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 2bki_1_A DATA FIRST_RESID 2 DATA SEQUENCE EDGKPVWAPH PTDGFQVGNI VDIGPDSLTI EPLNQKGKTF LALINQVFPA DATA SEQUENCE EEDSKKDVED NCSLMYLNEA TLLHNIKVRY SKDRIYTYVA NILIAVNPYF DATA SEQUENCE DIPKIYSSET IKSYQGKSLG TMPPHVFAIA DKAFRDMKVL KLSQSIIVSG DATA SEQUENCE ESGAGKTENT KFVLRYLTES YGTGQDIDDR IVEANPLLEA FGNAKTVRNN DATA SEQUENCE NSSRFGKFVE IHFNEKSSVV GGFVSHYLLE KSRICVQGKE ERNYHIFYRL DATA SEQUENCE CAGASEDIRE RLHLSSPDNF RYLNRGCTRY FANKETDKQI LQNRKSPEYL DATA SEQUENCE KAGSLKDPLL DDHGDFIRMC TAMKKIGLDD EEKLDLFRVV AGVLHLGNID DATA SEQUENCE FEEAGSTSGG CNLKNKSTQA LEYCAELLGL DQDDLRVSLT TRVMLTTAGG DATA SEQUENCE AKGTVIKVPL KVEQANNARD ALAKTVYSHL FDHVVNRVNQ CFPFETSSYF DATA SEQUENCE IGVLDIAGFE YFEHNSFEQF CINYCNEKLQ QFFNERILKE EQELYQKEGL DATA SEQUENCE GVNEVHYVDN QDCIDLIEAR LVGILDILDE ENRLPQPSDQ HFTSAVHQKH DATA SEQUENCE KDHFRLSIPR KSKLAIHRNI RDDEGFIIRH FAGAVCYETT QFVEKNNDAL DATA SEQUENCE HMSLESLICE SRDKFIRELF ESSTNNNKDT KQKAGKLSFI SVGNKFKTQL DATA SEQUENCE NLLLDKLRST GASFIRCIKP NLKMTSHHFE GAQILSQLQC SGMVSVLDLM DATA SEQUENCE QGGFPSRASF HELYNMYKKY MPDKLARLDP RLFCKALFKA LGLNEIDYKF DATA SEQUENCE GLTKVFFRPG KFAEFDQIMK SDPDHLAELV KRVNHWLICS RWKKVQWCSL DATA SEQUENCE SVIKLKNKIK YRAEACIKMQ KTIR 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 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.594 176.600 -0.010 0.000 1.382 2 E CA 0.000 56.390 56.400 -0.016 0.000 0.976 2 E CB 0.000 29.692 29.700 -0.013 0.000 0.812 3 D N -1.732 118.655 120.400 -0.022 0.000 3.222 3 D HA 0.580 5.220 4.640 0.001 0.000 0.198 3 D C 1.301 177.585 176.300 -0.026 0.000 1.360 3 D CA 1.164 55.153 54.000 -0.019 0.000 1.388 3 D CB -0.878 39.919 40.800 -0.005 0.000 1.213 3 D HN 2.023 nan 8.370 nan 0.000 0.717 4 G N 0.219 108.996 108.800 -0.038 0.000 2.268 4 G HA2 -0.187 3.774 3.960 0.001 0.000 0.240 4 G HA3 -0.187 3.774 3.960 0.001 0.000 0.240 4 G C 0.778 175.646 174.900 -0.055 0.000 1.010 4 G CA 0.596 45.670 45.100 -0.043 0.000 0.618 4 G HN 0.918 nan 8.290 nan 0.000 0.516 5 K N 1.967 122.333 120.400 -0.056 0.000 2.258 5 K HA 0.529 4.850 4.320 0.001 0.000 0.264 5 K C -1.883 174.651 176.600 -0.110 0.000 1.007 5 K CA -1.226 55.018 56.287 -0.071 0.000 0.941 5 K CB 0.393 32.862 32.500 -0.052 0.000 0.966 5 K HN 0.185 nan 8.250 nan 0.000 0.480 6 P HA 0.050 nan 4.420 nan 0.000 0.271 6 P C -1.113 176.030 177.300 -0.262 0.000 1.233 6 P CA -0.495 62.483 63.100 -0.203 0.000 0.789 6 P CB 0.630 32.181 31.700 -0.248 0.000 0.951 7 V N -3.397 116.341 119.914 -0.294 0.000 3.182 7 V HA 0.629 4.749 4.120 0.001 0.000 0.308 7 V C -1.658 174.249 176.094 -0.312 0.000 1.240 7 V CA -1.247 60.894 62.300 -0.264 0.000 1.063 7 V CB 1.718 33.471 31.823 -0.117 0.000 1.076 7 V HN 0.463 nan 8.190 nan 0.000 0.446 8 W N 0.389 121.705 121.300 0.028 0.000 2.520 8 W HA 0.875 5.536 4.660 0.001 0.000 0.323 8 W C 0.102 176.776 176.519 0.258 0.000 1.062 8 W CA -0.024 57.394 57.345 0.122 0.000 1.215 8 W CB 2.176 31.622 29.460 -0.023 0.000 1.340 8 W HN 1.052 nan 8.180 nan 0.000 0.516 9 A N 3.816 127.079 122.820 0.739 0.000 2.566 9 A HA 0.800 5.121 4.320 0.001 0.000 0.292 9 A C -2.890 175.089 177.584 0.657 0.000 1.112 9 A CA -1.896 50.518 52.037 0.629 0.000 0.707 9 A CB 1.130 20.393 19.000 0.439 0.000 1.302 9 A HN 0.332 nan 8.150 nan 0.000 0.409 10 P HA 0.290 nan 4.420 nan 0.000 0.266 10 P C -0.972 176.424 177.300 0.159 0.000 1.193 10 P CA 0.871 64.072 63.100 0.167 0.000 0.770 10 P CB 0.230 32.031 31.700 0.168 0.000 0.836 11 H N 2.821 121.832 119.070 -0.099 0.000 2.966 11 H HA 0.317 4.874 4.556 0.001 0.000 0.347 11 H C -2.246 173.013 175.328 -0.114 0.000 1.048 11 H CA -2.204 53.780 56.048 -0.106 0.000 1.295 11 H CB 1.235 30.991 29.762 -0.011 0.000 1.744 11 H HN 0.141 nan 8.280 nan 0.000 0.513 12 P HA -0.120 nan 4.420 nan 0.000 0.218 12 P C 0.921 178.027 177.300 -0.323 0.000 1.148 12 P CA 2.264 65.207 63.100 -0.261 0.000 0.822 12 P CB 0.411 31.994 31.700 -0.195 0.000 0.784 13 T N -7.027 107.200 114.554 -0.546 0.000 2.971 13 T HA 0.137 4.488 4.350 0.001 0.000 0.252 13 T C 1.010 175.583 174.700 -0.212 0.000 1.022 13 T CA 0.071 61.974 62.100 -0.328 0.000 0.980 13 T CB -0.221 68.487 68.868 -0.267 0.000 1.044 13 T HN -0.136 nan 8.240 nan 0.000 0.501 14 D N 0.601 120.871 120.400 -0.217 0.000 2.398 14 D HA 0.350 4.991 4.640 0.001 0.000 0.210 14 D C 1.793 178.123 176.300 0.050 0.000 1.094 14 D CA 0.869 54.902 54.000 0.056 0.000 0.839 14 D CB 0.650 41.625 40.800 0.291 0.000 0.963 14 D HN 0.537 nan 8.370 nan 0.000 0.506 15 G N 0.701 109.446 108.800 -0.091 0.000 4.039 15 G HA2 -0.291 3.670 3.960 0.001 0.000 0.220 15 G HA3 -0.291 3.670 3.960 0.001 0.000 0.220 15 G C 0.117 174.724 174.900 -0.490 0.000 1.391 15 G CA 0.146 45.081 45.100 -0.276 0.000 0.920 15 G HN 0.268 nan 8.290 nan 0.000 0.599 16 F N 1.992 122.041 119.950 0.166 0.000 2.565 16 F HA 0.694 5.221 4.527 0.001 0.000 0.313 16 F C 0.236 176.292 175.800 0.427 0.000 1.091 16 F CA -0.312 57.852 58.000 0.272 0.000 0.915 16 F CB 2.171 41.231 39.000 0.101 0.000 1.208 16 F HN 0.585 nan 8.300 nan 0.000 0.453 17 Q N 1.257 121.478 119.800 0.701 0.000 2.433 17 Q HA 0.773 5.114 4.340 0.001 0.000 0.279 17 Q C -1.237 175.033 176.000 0.449 0.000 1.105 17 Q CA -1.258 54.865 55.803 0.534 0.000 0.815 17 Q CB 2.538 31.353 28.738 0.128 0.000 1.403 17 Q HN 0.608 nan 8.270 nan 0.000 0.435 18 V N -1.124 118.875 119.914 0.141 0.000 2.775 18 V HA 0.914 5.035 4.120 0.001 0.000 0.299 18 V C 0.152 176.218 176.094 -0.046 0.000 1.062 18 V CA 0.814 63.004 62.300 -0.184 0.000 1.063 18 V CB 0.537 32.152 31.823 -0.347 0.000 0.994 18 V HN 1.022 nan 8.190 nan 0.000 0.483 19 G N 2.968 111.711 108.800 -0.095 0.000 2.550 19 G HA2 0.548 4.509 3.960 0.001 0.000 0.293 19 G HA3 0.548 4.509 3.960 0.001 0.000 0.293 19 G C -1.843 173.003 174.900 -0.089 0.000 1.402 19 G CA -1.117 43.959 45.100 -0.041 0.000 0.784 19 G HN 0.877 nan 8.290 nan 0.000 0.482 20 N N -1.150 117.503 118.700 -0.078 0.000 2.240 20 N HA 0.542 5.283 4.740 0.001 0.000 0.302 20 N C -0.718 174.734 175.510 -0.096 0.000 1.106 20 N CA -0.683 52.315 53.050 -0.088 0.000 0.778 20 N CB 2.638 41.081 38.487 -0.073 0.000 1.431 20 N HN 0.397 nan 8.380 nan 0.000 0.479 21 I N 2.434 122.947 120.570 -0.093 0.000 2.329 21 I HA 0.007 4.177 4.170 0.001 0.000 0.295 21 I C 1.421 177.490 176.117 -0.080 0.000 1.109 21 I CA -0.242 61.001 61.300 -0.096 0.000 1.297 21 I CB 0.288 38.237 38.000 -0.086 0.000 1.433 21 I HN 0.532 nan 8.210 nan 0.000 0.509 22 V N 1.231 121.094 119.914 -0.084 0.000 2.725 22 V HA 0.182 4.303 4.120 0.001 0.000 0.247 22 V C 0.531 176.591 176.094 -0.057 0.000 1.058 22 V CA 1.018 63.279 62.300 -0.065 0.000 1.080 22 V CB -0.070 31.717 31.823 -0.059 0.000 0.713 22 V HN 0.606 nan 8.190 nan 0.000 0.465 23 D N -1.607 118.753 120.400 -0.067 0.000 2.559 23 D HA 0.646 5.287 4.640 0.001 0.000 0.250 23 D C -1.286 174.979 176.300 -0.059 0.000 1.135 23 D CA -0.529 53.438 54.000 -0.055 0.000 0.955 23 D CB 2.849 43.620 40.800 -0.049 0.000 1.442 23 D HN 0.210 nan 8.370 nan 0.000 0.471 24 I N -0.282 120.260 120.570 -0.046 0.000 3.042 24 I HA 0.788 4.959 4.170 0.001 0.000 0.310 24 I C -0.044 176.053 176.117 -0.034 0.000 1.117 24 I CA -0.474 60.800 61.300 -0.043 0.000 1.003 24 I CB 2.161 40.140 38.000 -0.036 0.000 1.228 24 I HN 0.491 nan 8.210 nan 0.000 0.443 25 G N 3.196 111.978 108.800 -0.030 0.000 2.645 25 G HA2 0.434 4.394 3.960 0.001 0.000 0.292 25 G HA3 0.434 4.394 3.960 0.001 0.000 0.292 25 G C -2.712 172.178 174.900 -0.016 0.000 1.415 25 G CA -0.492 44.595 45.100 -0.022 0.000 0.785 25 G HN 0.353 nan 8.290 nan 0.000 0.483 26 P HA 0.045 nan 4.420 nan 0.000 0.214 26 P C 0.591 177.889 177.300 -0.004 0.000 1.162 26 P CA 1.927 65.024 63.100 -0.005 0.000 0.879 26 P CB 0.137 31.836 31.700 -0.001 0.000 0.786 27 D N -3.189 117.209 120.400 -0.003 0.000 2.540 27 D HA 0.214 4.854 4.640 0.001 0.000 0.229 27 D C -0.439 175.857 176.300 -0.006 0.000 1.250 27 D CA -0.315 53.685 54.000 -0.000 0.000 0.817 27 D CB 0.080 40.885 40.800 0.009 0.000 1.060 27 D HN -0.136 nan 8.370 nan 0.000 0.508 28 S N -0.004 115.686 115.700 -0.016 0.000 2.546 28 S HA 0.479 4.950 4.470 0.001 0.000 0.272 28 S C -0.777 173.795 174.600 -0.046 0.000 1.140 28 S CA -0.881 57.303 58.200 -0.026 0.000 0.920 28 S CB 1.512 64.701 63.200 -0.018 0.000 1.083 28 S HN 0.143 nan 8.310 nan 0.000 0.476 29 L N 2.264 123.446 121.223 -0.068 0.000 2.360 29 L HA 0.650 4.991 4.340 0.001 0.000 0.271 29 L C 0.687 177.476 176.870 -0.136 0.000 1.057 29 L CA -0.725 54.059 54.840 -0.093 0.000 0.803 29 L CB 1.280 43.278 42.059 -0.103 0.000 1.207 29 L HN 0.750 nan 8.230 nan 0.000 0.445 30 T N 0.153 114.620 114.554 -0.146 0.000 2.758 30 T HA 0.608 4.958 4.350 0.001 0.000 0.285 30 T C -0.432 174.115 174.700 -0.255 0.000 0.981 30 T CA -0.694 61.283 62.100 -0.205 0.000 0.965 30 T CB 0.695 69.485 68.868 -0.131 0.000 0.927 30 T HN 0.220 nan 8.240 nan 0.000 0.448 31 I N 3.105 123.406 120.570 -0.448 0.000 2.377 31 I HA 0.432 4.602 4.170 0.001 0.000 0.293 31 I C 0.371 176.309 176.117 -0.298 0.000 0.987 31 I CA -1.027 60.030 61.300 -0.404 0.000 1.185 31 I CB 1.420 39.091 38.000 -0.549 0.000 1.341 31 I HN 0.878 nan 8.210 nan 0.000 0.455 32 E N 7.869 127.995 120.200 -0.123 0.000 2.081 32 E HA 0.407 4.757 4.350 0.001 0.000 0.276 32 E C -2.448 174.166 176.600 0.024 0.000 0.950 32 E CA -1.745 54.639 56.400 -0.027 0.000 0.776 32 E CB 1.399 31.080 29.700 -0.031 0.000 1.094 32 E HN 0.270 nan 8.360 nan 0.000 0.402 33 P HA -0.101 nan 4.420 nan 0.000 0.271 33 P C 0.291 177.607 177.300 0.027 0.000 1.233 33 P CA -0.137 63.018 63.100 0.091 0.000 0.795 33 P CB 0.636 32.396 31.700 0.100 0.000 0.936 34 L N 2.212 123.439 121.223 0.007 0.000 2.071 34 L HA -0.078 4.262 4.340 0.001 0.000 0.201 34 L C 1.898 178.768 176.870 0.001 0.000 1.076 34 L CA 1.864 56.699 54.840 -0.009 0.000 0.755 34 L CB -1.325 40.718 42.059 -0.027 0.000 0.915 34 L HN 0.383 nan 8.230 nan 0.000 0.445 35 N N -1.254 117.449 118.700 0.005 0.000 2.104 35 N HA -0.277 4.463 4.740 0.001 0.000 0.190 35 N C 1.781 177.296 175.510 0.010 0.000 1.024 35 N CA 1.663 54.718 53.050 0.008 0.000 0.853 35 N CB -0.504 37.988 38.487 0.008 0.000 1.008 35 N HN 0.398 nan 8.380 nan 0.000 0.424 36 Q N 0.101 119.908 119.800 0.012 0.000 2.389 36 Q HA 0.094 4.435 4.340 0.001 0.000 0.204 36 Q C 0.105 176.117 176.000 0.020 0.000 0.944 36 Q CA 0.295 56.109 55.803 0.018 0.000 0.908 36 Q CB 0.035 28.789 28.738 0.026 0.000 1.002 36 Q HN 0.472 nan 8.270 nan 0.000 0.493 37 K N -1.941 118.469 120.400 0.017 0.000 2.960 37 K HA -0.304 4.017 4.320 0.001 0.000 0.259 37 K C 0.361 176.969 176.600 0.015 0.000 1.025 37 K CA 0.929 57.223 56.287 0.012 0.000 0.756 37 K CB -1.290 31.214 32.500 0.006 0.000 1.221 37 K HN 0.459 nan 8.250 nan 0.000 0.483 38 G N -0.432 108.383 108.800 0.026 0.000 4.044 38 G HA2 -0.086 3.875 3.960 0.001 0.000 0.189 38 G HA3 -0.086 3.875 3.960 0.001 0.000 0.189 38 G C -0.424 174.501 174.900 0.043 0.000 0.838 38 G CA -0.054 45.062 45.100 0.026 0.000 0.876 38 G HN 0.148 nan 8.290 nan 0.000 0.419 39 K N 2.621 123.057 120.400 0.060 0.000 2.110 39 K HA 0.424 4.744 4.320 0.001 0.000 0.260 39 K C -0.394 176.298 176.600 0.153 0.000 1.126 39 K CA 0.069 56.406 56.287 0.083 0.000 1.005 39 K CB -0.123 32.417 32.500 0.067 0.000 1.336 39 K HN 0.099 nan 8.250 nan 0.000 0.369 40 T N 4.234 118.862 114.554 0.123 0.000 2.869 40 T HA 0.308 4.659 4.350 0.001 0.000 0.295 40 T C -0.423 174.399 174.700 0.203 0.000 0.987 40 T CA -0.220 61.952 62.100 0.119 0.000 1.109 40 T CB 0.144 69.026 68.868 0.023 0.000 0.932 40 T HN 0.393 nan 8.240 nan 0.000 0.518 41 F N 1.352 121.309 119.950 0.011 0.000 2.603 41 F HA 0.768 5.296 4.527 0.001 0.000 0.317 41 F C -1.144 174.667 175.800 0.017 0.000 1.066 41 F CA -1.762 56.248 58.000 0.018 0.000 0.941 41 F CB 0.664 39.680 39.000 0.028 0.000 1.291 41 F HN 0.273 nan 8.300 nan 0.000 0.472 42 L N 2.083 123.318 121.223 0.019 0.000 2.454 42 L HA 0.860 5.201 4.340 0.001 0.000 0.256 42 L C -0.096 176.785 176.870 0.018 0.000 1.136 42 L CA -1.091 53.714 54.840 -0.058 0.000 0.804 42 L CB 1.325 43.391 42.059 0.012 0.000 1.181 42 L HN 1.016 nan 8.230 nan 0.000 0.469 43 A N 1.521 124.331 122.820 -0.018 0.000 2.547 43 A HA 0.483 4.804 4.320 0.001 0.000 0.298 43 A C -0.977 176.616 177.584 0.015 0.000 1.062 43 A CA -0.671 51.400 52.037 0.057 0.000 0.748 43 A CB 0.756 19.803 19.000 0.079 0.000 1.288 43 A HN 0.535 nan 8.150 nan 0.000 0.396 44 L N 2.622 123.867 121.223 0.036 0.000 2.506 44 L HA 0.075 4.415 4.340 0.001 0.000 0.281 44 L C 1.566 178.421 176.870 -0.025 0.000 1.228 44 L CA 0.028 54.874 54.840 0.011 0.000 0.850 44 L CB 0.218 42.294 42.059 0.028 0.000 1.110 44 L HN 0.822 nan 8.230 nan 0.000 0.496 45 I N 1.533 122.080 120.570 -0.039 0.000 2.226 45 I HA -0.298 3.873 4.170 0.001 0.000 0.245 45 I C 2.005 178.047 176.117 -0.125 0.000 1.100 45 I CA 1.640 62.896 61.300 -0.073 0.000 1.374 45 I CB -0.335 37.636 38.000 -0.049 0.000 1.057 45 I HN 0.805 nan 8.210 nan 0.000 0.413 46 N N 0.577 119.226 118.700 -0.084 0.000 2.575 46 N HA -0.158 4.583 4.740 0.001 0.000 0.192 46 N C 1.445 176.836 175.510 -0.198 0.000 1.200 46 N CA 0.312 53.298 53.050 -0.107 0.000 0.897 46 N CB -0.030 38.463 38.487 0.011 0.000 0.990 46 N HN 0.560 nan 8.380 nan 0.000 0.449 47 Q N 0.736 120.417 119.800 -0.198 0.000 2.281 47 Q HA 0.134 4.475 4.340 0.001 0.000 0.215 47 Q C 0.128 175.991 176.000 -0.227 0.000 0.867 47 Q CA -0.173 55.568 55.803 -0.103 0.000 0.940 47 Q CB 1.179 29.969 28.738 0.088 0.000 1.111 47 Q HN 0.363 nan 8.270 nan 0.000 0.513 48 V N -1.529 118.111 119.914 -0.457 0.000 2.667 48 V HA 0.687 4.807 4.120 0.001 0.000 0.308 48 V C -1.114 174.590 176.094 -0.650 0.000 1.048 48 V CA -0.616 61.494 62.300 -0.317 0.000 0.928 48 V CB 1.147 32.914 31.823 -0.094 0.000 1.004 48 V HN 0.017 nan 8.190 nan 0.000 0.444 49 F N 3.522 123.500 119.950 0.047 0.000 2.613 49 F HA 0.741 5.269 4.527 0.001 0.000 0.314 49 F C -2.416 173.336 175.800 -0.080 0.000 1.075 49 F CA -2.268 55.717 58.000 -0.024 0.000 0.945 49 F CB 2.508 41.469 39.000 -0.065 0.000 1.310 49 F HN 0.401 nan 8.300 nan 0.000 0.467 50 P HA 0.296 nan 4.420 nan 0.000 0.276 50 P C -1.195 175.994 177.300 -0.186 0.000 1.230 50 P CA -0.016 62.870 63.100 -0.358 0.000 0.776 50 P CB 1.194 32.282 31.700 -1.020 0.000 0.888 51 A N 3.303 126.010 122.820 -0.188 0.000 2.294 51 A HA 0.461 4.782 4.320 0.001 0.000 0.330 51 A C 0.307 177.912 177.584 0.034 0.000 1.133 51 A CA -0.641 51.358 52.037 -0.064 0.000 0.836 51 A CB 0.490 19.129 19.000 -0.602 0.000 1.190 51 A HN 0.459 nan 8.150 nan 0.000 0.492 52 E N 0.425 120.701 120.200 0.127 0.000 2.392 52 E HA 0.057 4.407 4.350 0.001 0.000 0.259 52 E C 0.646 177.261 176.600 0.025 0.000 1.108 52 E CA -0.116 56.355 56.400 0.118 0.000 0.916 52 E CB 0.641 30.404 29.700 0.105 0.000 0.989 52 E HN 0.744 nan 8.360 nan 0.000 0.432 53 E N 0.523 120.744 120.200 0.035 0.000 2.028 53 E HA -0.155 4.195 4.350 0.001 0.000 0.191 53 E C 0.044 176.641 176.600 -0.004 0.000 0.988 53 E CA 0.890 57.295 56.400 0.008 0.000 0.799 53 E CB 0.151 29.864 29.700 0.023 0.000 0.755 53 E HN 0.301 nan 8.360 nan 0.000 0.447 54 D N -0.074 120.334 120.400 0.013 0.000 2.380 54 D HA 0.020 4.661 4.640 0.001 0.000 0.230 54 D C 0.378 176.717 176.300 0.066 0.000 1.154 54 D CA -0.104 53.911 54.000 0.026 0.000 0.859 54 D CB 0.966 41.779 40.800 0.021 0.000 1.045 54 D HN -0.070 nan 8.370 nan 0.000 0.495 55 S N 2.824 118.565 115.700 0.068 0.000 2.660 55 S HA 0.002 4.473 4.470 0.001 0.000 0.223 55 S C 1.306 176.066 174.600 0.267 0.000 0.963 55 S CA 0.196 58.494 58.200 0.162 0.000 0.932 55 S CB 0.105 63.354 63.200 0.081 0.000 0.775 55 S HN 0.324 nan 8.310 nan 0.000 0.531 56 K N 1.278 121.765 120.400 0.145 0.000 2.374 56 K HA 0.256 4.576 4.320 0.001 0.000 0.202 56 K C 0.393 177.031 176.600 0.064 0.000 1.040 56 K CA -0.177 56.167 56.287 0.094 0.000 1.085 56 K CB 0.415 32.948 32.500 0.054 0.000 0.873 56 K HN 0.533 nan 8.250 nan 0.000 0.539 57 K N 1.426 121.873 120.400 0.078 0.000 2.144 57 K HA 0.109 4.430 4.320 0.001 0.000 0.270 57 K C -0.997 175.633 176.600 0.049 0.000 1.005 57 K CA -0.508 55.806 56.287 0.045 0.000 0.932 57 K CB 0.971 33.488 32.500 0.028 0.000 1.021 57 K HN -0.010 nan 8.250 nan 0.000 0.462 58 D N 0.578 120.989 120.400 0.018 0.000 2.477 58 D HA 0.506 5.147 4.640 0.001 0.000 0.234 58 D C -0.972 175.337 176.300 0.014 0.000 1.048 58 D CA -0.998 53.008 54.000 0.010 0.000 0.959 58 D CB 1.935 42.725 40.800 -0.016 0.000 1.408 58 D HN 0.384 nan 8.370 nan 0.000 0.496 59 V N -2.435 117.491 119.914 0.020 0.000 2.971 59 V HA 0.457 4.578 4.120 0.001 0.000 0.309 59 V C 0.387 176.507 176.094 0.043 0.000 1.130 59 V CA -0.862 61.458 62.300 0.033 0.000 0.964 59 V CB 1.648 33.493 31.823 0.036 0.000 1.029 59 V HN 0.740 nan 8.190 nan 0.000 0.427 60 E N 0.715 120.952 120.200 0.061 0.000 2.285 60 E HA 0.021 4.372 4.350 0.001 0.000 0.194 60 E C 0.012 176.692 176.600 0.133 0.000 0.997 60 E CA 0.921 57.363 56.400 0.071 0.000 0.845 60 E CB 0.356 30.113 29.700 0.094 0.000 0.782 60 E HN 0.814 nan 8.360 nan 0.000 0.491 61 D N -0.263 120.225 120.400 0.147 0.000 2.649 61 D HA 0.111 4.751 4.640 0.001 0.000 0.249 61 D C 0.030 176.400 176.300 0.115 0.000 1.112 61 D CA -0.352 53.755 54.000 0.179 0.000 0.850 61 D CB 1.036 41.937 40.800 0.168 0.000 1.399 61 D HN -0.151 nan 8.370 nan 0.000 0.503 62 N N 1.812 120.579 118.700 0.111 0.000 2.571 62 N HA -0.055 4.685 4.740 0.001 0.000 0.189 62 N C 1.359 176.913 175.510 0.073 0.000 1.154 62 N CA 0.270 53.367 53.050 0.079 0.000 0.907 62 N CB 0.216 38.746 38.487 0.073 0.000 0.977 62 N HN 0.419 nan 8.380 nan 0.000 0.449 63 C N -0.177 119.175 119.300 0.085 0.000 2.514 63 C HA 0.096 4.557 4.460 0.001 0.000 0.271 63 C C 2.634 177.686 174.990 0.104 0.000 1.399 63 C CA 0.027 59.100 59.018 0.092 0.000 1.765 63 C CB -0.834 26.959 27.740 0.088 0.000 1.893 63 C HN 0.378 nan 8.230 nan 0.000 0.531 64 S N 1.099 116.852 115.700 0.088 0.000 2.442 64 S HA 0.001 4.471 4.470 0.001 0.000 0.236 64 S C 0.717 175.296 174.600 -0.035 0.000 1.007 64 S CA 0.659 58.917 58.200 0.098 0.000 0.965 64 S CB -0.344 62.899 63.200 0.071 0.000 0.773 64 S HN 0.569 nan 8.310 nan 0.000 0.504 65 L N 1.505 122.701 121.223 -0.046 0.000 2.461 65 L HA 0.158 4.499 4.340 0.001 0.000 0.272 65 L C 1.614 178.343 176.870 -0.235 0.000 1.197 65 L CA -0.223 54.540 54.840 -0.128 0.000 0.836 65 L CB 0.248 42.299 42.059 -0.013 0.000 1.105 65 L HN 0.195 nan 8.230 nan 0.000 0.477 66 M N 1.010 120.358 119.600 -0.420 0.000 2.200 66 M HA -0.028 4.453 4.480 0.001 0.000 0.265 66 M C -0.337 175.637 176.300 -0.544 0.000 1.066 66 M CA 1.509 56.444 55.300 -0.609 0.000 1.127 66 M CB -0.138 32.011 32.600 -0.751 0.000 1.379 66 M HN 0.365 nan 8.290 nan 0.000 0.420 67 Y N 0.373 120.658 120.300 -0.025 0.000 2.364 67 Y HA 0.547 5.098 4.550 0.001 0.000 0.340 67 Y C -0.660 175.248 175.900 0.014 0.000 0.975 67 Y CA -1.296 56.819 58.100 0.024 0.000 1.089 67 Y CB 1.383 39.871 38.460 0.047 0.000 1.192 67 Y HN -0.082 nan 8.280 nan 0.000 0.454 68 L N 5.746 127.064 121.223 0.158 0.000 2.366 68 L HA 0.534 4.875 4.340 0.001 0.000 0.266 68 L C -1.248 175.637 176.870 0.024 0.000 1.010 68 L CA -0.538 54.347 54.840 0.075 0.000 0.879 68 L CB -0.148 41.954 42.059 0.073 0.000 1.228 68 L HN 0.879 nan 8.230 nan 0.000 0.439 69 N N 0.720 119.377 118.700 -0.072 0.000 2.902 69 N HA 0.352 5.093 4.740 0.001 0.000 0.268 69 N C 0.340 175.639 175.510 -0.351 0.000 1.450 69 N CA -0.352 52.550 53.050 -0.247 0.000 0.819 69 N CB 0.409 38.648 38.487 -0.413 0.000 1.540 69 N HN 0.386 nan 8.380 nan 0.000 0.545 70 E N -0.831 119.066 120.200 -0.505 0.000 2.118 70 E HA -0.236 4.114 4.350 0.001 0.000 0.195 70 E C 1.408 177.745 176.600 -0.438 0.000 0.992 70 E CA 1.475 57.668 56.400 -0.345 0.000 0.804 70 E CB -0.331 29.250 29.700 -0.199 0.000 0.741 70 E HN 0.567 nan 8.360 nan 0.000 0.458 71 A N 1.710 123.988 122.820 -0.903 0.000 1.897 71 A HA -0.132 4.189 4.320 0.001 0.000 0.215 71 A C 2.540 179.671 177.584 -0.756 0.000 1.181 71 A CA 2.015 53.364 52.037 -1.148 0.000 0.620 71 A CB -1.071 17.006 19.000 -1.539 0.000 0.821 71 A HN 0.488 nan 8.150 nan 0.000 0.443 72 T N -1.429 112.876 114.554 -0.416 0.000 2.867 72 T HA -0.104 4.247 4.350 0.001 0.000 0.268 72 T C 1.791 176.451 174.700 -0.067 0.000 1.057 72 T CA 1.331 63.354 62.100 -0.129 0.000 1.136 72 T CB -0.516 68.386 68.868 0.056 0.000 0.874 72 T HN 0.231 nan 8.240 nan 0.000 0.466 73 L N 0.824 121.990 121.223 -0.096 0.000 1.989 73 L HA 0.101 4.441 4.340 0.001 0.000 0.211 73 L C 2.352 179.211 176.870 -0.017 0.000 1.071 73 L CA 1.564 56.384 54.840 -0.033 0.000 0.749 73 L CB -1.036 41.007 42.059 -0.028 0.000 0.890 73 L HN 0.263 nan 8.230 nan 0.000 0.431 74 L N -0.590 120.610 121.223 -0.039 0.000 2.043 74 L HA -0.287 4.053 4.340 0.001 0.000 0.212 74 L C 2.708 179.575 176.870 -0.005 0.000 1.075 74 L CA 2.308 57.178 54.840 0.049 0.000 0.752 74 L CB -1.074 41.039 42.059 0.091 0.000 0.891 74 L HN 0.590 nan 8.230 nan 0.000 0.432 75 H N -1.320 117.624 119.070 -0.209 0.000 2.495 75 H HA -0.103 4.454 4.556 0.001 0.000 0.287 75 H C 1.869 177.133 175.328 -0.107 0.000 1.033 75 H CA 1.365 57.294 56.048 -0.198 0.000 1.307 75 H CB 0.251 29.874 29.762 -0.233 0.000 1.401 75 H HN 0.482 nan 8.280 nan 0.000 0.555 76 N N 1.115 119.780 118.700 -0.057 0.000 2.173 76 N HA -0.092 4.648 4.740 0.001 0.000 0.184 76 N C 2.358 177.801 175.510 -0.110 0.000 1.025 76 N CA 1.511 54.525 53.050 -0.060 0.000 0.852 76 N CB -0.331 38.169 38.487 0.022 0.000 0.998 76 N HN 0.552 nan 8.380 nan 0.000 0.427 77 I N -1.795 118.732 120.570 -0.072 0.000 2.493 77 I HA -0.095 4.075 4.170 0.001 0.000 0.254 77 I C 2.122 178.137 176.117 -0.170 0.000 1.160 77 I CA 1.174 62.450 61.300 -0.040 0.000 1.445 77 I CB -0.250 37.790 38.000 0.066 0.000 1.086 77 I HN 0.074 nan 8.210 nan 0.000 0.433 78 K N 1.580 121.695 120.400 -0.474 0.000 2.057 78 K HA -0.082 4.239 4.320 0.001 0.000 0.206 78 K C 2.050 178.358 176.600 -0.487 0.000 1.050 78 K CA 1.738 57.437 56.287 -0.980 0.000 0.935 78 K CB 0.013 31.849 32.500 -1.107 0.000 0.715 78 K HN 0.335 nan 8.250 nan 0.000 0.439 79 V N 1.469 121.146 119.914 -0.395 0.000 2.427 79 V HA -0.171 3.950 4.120 0.001 0.000 0.248 79 V C 2.345 178.363 176.094 -0.127 0.000 1.051 79 V CA 1.583 63.733 62.300 -0.250 0.000 1.048 79 V CB -0.476 31.197 31.823 -0.251 0.000 0.666 79 V HN 0.326 nan 8.190 nan 0.000 0.456 80 R N -1.301 119.138 120.500 -0.101 0.000 2.115 80 R HA -0.156 4.184 4.340 0.001 0.000 0.230 80 R C 2.297 178.602 176.300 0.008 0.000 1.111 80 R CA 1.542 57.618 56.100 -0.039 0.000 0.976 80 R CB -0.386 29.898 30.300 -0.026 0.000 0.870 80 R HN 0.568 nan 8.270 nan 0.000 0.445 81 Y N 1.369 121.599 120.300 -0.117 0.000 2.293 81 Y HA -0.169 4.381 4.550 0.001 0.000 0.291 81 Y C 2.359 178.258 175.900 -0.002 0.000 1.137 81 Y CA 1.421 59.491 58.100 -0.050 0.000 1.202 81 Y CB -0.074 38.394 38.460 0.014 0.000 0.990 81 Y HN 0.027 nan 8.280 nan 0.000 0.537 82 S N -1.087 114.608 115.700 -0.008 0.000 2.561 82 S HA -0.021 4.449 4.470 0.001 0.000 0.225 82 S C 1.280 175.867 174.600 -0.021 0.000 0.977 82 S CA 0.444 58.634 58.200 -0.017 0.000 0.926 82 S CB -0.299 62.889 63.200 -0.019 0.000 0.769 82 S HN 0.477 nan 8.310 nan 0.000 0.533 83 K N 0.731 121.110 120.400 -0.034 0.000 2.373 83 K HA 0.190 4.510 4.320 0.001 0.000 0.202 83 K C -0.552 176.036 176.600 -0.019 0.000 1.025 83 K CA 0.248 56.522 56.287 -0.022 0.000 1.115 83 K CB 0.323 32.809 32.500 -0.025 0.000 0.858 83 K HN 0.075 nan 8.250 nan 0.000 0.525 84 D N 0.871 121.241 120.400 -0.051 0.000 3.077 84 D HA -0.172 4.469 4.640 0.001 0.000 0.212 84 D C -0.559 175.664 176.300 -0.128 0.000 1.125 84 D CA 0.906 54.863 54.000 -0.072 0.000 0.970 84 D CB -0.931 39.914 40.800 0.075 0.000 1.110 84 D HN 0.317 nan 8.370 nan 0.000 0.419 85 R N 1.092 121.534 120.500 -0.097 0.000 2.419 85 R HA 0.328 4.669 4.340 0.001 0.000 0.305 85 R C 1.932 178.159 176.300 -0.121 0.000 1.242 85 R CA -0.155 55.880 56.100 -0.108 0.000 1.105 85 R CB -0.132 30.135 30.300 -0.055 0.000 1.116 85 R HN 0.386 nan 8.270 nan 0.000 0.523 86 I N -1.855 118.551 120.570 -0.273 0.000 2.928 86 I HA 0.004 4.175 4.170 0.001 0.000 0.266 86 I C -0.054 175.852 176.117 -0.351 0.000 1.234 86 I CA 0.519 61.632 61.300 -0.311 0.000 1.483 86 I CB -0.011 37.670 38.000 -0.531 0.000 1.097 86 I HN 0.231 nan 8.210 nan 0.000 0.455 87 Y N 1.276 121.480 120.300 -0.160 0.000 2.387 87 Y HA 0.629 5.180 4.550 0.001 0.000 0.336 87 Y C -0.074 175.690 175.900 -0.227 0.000 1.067 87 Y CA -0.895 57.074 58.100 -0.219 0.000 1.114 87 Y CB 1.944 40.208 38.460 -0.327 0.000 1.208 87 Y HN -0.110 nan 8.280 nan 0.000 0.458 88 T N 2.024 116.542 114.554 -0.060 0.000 3.193 88 T HA 0.291 4.641 4.350 0.001 0.000 0.332 88 T C -1.266 173.389 174.700 -0.075 0.000 1.208 88 T CA -1.075 60.964 62.100 -0.102 0.000 1.080 88 T CB 0.529 69.394 68.868 -0.005 0.000 1.180 88 T HN 0.372 nan 8.240 nan 0.000 0.469 89 Y N 0.708 121.059 120.300 0.084 0.000 2.326 89 Y HA 0.616 5.166 4.550 0.001 0.000 0.324 89 Y C 0.405 176.347 175.900 0.070 0.000 1.291 89 Y CA -1.010 57.137 58.100 0.078 0.000 1.348 89 Y CB 1.123 39.624 38.460 0.069 0.000 1.294 89 Y HN 0.286 nan 8.280 nan 0.000 0.525 90 V N 2.488 122.570 119.914 0.280 0.000 2.439 90 V HA 0.518 4.638 4.120 0.001 0.000 0.277 90 V C 0.324 176.500 176.094 0.136 0.000 1.008 90 V CA -0.252 62.147 62.300 0.166 0.000 0.846 90 V CB 0.036 31.932 31.823 0.121 0.000 1.031 90 V HN 1.135 nan 8.190 nan 0.000 0.441 91 A N 5.435 128.314 122.820 0.098 0.000 5.277 91 A HA -0.279 4.042 4.320 0.001 0.000 0.304 91 A C 1.282 178.835 177.584 -0.052 0.000 1.976 91 A CA 1.841 53.895 52.037 0.028 0.000 0.715 91 A CB -1.406 17.610 19.000 0.027 0.000 1.275 91 A HN 0.736 nan 8.150 nan 0.000 0.367 92 N N 0.355 119.039 118.700 -0.026 0.000 2.280 92 N HA 0.331 5.071 4.740 0.001 0.000 0.192 92 N C 0.250 175.824 175.510 0.106 0.000 1.109 92 N CA 0.673 53.685 53.050 -0.062 0.000 0.855 92 N CB -0.126 38.353 38.487 -0.014 0.000 0.974 92 N HN 0.628 nan 8.380 nan 0.000 0.482 93 I N 1.212 121.899 120.570 0.196 0.000 2.474 93 I HA 0.085 4.255 4.170 0.001 0.000 0.287 93 I C -0.038 176.291 176.117 0.353 0.000 1.048 93 I CA -0.619 60.857 61.300 0.293 0.000 1.383 93 I CB 0.855 39.015 38.000 0.267 0.000 1.412 93 I HN -0.116 nan 8.210 nan 0.000 0.531 94 L N 7.953 129.363 121.223 0.312 0.000 2.334 94 L HA 0.587 4.928 4.340 0.001 0.000 0.275 94 L C -0.638 176.334 176.870 0.169 0.000 1.036 94 L CA -0.121 54.866 54.840 0.246 0.000 0.807 94 L CB 1.265 43.425 42.059 0.169 0.000 1.231 94 L HN 0.379 nan 8.230 nan 0.000 0.438 95 I N 4.667 125.315 120.570 0.130 0.000 2.439 95 I HA 0.503 4.674 4.170 0.001 0.000 0.283 95 I C -0.559 175.628 176.117 0.118 0.000 1.023 95 I CA -0.597 60.769 61.300 0.109 0.000 1.100 95 I CB 1.733 39.785 38.000 0.087 0.000 1.238 95 I HN 0.728 nan 8.210 nan 0.000 0.445 96 A N 7.086 129.970 122.820 0.106 0.000 2.399 96 A HA 0.606 4.927 4.320 0.001 0.000 0.327 96 A C -0.378 177.169 177.584 -0.062 0.000 1.367 96 A CA -0.457 51.619 52.037 0.065 0.000 0.842 96 A CB 0.492 19.625 19.000 0.221 0.000 1.142 96 A HN 0.438 nan 8.150 nan 0.000 0.495 97 V N 3.076 122.923 119.914 -0.112 0.000 2.470 97 V HA 0.047 4.167 4.120 0.001 0.000 0.276 97 V C 0.745 176.750 176.094 -0.148 0.000 1.040 97 V CA -0.662 61.547 62.300 -0.150 0.000 1.008 97 V CB 0.510 32.213 31.823 -0.201 0.000 0.990 97 V HN 0.850 nan 8.190 nan 0.000 0.477 98 N N 8.279 126.842 118.700 -0.229 0.000 2.434 98 N HA 0.093 4.833 4.740 0.001 0.000 0.268 98 N C -1.191 174.126 175.510 -0.322 0.000 1.256 98 N CA -1.659 51.163 53.050 -0.380 0.000 0.914 98 N CB 1.471 39.569 38.487 -0.647 0.000 1.088 98 N HN 0.345 nan 8.380 nan 0.000 0.478 99 P HA -0.078 nan 4.420 nan 0.000 0.222 99 P C -0.404 176.937 177.300 0.067 0.000 1.153 99 P CA 0.780 63.791 63.100 -0.149 0.000 0.798 99 P CB 0.021 31.368 31.700 -0.588 0.000 0.796 100 Y N -1.748 118.579 120.300 0.045 0.000 3.689 100 Y HA -0.237 4.314 4.550 0.001 0.000 0.221 100 Y C 0.295 176.344 175.900 0.248 0.000 1.247 100 Y CA 0.192 58.360 58.100 0.113 0.000 1.671 100 Y CB -2.624 35.913 38.460 0.128 0.000 1.521 100 Y HN 0.127 nan 8.280 nan 0.000 0.632 101 F N -3.277 116.735 119.950 0.103 0.000 2.770 101 F HA 0.581 5.108 4.527 0.001 0.000 0.313 101 F C -1.238 174.611 175.800 0.082 0.000 1.154 101 F CA -1.872 56.181 58.000 0.088 0.000 0.923 101 F CB 0.837 39.883 39.000 0.078 0.000 1.301 101 F HN -0.318 nan 8.300 nan 0.000 0.449 102 D N 3.212 123.750 120.400 0.230 0.000 2.416 102 D HA 0.291 4.932 4.640 0.001 0.000 0.240 102 D C 0.252 176.622 176.300 0.117 0.000 1.250 102 D CA 0.412 54.491 54.000 0.131 0.000 0.967 102 D CB 0.426 41.339 40.800 0.188 0.000 1.059 102 D HN 0.510 nan 8.370 nan 0.000 0.512 103 I N 4.511 124.984 120.570 -0.163 0.000 2.581 103 I HA 0.046 4.217 4.170 0.001 0.000 0.285 103 I C -1.685 174.435 176.117 0.004 0.000 1.129 103 I CA -1.489 59.734 61.300 -0.129 0.000 1.397 103 I CB 0.177 37.962 38.000 -0.359 0.000 1.399 103 I HN 0.036 nan 8.210 nan 0.000 0.537 104 P HA 0.149 nan 4.420 nan 0.000 0.271 104 P C 0.474 177.770 177.300 -0.007 0.000 1.218 104 P CA 0.012 63.149 63.100 0.062 0.000 0.780 104 P CB 0.732 32.482 31.700 0.083 0.000 0.901 105 K N 0.839 121.249 120.400 0.016 0.000 3.584 105 K HA -0.244 4.076 4.320 0.001 0.000 0.300 105 K C 1.053 177.625 176.600 -0.047 0.000 1.285 105 K CA 2.031 58.324 56.287 0.009 0.000 1.008 105 K CB -3.028 29.479 32.500 0.011 0.000 1.271 105 K HN 0.740 nan 8.250 nan 0.000 0.447 106 I N -4.599 115.835 120.570 -0.226 0.000 3.427 106 I HA 0.300 4.470 4.170 0.001 0.000 0.288 106 I C 1.800 177.683 176.117 -0.391 0.000 1.249 106 I CA 0.429 61.502 61.300 -0.378 0.000 1.421 106 I CB 0.243 37.843 38.000 -0.666 0.000 1.086 106 I HN 0.330 nan 8.210 nan 0.000 0.448 107 Y N 2.086 122.426 120.300 0.067 0.000 2.636 107 Y HA 0.347 4.897 4.550 0.001 0.000 0.260 107 Y C 1.534 177.596 175.900 0.269 0.000 1.177 107 Y CA -0.779 57.428 58.100 0.178 0.000 1.209 107 Y CB 0.149 38.663 38.460 0.090 0.000 1.166 107 Y HN 0.158 nan 8.280 nan 0.000 0.531 108 S N -1.124 114.746 115.700 0.282 0.000 2.617 108 S HA 0.068 4.539 4.470 0.001 0.000 0.259 108 S C 1.393 176.103 174.600 0.182 0.000 1.301 108 S CA -0.197 58.124 58.200 0.203 0.000 0.984 108 S CB 1.421 64.700 63.200 0.132 0.000 0.954 108 S HN 0.219 nan 8.310 nan 0.000 0.572 109 S N 0.104 115.869 115.700 0.108 0.000 2.387 109 S HA -0.082 4.389 4.470 0.001 0.000 0.226 109 S C 1.778 176.401 174.600 0.037 0.000 1.026 109 S CA 1.173 59.402 58.200 0.048 0.000 0.972 109 S CB -0.585 62.628 63.200 0.021 0.000 0.814 109 S HN 0.876 nan 8.310 nan 0.000 0.477 110 E N 0.526 120.760 120.200 0.057 0.000 2.204 110 E HA -0.116 4.234 4.350 0.001 0.000 0.194 110 E C 1.383 178.035 176.600 0.086 0.000 0.989 110 E CA 1.250 57.681 56.400 0.052 0.000 0.824 110 E CB 0.030 29.759 29.700 0.048 0.000 0.756 110 E HN 0.399 nan 8.360 nan 0.000 0.477 111 T N 0.448 115.088 114.554 0.143 0.000 2.978 111 T HA 0.042 4.393 4.350 0.001 0.000 0.262 111 T C 1.780 176.655 174.700 0.293 0.000 1.063 111 T CA 0.512 62.754 62.100 0.238 0.000 1.140 111 T CB -0.010 69.018 68.868 0.267 0.000 0.886 111 T HN 0.153 nan 8.240 nan 0.000 0.470 112 I N 0.908 121.559 120.570 0.136 0.000 2.226 112 I HA -0.157 4.014 4.170 0.001 0.000 0.245 112 I C 2.598 178.725 176.117 0.017 0.000 1.100 112 I CA 1.257 62.526 61.300 -0.052 0.000 1.374 112 I CB -0.216 37.605 38.000 -0.299 0.000 1.057 112 I HN 0.134 nan 8.210 nan 0.000 0.413 113 K N 0.024 120.417 120.400 -0.013 0.000 2.097 113 K HA -0.157 4.163 4.320 0.001 0.000 0.206 113 K C 2.362 178.983 176.600 0.035 0.000 1.049 113 K CA 1.395 57.665 56.287 -0.027 0.000 0.933 113 K CB -0.239 32.242 32.500 -0.033 0.000 0.717 113 K HN 0.139 nan 8.250 nan 0.000 0.442 114 S N -0.029 115.718 115.700 0.078 0.000 2.387 114 S HA -0.168 4.302 4.470 0.001 0.000 0.230 114 S C 1.572 176.163 174.600 -0.017 0.000 1.035 114 S CA 1.337 59.557 58.200 0.033 0.000 1.014 114 S CB -0.139 63.098 63.200 0.062 0.000 0.836 114 S HN 0.329 nan 8.310 nan 0.000 0.466 115 Y N 0.787 121.123 120.300 0.060 0.000 2.482 115 Y HA 0.320 4.870 4.550 0.001 0.000 0.270 115 Y C 1.096 177.079 175.900 0.138 0.000 1.152 115 Y CA -0.176 57.972 58.100 0.080 0.000 1.292 115 Y CB 0.169 38.651 38.460 0.037 0.000 1.070 115 Y HN 0.226 nan 8.280 nan 0.000 0.528 116 Q N 0.228 120.162 119.800 0.223 0.000 2.262 116 Q HA 0.233 4.574 4.340 0.001 0.000 0.272 116 Q C 1.110 177.202 176.000 0.154 0.000 1.076 116 Q CA 1.014 56.920 55.803 0.171 0.000 0.905 116 Q CB 0.518 29.253 28.738 -0.005 0.000 1.182 116 Q HN 0.622 nan 8.270 nan 0.000 0.390 117 G N 3.056 111.984 108.800 0.213 0.000 2.640 117 G HA2 -0.313 3.648 3.960 0.001 0.000 0.226 117 G HA3 -0.313 3.648 3.960 0.001 0.000 0.226 117 G C -0.016 174.946 174.900 0.104 0.000 1.222 117 G CA -0.058 45.134 45.100 0.152 0.000 0.729 117 G HN 0.486 nan 8.290 nan 0.000 0.516 118 K N 2.539 122.983 120.400 0.073 0.000 2.466 118 K HA 0.441 4.762 4.320 0.001 0.000 0.278 118 K C 1.124 177.750 176.600 0.044 0.000 1.048 118 K CA 0.790 57.090 56.287 0.021 0.000 1.088 118 K CB 0.780 33.247 32.500 -0.055 0.000 0.884 118 K HN 0.766 nan 8.250 nan 0.000 0.478 119 S N 2.840 118.554 115.700 0.022 0.000 2.608 119 S HA 0.170 4.640 4.470 0.001 0.000 0.261 119 S C 0.044 174.654 174.600 0.017 0.000 1.314 119 S CA -0.933 57.280 58.200 0.022 0.000 0.992 119 S CB 0.476 63.675 63.200 -0.002 0.000 0.935 119 S HN 0.440 nan 8.310 nan 0.000 0.564 120 L N 2.258 123.476 121.223 -0.009 0.000 2.565 120 L HA 0.487 4.827 4.340 0.001 0.000 0.275 120 L C 1.147 177.953 176.870 -0.107 0.000 1.137 120 L CA 1.794 56.594 54.840 -0.067 0.000 0.915 120 L CB -0.401 41.559 42.059 -0.165 0.000 1.232 120 L HN 1.149 nan 8.230 nan 0.000 0.473 121 G N 1.546 110.332 108.800 -0.023 0.000 2.545 121 G HA2 -0.289 3.672 3.960 0.001 0.000 0.195 121 G HA3 -0.289 3.672 3.960 0.001 0.000 0.195 121 G C 0.857 175.772 174.900 0.024 0.000 1.009 121 G CA 0.308 45.409 45.100 0.001 0.000 0.703 121 G HN 0.671 nan 8.290 nan 0.000 0.479 122 T N -1.247 113.307 114.554 -0.000 0.000 3.023 122 T HA 0.487 4.838 4.350 0.001 0.000 0.266 122 T C 1.250 175.924 174.700 -0.042 0.000 1.093 122 T CA 0.988 63.073 62.100 -0.025 0.000 1.129 122 T CB 0.180 69.024 68.868 -0.039 0.000 0.899 122 T HN 0.221 nan 8.240 nan 0.000 0.491 123 M N 1.444 121.025 119.600 -0.031 0.000 2.705 123 M HA 0.555 5.036 4.480 0.001 0.000 0.311 123 M C -2.660 173.694 176.300 0.091 0.000 1.214 123 M CA -2.902 52.338 55.300 -0.101 0.000 0.920 123 M CB 1.144 33.481 32.600 -0.438 0.000 1.687 123 M HN -0.155 nan 8.290 nan 0.000 0.481 124 P HA 0.185 nan 4.420 nan 0.000 0.270 124 P C -2.537 174.911 177.300 0.246 0.000 1.223 124 P CA -0.723 62.480 63.100 0.172 0.000 0.785 124 P CB -0.797 30.992 31.700 0.148 0.000 0.923 125 P HA 0.060 nan 4.420 nan 0.000 0.267 125 P C -0.461 176.712 177.300 -0.212 0.000 1.205 125 P CA 1.120 63.939 63.100 -0.468 0.000 0.765 125 P CB 0.216 31.460 31.700 -0.758 0.000 0.828 126 H N 1.588 120.373 119.070 -0.474 0.000 3.068 126 H HA 0.062 4.619 4.556 0.001 0.000 0.342 126 H C 0.214 174.994 175.328 -0.913 0.000 1.284 126 H CA -0.538 54.963 56.048 -0.912 0.000 1.181 126 H CB 1.892 31.181 29.762 -0.789 0.000 1.898 126 H HN 0.077 nan 8.280 nan 0.000 0.540 127 V N 3.969 123.271 119.914 -1.019 0.000 2.594 127 V HA -0.186 3.935 4.120 0.001 0.000 0.253 127 V C 1.531 177.557 176.094 -0.113 0.000 1.069 127 V CA 1.819 63.867 62.300 -0.419 0.000 1.082 127 V CB -0.776 30.861 31.823 -0.310 0.000 0.680 127 V HN 0.545 nan 8.190 nan 0.000 0.469 128 F N 0.885 120.650 119.950 -0.308 0.000 2.234 128 F HA 0.043 4.571 4.527 0.002 0.000 0.299 128 F C 2.429 177.783 175.800 -0.744 0.000 1.087 128 F CA 0.848 58.279 58.000 -0.948 0.000 1.340 128 F CB -1.451 36.633 39.000 -1.527 0.000 1.031 128 F HN 0.284 nan 8.300 nan 0.000 0.500 129 A N -0.133 122.569 122.820 -0.196 0.000 1.970 129 A HA -0.039 4.282 4.320 0.001 0.000 0.216 129 A C 2.246 179.876 177.584 0.077 0.000 1.170 129 A CA 0.817 52.913 52.037 0.099 0.000 0.645 129 A CB -0.609 18.595 19.000 0.341 0.000 0.816 129 A HN 0.180 nan 8.150 nan 0.000 0.447 130 I N 0.005 120.604 120.570 0.048 0.000 2.252 130 I HA -0.206 3.964 4.170 0.001 0.000 0.245 130 I C 2.934 179.090 176.117 0.064 0.000 1.102 130 I CA 1.404 62.743 61.300 0.066 0.000 1.385 130 I CB -1.450 36.589 38.000 0.065 0.000 1.064 130 I HN 0.363 nan 8.210 nan 0.000 0.414 131 A N 0.285 123.123 122.820 0.031 0.000 1.883 131 A HA -0.272 4.049 4.320 0.001 0.000 0.217 131 A C 2.202 179.914 177.584 0.214 0.000 1.186 131 A CA 2.098 54.202 52.037 0.111 0.000 0.624 131 A CB -0.730 18.308 19.000 0.063 0.000 0.822 131 A HN 0.446 nan 8.150 nan 0.000 0.444 132 D N -0.923 119.577 120.400 0.165 0.000 2.224 132 D HA -0.115 4.525 4.640 0.001 0.000 0.205 132 D C 1.919 178.363 176.300 0.241 0.000 0.965 132 D CA 1.217 55.420 54.000 0.339 0.000 0.852 132 D CB -0.011 40.990 40.800 0.334 0.000 0.947 132 D HN 0.536 nan 8.370 nan 0.000 0.494 133 K N 0.314 120.798 120.400 0.140 0.000 2.155 133 K HA -0.039 4.281 4.320 0.001 0.000 0.203 133 K C 1.896 178.523 176.600 0.044 0.000 1.052 133 K CA 1.014 57.346 56.287 0.074 0.000 0.948 133 K CB 0.055 32.579 32.500 0.041 0.000 0.728 133 K HN -0.007 nan 8.250 nan 0.000 0.448 134 A N 0.242 123.107 122.820 0.075 0.000 1.930 134 A HA -0.059 4.262 4.320 0.001 0.000 0.215 134 A C 1.912 179.489 177.584 -0.011 0.000 1.176 134 A CA 0.762 52.817 52.037 0.029 0.000 0.632 134 A CB -0.632 18.411 19.000 0.072 0.000 0.819 134 A HN 0.469 nan 8.150 nan 0.000 0.445 135 F N 0.650 120.552 119.950 -0.080 0.000 2.113 135 F HA -0.083 4.444 4.527 0.000 0.000 0.297 135 F C 2.386 178.025 175.800 -0.269 0.000 1.103 135 F CA 1.655 59.521 58.000 -0.223 0.000 1.248 135 F CB -0.176 38.722 39.000 -0.169 0.000 0.999 135 F HN 0.075 nan 8.300 nan 0.000 0.475 136 R N 0.015 120.465 120.500 -0.085 0.000 2.096 136 R HA -0.149 4.191 4.340 0.001 0.000 0.235 136 R C 1.580 177.721 176.300 -0.266 0.000 1.127 136 R CA 1.713 57.709 56.100 -0.172 0.000 0.968 136 R CB -0.485 29.808 30.300 -0.012 0.000 0.861 136 R HN 0.284 nan 8.270 nan 0.000 0.440 137 D N -0.081 120.187 120.400 -0.220 0.000 2.277 137 D HA -0.086 4.554 4.640 0.001 0.000 0.208 137 D C 1.659 177.758 176.300 -0.335 0.000 0.962 137 D CA 0.624 54.487 54.000 -0.228 0.000 0.865 137 D CB 0.062 40.768 40.800 -0.157 0.000 0.939 137 D HN 0.146 nan 8.370 nan 0.000 0.510 138 M N 0.565 119.900 119.600 -0.441 0.000 2.123 138 M HA -0.162 4.319 4.480 0.001 0.000 0.263 138 M C 1.923 177.810 176.300 -0.689 0.000 1.069 138 M CA 1.492 56.447 55.300 -0.574 0.000 1.133 138 M CB 0.111 32.328 32.600 -0.639 0.000 1.356 138 M HN -0.128 nan 8.290 nan 0.000 0.415 139 K N -0.768 119.196 120.400 -0.727 0.000 2.167 139 K HA -0.020 4.301 4.320 0.001 0.000 0.203 139 K C 1.425 177.771 176.600 -0.424 0.000 1.052 139 K CA 1.267 57.178 56.287 -0.627 0.000 0.956 139 K CB -0.266 31.797 32.500 -0.728 0.000 0.735 139 K HN 0.262 nan 8.250 nan 0.000 0.451 140 V N 1.553 121.250 119.914 -0.361 0.000 2.302 140 V HA -0.124 3.996 4.120 0.001 0.000 0.243 140 V C 1.995 177.952 176.094 -0.229 0.000 1.036 140 V CA 1.266 63.419 62.300 -0.246 0.000 1.020 140 V CB -0.221 31.486 31.823 -0.193 0.000 0.657 140 V HN 0.226 nan 8.190 nan 0.000 0.453 141 L N -0.257 120.813 121.223 -0.255 0.000 2.591 141 L HA 0.184 4.525 4.340 0.001 0.000 0.228 141 L C 0.769 177.467 176.870 -0.286 0.000 1.133 141 L CA 0.402 55.107 54.840 -0.226 0.000 0.880 141 L CB -0.467 41.474 42.059 -0.196 0.000 1.033 141 L HN 0.178 nan 8.230 nan 0.000 0.450 142 K N 0.856 120.999 120.400 -0.428 0.000 3.451 142 K HA -0.188 4.133 4.320 0.001 0.000 0.273 142 K C -0.692 175.548 176.600 -0.600 0.000 0.944 142 K CA 0.538 56.433 56.287 -0.652 0.000 0.734 142 K CB -1.346 30.954 32.500 -0.333 0.000 1.437 142 K HN 0.127 nan 8.250 nan 0.000 0.454 143 L N 0.082 120.941 121.223 -0.606 0.000 2.470 143 L HA 0.266 4.606 4.340 0.001 0.000 0.268 143 L C -0.058 176.579 176.870 -0.390 0.000 0.964 143 L CA -0.181 54.439 54.840 -0.368 0.000 0.839 143 L CB 2.194 44.101 42.059 -0.254 0.000 1.276 143 L HN 0.163 nan 8.230 nan 0.000 0.403 144 S N 3.115 118.614 115.700 -0.335 0.000 2.568 144 S HA 0.381 4.852 4.470 0.001 0.000 0.282 144 S C -0.378 173.947 174.600 -0.458 0.000 1.338 144 S CA -0.408 57.468 58.200 -0.540 0.000 1.045 144 S CB 0.395 63.030 63.200 -0.941 0.000 0.873 144 S HN 0.506 nan 8.310 nan 0.000 0.516 145 Q N 1.064 120.619 119.800 -0.407 0.000 2.416 145 Q HA 0.638 4.979 4.340 0.001 0.000 0.279 145 Q C -0.996 175.022 176.000 0.029 0.000 1.101 145 Q CA -0.788 54.924 55.803 -0.152 0.000 0.830 145 Q CB 2.032 30.717 28.738 -0.088 0.000 1.402 145 Q HN 0.752 nan 8.270 nan 0.000 0.445 146 S N -0.298 115.466 115.700 0.107 0.000 2.720 146 S HA 0.528 4.998 4.470 0.001 0.000 0.278 146 S C -0.525 174.088 174.600 0.022 0.000 1.172 146 S CA -0.710 57.631 58.200 0.236 0.000 1.019 146 S CB 0.168 63.623 63.200 0.425 0.000 1.049 146 S HN 0.506 nan 8.310 nan 0.000 0.483 147 I N 3.497 124.075 120.570 0.012 0.000 2.308 147 I HA 0.257 4.427 4.170 0.001 0.000 0.293 147 I C -0.636 175.373 176.117 -0.180 0.000 1.078 147 I CA -0.521 60.721 61.300 -0.098 0.000 1.292 147 I CB 0.278 38.277 38.000 -0.001 0.000 1.423 147 I HN 0.589 nan 8.210 nan 0.000 0.493 148 I N 7.782 128.155 120.570 -0.329 0.000 2.322 148 I HA 0.140 4.310 4.170 0.001 0.000 0.292 148 I C -0.010 176.028 176.117 -0.133 0.000 1.060 148 I CA -0.068 61.070 61.300 -0.271 0.000 1.309 148 I CB 0.649 38.484 38.000 -0.275 0.000 1.415 148 I HN 0.186 nan 8.210 nan 0.000 0.492 149 V N 5.570 125.419 119.914 -0.108 0.000 2.483 149 V HA 0.614 4.734 4.120 0.001 0.000 0.295 149 V C 0.278 176.341 176.094 -0.052 0.000 1.035 149 V CA -0.541 61.729 62.300 -0.050 0.000 0.896 149 V CB 1.525 33.326 31.823 -0.036 0.000 0.986 149 V HN 0.841 nan 8.190 nan 0.000 0.447 150 S N 2.505 118.189 115.700 -0.027 0.000 2.739 150 S HA 1.014 5.485 4.470 0.001 0.000 0.306 150 S C -0.086 174.512 174.600 -0.004 0.000 1.115 150 S CA -0.142 58.047 58.200 -0.018 0.000 0.985 150 S CB 1.995 65.187 63.200 -0.014 0.000 1.133 150 S HN 2.250 nan 8.310 nan 0.000 0.541 151 G N 0.562 109.366 108.800 0.005 0.000 2.535 151 G HA2 0.186 4.147 3.960 0.001 0.000 0.662 151 G HA3 0.186 4.147 3.960 0.001 0.000 0.662 151 G C -1.034 173.869 174.900 0.005 0.000 1.417 151 G CA -0.904 44.198 45.100 0.004 0.000 0.866 151 G HN 0.791 nan 8.290 nan 0.000 0.647 152 E N -0.083 120.122 120.200 0.008 0.000 3.196 152 E HA 0.562 4.913 4.350 0.001 0.000 0.268 152 E C 0.784 177.393 176.600 0.015 0.000 1.430 152 E CA -0.191 56.217 56.400 0.014 0.000 1.176 152 E CB 0.316 30.024 29.700 0.013 0.000 1.228 152 E HN 0.503 nan 8.360 nan 0.000 0.730 153 S N -0.269 115.447 115.700 0.025 0.000 2.565 153 S HA 0.395 4.865 4.470 0.001 0.000 0.276 153 S C 0.872 175.497 174.600 0.043 0.000 1.326 153 S CA 0.011 58.230 58.200 0.032 0.000 1.045 153 S CB 0.950 64.173 63.200 0.040 0.000 0.918 153 S HN 0.845 nan 8.310 nan 0.000 0.505 154 G N 1.204 110.036 108.800 0.054 0.000 2.176 154 G HA2 -0.242 3.719 3.960 0.001 0.000 0.253 154 G HA3 -0.242 3.719 3.960 0.001 0.000 0.253 154 G C 0.725 175.674 174.900 0.082 0.000 0.979 154 G CA 0.243 45.408 45.100 0.108 0.000 0.641 154 G HN 1.075 nan 8.290 nan 0.000 0.530 155 A N -0.160 122.668 122.820 0.013 0.000 2.169 155 A HA 0.563 4.883 4.320 0.001 0.000 0.212 155 A C 2.468 180.005 177.584 -0.079 0.000 1.153 155 A CA 1.931 53.945 52.037 -0.038 0.000 0.756 155 A CB -0.342 18.644 19.000 -0.024 0.000 0.813 155 A HN 2.457 nan 8.150 nan 0.000 0.471 156 G N -0.501 108.260 108.800 -0.065 0.000 2.131 156 G HA2 -0.226 3.734 3.960 0.001 0.000 0.201 156 G HA3 -0.226 3.734 3.960 0.001 0.000 0.201 156 G C 0.759 175.635 174.900 -0.040 0.000 1.000 156 G CA 0.514 45.569 45.100 -0.076 0.000 0.680 156 G HN 0.479 nan 8.290 nan 0.000 0.514 157 K N -0.383 119.999 120.400 -0.030 0.000 2.097 157 K HA -0.060 4.260 4.320 0.001 0.000 0.206 157 K C 2.536 179.114 176.600 -0.037 0.000 1.049 157 K CA 1.764 58.037 56.287 -0.024 0.000 0.933 157 K CB -0.234 32.249 32.500 -0.028 0.000 0.717 157 K HN 0.370 nan 8.250 nan 0.000 0.442 158 T N 1.220 115.743 114.554 -0.052 0.000 2.737 158 T HA -0.114 4.236 4.350 0.001 0.000 0.265 158 T C 1.642 176.255 174.700 -0.145 0.000 1.038 158 T CA 1.405 63.461 62.100 -0.075 0.000 1.144 158 T CB -0.123 68.710 68.868 -0.060 0.000 0.866 158 T HN 0.210 nan 8.240 nan 0.000 0.434 159 E N 1.154 121.248 120.200 -0.177 0.000 2.106 159 E HA -0.049 4.302 4.350 0.001 0.000 0.192 159 E C 2.219 178.598 176.600 -0.367 0.000 0.984 159 E CA 0.513 56.689 56.400 -0.373 0.000 0.806 159 E CB -0.260 29.270 29.700 -0.283 0.000 0.750 159 E HN 0.355 nan 8.360 nan 0.000 0.458 160 N N -0.313 118.360 118.700 -0.045 0.000 2.120 160 N HA -0.138 4.603 4.740 0.001 0.000 0.188 160 N C 1.296 176.860 175.510 0.090 0.000 1.024 160 N CA 1.675 54.806 53.050 0.136 0.000 0.852 160 N CB 0.080 38.633 38.487 0.111 0.000 1.003 160 N HN 0.140 nan 8.380 nan 0.000 0.424 161 T N 0.578 115.133 114.554 0.001 0.000 2.904 161 T HA -0.031 4.320 4.350 0.001 0.000 0.267 161 T C 2.269 176.964 174.700 -0.009 0.000 1.059 161 T CA 1.777 63.887 62.100 0.015 0.000 1.137 161 T CB -0.205 68.660 68.868 -0.005 0.000 0.879 161 T HN 0.484 nan 8.240 nan 0.000 0.467 162 K N 0.974 121.296 120.400 -0.129 0.000 2.147 162 K HA 0.047 4.368 4.320 0.001 0.000 0.205 162 K C 1.846 178.406 176.600 -0.066 0.000 1.049 162 K CA 1.239 57.420 56.287 -0.175 0.000 0.936 162 K CB -1.418 30.874 32.500 -0.345 0.000 0.722 162 K HN 0.582 nan 8.250 nan 0.000 0.446 163 F N -0.027 119.950 119.950 0.045 0.000 2.259 163 F HA -0.094 4.433 4.527 0.001 0.000 0.298 163 F C 2.306 178.280 175.800 0.290 0.000 1.088 163 F CA 0.400 58.502 58.000 0.171 0.000 1.358 163 F CB 0.190 39.231 39.000 0.069 0.000 1.040 163 F HN -0.039 nan 8.300 nan 0.000 0.505 164 V N 0.561 120.688 119.914 0.354 0.000 2.255 164 V HA -0.267 3.853 4.120 0.001 0.000 0.243 164 V C 2.286 178.533 176.094 0.254 0.000 1.038 164 V CA 1.454 63.931 62.300 0.295 0.000 1.008 164 V CB -0.610 31.338 31.823 0.207 0.000 0.645 164 V HN 0.270 nan 8.190 nan 0.000 0.449 165 L N -0.247 121.072 121.223 0.161 0.000 2.079 165 L HA -0.223 4.118 4.340 0.001 0.000 0.210 165 L C 2.668 179.583 176.870 0.074 0.000 1.081 165 L CA 2.002 56.898 54.840 0.093 0.000 0.752 165 L CB -0.695 41.375 42.059 0.019 0.000 0.896 165 L HN 0.291 nan 8.230 nan 0.000 0.433 166 R N -0.817 119.745 120.500 0.105 0.000 2.153 166 R HA -0.174 4.167 4.340 0.001 0.000 0.218 166 R C 2.309 178.618 176.300 0.016 0.000 1.072 166 R CA 0.894 57.035 56.100 0.067 0.000 0.990 166 R CB -0.321 30.052 30.300 0.121 0.000 0.889 166 R HN 0.293 nan 8.270 nan 0.000 0.452 167 Y N 0.111 120.371 120.300 -0.067 0.000 2.220 167 Y HA -0.062 4.489 4.550 0.001 0.000 0.291 167 Y C 1.455 177.211 175.900 -0.240 0.000 1.129 167 Y CA 1.565 59.487 58.100 -0.296 0.000 1.161 167 Y CB 0.059 38.286 38.460 -0.389 0.000 0.997 167 Y HN 0.008 nan 8.280 nan 0.000 0.522 168 L N -0.335 120.875 121.223 -0.023 0.000 2.313 168 L HA -0.114 4.226 4.340 0.001 0.000 0.214 168 L C 2.388 179.205 176.870 -0.088 0.000 1.119 168 L CA 1.505 56.338 54.840 -0.010 0.000 0.809 168 L CB -0.670 41.546 42.059 0.262 0.000 0.933 168 L HN 0.384 nan 8.230 nan 0.000 0.449 169 T N -3.950 110.540 114.554 -0.108 0.000 2.939 169 T HA -0.135 4.216 4.350 0.001 0.000 0.254 169 T C 1.670 176.259 174.700 -0.186 0.000 1.041 169 T CA 0.617 62.654 62.100 -0.106 0.000 1.142 169 T CB -0.110 68.711 68.868 -0.078 0.000 0.874 169 T HN 0.201 nan 8.240 nan 0.000 0.452 170 E N 0.975 121.023 120.200 -0.254 0.000 2.204 170 E HA -0.067 4.284 4.350 0.001 0.000 0.195 170 E C 2.062 178.400 176.600 -0.436 0.000 0.990 170 E CA 1.072 57.297 56.400 -0.291 0.000 0.821 170 E CB -0.042 29.492 29.700 -0.277 0.000 0.750 170 E HN 0.511 nan 8.360 nan 0.000 0.477 171 S N -1.240 114.039 115.700 -0.701 0.000 2.427 171 S HA 0.059 4.529 4.470 0.001 0.000 0.224 171 S C 0.229 174.245 174.600 -0.973 0.000 1.047 171 S CA 0.268 57.822 58.200 -1.077 0.000 0.953 171 S CB 0.236 62.322 63.200 -1.857 0.000 0.824 171 S HN 0.328 nan 8.310 nan 0.000 0.502 172 Y N 0.717 120.813 120.300 -0.339 0.000 2.666 172 Y HA 0.532 5.082 4.550 0.000 0.000 0.264 172 Y C 0.474 176.344 175.900 -0.049 0.000 1.054 172 Y CA -0.835 57.119 58.100 -0.244 0.000 1.121 172 Y CB 1.050 39.160 38.460 -0.584 0.000 1.190 172 Y HN 0.187 nan 8.280 nan 0.000 0.587 173 G N -0.137 108.674 108.800 0.018 0.000 2.740 173 G HA2 0.326 4.287 3.960 0.001 0.000 0.296 173 G HA3 0.326 4.287 3.960 0.001 0.000 0.296 173 G C -0.860 174.033 174.900 -0.011 0.000 1.439 173 G CA -0.661 44.450 45.100 0.018 0.000 1.066 173 G HN -0.065 nan 8.290 nan 0.000 0.527 174 T N 2.442 117.001 114.554 0.008 0.000 2.840 174 T HA 0.438 4.789 4.350 0.001 0.000 0.276 174 T C 1.549 176.242 174.700 -0.012 0.000 0.912 174 T CA 1.427 63.526 62.100 0.000 0.000 1.116 174 T CB -0.015 68.861 68.868 0.014 0.000 0.895 174 T HN 1.815 nan 8.240 nan 0.000 0.570 175 G N 3.581 112.366 108.800 -0.025 0.000 2.889 175 G HA2 -0.324 3.637 3.960 0.001 0.000 0.308 175 G HA3 -0.324 3.637 3.960 0.001 0.000 0.308 175 G C -0.151 174.729 174.900 -0.034 0.000 1.248 175 G CA 0.279 45.363 45.100 -0.026 0.000 0.982 175 G HN 0.834 nan 8.290 nan 0.000 0.571 176 Q N 0.532 120.316 119.800 -0.027 0.000 2.486 176 Q HA -0.051 4.289 4.340 0.001 0.000 0.277 176 Q C -0.631 175.341 176.000 -0.047 0.000 1.324 176 Q CA 1.247 57.027 55.803 -0.038 0.000 0.738 176 Q CB -0.777 27.930 28.738 -0.052 0.000 0.849 176 Q HN 0.813 nan 8.270 nan 0.000 0.311 177 D N 1.711 122.086 120.400 -0.041 0.000 2.772 177 D HA 0.227 4.867 4.640 0.001 0.000 0.272 177 D C 1.587 177.844 176.300 -0.072 0.000 1.314 177 D CA 0.588 54.561 54.000 -0.044 0.000 0.835 177 D CB -0.343 40.444 40.800 -0.022 0.000 1.080 177 D HN 0.588 nan 8.370 nan 0.000 0.482 178 I N 0.677 121.173 120.570 -0.123 0.000 2.493 178 I HA -0.241 3.929 4.170 0.001 0.000 0.254 178 I C 2.115 178.085 176.117 -0.246 0.000 1.160 178 I CA 1.955 63.106 61.300 -0.249 0.000 1.445 178 I CB -1.081 36.723 38.000 -0.326 0.000 1.086 178 I HN 0.078 nan 8.210 nan 0.000 0.433 179 D N -0.102 120.210 120.400 -0.148 0.000 2.178 179 D HA -0.235 4.405 4.640 0.001 0.000 0.201 179 D C 1.436 177.684 176.300 -0.087 0.000 0.980 179 D CA 1.517 55.451 54.000 -0.110 0.000 0.842 179 D CB -0.437 40.322 40.800 -0.068 0.000 0.948 179 D HN 0.576 nan 8.370 nan 0.000 0.472 180 D N -0.332 120.027 120.400 -0.069 0.000 2.249 180 D HA -0.000 4.640 4.640 0.001 0.000 0.205 180 D C 1.935 178.223 176.300 -0.020 0.000 0.962 180 D CA 0.314 54.290 54.000 -0.040 0.000 0.860 180 D CB 0.096 40.880 40.800 -0.026 0.000 0.955 180 D HN 0.136 nan 8.370 nan 0.000 0.505 181 R N 0.272 120.760 120.500 -0.021 0.000 2.161 181 R HA 0.100 4.440 4.340 0.001 0.000 0.213 181 R C 2.185 178.535 176.300 0.084 0.000 1.055 181 R CA 0.040 56.174 56.100 0.056 0.000 0.996 181 R CB -0.330 30.061 30.300 0.152 0.000 0.901 181 R HN 0.216 nan 8.270 nan 0.000 0.456 182 I N 0.138 120.702 120.570 -0.010 0.000 2.353 182 I HA -0.192 3.979 4.170 0.001 0.000 0.248 182 I C 2.163 178.294 176.117 0.023 0.000 1.119 182 I CA 0.907 62.217 61.300 0.017 0.000 1.417 182 I CB -0.042 37.913 38.000 -0.076 0.000 1.078 182 I HN -0.180 nan 8.210 nan 0.000 0.421 183 V N -0.158 119.752 119.914 -0.006 0.000 2.548 183 V HA -0.214 3.907 4.120 0.001 0.000 0.249 183 V C 2.190 178.289 176.094 0.008 0.000 1.055 183 V CA 1.573 63.870 62.300 -0.006 0.000 1.065 183 V CB -0.576 31.229 31.823 -0.031 0.000 0.681 183 V HN 0.409 nan 8.190 nan 0.000 0.462 184 E N 0.229 120.436 120.200 0.013 0.000 2.208 184 E HA -0.020 4.330 4.350 0.001 0.000 0.193 184 E C 2.069 178.682 176.600 0.022 0.000 0.988 184 E CA 1.002 57.411 56.400 0.014 0.000 0.828 184 E CB -0.171 29.537 29.700 0.013 0.000 0.763 184 E HN 0.580 nan 8.360 nan 0.000 0.478 185 A N 0.629 123.473 122.820 0.040 0.000 2.238 185 A HA 0.018 4.339 4.320 0.001 0.000 0.210 185 A C 1.656 179.271 177.584 0.051 0.000 1.179 185 A CA 0.078 52.138 52.037 0.039 0.000 0.827 185 A CB -0.029 19.006 19.000 0.060 0.000 0.856 185 A HN 0.083 nan 8.150 nan 0.000 0.488 186 N N 0.790 119.525 118.700 0.057 0.000 2.142 186 N HA -0.084 4.656 4.740 0.001 0.000 0.186 186 N C -1.022 174.547 175.510 0.097 0.000 1.023 186 N CA 1.392 54.491 53.050 0.081 0.000 0.852 186 N CB -0.892 37.633 38.487 0.064 0.000 0.998 186 N HN 0.233 nan 8.380 nan 0.000 0.424 187 P HA -0.103 nan 4.420 nan 0.000 0.220 187 P C 1.570 178.935 177.300 0.107 0.000 1.144 187 P CA 0.659 63.804 63.100 0.076 0.000 0.800 187 P CB 0.061 31.783 31.700 0.037 0.000 0.772 188 L N -1.348 119.939 121.223 0.108 0.000 2.095 188 L HA -0.023 4.318 4.340 0.001 0.000 0.204 188 L C 2.098 179.114 176.870 0.242 0.000 1.080 188 L CA 1.546 56.481 54.840 0.157 0.000 0.759 188 L CB -1.113 40.993 42.059 0.079 0.000 0.914 188 L HN -0.153 nan 8.230 nan 0.000 0.439 189 L N -0.745 120.586 121.223 0.181 0.000 2.141 189 L HA -0.173 4.168 4.340 0.001 0.000 0.209 189 L C 2.385 179.461 176.870 0.344 0.000 1.094 189 L CA 1.246 56.227 54.840 0.235 0.000 0.763 189 L CB -0.495 41.703 42.059 0.232 0.000 0.908 189 L HN 0.318 nan 8.230 nan 0.000 0.437 190 E N -0.183 120.194 120.200 0.296 0.000 2.274 190 E HA -0.139 4.212 4.350 0.001 0.000 0.194 190 E C 2.219 179.015 176.600 0.327 0.000 0.996 190 E CA 0.767 57.361 56.400 0.322 0.000 0.840 190 E CB 0.067 29.920 29.700 0.256 0.000 0.772 190 E HN 0.487 nan 8.360 nan 0.000 0.491 191 A N 0.148 123.106 122.820 0.230 0.000 1.854 191 A HA -0.105 4.215 4.320 0.001 0.000 0.214 191 A C 1.623 179.184 177.584 -0.039 0.000 1.192 191 A CA 0.971 53.045 52.037 0.062 0.000 0.611 191 A CB -0.547 18.357 19.000 -0.159 0.000 0.832 191 A HN 0.251 nan 8.150 nan 0.000 0.442 192 F N -0.466 119.583 119.950 0.165 0.000 2.789 192 F HA 0.221 4.749 4.527 0.001 0.000 0.300 192 F C 2.195 177.833 175.800 -0.270 0.000 1.132 192 F CA 0.710 58.745 58.000 0.059 0.000 1.404 192 F CB 0.223 39.263 39.000 0.067 0.000 1.114 192 F HN 0.323 nan 8.300 nan 0.000 0.584 193 G N -1.392 107.428 108.800 0.034 0.000 2.759 193 G HA2 0.094 4.054 3.960 0.001 0.000 0.208 193 G HA3 0.094 4.054 3.960 0.001 0.000 0.208 193 G C 0.394 175.495 174.900 0.335 0.000 1.076 193 G CA -0.217 44.762 45.100 -0.202 0.000 0.789 193 G HN 0.110 nan 8.290 nan 0.000 0.546 194 N N 0.313 119.227 118.700 0.357 0.000 2.443 194 N HA 0.667 5.407 4.740 0.001 0.000 0.293 194 N C -0.878 174.542 175.510 -0.150 0.000 1.159 194 N CA -0.036 53.146 53.050 0.220 0.000 0.904 194 N CB 2.111 40.751 38.487 0.254 0.000 1.214 194 N HN 0.245 nan 8.380 nan 0.000 0.513 195 A N 0.743 123.381 122.820 -0.304 0.000 2.601 195 A HA 0.310 4.631 4.320 0.001 0.000 0.291 195 A C -1.341 176.144 177.584 -0.165 0.000 1.075 195 A CA -0.728 51.065 52.037 -0.406 0.000 0.671 195 A CB 1.256 20.074 19.000 -0.304 0.000 1.277 195 A HN 0.630 nan 8.150 nan 0.000 0.417 196 K N 1.269 121.643 120.400 -0.042 0.000 2.285 196 K HA 0.511 4.831 4.320 0.001 0.000 0.286 196 K C 0.280 176.887 176.600 0.011 0.000 1.072 196 K CA 0.308 56.646 56.287 0.085 0.000 0.913 196 K CB 0.435 33.047 32.500 0.187 0.000 1.067 196 K HN 0.871 nan 8.250 nan 0.000 0.479 197 T N -0.363 114.207 114.554 0.027 0.000 2.884 197 T HA 0.154 4.505 4.350 0.001 0.000 0.277 197 T C 1.402 176.107 174.700 0.009 0.000 0.976 197 T CA -0.939 61.162 62.100 0.002 0.000 0.956 197 T CB 1.159 70.050 68.868 0.038 0.000 1.113 197 T HN 0.226 nan 8.240 nan 0.000 0.554 198 V N 0.484 120.383 119.914 -0.025 0.000 2.407 198 V HA -0.066 4.055 4.120 0.001 0.000 0.248 198 V C 2.716 178.845 176.094 0.059 0.000 1.055 198 V CA 1.640 63.930 62.300 -0.016 0.000 1.049 198 V CB -0.906 30.856 31.823 -0.102 0.000 0.662 198 V HN 0.762 nan 8.190 nan 0.000 0.455 199 R N -0.512 120.055 120.500 0.113 0.000 2.290 199 R HA 0.207 4.547 4.340 0.001 0.000 0.197 199 R C -0.023 176.317 176.300 0.066 0.000 0.913 199 R CA 0.135 56.294 56.100 0.099 0.000 1.040 199 R CB 0.385 30.758 30.300 0.122 0.000 0.992 199 R HN 0.461 nan 8.270 nan 0.000 0.500 200 N N 0.227 118.970 118.700 0.072 0.000 2.542 200 N HA 0.091 4.832 4.740 0.001 0.000 0.288 200 N C -0.794 174.764 175.510 0.081 0.000 1.115 200 N CA -0.346 52.742 53.050 0.064 0.000 0.924 200 N CB 1.613 40.134 38.487 0.058 0.000 1.526 200 N HN -0.073 nan 8.380 nan 0.000 0.515 201 N N 1.098 119.849 118.700 0.085 0.000 2.084 201 N HA -0.125 4.616 4.740 0.001 0.000 0.190 201 N C 0.307 175.883 175.510 0.110 0.000 1.030 201 N CA 1.139 54.263 53.050 0.124 0.000 0.849 201 N CB 0.118 38.621 38.487 0.027 0.000 1.012 201 N HN 0.589 nan 8.380 nan 0.000 0.423 202 N N 0.640 119.378 118.700 0.063 0.000 2.707 202 N HA 0.095 4.836 4.740 0.001 0.000 0.235 202 N C -1.471 174.108 175.510 0.115 0.000 1.028 202 N CA 0.020 53.155 53.050 0.142 0.000 0.906 202 N CB 0.480 39.010 38.487 0.072 0.000 1.131 202 N HN -0.075 nan 8.380 nan 0.000 0.509 203 S N 2.222 117.984 115.700 0.104 0.000 2.605 203 S HA 0.209 4.679 4.470 0.001 0.000 0.308 203 S C -0.560 174.102 174.600 0.103 0.000 1.113 203 S CA -0.561 57.687 58.200 0.080 0.000 1.049 203 S CB 1.457 64.695 63.200 0.064 0.000 1.001 203 S HN 0.405 nan 8.310 nan 0.000 0.480 204 S N 3.621 119.378 115.700 0.094 0.000 2.481 204 S HA 0.354 4.825 4.470 0.001 0.000 0.276 204 S C 0.344 175.025 174.600 0.134 0.000 1.247 204 S CA -0.546 57.723 58.200 0.115 0.000 1.053 204 S CB -0.019 63.127 63.200 -0.091 0.000 0.925 204 S HN 0.679 nan 8.310 nan 0.000 0.491 205 R N 4.377 125.073 120.500 0.326 0.000 2.831 205 R HA 0.283 4.624 4.340 0.001 0.000 0.337 205 R C -0.783 175.782 176.300 0.441 0.000 1.200 205 R CA -0.112 56.179 56.100 0.318 0.000 1.088 205 R CB -1.227 29.270 30.300 0.329 0.000 1.397 205 R HN 0.683 nan 8.270 nan 0.000 0.581 206 F N -4.218 115.820 119.950 0.148 0.000 2.678 206 F HA 0.633 5.161 4.527 0.001 0.000 0.308 206 F C 0.032 175.943 175.800 0.186 0.000 1.118 206 F CA -1.704 56.401 58.000 0.173 0.000 0.959 206 F CB 0.832 39.941 39.000 0.183 0.000 1.305 206 F HN -0.065 nan 8.300 nan 0.000 0.443 207 G N 2.667 111.588 108.800 0.201 0.000 2.396 207 G HA2 0.339 4.300 3.960 0.001 0.000 0.292 207 G HA3 0.339 4.300 3.960 0.001 0.000 0.292 207 G C -0.974 174.042 174.900 0.194 0.000 1.106 207 G CA -0.596 44.583 45.100 0.130 0.000 1.055 207 G HN 0.866 nan 8.290 nan 0.000 0.424 208 K N 2.221 122.581 120.400 -0.066 0.000 2.201 208 K HA 0.465 4.786 4.320 0.001 0.000 0.278 208 K C -1.253 175.434 176.600 0.146 0.000 1.027 208 K CA -0.768 55.563 56.287 0.074 0.000 0.909 208 K CB 0.632 33.063 32.500 -0.116 0.000 1.062 208 K HN 0.229 nan 8.250 nan 0.000 0.465 209 F N 5.656 125.701 119.950 0.159 0.000 2.564 209 F HA 0.247 4.775 4.527 0.001 0.000 0.361 209 F C -0.861 175.013 175.800 0.124 0.000 1.161 209 F CA -0.891 57.204 58.000 0.159 0.000 1.198 209 F CB 0.632 39.792 39.000 0.268 0.000 1.424 209 F HN 0.171 nan 8.300 nan 0.000 0.517 210 V N 4.506 124.620 119.914 0.334 0.000 2.673 210 V HA 0.137 4.257 4.120 0.001 0.000 0.303 210 V C -0.135 176.148 176.094 0.315 0.000 1.046 210 V CA 0.197 62.645 62.300 0.246 0.000 1.126 210 V CB 0.611 32.515 31.823 0.136 0.000 0.934 210 V HN 0.644 nan 8.190 nan 0.000 0.487 211 E N 4.778 125.124 120.200 0.243 0.000 2.321 211 E HA 0.462 4.812 4.350 0.001 0.000 0.281 211 E C -1.744 174.956 176.600 0.167 0.000 0.910 211 E CA -0.966 55.558 56.400 0.207 0.000 0.770 211 E CB 1.935 31.640 29.700 0.009 0.000 1.225 211 E HN 0.332 nan 8.360 nan 0.000 0.417 212 I N 2.789 123.422 120.570 0.105 0.000 2.325 212 I HA 0.264 4.434 4.170 0.001 0.000 0.291 212 I C -0.148 175.842 176.117 -0.211 0.000 1.019 212 I CA -0.569 60.689 61.300 -0.069 0.000 1.302 212 I CB -0.215 37.713 38.000 -0.121 0.000 1.401 212 I HN 0.591 nan 8.210 nan 0.000 0.485 213 H N 6.053 124.894 119.070 -0.382 0.000 2.467 213 H HA 0.562 5.119 4.556 0.001 0.000 0.331 213 H C -0.944 174.069 175.328 -0.525 0.000 1.120 213 H CA 0.092 55.912 56.048 -0.379 0.000 1.270 213 H CB 1.106 30.396 29.762 -0.786 0.000 1.466 213 H HN 0.303 nan 8.280 nan 0.000 0.504 214 F N 1.734 121.700 119.950 0.026 0.000 2.520 214 F HA 0.228 4.755 4.527 0.001 0.000 0.322 214 F C 0.390 176.190 175.800 -0.000 0.000 1.103 214 F CA -1.236 56.796 58.000 0.053 0.000 0.926 214 F CB 1.096 40.176 39.000 0.133 0.000 1.154 214 F HN 0.615 nan 8.300 nan 0.000 0.453 215 N N 0.476 119.278 118.700 0.169 0.000 0.000 215 N HA 0.039 4.780 4.740 0.001 0.000 0.000 215 N C 0.757 176.301 175.510 0.056 0.000 0.000 215 N CA -0.302 52.790 53.050 0.070 0.000 0.000 215 N CB 0.306 38.834 38.487 0.068 0.000 0.000 215 N HN 0.621 nan 8.380 nan 0.000 0.000 216 E N -0.984 119.217 120.200 0.001 0.000 2.171 216 E HA -0.164 4.187 4.350 0.001 0.000 0.197 216 E C 0.576 177.231 176.600 0.093 0.000 0.997 216 E CA 1.506 57.916 56.400 0.018 0.000 0.810 216 E CB -0.019 29.683 29.700 0.004 0.000 0.738 216 E HN 0.546 nan 8.360 nan 0.000 0.467 217 K N -0.445 120.009 120.400 0.090 0.000 2.458 217 K HA 0.216 4.537 4.320 0.001 0.000 0.194 217 K C -0.310 176.358 176.600 0.114 0.000 1.024 217 K CA 0.357 56.697 56.287 0.087 0.000 1.108 217 K CB 0.590 33.137 32.500 0.078 0.000 0.846 217 K HN -0.114 nan 8.250 nan 0.000 0.518 218 S N 0.486 116.283 115.700 0.161 0.000 3.886 218 S HA -0.132 4.339 4.470 0.001 0.000 0.398 218 S C -0.536 174.307 174.600 0.406 0.000 0.931 218 S CA 0.615 58.924 58.200 0.182 0.000 1.217 218 S CB -2.033 61.100 63.200 -0.111 0.000 0.874 218 S HN 0.505 nan 8.310 nan 0.000 0.521 219 S N -1.288 114.684 115.700 0.454 0.000 2.548 219 S HA 0.694 5.165 4.470 0.001 0.000 0.276 219 S C -0.216 174.533 174.600 0.248 0.000 1.129 219 S CA -0.991 57.443 58.200 0.390 0.000 0.931 219 S CB 1.854 65.182 63.200 0.213 0.000 1.068 219 S HN 0.378 nan 8.310 nan 0.000 0.480 220 V N 3.709 123.679 119.914 0.093 0.000 2.458 220 V HA 0.047 4.168 4.120 0.001 0.000 0.287 220 V C 1.537 177.562 176.094 -0.114 0.000 1.009 220 V CA 0.557 62.727 62.300 -0.217 0.000 1.091 220 V CB 0.117 31.816 31.823 -0.207 0.000 0.960 220 V HN 0.996 nan 8.190 nan 0.000 0.476 221 V N 2.388 122.209 119.914 -0.155 0.000 3.085 221 V HA 0.721 4.841 4.120 0.001 0.000 0.245 221 V C 0.827 176.889 176.094 -0.054 0.000 1.114 221 V CA 1.130 63.389 62.300 -0.069 0.000 1.108 221 V CB 0.111 31.911 31.823 -0.038 0.000 0.798 221 V HN 0.944 nan 8.190 nan 0.000 0.471 222 G N -1.240 107.456 108.800 -0.174 0.000 2.570 222 G HA2 0.639 4.600 3.960 0.001 0.000 0.310 222 G HA3 0.639 4.600 3.960 0.001 0.000 0.310 222 G C -0.788 174.077 174.900 -0.057 0.000 1.266 222 G CA -0.179 44.907 45.100 -0.024 0.000 0.825 222 G HN 0.945 nan 8.290 nan 0.000 0.483 223 G N -1.659 107.310 108.800 0.281 0.000 2.672 223 G HA2 0.760 4.720 3.960 0.001 0.000 0.292 223 G HA3 0.760 4.720 3.960 0.001 0.000 0.292 223 G C -2.230 173.136 174.900 0.777 0.000 1.375 223 G CA -0.676 44.620 45.100 0.327 0.000 0.890 223 G HN 1.089 nan 8.290 nan 0.000 0.476 224 F N 0.183 120.395 119.950 0.437 0.000 2.650 224 F HA 0.563 5.091 4.527 0.001 0.000 0.310 224 F C -1.311 174.644 175.800 0.257 0.000 1.112 224 F CA -0.706 57.514 58.000 0.367 0.000 0.986 224 F CB 2.308 41.478 39.000 0.284 0.000 1.285 224 F HN 0.410 nan 8.300 nan 0.000 0.440 225 V N 4.452 124.067 119.914 -0.499 0.000 2.340 225 V HA 0.368 4.489 4.120 0.001 0.000 0.277 225 V C -0.521 175.369 176.094 -0.339 0.000 1.017 225 V CA -0.601 61.575 62.300 -0.206 0.000 0.820 225 V CB 1.094 32.852 31.823 -0.108 0.000 1.028 225 V HN 0.778 nan 8.190 nan 0.000 0.436 226 S N 4.427 120.139 115.700 0.020 0.000 2.601 226 S HA 0.592 5.063 4.470 0.001 0.000 0.271 226 S C -0.302 174.301 174.600 0.005 0.000 1.305 226 S CA -0.537 57.695 58.200 0.053 0.000 1.022 226 S CB 0.618 63.911 63.200 0.154 0.000 0.940 226 S HN 0.915 nan 8.310 nan 0.000 0.525 227 H N -0.077 118.734 119.070 -0.431 0.000 2.771 227 H HA 0.571 5.127 4.556 0.001 0.000 0.361 227 H C -2.074 172.942 175.328 -0.519 0.000 1.108 227 H CA -0.850 55.076 56.048 -0.203 0.000 1.201 227 H CB 0.376 30.156 29.762 0.031 0.000 1.681 227 H HN 0.617 nan 8.280 nan 0.000 0.534 228 Y N 1.463 121.889 120.300 0.210 0.000 2.512 228 Y HA 0.310 4.860 4.550 0.001 0.000 0.348 228 Y C 0.570 176.557 175.900 0.145 0.000 0.990 228 Y CA -1.474 56.666 58.100 0.067 0.000 1.033 228 Y CB 2.035 40.517 38.460 0.036 0.000 1.259 228 Y HN 0.631 nan 8.280 nan 0.000 0.461 229 L N 1.619 122.969 121.223 0.212 0.000 3.677 229 L HA -0.250 4.091 4.340 0.001 0.000 0.464 229 L C -0.493 176.546 176.870 0.282 0.000 1.278 229 L CA 0.022 54.970 54.840 0.180 0.000 0.806 229 L CB -1.294 40.800 42.059 0.058 0.000 1.610 229 L HN 0.491 nan 8.230 nan 0.000 0.867 230 L N 1.241 122.627 121.223 0.271 0.000 2.499 230 L HA 0.097 4.438 4.340 0.001 0.000 0.273 230 L C 1.141 178.163 176.870 0.254 0.000 1.195 230 L CA 0.677 55.652 54.840 0.224 0.000 0.882 230 L CB 0.648 42.734 42.059 0.045 0.000 1.133 230 L HN 0.210 nan 8.230 nan 0.000 0.483 231 E N 3.950 124.328 120.200 0.296 0.000 2.159 231 E HA 0.010 4.361 4.350 0.001 0.000 0.272 231 E C 0.192 176.943 176.600 0.253 0.000 1.138 231 E CA -0.367 56.192 56.400 0.265 0.000 0.915 231 E CB 0.575 30.401 29.700 0.210 0.000 1.028 231 E HN 0.523 nan 8.360 nan 0.000 0.423 232 K N 1.686 122.210 120.400 0.207 0.000 2.167 232 K HA -0.076 4.245 4.320 0.001 0.000 0.203 232 K C 2.002 178.654 176.600 0.087 0.000 1.052 232 K CA 1.027 57.417 56.287 0.172 0.000 0.956 232 K CB -0.190 32.409 32.500 0.164 0.000 0.735 232 K HN 0.500 nan 8.250 nan 0.000 0.451 233 S N 1.054 116.794 115.700 0.067 0.000 2.423 233 S HA -0.132 4.339 4.470 0.001 0.000 0.231 233 S C 2.129 176.691 174.600 -0.063 0.000 1.014 233 S CA 0.778 58.982 58.200 0.006 0.000 0.965 233 S CB -0.156 63.064 63.200 0.032 0.000 0.785 233 S HN 0.229 nan 8.310 nan 0.000 0.495 234 R N 0.788 121.239 120.500 -0.081 0.000 2.152 234 R HA 0.104 4.445 4.340 0.001 0.000 0.232 234 R C 2.054 178.196 176.300 -0.263 0.000 1.117 234 R CA 1.341 57.318 56.100 -0.205 0.000 0.981 234 R CB -0.483 29.600 30.300 -0.361 0.000 0.870 234 R HN 0.532 nan 8.270 nan 0.000 0.451 235 I N -0.575 119.873 120.570 -0.204 0.000 2.264 235 I HA -0.363 3.808 4.170 0.001 0.000 0.248 235 I C 1.904 177.698 176.117 -0.538 0.000 1.111 235 I CA 1.083 62.197 61.300 -0.311 0.000 1.382 235 I CB -0.056 37.819 38.000 -0.208 0.000 1.060 235 I HN 0.309 nan 8.210 nan 0.000 0.418 236 C N -1.122 117.881 119.300 -0.495 0.000 2.791 236 C HA 0.406 4.866 4.460 0.001 0.000 0.288 236 C C 0.729 175.577 174.990 -0.236 0.000 1.271 236 C CA -0.271 58.332 59.018 -0.691 0.000 1.726 236 C CB 0.539 27.990 27.740 -0.480 0.000 2.145 236 C HN 0.285 nan 8.230 nan 0.000 0.572 237 V N 0.924 120.739 119.914 -0.164 0.000 3.000 237 V HA 0.533 4.654 4.120 0.001 0.000 0.300 237 V C -2.209 173.832 176.094 -0.088 0.000 1.251 237 V CA -0.155 62.101 62.300 -0.073 0.000 0.972 237 V CB 2.276 34.082 31.823 -0.029 0.000 1.065 237 V HN 0.418 nan 8.190 nan 0.000 0.431 238 Q N 2.845 122.605 119.800 -0.067 0.000 2.495 238 Q HA 0.784 5.125 4.340 0.001 0.000 0.287 238 Q C 0.038 176.003 176.000 -0.058 0.000 1.078 238 Q CA 0.099 55.857 55.803 -0.075 0.000 0.793 238 Q CB 1.877 30.563 28.738 -0.086 0.000 1.459 238 Q HN 1.040 nan 8.270 nan 0.000 0.422 239 G N 0.584 109.341 108.800 -0.072 0.000 2.599 239 G HA2 0.374 4.335 3.960 0.001 0.000 0.264 239 G HA3 0.374 4.335 3.960 0.001 0.000 0.264 239 G C -0.540 174.319 174.900 -0.068 0.000 1.200 239 G CA -0.695 44.364 45.100 -0.068 0.000 0.896 239 G HN 0.560 nan 8.290 nan 0.000 0.536 240 K N -0.269 120.095 120.400 -0.060 0.000 2.230 240 K HA 0.117 4.437 4.320 0.001 0.000 0.253 240 K C 0.138 176.692 176.600 -0.076 0.000 1.008 240 K CA 0.440 56.691 56.287 -0.060 0.000 0.910 240 K CB 0.846 33.317 32.500 -0.049 0.000 0.994 240 K HN 0.771 nan 8.250 nan 0.000 0.495 241 E N -1.186 118.969 120.200 -0.076 0.000 3.870 241 E HA -0.235 4.115 4.350 0.001 0.000 0.329 241 E C -0.469 176.085 176.600 -0.078 0.000 0.702 241 E CA 1.590 57.944 56.400 -0.077 0.000 1.174 241 E CB -0.742 28.914 29.700 -0.074 0.000 1.619 241 E HN 0.778 nan 8.360 nan 0.000 0.441 242 E N -0.290 119.859 120.200 -0.086 0.000 2.370 242 E HA 0.655 5.006 4.350 0.001 0.000 0.259 242 E C -0.094 176.453 176.600 -0.088 0.000 0.947 242 E CA -0.800 55.550 56.400 -0.083 0.000 0.809 242 E CB 1.812 31.453 29.700 -0.099 0.000 1.300 242 E HN -0.021 nan 8.360 nan 0.000 0.419 243 R N 0.433 120.883 120.500 -0.084 0.000 2.764 243 R HA 0.318 4.658 4.340 0.001 0.000 0.270 243 R C -0.288 175.997 176.300 -0.025 0.000 1.014 243 R CA -0.923 55.146 56.100 -0.052 0.000 0.904 243 R CB 1.321 31.506 30.300 -0.193 0.000 1.236 243 R HN 0.435 nan 8.270 nan 0.000 0.466 244 N N 0.309 119.076 118.700 0.112 0.000 2.255 244 N HA 0.027 4.767 4.740 0.001 0.000 0.253 244 N C -0.494 175.070 175.510 0.091 0.000 1.313 244 N CA 0.447 53.478 53.050 -0.032 0.000 0.912 244 N CB 0.200 38.595 38.487 -0.153 0.000 1.145 244 N HN 0.237 nan 8.380 nan 0.000 0.511 245 Y N 0.618 121.068 120.300 0.249 0.000 2.652 245 Y HA -0.068 4.482 4.550 0.001 0.000 0.344 245 Y C 1.928 178.060 175.900 0.387 0.000 1.254 245 Y CA 0.643 58.881 58.100 0.230 0.000 1.480 245 Y CB 0.085 38.684 38.460 0.231 0.000 1.345 245 Y HN 0.612 nan 8.280 nan 0.000 0.617 246 H N 1.069 120.395 119.070 0.427 0.000 2.456 246 H HA -0.168 4.389 4.556 0.001 0.000 0.296 246 H C 1.994 177.462 175.328 0.234 0.000 1.079 246 H CA 1.051 57.309 56.048 0.349 0.000 1.322 246 H CB 0.158 30.055 29.762 0.225 0.000 1.388 246 H HN 0.667 nan 8.280 nan 0.000 0.538 247 I N 0.451 121.080 120.570 0.099 0.000 2.264 247 I HA -0.277 3.894 4.170 0.001 0.000 0.248 247 I C 1.385 177.388 176.117 -0.191 0.000 1.111 247 I CA 1.344 62.486 61.300 -0.264 0.000 1.382 247 I CB -0.383 37.085 38.000 -0.886 0.000 1.060 247 I HN 0.106 nan 8.210 nan 0.000 0.418 248 F N -0.600 119.338 119.950 -0.019 0.000 2.126 248 F HA -0.264 4.263 4.527 0.001 0.000 0.299 248 F C 2.051 177.713 175.800 -0.230 0.000 1.096 248 F CA 1.916 59.787 58.000 -0.215 0.000 1.255 248 F CB -0.800 37.946 39.000 -0.424 0.000 0.997 248 F HN 0.098 nan 8.300 nan 0.000 0.479 249 Y N -0.903 119.569 120.300 0.286 0.000 2.347 249 Y HA 0.040 4.591 4.550 0.001 0.000 0.294 249 Y C 2.335 178.353 175.900 0.197 0.000 1.117 249 Y CA 0.359 58.656 58.100 0.328 0.000 1.184 249 Y CB -0.597 38.080 38.460 0.363 0.000 1.047 249 Y HN -0.198 nan 8.280 nan 0.000 0.546 250 R N -0.058 120.606 120.500 0.273 0.000 2.117 250 R HA -0.193 4.147 4.340 0.001 0.000 0.243 250 R C 2.022 178.257 176.300 -0.108 0.000 1.143 250 R CA 1.740 57.908 56.100 0.114 0.000 0.968 250 R CB -0.570 29.831 30.300 0.169 0.000 0.863 250 R HN 0.307 nan 8.270 nan 0.000 0.444 251 L N -0.386 120.735 121.223 -0.170 0.000 2.209 251 L HA -0.032 4.309 4.340 0.001 0.000 0.207 251 L C 1.752 178.367 176.870 -0.425 0.000 1.094 251 L CA 1.316 55.881 54.840 -0.459 0.000 0.790 251 L CB 0.071 41.879 42.059 -0.419 0.000 0.932 251 L HN 0.127 nan 8.230 nan 0.000 0.447 252 C N -0.506 118.681 119.300 -0.188 0.000 2.522 252 C HA 0.275 4.735 4.460 0.001 0.000 0.271 252 C C 2.479 177.348 174.990 -0.203 0.000 1.425 252 C CA 0.524 59.497 59.018 -0.075 0.000 1.751 252 C CB -1.402 26.444 27.740 0.177 0.000 1.775 252 C HN 0.691 nan 8.230 nan 0.000 0.557 253 A N -0.345 122.219 122.820 -0.427 0.000 2.026 253 A HA 0.429 4.750 4.320 0.001 0.000 0.201 253 A C 2.117 179.453 177.584 -0.414 0.000 1.318 253 A CA 1.015 52.699 52.037 -0.589 0.000 0.857 253 A CB -0.623 17.856 19.000 -0.867 0.000 0.939 253 A HN 0.434 nan 8.150 nan 0.000 0.476 254 G N -0.500 107.903 108.800 -0.662 0.000 2.921 254 G HA2 0.439 4.400 3.960 0.001 0.000 0.213 254 G HA3 0.439 4.400 3.960 0.001 0.000 0.213 254 G C 0.716 175.017 174.900 -0.999 0.000 1.143 254 G CA 0.744 45.323 45.100 -0.869 0.000 0.764 254 G HN 0.721 nan 8.290 nan 0.000 0.542 255 A N 1.026 123.205 122.820 -1.068 0.000 2.445 255 A HA 0.542 4.863 4.320 0.001 0.000 0.242 255 A C 1.089 178.498 177.584 -0.292 0.000 1.075 255 A CA 0.360 51.987 52.037 -0.683 0.000 0.777 255 A CB 0.218 18.897 19.000 -0.534 0.000 1.013 255 A HN 0.836 nan 8.150 nan 0.000 0.493 256 S N 0.833 116.456 115.700 -0.128 0.000 2.600 256 S HA 0.158 4.629 4.470 0.001 0.000 0.265 256 S C 0.682 175.242 174.600 -0.066 0.000 1.325 256 S CA -0.080 58.085 58.200 -0.059 0.000 1.002 256 S CB 0.732 63.931 63.200 -0.003 0.000 0.921 256 S HN 0.685 nan 8.310 nan 0.000 0.554 257 E N 0.722 120.894 120.200 -0.046 0.000 2.268 257 E HA -0.125 4.226 4.350 0.001 0.000 0.195 257 E C 1.142 177.714 176.600 -0.047 0.000 0.995 257 E CA 0.863 57.235 56.400 -0.047 0.000 0.836 257 E CB -0.198 29.482 29.700 -0.033 0.000 0.763 257 E HN 0.686 nan 8.360 nan 0.000 0.491 258 D N 0.879 121.258 120.400 -0.035 0.000 2.097 258 D HA -0.147 4.493 4.640 0.001 0.000 0.197 258 D C 1.991 178.264 176.300 -0.045 0.000 0.984 258 D CA 0.688 54.668 54.000 -0.034 0.000 0.826 258 D CB 0.056 40.846 40.800 -0.016 0.000 0.973 258 D HN 0.167 nan 8.370 nan 0.000 0.460 259 I N 1.339 121.890 120.570 -0.032 0.000 2.226 259 I HA -0.192 3.978 4.170 0.001 0.000 0.245 259 I C 2.500 178.578 176.117 -0.066 0.000 1.100 259 I CA 0.796 62.081 61.300 -0.025 0.000 1.374 259 I CB -0.981 37.021 38.000 0.003 0.000 1.057 259 I HN 0.006 nan 8.210 nan 0.000 0.413 260 R N 1.396 121.846 120.500 -0.082 0.000 2.127 260 R HA -0.192 4.149 4.340 0.001 0.000 0.238 260 R C 1.943 178.175 176.300 -0.113 0.000 1.134 260 R CA 1.521 57.572 56.100 -0.082 0.000 0.975 260 R CB -0.022 30.235 30.300 -0.072 0.000 0.865 260 R HN 0.497 nan 8.270 nan 0.000 0.447 261 E N -0.526 119.589 120.200 -0.141 0.000 2.076 261 E HA -0.090 4.261 4.350 0.001 0.000 0.190 261 E C 2.271 178.614 176.600 -0.429 0.000 0.979 261 E CA 0.511 56.773 56.400 -0.230 0.000 0.807 261 E CB -0.010 29.602 29.700 -0.147 0.000 0.761 261 E HN 0.287 nan 8.360 nan 0.000 0.454 262 R N 0.600 120.934 120.500 -0.276 0.000 2.080 262 R HA -0.096 4.245 4.340 0.001 0.000 0.236 262 R C 2.277 178.382 176.300 -0.325 0.000 1.137 262 R CA 1.148 57.093 56.100 -0.258 0.000 0.943 262 R CB -0.300 29.944 30.300 -0.094 0.000 0.846 262 R HN 0.210 nan 8.270 nan 0.000 0.431 263 L N -0.294 120.830 121.223 -0.164 0.000 2.558 263 L HA 0.073 4.414 4.340 0.001 0.000 0.225 263 L C -0.074 176.894 176.870 0.163 0.000 1.128 263 L CA 0.107 54.969 54.840 0.037 0.000 0.868 263 L CB -0.440 41.663 42.059 0.073 0.000 1.006 263 L HN 0.404 nan 8.230 nan 0.000 0.454 264 H N -0.757 118.284 119.070 -0.047 0.000 2.770 264 H HA -0.123 4.433 4.556 0.001 0.000 0.309 264 H C 0.397 175.836 175.328 0.185 0.000 1.206 264 H CA 0.128 56.116 56.048 -0.101 0.000 1.147 264 H CB -1.942 27.429 29.762 -0.652 0.000 1.422 264 H HN 0.314 nan 8.280 nan 0.000 0.420 265 L N 0.448 121.797 121.223 0.210 0.000 2.472 265 L HA 0.220 4.561 4.340 0.001 0.000 0.260 265 L C 1.014 178.025 176.870 0.235 0.000 1.209 265 L CA 0.419 55.419 54.840 0.267 0.000 0.817 265 L CB 0.919 43.031 42.059 0.089 0.000 1.106 265 L HN 0.238 nan 8.230 nan 0.000 0.479 266 S N -1.225 114.658 115.700 0.306 0.000 2.973 266 S HA 0.356 4.827 4.470 0.001 0.000 0.317 266 S C -0.829 173.863 174.600 0.153 0.000 1.196 266 S CA -0.795 57.476 58.200 0.118 0.000 0.894 266 S CB 1.336 64.493 63.200 -0.071 0.000 1.292 266 S HN 0.675 nan 8.310 nan 0.000 0.614 267 S N 2.041 117.778 115.700 0.061 0.000 2.576 267 S HA 0.268 4.738 4.470 0.001 0.000 0.276 267 S C -1.964 172.685 174.600 0.081 0.000 1.339 267 S CA -0.807 57.441 58.200 0.079 0.000 1.039 267 S CB 0.121 63.336 63.200 0.024 0.000 0.902 267 S HN 0.539 nan 8.310 nan 0.000 0.516 268 P HA -0.133 nan 4.420 nan 0.000 0.228 268 P C 0.876 178.221 177.300 0.074 0.000 1.151 268 P CA 1.067 64.262 63.100 0.159 0.000 0.770 268 P CB -0.191 31.550 31.700 0.068 0.000 0.786 269 D N -0.703 119.692 120.400 -0.008 0.000 2.310 269 D HA -0.131 4.510 4.640 0.001 0.000 0.212 269 D C 1.009 177.247 176.300 -0.102 0.000 0.965 269 D CA 0.584 54.561 54.000 -0.039 0.000 0.879 269 D CB -0.686 40.090 40.800 -0.040 0.000 0.921 269 D HN 0.129 nan 8.370 nan 0.000 0.510 270 N N -0.396 118.169 118.700 -0.224 0.000 2.398 270 N HA 0.054 4.795 4.740 0.001 0.000 0.188 270 N C -0.460 174.702 175.510 -0.581 0.000 1.122 270 N CA 0.188 52.982 53.050 -0.427 0.000 0.866 270 N CB 0.213 38.340 38.487 -0.600 0.000 0.970 270 N HN 0.245 nan 8.380 nan 0.000 0.462 271 F N -0.192 119.713 119.950 -0.076 0.000 2.495 271 F HA 0.384 4.911 4.527 0.001 0.000 0.327 271 F C 1.646 177.371 175.800 -0.124 0.000 1.103 271 F CA -1.088 56.839 58.000 -0.122 0.000 0.949 271 F CB 2.175 41.080 39.000 -0.158 0.000 1.142 271 F HN -0.303 nan 8.300 nan 0.000 0.457 272 R N 1.777 122.284 120.500 0.012 0.000 2.075 272 R HA -0.109 4.232 4.340 0.001 0.000 0.232 272 R C 1.298 177.655 176.300 0.094 0.000 1.126 272 R CA 1.577 57.667 56.100 -0.017 0.000 0.963 272 R CB -0.231 30.003 30.300 -0.110 0.000 0.858 272 R HN 0.782 nan 8.270 nan 0.000 0.435 273 Y N -0.145 120.119 120.300 -0.061 0.000 2.616 273 Y HA -0.079 4.471 4.550 0.001 0.000 0.296 273 Y C 1.581 177.332 175.900 -0.249 0.000 1.154 273 Y CA -0.011 57.980 58.100 -0.181 0.000 1.325 273 Y CB 0.344 38.633 38.460 -0.286 0.000 1.007 273 Y HN 0.153 nan 8.280 nan 0.000 0.542 274 L N -1.059 120.156 121.223 -0.013 0.000 2.653 274 L HA 0.002 4.342 4.340 0.001 0.000 0.230 274 L C 1.631 178.528 176.870 0.044 0.000 1.055 274 L CA 0.243 55.060 54.840 -0.038 0.000 0.880 274 L CB -0.163 41.829 42.059 -0.112 0.000 1.195 274 L HN 0.150 nan 8.230 nan 0.000 0.492 275 N N 0.176 118.900 118.700 0.040 0.000 2.463 275 N HA -0.117 4.624 4.740 0.001 0.000 0.181 275 N C 1.638 177.154 175.510 0.011 0.000 1.078 275 N CA 0.577 53.642 53.050 0.025 0.000 0.902 275 N CB -0.078 38.414 38.487 0.008 0.000 0.970 275 N HN 0.043 nan 8.380 nan 0.000 0.451 276 R N -0.374 120.133 120.500 0.013 0.000 2.236 276 R HA 0.297 4.638 4.340 0.001 0.000 0.208 276 R C 1.081 177.375 176.300 -0.011 0.000 1.036 276 R CA 0.771 56.872 56.100 0.002 0.000 1.001 276 R CB -0.124 30.181 30.300 0.007 0.000 0.896 276 R HN 0.343 nan 8.270 nan 0.000 0.464 277 G N -1.553 107.243 108.800 -0.007 0.000 2.820 277 G HA2 0.237 4.198 3.960 0.001 0.000 0.291 277 G HA3 0.237 4.198 3.960 0.001 0.000 0.291 277 G C -0.932 173.955 174.900 -0.022 0.000 1.323 277 G CA -0.702 44.384 45.100 -0.023 0.000 1.055 277 G HN 0.205 nan 8.290 nan 0.000 0.520 278 C N 0.516 119.780 119.300 -0.060 0.000 2.538 278 C HA 0.347 4.807 4.460 0.001 0.000 0.408 278 C C 2.005 176.939 174.990 -0.094 0.000 1.421 278 C CA 0.848 59.806 59.018 -0.100 0.000 1.642 278 C CB -0.541 27.103 27.740 -0.160 0.000 2.553 278 C HN 0.781 nan 8.230 nan 0.000 0.604 279 T N 2.885 117.388 114.554 -0.085 0.000 3.054 279 T HA 0.215 4.565 4.350 0.001 0.000 0.255 279 T C 0.599 175.167 174.700 -0.220 0.000 1.035 279 T CA -0.158 61.906 62.100 -0.060 0.000 0.941 279 T CB -0.060 68.788 68.868 -0.033 0.000 1.026 279 T HN 0.755 nan 8.240 nan 0.000 0.533 280 R N 0.967 121.338 120.500 -0.216 0.000 2.539 280 R HA 0.450 4.790 4.340 0.001 0.000 0.275 280 R C -0.817 175.288 176.300 -0.325 0.000 1.077 280 R CA -0.483 55.542 56.100 -0.124 0.000 1.097 280 R CB 0.272 30.542 30.300 -0.050 0.000 1.018 280 R HN 0.281 nan 8.270 nan 0.000 0.483 281 Y N 1.279 121.575 120.300 -0.006 0.000 2.300 281 Y HA 0.174 4.725 4.550 0.001 0.000 0.328 281 Y C 0.287 176.151 175.900 -0.059 0.000 1.270 281 Y CA -0.465 57.588 58.100 -0.079 0.000 1.352 281 Y CB 0.451 38.839 38.460 -0.120 0.000 1.286 281 Y HN 0.363 nan 8.280 nan 0.000 0.536 282 F N 1.414 121.502 119.950 0.230 0.000 2.467 282 F HA 0.502 5.030 4.527 0.001 0.000 0.362 282 F C 0.355 176.256 175.800 0.169 0.000 1.090 282 F CA 0.082 58.172 58.000 0.149 0.000 1.202 282 F CB 0.315 39.352 39.000 0.063 0.000 1.113 282 F HN 0.504 nan 8.300 nan 0.000 0.541 283 A N 3.113 126.123 122.820 0.315 0.000 2.582 283 A HA 0.495 4.816 4.320 0.001 0.000 0.297 283 A C -1.112 176.566 177.584 0.157 0.000 1.059 283 A CA -1.226 50.944 52.037 0.222 0.000 0.705 283 A CB 0.900 20.040 19.000 0.233 0.000 1.279 283 A HN 0.759 nan 8.150 nan 0.000 0.404 284 N N 1.152 119.916 118.700 0.106 0.000 2.418 284 N HA 0.323 5.063 4.740 0.001 0.000 0.283 284 N C 0.873 176.413 175.510 0.050 0.000 1.267 284 N CA -0.275 52.815 53.050 0.067 0.000 0.975 284 N CB 0.557 39.073 38.487 0.049 0.000 1.167 284 N HN 0.617 nan 8.380 nan 0.000 0.581 285 K N -0.664 119.754 120.400 0.029 0.000 2.103 285 K HA -0.172 4.148 4.320 0.001 0.000 0.207 285 K C 0.913 177.522 176.600 0.014 0.000 1.048 285 K CA 1.362 57.661 56.287 0.019 0.000 0.930 285 K CB -0.022 32.483 32.500 0.009 0.000 0.716 285 K HN 0.521 nan 8.250 nan 0.000 0.444 286 E N -0.413 119.792 120.200 0.009 0.000 2.072 286 E HA -0.098 4.253 4.350 0.001 0.000 0.190 286 E C 1.990 178.572 176.600 -0.030 0.000 0.982 286 E CA 1.699 58.096 56.400 -0.006 0.000 0.803 286 E CB -0.222 29.478 29.700 -0.001 0.000 0.755 286 E HN 0.512 nan 8.360 nan 0.000 0.453 287 T N -1.200 113.342 114.554 -0.020 0.000 3.043 287 T HA -0.092 4.259 4.350 0.001 0.000 0.263 287 T C 1.590 176.242 174.700 -0.079 0.000 1.094 287 T CA 1.171 63.227 62.100 -0.072 0.000 1.127 287 T CB -0.105 68.762 68.868 -0.002 0.000 0.905 287 T HN 0.014 nan 8.240 nan 0.000 0.490 288 D N 1.555 121.963 120.400 0.014 0.000 2.178 288 D HA -0.109 4.531 4.640 0.001 0.000 0.201 288 D C 2.128 178.431 176.300 0.005 0.000 0.980 288 D CA 0.945 54.988 54.000 0.070 0.000 0.842 288 D CB -0.099 40.783 40.800 0.137 0.000 0.948 288 D HN 0.386 nan 8.370 nan 0.000 0.472 289 K N -0.263 120.119 120.400 -0.031 0.000 2.148 289 K HA -0.110 4.210 4.320 0.001 0.000 0.204 289 K C 2.182 178.720 176.600 -0.103 0.000 1.050 289 K CA 0.898 57.157 56.287 -0.047 0.000 0.942 289 K CB -0.085 32.392 32.500 -0.038 0.000 0.724 289 K HN 0.399 nan 8.250 nan 0.000 0.446 290 Q N 0.380 120.055 119.800 -0.208 0.000 2.435 290 Q HA 0.043 4.384 4.340 0.001 0.000 0.207 290 Q C 0.373 176.171 176.000 -0.337 0.000 0.956 290 Q CA 0.455 56.046 55.803 -0.353 0.000 0.917 290 Q CB 0.060 28.372 28.738 -0.710 0.000 0.997 290 Q HN 0.317 nan 8.270 nan 0.000 0.497 291 I N 1.482 121.908 120.570 -0.240 0.000 2.365 291 I HA 0.111 4.281 4.170 0.001 0.000 0.291 291 I C -0.013 176.054 176.117 -0.084 0.000 1.004 291 I CA -0.515 60.697 61.300 -0.147 0.000 1.311 291 I CB 0.962 38.843 38.000 -0.199 0.000 1.401 291 I HN -0.020 nan 8.210 nan 0.000 0.491 292 L N 5.174 126.359 121.223 -0.063 0.000 2.467 292 L HA 0.013 4.354 4.340 0.001 0.000 0.270 292 L C 1.414 178.274 176.870 -0.018 0.000 1.205 292 L CA 0.186 55.005 54.840 -0.034 0.000 0.828 292 L CB 0.372 42.413 42.059 -0.030 0.000 1.101 292 L HN 0.614 nan 8.230 nan 0.000 0.479 293 Q N 1.395 121.196 119.800 0.003 0.000 2.297 293 Q HA -0.150 4.190 4.340 0.001 0.000 0.204 293 Q C 1.489 177.504 176.000 0.024 0.000 0.962 293 Q CA 1.226 57.043 55.803 0.024 0.000 0.879 293 Q CB -0.022 28.732 28.738 0.027 0.000 0.947 293 Q HN 0.684 nan 8.270 nan 0.000 0.462 294 N N -0.605 118.102 118.700 0.011 0.000 2.515 294 N HA -0.086 4.655 4.740 0.001 0.000 0.191 294 N C 0.370 175.893 175.510 0.021 0.000 1.182 294 N CA 0.291 53.348 53.050 0.012 0.000 0.879 294 N CB 0.213 38.702 38.487 0.003 0.000 0.984 294 N HN 0.157 nan 8.380 nan 0.000 0.453 295 R N 0.262 120.780 120.500 0.030 0.000 2.344 295 R HA 0.212 4.552 4.340 0.001 0.000 0.209 295 R C 0.059 176.449 176.300 0.150 0.000 0.886 295 R CA -0.030 56.117 56.100 0.080 0.000 1.040 295 R CB 0.293 30.608 30.300 0.024 0.000 1.114 295 R HN 0.210 nan 8.270 nan 0.000 0.547 296 K N 2.525 122.974 120.400 0.082 0.000 2.339 296 K HA 0.128 4.449 4.320 0.001 0.000 0.286 296 K C 0.354 176.987 176.600 0.056 0.000 1.050 296 K CA -0.073 56.240 56.287 0.045 0.000 0.956 296 K CB 1.050 33.609 32.500 0.099 0.000 0.990 296 K HN 0.052 nan 8.250 nan 0.000 0.475 297 S N 2.687 118.398 115.700 0.020 0.000 2.593 297 S HA 0.122 4.593 4.470 0.001 0.000 0.269 297 S C -1.763 172.875 174.600 0.063 0.000 1.334 297 S CA -1.214 56.999 58.200 0.021 0.000 1.015 297 S CB 0.836 64.024 63.200 -0.020 0.000 0.912 297 S HN 0.337 nan 8.310 nan 0.000 0.541 298 P HA -0.134 nan 4.420 nan 0.000 0.216 298 P C 1.285 178.602 177.300 0.027 0.000 1.154 298 P CA 1.363 64.479 63.100 0.025 0.000 0.865 298 P CB 0.055 31.757 31.700 0.003 0.000 0.789 299 E N -1.979 118.233 120.200 0.020 0.000 2.285 299 E HA -0.155 4.196 4.350 0.001 0.000 0.194 299 E C 1.776 178.383 176.600 0.013 0.000 0.997 299 E CA 0.602 57.003 56.400 0.001 0.000 0.845 299 E CB -0.925 28.765 29.700 -0.018 0.000 0.782 299 E HN 0.271 nan 8.360 nan 0.000 0.491 300 Y N -0.101 120.158 120.300 -0.068 0.000 2.395 300 Y HA 0.008 4.559 4.550 0.001 0.000 0.293 300 Y C 1.486 177.371 175.900 -0.025 0.000 1.123 300 Y CA 1.081 59.146 58.100 -0.058 0.000 1.227 300 Y CB 0.180 38.604 38.460 -0.059 0.000 1.012 300 Y HN 0.029 nan 8.280 nan 0.000 0.552 301 L N -0.182 121.100 121.223 0.098 0.000 2.131 301 L HA -0.128 4.213 4.340 0.001 0.000 0.206 301 L C 2.594 179.438 176.870 -0.044 0.000 1.087 301 L CA 1.081 55.944 54.840 0.038 0.000 0.767 301 L CB -0.444 41.656 42.059 0.069 0.000 0.917 301 L HN 0.053 nan 8.230 nan 0.000 0.441 302 K N 0.640 121.014 120.400 -0.044 0.000 1.991 302 K HA -0.056 4.265 4.320 0.001 0.000 0.208 302 K C 2.036 178.582 176.600 -0.090 0.000 1.038 302 K CA 1.436 57.691 56.287 -0.054 0.000 0.943 302 K CB -0.082 32.395 32.500 -0.038 0.000 0.736 302 K HN 0.196 nan 8.250 nan 0.000 0.440 303 A N 0.564 123.320 122.820 -0.107 0.000 2.067 303 A HA 0.186 4.507 4.320 0.001 0.000 0.217 303 A C 0.963 178.435 177.584 -0.186 0.000 1.156 303 A CA 1.546 53.509 52.037 -0.123 0.000 0.683 303 A CB -0.479 18.457 19.000 -0.106 0.000 0.808 303 A HN 0.634 nan 8.150 nan 0.000 0.455 304 G N -1.346 107.272 108.800 -0.302 0.000 2.587 304 G HA2 -0.022 3.938 3.960 0.001 0.000 0.212 304 G HA3 -0.022 3.938 3.960 0.001 0.000 0.212 304 G C 0.100 174.632 174.900 -0.613 0.000 1.327 304 G CA -0.118 44.709 45.100 -0.454 0.000 0.898 304 G HN 0.880 nan 8.290 nan 0.000 0.551 305 S N -1.022 114.394 115.700 -0.474 0.000 2.632 305 S HA 0.653 5.123 4.470 0.001 0.000 0.267 305 S C 0.761 175.292 174.600 -0.114 0.000 1.276 305 S CA -0.503 57.544 58.200 -0.254 0.000 0.998 305 S CB 0.348 63.530 63.200 -0.030 0.000 0.953 305 S HN 0.662 nan 8.310 nan 0.000 0.547 306 L N 2.853 124.027 121.223 -0.083 0.000 2.349 306 L HA 0.415 4.756 4.340 0.001 0.000 0.275 306 L C -0.188 176.759 176.870 0.129 0.000 1.115 306 L CA -0.450 54.315 54.840 -0.125 0.000 0.820 306 L CB 0.687 42.362 42.059 -0.640 0.000 1.135 306 L HN 0.490 nan 8.230 nan 0.000 0.445 307 K N 1.928 122.426 120.400 0.164 0.000 2.138 307 K HA 0.538 4.859 4.320 0.001 0.000 0.263 307 K C -1.276 175.464 176.600 0.232 0.000 0.965 307 K CA -0.412 55.981 56.287 0.177 0.000 0.868 307 K CB 1.521 34.067 32.500 0.077 0.000 1.083 307 K HN 0.436 nan 8.250 nan 0.000 0.443 308 D N 1.035 121.525 120.400 0.151 0.000 2.803 308 D HA 0.273 4.913 4.640 0.001 0.000 0.218 308 D C -2.071 174.225 176.300 -0.007 0.000 1.245 308 D CA -1.236 52.781 54.000 0.028 0.000 0.821 308 D CB 1.479 42.192 40.800 -0.146 0.000 1.626 308 D HN 0.199 nan 8.370 nan 0.000 0.487 309 P HA 0.105 nan 4.420 nan 0.000 0.225 309 P C 0.562 177.845 177.300 -0.029 0.000 1.148 309 P CA 0.786 63.871 63.100 -0.026 0.000 0.779 309 P CB 0.433 32.109 31.700 -0.039 0.000 0.780 310 L N -3.504 117.685 121.223 -0.056 0.000 2.966 310 L HA 0.209 4.549 4.340 0.001 0.000 0.262 310 L C 0.642 177.455 176.870 -0.094 0.000 1.068 310 L CA -0.144 54.663 54.840 -0.056 0.000 1.004 310 L CB 0.209 42.242 42.059 -0.043 0.000 1.629 310 L HN -0.177 nan 8.230 nan 0.000 0.542 311 L N 1.835 122.942 121.223 -0.194 0.000 2.410 311 L HA 0.172 4.513 4.340 0.001 0.000 0.273 311 L C -0.697 176.091 176.870 -0.137 0.000 1.152 311 L CA 0.601 55.258 54.840 -0.304 0.000 0.855 311 L CB 0.544 42.152 42.059 -0.752 0.000 1.129 311 L HN 0.084 nan 8.230 nan 0.000 0.463 312 D N 2.247 122.625 120.400 -0.037 0.000 2.591 312 D HA 0.043 4.683 4.640 0.001 0.000 0.222 312 D C -0.188 176.179 176.300 0.112 0.000 1.360 312 D CA -0.425 53.638 54.000 0.104 0.000 0.967 312 D CB 1.468 42.321 40.800 0.088 0.000 1.456 312 D HN 0.466 nan 8.370 nan 0.000 0.588 313 D N 0.976 121.486 120.400 0.182 0.000 2.144 313 D HA -0.174 4.466 4.640 0.001 0.000 0.199 313 D C 1.487 177.838 176.300 0.086 0.000 0.984 313 D CA 0.876 54.963 54.000 0.146 0.000 0.834 313 D CB 0.112 41.044 40.800 0.221 0.000 0.955 313 D HN 0.595 nan 8.370 nan 0.000 0.465 314 H N 0.509 119.564 119.070 -0.024 0.000 2.307 314 H HA -0.031 4.525 4.556 0.001 0.000 0.303 314 H C 2.087 177.450 175.328 0.058 0.000 1.073 314 H CA 1.784 57.814 56.048 -0.030 0.000 1.338 314 H CB -0.190 29.529 29.762 -0.071 0.000 1.389 314 H HN 0.152 nan 8.280 nan 0.000 0.503 315 G N 0.189 109.110 108.800 0.202 0.000 2.432 315 G HA2 -0.220 3.741 3.960 0.001 0.000 0.219 315 G HA3 -0.220 3.741 3.960 0.001 0.000 0.219 315 G C 1.210 176.151 174.900 0.067 0.000 1.135 315 G CA 0.895 46.077 45.100 0.136 0.000 0.767 315 G HN 0.401 nan 8.290 nan 0.000 0.550 316 D N -0.720 119.716 120.400 0.060 0.000 2.289 316 D HA 0.017 4.658 4.640 0.001 0.000 0.207 316 D C 1.729 178.056 176.300 0.045 0.000 0.966 316 D CA -0.080 53.939 54.000 0.032 0.000 0.868 316 D CB -0.132 40.670 40.800 0.004 0.000 0.943 316 D HN 0.318 nan 8.370 nan 0.000 0.514 317 F N 1.076 120.974 119.950 -0.087 0.000 2.163 317 F HA -0.010 4.518 4.527 0.001 0.000 0.297 317 F C 1.921 177.674 175.800 -0.079 0.000 1.094 317 F CA 0.995 58.929 58.000 -0.109 0.000 1.290 317 F CB -0.056 38.819 39.000 -0.207 0.000 1.017 317 F HN -0.162 nan 8.300 nan 0.000 0.483 318 I N -0.012 120.536 120.570 -0.036 0.000 2.315 318 I HA -0.214 3.956 4.170 0.001 0.000 0.248 318 I C 2.359 178.419 176.117 -0.095 0.000 1.117 318 I CA 1.090 62.341 61.300 -0.082 0.000 1.404 318 I CB -0.441 37.560 38.000 0.003 0.000 1.071 318 I HN 0.011 nan 8.210 nan 0.000 0.419 319 R N 0.068 120.535 120.500 -0.056 0.000 2.189 319 R HA -0.053 4.288 4.340 0.001 0.000 0.218 319 R C 2.285 178.549 176.300 -0.060 0.000 1.074 319 R CA 0.955 57.031 56.100 -0.041 0.000 0.991 319 R CB -0.104 30.189 30.300 -0.012 0.000 0.883 319 R HN 0.386 nan 8.270 nan 0.000 0.457 320 M N -0.437 119.103 119.600 -0.100 0.000 2.288 320 M HA -0.120 4.361 4.480 0.001 0.000 0.266 320 M C 1.774 177.991 176.300 -0.138 0.000 1.072 320 M CA 1.357 56.603 55.300 -0.091 0.000 1.132 320 M CB 0.081 32.628 32.600 -0.088 0.000 1.386 320 M HN 0.215 nan 8.290 nan 0.000 0.432 321 C N 0.420 119.570 119.300 -0.250 0.000 2.453 321 C HA -0.094 4.367 4.460 0.001 0.000 0.277 321 C C 2.604 177.519 174.990 -0.126 0.000 1.262 321 C CA 1.537 60.418 59.018 -0.230 0.000 1.718 321 C CB -1.076 26.474 27.740 -0.317 0.000 2.031 321 C HN 0.580 nan 8.230 nan 0.000 0.480 322 T N 1.036 115.531 114.554 -0.100 0.000 2.803 322 T HA -0.125 4.226 4.350 0.001 0.000 0.269 322 T C 1.963 176.634 174.700 -0.049 0.000 1.052 322 T CA 1.496 63.560 62.100 -0.059 0.000 1.136 322 T CB -0.314 68.529 68.868 -0.041 0.000 0.864 322 T HN 0.649 nan 8.240 nan 0.000 0.467 323 A N 1.384 124.174 122.820 -0.050 0.000 1.835 323 A HA -0.078 4.242 4.320 0.001 0.000 0.215 323 A C 2.272 179.828 177.584 -0.046 0.000 1.199 323 A CA 1.742 53.758 52.037 -0.034 0.000 0.615 323 A CB -0.847 18.142 19.000 -0.018 0.000 0.838 323 A HN 0.401 nan 8.150 nan 0.000 0.444 324 M N -0.679 118.884 119.600 -0.061 0.000 2.116 324 M HA -0.282 4.198 4.480 0.001 0.000 0.255 324 M C 2.150 178.405 176.300 -0.074 0.000 1.075 324 M CA 2.373 57.626 55.300 -0.078 0.000 1.087 324 M CB -0.330 32.207 32.600 -0.105 0.000 1.340 324 M HN 0.441 nan 8.290 nan 0.000 0.402 325 K N -0.230 120.130 120.400 -0.066 0.000 2.002 325 K HA -0.167 4.154 4.320 0.001 0.000 0.209 325 K C 1.959 178.532 176.600 -0.045 0.000 1.048 325 K CA 1.528 57.782 56.287 -0.055 0.000 0.930 325 K CB -0.100 32.372 32.500 -0.047 0.000 0.714 325 K HN 0.159 nan 8.250 nan 0.000 0.438 326 K N 0.656 121.033 120.400 -0.037 0.000 2.280 326 K HA -0.099 4.221 4.320 0.001 0.000 0.202 326 K C 2.015 178.599 176.600 -0.027 0.000 1.047 326 K CA 1.021 57.292 56.287 -0.026 0.000 0.942 326 K CB -0.016 32.474 32.500 -0.017 0.000 0.739 326 K HN 0.312 nan 8.250 nan 0.000 0.457 327 I N -3.128 117.418 120.570 -0.040 0.000 2.339 327 I HA 0.031 4.201 4.170 0.001 0.000 0.245 327 I C 1.253 177.331 176.117 -0.065 0.000 1.096 327 I CA 1.697 62.966 61.300 -0.051 0.000 1.408 327 I CB 0.460 38.415 38.000 -0.074 0.000 1.092 327 I HN 0.175 nan 8.210 nan 0.000 0.423 328 G N 0.766 109.523 108.800 -0.070 0.000 3.468 328 G HA2 -0.017 3.944 3.960 0.001 0.000 0.219 328 G HA3 -0.017 3.944 3.960 0.001 0.000 0.219 328 G C -0.186 174.668 174.900 -0.078 0.000 0.968 328 G CA -0.258 44.799 45.100 -0.072 0.000 0.851 328 G HN 0.189 nan 8.290 nan 0.000 0.524 329 L N 3.472 124.641 121.223 -0.090 0.000 2.559 329 L HA 0.314 4.655 4.340 0.001 0.000 0.282 329 L C 0.931 177.748 176.870 -0.090 0.000 1.232 329 L CA 0.417 55.200 54.840 -0.095 0.000 0.885 329 L CB 0.397 42.388 42.059 -0.113 0.000 1.131 329 L HN 0.525 nan 8.230 nan 0.000 0.498 330 D N 1.494 121.841 120.400 -0.088 0.000 2.529 330 D HA 0.038 4.678 4.640 0.001 0.000 0.273 330 D C 0.314 176.551 176.300 -0.106 0.000 1.197 330 D CA -0.509 53.441 54.000 -0.083 0.000 1.070 330 D CB 0.714 41.475 40.800 -0.065 0.000 1.134 330 D HN 0.514 nan 8.370 nan 0.000 0.590 331 D N -0.756 119.591 120.400 -0.089 0.000 2.219 331 D HA -0.140 4.501 4.640 0.001 0.000 0.205 331 D C 1.411 177.639 176.300 -0.119 0.000 0.970 331 D CA 0.700 54.643 54.000 -0.094 0.000 0.851 331 D CB 0.359 41.124 40.800 -0.059 0.000 0.943 331 D HN 0.524 nan 8.370 nan 0.000 0.488 332 E N 0.546 120.678 120.200 -0.113 0.000 2.072 332 E HA -0.119 4.232 4.350 0.001 0.000 0.190 332 E C 1.756 178.231 176.600 -0.209 0.000 0.982 332 E CA 0.513 56.836 56.400 -0.129 0.000 0.803 332 E CB 0.202 29.849 29.700 -0.088 0.000 0.755 332 E HN 0.188 nan 8.360 nan 0.000 0.453 333 E N 0.212 120.289 120.200 -0.205 0.000 2.435 333 E HA -0.098 4.252 4.350 0.001 0.000 0.195 333 E C 1.811 178.184 176.600 -0.378 0.000 1.029 333 E CA 0.203 56.439 56.400 -0.273 0.000 0.865 333 E CB 0.291 29.925 29.700 -0.110 0.000 0.833 333 E HN 0.029 nan 8.360 nan 0.000 0.510 334 K N 0.618 120.794 120.400 -0.374 0.000 2.098 334 K HA -0.081 4.239 4.320 0.001 0.000 0.203 334 K C 2.158 178.279 176.600 -0.799 0.000 1.051 334 K CA 0.283 56.229 56.287 -0.568 0.000 0.957 334 K CB -0.010 32.238 32.500 -0.420 0.000 0.738 334 K HN 0.147 nan 8.250 nan 0.000 0.447 335 L N 1.876 122.830 121.223 -0.449 0.000 2.217 335 L HA -0.105 4.235 4.340 0.001 0.000 0.211 335 L C 1.321 178.010 176.870 -0.301 0.000 1.107 335 L CA 1.771 56.452 54.840 -0.266 0.000 0.783 335 L CB -0.409 41.581 42.059 -0.115 0.000 0.919 335 L HN 0.067 nan 8.230 nan 0.000 0.442 336 D N -0.136 119.965 120.400 -0.499 0.000 2.092 336 D HA -0.210 4.430 4.640 0.001 0.000 0.193 336 D C 2.271 178.156 176.300 -0.692 0.000 0.994 336 D CA 1.915 55.440 54.000 -0.793 0.000 0.828 336 D CB -0.352 39.530 40.800 -1.531 0.000 0.963 336 D HN 0.356 nan 8.370 nan 0.000 0.450 337 L N -0.181 120.681 121.223 -0.602 0.000 2.042 337 L HA -0.183 4.158 4.340 0.001 0.000 0.210 337 L C 2.304 179.243 176.870 0.115 0.000 1.076 337 L CA 0.819 55.540 54.840 -0.198 0.000 0.749 337 L CB -0.412 41.552 42.059 -0.159 0.000 0.893 337 L HN 0.002 nan 8.230 nan 0.000 0.432 338 F N -0.252 119.693 119.950 -0.008 0.000 2.325 338 F HA -0.056 4.472 4.527 0.001 0.000 0.299 338 F C 2.634 178.450 175.800 0.025 0.000 1.090 338 F CA 0.699 58.721 58.000 0.037 0.000 1.392 338 F CB -0.846 38.182 39.000 0.046 0.000 1.053 338 F HN -0.030 nan 8.300 nan 0.000 0.521 339 R N -0.174 120.419 120.500 0.156 0.000 2.090 339 R HA -0.053 4.287 4.340 0.001 0.000 0.228 339 R C 2.122 178.515 176.300 0.155 0.000 1.110 339 R CA 1.033 57.206 56.100 0.123 0.000 0.973 339 R CB -0.274 30.053 30.300 0.045 0.000 0.869 339 R HN 0.126 nan 8.270 nan 0.000 0.440 340 V N -0.004 120.004 119.914 0.157 0.000 2.488 340 V HA -0.147 3.973 4.120 0.001 0.000 0.246 340 V C 2.209 178.446 176.094 0.238 0.000 1.046 340 V CA 1.129 63.551 62.300 0.204 0.000 1.053 340 V CB -0.040 31.913 31.823 0.216 0.000 0.679 340 V HN 0.100 nan 8.190 nan 0.000 0.458 341 V N 0.600 120.653 119.914 0.232 0.000 2.343 341 V HA -0.233 3.888 4.120 0.001 0.000 0.247 341 V C 2.738 178.943 176.094 0.184 0.000 1.051 341 V CA 2.023 64.444 62.300 0.201 0.000 1.036 341 V CB -1.021 30.841 31.823 0.066 0.000 0.654 341 V HN 0.549 nan 8.190 nan 0.000 0.451 342 A N 0.483 123.380 122.820 0.128 0.000 1.933 342 A HA -0.082 4.238 4.320 0.001 0.000 0.218 342 A C 2.382 180.043 177.584 0.129 0.000 1.175 342 A CA 1.849 53.922 52.037 0.059 0.000 0.628 342 A CB -1.107 17.968 19.000 0.126 0.000 0.814 342 A HN 0.538 nan 8.150 nan 0.000 0.444 343 G N -0.978 107.954 108.800 0.220 0.000 2.443 343 G HA2 0.004 3.965 3.960 0.001 0.000 0.219 343 G HA3 0.004 3.965 3.960 0.001 0.000 0.219 343 G C 1.388 176.437 174.900 0.248 0.000 1.131 343 G CA 1.095 46.349 45.100 0.258 0.000 0.775 343 G HN 0.311 nan 8.290 nan 0.000 0.547 344 V N 0.552 120.626 119.914 0.268 0.000 2.488 344 V HA 0.010 4.130 4.120 0.001 0.000 0.246 344 V C 2.816 179.070 176.094 0.268 0.000 1.046 344 V CA 0.916 63.421 62.300 0.342 0.000 1.053 344 V CB -0.195 31.907 31.823 0.465 0.000 0.679 344 V HN 0.327 nan 8.190 nan 0.000 0.458 345 L N -0.860 120.411 121.223 0.080 0.000 2.056 345 L HA -0.160 4.181 4.340 0.001 0.000 0.207 345 L C 2.691 179.437 176.870 -0.207 0.000 1.078 345 L CA 1.448 56.137 54.840 -0.252 0.000 0.749 345 L CB -0.736 40.844 42.059 -0.799 0.000 0.901 345 L HN 0.421 nan 8.230 nan 0.000 0.433 346 H N -0.832 118.281 119.070 0.073 0.000 2.395 346 H HA -0.125 4.431 4.556 0.001 0.000 0.299 346 H C 2.091 177.437 175.328 0.031 0.000 1.070 346 H CA 1.158 57.295 56.048 0.147 0.000 1.356 346 H CB -0.167 29.724 29.762 0.215 0.000 1.401 346 H HN 0.155 nan 8.280 nan 0.000 0.524 347 L N 1.068 122.375 121.223 0.139 0.000 2.051 347 L HA -0.104 4.236 4.340 0.001 0.000 0.214 347 L C 2.478 179.298 176.870 -0.084 0.000 1.076 347 L CA 2.104 56.994 54.840 0.082 0.000 0.758 347 L CB -1.136 41.030 42.059 0.178 0.000 0.890 347 L HN 0.279 nan 8.230 nan 0.000 0.433 348 G N -0.982 107.558 108.800 -0.434 0.000 2.432 348 G HA2 -0.288 3.673 3.960 0.001 0.000 0.219 348 G HA3 -0.288 3.673 3.960 0.001 0.000 0.219 348 G C 1.381 176.045 174.900 -0.395 0.000 1.135 348 G CA 0.753 45.300 45.100 -0.922 0.000 0.767 348 G HN 0.501 nan 8.290 nan 0.000 0.550 349 N N 0.361 118.939 118.700 -0.203 0.000 2.494 349 N HA 0.038 4.779 4.740 0.001 0.000 0.182 349 N C 0.712 176.140 175.510 -0.136 0.000 1.076 349 N CA 0.080 53.066 53.050 -0.107 0.000 0.908 349 N CB 0.192 38.684 38.487 0.009 0.000 0.967 349 N HN 0.307 nan 8.380 nan 0.000 0.449 350 I N 2.109 122.584 120.570 -0.159 0.000 2.587 350 I HA -0.055 4.115 4.170 0.001 0.000 0.284 350 I C 0.157 175.994 176.117 -0.467 0.000 1.134 350 I CA 0.453 61.583 61.300 -0.283 0.000 1.410 350 I CB 0.333 38.199 38.000 -0.223 0.000 1.392 350 I HN -0.149 nan 8.210 nan 0.000 0.545 351 D N 6.144 126.190 120.400 -0.590 0.000 2.467 351 D HA 0.640 5.280 4.640 0.001 0.000 0.245 351 D C -0.670 175.087 176.300 -0.905 0.000 1.038 351 D CA -0.266 53.401 54.000 -0.556 0.000 1.038 351 D CB 1.875 42.539 40.800 -0.226 0.000 1.278 351 D HN 0.125 nan 8.370 nan 0.000 0.564 352 F N -0.557 119.391 119.950 -0.003 0.000 2.643 352 F HA 0.388 4.915 4.527 0.001 0.000 0.314 352 F C -0.215 175.582 175.800 -0.004 0.000 1.096 352 F CA -0.970 57.029 58.000 -0.002 0.000 0.953 352 F CB 2.028 41.031 39.000 0.005 0.000 1.345 352 F HN 0.207 nan 8.300 nan 0.000 0.468 353 E N -0.762 119.556 120.200 0.196 0.000 2.366 353 E HA 0.523 4.874 4.350 0.001 0.000 0.278 353 E C -1.830 174.819 176.600 0.081 0.000 0.923 353 E CA -1.270 55.189 56.400 0.099 0.000 0.761 353 E CB 1.977 31.708 29.700 0.052 0.000 1.231 353 E HN 0.355 nan 8.360 nan 0.000 0.443 354 E N 0.790 121.020 120.200 0.050 0.000 2.437 354 E HA 0.286 4.637 4.350 0.001 0.000 0.263 354 E C -0.181 176.435 176.600 0.026 0.000 1.030 354 E CA 0.501 56.920 56.400 0.031 0.000 0.934 354 E CB 0.710 30.421 29.700 0.019 0.000 0.943 354 E HN 0.587 nan 8.360 nan 0.000 0.444 355 A N 1.734 124.565 122.820 0.018 0.000 2.388 355 A HA 0.612 4.933 4.320 0.001 0.000 0.280 355 A C 0.860 178.448 177.584 0.007 0.000 1.377 355 A CA -0.061 51.984 52.037 0.013 0.000 0.863 355 A CB 0.235 19.240 19.000 0.009 0.000 1.416 355 A HN 0.620 nan 8.150 nan 0.000 0.517 356 G N -0.245 108.558 108.800 0.005 0.000 3.939 356 G HA2 0.436 4.397 3.960 0.001 0.000 0.268 356 G HA3 0.436 4.397 3.960 0.001 0.000 0.268 356 G C 0.491 175.391 174.900 -0.001 0.000 1.172 356 G CA 0.813 45.914 45.100 0.002 0.000 1.614 356 G HN 2.087 nan 8.290 nan 0.000 0.639 357 S N -0.549 115.150 115.700 -0.002 0.000 3.486 357 S HA -0.268 4.203 4.470 0.001 0.000 0.371 357 S C 0.667 175.264 174.600 -0.005 0.000 1.001 357 S CA 1.006 59.203 58.200 -0.004 0.000 1.164 357 S CB -2.651 60.547 63.200 -0.004 0.000 0.911 357 S HN 1.391 nan 8.310 nan 0.000 0.472 358 T N -0.842 113.708 114.554 -0.006 0.000 3.477 358 T HA 0.585 4.936 4.350 0.001 0.000 0.347 358 T C 0.618 175.311 174.700 -0.011 0.000 1.567 358 T CA -0.054 62.041 62.100 -0.007 0.000 1.169 358 T CB -0.350 68.514 68.868 -0.005 0.000 1.196 358 T HN 1.904 nan 8.240 nan 0.000 0.768 359 S N 0.216 115.908 115.700 -0.012 0.000 3.628 359 S HA -0.164 4.307 4.470 0.001 0.000 0.373 359 S C 1.087 175.676 174.600 -0.018 0.000 0.968 359 S CA -0.103 58.087 58.200 -0.016 0.000 1.215 359 S CB -2.547 60.641 63.200 -0.020 0.000 0.912 359 S HN 1.851 nan 8.310 nan 0.000 0.495 360 G N 0.855 109.646 108.800 -0.014 0.000 2.759 360 G HA2 0.262 4.223 3.960 0.001 0.000 0.325 360 G HA3 0.262 4.223 3.960 0.001 0.000 0.325 360 G C 0.933 175.822 174.900 -0.018 0.000 0.312 360 G CA 0.285 45.378 45.100 -0.012 0.000 1.249 360 G HN 1.249 nan 8.290 nan 0.000 0.331 361 G N 0.556 109.344 108.800 -0.020 0.000 3.152 361 G HA2 0.489 4.449 3.960 0.001 0.000 0.157 361 G HA3 0.489 4.449 3.960 0.001 0.000 0.157 361 G C 0.534 175.424 174.900 -0.016 0.000 1.786 361 G CA 0.785 45.867 45.100 -0.030 0.000 1.055 361 G HN 1.644 nan 8.290 nan 0.000 0.528 362 C N -2.586 116.709 119.300 -0.009 0.000 3.320 362 C HA 0.817 5.277 4.460 0.001 0.000 0.335 362 C C -1.234 173.800 174.990 0.074 0.000 1.430 362 C CA -1.330 57.707 59.018 0.032 0.000 1.271 362 C CB 1.235 28.984 27.740 0.016 0.000 1.609 362 C HN 0.651 nan 8.230 nan 0.000 0.457 363 N N 0.130 118.912 118.700 0.137 0.000 2.416 363 N HA 0.586 5.327 4.740 0.001 0.000 0.276 363 N C -1.532 174.096 175.510 0.197 0.000 1.261 363 N CA -0.367 52.770 53.050 0.145 0.000 0.790 363 N CB 1.835 40.364 38.487 0.071 0.000 1.554 363 N HN 0.760 nan 8.380 nan 0.000 0.481 364 L N 1.534 122.842 121.223 0.142 0.000 2.485 364 L HA 0.094 4.435 4.340 0.001 0.000 0.275 364 L C 1.021 177.862 176.870 -0.048 0.000 1.207 364 L CA 0.697 55.532 54.840 -0.009 0.000 0.855 364 L CB 0.209 42.243 42.059 -0.043 0.000 1.114 364 L HN 0.276 nan 8.230 nan 0.000 0.485 365 K N 2.152 122.483 120.400 -0.116 0.000 2.138 365 K HA 0.047 4.367 4.320 0.001 0.000 0.251 365 K C 1.002 177.549 176.600 -0.090 0.000 1.015 365 K CA -0.362 55.873 56.287 -0.087 0.000 0.917 365 K CB 0.419 32.857 32.500 -0.104 0.000 1.021 365 K HN 0.600 nan 8.250 nan 0.000 0.485 366 N N 1.645 120.304 118.700 -0.069 0.000 2.250 366 N HA -0.145 4.596 4.740 0.001 0.000 0.181 366 N C 1.309 176.769 175.510 -0.084 0.000 1.017 366 N CA 1.207 54.216 53.050 -0.068 0.000 0.866 366 N CB 0.230 38.687 38.487 -0.050 0.000 0.985 366 N HN 0.466 nan 8.380 nan 0.000 0.429 367 K N -0.054 120.297 120.400 -0.082 0.000 2.209 367 K HA 0.050 4.371 4.320 0.001 0.000 0.204 367 K C 1.242 177.773 176.600 -0.114 0.000 1.048 367 K CA 1.331 57.566 56.287 -0.087 0.000 0.940 367 K CB -0.097 32.358 32.500 -0.075 0.000 0.729 367 K HN -0.114 nan 8.250 nan 0.000 0.451 368 S N 0.677 116.296 115.700 -0.135 0.000 2.685 368 S HA 0.077 4.547 4.470 0.001 0.000 0.240 368 S C 0.640 175.134 174.600 -0.178 0.000 0.967 368 S CA -0.046 58.054 58.200 -0.167 0.000 1.009 368 S CB 0.183 63.253 63.200 -0.217 0.000 0.776 368 S HN 0.360 nan 8.310 nan 0.000 0.467 369 T N 2.120 116.572 114.554 -0.170 0.000 2.978 369 T HA -0.019 4.331 4.350 0.001 0.000 0.262 369 T C 1.920 176.454 174.700 -0.277 0.000 1.063 369 T CA 0.799 62.790 62.100 -0.182 0.000 1.140 369 T CB -0.024 68.759 68.868 -0.142 0.000 0.886 369 T HN 0.420 nan 8.240 nan 0.000 0.470 370 Q N 0.719 120.318 119.800 -0.336 0.000 2.119 370 Q HA 0.008 4.349 4.340 0.001 0.000 0.201 370 Q C 2.776 178.331 176.000 -0.742 0.000 0.972 370 Q CA 1.244 56.665 55.803 -0.637 0.000 0.847 370 Q CB -0.307 28.139 28.738 -0.488 0.000 0.903 370 Q HN 0.537 nan 8.270 nan 0.000 0.433 371 A N 1.365 123.975 122.820 -0.351 0.000 1.859 371 A HA -0.224 4.096 4.320 0.001 0.000 0.217 371 A C 2.079 179.555 177.584 -0.181 0.000 1.198 371 A CA 1.548 53.478 52.037 -0.177 0.000 0.629 371 A CB -0.836 18.107 19.000 -0.096 0.000 0.830 371 A HN 0.356 nan 8.150 nan 0.000 0.446 372 L N -0.185 120.926 121.223 -0.186 0.000 2.131 372 L HA -0.139 4.201 4.340 0.001 0.000 0.210 372 L C 2.196 178.979 176.870 -0.145 0.000 1.092 372 L CA 2.702 57.468 54.840 -0.123 0.000 0.759 372 L CB -0.619 41.376 42.059 -0.107 0.000 0.903 372 L HN 0.599 nan 8.230 nan 0.000 0.435 373 E N -1.774 118.254 120.200 -0.287 0.000 2.107 373 E HA -0.206 4.144 4.350 0.001 0.000 0.191 373 E C 2.036 178.535 176.600 -0.170 0.000 0.982 373 E CA 1.447 57.685 56.400 -0.270 0.000 0.809 373 E CB -0.279 29.172 29.700 -0.415 0.000 0.756 373 E HN 0.699 nan 8.360 nan 0.000 0.459 374 Y N -1.068 119.082 120.300 -0.250 0.000 2.231 374 Y HA -0.142 4.409 4.550 0.001 0.000 0.294 374 Y C 2.768 178.621 175.900 -0.079 0.000 1.120 374 Y CA 0.199 58.108 58.100 -0.318 0.000 1.141 374 Y CB -0.385 37.587 38.460 -0.814 0.000 1.022 374 Y HN 0.269 nan 8.280 nan 0.000 0.523 375 C N 0.786 120.164 119.300 0.131 0.000 2.403 375 C HA -0.227 4.234 4.460 0.001 0.000 0.277 375 C C 2.892 177.967 174.990 0.141 0.000 1.248 375 C CA 1.503 60.636 59.018 0.191 0.000 1.762 375 C CB -1.250 26.585 27.740 0.158 0.000 2.014 375 C HN 0.564 nan 8.230 nan 0.000 0.486 376 A N 0.825 123.696 122.820 0.085 0.000 1.898 376 A HA -0.076 4.245 4.320 0.001 0.000 0.214 376 A C 1.976 179.609 177.584 0.083 0.000 1.183 376 A CA 1.558 53.637 52.037 0.071 0.000 0.622 376 A CB -0.735 18.285 19.000 0.034 0.000 0.824 376 A HN 0.862 nan 8.150 nan 0.000 0.444 377 E N 0.286 120.543 120.200 0.094 0.000 2.106 377 E HA -0.112 4.239 4.350 0.001 0.000 0.192 377 E C 1.686 178.358 176.600 0.119 0.000 0.984 377 E CA 1.315 57.777 56.400 0.103 0.000 0.806 377 E CB -0.520 29.253 29.700 0.122 0.000 0.750 377 E HN 0.535 nan 8.360 nan 0.000 0.458 378 L N 0.274 121.588 121.223 0.151 0.000 2.179 378 L HA 0.021 4.361 4.340 0.001 0.000 0.208 378 L C 2.094 179.053 176.870 0.148 0.000 1.096 378 L CA 0.659 55.595 54.840 0.161 0.000 0.779 378 L CB -0.123 42.066 42.059 0.217 0.000 0.922 378 L HN 0.201 nan 8.230 nan 0.000 0.443 379 L N -0.391 120.919 121.223 0.145 0.000 2.628 379 L HA 0.252 4.592 4.340 0.001 0.000 0.229 379 L C 1.305 178.239 176.870 0.108 0.000 1.137 379 L CA 0.273 55.196 54.840 0.139 0.000 0.909 379 L CB -0.324 41.822 42.059 0.146 0.000 1.137 379 L HN 0.417 nan 8.230 nan 0.000 0.470 380 G N 1.022 109.877 108.800 0.093 0.000 2.179 380 G HA2 -0.283 3.677 3.960 0.001 0.000 0.257 380 G HA3 -0.283 3.677 3.960 0.001 0.000 0.257 380 G C 0.153 175.085 174.900 0.053 0.000 1.010 380 G CA 0.195 45.338 45.100 0.071 0.000 0.736 380 G HN 0.290 nan 8.290 nan 0.000 0.513 381 L N -0.434 120.822 121.223 0.054 0.000 2.360 381 L HA 0.540 4.880 4.340 0.001 0.000 0.271 381 L C 0.529 177.419 176.870 0.033 0.000 1.057 381 L CA -1.036 53.827 54.840 0.038 0.000 0.803 381 L CB 1.047 43.131 42.059 0.041 0.000 1.207 381 L HN 0.132 nan 8.230 nan 0.000 0.445 382 D N 0.147 120.561 120.400 0.023 0.000 2.382 382 D HA 0.018 4.658 4.640 0.001 0.000 0.245 382 D C 0.868 177.178 176.300 0.018 0.000 1.120 382 D CA 0.089 54.101 54.000 0.019 0.000 0.890 382 D CB 1.085 41.893 40.800 0.014 0.000 1.201 382 D HN 0.450 nan 8.370 nan 0.000 0.433 383 Q N 1.500 121.307 119.800 0.011 0.000 2.084 383 Q HA -0.167 4.174 4.340 0.001 0.000 0.202 383 Q C 0.799 176.803 176.000 0.008 0.000 0.978 383 Q CA 1.578 57.382 55.803 0.003 0.000 0.844 383 Q CB 0.101 28.832 28.738 -0.012 0.000 0.898 383 Q HN 0.602 nan 8.270 nan 0.000 0.426 384 D N 0.263 120.668 120.400 0.009 0.000 2.137 384 D HA -0.113 4.527 4.640 0.001 0.000 0.202 384 D C 1.314 177.627 176.300 0.021 0.000 0.970 384 D CA 0.964 54.971 54.000 0.012 0.000 0.837 384 D CB -0.081 40.724 40.800 0.008 0.000 0.981 384 D HN 0.156 nan 8.370 nan 0.000 0.475 385 D N 0.086 120.498 120.400 0.020 0.000 2.178 385 D HA -0.101 4.540 4.640 0.001 0.000 0.202 385 D C 1.954 178.276 176.300 0.036 0.000 0.974 385 D CA 0.360 54.374 54.000 0.024 0.000 0.841 385 D CB -0.155 40.655 40.800 0.017 0.000 0.953 385 D HN 0.143 nan 8.370 nan 0.000 0.478 386 L N 0.753 121.999 121.223 0.039 0.000 2.240 386 L HA 0.009 4.349 4.340 0.001 0.000 0.211 386 L C 2.041 178.958 176.870 0.079 0.000 1.106 386 L CA 1.205 56.079 54.840 0.055 0.000 0.793 386 L CB -0.248 41.842 42.059 0.052 0.000 0.927 386 L HN -0.170 nan 8.230 nan 0.000 0.446 387 R N -1.005 119.535 120.500 0.066 0.000 2.090 387 R HA -0.045 4.296 4.340 0.001 0.000 0.228 387 R C 1.895 178.250 176.300 0.092 0.000 1.110 387 R CA 1.530 57.681 56.100 0.085 0.000 0.973 387 R CB -0.118 30.212 30.300 0.051 0.000 0.869 387 R HN 0.348 nan 8.270 nan 0.000 0.440 388 V N 0.309 120.262 119.914 0.065 0.000 2.407 388 V HA -0.116 4.005 4.120 0.001 0.000 0.245 388 V C 2.164 178.297 176.094 0.066 0.000 1.041 388 V CA 1.769 64.100 62.300 0.052 0.000 1.040 388 V CB -0.105 31.739 31.823 0.035 0.000 0.671 388 V HN 0.298 nan 8.190 nan 0.000 0.455 389 S N -0.109 115.647 115.700 0.093 0.000 2.428 389 S HA 0.067 4.538 4.470 0.001 0.000 0.230 389 S C 1.743 176.468 174.600 0.209 0.000 1.014 389 S CA 0.966 59.260 58.200 0.158 0.000 0.957 389 S CB -0.150 63.125 63.200 0.125 0.000 0.784 389 S HN 0.446 nan 8.310 nan 0.000 0.499 390 L N 1.281 122.596 121.223 0.154 0.000 2.492 390 L HA 0.049 4.389 4.340 0.001 0.000 0.223 390 L C 2.018 178.890 176.870 0.003 0.000 1.132 390 L CA 1.059 55.989 54.840 0.149 0.000 0.850 390 L CB -0.286 41.932 42.059 0.267 0.000 0.966 390 L HN 0.428 nan 8.230 nan 0.000 0.454 391 T N -5.662 108.900 114.554 0.014 0.000 3.004 391 T HA 0.115 4.466 4.350 0.001 0.000 0.266 391 T C 0.601 175.253 174.700 -0.080 0.000 0.986 391 T CA 0.177 62.235 62.100 -0.071 0.000 0.902 391 T CB 0.245 69.125 68.868 0.021 0.000 1.118 391 T HN 0.169 nan 8.240 nan 0.000 0.522 392 T N -0.606 113.906 114.554 -0.071 0.000 2.971 392 T HA 0.634 4.984 4.350 0.001 0.000 0.304 392 T C -0.617 173.942 174.700 -0.235 0.000 1.038 392 T CA -0.945 61.084 62.100 -0.119 0.000 1.007 392 T CB 2.736 71.566 68.868 -0.063 0.000 1.055 392 T HN 0.169 nan 8.240 nan 0.000 0.451 393 R N 0.785 121.084 120.500 -0.335 0.000 2.574 393 R HA 0.724 5.064 4.340 0.001 0.000 0.266 393 R C -0.233 175.955 176.300 -0.188 0.000 1.157 393 R CA -0.549 55.284 56.100 -0.444 0.000 1.187 393 R CB 0.861 30.936 30.300 -0.375 0.000 1.179 393 R HN 0.753 nan 8.270 nan 0.000 0.600 394 V N -1.252 118.589 119.914 -0.121 0.000 2.789 394 V HA 0.634 4.754 4.120 0.001 0.000 0.311 394 V C -0.638 175.435 176.094 -0.035 0.000 1.073 394 V CA -0.911 61.359 62.300 -0.050 0.000 0.921 394 V CB 2.073 33.889 31.823 -0.011 0.000 1.009 394 V HN 0.681 nan 8.190 nan 0.000 0.426 395 M N 3.826 123.409 119.600 -0.028 0.000 2.593 395 M HA 0.591 5.072 4.480 0.001 0.000 0.290 395 M C -1.023 175.270 176.300 -0.011 0.000 1.244 395 M CA -0.569 54.720 55.300 -0.019 0.000 0.857 395 M CB 2.701 35.285 32.600 -0.026 0.000 1.738 395 M HN 0.593 nan 8.290 nan 0.000 0.461 396 L N 0.604 121.824 121.223 -0.006 0.000 2.439 396 L HA 0.314 4.654 4.340 0.001 0.000 0.261 396 L C 1.443 178.309 176.870 -0.006 0.000 1.153 396 L CA -0.125 54.712 54.840 -0.004 0.000 0.808 396 L CB 1.318 43.377 42.059 -0.000 0.000 1.126 396 L HN 0.906 nan 8.230 nan 0.000 0.460 397 T N -3.963 110.588 114.554 -0.005 0.000 3.088 397 T HA 0.018 4.368 4.350 0.001 0.000 0.259 397 T C 0.674 175.372 174.700 -0.003 0.000 1.122 397 T CA 0.425 62.522 62.100 -0.005 0.000 1.095 397 T CB -0.378 68.487 68.868 -0.005 0.000 0.930 397 T HN 0.735 nan 8.240 nan 0.000 0.508 398 T N -2.134 112.419 114.554 -0.001 0.000 2.927 398 T HA 0.856 5.207 4.350 0.001 0.000 0.286 398 T C 0.814 175.515 174.700 0.002 0.000 1.040 398 T CA -0.431 61.669 62.100 0.000 0.000 1.010 398 T CB 1.894 70.763 68.868 0.001 0.000 1.177 398 T HN 0.071 nan 8.240 nan 0.000 0.546 399 A N 0.126 122.948 122.820 0.003 0.000 1.964 399 A HA 0.750 5.070 4.320 0.001 0.000 0.198 399 A C 1.426 179.014 177.584 0.007 0.000 1.599 399 A CA 0.517 52.557 52.037 0.005 0.000 0.968 399 A CB -0.711 18.292 19.000 0.006 0.000 1.029 399 A HN 1.117 nan 8.150 nan 0.000 0.508 400 G N -0.934 107.870 108.800 0.006 0.000 2.479 400 G HA2 0.355 4.316 3.960 0.001 0.000 0.275 400 G HA3 0.355 4.316 3.960 0.001 0.000 0.275 400 G C 1.017 175.921 174.900 0.006 0.000 1.421 400 G CA 0.216 45.320 45.100 0.007 0.000 1.059 400 G HN 0.778 nan 8.290 nan 0.000 0.535 401 G N -0.806 107.998 108.800 0.006 0.000 2.776 401 G HA2 0.377 4.337 3.960 0.001 0.000 0.209 401 G HA3 0.377 4.337 3.960 0.001 0.000 0.209 401 G C 0.757 175.660 174.900 0.005 0.000 1.145 401 G CA 0.944 46.047 45.100 0.006 0.000 0.791 401 G HN 0.880 nan 8.290 nan 0.000 0.530 402 A N 0.023 122.846 122.820 0.004 0.000 2.407 402 A HA 0.587 4.907 4.320 0.001 0.000 0.248 402 A C 0.319 177.905 177.584 0.003 0.000 1.082 402 A CA -0.348 51.691 52.037 0.003 0.000 0.785 402 A CB 0.558 19.560 19.000 0.003 0.000 1.020 402 A HN 0.171 nan 8.150 nan 0.000 0.489 403 K N 0.375 120.776 120.400 0.002 0.000 2.298 403 K HA 0.503 4.824 4.320 0.001 0.000 0.280 403 K C 0.176 176.776 176.600 0.001 0.000 1.032 403 K CA 1.099 57.387 56.287 0.002 0.000 0.958 403 K CB 0.909 33.410 32.500 0.001 0.000 0.978 403 K HN 0.929 nan 8.250 nan 0.000 0.472 404 G N 1.237 110.038 108.800 0.001 0.000 2.739 404 G HA2 0.277 4.238 3.960 0.001 0.000 0.292 404 G HA3 0.277 4.238 3.960 0.001 0.000 0.292 404 G C -0.953 173.947 174.900 -0.001 0.000 1.444 404 G CA -0.591 44.509 45.100 -0.000 0.000 1.144 404 G HN 0.546 nan 8.290 nan 0.000 0.550 405 T N 0.079 114.632 114.554 -0.002 0.000 2.828 405 T HA 0.495 4.846 4.350 0.001 0.000 0.290 405 T C 0.924 175.621 174.700 -0.004 0.000 1.019 405 T CA 0.126 62.225 62.100 -0.002 0.000 1.031 405 T CB 0.883 69.749 68.868 -0.003 0.000 1.001 405 T HN 1.351 nan 8.240 nan 0.000 0.531 406 V N 3.498 123.410 119.914 -0.004 0.000 2.686 406 V HA 0.741 4.861 4.120 0.001 0.000 0.295 406 V C -0.073 176.016 176.094 -0.008 0.000 1.057 406 V CA -0.595 61.701 62.300 -0.006 0.000 1.012 406 V CB 0.262 32.083 31.823 -0.004 0.000 1.006 406 V HN 0.864 nan 8.190 nan 0.000 0.477 407 I N 0.248 120.811 120.570 -0.013 0.000 3.145 407 I HA 0.710 4.881 4.170 0.001 0.000 0.313 407 I C -0.536 175.567 176.117 -0.024 0.000 1.122 407 I CA -1.271 60.019 61.300 -0.016 0.000 0.987 407 I CB 2.337 40.327 38.000 -0.017 0.000 1.236 407 I HN 0.554 nan 8.210 nan 0.000 0.453 408 K N 1.967 122.351 120.400 -0.026 0.000 2.274 408 K HA 0.689 5.010 4.320 0.001 0.000 0.262 408 K C -1.597 174.977 176.600 -0.044 0.000 0.961 408 K CA -0.664 55.601 56.287 -0.036 0.000 0.833 408 K CB 2.145 34.629 32.500 -0.027 0.000 1.102 408 K HN 0.515 nan 8.250 nan 0.000 0.436 409 V N 6.051 125.927 119.914 -0.063 0.000 2.378 409 V HA 0.292 4.412 4.120 0.001 0.000 0.288 409 V C -2.329 173.716 176.094 -0.082 0.000 1.016 409 V CA -2.324 59.937 62.300 -0.066 0.000 0.840 409 V CB 1.328 33.108 31.823 -0.072 0.000 0.994 409 V HN 0.709 nan 8.190 nan 0.000 0.431 410 P HA 0.207 nan 4.420 nan 0.000 0.268 410 P C -0.487 176.762 177.300 -0.085 0.000 1.204 410 P CA 0.070 63.129 63.100 -0.068 0.000 0.768 410 P CB 0.550 32.223 31.700 -0.045 0.000 0.842 411 L N 2.711 123.869 121.223 -0.108 0.000 2.379 411 L HA 0.355 4.696 4.340 0.001 0.000 0.269 411 L C 1.168 177.973 176.870 -0.109 0.000 1.084 411 L CA -0.730 54.037 54.840 -0.122 0.000 0.802 411 L CB 0.552 42.513 42.059 -0.163 0.000 1.175 411 L HN 0.276 nan 8.230 nan 0.000 0.448 412 K N 0.387 120.729 120.400 -0.095 0.000 2.118 412 K HA 0.140 4.461 4.320 0.001 0.000 0.240 412 K C 1.003 177.536 176.600 -0.112 0.000 1.035 412 K CA -0.553 55.686 56.287 -0.079 0.000 0.899 412 K CB 1.098 33.565 32.500 -0.054 0.000 1.085 412 K HN 0.306 nan 8.250 nan 0.000 0.498 413 V N 2.018 121.890 119.914 -0.070 0.000 2.231 413 V HA -0.321 3.800 4.120 0.001 0.000 0.248 413 V C 2.763 178.811 176.094 -0.078 0.000 1.054 413 V CA 2.681 64.946 62.300 -0.058 0.000 1.015 413 V CB -0.976 30.863 31.823 0.027 0.000 0.638 413 V HN 0.995 nan 8.190 nan 0.000 0.444 414 E N -0.683 119.494 120.200 -0.039 0.000 2.118 414 E HA -0.323 4.027 4.350 0.001 0.000 0.195 414 E C 1.975 178.542 176.600 -0.055 0.000 0.992 414 E CA 1.698 58.081 56.400 -0.027 0.000 0.804 414 E CB -0.702 28.989 29.700 -0.015 0.000 0.741 414 E HN 0.803 nan 8.360 nan 0.000 0.458 415 Q N -0.869 118.883 119.800 -0.081 0.000 2.226 415 Q HA 0.043 4.383 4.340 0.001 0.000 0.204 415 Q C 2.514 178.437 176.000 -0.129 0.000 0.975 415 Q CA 1.168 56.920 55.803 -0.085 0.000 0.866 415 Q CB -0.060 28.624 28.738 -0.089 0.000 0.915 415 Q HN 0.609 nan 8.270 nan 0.000 0.440 416 A N 0.890 123.553 122.820 -0.262 0.000 2.030 416 A HA -0.075 4.246 4.320 0.001 0.000 0.215 416 A C 1.680 179.049 177.584 -0.358 0.000 1.164 416 A CA 0.523 52.261 52.037 -0.497 0.000 0.697 416 A CB -0.075 18.244 19.000 -1.135 0.000 0.827 416 A HN 0.226 nan 8.150 nan 0.000 0.457 417 N N 1.287 119.898 118.700 -0.148 0.000 2.120 417 N HA -0.141 4.600 4.740 0.001 0.000 0.188 417 N C 1.173 176.737 175.510 0.090 0.000 1.024 417 N CA 1.453 54.561 53.050 0.096 0.000 0.852 417 N CB -0.430 38.122 38.487 0.110 0.000 1.003 417 N HN 0.446 nan 8.380 nan 0.000 0.424 418 N N 1.085 119.804 118.700 0.031 0.000 2.188 418 N HA -0.025 4.715 4.740 0.001 0.000 0.184 418 N C 1.645 177.193 175.510 0.063 0.000 1.018 418 N CA 0.952 54.028 53.050 0.043 0.000 0.858 418 N CB -0.384 38.112 38.487 0.016 0.000 0.989 418 N HN 0.219 nan 8.380 nan 0.000 0.426 419 A N 1.499 124.354 122.820 0.058 0.000 1.898 419 A HA -0.113 4.208 4.320 0.001 0.000 0.216 419 A C 2.267 179.912 177.584 0.101 0.000 1.181 419 A CA 1.035 53.122 52.037 0.083 0.000 0.620 419 A CB -0.367 18.705 19.000 0.121 0.000 0.819 419 A HN 0.127 nan 8.150 nan 0.000 0.442 420 R N 0.023 120.612 120.500 0.148 0.000 2.073 420 R HA -0.154 4.187 4.340 0.001 0.000 0.234 420 R C 1.115 177.558 176.300 0.238 0.000 1.134 420 R CA 2.004 58.238 56.100 0.223 0.000 0.952 420 R CB -0.596 29.900 30.300 0.327 0.000 0.850 420 R HN 0.428 nan 8.270 nan 0.000 0.433 421 D N 0.353 120.883 120.400 0.217 0.000 2.178 421 D HA -0.066 4.574 4.640 0.001 0.000 0.202 421 D C 1.666 178.035 176.300 0.114 0.000 0.974 421 D CA 1.327 55.434 54.000 0.178 0.000 0.841 421 D CB -0.133 40.739 40.800 0.121 0.000 0.953 421 D HN 0.357 nan 8.370 nan 0.000 0.478 422 A N 0.570 123.451 122.820 0.103 0.000 1.968 422 A HA -0.087 4.234 4.320 0.001 0.000 0.217 422 A C 2.079 179.726 177.584 0.106 0.000 1.169 422 A CA 0.711 52.800 52.037 0.087 0.000 0.638 422 A CB -0.454 18.583 19.000 0.063 0.000 0.812 422 A HN 0.244 nan 8.150 nan 0.000 0.446 423 L N -0.482 120.807 121.223 0.110 0.000 2.156 423 L HA 0.107 4.447 4.340 0.001 0.000 0.208 423 L C 2.499 179.485 176.870 0.194 0.000 1.095 423 L CA 1.916 56.832 54.840 0.125 0.000 0.770 423 L CB -0.713 41.404 42.059 0.098 0.000 0.914 423 L HN 0.289 nan 8.230 nan 0.000 0.439 424 A N -0.375 122.569 122.820 0.207 0.000 1.898 424 A HA -0.188 4.133 4.320 0.001 0.000 0.216 424 A C 2.287 179.997 177.584 0.211 0.000 1.181 424 A CA 1.817 53.996 52.037 0.236 0.000 0.620 424 A CB -0.417 18.722 19.000 0.232 0.000 0.819 424 A HN 0.510 nan 8.150 nan 0.000 0.442 425 K N -0.858 119.637 120.400 0.158 0.000 2.228 425 K HA -0.004 4.316 4.320 0.001 0.000 0.202 425 K C 1.836 178.588 176.600 0.253 0.000 1.051 425 K CA 1.389 57.784 56.287 0.180 0.000 0.960 425 K CB -0.127 32.444 32.500 0.118 0.000 0.743 425 K HN 0.437 nan 8.250 nan 0.000 0.458 426 T N 0.662 115.379 114.554 0.271 0.000 2.857 426 T HA -0.064 4.287 4.350 0.001 0.000 0.266 426 T C 1.997 176.971 174.700 0.456 0.000 1.048 426 T CA 0.782 63.108 62.100 0.377 0.000 1.139 426 T CB -0.043 69.046 68.868 0.369 0.000 0.874 426 T HN -0.075 nan 8.240 nan 0.000 0.455 427 V N 0.402 120.544 119.914 0.381 0.000 2.307 427 V HA -0.126 3.995 4.120 0.001 0.000 0.245 427 V C 2.012 178.259 176.094 0.255 0.000 1.045 427 V CA 1.431 63.929 62.300 0.330 0.000 1.024 427 V CB -0.595 31.423 31.823 0.325 0.000 0.651 427 V HN 0.501 nan 8.190 nan 0.000 0.449 428 Y N 0.469 120.884 120.300 0.192 0.000 2.181 428 Y HA -0.248 4.303 4.550 0.001 0.000 0.288 428 Y C 2.915 178.884 175.900 0.115 0.000 1.146 428 Y CA 1.971 60.172 58.100 0.169 0.000 1.164 428 Y CB -0.186 38.397 38.460 0.206 0.000 0.982 428 Y HN 0.253 nan 8.280 nan 0.000 0.515 429 S N -0.842 114.978 115.700 0.200 0.000 2.356 429 S HA -0.280 4.191 4.470 0.001 0.000 0.223 429 S C 1.729 176.281 174.600 -0.080 0.000 1.032 429 S CA 1.995 60.244 58.200 0.081 0.000 1.005 429 S CB -0.595 62.669 63.200 0.106 0.000 0.867 429 S HN 0.707 nan 8.310 nan 0.000 0.449 430 H N 0.108 119.101 119.070 -0.128 0.000 2.457 430 H HA 0.070 4.627 4.556 0.001 0.000 0.294 430 H C 1.820 176.947 175.328 -0.335 0.000 1.064 430 H CA 1.373 57.236 56.048 -0.307 0.000 1.330 430 H CB -0.172 29.189 29.762 -0.667 0.000 1.395 430 H HN 0.299 nan 8.280 nan 0.000 0.541 431 L N -0.546 120.559 121.223 -0.197 0.000 2.156 431 L HA -0.075 4.265 4.340 0.001 0.000 0.208 431 L C 1.856 178.495 176.870 -0.385 0.000 1.095 431 L CA 1.317 55.985 54.840 -0.285 0.000 0.770 431 L CB -0.640 41.271 42.059 -0.247 0.000 0.914 431 L HN 0.189 nan 8.230 nan 0.000 0.439 432 F N 0.336 119.951 119.950 -0.558 0.000 2.259 432 F HA -0.103 4.425 4.527 0.001 0.000 0.298 432 F C 1.980 177.458 175.800 -0.536 0.000 1.088 432 F CA 1.404 59.044 58.000 -0.599 0.000 1.358 432 F CB -0.288 38.376 39.000 -0.561 0.000 1.040 432 F HN 0.184 nan 8.300 nan 0.000 0.505 433 D N -1.333 118.784 120.400 -0.471 0.000 2.219 433 D HA -0.182 4.458 4.640 0.001 0.000 0.205 433 D C 2.237 178.235 176.300 -0.503 0.000 0.970 433 D CA 1.171 54.856 54.000 -0.525 0.000 0.851 433 D CB -0.617 40.044 40.800 -0.232 0.000 0.943 433 D HN 0.455 nan 8.370 nan 0.000 0.488 434 H N 0.648 119.414 119.070 -0.506 0.000 2.363 434 H HA -0.020 4.536 4.556 0.001 0.000 0.301 434 H C 1.937 176.969 175.328 -0.492 0.000 1.074 434 H CA 0.875 56.654 56.048 -0.450 0.000 1.354 434 H CB 0.099 29.610 29.762 -0.418 0.000 1.397 434 H HN -0.081 nan 8.280 nan 0.000 0.516 435 V N 0.834 120.394 119.914 -0.590 0.000 2.343 435 V HA -0.218 3.902 4.120 0.001 0.000 0.247 435 V C 2.938 178.638 176.094 -0.657 0.000 1.051 435 V CA 1.416 63.336 62.300 -0.632 0.000 1.036 435 V CB -0.477 30.923 31.823 -0.704 0.000 0.654 435 V HN 0.251 nan 8.190 nan 0.000 0.451 436 V N 0.447 119.861 119.914 -0.834 0.000 2.427 436 V HA -0.261 3.859 4.120 0.001 0.000 0.248 436 V C 2.263 177.984 176.094 -0.622 0.000 1.051 436 V CA 2.269 64.097 62.300 -0.787 0.000 1.048 436 V CB -0.904 30.243 31.823 -1.126 0.000 0.666 436 V HN 0.666 nan 8.190 nan 0.000 0.456 437 N N 0.083 118.426 118.700 -0.595 0.000 2.244 437 N HA -0.191 4.550 4.740 0.001 0.000 0.183 437 N C 2.009 177.234 175.510 -0.475 0.000 1.016 437 N CA 0.945 53.708 53.050 -0.480 0.000 0.866 437 N CB 0.087 38.337 38.487 -0.395 0.000 0.980 437 N HN 0.237 nan 8.380 nan 0.000 0.430 438 R N 0.411 120.588 120.500 -0.537 0.000 2.153 438 R HA 0.088 4.428 4.340 0.001 0.000 0.218 438 R C 1.978 178.034 176.300 -0.406 0.000 1.072 438 R CA 0.415 56.234 56.100 -0.469 0.000 0.990 438 R CB -0.292 29.696 30.300 -0.520 0.000 0.889 438 R HN 0.042 nan 8.270 nan 0.000 0.452 439 V N 0.980 120.644 119.914 -0.416 0.000 2.453 439 V HA -0.173 3.948 4.120 0.001 0.000 0.247 439 V C 1.448 177.162 176.094 -0.632 0.000 1.048 439 V CA 1.669 63.743 62.300 -0.377 0.000 1.049 439 V CB -0.477 31.191 31.823 -0.258 0.000 0.672 439 V HN 0.331 nan 8.190 nan 0.000 0.457 440 N N 0.085 118.411 118.700 -0.622 0.000 2.331 440 N HA -0.119 4.621 4.740 0.001 0.000 0.180 440 N C 1.836 176.945 175.510 -0.669 0.000 1.019 440 N CA 0.845 53.462 53.050 -0.721 0.000 0.881 440 N CB -0.217 37.947 38.487 -0.538 0.000 0.972 440 N HN 0.573 nan 8.380 nan 0.000 0.435 441 Q N -0.596 118.902 119.800 -0.503 0.000 2.488 441 Q HA 0.058 4.398 4.340 0.001 0.000 0.211 441 Q C 1.638 177.423 176.000 -0.359 0.000 0.967 441 Q CA 0.379 55.963 55.803 -0.364 0.000 0.926 441 Q CB 0.033 28.601 28.738 -0.283 0.000 0.992 441 Q HN 0.401 nan 8.270 nan 0.000 0.506 442 C N 0.070 119.058 119.300 -0.520 0.000 2.435 442 C HA -0.076 4.385 4.460 0.001 0.000 0.279 442 C C 0.982 175.864 174.990 -0.181 0.000 1.321 442 C CA 0.262 59.075 59.018 -0.342 0.000 1.752 442 C CB -0.746 26.833 27.740 -0.267 0.000 1.959 442 C HN 0.512 nan 8.230 nan 0.000 0.500 443 F N 0.067 120.013 119.950 -0.005 0.000 2.593 443 F HA 0.480 5.007 4.527 0.001 0.000 0.336 443 F C -2.606 173.266 175.800 0.119 0.000 1.491 443 F CA -3.135 54.890 58.000 0.042 0.000 1.114 443 F CB -1.013 38.012 39.000 0.041 0.000 1.468 443 F HN -0.076 nan 8.300 nan 0.000 0.579 444 P HA 0.498 nan 4.420 nan 0.000 0.277 444 P C -0.901 176.522 177.300 0.206 0.000 1.271 444 P CA -0.177 62.949 63.100 0.044 0.000 0.795 444 P CB 1.441 33.075 31.700 -0.110 0.000 1.101 445 F N -3.648 116.287 119.950 -0.025 0.000 2.639 445 F HA 0.454 4.981 4.527 0.001 0.000 0.320 445 F C 0.676 176.438 175.800 -0.064 0.000 1.128 445 F CA -0.879 57.100 58.000 -0.035 0.000 1.037 445 F CB 0.607 39.589 39.000 -0.031 0.000 1.288 445 F HN 0.186 nan 8.300 nan 0.000 0.463 446 E N 0.524 120.729 120.200 0.008 0.000 2.072 446 E HA 0.040 4.390 4.350 0.001 0.000 0.190 446 E C 0.283 176.865 176.600 -0.030 0.000 0.982 446 E CA 1.503 57.860 56.400 -0.072 0.000 0.803 446 E CB 0.173 29.859 29.700 -0.024 0.000 0.755 446 E HN 0.615 nan 8.360 nan 0.000 0.453 447 T N -0.425 114.209 114.554 0.134 0.000 2.923 447 T HA 0.427 4.777 4.350 0.001 0.000 0.311 447 T C -1.661 173.172 174.700 0.221 0.000 1.183 447 T CA -0.543 61.639 62.100 0.137 0.000 1.020 447 T CB 1.563 70.462 68.868 0.051 0.000 1.165 447 T HN 0.131 nan 8.240 nan 0.000 0.482 448 S N 1.974 117.779 115.700 0.174 0.000 2.550 448 S HA 0.597 5.067 4.470 0.001 0.000 0.270 448 S C 0.373 174.978 174.600 0.007 0.000 1.145 448 S CA -0.545 57.718 58.200 0.104 0.000 0.852 448 S CB 1.615 64.901 63.200 0.144 0.000 1.119 448 S HN 0.563 nan 8.310 nan 0.000 0.465 449 S N 0.371 115.968 115.700 -0.171 0.000 2.444 449 S HA 0.346 4.817 4.470 0.001 0.000 0.223 449 S C -0.329 173.927 174.600 -0.574 0.000 1.054 449 S CA 0.325 58.185 58.200 -0.567 0.000 0.947 449 S CB -0.392 62.122 63.200 -1.143 0.000 0.850 449 S HN 0.778 nan 8.310 nan 0.000 0.527 450 Y N 0.250 120.610 120.300 0.100 0.000 2.698 450 Y HA 0.696 5.246 4.550 0.001 0.000 0.332 450 Y C -0.680 175.274 175.900 0.090 0.000 1.119 450 Y CA -1.872 56.230 58.100 0.003 0.000 1.109 450 Y CB 1.269 39.665 38.460 -0.106 0.000 1.308 450 Y HN 0.243 nan 8.280 nan 0.000 0.499 451 F N -1.278 118.742 119.950 0.117 0.000 2.678 451 F HA 0.768 5.295 4.527 0.001 0.000 0.308 451 F C -2.298 173.557 175.800 0.092 0.000 1.118 451 F CA -1.406 56.573 58.000 -0.035 0.000 0.959 451 F CB 1.197 39.824 39.000 -0.621 0.000 1.305 451 F HN 0.248 nan 8.300 nan 0.000 0.443 452 I N 2.220 123.091 120.570 0.503 0.000 2.410 452 I HA 0.655 4.825 4.170 0.001 0.000 0.286 452 I C -0.150 176.260 176.117 0.488 0.000 1.009 452 I CA -0.805 60.741 61.300 0.410 0.000 1.111 452 I CB 1.812 40.052 38.000 0.399 0.000 1.262 452 I HN 0.962 nan 8.210 nan 0.000 0.443 453 G N 5.569 114.711 108.800 0.570 0.000 2.590 453 G HA2 0.608 4.568 3.960 0.001 0.000 0.310 453 G HA3 0.608 4.568 3.960 0.001 0.000 0.310 453 G C -0.935 174.231 174.900 0.444 0.000 1.347 453 G CA -0.437 45.030 45.100 0.611 0.000 0.963 453 G HN 0.284 nan 8.290 nan 0.000 0.494 454 V N 2.461 122.525 119.914 0.249 0.000 2.465 454 V HA 0.513 4.634 4.120 0.001 0.000 0.279 454 V C -0.157 175.831 176.094 -0.176 0.000 1.045 454 V CA -0.643 61.677 62.300 0.034 0.000 0.938 454 V CB 1.164 33.016 31.823 0.047 0.000 0.986 454 V HN 0.651 nan 8.190 nan 0.000 0.467 455 L N 5.975 126.966 121.223 -0.388 0.000 2.376 455 L HA 0.695 5.035 4.340 0.001 0.000 0.275 455 L C -0.776 175.904 176.870 -0.317 0.000 0.987 455 L CA -0.147 54.331 54.840 -0.603 0.000 0.828 455 L CB 1.901 43.285 42.059 -1.125 0.000 1.249 455 L HN 0.837 nan 8.230 nan 0.000 0.409 456 D N 5.285 125.550 120.400 -0.224 0.000 2.629 456 D HA 0.416 5.057 4.640 0.001 0.000 0.250 456 D C -1.080 175.139 176.300 -0.135 0.000 1.126 456 D CA -0.322 53.587 54.000 -0.152 0.000 0.852 456 D CB 2.526 43.257 40.800 -0.115 0.000 1.335 456 D HN 0.616 nan 8.370 nan 0.000 0.518 457 I N 0.675 121.190 120.570 -0.091 0.000 2.865 457 I HA 0.546 4.716 4.170 0.001 0.000 0.302 457 I C -0.588 175.527 176.117 -0.002 0.000 1.140 457 I CA -0.897 60.376 61.300 -0.045 0.000 1.021 457 I CB 2.139 40.126 38.000 -0.021 0.000 1.233 457 I HN 0.646 nan 8.210 nan 0.000 0.427 458 A N 4.426 127.265 122.820 0.031 0.000 2.561 458 A HA 0.435 4.756 4.320 0.001 0.000 0.251 458 A C 0.548 178.178 177.584 0.078 0.000 1.062 458 A CA 0.627 52.698 52.037 0.056 0.000 0.761 458 A CB -0.743 18.307 19.000 0.084 0.000 0.986 458 A HN 0.921 nan 8.150 nan 0.000 0.510 459 G N 0.999 109.847 108.800 0.080 0.000 2.616 459 G HA2 0.415 4.376 3.960 0.001 0.000 0.268 459 G HA3 0.415 4.376 3.960 0.001 0.000 0.268 459 G C -0.048 174.949 174.900 0.161 0.000 1.213 459 G CA -0.653 44.526 45.100 0.132 0.000 0.926 459 G HN 0.829 nan 8.290 nan 0.000 0.523 460 F N 0.577 120.579 119.950 0.086 0.000 2.563 460 F HA 0.400 4.928 4.527 0.001 0.000 0.363 460 F C 0.590 176.388 175.800 -0.004 0.000 1.123 460 F CA 0.006 58.033 58.000 0.045 0.000 1.307 460 F CB 0.603 39.633 39.000 0.050 0.000 1.115 460 F HN 0.644 nan 8.300 nan 0.000 0.592 461 E N 4.980 124.684 120.200 -0.827 0.000 2.375 461 E HA 0.440 4.791 4.350 0.001 0.000 0.280 461 E C -2.064 174.123 176.600 -0.688 0.000 0.972 461 E CA -1.055 54.974 56.400 -0.619 0.000 0.782 461 E CB 1.687 31.155 29.700 -0.385 0.000 1.229 461 E HN 0.647 nan 8.360 nan 0.000 0.439 462 Y N 0.370 120.222 120.300 -0.747 0.000 2.479 462 Y HA 0.738 5.288 4.550 0.001 0.000 0.338 462 Y C -1.825 173.738 175.900 -0.562 0.000 1.055 462 Y CA -1.302 56.481 58.100 -0.528 0.000 1.023 462 Y CB 1.036 39.294 38.460 -0.337 0.000 1.287 462 Y HN 0.484 nan 8.280 nan 0.000 0.447 463 F N 1.278 121.181 119.950 -0.078 0.000 2.629 463 F HA 0.498 5.025 4.527 0.001 0.000 0.386 463 F C 1.528 177.335 175.800 0.012 0.000 1.135 463 F CA -0.977 56.957 58.000 -0.110 0.000 1.116 463 F CB 1.057 40.008 39.000 -0.081 0.000 1.426 463 F HN 0.637 nan 8.300 nan 0.000 0.501 464 E N -0.969 119.343 120.200 0.187 0.000 2.051 464 E HA -0.114 4.237 4.350 0.001 0.000 0.192 464 E C -0.355 176.453 176.600 0.346 0.000 0.991 464 E CA 1.139 57.631 56.400 0.154 0.000 0.799 464 E CB -0.054 29.584 29.700 -0.103 0.000 0.748 464 E HN 0.436 nan 8.360 nan 0.000 0.449 465 H N 0.260 119.429 119.070 0.166 0.000 2.511 465 H HA 0.334 4.891 4.556 0.001 0.000 0.328 465 H C -0.585 174.813 175.328 0.117 0.000 1.044 465 H CA -1.013 55.103 56.048 0.113 0.000 1.212 465 H CB 0.850 30.655 29.762 0.073 0.000 1.428 465 H HN 0.010 nan 8.280 nan 0.000 0.483 466 N N 1.658 120.485 118.700 0.212 0.000 2.319 466 N HA 0.298 5.038 4.740 0.001 0.000 0.305 466 N C -0.508 175.194 175.510 0.320 0.000 1.103 466 N CA -0.380 52.800 53.050 0.217 0.000 0.815 466 N CB 2.503 41.004 38.487 0.023 0.000 1.288 466 N HN 0.658 nan 8.380 nan 0.000 0.493 467 S N -0.070 115.867 115.700 0.395 0.000 2.998 467 S HA 0.358 4.828 4.470 0.001 0.000 0.321 467 S C 0.604 175.411 174.600 0.346 0.000 1.171 467 S CA -0.617 57.863 58.200 0.467 0.000 0.882 467 S CB 0.447 63.814 63.200 0.279 0.000 1.301 467 S HN 0.399 nan 8.310 nan 0.000 0.629 468 F N 1.928 121.719 119.950 -0.265 0.000 2.236 468 F HA 0.004 4.531 4.527 0.001 0.000 0.302 468 F C 2.043 177.728 175.800 -0.191 0.000 1.073 468 F CA 2.011 59.610 58.000 -0.668 0.000 1.336 468 F CB -0.386 38.062 39.000 -0.920 0.000 1.040 468 F HN 0.665 nan 8.300 nan 0.000 0.507 469 E N -0.399 119.782 120.200 -0.032 0.000 2.107 469 E HA -0.175 4.176 4.350 0.001 0.000 0.191 469 E C 2.040 178.628 176.600 -0.020 0.000 0.982 469 E CA 0.985 57.355 56.400 -0.049 0.000 0.809 469 E CB -0.197 29.515 29.700 0.018 0.000 0.756 469 E HN 0.361 nan 8.360 nan 0.000 0.459 470 Q N -0.921 118.955 119.800 0.127 0.000 2.245 470 Q HA 0.023 4.364 4.340 0.001 0.000 0.201 470 Q C 1.595 177.737 176.000 0.238 0.000 0.955 470 Q CA 0.616 56.549 55.803 0.217 0.000 0.870 470 Q CB -0.200 28.748 28.738 0.350 0.000 0.945 470 Q HN 0.320 nan 8.270 nan 0.000 0.461 471 F N -0.729 119.210 119.950 -0.019 0.000 2.146 471 F HA -0.207 4.320 4.527 0.001 0.000 0.298 471 F C 1.698 177.337 175.800 -0.268 0.000 1.096 471 F CA 1.039 58.883 58.000 -0.260 0.000 1.275 471 F CB -0.090 38.583 39.000 -0.544 0.000 1.008 471 F HN 0.042 nan 8.300 nan 0.000 0.480 472 C N 0.361 119.416 119.300 -0.408 0.000 2.466 472 C HA -0.057 4.404 4.460 0.001 0.000 0.278 472 C C 2.731 177.548 174.990 -0.289 0.000 1.288 472 C CA 0.746 59.365 59.018 -0.665 0.000 1.722 472 C CB -1.141 25.855 27.740 -1.241 0.000 2.017 472 C HN 0.502 nan 8.230 nan 0.000 0.488 473 I N 1.517 122.018 120.570 -0.115 0.000 2.179 473 I HA -0.205 3.966 4.170 0.001 0.000 0.242 473 I C 2.144 178.305 176.117 0.073 0.000 1.088 473 I CA 1.667 63.002 61.300 0.058 0.000 1.357 473 I CB -0.534 37.494 38.000 0.046 0.000 1.051 473 I HN 0.473 nan 8.210 nan 0.000 0.409 474 N N -0.485 118.210 118.700 -0.008 0.000 2.309 474 N HA -0.226 4.515 4.740 0.001 0.000 0.182 474 N C 1.851 177.415 175.510 0.090 0.000 1.018 474 N CA 0.700 53.742 53.050 -0.013 0.000 0.876 474 N CB -0.071 38.281 38.487 -0.225 0.000 0.972 474 N HN 0.336 nan 8.380 nan 0.000 0.434 475 Y N 1.478 121.721 120.300 -0.096 0.000 2.220 475 Y HA -0.117 4.433 4.550 0.001 0.000 0.291 475 Y C 2.485 178.473 175.900 0.147 0.000 1.129 475 Y CA 0.469 58.547 58.100 -0.036 0.000 1.161 475 Y CB -0.946 37.380 38.460 -0.223 0.000 0.997 475 Y HN 0.102 nan 8.280 nan 0.000 0.522 476 C N 1.398 120.704 119.300 0.010 0.000 2.425 476 C HA -0.138 4.323 4.460 0.001 0.000 0.277 476 C C 2.474 177.468 174.990 0.007 0.000 1.280 476 C CA 1.764 60.756 59.018 -0.043 0.000 1.744 476 C CB -1.483 26.357 27.740 0.167 0.000 1.989 476 C HN 0.650 nan 8.230 nan 0.000 0.491 477 N N 0.290 119.072 118.700 0.136 0.000 2.376 477 N HA -0.080 4.660 4.740 0.001 0.000 0.177 477 N C 1.690 177.344 175.510 0.240 0.000 1.024 477 N CA 0.913 54.092 53.050 0.215 0.000 0.893 477 N CB -0.329 38.385 38.487 0.378 0.000 0.980 477 N HN 0.646 nan 8.380 nan 0.000 0.439 478 E N 1.793 122.172 120.200 0.298 0.000 2.072 478 E HA -0.057 4.294 4.350 0.001 0.000 0.191 478 E C 1.703 178.397 176.600 0.157 0.000 0.985 478 E CA 1.223 57.818 56.400 0.326 0.000 0.801 478 E CB 0.134 30.088 29.700 0.422 0.000 0.750 478 E HN 0.099 nan 8.360 nan 0.000 0.452 479 K N -0.187 120.263 120.400 0.083 0.000 2.148 479 K HA -0.046 4.275 4.320 0.001 0.000 0.204 479 K C 2.075 178.714 176.600 0.066 0.000 1.050 479 K CA 0.822 57.138 56.287 0.048 0.000 0.942 479 K CB -0.095 32.366 32.500 -0.065 0.000 0.724 479 K HN 0.260 nan 8.250 nan 0.000 0.446 480 L N 0.473 121.718 121.223 0.037 0.000 2.291 480 L HA -0.139 4.201 4.340 0.001 0.000 0.214 480 L C 2.348 179.289 176.870 0.118 0.000 1.120 480 L CA 0.694 55.576 54.840 0.069 0.000 0.799 480 L CB -0.054 42.014 42.059 0.015 0.000 0.925 480 L HN 0.113 nan 8.230 nan 0.000 0.446 481 Q N -0.148 119.639 119.800 -0.021 0.000 2.354 481 Q HA -0.156 4.184 4.340 0.001 0.000 0.203 481 Q C 2.020 178.011 176.000 -0.015 0.000 0.933 481 Q CA 0.957 56.667 55.803 -0.154 0.000 0.901 481 Q CB 0.129 28.400 28.738 -0.778 0.000 1.007 481 Q HN 0.419 nan 8.270 nan 0.000 0.495 482 Q N -1.091 118.750 119.800 0.069 0.000 2.119 482 Q HA -0.161 4.180 4.340 0.001 0.000 0.201 482 Q C 1.618 177.717 176.000 0.164 0.000 0.972 482 Q CA 1.425 57.300 55.803 0.121 0.000 0.847 482 Q CB -0.210 28.614 28.738 0.143 0.000 0.903 482 Q HN 0.481 nan 8.270 nan 0.000 0.433 483 F N 0.057 120.060 119.950 0.089 0.000 2.128 483 F HA -0.119 4.409 4.527 0.001 0.000 0.295 483 F C 1.807 177.730 175.800 0.205 0.000 1.100 483 F CA 1.367 59.449 58.000 0.138 0.000 1.260 483 F CB -0.482 38.606 39.000 0.148 0.000 1.009 483 F HN 0.182 nan 8.300 nan 0.000 0.476 484 F N 1.242 121.262 119.950 0.116 0.000 2.043 484 F HA -0.372 4.156 4.527 0.001 0.000 0.297 484 F C 2.266 177.851 175.800 -0.358 0.000 1.121 484 F CA 1.707 59.555 58.000 -0.254 0.000 1.199 484 F CB -0.416 38.393 39.000 -0.318 0.000 0.968 484 F HN -0.021 nan 8.300 nan 0.000 0.478 485 N N 0.657 119.201 118.700 -0.260 0.000 2.223 485 N HA -0.182 4.559 4.740 0.001 0.000 0.185 485 N C 1.540 176.859 175.510 -0.320 0.000 1.016 485 N CA 1.451 54.297 53.050 -0.341 0.000 0.863 485 N CB -0.428 37.995 38.487 -0.107 0.000 0.983 485 N HN 0.542 nan 8.380 nan 0.000 0.429 486 E N -0.022 120.047 120.200 -0.218 0.000 2.152 486 E HA -0.006 4.345 4.350 0.001 0.000 0.192 486 E C 1.649 178.075 176.600 -0.289 0.000 0.983 486 E CA 0.508 56.767 56.400 -0.235 0.000 0.818 486 E CB 0.233 29.857 29.700 -0.127 0.000 0.758 486 E HN 0.134 nan 8.360 nan 0.000 0.467 487 R N 0.292 120.603 120.500 -0.315 0.000 2.161 487 R HA 0.045 4.386 4.340 0.001 0.000 0.213 487 R C 2.013 178.198 176.300 -0.192 0.000 1.055 487 R CA 0.446 56.400 56.100 -0.243 0.000 0.996 487 R CB -0.074 30.109 30.300 -0.195 0.000 0.901 487 R HN 0.212 nan 8.270 nan 0.000 0.456 488 I N 0.464 120.857 120.570 -0.294 0.000 2.500 488 I HA -0.142 4.029 4.170 0.001 0.000 0.252 488 I C 2.159 178.099 176.117 -0.295 0.000 1.142 488 I CA 0.577 61.694 61.300 -0.305 0.000 1.451 488 I CB -0.809 36.901 38.000 -0.485 0.000 1.093 488 I HN 0.053 nan 8.210 nan 0.000 0.430 489 L N 1.146 122.159 121.223 -0.351 0.000 2.093 489 L HA -0.139 4.202 4.340 0.001 0.000 0.208 489 L C 2.472 179.166 176.870 -0.294 0.000 1.085 489 L CA 1.855 56.475 54.840 -0.366 0.000 0.755 489 L CB -0.611 41.123 42.059 -0.541 0.000 0.904 489 L HN 0.071 nan 8.230 nan 0.000 0.435 490 K N -0.652 119.597 120.400 -0.253 0.000 2.155 490 K HA -0.209 4.112 4.320 0.001 0.000 0.203 490 K C 2.064 178.547 176.600 -0.195 0.000 1.052 490 K CA 1.342 57.510 56.287 -0.199 0.000 0.948 490 K CB 0.006 32.408 32.500 -0.162 0.000 0.728 490 K HN 0.485 nan 8.250 nan 0.000 0.448 491 E N 0.304 120.390 120.200 -0.190 0.000 2.152 491 E HA -0.167 4.183 4.350 0.001 0.000 0.192 491 E C 1.423 177.874 176.600 -0.247 0.000 0.983 491 E CA 0.840 57.138 56.400 -0.170 0.000 0.818 491 E CB 0.300 29.931 29.700 -0.115 0.000 0.758 491 E HN 0.238 nan 8.360 nan 0.000 0.467 492 E N 0.605 120.605 120.200 -0.334 0.000 2.051 492 E HA -0.130 4.220 4.350 0.001 0.000 0.189 492 E C 2.116 178.145 176.600 -0.952 0.000 0.979 492 E CA 0.753 56.798 56.400 -0.592 0.000 0.803 492 E CB -0.177 29.252 29.700 -0.452 0.000 0.761 492 E HN 0.408 nan 8.360 nan 0.000 0.451 493 Q N 0.558 120.030 119.800 -0.547 0.000 2.170 493 Q HA -0.150 4.191 4.340 0.001 0.000 0.203 493 Q C 1.869 177.715 176.000 -0.256 0.000 0.976 493 Q CA 1.103 56.697 55.803 -0.348 0.000 0.858 493 Q CB -0.041 28.591 28.738 -0.177 0.000 0.907 493 Q HN 0.338 nan 8.270 nan 0.000 0.433 494 E N 0.157 120.210 120.200 -0.245 0.000 2.216 494 E HA -0.128 4.222 4.350 0.001 0.000 0.192 494 E C 1.734 178.237 176.600 -0.163 0.000 0.988 494 E CA 0.334 56.635 56.400 -0.165 0.000 0.834 494 E CB 0.110 29.729 29.700 -0.134 0.000 0.772 494 E HN 0.169 nan 8.360 nan 0.000 0.479 495 L N -0.025 121.050 121.223 -0.247 0.000 2.179 495 L HA -0.095 4.246 4.340 0.001 0.000 0.208 495 L C 1.503 178.336 176.870 -0.061 0.000 1.096 495 L CA 1.347 56.099 54.840 -0.147 0.000 0.779 495 L CB -0.091 41.897 42.059 -0.119 0.000 0.922 495 L HN 0.066 nan 8.230 nan 0.000 0.443 496 Y N -0.950 119.260 120.300 -0.149 0.000 2.516 496 Y HA 0.017 4.568 4.550 0.001 0.000 0.291 496 Y C 2.462 178.246 175.900 -0.193 0.000 1.131 496 Y CA 0.253 58.204 58.100 -0.248 0.000 1.281 496 Y CB -0.682 37.707 38.460 -0.118 0.000 1.013 496 Y HN 0.304 nan 8.280 nan 0.000 0.554 497 Q N 0.101 119.900 119.800 -0.002 0.000 2.204 497 Q HA -0.051 4.289 4.340 0.001 0.000 0.198 497 Q C 2.122 178.095 176.000 -0.044 0.000 0.946 497 Q CA 0.556 56.344 55.803 -0.026 0.000 0.859 497 Q CB -0.100 28.620 28.738 -0.030 0.000 0.946 497 Q HN 0.389 nan 8.270 nan 0.000 0.474 498 K N 0.787 121.157 120.400 -0.051 0.000 2.209 498 K HA -0.125 4.196 4.320 0.001 0.000 0.204 498 K C 1.318 177.891 176.600 -0.046 0.000 1.048 498 K CA 0.898 57.158 56.287 -0.044 0.000 0.940 498 K CB 0.386 32.861 32.500 -0.041 0.000 0.729 498 K HN 0.107 nan 8.250 nan 0.000 0.451 499 E N -0.869 119.287 120.200 -0.074 0.000 2.415 499 E HA 0.026 4.377 4.350 0.001 0.000 0.197 499 E C 0.373 176.902 176.600 -0.118 0.000 1.007 499 E CA 0.575 56.915 56.400 -0.100 0.000 0.890 499 E CB 0.741 30.323 29.700 -0.196 0.000 0.891 499 E HN 0.433 nan 8.360 nan 0.000 0.496 500 G N 2.300 111.031 108.800 -0.114 0.000 2.473 500 G HA2 -0.231 3.730 3.960 0.001 0.000 0.289 500 G HA3 -0.231 3.730 3.960 0.001 0.000 0.289 500 G C 0.541 175.358 174.900 -0.137 0.000 1.084 500 G CA 0.328 45.372 45.100 -0.093 0.000 1.215 500 G HN 0.205 nan 8.290 nan 0.000 0.527 501 L N -0.133 120.981 121.223 -0.182 0.000 2.349 501 L HA 0.578 4.919 4.340 0.001 0.000 0.200 501 L C 1.686 178.479 176.870 -0.128 0.000 1.064 501 L CA 0.920 55.607 54.840 -0.256 0.000 0.821 501 L CB -0.121 41.642 42.059 -0.493 0.000 1.027 501 L HN 1.112 nan 8.230 nan 0.000 0.476 502 G N -0.564 108.201 108.800 -0.059 0.000 2.351 502 G HA2 0.062 4.023 3.960 0.001 0.000 0.279 502 G HA3 0.062 4.023 3.960 0.001 0.000 0.279 502 G C 0.001 174.915 174.900 0.024 0.000 1.297 502 G CA -0.125 44.970 45.100 -0.009 0.000 0.886 502 G HN -0.165 nan 8.290 nan 0.000 0.493 503 V N -0.628 119.305 119.914 0.031 0.000 2.591 503 V HA 0.124 4.245 4.120 0.001 0.000 0.249 503 V C 1.227 177.356 176.094 0.058 0.000 1.053 503 V CA 1.320 63.643 62.300 0.038 0.000 1.068 503 V CB -1.406 30.433 31.823 0.027 0.000 0.689 503 V HN 1.278 nan 8.190 nan 0.000 0.462 504 N N 1.738 120.479 118.700 0.069 0.000 1.982 504 N HA -0.271 4.470 4.740 0.001 0.000 0.354 504 N C -0.116 175.426 175.510 0.053 0.000 1.170 504 N CA 0.859 53.950 53.050 0.068 0.000 0.800 504 N CB -0.237 38.346 38.487 0.159 0.000 1.027 504 N HN 0.839 nan 8.380 nan 0.000 0.549 505 E N 1.160 121.374 120.200 0.024 0.000 2.319 505 E HA 0.382 4.733 4.350 0.001 0.000 0.268 505 E C -0.235 176.371 176.600 0.011 0.000 1.050 505 E CA -0.948 55.471 56.400 0.031 0.000 0.878 505 E CB 1.447 31.167 29.700 0.033 0.000 1.066 505 E HN 0.503 nan 8.360 nan 0.000 0.406 506 V N 2.521 122.457 119.914 0.036 0.000 2.540 506 V HA 0.351 4.471 4.120 0.001 0.000 0.302 506 V C -0.624 175.531 176.094 0.101 0.000 1.035 506 V CA -0.748 61.575 62.300 0.038 0.000 0.873 506 V CB 1.562 33.406 31.823 0.035 0.000 0.992 506 V HN 0.786 nan 8.190 nan 0.000 0.428 507 H N 4.999 124.084 119.070 0.025 0.000 2.652 507 H HA 0.342 4.898 4.556 0.001 0.000 0.349 507 H C -1.762 173.654 175.328 0.147 0.000 1.099 507 H CA 0.126 56.212 56.048 0.064 0.000 1.417 507 H CB 1.085 30.864 29.762 0.028 0.000 1.457 507 H HN 0.934 nan 8.280 nan 0.000 0.568 508 Y N 5.293 125.252 120.300 -0.568 0.000 2.294 508 Y HA 0.146 4.697 4.550 0.001 0.000 0.329 508 Y C -1.422 174.243 175.900 -0.392 0.000 1.135 508 Y CA -0.811 57.086 58.100 -0.338 0.000 1.213 508 Y CB 0.722 39.072 38.460 -0.184 0.000 1.141 508 Y HN 0.455 nan 8.280 nan 0.000 0.446 509 V N 6.385 126.060 119.914 -0.397 0.000 2.400 509 V HA 0.064 4.185 4.120 0.001 0.000 0.263 509 V C -0.130 175.623 176.094 -0.569 0.000 1.026 509 V CA 0.480 62.553 62.300 -0.379 0.000 1.077 509 V CB 0.088 31.844 31.823 -0.112 0.000 1.054 509 V HN 0.783 nan 8.190 nan 0.000 0.477 510 D N 4.987 124.941 120.400 -0.744 0.000 2.341 510 D HA 0.113 4.753 4.640 0.001 0.000 0.245 510 D C 0.947 177.117 176.300 -0.216 0.000 1.106 510 D CA -0.104 53.493 54.000 -0.672 0.000 0.905 510 D CB 1.014 41.495 40.800 -0.531 0.000 1.202 510 D HN 0.747 nan 8.370 nan 0.000 0.426 511 N N 2.635 121.289 118.700 -0.076 0.000 2.251 511 N HA -0.077 4.664 4.740 0.001 0.000 0.217 511 N C 0.953 176.518 175.510 0.092 0.000 1.124 511 N CA -0.067 53.018 53.050 0.058 0.000 0.843 511 N CB 0.365 38.924 38.487 0.120 0.000 1.024 511 N HN 0.327 nan 8.380 nan 0.000 0.501 512 Q N 1.828 121.661 119.800 0.056 0.000 2.170 512 Q HA -0.159 4.182 4.340 0.001 0.000 0.203 512 Q C 1.240 177.308 176.000 0.113 0.000 0.976 512 Q CA 1.897 57.752 55.803 0.086 0.000 0.858 512 Q CB -0.238 28.535 28.738 0.058 0.000 0.907 512 Q HN 0.520 nan 8.270 nan 0.000 0.433 513 D N -1.047 119.420 120.400 0.112 0.000 2.219 513 D HA -0.158 4.483 4.640 0.001 0.000 0.205 513 D C 1.789 178.241 176.300 0.253 0.000 0.970 513 D CA 1.025 55.124 54.000 0.164 0.000 0.851 513 D CB -0.964 39.903 40.800 0.113 0.000 0.943 513 D HN 0.362 nan 8.370 nan 0.000 0.488 514 C N 0.233 119.654 119.300 0.201 0.000 2.500 514 C HA 0.126 4.586 4.460 0.001 0.000 0.279 514 C C 2.888 177.955 174.990 0.129 0.000 1.288 514 C CA 0.018 59.126 59.018 0.151 0.000 1.710 514 C CB -1.245 26.585 27.740 0.150 0.000 2.052 514 C HN 0.294 nan 8.230 nan 0.000 0.488 515 I N 0.976 121.650 120.570 0.173 0.000 2.361 515 I HA -0.157 4.014 4.170 0.001 0.000 0.251 515 I C 2.000 178.214 176.117 0.161 0.000 1.133 515 I CA 1.539 62.963 61.300 0.207 0.000 1.413 515 I CB -0.473 37.661 38.000 0.223 0.000 1.073 515 I HN 0.372 nan 8.210 nan 0.000 0.424 516 D N 0.471 120.958 120.400 0.145 0.000 2.183 516 D HA -0.131 4.510 4.640 0.001 0.000 0.203 516 D C 2.043 178.402 176.300 0.099 0.000 0.969 516 D CA 0.882 54.965 54.000 0.138 0.000 0.842 516 D CB -0.119 40.779 40.800 0.162 0.000 0.957 516 D HN 0.183 nan 8.370 nan 0.000 0.484 517 L N 0.620 121.859 121.223 0.026 0.000 2.079 517 L HA -0.122 4.219 4.340 0.001 0.000 0.210 517 L C 1.905 178.669 176.870 -0.176 0.000 1.081 517 L CA 1.462 56.167 54.840 -0.225 0.000 0.752 517 L CB -0.226 41.566 42.059 -0.446 0.000 0.896 517 L HN -0.016 nan 8.230 nan 0.000 0.433 518 I N -0.945 119.579 120.570 -0.078 0.000 2.556 518 I HA -0.083 4.088 4.170 0.001 0.000 0.251 518 I C 1.756 177.833 176.117 -0.065 0.000 1.105 518 I CA 1.044 62.295 61.300 -0.082 0.000 1.436 518 I CB -0.091 37.755 38.000 -0.257 0.000 1.139 518 I HN 0.325 nan 8.210 nan 0.000 0.438 519 E N 1.297 121.489 120.200 -0.013 0.000 2.603 519 E HA 0.396 4.747 4.350 0.001 0.000 0.211 519 E C 0.477 177.140 176.600 0.106 0.000 0.995 519 E CA -0.371 56.059 56.400 0.049 0.000 0.990 519 E CB 0.297 30.094 29.700 0.161 0.000 1.036 519 E HN 0.213 nan 8.360 nan 0.000 0.475 520 A N 1.585 124.467 122.820 0.104 0.000 2.445 520 A HA 0.271 4.592 4.320 0.001 0.000 0.242 520 A C 0.024 177.670 177.584 0.104 0.000 1.075 520 A CA -0.376 51.728 52.037 0.112 0.000 0.777 520 A CB 0.227 19.303 19.000 0.126 0.000 1.013 520 A HN 0.288 nan 8.150 nan 0.000 0.493 521 R N 0.762 121.319 120.500 0.095 0.000 2.401 521 R HA 0.373 4.713 4.340 0.001 0.000 0.299 521 R C 0.412 176.758 176.300 0.077 0.000 1.064 521 R CA 0.180 56.330 56.100 0.085 0.000 1.000 521 R CB 0.132 30.478 30.300 0.076 0.000 0.973 521 R HN 0.852 nan 8.270 nan 0.000 0.438 522 L N 2.276 123.545 121.223 0.076 0.000 3.704 522 L HA -0.353 3.988 4.340 0.001 0.000 0.396 522 L C 0.949 177.855 176.870 0.060 0.000 0.713 522 L CA 1.532 56.410 54.840 0.064 0.000 2.823 522 L CB -0.747 41.343 42.059 0.051 0.000 0.891 522 L HN 0.611 nan 8.230 nan 0.000 0.687 523 V N -3.909 116.046 119.914 0.069 0.000 3.502 523 V HA 0.620 4.741 4.120 0.001 0.000 0.288 523 V C 1.233 177.420 176.094 0.156 0.000 1.461 523 V CA 0.365 62.697 62.300 0.054 0.000 1.029 523 V CB 0.205 32.030 31.823 0.003 0.000 0.843 523 V HN 0.346 nan 8.190 nan 0.000 0.438 524 G N 0.216 109.110 108.800 0.158 0.000 2.572 524 G HA2 0.444 4.404 3.960 0.001 0.000 0.261 524 G HA3 0.444 4.404 3.960 0.001 0.000 0.261 524 G C 0.654 175.635 174.900 0.135 0.000 1.197 524 G CA -0.295 44.895 45.100 0.150 0.000 0.870 524 G HN 0.211 nan 8.290 nan 0.000 0.548 525 I N 0.001 120.619 120.570 0.080 0.000 2.335 525 I HA -0.169 4.001 4.170 0.001 0.000 0.251 525 I C 2.578 178.840 176.117 0.241 0.000 1.129 525 I CA 0.752 62.135 61.300 0.137 0.000 1.402 525 I CB -0.156 37.880 38.000 0.059 0.000 1.069 525 I HN 0.381 nan 8.210 nan 0.000 0.424 526 L N 0.099 121.428 121.223 0.175 0.000 2.046 526 L HA -0.218 4.122 4.340 0.001 0.000 0.208 526 L C 1.868 178.819 176.870 0.135 0.000 1.077 526 L CA 1.349 56.283 54.840 0.158 0.000 0.747 526 L CB -0.539 41.596 42.059 0.126 0.000 0.896 526 L HN 0.263 nan 8.230 nan 0.000 0.432 527 D N -0.373 120.105 120.400 0.130 0.000 2.289 527 D HA 0.001 4.641 4.640 0.001 0.000 0.207 527 D C 2.207 178.584 176.300 0.128 0.000 0.966 527 D CA 0.680 54.748 54.000 0.113 0.000 0.868 527 D CB 0.239 41.099 40.800 0.099 0.000 0.943 527 D HN 0.283 nan 8.370 nan 0.000 0.514 528 I N 0.263 120.937 120.570 0.175 0.000 2.439 528 I HA -0.178 3.993 4.170 0.001 0.000 0.251 528 I C 2.033 178.333 176.117 0.305 0.000 1.139 528 I CA 0.397 61.832 61.300 0.225 0.000 1.438 528 I CB 0.143 38.280 38.000 0.229 0.000 1.085 528 I HN 0.002 nan 8.210 nan 0.000 0.427 529 L N 0.546 121.915 121.223 0.244 0.000 2.179 529 L HA -0.110 4.230 4.340 0.001 0.000 0.208 529 L C 1.593 178.446 176.870 -0.029 0.000 1.096 529 L CA 1.903 56.722 54.840 -0.034 0.000 0.779 529 L CB -0.569 41.329 42.059 -0.268 0.000 0.922 529 L HN 0.087 nan 8.230 nan 0.000 0.443 530 D N -0.852 119.568 120.400 0.033 0.000 2.224 530 D HA -0.155 4.485 4.640 0.001 0.000 0.205 530 D C 2.020 178.343 176.300 0.038 0.000 0.965 530 D CA 0.827 54.843 54.000 0.025 0.000 0.852 530 D CB 0.206 41.035 40.800 0.048 0.000 0.947 530 D HN 0.397 nan 8.370 nan 0.000 0.494 531 E N 0.693 120.935 120.200 0.071 0.000 2.152 531 E HA -0.169 4.182 4.350 0.001 0.000 0.192 531 E C 1.685 178.322 176.600 0.062 0.000 0.983 531 E CA 0.929 57.373 56.400 0.073 0.000 0.818 531 E CB 0.019 29.779 29.700 0.101 0.000 0.758 531 E HN 0.044 nan 8.360 nan 0.000 0.467 532 E N 0.262 120.510 120.200 0.081 0.000 2.208 532 E HA -0.115 4.235 4.350 0.001 0.000 0.193 532 E C 1.364 177.963 176.600 -0.001 0.000 0.988 532 E CA 1.013 57.449 56.400 0.060 0.000 0.828 532 E CB -0.386 29.384 29.700 0.118 0.000 0.763 532 E HN 0.265 nan 8.360 nan 0.000 0.478 533 N N -0.210 118.484 118.700 -0.011 0.000 2.609 533 N HA -0.049 4.692 4.740 0.001 0.000 0.190 533 N C 0.836 176.336 175.510 -0.018 0.000 1.157 533 N CA 0.577 53.612 53.050 -0.025 0.000 0.918 533 N CB 0.156 38.625 38.487 -0.030 0.000 0.978 533 N HN 0.077 nan 8.380 nan 0.000 0.448 534 R N -1.011 119.481 120.500 -0.013 0.000 2.419 534 R HA 0.224 4.565 4.340 0.001 0.000 0.235 534 R C -0.037 176.248 176.300 -0.025 0.000 0.899 534 R CA -0.182 55.911 56.100 -0.012 0.000 1.048 534 R CB 0.605 30.906 30.300 0.001 0.000 1.182 534 R HN 0.173 nan 8.270 nan 0.000 0.544 535 L N 2.637 123.833 121.223 -0.045 0.000 2.453 535 L HA 0.172 4.513 4.340 0.001 0.000 0.261 535 L C -1.121 175.713 176.870 -0.059 0.000 1.179 535 L CA -1.609 53.187 54.840 -0.074 0.000 0.813 535 L CB 0.287 42.255 42.059 -0.150 0.000 1.110 535 L HN -0.186 nan 8.230 nan 0.000 0.466 536 P HA -0.094 nan 4.420 nan 0.000 0.221 536 P C 0.012 177.289 177.300 -0.039 0.000 1.150 536 P CA 1.128 64.205 63.100 -0.039 0.000 0.800 536 P CB 0.350 32.030 31.700 -0.033 0.000 0.787 537 Q N 0.272 120.041 119.800 -0.052 0.000 2.798 537 Q HA 0.301 4.642 4.340 0.001 0.000 0.250 537 Q C -2.515 173.456 176.000 -0.049 0.000 1.006 537 Q CA -1.973 53.806 55.803 -0.040 0.000 0.759 537 Q CB 1.106 29.826 28.738 -0.029 0.000 1.201 537 Q HN 0.134 nan 8.270 nan 0.000 0.486 538 P HA -0.025 nan 4.420 nan 0.000 0.261 538 P C -0.600 176.703 177.300 0.004 0.000 1.203 538 P CA 0.399 63.482 63.100 -0.028 0.000 0.767 538 P CB 1.036 32.719 31.700 -0.027 0.000 0.785 539 S N 1.796 117.521 115.700 0.042 0.000 2.566 539 S HA 0.259 4.730 4.470 0.001 0.000 0.298 539 S C 0.791 175.475 174.600 0.139 0.000 1.083 539 S CA -0.695 57.555 58.200 0.082 0.000 0.978 539 S CB 0.936 64.199 63.200 0.105 0.000 1.073 539 S HN 0.259 nan 8.310 nan 0.000 0.491 540 D N 2.123 122.596 120.400 0.122 0.000 2.224 540 D HA -0.033 4.608 4.640 0.001 0.000 0.205 540 D C 1.487 177.908 176.300 0.202 0.000 0.965 540 D CA 1.130 55.235 54.000 0.176 0.000 0.852 540 D CB 0.143 41.010 40.800 0.110 0.000 0.947 540 D HN 0.522 nan 8.370 nan 0.000 0.494 541 Q N -0.428 119.453 119.800 0.134 0.000 2.123 541 Q HA -0.110 4.231 4.340 0.001 0.000 0.199 541 Q C 2.053 178.111 176.000 0.097 0.000 0.966 541 Q CA 0.811 56.669 55.803 0.091 0.000 0.845 541 Q CB -0.154 28.623 28.738 0.066 0.000 0.907 541 Q HN 0.403 nan 8.270 nan 0.000 0.439 542 H N -0.673 118.440 119.070 0.071 0.000 2.353 542 H HA -0.157 4.399 4.556 0.001 0.000 0.300 542 H C 1.816 177.192 175.328 0.079 0.000 1.090 542 H CA 1.623 57.709 56.048 0.065 0.000 1.327 542 H CB -0.122 29.681 29.762 0.070 0.000 1.383 542 H HN 0.357 nan 8.280 nan 0.000 0.508 543 F N 1.540 121.581 119.950 0.151 0.000 2.134 543 F HA -0.177 4.351 4.527 0.001 0.000 0.299 543 F C 2.241 178.053 175.800 0.020 0.000 1.097 543 F CA 2.038 60.094 58.000 0.093 0.000 1.264 543 F CB -0.717 38.329 39.000 0.077 0.000 1.001 543 F HN -0.000 nan 8.300 nan 0.000 0.479 544 T N -0.396 113.920 114.554 -0.396 0.000 2.857 544 T HA -0.117 4.233 4.350 0.001 0.000 0.266 544 T C 2.136 176.668 174.700 -0.280 0.000 1.048 544 T CA 1.483 63.286 62.100 -0.495 0.000 1.139 544 T CB -0.465 68.301 68.868 -0.171 0.000 0.874 544 T HN 0.279 nan 8.240 nan 0.000 0.455 545 S N 1.615 117.223 115.700 -0.154 0.000 2.382 545 S HA 0.007 4.478 4.470 0.001 0.000 0.228 545 S C 2.588 177.097 174.600 -0.152 0.000 1.027 545 S CA 0.851 58.995 58.200 -0.093 0.000 0.991 545 S CB -0.506 62.613 63.200 -0.135 0.000 0.823 545 S HN 0.589 nan 8.310 nan 0.000 0.469 546 A N 1.080 123.752 122.820 -0.246 0.000 1.933 546 A HA -0.038 4.282 4.320 0.001 0.000 0.218 546 A C 2.320 179.798 177.584 -0.177 0.000 1.175 546 A CA 1.344 53.266 52.037 -0.193 0.000 0.628 546 A CB -0.821 18.107 19.000 -0.119 0.000 0.814 546 A HN 0.343 nan 8.150 nan 0.000 0.444 547 V N -0.414 119.309 119.914 -0.318 0.000 2.307 547 V HA -0.222 3.898 4.120 0.001 0.000 0.245 547 V C 2.421 178.402 176.094 -0.188 0.000 1.045 547 V CA 2.028 64.124 62.300 -0.339 0.000 1.024 547 V CB -0.935 30.436 31.823 -0.755 0.000 0.651 547 V HN 0.651 nan 8.190 nan 0.000 0.449 548 H N -0.741 118.264 119.070 -0.108 0.000 2.457 548 H HA -0.128 4.428 4.556 0.001 0.000 0.294 548 H C 2.297 177.609 175.328 -0.026 0.000 1.064 548 H CA 1.836 57.854 56.048 -0.049 0.000 1.330 548 H CB 0.092 29.822 29.762 -0.054 0.000 1.395 548 H HN 0.469 nan 8.280 nan 0.000 0.541 549 Q N 0.872 120.699 119.800 0.044 0.000 2.096 549 Q HA -0.058 4.283 4.340 0.001 0.000 0.197 549 Q C 1.874 177.842 176.000 -0.054 0.000 0.964 549 Q CA 1.028 56.829 55.803 -0.004 0.000 0.838 549 Q CB 0.333 29.050 28.738 -0.037 0.000 0.906 549 Q HN 0.016 nan 8.270 nan 0.000 0.444 550 K N -0.619 119.700 120.400 -0.135 0.000 2.365 550 K HA -0.029 4.292 4.320 0.001 0.000 0.199 550 K C -0.394 175.892 176.600 -0.524 0.000 1.045 550 K CA 0.686 56.780 56.287 -0.322 0.000 0.962 550 K CB 0.212 32.460 32.500 -0.419 0.000 0.759 550 K HN 0.298 nan 8.250 nan 0.000 0.469 551 H N -1.099 117.969 119.070 -0.004 0.000 2.675 551 H HA 0.193 4.750 4.556 0.001 0.000 0.258 551 H C 0.438 175.815 175.328 0.082 0.000 1.271 551 H CA -0.575 55.507 56.048 0.057 0.000 1.462 551 H CB 1.449 31.204 29.762 -0.011 0.000 1.467 551 H HN -0.103 nan 8.280 nan 0.000 0.501 552 K N 1.528 122.009 120.400 0.135 0.000 1.965 552 K HA -0.031 4.290 4.320 0.001 0.000 0.214 552 K C 0.017 176.694 176.600 0.129 0.000 1.042 552 K CA 1.238 57.587 56.287 0.104 0.000 0.950 552 K CB 0.377 32.911 32.500 0.057 0.000 0.733 552 K HN 0.425 nan 8.250 nan 0.000 0.441 553 D N 0.954 121.429 120.400 0.125 0.000 2.736 553 D HA 0.027 4.668 4.640 0.001 0.000 0.293 553 D C -0.899 175.499 176.300 0.164 0.000 1.241 553 D CA -0.138 53.937 54.000 0.125 0.000 0.965 553 D CB 0.209 41.057 40.800 0.081 0.000 0.992 553 D HN 0.337 nan 8.370 nan 0.000 0.510 554 H N 0.688 119.832 119.070 0.123 0.000 2.525 554 H HA 0.028 4.585 4.556 0.001 0.000 0.339 554 H C 0.367 175.789 175.328 0.157 0.000 1.109 554 H CA -0.141 55.990 56.048 0.138 0.000 1.352 554 H CB 1.139 30.969 29.762 0.113 0.000 1.461 554 H HN 0.222 nan 8.280 nan 0.000 0.533 555 F N 4.269 124.260 119.950 0.069 0.000 2.259 555 F HA -0.086 4.442 4.527 0.001 0.000 0.298 555 F C 1.715 177.626 175.800 0.186 0.000 1.088 555 F CA 0.692 58.747 58.000 0.093 0.000 1.358 555 F CB 0.367 39.365 39.000 -0.004 0.000 1.040 555 F HN 0.364 nan 8.300 nan 0.000 0.505 556 R N 0.112 120.760 120.500 0.246 0.000 2.280 556 R HA 0.191 4.532 4.340 0.001 0.000 0.195 556 R C -0.333 175.887 176.300 -0.133 0.000 0.935 556 R CA 0.090 56.147 56.100 -0.073 0.000 1.033 556 R CB -0.386 29.922 30.300 0.012 0.000 0.964 556 R HN 0.228 nan 8.270 nan 0.000 0.489 557 L N 0.949 122.124 121.223 -0.080 0.000 2.322 557 L HA 0.388 4.728 4.340 0.001 0.000 0.281 557 L C -0.350 176.540 176.870 0.033 0.000 1.014 557 L CA -0.252 54.524 54.840 -0.107 0.000 0.815 557 L CB 1.801 43.709 42.059 -0.252 0.000 1.247 557 L HN 0.062 nan 8.230 nan 0.000 0.421 558 S N 4.751 120.501 115.700 0.083 0.000 2.579 558 S HA 0.691 5.161 4.470 0.001 0.000 0.272 558 S C -0.372 174.329 174.600 0.168 0.000 1.141 558 S CA -0.918 57.343 58.200 0.102 0.000 0.843 558 S CB 0.938 64.162 63.200 0.040 0.000 1.122 558 S HN 0.720 nan 8.310 nan 0.000 0.468 559 I N -0.446 120.151 120.570 0.045 0.000 2.779 559 I HA 0.436 4.606 4.170 0.001 0.000 0.285 559 I C -1.925 174.215 176.117 0.039 0.000 1.134 559 I CA -2.046 59.238 61.300 -0.026 0.000 1.398 559 I CB 0.095 37.972 38.000 -0.206 0.000 1.404 559 I HN 0.360 nan 8.210 nan 0.000 0.587 560 P HA -0.172 nan 4.420 nan 0.000 0.216 560 P C 1.511 178.842 177.300 0.052 0.000 1.150 560 P CA 1.468 64.590 63.100 0.036 0.000 0.843 560 P CB -0.042 31.663 31.700 0.008 0.000 0.787 561 R N -0.132 120.383 120.500 0.025 0.000 2.152 561 R HA -0.070 4.271 4.340 0.001 0.000 0.232 561 R C 1.646 177.966 176.300 0.033 0.000 1.117 561 R CA 0.953 57.069 56.100 0.027 0.000 0.981 561 R CB -0.243 30.058 30.300 0.001 0.000 0.870 561 R HN 0.074 nan 8.270 nan 0.000 0.451 562 K N 0.812 121.229 120.400 0.029 0.000 2.745 562 K HA 0.033 4.354 4.320 0.001 0.000 0.223 562 K C -0.533 176.094 176.600 0.045 0.000 1.057 562 K CA -0.141 56.164 56.287 0.030 0.000 1.217 562 K CB 0.246 32.758 32.500 0.020 0.000 0.993 562 K HN -0.041 nan 8.250 nan 0.000 0.478 563 S N 0.065 115.807 115.700 0.070 0.000 2.562 563 S HA 0.170 4.641 4.470 0.001 0.000 0.275 563 S C 0.835 175.475 174.600 0.067 0.000 1.281 563 S CA -0.497 57.762 58.200 0.099 0.000 1.045 563 S CB 1.363 64.691 63.200 0.214 0.000 0.962 563 S HN 0.298 nan 8.310 nan 0.000 0.503 564 K N 2.523 122.957 120.400 0.056 0.000 2.217 564 K HA 0.134 4.454 4.320 0.001 0.000 0.202 564 K C 0.346 176.959 176.600 0.021 0.000 1.051 564 K CA 0.615 56.923 56.287 0.036 0.000 0.952 564 K CB -0.221 32.299 32.500 0.034 0.000 0.736 564 K HN 0.594 nan 8.250 nan 0.000 0.453 565 L N -0.334 120.896 121.223 0.012 0.000 2.472 565 L HA 0.063 4.404 4.340 0.001 0.000 0.260 565 L C 1.137 177.954 176.870 -0.088 0.000 1.209 565 L CA -0.259 54.543 54.840 -0.062 0.000 0.817 565 L CB 0.673 42.633 42.059 -0.165 0.000 1.106 565 L HN 0.024 nan 8.230 nan 0.000 0.479 566 A N 1.263 124.020 122.820 -0.106 0.000 2.348 566 A HA 0.274 4.594 4.320 0.001 0.000 0.224 566 A C 1.621 179.141 177.584 -0.106 0.000 1.227 566 A CA -0.049 51.944 52.037 -0.074 0.000 0.885 566 A CB -0.283 18.695 19.000 -0.038 0.000 0.933 566 A HN 0.735 nan 8.150 nan 0.000 0.506 567 I N -0.531 119.898 120.570 -0.235 0.000 2.928 567 I HA -0.071 4.100 4.170 0.001 0.000 0.266 567 I C 1.001 177.057 176.117 -0.101 0.000 1.234 567 I CA 0.626 61.812 61.300 -0.191 0.000 1.483 567 I CB -0.193 37.683 38.000 -0.206 0.000 1.097 567 I HN 0.292 nan 8.210 nan 0.000 0.455 568 H N 0.547 119.640 119.070 0.039 0.000 2.507 568 H HA 0.287 4.843 4.556 0.001 0.000 0.294 568 H C 1.554 176.889 175.328 0.011 0.000 1.064 568 H CA -0.105 55.956 56.048 0.021 0.000 1.138 568 H CB -0.075 29.701 29.762 0.022 0.000 1.515 568 H HN 0.217 nan 8.280 nan 0.000 0.547 569 R N 0.598 121.139 120.500 0.068 0.000 2.189 569 R HA 0.029 4.369 4.340 0.001 0.000 0.218 569 R C 0.566 176.887 176.300 0.035 0.000 1.074 569 R CA 0.403 56.528 56.100 0.042 0.000 0.991 569 R CB 0.383 30.693 30.300 0.016 0.000 0.883 569 R HN 0.253 nan 8.270 nan 0.000 0.457 570 N N 0.310 119.032 118.700 0.037 0.000 2.214 570 N HA 0.136 4.876 4.740 0.001 0.000 0.214 570 N C -0.229 175.291 175.510 0.017 0.000 1.132 570 N CA 0.034 53.097 53.050 0.022 0.000 0.856 570 N CB 0.859 39.356 38.487 0.016 0.000 1.020 570 N HN 0.092 nan 8.380 nan 0.000 0.509 571 I N 2.081 122.667 120.570 0.028 0.000 2.396 571 I HA 0.085 4.256 4.170 0.001 0.000 0.289 571 I C 0.943 177.058 176.117 -0.003 0.000 1.056 571 I CA -0.246 61.057 61.300 0.005 0.000 1.365 571 I CB 0.633 38.633 38.000 -0.000 0.000 1.407 571 I HN -0.215 nan 8.210 nan 0.000 0.509 572 R N 3.916 124.408 120.500 -0.012 0.000 2.863 572 R HA -0.001 4.340 4.340 0.001 0.000 0.273 572 R C 0.500 176.787 176.300 -0.021 0.000 1.057 572 R CA -0.415 55.675 56.100 -0.016 0.000 1.191 572 R CB 0.394 30.686 30.300 -0.014 0.000 1.104 572 R HN 0.534 nan 8.270 nan 0.000 0.519 573 D N 0.592 120.969 120.400 -0.038 0.000 2.178 573 D HA -0.138 4.502 4.640 0.001 0.000 0.202 573 D C 0.854 177.167 176.300 0.021 0.000 0.974 573 D CA 1.369 55.327 54.000 -0.069 0.000 0.841 573 D CB -0.100 40.619 40.800 -0.136 0.000 0.953 573 D HN 0.555 nan 8.370 nan 0.000 0.478 574 D N -0.357 120.052 120.400 0.016 0.000 2.342 574 D HA -0.019 4.621 4.640 0.001 0.000 0.221 574 D C 0.694 176.992 176.300 -0.003 0.000 1.101 574 D CA 0.145 54.161 54.000 0.027 0.000 0.837 574 D CB -0.301 40.504 40.800 0.009 0.000 0.938 574 D HN 0.158 nan 8.370 nan 0.000 0.508 575 E N -0.262 119.927 120.200 -0.018 0.000 2.538 575 E HA 0.411 4.761 4.350 0.001 0.000 0.207 575 E C 0.403 176.933 176.600 -0.117 0.000 1.002 575 E CA -0.270 56.097 56.400 -0.055 0.000 0.952 575 E CB 1.063 30.738 29.700 -0.041 0.000 1.031 575 E HN 0.347 nan 8.360 nan 0.000 0.476 576 G N 1.138 109.871 108.800 -0.112 0.000 2.349 576 G HA2 0.422 4.383 3.960 0.001 0.000 0.294 576 G HA3 0.422 4.383 3.960 0.001 0.000 0.294 576 G C -1.727 173.141 174.900 -0.054 0.000 1.380 576 G CA -0.938 44.016 45.100 -0.244 0.000 0.811 576 G HN 0.112 nan 8.290 nan 0.000 0.519 577 F N -1.629 118.331 119.950 0.017 0.000 2.678 577 F HA 0.802 5.329 4.527 0.001 0.000 0.308 577 F C -1.082 174.784 175.800 0.110 0.000 1.118 577 F CA -1.572 56.469 58.000 0.069 0.000 0.959 577 F CB 1.408 40.330 39.000 -0.131 0.000 1.305 577 F HN 0.449 nan 8.300 nan 0.000 0.443 578 I N 3.973 124.761 120.570 0.362 0.000 2.377 578 I HA 0.409 4.579 4.170 0.001 0.000 0.293 578 I C -0.576 175.672 176.117 0.219 0.000 0.987 578 I CA -0.901 60.537 61.300 0.231 0.000 1.185 578 I CB 1.639 39.694 38.000 0.091 0.000 1.341 578 I HN 0.435 nan 8.210 nan 0.000 0.455 579 I N 5.804 126.498 120.570 0.208 0.000 2.441 579 I HA 0.353 4.523 4.170 0.001 0.000 0.295 579 I C 0.213 176.212 176.117 -0.196 0.000 0.994 579 I CA -0.701 60.571 61.300 -0.046 0.000 1.144 579 I CB 1.736 39.652 38.000 -0.139 0.000 1.314 579 I HN 0.512 nan 8.210 nan 0.000 0.445 580 R N 5.157 125.516 120.500 -0.236 0.000 2.825 580 R HA 0.284 4.625 4.340 0.001 0.000 0.261 580 R C -0.369 175.841 176.300 -0.149 0.000 1.341 580 R CA -0.454 55.528 56.100 -0.196 0.000 1.353 580 R CB -0.168 29.962 30.300 -0.282 0.000 1.191 580 R HN 0.574 nan 8.270 nan 0.000 0.590 581 H N 0.710 119.772 119.070 -0.014 0.000 2.603 581 H HA -0.025 4.532 4.556 0.001 0.000 0.370 581 H C 1.452 176.683 175.328 -0.162 0.000 1.225 581 H CA -0.281 55.745 56.048 -0.037 0.000 1.410 581 H CB 0.530 30.255 29.762 -0.061 0.000 1.495 581 H HN 0.456 nan 8.280 nan 0.000 0.602 582 F N 0.063 120.049 119.950 0.061 0.000 2.147 582 F HA -0.249 4.279 4.527 0.001 0.000 0.301 582 F C 1.996 177.729 175.800 -0.112 0.000 1.084 582 F CA 1.324 59.311 58.000 -0.021 0.000 1.268 582 F CB -0.779 38.213 39.000 -0.014 0.000 1.009 582 F HN 0.403 nan 8.300 nan 0.000 0.486 583 A N 0.034 122.123 122.820 -1.218 0.000 2.030 583 A HA 0.598 4.919 4.320 0.001 0.000 0.215 583 A C 1.348 178.638 177.584 -0.491 0.000 1.164 583 A CA 0.742 52.208 52.037 -0.952 0.000 0.697 583 A CB -0.786 17.184 19.000 -1.717 0.000 0.827 583 A HN 0.894 nan 8.150 nan 0.000 0.457 584 G N -2.615 105.939 108.800 -0.410 0.000 2.316 584 G HA2 0.559 4.520 3.960 0.001 0.000 0.296 584 G HA3 0.559 4.520 3.960 0.001 0.000 0.296 584 G C -0.702 174.125 174.900 -0.121 0.000 1.399 584 G CA -0.232 44.744 45.100 -0.206 0.000 0.833 584 G HN 0.997 nan 8.290 nan 0.000 0.565 585 A N -0.836 121.900 122.820 -0.140 0.000 2.425 585 A HA 0.650 4.971 4.320 0.001 0.000 0.249 585 A C -0.066 177.415 177.584 -0.172 0.000 1.084 585 A CA -0.160 51.815 52.037 -0.104 0.000 0.781 585 A CB 0.854 19.808 19.000 -0.077 0.000 1.019 585 A HN 1.602 nan 8.150 nan 0.000 0.490 586 V N 2.747 122.610 119.914 -0.086 0.000 2.445 586 V HA 0.138 4.259 4.120 0.001 0.000 0.283 586 V C -0.263 175.662 176.094 -0.281 0.000 1.014 586 V CA -0.669 61.504 62.300 -0.211 0.000 0.852 586 V CB 1.122 32.877 31.823 -0.112 0.000 1.021 586 V HN 1.034 nan 8.190 nan 0.000 0.435 587 C N 7.164 126.294 119.300 -0.284 0.000 2.520 587 C HA 0.438 4.899 4.460 0.001 0.000 0.369 587 C C 0.196 174.937 174.990 -0.416 0.000 1.244 587 C CA -0.367 58.445 59.018 -0.344 0.000 1.677 587 C CB -1.485 25.856 27.740 -0.665 0.000 2.324 587 C HN 0.674 nan 8.230 nan 0.000 0.557 588 Y N 3.436 123.666 120.300 -0.117 0.000 2.304 588 Y HA 0.371 4.921 4.550 0.001 0.000 0.327 588 Y C 0.856 176.551 175.900 -0.342 0.000 1.209 588 Y CA 0.109 58.113 58.100 -0.159 0.000 1.299 588 Y CB 0.616 38.972 38.460 -0.174 0.000 1.249 588 Y HN 0.563 nan 8.280 nan 0.000 0.519 589 E N 0.534 120.696 120.200 -0.064 0.000 2.145 589 E HA 0.168 4.518 4.350 0.001 0.000 0.270 589 E C 0.070 176.535 176.600 -0.225 0.000 0.906 589 E CA -0.291 56.015 56.400 -0.157 0.000 0.761 589 E CB 1.156 30.813 29.700 -0.072 0.000 1.116 589 E HN 0.751 nan 8.360 nan 0.000 0.408 590 T N -0.891 113.391 114.554 -0.454 0.000 3.148 590 T HA -0.052 4.298 4.350 0.001 0.000 0.253 590 T C 1.134 175.752 174.700 -0.137 0.000 1.134 590 T CA -0.219 61.454 62.100 -0.712 0.000 1.051 590 T CB 0.100 68.636 68.868 -0.553 0.000 0.959 590 T HN 0.322 nan 8.240 nan 0.000 0.525 591 T N 2.212 116.758 114.554 -0.015 0.000 2.933 591 T HA 0.016 4.367 4.350 0.001 0.000 0.306 591 T C 0.679 175.473 174.700 0.157 0.000 1.045 591 T CA 0.589 62.725 62.100 0.061 0.000 1.143 591 T CB -0.178 68.708 68.868 0.030 0.000 1.003 591 T HN 0.643 nan 8.240 nan 0.000 0.540 592 Q N 1.755 121.618 119.800 0.105 0.000 2.362 592 Q HA -0.227 4.114 4.340 0.001 0.000 0.220 592 Q C 0.860 176.895 176.000 0.058 0.000 0.713 592 Q CA 1.286 57.130 55.803 0.069 0.000 1.345 592 Q CB -2.080 26.689 28.738 0.052 0.000 1.570 592 Q HN 0.860 nan 8.270 nan 0.000 0.701 593 F N -0.228 119.630 119.950 -0.153 0.000 2.216 593 F HA -0.201 4.327 4.527 0.001 0.000 0.300 593 F C 2.278 177.782 175.800 -0.495 0.000 1.085 593 F CA 1.397 59.209 58.000 -0.312 0.000 1.326 593 F CB 0.220 39.026 39.000 -0.324 0.000 1.027 593 F HN 0.021 nan 8.300 nan 0.000 0.497 594 V N -0.475 119.325 119.914 -0.190 0.000 2.379 594 V HA -0.259 3.862 4.120 0.001 0.000 0.245 594 V C 2.102 178.056 176.094 -0.233 0.000 1.044 594 V CA 1.938 64.094 62.300 -0.240 0.000 1.036 594 V CB -0.451 31.295 31.823 -0.129 0.000 0.664 594 V HN 0.282 nan 8.190 nan 0.000 0.453 595 E N 0.369 120.465 120.200 -0.174 0.000 2.110 595 E HA -0.220 4.130 4.350 0.001 0.000 0.193 595 E C 2.083 178.551 176.600 -0.219 0.000 0.988 595 E CA 1.143 57.454 56.400 -0.148 0.000 0.804 595 E CB 0.049 29.698 29.700 -0.086 0.000 0.745 595 E HN 0.492 nan 8.360 nan 0.000 0.458 596 K N 0.004 120.189 120.400 -0.359 0.000 2.418 596 K HA -0.038 4.282 4.320 0.001 0.000 0.195 596 K C 1.131 177.333 176.600 -0.663 0.000 1.035 596 K CA 0.495 56.507 56.287 -0.460 0.000 1.003 596 K CB -0.007 32.177 32.500 -0.526 0.000 0.793 596 K HN 0.025 nan 8.250 nan 0.000 0.494 597 N N 1.422 119.705 118.700 -0.696 0.000 2.313 597 N HA 0.004 4.745 4.740 0.001 0.000 0.207 597 N C -0.908 174.466 175.510 -0.226 0.000 1.141 597 N CA 0.012 52.745 53.050 -0.529 0.000 0.830 597 N CB 0.229 38.393 38.487 -0.539 0.000 1.008 597 N HN 0.073 nan 8.380 nan 0.000 0.481 598 N N 0.509 119.108 118.700 -0.169 0.000 2.352 598 N HA 0.139 4.880 4.740 0.001 0.000 0.291 598 N C -1.497 173.994 175.510 -0.032 0.000 1.040 598 N CA -0.262 52.743 53.050 -0.074 0.000 0.864 598 N CB 1.762 40.210 38.487 -0.065 0.000 1.440 598 N HN 0.239 nan 8.380 nan 0.000 0.483 599 D N -0.200 120.205 120.400 0.009 0.000 2.914 599 D HA 0.112 4.753 4.640 0.001 0.000 0.349 599 D C -0.406 175.926 176.300 0.055 0.000 1.540 599 D CA -0.369 53.653 54.000 0.037 0.000 0.778 599 D CB -0.278 40.555 40.800 0.054 0.000 1.213 599 D HN 0.363 nan 8.370 nan 0.000 0.451 600 A N 0.714 123.561 122.820 0.046 0.000 2.409 600 A HA 0.480 4.800 4.320 0.001 0.000 0.267 600 A C -0.362 177.255 177.584 0.055 0.000 1.127 600 A CA -0.473 51.596 52.037 0.054 0.000 0.795 600 A CB 0.388 19.417 19.000 0.048 0.000 1.061 600 A HN 0.359 nan 8.150 nan 0.000 0.502 601 L N 4.507 125.756 121.223 0.044 0.000 2.276 601 L HA 0.413 4.754 4.340 0.001 0.000 0.286 601 L C 0.321 177.173 176.870 -0.030 0.000 1.024 601 L CA -0.418 54.416 54.840 -0.010 0.000 0.826 601 L CB 0.409 42.459 42.059 -0.016 0.000 1.211 601 L HN 0.840 nan 8.230 nan 0.000 0.422 602 H N 3.272 122.347 119.070 0.009 0.000 2.871 602 H HA 0.126 4.683 4.556 0.001 0.000 0.355 602 H C 0.930 176.253 175.328 -0.009 0.000 1.092 602 H CA -0.382 55.665 56.048 -0.001 0.000 1.420 602 H CB 0.610 30.366 29.762 -0.010 0.000 1.400 602 H HN 0.580 nan 8.280 nan 0.000 0.604 603 M N 2.214 121.877 119.600 0.105 0.000 2.213 603 M HA -0.169 4.312 4.480 0.001 0.000 0.263 603 M C 2.267 178.575 176.300 0.013 0.000 1.062 603 M CA 1.596 56.911 55.300 0.025 0.000 1.105 603 M CB -1.051 31.572 32.600 0.039 0.000 1.385 603 M HN 0.867 nan 8.290 nan 0.000 0.417 604 S N 0.405 116.197 115.700 0.153 0.000 2.368 604 S HA -0.134 4.336 4.470 0.001 0.000 0.225 604 S C 1.791 176.396 174.600 0.008 0.000 1.030 604 S CA 1.040 59.313 58.200 0.122 0.000 0.999 604 S CB -0.144 63.193 63.200 0.228 0.000 0.844 604 S HN 0.385 nan 8.310 nan 0.000 0.459 605 L N 1.709 122.829 121.223 -0.170 0.000 2.240 605 L HA 0.222 4.563 4.340 0.001 0.000 0.211 605 L C 2.331 179.058 176.870 -0.239 0.000 1.106 605 L CA 1.571 56.255 54.840 -0.260 0.000 0.793 605 L CB -0.813 40.931 42.059 -0.525 0.000 0.927 605 L HN 0.266 nan 8.230 nan 0.000 0.446 606 E N -0.760 119.294 120.200 -0.243 0.000 2.072 606 E HA -0.149 4.201 4.350 0.001 0.000 0.191 606 E C 2.082 178.530 176.600 -0.253 0.000 0.985 606 E CA 1.212 57.473 56.400 -0.232 0.000 0.801 606 E CB 0.134 29.741 29.700 -0.156 0.000 0.750 606 E HN 0.430 nan 8.360 nan 0.000 0.452 607 S N 0.410 116.011 115.700 -0.164 0.000 2.481 607 S HA -0.057 4.414 4.470 0.001 0.000 0.231 607 S C 1.694 176.211 174.600 -0.138 0.000 0.996 607 S CA 0.077 58.194 58.200 -0.139 0.000 0.942 607 S CB 0.035 63.191 63.200 -0.074 0.000 0.768 607 S HN 0.112 nan 8.310 nan 0.000 0.520 608 L N 0.629 121.771 121.223 -0.134 0.000 2.095 608 L HA 0.207 4.548 4.340 0.001 0.000 0.204 608 L C 1.837 178.633 176.870 -0.122 0.000 1.080 608 L CA 1.173 55.955 54.840 -0.096 0.000 0.759 608 L CB -0.331 41.691 42.059 -0.060 0.000 0.914 608 L HN 0.277 nan 8.230 nan 0.000 0.439 609 I N -1.814 118.633 120.570 -0.205 0.000 2.500 609 I HA -0.212 3.958 4.170 0.001 0.000 0.252 609 I C 2.328 178.232 176.117 -0.355 0.000 1.142 609 I CA 1.029 62.187 61.300 -0.238 0.000 1.451 609 I CB -0.225 37.614 38.000 -0.267 0.000 1.093 609 I HN 0.248 nan 8.210 nan 0.000 0.430 610 C N 0.636 119.638 119.300 -0.496 0.000 2.425 610 C HA -0.095 4.365 4.460 0.001 0.000 0.277 610 C C 1.499 176.397 174.990 -0.154 0.000 1.280 610 C CA 0.668 59.440 59.018 -0.410 0.000 1.744 610 C CB -1.232 26.302 27.740 -0.344 0.000 1.989 610 C HN 0.421 nan 8.230 nan 0.000 0.491 611 E N 0.711 120.839 120.200 -0.120 0.000 2.698 611 E HA 0.191 4.541 4.350 0.001 0.000 0.242 611 E C 0.089 176.668 176.600 -0.035 0.000 1.243 611 E CA -0.016 56.349 56.400 -0.058 0.000 1.483 611 E CB 0.280 29.950 29.700 -0.050 0.000 1.495 611 E HN 0.327 nan 8.360 nan 0.000 0.440 612 S N -0.102 115.585 115.700 -0.021 0.000 2.592 612 S HA 0.194 4.665 4.470 0.001 0.000 0.271 612 S C 1.217 175.829 174.600 0.021 0.000 1.326 612 S CA -0.424 57.782 58.200 0.010 0.000 1.024 612 S CB 0.831 64.055 63.200 0.040 0.000 0.921 612 S HN 0.256 nan 8.310 nan 0.000 0.527 613 R N 1.345 121.862 120.500 0.028 0.000 2.148 613 R HA 0.123 4.464 4.340 0.001 0.000 0.227 613 R C 0.265 176.588 176.300 0.038 0.000 1.103 613 R CA 0.804 56.921 56.100 0.028 0.000 0.983 613 R CB -0.078 30.239 30.300 0.028 0.000 0.874 613 R HN 0.577 nan 8.270 nan 0.000 0.451 614 D N 0.654 121.087 120.400 0.055 0.000 2.336 614 D HA -0.033 4.607 4.640 0.001 0.000 0.249 614 D C 0.589 176.939 176.300 0.083 0.000 1.213 614 D CA 0.123 54.168 54.000 0.075 0.000 0.870 614 D CB 0.991 41.851 40.800 0.100 0.000 1.076 614 D HN 0.037 nan 8.370 nan 0.000 0.483 615 K N 3.762 124.207 120.400 0.074 0.000 2.113 615 K HA -0.227 4.093 4.320 0.001 0.000 0.208 615 K C 1.747 178.387 176.600 0.067 0.000 1.047 615 K CA 1.100 57.422 56.287 0.058 0.000 0.928 615 K CB -0.123 32.408 32.500 0.051 0.000 0.716 615 K HN 0.425 nan 8.250 nan 0.000 0.446 616 F N 1.331 121.252 119.950 -0.048 0.000 2.113 616 F HA -0.099 4.428 4.527 0.001 0.000 0.297 616 F C 1.795 177.534 175.800 -0.102 0.000 1.103 616 F CA 1.362 59.304 58.000 -0.098 0.000 1.248 616 F CB -0.072 38.856 39.000 -0.120 0.000 0.999 616 F HN -0.047 nan 8.300 nan 0.000 0.475 617 I N 0.061 120.678 120.570 0.078 0.000 2.315 617 I HA -0.253 3.918 4.170 0.001 0.000 0.248 617 I C 2.511 178.652 176.117 0.040 0.000 1.117 617 I CA 1.011 62.328 61.300 0.029 0.000 1.404 617 I CB -0.461 37.639 38.000 0.166 0.000 1.071 617 I HN 0.063 nan 8.210 nan 0.000 0.419 618 R N 0.651 121.174 120.500 0.039 0.000 2.091 618 R HA -0.173 4.167 4.340 0.001 0.000 0.238 618 R C 2.017 178.305 176.300 -0.020 0.000 1.136 618 R CA 1.261 57.388 56.100 0.044 0.000 0.959 618 R CB -0.283 30.025 30.300 0.014 0.000 0.856 618 R HN 0.433 nan 8.270 nan 0.000 0.437 619 E N 0.621 120.733 120.200 -0.146 0.000 2.268 619 E HA -0.125 4.225 4.350 0.001 0.000 0.195 619 E C 2.033 178.441 176.600 -0.321 0.000 0.995 619 E CA 0.661 56.928 56.400 -0.222 0.000 0.836 619 E CB 0.029 29.562 29.700 -0.278 0.000 0.763 619 E HN 0.406 nan 8.360 nan 0.000 0.491 620 L N -0.570 120.383 121.223 -0.449 0.000 2.156 620 L HA -0.076 4.265 4.340 0.001 0.000 0.208 620 L C 1.301 177.828 176.870 -0.572 0.000 1.095 620 L CA 0.935 55.438 54.840 -0.562 0.000 0.770 620 L CB -0.162 41.474 42.059 -0.704 0.000 0.914 620 L HN 0.056 nan 8.230 nan 0.000 0.439 621 F N -1.310 118.521 119.950 -0.199 0.000 2.708 621 F HA 0.148 4.675 4.527 0.001 0.000 0.300 621 F C 1.806 177.544 175.800 -0.103 0.000 1.118 621 F CA -0.170 57.725 58.000 -0.174 0.000 1.307 621 F CB 0.091 38.944 39.000 -0.245 0.000 0.986 621 F HN -0.071 nan 8.300 nan 0.000 0.522 622 E N -0.241 119.971 120.200 0.020 0.000 2.340 622 E HA -0.025 4.325 4.350 0.001 0.000 0.194 622 E C 2.062 178.658 176.600 -0.007 0.000 0.996 622 E CA 0.549 56.949 56.400 0.001 0.000 0.869 622 E CB 0.233 29.912 29.700 -0.035 0.000 0.835 622 E HN 0.125 nan 8.360 nan 0.000 0.493 623 S N -0.005 115.685 115.700 -0.016 0.000 2.370 623 S HA -0.206 4.265 4.470 0.001 0.000 0.226 623 S C 2.222 176.843 174.600 0.035 0.000 1.033 623 S CA 1.498 59.697 58.200 -0.002 0.000 1.011 623 S CB -0.436 62.758 63.200 -0.010 0.000 0.852 623 S HN 0.513 nan 8.310 nan 0.000 0.457 624 S N 0.065 115.811 115.700 0.077 0.000 2.607 624 S HA 0.232 4.703 4.470 0.001 0.000 0.224 624 S C 1.734 176.374 174.600 0.066 0.000 0.969 624 S CA 1.363 59.628 58.200 0.108 0.000 0.927 624 S CB -0.941 62.384 63.200 0.209 0.000 0.772 624 S HN 0.620 nan 8.310 nan 0.000 0.533 625 T N 0.417 114.997 114.554 0.042 0.000 2.894 625 T HA 0.150 4.501 4.350 0.001 0.000 0.258 625 T C 1.942 176.650 174.700 0.012 0.000 1.043 625 T CA 1.736 63.847 62.100 0.019 0.000 1.141 625 T CB -0.998 67.875 68.868 0.008 0.000 0.873 625 T HN 0.579 nan 8.240 nan 0.000 0.449 626 N N 1.093 119.799 118.700 0.010 0.000 2.376 626 N HA 0.114 4.854 4.740 0.001 0.000 0.177 626 N C 2.022 177.538 175.510 0.010 0.000 1.024 626 N CA 1.550 54.603 53.050 0.004 0.000 0.893 626 N CB -1.095 37.389 38.487 -0.005 0.000 0.980 626 N HN 0.792 nan 8.380 nan 0.000 0.439 627 N N -0.252 118.461 118.700 0.022 0.000 2.432 627 N HA 0.032 4.773 4.740 0.001 0.000 0.174 627 N C 2.041 177.573 175.510 0.035 0.000 1.037 627 N CA 1.342 54.409 53.050 0.028 0.000 0.892 627 N CB -1.394 37.114 38.487 0.036 0.000 1.049 627 N HN 0.852 nan 8.380 nan 0.000 0.442 628 N N 0.759 119.483 118.700 0.041 0.000 2.142 628 N HA -0.096 4.644 4.740 0.001 0.000 0.186 628 N C 2.311 177.833 175.510 0.021 0.000 1.023 628 N CA 2.465 55.535 53.050 0.034 0.000 0.852 628 N CB -1.143 37.362 38.487 0.029 0.000 0.998 628 N HN 0.901 nan 8.380 nan 0.000 0.424 629 K N -0.248 120.161 120.400 0.016 0.000 2.218 629 K HA -0.071 4.249 4.320 0.001 0.000 0.205 629 K C 2.097 178.703 176.600 0.010 0.000 1.046 629 K CA 2.106 58.399 56.287 0.009 0.000 0.933 629 K CB -1.929 30.574 32.500 0.005 0.000 0.728 629 K HN 0.848 nan 8.250 nan 0.000 0.454 630 D N -1.198 119.211 120.400 0.013 0.000 2.162 630 D HA 0.151 4.792 4.640 0.001 0.000 0.205 630 D C 2.250 178.561 176.300 0.017 0.000 0.964 630 D CA 2.347 56.355 54.000 0.013 0.000 0.847 630 D CB -0.632 40.176 40.800 0.013 0.000 0.988 630 D HN 0.658 nan 8.370 nan 0.000 0.480 631 T N -1.887 112.680 114.554 0.023 0.000 3.608 631 T HA 0.436 4.787 4.350 0.001 0.000 0.213 631 T C 2.399 177.113 174.700 0.024 0.000 0.897 631 T CA 3.156 65.272 62.100 0.026 0.000 1.533 631 T CB -0.622 68.267 68.868 0.035 0.000 1.504 631 T HN 1.176 nan 8.240 nan 0.000 0.446 632 K N -1.214 119.202 120.400 0.026 0.000 9.127 632 K HA -0.324 3.997 4.320 0.001 0.000 0.501 632 K C 2.466 179.079 176.600 0.020 0.000 0.371 632 K CA 3.583 59.882 56.287 0.020 0.000 1.951 632 K CB -2.552 29.956 32.500 0.013 0.000 0.721 632 K HN 1.671 nan 8.250 nan 0.000 1.023 633 Q N -1.175 118.636 119.800 0.019 0.000 2.096 633 Q HA 0.334 4.674 4.340 0.001 0.000 0.197 633 Q C 2.865 178.879 176.000 0.025 0.000 0.964 633 Q CA 3.297 59.112 55.803 0.020 0.000 0.838 633 Q CB -0.869 27.879 28.738 0.017 0.000 0.906 633 Q HN 1.750 nan 8.270 nan 0.000 0.444 634 K N 0.404 120.819 120.400 0.026 0.000 2.217 634 K HA 0.470 4.791 4.320 0.001 0.000 0.202 634 K C 2.439 179.061 176.600 0.037 0.000 1.051 634 K CA 1.464 57.770 56.287 0.031 0.000 0.952 634 K CB -0.781 31.736 32.500 0.029 0.000 0.736 634 K HN 0.864 nan 8.250 nan 0.000 0.453 635 A N 0.733 123.576 122.820 0.038 0.000 2.016 635 A HA 0.268 4.589 4.320 0.001 0.000 0.217 635 A C 2.693 180.305 177.584 0.047 0.000 1.162 635 A CA 1.426 53.492 52.037 0.048 0.000 0.662 635 A CB -0.609 18.421 19.000 0.050 0.000 0.812 635 A HN 0.567 nan 8.150 nan 0.000 0.450 636 G N -0.722 108.100 108.800 0.037 0.000 2.464 636 G HA2 0.089 4.049 3.960 0.001 0.000 0.217 636 G HA3 0.089 4.049 3.960 0.001 0.000 0.217 636 G C 1.607 176.530 174.900 0.039 0.000 1.138 636 G CA 1.405 46.526 45.100 0.036 0.000 0.793 636 G HN 0.728 nan 8.290 nan 0.000 0.539 637 K N -0.031 120.392 120.400 0.038 0.000 2.228 637 K HA 0.497 4.817 4.320 0.001 0.000 0.202 637 K C 2.396 179.024 176.600 0.047 0.000 1.051 637 K CA 1.338 57.649 56.287 0.040 0.000 0.960 637 K CB -1.076 31.445 32.500 0.036 0.000 0.743 637 K HN 0.783 nan 8.250 nan 0.000 0.458 638 L N -0.172 121.083 121.223 0.052 0.000 2.591 638 L HA 0.625 4.965 4.340 0.001 0.000 0.228 638 L C 2.433 179.344 176.870 0.068 0.000 1.133 638 L CA 1.535 56.412 54.840 0.061 0.000 0.880 638 L CB -1.383 40.714 42.059 0.064 0.000 1.033 638 L HN 0.649 nan 8.230 nan 0.000 0.450 639 S N -1.781 113.957 115.700 0.062 0.000 2.556 639 S HA 0.423 4.893 4.470 0.001 0.000 0.216 639 S C 1.654 176.289 174.600 0.059 0.000 0.970 639 S CA 0.929 59.168 58.200 0.065 0.000 0.912 639 S CB -0.629 62.605 63.200 0.058 0.000 0.790 639 S HN 1.367 nan 8.310 nan 0.000 0.504 640 F N 0.796 120.779 119.950 0.055 0.000 2.727 640 F HA 0.530 5.058 4.527 0.001 0.000 0.302 640 F C 0.351 176.182 175.800 0.052 0.000 1.097 640 F CA -0.545 57.484 58.000 0.049 0.000 1.330 640 F CB -0.412 38.614 39.000 0.042 0.000 1.084 640 F HN 0.163 nan 8.300 nan 0.000 0.578 641 I N 1.716 122.324 120.570 0.063 0.000 2.440 641 I HA 0.311 4.481 4.170 0.001 0.000 0.294 641 I C 0.912 177.074 176.117 0.075 0.000 0.995 641 I CA -1.074 60.270 61.300 0.074 0.000 1.306 641 I CB 1.135 39.188 38.000 0.088 0.000 1.407 641 I HN 0.291 nan 8.210 nan 0.000 0.501 642 S N 4.471 120.215 115.700 0.073 0.000 2.617 642 S HA 0.177 4.648 4.470 0.001 0.000 0.259 642 S C 1.226 175.893 174.600 0.112 0.000 1.301 642 S CA -0.285 57.953 58.200 0.063 0.000 0.984 642 S CB 1.386 64.607 63.200 0.036 0.000 0.954 642 S HN 0.599 nan 8.310 nan 0.000 0.572 643 V N -0.031 119.947 119.914 0.106 0.000 2.809 643 V HA 0.177 4.298 4.120 0.001 0.000 0.256 643 V C 1.858 178.142 176.094 0.316 0.000 1.080 643 V CA 1.880 64.296 62.300 0.195 0.000 1.102 643 V CB -1.467 30.457 31.823 0.169 0.000 0.705 643 V HN 0.975 nan 8.190 nan 0.000 0.475 644 G N 0.582 109.562 108.800 0.300 0.000 2.404 644 G HA2 -0.244 3.717 3.960 0.001 0.000 0.215 644 G HA3 -0.244 3.717 3.960 0.001 0.000 0.215 644 G C 1.328 176.432 174.900 0.340 0.000 1.174 644 G CA 1.007 46.333 45.100 0.377 0.000 0.780 644 G HN 0.601 nan 8.290 nan 0.000 0.537 645 N N -0.370 118.476 118.700 0.245 0.000 2.446 645 N HA 0.085 4.825 4.740 0.001 0.000 0.179 645 N C 2.041 177.680 175.510 0.215 0.000 1.054 645 N CA 0.299 53.479 53.050 0.216 0.000 0.905 645 N CB 0.122 38.700 38.487 0.152 0.000 0.973 645 N HN 0.198 nan 8.380 nan 0.000 0.448 646 K N -0.332 120.203 120.400 0.226 0.000 2.167 646 K HA -0.033 4.287 4.320 0.001 0.000 0.203 646 K C 1.281 178.024 176.600 0.237 0.000 1.052 646 K CA 0.626 57.033 56.287 0.201 0.000 0.956 646 K CB -0.055 32.557 32.500 0.187 0.000 0.735 646 K HN 0.167 nan 8.250 nan 0.000 0.451 647 F N 2.415 122.476 119.950 0.185 0.000 2.163 647 F HA -0.149 4.378 4.527 0.001 0.000 0.297 647 F C 2.356 178.281 175.800 0.209 0.000 1.094 647 F CA 1.466 59.584 58.000 0.198 0.000 1.290 647 F CB 0.046 39.186 39.000 0.234 0.000 1.017 647 F HN -0.169 nan 8.300 nan 0.000 0.483 648 K N -0.567 120.083 120.400 0.417 0.000 2.057 648 K HA -0.150 4.171 4.320 0.001 0.000 0.207 648 K C 1.829 178.514 176.600 0.141 0.000 1.049 648 K CA 1.976 58.477 56.287 0.356 0.000 0.931 648 K CB -0.348 32.387 32.500 0.391 0.000 0.714 648 K HN 0.224 nan 8.250 nan 0.000 0.440 649 T N 0.909 115.536 114.554 0.121 0.000 2.812 649 T HA -0.084 4.266 4.350 0.001 0.000 0.264 649 T C 1.799 176.513 174.700 0.025 0.000 1.042 649 T CA 0.791 62.937 62.100 0.077 0.000 1.140 649 T CB -0.026 68.896 68.868 0.091 0.000 0.870 649 T HN 0.255 nan 8.240 nan 0.000 0.445 650 Q N 0.331 120.128 119.800 -0.006 0.000 2.172 650 Q HA 0.038 4.378 4.340 0.001 0.000 0.200 650 Q C 2.332 178.260 176.000 -0.120 0.000 0.964 650 Q CA 0.810 56.594 55.803 -0.031 0.000 0.855 650 Q CB -0.309 28.415 28.738 -0.023 0.000 0.918 650 Q HN 0.408 nan 8.270 nan 0.000 0.444 651 L N 1.178 122.268 121.223 -0.222 0.000 2.156 651 L HA -0.074 4.267 4.340 0.001 0.000 0.208 651 L C 1.495 178.255 176.870 -0.183 0.000 1.095 651 L CA 1.511 56.176 54.840 -0.292 0.000 0.770 651 L CB -0.423 41.385 42.059 -0.419 0.000 0.914 651 L HN 0.061 nan 8.230 nan 0.000 0.439 652 N N -0.397 118.249 118.700 -0.090 0.000 2.396 652 N HA -0.065 4.676 4.740 0.001 0.000 0.180 652 N C 1.776 177.255 175.510 -0.052 0.000 1.028 652 N CA 1.238 54.262 53.050 -0.042 0.000 0.893 652 N CB -0.156 38.344 38.487 0.022 0.000 0.967 652 N HN 0.415 nan 8.380 nan 0.000 0.440 653 L N -0.082 121.103 121.223 -0.063 0.000 2.179 653 L HA -0.044 4.297 4.340 0.001 0.000 0.208 653 L C 2.109 178.881 176.870 -0.163 0.000 1.096 653 L CA 0.298 55.106 54.840 -0.054 0.000 0.779 653 L CB -0.259 41.809 42.059 0.014 0.000 0.922 653 L HN 0.101 nan 8.230 nan 0.000 0.443 654 L N -0.088 120.951 121.223 -0.307 0.000 2.056 654 L HA -0.160 4.181 4.340 0.001 0.000 0.207 654 L C 2.185 178.884 176.870 -0.286 0.000 1.078 654 L CA 1.791 56.329 54.840 -0.503 0.000 0.749 654 L CB -0.332 41.386 42.059 -0.568 0.000 0.901 654 L HN 0.108 nan 8.230 nan 0.000 0.433 655 L N -0.831 120.267 121.223 -0.208 0.000 2.179 655 L HA -0.107 4.234 4.340 0.001 0.000 0.208 655 L C 1.987 178.805 176.870 -0.086 0.000 1.096 655 L CA 0.757 55.494 54.840 -0.172 0.000 0.779 655 L CB -0.550 41.449 42.059 -0.102 0.000 0.922 655 L HN 0.218 nan 8.230 nan 0.000 0.443 656 D N -0.072 120.300 120.400 -0.046 0.000 2.178 656 D HA -0.189 4.452 4.640 0.001 0.000 0.202 656 D C 2.084 178.394 176.300 0.017 0.000 0.974 656 D CA 0.952 54.956 54.000 0.006 0.000 0.841 656 D CB 0.063 40.871 40.800 0.013 0.000 0.953 656 D HN 0.143 nan 8.370 nan 0.000 0.478 657 K N 0.234 120.626 120.400 -0.013 0.000 2.097 657 K HA -0.014 4.306 4.320 0.001 0.000 0.205 657 K C 1.952 178.593 176.600 0.068 0.000 1.050 657 K CA 0.652 56.958 56.287 0.031 0.000 0.938 657 K CB -0.049 32.438 32.500 -0.022 0.000 0.718 657 K HN 0.093 nan 8.250 nan 0.000 0.442 658 L N 0.035 121.246 121.223 -0.019 0.000 2.156 658 L HA -0.062 4.279 4.340 0.001 0.000 0.208 658 L C 2.509 179.452 176.870 0.123 0.000 1.095 658 L CA 0.796 55.584 54.840 -0.086 0.000 0.770 658 L CB -0.129 41.552 42.059 -0.631 0.000 0.914 658 L HN 0.115 nan 8.230 nan 0.000 0.439 659 R N -0.082 120.507 120.500 0.148 0.000 2.115 659 R HA -0.083 4.258 4.340 0.001 0.000 0.226 659 R C 2.182 178.587 176.300 0.175 0.000 1.100 659 R CA 1.265 57.525 56.100 0.268 0.000 0.980 659 R CB -0.081 30.326 30.300 0.179 0.000 0.875 659 R HN 0.326 nan 8.270 nan 0.000 0.445 660 S N -0.890 114.877 115.700 0.112 0.000 2.710 660 S HA 0.038 4.508 4.470 0.001 0.000 0.224 660 S C 0.023 174.638 174.600 0.025 0.000 0.948 660 S CA 0.024 58.263 58.200 0.064 0.000 0.949 660 S CB -0.213 63.021 63.200 0.056 0.000 0.778 660 S HN 0.225 nan 8.310 nan 0.000 0.498 661 T N -2.117 112.472 114.554 0.058 0.000 2.916 661 T HA 0.704 5.055 4.350 0.001 0.000 0.298 661 T C 0.139 174.867 174.700 0.047 0.000 1.031 661 T CA -0.514 61.582 62.100 -0.007 0.000 0.993 661 T CB 1.171 70.033 68.868 -0.011 0.000 1.045 661 T HN 0.233 nan 8.240 nan 0.000 0.454 662 G N 1.010 109.793 108.800 -0.028 0.000 2.343 662 G HA2 0.508 4.469 3.960 0.001 0.000 0.254 662 G HA3 0.508 4.469 3.960 0.001 0.000 0.254 662 G C 0.105 175.012 174.900 0.012 0.000 1.277 662 G CA -0.391 44.701 45.100 -0.014 0.000 0.909 662 G HN 1.201 nan 8.290 nan 0.000 0.502 663 A N 2.878 125.720 122.820 0.037 0.000 2.288 663 A HA 0.763 5.083 4.320 0.001 0.000 0.320 663 A C 0.465 177.949 177.584 -0.167 0.000 1.217 663 A CA -0.504 51.498 52.037 -0.059 0.000 0.840 663 A CB 1.115 20.154 19.000 0.064 0.000 1.179 663 A HN 0.717 nan 8.150 nan 0.000 0.504 664 S N 0.588 116.132 115.700 -0.260 0.000 2.690 664 S HA 0.841 5.312 4.470 0.001 0.000 0.291 664 S C -0.975 173.334 174.600 -0.485 0.000 1.138 664 S CA -0.203 57.898 58.200 -0.164 0.000 1.013 664 S CB 0.708 63.891 63.200 -0.029 0.000 1.053 664 S HN 0.487 nan 8.310 nan 0.000 0.539 665 F N 0.631 120.636 119.950 0.091 0.000 2.557 665 F HA 0.558 5.085 4.527 0.001 0.000 0.316 665 F C -0.412 175.414 175.800 0.045 0.000 1.141 665 F CA -0.622 57.400 58.000 0.036 0.000 0.922 665 F CB 1.088 40.117 39.000 0.048 0.000 1.194 665 F HN 0.283 nan 8.300 nan 0.000 0.443 666 I N 3.023 123.686 120.570 0.155 0.000 2.474 666 I HA 0.527 4.698 4.170 0.001 0.000 0.294 666 I C -0.517 175.655 176.117 0.091 0.000 1.005 666 I CA -0.979 60.393 61.300 0.121 0.000 1.113 666 I CB 1.910 39.955 38.000 0.076 0.000 1.289 666 I HN 0.391 nan 8.210 nan 0.000 0.436 667 R N 4.312 124.870 120.500 0.097 0.000 2.396 667 R HA 0.354 4.694 4.340 0.001 0.000 0.292 667 R C -1.376 174.953 176.300 0.049 0.000 1.240 667 R CA -0.451 55.688 56.100 0.065 0.000 1.270 667 R CB 0.561 30.913 30.300 0.086 0.000 1.108 667 R HN 0.572 nan 8.270 nan 0.000 0.573 668 C N 4.695 124.012 119.300 0.029 0.000 2.657 668 C HA 0.287 4.747 4.460 0.001 0.000 0.404 668 C C 0.476 175.454 174.990 -0.020 0.000 1.369 668 C CA -0.529 58.493 59.018 0.007 0.000 1.665 668 C CB -0.936 26.805 27.740 0.001 0.000 2.453 668 C HN 0.535 nan 8.230 nan 0.000 0.599 669 I N 3.800 124.341 120.570 -0.050 0.000 2.498 669 I HA 0.376 4.546 4.170 0.001 0.000 0.301 669 I C 0.182 176.225 176.117 -0.124 0.000 0.984 669 I CA -0.525 60.722 61.300 -0.088 0.000 1.204 669 I CB 1.267 39.198 38.000 -0.115 0.000 1.362 669 I HN 0.578 nan 8.210 nan 0.000 0.471 670 K N 7.588 127.922 120.400 -0.110 0.000 2.334 670 K HA 0.424 4.745 4.320 0.001 0.000 0.265 670 K C -1.973 174.561 176.600 -0.110 0.000 1.039 670 K CA -1.362 54.883 56.287 -0.069 0.000 0.920 670 K CB 1.701 34.198 32.500 -0.004 0.000 1.160 670 K HN 0.183 nan 8.250 nan 0.000 0.451 671 P HA -0.086 nan 4.420 nan 0.000 0.222 671 P C -1.029 176.217 177.300 -0.091 0.000 1.153 671 P CA 0.858 63.823 63.100 -0.225 0.000 0.798 671 P CB -0.113 31.466 31.700 -0.203 0.000 0.796 672 N N -2.936 115.793 118.700 0.047 0.000 2.961 672 N HA 0.202 4.943 4.740 0.001 0.000 0.245 672 N C 0.178 175.681 175.510 -0.011 0.000 1.404 672 N CA -0.862 52.192 53.050 0.006 0.000 0.880 672 N CB 0.251 38.753 38.487 0.026 0.000 1.461 672 N HN -0.335 nan 8.380 nan 0.000 0.510 673 L N -0.525 120.672 121.223 -0.043 0.000 2.395 673 L HA 0.147 4.487 4.340 0.001 0.000 0.218 673 L C 1.285 178.100 176.870 -0.090 0.000 1.130 673 L CA 0.537 55.347 54.840 -0.050 0.000 0.826 673 L CB -0.341 41.693 42.059 -0.042 0.000 0.941 673 L HN 0.553 nan 8.230 nan 0.000 0.451 674 K N 0.291 120.612 120.400 -0.131 0.000 2.444 674 K HA 0.100 4.420 4.320 0.001 0.000 0.193 674 K C 0.811 177.254 176.600 -0.261 0.000 1.024 674 K CA -0.058 56.129 56.287 -0.167 0.000 1.077 674 K CB 0.298 32.693 32.500 -0.176 0.000 0.833 674 K HN 0.159 nan 8.250 nan 0.000 0.517 675 M N 1.368 120.722 119.600 -0.410 0.000 2.818 675 M HA -0.194 4.286 4.480 0.001 0.000 0.204 675 M C -0.389 175.363 176.300 -0.914 0.000 0.552 675 M CA 0.870 55.655 55.300 -0.857 0.000 0.687 675 M CB -1.329 30.993 32.600 -0.464 0.000 2.512 675 M HN 0.272 nan 8.290 nan 0.000 0.563 676 T N -1.979 112.250 114.554 -0.541 0.000 2.918 676 T HA 0.797 5.148 4.350 0.001 0.000 0.286 676 T C 0.364 175.121 174.700 0.096 0.000 1.026 676 T CA -0.200 61.782 62.100 -0.195 0.000 1.031 676 T CB 1.880 70.639 68.868 -0.182 0.000 1.046 676 T HN 0.508 nan 8.240 nan 0.000 0.479 677 S N 0.755 116.596 115.700 0.236 0.000 2.617 677 S HA 0.317 4.788 4.470 0.001 0.000 0.269 677 S C -0.179 174.634 174.600 0.356 0.000 1.292 677 S CA -0.442 57.949 58.200 0.317 0.000 1.010 677 S CB -0.475 62.895 63.200 0.282 0.000 0.944 677 S HN 1.075 nan 8.310 nan 0.000 0.536 678 H N -0.739 118.518 119.070 0.311 0.000 2.770 678 H HA -0.146 4.411 4.556 0.001 0.000 0.309 678 H C -0.544 174.955 175.328 0.285 0.000 1.206 678 H CA 1.223 57.399 56.048 0.214 0.000 1.147 678 H CB -2.235 27.555 29.762 0.047 0.000 1.422 678 H HN 0.705 nan 8.280 nan 0.000 0.420 679 H N 0.039 119.353 119.070 0.408 0.000 2.761 679 H HA 0.126 4.683 4.556 0.001 0.000 0.263 679 H C -0.755 174.756 175.328 0.305 0.000 1.292 679 H CA -0.654 55.576 56.048 0.302 0.000 1.540 679 H CB 0.189 30.061 29.762 0.183 0.000 1.569 679 H HN 0.217 nan 8.280 nan 0.000 0.510 680 F N 3.789 123.871 119.950 0.221 0.000 2.405 680 F HA 0.113 4.641 4.527 0.001 0.000 0.358 680 F C 0.417 176.249 175.800 0.053 0.000 1.151 680 F CA -0.454 57.586 58.000 0.067 0.000 1.161 680 F CB 0.483 39.523 39.000 0.067 0.000 1.245 680 F HN 0.271 nan 8.300 nan 0.000 0.545 681 E N 4.822 124.961 120.200 -0.102 0.000 1.996 681 E HA 0.112 4.463 4.350 0.001 0.000 0.280 681 E C 1.051 177.531 176.600 -0.199 0.000 1.092 681 E CA 0.094 56.448 56.400 -0.078 0.000 0.862 681 E CB 1.182 30.833 29.700 -0.081 0.000 1.066 681 E HN 0.945 nan 8.360 nan 0.000 0.396 682 G N 3.134 111.930 108.800 -0.007 0.000 2.446 682 G HA2 -0.305 3.655 3.960 0.001 0.000 0.217 682 G HA3 -0.305 3.655 3.960 0.001 0.000 0.217 682 G C 1.400 176.259 174.900 -0.068 0.000 1.168 682 G CA 0.908 46.030 45.100 0.037 0.000 0.771 682 G HN 0.547 nan 8.290 nan 0.000 0.551 683 A N 0.147 122.913 122.820 -0.090 0.000 1.969 683 A HA -0.006 4.315 4.320 0.001 0.000 0.218 683 A C 2.334 179.850 177.584 -0.113 0.000 1.169 683 A CA 1.810 53.777 52.037 -0.116 0.000 0.635 683 A CB -0.283 18.637 19.000 -0.134 0.000 0.810 683 A HN 0.481 nan 8.150 nan 0.000 0.445 684 Q N -0.634 119.087 119.800 -0.131 0.000 2.137 684 Q HA 0.054 4.395 4.340 0.001 0.000 0.198 684 Q C 1.902 177.812 176.000 -0.149 0.000 0.960 684 Q CA 1.176 56.902 55.803 -0.129 0.000 0.847 684 Q CB -0.193 28.468 28.738 -0.129 0.000 0.915 684 Q HN 0.711 nan 8.270 nan 0.000 0.448 685 I N 0.386 120.820 120.570 -0.227 0.000 2.353 685 I HA -0.229 3.942 4.170 0.001 0.000 0.248 685 I C 2.143 178.199 176.117 -0.102 0.000 1.119 685 I CA 0.451 61.607 61.300 -0.240 0.000 1.417 685 I CB -0.096 37.601 38.000 -0.505 0.000 1.078 685 I HN 0.214 nan 8.210 nan 0.000 0.421 686 L N 0.242 121.428 121.223 -0.062 0.000 2.046 686 L HA -0.212 4.128 4.340 0.001 0.000 0.208 686 L C 2.581 179.459 176.870 0.013 0.000 1.077 686 L CA 1.961 56.806 54.840 0.007 0.000 0.747 686 L CB -0.727 41.329 42.059 -0.005 0.000 0.896 686 L HN 0.136 nan 8.230 nan 0.000 0.432 687 S N -1.537 114.153 115.700 -0.017 0.000 2.423 687 S HA -0.181 4.289 4.470 0.001 0.000 0.231 687 S C 1.912 176.526 174.600 0.024 0.000 1.014 687 S CA 1.197 59.401 58.200 0.006 0.000 0.965 687 S CB -0.149 63.033 63.200 -0.030 0.000 0.785 687 S HN 0.669 nan 8.310 nan 0.000 0.495 688 Q N 0.091 119.890 119.800 -0.002 0.000 2.123 688 Q HA 0.091 4.432 4.340 0.001 0.000 0.199 688 Q C 2.137 178.166 176.000 0.049 0.000 0.966 688 Q CA 1.133 56.944 55.803 0.014 0.000 0.845 688 Q CB -0.160 28.562 28.738 -0.027 0.000 0.907 688 Q HN 0.513 nan 8.270 nan 0.000 0.439 689 L N 0.296 121.545 121.223 0.045 0.000 2.141 689 L HA -0.211 4.130 4.340 0.001 0.000 0.209 689 L C 2.280 179.213 176.870 0.104 0.000 1.094 689 L CA 1.101 55.985 54.840 0.072 0.000 0.763 689 L CB -0.232 41.865 42.059 0.063 0.000 0.908 689 L HN 0.260 nan 8.230 nan 0.000 0.437 690 Q N -0.979 118.880 119.800 0.097 0.000 2.046 690 Q HA -0.175 4.165 4.340 0.001 0.000 0.200 690 Q C 2.389 178.452 176.000 0.105 0.000 0.975 690 Q CA 1.822 57.684 55.803 0.098 0.000 0.836 690 Q CB -0.199 28.587 28.738 0.080 0.000 0.896 690 Q HN 0.530 nan 8.270 nan 0.000 0.428 691 C N 0.233 119.608 119.300 0.125 0.000 2.481 691 C HA 0.010 4.471 4.460 0.001 0.000 0.275 691 C C 2.710 177.873 174.990 0.288 0.000 1.419 691 C CA 0.680 59.805 59.018 0.178 0.000 1.773 691 C CB -0.871 27.050 27.740 0.300 0.000 1.862 691 C HN 0.574 nan 8.230 nan 0.000 0.530 692 S N 0.066 115.900 115.700 0.222 0.000 2.562 692 S HA 0.289 4.759 4.470 0.001 0.000 0.221 692 S C 1.511 176.242 174.600 0.218 0.000 0.975 692 S CA 1.021 59.332 58.200 0.185 0.000 0.918 692 S CB -0.361 62.904 63.200 0.108 0.000 0.772 692 S HN 1.037 nan 8.310 nan 0.000 0.531 693 G N 0.730 109.731 108.800 0.335 0.000 2.136 693 G HA2 -0.300 3.660 3.960 0.001 0.000 0.242 693 G HA3 -0.300 3.660 3.960 0.001 0.000 0.242 693 G C 0.430 175.486 174.900 0.260 0.000 0.989 693 G CA 0.500 45.785 45.100 0.308 0.000 0.682 693 G HN 0.456 nan 8.290 nan 0.000 0.522 694 M N 0.155 119.891 119.600 0.228 0.000 2.156 694 M HA 0.192 4.672 4.480 0.001 0.000 0.264 694 M C 2.504 178.858 176.300 0.091 0.000 1.067 694 M CA 2.297 57.697 55.300 0.168 0.000 1.131 694 M CB -0.371 32.312 32.600 0.139 0.000 1.368 694 M HN 0.245 nan 8.290 nan 0.000 0.416 695 V N -0.895 119.081 119.914 0.103 0.000 2.427 695 V HA -0.219 3.902 4.120 0.001 0.000 0.248 695 V C 2.479 178.619 176.094 0.076 0.000 1.051 695 V CA 1.895 64.241 62.300 0.076 0.000 1.048 695 V CB -1.076 30.804 31.823 0.094 0.000 0.666 695 V HN 0.652 nan 8.190 nan 0.000 0.456 696 S N -0.229 115.537 115.700 0.110 0.000 2.368 696 S HA -0.167 4.304 4.470 0.001 0.000 0.225 696 S C 1.964 176.559 174.600 -0.008 0.000 1.030 696 S CA 1.904 60.160 58.200 0.092 0.000 0.999 696 S CB -0.177 63.111 63.200 0.146 0.000 0.844 696 S HN 0.345 nan 8.310 nan 0.000 0.459 697 V N 2.157 122.014 119.914 -0.095 0.000 2.515 697 V HA -0.061 4.059 4.120 0.001 0.000 0.250 697 V C 2.312 178.347 176.094 -0.099 0.000 1.058 697 V CA 1.448 63.624 62.300 -0.207 0.000 1.064 697 V CB -0.630 30.955 31.823 -0.397 0.000 0.675 697 V HN 0.505 nan 8.190 nan 0.000 0.461 698 L N -0.208 120.994 121.223 -0.036 0.000 2.201 698 L HA -0.151 4.190 4.340 0.001 0.000 0.212 698 L C 2.204 179.088 176.870 0.024 0.000 1.105 698 L CA 1.236 56.073 54.840 -0.004 0.000 0.775 698 L CB -0.747 41.308 42.059 -0.006 0.000 0.913 698 L HN 0.361 nan 8.230 nan 0.000 0.440 699 D N 0.276 120.699 120.400 0.038 0.000 2.123 699 D HA -0.159 4.482 4.640 0.001 0.000 0.200 699 D C 2.192 178.530 176.300 0.064 0.000 0.976 699 D CA 0.888 54.931 54.000 0.071 0.000 0.831 699 D CB -0.113 40.743 40.800 0.094 0.000 0.974 699 D HN 0.213 nan 8.370 nan 0.000 0.469 700 L N -0.004 121.236 121.223 0.029 0.000 2.017 700 L HA -0.121 4.219 4.340 0.001 0.000 0.208 700 L C 2.205 179.079 176.870 0.008 0.000 1.073 700 L CA 1.172 56.021 54.840 0.015 0.000 0.745 700 L CB -0.101 41.916 42.059 -0.070 0.000 0.894 700 L HN -0.034 nan 8.230 nan 0.000 0.432 701 M N -1.297 118.305 119.600 0.003 0.000 2.476 701 M HA -0.136 4.344 4.480 0.001 0.000 0.262 701 M C 1.997 178.338 176.300 0.067 0.000 1.079 701 M CA 0.816 56.140 55.300 0.040 0.000 1.104 701 M CB -0.116 32.511 32.600 0.045 0.000 1.409 701 M HN 0.302 nan 8.290 nan 0.000 0.467 702 Q N -0.141 119.697 119.800 0.063 0.000 2.224 702 Q HA -0.062 4.278 4.340 0.001 0.000 0.203 702 Q C 2.182 178.205 176.000 0.038 0.000 0.970 702 Q CA 1.612 57.455 55.803 0.067 0.000 0.865 702 Q CB -0.548 28.241 28.738 0.085 0.000 0.922 702 Q HN 0.649 nan 8.270 nan 0.000 0.445 703 G N 0.274 109.104 108.800 0.050 0.000 2.448 703 G HA2 -0.102 3.858 3.960 0.001 0.000 0.219 703 G HA3 -0.102 3.858 3.960 0.001 0.000 0.219 703 G C 0.960 175.826 174.900 -0.056 0.000 1.127 703 G CA 1.008 46.134 45.100 0.044 0.000 0.766 703 G HN 0.449 nan 8.290 nan 0.000 0.552 704 G N -0.568 108.193 108.800 -0.066 0.000 3.392 704 G HA2 0.482 4.443 3.960 0.001 0.000 0.188 704 G HA3 0.482 4.443 3.960 0.001 0.000 0.188 704 G C -0.785 173.829 174.900 -0.475 0.000 1.485 704 G CA -0.854 44.117 45.100 -0.215 0.000 0.943 704 G HN 0.078 nan 8.290 nan 0.000 0.627 705 F N 1.772 121.734 119.950 0.021 0.000 2.363 705 F HA 0.353 4.881 4.527 0.001 0.000 0.366 705 F C -1.426 174.498 175.800 0.206 0.000 1.083 705 F CA -1.723 56.311 58.000 0.055 0.000 1.176 705 F CB 2.502 41.480 39.000 -0.036 0.000 1.432 705 F HN 0.168 nan 8.300 nan 0.000 0.482 706 P HA 0.014 nan 4.420 nan 0.000 0.240 706 P C 0.106 177.534 177.300 0.213 0.000 1.190 706 P CA 0.494 63.726 63.100 0.220 0.000 0.781 706 P CB 0.633 32.424 31.700 0.152 0.000 0.931 707 S N 0.503 116.363 115.700 0.266 0.000 2.456 707 S HA 0.529 5.000 4.470 0.001 0.000 0.316 707 S C -0.211 174.554 174.600 0.276 0.000 1.089 707 S CA -0.453 57.918 58.200 0.284 0.000 1.101 707 S CB 0.900 64.290 63.200 0.316 0.000 0.995 707 S HN 0.079 nan 8.310 nan 0.000 0.468 708 R N 1.359 121.931 120.500 0.121 0.000 2.566 708 R HA 0.788 5.129 4.340 0.001 0.000 0.271 708 R C -1.439 174.825 176.300 -0.059 0.000 1.071 708 R CA -0.770 55.216 56.100 -0.190 0.000 0.915 708 R CB 1.596 31.432 30.300 -0.774 0.000 1.228 708 R HN 0.559 nan 8.270 nan 0.000 0.449 709 A N 1.372 124.128 122.820 -0.106 0.000 2.374 709 A HA 0.629 4.949 4.320 0.001 0.000 0.305 709 A C -0.167 177.313 177.584 -0.173 0.000 1.053 709 A CA -0.794 51.239 52.037 -0.005 0.000 0.726 709 A CB 1.325 20.448 19.000 0.204 0.000 1.229 709 A HN 0.823 nan 8.150 nan 0.000 0.431 710 S N 1.081 116.679 115.700 -0.171 0.000 2.587 710 S HA 0.320 4.790 4.470 0.001 0.000 0.260 710 S C 0.619 175.127 174.600 -0.152 0.000 1.353 710 S CA 0.043 58.058 58.200 -0.308 0.000 0.995 710 S CB -0.173 62.929 63.200 -0.164 0.000 0.912 710 S HN 0.530 nan 8.310 nan 0.000 0.568 711 F N 0.293 120.262 119.950 0.031 0.000 2.234 711 F HA 0.041 4.568 4.527 0.001 0.000 0.299 711 F C 2.503 178.395 175.800 0.153 0.000 1.087 711 F CA 1.645 59.702 58.000 0.095 0.000 1.340 711 F CB -1.544 37.511 39.000 0.090 0.000 1.031 711 F HN 0.834 nan 8.300 nan 0.000 0.500 712 H N -0.298 118.890 119.070 0.197 0.000 2.462 712 H HA -0.047 4.509 4.556 0.001 0.000 0.292 712 H C 2.176 177.600 175.328 0.160 0.000 1.049 712 H CA 1.575 57.717 56.048 0.156 0.000 1.334 712 H CB 0.011 29.821 29.762 0.080 0.000 1.404 712 H HN 0.329 nan 8.280 nan 0.000 0.544 713 E N -0.008 120.274 120.200 0.138 0.000 2.046 713 E HA -0.100 4.251 4.350 0.001 0.000 0.190 713 E C 1.955 178.609 176.600 0.091 0.000 0.982 713 E CA 0.883 57.333 56.400 0.083 0.000 0.800 713 E CB 0.069 29.837 29.700 0.112 0.000 0.756 713 E HN 0.504 nan 8.360 nan 0.000 0.449 714 L N 0.288 121.641 121.223 0.217 0.000 2.275 714 L HA -0.155 4.186 4.340 0.001 0.000 0.215 714 L C 2.333 179.376 176.870 0.289 0.000 1.119 714 L CA 0.678 55.741 54.840 0.373 0.000 0.790 714 L CB -0.356 42.011 42.059 0.513 0.000 0.919 714 L HN 0.251 nan 8.230 nan 0.000 0.443 715 Y N 1.047 121.304 120.300 -0.072 0.000 2.243 715 Y HA -0.139 4.412 4.550 0.001 0.000 0.293 715 Y C 2.272 177.905 175.900 -0.444 0.000 1.124 715 Y CA 1.451 59.256 58.100 -0.492 0.000 1.159 715 Y CB -0.080 38.106 38.460 -0.458 0.000 1.008 715 Y HN 0.145 nan 8.280 nan 0.000 0.527 716 N N -0.216 118.246 118.700 -0.398 0.000 2.244 716 N HA -0.135 4.605 4.740 0.001 0.000 0.183 716 N C 1.669 176.953 175.510 -0.376 0.000 1.016 716 N CA 1.739 54.540 53.050 -0.415 0.000 0.866 716 N CB -0.246 38.075 38.487 -0.277 0.000 0.980 716 N HN 0.434 nan 8.380 nan 0.000 0.430 717 M N -1.386 118.007 119.600 -0.345 0.000 2.160 717 M HA -0.042 4.439 4.480 0.001 0.000 0.264 717 M C 0.681 176.633 176.300 -0.580 0.000 1.073 717 M CA 1.312 56.306 55.300 -0.510 0.000 1.142 717 M CB 0.020 32.191 32.600 -0.715 0.000 1.358 717 M HN 0.108 nan 8.290 nan 0.000 0.422 718 Y N 0.033 120.287 120.300 -0.075 0.000 2.481 718 Y HA 0.145 4.696 4.550 0.001 0.000 0.247 718 Y C 1.907 177.836 175.900 0.049 0.000 1.151 718 Y CA -0.253 57.862 58.100 0.026 0.000 1.238 718 Y CB -0.428 38.250 38.460 0.362 0.000 1.179 718 Y HN 0.183 nan 8.280 nan 0.000 0.524 719 K N 1.453 121.759 120.400 -0.157 0.000 2.147 719 K HA -0.200 4.121 4.320 0.001 0.000 0.205 719 K C 1.553 178.129 176.600 -0.041 0.000 1.049 719 K CA 1.748 57.940 56.287 -0.159 0.000 0.936 719 K CB -0.332 31.693 32.500 -0.791 0.000 0.722 719 K HN 0.387 nan 8.250 nan 0.000 0.446 720 K N 0.366 120.644 120.400 -0.204 0.000 2.211 720 K HA -0.140 4.181 4.320 0.001 0.000 0.203 720 K C 1.500 178.083 176.600 -0.028 0.000 1.050 720 K CA 1.237 57.417 56.287 -0.178 0.000 0.945 720 K CB -0.430 31.885 32.500 -0.308 0.000 0.732 720 K HN 0.330 nan 8.250 nan 0.000 0.451 721 Y N 0.614 120.983 120.300 0.114 0.000 2.519 721 Y HA 0.125 4.676 4.550 0.001 0.000 0.287 721 Y C 1.124 177.080 175.900 0.094 0.000 1.128 721 Y CA -0.977 57.184 58.100 0.102 0.000 1.282 721 Y CB 0.170 38.702 38.460 0.120 0.000 1.027 721 Y HN 0.005 nan 8.280 nan 0.000 0.551 722 M N 0.695 120.454 119.600 0.265 0.000 2.197 722 M HA 0.261 4.742 4.480 0.001 0.000 0.305 722 M C -2.224 174.162 176.300 0.143 0.000 1.162 722 M CA -2.789 52.622 55.300 0.185 0.000 1.099 722 M CB -0.547 32.187 32.600 0.223 0.000 1.430 722 M HN -0.171 nan 8.290 nan 0.000 0.481 723 P HA 0.103 nan 4.420 nan 0.000 0.272 723 P C 0.105 177.467 177.300 0.102 0.000 1.240 723 P CA -0.177 62.974 63.100 0.085 0.000 0.791 723 P CB 0.479 32.216 31.700 0.061 0.000 0.978 724 D N 0.043 120.492 120.400 0.082 0.000 2.182 724 D HA -0.159 4.482 4.640 0.001 0.000 0.201 724 D C 1.668 178.024 176.300 0.094 0.000 0.986 724 D CA 1.187 55.237 54.000 0.083 0.000 0.847 724 D CB -0.053 40.783 40.800 0.060 0.000 0.942 724 D HN 0.368 nan 8.370 nan 0.000 0.467 725 K N 0.320 120.770 120.400 0.083 0.000 2.026 725 K HA -0.071 4.250 4.320 0.001 0.000 0.208 725 K C 2.098 178.767 176.600 0.114 0.000 1.048 725 K CA 0.643 56.979 56.287 0.080 0.000 0.929 725 K CB -0.092 32.444 32.500 0.060 0.000 0.713 725 K HN 0.191 nan 8.250 nan 0.000 0.439 726 L N 0.120 121.424 121.223 0.136 0.000 2.156 726 L HA -0.073 4.267 4.340 0.001 0.000 0.208 726 L C 2.544 179.650 176.870 0.393 0.000 1.095 726 L CA 0.879 55.836 54.840 0.194 0.000 0.770 726 L CB -0.553 41.561 42.059 0.092 0.000 0.914 726 L HN 0.185 nan 8.230 nan 0.000 0.439 727 A N 0.316 123.341 122.820 0.343 0.000 1.969 727 A HA -0.170 4.151 4.320 0.001 0.000 0.218 727 A C 2.380 180.172 177.584 0.346 0.000 1.169 727 A CA 1.095 53.353 52.037 0.368 0.000 0.635 727 A CB -0.402 18.709 19.000 0.186 0.000 0.810 727 A HN 0.304 nan 8.150 nan 0.000 0.445 728 R N -0.529 120.107 120.500 0.227 0.000 2.152 728 R HA 0.042 4.382 4.340 0.001 0.000 0.232 728 R C 0.224 176.607 176.300 0.138 0.000 1.117 728 R CA 0.179 56.373 56.100 0.156 0.000 0.981 728 R CB -0.562 29.796 30.300 0.096 0.000 0.870 728 R HN 0.464 nan 8.270 nan 0.000 0.451 729 L N 2.326 123.658 121.223 0.182 0.000 2.503 729 L HA -0.074 4.267 4.340 0.001 0.000 0.287 729 L C 0.645 177.524 176.870 0.015 0.000 1.252 729 L CA 0.077 54.994 54.840 0.128 0.000 0.835 729 L CB -0.023 42.162 42.059 0.210 0.000 1.099 729 L HN 0.297 nan 8.230 nan 0.000 0.516 730 D N 0.891 121.270 120.400 -0.035 0.000 2.341 730 D HA 0.090 4.730 4.640 0.001 0.000 0.245 730 D C -2.131 174.080 176.300 -0.149 0.000 1.106 730 D CA -1.648 52.272 54.000 -0.133 0.000 0.905 730 D CB 1.225 41.987 40.800 -0.063 0.000 1.202 730 D HN 0.208 nan 8.370 nan 0.000 0.426 731 P HA -0.217 nan 4.420 nan 0.000 0.218 731 P C 1.468 178.837 177.300 0.115 0.000 1.152 731 P CA 1.352 64.375 63.100 -0.128 0.000 0.857 731 P CB 0.032 31.735 31.700 0.004 0.000 0.787 732 R N -0.692 119.822 120.500 0.023 0.000 2.090 732 R HA -0.075 4.266 4.340 0.001 0.000 0.228 732 R C 2.000 178.236 176.300 -0.108 0.000 1.110 732 R CA 1.030 57.003 56.100 -0.211 0.000 0.973 732 R CB -0.885 29.332 30.300 -0.138 0.000 0.869 732 R HN 0.159 nan 8.270 nan 0.000 0.440 733 L N 0.292 121.520 121.223 0.008 0.000 2.179 733 L HA -0.016 4.325 4.340 0.001 0.000 0.208 733 L C 1.873 178.832 176.870 0.149 0.000 1.096 733 L CA 1.254 56.122 54.840 0.046 0.000 0.779 733 L CB -0.626 41.446 42.059 0.022 0.000 0.922 733 L HN 0.089 nan 8.230 nan 0.000 0.443 734 F N -0.389 119.607 119.950 0.077 0.000 2.095 734 F HA -0.315 4.213 4.527 0.001 0.000 0.298 734 F C 2.416 178.342 175.800 0.209 0.000 1.104 734 F CA 2.190 60.297 58.000 0.179 0.000 1.232 734 F CB -0.491 38.686 39.000 0.294 0.000 0.987 734 F HN 0.144 nan 8.300 nan 0.000 0.475 735 C N 0.370 119.947 119.300 0.461 0.000 2.450 735 C HA -0.076 4.385 4.460 0.001 0.000 0.279 735 C C 2.676 177.862 174.990 0.327 0.000 1.335 735 C CA 0.774 60.061 59.018 0.449 0.000 1.749 735 C CB -1.050 26.976 27.740 0.477 0.000 1.963 735 C HN 0.449 nan 8.230 nan 0.000 0.501 736 K N 0.997 121.465 120.400 0.113 0.000 2.057 736 K HA -0.060 4.261 4.320 0.001 0.000 0.206 736 K C 2.211 178.786 176.600 -0.042 0.000 1.050 736 K CA 1.376 57.561 56.287 -0.170 0.000 0.935 736 K CB -0.215 32.183 32.500 -0.171 0.000 0.715 736 K HN 0.444 nan 8.250 nan 0.000 0.439 737 A N 0.991 123.854 122.820 0.072 0.000 1.930 737 A HA -0.139 4.182 4.320 0.001 0.000 0.217 737 A C 1.957 179.452 177.584 -0.149 0.000 1.175 737 A CA 1.047 53.083 52.037 -0.001 0.000 0.627 737 A CB -0.413 18.645 19.000 0.097 0.000 0.815 737 A HN 0.272 nan 8.150 nan 0.000 0.443 738 L N -1.831 119.328 121.223 -0.108 0.000 2.109 738 L HA 0.048 4.389 4.340 0.001 0.000 0.207 738 L C 2.098 178.969 176.870 0.002 0.000 1.086 738 L CA 1.750 56.535 54.840 -0.092 0.000 0.760 738 L CB -0.835 41.191 42.059 -0.056 0.000 0.910 738 L HN 0.412 nan 8.230 nan 0.000 0.437 739 F N 0.270 120.185 119.950 -0.059 0.000 2.146 739 F HA -0.187 4.341 4.527 0.001 0.000 0.298 739 F C 2.565 178.242 175.800 -0.205 0.000 1.096 739 F CA 1.964 59.924 58.000 -0.067 0.000 1.275 739 F CB -0.010 38.998 39.000 0.013 0.000 1.008 739 F HN 0.095 nan 8.300 nan 0.000 0.480 740 K N 0.235 120.559 120.400 -0.127 0.000 2.062 740 K HA -0.063 4.257 4.320 0.001 0.000 0.205 740 K C 2.217 178.605 176.600 -0.354 0.000 1.051 740 K CA 1.072 57.152 56.287 -0.343 0.000 0.941 740 K CB -0.356 31.678 32.500 -0.777 0.000 0.719 740 K HN 0.225 nan 8.250 nan 0.000 0.440 741 A N 1.503 124.127 122.820 -0.326 0.000 1.873 741 A HA -0.176 4.144 4.320 0.001 0.000 0.218 741 A C 2.118 179.544 177.584 -0.263 0.000 1.193 741 A CA 1.765 53.641 52.037 -0.270 0.000 0.629 741 A CB -0.855 18.009 19.000 -0.227 0.000 0.826 741 A HN 0.349 nan 8.150 nan 0.000 0.447 742 L N -1.196 119.859 121.223 -0.280 0.000 2.201 742 L HA 0.094 4.434 4.340 0.001 0.000 0.212 742 L C 1.537 178.233 176.870 -0.291 0.000 1.105 742 L CA 0.535 55.192 54.840 -0.305 0.000 0.775 742 L CB -0.851 41.012 42.059 -0.326 0.000 0.913 742 L HN 0.647 nan 8.230 nan 0.000 0.440 743 G N 1.257 109.872 108.800 -0.308 0.000 2.422 743 G HA2 -0.235 3.726 3.960 0.001 0.000 0.290 743 G HA3 -0.235 3.726 3.960 0.001 0.000 0.290 743 G C -0.343 174.402 174.900 -0.258 0.000 1.059 743 G CA -0.302 44.651 45.100 -0.245 0.000 1.242 743 G HN 0.145 nan 8.290 nan 0.000 0.520 744 L N 0.145 121.120 121.223 -0.413 0.000 2.421 744 L HA 0.478 4.819 4.340 0.001 0.000 0.263 744 L C 0.996 177.795 176.870 -0.117 0.000 1.122 744 L CA -1.230 53.358 54.840 -0.421 0.000 0.804 744 L CB 0.562 42.024 42.059 -0.995 0.000 1.150 744 L HN 0.323 nan 8.230 nan 0.000 0.457 745 N N 0.859 119.608 118.700 0.082 0.000 2.407 745 N HA -0.084 4.657 4.740 0.001 0.000 0.250 745 N C 0.796 176.450 175.510 0.240 0.000 1.236 745 N CA 0.319 53.474 53.050 0.176 0.000 0.879 745 N CB 0.750 39.371 38.487 0.223 0.000 1.088 745 N HN 0.759 nan 8.380 nan 0.000 0.450 746 E N 3.125 123.427 120.200 0.170 0.000 2.230 746 E HA -0.094 4.256 4.350 0.001 0.000 0.192 746 E C 1.637 178.334 176.600 0.163 0.000 0.987 746 E CA 0.832 57.340 56.400 0.179 0.000 0.841 746 E CB -0.388 29.382 29.700 0.116 0.000 0.783 746 E HN 0.795 nan 8.360 nan 0.000 0.481 747 I N -1.120 119.531 120.570 0.135 0.000 2.761 747 I HA -0.020 4.151 4.170 0.001 0.000 0.261 747 I C 1.399 177.591 176.117 0.126 0.000 1.198 747 I CA 0.971 62.341 61.300 0.116 0.000 1.482 747 I CB -0.035 38.011 38.000 0.078 0.000 1.100 747 I HN -0.156 nan 8.210 nan 0.000 0.445 748 D N 0.275 120.741 120.400 0.110 0.000 2.201 748 D HA 0.046 4.686 4.640 0.001 0.000 0.209 748 D C -0.047 176.171 176.300 -0.138 0.000 0.961 748 D CA 1.116 55.088 54.000 -0.047 0.000 0.861 748 D CB 0.218 40.886 40.800 -0.219 0.000 0.997 748 D HN 0.336 nan 8.370 nan 0.000 0.486 749 Y N 0.330 120.712 120.300 0.137 0.000 2.393 749 Y HA 0.432 4.982 4.550 0.001 0.000 0.341 749 Y C 0.375 176.340 175.900 0.108 0.000 0.988 749 Y CA -0.701 57.442 58.100 0.072 0.000 1.078 749 Y CB 1.672 40.200 38.460 0.113 0.000 1.203 749 Y HN -0.477 nan 8.280 nan 0.000 0.453 750 K N 3.338 123.727 120.400 -0.019 0.000 2.507 750 K HA 0.264 4.584 4.320 0.001 0.000 0.251 750 K C -1.725 174.680 176.600 -0.325 0.000 0.943 750 K CA -0.778 55.399 56.287 -0.183 0.000 0.794 750 K CB 2.509 34.764 32.500 -0.408 0.000 1.188 750 K HN 0.627 nan 8.250 nan 0.000 0.428 751 F N 2.437 122.032 119.950 -0.593 0.000 2.405 751 F HA 0.259 4.787 4.527 0.001 0.000 0.358 751 F C 0.812 176.466 175.800 -0.242 0.000 1.151 751 F CA 0.134 57.798 58.000 -0.560 0.000 1.161 751 F CB 0.462 38.954 39.000 -0.847 0.000 1.245 751 F HN 0.661 nan 8.300 nan 0.000 0.545 752 G N 4.352 113.005 108.800 -0.245 0.000 2.510 752 G HA2 0.174 4.135 3.960 0.001 0.000 0.280 752 G HA3 0.174 4.135 3.960 0.001 0.000 0.280 752 G C 0.421 175.333 174.900 0.020 0.000 1.386 752 G CA -0.589 44.447 45.100 -0.106 0.000 1.047 752 G HN 0.663 nan 8.290 nan 0.000 0.527 753 L N -0.537 120.706 121.223 0.034 0.000 2.072 753 L HA 0.090 4.430 4.340 0.001 0.000 0.205 753 L C 2.748 179.706 176.870 0.146 0.000 1.079 753 L CA 2.948 57.847 54.840 0.098 0.000 0.752 753 L CB -0.261 41.821 42.059 0.039 0.000 0.906 753 L HN 0.694 nan 8.230 nan 0.000 0.436 754 T N -5.523 108.992 114.554 -0.065 0.000 2.958 754 T HA 0.285 4.635 4.350 0.001 0.000 0.256 754 T C 0.610 174.626 174.700 -1.140 0.000 0.983 754 T CA -0.344 61.549 62.100 -0.344 0.000 0.924 754 T CB 0.433 69.192 68.868 -0.181 0.000 1.136 754 T HN 0.059 nan 8.240 nan 0.000 0.506 755 K N 0.705 120.625 120.400 -0.800 0.000 2.482 755 K HA 0.713 5.034 4.320 0.001 0.000 0.257 755 K C -1.629 174.623 176.600 -0.579 0.000 0.969 755 K CA -0.893 54.904 56.287 -0.817 0.000 0.842 755 K CB 3.227 35.358 32.500 -0.614 0.000 1.359 755 K HN -0.095 nan 8.250 nan 0.000 0.441 756 V N 2.714 122.288 119.914 -0.566 0.000 2.439 756 V HA 0.400 4.520 4.120 0.001 0.000 0.282 756 V C -0.714 174.988 176.094 -0.653 0.000 1.039 756 V CA -0.478 61.509 62.300 -0.520 0.000 0.913 756 V CB 0.255 31.800 31.823 -0.463 0.000 0.983 756 V HN 0.518 nan 8.190 nan 0.000 0.460 757 F N 4.159 123.688 119.950 -0.701 0.000 2.458 757 F HA 0.741 5.269 4.527 0.001 0.000 0.330 757 F C -0.223 175.159 175.800 -0.696 0.000 1.082 757 F CA -0.481 57.176 58.000 -0.571 0.000 0.995 757 F CB 1.677 40.244 39.000 -0.722 0.000 1.170 757 F HN 0.306 nan 8.300 nan 0.000 0.478 758 F N 1.266 121.266 119.950 0.082 0.000 2.576 758 F HA 0.556 5.083 4.527 0.001 0.000 0.313 758 F C 0.095 176.044 175.800 0.249 0.000 1.078 758 F CA -1.296 56.750 58.000 0.075 0.000 0.921 758 F CB 1.320 40.308 39.000 -0.020 0.000 1.232 758 F HN 0.203 nan 8.300 nan 0.000 0.459 759 R N 1.051 121.742 120.500 0.318 0.000 2.649 759 R HA 0.311 4.652 4.340 0.001 0.000 0.270 759 R C -2.550 173.825 176.300 0.125 0.000 1.105 759 R CA -1.859 54.334 56.100 0.155 0.000 1.193 759 R CB -0.068 30.255 30.300 0.039 0.000 1.120 759 R HN 0.207 nan 8.270 nan 0.000 0.561 760 P HA -0.019 nan 4.420 nan 0.000 0.260 760 P C 0.236 177.599 177.300 0.105 0.000 1.185 760 P CA 1.005 64.167 63.100 0.103 0.000 0.763 760 P CB 0.106 31.862 31.700 0.093 0.000 0.776 761 G N 3.066 111.923 108.800 0.095 0.000 2.221 761 G HA2 -0.262 3.698 3.960 0.001 0.000 0.265 761 G HA3 -0.262 3.698 3.960 0.001 0.000 0.265 761 G C 0.890 175.824 174.900 0.057 0.000 1.041 761 G CA -0.100 45.047 45.100 0.079 0.000 0.807 761 G HN 0.488 nan 8.290 nan 0.000 0.502 762 K N -1.164 119.261 120.400 0.041 0.000 2.399 762 K HA 0.279 4.599 4.320 0.001 0.000 0.196 762 K C 1.691 178.387 176.600 0.161 0.000 1.103 762 K CA -0.165 56.167 56.287 0.075 0.000 0.986 762 K CB -0.038 32.377 32.500 -0.142 0.000 0.952 762 K HN 0.302 nan 8.250 nan 0.000 0.541 763 F N 2.645 122.356 119.950 -0.399 0.000 2.216 763 F HA -0.061 4.466 4.527 0.001 0.000 0.300 763 F C 2.014 177.678 175.800 -0.227 0.000 1.085 763 F CA 0.734 58.262 58.000 -0.787 0.000 1.326 763 F CB -0.320 38.130 39.000 -0.917 0.000 1.027 763 F HN -0.023 nan 8.300 nan 0.000 0.497 764 A N -0.549 122.267 122.820 -0.006 0.000 1.929 764 A HA -0.172 4.149 4.320 0.001 0.000 0.216 764 A C 2.247 179.917 177.584 0.143 0.000 1.176 764 A CA 1.459 53.490 52.037 -0.011 0.000 0.628 764 A CB -0.815 18.101 19.000 -0.140 0.000 0.816 764 A HN 0.456 nan 8.150 nan 0.000 0.444 765 E N -1.255 119.063 120.200 0.197 0.000 2.072 765 E HA -0.190 4.161 4.350 0.001 0.000 0.191 765 E C 1.732 178.496 176.600 0.274 0.000 0.985 765 E CA 1.180 57.721 56.400 0.236 0.000 0.801 765 E CB -0.255 29.613 29.700 0.281 0.000 0.750 765 E HN 0.558 nan 8.360 nan 0.000 0.452 766 F N 1.931 122.035 119.950 0.257 0.000 2.095 766 F HA -0.210 4.318 4.527 0.001 0.000 0.298 766 F C 1.899 177.749 175.800 0.083 0.000 1.104 766 F CA 2.190 60.292 58.000 0.170 0.000 1.232 766 F CB -0.357 38.818 39.000 0.293 0.000 0.987 766 F HN 0.066 nan 8.300 nan 0.000 0.475 767 D N -0.824 119.713 120.400 0.228 0.000 2.219 767 D HA -0.163 4.478 4.640 0.001 0.000 0.205 767 D C 2.027 178.349 176.300 0.037 0.000 0.970 767 D CA 0.910 55.021 54.000 0.186 0.000 0.851 767 D CB -0.084 40.899 40.800 0.306 0.000 0.943 767 D HN 0.263 nan 8.370 nan 0.000 0.488 768 Q N -0.402 119.408 119.800 0.017 0.000 2.269 768 Q HA 0.071 4.411 4.340 0.001 0.000 0.201 768 Q C 2.288 178.238 176.000 -0.083 0.000 0.946 768 Q CA 0.277 56.074 55.803 -0.011 0.000 0.877 768 Q CB 0.190 28.945 28.738 0.029 0.000 0.963 768 Q HN 0.469 nan 8.270 nan 0.000 0.472 769 I N 0.309 120.788 120.570 -0.150 0.000 2.394 769 I HA -0.242 3.928 4.170 0.001 0.000 0.251 769 I C 1.953 177.901 176.117 -0.281 0.000 1.136 769 I CA 0.777 61.950 61.300 -0.210 0.000 1.425 769 I CB -0.085 37.746 38.000 -0.282 0.000 1.079 769 I HN 0.151 nan 8.210 nan 0.000 0.425 770 M N -0.086 119.295 119.600 -0.364 0.000 2.419 770 M HA -0.064 4.417 4.480 0.001 0.000 0.264 770 M C 1.742 177.847 176.300 -0.324 0.000 1.082 770 M CA 1.535 56.632 55.300 -0.338 0.000 1.119 770 M CB -0.648 31.732 32.600 -0.367 0.000 1.398 770 M HN 0.212 nan 8.290 nan 0.000 0.453 771 K N -0.773 119.485 120.400 -0.237 0.000 2.435 771 K HA 0.136 4.457 4.320 0.001 0.000 0.199 771 K C 1.904 178.407 176.600 -0.163 0.000 1.153 771 K CA 0.697 56.830 56.287 -0.258 0.000 0.974 771 K CB 0.397 32.813 32.500 -0.140 0.000 0.997 771 K HN 0.249 nan 8.250 nan 0.000 0.547 772 S N 0.642 116.274 115.700 -0.112 0.000 2.436 772 S HA -0.047 4.423 4.470 0.001 0.000 0.228 772 S C 0.575 175.137 174.600 -0.063 0.000 1.014 772 S CA 0.760 58.917 58.200 -0.070 0.000 0.950 772 S CB 0.124 63.297 63.200 -0.044 0.000 0.784 772 S HN 0.054 nan 8.310 nan 0.000 0.504 773 D N 1.218 121.577 120.400 -0.069 0.000 2.517 773 D HA 0.397 5.037 4.640 0.001 0.000 0.263 773 D C -2.470 173.808 176.300 -0.037 0.000 1.233 773 D CA -1.923 52.058 54.000 -0.030 0.000 0.849 773 D CB 1.570 42.386 40.800 0.027 0.000 1.261 773 D HN -0.013 nan 8.370 nan 0.000 0.516 774 P HA -0.035 nan 4.420 nan 0.000 0.220 774 P C 0.830 178.113 177.300 -0.028 0.000 1.148 774 P CA 0.730 63.788 63.100 -0.070 0.000 0.803 774 P CB 0.624 32.282 31.700 -0.070 0.000 0.782 775 D N -2.111 118.288 120.400 -0.002 0.000 2.162 775 D HA -0.139 4.501 4.640 0.001 0.000 0.203 775 D C 1.885 178.220 176.300 0.057 0.000 0.967 775 D CA 1.111 55.121 54.000 0.017 0.000 0.840 775 D CB -0.764 40.043 40.800 0.011 0.000 0.972 775 D HN 0.217 nan 8.370 nan 0.000 0.482 776 H N 0.788 119.821 119.070 -0.061 0.000 2.321 776 H HA -0.061 4.496 4.556 0.001 0.000 0.300 776 H C 1.974 177.255 175.328 -0.078 0.000 1.087 776 H CA 0.973 56.981 56.048 -0.067 0.000 1.319 776 H CB -0.472 29.245 29.762 -0.075 0.000 1.379 776 H HN 0.060 nan 8.280 nan 0.000 0.501 777 L N 0.376 121.512 121.223 -0.145 0.000 2.046 777 L HA -0.003 4.337 4.340 0.001 0.000 0.208 777 L C 2.436 179.218 176.870 -0.147 0.000 1.077 777 L CA 1.981 56.685 54.840 -0.228 0.000 0.747 777 L CB -1.199 40.754 42.059 -0.178 0.000 0.896 777 L HN 0.319 nan 8.230 nan 0.000 0.432 778 A N -0.901 121.875 122.820 -0.074 0.000 1.972 778 A HA -0.226 4.094 4.320 0.001 0.000 0.219 778 A C 2.243 179.802 177.584 -0.040 0.000 1.169 778 A CA 1.702 53.715 52.037 -0.040 0.000 0.635 778 A CB -0.601 18.392 19.000 -0.012 0.000 0.810 778 A HN 0.542 nan 8.150 nan 0.000 0.446 779 E N -0.008 120.169 120.200 -0.039 0.000 2.158 779 E HA -0.012 4.339 4.350 0.001 0.000 0.191 779 E C 1.732 178.295 176.600 -0.061 0.000 0.982 779 E CA 0.798 57.184 56.400 -0.023 0.000 0.823 779 E CB -0.354 29.361 29.700 0.025 0.000 0.766 779 E HN 0.585 nan 8.360 nan 0.000 0.468 780 L N -0.623 120.518 121.223 -0.136 0.000 2.156 780 L HA -0.083 4.258 4.340 0.001 0.000 0.208 780 L C 2.232 179.023 176.870 -0.132 0.000 1.095 780 L CA 0.475 55.214 54.840 -0.169 0.000 0.770 780 L CB -0.161 41.722 42.059 -0.293 0.000 0.914 780 L HN 0.058 nan 8.230 nan 0.000 0.439 781 V N -0.538 119.309 119.914 -0.112 0.000 2.453 781 V HA -0.204 3.916 4.120 0.001 0.000 0.247 781 V C 2.594 178.668 176.094 -0.032 0.000 1.048 781 V CA 1.308 63.561 62.300 -0.078 0.000 1.049 781 V CB -0.445 31.338 31.823 -0.067 0.000 0.672 781 V HN 0.356 nan 8.190 nan 0.000 0.457 782 K N 0.401 120.787 120.400 -0.023 0.000 2.103 782 K HA -0.142 4.179 4.320 0.001 0.000 0.207 782 K C 2.241 178.848 176.600 0.011 0.000 1.048 782 K CA 1.284 57.572 56.287 0.003 0.000 0.930 782 K CB -0.165 32.337 32.500 0.003 0.000 0.716 782 K HN 0.343 nan 8.250 nan 0.000 0.444 783 R N -0.068 120.426 120.500 -0.010 0.000 2.235 783 R HA -0.028 4.312 4.340 0.001 0.000 0.213 783 R C 1.716 178.023 176.300 0.012 0.000 1.059 783 R CA 0.428 56.526 56.100 -0.004 0.000 0.997 783 R CB 0.011 30.293 30.300 -0.031 0.000 0.884 783 R HN -0.003 nan 8.270 nan 0.000 0.462 784 V N 1.198 121.116 119.914 0.006 0.000 3.376 784 V HA 0.005 4.126 4.120 0.001 0.000 0.313 784 V C 1.250 177.435 176.094 0.150 0.000 1.393 784 V CA 0.173 62.495 62.300 0.037 0.000 1.125 784 V CB -0.130 31.640 31.823 -0.088 0.000 1.037 784 V HN 0.183 nan 8.190 nan 0.000 0.440 785 N N 0.527 119.303 118.700 0.127 0.000 2.309 785 N HA -0.221 4.520 4.740 0.001 0.000 0.182 785 N C 1.739 177.355 175.510 0.176 0.000 1.018 785 N CA 1.988 55.119 53.050 0.135 0.000 0.876 785 N CB -0.147 38.400 38.487 0.100 0.000 0.972 785 N HN 0.760 nan 8.380 nan 0.000 0.434 786 H N -1.592 117.555 119.070 0.128 0.000 2.333 786 H HA -0.077 4.480 4.556 0.001 0.000 0.302 786 H C 1.808 177.239 175.328 0.171 0.000 1.075 786 H CA 1.958 58.083 56.048 0.128 0.000 1.348 786 H CB -0.740 29.084 29.762 0.104 0.000 1.393 786 H HN 0.435 nan 8.280 nan 0.000 0.509 787 W N 0.457 121.688 121.300 -0.116 0.000 2.350 787 W HA -0.216 4.445 4.660 0.001 0.000 0.289 787 W C 1.955 178.393 176.519 -0.135 0.000 1.215 787 W CA 1.615 58.866 57.345 -0.156 0.000 1.236 787 W CB -0.267 29.161 29.460 -0.054 0.000 1.130 787 W HN 0.388 nan 8.180 nan 0.000 0.541 788 L N 0.861 122.197 121.223 0.188 0.000 2.109 788 L HA -0.027 4.313 4.340 0.001 0.000 0.207 788 L C 2.743 179.549 176.870 -0.106 0.000 1.086 788 L CA 2.463 57.322 54.840 0.031 0.000 0.760 788 L CB -1.442 40.717 42.059 0.166 0.000 0.910 788 L HN 0.146 nan 8.230 nan 0.000 0.437 789 I N -1.824 118.711 120.570 -0.058 0.000 2.226 789 I HA -0.302 3.869 4.170 0.001 0.000 0.245 789 I C 2.636 178.765 176.117 0.020 0.000 1.100 789 I CA 2.301 63.591 61.300 -0.016 0.000 1.374 789 I CB -1.920 36.119 38.000 0.066 0.000 1.057 789 I HN 0.574 nan 8.210 nan 0.000 0.413 790 C N -0.488 118.718 119.300 -0.156 0.000 2.440 790 C HA -0.084 4.377 4.460 0.001 0.000 0.278 790 C C 3.343 178.201 174.990 -0.220 0.000 1.295 790 C CA 1.805 60.720 59.018 -0.171 0.000 1.738 790 C CB -0.886 26.623 27.740 -0.385 0.000 1.987 790 C HN 0.761 nan 8.230 nan 0.000 0.492 791 S N -0.228 115.199 115.700 -0.455 0.000 2.387 791 S HA -0.112 4.359 4.470 0.001 0.000 0.226 791 S C 2.115 176.567 174.600 -0.247 0.000 1.026 791 S CA 1.058 58.941 58.200 -0.527 0.000 0.972 791 S CB -0.288 62.353 63.200 -0.932 0.000 0.814 791 S HN 0.630 nan 8.310 nan 0.000 0.477 792 R N -1.326 119.069 120.500 -0.175 0.000 2.193 792 R HA 0.029 4.370 4.340 0.001 0.000 0.213 792 R C 1.848 178.091 176.300 -0.096 0.000 1.055 792 R CA 0.902 56.920 56.100 -0.136 0.000 0.995 792 R CB -0.160 30.042 30.300 -0.164 0.000 0.893 792 R HN 0.522 nan 8.270 nan 0.000 0.459 793 W N 0.932 122.172 121.300 -0.100 0.000 2.413 793 W HA -0.076 4.584 4.660 0.001 0.000 0.315 793 W C 1.976 178.493 176.519 -0.003 0.000 1.186 793 W CA 0.950 58.263 57.345 -0.052 0.000 1.326 793 W CB 0.115 29.538 29.460 -0.062 0.000 1.153 793 W HN -0.068 nan 8.180 nan 0.000 0.489 794 K N 0.316 120.885 120.400 0.282 0.000 2.280 794 K HA -0.199 4.121 4.320 0.001 0.000 0.202 794 K C 1.781 178.538 176.600 0.263 0.000 1.047 794 K CA 1.203 57.678 56.287 0.314 0.000 0.942 794 K CB -0.234 32.349 32.500 0.139 0.000 0.739 794 K HN 0.128 nan 8.250 nan 0.000 0.457 795 K N 1.254 121.710 120.400 0.093 0.000 2.025 795 K HA -0.118 4.203 4.320 0.001 0.000 0.207 795 K C 2.001 178.655 176.600 0.091 0.000 1.049 795 K CA 1.363 57.676 56.287 0.044 0.000 0.933 795 K CB 0.136 32.617 32.500 -0.033 0.000 0.714 795 K HN 0.095 nan 8.250 nan 0.000 0.438 796 V N -1.451 118.506 119.914 0.071 0.000 2.951 796 V HA -0.066 4.055 4.120 0.001 0.000 0.255 796 V C 1.868 178.021 176.094 0.097 0.000 1.088 796 V CA 0.926 63.257 62.300 0.052 0.000 1.109 796 V CB -0.411 31.398 31.823 -0.023 0.000 0.724 796 V HN 0.267 nan 8.190 nan 0.000 0.471 797 Q N -0.631 119.271 119.800 0.170 0.000 2.049 797 Q HA -0.077 4.263 4.340 0.001 0.000 0.198 797 Q C 1.920 177.936 176.000 0.027 0.000 0.971 797 Q CA 2.088 57.959 55.803 0.114 0.000 0.833 797 Q CB -0.196 28.630 28.738 0.146 0.000 0.896 797 Q HN 0.786 nan 8.270 nan 0.000 0.434 798 W N -0.687 120.620 121.300 0.011 0.000 2.678 798 W HA -0.048 4.612 4.660 0.001 0.000 0.256 798 W C 2.192 178.706 176.519 -0.008 0.000 1.280 798 W CA -0.061 57.281 57.345 -0.005 0.000 1.345 798 W CB -0.379 29.072 29.460 -0.016 0.000 1.118 798 W HN 0.262 nan 8.180 nan 0.000 0.629 799 C N 0.090 119.499 119.300 0.182 0.000 2.467 799 C HA -0.082 4.379 4.460 0.001 0.000 0.279 799 C C 3.003 178.024 174.990 0.052 0.000 1.347 799 C CA 1.651 60.729 59.018 0.099 0.000 1.748 799 C CB -1.389 26.392 27.740 0.067 0.000 1.977 799 C HN 0.338 nan 8.230 nan 0.000 0.501 800 S N 0.273 115.992 115.700 0.031 0.000 2.414 800 S HA -0.097 4.374 4.470 0.001 0.000 0.227 800 S C 1.838 176.424 174.600 -0.023 0.000 1.022 800 S CA 1.317 59.518 58.200 0.001 0.000 0.958 800 S CB -0.799 62.399 63.200 -0.004 0.000 0.797 800 S HN 0.659 nan 8.310 nan 0.000 0.493 801 L N 1.363 122.554 121.223 -0.053 0.000 2.291 801 L HA 0.081 4.422 4.340 0.001 0.000 0.214 801 L C 2.237 179.089 176.870 -0.030 0.000 1.120 801 L CA 1.010 55.796 54.840 -0.089 0.000 0.799 801 L CB -0.338 41.589 42.059 -0.220 0.000 0.925 801 L HN 0.287 nan 8.230 nan 0.000 0.446 802 S N -1.318 114.394 115.700 0.019 0.000 2.377 802 S HA -0.104 4.367 4.470 0.001 0.000 0.223 802 S C 1.824 176.431 174.600 0.013 0.000 1.030 802 S CA 1.225 59.447 58.200 0.036 0.000 0.970 802 S CB -0.054 63.185 63.200 0.065 0.000 0.830 802 S HN 0.295 nan 8.310 nan 0.000 0.473 803 V N 1.947 121.866 119.914 0.008 0.000 2.427 803 V HA -0.107 4.014 4.120 0.001 0.000 0.248 803 V C 1.950 178.041 176.094 -0.005 0.000 1.051 803 V CA 1.378 63.679 62.300 0.003 0.000 1.048 803 V CB -0.562 31.262 31.823 0.002 0.000 0.666 803 V HN 0.436 nan 8.190 nan 0.000 0.456 804 I N -0.628 119.934 120.570 -0.013 0.000 2.439 804 I HA -0.197 3.973 4.170 0.001 0.000 0.251 804 I C 2.437 178.542 176.117 -0.020 0.000 1.139 804 I CA 1.402 62.690 61.300 -0.019 0.000 1.438 804 I CB -0.248 37.733 38.000 -0.032 0.000 1.085 804 I HN 0.198 nan 8.210 nan 0.000 0.427 805 K N 0.489 120.876 120.400 -0.021 0.000 2.288 805 K HA 0.005 4.326 4.320 0.001 0.000 0.201 805 K C 1.868 178.454 176.600 -0.024 0.000 1.048 805 K CA 0.848 57.119 56.287 -0.026 0.000 0.956 805 K CB 0.144 32.631 32.500 -0.022 0.000 0.746 805 K HN 0.293 nan 8.250 nan 0.000 0.461 806 L N 0.317 121.533 121.223 -0.011 0.000 2.446 806 L HA -0.007 4.333 4.340 0.001 0.000 0.219 806 L C 2.322 179.192 176.870 0.000 0.000 1.116 806 L CA 0.516 55.352 54.840 -0.007 0.000 0.844 806 L CB -0.113 41.946 42.059 -0.000 0.000 0.970 806 L HN 0.055 nan 8.230 nan 0.000 0.457 807 K N 0.713 121.113 120.400 -0.000 0.000 2.062 807 K HA -0.114 4.207 4.320 0.001 0.000 0.205 807 K C 1.533 178.142 176.600 0.014 0.000 1.051 807 K CA 1.222 57.512 56.287 0.006 0.000 0.941 807 K CB 0.136 32.637 32.500 0.002 0.000 0.719 807 K HN 0.224 nan 8.250 nan 0.000 0.440 808 N N 0.914 119.618 118.700 0.007 0.000 2.381 808 N HA -0.111 4.629 4.740 0.001 0.000 0.182 808 N C 1.765 177.293 175.510 0.030 0.000 1.025 808 N CA 1.535 54.596 53.050 0.018 0.000 0.888 808 N CB -0.115 38.368 38.487 -0.007 0.000 0.965 808 N HN 0.309 nan 8.380 nan 0.000 0.438 809 K N 0.748 121.149 120.400 0.002 0.000 2.076 809 K HA 0.131 4.452 4.320 0.001 0.000 0.204 809 K C 1.944 178.588 176.600 0.073 0.000 1.051 809 K CA 0.742 57.031 56.287 0.003 0.000 0.949 809 K CB -0.919 31.564 32.500 -0.028 0.000 0.726 809 K HN 0.154 nan 8.250 nan 0.000 0.443 810 I N 1.328 121.929 120.570 0.051 0.000 2.286 810 I HA -0.223 3.947 4.170 0.001 0.000 0.248 810 I C 3.169 179.325 176.117 0.065 0.000 1.115 810 I CA 1.859 63.190 61.300 0.051 0.000 1.392 810 I CB -0.134 37.885 38.000 0.030 0.000 1.065 810 I HN 0.475 nan 8.210 nan 0.000 0.418 811 K N 0.073 120.518 120.400 0.075 0.000 2.044 811 K HA -0.192 4.129 4.320 0.001 0.000 0.204 811 K C 1.962 178.625 176.600 0.106 0.000 1.049 811 K CA 1.238 57.568 56.287 0.072 0.000 0.945 811 K CB -1.496 31.040 32.500 0.059 0.000 0.724 811 K HN 0.415 nan 8.250 nan 0.000 0.440 812 Y N 1.295 121.594 120.300 -0.002 0.000 2.165 812 Y HA -0.183 4.367 4.550 0.001 0.000 0.286 812 Y C 2.456 178.355 175.900 -0.001 0.000 1.155 812 Y CA 1.925 60.024 58.100 -0.002 0.000 1.164 812 Y CB 0.067 38.526 38.460 -0.001 0.000 0.978 812 Y HN 0.177 nan 8.280 nan 0.000 0.513 813 R N -0.275 120.382 120.500 0.260 0.000 2.062 813 R HA -0.034 4.307 4.340 0.001 0.000 0.229 813 R C 2.280 178.601 176.300 0.034 0.000 1.128 813 R CA 1.048 57.233 56.100 0.143 0.000 0.960 813 R CB -0.604 29.782 30.300 0.142 0.000 0.855 813 R HN 0.392 nan 8.270 nan 0.000 0.432 814 A N 0.516 123.358 122.820 0.037 0.000 2.239 814 A HA -0.086 4.235 4.320 0.001 0.000 0.209 814 A C 1.590 179.166 177.584 -0.014 0.000 1.171 814 A CA 0.900 52.943 52.037 0.010 0.000 0.768 814 A CB -0.070 18.940 19.000 0.018 0.000 0.790 814 A HN 0.170 nan 8.150 nan 0.000 0.478 815 E N -0.312 119.864 120.200 -0.040 0.000 2.140 815 E HA 0.173 4.523 4.350 0.001 0.000 0.191 815 E C 2.082 178.631 176.600 -0.086 0.000 0.973 815 E CA 1.052 57.411 56.400 -0.068 0.000 0.829 815 E CB -0.184 29.456 29.700 -0.101 0.000 0.781 815 E HN 0.489 nan 8.360 nan 0.000 0.466 816 A N -0.118 122.635 122.820 -0.111 0.000 2.016 816 A HA -0.030 4.290 4.320 0.001 0.000 0.217 816 A C 2.232 179.785 177.584 -0.051 0.000 1.162 816 A CA 1.262 53.243 52.037 -0.094 0.000 0.662 816 A CB -0.790 18.139 19.000 -0.118 0.000 0.812 816 A HN 0.541 nan 8.150 nan 0.000 0.450 817 C N -0.973 118.306 119.300 -0.035 0.000 2.697 817 C HA 0.654 5.115 4.460 0.001 0.000 0.267 817 C C 1.720 176.700 174.990 -0.016 0.000 1.278 817 C CA 0.760 59.767 59.018 -0.018 0.000 1.708 817 C CB -1.169 26.567 27.740 -0.006 0.000 1.860 817 C HN 0.617 nan 8.230 nan 0.000 0.589 818 I N -1.389 119.168 120.570 -0.022 0.000 4.009 818 I HA 0.695 4.865 4.170 0.001 0.000 0.331 818 I C 1.466 177.569 176.117 -0.023 0.000 1.462 818 I CA 1.249 62.538 61.300 -0.018 0.000 1.117 818 I CB -1.184 36.808 38.000 -0.015 0.000 1.091 818 I HN 0.363 nan 8.210 nan 0.000 0.410 819 K N 0.734 121.116 120.400 -0.031 0.000 2.646 819 K HA 0.528 4.849 4.320 0.001 0.000 0.206 819 K C 0.994 177.577 176.600 -0.029 0.000 1.069 819 K CA 0.501 56.769 56.287 -0.032 0.000 1.067 819 K CB -0.420 32.053 32.500 -0.044 0.000 0.807 819 K HN 0.798 nan 8.250 nan 0.000 0.482 820 M N 0.144 119.730 119.600 -0.023 0.000 2.561 820 M HA -0.023 4.457 4.480 0.001 0.000 0.238 820 M C 1.515 177.806 176.300 -0.014 0.000 1.131 820 M CA 0.953 56.242 55.300 -0.018 0.000 1.046 820 M CB -0.069 32.522 32.600 -0.015 0.000 1.532 820 M HN 0.425 nan 8.290 nan 0.000 0.497 821 Q N 0.945 120.737 119.800 -0.014 0.000 2.439 821 Q HA -0.119 4.221 4.340 0.001 0.000 0.211 821 Q C 1.712 177.706 176.000 -0.010 0.000 0.978 821 Q CA 1.920 57.716 55.803 -0.011 0.000 0.897 821 Q CB -1.216 27.515 28.738 -0.012 0.000 0.956 821 Q HN 0.718 nan 8.270 nan 0.000 0.483 822 K N 1.168 121.561 120.400 -0.012 0.000 2.293 822 K HA -0.187 4.134 4.320 0.001 0.000 0.204 822 K C 2.075 178.670 176.600 -0.008 0.000 1.045 822 K CA 2.212 58.493 56.287 -0.010 0.000 0.933 822 K CB -1.610 30.883 32.500 -0.012 0.000 0.736 822 K HN 0.751 nan 8.250 nan 0.000 0.463 823 T N 0.905 115.454 114.554 -0.008 0.000 2.904 823 T HA 0.248 4.598 4.350 0.001 0.000 0.243 823 T C 2.165 176.861 174.700 -0.005 0.000 1.024 823 T CA 1.455 63.551 62.100 -0.006 0.000 1.158 823 T CB -0.359 68.506 68.868 -0.006 0.000 0.867 823 T HN 0.631 nan 8.240 nan 0.000 0.429 824 I N 0.047 120.613 120.570 -0.006 0.000 2.185 824 I HA 0.210 4.381 4.170 0.001 0.000 0.246 824 I C 1.367 177.482 176.117 -0.004 0.000 1.088 824 I CA 1.473 62.770 61.300 -0.005 0.000 1.347 824 I CB -0.825 37.172 38.000 -0.005 0.000 1.041 824 I HN 0.595 nan 8.210 nan 0.000 0.415 825 R N 0.000 120.497 120.500 -0.005 0.000 2.786 825 R HA 0.000 4.341 4.340 0.001 0.000 0.208 825 R CA 0.000 56.097 56.100 -0.004 0.000 0.921 825 R CB 0.000 30.298 30.300 -0.004 0.000 0.687 825 R HN 0.000 nan 8.270 nan 0.000 0.535