB 0.020 40.826 40.800 0.009 0.000 0.953 242 D HN 0.511 nan 8.370 nan 0.000 0.478 243 R N -0.194 120.300 120.500 -0.010 0.000 2.100 243 R HA 0.117 4.457 4.340 0.001 0.000 0.220 243 R C 2.439 178.801 176.300 0.104 0.000 1.091 243 R CA 0.111 56.176 56.100 -0.058 0.000 0.986 243 R CB -0.156 29.912 30.300 -0.387 0.000 0.888 243 R HN 0.196 nan 8.270 nan 0.000 0.444 244 L N -0.066 121.283 121.223 0.210 0.000 2.556 244 L HA -0.116 4.225 4.340 0.001 0.000 0.230 244 L C 0.898 178.043 176.870 0.459 0.000 1.163 244 L CA 0.701 55.762 54.840 0.368 0.000 0.819 244 L CB -0.253 42.071 42.059 0.442 0.000 0.939 244 L HN 0.314 nan 8.230 nan 0.000 0.452 245 W N -0.322 121.059 121.300 0.134 0.000 2.962 245 W HA 0.443 5.103 4.660 0.000 0.000 0.341 245 W C 0.504 177.041 176.519 0.031 0.000 1.155 245 W CA 0.292 57.683 57.345 0.077 0.000 1.165 245 W CB 1.660 31.165 29.460 0.075 0.000 1.435 245 W HN 0.055 nan 8.180 nan 0.000 0.546 246 G N 2.983 111.400 108.800 -0.638 0.000 2.525 246 G HA2 -0.241 3.719 3.960 0.001 0.000 0.248 246 G HA3 -0.241 3.719 3.960 0.001 0.000 0.248 246 G C -0.856 173.837 174.900 -0.346 0.000 1.238 246 G CA -0.009 44.901 45.100 -0.318 0.000 0.926 246 G HN 0.482 nan 8.290 nan 0.000 0.574 247 D N 1.818 122.096 120.400 -0.203 0.000 2.467 247 D HA 0.557 5.198 4.640 0.001 0.000 0.220 247 D C -0.417 175.719 176.300 -0.273 0.000 1.103 247 D CA 0.315 54.139 54.000 -0.294 0.000 0.886 247 D CB 0.962 41.807 40.800 0.076 0.000 1.025 247 D HN 0.460 nan 8.370 nan 0.000 0.514 248 S N 1.660 116.994 115.700 -0.609 0.000 2.614 248 S HA 0.519 4.990 4.470 0.001 0.000 0.275 248 S C -0.798 173.588 174.600 -0.356 0.000 1.161 248 S CA -0.700 57.405 58.200 -0.158 0.000 0.969 248 S CB 1.002 64.211 63.200 0.014 0.000 1.059 248 S HN 0.199 nan 8.310 nan 0.000 0.482 249 F N 1.551 121.687 119.950 0.309 0.000 2.577 249 F HA 0.672 5.199 4.527 0.000 0.000 0.318 249 F C -0.589 175.275 175.800 0.106 0.000 1.065 249 F CA -1.056 57.035 58.000 0.152 0.000 0.929 249 F CB 1.229 40.239 39.000 0.017 0.000 1.237 249 F HN 0.526 nan 8.300 nan 0.000 0.468 250 F N 3.098 122.930 119.950 -0.195 0.000 2.443 250 F HA 0.385 4.912 4.527 0.001 0.000 0.369 250 F C -0.139 175.481 175.800 -0.299 0.000 1.090 250 F CA -0.888 56.772 58.000 -0.566 0.000 1.129 250 F CB 0.251 38.722 39.000 -0.883 0.000 1.367 250 F HN 0.378 nan 8.300 nan 0.000 0.465 251 N N 7.069 125.482 118.700 -0.478 0.000 2.412 251 N HA -0.002 4.738 4.740 0.001 0.000 0.258 251 N C -1.955 173.290 175.510 -0.442 0.000 1.236 251 N CA -0.503 52.325 53.050 -0.369 0.000 0.882 251 N CB 0.899 39.207 38.487 -0.298 0.000 1.066 251 N HN 0.362 nan 8.380 nan 0.000 0.465 252 P HA -0.013 nan 4.420 nan 0.000 0.231 252 P C 0.748 177.948 177.300 -0.166 0.000 1.168 252 P CA 1.120 64.111 63.100 -0.182 0.000 0.779 252 P CB 0.365 31.995 31.700 -0.117 0.000 0.844 253 K N -0.521 119.775 120.400 -0.173 0.000 2.537 253 K HA 0.160 4.481 4.320 0.001 0.000 0.206 253 K C 0.655 177.163 176.600 -0.153 0.000 1.041 253 K CA 0.474 56.679 56.287 -0.137 0.000 1.090 253 K CB -0.612 31.823 32.500 -0.107 0.000 0.833 253 K HN 0.053 nan 8.250 nan 0.000 0.493 254 T N -4.326 110.096 114.554 -0.219 0.000 3.073 254 T HA 0.179 4.529 4.350 0.001 0.000 0.264 254 T C -0.015 174.507 174.700 -0.297 0.000 0.893 254 T CA -0.363 61.607 62.100 -0.217 0.000 0.863 254 T CB -0.114 68.629 68.868 -0.207 0.000 1.247 254 T HN -0.009 nan 8.240 nan 0.000 0.546 255 K N 0.590 120.712 120.400 -0.463 0.000 3.156 255 K HA -0.130 4.191 4.320 0.001 0.000 0.266 255 K C -0.481 175.691 176.600 -0.713 0.000 0.966 255 K CA 0.753 56.647 56.287 -0.655 0.000 0.719 255 K CB -1.228 31.130 32.500 -0.237 0.000 1.333 255 K HN 0.487 nan 8.250 nan 0.000 0.468 256 K N -0.426 119.469 120.400 -0.841 0.000 2.435 256 K HA 0.529 4.850 4.320 0.001 0.000 0.251 256 K C -1.532 174.825 176.600 -0.405 0.000 0.954 256 K CA -0.844 55.182 56.287 -0.435 0.000 0.820 256 K CB 0.832 33.223 32.500 -0.182 0.000 1.292 256 K HN 0.181 nan 8.250 nan 0.000 0.436 257 W N 2.241 123.560 121.300 0.032 0.000 2.335 257 W HA 0.422 5.083 4.660 0.001 0.000 0.307 257 W C -0.150 176.434 176.519 0.108 0.000 1.117 257 W CA -0.247 57.199 57.345 0.168 0.000 1.228 257 W CB 1.671 31.268 29.460 0.228 0.000 1.240 257 W HN 0.307 nan 8.180 nan 0.000 0.468 258 T N 2.196 116.985 114.554 0.391 0.000 2.926 258 T HA 0.276 4.627 4.350 0.001 0.000 0.289 258 T C 0.475 175.408 174.700 0.389 0.000 1.054 258 T CA -0.809 61.453 62.100 0.270 0.000 1.015 258 T CB 1.716 70.650 68.868 0.111 0.000 1.167 258 T HN 0.324 nan 8.240 nan 0.000 0.526 259 N N -0.215 118.648 118.700 0.270 0.000 2.239 259 N HA 0.110 4.851 4.740 0.001 0.000 0.208 259 N C -0.115 175.531 175.510 0.227 0.000 1.200 259 N CA 0.081 53.323 53.050 0.320 0.000 0.895 259 N CB 0.757 39.355 38.487 0.186 0.000 1.085 259 N HN 0.388 nan 8.380 nan 0.000 0.500 260 K N 1.201 121.621 120.400 0.034 0.000 2.202 260 K HA 0.022 4.342 4.320 0.001 0.000 0.264 260 K C 0.208 176.530 176.600 -0.464 0.000 1.010 260 K CA -0.066 56.151 56.287 -0.116 0.000 0.940 260 K CB 1.097 33.533 32.500 -0.108 0.000 0.983 260 K HN -0.095 nan 8.250 nan 0.000 0.475 261 D N 0.335 120.436 120.400 -0.497 0.000 2.336 261 D HA -0.045 4.595 4.640 0.001 0.000 0.229 261 D C 0.066 176.008 176.300 -0.596 0.000 1.061 261 D CA 0.590 54.090 54.000 -0.833 0.000 0.875 261 D CB 0.485 41.059 40.800 -0.378 0.000 0.904 261 D HN 0.440 nan 8.370 nan 0.000 0.525 262 T N -1.926 112.383 114.554 -0.408 0.000 2.804 262 T HA 0.376 4.727 4.350 0.001 0.000 0.290 262 T C -1.482 173.092 174.700 -0.210 0.000 1.099 262 T CA -0.885 61.054 62.100 -0.269 0.000 1.011 262 T CB 1.551 70.312 68.868 -0.179 0.000 1.291 262 T HN -0.091 nan 8.240 nan 0.000 0.523 263 D N -0.025 120.280 120.400 -0.158 0.000 2.387 263 D HA 0.614 5.255 4.640 0.001 0.000 0.255 263 D C 0.388 176.631 176.300 -0.096 0.000 1.081 263 D CA -0.226 53.699 54.000 -0.125 0.000 0.994 263 D CB 1.230 41.958 40.800 -0.121 0.000 1.127 263 D HN 0.699 nan 8.370 nan 0.000 0.513 264 A N 1.520 124.292 122.820 -0.079 0.000 2.879 264 A HA 0.135 4.455 4.320 0.001 0.000 0.246 264 A C 0.612 178.161 177.584 -0.058 0.000 1.921 264 A CA 1.337 53.337 52.037 -0.062 0.000 1.626 264 A CB -1.209 17.760 19.000 -0.052 0.000 0.790 264 A HN 0.626 nan 8.150 nan 0.000 0.625 265 E N -2.490 117.672 120.200 -0.064 0.000 2.967 265 E HA 0.325 4.675 4.350 0.001 0.000 0.287 265 E C 0.827 177.389 176.600 -0.062 0.000 1.132 265 E CA 0.214 56.579 56.400 -0.058 0.000 2.067 265 E CB -0.249 29.416 29.700 -0.058 0.000 2.121 265 E HN 0.731 nan 8.360 nan 0.000 1.046 266 G N 1.466 110.222 108.800 -0.073 0.000 4.665 266 G HA2 0.033 3.994 3.960 0.001 0.000 0.219 266 G HA3 0.033 3.994 3.960 0.001 0.000 0.219 266 G C -0.603 174.246 174.900 -0.085 0.000 0.664 266 G CA -0.055 45.000 45.100 -0.075 0.000 0.907 266 G HN 0.272 nan 8.290 nan 0.000 0.689 267 K N 0.934 121.278 120.400 -0.094 0.000 2.218 267 K HA 0.617 4.938 4.320 0.001 0.000 0.276 267 K C -2.847 173.676 176.600 -0.129 0.000 1.022 267 K CA -1.677 54.550 56.287 -0.099 0.000 0.946 267 K CB 1.398 33.843 32.500 -0.092 0.000 1.000 267 K HN -0.137 nan 8.250 nan 0.000 0.468 268 P HA -0.019 nan 4.420 nan 0.000 0.267 268 P C -0.833 176.368 177.300 -0.166 0.000 1.200 268 P CA 0.067 63.082 63.100 -0.141 0.000 0.772 268 P CB 0.456 32.098 31.700 -0.096 0.000 0.855 269 L N 1.909 122.991 121.223 -0.235 0.000 2.362 269 L HA 0.374 4.715 4.340 0.001 0.000 0.275 269 L C 0.632 177.555 176.870 0.088 0.000 0.998 269 L CA -0.769 53.946 54.840 -0.207 0.000 0.820 269 L CB 1.829 43.541 42.059 -0.577 0.000 1.270 269 L HN 0.392 nan 8.230 nan 0.000 0.415 270 E N 3.844 124.113 120.200 0.115 0.000 2.289 270 E HA 0.140 4.491 4.350 0.001 0.000 0.278 270 E C -0.151 176.525 176.600 0.128 0.000 1.032 270 E CA -0.548 55.900 56.400 0.081 0.000 0.854 270 E CB 1.122 30.780 29.700 -0.069 0.000 1.046 270 E HN 0.409 nan 8.360 nan 0.000 0.409 271 R N 2.674 123.122 120.500 -0.087 0.000 2.734 271 R HA 0.046 4.386 4.340 0.001 0.000 0.266 271 R C 0.874 176.965 176.300 -0.349 0.000 1.044 271 R CA 0.663 56.508 56.100 -0.426 0.000 1.128 271 R CB 0.636 30.612 30.300 -0.540 0.000 1.010 271 R HN 0.749 nan 8.270 nan 0.000 0.461 272 A N 4.396 127.043 122.820 -0.289 0.000 1.902 272 A HA -0.203 4.118 4.320 0.001 0.000 0.217 272 A C 1.815 179.302 177.584 -0.162 0.000 1.181 272 A CA 1.198 53.148 52.037 -0.144 0.000 0.623 272 A CB -0.595 18.572 19.000 0.279 0.000 0.818 272 A HN 0.846 nan 8.150 nan 0.000 0.443 273 F N 1.769 121.582 119.950 -0.228 0.000 2.069 273 F HA -0.237 4.291 4.527 0.001 0.000 0.298 273 F C 1.851 177.542 175.800 -0.182 0.000 1.113 273 F CA 2.301 60.224 58.000 -0.128 0.000 1.214 273 F CB -0.546 38.384 39.000 -0.118 0.000 0.978 273 F HN 0.287 nan 8.300 nan 0.000 0.474 274 N N -0.473 118.106 118.700 -0.203 0.000 2.309 274 N HA -0.146 4.594 4.740 0.001 0.000 0.182 274 N C 1.867 177.180 175.510 -0.329 0.000 1.018 274 N CA 1.323 54.229 53.050 -0.240 0.000 0.876 274 N CB -0.289 38.089 38.487 -0.181 0.000 0.972 274 N HN 0.372 nan 8.380 nan 0.000 0.434 275 M N -1.013 118.297 119.600 -0.483 0.000 2.115 275 M HA 0.031 4.512 4.480 0.001 0.000 0.261 275 M C 0.502 176.370 176.300 -0.721 0.000 1.079 275 M CA 1.431 56.290 55.300 -0.734 0.000 1.143 275 M CB 0.079 31.920 32.600 -1.265 0.000 1.332 275 M HN 0.058 nan 8.290 nan 0.000 0.421 276 F N -1.443 118.326 119.950 -0.303 0.000 2.721 276 F HA 0.175 4.702 4.527 0.001 0.000 0.301 276 F C 1.349 176.878 175.800 -0.452 0.000 1.096 276 F CA 0.013 57.790 58.000 -0.371 0.000 1.308 276 F CB -0.305 38.180 39.000 -0.857 0.000 1.086 276 F HN 0.025 nan 8.300 nan 0.000 0.587 277 I N -0.741 119.500 120.570 -0.548 0.000 4.049 277 I HA 0.042 4.212 4.170 0.001 0.000 0.237 277 I C 2.120 177.836 176.117 -0.668 0.000 1.076 277 I CA 0.482 61.162 61.300 -1.033 0.000 1.610 277 I CB -0.958 36.378 38.000 -1.107 0.000 1.544 277 I HN -0.165 nan 8.210 nan 0.000 0.458 278 L N 0.724 121.588 121.223 -0.598 0.000 2.129 278 L HA -0.265 4.076 4.340 0.001 0.000 0.212 278 L C 2.021 178.903 176.870 0.020 0.000 1.087 278 L CA 1.869 56.567 54.840 -0.237 0.000 0.757 278 L CB -0.636 41.373 42.059 -0.085 0.000 0.896 278 L HN 0.412 nan 8.230 nan 0.000 0.434 279 D N -0.314 120.049 120.400 -0.063 0.000 2.078 279 D HA -0.127 4.513 4.640 0.001 0.000 0.193 279 D C -0.519 175.801 176.300 0.035 0.000 0.990 279 D CA 1.160 55.166 54.000 0.010 0.000 0.827 279 D CB -0.680 40.072 40.800 -0.080 0.000 0.975 279 D HN 0.052 nan 8.370 nan 0.000 0.451 280 P HA -0.154 nan 4.420 nan 0.000 0.215 280 P C 1.452 178.756 177.300 0.006 0.000 1.163 280 P CA 1.290 64.400 63.100 0.017 0.000 0.894 280 P CB -0.027 31.721 31.700 0.081 0.000 0.791 281 I N -2.693 117.888 120.570 0.017 0.000 2.226 281 I HA -0.236 3.935 4.170 0.001 0.000 0.245 281 I C 2.201 178.275 176.117 -0.072 0.000 1.100 281 I CA 1.426 62.700 61.300 -0.044 0.000 1.374 281 I CB -0.617 37.267 38.000 -0.193 0.000 1.057 281 I HN -0.139 nan 8.210 nan 0.000 0.413 282 F N 0.857 120.741 119.950 -0.109 0.000 2.171 282 F HA -0.200 4.327 4.527 0.001 0.000 0.300 282 F C 2.671 178.493 175.800 0.037 0.000 1.090 282 F CA 1.074 59.026 58.000 -0.080 0.000 1.293 282 F CB -0.148 38.794 39.000 -0.097 0.000 1.013 282 F HN -0.070 nan 8.300 nan 0.000 0.486 283 R N 0.344 120.966 120.500 0.204 0.000 2.073 283 R HA -0.164 4.176 4.340 0.001 0.000 0.234 283 R C 2.170 178.533 176.300 0.105 0.000 1.134 283 R CA 1.342 57.511 56.100 0.115 0.000 0.952 283 R CB -1.188 29.139 30.300 0.044 0.000 0.850 283 R HN 0.371 nan 8.270 nan 0.000 0.433 284 L N -0.406 120.874 121.223 0.094 0.000 2.127 284 L HA -0.161 4.180 4.340 0.001 0.000 0.211 284 L C 2.353 179.279 176.870 0.094 0.000 1.089 284 L CA 1.381 56.248 54.840 0.046 0.000 0.757 284 L CB -0.460 41.597 42.059 -0.003 0.000 0.899 284 L HN 0.063 nan 8.230 nan 0.000 0.434 285 F N -0.165 119.767 119.950 -0.030 0.000 2.098 285 F HA -0.165 4.363 4.527 0.001 0.000 0.294 285 F C 2.654 178.463 175.800 0.015 0.000 1.107 285 F CA 1.502 59.502 58.000 0.001 0.000 1.234 285 F CB -0.434 38.591 39.000 0.041 0.000 1.002 285 F HN -0.059 nan 8.300 nan 0.000 0.472 286 T N -0.292 114.415 114.554 0.256 0.000 2.915 286 T HA -0.082 4.269 4.350 0.001 0.000 0.269 286 T C 1.978 176.705 174.700 0.045 0.000 1.071 286 T CA 0.970 63.154 62.100 0.139 0.000 1.132 286 T CB -0.400 68.545 68.868 0.128 0.000 0.878 286 T HN 0.277 nan 8.240 nan 0.000 0.479 287 A N 1.349 124.184 122.820 0.026 0.000 1.844 287 A HA 0.183 4.503 4.320 0.001 0.000 0.212 287 A C 2.252 179.783 177.584 -0.088 0.000 1.221 287 A CA 0.596 52.621 52.037 -0.020 0.000 0.607 287 A CB -0.766 18.224 19.000 -0.017 0.000 0.878 287 A HN 0.399 nan 8.150 nan 0.000 0.451 288 I N -0.202 120.288 120.570 -0.133 0.000 2.118 288 I HA -0.297 3.873 4.170 0.001 0.000 0.241 288 I C 2.395 178.249 176.117 -0.438 0.000 1.070 288 I CA 1.417 62.569 61.300 -0.247 0.000 1.327 288 I CB -0.258 37.592 38.000 -0.250 0.000 1.034 288 I HN 0.278 nan 8.210 nan 0.000 0.405 289 M N -0.088 119.294 119.600 -0.363 0.000 2.446 289 M HA -0.139 4.342 4.480 0.001 0.000 0.263 289 M C 1.214 177.287 176.300 -0.379 0.000 1.066 289 M CA 1.326 56.376 55.300 -0.417 0.000 1.087 289 M CB -1.309 31.169 32.600 -0.203 0.000 1.406 289 M HN 0.256 nan 8.290 nan 0.000 0.459 290 N N -0.625 117.939 118.700 -0.226 0.000 2.280 290 N HA 0.083 4.824 4.740 0.001 0.000 0.192 290 N C -0.162 175.396 175.510 0.081 0.000 1.109 290 N CA 0.058 53.087 53.050 -0.034 0.000 0.855 290 N CB 0.114 38.610 38.487 0.015 0.000 0.974 290 N HN 0.187 nan 8.380 nan 0.000 0.482 291 F N -0.037 119.909 119.950 -0.006 0.000 3.034 291 F HA -0.266 4.262 4.527 0.001 0.000 0.286 291 F C 0.120 175.916 175.800 -0.007 0.000 0.804 291 F CA 0.350 58.343 58.000 -0.010 0.000 1.161 291 F CB -2.075 36.919 39.000 -0.008 0.000 1.317 291 F HN -0.072 nan 8.300 nan 0.000 0.453 292 K N 1.700 122.153 120.400 0.089 0.000 2.034 292 K HA 0.000 4.321 4.320 0.001 0.000 0.225 292 K C 1.406 178.036 176.600 0.050 0.000 1.190 292 K CA 0.338 56.663 56.287 0.063 0.000 1.152 292 K CB -0.031 32.487 32.500 0.031 0.000 1.300 292 K HN 0.508 nan 8.250 nan 0.000 0.268 293 K N 0.783 121.228 120.400 0.075 0.000 2.362 293 K HA -0.219 4.102 4.320 0.001 0.000 0.202 293 K C 0.913 177.531 176.600 0.030 0.000 1.045 293 K CA 1.816 58.138 56.287 0.058 0.000 0.936 293 K CB 0.042 32.580 32.500 0.065 0.000 0.747 293 K HN 0.405 nan 8.250 nan 0.000 0.467 294 D N 1.428 121.844 120.400 0.025 0.000 2.162 294 D HA -0.154 4.487 4.640 0.001 0.000 0.203 294 D C 1.403 177.707 176.300 0.008 0.000 0.967 294 D CA 1.059 55.069 54.000 0.015 0.000 0.840 294 D CB -0.148 40.661 40.800 0.015 0.000 0.972 294 D HN 0.514 nan 8.370 nan 0.000 0.482 295 E N 0.543 120.747 120.200 0.006 0.000 2.042 295 E HA 0.035 4.385 4.350 0.001 0.000 0.189 295 E C 2.528 179.120 176.600 -0.014 0.000 0.974 295 E CA 0.243 56.641 56.400 -0.003 0.000 0.806 295 E CB -0.020 29.677 29.700 -0.004 0.000 0.769 295 E HN 0.227 nan 8.360 nan 0.000 0.451 296 I N 2.260 122.820 120.570 -0.018 0.000 2.121 296 I HA -0.309 3.862 4.170 0.001 0.000 0.243 296 I C -0.432 175.666 176.117 -0.031 0.000 1.047 296 I CA 1.639 62.919 61.300 -0.033 0.000 1.308 296 I CB -1.688 36.295 38.000 -0.029 0.000 1.015 296 I HN 0.188 nan 8.210 nan 0.000 0.410 297 P HA -0.095 nan 4.420 nan 0.000 0.216 297 P C 1.937 179.226 177.300 -0.019 0.000 1.153 297 P CA 1.519 64.610 63.100 -0.016 0.000 0.848 297 P CB -0.050 31.646 31.700 -0.005 0.000 0.787 298 V N 0.495 120.400 119.914 -0.015 0.000 2.270 298 V HA -0.195 3.925 4.120 0.001 0.000 0.245 298 V C 2.735 178.816 176.094 -0.023 0.000 1.043 298 V CA 1.457 63.749 62.300 -0.013 0.000 1.014 298 V CB -1.443 30.376 31.823 -0.007 0.000 0.645 298 V HN 0.021 nan 8.190 nan 0.000 0.447 299 L N -0.532 120.672 121.223 -0.032 0.000 2.046 299 L HA -0.126 4.215 4.340 0.001 0.000 0.208 299 L C 2.174 178.997 176.870 -0.079 0.000 1.077 299 L CA 1.805 56.616 54.840 -0.049 0.000 0.747 299 L CB -0.916 41.112 42.059 -0.053 0.000 0.896 299 L HN 0.187 nan 8.230 nan 0.000 0.432 300 L N -0.163 121.012 121.223 -0.079 0.000 1.994 300 L HA -0.221 4.119 4.340 0.001 0.000 0.208 300 L C 2.643 179.470 176.870 -0.072 0.000 1.071 300 L CA 2.102 56.885 54.840 -0.095 0.000 0.745 300 L CB -0.824 41.192 42.059 -0.071 0.000 0.892 300 L HN 0.486 nan 8.230 nan 0.000 0.431 301 E N -0.368 119.806 120.200 -0.043 0.000 2.219 301 E HA -0.307 4.043 4.350 0.001 0.000 0.198 301 E C 2.173 178.757 176.600 -0.025 0.000 0.998 301 E CA 1.644 58.028 56.400 -0.027 0.000 0.818 301 E CB -0.141 29.550 29.700 -0.015 0.000 0.741 301 E HN 0.353 nan 8.360 nan 0.000 0.477 302 K N -0.265 120.117 120.400 -0.030 0.000 2.288 302 K HA 0.002 4.323 4.320 0.001 0.000 0.201 302 K C 1.344 177.927 176.600 -0.028 0.000 1.048 302 K CA 0.825 57.102 56.287 -0.017 0.000 0.956 302 K CB 0.115 32.611 32.500 -0.007 0.000 0.746 302 K HN 0.242 nan 8.250 nan 0.000 0.461 303 L N 0.349 121.533 121.223 -0.066 0.000 2.667 303 L HA 0.141 4.482 4.340 0.001 0.000 0.232 303 L C 0.032 176.890 176.870 -0.021 0.000 1.138 303 L CA -0.033 54.764 54.840 -0.072 0.000 0.921 303 L CB 0.026 41.928 42.059 -0.262 0.000 1.180 303 L HN 0.264 nan 8.230 nan 0.000 0.487 304 E N 1.623 121.810 120.200 -0.022 0.000 2.389 304 E HA -0.232 4.119 4.350 0.001 0.000 0.243 304 E C -0.308 176.296 176.600 0.008 0.000 1.154 304 E CA 0.025 56.422 56.400 -0.004 0.000 0.723 304 E CB -0.812 28.890 29.700 0.004 0.000 1.261 304 E HN 0.483 nan 8.360 nan 0.000 0.390 305 I N 2.018 122.579 120.570 -0.016 0.000 2.306 305 I HA 0.179 4.349 4.170 0.001 0.000 0.288 305 I C 0.503 176.615 176.117 -0.007 0.000 1.036 305 I CA -0.940 60.356 61.300 -0.006 0.000 1.221 305 I CB 1.106 39.075 38.000 -0.052 0.000 1.385 305 I HN 0.025 nan 8.210 nan 0.000 0.472 306 V N 6.000 125.918 119.914 0.008 0.000 2.334 306 V HA 0.449 4.569 4.120 0.001 0.000 0.267 306 V C 0.102 176.201 176.094 0.009 0.000 1.040 306 V CA -0.652 61.651 62.300 0.006 0.000 0.866 306 V CB 0.641 32.469 31.823 0.009 0.000 1.019 306 V HN 0.508 nan 8.190 nan 0.000 0.468 307 L N 4.682 125.907 121.223 0.003 0.000 2.452 307 L HA 0.427 4.767 4.340 0.001 0.000 0.267 307 L C 0.682 177.558 176.870 0.009 0.000 1.188 307 L CA -0.251 54.592 54.840 0.006 0.000 0.821 307 L CB 0.608 42.667 42.059 0.001 0.000 1.102 307 L HN 0.538 nan 8.230 nan 0.000 0.470 308 K N 2.421 122.828 120.400 0.011 0.000 2.300 308 K HA 0.262 4.582 4.320 0.001 0.000 0.264 308 K C 0.771 177.377 176.600 0.010 0.000 1.083 308 K CA 0.353 56.647 56.287 0.011 0.000 0.958 308 K CB 0.745 33.254 32.500 0.014 0.000 1.318 308 K HN 0.853 nan 8.250 nan 0.000 0.448 309 G N 4.347 113.152 108.800 0.008 0.000 3.523 309 G HA2 -0.501 3.460 3.960 0.001 0.000 0.361 309 G HA3 -0.501 3.460 3.960 0.001 0.000 0.361 309 G C 0.978 175.882 174.900 0.008 0.000 1.349 309 G CA 1.145 46.249 45.100 0.007 0.000 1.173 309 G HN 0.679 nan 8.290 nan 0.000 0.709 310 D N 1.185 121.590 120.400 0.008 0.000 2.218 310 D HA -0.065 4.575 4.640 0.001 0.000 0.204 310 D C 1.954 178.260 176.300 0.010 0.000 0.976 310 D CA 1.755 55.760 54.000 0.009 0.000 0.853 310 D CB -0.660 40.146 40.800 0.009 0.000 0.939 310 D HN 0.728 nan 8.370 nan 0.000 0.481 311 E N 0.461 120.668 120.200 0.010 0.000 2.274 311 E HA -0.083 4.267 4.350 0.001 0.000 0.194 311 E C 2.037 178.642 176.600 0.009 0.000 0.996 311 E CA 0.236 56.642 56.400 0.010 0.000 0.840 311 E CB -0.009 29.697 29.700 0.011 0.000 0.772 311 E HN 0.270 nan 8.360 nan 0.000 0.491 312 K N 1.173 121.578 120.400 0.008 0.000 2.211 312 K HA -0.205 4.115 4.320 0.001 0.000 0.204 312 K C 1.385 177.993 176.600 0.012 0.000 1.047 312 K CA 1.778 58.070 56.287 0.008 0.000 0.935 312 K CB 0.022 32.526 32.500 0.007 0.000 0.728 312 K HN 0.201 nan 8.250 nan 0.000 0.452 313 D N -0.600 119.809 120.400 0.015 0.000 2.354 313 D HA -0.070 4.570 4.640 0.001 0.000 0.209 313 D C 0.592 176.913 176.300 0.034 0.000 1.015 313 D CA -0.335 53.678 54.000 0.021 0.000 0.867 313 D CB -0.012 40.797 40.800 0.015 0.000 0.933 313 D HN -0.101 nan 8.370 nan 0.000 0.520 314 L N 1.714 122.955 121.223 0.029 0.000 2.613 314 L HA 0.026 4.367 4.340 0.001 0.000 0.304 314 L C 0.045 176.960 176.870 0.076 0.000 1.266 314 L CA 0.899 55.761 54.840 0.038 0.000 0.868 314 L CB 0.001 42.070 42.059 0.016 0.000 1.111 314 L HN 0.483 nan 8.230 nan 0.000 0.515 315 E N 3.283 123.553 120.200 0.117 0.000 2.343 315 E HA 0.593 4.943 4.350 0.001 0.000 0.286 315 E C -0.058 176.741 176.600 0.331 0.000 0.915 315 E CA -0.345 56.226 56.400 0.284 0.000 0.784 315 E CB 0.913 30.858 29.700 0.410 0.000 1.251 315 E HN 0.994 nan 8.360 nan 0.000 0.407 316 G N 3.527 112.386 108.800 0.098 0.000 2.520 316 G HA2 -0.327 3.633 3.960 0.001 0.000 0.248 316 G HA3 -0.327 3.633 3.960 0.001 0.000 0.248 316 G C 0.592 175.413 174.900 -0.131 0.000 1.161 316 G CA 0.066 45.105 45.100 -0.103 0.000 0.946 316 G HN 0.535 nan 8.290 nan 0.000 0.565 317 K N 1.257 121.626 120.400 -0.052 0.000 2.280 317 K HA 0.278 4.598 4.320 0.001 0.000 0.202 317 K C 2.849 179.391 176.600 -0.098 0.000 1.047 317 K CA 2.438 58.669 56.287 -0.094 0.000 0.942 317 K CB -0.998 31.485 32.500 -0.028 0.000 0.739 317 K HN 0.965 nan 8.250 nan 0.000 0.457 318 A N 0.016 122.816 122.820 -0.034 0.000 1.970 318 A HA -0.042 4.279 4.320 0.001 0.000 0.216 318 A C 1.984 179.539 177.584 -0.047 0.000 1.170 318 A CA 0.760 52.783 52.037 -0.023 0.000 0.645 318 A CB -0.365 18.648 19.000 0.022 0.000 0.816 318 A HN 0.251 nan 8.150 nan 0.000 0.447 319 L N 0.111 121.298 121.223 -0.060 0.000 2.017 319 L HA -0.098 4.243 4.340 0.001 0.000 0.208 319 L C 2.177 178.966 176.870 -0.134 0.000 1.073 319 L CA 2.416 57.205 54.840 -0.085 0.000 0.745 319 L CB -0.624 41.365 42.059 -0.117 0.000 0.894 319 L HN 0.499 nan 8.230 nan 0.000 0.432 320 L N -3.074 118.022 121.223 -0.211 0.000 2.375 320 L HA 0.127 4.467 4.340 0.001 0.000 0.215 320 L C 2.077 178.840 176.870 -0.178 0.000 1.108 320 L CA 0.972 55.667 54.840 -0.241 0.000 0.830 320 L CB -0.813 40.994 42.059 -0.421 0.000 0.959 320 L HN 0.009 nan 8.230 nan 0.000 0.457 321 K N 0.283 120.570 120.400 -0.190 0.000 2.147 321 K HA -0.036 4.284 4.320 0.001 0.000 0.205 321 K C 1.845 178.453 176.600 0.014 0.000 1.049 321 K CA 1.517 57.738 56.287 -0.110 0.000 0.936 321 K CB -0.175 32.251 32.500 -0.124 0.000 0.722 321 K HN 0.321 nan 8.250 nan 0.000 0.446 322 V N 0.418 120.330 119.914 -0.003 0.000 2.878 322 V HA -0.123 3.998 4.120 0.001 0.000 0.250 322 V C 2.080 178.199 176.094 0.043 0.000 1.075 322 V CA 0.863 63.181 62.300 0.029 0.000 1.096 322 V CB 0.200 32.031 31.823 0.014 0.000 0.724 322 V HN 0.026 nan 8.190 nan 0.000 0.467 323 V N -0.262 119.659 119.914 0.013 0.000 2.244 323 V HA -0.256 3.865 4.120 0.001 0.000 0.244 323 V C 2.507 178.656 176.094 0.092 0.000 1.042 323 V CA 1.964 64.272 62.300 0.013 0.000 1.006 323 V CB -0.650 31.137 31.823 -0.060 0.000 0.641 323 V HN 0.388 nan 8.190 nan 0.000 0.446 324 M N -0.297 119.363 119.600 0.100 0.000 2.267 324 M HA -0.205 4.276 4.480 0.001 0.000 0.263 324 M C 2.350 178.827 176.300 0.294 0.000 1.063 324 M CA 1.707 57.118 55.300 0.185 0.000 1.090 324 M CB -0.973 31.679 32.600 0.087 0.000 1.392 324 M HN 0.324 nan 8.290 nan 0.000 0.422 325 R N 0.834 121.480 120.500 0.243 0.000 2.073 325 R HA -0.148 4.192 4.340 0.001 0.000 0.229 325 R C 2.176 178.581 176.300 0.174 0.000 1.120 325 R CA 1.550 57.781 56.100 0.218 0.000 0.967 325 R CB -0.008 30.390 30.300 0.163 0.000 0.862 325 R HN 0.176 nan 8.270 nan 0.000 0.436 326 K N -0.425 120.068 120.400 0.155 0.000 2.097 326 K HA -0.134 4.187 4.320 0.001 0.000 0.205 326 K C 1.814 178.529 176.600 0.192 0.000 1.050 326 K CA 1.214 57.582 56.287 0.134 0.000 0.938 326 K CB -0.291 32.270 32.500 0.101 0.000 0.718 326 K HN 0.043 nan 8.250 nan 0.000 0.442 327 F N 1.050 121.019 119.950 0.033 0.000 2.000 327 F HA -0.002 4.525 4.527 0.001 0.000 0.295 327 F C 0.412 176.230 175.800 0.031 0.000 1.159 327 F CA 1.356 59.367 58.000 0.017 0.000 1.171 327 F CB -0.115 38.883 39.000 -0.004 0.000 0.971 327 F HN -0.137 nan 8.300 nan 0.000 0.479 328 L N 1.592 122.789 121.223 -0.044 0.000 2.445 328 L HA 0.318 4.659 4.340 0.001 0.000 0.252 328 L C -2.452 174.495 176.870 0.127 0.000 1.105 328 L CA -1.877 52.900 54.840 -0.105 0.000 0.943 328 L CB 0.788 42.775 42.059 -0.120 0.000 1.277 328 L HN -0.084 nan 8.230 nan 0.000 0.465 329 P HA -0.050 nan 4.420 nan 0.000 0.252 329 P C 1.003 178.349 177.300 0.076 0.000 1.183 329 P CA 0.257 63.412 63.100 0.091 0.000 0.973 329 P CB 0.930 32.660 31.700 0.051 0.000 0.990 330 A N 5.199 128.083 122.820 0.106 0.000 1.940 330 A HA -0.312 4.008 4.320 0.001 0.000 0.221 330 A C 2.210 179.791 177.584 -0.005 0.000 1.190 330 A CA 2.440 54.499 52.037 0.037 0.000 0.647 330 A CB -1.430 17.569 19.000 -0.001 0.000 0.821 330 A HN 0.457 nan 8.150 nan 0.000 0.457 331 A N -0.418 122.407 122.820 0.009 0.000 1.940 331 A HA -0.222 4.098 4.320 0.001 0.000 0.219 331 A C 1.725 179.302 177.584 -0.011 0.000 1.176 331 A CA 2.157 54.192 52.037 -0.002 0.000 0.631 331 A CB -0.707 18.302 19.000 0.014 0.000 0.814 331 A HN 0.571 nan 8.150 nan 0.000 0.446 332 D N -0.559 119.838 120.400 -0.005 0.000 2.194 332 D HA 0.162 4.802 4.640 0.001 0.000 0.204 332 D C 2.182 178.464 176.300 -0.029 0.000 0.964 332 D CA 1.047 55.037 54.000 -0.015 0.000 0.846 332 D CB -0.120 40.675 40.800 -0.010 0.000 0.962 332 D HN 0.441 nan 8.370 nan 0.000 0.490 333 A N 0.407 123.209 122.820 -0.030 0.000 1.902 333 A HA -0.127 4.193 4.320 0.001 0.000 0.217 333 A C 2.087 179.633 177.584 -0.064 0.000 1.181 333 A CA 0.954 52.967 52.037 -0.040 0.000 0.623 333 A CB -0.682 18.291 19.000 -0.044 0.000 0.818 333 A HN 0.178 nan 8.150 nan 0.000 0.443 334 L N -0.687 120.492 121.223 -0.074 0.000 1.988 334 L HA -0.142 4.199 4.340 0.001 0.000 0.207 334 L C 2.487 179.315 176.870 -0.069 0.000 1.071 334 L CA 1.127 55.916 54.840 -0.084 0.000 0.744 334 L CB -0.800 41.210 42.059 -0.082 0.000 0.893 334 L HN 0.326 nan 8.230 nan 0.000 0.433 335 L N -0.111 121.078 121.223 -0.057 0.000 2.263 335 L HA -0.231 4.109 4.340 0.001 0.000 0.216 335 L C 2.611 179.430 176.870 -0.085 0.000 1.111 335 L CA 1.105 55.907 54.840 -0.063 0.000 0.773 335 L CB -0.541 41.491 42.059 -0.045 0.000 0.906 335 L HN 0.429 nan 8.230 nan 0.000 0.439 336 E N 0.504 120.662 120.200 -0.069 0.000 2.046 336 E HA -0.206 4.144 4.350 0.001 0.000 0.190 336 E C 2.367 178.923 176.600 -0.074 0.000 0.982 336 E CA 1.025 57.382 56.400 -0.072 0.000 0.800 336 E CB 0.027 29.705 29.700 -0.037 0.000 0.756 336 E HN 0.451 nan 8.360 nan 0.000 0.449 337 M N 0.455 120.036 119.600 -0.032 0.000 2.117 337 M HA -0.149 4.332 4.480 0.001 0.000 0.262 337 M C 2.431 178.717 176.300 -0.023 0.000 1.065 337 M CA 1.222 56.544 55.300 0.036 0.000 1.114 337 M CB -0.369 32.219 32.600 -0.020 0.000 1.361 337 M HN 0.198 nan 8.290 nan 0.000 0.408 338 I N -0.188 120.336 120.570 -0.077 0.000 2.151 338 I HA -0.287 3.884 4.170 0.001 0.000 0.243 338 I C 2.328 178.340 176.117 -0.175 0.000 1.080 338 I CA 1.330 62.570 61.300 -0.100 0.000 1.339 338 I CB -0.554 37.392 38.000 -0.091 0.000 1.039 338 I HN 0.100 nan 8.210 nan 0.000 0.409 339 V N 0.877 120.630 119.914 -0.268 0.000 2.323 339 V HA -0.212 3.909 4.120 0.001 0.000 0.244 339 V C 2.240 178.042 176.094 -0.487 0.000 1.041 339 V CA 1.519 63.519 62.300 -0.500 0.000 1.025 339 V CB -0.530 30.904 31.823 -0.648 0.000 0.656 339 V HN 0.363 nan 8.190 nan 0.000 0.451 340 L N -0.821 120.152 121.223 -0.416 0.000 2.376 340 L HA -0.025 4.315 4.340 0.001 0.000 0.219 340 L C 2.209 178.620 176.870 -0.765 0.000 1.133 340 L CA 1.027 55.534 54.840 -0.554 0.000 0.816 340 L CB -0.459 41.246 42.059 -0.590 0.000 0.933 340 L HN 0.486 nan 8.230 nan 0.000 0.449 341 H N -1.850 117.144 119.070 -0.127 0.000 3.067 341 H HA 0.312 4.869 4.556 0.001 0.000 0.241 341 H C 0.716 175.995 175.328 -0.080 0.000 0.961 341 H CA -0.316 55.675 56.048 -0.094 0.000 1.123 341 H CB 0.749 30.454 29.762 -0.095 0.000 1.448 341 H HN 0.097 nan 8.280 nan 0.000 0.457 342 L N 5.120 126.343 121.223 -0.000 0.000 2.416 342 L HA 0.158 4.499 4.340 0.001 0.000 0.272 342 L C -1.936 174.926 176.870 -0.014 0.000 1.161 342 L CA -1.614 53.221 54.840 -0.009 0.000 0.845 342 L CB 0.539 42.579 42.059 -0.031 0.000 1.119 342 L HN -0.080 nan 8.230 nan 0.000 0.464 343 P HA 0.054 nan 4.420 nan 0.000 0.271 343 P C -0.588 176.721 177.300 0.014 0.000 1.218 343 P CA -0.396 62.733 63.100 0.047 0.000 0.780 343 P CB 1.161 32.936 31.700 0.124 0.000 0.901 344 S N 2.348 118.056 115.700 0.014 0.000 2.632 344 S HA 0.329 4.800 4.470 0.001 0.000 0.267 344 S C -1.868 172.721 174.600 -0.018 0.000 1.276 344 S CA -1.302 56.902 58.200 0.008 0.000 0.998 344 S CB 0.128 63.347 63.200 0.032 0.000 0.953 344 S HN 0.237 nan 8.310 nan 0.000 0.547 345 P HA 0.039 nan 4.420 nan 0.000 0.236 345 P C 0.833 178.104 177.300 -0.049 0.000 1.172 345 P CA 0.313 63.380 63.100 -0.055 0.000 0.759 345 P CB -0.045 31.609 31.700 -0.078 0.000 0.843 346 V N -1.534 118.361 119.914 -0.032 0.000 2.672 346 V HA -0.099 4.022 4.120 0.001 0.000 0.242 346 V C 2.151 178.226 176.094 -0.032 0.000 1.059 346 V CA 1.996 64.281 62.300 -0.025 0.000 1.081 346 V CB -1.451 30.370 31.823 -0.004 0.000 0.752 346 V HN 0.121 nan 8.190 nan 0.000 0.472 347 T N 0.922 115.467 114.554 -0.014 0.000 2.812 347 T HA -0.037 4.314 4.350 0.001 0.000 0.264 347 T C 2.062 176.699 174.700 -0.106 0.000 1.042 347 T CA 1.501 63.617 62.100 0.027 0.000 1.140 347 T CB -0.357 68.569 68.868 0.096 0.000 0.870 347 T HN 0.478 nan 8.240 nan 0.000 0.445 348 A N 1.623 124.285 122.820 -0.263 0.000 1.897 348 A HA -0.071 4.249 4.320 0.001 0.000 0.215 348 A C 2.307 179.374 177.584 -0.861 0.000 1.181 348 A CA 1.017 52.553 52.037 -0.834 0.000 0.620 348 A CB -0.612 18.183 19.000 -0.341 0.000 0.821 348 A HN 0.502 nan 8.150 nan 0.000 0.443 349 Q N -0.512 119.081 119.800 -0.344 0.000 2.291 349 Q HA -0.085 4.256 4.340 0.001 0.000 0.206 349 Q C 2.269 178.152 176.000 -0.195 0.000 0.976 349 Q CA 0.998 56.693 55.803 -0.180 0.000 0.875 349 Q CB -0.354 28.383 28.738 -0.003 0.000 0.927 349 Q HN 0.701 nan 8.270 nan 0.000 0.450 350 A N 0.933 123.629 122.820 -0.207 0.000 1.930 350 A HA -0.176 4.145 4.320 0.001 0.000 0.217 350 A C 1.567 179.137 177.584 -0.022 0.000 1.175 350 A CA 1.320 53.311 52.037 -0.077 0.000 0.627 350 A CB -0.494 18.506 19.000 0.001 0.000 0.815 350 A HN 0.613 nan 8.150 nan 0.000 0.443 351 Y N -3.621 116.680 120.300 0.001 0.000 2.507 351 Y HA 0.608 5.159 4.550 0.001 0.000 0.254 351 Y C 1.562 177.456 175.900 -0.011 0.000 1.171 351 Y CA -0.252 57.845 58.100 -0.005 0.000 1.238 351 Y CB -0.074 38.385 38.460 -0.003 0.000 1.148 351 Y HN 0.097 nan 8.280 nan 0.000 0.525 352 R N -0.107 120.291 120.500 -0.170 0.000 2.394 352 R HA 0.395 4.736 4.340 0.001 0.000 0.220 352 R C 2.145 178.374 176.300 -0.118 0.000 0.887 352 R CA 0.743 56.781 56.100 -0.103 0.000 1.034 352 R CB 0.194 30.379 30.300 -0.193 0.000 1.179 352 R HN 0.359 nan 8.270 nan 0.000 0.561 353 A N 1.721 124.466 122.820 -0.125 0.000 1.849 353 A HA -0.246 4.075 4.320 0.001 0.000 0.217 353 A C 1.704 179.243 177.584 -0.075 0.000 1.202 353 A CA 1.767 53.723 52.037 -0.135 0.000 0.629 353 A CB -0.552 18.384 19.000 -0.107 0.000 0.834 353 A HN 0.376 nan 8.150 nan 0.000 0.447 354 E N -0.889 119.297 120.200 -0.024 0.000 2.130 354 E HA -0.305 4.045 4.350 0.001 0.000 0.196 354 E C 2.243 178.845 176.600 0.004 0.000 0.998 354 E CA 1.485 57.894 56.400 0.016 0.000 0.806 354 E CB -0.232 29.479 29.700 0.017 0.000 0.738 354 E HN 0.795 nan 8.360 nan 0.000 0.459 355 Q N 0.354 120.143 119.800 -0.018 0.000 2.167 355 Q HA -0.094 4.246 4.340 0.001 0.000 0.202 355 Q C 2.004 177.966 176.000 -0.063 0.000 0.970 355 Q CA 0.772 56.558 55.803 -0.029 0.000 0.855 355 Q CB 0.171 28.900 28.738 -0.015 0.000 0.911 355 Q HN 0.308 nan 8.270 nan 0.000 0.438 356 L N -0.461 120.693 121.223 -0.114 0.000 2.567 356 L HA 0.092 4.432 4.340 0.001 0.000 0.225 356 L C 0.021 176.840 176.870 -0.086 0.000 1.119 356 L CA -0.172 54.553 54.840 -0.193 0.000 0.871 356 L CB 0.241 42.036 42.059 -0.439 0.000 1.036 356 L HN 0.161 nan 8.230 nan 0.000 0.459 357 Y N 0.882 121.083 120.300 -0.166 0.000 2.335 357 Y HA 0.214 4.764 4.550 0.000 0.000 0.338 357 Y C 0.763 176.616 175.900 -0.078 0.000 0.977 357 Y CA -1.096 56.938 58.100 -0.110 0.000 1.114 357 Y CB 0.944 39.341 38.460 -0.106 0.000 1.182 357 Y HN 0.020 nan 8.280 nan 0.000 0.463 358 E N 3.798 123.720 120.200 -0.464 0.000 2.335 358 E HA 0.211 4.562 4.350 0.001 0.000 0.191 358 E C 0.391 176.622 176.600 -0.615 0.000 1.077 358 E CA -0.083 56.088 56.400 -0.382 0.000 1.010 358 E CB 0.340 29.925 29.700 -0.191 0.000 1.141 358 E HN 0.852 nan 8.360 nan 0.000 0.452 359 G N 1.501 109.646 108.800 -1.093 0.000 3.107 359 G HA2 0.381 4.342 3.960 0.001 0.000 0.232 359 G HA3 0.381 4.342 3.960 0.001 0.000 0.232 359 G C -2.685 171.985 174.900 -0.384 0.000 1.339 359 G CA -1.282 43.160 45.100 -1.096 0.000 1.033 359 G HN -0.119 nan 8.290 nan 0.000 0.567 360 P HA 0.277 nan 4.420 nan 0.000 0.267 360 P C 0.501 177.854 177.300 0.088 0.000 1.209 360 P CA 0.178 63.266 63.100 -0.019 0.000 0.763 360 P CB 1.320 33.018 31.700 -0.003 0.000 0.816 361 A N 3.329 126.175 122.820 0.043 0.000 2.272 361 A HA -0.159 4.161 4.320 0.001 0.000 0.213 361 A C 0.856 178.454 177.584 0.023 0.000 1.183 361 A CA 1.692 53.756 52.037 0.045 0.000 0.719 361 A CB -0.928 18.083 19.000 0.019 0.000 0.771 361 A HN 0.650 nan 8.150 nan 0.000 0.484 362 D N -1.990 118.424 120.400 0.023 0.000 2.520 362 D HA 0.179 4.820 4.640 0.001 0.000 0.223 362 D C 0.208 176.514 176.300 0.010 0.000 1.186 362 D CA -0.171 53.834 54.000 0.008 0.000 0.821 362 D CB -0.246 40.558 40.800 0.007 0.000 1.072 362 D HN 0.304 nan 8.370 nan 0.000 0.518 363 D N 0.432 120.853 120.400 0.036 0.000 2.443 363 D HA 0.167 4.807 4.640 0.001 0.000 0.234 363 D C 1.629 177.919 176.300 -0.016 0.000 1.172 363 D CA 0.532 54.564 54.000 0.053 0.000 0.878 363 D CB 1.065 41.977 40.800 0.187 0.000 1.204 363 D HN 0.074 nan 8.370 nan 0.000 0.453 364 A N 3.246 126.066 122.820 -0.001 0.000 1.948 364 A HA -0.274 4.046 4.320 0.001 0.000 0.220 364 A C 1.865 179.400 177.584 -0.082 0.000 1.177 364 A CA 1.996 54.018 52.037 -0.026 0.000 0.636 364 A CB -0.685 18.316 19.000 0.000 0.000 0.815 364 A HN 0.756 nan 8.150 nan 0.000 0.449 365 N N -1.026 117.589 118.700 -0.142 0.000 2.173 365 N HA -0.099 4.642 4.740 0.001 0.000 0.184 365 N C 1.653 176.908 175.510 -0.426 0.000 1.025 365 N CA 1.223 54.115 53.050 -0.264 0.000 0.852 365 N CB -0.737 37.569 38.487 -0.300 0.000 0.998 365 N HN 0.518 nan 8.380 nan 0.000 0.427 366 C N 0.766 119.685 119.300 -0.636 0.000 2.403 366 C HA -0.066 4.394 4.460 0.001 0.000 0.279 366 C C 2.341 177.193 174.990 -0.230 0.000 1.269 366 C CA 0.651 59.360 59.018 -0.516 0.000 1.774 366 C CB -1.290 26.295 27.740 -0.259 0.000 1.993 366 C HN 0.377 nan 8.230 nan 0.000 0.496 367 I N 1.105 121.579 120.570 -0.160 0.000 2.162 367 I HA -0.109 4.061 4.170 0.001 0.000 0.238 367 I C 2.904 178.970 176.117 -0.085 0.000 1.076 367 I CA 1.536 62.782 61.300 -0.090 0.000 1.353 367 I CB -0.817 37.148 38.000 -0.059 0.000 1.063 367 I HN 0.335 nan 8.210 nan 0.000 0.408 368 A N 1.244 124.009 122.820 -0.093 0.000 1.986 368 A HA -0.205 4.115 4.320 0.001 0.000 0.220 368 A C 2.236 179.786 177.584 -0.057 0.000 1.171 368 A CA 1.539 53.537 52.037 -0.066 0.000 0.640 368 A CB -0.709 18.253 19.000 -0.063 0.000 0.811 368 A HN 0.375 nan 8.150 nan 0.000 0.451 369 I N -0.553 119.960 120.570 -0.094 0.000 2.163 369 I HA -0.199 3.972 4.170 0.001 0.000 0.240 369 I C 2.317 178.413 176.117 -0.036 0.000 1.081 369 I CA 1.644 62.910 61.300 -0.056 0.000 1.353 369 I CB -1.278 36.633 38.000 -0.148 0.000 1.054 369 I HN 0.355 nan 8.210 nan 0.000 0.407 370 K N 0.934 121.297 120.400 -0.062 0.000 2.032 370 K HA -0.144 4.176 4.320 0.001 0.000 0.209 370 K C 1.473 178.054 176.600 -0.031 0.000 1.048 370 K CA 1.366 57.625 56.287 -0.047 0.000 0.927 370 K CB -0.118 32.358 32.500 -0.040 0.000 0.712 370 K HN 0.332 nan 8.250 nan 0.000 0.441 371 N N 0.506 119.189 118.700 -0.028 0.000 2.449 371 N HA -0.061 4.680 4.740 0.001 0.000 0.191 371 N C 0.180 175.681 175.510 -0.015 0.000 1.161 371 N CA 0.398 53.437 53.050 -0.019 0.000 0.863 371 N CB -0.222 38.253 38.487 -0.019 0.000 0.980 371 N HN 0.207 nan 8.380 nan 0.000 0.458 372 C N 2.206 121.500 119.300 -0.009 0.000 3.860 372 C HA -0.246 4.214 4.460 0.001 0.000 0.292 372 C C 0.170 175.154 174.990 -0.010 0.000 1.445 372 C CA -0.276 58.741 59.018 -0.001 0.000 2.040 372 C CB -2.524 25.209 27.740 -0.010 0.000 1.314 372 C HN 0.414 nan 8.230 nan 0.000 0.678 373 D N 1.378 121.771 120.400 -0.012 0.000 2.339 373 D HA 0.279 4.920 4.640 0.001 0.000 0.256 373 D C -0.425 175.867 176.300 -0.014 0.000 1.214 373 D CA -1.935 52.056 54.000 -0.015 0.000 0.877 373 D CB 0.945 41.735 40.800 -0.017 0.000 1.111 373 D HN 0.404 nan 8.370 nan 0.000 0.478 374 P HA -0.025 nan 4.420 nan 0.000 0.245 374 P C 0.494 177.785 177.300 -0.016 0.000 1.212 374 P CA 0.273 63.362 63.100 -0.018 0.000 0.774 374 P CB 0.458 32.144 31.700 -0.023 0.000 0.999 375 K N -0.517 119.875 120.400 -0.014 0.000 2.348 375 K HA 0.244 4.564 4.320 0.001 0.000 0.194 375 K C 1.368 177.962 176.600 -0.011 0.000 1.052 375 K CA 0.056 56.336 56.287 -0.012 0.000 1.004 375 K CB 0.106 32.599 32.500 -0.012 0.000 0.873 375 K HN 0.073 nan 8.250 nan 0.000 0.523 376 A N 1.815 124.628 122.820 -0.012 0.000 2.310 376 A HA 0.097 4.417 4.320 0.001 0.000 0.260 376 A C -0.135 177.445 177.584 -0.007 0.000 1.112 376 A CA -0.287 51.743 52.037 -0.012 0.000 0.804 376 A CB 0.064 19.052 19.000 -0.019 0.000 1.081 376 A HN 0.133 nan 8.150 nan 0.000 0.499 377 D N -0.099 120.299 120.400 -0.004 0.000 2.472 377 D HA 0.140 4.780 4.640 0.001 0.000 0.237 377 D C 0.173 176.479 176.300 0.009 0.000 1.141 377 D CA 0.187 54.190 54.000 0.004 0.000 0.875 377 D CB 0.435 41.242 40.800 0.011 0.000 1.192 377 D HN 0.366 nan 8.370 nan 0.000 0.450 378 L N 2.583 123.814 121.223 0.014 0.000 2.543 378 L HA -0.037 4.303 4.340 0.001 0.000 0.285 378 L C -0.084 176.815 176.870 0.048 0.000 1.236 378 L CA 0.824 55.678 54.840 0.024 0.000 0.871 378 L CB 0.132 42.201 42.059 0.015 0.000 1.121 378 L HN 0.297 nan 8.230 nan 0.000 0.501 379 M N 7.238 126.882 119.600 0.074 0.000 2.032 379 M HA 0.288 4.768 4.480 0.001 0.000 0.221 379 M C -1.247 175.170 176.300 0.195 0.000 0.941 379 M CA -0.100 55.277 55.300 0.128 0.000 0.895 379 M CB 0.775 33.438 32.600 0.105 0.000 2.146 379 M HN 0.504 nan 8.290 nan 0.000 0.366 380 L N 2.075 123.396 121.223 0.164 0.000 2.287 380 L HA 0.513 4.854 4.340 0.001 0.000 0.287 380 L C -1.430 175.580 176.870 0.233 0.000 1.022 380 L CA -0.735 54.201 54.840 0.159 0.000 0.814 380 L CB 1.448 43.541 42.059 0.057 0.000 1.217 380 L HN 0.556 nan 8.230 nan 0.000 0.420 381 Y N 5.147 125.556 120.300 0.181 0.000 2.353 381 Y HA 0.421 4.971 4.550 0.001 0.000 0.340 381 Y C -0.674 175.280 175.900 0.090 0.000 0.972 381 Y CA -0.577 57.636 58.100 0.190 0.000 1.157 381 Y CB 1.263 39.946 38.460 0.371 0.000 1.157 381 Y HN 0.278 nan 8.280 nan 0.000 0.495 382 V N 7.350 126.992 119.914 -0.454 0.000 2.353 382 V HA 0.056 4.177 4.120 0.001 0.000 0.264 382 V C 0.861 176.637 176.094 -0.531 0.000 1.049 382 V CA 0.623 62.718 62.300 -0.340 0.000 0.896 382 V CB 0.509 32.236 31.823 -0.159 0.000 1.025 382 V HN 1.006 nan 8.190 nan 0.000 0.475 383 S N 4.395 119.974 115.700 -0.202 0.000 2.395 383 S HA 0.045 4.516 4.470 0.001 0.000 0.225 383 S C 0.561 175.219 174.600 0.098 0.000 1.027 383 S CA 0.378 58.612 58.200 0.057 0.000 0.965 383 S CB -0.021 63.392 63.200 0.355 0.000 0.812 383 S HN 0.858 nan 8.310 nan 0.000 0.482 384 K N -0.966 119.522 120.400 0.146 0.000 2.607 384 K HA 0.522 4.842 4.320 0.001 0.000 0.287 384 K C -1.566 175.120 176.600 0.143 0.000 0.996 384 K CA -0.982 55.373 56.287 0.113 0.000 0.876 384 K CB 0.731 33.309 32.500 0.130 0.000 1.496 384 K HN -0.093 nan 8.250 nan 0.000 0.415 385 M N 2.360 122.018 119.600 0.097 0.000 2.205 385 M HA 0.347 4.827 4.480 0.001 0.000 0.344 385 M C -1.022 175.433 176.300 0.259 0.000 1.085 385 M CA -0.985 54.421 55.300 0.177 0.000 1.001 385 M CB 1.294 33.948 32.600 0.090 0.000 1.626 385 M HN 0.601 nan 8.290 nan 0.000 0.442 386 V N 6.908 126.960 119.914 0.231 0.000 2.459 386 V HA 0.592 4.713 4.120 0.001 0.000 0.295 386 V C -2.389 173.619 176.094 -0.142 0.000 1.029 386 V CA -2.193 60.150 62.300 0.073 0.000 0.874 386 V CB 2.281 34.090 31.823 -0.025 0.000 0.985 386 V HN 0.597 nan 8.190 nan 0.000 0.438 387 P HA 0.233 nan 4.420 nan 0.000 0.267 387 P C -0.497 176.437 177.300 -0.610 0.000 1.205 387 P CA 0.342 62.904 63.100 -0.897 0.000 0.765 387 P CB 0.452 31.767 31.700 -0.643 0.000 0.828 388 T N -1.578 112.566 114.554 -0.683 0.000 2.927 388 T HA 0.374 4.725 4.350 0.001 0.000 0.286 388 T C 1.273 175.741 174.700 -0.387 0.000 1.040 388 T CA -0.128 61.635 62.100 -0.561 0.000 1.010 388 T CB 1.133 69.469 68.868 -0.886 0.000 1.177 388 T HN 0.242 nan 8.240 nan 0.000 0.546 389 S N -0.642 114.896 115.700 -0.269 0.000 2.414 389 S HA -0.012 4.459 4.470 0.001 0.000 0.227 389 S C 0.878 175.392 174.600 -0.142 0.000 1.022 389 S CA 0.411 58.509 58.200 -0.171 0.000 0.958 389 S CB -0.620 62.520 63.200 -0.099 0.000 0.797 389 S HN 0.784 nan 8.310 nan 0.000 0.493 390 D N 2.991 123.305 120.400 -0.143 0.000 2.482 390 D HA 0.157 4.798 4.640 0.001 0.000 0.244 390 D C 0.240 176.491 176.300 -0.082 0.000 1.242 390 D CA 0.467 54.422 54.000 -0.075 0.000 1.097 390 D CB -0.765 40.031 40.800 -0.008 0.000 1.109 390 D HN 0.524 nan 8.370 nan 0.000 0.510 391 K N 0.562 120.917 120.400 -0.074 0.000 1.079 391 K HA -0.182 4.139 4.320 0.001 0.000 0.797 391 K C 0.470 177.015 176.600 -0.093 0.000 2.041 391 K CA 0.926 57.178 56.287 -0.059 0.000 1.300 391 K CB -1.316 31.172 32.500 -0.021 0.000 2.431 391 K HN 0.332 nan 8.250 nan 0.000 0.332 392 G N 1.386 110.161 108.800 -0.042 0.000 3.440 392 G HA2 0.151 4.112 3.960 0.001 0.000 0.263 392 G HA3 0.151 4.112 3.960 0.001 0.000 0.263 392 G C 0.125 175.072 174.900 0.079 0.000 1.236 392 G CA -0.061 45.030 45.100 -0.015 0.000 0.927 392 G HN 0.299 nan 8.290 nan 0.000 0.530 393 R N -0.584 119.914 120.500 -0.003 0.000 2.615 393 R HA 0.520 4.861 4.340 0.001 0.000 0.270 393 R C -0.929 175.365 176.300 -0.010 0.000 1.081 393 R CA -0.072 56.093 56.100 0.110 0.000 1.154 393 R CB 0.827 31.174 30.300 0.078 0.000 1.063 393 R HN 0.183 nan 8.270 nan 0.000 0.519 394 F N 0.627 120.552 119.950 -0.042 0.000 2.532 394 F HA 0.367 4.894 4.527 0.001 0.000 0.321 394 F C -0.473 175.424 175.800 0.161 0.000 1.089 394 F CA -1.062 56.915 58.000 -0.039 0.000 0.926 394 F CB 1.295 40.285 39.000 -0.017 0.000 1.168 394 F HN 0.224 nan 8.300 nan 0.000 0.459 395 Y N 1.371 121.759 120.300 0.148 0.000 2.387 395 Y HA 0.627 5.177 4.550 0.001 0.000 0.330 395 Y C 0.315 176.305 175.900 0.151 0.000 1.133 395 Y CA -2.198 55.974 58.100 0.120 0.000 1.152 395 Y CB 1.238 39.746 38.460 0.080 0.000 1.215 395 Y HN 0.599 nan 8.280 nan 0.000 0.466 396 A N 3.690 126.680 122.820 0.282 0.000 2.366 396 A HA 0.485 4.805 4.320 0.001 0.000 0.272 396 A C -1.291 176.429 177.584 0.227 0.000 1.135 396 A CA -0.254 51.904 52.037 0.202 0.000 0.804 396 A CB -0.248 18.823 19.000 0.118 0.000 1.064 396 A HN 0.557 nan 8.150 nan 0.000 0.499 397 F N 2.499 122.488 119.950 0.065 0.000 2.467 397 F HA 0.683 5.210 4.527 0.001 0.000 0.336 397 F C 0.404 176.229 175.800 0.041 0.000 1.123 397 F CA 0.445 58.478 58.000 0.054 0.000 0.964 397 F CB 1.545 40.579 39.000 0.056 0.000 1.136 397 F HN 0.882 nan 8.300 nan 0.000 0.447 398 G N 5.182 113.566 108.800 -0.694 0.000 2.500 398 G HA2 0.461 4.422 3.960 0.001 0.000 0.299 398 G HA3 0.461 4.422 3.960 0.001 0.000 0.299 398 G C -2.027 172.604 174.900 -0.447 0.000 1.242 398 G CA -1.118 43.709 45.100 -0.454 0.000 0.859 398 G HN 0.750 nan 8.290 nan 0.000 0.481 399 R N -0.626 119.751 120.500 -0.205 0.000 2.673 399 R HA 0.595 4.936 4.340 0.001 0.000 0.281 399 R C -1.445 174.687 176.300 -0.280 0.000 0.991 399 R CA -0.561 55.342 56.100 -0.328 0.000 0.896 399 R CB 2.280 32.264 30.300 -0.527 0.000 1.201 399 R HN 0.389 nan 8.270 nan 0.000 0.457 400 V N 5.948 125.697 119.914 -0.276 0.000 2.356 400 V HA 0.191 4.311 4.120 0.001 0.000 0.258 400 V C 0.443 176.411 176.094 -0.210 0.000 1.065 400 V CA -0.042 62.166 62.300 -0.153 0.000 0.935 400 V CB 0.436 32.197 31.823 -0.102 0.000 1.061 400 V HN 0.766 nan 8.190 nan 0.000 0.484 401 F N 2.677 122.620 119.950 -0.012 0.000 2.416 401 F HA 0.423 4.950 4.527 0.001 0.000 0.296 401 F C 1.309 177.082 175.800 -0.044 0.000 1.099 401 F CA 0.923 58.903 58.000 -0.033 0.000 1.427 401 F CB 0.253 39.237 39.000 -0.026 0.000 1.079 401 F HN 0.578 nan 8.300 nan 0.000 0.536 402 A N -1.138 121.756 122.820 0.122 0.000 2.594 402 A HA 0.631 4.952 4.320 0.001 0.000 0.295 402 A C 0.226 177.823 177.584 0.022 0.000 1.071 402 A CA -0.275 51.792 52.037 0.049 0.000 0.685 402 A CB 0.426 19.443 19.000 0.029 0.000 1.285 402 A HN 0.660 nan 8.150 nan 0.000 0.405 403 G N 0.064 108.866 108.800 0.003 0.000 2.645 403 G HA2 0.383 4.343 3.960 0.001 0.000 0.246 403 G HA3 0.383 4.343 3.960 0.001 0.000 0.246 403 G C 0.137 175.030 174.900 -0.012 0.000 1.322 403 G CA 0.570 45.668 45.100 -0.004 0.000 0.898 403 G HN 2.815 nan 8.290 nan 0.000 0.573 404 T N -3.759 110.786 114.554 -0.014 0.000 2.971 404 T HA 0.647 4.997 4.350 0.001 0.000 0.304 404 T C -0.393 174.295 174.700 -0.021 0.000 1.038 404 T CA 0.138 62.224 62.100 -0.022 0.000 1.007 404 T CB 1.787 70.640 68.868 -0.024 0.000 1.055 404 T HN 1.994 nan 8.240 nan 0.000 0.451 405 V N 3.488 123.387 119.914 -0.025 0.000 2.644 405 V HA 0.812 4.933 4.120 0.001 0.000 0.295 405 V C -0.736 175.342 176.094 -0.027 0.000 1.053 405 V CA -0.408 61.877 62.300 -0.025 0.000 0.987 405 V CB 0.938 32.744 31.823 -0.028 0.000 1.006 405 V HN 1.151 nan 8.190 nan 0.000 0.472 406 K N 3.379 123.764 120.400 -0.026 0.000 2.542 406 K HA 0.456 4.776 4.320 0.001 0.000 0.259 406 K C -0.779 175.805 176.600 -0.026 0.000 0.932 406 K CA -0.559 55.712 56.287 -0.026 0.000 0.820 406 K CB 1.551 34.038 32.500 -0.023 0.000 1.345 406 K HN 0.423 nan 8.250 nan 0.000 0.432 407 S N 0.815 116.498 115.700 -0.028 0.000 2.626 407 S HA 0.196 4.667 4.470 0.001 0.000 0.303 407 S C 1.332 175.919 174.600 -0.022 0.000 1.256 407 S CA 1.572 59.755 58.200 -0.028 0.000 1.069 407 S CB 0.045 63.228 63.200 -0.028 0.000 0.807 407 S HN 1.049 nan 8.310 nan 0.000 0.500 408 G N 2.375 111.163 108.800 -0.020 0.000 2.336 408 G HA2 -0.307 3.653 3.960 0.001 0.000 0.233 408 G HA3 -0.307 3.653 3.960 0.001 0.000 0.233 408 G C 0.175 175.064 174.900 -0.018 0.000 1.053 408 G CA 0.296 45.387 45.100 -0.016 0.000 0.625 408 G HN 0.803 nan 8.290 nan 0.000 0.511 409 Q N 1.398 121.186 119.800 -0.020 0.000 2.310 409 Q HA 0.262 4.603 4.340 0.001 0.000 0.315 409 Q C 0.328 176.312 176.000 -0.026 0.000 1.081 409 Q CA 0.635 56.425 55.803 -0.021 0.000 0.981 409 Q CB 0.281 29.007 28.738 -0.021 0.000 1.184 409 Q HN 0.512 nan 8.270 nan 0.000 0.389 410 K N 2.635 123.018 120.400 -0.029 0.000 2.143 410 K HA 0.453 4.773 4.320 0.001 0.000 0.272 410 K C -1.367 175.207 176.600 -0.045 0.000 1.001 410 K CA -0.605 55.658 56.287 -0.040 0.000 0.915 410 K CB 1.116 33.594 32.500 -0.037 0.000 1.047 410 K HN 0.481 nan 8.250 nan 0.000 0.458 411 V N 3.504 123.380 119.914 -0.062 0.000 3.078 411 V HA 0.436 4.557 4.120 0.001 0.000 0.311 411 V C -0.707 175.333 176.094 -0.090 0.000 1.138 411 V CA -1.114 61.149 62.300 -0.062 0.000 1.007 411 V CB 2.124 33.918 31.823 -0.048 0.000 1.045 411 V HN 0.783 nan 8.190 nan 0.000 0.432 412 R N 2.292 122.739 120.500 -0.088 0.000 2.265 412 R HA 0.591 4.931 4.340 0.001 0.000 0.314 412 R C -0.925 175.288 176.300 -0.145 0.000 1.053 412 R CA -0.241 55.779 56.100 -0.133 0.000 0.931 412 R CB 0.850 31.066 30.300 -0.140 0.000 1.024 412 R HN 0.539 nan 8.270 nan 0.000 0.457 413 I N 4.043 124.515 120.570 -0.163 0.000 2.337 413 I HA 0.114 4.284 4.170 0.001 0.000 0.285 413 I C -0.028 175.964 176.117 -0.208 0.000 1.041 413 I CA -0.399 60.833 61.300 -0.113 0.000 1.199 413 I CB 1.191 39.176 38.000 -0.025 0.000 1.370 413 I HN 0.400 nan 8.210 nan 0.000 0.470 414 Q N 5.392 125.046 119.800 -0.242 0.000 2.349 414 Q HA 0.402 4.742 4.340 0.001 0.000 0.254 414 Q C 0.530 176.477 176.000 -0.089 0.000 0.980 414 Q CA -0.500 55.083 55.803 -0.366 0.000 0.924 414 Q CB 1.753 30.231 28.738 -0.433 0.000 1.209 414 Q HN 0.769 nan 8.270 nan 0.000 0.445 415 G N 2.928 111.690 108.800 -0.063 0.000 2.616 415 G HA2 0.131 4.092 3.960 0.001 0.000 0.268 415 G HA3 0.131 4.092 3.960 0.001 0.000 0.268 415 G C -1.716 173.246 174.900 0.103 0.000 1.213 415 G CA -1.218 43.911 45.100 0.047 0.000 0.926 415 G HN 0.356 nan 8.290 nan 0.000 0.523 416 P HA -0.146 nan 4.420 nan 0.000 0.216 416 P C 1.389 178.724 177.300 0.059 0.000 1.154 416 P CA 1.237 64.392 63.100 0.091 0.000 0.865 416 P CB 0.198 31.931 31.700 0.054 0.000 0.789 417 N N -2.870 115.860 118.700 0.049 0.000 2.412 417 N HA -0.049 4.691 4.740 0.001 0.000 0.184 417 N C 0.520 176.057 175.510 0.046 0.000 1.101 417 N CA 0.043 53.109 53.050 0.027 0.000 0.881 417 N CB -0.452 38.039 38.487 0.007 0.000 0.969 417 N HN 0.227 nan 8.380 nan 0.000 0.459 418 Y N 1.736 122.000 120.300 -0.059 0.000 2.652 418 Y HA 0.069 4.619 4.550 0.001 0.000 0.344 418 Y C -0.026 175.828 175.900 -0.075 0.000 1.254 418 Y CA 0.113 58.166 58.100 -0.077 0.000 1.480 418 Y CB 0.552 38.965 38.460 -0.079 0.000 1.345 418 Y HN -0.273 nan 8.280 nan 0.000 0.617 419 V N 7.795 127.111 119.914 -0.997 0.000 2.737 419 V HA 0.148 4.269 4.120 0.001 0.000 0.298 419 V C -1.925 173.491 176.094 -1.129 0.000 1.163 419 V CA -1.351 60.457 62.300 -0.820 0.000 0.925 419 V CB 1.850 33.442 31.823 -0.386 0.000 1.037 419 V HN 0.635 nan 8.190 nan 0.000 0.433 420 P HA -0.225 nan 4.420 nan 0.000 0.219 420 P C 1.549 178.636 177.300 -0.355 0.000 1.151 420 P CA 2.123 64.855 63.100 -0.613 0.000 0.850 420 P CB 0.292 31.646 31.700 -0.576 0.000 0.784 421 G N -0.476 108.134 108.800 -0.317 0.000 2.524 421 G HA2 -0.169 3.792 3.960 0.001 0.000 0.215 421 G HA3 -0.169 3.792 3.960 0.001 0.000 0.215 421 G C 0.719 175.536 174.900 -0.137 0.000 1.239 421 G CA 0.724 45.718 45.100 -0.176 0.000 0.798 421 G HN 0.279 nan 8.290 nan 0.000 0.557 422 K N -0.565 119.740 120.400 -0.159 0.000 2.318 422 K HA 0.403 4.724 4.320 0.001 0.000 0.243 422 K C 0.571 177.156 176.600 -0.026 0.000 1.047 422 K CA -0.373 55.863 56.287 -0.085 0.000 0.937 422 K CB 0.640 33.094 32.500 -0.077 0.000 1.225 422 K HN -0.074 nan 8.250 nan 0.000 0.506 423 K N 0.975 121.387 120.400 0.019 0.000 2.414 423 K HA 0.035 4.355 4.320 0.001 0.000 0.204 423 K C -0.610 176.018 176.600 0.047 0.000 1.026 423 K CA -0.059 56.269 56.287 0.070 0.000 1.108 423 K CB 0.379 32.901 32.500 0.036 0.000 0.855 423 K HN 0.547 nan 8.250 nan 0.000 0.517 424 D N 1.722 122.143 120.400 0.034 0.000 2.424 424 D HA -0.064 4.576 4.640 0.001 0.000 0.244 424 D C 0.267 176.569 176.300 0.003 0.000 1.134 424 D CA 0.620 54.621 54.000 0.001 0.000 0.881 424 D CB 0.593 41.389 40.800 -0.007 0.000 1.191 424 D HN 0.034 nan 8.370 nan 0.000 0.445 425 D N 0.894 121.212 120.400 -0.137 0.000 2.772 425 D HA -0.200 4.440 4.640 0.001 0.000 0.233 425 D C -1.213 174.817 176.300 -0.449 0.000 1.143 425 D CA 0.393 54.231 54.000 -0.269 0.000 0.700 425 D CB -1.042 39.719 40.800 -0.065 0.000 1.076 425 D HN 0.346 nan 8.370 nan 0.000 0.430 426 L N -0.024 120.860 121.223 -0.565 0.000 2.346 426 L HA 0.728 5.069 4.340 0.001 0.000 0.274 426 L C -1.192 175.296 176.870 -0.638 0.000 1.007 426 L CA -0.603 53.907 54.840 -0.551 0.000 0.818 426 L CB 1.401 43.276 42.059 -0.306 0.000 1.284 426 L HN -0.093 nan 8.230 nan 0.000 0.424 427 F N 5.563 125.407 119.950 -0.177 0.000 2.959 427 F HA 0.414 4.941 4.527 0.001 0.000 0.379 427 F C -0.213 175.399 175.800 -0.313 0.000 1.215 427 F CA -0.861 57.002 58.000 -0.228 0.000 1.190 427 F CB 0.689 39.514 39.000 -0.292 0.000 1.574 427 F HN 0.239 nan 8.300 nan 0.000 0.575 428 I N 4.554 125.096 120.570 -0.047 0.000 2.577 428 I HA 0.043 4.214 4.170 0.001 0.000 0.299 428 I C 0.228 176.255 176.117 -0.151 0.000 1.157 428 I CA 0.400 61.639 61.300 -0.100 0.000 1.418 428 I CB -0.339 37.625 38.000 -0.060 0.000 1.467 428 I HN 0.249 nan 8.210 nan 0.000 0.624 429 K N 4.402 124.658 120.400 -0.241 0.000 2.378 429 K HA 0.783 5.104 4.320 0.001 0.000 0.244 429 K C -0.634 175.871 176.600 -0.159 0.000 1.039 429 K CA -0.932 55.189 56.287 -0.276 0.000 0.863 429 K CB 2.014 34.129 32.500 -0.642 0.000 1.326 429 K HN 0.384 nan 8.250 nan 0.000 0.460 430 A N 1.500 124.262 122.820 -0.096 0.000 2.290 430 A HA 0.469 4.789 4.320 0.001 0.000 0.310 430 A C -0.053 177.519 177.584 -0.020 0.000 1.202 430 A CA -0.635 51.375 52.037 -0.046 0.000 0.837 430 A CB 0.055 19.041 19.000 -0.024 0.000 1.139 430 A HN 0.503 nan 8.150 nan 0.000 0.509 431 I N 3.465 124.023 120.570 -0.020 0.000 2.471 431 I HA -0.021 4.150 4.170 0.001 0.000 0.294 431 I C 1.653 177.764 176.117 -0.009 0.000 1.123 431 I CA 0.574 61.868 61.300 -0.009 0.000 1.336 431 I CB 0.031 38.019 38.000 -0.020 0.000 1.430 431 I HN 0.891 nan 8.210 nan 0.000 0.533 432 Q N 5.838 125.641 119.800 0.005 0.000 2.014 432 Q HA -0.099 4.242 4.340 0.001 0.000 0.207 432 Q C 0.370 176.351 176.000 -0.032 0.000 0.993 432 Q CA 1.669 57.470 55.803 -0.004 0.000 0.850 432 Q CB 0.402 29.147 28.738 0.012 0.000 0.916 432 Q HN 0.574 nan 8.270 nan 0.000 0.417 433 R N -1.289 119.172 120.500 -0.065 0.000 2.668 433 R HA 0.449 4.790 4.340 0.001 0.000 0.272 433 R C -1.568 174.665 176.300 -0.111 0.000 1.019 433 R CA -0.515 55.533 56.100 -0.087 0.000 0.894 433 R CB 2.436 32.672 30.300 -0.106 0.000 1.228 433 R HN -0.105 nan 8.270 nan 0.000 0.460 434 V N 3.252 123.116 119.914 -0.083 0.000 2.370 434 V HA 0.511 4.632 4.120 0.001 0.000 0.283 434 V C -0.203 175.850 176.094 -0.068 0.000 1.023 434 V CA -0.614 61.642 62.300 -0.073 0.000 0.857 434 V CB 1.444 33.239 31.823 -0.048 0.000 0.985 434 V HN 0.575 nan 8.190 nan 0.000 0.443 435 V N 3.411 123.284 119.914 -0.069 0.000 2.925 435 V HA 0.660 4.781 4.120 0.001 0.000 0.311 435 V C -0.684 175.424 176.094 0.023 0.000 1.104 435 V CA -1.039 61.244 62.300 -0.028 0.000 0.954 435 V CB 2.087 33.882 31.823 -0.046 0.000 1.022 435 V HN 0.617 nan 8.190 nan 0.000 0.427 436 L N 4.129 125.381 121.223 0.049 0.000 2.331 436 L HA 0.434 4.775 4.340 0.001 0.000 0.278 436 L C 0.345 177.285 176.870 0.116 0.000 1.106 436 L CA -0.446 54.439 54.840 0.075 0.000 0.824 436 L CB 1.247 43.347 42.059 0.068 0.000 1.142 436 L HN 0.579 nan 8.230 nan 0.000 0.443 437 M N 4.802 124.491 119.600 0.149 0.000 3.422 437 M HA 0.169 4.649 4.480 0.001 0.000 0.248 437 M C -0.071 176.292 176.300 0.105 0.000 1.433 437 M CA 0.157 55.550 55.300 0.156 0.000 1.592 437 M CB -0.042 32.710 32.600 0.253 0.000 1.078 437 M HN 0.535 nan 8.290 nan 0.000 0.578 438 M N 1.531 121.192 119.600 0.103 0.000 3.593 438 M HA 0.157 4.637 4.480 0.001 0.000 0.204 438 M C 1.343 177.649 176.300 0.010 0.000 1.569 438 M CA 0.333 55.692 55.300 0.099 0.000 1.694 438 M CB -1.699 31.005 32.600 0.173 0.000 1.149 438 M HN 0.868 nan 8.290 nan 0.000 0.552 439 G N 2.472 111.246 108.800 -0.043 0.000 3.274 439 G HA2 -0.366 3.595 3.960 0.001 0.000 0.313 439 G HA3 -0.366 3.595 3.960 0.001 0.000 0.313 439 G C 1.115 175.856 174.900 -0.266 0.000 1.295 439 G CA 0.442 45.453 45.100 -0.148 0.000 1.004 439 G HN 0.561 nan 8.290 nan 0.000 0.614 440 R N -0.155 120.024 120.500 -0.534 0.000 2.437 440 R HA 0.412 4.753 4.340 0.001 0.000 0.257 440 R C -0.245 175.665 176.300 -0.650 0.000 0.927 440 R CA -0.037 55.672 56.100 -0.652 0.000 1.078 440 R CB 0.380 30.209 30.300 -0.785 0.000 1.161 440 R HN 0.280 nan 8.270 nan 0.000 0.529 441 F N 0.286 120.242 119.950 0.011 0.000 2.538 441 F HA 0.432 4.960 4.527 0.001 0.000 0.325 441 F C 0.265 176.097 175.800 0.054 0.000 1.066 441 F CA -1.855 56.161 58.000 0.026 0.000 0.946 441 F CB 1.140 40.152 39.000 0.021 0.000 1.199 441 F HN -0.355 nan 8.300 nan 0.000 0.473 442 V N -0.859 119.210 119.914 0.260 0.000 2.667 442 V HA 0.855 4.975 4.120 0.001 0.000 0.308 442 V C -1.116 175.068 176.094 0.150 0.000 1.048 442 V CA -0.627 61.789 62.300 0.193 0.000 0.928 442 V CB 1.791 33.751 31.823 0.228 0.000 1.004 442 V HN 0.751 nan 8.190 nan 0.000 0.444 443 E N 4.177 124.441 120.200 0.107 0.000 2.255 443 E HA 0.594 4.945 4.350 0.001 0.000 0.256 443 E C -2.932 173.691 176.600 0.039 0.000 0.887 443 E CA -2.282 54.162 56.400 0.072 0.000 0.782 443 E CB 2.158 31.903 29.700 0.075 0.000 1.214 443 E HN 0.653 nan 8.360 nan 0.000 0.417 444 P HA 0.063 nan 4.420 nan 0.000 0.264 444 P C -0.865 176.434 177.300 -0.002 0.000 1.183 444 P CA 0.066 63.166 63.100 -0.001 0.000 0.763 444 P CB 0.372 32.071 31.700 -0.003 0.000 0.807 445 I N 2.085 122.647 120.570 -0.013 0.000 2.656 445 I HA 0.234 4.404 4.170 0.001 0.000 0.292 445 I C 0.666 176.770 176.117 -0.021 0.000 1.144 445 I CA -0.465 60.827 61.300 -0.014 0.000 1.038 445 I CB 1.569 39.561 38.000 -0.013 0.000 1.244 445 I HN 0.245 nan 8.210 nan 0.000 0.420 446 D N 4.120 124.507 120.400 -0.020 0.000 2.137 446 D HA -0.140 4.501 4.640 0.001 0.000 0.193 446 D C -0.023 176.262 176.300 -0.025 0.000 0.993 446 D CA 1.976 55.963 54.000 -0.022 0.000 0.846 446 D CB 0.002 40.790 40.800 -0.020 0.000 0.990 446 D HN 0.787 nan 8.370 nan 0.000 0.448 447 D N -1.109 119.276 120.400 -0.026 0.000 2.553 447 D HA 0.366 5.007 4.640 0.001 0.000 0.249 447 D C -0.831 175.449 176.300 -0.033 0.000 1.062 447 D CA -0.731 53.252 54.000 -0.029 0.000 1.085 447 D CB 2.060 42.845 40.800 -0.026 0.000 1.350 447 D HN 0.206 nan 8.370 nan 0.000 0.575 448 C N 1.335 120.614 119.300 -0.036 0.000 2.833 448 C HA 0.430 4.891 4.460 0.001 0.000 0.383 448 C C -2.860 172.102 174.990 -0.046 0.000 1.058 448 C CA -0.930 58.062 59.018 -0.043 0.000 1.259 448 C CB 1.042 28.753 27.740 -0.048 0.000 1.726 448 C HN 0.479 nan 8.230 nan 0.000 0.484 449 P HA 0.318 nan 4.420 nan 0.000 0.274 449 P C -0.064 177.201 177.300 -0.058 0.000 1.231 449 P CA 0.266 63.339 63.100 -0.045 0.000 0.790 449 P CB 0.879 32.554 31.700 -0.041 0.000 0.951 450 A N 1.491 124.280 122.820 -0.051 0.000 2.587 450 A HA 0.333 4.654 4.320 0.001 0.000 0.233 450 A C 1.488 179.017 177.584 -0.092 0.000 1.049 450 A CA 1.154 53.151 52.037 -0.066 0.000 0.754 450 A CB -1.572 17.409 19.000 -0.031 0.000 0.977 450 A HN 0.928 nan 8.150 nan 0.000 0.509 451 G N 1.793 110.500 108.800 -0.155 0.000 2.231 451 G HA2 -0.190 3.770 3.960 0.001 0.000 0.206 451 G HA3 -0.190 3.770 3.960 0.001 0.000 0.206 451 G C 0.004 174.802 174.900 -0.170 0.000 0.996 451 G CA 0.282 45.286 45.100 -0.161 0.000 0.645 451 G HN 0.973 nan 8.290 nan 0.000 0.498 452 N N -0.289 118.314 118.700 -0.162 0.000 2.459 452 N HA 0.731 5.472 4.740 0.001 0.000 0.288 452 N C -0.756 174.644 175.510 -0.183 0.000 1.186 452 N CA -0.612 52.355 53.050 -0.137 0.000 0.917 452 N CB 1.250 39.683 38.487 -0.090 0.000 1.219 452 N HN 0.054 nan 8.380 nan 0.000 0.525 453 I N 1.517 122.000 120.570 -0.147 0.000 2.304 453 I HA 0.364 4.534 4.170 0.001 0.000 0.291 453 I C -0.575 175.456 176.117 -0.142 0.000 1.018 453 I CA -0.193 60.984 61.300 -0.205 0.000 1.260 453 I CB 0.308 38.238 38.000 -0.118 0.000 1.390 453 I HN 0.440 nan 8.210 nan 0.000 0.475 454 I N 4.843 125.292 120.570 -0.201 0.000 3.239 454 I HA 0.862 5.032 4.170 0.001 0.000 0.314 454 I C -0.130 175.948 176.117 -0.066 0.000 1.126 454 I CA -0.560 60.686 61.300 -0.090 0.000 0.973 454 I CB 2.373 40.326 38.000 -0.079 0.000 1.252 454 I HN 0.475 nan 8.210 nan 0.000 0.463 455 G N 3.496 112.308 108.800 0.019 0.000 2.566 455 G HA2 0.667 4.627 3.960 0.001 0.000 0.311 455 G HA3 0.667 4.627 3.960 0.001 0.000 0.311 455 G C -1.784 173.107 174.900 -0.015 0.000 1.322 455 G CA -0.519 44.624 45.100 0.072 0.000 0.969 455 G HN 0.535 nan 8.290 nan 0.000 0.490 456 L N 1.463 122.680 121.223 -0.010 0.000 2.346 456 L HA 0.603 4.943 4.340 0.001 0.000 0.274 456 L C -0.472 176.318 176.870 -0.134 0.000 1.007 456 L CA -1.248 53.556 54.840 -0.062 0.000 0.818 456 L CB 2.331 44.385 42.059 -0.008 0.000 1.284 456 L HN 0.162 nan 8.230 nan 0.000 0.424 457 V N 1.349 121.135 119.914 -0.215 0.000 2.384 457 V HA 0.657 4.778 4.120 0.001 0.000 0.287 457 V C 0.666 176.740 176.094 -0.032 0.000 1.020 457 V CA 0.076 62.210 62.300 -0.278 0.000 0.850 457 V CB 1.088 32.625 31.823 -0.476 0.000 0.987 457 V HN 1.058 nan 8.190 nan 0.000 0.436 458 G N 4.130 112.984 108.800 0.090 0.000 2.151 458 G HA2 -0.153 3.807 3.960 0.001 0.000 0.156 458 G HA3 -0.153 3.807 3.960 0.001 0.000 0.156 458 G C 0.182 175.222 174.900 0.234 0.000 1.017 458 G CA 0.145 45.328 45.100 0.138 0.000 0.686 458 G HN 0.629 nan 8.290 nan 0.000 0.503 459 I N 0.464 121.172 120.570 0.230 0.000 4.032 459 I HA 0.096 4.266 4.170 0.001 0.000 0.313 459 I C 2.303 178.523 176.117 0.172 0.000 1.272 459 I CA 0.745 62.266 61.300 0.369 0.000 1.307 459 I CB 0.009 38.162 38.000 0.255 0.000 1.155 459 I HN 0.209 nan 8.210 nan 0.000 0.431 460 D N 1.859 122.310 120.400 0.085 0.000 2.585 460 D HA -0.355 4.286 4.640 0.001 0.000 0.190 460 D C 1.649 177.839 176.300 -0.183 0.000 1.057 460 D CA 1.830 55.824 54.000 -0.010 0.000 0.900 460 D CB -0.735 40.109 40.800 0.074 0.000 0.900 460 D HN 0.534 nan 8.370 nan 0.000 0.463 461 Q N -0.746 118.793 119.800 -0.436 0.000 2.228 461 Q HA 0.124 4.465 4.340 0.001 0.000 0.211 461 Q C 0.226 175.720 176.000 -0.844 0.000 0.890 461 Q CA 0.095 55.511 55.803 -0.644 0.000 0.953 461 Q CB -0.091 28.186 28.738 -0.769 0.000 1.053 461 Q HN 0.401 nan 8.270 nan 0.000 0.471 462 F N -0.214 119.723 119.950 -0.023 0.000 2.754 462 F HA 0.361 4.889 4.527 0.001 0.000 0.316 462 F C 0.452 176.375 175.800 0.205 0.000 0.959 462 F CA -0.258 57.797 58.000 0.092 0.000 1.148 462 F CB 0.847 39.918 39.000 0.118 0.000 0.951 462 F HN -0.098 nan 8.300 nan 0.000 0.625 463 L N 1.373 122.744 121.223 0.248 0.000 2.325 463 L HA 0.363 4.703 4.340 0.001 0.000 0.281 463 L C 0.752 177.628 176.870 0.009 0.000 1.004 463 L CA -0.433 54.496 54.840 0.149 0.000 0.823 463 L CB 2.277 44.406 42.059 0.117 0.000 1.236 463 L HN 0.091 nan 8.230 nan 0.000 0.415 464 L N 2.253 123.468 121.223 -0.013 0.000 2.005 464 L HA -0.158 4.183 4.340 0.001 0.000 0.207 464 L C 1.927 178.578 176.870 -0.365 0.000 1.072 464 L CA 1.636 56.366 54.840 -0.183 0.000 0.744 464 L CB -0.243 41.737 42.059 -0.131 0.000 0.895 464 L HN 0.659 nan 8.230 nan 0.000 0.433 465 K N -2.173 117.949 120.400 -0.464 0.000 3.003 465 K HA 0.165 4.485 4.320 0.001 0.000 0.213 465 K C 0.195 176.666 176.600 -0.216 0.000 1.785 465 K CA 0.460 56.496 56.287 -0.418 0.000 1.275 465 K CB 0.339 32.407 32.500 -0.721 0.000 2.112 465 K HN -0.030 nan 8.250 nan 0.000 0.542 466 T N 0.070 114.525 114.554 -0.165 0.000 2.940 466 T HA 0.800 5.151 4.350 0.001 0.000 0.288 466 T C -0.291 174.410 174.700 0.001 0.000 1.033 466 T CA -0.216 61.851 62.100 -0.055 0.000 1.033 466 T CB 1.670 70.575 68.868 0.060 0.000 1.079 466 T HN 0.456 nan 8.240 nan 0.000 0.496 467 G N 0.346 109.081 108.800 -0.108 0.000 2.328 467 G HA2 0.504 4.464 3.960 0.001 0.000 0.295 467 G HA3 0.504 4.464 3.960 0.001 0.000 0.295 467 G C -1.462 173.395 174.900 -0.072 0.000 1.413 467 G CA -0.716 44.366 45.100 -0.030 0.000 0.817 467 G HN 0.711 nan 8.290 nan 0.000 0.546 468 T N 0.156 114.722 114.554 0.021 0.000 2.863 468 T HA 0.660 5.010 4.350 0.001 0.000 0.285 468 T C -0.946 173.772 174.700 0.031 0.000 1.009 468 T CA -0.370 61.771 62.100 0.067 0.000 0.989 468 T CB 1.598 70.556 68.868 0.149 0.000 1.004 468 T HN 0.376 nan 8.240 nan 0.000 0.455 469 L N 3.368 124.620 121.223 0.048 0.000 2.333 469 L HA 0.704 5.044 4.340 0.001 0.000 0.280 469 L C 0.711 177.602 176.870 0.035 0.000 1.004 469 L CA -0.230 54.620 54.840 0.015 0.000 0.820 469 L CB 1.760 43.825 42.059 0.010 0.000 1.247 469 L HN 0.965 nan 8.230 nan 0.000 0.416 470 T N -2.135 112.423 114.554 0.006 0.000 2.669 470 T HA 0.648 4.998 4.350 0.001 0.000 0.283 470 T C 0.263 174.964 174.700 0.001 0.000 1.019 470 T CA -0.125 61.990 62.100 0.026 0.000 1.039 470 T CB 1.896 70.800 68.868 0.059 0.000 1.374 470 T HN 0.318 nan 8.240 nan 0.000 0.523 471 T N 0.011 114.573 114.554 0.014 0.000 3.100 471 T HA 0.351 4.701 4.350 0.001 0.000 0.255 471 T C 0.612 175.322 174.700 0.017 0.000 0.893 471 T CA 0.081 62.184 62.100 0.005 0.000 0.882 471 T CB 0.300 69.170 68.868 0.004 0.000 1.266 471 T HN 0.691 nan 8.240 nan 0.000 0.528 472 S N 1.720 117.442 115.700 0.036 0.000 2.505 472 S HA 0.185 4.656 4.470 0.001 0.000 0.276 472 S C 1.057 175.695 174.600 0.063 0.000 1.274 472 S CA -0.234 57.996 58.200 0.050 0.000 1.053 472 S CB 1.197 64.439 63.200 0.068 0.000 0.919 472 S HN 0.406 nan 8.310 nan 0.000 0.490 473 E N 2.318 122.550 120.200 0.054 0.000 2.274 473 E HA -0.074 4.276 4.350 0.001 0.000 0.194 473 E C 0.958 177.607 176.600 0.082 0.000 0.996 473 E CA 1.164 57.600 56.400 0.062 0.000 0.840 473 E CB 0.136 29.861 29.700 0.041 0.000 0.772 473 E HN 0.805 nan 8.360 nan 0.000 0.491 474 T N -1.924 112.679 114.554 0.082 0.000 3.258 474 T HA 0.549 4.899 4.350 0.001 0.000 0.263 474 T C -0.028 174.767 174.700 0.158 0.000 0.983 474 T CA -0.304 61.847 62.100 0.086 0.000 0.907 474 T CB 0.917 69.837 68.868 0.086 0.000 1.096 474 T HN 0.100 nan 8.240 nan 0.000 0.556 475 A N 1.431 124.360 122.820 0.182 0.000 2.260 475 A HA 0.642 4.962 4.320 0.001 0.000 0.308 475 A C -0.247 177.518 177.584 0.302 0.000 1.254 475 A CA -0.635 51.582 52.037 0.301 0.000 0.874 475 A CB 0.143 19.285 19.000 0.236 0.000 1.153 475 A HN 0.615 nan 8.150 nan 0.000 0.527 476 H N 1.280 120.481 119.070 0.219 0.000 2.598 476 H HA 0.218 4.775 4.556 0.001 0.000 0.371 476 H C 0.516 175.906 175.328 0.104 0.000 1.468 476 H CA 0.261 56.318 56.048 0.015 0.000 1.454 476 H CB 0.437 29.997 29.762 -0.338 0.000 1.579 476 H HN 0.664 nan 8.280 nan 0.000 0.611 477 N N 0.284 119.087 118.700 0.170 0.000 2.493 477 N HA 0.179 4.919 4.740 0.001 0.000 0.275 477 N C -0.267 175.317 175.510 0.123 0.000 1.186 477 N CA -0.234 52.926 53.050 0.183 0.000 0.978 477 N CB 0.793 39.384 38.487 0.172 0.000 1.184 477 N HN 0.399 nan 8.380 nan 0.000 0.487 478 M N 0.514 120.239 119.600 0.207 0.000 2.342 478 M HA 0.167 4.648 4.480 0.001 0.000 0.332 478 M C 0.443 176.834 176.300 0.151 0.000 1.166 478 M CA -0.838 54.563 55.300 0.168 0.000 1.086 478 M CB 0.703 33.420 32.600 0.196 0.000 1.541 478 M HN 0.247 nan 8.290 nan 0.000 0.462 479 K N 2.493 122.916 120.400 0.038 0.000 2.327 479 K HA -0.041 4.280 4.320 0.001 0.000 0.254 479 K C -0.777 175.927 176.600 0.173 0.000 1.251 479 K CA 0.121 56.435 56.287 0.046 0.000 1.261 479 K CB -0.968 31.514 32.500 -0.030 0.000 0.766 479 K HN 0.498 nan 8.250 nan 0.000 0.510 480 V N 2.623 122.635 119.914 0.164 0.000 2.924 480 V HA 0.354 4.475 4.120 0.001 0.000 0.305 480 V C 0.314 176.522 176.094 0.190 0.000 1.073 480 V CA -0.324 62.098 62.300 0.203 0.000 1.098 480 V CB 0.946 32.850 31.823 0.135 0.000 1.000 480 V HN 0.638 nan 8.190 nan 0.000 0.484 481 M N 3.897 123.635 119.600 0.230 0.000 2.043 481 M HA 0.449 4.929 4.480 0.001 0.000 0.322 481 M C -0.237 176.193 176.300 0.218 0.000 0.962 481 M CA -0.425 55.003 55.300 0.213 0.000 0.927 481 M CB 1.504 34.254 32.600 0.250 0.000 1.466 481 M HN 0.671 nan 8.290 nan 0.000 0.412 482 K N 3.595 124.074 120.400 0.132 0.000 2.484 482 K HA 0.265 4.585 4.320 0.001 0.000 0.280 482 K C -0.840 175.841 176.600 0.135 0.000 1.013 482 K CA 0.515 56.838 56.287 0.061 0.000 1.029 482 K CB 0.228 32.733 32.500 0.009 0.000 0.902 482 K HN 0.503 nan 8.250 nan 0.000 0.481 483 F N -1.139 118.834 119.950 0.039 0.000 2.613 483 F HA 0.527 5.054 4.527 0.001 0.000 0.310 483 F C -0.618 175.202 175.800 0.034 0.000 1.085 483 F CA -1.083 56.931 58.000 0.024 0.000 0.945 483 F CB 1.312 40.322 39.000 0.016 0.000 1.298 483 F HN 0.396 nan 8.300 nan 0.000 0.455 484 S N 1.212 116.988 115.700 0.126 0.000 2.568 484 S HA 0.676 5.146 4.470 0.001 0.000 0.302 484 S C -0.685 174.021 174.600 0.176 0.000 1.082 484 S CA -0.203 58.036 58.200 0.066 0.000 1.009 484 S CB 1.770 65.057 63.200 0.145 0.000 1.069 484 S HN 1.396 nan 8.310 nan 0.000 0.500 485 V N 1.061 121.051 119.914 0.126 0.000 3.432 485 V HA 0.314 4.434 4.120 0.001 0.000 0.298 485 V C 0.044 176.156 176.094 0.030 0.000 1.464 485 V CA -0.089 62.281 62.300 0.118 0.000 1.046 485 V CB 0.114 32.040 31.823 0.172 0.000 0.887 485 V HN 0.909 nan 8.190 nan 0.000 0.441 486 S N 3.942 119.626 115.700 -0.027 0.000 2.443 486 S HA 0.295 4.766 4.470 0.001 0.000 0.284 486 S C -2.463 172.005 174.600 -0.221 0.000 1.206 486 S CA -0.375 57.700 58.200 -0.208 0.000 1.074 486 S CB 0.857 63.693 63.200 -0.606 0.000 0.963 486 S HN 0.394 nan 8.310 nan 0.000 0.501 487 P HA 0.100 nan 4.420 nan 0.000 0.273 487 P C 0.575 177.794 177.300 -0.135 0.000 1.319 487 P CA -0.207 62.856 63.100 -0.061 0.000 0.885 487 P CB 0.281 31.983 31.700 0.004 0.000 1.015 488 V N 1.934 121.741 119.914 -0.179 0.000 3.578 488 V HA 0.201 4.321 4.120 0.001 0.000 0.290 488 V C 0.345 176.380 176.094 -0.100 0.000 1.376 488 V CA -0.066 62.083 62.300 -0.252 0.000 1.083 488 V CB -0.116 31.423 31.823 -0.474 0.000 0.911 488 V HN 0.132 nan 8.190 nan 0.000 0.433 489 V N 0.802 120.718 119.914 0.003 0.000 2.888 489 V HA 0.777 4.897 4.120 0.001 0.000 0.309 489 V C -0.781 175.379 176.094 0.110 0.000 1.114 489 V CA -0.556 61.794 62.300 0.083 0.000 0.940 489 V CB 1.439 33.330 31.823 0.113 0.000 1.021 489 V HN 0.655 nan 8.190 nan 0.000 0.426 490 Q N 2.641 122.517 119.800 0.127 0.000 2.626 490 Q HA 0.956 5.297 4.340 0.001 0.000 0.300 490 Q C -1.327 174.727 176.000 0.090 0.000 0.988 490 Q CA -0.906 54.967 55.803 0.116 0.000 0.761 490 Q CB 2.931 31.759 28.738 0.151 0.000 1.494 490 Q HN 1.483 nan 8.270 nan 0.000 0.439 491 V N -4.909 115.035 119.914 0.050 0.000 3.221 491 V HA 0.957 5.078 4.120 0.001 0.000 0.299 491 V C -1.581 174.513 176.094 0.001 0.000 1.594 491 V CA -0.486 61.831 62.300 0.028 0.000 1.036 491 V CB 1.013 32.853 31.823 0.029 0.000 1.107 491 V HN 1.241 nan 8.190 nan 0.000 0.476 492 A N -0.026 122.804 122.820 0.017 0.000 2.384 492 A HA 0.968 5.288 4.320 0.001 0.000 0.312 492 A C -0.319 177.307 177.584 0.069 0.000 1.113 492 A CA -0.153 51.924 52.037 0.067 0.000 0.779 492 A CB 2.023 21.061 19.000 0.063 0.000 1.307 492 A HN 2.290 nan 8.150 nan 0.000 0.436 493 V N -0.859 119.113 119.914 0.095 0.000 2.570 493 V HA 0.348 4.469 4.120 0.001 0.000 0.271 493 V C -0.206 175.838 176.094 -0.082 0.000 1.005 493 V CA -0.681 61.608 62.300 -0.019 0.000 1.111 493 V CB -0.042 31.734 31.823 -0.077 0.000 1.259 493 V HN 0.744 nan 8.190 nan 0.000 0.571 494 E N 1.555 121.780 120.200 0.043 0.000 2.416 494 E HA 0.389 4.740 4.350 0.001 0.000 0.254 494 E C 0.375 176.965 176.600 -0.016 0.000 1.241 494 E CA 0.244 56.667 56.400 0.038 0.000 0.969 494 E CB 1.941 31.726 29.700 0.141 0.000 0.999 494 E HN 0.655 nan 8.360 nan 0.000 0.481 495 V N -0.198 119.708 119.914 -0.015 0.000 3.336 495 V HA 0.351 4.472 4.120 0.001 0.000 0.314 495 V C 1.146 177.243 176.094 0.004 0.000 1.088 495 V CA -0.554 61.738 62.300 -0.012 0.000 1.033 495 V CB 0.883 32.696 31.823 -0.016 0.000 1.181 495 V HN 0.573 nan 8.190 nan 0.000 0.449 496 K N -0.290 120.113 120.400 0.005 0.000 2.352 496 K HA 0.260 4.581 4.320 0.001 0.000 0.194 496 K C 0.562 177.167 176.600 0.008 0.000 1.038 496 K CA 0.121 56.413 56.287 0.008 0.000 1.023 496 K CB 0.163 32.668 32.500 0.009 0.000 0.840 496 K HN 0.766 nan 8.250 nan 0.000 0.519 497 N N -1.217 117.486 118.700 0.006 0.000 2.823 497 N HA 0.333 5.073 4.740 0.001 0.000 0.324 497 N C 0.264 175.777 175.510 0.005 0.000 1.336 497 N CA -0.092 52.961 53.050 0.005 0.000 0.861 497 N CB 1.433 39.922 38.487 0.004 0.000 1.157 497 N HN -0.110 nan 8.380 nan 0.000 0.585 498 A N -0.299 122.524 122.820 0.005 0.000 1.773 498 A HA 0.110 4.431 4.320 0.001 0.000 0.210 498 A C 1.400 178.987 177.584 0.004 0.000 1.775 498 A CA -0.068 51.973 52.037 0.006 0.000 1.157 498 A CB -0.455 18.550 19.000 0.009 0.000 1.119 498 A HN 0.620 nan 8.150 nan 0.000 0.501 499 N N 0.599 119.301 118.700 0.003 0.000 2.519 499 N HA -0.135 4.606 4.740 0.001 0.000 0.186 499 N C -0.216 175.294 175.510 -0.001 0.000 1.062 499 N CA 1.077 54.128 53.050 0.002 0.000 0.910 499 N CB -0.084 38.403 38.487 0.001 0.000 0.958 499 N HN 0.398 nan 8.380 nan 0.000 0.445 500 D N 0.391 120.789 120.400 -0.002 0.000 2.504 500 D HA 0.033 4.673 4.640 0.001 0.000 0.243 500 D C 1.475 177.768 176.300 -0.011 0.000 1.203 500 D CA -0.094 53.903 54.000 -0.005 0.000 0.847 500 D CB -0.028 40.769 40.800 -0.004 0.000 0.973 500 D HN 0.300 nan 8.370 nan 0.000 0.490 501 L N -0.244 120.974 121.223 -0.009 0.000 2.249 501 L HA 0.192 4.532 4.340 0.001 0.000 0.207 501 L C -0.949 175.911 176.870 -0.017 0.000 1.090 501 L CA 0.343 55.174 54.840 -0.016 0.000 0.802 501 L CB -0.442 41.615 42.059 -0.003 0.000 0.947 501 L HN -0.022 nan 8.230 nan 0.000 0.453 502 P HA -0.222 nan 4.420 nan 0.000 0.217 502 P C 0.784 178.077 177.300 -0.012 0.000 1.151 502 P CA 1.683 64.779 63.100 -0.008 0.000 0.849 502 P CB -0.062 31.636 31.700 -0.005 0.000 0.787 503 K N -1.405 118.986 120.400 -0.014 0.000 2.486 503 K HA 0.026 4.347 4.320 0.001 0.000 0.194 503 K C 1.681 178.268 176.600 -0.022 0.000 1.033 503 K CA 0.435 56.714 56.287 -0.014 0.000 1.004 503 K CB -0.410 32.085 32.500 -0.009 0.000 0.798 503 K HN 0.150 nan 8.250 nan 0.000 0.495 504 L N 0.596 121.796 121.223 -0.037 0.000 2.270 504 L HA -0.007 4.334 4.340 0.001 0.000 0.210 504 L C 1.695 178.520 176.870 -0.075 0.000 1.104 504 L CA 0.965 55.763 54.840 -0.070 0.000 0.804 504 L CB 0.290 42.282 42.059 -0.112 0.000 0.937 504 L HN -0.173 nan 8.230 nan 0.000 0.450 505 V N -0.860 119.028 119.914 -0.043 0.000 3.406 505 V HA -0.019 4.101 4.120 0.001 0.000 0.263 505 V C 2.250 178.338 176.094 -0.011 0.000 1.172 505 V CA 0.745 63.031 62.300 -0.022 0.000 1.140 505 V CB 0.004 31.826 31.823 -0.001 0.000 0.784 505 V HN 0.361 nan 8.190 nan 0.000 0.467 506 E N 1.409 121.601 120.200 -0.013 0.000 2.045 506 E HA 0.028 4.378 4.350 0.001 0.000 0.190 506 E C 2.322 178.924 176.600 0.003 0.000 0.968 506 E CA 1.274 57.671 56.400 -0.005 0.000 0.813 506 E CB -0.845 28.851 29.700 -0.007 0.000 0.780 506 E HN 0.369 nan 8.360 nan 0.000 0.455 507 G N 0.850 109.653 108.800 0.005 0.000 2.527 507 G HA2 -0.192 3.768 3.960 0.001 0.000 0.219 507 G HA3 -0.192 3.768 3.960 0.001 0.000 0.219 507 G C 1.465 176.390 174.900 0.041 0.000 1.117 507 G CA 0.653 45.774 45.100 0.035 0.000 0.759 507 G HN 0.219 nan 8.290 nan 0.000 0.556 508 L N -1.002 120.227 121.223 0.009 0.000 2.127 508 L HA 0.124 4.464 4.340 0.001 0.000 0.203 508 L C 2.363 179.251 176.870 0.031 0.000 1.080 508 L CA 0.904 55.749 54.840 0.009 0.000 0.768 508 L CB -0.085 41.966 42.059 -0.013 0.000 0.924 508 L HN 0.034 nan 8.230 nan 0.000 0.444 509 K N -0.414 120.002 120.400 0.026 0.000 2.404 509 K HA 0.089 4.410 4.320 0.001 0.000 0.194 509 K C 1.786 178.404 176.600 0.030 0.000 1.023 509 K CA 0.273 56.578 56.287 0.031 0.000 1.094 509 K CB 0.191 32.705 32.500 0.023 0.000 0.841 509 K HN 0.111 nan 8.250 nan 0.000 0.523 510 R N -0.730 119.789 120.500 0.032 0.000 2.146 510 R HA 0.129 4.469 4.340 0.001 0.000 0.206 510 R C 1.748 178.081 176.300 0.055 0.000 1.049 510 R CA 0.231 56.343 56.100 0.020 0.000 1.029 510 R CB -0.215 30.082 30.300 -0.005 0.000 0.949 510 R HN 0.038 nan 8.270 nan 0.000 0.471 511 L N 1.152 122.442 121.223 0.112 0.000 2.017 511 L HA -0.112 4.228 4.340 0.001 0.000 0.208 511 L C 1.832 178.781 176.870 0.131 0.000 1.073 511 L CA 1.901 56.857 54.840 0.193 0.000 0.745 511 L CB -0.466 41.684 42.059 0.152 0.000 0.894 511 L HN 0.005 nan 8.230 nan 0.000 0.432 512 S N -0.252 115.502 115.700 0.091 0.000 2.402 512 S HA -0.235 4.236 4.470 0.001 0.000 0.233 512 S C 1.848 176.498 174.600 0.084 0.000 1.030 512 S CA 1.743 59.991 58.200 0.081 0.000 1.003 512 S CB -0.436 62.804 63.200 0.067 0.000 0.813 512 S HN 0.522 nan 8.310 nan 0.000 0.477 513 K N 1.521 121.970 120.400 0.083 0.000 2.167 513 K HA 0.012 4.333 4.320 0.001 0.000 0.203 513 K C 2.495 179.201 176.600 0.176 0.000 1.052 513 K CA 1.329 57.673 56.287 0.095 0.000 0.956 513 K CB -0.228 32.306 32.500 0.057 0.000 0.735 513 K HN 0.497 nan 8.250 nan 0.000 0.451 514 S N 0.214 116.013 115.700 0.164 0.000 2.489 514 S HA -0.064 4.407 4.470 0.001 0.000 0.228 514 S C 0.438 175.268 174.600 0.383 0.000 0.995 514 S CA 0.435 58.773 58.200 0.230 0.000 0.934 514 S CB 0.067 63.342 63.200 0.125 0.000 0.771 514 S HN 0.119 nan 8.310 nan 0.000 0.522 515 D N 0.524 121.067 120.400 0.238 0.000 2.879 515 D HA 0.421 5.061 4.640 0.001 0.000 0.236 515 D C -2.631 173.694 176.300 0.042 0.000 1.171 515 D CA -2.051 52.042 54.000 0.155 0.000 0.868 515 D CB 2.384 43.283 40.800 0.165 0.000 1.598 515 D HN -0.174 nan 8.370 nan 0.000 0.497 516 P HA 0.138 nan 4.420 nan 0.000 0.222 516 P C 1.208 178.514 177.300 0.009 0.000 1.157 516 P CA 0.374 63.422 63.100 -0.087 0.000 0.816 516 P CB 0.456 32.030 31.700 -0.210 0.000 0.813 517 C N -1.389 117.947 119.300 0.060 0.000 2.485 517 C HA 0.142 4.603 4.460 0.001 0.000 0.277 517 C C 1.486 176.603 174.990 0.213 0.000 1.376 517 C CA -0.162 58.925 59.018 0.116 0.000 1.759 517 C CB -0.691 27.074 27.740 0.040 0.000 1.970 517 C HN 0.061 nan 8.230 nan 0.000 0.509 518 V N 2.027 122.083 119.914 0.237 0.000 2.686 518 V HA 0.442 4.563 4.120 0.001 0.000 0.295 518 V C -0.619 175.547 176.094 0.121 0.000 1.055 518 V CA 0.028 62.432 62.300 0.173 0.000 1.050 518 V CB 1.376 33.244 31.823 0.076 0.000 0.984 518 V HN 0.351 nan 8.190 nan 0.000 0.482 519 L N 6.394 127.693 121.223 0.128 0.000 2.404 519 L HA 0.656 4.996 4.340 0.001 0.000 0.272 519 L C -0.098 176.900 176.870 0.213 0.000 0.980 519 L CA 0.090 55.019 54.840 0.148 0.000 0.836 519 L CB 2.019 44.158 42.059 0.133 0.000 1.238 519 L HN 0.864 nan 8.230 nan 0.000 0.408 520 T N 1.887 116.554 114.554 0.188 0.000 2.824 520 T HA 0.804 5.154 4.350 0.001 0.000 0.280 520 T C -0.579 174.276 174.700 0.260 0.000 0.995 520 T CA -0.402 61.795 62.100 0.162 0.000 1.009 520 T CB 1.341 70.255 68.868 0.077 0.000 0.955 520 T HN 0.624 nan 8.240 nan 0.000 0.452 521 Y N 0.097 120.418 120.300 0.035 0.000 2.750 521 Y HA 0.749 5.299 4.550 0.001 0.000 0.335 521 Y C -1.704 174.217 175.900 0.035 0.000 1.252 521 Y CA -1.835 56.280 58.100 0.025 0.000 1.064 521 Y CB 1.316 39.782 38.460 0.010 0.000 1.321 521 Y HN 0.497 nan 8.280 nan 0.000 0.451 522 M N 2.932 122.568 119.600 0.060 0.000 2.253 522 M HA 0.433 4.913 4.480 0.001 0.000 0.314 522 M C -0.587 175.737 176.300 0.040 0.000 1.019 522 M CA -0.803 54.474 55.300 -0.038 0.000 0.932 522 M CB 1.737 34.337 32.600 0.000 0.000 1.606 522 M HN 0.869 nan 8.290 nan 0.000 0.430 523 S N 1.184 116.867 115.700 -0.029 0.000 2.632 523 S HA 0.341 4.812 4.470 0.001 0.000 0.271 523 S C 0.889 175.492 174.600 0.004 0.000 1.260 523 S CA -0.378 57.849 58.200 0.046 0.000 1.010 523 S CB 1.607 64.838 63.200 0.052 0.000 0.965 523 S HN 0.599 nan 8.310 nan 0.000 0.534 524 E N 1.813 122.013 120.200 -0.000 0.000 2.164 524 E HA -0.179 4.172 4.350 0.001 0.000 0.206 524 E C 1.941 178.534 176.600 -0.012 0.000 1.032 524 E CA 2.103 58.491 56.400 -0.020 0.000 0.832 524 E CB -0.745 28.943 29.700 -0.020 0.000 0.742 524 E HN 0.868 nan 8.360 nan 0.000 0.460 525 S N -0.807 114.896 115.700 0.005 0.000 2.805 525 S HA 0.102 4.573 4.470 0.001 0.000 0.230 525 S C 1.387 175.969 174.600 -0.031 0.000 0.968 525 S CA 0.645 58.852 58.200 0.011 0.000 0.976 525 S CB -0.708 62.529 63.200 0.062 0.000 0.787 525 S HN 0.420 nan 8.310 nan 0.000 0.533 526 G N 0.540 109.311 108.800 -0.049 0.000 2.203 526 G HA2 -0.241 3.719 3.960 0.001 0.000 0.263 526 G HA3 -0.241 3.719 3.960 0.001 0.000 0.263 526 G C -0.196 174.596 174.900 -0.179 0.000 1.012 526 G CA 0.250 45.299 45.100 -0.086 0.000 0.749 526 G HN 0.610 nan 8.290 nan 0.000 0.512 527 E N 0.382 120.476 120.200 -0.176 0.000 2.331 527 E HA 0.362 4.713 4.350 0.001 0.000 0.272 527 E C 0.156 176.574 176.600 -0.304 0.000 1.036 527 E CA -0.364 55.865 56.400 -0.285 0.000 0.864 527 E CB 0.485 30.098 29.700 -0.145 0.000 1.035 527 E HN 0.707 nan 8.360 nan 0.000 0.408 528 H N 0.872 119.873 119.070 -0.115 0.000 2.489 528 H HA 0.464 5.020 4.556 0.001 0.000 0.322 528 H C -0.408 174.784 175.328 -0.227 0.000 1.091 528 H CA -0.631 55.323 56.048 -0.157 0.000 1.291 528 H CB 0.396 30.100 29.762 -0.096 0.000 1.436 528 H HN 0.186 nan 8.280 nan 0.000 0.480 529 I N 2.153 122.559 120.570 -0.273 0.000 2.846 529 I HA 0.413 4.583 4.170 0.001 0.000 0.307 529 I C -0.518 175.496 176.117 -0.171 0.000 1.053 529 I CA -0.996 60.095 61.300 -0.349 0.000 1.050 529 I CB 2.306 39.773 38.000 -0.889 0.000 1.239 529 I HN 0.449 nan 8.210 nan 0.000 0.439 530 V N 3.533 123.414 119.914 -0.054 0.000 2.658 530 V HA 0.582 4.703 4.120 0.001 0.000 0.259 530 V C -0.108 176.025 176.094 0.064 0.000 0.933 530 V CA -0.632 61.677 62.300 0.016 0.000 0.871 530 V CB 1.080 32.891 31.823 -0.019 0.000 1.062 530 V HN 0.875 nan 8.190 nan 0.000 0.479 531 A N 2.477 125.384 122.820 0.144 0.000 2.354 531 A HA 0.907 5.227 4.320 0.001 0.000 0.269 531 A C 0.623 178.292 177.584 0.141 0.000 1.109 531 A CA 0.526 52.655 52.037 0.154 0.000 0.800 531 A CB 1.024 20.147 19.000 0.205 0.000 1.045 531 A HN 0.979 nan 8.150 nan 0.000 0.489 532 G N -0.495 108.401 108.800 0.159 0.000 3.015 532 G HA2 0.474 4.435 3.960 0.001 0.000 0.281 532 G HA3 0.474 4.435 3.960 0.001 0.000 0.281 532 G C 0.466 175.528 174.900 0.270 0.000 1.386 532 G CA 0.420 45.712 45.100 0.321 0.000 0.959 532 G HN 0.532 nan 8.290 nan 0.000 0.522 533 T N -0.643 114.095 114.554 0.306 0.000 2.896 533 T HA 0.349 4.700 4.350 0.001 0.000 0.263 533 T C 0.975 175.765 174.700 0.149 0.000 1.050 533 T CA 1.267 63.406 62.100 0.065 0.000 1.140 533 T CB -0.104 68.661 68.868 -0.170 0.000 0.877 533 T HN 1.124 nan 8.240 nan 0.000 0.457 534 G N -0.358 108.538 108.800 0.160 0.000 2.576 534 G HA2 0.447 4.408 3.960 0.001 0.000 0.290 534 G HA3 0.447 4.408 3.960 0.001 0.000 0.290 534 G C 0.140 175.063 174.900 0.038 0.000 1.442 534 G CA -0.209 44.956 45.100 0.108 0.000 0.792 534 G HN 0.010 nan 8.290 nan 0.000 0.491 535 E N -0.618 119.527 120.200 -0.092 0.000 2.119 535 E HA -0.351 3.999 4.350 0.001 0.000 0.221 535 E C 2.510 179.097 176.600 -0.021 0.000 1.062 535 E CA 3.039 59.380 56.400 -0.098 0.000 0.894 535 E CB -0.296 29.263 29.700 -0.234 0.000 0.785 535 E HN 0.539 nan 8.360 nan 0.000 0.472 536 L N -0.685 120.506 121.223 -0.053 0.000 1.989 536 L HA -0.130 4.211 4.340 0.001 0.000 0.211 536 L C 2.600 179.488 176.870 0.030 0.000 1.071 536 L CA 2.561 57.371 54.840 -0.050 0.000 0.749 536 L CB -1.608 40.368 42.059 -0.138 0.000 0.890 536 L HN 0.218 nan 8.230 nan 0.000 0.431 537 H N -0.189 118.869 119.070 -0.019 0.000 2.321 537 H HA -0.233 4.323 4.556 0.001 0.000 0.295 537 H C 1.979 177.314 175.328 0.012 0.000 1.102 537 H CA 2.519 58.580 56.048 0.021 0.000 1.266 537 H CB -0.339 29.443 29.762 0.033 0.000 1.363 537 H HN 0.352 nan 8.280 nan 0.000 0.492 538 L N 0.972 122.201 121.223 0.010 0.000 1.994 538 L HA -0.134 4.207 4.340 0.001 0.000 0.208 538 L C 2.133 178.956 176.870 -0.078 0.000 1.071 538 L CA 2.130 56.940 54.840 -0.051 0.000 0.745 538 L CB -0.875 41.208 42.059 0.040 0.000 0.892 538 L HN 0.451 nan 8.230 nan 0.000 0.431 539 E N -0.436 119.741 120.200 -0.040 0.000 2.070 539 E HA -0.266 4.084 4.350 0.001 0.000 0.197 539 E C 2.178 178.720 176.600 -0.097 0.000 1.004 539 E CA 1.583 57.950 56.400 -0.055 0.000 0.805 539 E CB -0.245 29.432 29.700 -0.038 0.000 0.744 539 E HN 0.422 nan 8.360 nan 0.000 0.451 540 I N 1.204 121.721 120.570 -0.088 0.000 2.099 540 I HA -0.297 3.874 4.170 0.001 0.000 0.239 540 I C 2.585 178.592 176.117 -0.184 0.000 1.066 540 I CA 1.073 62.316 61.300 -0.095 0.000 1.324 540 I CB -1.614 36.376 38.000 -0.018 0.000 1.037 540 I HN 0.268 nan 8.210 nan 0.000 0.401 541 C N 0.827 119.983 119.300 -0.240 0.000 2.403 541 C HA -0.159 4.301 4.460 0.001 0.000 0.282 541 C C 2.943 177.778 174.990 -0.259 0.000 1.297 541 C CA 0.495 59.339 59.018 -0.289 0.000 1.785 541 C CB -1.471 26.090 27.740 -0.298 0.000 1.963 541 C HN 0.463 nan 8.230 nan 0.000 0.507 542 L N -0.003 121.102 121.223 -0.197 0.000 2.023 542 L HA -0.169 4.171 4.340 0.001 0.000 0.205 542 L C 2.823 179.567 176.870 -0.210 0.000 1.073 542 L CA 1.511 56.251 54.840 -0.167 0.000 0.745 542 L CB -0.875 41.113 42.059 -0.119 0.000 0.900 542 L HN 0.377 nan 8.230 nan 0.000 0.435 543 Q N 0.300 119.945 119.800 -0.257 0.000 2.002 543 Q HA -0.248 4.092 4.340 0.001 0.000 0.204 543 Q C 1.863 177.673 176.000 -0.317 0.000 0.988 543 Q CA 2.087 57.644 55.803 -0.410 0.000 0.843 543 Q CB -0.273 28.197 28.738 -0.446 0.000 0.908 543 Q HN 0.435 nan 8.270 nan 0.000 0.420 544 D N 0.448 120.682 120.400 -0.277 0.000 2.172 544 D HA -0.193 4.447 4.640 0.001 0.000 0.196 544 D C 1.621 177.785 176.300 -0.228 0.000 0.999 544 D CA 0.816 54.645 54.000 -0.284 0.000 0.856 544 D CB -0.130 40.260 40.800 -0.683 0.000 0.934 544 D HN 0.046 nan 8.370 nan 0.000 0.453 545 L N 0.610 121.684 121.223 -0.249 0.000 1.994 545 L HA -0.135 4.205 4.340 0.001 0.000 0.208 545 L C 2.087 178.930 176.870 -0.044 0.000 1.071 545 L CA 1.834 56.604 54.840 -0.116 0.000 0.745 545 L CB -0.508 41.475 42.059 -0.126 0.000 0.892 545 L HN 0.048 nan 8.230 nan 0.000 0.431 546 E N -1.844 118.312 120.200 -0.074 0.000 2.051 546 E HA -0.183 4.167 4.350 0.001 0.000 0.189 546 E C 2.104 178.800 176.600 0.161 0.000 0.979 546 E CA 1.053 57.464 56.400 0.018 0.000 0.803 546 E CB -0.192 29.510 29.700 0.004 0.000 0.761 546 E HN 0.697 nan 8.360 nan 0.000 0.451 547 H N -0.543 118.521 119.070 -0.010 0.000 2.403 547 H HA -0.015 4.542 4.556 0.001 0.000 0.298 547 H C 0.947 176.287 175.328 0.020 0.000 1.059 547 H CA 0.809 56.858 56.048 0.003 0.000 1.363 547 H CB 0.407 30.169 29.762 -0.000 0.000 1.410 547 H HN 0.203 nan 8.280 nan 0.000 0.528 548 D N -0.864 119.641 120.400 0.175 0.000 3.061 548 D HA -0.006 4.634 4.640 0.001 0.000 0.243 548 D C 1.738 178.138 176.300 0.167 0.000 1.572 548 D CA -0.114 53.979 54.000 0.154 0.000 1.269 548 D CB -0.683 40.232 40.800 0.192 0.000 1.023 548 D HN 0.331 nan 8.370 nan 0.000 0.280 549 H N 1.154 120.222 119.070 -0.003 0.000 2.483 549 H HA -0.087 4.469 4.556 0.001 0.000 0.292 549 H C 0.405 175.723 175.328 -0.016 0.000 1.128 549 H CA 1.026 57.065 56.048 -0.015 0.000 1.197 549 H CB 0.188 29.936 29.762 -0.023 0.000 1.353 549 H HN 0.055 nan 8.280 nan 0.000 0.514 550 A N 0.155 123.045 122.820 0.117 0.000 2.318 550 A HA 0.463 4.783 4.320 0.001 0.000 0.317 550 A C 1.422 179.029 177.584 0.039 0.000 1.159 550 A CA 0.022 52.091 52.037 0.053 0.000 0.799 550 A CB 1.163 20.176 19.000 0.022 0.000 1.194 550 A HN 0.287 nan 8.150 nan 0.000 0.479 551 G N 0.848 109.661 108.800 0.021 0.000 2.689 551 G HA2 0.150 4.110 3.960 0.001 0.000 0.216 551 G HA3 0.150 4.110 3.960 0.001 0.000 0.216 551 G C 0.493 175.401 174.900 0.013 0.000 1.119 551 G CA 1.691 46.799 45.100 0.013 0.000 0.732 551 G HN 1.168 nan 8.290 nan 0.000 0.576 552 V N -1.742 118.183 119.914 0.018 0.000 3.285 552 V HA 0.404 4.524 4.120 0.001 0.000 0.293 552 V C -2.365 173.746 176.094 0.028 0.000 1.563 552 V CA -1.589 60.721 62.300 0.017 0.000 1.058 552 V CB 2.127 33.953 31.823 0.006 0.000 1.142 552 V HN -0.067 nan 8.190 nan 0.000 0.470 553 P HA 0.431 nan 4.420 nan 0.000 0.271 553 P C -1.242 176.072 177.300 0.023 0.000 1.244 553 P CA 0.164 63.290 63.100 0.042 0.000 0.793 553 P CB 0.367 32.085 31.700 0.030 0.000 0.984 554 L N -0.623 120.616 121.223 0.026 0.000 2.403 554 L HA 0.556 4.897 4.340 0.001 0.000 0.253 554 L C -0.218 176.652 176.870 -0.001 0.000 1.045 554 L CA -0.998 53.842 54.840 -0.001 0.000 0.845 554 L CB 2.126 44.172 42.059 -0.022 0.000 1.447 554 L HN 0.205 nan 8.230 nan 0.000 0.411 555 K N 1.803 122.198 120.400 -0.009 0.000 2.323 555 K HA 0.713 5.034 4.320 0.001 0.000 0.259 555 K C -1.454 175.143 176.600 -0.005 0.000 0.947 555 K CA -0.503 55.783 56.287 -0.002 0.000 0.819 555 K CB 1.616 34.120 32.500 0.007 0.000 1.109 555 K HN 0.542 nan 8.250 nan 0.000 0.429 556 I N 0.344 120.912 120.570 -0.004 0.000 2.740 556 I HA 0.538 4.709 4.170 0.001 0.000 0.303 556 I C -0.467 175.651 176.117 0.001 0.000 1.044 556 I CA -0.715 60.583 61.300 -0.005 0.000 1.064 556 I CB 2.179 40.171 38.000 -0.013 0.000 1.249 556 I HN 0.556 nan 8.210 nan 0.000 0.433 557 S N 2.416 118.118 115.700 0.003 0.000 2.566 557 S HA 0.770 5.241 4.470 0.001 0.000 0.298 557 S C -2.679 171.918 174.600 -0.005 0.000 1.083 557 S CA -1.435 56.764 58.200 -0.002 0.000 0.978 557 S CB 1.058 64.257 63.200 -0.002 0.000 1.073 557 S HN 0.592 nan 8.310 nan 0.000 0.491 558 P HA 0.114 nan 4.420 nan 0.000 0.269 558 P C -2.610 174.673 177.300 -0.028 0.000 1.185 558 P CA -0.298 62.777 63.100 -0.042 0.000 0.769 558 P CB -0.626 31.038 31.700 -0.060 0.000 0.809 559 P HA 0.159 nan 4.420 nan 0.000 0.282 559 P C -0.871 176.431 177.300 0.002 0.000 1.262 559 P CA 0.077 63.195 63.100 0.030 0.000 0.773 559 P CB 0.655 32.431 31.700 0.128 0.000 0.879 560 V N 4.422 124.390 119.914 0.090 0.000 2.667 560 V HA 0.365 4.485 4.120 0.001 0.000 0.308 560 V C 0.133 176.326 176.094 0.166 0.000 1.048 560 V CA -0.780 61.593 62.300 0.120 0.000 0.928 560 V CB 2.410 34.307 31.823 0.125 0.000 1.004 560 V HN 0.199 nan 8.190 nan 0.000 0.444 561 V N 2.744 122.759 119.914 0.169 0.000 2.472 561 V HA 0.645 4.765 4.120 0.001 0.000 0.290 561 V C 0.546 176.621 176.094 -0.032 0.000 1.037 561 V CA -0.637 61.682 62.300 0.032 0.000 0.908 561 V CB 1.660 33.422 31.823 -0.101 0.000 0.985 561 V HN 1.020 nan 8.190 nan 0.000 0.454 562 A N 4.739 127.540 122.820 -0.033 0.000 2.409 562 A HA 0.591 4.911 4.320 0.001 0.000 0.267 562 A C -0.745 176.849 177.584 0.017 0.000 1.127 562 A CA 0.099 52.171 52.037 0.058 0.000 0.795 562 A CB -0.173 18.881 19.000 0.089 0.000 1.061 562 A HN 0.722 nan 8.150 nan 0.000 0.502 563 Y N 1.170 121.588 120.300 0.197 0.000 2.679 563 Y HA 0.748 5.299 4.550 0.001 0.000 0.331 563 Y C 0.647 176.537 175.900 -0.017 0.000 1.183 563 Y CA -0.475 57.767 58.100 0.238 0.000 1.290 563 Y CB 1.203 39.873 38.460 0.351 0.000 1.489 563 Y HN 0.637 nan 8.280 nan 0.000 0.583 564 R N 0.343 120.924 120.500 0.135 0.000 2.621 564 R HA 0.329 4.670 4.340 0.001 0.000 0.284 564 R C -1.725 174.597 176.300 0.037 0.000 0.998 564 R CA -0.875 55.133 56.100 -0.153 0.000 0.895 564 R CB 1.561 31.530 30.300 -0.551 0.000 1.195 564 R HN 0.582 nan 8.270 nan 0.000 0.450 565 E N 0.897 121.104 120.200 0.012 0.000 2.174 565 E HA 0.444 4.795 4.350 0.001 0.000 0.282 565 E C -0.571 176.199 176.600 0.284 0.000 0.992 565 E CA -0.336 56.168 56.400 0.173 0.000 0.803 565 E CB 2.023 31.738 29.700 0.025 0.000 1.090 565 E HN 0.393 nan 8.360 nan 0.000 0.396 566 T N 0.984 115.734 114.554 0.327 0.000 2.812 566 T HA 0.540 4.890 4.350 0.001 0.000 0.294 566 T C -1.403 173.213 174.700 -0.140 0.000 1.159 566 T CA -0.682 61.510 62.100 0.153 0.000 1.008 566 T CB 1.476 70.378 68.868 0.057 0.000 1.289 566 T HN 0.268 nan 8.240 nan 0.000 0.514 567 V N 0.787 120.552 119.914 -0.248 0.000 2.715 567 V HA 0.804 4.925 4.120 0.001 0.000 0.310 567 V C 0.351 176.348 176.094 -0.160 0.000 1.054 567 V CA -0.577 61.514 62.300 -0.348 0.000 0.928 567 V CB 1.740 33.296 31.823 -0.444 0.000 1.007 567 V HN 0.914 nan 8.190 nan 0.000 0.437 568 E N 1.773 121.888 120.200 -0.142 0.000 2.473 568 E HA 0.296 4.647 4.350 0.001 0.000 0.204 568 E C 0.576 177.130 176.600 -0.077 0.000 0.994 568 E CA 0.837 57.189 56.400 -0.080 0.000 0.945 568 E CB 0.515 30.179 29.700 -0.060 0.000 0.990 568 E HN 1.122 nan 8.360 nan 0.000 0.493 569 S N -1.917 113.720 115.700 -0.105 0.000 2.757 569 S HA 0.340 4.811 4.470 0.001 0.000 0.285 569 S C -0.627 173.908 174.600 -0.107 0.000 1.196 569 S CA -1.108 57.036 58.200 -0.092 0.000 0.856 569 S CB 1.192 64.341 63.200 -0.084 0.000 1.212 569 S HN 0.066 nan 8.310 nan 0.000 0.516 570 E N 0.524 120.666 120.200 -0.097 0.000 2.349 570 E HA 0.472 4.822 4.350 0.001 0.000 0.262 570 E C -0.716 175.817 176.600 -0.112 0.000 1.088 570 E CA -0.553 55.787 56.400 -0.099 0.000 0.899 570 E CB 0.914 30.560 29.700 -0.089 0.000 1.044 570 E HN 0.573 nan 8.360 nan 0.000 0.420 571 S N 1.905 117.539 115.700 -0.110 0.000 2.525 571 S HA -0.040 4.431 4.470 0.001 0.000 0.285 571 S C 1.158 175.666 174.600 -0.153 0.000 1.283 571 S CA -0.152 57.969 58.200 -0.133 0.000 1.072 571 S CB 0.987 64.126 63.200 -0.102 0.000 0.867 571 S HN 0.577 nan 8.310 nan 0.000 0.492 572 S N 2.603 118.183 115.700 -0.200 0.000 2.393 572 S HA -0.232 4.238 4.470 0.001 0.000 0.234 572 S C 0.824 175.312 174.600 -0.187 0.000 1.064 572 S CA 1.696 59.774 58.200 -0.203 0.000 1.088 572 S CB -0.394 62.637 63.200 -0.282 0.000 0.939 572 S HN 0.937 nan 8.310 nan 0.000 0.448 573 Q N -1.092 118.574 119.800 -0.223 0.000 2.472 573 Q HA 0.455 4.796 4.340 0.001 0.000 0.281 573 Q C -1.439 174.502 176.000 -0.098 0.000 0.997 573 Q CA -0.865 54.846 55.803 -0.153 0.000 0.828 573 Q CB 0.803 29.429 28.738 -0.187 0.000 1.443 573 Q HN -0.053 nan 8.270 nan 0.000 0.390 574 T N 1.460 116.015 114.554 0.001 0.000 2.923 574 T HA 0.261 4.611 4.350 0.001 0.000 0.304 574 T C -0.005 174.820 174.700 0.209 0.000 1.044 574 T CA 0.812 62.968 62.100 0.092 0.000 1.141 574 T CB 0.206 69.163 68.868 0.149 0.000 1.023 574 T HN 0.613 nan 8.240 nan 0.000 0.533 575 A N 3.151 126.087 122.820 0.194 0.000 2.290 575 A HA 0.691 5.012 4.320 0.001 0.000 0.310 575 A C -0.491 177.148 177.584 0.092 0.000 1.202 575 A CA -0.705 51.497 52.037 0.274 0.000 0.837 575 A CB 0.416 19.531 19.000 0.191 0.000 1.139 575 A HN 0.742 nan 8.150 nan 0.000 0.509 576 L N 1.879 123.006 121.223 -0.161 0.000 2.422 576 L HA 0.875 5.215 4.340 0.001 0.000 0.264 576 L C -0.577 175.932 176.870 -0.602 0.000 0.984 576 L CA 0.184 54.694 54.840 -0.550 0.000 0.819 576 L CB 2.331 43.988 42.059 -0.669 0.000 1.330 576 L HN 0.549 nan 8.230 nan 0.000 0.410 577 S N 2.518 117.956 115.700 -0.437 0.000 2.556 577 S HA 0.681 5.151 4.470 0.001 0.000 0.271 577 S C -1.353 173.105 174.600 -0.236 0.000 1.135 577 S CA -0.951 57.082 58.200 -0.278 0.000 0.858 577 S CB 2.008 65.121 63.200 -0.146 0.000 1.114 577 S HN 0.612 nan 8.310 nan 0.000 0.468 578 K N 1.147 121.452 120.400 -0.159 0.000 2.328 578 K HA 0.620 4.941 4.320 0.001 0.000 0.246 578 K C -0.126 176.435 176.600 -0.065 0.000 0.955 578 K CA -0.731 55.492 56.287 -0.106 0.000 0.817 578 K CB 1.856 34.302 32.500 -0.090 0.000 1.208 578 K HN 0.761 nan 8.250 nan 0.000 0.432 579 S N 0.755 116.435 115.700 -0.034 0.000 2.608 579 S HA 0.153 4.624 4.470 0.001 0.000 0.261 579 S C -1.957 172.632 174.600 -0.019 0.000 1.314 579 S CA -0.967 57.223 58.200 -0.015 0.000 0.992 579 S CB 0.672 63.880 63.200 0.014 0.000 0.935 579 S HN 0.328 nan 8.310 nan 0.000 0.564 580 P HA -0.075 nan 4.420 nan 0.000 0.218 580 P C 1.140 178.423 177.300 -0.029 0.000 1.148 580 P CA 0.960 64.049 63.100 -0.018 0.000 0.822 580 P CB -0.108 31.587 31.700 -0.008 0.000 0.784 581 N N 0.093 118.787 118.700 -0.010 0.000 2.060 581 N HA -0.184 4.556 4.740 0.001 0.000 0.195 581 N C 0.620 176.049 175.510 -0.135 0.000 1.028 581 N CA 1.282 54.321 53.050 -0.018 0.000 0.861 581 N CB -0.390 38.158 38.487 0.102 0.000 1.029 581 N HN 0.160 nan 8.380 nan 0.000 0.428 582 K N -1.741 118.608 120.400 -0.085 0.000 3.399 582 K HA -0.157 4.164 4.320 0.001 0.000 0.298 582 K C -0.332 176.193 176.600 -0.126 0.000 1.326 582 K CA 0.428 56.644 56.287 -0.119 0.000 0.874 582 K CB -1.669 30.732 32.500 -0.165 0.000 1.403 582 K HN 0.405 nan 8.250 nan 0.000 0.492 583 H N -0.220 118.876 119.070 0.044 0.000 2.874 583 H HA 0.228 4.785 4.556 0.001 0.000 0.264 583 H C -0.014 175.353 175.328 0.065 0.000 1.007 583 H CA 0.207 56.303 56.048 0.079 0.000 1.207 583 H CB 0.611 30.490 29.762 0.196 0.000 1.487 583 H HN 0.315 nan 8.280 nan 0.000 0.505 584 N N 0.505 119.296 118.700 0.153 0.000 2.238 584 N HA 0.526 5.266 4.740 0.001 0.000 0.302 584 N C -0.779 174.742 175.510 0.018 0.000 1.072 584 N CA -0.600 52.504 53.050 0.090 0.000 0.792 584 N CB 2.417 40.951 38.487 0.079 0.000 1.425 584 N HN -0.062 nan 8.380 nan 0.000 0.478 585 R N 1.073 121.574 120.500 0.000 0.000 2.795 585 R HA 0.642 4.983 4.340 0.001 0.000 0.275 585 R C -1.128 175.101 176.300 -0.118 0.000 0.981 585 R CA -0.724 55.303 56.100 -0.121 0.000 0.917 585 R CB 2.192 32.394 30.300 -0.163 0.000 1.202 585 R HN 0.416 nan 8.270 nan 0.000 0.469 586 I N 2.245 122.657 120.570 -0.263 0.000 2.512 586 I HA 0.319 4.489 4.170 0.001 0.000 0.287 586 I C -1.321 174.620 176.117 -0.293 0.000 1.069 586 I CA -0.730 60.476 61.300 -0.156 0.000 1.056 586 I CB 1.658 39.605 38.000 -0.089 0.000 1.229 586 I HN 0.496 nan 8.210 nan 0.000 0.429 587 Y N 7.166 127.437 120.300 -0.048 0.000 2.331 587 Y HA 0.688 5.239 4.550 0.001 0.000 0.338 587 Y C -0.211 175.659 175.900 -0.050 0.000 0.992 587 Y CA -0.877 57.198 58.100 -0.041 0.000 1.121 587 Y CB 1.647 40.086 38.460 -0.035 0.000 1.184 587 Y HN 0.390 nan 8.280 nan 0.000 0.469 588 L N 0.316 121.597 121.223 0.097 0.000 2.720 588 L HA 0.775 5.115 4.340 0.001 0.000 0.261 588 L C -1.595 175.295 176.870 0.032 0.000 1.046 588 L CA -1.406 53.452 54.840 0.031 0.000 0.886 588 L CB 2.236 44.289 42.059 -0.010 0.000 1.493 588 L HN 0.448 nan 8.230 nan 0.000 0.407 589 K N 0.215 120.612 120.400 -0.005 0.000 2.477 589 K HA 0.951 5.272 4.320 0.001 0.000 0.255 589 K C -1.671 174.915 176.600 -0.023 0.000 0.952 589 K CA -0.539 55.740 56.287 -0.014 0.000 0.826 589 K CB 2.453 34.933 32.500 -0.035 0.000 1.331 589 K HN 1.121 nan 8.250 nan 0.000 0.437 590 A N 2.179 124.985 122.820 -0.023 0.000 2.386 590 A HA 0.593 4.913 4.320 0.001 0.000 0.311 590 A C -1.400 176.150 177.584 -0.056 0.000 1.068 590 A CA -0.621 51.406 52.037 -0.016 0.000 0.743 590 A CB 1.085 20.103 19.000 0.030 0.000 1.258 590 A HN 0.807 nan 8.150 nan 0.000 0.429 591 E N 1.477 121.647 120.200 -0.049 0.000 2.393 591 E HA 0.668 5.018 4.350 0.001 0.000 0.273 591 E C -3.102 173.477 176.600 -0.035 0.000 0.918 591 E CA -2.315 54.046 56.400 -0.065 0.000 0.773 591 E CB 1.819 31.470 29.700 -0.081 0.000 1.275 591 E HN 0.263 nan 8.360 nan 0.000 0.451 592 P HA 0.145 nan 4.420 nan 0.000 0.271 592 P C -0.678 176.648 177.300 0.042 0.000 1.218 592 P CA 0.050 63.147 63.100 -0.005 0.000 0.780 592 P CB 0.508 32.196 31.700 -0.019 0.000 0.901 593 I N 2.144 122.763 120.570 0.082 0.000 2.441 593 I HA 0.218 4.388 4.170 0.001 0.000 0.295 593 I C 0.297 176.486 176.117 0.120 0.000 0.994 593 I CA -0.810 60.577 61.300 0.145 0.000 1.144 593 I CB 1.276 39.370 38.000 0.158 0.000 1.314 593 I HN 0.168 nan 8.210 nan 0.000 0.445 594 D N 5.796 126.287 120.400 0.153 0.000 2.424 594 D HA -0.022 4.618 4.640 0.001 0.000 0.244 594 D C 1.054 177.415 176.300 0.102 0.000 1.134 594 D CA -0.015 54.059 54.000 0.124 0.000 0.881 594 D CB 1.410 42.305 40.800 0.159 0.000 1.191 594 D HN 0.483 nan 8.370 nan 0.000 0.445 595 E N 1.694 121.948 120.200 0.089 0.000 2.114 595 E HA -0.227 4.124 4.350 0.001 0.000 0.199 595 E C 1.500 178.147 176.600 0.078 0.000 1.008 595 E CA 1.209 57.660 56.400 0.086 0.000 0.810 595 E CB 0.235 29.984 29.700 0.082 0.000 0.739 595 E HN 0.419 nan 8.360 nan 0.000 0.456 596 E N 0.008 120.265 120.200 0.094 0.000 2.070 596 E HA -0.146 4.204 4.350 0.001 0.000 0.197 596 E C 2.304 178.901 176.600 -0.004 0.000 1.004 596 E CA 1.118 57.585 56.400 0.111 0.000 0.805 596 E CB -0.402 29.428 29.700 0.217 0.000 0.744 596 E HN 0.180 nan 8.360 nan 0.000 0.451 597 V N 0.755 120.632 119.914 -0.061 0.000 2.358 597 V HA -0.217 3.904 4.120 0.001 0.000 0.246 597 V C 2.414 178.418 176.094 -0.150 0.000 1.047 597 V CA 1.773 63.907 62.300 -0.276 0.000 1.035 597 V CB -0.830 30.899 31.823 -0.156 0.000 0.658 597 V HN 0.114 nan 8.190 nan 0.000 0.452 598 S N 0.630 116.317 115.700 -0.021 0.000 2.365 598 S HA -0.202 4.268 4.470 0.001 0.000 0.221 598 S C 1.947 176.562 174.600 0.025 0.000 1.037 598 S CA 1.816 60.032 58.200 0.026 0.000 1.060 598 S CB -0.537 62.701 63.200 0.062 0.000 0.974 598 S HN 0.352 nan 8.310 nan 0.000 0.427 599 L N 1.723 122.970 121.223 0.040 0.000 2.021 599 L HA -0.169 4.171 4.340 0.001 0.000 0.215 599 L C 2.667 179.542 176.870 0.009 0.000 1.074 599 L CA 1.953 56.824 54.840 0.052 0.000 0.760 599 L CB -1.558 40.538 42.059 0.062 0.000 0.889 599 L HN 0.347 nan 8.230 nan 0.000 0.433 600 A N -0.730 122.052 122.820 -0.063 0.000 1.940 600 A HA -0.209 4.112 4.320 0.001 0.000 0.219 600 A C 2.338 179.872 177.584 -0.083 0.000 1.176 600 A CA 1.992 53.960 52.037 -0.116 0.000 0.631 600 A CB -0.701 18.052 19.000 -0.412 0.000 0.814 600 A HN 0.435 nan 8.150 nan 0.000 0.446 601 I N -0.951 119.581 120.570 -0.064 0.000 2.286 601 I HA -0.204 3.967 4.170 0.001 0.000 0.245 601 I C 2.402 178.513 176.117 -0.010 0.000 1.104 601 I CA 1.424 62.718 61.300 -0.011 0.000 1.397 601 I CB -0.474 37.583 38.000 0.096 0.000 1.072 601 I HN 0.389 nan 8.210 nan 0.000 0.417 602 E N 0.832 121.047 120.200 0.026 0.000 2.204 602 E HA -0.135 4.216 4.350 0.001 0.000 0.194 602 E C 0.691 177.312 176.600 0.035 0.000 0.989 602 E CA 0.699 57.129 56.400 0.050 0.000 0.824 602 E CB 0.015 29.778 29.700 0.106 0.000 0.756 602 E HN 0.414 nan 8.360 nan 0.000 0.477 603 N N -0.240 118.473 118.700 0.021 0.000 2.376 603 N HA 0.077 4.817 4.740 0.001 0.000 0.249 603 N C 0.550 176.061 175.510 0.002 0.000 1.140 603 N CA 0.629 53.690 53.050 0.017 0.000 0.870 603 N CB 1.106 39.608 38.487 0.025 0.000 1.124 603 N HN 0.218 nan 8.380 nan 0.000 0.505 604 G N 0.876 109.666 108.800 -0.017 0.000 2.238 604 G HA2 -0.347 3.614 3.960 0.001 0.000 0.270 604 G HA3 -0.347 3.614 3.960 0.001 0.000 0.270 604 G C 1.200 176.085 174.900 -0.025 0.000 0.977 604 G CA 0.593 45.675 45.100 -0.030 0.000 0.639 604 G HN 0.348 nan 8.290 nan 0.000 0.544 605 I N 0.948 121.511 120.570 -0.010 0.000 2.076 605 I HA -0.051 4.119 4.170 0.001 0.000 0.237 605 I C 1.779 177.893 176.117 -0.004 0.000 1.059 605 I CA 1.046 62.355 61.300 0.014 0.000 1.317 605 I CB -1.131 36.901 38.000 0.053 0.000 1.037 605 I HN 0.126 nan 8.210 nan 0.000 0.398 606 I N 3.071 123.614 120.570 -0.044 0.000 2.347 606 I HA 0.105 4.275 4.170 0.001 0.000 0.294 606 I C 0.288 176.364 176.117 -0.068 0.000 1.090 606 I CA 0.129 61.412 61.300 -0.028 0.000 1.314 606 I CB -0.554 37.419 38.000 -0.046 0.000 1.423 606 I HN 0.262 nan 8.210 nan 0.000 0.503 607 N N 8.767 127.424 118.700 -0.070 0.000 2.321 607 N HA 0.363 5.103 4.740 0.001 0.000 0.299 607 N C -2.136 173.223 175.510 -0.251 0.000 1.048 607 N CA -1.795 51.136 53.050 -0.199 0.000 0.836 607 N CB 3.033 41.461 38.487 -0.099 0.000 1.269 607 N HN 0.089 nan 8.380 nan 0.000 0.486 608 P HA 0.001 nan 4.420 nan 0.000 0.218 608 P C 0.504 177.777 177.300 -0.045 0.000 1.148 608 P CA 1.364 64.223 63.100 -0.401 0.000 0.822 608 P CB 0.374 31.758 31.700 -0.527 0.000 0.784 609 R N -1.386 119.078 120.500 -0.060 0.000 2.297 609 R HA 0.080 4.420 4.340 0.001 0.000 0.197 609 R C 0.563 176.885 176.300 0.037 0.000 0.943 609 R CA 0.051 56.154 56.100 0.006 0.000 1.038 609 R CB -0.382 29.915 30.300 -0.005 0.000 0.957 609 R HN 0.265 nan 8.270 nan 0.000 0.484 610 D N 1.309 121.732 120.400 0.038 0.000 0.000 610 D HA -0.078 4.562 4.640 0.001 0.000 0.000 610 D C -0.221 176.135 176.300 0.093 0.000 0.000 610 D CA 0.266 54.299 54.000 0.054 0.000 0.000 610 D CB 0.273 41.103 40.800 0.049 0.000 0.000 610 D HN -0.025 nan 8.370 nan 0.000 0.000 611 D N -0.901 119.540 120.400 0.069 0.000 2.317 611 D HA 0.045 4.686 4.640 0.001 0.000 0.252 611 D C 1.248 177.595 176.300 0.079 0.000 1.174 611 D CA -0.483 53.559 54.000 0.072 0.000 0.866 611 D CB 0.123 40.913 40.800 -0.016 0.000 1.127 611 D HN 0.307 nan 8.370 nan 0.000 0.467 612 F N 3.826 123.812 119.950 0.060 0.000 2.111 612 F HA -0.245 4.282 4.527 0.001 0.000 0.300 612 F C 1.701 177.538 175.800 0.062 0.000 1.088 612 F CA 1.033 59.076 58.000 0.072 0.000 1.243 612 F CB -0.456 38.589 39.000 0.076 0.000 0.996 612 F HN 0.234 nan 8.300 nan 0.000 0.483 613 K N 1.069 120.947 120.400 -0.871 0.000 2.009 613 K HA -0.130 4.191 4.320 0.001 0.000 0.210 613 K C 2.505 178.970 176.600 -0.225 0.000 1.049 613 K CA 1.491 57.392 56.287 -0.644 0.000 0.929 613 K CB -0.803 31.275 32.500 -0.704 0.000 0.714 613 K HN 0.468 nan 8.250 nan 0.000 0.440 614 A N 1.573 124.300 122.820 -0.156 0.000 1.898 614 A HA -0.165 4.155 4.320 0.001 0.000 0.216 614 A C 2.166 179.743 177.584 -0.012 0.000 1.181 614 A CA 1.345 53.345 52.037 -0.063 0.000 0.620 614 A CB -0.451 18.523 19.000 -0.043 0.000 0.819 614 A HN 0.263 nan 8.150 nan 0.000 0.442 615 R N -0.261 120.246 120.500 0.013 0.000 2.096 615 R HA -0.111 4.230 4.340 0.001 0.000 0.235 615 R C 2.247 178.574 176.300 0.046 0.000 1.127 615 R CA 1.442 57.572 56.100 0.049 0.000 0.968 615 R CB -0.397 29.962 30.300 0.098 0.000 0.861 615 R HN 0.435 nan 8.270 nan 0.000 0.440 616 A N 1.109 123.959 122.820 0.050 0.000 1.858 616 A HA -0.199 4.122 4.320 0.001 0.000 0.216 616 A C 2.167 179.793 177.584 0.070 0.000 1.190 616 A CA 1.556 53.638 52.037 0.075 0.000 0.617 616 A CB -0.587 18.467 19.000 0.091 0.000 0.827 616 A HN 0.280 nan 8.150 nan 0.000 0.443 617 R N 0.102 120.622 120.500 0.034 0.000 2.113 617 R HA -0.152 4.189 4.340 0.001 0.000 0.244 617 R C 1.863 178.194 176.300 0.052 0.000 1.142 617 R CA 1.925 58.044 56.100 0.032 0.000 0.953 617 R CB -0.668 29.632 30.300 0.001 0.000 0.860 617 R HN 0.553 nan 8.270 nan 0.000 0.438 618 I N -0.009 120.596 120.570 0.060 0.000 2.099 618 I HA -0.310 3.860 4.170 0.001 0.000 0.239 618 I C 2.337 178.559 176.117 0.175 0.000 1.066 618 I CA 1.698 63.055 61.300 0.095 0.000 1.324 618 I CB -0.941 37.128 38.000 0.116 0.000 1.037 618 I HN 0.288 nan 8.210 nan 0.000 0.401 619 M N 0.219 119.923 119.600 0.173 0.000 2.159 619 M HA -0.187 4.293 4.480 0.001 0.000 0.263 619 M C 2.443 178.909 176.300 0.275 0.000 1.063 619 M CA 1.948 57.370 55.300 0.203 0.000 1.110 619 M CB -0.367 32.146 32.600 -0.146 0.000 1.374 619 M HN 0.301 nan 8.290 nan 0.000 0.411 620 A N 0.624 123.570 122.820 0.211 0.000 1.841 620 A HA -0.174 4.146 4.320 0.001 0.000 0.214 620 A C 1.632 179.292 177.584 0.127 0.000 1.195 620 A CA 2.042 54.199 52.037 0.201 0.000 0.611 620 A CB -0.767 18.318 19.000 0.142 0.000 0.835 620 A HN 0.364 nan 8.150 nan 0.000 0.443 621 D N 0.542 120.982 120.400 0.066 0.000 2.088 621 D HA -0.113 4.528 4.640 0.001 0.000 0.196 621 D C 1.348 177.609 176.300 -0.065 0.000 0.983 621 D CA 1.565 55.567 54.000 0.004 0.000 0.846 621 D CB -0.600 40.192 40.800 -0.013 0.000 0.992 621 D HN 0.394 nan 8.370 nan 0.000 0.448 622 D N -0.950 119.347 120.400 -0.172 0.000 2.312 622 D HA -0.104 4.537 4.640 0.001 0.000 0.211 622 D C 0.933 176.781 176.300 -0.754 0.000 0.964 622 D CA 0.749 54.459 54.000 -0.483 0.000 0.877 622 D CB -0.022 40.375 40.800 -0.671 0.000 0.924 622 D HN 0.383 nan 8.370 nan 0.000 0.515 623 Y N -0.602 119.744 120.300 0.077 0.000 2.588 623 Y HA 0.354 4.904 4.550 0.001 0.000 0.247 623 Y C 1.354 177.394 175.900 0.233 0.000 1.157 623 Y CA -0.442 57.736 58.100 0.129 0.000 1.215 623 Y CB 0.634 39.140 38.460 0.077 0.000 1.245 623 Y HN -0.093 nan 8.280 nan 0.000 0.534 624 G N 0.432 109.383 108.800 0.251 0.000 2.350 624 G HA2 -0.303 3.657 3.960 0.001 0.000 0.298 624 G HA3 -0.303 3.657 3.960 0.001 0.000 0.298 624 G C -0.596 174.476 174.900 0.287 0.000 1.037 624 G CA -0.102 45.126 45.100 0.213 0.000 1.074 624 G HN 0.317 nan 8.290 nan 0.000 0.511 625 W N -0.248 121.098 121.300 0.077 0.000 2.706 625 W HA 0.557 5.218 4.660 0.001 0.000 0.346 625 W C -0.188 176.356 176.519 0.042 0.000 1.071 625 W CA -0.878 56.504 57.345 0.062 0.000 1.206 625 W CB 1.298 30.808 29.460 0.083 0.000 1.413 625 W HN 0.134 nan 8.180 nan 0.000 0.542 626 D N 1.898 122.354 120.400 0.094 0.000 2.358 626 D HA -0.016 4.625 4.640 0.001 0.000 0.258 626 D C 1.274 177.676 176.300 0.169 0.000 1.223 626 D CA 0.241 54.289 54.000 0.079 0.000 0.886 626 D CB 1.651 42.443 40.800 -0.014 0.000 1.120 626 D HN 0.220 nan 8.370 nan 0.000 0.482 627 V N 3.717 123.720 119.914 0.148 0.000 2.527 627 V HA -0.309 3.811 4.120 0.001 0.000 0.255 627 V C 2.257 178.442 176.094 0.153 0.000 1.081 627 V CA 2.821 65.213 62.300 0.154 0.000 1.092 627 V CB -0.483 31.401 31.823 0.101 0.000 0.673 627 V HN 0.820 nan 8.190 nan 0.000 0.470 628 T N -2.771 111.851 114.554 0.114 0.000 2.643 628 T HA -0.218 4.133 4.350 0.001 0.000 0.264 628 T C 1.698 176.468 174.700 0.117 0.000 1.045 628 T CA 1.561 63.719 62.100 0.097 0.000 1.155 628 T CB -0.664 68.234 68.868 0.050 0.000 0.863 628 T HN 0.506 nan 8.240 nan 0.000 0.420 629 D N 2.203 122.666 120.400 0.105 0.000 2.092 629 D HA -0.054 4.587 4.640 0.001 0.000 0.193 629 D C 2.576 179.041 176.300 0.276 0.000 0.994 629 D CA 1.709 55.781 54.000 0.120 0.000 0.828 629 D CB -0.843 39.953 40.800 -0.006 0.000 0.963 629 D HN 0.584 nan 8.370 nan 0.000 0.450 630 A N 1.000 124.071 122.820 0.418 0.000 1.986 630 A HA -0.207 4.114 4.320 0.001 0.000 0.220 630 A C 2.109 179.843 177.584 0.250 0.000 1.171 630 A CA 1.355 53.609 52.037 0.363 0.000 0.640 630 A CB -0.511 18.680 19.000 0.317 0.000 0.811 630 A HN 0.170 nan 8.150 nan 0.000 0.451 631 R N -0.762 119.894 120.500 0.260 0.000 2.307 631 R HA 0.040 4.380 4.340 0.001 0.000 0.199 631 R C 0.446 176.892 176.300 0.244 0.000 1.000 631 R CA 0.593 56.903 56.100 0.350 0.000 1.023 631 R CB 0.084 30.605 30.300 0.369 0.000 0.908 631 R HN 0.196 nan 8.270 nan 0.000 0.473 632 K N 0.915 121.421 120.400 0.177 0.000 2.570 632 K HA 0.229 4.549 4.320 0.001 0.000 0.210 632 K C -0.009 176.672 176.600 0.135 0.000 1.048 632 K CA -0.005 56.358 56.287 0.126 0.000 1.167 632 K CB 0.402 32.928 32.500 0.044 0.000 0.892 632 K HN 0.155 nan 8.250 nan 0.000 0.480 633 I N 0.519 121.179 120.570 0.149 0.000 2.496 633 I HA -0.051 4.120 4.170 0.001 0.000 0.285 633 I C 0.807 177.063 176.117 0.232 0.000 1.080 633 I CA -0.217 61.137 61.300 0.091 0.000 1.404 633 I CB 0.552 38.534 38.000 -0.030 0.000 1.403 633 I HN 0.147 nan 8.210 nan 0.000 0.539 634 W N 5.978 127.214 121.300 -0.106 0.000 2.640 634 W HA 0.156 4.816 4.660 0.001 0.000 0.271 634 W C 0.628 177.129 176.519 -0.030 0.000 1.218 634 W CA -0.246 57.055 57.345 -0.074 0.000 1.382 634 W CB 0.122 29.524 29.460 -0.097 0.000 1.067 634 W HN 0.653 nan 8.180 nan 0.000 0.590 635 C N -2.871 116.523 119.300 0.157 0.000 3.275 635 C HA 0.618 5.078 4.460 0.001 0.000 0.345 635 C C -0.671 174.416 174.990 0.162 0.000 1.257 635 C CA -1.822 57.315 59.018 0.199 0.000 1.203 635 C CB 0.159 28.047 27.740 0.247 0.000 1.492 635 C HN -0.059 nan 8.230 nan 0.000 0.484 636 F N 0.964 121.036 119.950 0.203 0.000 2.509 636 F HA 0.884 5.411 4.527 0.001 0.000 0.334 636 F C 1.092 177.059 175.800 0.280 0.000 1.060 636 F CA 0.824 58.958 58.000 0.223 0.000 0.997 636 F CB 2.408 41.476 39.000 0.114 0.000 1.271 636 F HN 1.213 nan 8.300 nan 0.000 0.488 637 G N 1.019 110.068 108.800 0.414 0.000 2.667 637 G HA2 0.543 4.504 3.960 0.001 0.000 0.294 637 G HA3 0.543 4.504 3.960 0.001 0.000 0.294 637 G C -3.386 171.519 174.900 0.008 0.000 1.467 637 G CA -1.199 43.984 45.100 0.138 0.000 0.852 637 G HN 0.220 nan 8.290 nan 0.000 0.521 638 P HA 0.253 nan 4.420 nan 0.000 0.307 638 P C -0.334 176.967 177.300 0.002 0.000 1.306 638 P CA -0.225 62.841 63.100 -0.057 0.000 0.742 638 P CB 0.417 32.067 31.700 -0.084 0.000 1.349 639 D N -1.099 119.297 120.400 -0.007 0.000 2.739 639 D HA -0.223 4.418 4.640 0.001 0.000 0.230 639 D C 0.995 177.314 176.300 0.031 0.000 1.167 639 D CA 1.600 55.600 54.000 0.001 0.000 0.640 639 D CB -1.665 39.121 40.800 -0.022 0.000 1.045 639 D HN 0.846 nan 8.370 nan 0.000 0.421 640 G N 1.218 110.064 108.800 0.077 0.000 2.186 640 G HA2 -0.394 3.567 3.960 0.001 0.000 0.266 640 G HA3 -0.394 3.567 3.960 0.001 0.000 0.266 640 G C 0.598 175.564 174.900 0.110 0.000 0.982 640 G CA 1.254 46.425 45.100 0.118 0.000 0.670 640 G HN 0.715 nan 8.290 nan 0.000 0.533 641 N N -1.326 117.420 118.700 0.076 0.000 2.073 641 N HA 0.346 5.086 4.740 0.001 0.000 0.227 641 N C 0.883 176.415 175.510 0.036 0.000 1.367 641 N CA 0.766 53.798 53.050 -0.030 0.000 0.775 641 N CB -0.338 38.075 38.487 -0.123 0.000 1.234 641 N HN 0.690 nan 8.380 nan 0.000 0.512 642 G N 0.986 109.856 108.800 0.117 0.000 2.653 642 G HA2 0.326 4.286 3.960 0.001 0.000 0.265 642 G HA3 0.326 4.286 3.960 0.001 0.000 0.265 642 G C -2.132 172.883 174.900 0.191 0.000 1.237 642 G CA -1.124 44.034 45.100 0.097 0.000 0.946 642 G HN 0.107 nan 8.290 nan 0.000 0.522 643 P HA 0.177 nan 4.420 nan 0.000 0.214 643 P C -1.132 176.250 177.300 0.137 0.000 1.826 643 P CA -0.217 62.967 63.100 0.139 0.000 0.977 643 P CB -0.355 31.388 31.700 0.071 0.000 1.930 644 N N 0.477 119.301 118.700 0.207 0.000 2.405 644 N HA 0.564 5.304 4.740 0.001 0.000 0.274 644 N C -1.019 174.676 175.510 0.310 0.000 1.170 644 N CA -0.634 52.567 53.050 0.251 0.000 0.848 644 N CB 1.808 40.431 38.487 0.226 0.000 1.629 644 N HN -0.045 nan 8.380 nan 0.000 0.481 645 L N 0.142 121.506 121.223 0.235 0.000 2.359 645 L HA 0.803 5.144 4.340 0.001 0.000 0.256 645 L C -1.108 175.594 176.870 -0.280 0.000 1.026 645 L CA -1.212 53.603 54.840 -0.041 0.000 0.828 645 L CB 2.184 44.142 42.059 -0.169 0.000 1.406 645 L HN 0.176 nan 8.230 nan 0.000 0.413 646 V N 2.858 122.501 119.914 -0.452 0.000 2.443 646 V HA 0.430 4.550 4.120 0.001 0.000 0.293 646 V C -0.553 175.376 176.094 -0.275 0.000 1.021 646 V CA -0.364 61.617 62.300 -0.531 0.000 0.848 646 V CB 1.948 33.353 31.823 -0.696 0.000 0.998 646 V HN 0.367 nan 8.190 nan 0.000 0.424 647 I N 3.561 123.984 120.570 -0.245 0.000 2.336 647 I HA 0.305 4.475 4.170 0.001 0.000 0.292 647 I C 0.176 176.067 176.117 -0.376 0.000 0.991 647 I CA -0.486 60.694 61.300 -0.200 0.000 1.227 647 I CB 1.550 39.499 38.000 -0.086 0.000 1.366 647 I HN 0.635 nan 8.210 nan 0.000 0.466 648 D N 6.103 126.195 120.400 -0.513 0.000 2.470 648 D HA 0.079 4.719 4.640 0.001 0.000 0.226 648 D C 0.602 176.709 176.300 -0.321 0.000 1.196 648 D CA 0.154 53.753 54.000 -0.668 0.000 0.979 648 D CB 0.467 40.744 40.800 -0.871 0.000 1.059 648 D HN 0.438 nan 8.370 nan 0.000 0.515 649 Q N 1.589 121.234 119.800 -0.258 0.000 2.320 649 Q HA 0.055 4.395 4.340 0.001 0.000 0.201 649 Q C 0.647 176.569 176.000 -0.129 0.000 0.910 649 Q CA -0.039 55.670 55.803 -0.157 0.000 0.946 649 Q CB 0.205 28.861 28.738 -0.136 0.000 1.062 649 Q HN 0.585 nan 8.270 nan 0.000 0.503 650 T N -0.432 114.031 114.554 -0.152 0.000 2.855 650 T HA 0.121 4.472 4.350 0.001 0.000 0.314 650 T C 0.144 174.808 174.700 -0.060 0.000 1.077 650 T CA -0.318 61.723 62.100 -0.098 0.000 1.095 650 T CB 0.888 69.705 68.868 -0.086 0.000 0.987 650 T HN -0.171 nan 8.240 nan 0.000 0.546 651 K N 1.444 121.817 120.400 -0.046 0.000 2.502 651 K HA 0.579 4.900 4.320 0.001 0.000 0.254 651 K C 0.247 176.834 176.600 -0.022 0.000 0.947 651 K CA -0.214 56.054 56.287 -0.032 0.000 0.834 651 K CB 1.327 33.803 32.500 -0.040 0.000 1.112 651 K HN 1.181 nan 8.250 nan 0.000 0.427 652 A N 1.668 124.482 122.820 -0.009 0.000 2.791 652 A HA -0.147 4.173 4.320 0.001 0.000 0.292 652 A C -0.048 177.531 177.584 -0.009 0.000 1.487 652 A CA 0.538 52.569 52.037 -0.010 0.000 0.760 652 A CB -1.998 16.990 19.000 -0.020 0.000 1.031 652 A HN 0.273 nan 8.150 nan 0.000 0.503 653 V N 2.043 121.965 119.914 0.012 0.000 2.322 653 V HA 0.219 4.339 4.120 0.001 0.000 0.258 653 V C 0.874 176.981 176.094 0.023 0.000 1.074 653 V CA 0.539 62.854 62.300 0.025 0.000 0.909 653 V CB 1.049 32.902 31.823 0.049 0.000 1.090 653 V HN 0.797 nan 8.190 nan 0.000 0.486 654 Q N 4.134 123.906 119.800 -0.047 0.000 2.349 654 Q HA -0.038 4.303 4.340 0.001 0.000 0.287 654 Q C 0.139 176.080 176.000 -0.098 0.000 1.044 654 Q CA 0.278 55.970 55.803 -0.185 0.000 0.918 654 Q CB 0.187 28.675 28.738 -0.417 0.000 1.242 654 Q HN 0.719 nan 8.270 nan 0.000 0.405 655 Y N 0.102 120.408 120.300 0.009 0.000 4.897 655 Y HA -0.370 4.180 4.550 0.001 0.000 0.263 655 Y C 0.930 176.679 175.900 -0.253 0.000 0.945 655 Y CA 0.731 58.726 58.100 -0.175 0.000 1.858 655 Y CB -2.000 36.397 38.460 -0.105 0.000 1.296 655 Y HN 0.710 nan 8.280 nan 0.000 0.490 656 L N 1.717 122.998 121.223 0.096 0.000 2.040 656 L HA -0.323 4.017 4.340 0.001 0.000 0.228 656 L C 2.937 179.894 176.870 0.145 0.000 1.092 656 L CA 2.994 57.935 54.840 0.169 0.000 0.805 656 L CB -0.966 41.243 42.059 0.250 0.000 0.905 656 L HN 0.634 nan 8.230 nan 0.000 0.443 657 H N -0.776 118.389 119.070 0.159 0.000 2.431 657 H HA -0.186 4.370 4.556 0.001 0.000 0.297 657 H C 1.603 176.937 175.328 0.010 0.000 1.115 657 H CA 1.691 57.764 56.048 0.041 0.000 1.277 657 H CB -0.961 28.805 29.762 0.005 0.000 1.372 657 H HN 0.626 nan 8.280 nan 0.000 0.516 658 E N 1.079 121.048 120.200 -0.385 0.000 2.472 658 E HA -0.009 4.341 4.350 0.001 0.000 0.200 658 E C 1.773 178.330 176.600 -0.072 0.000 1.046 658 E CA 0.977 57.263 56.400 -0.190 0.000 0.871 658 E CB -0.018 29.548 29.700 -0.224 0.000 0.806 658 E HN 0.791 nan 8.360 nan 0.000 0.533 659 I N -2.945 117.616 120.570 -0.015 0.000 4.081 659 I HA 0.209 4.379 4.170 0.001 0.000 0.333 659 I C 1.802 177.954 176.117 0.058 0.000 1.413 659 I CA -0.379 60.943 61.300 0.037 0.000 1.110 659 I CB 0.312 38.363 38.000 0.085 0.000 1.082 659 I HN -0.190 nan 8.210 nan 0.000 0.402 660 K N 2.003 122.371 120.400 -0.054 0.000 2.009 660 K HA -0.200 4.120 4.320 0.001 0.000 0.210 660 K C 1.428 177.928 176.600 -0.166 0.000 1.049 660 K CA 2.503 58.606 56.287 -0.306 0.000 0.929 660 K CB -0.026 32.042 32.500 -0.720 0.000 0.714 660 K HN 0.325 nan 8.250 nan 0.000 0.440 661 D N 0.241 120.570 120.400 -0.118 0.000 2.116 661 D HA -0.149 4.491 4.640 0.001 0.000 0.193 661 D C 2.029 178.341 176.300 0.019 0.000 0.998 661 D CA 1.477 55.447 54.000 -0.051 0.000 0.836 661 D CB -0.355 40.423 40.800 -0.036 0.000 0.951 661 D HN 0.193 nan 8.370 nan 0.000 0.449 662 S N 0.174 115.895 115.700 0.035 0.000 2.356 662 S HA -0.110 4.361 4.470 0.001 0.000 0.223 662 S C 2.431 177.097 174.600 0.110 0.000 1.032 662 S CA 0.805 59.046 58.200 0.069 0.000 1.005 662 S CB -0.395 62.840 63.200 0.058 0.000 0.867 662 S HN 0.102 nan 8.310 nan 0.000 0.449 663 V N 1.784 121.785 119.914 0.145 0.000 2.324 663 V HA -0.177 3.944 4.120 0.001 0.000 0.250 663 V C 2.333 178.564 176.094 0.228 0.000 1.060 663 V CA 1.572 63.998 62.300 0.209 0.000 1.042 663 V CB -0.960 31.095 31.823 0.386 0.000 0.650 663 V HN 0.334 nan 8.190 nan 0.000 0.450 664 V N 0.265 120.302 119.914 0.205 0.000 2.261 664 V HA -0.255 3.866 4.120 0.001 0.000 0.246 664 V C 2.769 179.003 176.094 0.234 0.000 1.047 664 V CA 2.029 64.465 62.300 0.226 0.000 1.015 664 V CB -1.276 30.624 31.823 0.129 0.000 0.642 664 V HN 0.555 nan 8.190 nan 0.000 0.446 665 A N 0.230 123.147 122.820 0.161 0.000 1.903 665 A HA -0.261 4.059 4.320 0.001 0.000 0.219 665 A C 2.437 180.143 177.584 0.203 0.000 1.191 665 A CA 2.685 54.814 52.037 0.155 0.000 0.638 665 A CB -1.016 18.055 19.000 0.118 0.000 0.823 665 A HN 0.633 nan 8.150 nan 0.000 0.451 666 A N -1.668 121.264 122.820 0.187 0.000 1.940 666 A HA -0.066 4.255 4.320 0.001 0.000 0.219 666 A C 2.044 179.713 177.584 0.141 0.000 1.176 666 A CA 1.741 53.862 52.037 0.141 0.000 0.631 666 A CB -0.687 18.349 19.000 0.060 0.000 0.814 666 A HN 0.644 nan 8.150 nan 0.000 0.446 667 F N 0.659 120.636 119.950 0.045 0.000 2.146 667 F HA -0.163 4.365 4.527 0.001 0.000 0.298 667 F C 2.492 178.336 175.800 0.074 0.000 1.096 667 F CA 1.884 59.909 58.000 0.041 0.000 1.275 667 F CB -0.271 38.774 39.000 0.076 0.000 1.008 667 F HN 0.213 nan 8.300 nan 0.000 0.480 668 Q N -0.616 119.240 119.800 0.094 0.000 2.096 668 Q HA -0.262 4.078 4.340 0.001 0.000 0.204 668 Q C 2.081 178.106 176.000 0.042 0.000 0.982 668 Q CA 1.838 57.651 55.803 0.017 0.000 0.850 668 Q CB -1.367 27.429 28.738 0.097 0.000 0.901 668 Q HN 0.663 nan 8.270 nan 0.000 0.422 669 W N 1.249 122.483 121.300 -0.109 0.000 2.413 669 W HA 0.006 4.666 4.660 0.001 0.000 0.315 669 W C 2.252 178.678 176.519 -0.154 0.000 1.186 669 W CA 1.738 59.014 57.345 -0.114 0.000 1.326 669 W CB -1.008 28.401 29.460 -0.086 0.000 1.153 669 W HN 0.100 nan 8.180 nan 0.000 0.489 670 A N 0.435 123.130 122.820 -0.209 0.000 1.948 670 A HA -0.286 4.034 4.320 0.001 0.000 0.220 670 A C 2.026 179.507 177.584 -0.172 0.000 1.177 670 A CA 3.566 55.426 52.037 -0.294 0.000 0.636 670 A CB -1.552 17.261 19.000 -0.311 0.000 0.815 670 A HN 0.477 nan 8.150 nan 0.000 0.449 671 T N -3.775 110.580 114.554 -0.333 0.000 3.067 671 T HA 0.051 4.401 4.350 0.001 0.000 0.261 671 T C 1.740 176.326 174.700 -0.190 0.000 1.110 671 T CA 1.040 62.935 62.100 -0.341 0.000 1.113 671 T CB 0.002 68.524 68.868 -0.576 0.000 0.917 671 T HN 0.258 nan 8.240 nan 0.000 0.499 672 K N 1.448 121.791 120.400 -0.094 0.000 2.116 672 K HA 0.168 4.489 4.320 0.001 0.000 0.203 672 K C 0.504 177.066 176.600 -0.062 0.000 1.052 672 K CA 0.889 57.139 56.287 -0.061 0.000 0.952 672 K CB 0.171 32.668 32.500 -0.005 0.000 0.729 672 K HN 0.596 nan 8.250 nan 0.000 0.446 673 E N 0.314 120.514 120.200 0.001 0.000 2.621 673 E HA 0.253 4.604 4.350 0.001 0.000 0.263 673 E C -0.346 176.209 176.600 -0.074 0.000 1.033 673 E CA -0.422 55.953 56.400 -0.041 0.000 0.778 673 E CB 1.389 31.121 29.700 0.053 0.000 1.426 673 E HN 0.124 nan 8.360 nan 0.000 0.394 674 G N 2.573 111.213 108.800 -0.265 0.000 2.683 674 G HA2 0.101 4.061 3.960 0.001 0.000 0.260 674 G HA3 0.101 4.061 3.960 0.001 0.000 0.260 674 G C -1.387 173.100 174.900 -0.689 0.000 1.238 674 G CA -0.745 44.038 45.100 -0.528 0.000 0.934 674 G HN 0.271 nan 8.290 nan 0.000 0.534 675 P HA 0.083 nan 4.420 nan 0.000 0.251 675 P C 1.533 178.641 177.300 -0.321 0.000 1.223 675 P CA 0.032 62.604 63.100 -0.880 0.000 0.796 675 P CB 0.371 31.286 31.700 -1.309 0.000 1.068 676 I N 0.407 120.858 120.570 -0.199 0.000 2.193 676 I HA -0.066 4.104 4.170 0.001 0.000 0.240 676 I C 1.555 177.846 176.117 0.290 0.000 1.084 676 I CA 1.705 63.074 61.300 0.114 0.000 1.365 676 I CB -1.068 37.114 38.000 0.303 0.000 1.064 676 I HN 0.047 nan 8.210 nan 0.000 0.410 677 F N -1.512 118.363 119.950 -0.125 0.000 2.598 677 F HA 0.535 5.062 4.527 0.001 0.000 0.397 677 F C 0.645 176.382 175.800 -0.105 0.000 1.402 677 F CA -0.206 57.750 58.000 -0.074 0.000 1.072 677 F CB -0.397 38.595 39.000 -0.014 0.000 2.048 677 F HN 0.104 nan 8.300 nan 0.000 0.492 678 G N 0.064 108.715 108.800 -0.248 0.000 2.186 678 G HA2 -0.281 3.680 3.960 0.001 0.000 0.266 678 G HA3 -0.281 3.680 3.960 0.001 0.000 0.266 678 G C 0.244 174.906 174.900 -0.396 0.000 0.982 678 G CA 0.816 45.733 45.100 -0.305 0.000 0.670 678 G HN 0.560 nan 8.290 nan 0.000 0.533 679 E N 0.538 120.376 120.200 -0.604 0.000 2.312 679 E HA 0.325 4.675 4.350 0.001 0.000 0.259 679 E C 0.724 177.137 176.600 -0.311 0.000 1.122 679 E CA -0.490 55.605 56.400 -0.507 0.000 0.922 679 E CB 0.447 29.704 29.700 -0.738 0.000 1.109 679 E HN 0.558 nan 8.360 nan 0.000 0.442 680 E N 0.903 120.959 120.200 -0.239 0.000 2.392 680 E HA 0.059 4.409 4.350 0.001 0.000 0.264 680 E C -0.068 176.412 176.600 -0.201 0.000 1.024 680 E CA 0.174 56.449 56.400 -0.208 0.000 0.903 680 E CB 0.695 30.273 29.700 -0.204 0.000 0.963 680 E HN 0.225 nan 8.360 nan 0.000 0.432 681 M N 2.234 121.732 119.600 -0.170 0.000 2.274 681 M HA 0.294 4.774 4.480 0.001 0.000 0.344 681 M C 0.045 176.287 176.300 -0.096 0.000 1.161 681 M CA 0.071 55.320 55.300 -0.086 0.000 1.126 681 M CB 1.154 33.726 32.600 -0.047 0.000 1.522 681 M HN 0.302 nan 8.290 nan 0.000 0.461 682 R N 0.337 120.805 120.500 -0.054 0.000 2.604 682 R HA 0.352 4.693 4.340 0.001 0.000 0.281 682 R C -0.752 175.548 176.300 0.001 0.000 1.020 682 R CA -0.153 55.892 56.100 -0.091 0.000 0.899 682 R CB 1.422 31.559 30.300 -0.271 0.000 1.205 682 R HN 0.800 nan 8.270 nan 0.000 0.450 683 S N 0.710 116.429 115.700 0.032 0.000 3.749 683 S HA -0.124 4.347 4.470 0.001 0.000 0.348 683 S C -0.533 174.123 174.600 0.093 0.000 1.045 683 S CA 0.746 58.986 58.200 0.067 0.000 1.051 683 S CB -1.297 61.934 63.200 0.052 0.000 0.898 683 S HN 0.365 nan 8.310 nan 0.000 0.472 684 V N 1.399 121.394 119.914 0.135 0.000 2.417 684 V HA 0.633 4.753 4.120 0.001 0.000 0.291 684 V C 0.294 176.511 176.094 0.204 0.000 1.024 684 V CA -0.724 61.678 62.300 0.170 0.000 0.861 684 V CB 1.856 33.832 31.823 0.255 0.000 0.985 684 V HN 0.434 nan 8.190 nan 0.000 0.436 685 R N 4.395 124.977 120.500 0.137 0.000 2.338 685 R HA 0.693 5.034 4.340 0.001 0.000 0.317 685 R C -1.601 174.731 176.300 0.054 0.000 0.968 685 R CA -0.241 55.920 56.100 0.101 0.000 0.849 685 R CB 1.631 31.975 30.300 0.075 0.000 1.128 685 R HN 0.445 nan 8.270 nan 0.000 0.448 686 V N 5.330 125.240 119.914 -0.006 0.000 2.407 686 V HA 0.379 4.499 4.120 0.001 0.000 0.291 686 V C -0.836 175.173 176.094 -0.141 0.000 1.018 686 V CA -0.858 61.408 62.300 -0.057 0.000 0.842 686 V CB 1.695 33.477 31.823 -0.068 0.000 0.996 686 V HN 0.889 nan 8.190 nan 0.000 0.426 687 N N 4.668 123.298 118.700 -0.115 0.000 2.469 687 N HA 0.511 5.252 4.740 0.001 0.000 0.253 687 N C -0.734 174.686 175.510 -0.150 0.000 0.970 687 N CA -0.590 52.371 53.050 -0.148 0.000 0.940 687 N CB 1.465 39.877 38.487 -0.125 0.000 1.128 687 N HN 0.503 nan 8.380 nan 0.000 0.503 688 I N 3.421 123.857 120.570 -0.223 0.000 2.389 688 I HA -0.009 4.162 4.170 0.001 0.000 0.295 688 I C 1.187 177.215 176.117 -0.149 0.000 1.117 688 I CA 0.294 61.474 61.300 -0.201 0.000 1.317 688 I CB 0.203 38.000 38.000 -0.338 0.000 1.431 688 I HN 0.589 nan 8.210 nan 0.000 0.521 689 L N 3.344 124.527 121.223 -0.068 0.000 2.049 689 L HA 0.073 4.413 4.340 0.001 0.000 0.203 689 L C 0.629 177.471 176.870 -0.048 0.000 1.074 689 L CA 1.032 55.839 54.840 -0.055 0.000 0.749 689 L CB -0.184 41.860 42.059 -0.024 0.000 0.907 689 L HN 0.541 nan 8.230 nan 0.000 0.439 690 D N -1.999 118.424 120.400 0.037 0.000 2.583 690 D HA 0.580 5.220 4.640 0.001 0.000 0.248 690 D C -1.435 174.989 176.300 0.207 0.000 1.209 690 D CA -0.270 53.759 54.000 0.049 0.000 0.848 690 D CB 3.043 43.752 40.800 -0.153 0.000 1.431 690 D HN -0.293 nan 8.370 nan 0.000 0.436 691 V N 0.661 120.670 119.914 0.159 0.000 2.891 691 V HA 0.575 4.696 4.120 0.001 0.000 0.304 691 V C -0.729 175.453 176.094 0.147 0.000 1.171 691 V CA -0.761 61.636 62.300 0.162 0.000 0.943 691 V CB 2.143 34.020 31.823 0.090 0.000 1.037 691 V HN 0.785 nan 8.190 nan 0.000 0.427 692 T N 2.995 117.643 114.554 0.157 0.000 2.841 692 T HA 0.869 5.219 4.350 0.001 0.000 0.285 692 T C -1.059 173.708 174.700 0.111 0.000 0.991 692 T CA -0.590 61.588 62.100 0.129 0.000 0.966 692 T CB 1.265 70.223 68.868 0.150 0.000 0.962 692 T HN 0.401 nan 8.240 nan 0.000 0.438 693 L N 2.352 123.643 121.223 0.113 0.000 2.381 693 L HA 0.495 4.835 4.340 0.001 0.000 0.268 693 L C 0.158 177.093 176.870 0.108 0.000 0.997 693 L CA -1.392 53.518 54.840 0.118 0.000 0.818 693 L CB 2.079 44.216 42.059 0.129 0.000 1.310 693 L HN 0.807 nan 8.230 nan 0.000 0.416 694 H N 0.868 119.929 119.070 -0.015 0.000 2.972 694 H HA 0.031 4.587 4.556 0.001 0.000 0.343 694 H C 0.971 176.235 175.328 -0.106 0.000 1.054 694 H CA 0.767 56.751 56.048 -0.107 0.000 1.412 694 H CB 1.487 31.143 29.762 -0.175 0.000 1.385 694 H HN 0.783 nan 8.280 nan 0.000 0.600 695 A N 4.034 126.879 122.820 0.042 0.000 1.933 695 A HA -0.111 4.209 4.320 0.001 0.000 0.218 695 A C 0.520 178.059 177.584 -0.075 0.000 1.175 695 A CA 1.361 53.433 52.037 0.059 0.000 0.628 695 A CB -0.046 19.003 19.000 0.082 0.000 0.814 695 A HN 0.801 nan 8.150 nan 0.000 0.444 696 D N -0.108 120.406 120.400 0.189 0.000 2.312 696 D HA 0.449 5.090 4.640 0.001 0.000 0.252 696 D C 1.196 177.366 176.300 -0.217 0.000 1.150 696 D CA 0.610 54.554 54.000 -0.093 0.000 0.870 696 D CB 1.489 42.216 40.800 -0.122 0.000 1.153 696 D HN 0.199 nan 8.370 nan 0.000 0.457 697 A N 3.638 126.319 122.820 -0.232 0.000 1.917 697 A HA -0.200 4.120 4.320 0.001 0.000 0.219 697 A C 1.335 178.821 177.584 -0.164 0.000 1.182 697 A CA 0.713 52.629 52.037 -0.200 0.000 0.633 697 A CB -0.460 18.439 19.000 -0.168 0.000 0.819 697 A HN 0.632 nan 8.150 nan 0.000 0.448 701 G N -0.583 108.197 108.800 -0.034 0.000 2.683 701 G HA2 0.274 4.235 3.960 0.001 0.000 0.260 701 G HA3 0.274 4.235 3.960 0.001 0.000 0.260 701 G C 1.127 176.026 174.900 -0.001 0.000 1.238 701 G CA 0.132 45.218 45.100 -0.022 0.000 0.934 701 G HN 0.185 nan 8.290 nan 0.000 0.534 702 G N -0.507 108.297 108.800 0.006 0.000 2.422 702 G HA2 0.025 3.986 3.960 0.001 0.000 0.218 702 G HA3 0.025 3.986 3.960 0.001 0.000 0.218 702 G C 1.743 176.663 174.900 0.033 0.000 1.140 702 G CA 1.360 46.474 45.100 0.024 0.000 0.775 702 G HN 0.942 nan 8.290 nan 0.000 0.545 703 G N -0.263 108.552 108.800 0.024 0.000 2.450 703 G HA2 -0.145 3.815 3.960 0.001 0.000 0.220 703 G HA3 -0.145 3.815 3.960 0.001 0.000 0.220 703 G C 1.846 176.763 174.900 0.028 0.000 1.130 703 G CA 0.980 46.099 45.100 0.031 0.000 0.760 703 G HN 0.366 nan 8.290 nan 0.000 0.557 704 Q N -0.308 119.503 119.800 0.018 0.000 2.061 704 Q HA 0.105 4.445 4.340 0.001 0.000 0.195 704 Q C 2.725 178.735 176.000 0.016 0.000 0.967 704 Q CA 0.521 56.334 55.803 0.016 0.000 0.829 704 Q CB -0.275 28.472 28.738 0.015 0.000 0.900 704 Q HN 0.457 nan 8.270 nan 0.000 0.450 705 I N 1.022 121.605 120.570 0.021 0.000 2.233 705 I HA -0.197 3.974 4.170 0.001 0.000 0.243 705 I C 2.305 178.433 176.117 0.018 0.000 1.093 705 I CA 0.770 62.084 61.300 0.023 0.000 1.380 705 I CB -0.517 37.505 38.000 0.038 0.000 1.067 705 I HN 0.101 nan 8.210 nan 0.000 0.413 706 I N 0.751 121.344 120.570 0.038 0.000 2.145 706 I HA -0.293 3.878 4.170 0.001 0.000 0.244 706 I C -0.362 175.744 176.117 -0.018 0.000 1.075 706 I CA 1.912 63.240 61.300 0.047 0.000 1.332 706 I CB -1.833 36.233 38.000 0.111 0.000 1.033 706 I HN 0.211 nan 8.210 nan 0.000 0.410 707 P HA -0.090 nan 4.420 nan 0.000 0.217 707 P C 1.584 178.809 177.300 -0.125 0.000 1.151 707 P CA 1.436 64.484 63.100 -0.087 0.000 0.828 707 P CB -0.148 31.543 31.700 -0.015 0.000 0.788 708 T N -0.057 114.454 114.554 -0.072 0.000 2.622 708 T HA -0.237 4.113 4.350 0.001 0.000 0.266 708 T C 1.764 176.405 174.700 -0.099 0.000 1.047 708 T CA 1.867 63.921 62.100 -0.076 0.000 1.159 708 T CB -0.961 67.876 68.868 -0.052 0.000 0.863 708 T HN 0.047 nan 8.240 nan 0.000 0.422 709 M N 1.439 120.993 119.600 -0.076 0.000 2.082 709 M HA -0.089 4.392 4.480 0.001 0.000 0.258 709 M C 2.204 178.424 176.300 -0.134 0.000 1.069 709 M CA 1.590 56.852 55.300 -0.064 0.000 1.102 709 M CB -0.524 32.075 32.600 -0.001 0.000 1.336 709 M HN -0.020 nan 8.290 nan 0.000 0.404 710 R N -0.163 120.185 120.500 -0.254 0.000 2.091 710 R HA -0.135 4.205 4.340 0.001 0.000 0.238 710 R C 2.239 178.171 176.300 -0.613 0.000 1.136 710 R CA 1.796 57.573 56.100 -0.539 0.000 0.959 710 R CB -0.227 29.588 30.300 -0.810 0.000 0.856 710 R HN 0.498 nan 8.270 nan 0.000 0.437 711 R N -0.415 119.869 120.500 -0.360 0.000 2.062 711 R HA 0.013 4.353 4.340 0.001 0.000 0.226 711 R C 2.370 178.645 176.300 -0.042 0.000 1.125 711 R CA 1.015 57.006 56.100 -0.182 0.000 0.966 711 R CB -0.417 29.886 30.300 0.004 0.000 0.861 711 R HN 0.184 nan 8.270 nan 0.000 0.433 712 A N 1.114 123.905 122.820 -0.049 0.000 1.859 712 A HA -0.220 4.100 4.320 0.001 0.000 0.217 712 A C 2.262 179.882 177.584 0.060 0.000 1.198 712 A CA 2.379 54.419 52.037 0.006 0.000 0.629 712 A CB -1.235 17.737 19.000 -0.047 0.000 0.830 712 A HN 0.307 nan 8.150 nan 0.000 0.446 713 T N -1.147 113.419 114.554 0.020 0.000 2.685 713 T HA -0.204 4.146 4.350 0.001 0.000 0.268 713 T C 1.807 176.623 174.700 0.195 0.000 1.034 713 T CA 1.848 64.010 62.100 0.103 0.000 1.149 713 T CB -0.468 68.458 68.868 0.096 0.000 0.860 713 T HN 0.473 nan 8.240 nan 0.000 0.449 714 Y N 1.390 121.602 120.300 -0.147 0.000 2.181 714 Y HA 0.042 4.593 4.550 0.001 0.000 0.288 714 Y C 2.732 178.630 175.900 -0.002 0.000 1.146 714 Y CA -0.019 57.911 58.100 -0.284 0.000 1.164 714 Y CB -1.347 36.567 38.460 -0.910 0.000 0.982 714 Y HN 0.220 nan 8.280 nan 0.000 0.515 715 A N -0.006 122.989 122.820 0.292 0.000 1.865 715 A HA -0.153 4.168 4.320 0.001 0.000 0.217 715 A C 2.710 180.471 177.584 0.295 0.000 1.191 715 A CA 2.045 54.329 52.037 0.412 0.000 0.623 715 A CB -1.463 17.805 19.000 0.446 0.000 0.826 715 A HN 0.440 nan 8.150 nan 0.000 0.444 716 G N -1.326 107.603 108.800 0.215 0.000 2.446 716 G HA2 -0.274 3.687 3.960 0.001 0.000 0.217 716 G HA3 -0.274 3.687 3.960 0.001 0.000 0.217 716 G C 1.528 176.501 174.900 0.122 0.000 1.168 716 G CA 1.188 46.365 45.100 0.128 0.000 0.771 716 G HN 0.517 nan 8.290 nan 0.000 0.551 717 F N 0.554 120.534 119.950 0.051 0.000 2.091 717 F HA -0.106 4.422 4.527 0.001 0.000 0.299 717 F C 2.315 178.123 175.800 0.013 0.000 1.103 717 F CA 1.056 59.071 58.000 0.025 0.000 1.228 717 F CB -0.031 38.978 39.000 0.016 0.000 0.984 717 F HN 0.022 nan 8.300 nan 0.000 0.477 718 L N 0.256 121.711 121.223 0.387 0.000 2.275 718 L HA -0.132 4.209 4.340 0.001 0.000 0.215 718 L C 2.039 178.955 176.870 0.076 0.000 1.119 718 L CA 1.358 56.371 54.840 0.289 0.000 0.790 718 L CB -1.232 41.053 42.059 0.376 0.000 0.919 718 L HN 0.313 nan 8.230 nan 0.000 0.443 719 L N -1.210 119.995 121.223 -0.030 0.000 2.446 719 L HA 0.065 4.405 4.340 0.001 0.000 0.219 719 L C 1.785 178.538 176.870 -0.194 0.000 1.116 719 L CA 0.369 55.076 54.840 -0.222 0.000 0.844 719 L CB -0.248 41.613 42.059 -0.330 0.000 0.970 719 L HN 0.169 nan 8.230 nan 0.000 0.457 720 A N -0.415 122.295 122.820 -0.183 0.000 2.412 720 A HA 0.040 4.360 4.320 0.001 0.000 0.253 720 A C 0.043 177.498 177.584 -0.215 0.000 1.334 720 A CA -0.102 51.813 52.037 -0.203 0.000 0.929 720 A CB -0.505 18.361 19.000 -0.223 0.000 0.983 720 A HN 0.427 nan 8.150 nan 0.000 0.508 721 D N -0.826 119.471 120.400 -0.173 0.000 3.908 721 D HA -0.092 4.548 4.640 0.001 0.000 0.237 721 D C -2.821 173.373 176.300 -0.177 0.000 1.091 721 D CA 0.279 54.199 54.000 -0.133 0.000 1.147 721 D CB -0.580 40.157 40.800 -0.106 0.000 0.857 721 D HN 0.290 nan 8.370 nan 0.000 0.410 722 P HA 0.451 nan 4.420 nan 0.000 0.274 722 P C -0.577 176.701 177.300 -0.038 0.000 1.231 722 P CA -0.099 62.911 63.100 -0.150 0.000 0.790 722 P CB 0.708 32.439 31.700 0.051 0.000 0.951 723 K N 0.647 121.053 120.400 0.011 0.000 2.597 723 K HA 0.573 4.893 4.320 0.001 0.000 0.282 723 K C -1.053 175.618 176.600 0.118 0.000 0.975 723 K CA -0.641 55.675 56.287 0.048 0.000 0.867 723 K CB 1.503 34.014 32.500 0.018 0.000 1.465 723 K HN 0.481 nan 8.250 nan 0.000 0.417 724 I N -1.562 119.080 120.570 0.120 0.000 2.693 724 I HA 0.537 4.708 4.170 0.001 0.000 0.303 724 I C -1.117 175.123 176.117 0.205 0.000 1.025 724 I CA -0.573 60.838 61.300 0.185 0.000 1.086 724 I CB 2.065 40.176 38.000 0.185 0.000 1.268 724 I HN 0.448 nan 8.210 nan 0.000 0.440 725 Q N 3.742 123.701 119.800 0.265 0.000 2.345 725 Q HA 0.432 4.773 4.340 0.001 0.000 0.268 725 Q C -1.315 175.000 176.000 0.524 0.000 1.054 725 Q CA -0.819 55.176 55.803 0.319 0.000 0.835 725 Q CB 2.653 31.537 28.738 0.243 0.000 1.339 725 Q HN 0.758 nan 8.270 nan 0.000 0.447 726 E N 1.351 121.833 120.200 0.470 0.000 2.221 726 E HA 0.606 4.956 4.350 0.001 0.000 0.268 726 E C -2.656 174.054 176.600 0.182 0.000 0.933 726 E CA -2.331 54.276 56.400 0.345 0.000 0.809 726 E CB 1.802 31.654 29.700 0.253 0.000 1.190 726 E HN 0.173 nan 8.360 nan 0.000 0.406 727 P HA 0.150 nan 4.420 nan 0.000 0.282 727 P C -0.727 176.237 177.300 -0.562 0.000 1.249 727 P CA -0.524 62.197 63.100 -0.631 0.000 0.806 727 P CB 1.375 32.544 31.700 -0.885 0.000 0.984 728 V N 3.073 122.529 119.914 -0.763 0.000 2.735 728 V HA 0.393 4.513 4.120 0.001 0.000 0.310 728 V C -0.142 175.562 176.094 -0.650 0.000 1.061 728 V CA -0.512 61.342 62.300 -0.743 0.000 0.913 728 V CB 1.426 32.636 31.823 -1.021 0.000 1.005 728 V HN 0.353 nan 8.190 nan 0.000 0.428 729 F N 3.140 122.938 119.950 -0.254 0.000 2.397 729 F HA 0.549 5.077 4.527 0.001 0.000 0.331 729 F C 0.170 175.966 175.800 -0.007 0.000 1.090 729 F CA -1.077 56.828 58.000 -0.159 0.000 1.065 729 F CB 1.498 40.404 39.000 -0.156 0.000 1.184 729 F HN 0.248 nan 8.300 nan 0.000 0.499 730 L N 4.772 126.150 121.223 0.258 0.000 2.283 730 L HA 0.486 4.827 4.340 0.001 0.000 0.281 730 L C -1.139 175.755 176.870 0.041 0.000 1.033 730 L CA -0.606 54.350 54.840 0.193 0.000 0.848 730 L CB 0.833 42.987 42.059 0.158 0.000 1.226 730 L HN 0.402 nan 8.230 nan 0.000 0.429 731 V N 5.866 125.774 119.914 -0.011 0.000 2.383 731 V HA 0.316 4.436 4.120 0.001 0.000 0.275 731 V C -0.131 175.933 176.094 -0.050 0.000 1.036 731 V CA -0.326 61.935 62.300 -0.064 0.000 0.889 731 V CB 1.745 33.514 31.823 -0.090 0.000 0.985 731 V HN 0.839 nan 8.190 nan 0.000 0.459 732 E N 6.708 126.881 120.200 -0.046 0.000 2.134 732 E HA 0.507 4.857 4.350 0.001 0.000 0.278 732 E C -1.121 175.472 176.600 -0.011 0.000 0.959 732 E CA -0.552 55.831 56.400 -0.028 0.000 0.783 732 E CB 1.164 30.854 29.700 -0.016 0.000 1.095 732 E HN 0.755 nan 8.360 nan 0.000 0.399 733 I N 3.763 124.334 120.570 0.003 0.000 2.465 733 I HA 0.219 4.389 4.170 0.001 0.000 0.291 733 I C -0.446 175.704 176.117 0.055 0.000 1.014 733 I CA -1.014 60.299 61.300 0.022 0.000 1.093 733 I CB 1.929 39.931 38.000 0.002 0.000 1.267 733 I HN 0.423 nan 8.210 nan 0.000 0.431 734 Q N 4.302 124.166 119.800 0.107 0.000 2.241 734 Q HA 0.610 4.950 4.340 0.001 0.000 0.254 734 Q C -1.155 174.893 176.000 0.080 0.000 0.917 734 Q CA -0.021 55.845 55.803 0.104 0.000 0.919 734 Q CB 1.852 30.665 28.738 0.124 0.000 1.237 734 Q HN 0.716 nan 8.270 nan 0.000 0.434 735 C N 4.615 123.957 119.300 0.071 0.000 3.254 735 C HA 0.460 4.920 4.460 0.001 0.000 0.405 735 C C -2.805 172.223 174.990 0.064 0.000 1.027 735 C CA -1.505 57.541 59.018 0.047 0.000 1.192 735 C CB 1.401 29.157 27.740 0.027 0.000 1.567 735 C HN 0.645 nan 8.230 nan 0.000 0.582 736 P HA 0.130 nan 4.420 nan 0.000 0.264 736 P C 0.612 177.878 177.300 -0.058 0.000 1.193 736 P CA 0.694 63.822 63.100 0.046 0.000 0.763 736 P CB 0.475 32.216 31.700 0.068 0.000 0.810 737 E N 3.030 123.106 120.200 -0.206 0.000 2.279 737 E HA -0.351 3.999 4.350 0.001 0.000 0.205 737 E C 1.315 177.776 176.600 -0.232 0.000 1.028 737 E CA 1.607 57.720 56.400 -0.477 0.000 0.830 737 E CB 0.149 29.418 29.700 -0.719 0.000 0.736 737 E HN 0.558 nan 8.360 nan 0.000 0.478 738 Q N -0.842 118.885 119.800 -0.122 0.000 2.123 738 Q HA -0.017 4.323 4.340 0.001 0.000 0.199 738 Q C 1.952 177.931 176.000 -0.036 0.000 0.966 738 Q CA 1.252 57.016 55.803 -0.065 0.000 0.845 738 Q CB -0.036 28.680 28.738 -0.036 0.000 0.907 738 Q HN 0.206 nan 8.270 nan 0.000 0.439 739 A N 0.817 123.620 122.820 -0.030 0.000 2.238 739 A HA 0.179 4.500 4.320 0.001 0.000 0.210 739 A C 2.042 179.617 177.584 -0.014 0.000 1.179 739 A CA -0.078 51.949 52.037 -0.016 0.000 0.827 739 A CB -0.011 18.982 19.000 -0.013 0.000 0.856 739 A HN 0.183 nan 8.150 nan 0.000 0.488 740 V N 0.098 120.005 119.914 -0.012 0.000 2.828 740 V HA -0.207 3.913 4.120 0.001 0.000 0.260 740 V C 2.642 178.764 176.094 0.048 0.000 1.101 740 V CA 1.733 64.037 62.300 0.006 0.000 1.123 740 V CB -1.233 30.645 31.823 0.091 0.000 0.704 740 V HN 0.592 nan 8.190 nan 0.000 0.493 741 G N 0.632 109.482 108.800 0.084 0.000 2.433 741 G HA2 -0.162 3.798 3.960 0.001 0.000 0.216 741 G HA3 -0.162 3.798 3.960 0.001 0.000 0.216 741 G C 1.660 176.616 174.900 0.093 0.000 1.186 741 G CA 0.825 46.008 45.100 0.137 0.000 0.779 741 G HN 0.562 nan 8.290 nan 0.000 0.543 742 G N 1.037 109.853 108.800 0.027 0.000 2.475 742 G HA2 -0.215 3.745 3.960 0.001 0.000 0.220 742 G HA3 -0.215 3.745 3.960 0.001 0.000 0.220 742 G C 1.620 176.505 174.900 -0.026 0.000 1.125 742 G CA 0.968 46.068 45.100 0.001 0.000 0.755 742 G HN 0.322 nan 8.290 nan 0.000 0.565 743 I N 0.346 120.863 120.570 -0.088 0.000 2.032 743 I HA -0.188 3.982 4.170 0.001 0.000 0.231 743 I C 2.537 178.592 176.117 -0.102 0.000 1.035 743 I CA 1.231 62.429 61.300 -0.171 0.000 1.312 743 I CB -1.611 36.154 38.000 -0.392 0.000 1.041 743 I HN 0.200 nan 8.210 nan 0.000 0.390 744 Y N 1.177 121.520 120.300 0.073 0.000 2.283 744 Y HA -0.251 4.299 4.550 0.001 0.000 0.285 744 Y C 3.052 178.993 175.900 0.068 0.000 1.176 744 Y CA 1.626 59.769 58.100 0.072 0.000 1.229 744 Y CB -1.244 37.253 38.460 0.062 0.000 0.975 744 Y HN 0.240 nan 8.280 nan 0.000 0.537 745 S N -0.428 115.375 115.700 0.171 0.000 2.356 745 S HA -0.148 4.323 4.470 0.001 0.000 0.223 745 S C 2.107 176.769 174.600 0.104 0.000 1.032 745 S CA 1.656 59.926 58.200 0.118 0.000 1.005 745 S CB -0.651 62.593 63.200 0.074 0.000 0.867 745 S HN 0.203 nan 8.310 nan 0.000 0.449 746 V N 2.023 121.990 119.914 0.089 0.000 2.591 746 V HA 0.036 4.156 4.120 0.001 0.000 0.249 746 V C 2.350 178.568 176.094 0.208 0.000 1.053 746 V CA 1.174 63.543 62.300 0.115 0.000 1.068 746 V CB -0.644 31.197 31.823 0.031 0.000 0.689 746 V HN 0.463 nan 8.190 nan 0.000 0.462 747 L N 0.544 121.895 121.223 0.213 0.000 2.191 747 L HA -0.135 4.206 4.340 0.001 0.000 0.212 747 L C 2.015 178.985 176.870 0.167 0.000 1.103 747 L CA 1.188 56.155 54.840 0.211 0.000 0.769 747 L CB -0.602 41.568 42.059 0.185 0.000 0.908 747 L HN 0.428 nan 8.230 nan 0.000 0.438 748 N N 0.854 119.648 118.700 0.157 0.000 2.461 748 N HA -0.074 4.666 4.740 0.001 0.000 0.188 748 N C 1.068 176.643 175.510 0.109 0.000 1.134 748 N CA 0.649 53.774 53.050 0.126 0.000 0.878 748 N CB 0.119 38.676 38.487 0.117 0.000 0.972 748 N HN 0.564 nan 8.380 nan 0.000 0.456 749 K N -0.678 119.795 120.400 0.121 0.000 2.478 749 K HA 0.319 4.639 4.320 0.001 0.000 0.205 749 K C 0.329 177.001 176.600 0.121 0.000 1.033 749 K CA -0.159 56.193 56.287 0.108 0.000 1.091 749 K CB 0.643 33.202 32.500 0.098 0.000 0.844 749 K HN -0.264 nan 8.250 nan 0.000 0.507 750 K N 0.962 121.440 120.400 0.129 0.000 2.554 750 K HA 0.271 4.591 4.320 0.001 0.000 0.211 750 K C -0.593 176.061 176.600 0.090 0.000 1.226 750 K CA -0.249 56.111 56.287 0.121 0.000 1.025 750 K CB 0.692 33.279 32.500 0.145 0.000 1.021 750 K HN 0.198 nan 8.250 nan 0.000 0.600 751 R N -0.366 120.190 120.500 0.092 0.000 3.532 751 R HA -0.122 4.219 4.340 0.001 0.000 0.284 751 R C 0.242 176.594 176.300 0.087 0.000 1.140 751 R CA 0.542 56.693 56.100 0.085 0.000 0.768 751 R CB -2.257 28.088 30.300 0.076 0.000 1.252 751 R HN 0.316 nan 8.270 nan 0.000 0.454 752 G N 0.561 109.418 108.800 0.095 0.000 2.507 752 G HA2 0.316 4.276 3.960 0.001 0.000 0.271 752 G HA3 0.316 4.276 3.960 0.001 0.000 0.271 752 G C -0.495 174.480 174.900 0.124 0.000 1.189 752 G CA -0.310 44.848 45.100 0.097 0.000 0.859 752 G HN 0.180 nan 8.290 nan 0.000 0.542 753 Q N 0.885 120.770 119.800 0.143 0.000 2.303 753 Q HA 0.396 4.737 4.340 0.001 0.000 0.267 753 Q C -1.023 175.025 176.000 0.079 0.000 1.011 753 Q CA -0.648 55.243 55.803 0.146 0.000 0.740 753 Q CB 1.853 30.731 28.738 0.233 0.000 1.250 753 Q HN 0.345 nan 8.270 nan 0.000 0.458 754 V N 5.015 124.982 119.914 0.087 0.000 2.446 754 V HA 0.010 4.130 4.120 0.001 0.000 0.276 754 V C 0.982 177.064 176.094 -0.021 0.000 1.030 754 V CA 0.143 62.483 62.300 0.067 0.000 1.033 754 V CB 0.865 32.803 31.823 0.191 0.000 0.993 754 V HN 0.778 nan 8.190 nan 0.000 0.477 755 V N 3.363 123.196 119.914 -0.135 0.000 2.825 755 V HA 0.128 4.249 4.120 0.001 0.000 0.246 755 V C 0.758 176.791 176.094 -0.102 0.000 1.068 755 V CA 1.264 63.451 62.300 -0.189 0.000 1.088 755 V CB 0.337 31.901 31.823 -0.432 0.000 0.733 755 V HN 1.019 nan 8.190 nan 0.000 0.468 756 S N -0.639 115.019 115.700 -0.071 0.000 2.578 756 S HA 0.481 4.951 4.470 0.001 0.000 0.285 756 S C -1.313 173.275 174.600 -0.019 0.000 1.126 756 S CA -0.753 57.419 58.200 -0.045 0.000 0.878 756 S CB 2.281 65.440 63.200 -0.068 0.000 1.091 756 S HN 0.301 nan 8.310 nan 0.000 0.450 757 E N 1.382 121.569 120.200 -0.021 0.000 2.281 757 E HA 0.429 4.780 4.350 0.001 0.000 0.266 757 E C -0.819 175.670 176.600 -0.185 0.000 0.893 757 E CA -0.361 56.018 56.400 -0.036 0.000 0.798 757 E CB 1.491 31.259 29.700 0.114 0.000 1.245 757 E HN 0.789 nan 8.360 nan 0.000 0.410 758 E N 2.525 122.568 120.200 -0.262 0.000 2.989 758 E HA 0.400 4.751 4.350 0.001 0.000 0.182 758 E C -0.570 175.684 176.600 -0.578 0.000 0.730 758 E CA -0.819 55.373 56.400 -0.348 0.000 1.204 758 E CB 1.372 30.966 29.700 -0.176 0.000 1.863 758 E HN 0.545 nan 8.360 nan 0.000 0.366 759 Q N 0.065 119.682 119.800 -0.305 0.000 2.849 759 Q HA 0.218 4.559 4.340 0.001 0.000 0.267 759 Q C -1.616 174.376 176.000 -0.014 0.000 0.957 759 Q CA -0.731 54.980 55.803 -0.153 0.000 0.856 759 Q CB 1.175 29.781 28.738 -0.219 0.000 1.740 759 Q HN 0.320 nan 8.270 nan 0.000 0.441 760 R N 2.897 123.443 120.500 0.077 0.000 2.242 760 R HA 0.223 4.564 4.340 0.001 0.000 0.334 760 R C -1.845 174.502 176.300 0.077 0.000 1.071 760 R CA -1.263 54.883 56.100 0.077 0.000 0.922 760 R CB 0.283 30.652 30.300 0.115 0.000 1.023 760 R HN 0.524 nan 8.270 nan 0.000 0.458 761 P HA -0.319 nan 4.420 nan 0.000 0.217 761 P C 0.912 178.237 177.300 0.042 0.000 0.937 761 P CA 2.325 65.446 63.100 0.035 0.000 1.028 761 P CB -0.022 31.690 31.700 0.021 0.000 0.735 762 G N -1.790 107.029 108.800 0.032 0.000 2.575 762 G HA2 -0.156 3.805 3.960 0.001 0.000 0.215 762 G HA3 -0.156 3.805 3.960 0.001 0.000 0.215 762 G C 0.531 175.436 174.900 0.010 0.000 1.262 762 G CA 1.833 46.941 45.100 0.013 0.000 0.807 762 G HN 0.587 nan 8.290 nan 0.000 0.567 763 T N -0.047 114.517 114.554 0.015 0.000 2.724 763 T HA 0.270 4.620 4.350 0.001 0.000 0.324 763 T C -1.613 173.129 174.700 0.070 0.000 1.071 763 T CA -0.277 61.811 62.100 -0.019 0.000 1.061 763 T CB 1.391 70.312 68.868 0.088 0.000 0.990 763 T HN 0.186 nan 8.240 nan 0.000 0.543 764 P HA 0.275 nan 4.420 nan 0.000 0.248 764 P C -0.467 176.942 177.300 0.183 0.000 1.708 764 P CA -0.433 62.712 63.100 0.075 0.000 1.062 764 P CB -0.164 31.516 31.700 -0.033 0.000 1.562 765 L N 0.779 122.210 121.223 0.346 0.000 2.268 765 L HA 0.394 4.735 4.340 0.001 0.000 0.289 765 L C -0.496 176.627 176.870 0.422 0.000 1.064 765 L CA -0.658 54.392 54.840 0.350 0.000 0.824 765 L CB -0.552 41.698 42.059 0.318 0.000 1.202 765 L HN -0.136 nan 8.230 nan 0.000 0.433 766 F N 2.530 122.524 119.950 0.073 0.000 2.371 766 F HA 0.362 4.889 4.527 0.000 0.000 0.329 766 F C 0.877 176.697 175.800 0.033 0.000 1.107 766 F CA -0.689 57.344 58.000 0.054 0.000 1.137 766 F CB 1.742 40.778 39.000 0.060 0.000 1.214 766 F HN 0.385 nan 8.300 nan 0.000 0.536 767 T N 2.899 117.523 114.554 0.117 0.000 3.009 767 T HA 0.433 4.784 4.350 0.001 0.000 0.346 767 T C -1.056 173.653 174.700 0.015 0.000 1.092 767 T CA -0.559 61.575 62.100 0.057 0.000 1.080 767 T CB -0.009 68.875 68.868 0.027 0.000 1.037 767 T HN 0.260 nan 8.240 nan 0.000 0.487 768 V N 5.953 125.880 119.914 0.021 0.000 2.498 768 V HA 0.485 4.605 4.120 0.001 0.000 0.279 768 V C 0.322 176.397 176.094 -0.032 0.000 1.048 768 V CA -0.491 61.802 62.300 -0.011 0.000 0.967 768 V CB 1.246 33.015 31.823 -0.090 0.000 0.988 768 V HN 0.733 nan 8.190 nan 0.000 0.473 769 K N 3.334 123.707 120.400 -0.045 0.000 2.323 769 K HA 0.841 5.162 4.320 0.001 0.000 0.259 769 K C -0.534 175.989 176.600 -0.128 0.000 0.947 769 K CA -0.351 55.884 56.287 -0.086 0.000 0.819 769 K CB 2.230 34.668 32.500 -0.104 0.000 1.109 769 K HN 0.849 nan 8.250 nan 0.000 0.429 770 A N 2.238 124.968 122.820 -0.149 0.000 2.593 770 A HA 0.607 4.927 4.320 0.001 0.000 0.290 770 A C -1.954 175.534 177.584 -0.160 0.000 1.126 770 A CA -0.721 51.212 52.037 -0.173 0.000 0.695 770 A CB 0.783 19.764 19.000 -0.031 0.000 1.290 770 A HN 0.530 nan 8.150 nan 0.000 0.414 771 Y N -0.071 120.245 120.300 0.027 0.000 2.326 771 Y HA 0.594 5.145 4.550 0.001 0.000 0.337 771 Y C -0.242 175.651 175.900 -0.011 0.000 1.023 771 Y CA -0.849 57.270 58.100 0.032 0.000 1.143 771 Y CB 1.609 40.128 38.460 0.098 0.000 1.183 771 Y HN 0.514 nan 8.280 nan 0.000 0.485 772 L N 7.269 128.572 121.223 0.133 0.000 2.343 772 L HA 0.636 4.976 4.340 0.001 0.000 0.278 772 L C -2.833 174.031 176.870 -0.009 0.000 0.996 772 L CA -2.643 52.189 54.840 -0.012 0.000 0.831 772 L CB 1.766 43.687 42.059 -0.230 0.000 1.232 772 L HN 0.288 nan 8.230 nan 0.000 0.413 773 P HA 0.029 nan 4.420 nan 0.000 0.260 773 P C 1.091 178.335 177.300 -0.093 0.000 1.207 773 P CA 0.023 63.070 63.100 -0.087 0.000 0.780 773 P CB 0.659 32.352 31.700 -0.013 0.000 0.789 774 V N 3.687 123.439 119.914 -0.272 0.000 2.313 774 V HA -0.307 3.813 4.120 0.001 0.000 0.253 774 V C 2.067 178.144 176.094 -0.028 0.000 1.070 774 V CA 2.376 64.502 62.300 -0.289 0.000 1.057 774 V CB -1.086 30.360 31.823 -0.629 0.000 0.653 774 V HN 0.713 nan 8.190 nan 0.000 0.450 775 N N -0.110 118.607 118.700 0.028 0.000 2.575 775 N HA -0.133 4.607 4.740 0.001 0.000 0.192 775 N C 1.145 176.810 175.510 0.257 0.000 1.200 775 N CA 0.854 54.033 53.050 0.215 0.000 0.897 775 N CB 0.049 38.639 38.487 0.172 0.000 0.990 775 N HN 0.557 nan 8.380 nan 0.000 0.449 776 E N -0.237 120.067 120.200 0.174 0.000 2.601 776 E HA 0.051 4.401 4.350 0.001 0.000 0.219 776 E C 0.434 177.118 176.600 0.140 0.000 0.964 776 E CA 0.100 56.597 56.400 0.161 0.000 1.050 776 E CB 0.591 30.345 29.700 0.090 0.000 1.068 776 E HN 0.467 nan 8.360 nan 0.000 0.496 777 S N -0.267 115.489 115.700 0.092 0.000 2.634 777 S HA 0.179 4.649 4.470 0.001 0.000 0.221 777 S C 0.402 174.988 174.600 -0.023 0.000 0.952 777 S CA -0.523 57.671 58.200 -0.009 0.000 0.930 777 S CB -0.594 62.593 63.200 -0.022 0.000 0.780 777 S HN -0.038 nan 8.310 nan 0.000 0.498 778 F N 2.849 122.868 119.950 0.115 0.000 2.494 778 F HA 0.494 5.022 4.527 0.001 0.000 0.369 778 F C 1.659 177.519 175.800 0.101 0.000 1.098 778 F CA 0.670 58.728 58.000 0.096 0.000 1.154 778 F CB 0.307 39.350 39.000 0.072 0.000 1.103 778 F HN 0.350 nan 8.300 nan 0.000 0.549 779 G N 3.200 112.103 108.800 0.172 0.000 2.143 779 G HA2 -0.390 3.571 3.960 0.001 0.000 0.248 779 G HA3 -0.390 3.571 3.960 0.001 0.000 0.248 779 G C 0.932 175.905 174.900 0.122 0.000 0.991 779 G CA 0.285 45.458 45.100 0.122 0.000 0.689 779 G HN 0.618 nan 8.290 nan 0.000 0.522 780 F N 1.782 121.721 119.950 -0.017 0.000 2.043 780 F HA -0.119 4.409 4.527 0.001 0.000 0.297 780 F C 2.705 178.477 175.800 -0.045 0.000 1.121 780 F CA 2.933 60.917 58.000 -0.027 0.000 1.199 780 F CB -0.808 38.159 39.000 -0.056 0.000 0.968 780 F HN 0.174 nan 8.300 nan 0.000 0.478 781 T N 0.064 114.579 114.554 -0.064 0.000 2.685 781 T HA -0.209 4.141 4.350 0.001 0.000 0.268 781 T C 2.124 176.729 174.700 -0.159 0.000 1.034 781 T CA 1.552 63.550 62.100 -0.169 0.000 1.149 781 T CB -1.328 67.479 68.868 -0.103 0.000 0.860 781 T HN 0.503 nan 8.240 nan 0.000 0.449 782 G N 1.166 109.911 108.800 -0.093 0.000 2.446 782 G HA2 -0.215 3.746 3.960 0.001 0.000 0.217 782 G HA3 -0.215 3.746 3.960 0.001 0.000 0.217 782 G C 1.467 176.314 174.900 -0.088 0.000 1.168 782 G CA 0.754 45.816 45.100 -0.064 0.000 0.771 782 G HN 0.536 nan 8.290 nan 0.000 0.551 783 E N -0.402 119.725 120.200 -0.122 0.000 2.152 783 E HA -0.003 4.347 4.350 0.001 0.000 0.192 783 E C 2.339 178.813 176.600 -0.211 0.000 0.983 783 E CA 0.241 56.563 56.400 -0.130 0.000 0.818 783 E CB -0.096 29.552 29.700 -0.088 0.000 0.758 783 E HN 0.323 nan 8.360 nan 0.000 0.467 784 L N 1.392 122.389 121.223 -0.377 0.000 2.201 784 L HA -0.117 4.224 4.340 0.001 0.000 0.212 784 L C 2.231 178.979 176.870 -0.204 0.000 1.105 784 L CA 1.408 56.014 54.840 -0.391 0.000 0.775 784 L CB -0.354 41.345 42.059 -0.600 0.000 0.913 784 L HN -0.095 nan 8.230 nan 0.000 0.440 785 R N -0.152 120.256 120.500 -0.154 0.000 2.127 785 R HA -0.261 4.080 4.340 0.001 0.000 0.228 785 R C 2.391 178.655 176.300 -0.060 0.000 1.125 785 R CA 2.418 58.471 56.100 -0.079 0.000 0.904 785 R CB -0.955 29.316 30.300 -0.047 0.000 0.831 785 R HN 0.566 nan 8.270 nan 0.000 0.431 786 Q N -0.530 119.239 119.800 -0.051 0.000 2.062 786 Q HA -0.285 4.055 4.340 0.001 0.000 0.209 786 Q C 1.915 177.894 176.000 -0.036 0.000 0.996 786 Q CA 2.549 58.332 55.803 -0.033 0.000 0.859 786 Q CB -0.428 28.295 28.738 -0.026 0.000 0.920 786 Q HN 0.514 nan 8.270 nan 0.000 0.415 787 A N 0.311 123.099 122.820 -0.053 0.000 1.852 787 A HA -0.222 4.098 4.320 0.001 0.000 0.217 787 A C 2.018 179.580 177.584 -0.038 0.000 1.215 787 A CA 2.480 54.490 52.037 -0.046 0.000 0.641 787 A CB -1.413 17.546 19.000 -0.069 0.000 0.838 787 A HN 0.671 nan 8.150 nan 0.000 0.450 788 T N -3.119 111.404 114.554 -0.053 0.000 3.327 788 T HA 0.441 4.791 4.350 0.001 0.000 0.241 788 T C 1.037 175.722 174.700 -0.025 0.000 0.907 788 T CA 0.741 62.818 62.100 -0.038 0.000 0.931 788 T CB -0.665 68.174 68.868 -0.048 0.000 1.112 788 T HN 1.764 nan 8.240 nan 0.000 0.589 789 G N 0.887 109.675 108.800 -0.020 0.000 2.380 789 G HA2 -0.060 3.900 3.960 0.001 0.000 0.298 789 G HA3 -0.060 3.900 3.960 0.001 0.000 0.298 789 G C 1.206 176.100 174.900 -0.010 0.000 0.989 789 G CA 0.323 45.417 45.100 -0.011 0.000 0.836 789 G HN 1.884 nan 8.290 nan 0.000 0.511 790 G N -1.618 107.172 108.800 -0.016 0.000 2.175 790 G HA2 -0.380 3.580 3.960 0.001 0.000 0.265 790 G HA3 -0.380 3.580 3.960 0.001 0.000 0.265 790 G C 1.023 175.924 174.900 0.000 0.000 0.979 790 G CA 1.371 46.466 45.100 -0.009 0.000 0.663 790 G HN 0.869 nan 8.290 nan 0.000 0.533 791 Q N -0.192 119.606 119.800 -0.004 0.000 2.331 791 Q HA 0.430 4.771 4.340 0.001 0.000 0.203 791 Q C 1.732 177.741 176.000 0.014 0.000 0.944 791 Q CA 0.628 56.430 55.803 -0.002 0.000 0.892 791 Q CB 0.212 28.947 28.738 -0.004 0.000 0.983 791 Q HN 0.850 nan 8.270 nan 0.000 0.482 792 A N 1.041 123.868 122.820 0.013 0.000 2.450 792 A HA 0.201 4.521 4.320 0.001 0.000 0.255 792 A C -0.841 176.804 177.584 0.101 0.000 1.096 792 A CA -0.057 51.998 52.037 0.030 0.000 0.778 792 A CB -0.058 18.925 19.000 -0.029 0.000 1.031 792 A HN 0.286 nan 8.150 nan 0.000 0.494 793 F N 5.289 125.205 119.950 -0.056 0.000 2.310 793 F HA 0.455 4.982 4.527 0.001 0.000 0.365 793 F C -2.379 173.403 175.800 -0.031 0.000 1.080 793 F CA -2.790 55.183 58.000 -0.046 0.000 1.187 793 F CB 1.026 39.996 39.000 -0.050 0.000 1.465 793 F HN 0.320 nan 8.300 nan 0.000 0.496 794 P HA 0.130 nan 4.420 nan 0.000 0.269 794 P C -1.399 175.687 177.300 -0.357 0.000 1.215 794 P CA 0.017 62.980 63.100 -0.228 0.000 0.780 794 P CB 0.575 32.183 31.700 -0.155 0.000 0.898 795 Q N 1.418 121.096 119.800 -0.204 0.000 2.443 795 Q HA 0.443 4.783 4.340 0.001 0.000 0.241 795 Q C -1.571 174.336 176.000 -0.154 0.000 0.880 795 Q CA -0.388 55.299 55.803 -0.194 0.000 0.974 795 Q CB 0.845 29.504 28.738 -0.132 0.000 1.482 795 Q HN 0.453 nan 8.270 nan 0.000 0.448 796 M N 1.240 120.711 119.600 -0.216 0.000 2.501 796 M HA 0.855 5.336 4.480 0.001 0.000 0.293 796 M C -1.688 174.447 176.300 -0.275 0.000 1.192 796 M CA -1.079 54.052 55.300 -0.281 0.000 0.886 796 M CB 2.367 34.663 32.600 -0.507 0.000 1.710 796 M HN 0.281 nan 8.290 nan 0.000 0.457 797 V N 2.087 121.934 119.914 -0.111 0.000 3.078 797 V HA 0.628 4.748 4.120 0.001 0.000 0.311 797 V C -1.491 174.819 176.094 0.360 0.000 1.138 797 V CA -0.699 61.641 62.300 0.067 0.000 1.007 797 V CB 2.618 34.466 31.823 0.042 0.000 1.045 797 V HN 0.817 nan 8.190 nan 0.000 0.432 798 F N 3.530 123.650 119.950 0.282 0.000 2.529 798 F HA 0.321 4.848 4.527 0.001 0.000 0.365 798 F C 0.648 176.440 175.800 -0.013 0.000 1.102 798 F CA 0.921 58.974 58.000 0.089 0.000 1.271 798 F CB 1.170 40.108 39.000 -0.103 0.000 1.120 798 F HN 0.793 nan 8.300 nan 0.000 0.579 799 D N 1.917 121.628 120.400 -1.148 0.000 3.084 799 D HA 0.129 4.769 4.640 0.001 0.000 0.294 799 D C -0.570 175.146 176.300 -0.973 0.000 1.165 799 D CA 1.020 54.561 54.000 -0.765 0.000 1.008 799 D CB 0.260 40.976 40.800 -0.140 0.000 1.266 799 D HN 0.759 nan 8.370 nan 0.000 0.449 800 H N -3.864 114.484 119.070 -1.205 0.000 2.905 800 H HA 0.531 5.088 4.556 0.001 0.000 0.280 800 H C -1.720 173.246 175.328 -0.602 0.000 1.445 800 H CA -1.293 54.312 56.048 -0.737 0.000 1.165 800 H CB 0.247 29.761 29.762 -0.413 0.000 1.857 800 H HN -0.037 nan 8.280 nan 0.000 0.567 801 W N 0.576 121.818 121.300 -0.097 0.000 2.520 801 W HA 0.623 5.284 4.660 0.001 0.000 0.323 801 W C -0.178 176.348 176.519 0.012 0.000 1.062 801 W CA -0.872 56.447 57.345 -0.043 0.000 1.215 801 W CB 2.266 31.774 29.460 0.080 0.000 1.340 801 W HN 0.590 nan 8.180 nan 0.000 0.516 802 S N 1.716 117.529 115.700 0.189 0.000 2.449 802 S HA 0.480 4.951 4.470 0.001 0.000 0.310 802 S C -0.363 174.353 174.600 0.192 0.000 1.096 802 S CA -0.509 57.790 58.200 0.166 0.000 1.095 802 S CB 0.612 63.860 63.200 0.081 0.000 1.007 802 S HN 0.325 nan 8.310 nan 0.000 0.474 803 T N 6.525 121.176 114.554 0.161 0.000 2.737 803 T HA 0.281 4.631 4.350 0.001 0.000 0.296 803 T C 0.255 175.021 174.700 0.111 0.000 0.922 803 T CA -0.289 61.892 62.100 0.136 0.000 1.079 803 T CB -0.136 68.792 68.868 0.101 0.000 0.892 803 T HN 0.531 nan 8.240 nan 0.000 0.514 804 L N 2.757 124.051 121.223 0.117 0.000 2.456 804 L HA 0.246 4.587 4.340 0.001 0.000 0.272 804 L C 1.783 178.688 176.870 0.058 0.000 1.189 804 L CA -0.243 54.650 54.840 0.088 0.000 0.846 804 L CB 0.189 42.297 42.059 0.083 0.000 1.111 804 L HN 0.805 nan 8.230 nan 0.000 0.475 805 G N 1.320 110.148 108.800 0.046 0.000 2.494 805 G HA2 -0.098 3.862 3.960 0.001 0.000 0.216 805 G HA3 -0.098 3.862 3.960 0.001 0.000 0.216 805 G C 0.800 175.712 174.900 0.019 0.000 1.140 805 G CA 0.274 45.393 45.100 0.031 0.000 0.801 805 G HN 0.678 nan 8.290 nan 0.000 0.536 806 S N 0.424 116.135 115.700 0.017 0.000 2.585 806 S HA 0.259 4.730 4.470 0.001 0.000 0.273 806 S C -0.386 174.212 174.600 -0.004 0.000 1.339 806 S CA -0.580 57.622 58.200 0.004 0.000 1.028 806 S CB 1.697 64.896 63.200 -0.002 0.000 0.906 806 S HN 0.134 nan 8.310 nan 0.000 0.528 807 D N 1.731 122.126 120.400 -0.009 0.000 2.351 807 D HA 0.254 4.895 4.640 0.001 0.000 0.251 807 D C -1.227 175.055 176.300 -0.030 0.000 1.137 807 D CA -2.271 51.721 54.000 -0.012 0.000 0.879 807 D CB 1.110 41.905 40.800 -0.007 0.000 1.181 807 D HN 0.291 nan 8.370 nan 0.000 0.448 808 P HA -0.021 nan 4.420 nan 0.000 0.241 808 P C 1.099 178.363 177.300 -0.060 0.000 1.191 808 P CA 0.500 63.555 63.100 -0.074 0.000 0.771 808 P CB 0.319 31.986 31.700 -0.056 0.000 0.929 809 L N -0.786 120.425 121.223 -0.020 0.000 2.477 809 L HA 0.164 4.505 4.340 0.001 0.000 0.220 809 L C 0.945 177.807 176.870 -0.015 0.000 1.106 809 L CA 0.278 55.115 54.840 -0.005 0.000 0.851 809 L CB -0.523 41.551 42.059 0.025 0.000 0.994 809 L HN -0.063 nan 8.230 nan 0.000 0.462 810 D N 0.949 121.336 120.400 -0.022 0.000 2.411 810 D HA 0.155 4.795 4.640 0.001 0.000 0.225 810 D C -1.695 174.584 176.300 -0.036 0.000 1.156 810 D CA -2.196 51.791 54.000 -0.022 0.000 0.874 810 D CB 1.532 42.323 40.800 -0.015 0.000 1.034 810 D HN -0.186 nan 8.370 nan 0.000 0.502 811 P HA -0.217 nan 4.420 nan 0.000 0.217 811 P C 1.336 178.612 177.300 -0.040 0.000 1.158 811 P CA 1.482 64.556 63.100 -0.042 0.000 0.887 811 P CB 0.144 31.826 31.700 -0.030 0.000 0.792 812 T N -1.155 113.382 114.554 -0.028 0.000 2.915 812 T HA -0.051 4.299 4.350 0.001 0.000 0.269 812 T C 1.065 175.751 174.700 -0.023 0.000 1.071 812 T CA 0.842 62.928 62.100 -0.022 0.000 1.132 812 T CB -0.822 68.038 68.868 -0.014 0.000 0.878 812 T HN 0.260 nan 8.240 nan 0.000 0.479 813 S N 0.147 115.831 115.700 -0.027 0.000 2.612 813 S HA 0.137 4.607 4.470 0.001 0.000 0.253 813 S C 1.263 175.844 174.600 -0.033 0.000 1.346 813 S CA -0.220 57.965 58.200 -0.025 0.000 0.976 813 S CB 0.493 63.678 63.200 -0.025 0.000 0.949 813 S HN 0.477 nan 8.310 nan 0.000 0.584 814 K N 0.595 120.980 120.400 -0.024 0.000 2.025 814 K HA -0.017 4.303 4.320 0.001 0.000 0.207 814 K C 2.530 179.097 176.600 -0.056 0.000 1.049 814 K CA 1.313 57.586 56.287 -0.023 0.000 0.933 814 K CB -0.706 31.795 32.500 0.001 0.000 0.714 814 K HN 0.705 nan 8.250 nan 0.000 0.438 815 A N 1.120 123.900 122.820 -0.067 0.000 1.897 815 A HA -0.045 4.276 4.320 0.001 0.000 0.215 815 A C 2.416 179.881 177.584 -0.197 0.000 1.181 815 A CA 1.723 53.681 52.037 -0.131 0.000 0.620 815 A CB -1.152 17.792 19.000 -0.094 0.000 0.821 815 A HN 0.419 nan 8.150 nan 0.000 0.443 816 G N -0.391 108.326 108.800 -0.138 0.000 2.450 816 G HA2 -0.275 3.685 3.960 0.001 0.000 0.220 816 G HA3 -0.275 3.685 3.960 0.001 0.000 0.220 816 G C 1.424 176.231 174.900 -0.155 0.000 1.130 816 G CA 1.204 46.217 45.100 -0.145 0.000 0.760 816 G HN 0.689 nan 8.290 nan 0.000 0.557 817 E N 0.103 120.229 120.200 -0.124 0.000 2.051 817 E HA -0.107 4.243 4.350 0.001 0.000 0.192 817 E C 2.486 178.998 176.600 -0.146 0.000 0.991 817 E CA 0.847 57.185 56.400 -0.103 0.000 0.799 817 E CB -0.203 29.458 29.700 -0.065 0.000 0.748 817 E HN 0.511 nan 8.360 nan 0.000 0.449 818 I N 0.488 120.935 120.570 -0.205 0.000 2.163 818 I HA -0.283 3.888 4.170 0.001 0.000 0.243 818 I C 2.414 178.285 176.117 -0.410 0.000 1.085 818 I CA 0.891 62.019 61.300 -0.287 0.000 1.347 818 I CB -0.321 37.407 38.000 -0.453 0.000 1.044 818 I HN 0.100 nan 8.210 nan 0.000 0.408 819 V N 1.237 120.799 119.914 -0.587 0.000 2.295 819 V HA -0.282 3.839 4.120 0.001 0.000 0.246 819 V C 2.463 178.371 176.094 -0.309 0.000 1.049 819 V CA 2.080 63.932 62.300 -0.747 0.000 1.024 819 V CB -0.715 30.727 31.823 -0.636 0.000 0.648 819 V HN 0.455 nan 8.190 nan 0.000 0.447 820 L N 1.319 122.424 121.223 -0.197 0.000 2.012 820 L HA -0.086 4.254 4.340 0.001 0.000 0.210 820 L C 2.417 179.254 176.870 -0.055 0.000 1.073 820 L CA 2.664 57.448 54.840 -0.093 0.000 0.748 820 L CB -1.080 40.933 42.059 -0.077 0.000 0.891 820 L HN 0.151 nan 8.230 nan 0.000 0.431 821 A N -0.057 122.723 122.820 -0.067 0.000 1.902 821 A HA -0.066 4.255 4.320 0.001 0.000 0.217 821 A C 2.501 180.085 177.584 -0.002 0.000 1.181 821 A CA 2.109 54.125 52.037 -0.034 0.000 0.623 821 A CB -1.327 17.650 19.000 -0.037 0.000 0.818 821 A HN 0.698 nan 8.150 nan 0.000 0.443 822 A N -0.451 122.388 122.820 0.033 0.000 1.873 822 A HA -0.144 4.177 4.320 0.001 0.000 0.215 822 A C 2.239 179.959 177.584 0.227 0.000 1.186 822 A CA 1.479 53.615 52.037 0.165 0.000 0.616 822 A CB -0.516 18.747 19.000 0.439 0.000 0.823 822 A HN 0.520 nan 8.150 nan 0.000 0.442 823 R N 0.006 120.631 120.500 0.208 0.000 2.096 823 R HA -0.193 4.148 4.340 0.001 0.000 0.240 823 R C 2.267 178.649 176.300 0.137 0.000 1.139 823 R CA 2.021 58.244 56.100 0.204 0.000 0.952 823 R CB -0.357 30.008 30.300 0.109 0.000 0.854 823 R HN 0.584 nan 8.270 nan 0.000 0.436 824 K N 0.017 120.455 120.400 0.063 0.000 2.009 824 K HA -0.207 4.113 4.320 0.001 0.000 0.210 824 K C 2.203 178.809 176.600 0.010 0.000 1.049 824 K CA 1.395 57.700 56.287 0.030 0.000 0.929 824 K CB -0.328 32.175 32.500 0.005 0.000 0.714 824 K HN 0.123 nan 8.250 nan 0.000 0.440 825 R N 0.803 121.281 120.500 -0.037 0.000 2.119 825 R HA -0.181 4.159 4.340 0.001 0.000 0.246 825 R C 1.975 178.182 176.300 -0.155 0.000 1.146 825 R CA 1.597 57.621 56.100 -0.126 0.000 0.962 825 R CB -0.154 30.021 30.300 -0.209 0.000 0.863 825 R HN 0.383 nan 8.270 nan 0.000 0.442 826 H N -1.138 117.961 119.070 0.048 0.000 2.556 826 H HA 0.104 4.661 4.556 0.001 0.000 0.268 826 H C 0.931 176.278 175.328 0.032 0.000 0.996 826 H CA 0.971 57.044 56.048 0.041 0.000 1.157 826 H CB 0.377 30.175 29.762 0.060 0.000 1.355 826 H HN 0.576 nan 8.280 nan 0.000 0.597 827 G N 1.432 110.297 108.800 0.109 0.000 2.246 827 G HA2 -0.296 3.665 3.960 0.001 0.000 0.273 827 G HA3 -0.296 3.665 3.960 0.001 0.000 0.273 827 G C 0.212 175.162 174.900 0.084 0.000 1.055 827 G CA 0.512 45.657 45.100 0.073 0.000 0.851 827 G HN 0.275 nan 8.290 nan 0.000 0.500 828 M N -1.059 118.605 119.600 0.106 0.000 2.494 828 M HA 0.495 4.976 4.480 0.001 0.000 0.300 828 M C 0.712 177.052 176.300 0.067 0.000 1.189 828 M CA -0.892 54.463 55.300 0.092 0.000 0.982 828 M CB 0.955 33.622 32.600 0.113 0.000 1.534 828 M HN 0.055 nan 8.290 nan 0.000 0.488 829 K N 1.308 121.741 120.400 0.055 0.000 2.472 829 K HA -0.050 4.271 4.320 0.001 0.000 0.280 829 K C 0.586 177.209 176.600 0.037 0.000 1.028 829 K CA 0.301 56.610 56.287 0.037 0.000 1.045 829 K CB 0.481 32.998 32.500 0.028 0.000 0.902 829 K HN 0.604 nan 8.250 nan 0.000 0.478 830 E N 1.865 122.081 120.200 0.025 0.000 2.171 830 E HA -0.233 4.118 4.350 0.001 0.000 0.197 830 E C 0.105 176.711 176.600 0.012 0.000 0.997 830 E CA 1.139 57.550 56.400 0.018 0.000 0.810 830 E CB 0.087 29.791 29.700 0.007 0.000 0.738 830 E HN 0.477 nan 8.360 nan 0.000 0.467 831 E N 0.393 120.600 120.200 0.012 0.000 2.277 831 E HA 0.151 4.502 4.350 0.001 0.000 0.274 831 E C -1.085 175.528 176.600 0.022 0.000 1.022 831 E CA -0.505 55.900 56.400 0.009 0.000 0.853 831 E CB 1.389 31.091 29.700 0.002 0.000 1.086 831 E HN -0.246 nan 8.360 nan 0.000 0.397 832 V N 5.998 125.928 119.914 0.026 0.000 2.508 832 V HA 0.238 4.358 4.120 0.001 0.000 0.281 832 V C -1.923 174.209 176.094 0.062 0.000 1.041 832 V CA -1.446 60.884 62.300 0.050 0.000 1.016 832 V CB 0.666 32.520 31.823 0.052 0.000 0.984 832 V HN 0.769 nan 8.190 nan 0.000 0.478 833 P HA 0.158 nan 4.420 nan 0.000 0.265 833 P C 0.413 177.781 177.300 0.114 0.000 1.193 833 P CA 0.358 63.500 63.100 0.069 0.000 0.765 833 P CB 0.435 32.197 31.700 0.104 0.000 0.823 834 G N 2.777 111.593 108.800 0.026 0.000 2.606 834 G HA2 0.056 4.017 3.960 0.001 0.000 0.252 834 G HA3 0.056 4.017 3.960 0.001 0.000 0.252 834 G C 0.925 175.893 174.900 0.114 0.000 1.206 834 G CA -0.653 44.474 45.100 0.045 0.000 0.861 834 G HN 0.722 nan 8.290 nan 0.000 0.561 835 W N 0.275 121.654 121.300 0.133 0.000 2.350 835 W HA -0.145 4.515 4.660 0.001 0.000 0.289 835 W C 1.481 178.104 176.519 0.172 0.000 1.215 835 W CA 0.932 58.402 57.345 0.209 0.000 1.236 835 W CB -0.730 28.814 29.460 0.139 0.000 1.130 835 W HN 0.515 nan 8.180 nan 0.000 0.541 836 Q N 1.313 120.680 119.800 -0.723 0.000 2.197 836 Q HA -0.229 4.111 4.340 0.001 0.000 0.207 836 Q C 1.961 177.813 176.000 -0.247 0.000 0.984 836 Q CA 2.641 58.032 55.803 -0.687 0.000 0.869 836 Q CB -0.612 27.665 28.738 -0.768 0.000 0.906 836 Q HN 0.356 nan 8.270 nan 0.000 0.426 837 E N -1.225 118.817 120.200 -0.263 0.000 2.153 837 E HA -0.165 4.186 4.350 0.001 0.000 0.194 837 E C 0.825 177.191 176.600 -0.389 0.000 0.988 837 E CA 1.089 57.263 56.400 -0.376 0.000 0.811 837 E CB 0.047 29.395 29.700 -0.586 0.000 0.746 837 E HN 0.542 nan 8.360 nan 0.000 0.466 838 Y N -2.424 117.946 120.300 0.118 0.000 2.458 838 Y HA 0.146 4.696 4.550 0.001 0.000 0.254 838 Y C 0.486 176.486 175.900 0.167 0.000 1.120 838 Y CA -0.524 57.659 58.100 0.139 0.000 1.282 838 Y CB 0.173 38.755 38.460 0.203 0.000 1.109 838 Y HN -0.017 nan 8.280 nan 0.000 0.526 839 Y N 1.677 122.092 120.300 0.191 0.000 2.258 839 Y HA 0.100 4.651 4.550 0.001 0.000 0.345 839 Y C 0.670 176.605 175.900 0.058 0.000 1.303 839 Y CA -0.909 57.297 58.100 0.176 0.000 1.537 839 Y CB 0.330 38.938 38.460 0.247 0.000 1.383 839 Y HN -0.054 nan 8.280 nan 0.000 0.606 840 D N 1.737 121.993 120.400 -0.239 0.000 2.443 840 D HA 0.004 4.644 4.640 0.001 0.000 0.239 840 D C -0.670 175.665 176.300 0.059 0.000 1.136 840 D CA 0.157 54.079 54.000 -0.130 0.000 0.879 840 D CB 0.647 41.296 40.800 -0.252 0.000 1.195 840 D HN 0.280 nan 8.370 nan 0.000 0.443 841 K N 3.725 124.133 120.400 0.012 0.000 2.502 841 K HA 0.160 4.481 4.320 0.001 0.000 0.244 841 K C -0.465 176.149 176.600 0.023 0.000 1.249 841 K CA -0.371 55.925 56.287 0.015 0.000 1.193 841 K CB -0.318 32.170 32.500 -0.019 0.000 1.674 841 K HN 0.302 nan 8.250 nan 0.000 0.302 842 L N 0.000 121.265 121.223 0.070 0.000 2.949 842 L HA 0.000 4.340 4.340 0.001 0.000 0.249 842 L CA 0.000 54.881 54.840 0.069 0.000 0.813 842 L CB 0.000 42.123 42.059 0.106 0.000 0.961 842 L HN 0.000 nan 8.230 nan 0.000 0.502