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 3opb_1_A DATA FIRST_RESID 2 DATA SEQUENCE PLSEKGNDPI DSSTIDSLCA AFDKTLKSTP DVQKYNDAIN TIFQLRQKSE DATA SEQUENCE SGKMPADLTN SEALKDRQKI EEILTRSYQD HSESRVHLSK LIQNDIPFAL DATA SEQUENCE NLFEILSRSS IHVFVGCFSN KDATIALLNE LQIRIHYGED THVTYLLSII DATA SEQUENCE LQLLNKFKYN FKEVRFLVKE LILRISEDEV KSMMLIIFAE LQSSFQKDFD DATA SEQUENCE KAVVDFMSSL IVEAEIDVGN DPLSIIVKTL SELYPSLTTL CSEIFLTKGL DATA SEQUENCE SKLFKKRVFE EQDLQFTKEL LRLLSSACID ETMRTYITEN YLQLLERSLN DATA SEQUENCE VEDVQIYSAL VLVKTWSFTK LTCINLKQLS EIFINAISRR IVPKVEMSVE DATA SEQUENCE ALAYLSLKAS VKIMIRSNES FTEILLTMIK SQKMTHCLYG LLVIMANLST DATA SEQUENCE LPEEXXXX?? ????XXXXXX XXXXXXXXVG AEKAAKEDIL LFNEKYILRT DATA SEQUENCE ELISFLKREM HNLSPNCKQQ VVRIIYNITR SKNFIPQLAQ QGAVKIILEY DATA SEQUENCE LANKXXXGEP IRILGCRALT RMLIFTNPGL IFKKYSALNA IPFLFELLPR DATA SEQUENCE STPVDDNPXX XDEQIKLTDN YEALLALTNL ASSETSDGEE VCKHIVSTKV DATA SEQUENCE YWSTIENLML DENVPLQRST LELISNMMSH PLTIAAKFFN LENPQSLRNF DATA SEQUENCE NILVKLLQLS DVESQRAVAA IFANIATTIP LIAKELLTKK ELIENAIQVF DATA SEQUENCE ADQIDDIELR QRLLMLFFGL FEVIPDNGTN EVYPLLQENQ KLKDALNMSL DATA SEQUENCE KRGDSGPEFS AAIPVILAKI K 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 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.302 177.300 0.004 0.000 1.155 2 P CA 0.000 63.102 63.100 0.004 0.000 0.800 2 P CB 0.000 31.703 31.700 0.005 0.000 0.726 3 L N -0.552 120.674 121.223 0.005 0.000 3.066 3 L HA 0.103 4.439 4.340 -0.007 0.000 0.272 3 L C 1.010 177.882 176.870 0.005 0.000 1.101 3 L CA 1.058 55.900 54.840 0.004 0.000 1.022 3 L CB 0.395 42.456 42.059 0.004 0.000 1.600 3 L HN 0.523 nan 8.230 nan 0.000 0.559 4 S N -2.148 113.556 115.700 0.006 0.000 2.540 4 S HA 0.144 4.610 4.470 -0.007 0.000 0.218 4 S C 0.965 175.569 174.600 0.006 0.000 0.977 4 S CA -0.301 57.903 58.200 0.007 0.000 0.918 4 S CB 0.160 63.365 63.200 0.009 0.000 0.806 4 S HN 0.362 nan 8.310 nan 0.000 0.496 5 E N 1.186 121.390 120.200 0.005 0.000 2.474 5 E HA 0.124 4.470 4.350 -0.007 0.000 0.195 5 E C 0.319 176.921 176.600 0.003 0.000 1.039 5 E CA -0.020 56.382 56.400 0.004 0.000 0.881 5 E CB 0.240 29.943 29.700 0.004 0.000 0.970 5 E HN 0.448 nan 8.360 nan 0.000 0.486 6 K N 1.302 121.704 120.400 0.003 0.000 2.244 6 K HA 0.363 4.679 4.320 -0.007 0.000 0.263 6 K C -0.400 176.201 176.600 0.003 0.000 1.103 6 K CA -0.065 56.224 56.287 0.003 0.000 0.966 6 K CB 0.322 32.824 32.500 0.003 0.000 1.429 6 K HN 0.142 nan 8.250 nan 0.000 0.434 7 G N 2.516 111.317 108.800 0.002 0.000 2.341 7 G HA2 -0.121 3.835 3.960 -0.007 0.000 0.293 7 G HA3 -0.121 3.835 3.960 -0.007 0.000 0.293 7 G C -0.592 174.309 174.900 0.002 0.000 1.298 7 G CA -0.852 44.249 45.100 0.002 0.000 0.868 7 G HN 0.509 nan 8.290 nan 0.000 0.540 8 N N -0.225 118.476 118.700 0.002 0.000 2.416 8 N HA 0.132 4.868 4.740 -0.007 0.000 0.177 8 N C 0.217 175.729 175.510 0.002 0.000 1.036 8 N CA 0.871 53.922 53.050 0.002 0.000 0.901 8 N CB 0.507 38.995 38.487 0.002 0.000 0.976 8 N HN 0.369 nan 8.380 nan 0.000 0.444 9 D N 0.468 120.870 120.400 0.003 0.000 2.634 9 D HA 0.257 4.893 4.640 -0.007 0.000 0.318 9 D C -2.569 173.734 176.300 0.004 0.000 1.226 9 D CA -2.127 51.876 54.000 0.004 0.000 0.899 9 D CB 0.242 41.044 40.800 0.004 0.000 1.025 9 D HN -0.014 nan 8.370 nan 0.000 0.501 10 P HA 0.061 nan 4.420 nan 0.000 0.266 10 P C 0.440 177.744 177.300 0.005 0.000 1.193 10 P CA -0.133 62.970 63.100 0.004 0.000 0.770 10 P CB 0.886 32.589 31.700 0.004 0.000 0.836 11 I N 1.077 121.651 120.570 0.007 0.000 4.102 11 I HA 0.030 4.196 4.170 -0.007 0.000 0.325 11 I C -0.274 175.848 176.117 0.008 0.000 1.471 11 I CA -0.015 61.290 61.300 0.008 0.000 1.133 11 I CB -0.924 37.083 38.000 0.011 0.000 1.184 11 I HN 0.506 nan 8.210 nan 0.000 0.451 12 D N 1.598 122.002 120.400 0.006 0.000 3.665 12 D HA -0.216 4.420 4.640 -0.007 0.000 0.206 12 D C 1.045 177.349 176.300 0.007 0.000 1.080 12 D CA 0.806 54.810 54.000 0.006 0.000 1.080 12 D CB -0.782 40.021 40.800 0.004 0.000 0.781 12 D HN 0.458 nan 8.370 nan 0.000 0.401 13 S N 0.937 116.641 115.700 0.008 0.000 2.523 13 S HA -0.258 4.208 4.470 -0.007 0.000 0.264 13 S C 1.561 176.168 174.600 0.010 0.000 0.978 13 S CA 1.290 59.496 58.200 0.010 0.000 0.963 13 S CB -0.104 63.101 63.200 0.009 0.000 0.737 13 S HN 0.512 nan 8.310 nan 0.000 0.528 14 S N 1.236 116.941 115.700 0.008 0.000 2.388 14 S HA 0.002 4.468 4.470 -0.007 0.000 0.223 14 S C 1.893 176.497 174.600 0.006 0.000 1.034 14 S CA 1.077 59.281 58.200 0.006 0.000 0.963 14 S CB -0.555 62.647 63.200 0.003 0.000 0.827 14 S HN 0.668 nan 8.310 nan 0.000 0.481 15 T N 2.246 116.804 114.554 0.006 0.000 3.098 15 T HA 0.183 4.529 4.350 -0.007 0.000 0.266 15 T C 1.409 176.117 174.700 0.014 0.000 1.145 15 T CA 0.612 62.715 62.100 0.005 0.000 1.092 15 T CB -0.247 68.624 68.868 0.005 0.000 0.908 15 T HN 0.311 nan 8.240 nan 0.000 0.526 16 I N 0.437 121.019 120.570 0.021 0.000 2.731 16 I HA -0.028 4.138 4.170 -0.007 0.000 0.260 16 I C 2.053 178.193 176.117 0.039 0.000 1.138 16 I CA 0.614 61.935 61.300 0.035 0.000 1.461 16 I CB -0.029 37.990 38.000 0.031 0.000 1.128 16 I HN 0.104 nan 8.210 nan 0.000 0.438 17 D N 0.596 121.011 120.400 0.026 0.000 2.078 17 D HA -0.211 4.425 4.640 -0.007 0.000 0.193 17 D C 2.136 178.448 176.300 0.021 0.000 0.990 17 D CA 1.612 55.627 54.000 0.025 0.000 0.827 17 D CB -0.545 40.264 40.800 0.015 0.000 0.975 17 D HN 0.115 nan 8.370 nan 0.000 0.451 18 S N 0.073 115.776 115.700 0.006 0.000 2.413 18 S HA -0.156 4.310 4.470 -0.007 0.000 0.237 18 S C 1.858 176.443 174.600 -0.025 0.000 1.044 18 S CA 0.602 58.795 58.200 -0.011 0.000 1.024 18 S CB -0.197 62.993 63.200 -0.018 0.000 0.829 18 S HN 0.132 nan 8.310 nan 0.000 0.475 19 L N 1.548 122.770 121.223 -0.001 0.000 1.993 19 L HA -0.059 4.277 4.340 -0.007 0.000 0.206 19 L C 3.008 179.927 176.870 0.082 0.000 1.074 19 L CA 2.221 57.062 54.840 0.001 0.000 0.746 19 L CB -1.687 40.418 42.059 0.076 0.000 0.896 19 L HN 0.751 nan 8.230 nan 0.000 0.435 20 C N -0.899 118.497 119.300 0.160 0.000 2.419 20 C HA 0.009 4.465 4.460 -0.007 0.000 0.283 20 C C 2.867 177.939 174.990 0.136 0.000 1.373 20 C CA 0.173 59.322 59.018 0.218 0.000 1.781 20 C CB -1.324 26.492 27.740 0.128 0.000 1.886 20 C HN 0.474 nan 8.230 nan 0.000 0.520 21 A N 1.536 124.391 122.820 0.058 0.000 1.877 21 A HA 0.197 4.513 4.320 -0.007 0.000 0.216 21 A C 2.557 180.145 177.584 0.006 0.000 1.186 21 A CA 2.261 54.313 52.037 0.025 0.000 0.620 21 A CB -1.230 17.771 19.000 0.002 0.000 0.822 21 A HN 1.101 nan 8.150 nan 0.000 0.443 22 A N -2.438 120.349 122.820 -0.056 0.000 2.167 22 A HA 0.288 4.604 4.320 -0.007 0.000 0.214 22 A C 1.610 179.126 177.584 -0.114 0.000 1.151 22 A CA 0.784 52.746 52.037 -0.126 0.000 0.735 22 A CB -0.476 18.384 19.000 -0.233 0.000 0.802 22 A HN 0.417 nan 8.150 nan 0.000 0.467 23 F N -0.793 119.151 119.950 -0.009 0.000 2.619 23 F HA 0.087 4.614 4.527 -0.000 0.000 0.293 23 F C 1.931 177.724 175.800 -0.011 0.000 1.119 23 F CA 0.542 58.536 58.000 -0.010 0.000 1.445 23 F CB 0.231 39.225 39.000 -0.009 0.000 1.119 23 F HN 0.279 nan 8.300 nan 0.000 0.573 24 D N 0.066 120.569 120.400 0.172 0.000 2.271 24 D HA -0.095 4.541 4.640 -0.007 0.000 0.206 24 D C 2.090 178.423 176.300 0.055 0.000 0.967 24 D CA 0.634 54.689 54.000 0.092 0.000 0.867 24 D CB 0.203 41.044 40.800 0.068 0.000 0.960 24 D HN 0.176 nan 8.370 nan 0.000 0.509 25 K N -0.080 120.345 120.400 0.040 0.000 2.025 25 K HA -0.095 4.221 4.320 -0.007 0.000 0.207 25 K C 1.830 178.440 176.600 0.017 0.000 1.049 25 K CA 1.768 58.065 56.287 0.016 0.000 0.933 25 K CB -0.060 32.438 32.500 -0.003 0.000 0.714 25 K HN 0.132 nan 8.250 nan 0.000 0.438 26 T N -0.834 113.736 114.554 0.028 0.000 3.118 26 T HA -0.036 4.310 4.350 -0.007 0.000 0.260 26 T C 1.294 176.013 174.700 0.031 0.000 1.139 26 T CA 0.307 62.422 62.100 0.025 0.000 1.085 26 T CB 0.209 69.097 68.868 0.035 0.000 0.934 26 T HN 0.105 nan 8.240 nan 0.000 0.518 27 L N -0.367 120.882 121.223 0.043 0.000 2.728 27 L HA 0.554 4.890 4.340 -0.007 0.000 0.238 27 L C 1.587 178.468 176.870 0.019 0.000 1.143 27 L CA 0.485 55.344 54.840 0.032 0.000 0.937 27 L CB 0.019 42.106 42.059 0.046 0.000 1.225 27 L HN 0.123 nan 8.230 nan 0.000 0.507 28 K N -1.850 118.560 120.400 0.015 0.000 2.464 28 K HA 0.306 4.622 4.320 -0.007 0.000 0.206 28 K C -0.036 176.568 176.600 0.005 0.000 1.186 28 K CA 0.036 56.330 56.287 0.011 0.000 0.990 28 K CB 0.668 33.176 32.500 0.013 0.000 1.003 28 K HN 0.178 nan 8.250 nan 0.000 0.562 29 S N 1.557 117.256 115.700 -0.002 0.000 2.442 29 S HA 0.165 4.631 4.470 -0.007 0.000 0.297 29 S C -0.858 173.725 174.600 -0.029 0.000 1.131 29 S CA -0.387 57.806 58.200 -0.010 0.000 1.092 29 S CB 1.575 64.767 63.200 -0.013 0.000 0.998 29 S HN 0.246 nan 8.310 nan 0.000 0.478 30 T N 5.240 119.777 114.554 -0.028 0.000 2.076 30 T HA -0.112 4.234 4.350 -0.007 0.000 0.264 30 T C -2.116 172.496 174.700 -0.146 0.000 1.051 30 T CA -0.079 61.979 62.100 -0.069 0.000 2.020 30 T CB -0.837 67.972 68.868 -0.099 0.000 1.024 30 T HN 0.399 nan 8.240 nan 0.000 0.392 31 P HA 0.135 nan 4.420 nan 0.000 0.272 31 P C 0.519 177.684 177.300 -0.226 0.000 1.254 31 P CA -0.426 62.606 63.100 -0.113 0.000 0.795 31 P CB 0.337 32.026 31.700 -0.018 0.000 1.022 32 D N -1.685 118.591 120.400 -0.207 0.000 2.844 32 D HA -0.158 4.478 4.640 -0.007 0.000 0.227 32 D C 1.001 177.047 176.300 -0.422 0.000 1.169 32 D CA 0.435 54.224 54.000 -0.351 0.000 0.680 32 D CB -1.542 38.969 40.800 -0.482 0.000 1.062 32 D HN 0.027 nan 8.370 nan 0.000 0.421 33 V N -0.259 119.491 119.914 -0.273 0.000 2.407 33 V HA -0.242 3.874 4.120 -0.007 0.000 0.245 33 V C 2.804 178.830 176.094 -0.113 0.000 1.041 33 V CA 2.009 64.217 62.300 -0.154 0.000 1.040 33 V CB -0.386 31.336 31.823 -0.169 0.000 0.671 33 V HN 0.286 nan 8.190 nan 0.000 0.455 34 Q N 0.861 120.581 119.800 -0.134 0.000 1.975 34 Q HA -0.283 4.053 4.340 -0.007 0.000 0.205 34 Q C 2.297 178.235 176.000 -0.104 0.000 0.990 34 Q CA 2.223 57.958 55.803 -0.114 0.000 0.845 34 Q CB -0.182 28.503 28.738 -0.089 0.000 0.913 34 Q HN 0.582 nan 8.270 nan 0.000 0.420 35 K N -0.469 119.851 120.400 -0.133 0.000 2.090 35 K HA -0.267 4.049 4.320 -0.007 0.000 0.218 35 K C 2.095 178.675 176.600 -0.033 0.000 1.055 35 K CA 2.282 58.495 56.287 -0.124 0.000 0.941 35 K CB -0.530 31.832 32.500 -0.231 0.000 0.722 35 K HN 0.299 nan 8.250 nan 0.000 0.458 36 Y N 1.380 121.654 120.300 -0.043 0.000 2.060 36 Y HA -0.184 4.361 4.550 -0.008 0.000 0.276 36 Y C 2.231 178.085 175.900 -0.076 0.000 1.127 36 Y CA 1.107 59.191 58.100 -0.027 0.000 1.104 36 Y CB -0.961 37.499 38.460 0.000 0.000 0.983 36 Y HN 0.138 nan 8.280 nan 0.000 0.483 37 N N 0.354 119.047 118.700 -0.012 0.000 2.258 37 N HA -0.175 4.561 4.740 -0.007 0.000 0.187 37 N C 1.397 176.810 175.510 -0.162 0.000 1.012 37 N CA 1.511 54.362 53.050 -0.332 0.000 0.870 37 N CB -0.537 37.436 38.487 -0.858 0.000 0.977 37 N HN 0.393 nan 8.380 nan 0.000 0.434 38 D N 0.588 120.946 120.400 -0.070 0.000 2.084 38 D HA 0.013 4.649 4.640 -0.007 0.000 0.194 38 D C 1.846 178.172 176.300 0.042 0.000 0.990 38 D CA 1.422 55.414 54.000 -0.013 0.000 0.826 38 D CB -0.268 40.522 40.800 -0.016 0.000 0.971 38 D HN 0.226 nan 8.370 nan 0.000 0.453 39 A N 0.541 123.401 122.820 0.066 0.000 1.933 39 A HA -0.152 4.164 4.320 -0.007 0.000 0.218 39 A C 2.180 179.837 177.584 0.122 0.000 1.175 39 A CA 0.924 53.019 52.037 0.097 0.000 0.628 39 A CB -0.554 18.520 19.000 0.123 0.000 0.814 39 A HN 0.209 nan 8.150 nan 0.000 0.444 40 I N 0.727 121.368 120.570 0.119 0.000 2.090 40 I HA -0.227 3.939 4.170 -0.007 0.000 0.236 40 I C 2.021 178.248 176.117 0.183 0.000 1.064 40 I CA 1.498 62.882 61.300 0.140 0.000 1.324 40 I CB -1.822 36.240 38.000 0.102 0.000 1.044 40 I HN 0.324 nan 8.210 nan 0.000 0.399 41 N N 0.727 119.521 118.700 0.157 0.000 2.096 41 N HA -0.196 4.540 4.740 -0.007 0.000 0.195 41 N C 1.797 177.435 175.510 0.213 0.000 1.017 41 N CA 2.008 55.175 53.050 0.195 0.000 0.870 41 N CB -0.918 37.661 38.487 0.154 0.000 1.024 41 N HN 0.370 nan 8.380 nan 0.000 0.434 42 T N 2.062 116.712 114.554 0.161 0.000 2.635 42 T HA -0.070 4.276 4.350 -0.007 0.000 0.267 42 T C 2.087 176.896 174.700 0.182 0.000 1.040 42 T CA 1.115 63.297 62.100 0.137 0.000 1.156 42 T CB -0.280 68.650 68.868 0.104 0.000 0.863 42 T HN 0.220 nan 8.240 nan 0.000 0.430 43 I N -0.184 120.528 120.570 0.236 0.000 2.127 43 I HA -0.150 4.016 4.170 -0.007 0.000 0.241 43 I C 1.951 178.314 176.117 0.410 0.000 1.075 43 I CA 1.618 63.091 61.300 0.288 0.000 1.334 43 I CB -0.534 37.663 38.000 0.328 0.000 1.040 43 I HN 0.191 nan 8.210 nan 0.000 0.405 44 F N 0.761 120.855 119.950 0.240 0.000 2.722 44 F HA -0.135 4.389 4.527 -0.004 0.000 0.298 44 F C 2.571 178.390 175.800 0.032 0.000 1.175 44 F CA 0.510 58.682 58.000 0.286 0.000 1.462 44 F CB -0.158 39.021 39.000 0.299 0.000 1.111 44 F HN 0.182 nan 8.300 nan 0.000 0.592 45 Q N 0.091 119.998 119.800 0.178 0.000 2.096 45 Q HA -0.183 4.153 4.340 -0.007 0.000 0.197 45 Q C 2.271 178.245 176.000 -0.043 0.000 0.964 45 Q CA 0.838 56.672 55.803 0.051 0.000 0.838 45 Q CB -0.172 28.607 28.738 0.069 0.000 0.906 45 Q HN 0.436 nan 8.270 nan 0.000 0.444 46 L N 1.540 122.764 121.223 0.003 0.000 2.230 46 L HA -0.285 4.051 4.340 -0.007 0.000 0.217 46 L C 2.214 179.002 176.870 -0.137 0.000 1.090 46 L CA 1.850 56.681 54.840 -0.015 0.000 0.771 46 L CB -0.472 41.634 42.059 0.078 0.000 0.892 46 L HN 0.156 nan 8.230 nan 0.000 0.438 47 R N -0.075 120.170 120.500 -0.426 0.000 2.127 47 R HA -0.159 4.177 4.340 -0.007 0.000 0.238 47 R C 0.672 176.756 176.300 -0.360 0.000 1.134 47 R CA 1.128 56.765 56.100 -0.772 0.000 0.975 47 R CB -0.240 29.116 30.300 -1.573 0.000 0.865 47 R HN 0.584 nan 8.270 nan 0.000 0.447 48 Q N 1.091 120.754 119.800 -0.227 0.000 2.489 48 Q HA -0.009 4.327 4.340 -0.007 0.000 0.231 48 Q C -0.487 175.463 176.000 -0.084 0.000 1.273 48 Q CA 0.363 56.089 55.803 -0.128 0.000 0.898 48 Q CB 0.583 29.270 28.738 -0.084 0.000 1.545 48 Q HN -0.082 nan 8.270 nan 0.000 0.538 49 K N 0.682 121.035 120.400 -0.077 0.000 3.307 49 K HA 0.135 4.451 4.320 -0.007 0.000 0.188 49 K C -0.155 176.428 176.600 -0.029 0.000 1.063 49 K CA 0.055 56.317 56.287 -0.041 0.000 0.949 49 K CB -0.041 32.441 32.500 -0.030 0.000 0.707 49 K HN 0.435 nan 8.250 nan 0.000 0.441 50 S N 0.301 115.982 115.700 -0.032 0.000 4.157 50 S HA -0.312 4.154 4.470 -0.007 0.000 0.538 50 S C -0.246 174.347 174.600 -0.012 0.000 1.820 50 S CA 1.960 60.148 58.200 -0.020 0.000 4.198 50 S CB -1.110 62.084 63.200 -0.011 0.000 0.638 50 S HN 0.634 nan 8.310 nan 0.000 0.457 51 E N 2.908 123.107 120.200 -0.002 0.000 2.901 51 E HA 0.225 4.571 4.350 -0.007 0.000 0.225 51 E C 0.329 176.938 176.600 0.015 0.000 1.184 51 E CA 0.833 57.238 56.400 0.008 0.000 0.933 51 E CB -1.059 28.647 29.700 0.011 0.000 1.021 51 E HN 0.518 nan 8.360 nan 0.000 0.517 52 S N 2.753 118.462 115.700 0.015 0.000 3.292 52 S HA -0.197 4.269 4.470 -0.007 0.000 0.360 52 S C 1.224 175.856 174.600 0.053 0.000 0.930 52 S CA 0.415 58.634 58.200 0.032 0.000 1.317 52 S CB -1.431 61.793 63.200 0.041 0.000 0.920 52 S HN 1.065 nan 8.310 nan 0.000 0.540 53 G N 1.470 110.276 108.800 0.009 0.000 2.467 53 G HA2 -0.377 3.579 3.960 -0.007 0.000 0.302 53 G HA3 -0.377 3.579 3.960 -0.007 0.000 0.302 53 G C 0.071 175.034 174.900 0.106 0.000 0.930 53 G CA 1.084 46.191 45.100 0.011 0.000 1.008 53 G HN 0.948 nan 8.290 nan 0.000 0.512 54 K N -0.303 120.132 120.400 0.058 0.000 2.530 54 K HA 0.087 4.403 4.320 -0.007 0.000 0.280 54 K C 1.129 177.767 176.600 0.063 0.000 1.004 54 K CA -0.195 56.126 56.287 0.056 0.000 1.071 54 K CB 0.093 32.612 32.500 0.032 0.000 0.876 54 K HN 0.096 nan 8.250 nan 0.000 0.487 55 M N 6.259 125.896 119.600 0.063 0.000 2.364 55 M HA 0.098 4.574 4.480 -0.007 0.000 0.342 55 M C -2.092 174.227 176.300 0.032 0.000 1.601 55 M CA -2.003 53.328 55.300 0.052 0.000 1.156 55 M CB 0.050 32.663 32.600 0.023 0.000 1.912 55 M HN 0.399 nan 8.290 nan 0.000 0.460 56 P HA 0.012 nan 4.420 nan 0.000 0.264 56 P C 0.267 177.574 177.300 0.012 0.000 1.183 56 P CA 0.161 63.272 63.100 0.017 0.000 0.763 56 P CB 0.546 32.255 31.700 0.016 0.000 0.807 57 A N 3.142 125.967 122.820 0.009 0.000 2.272 57 A HA -0.179 4.137 4.320 -0.007 0.000 0.213 57 A C 1.275 178.860 177.584 0.002 0.000 1.183 57 A CA 1.442 53.482 52.037 0.005 0.000 0.719 57 A CB -1.029 17.972 19.000 0.003 0.000 0.771 57 A HN 0.514 nan 8.150 nan 0.000 0.484 58 D N -0.047 120.355 120.400 0.004 0.000 2.144 58 D HA -0.102 4.534 4.640 -0.007 0.000 0.200 58 D C 1.696 177.996 176.300 -0.001 0.000 0.978 58 D CA 1.042 55.043 54.000 0.003 0.000 0.833 58 D CB -0.151 40.653 40.800 0.006 0.000 0.961 58 D HN 0.505 nan 8.370 nan 0.000 0.470 59 L N 0.265 121.487 121.223 -0.002 0.000 2.145 59 L HA -0.008 4.328 4.340 -0.007 0.000 0.201 59 L C 2.593 179.453 176.870 -0.016 0.000 1.075 59 L CA 1.171 56.004 54.840 -0.011 0.000 0.773 59 L CB -0.849 41.201 42.059 -0.014 0.000 0.936 59 L HN 0.160 nan 8.230 nan 0.000 0.451 60 T N -1.192 113.357 114.554 -0.009 0.000 2.520 60 T HA -0.228 4.118 4.350 -0.007 0.000 0.258 60 T C 1.275 175.972 174.700 -0.006 0.000 1.125 60 T CA 1.076 63.174 62.100 -0.004 0.000 1.206 60 T CB -0.642 68.232 68.868 0.010 0.000 0.864 60 T HN 0.386 nan 8.240 nan 0.000 0.400 61 N N 0.948 119.646 118.700 -0.003 0.000 1.119 61 N HA -0.328 4.408 4.740 -0.007 0.000 0.115 61 N C 1.120 176.627 175.510 -0.006 0.000 0.613 61 N CA 2.877 55.924 53.050 -0.005 0.000 0.823 61 N CB -1.195 37.289 38.487 -0.004 0.000 1.210 61 N HN 0.646 nan 8.380 nan 0.000 0.701 62 S N -2.392 113.305 115.700 -0.006 0.000 2.917 62 S HA 0.260 4.726 4.470 -0.007 0.000 0.269 62 S C 0.864 175.460 174.600 -0.007 0.000 1.072 62 S CA 0.547 58.743 58.200 -0.007 0.000 0.967 62 S CB -0.296 62.901 63.200 -0.005 0.000 0.906 62 S HN 0.540 nan 8.310 nan 0.000 0.463 63 E N 1.391 121.588 120.200 -0.005 0.000 2.371 63 E HA 0.237 4.583 4.350 -0.007 0.000 0.194 63 E C 1.668 178.264 176.600 -0.006 0.000 1.012 63 E CA 0.581 56.978 56.400 -0.004 0.000 0.860 63 E CB -0.031 29.668 29.700 -0.003 0.000 0.811 63 E HN 0.557 nan 8.360 nan 0.000 0.502 64 A N 1.295 124.111 122.820 -0.007 0.000 2.248 64 A HA -0.094 4.222 4.320 -0.007 0.000 0.210 64 A C 1.966 179.541 177.584 -0.015 0.000 1.174 64 A CA 0.303 52.334 52.037 -0.010 0.000 0.750 64 A CB -0.472 18.521 19.000 -0.010 0.000 0.780 64 A HN 0.218 nan 8.150 nan 0.000 0.478 65 L N -0.272 120.942 121.223 -0.015 0.000 2.189 65 L HA -0.207 4.129 4.340 -0.007 0.000 0.214 65 L C 2.071 178.931 176.870 -0.017 0.000 1.097 65 L CA 2.069 56.897 54.840 -0.019 0.000 0.764 65 L CB -0.445 41.605 42.059 -0.014 0.000 0.900 65 L HN 0.400 nan 8.230 nan 0.000 0.436 66 K N -0.404 119.989 120.400 -0.010 0.000 1.973 66 K HA -0.157 4.159 4.320 -0.007 0.000 0.212 66 K C 1.741 178.336 176.600 -0.008 0.000 1.047 66 K CA 1.740 58.024 56.287 -0.006 0.000 0.937 66 K CB -0.479 32.020 32.500 -0.002 0.000 0.721 66 K HN 0.391 nan 8.250 nan 0.000 0.440 67 D N 0.523 120.918 120.400 -0.008 0.000 2.221 67 D HA -0.151 4.485 4.640 -0.007 0.000 0.204 67 D C 1.987 178.275 176.300 -0.019 0.000 0.982 67 D CA 1.154 55.150 54.000 -0.008 0.000 0.857 67 D CB -0.046 40.751 40.800 -0.005 0.000 0.934 67 D HN 0.155 nan 8.370 nan 0.000 0.475 68 R N 0.273 120.754 120.500 -0.032 0.000 2.052 68 R HA -0.094 4.242 4.340 -0.007 0.000 0.224 68 R C 2.290 178.557 176.300 -0.054 0.000 1.165 68 R CA 1.075 57.141 56.100 -0.056 0.000 0.939 68 R CB -0.435 29.823 30.300 -0.071 0.000 0.834 68 R HN -0.029 nan 8.270 nan 0.000 0.435 69 Q N 1.253 121.029 119.800 -0.041 0.000 2.224 69 Q HA -0.315 4.021 4.340 -0.007 0.000 0.213 69 Q C 1.734 177.721 176.000 -0.021 0.000 0.998 69 Q CA 2.398 58.183 55.803 -0.030 0.000 0.895 69 Q CB -0.146 28.583 28.738 -0.015 0.000 0.926 69 Q HN 0.091 nan 8.270 nan 0.000 0.417 70 K N -0.271 120.120 120.400 -0.014 0.000 2.057 70 K HA -0.034 4.282 4.320 -0.007 0.000 0.206 70 K C 1.831 178.429 176.600 -0.004 0.000 1.050 70 K CA 1.640 57.927 56.287 -0.001 0.000 0.935 70 K CB -0.234 32.270 32.500 0.006 0.000 0.715 70 K HN 0.422 nan 8.250 nan 0.000 0.439 71 I N 0.478 121.033 120.570 -0.024 0.000 2.286 71 I HA -0.190 3.977 4.170 -0.007 0.000 0.245 71 I C 2.435 178.508 176.117 -0.073 0.000 1.104 71 I CA 1.280 62.559 61.300 -0.036 0.000 1.397 71 I CB -0.345 37.618 38.000 -0.060 0.000 1.072 71 I HN 0.387 nan 8.210 nan 0.000 0.417 72 E N 1.061 121.199 120.200 -0.102 0.000 2.118 72 E HA -0.246 4.100 4.350 -0.007 0.000 0.195 72 E C 2.021 178.593 176.600 -0.047 0.000 0.992 72 E CA 1.243 57.570 56.400 -0.121 0.000 0.804 72 E CB 0.210 29.850 29.700 -0.101 0.000 0.741 72 E HN 0.357 nan 8.360 nan 0.000 0.458 73 E N 0.574 120.766 120.200 -0.014 0.000 2.028 73 E HA -0.161 4.185 4.350 -0.007 0.000 0.191 73 E C 2.186 178.804 176.600 0.029 0.000 0.988 73 E CA 0.593 57.003 56.400 0.017 0.000 0.799 73 E CB -0.274 29.440 29.700 0.024 0.000 0.755 73 E HN 0.347 nan 8.360 nan 0.000 0.447 74 I N 1.256 121.846 120.570 0.033 0.000 2.248 74 I HA -0.256 3.910 4.170 -0.007 0.000 0.248 74 I C 2.507 178.655 176.117 0.052 0.000 1.107 74 I CA 1.016 62.351 61.300 0.058 0.000 1.373 74 I CB -1.248 36.794 38.000 0.071 0.000 1.055 74 I HN 0.074 nan 8.210 nan 0.000 0.418 75 L N -0.029 121.217 121.223 0.039 0.000 1.973 75 L HA -0.210 4.126 4.340 -0.007 0.000 0.208 75 L C 2.566 179.501 176.870 0.108 0.000 1.073 75 L CA 1.826 56.708 54.840 0.071 0.000 0.746 75 L CB -1.103 40.951 42.059 -0.009 0.000 0.891 75 L HN 0.161 nan 8.230 nan 0.000 0.433 76 T N -0.758 113.851 114.554 0.092 0.000 2.721 76 T HA -0.301 4.045 4.350 -0.007 0.000 0.268 76 T C 1.879 176.660 174.700 0.134 0.000 1.038 76 T CA 1.805 63.996 62.100 0.152 0.000 1.145 76 T CB -0.318 68.616 68.868 0.110 0.000 0.858 76 T HN 0.270 nan 8.240 nan 0.000 0.459 77 R N 0.785 121.299 120.500 0.023 0.000 2.075 77 R HA -0.076 4.260 4.340 -0.007 0.000 0.230 77 R C 2.731 178.841 176.300 -0.316 0.000 1.140 77 R CA 1.863 57.892 56.100 -0.119 0.000 0.928 77 R CB -0.802 29.442 30.300 -0.093 0.000 0.834 77 R HN 0.266 nan 8.270 nan 0.000 0.429 78 S N -0.786 114.730 115.700 -0.306 0.000 2.440 78 S HA -0.223 4.243 4.470 -0.007 0.000 0.240 78 S C 1.599 176.137 174.600 -0.102 0.000 1.014 78 S CA 1.418 59.426 58.200 -0.321 0.000 0.980 78 S CB -0.375 62.789 63.200 -0.060 0.000 0.775 78 S HN 0.605 nan 8.310 nan 0.000 0.499 79 Y N 1.689 121.925 120.300 -0.107 0.000 2.347 79 Y HA 0.168 4.714 4.550 -0.006 0.000 0.294 79 Y C 1.965 177.838 175.900 -0.044 0.000 1.117 79 Y CA 1.335 59.415 58.100 -0.034 0.000 1.184 79 Y CB -0.119 38.364 38.460 0.038 0.000 1.047 79 Y HN 0.458 nan 8.280 nan 0.000 0.546 80 Q N -1.193 118.496 119.800 -0.185 0.000 2.188 80 Q HA 0.201 4.537 4.340 -0.007 0.000 0.212 80 Q C 0.033 175.901 176.000 -0.219 0.000 0.846 80 Q CA 0.131 55.774 55.803 -0.266 0.000 0.989 80 Q CB 0.586 29.305 28.738 -0.032 0.000 1.114 80 Q HN 0.289 nan 8.270 nan 0.000 0.488 81 D N 0.242 120.489 120.400 -0.255 0.000 2.735 81 D HA 0.087 4.723 4.640 -0.007 0.000 0.267 81 D C 0.250 176.305 176.300 -0.409 0.000 1.081 81 D CA 0.748 54.568 54.000 -0.301 0.000 0.980 81 D CB 0.444 41.081 40.800 -0.272 0.000 1.129 81 D HN 0.227 nan 8.370 nan 0.000 0.459 82 H N -0.404 118.614 119.070 -0.086 0.000 2.670 82 H HA 0.267 4.820 4.556 -0.005 0.000 0.361 82 H C 1.146 176.424 175.328 -0.083 0.000 1.169 82 H CA -0.111 55.915 56.048 -0.037 0.000 1.198 82 H CB 2.226 32.018 29.762 0.051 0.000 1.700 82 H HN -0.036 nan 8.280 nan 0.000 0.542 83 S N 1.144 116.889 115.700 0.075 0.000 2.395 83 S HA -0.111 4.355 4.470 -0.007 0.000 0.225 83 S C 1.414 176.035 174.600 0.036 0.000 1.027 83 S CA 0.883 59.086 58.200 0.005 0.000 0.965 83 S CB -0.020 63.181 63.200 0.001 0.000 0.812 83 S HN 0.570 nan 8.310 nan 0.000 0.482 84 E N 2.081 122.326 120.200 0.074 0.000 2.085 84 E HA -0.113 4.233 4.350 -0.007 0.000 0.194 84 E C 2.466 179.111 176.600 0.074 0.000 0.994 84 E CA 1.694 58.127 56.400 0.054 0.000 0.801 84 E CB -0.280 29.432 29.700 0.020 0.000 0.743 84 E HN 0.822 nan 8.360 nan 0.000 0.453 85 S N 0.375 116.134 115.700 0.098 0.000 2.383 85 S HA -0.144 4.322 4.470 -0.007 0.000 0.227 85 S C 1.982 176.631 174.600 0.083 0.000 1.026 85 S CA 0.852 59.109 58.200 0.095 0.000 0.981 85 S CB -0.173 63.084 63.200 0.095 0.000 0.818 85 S HN 0.117 nan 8.310 nan 0.000 0.472 86 R N 0.999 121.517 120.500 0.031 0.000 2.081 86 R HA -0.036 4.300 4.340 -0.007 0.000 0.235 86 R C 2.076 178.406 176.300 0.050 0.000 1.131 86 R CA 1.585 57.696 56.100 0.018 0.000 0.960 86 R CB -0.591 29.634 30.300 -0.125 0.000 0.856 86 R HN 0.388 nan 8.270 nan 0.000 0.436 87 V N 0.151 120.085 119.914 0.034 0.000 2.407 87 V HA -0.245 3.871 4.120 -0.007 0.000 0.248 87 V C 2.106 178.208 176.094 0.014 0.000 1.055 87 V CA 2.222 64.530 62.300 0.015 0.000 1.049 87 V CB -0.745 31.090 31.823 0.019 0.000 0.662 87 V HN 0.473 nan 8.190 nan 0.000 0.455 88 H N -0.075 118.976 119.070 -0.033 0.000 2.270 88 H HA -0.175 4.375 4.556 -0.009 0.000 0.299 88 H C 1.999 177.270 175.328 -0.095 0.000 1.077 88 H CA 2.184 58.200 56.048 -0.053 0.000 1.294 88 H CB -0.260 29.482 29.762 -0.035 0.000 1.371 88 H HN 0.251 nan 8.280 nan 0.000 0.491 89 L N 0.106 121.348 121.223 0.032 0.000 2.129 89 L HA -0.182 4.154 4.340 -0.007 0.000 0.212 89 L C 2.130 178.917 176.870 -0.139 0.000 1.087 89 L CA 1.921 56.725 54.840 -0.060 0.000 0.757 89 L CB -0.729 41.382 42.059 0.086 0.000 0.896 89 L HN 0.254 nan 8.230 nan 0.000 0.434 90 S N -0.976 114.641 115.700 -0.138 0.000 2.414 90 S HA -0.069 4.397 4.470 -0.007 0.000 0.227 90 S C 1.834 176.289 174.600 -0.242 0.000 1.022 90 S CA 0.645 58.699 58.200 -0.243 0.000 0.958 90 S CB -0.141 62.924 63.200 -0.224 0.000 0.797 90 S HN 0.403 nan 8.310 nan 0.000 0.493 91 K N 1.959 122.231 120.400 -0.213 0.000 2.001 91 K HA 0.087 4.403 4.320 -0.007 0.000 0.208 91 K C 1.996 178.500 176.600 -0.160 0.000 1.048 91 K CA 0.913 57.087 56.287 -0.188 0.000 0.932 91 K CB -1.000 31.371 32.500 -0.214 0.000 0.715 91 K HN 0.367 nan 8.250 nan 0.000 0.437 92 L N 0.661 121.728 121.223 -0.259 0.000 2.191 92 L HA -0.100 4.236 4.340 -0.007 0.000 0.212 92 L C 2.447 179.467 176.870 0.251 0.000 1.103 92 L CA 0.882 55.636 54.840 -0.142 0.000 0.769 92 L CB -0.495 41.180 42.059 -0.640 0.000 0.908 92 L HN 0.081 nan 8.230 nan 0.000 0.438 93 I N -0.510 120.132 120.570 0.119 0.000 2.235 93 I HA -0.208 3.958 4.170 -0.007 0.000 0.241 93 I C 2.520 178.711 176.117 0.123 0.000 1.085 93 I CA 1.015 62.468 61.300 0.256 0.000 1.378 93 I CB -0.240 37.766 38.000 0.010 0.000 1.076 93 I HN 0.316 nan 8.210 nan 0.000 0.415 94 Q N 0.404 120.167 119.800 -0.061 0.000 2.364 94 Q HA -0.162 4.174 4.340 -0.007 0.000 0.207 94 Q C 1.696 177.738 176.000 0.070 0.000 0.970 94 Q CA 0.809 56.604 55.803 -0.012 0.000 0.888 94 Q CB -0.333 28.339 28.738 -0.110 0.000 0.951 94 Q HN 0.502 nan 8.270 nan 0.000 0.469 95 N N 1.022 119.775 118.700 0.089 0.000 2.250 95 N HA -0.107 4.629 4.740 -0.007 0.000 0.181 95 N C 0.184 175.783 175.510 0.148 0.000 1.017 95 N CA 0.971 54.083 53.050 0.103 0.000 0.866 95 N CB 0.333 38.877 38.487 0.094 0.000 0.985 95 N HN 0.096 nan 8.380 nan 0.000 0.429 96 D N 0.188 120.728 120.400 0.232 0.000 2.861 96 D HA 0.119 4.755 4.640 -0.007 0.000 0.357 96 D C 1.252 177.707 176.300 0.258 0.000 1.250 96 D CA -0.374 53.771 54.000 0.243 0.000 0.802 96 D CB 0.049 41.031 40.800 0.303 0.000 1.141 96 D HN -0.004 nan 8.370 nan 0.000 0.489 97 I N 0.306 121.001 120.570 0.208 0.000 2.161 97 I HA -0.247 3.919 4.170 -0.007 0.000 0.246 97 I C -0.914 175.310 176.117 0.179 0.000 1.048 97 I CA 1.559 62.993 61.300 0.223 0.000 1.314 97 I CB -2.027 36.082 38.000 0.182 0.000 1.014 97 I HN 0.221 nan 8.210 nan 0.000 0.418 98 P HA -0.188 nan 4.420 nan 0.000 0.212 98 P C 1.989 179.345 177.300 0.092 0.000 1.180 98 P CA 1.325 64.479 63.100 0.091 0.000 0.906 98 P CB -0.243 31.505 31.700 0.080 0.000 0.782 99 F N 1.232 121.182 119.950 0.001 0.000 2.085 99 F HA -0.306 4.216 4.527 -0.008 0.000 0.299 99 F C 2.076 177.849 175.800 -0.046 0.000 1.096 99 F CA 1.742 59.709 58.000 -0.054 0.000 1.227 99 F CB -1.323 37.612 39.000 -0.109 0.000 0.983 99 F HN -0.115 nan 8.300 nan 0.000 0.482 100 A N 0.829 123.467 122.820 -0.304 0.000 1.927 100 A HA -0.206 4.110 4.320 -0.007 0.000 0.220 100 A C 2.456 179.955 177.584 -0.143 0.000 1.185 100 A CA 2.140 54.062 52.037 -0.192 0.000 0.639 100 A CB -1.293 17.879 19.000 0.287 0.000 0.820 100 A HN 0.568 nan 8.150 nan 0.000 0.451 101 L N -0.552 120.588 121.223 -0.139 0.000 2.044 101 L HA -0.175 4.161 4.340 -0.007 0.000 0.205 101 L C 2.405 179.165 176.870 -0.183 0.000 1.075 101 L CA 1.151 55.856 54.840 -0.226 0.000 0.747 101 L CB -0.621 41.365 42.059 -0.121 0.000 0.903 101 L HN 0.435 nan 8.230 nan 0.000 0.435 102 N N 0.318 118.927 118.700 -0.151 0.000 2.061 102 N HA -0.238 4.498 4.740 -0.007 0.000 0.193 102 N C 1.824 177.210 175.510 -0.207 0.000 1.030 102 N CA 1.457 54.431 53.050 -0.127 0.000 0.856 102 N CB -0.473 37.998 38.487 -0.027 0.000 1.023 102 N HN 0.190 nan 8.380 nan 0.000 0.424 103 L N 0.415 121.445 121.223 -0.322 0.000 1.989 103 L HA -0.088 4.248 4.340 -0.007 0.000 0.211 103 L C 2.060 178.765 176.870 -0.274 0.000 1.071 103 L CA 1.592 56.229 54.840 -0.338 0.000 0.749 103 L CB -0.785 40.926 42.059 -0.580 0.000 0.890 103 L HN -0.003 nan 8.230 nan 0.000 0.431 104 F N 0.076 119.808 119.950 -0.364 0.000 2.163 104 F HA -0.146 4.377 4.527 -0.007 0.000 0.297 104 F C 2.347 177.754 175.800 -0.655 0.000 1.094 104 F CA 1.327 59.123 58.000 -0.340 0.000 1.290 104 F CB -0.404 38.443 39.000 -0.255 0.000 1.017 104 F HN 0.163 nan 8.300 nan 0.000 0.483 105 E N 0.891 120.699 120.200 -0.654 0.000 2.113 105 E HA -0.287 4.059 4.350 -0.007 0.000 0.210 105 E C 1.839 177.771 176.600 -1.114 0.000 1.040 105 E CA 2.037 57.663 56.400 -1.290 0.000 0.847 105 E CB -0.759 28.297 29.700 -1.072 0.000 0.755 105 E HN 0.608 nan 8.360 nan 0.000 0.459 106 I N -0.643 119.526 120.570 -0.668 0.000 3.620 106 I HA 0.069 4.235 4.170 -0.007 0.000 0.305 106 I C -0.073 175.851 176.117 -0.322 0.000 1.243 106 I CA -0.118 60.946 61.300 -0.393 0.000 1.196 106 I CB -0.149 37.718 38.000 -0.222 0.000 1.004 106 I HN -0.107 nan 8.210 nan 0.000 0.487 107 L N -0.196 120.782 121.223 -0.408 0.000 2.298 107 L HA 0.469 4.805 4.340 -0.007 0.000 0.268 107 L C 0.683 177.443 176.870 -0.183 0.000 1.010 107 L CA -0.471 54.210 54.840 -0.264 0.000 0.812 107 L CB 1.396 43.284 42.059 -0.285 0.000 1.331 107 L HN 0.085 nan 8.230 nan 0.000 0.450 108 S N -0.092 115.564 115.700 -0.073 0.000 2.573 108 S HA 0.082 4.548 4.470 -0.007 0.000 0.277 108 S C 1.432 176.085 174.600 0.089 0.000 1.346 108 S CA -0.191 58.010 58.200 0.001 0.000 1.034 108 S CB 0.444 63.654 63.200 0.016 0.000 0.879 108 S HN 0.492 nan 8.310 nan 0.000 0.528 109 R N 1.854 122.416 120.500 0.104 0.000 2.105 109 R HA -0.089 4.247 4.340 -0.007 0.000 0.239 109 R C 2.615 178.928 176.300 0.022 0.000 1.135 109 R CA 1.816 57.992 56.100 0.127 0.000 0.967 109 R CB -1.546 28.804 30.300 0.084 0.000 0.861 109 R HN 0.897 nan 8.270 nan 0.000 0.442 110 S N 0.372 116.096 115.700 0.040 0.000 2.469 110 S HA -0.134 4.332 4.470 -0.007 0.000 0.238 110 S C 1.937 176.534 174.600 -0.004 0.000 0.998 110 S CA 1.424 59.649 58.200 0.042 0.000 0.957 110 S CB -0.309 62.968 63.200 0.128 0.000 0.764 110 S HN 0.392 nan 8.310 nan 0.000 0.514 111 S N 1.463 117.197 115.700 0.057 0.000 2.474 111 S HA 0.093 4.559 4.470 -0.007 0.000 0.235 111 S C 1.689 176.389 174.600 0.167 0.000 0.997 111 S CA 0.516 58.798 58.200 0.137 0.000 0.949 111 S CB -0.855 62.445 63.200 0.166 0.000 0.766 111 S HN 0.606 nan 8.310 nan 0.000 0.517 112 I N 1.787 122.333 120.570 -0.040 0.000 2.226 112 I HA -0.200 3.966 4.170 -0.007 0.000 0.245 112 I C 2.445 178.510 176.117 -0.086 0.000 1.100 112 I CA 1.481 62.703 61.300 -0.130 0.000 1.374 112 I CB -0.619 37.163 38.000 -0.363 0.000 1.057 112 I HN 0.403 nan 8.210 nan 0.000 0.413 113 H N -0.058 119.059 119.070 0.079 0.000 2.489 113 H HA -0.086 4.466 4.556 -0.007 0.000 0.295 113 H C 2.330 177.628 175.328 -0.051 0.000 1.082 113 H CA 1.235 57.312 56.048 0.049 0.000 1.295 113 H CB -0.497 29.302 29.762 0.061 0.000 1.380 113 H HN 0.259 nan 8.280 nan 0.000 0.548 114 V N 0.366 120.255 119.914 -0.040 0.000 2.535 114 V HA -0.146 3.970 4.120 -0.007 0.000 0.246 114 V C 2.204 178.144 176.094 -0.257 0.000 1.045 114 V CA 0.888 62.916 62.300 -0.454 0.000 1.058 114 V CB -0.626 31.049 31.823 -0.246 0.000 0.689 114 V HN 0.168 nan 8.190 nan 0.000 0.461 115 F N 0.579 120.415 119.950 -0.189 0.000 2.146 115 F HA -0.106 4.418 4.527 -0.005 0.000 0.298 115 F C 2.195 177.983 175.800 -0.021 0.000 1.096 115 F CA 1.596 59.378 58.000 -0.363 0.000 1.275 115 F CB -0.175 38.496 39.000 -0.549 0.000 1.008 115 F HN -0.073 nan 8.300 nan 0.000 0.480 116 V N -0.058 119.927 119.914 0.117 0.000 2.548 116 V HA -0.125 3.991 4.120 -0.007 0.000 0.249 116 V C 2.557 178.781 176.094 0.215 0.000 1.055 116 V CA 1.752 64.175 62.300 0.204 0.000 1.065 116 V CB -1.204 30.746 31.823 0.212 0.000 0.681 116 V HN 0.506 nan 8.190 nan 0.000 0.462 117 G N -2.109 106.757 108.800 0.111 0.000 2.708 117 G HA2 -0.204 3.752 3.960 -0.007 0.000 0.210 117 G HA3 -0.204 3.752 3.960 -0.007 0.000 0.210 117 G C 1.302 176.332 174.900 0.218 0.000 1.141 117 G CA 0.960 46.177 45.100 0.196 0.000 0.788 117 G HN 0.563 nan 8.290 nan 0.000 0.531 118 C N -0.327 118.974 119.300 0.002 0.000 2.791 118 C HA 0.434 4.890 4.460 -0.007 0.000 0.270 118 C C 0.021 174.780 174.990 -0.385 0.000 1.257 118 C CA -0.828 58.090 59.018 -0.166 0.000 1.699 118 C CB -1.103 26.410 27.740 -0.378 0.000 1.904 118 C HN 0.264 nan 8.230 nan 0.000 0.603 119 F N 1.277 121.199 119.950 -0.047 0.000 2.308 119 F HA 0.235 4.759 4.527 -0.005 0.000 0.370 119 F C 1.451 177.347 175.800 0.160 0.000 1.100 119 F CA -0.189 57.812 58.000 0.003 0.000 1.108 119 F CB 0.860 39.827 39.000 -0.056 0.000 1.293 119 F HN 0.034 nan 8.300 nan 0.000 0.478 120 S N 1.945 117.763 115.700 0.197 0.000 2.351 120 S HA -0.154 4.312 4.470 -0.007 0.000 0.220 120 S C 0.580 175.314 174.600 0.223 0.000 1.035 120 S CA 1.265 59.561 58.200 0.159 0.000 1.031 120 S CB -0.359 62.885 63.200 0.072 0.000 0.928 120 S HN 0.721 nan 8.310 nan 0.000 0.433 121 N N 0.223 119.094 118.700 0.286 0.000 2.235 121 N HA 0.288 5.024 4.740 -0.007 0.000 0.293 121 N C -0.015 175.732 175.510 0.395 0.000 1.083 121 N CA -0.693 52.553 53.050 0.327 0.000 0.801 121 N CB 2.035 40.615 38.487 0.155 0.000 1.559 121 N HN -0.014 nan 8.380 nan 0.000 0.472 122 K N 1.178 121.890 120.400 0.520 0.000 2.081 122 K HA -0.360 3.956 4.320 -0.007 0.000 0.222 122 K C 0.857 177.424 176.600 -0.055 0.000 1.055 122 K CA 2.777 59.077 56.287 0.020 0.000 0.954 122 K CB -0.334 32.201 32.500 0.058 0.000 0.732 122 K HN 0.711 nan 8.250 nan 0.000 0.458 123 D N -0.969 119.455 120.400 0.040 0.000 2.157 123 D HA -0.216 4.420 4.640 -0.007 0.000 0.191 123 D C 1.589 177.911 176.300 0.037 0.000 1.004 123 D CA 1.914 55.937 54.000 0.037 0.000 0.854 123 D CB -0.132 40.698 40.800 0.049 0.000 0.936 123 D HN 0.443 nan 8.370 nan 0.000 0.446 124 A N -0.717 122.150 122.820 0.078 0.000 2.125 124 A HA -0.106 4.210 4.320 -0.007 0.000 0.219 124 A C 2.146 179.817 177.584 0.146 0.000 1.156 124 A CA 2.019 54.139 52.037 0.138 0.000 0.671 124 A CB -0.857 18.263 19.000 0.199 0.000 0.794 124 A HN 0.456 nan 8.150 nan 0.000 0.459 125 T N -3.004 111.518 114.554 -0.054 0.000 3.129 125 T HA 0.226 4.572 4.350 -0.007 0.000 0.251 125 T C 1.532 176.105 174.700 -0.211 0.000 1.117 125 T CA 0.561 62.467 62.100 -0.324 0.000 1.034 125 T CB -0.427 68.120 68.868 -0.535 0.000 0.968 125 T HN 0.373 nan 8.240 nan 0.000 0.526 126 I N 1.287 121.804 120.570 -0.088 0.000 2.333 126 I HA 0.042 4.208 4.170 -0.007 0.000 0.246 126 I C 3.091 179.149 176.117 -0.098 0.000 1.106 126 I CA 0.929 62.179 61.300 -0.082 0.000 1.411 126 I CB -0.518 37.462 38.000 -0.034 0.000 1.082 126 I HN 0.342 nan 8.210 nan 0.000 0.420 127 A N 0.795 123.585 122.820 -0.050 0.000 2.024 127 A HA -0.221 4.095 4.320 -0.007 0.000 0.220 127 A C 2.216 179.764 177.584 -0.060 0.000 1.164 127 A CA 1.515 53.531 52.037 -0.035 0.000 0.643 127 A CB -0.591 18.423 19.000 0.023 0.000 0.806 127 A HN 0.400 nan 8.150 nan 0.000 0.451 128 L N -0.516 120.645 121.223 -0.102 0.000 2.034 128 L HA 0.023 4.359 4.340 -0.007 0.000 0.203 128 L C 2.238 179.005 176.870 -0.171 0.000 1.074 128 L CA 1.584 56.335 54.840 -0.148 0.000 0.748 128 L CB -0.563 41.263 42.059 -0.389 0.000 0.905 128 L HN 0.358 nan 8.230 nan 0.000 0.439 129 L N 0.211 121.304 121.223 -0.216 0.000 2.129 129 L HA -0.259 4.077 4.340 -0.007 0.000 0.212 129 L C 2.343 179.001 176.870 -0.354 0.000 1.087 129 L CA 1.541 56.242 54.840 -0.230 0.000 0.757 129 L CB -0.834 41.082 42.059 -0.237 0.000 0.896 129 L HN 0.512 nan 8.230 nan 0.000 0.434 130 N N 0.033 118.555 118.700 -0.296 0.000 2.043 130 N HA -0.233 4.503 4.740 -0.007 0.000 0.193 130 N C 1.853 177.217 175.510 -0.243 0.000 1.037 130 N CA 1.474 54.343 53.050 -0.301 0.000 0.851 130 N CB 0.005 38.377 38.487 -0.193 0.000 1.027 130 N HN 0.126 nan 8.380 nan 0.000 0.422 131 E N 0.384 120.491 120.200 -0.155 0.000 2.058 131 E HA -0.146 4.200 4.350 -0.007 0.000 0.194 131 E C 2.151 178.686 176.600 -0.109 0.000 0.997 131 E CA 0.818 57.149 56.400 -0.114 0.000 0.801 131 E CB -0.428 29.240 29.700 -0.053 0.000 0.746 131 E HN 0.483 nan 8.360 nan 0.000 0.450 132 L N 0.955 122.119 121.223 -0.098 0.000 2.042 132 L HA -0.228 4.108 4.340 -0.007 0.000 0.210 132 L C 2.847 179.730 176.870 0.021 0.000 1.076 132 L CA 1.391 56.215 54.840 -0.028 0.000 0.749 132 L CB -0.638 41.424 42.059 0.005 0.000 0.893 132 L HN 0.185 nan 8.230 nan 0.000 0.432 133 Q N 0.883 120.596 119.800 -0.144 0.000 2.124 133 Q HA -0.213 4.123 4.340 -0.007 0.000 0.202 133 Q C 2.190 178.197 176.000 0.012 0.000 0.977 133 Q CA 1.764 57.506 55.803 -0.101 0.000 0.850 133 Q CB -0.043 28.304 28.738 -0.651 0.000 0.901 133 Q HN 0.585 nan 8.270 nan 0.000 0.429 134 I N 0.619 121.135 120.570 -0.091 0.000 2.110 134 I HA -0.287 3.879 4.170 -0.007 0.000 0.236 134 I C 2.477 178.556 176.117 -0.064 0.000 1.068 134 I CA 0.919 62.139 61.300 -0.133 0.000 1.333 134 I CB -0.492 37.341 38.000 -0.279 0.000 1.054 134 I HN 0.113 nan 8.210 nan 0.000 0.402 135 R N 1.160 121.629 120.500 -0.052 0.000 2.140 135 R HA -0.190 4.146 4.340 -0.007 0.000 0.250 135 R C 2.087 178.438 176.300 0.085 0.000 1.150 135 R CA 1.697 57.802 56.100 0.009 0.000 0.966 135 R CB -1.369 28.942 30.300 0.018 0.000 0.869 135 R HN 0.466 nan 8.270 nan 0.000 0.445 136 I N -0.450 120.184 120.570 0.108 0.000 2.113 136 I HA -0.284 3.882 4.170 -0.007 0.000 0.238 136 I C 2.573 178.812 176.117 0.204 0.000 1.070 136 I CA 1.654 63.036 61.300 0.137 0.000 1.332 136 I CB -0.560 37.526 38.000 0.143 0.000 1.044 136 I HN 0.180 nan 8.210 nan 0.000 0.402 137 H N 0.898 120.069 119.070 0.168 0.000 2.289 137 H HA -0.247 4.305 4.556 -0.007 0.000 0.296 137 H C 2.007 177.502 175.328 0.279 0.000 1.091 137 H CA 2.032 58.217 56.048 0.229 0.000 1.274 137 H CB -0.651 29.294 29.762 0.305 0.000 1.364 137 H HN 0.376 nan 8.280 nan 0.000 0.490 138 Y N -0.563 119.695 120.300 -0.070 0.000 2.574 138 Y HA -0.026 4.521 4.550 -0.006 0.000 0.294 138 Y C 2.085 177.933 175.900 -0.088 0.000 1.142 138 Y CA -0.048 57.974 58.100 -0.131 0.000 1.314 138 Y CB -0.017 38.415 38.460 -0.045 0.000 0.991 138 Y HN 0.508 nan 8.280 nan 0.000 0.555 139 G N 0.914 109.772 108.800 0.098 0.000 2.269 139 G HA2 -0.428 3.528 3.960 -0.007 0.000 0.277 139 G HA3 -0.428 3.528 3.960 -0.007 0.000 0.277 139 G C 0.736 175.659 174.900 0.038 0.000 1.008 139 G CA 0.997 46.123 45.100 0.043 0.000 0.774 139 G HN 0.516 nan 8.290 nan 0.000 0.511 140 E N -0.192 120.053 120.200 0.076 0.000 2.033 140 E HA -0.006 4.340 4.350 -0.007 0.000 0.189 140 E C 1.240 177.855 176.600 0.026 0.000 0.979 140 E CA 0.377 56.810 56.400 0.055 0.000 0.802 140 E CB 0.011 29.767 29.700 0.092 0.000 0.763 140 E HN 0.443 nan 8.360 nan 0.000 0.449 141 D N -0.109 120.315 120.400 0.041 0.000 2.493 141 D HA -0.058 4.578 4.640 -0.007 0.000 0.240 141 D C 0.450 176.738 176.300 -0.019 0.000 1.142 141 D CA 0.338 54.362 54.000 0.040 0.000 0.872 141 D CB 1.458 42.312 40.800 0.091 0.000 1.173 141 D HN 0.064 nan 8.370 nan 0.000 0.467 142 T N 3.376 117.834 114.554 -0.160 0.000 2.588 142 T HA -0.202 4.144 4.350 -0.007 0.000 0.261 142 T C 0.322 174.878 174.700 -0.239 0.000 1.069 142 T CA 1.212 63.117 62.100 -0.324 0.000 1.172 142 T CB -0.474 67.989 68.868 -0.674 0.000 0.863 142 T HN 0.561 nan 8.240 nan 0.000 0.408 143 H N 2.297 121.365 119.070 -0.003 0.000 3.392 143 H HA 0.342 4.894 4.556 -0.006 0.000 0.253 143 H C 1.400 176.759 175.328 0.051 0.000 1.682 143 H CA -0.314 55.743 56.048 0.016 0.000 1.535 143 H CB -1.069 28.686 29.762 -0.011 0.000 1.823 143 H HN 0.187 nan 8.280 nan 0.000 0.576 144 V N 0.092 120.080 119.914 0.124 0.000 2.244 144 V HA -0.252 3.864 4.120 -0.007 0.000 0.244 144 V C 1.988 178.138 176.094 0.094 0.000 1.042 144 V CA 1.957 64.312 62.300 0.091 0.000 1.006 144 V CB -0.980 30.869 31.823 0.044 0.000 0.641 144 V HN 0.594 nan 8.190 nan 0.000 0.446 145 T N -0.176 114.429 114.554 0.085 0.000 2.701 145 T HA -0.337 4.009 4.350 -0.007 0.000 0.265 145 T C 1.607 176.361 174.700 0.090 0.000 1.032 145 T CA 3.016 65.159 62.100 0.071 0.000 1.158 145 T CB -0.639 68.274 68.868 0.075 0.000 0.854 145 T HN 0.788 nan 8.240 nan 0.000 0.463 146 Y N 1.047 121.349 120.300 0.004 0.000 2.184 146 Y HA 0.071 4.617 4.550 -0.007 0.000 0.290 146 Y C 2.079 177.943 175.900 -0.059 0.000 1.129 146 Y CA 0.951 59.027 58.100 -0.040 0.000 1.144 146 Y CB -0.355 38.059 38.460 -0.078 0.000 0.995 146 Y HN 0.128 nan 8.280 nan 0.000 0.513 147 L N -0.277 120.987 121.223 0.068 0.000 2.042 147 L HA -0.257 4.079 4.340 -0.007 0.000 0.210 147 L C 2.225 179.041 176.870 -0.089 0.000 1.076 147 L CA 1.304 56.123 54.840 -0.034 0.000 0.749 147 L CB -0.627 41.459 42.059 0.044 0.000 0.893 147 L HN 0.283 nan 8.230 nan 0.000 0.432 148 L N -1.549 119.643 121.223 -0.053 0.000 2.395 148 L HA -0.065 4.271 4.340 -0.007 0.000 0.218 148 L C 2.436 179.254 176.870 -0.087 0.000 1.130 148 L CA 0.352 55.156 54.840 -0.061 0.000 0.826 148 L CB -0.288 41.746 42.059 -0.041 0.000 0.941 148 L HN 0.144 nan 8.230 nan 0.000 0.451 149 S N -0.094 115.528 115.700 -0.129 0.000 2.446 149 S HA 0.066 4.532 4.470 -0.007 0.000 0.225 149 S C 1.940 176.431 174.600 -0.182 0.000 1.016 149 S CA 0.540 58.654 58.200 -0.142 0.000 0.943 149 S CB 0.066 63.166 63.200 -0.166 0.000 0.786 149 S HN 0.278 nan 8.310 nan 0.000 0.508 150 I N 1.308 121.721 120.570 -0.261 0.000 2.252 150 I HA -0.149 4.017 4.170 -0.007 0.000 0.245 150 I C 1.953 178.009 176.117 -0.100 0.000 1.102 150 I CA 0.757 61.931 61.300 -0.210 0.000 1.385 150 I CB -0.320 37.535 38.000 -0.242 0.000 1.064 150 I HN 0.249 nan 8.210 nan 0.000 0.414 151 I N 0.558 121.068 120.570 -0.100 0.000 2.091 151 I HA -0.311 3.855 4.170 -0.007 0.000 0.239 151 I C 2.610 178.700 176.117 -0.045 0.000 1.061 151 I CA 1.710 62.961 61.300 -0.082 0.000 1.317 151 I CB -1.181 36.764 38.000 -0.093 0.000 1.031 151 I HN 0.254 nan 8.210 nan 0.000 0.401 152 L N 0.520 121.721 121.223 -0.036 0.000 2.129 152 L HA -0.244 4.092 4.340 -0.007 0.000 0.212 152 L C 2.361 179.259 176.870 0.046 0.000 1.087 152 L CA 1.889 56.730 54.840 0.002 0.000 0.757 152 L CB -0.723 41.335 42.059 -0.002 0.000 0.896 152 L HN 0.236 nan 8.230 nan 0.000 0.434 153 Q N -1.886 117.942 119.800 0.047 0.000 2.250 153 Q HA -0.013 4.323 4.340 -0.007 0.000 0.200 153 Q C 1.933 178.035 176.000 0.170 0.000 0.941 153 Q CA 0.773 56.641 55.803 0.108 0.000 0.872 153 Q CB -0.164 28.637 28.738 0.105 0.000 0.965 153 Q HN 0.425 nan 8.270 nan 0.000 0.480 154 L N -0.340 120.961 121.223 0.131 0.000 2.093 154 L HA -0.117 4.219 4.340 -0.007 0.000 0.208 154 L C 1.563 178.666 176.870 0.388 0.000 1.085 154 L CA 1.306 56.262 54.840 0.193 0.000 0.755 154 L CB -0.558 41.499 42.059 -0.003 0.000 0.904 154 L HN 0.254 nan 8.230 nan 0.000 0.435 155 L N -0.427 120.945 121.223 0.249 0.000 1.973 155 L HA -0.182 4.154 4.340 -0.007 0.000 0.208 155 L C 2.140 179.194 176.870 0.307 0.000 1.073 155 L CA 1.680 56.705 54.840 0.308 0.000 0.746 155 L CB -1.206 40.935 42.059 0.136 0.000 0.891 155 L HN 0.283 nan 8.230 nan 0.000 0.433 156 N N -0.524 118.290 118.700 0.190 0.000 2.417 156 N HA -0.226 4.510 4.740 -0.007 0.000 0.187 156 N C 1.569 177.153 175.510 0.124 0.000 1.027 156 N CA 1.032 54.160 53.050 0.130 0.000 0.891 156 N CB -0.181 38.361 38.487 0.092 0.000 0.956 156 N HN 0.342 nan 8.380 nan 0.000 0.442 157 K N -1.171 119.358 120.400 0.214 0.000 2.354 157 K HA 0.132 4.448 4.320 -0.007 0.000 0.194 157 K C -0.496 176.013 176.600 -0.151 0.000 1.038 157 K CA 0.170 56.504 56.287 0.078 0.000 1.052 157 K CB 0.378 32.973 32.500 0.158 0.000 0.861 157 K HN -0.002 nan 8.250 nan 0.000 0.535 158 F N 0.335 120.279 119.950 -0.010 0.000 2.679 158 F HA 0.413 4.935 4.527 -0.008 0.000 0.341 158 F C -0.252 175.447 175.800 -0.168 0.000 1.095 158 F CA -1.310 56.577 58.000 -0.189 0.000 1.004 158 F CB 1.245 39.925 39.000 -0.535 0.000 1.388 158 F HN -0.426 nan 8.300 nan 0.000 0.505 159 K N 1.891 122.268 120.400 -0.038 0.000 2.419 159 K HA 0.307 4.623 4.320 -0.007 0.000 0.244 159 K C -1.402 175.198 176.600 -0.001 0.000 1.045 159 K CA -0.295 55.995 56.287 0.006 0.000 1.004 159 K CB 0.387 32.882 32.500 -0.009 0.000 1.376 159 K HN 0.436 nan 8.250 nan 0.000 0.460 160 Y N 0.606 121.062 120.300 0.261 0.000 2.295 160 Y HA 0.069 4.616 4.550 -0.007 0.000 0.331 160 Y C 1.569 177.687 175.900 0.363 0.000 1.311 160 Y CA -0.124 58.137 58.100 0.269 0.000 1.430 160 Y CB 0.708 39.310 38.460 0.236 0.000 1.339 160 Y HN 0.407 nan 8.280 nan 0.000 0.552 161 N N -0.008 118.971 118.700 0.464 0.000 2.205 161 N HA 0.059 4.795 4.740 -0.007 0.000 0.201 161 N C 0.258 175.994 175.510 0.376 0.000 1.128 161 N CA 0.179 53.463 53.050 0.390 0.000 0.867 161 N CB -0.043 38.591 38.487 0.244 0.000 0.996 161 N HN 0.718 nan 8.380 nan 0.000 0.503 162 F N 0.211 120.132 119.950 -0.049 0.000 2.546 162 F HA -0.474 4.049 4.527 -0.007 0.000 0.676 162 F C 1.189 176.889 175.800 -0.166 0.000 0.489 162 F CA 1.854 59.601 58.000 -0.420 0.000 0.816 162 F CB -0.703 37.991 39.000 -0.510 0.000 1.671 162 F HN -0.004 nan 8.300 nan 0.000 0.264 163 K N 0.027 120.545 120.400 0.196 0.000 2.442 163 K HA -0.159 4.157 4.320 -0.007 0.000 0.199 163 K C 1.192 177.817 176.600 0.042 0.000 1.044 163 K CA 1.449 57.815 56.287 0.131 0.000 0.941 163 K CB -0.215 32.357 32.500 0.120 0.000 0.759 163 K HN 0.442 nan 8.250 nan 0.000 0.472 164 E N -0.229 119.980 120.200 0.015 0.000 2.473 164 E HA 0.032 4.378 4.350 -0.007 0.000 0.204 164 E C 1.162 177.744 176.600 -0.030 0.000 0.994 164 E CA 0.443 56.846 56.400 0.005 0.000 0.945 164 E CB 0.982 30.739 29.700 0.094 0.000 0.990 164 E HN 0.047 nan 8.360 nan 0.000 0.493 165 V N 0.055 119.820 119.914 -0.249 0.000 3.548 165 V HA 0.119 4.235 4.120 -0.007 0.000 0.279 165 V C 2.021 177.663 176.094 -0.753 0.000 1.446 165 V CA -0.051 61.980 62.300 -0.449 0.000 1.023 165 V CB 0.326 31.762 31.823 -0.644 0.000 0.820 165 V HN 0.049 nan 8.190 nan 0.000 0.438 166 R N 1.462 121.495 120.500 -0.779 0.000 2.185 166 R HA -0.239 4.097 4.340 -0.007 0.000 0.247 166 R C 2.166 178.219 176.300 -0.411 0.000 1.159 166 R CA 2.376 58.011 56.100 -0.775 0.000 0.988 166 R CB -0.374 29.722 30.300 -0.340 0.000 0.871 166 R HN 0.670 nan 8.270 nan 0.000 0.458 167 F N -0.874 118.881 119.950 -0.324 0.000 2.408 167 F HA -0.089 4.434 4.527 -0.007 0.000 0.300 167 F C 1.404 177.072 175.800 -0.221 0.000 1.090 167 F CA 0.357 58.212 58.000 -0.242 0.000 1.427 167 F CB -0.527 38.350 39.000 -0.205 0.000 1.070 167 F HN -0.066 nan 8.300 nan 0.000 0.549 168 L N 0.920 121.478 121.223 -1.109 0.000 2.012 168 L HA -0.175 4.161 4.340 -0.007 0.000 0.210 168 L C 2.602 179.329 176.870 -0.238 0.000 1.073 168 L CA 1.452 55.851 54.840 -0.735 0.000 0.748 168 L CB -1.132 40.534 42.059 -0.654 0.000 0.891 168 L HN 0.182 nan 8.230 nan 0.000 0.431 169 V N -0.450 119.334 119.914 -0.215 0.000 2.220 169 V HA -0.400 3.716 4.120 -0.007 0.000 0.250 169 V C 2.484 178.423 176.094 -0.258 0.000 1.056 169 V CA 2.299 64.561 62.300 -0.064 0.000 1.016 169 V CB -1.035 30.686 31.823 -0.170 0.000 0.639 169 V HN 0.487 nan 8.190 nan 0.000 0.446 170 K N -0.010 120.042 120.400 -0.579 0.000 1.971 170 K HA -0.276 4.040 4.320 -0.007 0.000 0.221 170 K C 2.271 178.584 176.600 -0.479 0.000 1.050 170 K CA 2.223 57.871 56.287 -1.065 0.000 0.967 170 K CB -0.398 31.687 32.500 -0.692 0.000 0.733 170 K HN 0.443 nan 8.250 nan 0.000 0.445 171 E N 0.835 120.915 120.200 -0.200 0.000 2.147 171 E HA -0.221 4.125 4.350 -0.007 0.000 0.199 171 E C 2.108 178.706 176.600 -0.003 0.000 1.005 171 E CA 1.196 57.589 56.400 -0.010 0.000 0.810 171 E CB -0.267 29.487 29.700 0.089 0.000 0.736 171 E HN 0.445 nan 8.360 nan 0.000 0.460 172 L N -0.115 121.082 121.223 -0.043 0.000 2.127 172 L HA -0.013 4.323 4.340 -0.007 0.000 0.203 172 L C 2.505 179.356 176.870 -0.031 0.000 1.080 172 L CA 0.492 55.301 54.840 -0.051 0.000 0.768 172 L CB -0.213 41.786 42.059 -0.100 0.000 0.924 172 L HN 0.077 nan 8.230 nan 0.000 0.444 173 I N -0.151 120.444 120.570 0.042 0.000 2.315 173 I HA -0.300 3.866 4.170 -0.007 0.000 0.248 173 I C 2.308 178.540 176.117 0.191 0.000 1.117 173 I CA 1.208 62.603 61.300 0.157 0.000 1.404 173 I CB -0.131 38.084 38.000 0.358 0.000 1.071 173 I HN 0.232 nan 8.210 nan 0.000 0.419 174 L N 0.472 121.804 121.223 0.182 0.000 2.447 174 L HA -0.146 4.190 4.340 -0.007 0.000 0.225 174 L C 1.774 178.720 176.870 0.127 0.000 1.148 174 L CA 0.978 55.947 54.840 0.214 0.000 0.808 174 L CB -0.262 41.927 42.059 0.217 0.000 0.928 174 L HN 0.239 nan 8.230 nan 0.000 0.448 175 R N -1.114 119.432 120.500 0.078 0.000 2.577 175 R HA 0.111 4.447 4.340 -0.007 0.000 0.344 175 R C 1.489 177.799 176.300 0.018 0.000 1.037 175 R CA -0.136 55.989 56.100 0.041 0.000 1.102 175 R CB 0.256 30.572 30.300 0.026 0.000 1.313 175 R HN 0.141 nan 8.270 nan 0.000 0.561 176 I N 2.144 122.732 120.570 0.030 0.000 2.236 176 I HA -0.349 3.817 4.170 -0.007 0.000 0.249 176 I C 2.056 178.174 176.117 0.001 0.000 1.102 176 I CA 1.826 63.131 61.300 0.008 0.000 1.365 176 I CB -0.183 37.839 38.000 0.037 0.000 1.051 176 I HN 0.160 nan 8.210 nan 0.000 0.420 177 S N -0.283 115.426 115.700 0.014 0.000 2.380 177 S HA -0.224 4.242 4.470 -0.007 0.000 0.229 177 S C 0.979 175.576 174.600 -0.006 0.000 1.043 177 S CA 0.915 59.118 58.200 0.006 0.000 1.038 177 S CB -1.128 62.080 63.200 0.013 0.000 0.872 177 S HN 0.644 nan 8.310 nan 0.000 0.456 178 E N 2.048 122.244 120.200 -0.008 0.000 2.217 178 E HA 0.135 4.481 4.350 -0.007 0.000 0.279 178 E C -0.122 176.466 176.600 -0.020 0.000 1.068 178 E CA -0.214 56.178 56.400 -0.013 0.000 0.882 178 E CB 0.552 30.246 29.700 -0.011 0.000 1.039 178 E HN 0.287 nan 8.360 nan 0.000 0.418 179 D N 2.949 123.338 120.400 -0.019 0.000 2.263 179 D HA -0.175 4.461 4.640 -0.007 0.000 0.208 179 D C 1.443 177.730 176.300 -0.021 0.000 0.971 179 D CA 1.064 55.051 54.000 -0.021 0.000 0.867 179 D CB 0.215 41.005 40.800 -0.017 0.000 0.929 179 D HN 0.566 nan 8.370 nan 0.000 0.492 180 E N 0.061 120.251 120.200 -0.017 0.000 2.152 180 E HA -0.097 4.249 4.350 -0.007 0.000 0.192 180 E C 1.943 178.530 176.600 -0.022 0.000 0.983 180 E CA 0.462 56.854 56.400 -0.012 0.000 0.818 180 E CB 0.375 30.072 29.700 -0.005 0.000 0.758 180 E HN 0.003 nan 8.360 nan 0.000 0.467 181 V N 1.429 121.324 119.914 -0.030 0.000 2.300 181 V HA -0.181 3.935 4.120 -0.007 0.000 0.241 181 V C 2.427 178.470 176.094 -0.084 0.000 1.034 181 V CA 1.600 63.870 62.300 -0.050 0.000 1.021 181 V CB -0.598 31.199 31.823 -0.043 0.000 0.662 181 V HN 0.252 nan 8.190 nan 0.000 0.458 182 K N 0.508 120.861 120.400 -0.077 0.000 2.163 182 K HA -0.313 4.003 4.320 -0.007 0.000 0.210 182 K C 2.283 178.823 176.600 -0.100 0.000 1.048 182 K CA 2.490 58.719 56.287 -0.096 0.000 0.928 182 K CB -0.464 32.001 32.500 -0.059 0.000 0.716 182 K HN 0.425 nan 8.250 nan 0.000 0.459 183 S N -0.124 115.535 115.700 -0.068 0.000 2.345 183 S HA -0.037 4.429 4.470 -0.007 0.000 0.219 183 S C 1.947 176.509 174.600 -0.062 0.000 1.031 183 S CA 0.981 59.150 58.200 -0.052 0.000 0.984 183 S CB -0.062 63.121 63.200 -0.029 0.000 0.874 183 S HN 0.311 nan 8.310 nan 0.000 0.451 184 M N 1.138 120.699 119.600 -0.065 0.000 2.460 184 M HA 0.029 4.505 4.480 -0.007 0.000 0.263 184 M C 1.924 178.158 176.300 -0.111 0.000 1.071 184 M CA 0.946 56.207 55.300 -0.065 0.000 1.096 184 M CB -1.167 31.403 32.600 -0.051 0.000 1.408 184 M HN 0.527 nan 8.290 nan 0.000 0.463 185 M N -0.131 119.355 119.600 -0.190 0.000 2.064 185 M HA -0.196 4.280 4.480 -0.007 0.000 0.260 185 M C 1.890 177.983 176.300 -0.346 0.000 1.073 185 M CA 1.590 56.652 55.300 -0.396 0.000 1.124 185 M CB -0.267 32.006 32.600 -0.545 0.000 1.326 185 M HN 0.165 nan 8.290 nan 0.000 0.410 186 L N 0.582 121.681 121.223 -0.208 0.000 2.064 186 L HA -0.310 4.026 4.340 -0.007 0.000 0.216 186 L C 2.469 179.355 176.870 0.026 0.000 1.077 186 L CA 1.674 56.484 54.840 -0.050 0.000 0.766 186 L CB -1.027 41.023 42.059 -0.015 0.000 0.890 186 L HN 0.466 nan 8.230 nan 0.000 0.435 187 I N -0.145 120.422 120.570 -0.005 0.000 2.072 187 I HA -0.325 3.841 4.170 -0.007 0.000 0.235 187 I C 2.510 178.654 176.117 0.045 0.000 1.058 187 I CA 1.524 62.835 61.300 0.020 0.000 1.320 187 I CB -0.291 37.710 38.000 0.003 0.000 1.047 187 I HN 0.131 nan 8.210 nan 0.000 0.397 188 I N 0.242 120.832 120.570 0.033 0.000 2.236 188 I HA -0.349 3.817 4.170 -0.007 0.000 0.249 188 I C 2.457 178.669 176.117 0.159 0.000 1.102 188 I CA 1.598 62.935 61.300 0.062 0.000 1.365 188 I CB -0.349 37.670 38.000 0.032 0.000 1.051 188 I HN 0.154 nan 8.210 nan 0.000 0.420 189 F N 0.884 120.775 119.950 -0.099 0.000 2.128 189 F HA -0.114 4.409 4.527 -0.007 0.000 0.295 189 F C 2.650 178.326 175.800 -0.207 0.000 1.100 189 F CA 0.938 58.852 58.000 -0.144 0.000 1.260 189 F CB -1.294 37.732 39.000 0.043 0.000 1.009 189 F HN 0.005 nan 8.300 nan 0.000 0.476 190 A N -0.095 122.789 122.820 0.107 0.000 1.917 190 A HA -0.218 4.098 4.320 -0.007 0.000 0.219 190 A C 2.277 179.834 177.584 -0.044 0.000 1.182 190 A CA 1.908 53.965 52.037 0.032 0.000 0.633 190 A CB -0.647 18.382 19.000 0.048 0.000 0.819 190 A HN 0.302 nan 8.150 nan 0.000 0.448 191 E N -0.102 120.077 120.200 -0.035 0.000 2.001 191 E HA -0.164 4.182 4.350 -0.007 0.000 0.195 191 E C 2.122 178.672 176.600 -0.085 0.000 1.002 191 E CA 1.160 57.537 56.400 -0.038 0.000 0.819 191 E CB -0.741 28.962 29.700 0.006 0.000 0.769 191 E HN 0.630 nan 8.360 nan 0.000 0.454 192 L N 1.072 122.217 121.223 -0.129 0.000 2.085 192 L HA -0.344 3.992 4.340 -0.007 0.000 0.218 192 L C 2.799 179.490 176.870 -0.299 0.000 1.080 192 L CA 1.842 56.596 54.840 -0.143 0.000 0.776 192 L CB -0.611 41.059 42.059 -0.648 0.000 0.891 192 L HN 0.226 nan 8.230 nan 0.000 0.437 193 Q N 0.805 120.235 119.800 -0.617 0.000 1.891 193 Q HA -0.230 4.106 4.340 -0.007 0.000 0.214 193 Q C 2.089 178.067 176.000 -0.037 0.000 0.995 193 Q CA 2.658 58.299 55.803 -0.270 0.000 0.866 193 Q CB -0.604 28.082 28.738 -0.088 0.000 0.931 193 Q HN 0.497 nan 8.270 nan 0.000 0.422 194 S N -1.155 114.511 115.700 -0.056 0.000 2.641 194 S HA 0.013 4.479 4.470 -0.007 0.000 0.239 194 S C 1.141 175.661 174.600 -0.133 0.000 0.972 194 S CA 0.796 58.962 58.200 -0.057 0.000 0.954 194 S CB -0.151 63.023 63.200 -0.044 0.000 0.767 194 S HN 0.321 nan 8.310 nan 0.000 0.539 195 S N -0.536 115.033 115.700 -0.217 0.000 2.632 195 S HA 0.446 4.912 4.470 -0.007 0.000 0.237 195 S C -0.096 173.904 174.600 -1.000 0.000 1.037 195 S CA -0.525 57.321 58.200 -0.590 0.000 1.009 195 S CB 0.166 62.924 63.200 -0.737 0.000 0.974 195 S HN 0.621 nan 8.310 nan 0.000 0.544 196 F N 1.190 121.167 119.950 0.046 0.000 2.993 196 F HA 0.296 4.818 4.527 -0.007 0.000 0.338 196 F C 0.990 176.788 175.800 -0.004 0.000 1.199 196 F CA -0.636 57.380 58.000 0.028 0.000 1.069 196 F CB -0.082 38.986 39.000 0.114 0.000 1.294 196 F HN -0.187 nan 8.300 nan 0.000 0.513 197 Q N 1.165 121.046 119.800 0.135 0.000 2.478 197 Q HA -0.377 3.959 4.340 -0.007 0.000 0.462 197 Q C 1.445 177.522 176.000 0.129 0.000 0.601 197 Q CA 2.321 58.193 55.803 0.114 0.000 0.953 197 Q CB -0.985 27.776 28.738 0.040 0.000 2.612 197 Q HN 0.421 nan 8.270 nan 0.000 1.022 198 K N 0.870 121.295 120.400 0.042 0.000 2.281 198 K HA -0.114 4.202 4.320 -0.007 0.000 0.203 198 K C 1.650 178.207 176.600 -0.071 0.000 1.046 198 K CA 1.132 57.414 56.287 -0.008 0.000 0.938 198 K CB -0.109 32.378 32.500 -0.023 0.000 0.737 198 K HN 0.314 nan 8.250 nan 0.000 0.458 199 D N 0.186 120.520 120.400 -0.110 0.000 2.178 199 D HA -0.137 4.499 4.640 -0.007 0.000 0.202 199 D C 1.528 177.509 176.300 -0.531 0.000 0.974 199 D CA 0.936 54.738 54.000 -0.331 0.000 0.841 199 D CB 0.043 40.595 40.800 -0.413 0.000 0.953 199 D HN 0.139 nan 8.370 nan 0.000 0.478 200 F N 1.548 121.261 119.950 -0.394 0.000 2.164 200 F HA -0.019 4.504 4.527 -0.007 0.000 0.287 200 F C 1.785 177.561 175.800 -0.041 0.000 1.086 200 F CA 0.885 58.840 58.000 -0.075 0.000 1.249 200 F CB -0.486 38.636 39.000 0.204 0.000 1.059 200 F HN -0.276 nan 8.300 nan 0.000 0.490 201 D N 0.418 120.711 120.400 -0.177 0.000 2.244 201 D HA -0.245 4.391 4.640 -0.007 0.000 0.197 201 D C 1.860 177.995 176.300 -0.274 0.000 1.006 201 D CA 1.971 55.814 54.000 -0.260 0.000 0.888 201 D CB -0.035 40.740 40.800 -0.041 0.000 0.912 201 D HN 0.390 nan 8.370 nan 0.000 0.452 202 K N -0.997 119.277 120.400 -0.210 0.000 2.308 202 K HA 0.286 4.602 4.320 -0.007 0.000 0.197 202 K C 1.906 178.429 176.600 -0.128 0.000 1.049 202 K CA 0.537 56.737 56.287 -0.145 0.000 0.991 202 K CB 0.383 32.823 32.500 -0.101 0.000 0.836 202 K HN 0.003 nan 8.250 nan 0.000 0.500 203 A N 1.073 123.808 122.820 -0.140 0.000 2.067 203 A HA -0.080 4.236 4.320 -0.007 0.000 0.219 203 A C 2.172 179.724 177.584 -0.053 0.000 1.158 203 A CA 1.142 53.163 52.037 -0.027 0.000 0.661 203 A CB -0.432 18.660 19.000 0.155 0.000 0.801 203 A HN 0.037 nan 8.150 nan 0.000 0.452 204 V N -0.480 119.297 119.914 -0.230 0.000 2.302 204 V HA -0.174 3.942 4.120 -0.007 0.000 0.243 204 V C 2.517 178.590 176.094 -0.035 0.000 1.036 204 V CA 1.824 64.015 62.300 -0.182 0.000 1.020 204 V CB -0.827 30.730 31.823 -0.444 0.000 0.657 204 V HN 0.356 nan 8.190 nan 0.000 0.453 205 V N 0.466 120.328 119.914 -0.087 0.000 2.490 205 V HA -0.274 3.842 4.120 -0.007 0.000 0.250 205 V C 2.115 178.202 176.094 -0.013 0.000 1.061 205 V CA 2.199 64.472 62.300 -0.043 0.000 1.064 205 V CB -0.875 30.913 31.823 -0.059 0.000 0.670 205 V HN 0.527 nan 8.190 nan 0.000 0.461 206 D N -0.447 119.955 120.400 0.003 0.000 2.097 206 D HA -0.135 4.501 4.640 -0.007 0.000 0.197 206 D C 1.810 178.156 176.300 0.077 0.000 0.984 206 D CA 1.132 55.151 54.000 0.032 0.000 0.826 206 D CB -0.245 40.581 40.800 0.042 0.000 0.973 206 D HN 0.407 nan 8.370 nan 0.000 0.460 207 F N 0.889 120.827 119.950 -0.019 0.000 2.075 207 F HA -0.161 4.362 4.527 -0.006 0.000 0.297 207 F C 2.077 177.887 175.800 0.017 0.000 1.113 207 F CA 1.211 59.214 58.000 0.005 0.000 1.218 207 F CB -0.321 38.687 39.000 0.013 0.000 0.984 207 F HN -0.141 nan 8.300 nan 0.000 0.472 208 M N -0.305 119.225 119.600 -0.117 0.000 2.144 208 M HA -0.240 4.236 4.480 -0.007 0.000 0.260 208 M C 2.555 178.755 176.300 -0.167 0.000 1.067 208 M CA 1.812 57.009 55.300 -0.172 0.000 1.095 208 M CB -1.791 30.803 32.600 -0.009 0.000 1.365 208 M HN 0.335 nan 8.290 nan 0.000 0.406 209 S N -0.159 115.478 115.700 -0.104 0.000 2.370 209 S HA -0.146 4.320 4.470 -0.007 0.000 0.226 209 S C 2.175 176.707 174.600 -0.113 0.000 1.033 209 S CA 1.887 60.039 58.200 -0.079 0.000 1.011 209 S CB -0.222 62.952 63.200 -0.045 0.000 0.852 209 S HN 0.552 nan 8.310 nan 0.000 0.457 210 S N 0.587 116.190 115.700 -0.162 0.000 2.370 210 S HA -0.046 4.420 4.470 -0.007 0.000 0.226 210 S C 1.790 176.266 174.600 -0.207 0.000 1.033 210 S CA 1.470 59.568 58.200 -0.170 0.000 1.011 210 S CB -0.500 62.583 63.200 -0.195 0.000 0.852 210 S HN 0.581 nan 8.310 nan 0.000 0.457 211 L N 0.741 121.778 121.223 -0.310 0.000 2.044 211 L HA -0.002 4.334 4.340 -0.007 0.000 0.205 211 L C 2.426 179.231 176.870 -0.109 0.000 1.075 211 L CA 1.131 55.836 54.840 -0.224 0.000 0.747 211 L CB -0.616 41.285 42.059 -0.264 0.000 0.903 211 L HN 0.345 nan 8.230 nan 0.000 0.435 212 I N -0.485 120.030 120.570 -0.092 0.000 2.264 212 I HA -0.259 3.907 4.170 -0.007 0.000 0.248 212 I C 2.529 178.610 176.117 -0.060 0.000 1.111 212 I CA 1.064 62.328 61.300 -0.061 0.000 1.382 212 I CB -0.296 37.669 38.000 -0.057 0.000 1.060 212 I HN 0.067 nan 8.210 nan 0.000 0.418 213 V N 0.769 120.645 119.914 -0.063 0.000 2.427 213 V HA -0.255 3.861 4.120 -0.007 0.000 0.248 213 V C 2.360 178.428 176.094 -0.043 0.000 1.051 213 V CA 1.772 64.043 62.300 -0.049 0.000 1.048 213 V CB -0.503 31.294 31.823 -0.044 0.000 0.666 213 V HN 0.418 nan 8.190 nan 0.000 0.456 214 E N 0.040 120.210 120.200 -0.051 0.000 2.077 214 E HA -0.209 4.137 4.350 -0.007 0.000 0.193 214 E C 2.256 178.836 176.600 -0.033 0.000 0.989 214 E CA 1.376 57.753 56.400 -0.039 0.000 0.800 214 E CB -0.303 29.370 29.700 -0.045 0.000 0.746 214 E HN 0.600 nan 8.360 nan 0.000 0.452 215 A N 0.696 123.495 122.820 -0.035 0.000 2.067 215 A HA -0.178 4.138 4.320 -0.007 0.000 0.219 215 A C 1.914 179.478 177.584 -0.033 0.000 1.158 215 A CA 1.318 53.337 52.037 -0.031 0.000 0.661 215 A CB -0.205 18.783 19.000 -0.020 0.000 0.801 215 A HN 0.112 nan 8.150 nan 0.000 0.452 216 E N 0.006 120.185 120.200 -0.035 0.000 2.158 216 E HA 0.005 4.351 4.350 -0.007 0.000 0.191 216 E C 1.547 178.132 176.600 -0.024 0.000 0.982 216 E CA 0.916 57.296 56.400 -0.032 0.000 0.823 216 E CB -0.178 29.501 29.700 -0.035 0.000 0.766 216 E HN 0.663 nan 8.360 nan 0.000 0.468 217 I N 0.063 120.619 120.570 -0.023 0.000 3.226 217 I HA -0.033 4.133 4.170 -0.007 0.000 0.277 217 I C -0.112 175.994 176.117 -0.017 0.000 1.243 217 I CA 0.254 61.543 61.300 -0.018 0.000 1.459 217 I CB 0.152 38.143 38.000 -0.016 0.000 1.093 217 I HN -0.014 nan 8.210 nan 0.000 0.453 218 D N 1.536 121.924 120.400 -0.021 0.000 2.786 218 D HA -0.096 4.540 4.640 -0.007 0.000 0.243 218 D C -0.645 175.643 176.300 -0.019 0.000 1.084 218 D CA 0.384 54.371 54.000 -0.021 0.000 0.731 218 D CB -0.943 39.846 40.800 -0.018 0.000 1.079 218 D HN 0.187 nan 8.370 nan 0.000 0.435 219 V N -1.083 118.819 119.914 -0.019 0.000 3.049 219 V HA 0.901 5.017 4.120 -0.007 0.000 0.309 219 V C -0.011 176.075 176.094 -0.013 0.000 1.148 219 V CA 1.002 63.294 62.300 -0.014 0.000 0.990 219 V CB 1.966 33.783 31.823 -0.010 0.000 1.039 219 V HN 0.948 nan 8.190 nan 0.000 0.430 220 G N 3.884 112.679 108.800 -0.008 0.000 2.459 220 G HA2 -0.091 3.865 3.960 -0.007 0.000 0.685 220 G HA3 -0.091 3.865 3.960 -0.007 0.000 0.685 220 G C -0.097 174.801 174.900 -0.003 0.000 1.303 220 G CA -0.087 45.011 45.100 -0.002 0.000 0.907 220 G HN 1.052 nan 8.290 nan 0.000 0.632 221 N N 0.649 119.353 118.700 0.007 0.000 2.364 221 N HA 0.023 4.759 4.740 -0.007 0.000 0.183 221 N C 0.684 176.192 175.510 -0.003 0.000 1.022 221 N CA 1.850 54.903 53.050 0.004 0.000 0.883 221 N CB 0.048 38.545 38.487 0.018 0.000 0.965 221 N HN 1.080 nan 8.380 nan 0.000 0.438 222 D N -2.080 118.318 120.400 -0.004 0.000 3.351 222 D HA -0.025 4.611 4.640 -0.007 0.000 0.108 222 D C -2.311 173.991 176.300 0.003 0.000 0.777 222 D CA -0.541 53.449 54.000 -0.018 0.000 1.872 222 D CB -0.801 39.984 40.800 -0.024 0.000 0.405 222 D HN -0.071 nan 8.370 nan 0.000 0.834 223 P HA -0.155 nan 4.420 nan 0.000 0.202 223 P C 2.192 179.531 177.300 0.066 0.000 1.121 223 P CA 0.882 63.992 63.100 0.017 0.000 0.939 223 P CB -0.011 31.685 31.700 -0.008 0.000 0.761 224 L N -1.020 120.255 121.223 0.086 0.000 2.272 224 L HA -0.386 3.950 4.340 -0.007 0.000 0.233 224 L C 2.334 179.387 176.870 0.305 0.000 1.125 224 L CA 2.350 57.326 54.840 0.226 0.000 0.851 224 L CB -1.328 40.807 42.059 0.126 0.000 0.933 224 L HN 0.125 nan 8.230 nan 0.000 0.452 225 S N -0.487 115.332 115.700 0.199 0.000 2.348 225 S HA -0.139 4.327 4.470 -0.007 0.000 0.221 225 S C 1.825 176.515 174.600 0.150 0.000 1.033 225 S CA 1.355 59.693 58.200 0.229 0.000 1.010 225 S CB -0.196 63.091 63.200 0.144 0.000 0.891 225 S HN 0.262 nan 8.310 nan 0.000 0.442 226 I N 2.032 122.672 120.570 0.117 0.000 2.113 226 I HA -0.209 3.957 4.170 -0.007 0.000 0.242 226 I C 2.203 178.393 176.117 0.122 0.000 1.064 226 I CA 1.319 62.684 61.300 0.110 0.000 1.320 226 I CB -1.556 36.511 38.000 0.112 0.000 1.028 226 I HN 0.264 nan 8.210 nan 0.000 0.406 227 I N 0.175 120.831 120.570 0.142 0.000 2.052 227 I HA -0.318 3.848 4.170 -0.007 0.000 0.235 227 I C 2.648 178.862 176.117 0.162 0.000 1.046 227 I CA 1.485 62.889 61.300 0.173 0.000 1.308 227 I CB -0.648 37.501 38.000 0.248 0.000 1.031 227 I HN -0.018 nan 8.210 nan 0.000 0.395 228 V N 0.881 120.889 119.914 0.157 0.000 2.250 228 V HA -0.389 3.727 4.120 -0.007 0.000 0.253 228 V C 2.466 178.524 176.094 -0.058 0.000 1.065 228 V CA 2.209 64.473 62.300 -0.060 0.000 1.039 228 V CB -0.854 30.829 31.823 -0.233 0.000 0.647 228 V HN 0.405 nan 8.190 nan 0.000 0.446 229 K N -0.605 119.788 120.400 -0.011 0.000 2.063 229 K HA -0.185 4.131 4.320 -0.007 0.000 0.208 229 K C 2.211 178.822 176.600 0.018 0.000 1.048 229 K CA 1.984 58.263 56.287 -0.014 0.000 0.928 229 K CB -0.495 32.011 32.500 0.009 0.000 0.713 229 K HN 0.506 nan 8.250 nan 0.000 0.442 230 T N 1.895 116.486 114.554 0.061 0.000 2.777 230 T HA -0.055 4.291 4.350 -0.007 0.000 0.266 230 T C 1.891 176.647 174.700 0.093 0.000 1.040 230 T CA 0.833 62.986 62.100 0.089 0.000 1.141 230 T CB -0.128 68.824 68.868 0.140 0.000 0.868 230 T HN 0.085 nan 8.240 nan 0.000 0.444 231 L N 1.424 122.702 121.223 0.093 0.000 1.955 231 L HA -0.169 4.167 4.340 -0.007 0.000 0.213 231 L C 3.000 179.979 176.870 0.182 0.000 1.072 231 L CA 1.816 56.728 54.840 0.121 0.000 0.755 231 L CB -0.912 41.216 42.059 0.115 0.000 0.888 231 L HN 0.385 nan 8.230 nan 0.000 0.432 232 S N -0.559 115.180 115.700 0.066 0.000 2.374 232 S HA -0.292 4.174 4.470 -0.007 0.000 0.227 232 S C 1.827 176.473 174.600 0.076 0.000 1.037 232 S CA 1.736 59.951 58.200 0.025 0.000 1.024 232 S CB -0.475 62.665 63.200 -0.100 0.000 0.861 232 S HN 0.393 nan 8.310 nan 0.000 0.456 233 E N 0.906 121.139 120.200 0.055 0.000 2.106 233 E HA 0.058 4.404 4.350 -0.007 0.000 0.192 233 E C 1.389 178.039 176.600 0.083 0.000 0.984 233 E CA 0.790 57.219 56.400 0.049 0.000 0.806 233 E CB -0.331 29.381 29.700 0.020 0.000 0.750 233 E HN 0.489 nan 8.360 nan 0.000 0.458 234 L N 0.250 121.539 121.223 0.109 0.000 2.653 234 L HA 0.147 4.483 4.340 -0.007 0.000 0.231 234 L C 0.874 177.798 176.870 0.090 0.000 1.153 234 L CA 0.244 55.155 54.840 0.118 0.000 0.933 234 L CB -0.433 41.712 42.059 0.145 0.000 1.175 234 L HN 0.181 nan 8.230 nan 0.000 0.473 235 Y N 1.235 121.556 120.300 0.034 0.000 2.133 235 Y HA -0.161 4.385 4.550 -0.007 0.000 0.287 235 Y C -0.308 175.618 175.900 0.043 0.000 1.134 235 Y CA 2.009 60.125 58.100 0.027 0.000 1.133 235 Y CB -1.146 37.307 38.460 -0.011 0.000 0.987 235 Y HN 0.202 nan 8.280 nan 0.000 0.502 236 P HA -0.145 nan 4.420 nan 0.000 0.216 236 P C 1.777 179.140 177.300 0.106 0.000 1.153 236 P CA 2.401 65.589 63.100 0.148 0.000 0.848 236 P CB 0.021 31.788 31.700 0.112 0.000 0.787 237 S N -0.848 114.914 115.700 0.104 0.000 2.368 237 S HA -0.041 4.425 4.470 -0.007 0.000 0.225 237 S C 1.080 175.738 174.600 0.096 0.000 1.030 237 S CA 1.055 59.320 58.200 0.107 0.000 0.999 237 S CB -0.544 62.744 63.200 0.146 0.000 0.844 237 S HN 0.106 nan 8.310 nan 0.000 0.459 238 L N 1.700 122.958 121.223 0.058 0.000 2.861 238 L HA 0.202 4.538 4.340 -0.007 0.000 0.290 238 L C 1.470 178.289 176.870 -0.086 0.000 1.346 238 L CA -0.278 54.572 54.840 0.016 0.000 0.779 238 L CB 0.145 42.225 42.059 0.036 0.000 1.143 238 L HN 0.257 nan 8.230 nan 0.000 0.548 239 T N -3.662 110.864 114.554 -0.046 0.000 2.531 239 T HA -0.397 3.949 4.350 -0.007 0.000 0.261 239 T C 1.883 176.510 174.700 -0.122 0.000 1.141 239 T CA 2.585 64.647 62.100 -0.063 0.000 1.176 239 T CB -0.536 68.381 68.868 0.082 0.000 0.863 239 T HN 0.434 nan 8.240 nan 0.000 0.424 240 T N 1.321 115.855 114.554 -0.034 0.000 2.620 240 T HA -0.184 4.162 4.350 -0.007 0.000 0.267 240 T C 1.911 176.572 174.700 -0.064 0.000 1.044 240 T CA 1.988 64.074 62.100 -0.024 0.000 1.161 240 T CB -0.788 68.079 68.868 -0.002 0.000 0.862 240 T HN 0.428 nan 8.240 nan 0.000 0.438 241 L N 0.338 121.511 121.223 -0.083 0.000 1.944 241 L HA -0.161 4.175 4.340 -0.007 0.000 0.218 241 L C 3.050 179.842 176.870 -0.129 0.000 1.075 241 L CA 2.415 57.200 54.840 -0.092 0.000 0.767 241 L CB -0.791 41.218 42.059 -0.083 0.000 0.890 241 L HN 0.506 nan 8.230 nan 0.000 0.434 242 C N -0.717 118.432 119.300 -0.251 0.000 2.385 242 C HA -0.231 4.225 4.460 -0.007 0.000 0.275 242 C C 3.005 177.917 174.990 -0.131 0.000 1.199 242 C CA 1.297 60.124 59.018 -0.319 0.000 1.782 242 C CB -1.355 25.860 27.740 -0.875 0.000 2.068 242 C HN 0.636 nan 8.230 nan 0.000 0.471 243 S N -0.164 115.468 115.700 -0.114 0.000 2.368 243 S HA -0.215 4.251 4.470 -0.007 0.000 0.225 243 S C 1.742 176.388 174.600 0.077 0.000 1.030 243 S CA 1.384 59.670 58.200 0.143 0.000 0.999 243 S CB -0.496 62.787 63.200 0.139 0.000 0.844 243 S HN 0.775 nan 8.310 nan 0.000 0.459 244 E N 0.181 120.387 120.200 0.009 0.000 2.510 244 E HA -0.041 4.305 4.350 -0.007 0.000 0.202 244 E C 1.227 177.832 176.600 0.007 0.000 1.072 244 E CA 0.568 56.963 56.400 -0.008 0.000 0.883 244 E CB 0.015 29.700 29.700 -0.024 0.000 0.818 244 E HN 0.537 nan 8.360 nan 0.000 0.548 245 I N -1.169 119.434 120.570 0.055 0.000 4.197 245 I HA -0.031 4.135 4.170 -0.007 0.000 0.307 245 I C 1.661 177.895 176.117 0.194 0.000 1.236 245 I CA -0.179 61.172 61.300 0.085 0.000 1.321 245 I CB -0.074 37.974 38.000 0.079 0.000 1.309 245 I HN 0.093 nan 8.210 nan 0.000 0.450 246 F N 1.582 121.579 119.950 0.078 0.000 2.250 246 F HA -0.234 4.289 4.527 -0.007 0.000 0.301 246 F C 2.148 178.006 175.800 0.097 0.000 1.077 246 F CA 0.987 59.092 58.000 0.175 0.000 1.348 246 F CB 0.389 39.550 39.000 0.268 0.000 1.040 246 F HN -0.032 nan 8.300 nan 0.000 0.509 247 L N 0.313 121.470 121.223 -0.111 0.000 2.049 247 L HA -0.076 4.260 4.340 -0.007 0.000 0.203 247 L C 0.840 177.621 176.870 -0.148 0.000 1.074 247 L CA 1.293 55.938 54.840 -0.325 0.000 0.749 247 L CB -1.620 40.253 42.059 -0.310 0.000 0.907 247 L HN -0.021 nan 8.230 nan 0.000 0.439 248 T N 1.463 115.974 114.554 -0.071 0.000 1.844 248 T HA -0.269 4.077 4.350 -0.007 0.000 0.463 248 T C 1.339 176.002 174.700 -0.061 0.000 1.016 248 T CA 0.901 62.970 62.100 -0.051 0.000 2.442 248 T CB 0.012 68.862 68.868 -0.030 0.000 1.384 248 T HN 0.317 nan 8.240 nan 0.000 0.391 249 K N 3.024 123.394 120.400 -0.050 0.000 1.975 249 K HA -0.304 4.012 4.320 -0.007 0.000 0.233 249 K C 2.304 178.875 176.600 -0.049 0.000 0.991 249 K CA 2.421 58.683 56.287 -0.042 0.000 1.022 249 K CB -0.852 31.627 32.500 -0.035 0.000 0.723 249 K HN 0.811 nan 8.250 nan 0.000 0.473 250 G N 0.188 108.953 108.800 -0.058 0.000 2.712 250 G HA2 -0.105 3.851 3.960 -0.007 0.000 0.212 250 G HA3 -0.105 3.851 3.960 -0.007 0.000 0.212 250 G C 1.276 176.107 174.900 -0.115 0.000 1.142 250 G CA 0.349 45.408 45.100 -0.068 0.000 0.789 250 G HN 0.298 nan 8.290 nan 0.000 0.535 251 L N 2.382 123.510 121.223 -0.158 0.000 1.990 251 L HA -0.162 4.174 4.340 -0.007 0.000 0.213 251 L C 3.105 179.734 176.870 -0.401 0.000 1.072 251 L CA 2.660 57.300 54.840 -0.333 0.000 0.755 251 L CB -0.892 40.986 42.059 -0.300 0.000 0.889 251 L HN 0.324 nan 8.230 nan 0.000 0.432 252 S N -0.874 114.734 115.700 -0.154 0.000 2.392 252 S HA -0.354 4.112 4.470 -0.007 0.000 0.232 252 S C 2.026 176.640 174.600 0.023 0.000 1.041 252 S CA 1.795 60.013 58.200 0.029 0.000 1.026 252 S CB -0.744 62.445 63.200 -0.018 0.000 0.845 252 S HN 0.640 nan 8.310 nan 0.000 0.465 253 K N 0.931 121.303 120.400 -0.046 0.000 1.991 253 K HA 0.030 4.346 4.320 -0.007 0.000 0.207 253 K C 2.038 178.650 176.600 0.020 0.000 1.045 253 K CA 1.002 57.286 56.287 -0.005 0.000 0.937 253 K CB -0.384 32.106 32.500 -0.016 0.000 0.720 253 K HN 0.251 nan 8.250 nan 0.000 0.438 254 L N 1.015 122.209 121.223 -0.048 0.000 2.051 254 L HA -0.223 4.113 4.340 -0.007 0.000 0.214 254 L C 2.279 179.232 176.870 0.139 0.000 1.076 254 L CA 1.701 56.531 54.840 -0.017 0.000 0.758 254 L CB -0.770 41.230 42.059 -0.099 0.000 0.890 254 L HN 0.185 nan 8.230 nan 0.000 0.433 255 F N 0.021 120.083 119.950 0.186 0.000 2.031 255 F HA -0.221 4.302 4.527 -0.007 0.000 0.295 255 F C 2.428 178.324 175.800 0.160 0.000 1.133 255 F CA 1.219 59.386 58.000 0.279 0.000 1.188 255 F CB -1.229 37.947 39.000 0.293 0.000 0.974 255 F HN -0.008 nan 8.300 nan 0.000 0.473 256 K N 0.337 120.892 120.400 0.258 0.000 2.034 256 K HA -0.256 4.060 4.320 -0.007 0.000 0.214 256 K C 2.059 178.543 176.600 -0.193 0.000 1.051 256 K CA 2.069 58.254 56.287 -0.169 0.000 0.931 256 K CB -0.339 32.083 32.500 -0.130 0.000 0.715 256 K HN 0.144 nan 8.250 nan 0.000 0.446 257 K N 0.286 120.703 120.400 0.029 0.000 2.074 257 K HA -0.235 4.081 4.320 -0.007 0.000 0.209 257 K C 2.225 178.866 176.600 0.067 0.000 1.048 257 K CA 1.763 58.100 56.287 0.083 0.000 0.926 257 K CB -0.120 32.424 32.500 0.073 0.000 0.713 257 K HN 0.078 nan 8.250 nan 0.000 0.444 258 R N 0.480 121.015 120.500 0.058 0.000 2.148 258 R HA -0.076 4.260 4.340 -0.007 0.000 0.227 258 R C 1.698 178.050 176.300 0.087 0.000 1.103 258 R CA 0.858 56.953 56.100 -0.008 0.000 0.983 258 R CB 0.160 30.320 30.300 -0.233 0.000 0.874 258 R HN -0.018 nan 8.270 nan 0.000 0.451 259 V N 0.188 120.174 119.914 0.120 0.000 2.599 259 V HA -0.052 4.064 4.120 -0.007 0.000 0.245 259 V C 1.526 177.699 176.094 0.132 0.000 1.046 259 V CA 1.085 63.443 62.300 0.097 0.000 1.065 259 V CB -0.423 31.354 31.823 -0.078 0.000 0.703 259 V HN 0.141 nan 8.190 nan 0.000 0.464 260 F N 1.596 121.621 119.950 0.125 0.000 2.140 260 F HA 0.042 4.565 4.527 -0.007 0.000 0.278 260 F C 2.326 178.163 175.800 0.061 0.000 1.121 260 F CA 0.763 58.813 58.000 0.084 0.000 1.139 260 F CB -1.388 37.657 39.000 0.076 0.000 1.062 260 F HN 0.240 nan 8.300 nan 0.000 0.501 261 E N 1.082 121.452 120.200 0.284 0.000 2.445 261 E HA -0.019 4.327 4.350 -0.007 0.000 0.204 261 E C -0.497 176.163 176.600 0.099 0.000 1.194 261 E CA 0.522 57.013 56.400 0.151 0.000 0.950 261 E CB -0.637 29.134 29.700 0.119 0.000 0.976 261 E HN 0.502 nan 8.360 nan 0.000 0.519 262 E N -0.336 119.930 120.200 0.110 0.000 2.388 262 E HA 0.073 4.419 4.350 -0.007 0.000 0.280 262 E C -0.431 176.221 176.600 0.086 0.000 1.019 262 E CA -0.484 55.956 56.400 0.068 0.000 0.806 262 E CB 1.581 31.297 29.700 0.025 0.000 1.246 262 E HN 0.002 nan 8.360 nan 0.000 0.443 263 Q N 0.546 120.384 119.800 0.063 0.000 1.896 263 Q HA -0.040 4.296 4.340 -0.007 0.000 0.205 263 Q C -0.208 175.842 176.000 0.083 0.000 0.978 263 Q CA 0.626 56.471 55.803 0.069 0.000 0.850 263 Q CB 0.149 28.914 28.738 0.046 0.000 0.908 263 Q HN 0.504 nan 8.270 nan 0.000 0.431 264 D N 0.045 120.484 120.400 0.065 0.000 2.706 264 D HA -0.191 4.445 4.640 -0.007 0.000 0.230 264 D C 0.562 176.929 176.300 0.110 0.000 1.184 264 D CA 0.124 54.179 54.000 0.093 0.000 0.628 264 D CB -0.502 40.369 40.800 0.120 0.000 1.019 264 D HN 0.146 nan 8.370 nan 0.000 0.415 265 L N 0.820 122.080 121.223 0.060 0.000 2.051 265 L HA -0.282 4.054 4.340 -0.007 0.000 0.214 265 L C 2.530 179.400 176.870 -0.000 0.000 1.076 265 L CA 2.505 57.364 54.840 0.032 0.000 0.758 265 L CB -0.306 41.763 42.059 0.018 0.000 0.890 265 L HN 0.223 nan 8.230 nan 0.000 0.433 266 Q N -1.341 118.465 119.800 0.010 0.000 2.124 266 Q HA -0.266 4.070 4.340 -0.007 0.000 0.202 266 Q C 2.050 178.039 176.000 -0.020 0.000 0.977 266 Q CA 2.021 57.810 55.803 -0.024 0.000 0.850 266 Q CB -0.627 28.110 28.738 -0.002 0.000 0.901 266 Q HN 0.543 nan 8.270 nan 0.000 0.429 267 F N 0.307 120.202 119.950 -0.092 0.000 2.113 267 F HA -0.117 4.406 4.527 -0.007 0.000 0.297 267 F C 1.894 177.608 175.800 -0.143 0.000 1.103 267 F CA 1.973 59.910 58.000 -0.105 0.000 1.248 267 F CB -0.845 38.115 39.000 -0.068 0.000 0.999 267 F HN 0.055 nan 8.300 nan 0.000 0.475 268 T N 1.129 115.600 114.554 -0.138 0.000 2.570 268 T HA -0.351 3.995 4.350 -0.007 0.000 0.266 268 T C 2.052 176.533 174.700 -0.365 0.000 1.071 268 T CA 2.251 64.203 62.100 -0.246 0.000 1.172 268 T CB -0.556 68.271 68.868 -0.068 0.000 0.864 268 T HN 0.258 nan 8.240 nan 0.000 0.421 269 K N 0.606 120.815 120.400 -0.318 0.000 2.107 269 K HA -0.271 4.045 4.320 -0.007 0.000 0.211 269 K C 2.279 178.562 176.600 -0.528 0.000 1.049 269 K CA 2.053 58.050 56.287 -0.484 0.000 0.927 269 K CB -0.186 31.985 32.500 -0.548 0.000 0.714 269 K HN 0.216 nan 8.250 nan 0.000 0.452 270 E N 0.468 120.385 120.200 -0.472 0.000 2.153 270 E HA -0.160 4.186 4.350 -0.007 0.000 0.194 270 E C 1.761 178.036 176.600 -0.542 0.000 0.988 270 E CA 0.767 56.898 56.400 -0.449 0.000 0.811 270 E CB -0.092 29.380 29.700 -0.380 0.000 0.746 270 E HN 0.301 nan 8.360 nan 0.000 0.466 271 L N -0.195 120.607 121.223 -0.701 0.000 2.095 271 L HA 0.018 4.354 4.340 -0.007 0.000 0.204 271 L C 1.834 178.407 176.870 -0.496 0.000 1.080 271 L CA 1.390 55.790 54.840 -0.733 0.000 0.759 271 L CB -0.337 41.220 42.059 -0.837 0.000 0.914 271 L HN 0.193 nan 8.230 nan 0.000 0.439 272 L N -0.706 120.295 121.223 -0.371 0.000 2.261 272 L HA -0.177 4.159 4.340 -0.007 0.000 0.216 272 L C 2.533 179.302 176.870 -0.168 0.000 1.114 272 L CA 0.964 55.678 54.840 -0.210 0.000 0.777 272 L CB -0.598 41.411 42.059 -0.083 0.000 0.910 272 L HN 0.262 nan 8.230 nan 0.000 0.440 273 R N -0.590 119.774 120.500 -0.227 0.000 2.236 273 R HA -0.068 4.268 4.340 -0.007 0.000 0.208 273 R C 1.980 178.145 176.300 -0.225 0.000 1.036 273 R CA 0.556 56.561 56.100 -0.159 0.000 1.001 273 R CB 0.011 30.209 30.300 -0.170 0.000 0.896 273 R HN 0.222 nan 8.270 nan 0.000 0.464 274 L N 0.601 121.625 121.223 -0.333 0.000 2.121 274 L HA 0.009 4.345 4.340 -0.007 0.000 0.200 274 L C 1.855 178.441 176.870 -0.474 0.000 1.077 274 L CA 1.398 55.981 54.840 -0.428 0.000 0.766 274 L CB -0.599 41.130 42.059 -0.551 0.000 0.931 274 L HN 0.021 nan 8.230 nan 0.000 0.452 275 L N -0.486 120.484 121.223 -0.422 0.000 2.064 275 L HA -0.309 4.027 4.340 -0.007 0.000 0.216 275 L C 2.725 179.480 176.870 -0.190 0.000 1.077 275 L CA 1.828 56.501 54.840 -0.279 0.000 0.766 275 L CB -1.019 40.915 42.059 -0.209 0.000 0.890 275 L HN 0.455 nan 8.230 nan 0.000 0.435 276 S N -1.254 114.341 115.700 -0.174 0.000 2.387 276 S HA -0.140 4.326 4.470 -0.007 0.000 0.226 276 S C 2.154 176.651 174.600 -0.173 0.000 1.026 276 S CA 1.502 59.634 58.200 -0.114 0.000 0.972 276 S CB -0.019 63.139 63.200 -0.071 0.000 0.814 276 S HN 0.363 nan 8.310 nan 0.000 0.477 277 S N 0.649 116.178 115.700 -0.284 0.000 2.453 277 S HA 0.197 4.663 4.470 -0.007 0.000 0.231 277 S C 1.850 176.024 174.600 -0.710 0.000 1.005 277 S CA 0.816 58.798 58.200 -0.363 0.000 0.949 277 S CB -0.257 62.751 63.200 -0.321 0.000 0.774 277 S HN 0.657 nan 8.310 nan 0.000 0.510 278 A N -0.432 121.869 122.820 -0.865 0.000 2.169 278 A HA 0.090 4.406 4.320 -0.007 0.000 0.212 278 A C 1.235 178.692 177.584 -0.212 0.000 1.153 278 A CA 0.048 51.510 52.037 -0.959 0.000 0.756 278 A CB -0.555 18.069 19.000 -0.628 0.000 0.813 278 A HN 0.491 nan 8.150 nan 0.000 0.471 279 C N 1.527 120.763 119.300 -0.106 0.000 3.575 279 C HA 0.220 4.676 4.460 -0.007 0.000 0.508 279 C C 1.487 176.522 174.990 0.076 0.000 1.031 279 C CA -0.069 58.978 59.018 0.049 0.000 1.060 279 C CB -2.766 25.023 27.740 0.082 0.000 1.421 279 C HN 0.518 nan 8.230 nan 0.000 0.612 280 I N 1.042 121.676 120.570 0.106 0.000 5.146 280 I HA 0.157 4.323 4.170 -0.007 0.000 0.233 280 I C 0.854 177.041 176.117 0.116 0.000 0.965 280 I CA -0.112 61.262 61.300 0.123 0.000 1.750 280 I CB -0.454 37.651 38.000 0.176 0.000 1.492 280 I HN 0.329 nan 8.210 nan 0.000 0.465 281 D N 1.716 122.192 120.400 0.127 0.000 2.399 281 D HA -0.108 4.528 4.640 -0.007 0.000 0.241 281 D C 0.648 177.011 176.300 0.105 0.000 1.133 281 D CA -0.019 54.041 54.000 0.101 0.000 0.890 281 D CB 1.265 42.121 40.800 0.095 0.000 1.201 281 D HN 0.247 nan 8.370 nan 0.000 0.432 282 E N 1.533 121.781 120.200 0.079 0.000 2.394 282 E HA -0.190 4.156 4.350 -0.007 0.000 0.202 282 E C 1.182 177.843 176.600 0.101 0.000 1.029 282 E CA 1.454 57.901 56.400 0.078 0.000 0.855 282 E CB -0.268 29.459 29.700 0.045 0.000 0.770 282 E HN 0.590 nan 8.360 nan 0.000 0.527 283 T N -0.274 114.346 114.554 0.109 0.000 2.770 283 T HA -0.086 4.260 4.350 -0.007 0.000 0.258 283 T C 1.603 176.417 174.700 0.191 0.000 1.039 283 T CA 1.294 63.470 62.100 0.126 0.000 1.143 283 T CB -0.260 68.666 68.868 0.097 0.000 0.866 283 T HN 0.154 nan 8.240 nan 0.000 0.428 284 M N 1.396 121.121 119.600 0.209 0.000 2.117 284 M HA 0.035 4.511 4.480 -0.007 0.000 0.262 284 M C 2.182 178.682 176.300 0.333 0.000 1.065 284 M CA 1.381 56.865 55.300 0.307 0.000 1.114 284 M CB -0.433 32.349 32.600 0.304 0.000 1.361 284 M HN 0.037 nan 8.290 nan 0.000 0.408 285 R N -0.744 119.899 120.500 0.239 0.000 2.094 285 R HA -0.195 4.141 4.340 -0.007 0.000 0.239 285 R C 1.888 178.316 176.300 0.213 0.000 1.137 285 R CA 2.527 58.757 56.100 0.217 0.000 0.943 285 R CB -0.719 29.687 30.300 0.177 0.000 0.850 285 R HN 0.611 nan 8.270 nan 0.000 0.433 286 T N -1.605 113.062 114.554 0.188 0.000 2.777 286 T HA -0.209 4.137 4.350 -0.007 0.000 0.266 286 T C 1.817 176.614 174.700 0.162 0.000 1.040 286 T CA 1.278 63.470 62.100 0.153 0.000 1.141 286 T CB -0.769 68.173 68.868 0.123 0.000 0.868 286 T HN 0.433 nan 8.240 nan 0.000 0.444 287 Y N 2.482 122.845 120.300 0.104 0.000 2.070 287 Y HA -0.086 4.460 4.550 -0.007 0.000 0.280 287 Y C 2.143 178.119 175.900 0.127 0.000 1.148 287 Y CA 0.971 59.121 58.100 0.082 0.000 1.125 287 Y CB -0.654 37.856 38.460 0.084 0.000 0.975 287 Y HN 0.164 nan 8.280 nan 0.000 0.492 288 I N -0.281 120.446 120.570 0.262 0.000 2.236 288 I HA -0.416 3.750 4.170 -0.007 0.000 0.249 288 I C 2.102 178.321 176.117 0.170 0.000 1.102 288 I CA 1.986 63.489 61.300 0.338 0.000 1.365 288 I CB -0.761 37.476 38.000 0.394 0.000 1.051 288 I HN 0.344 nan 8.210 nan 0.000 0.420 289 T N -0.485 114.130 114.554 0.103 0.000 2.732 289 T HA -0.143 4.203 4.350 -0.007 0.000 0.261 289 T C 1.855 176.540 174.700 -0.026 0.000 1.040 289 T CA 0.879 63.020 62.100 0.068 0.000 1.145 289 T CB -0.220 68.697 68.868 0.081 0.000 0.866 289 T HN 0.267 nan 8.240 nan 0.000 0.427 290 E N 1.312 121.459 120.200 -0.088 0.000 2.209 290 E HA -0.098 4.248 4.350 -0.007 0.000 0.196 290 E C 1.789 178.232 176.600 -0.261 0.000 0.993 290 E CA 0.876 57.191 56.400 -0.141 0.000 0.819 290 E CB -0.122 29.502 29.700 -0.125 0.000 0.745 290 E HN 0.544 nan 8.360 nan 0.000 0.477 291 N N -1.336 117.087 118.700 -0.462 0.000 2.407 291 N HA -0.016 4.720 4.740 -0.007 0.000 0.182 291 N C 0.288 175.423 175.510 -0.625 0.000 1.079 291 N CA 0.214 52.854 53.050 -0.684 0.000 0.882 291 N CB 0.417 38.145 38.487 -1.265 0.000 1.106 291 N HN 0.135 nan 8.380 nan 0.000 0.461 292 Y N 0.904 121.165 120.300 -0.064 0.000 2.720 292 Y HA 0.348 4.894 4.550 -0.007 0.000 0.268 292 Y C 1.539 177.479 175.900 0.067 0.000 1.142 292 Y CA -0.249 57.871 58.100 0.034 0.000 1.193 292 Y CB 0.066 38.566 38.460 0.066 0.000 1.176 292 Y HN -0.053 nan 8.280 nan 0.000 0.542 293 L N -0.097 121.209 121.223 0.137 0.000 2.044 293 L HA -0.213 4.123 4.340 -0.007 0.000 0.205 293 L C 2.592 179.544 176.870 0.136 0.000 1.075 293 L CA 1.558 56.471 54.840 0.122 0.000 0.747 293 L CB -0.006 42.094 42.059 0.068 0.000 0.903 293 L HN 0.392 nan 8.230 nan 0.000 0.435 294 Q N -0.359 119.528 119.800 0.145 0.000 2.170 294 Q HA -0.268 4.068 4.340 -0.007 0.000 0.203 294 Q C 2.189 178.334 176.000 0.242 0.000 0.976 294 Q CA 1.544 57.434 55.803 0.145 0.000 0.858 294 Q CB -0.017 28.788 28.738 0.111 0.000 0.907 294 Q HN 0.447 nan 8.270 nan 0.000 0.433 295 L N 0.560 122.000 121.223 0.362 0.000 1.943 295 L HA -0.216 4.120 4.340 -0.007 0.000 0.215 295 L C 2.157 179.163 176.870 0.227 0.000 1.074 295 L CA 1.747 56.819 54.840 0.386 0.000 0.759 295 L CB -0.664 41.558 42.059 0.271 0.000 0.888 295 L HN 0.305 nan 8.230 nan 0.000 0.433 296 L N -0.494 120.833 121.223 0.173 0.000 2.137 296 L HA -0.299 4.037 4.340 -0.007 0.000 0.213 296 L C 2.487 179.418 176.870 0.102 0.000 1.085 296 L CA 1.736 56.649 54.840 0.122 0.000 0.760 296 L CB -0.725 41.406 42.059 0.120 0.000 0.893 296 L HN 0.519 nan 8.230 nan 0.000 0.434 297 E N 1.025 121.288 120.200 0.105 0.000 1.998 297 E HA -0.255 4.091 4.350 -0.007 0.000 0.196 297 E C 2.206 178.843 176.600 0.061 0.000 1.003 297 E CA 1.581 58.024 56.400 0.071 0.000 0.829 297 E CB -0.045 29.691 29.700 0.059 0.000 0.777 297 E HN 0.469 nan 8.360 nan 0.000 0.460 298 R N 0.335 120.878 120.500 0.071 0.000 2.249 298 R HA -0.024 4.312 4.340 -0.007 0.000 0.230 298 R C 2.224 178.567 176.300 0.072 0.000 1.121 298 R CA 1.302 57.436 56.100 0.058 0.000 0.997 298 R CB -0.238 30.092 30.300 0.049 0.000 0.867 298 R HN -0.003 nan 8.270 nan 0.000 0.465 299 S N 1.757 117.511 115.700 0.090 0.000 2.368 299 S HA 0.003 4.469 4.470 -0.007 0.000 0.224 299 S C 1.569 176.196 174.600 0.046 0.000 1.029 299 S CA 0.863 59.109 58.200 0.077 0.000 0.988 299 S CB -0.188 63.061 63.200 0.081 0.000 0.838 299 S HN 0.232 nan 8.310 nan 0.000 0.462 300 L N 2.034 123.275 121.223 0.031 0.000 2.879 300 L HA -0.067 4.269 4.340 -0.007 0.000 0.254 300 L C 1.025 177.889 176.870 -0.010 0.000 1.157 300 L CA 0.194 55.034 54.840 0.000 0.000 0.886 300 L CB -0.739 41.313 42.059 -0.012 0.000 1.076 300 L HN 0.247 nan 8.230 nan 0.000 0.446 301 N N -1.557 117.146 118.700 0.005 0.000 2.482 301 N HA 0.035 4.771 4.740 -0.007 0.000 0.179 301 N C 0.203 175.713 175.510 -0.001 0.000 1.039 301 N CA 0.249 53.299 53.050 -0.001 0.000 0.884 301 N CB 0.336 38.828 38.487 0.008 0.000 1.113 301 N HN -0.036 nan 8.380 nan 0.000 0.440 302 V N 2.290 122.211 119.914 0.012 0.000 2.406 302 V HA 0.096 4.212 4.120 -0.007 0.000 0.272 302 V C 1.525 177.626 176.094 0.012 0.000 1.043 302 V CA -0.481 61.827 62.300 0.013 0.000 0.915 302 V CB 1.336 33.174 31.823 0.025 0.000 0.988 302 V HN 0.283 nan 8.190 nan 0.000 0.466 303 E N 3.555 123.755 120.200 0.001 0.000 2.147 303 E HA -0.287 4.059 4.350 -0.007 0.000 0.199 303 E C 1.221 177.839 176.600 0.030 0.000 1.005 303 E CA 2.100 58.497 56.400 -0.005 0.000 0.810 303 E CB 0.052 29.744 29.700 -0.013 0.000 0.736 303 E HN 0.812 nan 8.360 nan 0.000 0.460 304 D N 0.133 120.559 120.400 0.043 0.000 2.357 304 D HA -0.134 4.502 4.640 -0.007 0.000 0.216 304 D C 1.302 177.682 176.300 0.133 0.000 0.973 304 D CA 1.571 55.615 54.000 0.074 0.000 0.912 304 D CB 0.380 41.201 40.800 0.036 0.000 0.900 304 D HN 0.359 nan 8.370 nan 0.000 0.501 305 V N -3.027 116.958 119.914 0.118 0.000 3.157 305 V HA 0.187 4.303 4.120 -0.007 0.000 0.361 305 V C 1.289 177.452 176.094 0.114 0.000 1.421 305 V CA -0.499 61.900 62.300 0.165 0.000 1.213 305 V CB 0.420 32.283 31.823 0.068 0.000 1.164 305 V HN -0.148 nan 8.190 nan 0.000 0.559 306 Q N 0.308 120.138 119.800 0.049 0.000 2.089 306 Q HA 0.016 4.352 4.340 -0.007 0.000 0.195 306 Q C 2.029 177.982 176.000 -0.078 0.000 0.963 306 Q CA 1.726 57.511 55.803 -0.030 0.000 0.834 306 Q CB 0.197 28.886 28.738 -0.082 0.000 0.906 306 Q HN 0.646 nan 8.270 nan 0.000 0.452 307 I N 0.407 120.899 120.570 -0.130 0.000 2.142 307 I HA -0.263 3.903 4.170 -0.007 0.000 0.240 307 I C 2.050 178.072 176.117 -0.157 0.000 1.078 307 I CA 1.506 62.678 61.300 -0.212 0.000 1.343 307 I CB -1.630 36.158 38.000 -0.353 0.000 1.046 307 I HN 0.247 nan 8.210 nan 0.000 0.405 308 Y N 0.785 121.077 120.300 -0.014 0.000 2.315 308 Y HA -0.180 4.366 4.550 -0.007 0.000 0.288 308 Y C 3.034 178.921 175.900 -0.021 0.000 1.154 308 Y CA 1.601 59.684 58.100 -0.028 0.000 1.229 308 Y CB -0.758 37.664 38.460 -0.062 0.000 0.980 308 Y HN 0.126 nan 8.280 nan 0.000 0.540 309 S N -0.518 115.252 115.700 0.117 0.000 2.356 309 S HA -0.067 4.399 4.470 -0.007 0.000 0.219 309 S C 2.360 177.004 174.600 0.074 0.000 1.036 309 S CA 0.795 59.042 58.200 0.079 0.000 0.965 309 S CB -0.661 62.575 63.200 0.061 0.000 0.864 309 S HN 0.414 nan 8.310 nan 0.000 0.471 310 A N 2.303 125.158 122.820 0.057 0.000 1.852 310 A HA -0.147 4.169 4.320 -0.007 0.000 0.217 310 A C 2.137 179.830 177.584 0.182 0.000 1.215 310 A CA 2.057 54.161 52.037 0.113 0.000 0.641 310 A CB -1.490 17.544 19.000 0.057 0.000 0.838 310 A HN 0.608 nan 8.150 nan 0.000 0.450 311 L N -0.092 121.255 121.223 0.207 0.000 2.123 311 L HA -0.232 4.104 4.340 -0.007 0.000 0.217 311 L C 2.344 179.224 176.870 0.015 0.000 1.081 311 L CA 2.446 57.307 54.840 0.035 0.000 0.772 311 L CB -0.552 41.495 42.059 -0.020 0.000 0.890 311 L HN 0.206 nan 8.230 nan 0.000 0.437 312 V N -0.793 119.156 119.914 0.058 0.000 2.307 312 V HA -0.287 3.829 4.120 -0.007 0.000 0.245 312 V C 2.515 178.684 176.094 0.125 0.000 1.045 312 V CA 1.917 64.261 62.300 0.072 0.000 1.024 312 V CB -0.534 31.327 31.823 0.064 0.000 0.651 312 V HN 0.456 nan 8.190 nan 0.000 0.449 313 L N -0.314 120.990 121.223 0.136 0.000 2.127 313 L HA -0.180 4.156 4.340 -0.007 0.000 0.211 313 L C 2.352 179.388 176.870 0.277 0.000 1.089 313 L CA 1.156 56.110 54.840 0.191 0.000 0.757 313 L CB -0.534 41.626 42.059 0.168 0.000 0.899 313 L HN 0.237 nan 8.230 nan 0.000 0.434 314 V N -0.652 119.362 119.914 0.166 0.000 2.256 314 V HA -0.212 3.904 4.120 -0.007 0.000 0.240 314 V C 2.172 178.499 176.094 0.390 0.000 1.036 314 V CA 1.413 63.812 62.300 0.166 0.000 1.008 314 V CB -0.519 31.220 31.823 -0.141 0.000 0.648 314 V HN 0.350 nan 8.190 nan 0.000 0.453 315 K N 0.566 121.088 120.400 0.203 0.000 2.589 315 K HA -0.138 4.178 4.320 -0.007 0.000 0.195 315 K C 1.768 178.610 176.600 0.404 0.000 1.040 315 K CA 1.725 58.241 56.287 0.381 0.000 0.950 315 K CB -0.299 32.296 32.500 0.158 0.000 0.781 315 K HN 0.776 nan 8.250 nan 0.000 0.486 316 T N -5.356 109.425 114.554 0.379 0.000 2.958 316 T HA -0.035 4.311 4.350 -0.007 0.000 0.256 316 T C 0.671 175.637 174.700 0.443 0.000 0.983 316 T CA -0.510 61.792 62.100 0.338 0.000 0.924 316 T CB -0.051 68.964 68.868 0.246 0.000 1.136 316 T HN 0.431 nan 8.240 nan 0.000 0.506 317 W N 1.445 122.893 121.300 0.246 0.000 3.382 317 W HA -0.295 4.361 4.660 -0.007 0.000 0.323 317 W C 0.078 176.541 176.519 -0.093 0.000 1.237 317 W CA 0.578 57.996 57.345 0.123 0.000 0.652 317 W CB -1.941 27.536 29.460 0.027 0.000 2.310 317 W HN 0.405 nan 8.180 nan 0.000 1.304 318 S N 0.523 116.283 115.700 0.100 0.000 2.562 318 S HA -0.098 4.368 4.470 -0.007 0.000 0.221 318 S C 1.121 175.690 174.600 -0.052 0.000 0.975 318 S CA 1.023 59.239 58.200 0.026 0.000 0.918 318 S CB -0.572 62.692 63.200 0.106 0.000 0.772 318 S HN 0.430 nan 8.310 nan 0.000 0.531 319 F N 2.594 122.468 119.950 -0.128 0.000 2.333 319 F HA -0.057 4.466 4.527 -0.007 0.000 0.300 319 F C 2.077 177.783 175.800 -0.157 0.000 1.083 319 F CA 1.077 58.985 58.000 -0.153 0.000 1.395 319 F CB -1.763 37.104 39.000 -0.220 0.000 1.056 319 F HN 0.142 nan 8.300 nan 0.000 0.529 320 T N -3.371 110.710 114.554 -0.789 0.000 3.227 320 T HA 0.064 4.410 4.350 -0.007 0.000 0.257 320 T C 1.393 175.982 174.700 -0.186 0.000 1.162 320 T CA 0.331 62.116 62.100 -0.525 0.000 1.051 320 T CB -0.173 68.357 68.868 -0.563 0.000 0.953 320 T HN 0.271 nan 8.240 nan 0.000 0.535 321 K N 0.662 120.994 120.400 -0.113 0.000 2.273 321 K HA 0.364 4.680 4.320 -0.007 0.000 0.206 321 K C 0.907 177.500 176.600 -0.012 0.000 1.072 321 K CA -0.017 56.245 56.287 -0.042 0.000 0.953 321 K CB -0.291 32.197 32.500 -0.020 0.000 1.043 321 K HN 0.370 nan 8.250 nan 0.000 0.477 322 L N 2.793 124.019 121.223 0.006 0.000 2.578 322 L HA -0.030 4.306 4.340 -0.007 0.000 0.279 322 L C 0.792 177.671 176.870 0.015 0.000 1.227 322 L CA 0.254 55.104 54.840 0.018 0.000 0.900 322 L CB -0.021 42.058 42.059 0.034 0.000 1.144 322 L HN 0.187 nan 8.230 nan 0.000 0.496 323 T N 0.009 114.569 114.554 0.009 0.000 3.194 323 T HA -0.003 4.343 4.350 -0.007 0.000 0.251 323 T C 1.271 175.974 174.700 0.004 0.000 1.132 323 T CA 0.251 62.354 62.100 0.005 0.000 1.028 323 T CB -0.337 68.532 68.868 0.001 0.000 0.976 323 T HN 0.908 nan 8.240 nan 0.000 0.535 324 C N -0.159 119.145 119.300 0.006 0.000 3.065 324 C HA 0.639 5.095 4.460 -0.007 0.000 0.285 324 C C 0.602 175.590 174.990 -0.004 0.000 1.257 324 C CA -1.068 57.950 59.018 0.000 0.000 1.691 324 C CB -0.859 26.881 27.740 0.001 0.000 2.089 324 C HN 0.412 nan 8.230 nan 0.000 0.630 325 I N 1.751 122.324 120.570 0.004 0.000 3.195 325 I HA 0.461 4.627 4.170 -0.007 0.000 0.313 325 I C -1.609 174.517 176.117 0.014 0.000 1.237 325 I CA -0.605 60.692 61.300 -0.004 0.000 0.963 325 I CB 1.993 39.984 38.000 -0.014 0.000 1.278 325 I HN 0.293 nan 8.210 nan 0.000 0.460 326 N N 2.752 121.452 118.700 0.001 0.000 2.329 326 N HA 0.367 5.103 4.740 -0.007 0.000 0.282 326 N C 0.090 175.595 175.510 -0.009 0.000 1.198 326 N CA -0.873 52.190 53.050 0.021 0.000 0.790 326 N CB 1.964 40.459 38.487 0.013 0.000 1.579 326 N HN 0.738 nan 8.380 nan 0.000 0.475 327 L N 0.241 121.473 121.223 0.015 0.000 2.123 327 L HA -0.311 4.025 4.340 -0.007 0.000 0.217 327 L C 1.876 178.701 176.870 -0.076 0.000 1.081 327 L CA 1.728 56.531 54.840 -0.061 0.000 0.772 327 L CB -0.303 41.765 42.059 0.015 0.000 0.890 327 L HN 0.574 nan 8.230 nan 0.000 0.437 328 K N -0.176 120.199 120.400 -0.042 0.000 1.985 328 K HA -0.181 4.135 4.320 -0.007 0.000 0.210 328 K C 1.907 178.462 176.600 -0.074 0.000 1.047 328 K CA 1.569 57.826 56.287 -0.049 0.000 0.932 328 K CB -0.749 31.732 32.500 -0.033 0.000 0.716 328 K HN 0.494 nan 8.250 nan 0.000 0.439 329 Q N 1.018 120.774 119.800 -0.073 0.000 1.993 329 Q HA -0.061 4.275 4.340 -0.007 0.000 0.202 329 Q C 2.074 177.996 176.000 -0.131 0.000 0.984 329 Q CA 0.910 56.656 55.803 -0.095 0.000 0.837 329 Q CB -0.400 28.291 28.738 -0.078 0.000 0.902 329 Q HN 0.168 nan 8.270 nan 0.000 0.423 330 L N 1.457 122.604 121.223 -0.128 0.000 2.123 330 L HA -0.272 4.064 4.340 -0.007 0.000 0.217 330 L C 2.134 178.917 176.870 -0.145 0.000 1.081 330 L CA 2.677 57.420 54.840 -0.161 0.000 0.772 330 L CB -0.852 41.094 42.059 -0.189 0.000 0.890 330 L HN 0.374 nan 8.230 nan 0.000 0.437 331 S N -1.801 113.844 115.700 -0.091 0.000 2.470 331 S HA -0.106 4.360 4.470 -0.007 0.000 0.222 331 S C 1.687 176.246 174.600 -0.069 0.000 1.024 331 S CA 0.469 58.684 58.200 0.026 0.000 0.931 331 S CB -0.041 63.146 63.200 -0.022 0.000 0.791 331 S HN 0.429 nan 8.310 nan 0.000 0.513 332 E N 2.365 122.478 120.200 -0.145 0.000 2.171 332 E HA -0.107 4.239 4.350 -0.007 0.000 0.197 332 E C 1.597 178.057 176.600 -0.233 0.000 0.997 332 E CA 1.468 57.758 56.400 -0.183 0.000 0.810 332 E CB -0.853 28.755 29.700 -0.154 0.000 0.738 332 E HN 0.714 nan 8.360 nan 0.000 0.467 333 I N -0.420 119.957 120.570 -0.321 0.000 2.208 333 I HA -0.276 3.890 4.170 -0.007 0.000 0.245 333 I C 1.729 177.566 176.117 -0.467 0.000 1.097 333 I CA 1.217 62.238 61.300 -0.465 0.000 1.363 333 I CB -0.345 37.215 38.000 -0.734 0.000 1.051 333 I HN 0.087 nan 8.210 nan 0.000 0.413 334 F N 0.367 120.223 119.950 -0.157 0.000 2.335 334 F HA 0.016 4.539 4.527 -0.007 0.000 0.296 334 F C 2.246 177.953 175.800 -0.155 0.000 1.091 334 F CA 0.843 58.764 58.000 -0.131 0.000 1.399 334 F CB -0.617 38.314 39.000 -0.114 0.000 1.067 334 F HN -0.079 nan 8.300 nan 0.000 0.520 335 I N -0.352 120.128 120.570 -0.151 0.000 2.286 335 I HA -0.244 3.922 4.170 -0.007 0.000 0.245 335 I C 2.509 178.379 176.117 -0.411 0.000 1.104 335 I CA 0.947 61.874 61.300 -0.621 0.000 1.397 335 I CB -0.601 36.919 38.000 -0.800 0.000 1.072 335 I HN 0.162 nan 8.210 nan 0.000 0.417 336 N N 1.834 120.381 118.700 -0.255 0.000 2.007 336 N HA -0.223 4.513 4.740 -0.007 0.000 0.197 336 N C 1.956 177.413 175.510 -0.090 0.000 1.050 336 N CA 2.306 55.256 53.050 -0.166 0.000 0.856 336 N CB -0.098 38.291 38.487 -0.164 0.000 1.050 336 N HN 0.356 nan 8.380 nan 0.000 0.423 337 A N 1.369 124.143 122.820 -0.077 0.000 1.902 337 A HA -0.039 4.277 4.320 -0.007 0.000 0.217 337 A C 2.241 179.848 177.584 0.038 0.000 1.181 337 A CA 0.967 52.987 52.037 -0.028 0.000 0.623 337 A CB -0.670 18.305 19.000 -0.043 0.000 0.818 337 A HN 0.441 nan 8.150 nan 0.000 0.443 338 I N 0.683 121.316 120.570 0.105 0.000 3.334 338 I HA -0.072 4.094 4.170 -0.007 0.000 0.282 338 I C 0.387 176.643 176.117 0.232 0.000 1.313 338 I CA 0.283 61.702 61.300 0.198 0.000 1.396 338 I CB -0.294 37.912 38.000 0.344 0.000 1.054 338 I HN 0.052 nan 8.210 nan 0.000 0.495 339 S N 2.098 117.900 115.700 0.170 0.000 4.069 339 S HA 0.135 4.601 4.470 -0.007 0.000 0.192 339 S C 1.144 175.792 174.600 0.079 0.000 1.441 339 S CA -0.209 58.086 58.200 0.158 0.000 0.994 339 S CB -0.547 62.719 63.200 0.109 0.000 1.456 339 S HN 0.437 nan 8.310 nan 0.000 0.458 340 R N 0.507 121.046 120.500 0.065 0.000 3.953 340 R HA -0.251 4.085 4.340 -0.007 0.000 0.340 340 R C 0.320 176.634 176.300 0.023 0.000 1.195 340 R CA 1.157 57.276 56.100 0.032 0.000 0.929 340 R CB -1.054 29.259 30.300 0.021 0.000 1.402 340 R HN 0.505 nan 8.270 nan 0.000 0.540 341 R N 0.109 120.625 120.500 0.026 0.000 1.734 341 R HA 0.331 4.667 4.340 -0.007 0.000 0.117 341 R C 0.887 177.192 176.300 0.007 0.000 1.243 341 R CA -0.276 55.831 56.100 0.012 0.000 1.776 341 R CB -0.130 30.172 30.300 0.004 0.000 1.324 341 R HN 0.093 nan 8.270 nan 0.000 0.640 342 I N 3.570 124.139 120.570 -0.002 0.000 3.795 342 I HA -0.229 3.937 4.170 -0.007 0.000 0.321 342 I C 1.357 177.472 176.117 -0.003 0.000 1.152 342 I CA -0.025 61.271 61.300 -0.007 0.000 2.193 342 I CB -0.659 37.329 38.000 -0.021 0.000 1.748 342 I HN 0.359 nan 8.210 nan 0.000 1.062 343 V N 5.720 125.635 119.914 0.001 0.000 2.363 343 V HA -0.243 3.873 4.120 -0.007 0.000 0.254 343 V C -0.039 176.053 176.094 -0.003 0.000 1.074 343 V CA 2.014 64.316 62.300 0.003 0.000 1.069 343 V CB -1.664 30.161 31.823 0.004 0.000 0.659 343 V HN 0.652 nan 8.190 nan 0.000 0.455 344 P HA -0.109 nan 4.420 nan 0.000 0.220 344 P C 1.524 178.799 177.300 -0.041 0.000 1.148 344 P CA 1.310 64.401 63.100 -0.014 0.000 0.803 344 P CB -0.045 31.654 31.700 -0.001 0.000 0.782 345 K N -1.094 119.281 120.400 -0.041 0.000 2.262 345 K HA 0.034 4.350 4.320 -0.007 0.000 0.200 345 K C 1.840 178.442 176.600 0.002 0.000 1.049 345 K CA 0.439 56.697 56.287 -0.047 0.000 0.979 345 K CB -0.543 31.928 32.500 -0.047 0.000 0.773 345 K HN -0.063 nan 8.250 nan 0.000 0.474 346 V N 2.321 122.244 119.914 0.015 0.000 2.313 346 V HA -0.340 3.776 4.120 -0.007 0.000 0.253 346 V C 2.324 178.439 176.094 0.035 0.000 1.070 346 V CA 2.081 64.403 62.300 0.037 0.000 1.057 346 V CB -0.433 31.407 31.823 0.029 0.000 0.653 346 V HN 0.420 nan 8.190 nan 0.000 0.450 347 E N 0.027 120.235 120.200 0.013 0.000 2.021 347 E HA -0.197 4.149 4.350 -0.007 0.000 0.189 347 E C 2.313 178.914 176.600 0.001 0.000 0.980 347 E CA 1.535 57.946 56.400 0.017 0.000 0.803 347 E CB -0.161 29.532 29.700 -0.012 0.000 0.766 347 E HN 0.733 nan 8.360 nan 0.000 0.449 348 M N -0.375 119.202 119.600 -0.037 0.000 2.358 348 M HA -0.009 4.467 4.480 -0.007 0.000 0.264 348 M C 1.866 178.106 176.300 -0.100 0.000 1.064 348 M CA 1.351 56.607 55.300 -0.073 0.000 1.093 348 M CB 0.038 32.576 32.600 -0.103 0.000 1.401 348 M HN -0.150 nan 8.290 nan 0.000 0.440 349 S N 0.807 116.508 115.700 0.001 0.000 2.461 349 S HA 0.003 4.469 4.470 -0.007 0.000 0.228 349 S C 1.893 176.430 174.600 -0.105 0.000 1.005 349 S CA 0.848 59.080 58.200 0.054 0.000 0.942 349 S CB -0.188 63.186 63.200 0.290 0.000 0.776 349 S HN 0.410 nan 8.310 nan 0.000 0.514 350 V N 1.634 121.525 119.914 -0.037 0.000 2.255 350 V HA -0.133 3.983 4.120 -0.007 0.000 0.243 350 V C 2.420 178.465 176.094 -0.082 0.000 1.038 350 V CA 1.752 64.040 62.300 -0.020 0.000 1.008 350 V CB -0.564 31.275 31.823 0.027 0.000 0.645 350 V HN 0.485 nan 8.190 nan 0.000 0.449 351 E N 0.174 120.331 120.200 -0.072 0.000 2.114 351 E HA -0.309 4.037 4.350 -0.007 0.000 0.199 351 E C 2.151 178.553 176.600 -0.330 0.000 1.008 351 E CA 1.777 58.122 56.400 -0.092 0.000 0.810 351 E CB -0.233 29.424 29.700 -0.071 0.000 0.739 351 E HN 0.564 nan 8.360 nan 0.000 0.456 352 A N 0.520 123.028 122.820 -0.520 0.000 1.873 352 A HA -0.147 4.169 4.320 -0.007 0.000 0.215 352 A C 2.048 179.280 177.584 -0.587 0.000 1.186 352 A CA 1.109 52.641 52.037 -0.843 0.000 0.616 352 A CB -0.528 17.490 19.000 -1.636 0.000 0.823 352 A HN 0.328 nan 8.150 nan 0.000 0.442 353 L N -0.511 120.458 121.223 -0.423 0.000 2.465 353 L HA 0.071 4.407 4.340 -0.007 0.000 0.224 353 L C 2.598 179.457 176.870 -0.018 0.000 1.145 353 L CA 1.234 55.977 54.840 -0.162 0.000 0.834 353 L CB -0.675 41.369 42.059 -0.026 0.000 0.944 353 L HN 0.393 nan 8.230 nan 0.000 0.451 354 A N -2.092 120.734 122.820 0.011 0.000 2.066 354 A HA -0.128 4.188 4.320 -0.007 0.000 0.218 354 A C 1.951 179.688 177.584 0.255 0.000 1.157 354 A CA 0.953 53.053 52.037 0.106 0.000 0.670 354 A CB -0.432 18.642 19.000 0.123 0.000 0.804 354 A HN 0.462 nan 8.150 nan 0.000 0.453 355 Y N -0.676 119.628 120.300 0.007 0.000 2.226 355 Y HA 0.031 4.577 4.550 -0.007 0.000 0.275 355 Y C 2.172 178.146 175.900 0.124 0.000 1.087 355 Y CA 0.315 58.474 58.100 0.098 0.000 1.086 355 Y CB -0.419 38.136 38.460 0.157 0.000 1.026 355 Y HN 0.054 nan 8.280 nan 0.000 0.484 356 L N 0.472 121.846 121.223 0.252 0.000 2.198 356 L HA -0.305 4.031 4.340 -0.007 0.000 0.218 356 L C 1.810 178.752 176.870 0.119 0.000 1.084 356 L CA 1.608 56.516 54.840 0.114 0.000 0.779 356 L CB -0.818 41.196 42.059 -0.075 0.000 0.890 356 L HN 0.280 nan 8.230 nan 0.000 0.439 357 S N -1.261 114.499 115.700 0.101 0.000 3.033 357 S HA 0.127 4.593 4.470 -0.007 0.000 0.258 357 S C 0.864 175.511 174.600 0.078 0.000 1.207 357 S CA -0.107 58.133 58.200 0.068 0.000 1.248 357 S CB 0.210 63.435 63.200 0.043 0.000 0.932 357 S HN 0.280 nan 8.310 nan 0.000 0.472 358 L N 0.057 121.356 121.223 0.128 0.000 2.806 358 L HA 0.489 4.825 4.340 -0.007 0.000 0.242 358 L C 1.658 178.609 176.870 0.134 0.000 1.068 358 L CA 0.714 55.623 54.840 0.115 0.000 0.923 358 L CB 0.141 42.276 42.059 0.128 0.000 1.364 358 L HN 0.198 nan 8.230 nan 0.000 0.511 359 K N -0.046 120.471 120.400 0.194 0.000 2.551 359 K HA 0.273 4.589 4.320 -0.007 0.000 0.204 359 K C 1.304 177.975 176.600 0.119 0.000 1.033 359 K CA 0.544 56.949 56.287 0.197 0.000 1.187 359 K CB 0.025 32.710 32.500 0.308 0.000 0.900 359 K HN 0.270 nan 8.250 nan 0.000 0.499 360 A N -0.388 122.478 122.820 0.077 0.000 1.696 360 A HA -0.403 3.913 4.320 -0.007 0.000 0.226 360 A C 1.824 179.430 177.584 0.037 0.000 0.363 360 A CA 2.579 54.643 52.037 0.044 0.000 1.098 360 A CB -2.028 16.999 19.000 0.046 0.000 1.457 360 A HN 0.492 nan 8.150 nan 0.000 0.714 361 S N -0.586 115.146 115.700 0.053 0.000 2.381 361 S HA -0.243 4.223 4.470 -0.007 0.000 0.230 361 S C 1.785 176.398 174.600 0.022 0.000 1.052 361 S CA 2.124 60.347 58.200 0.040 0.000 1.068 361 S CB -0.837 62.395 63.200 0.054 0.000 0.918 361 S HN 0.971 nan 8.310 nan 0.000 0.448 362 V N 1.894 121.824 119.914 0.027 0.000 2.270 362 V HA -0.164 3.952 4.120 -0.007 0.000 0.245 362 V C 2.394 178.487 176.094 -0.002 0.000 1.043 362 V CA 1.636 63.943 62.300 0.011 0.000 1.014 362 V CB -0.642 31.195 31.823 0.023 0.000 0.645 362 V HN 0.397 nan 8.190 nan 0.000 0.447 363 K N -0.130 120.267 120.400 -0.005 0.000 2.034 363 K HA -0.238 4.078 4.320 -0.007 0.000 0.214 363 K C 2.024 178.581 176.600 -0.072 0.000 1.051 363 K CA 2.198 58.455 56.287 -0.051 0.000 0.931 363 K CB -0.465 32.009 32.500 -0.043 0.000 0.715 363 K HN 0.385 nan 8.250 nan 0.000 0.446 364 I N 0.793 121.342 120.570 -0.035 0.000 2.099 364 I HA -0.368 3.798 4.170 -0.007 0.000 0.239 364 I C 2.701 178.808 176.117 -0.017 0.000 1.066 364 I CA 1.362 62.647 61.300 -0.025 0.000 1.324 364 I CB -0.288 37.711 38.000 -0.001 0.000 1.037 364 I HN 0.302 nan 8.210 nan 0.000 0.401 365 M N 0.757 120.352 119.600 -0.009 0.000 2.113 365 M HA -0.315 4.161 4.480 -0.007 0.000 0.255 365 M C 2.338 178.643 176.300 0.009 0.000 1.073 365 M CA 2.248 57.545 55.300 -0.005 0.000 1.091 365 M CB -0.250 32.341 32.600 -0.016 0.000 1.309 365 M HN 0.179 nan 8.290 nan 0.000 0.407 366 I N -0.822 119.754 120.570 0.011 0.000 2.315 366 I HA -0.274 3.892 4.170 -0.007 0.000 0.248 366 I C 2.161 178.307 176.117 0.048 0.000 1.117 366 I CA 1.163 62.504 61.300 0.069 0.000 1.404 366 I CB -0.462 37.585 38.000 0.078 0.000 1.071 366 I HN 0.319 nan 8.210 nan 0.000 0.419 367 R N 0.034 120.504 120.500 -0.051 0.000 2.307 367 R HA 0.008 4.344 4.340 -0.007 0.000 0.199 367 R C 2.199 178.598 176.300 0.166 0.000 1.000 367 R CA 0.554 56.658 56.100 0.008 0.000 1.023 367 R CB 0.017 30.206 30.300 -0.185 0.000 0.908 367 R HN 0.290 nan 8.270 nan 0.000 0.473 368 S N 0.948 116.710 115.700 0.103 0.000 2.355 368 S HA -0.068 4.398 4.470 -0.007 0.000 0.216 368 S C 0.935 175.605 174.600 0.117 0.000 1.037 368 S CA 0.109 58.372 58.200 0.104 0.000 0.955 368 S CB -0.197 63.038 63.200 0.059 0.000 0.877 368 S HN 0.271 nan 8.310 nan 0.000 0.488 369 N N 3.027 121.788 118.700 0.102 0.000 2.416 369 N HA -0.044 4.692 4.740 -0.007 0.000 0.291 369 N C 0.652 176.244 175.510 0.137 0.000 1.257 369 N CA 0.187 53.302 53.050 0.109 0.000 1.043 369 N CB -0.159 38.390 38.487 0.103 0.000 1.441 369 N HN 0.390 nan 8.380 nan 0.000 0.490 370 E N 1.042 121.324 120.200 0.137 0.000 2.153 370 E HA -0.145 4.201 4.350 -0.007 0.000 0.194 370 E C 1.155 177.799 176.600 0.073 0.000 0.988 370 E CA 1.063 57.555 56.400 0.153 0.000 0.811 370 E CB 0.119 29.950 29.700 0.218 0.000 0.746 370 E HN 0.592 nan 8.360 nan 0.000 0.466 371 S N 0.831 116.585 115.700 0.090 0.000 2.355 371 S HA -0.141 4.325 4.470 -0.007 0.000 0.222 371 S C 1.622 176.272 174.600 0.083 0.000 1.031 371 S CA 0.816 59.061 58.200 0.075 0.000 0.993 371 S CB -0.371 62.878 63.200 0.081 0.000 0.859 371 S HN 0.259 nan 8.310 nan 0.000 0.453 372 F N 2.851 122.778 119.950 -0.039 0.000 2.126 372 F HA -0.179 4.344 4.527 -0.007 0.000 0.299 372 F C 2.429 178.179 175.800 -0.083 0.000 1.096 372 F CA 1.631 59.603 58.000 -0.046 0.000 1.255 372 F CB -1.238 37.742 39.000 -0.033 0.000 0.997 372 F HN 0.124 nan 8.300 nan 0.000 0.479 373 T N 0.464 114.920 114.554 -0.162 0.000 2.759 373 T HA -0.193 4.153 4.350 -0.007 0.000 0.269 373 T C 1.799 176.251 174.700 -0.413 0.000 1.042 373 T CA 1.663 63.529 62.100 -0.390 0.000 1.140 373 T CB -0.274 68.227 68.868 -0.613 0.000 0.864 373 T HN 0.339 nan 8.240 nan 0.000 0.455 374 E N 0.852 120.889 120.200 -0.271 0.000 2.072 374 E HA -0.045 4.301 4.350 -0.007 0.000 0.191 374 E C 2.328 178.835 176.600 -0.156 0.000 0.985 374 E CA 0.876 57.181 56.400 -0.159 0.000 0.801 374 E CB -0.346 29.326 29.700 -0.047 0.000 0.750 374 E HN 0.537 nan 8.360 nan 0.000 0.452 375 I N 0.813 121.287 120.570 -0.160 0.000 2.208 375 I HA -0.281 3.885 4.170 -0.007 0.000 0.245 375 I C 2.344 178.331 176.117 -0.217 0.000 1.097 375 I CA 0.707 61.918 61.300 -0.148 0.000 1.363 375 I CB -0.324 37.617 38.000 -0.100 0.000 1.051 375 I HN 0.057 nan 8.210 nan 0.000 0.413 376 L N 0.419 121.424 121.223 -0.364 0.000 1.976 376 L HA -0.196 4.140 4.340 -0.007 0.000 0.209 376 L C 2.457 179.206 176.870 -0.201 0.000 1.071 376 L CA 1.815 56.449 54.840 -0.343 0.000 0.746 376 L CB -0.951 40.823 42.059 -0.474 0.000 0.890 376 L HN 0.172 nan 8.230 nan 0.000 0.432 377 L N -0.901 120.204 121.223 -0.196 0.000 2.043 377 L HA -0.309 4.027 4.340 -0.007 0.000 0.212 377 L C 2.538 179.338 176.870 -0.117 0.000 1.075 377 L CA 2.089 56.851 54.840 -0.130 0.000 0.752 377 L CB -0.943 41.044 42.059 -0.121 0.000 0.891 377 L HN 0.542 nan 8.230 nan 0.000 0.432 378 T N -3.576 110.905 114.554 -0.122 0.000 2.812 378 T HA -0.190 4.156 4.350 -0.007 0.000 0.264 378 T C 1.803 176.444 174.700 -0.099 0.000 1.042 378 T CA 0.850 62.882 62.100 -0.114 0.000 1.140 378 T CB -0.324 68.489 68.868 -0.091 0.000 0.870 378 T HN 0.182 nan 8.240 nan 0.000 0.445 379 M N 0.421 119.966 119.600 -0.092 0.000 2.346 379 M HA 0.026 4.502 4.480 -0.007 0.000 0.263 379 M C 2.017 178.297 176.300 -0.034 0.000 1.064 379 M CA 1.442 56.703 55.300 -0.064 0.000 1.083 379 M CB -0.584 31.967 32.600 -0.081 0.000 1.399 379 M HN 0.351 nan 8.290 nan 0.000 0.435 380 I N -0.869 119.684 120.570 -0.028 0.000 2.364 380 I HA -0.171 3.995 4.170 -0.007 0.000 0.241 380 I C 2.051 178.226 176.117 0.095 0.000 1.082 380 I CA 0.658 61.989 61.300 0.052 0.000 1.401 380 I CB -0.249 37.803 38.000 0.087 0.000 1.126 380 I HN 0.152 nan 8.210 nan 0.000 0.429 381 K N 0.909 121.259 120.400 -0.083 0.000 2.051 381 K HA -0.086 4.230 4.320 -0.007 0.000 0.206 381 K C 2.015 178.466 176.600 -0.248 0.000 0.966 381 K CA 1.414 57.398 56.287 -0.506 0.000 1.004 381 K CB -0.489 31.584 32.500 -0.711 0.000 1.081 381 K HN 0.045 nan 8.250 nan 0.000 0.574 382 S N 1.198 116.743 115.700 -0.259 0.000 2.422 382 S HA -0.328 4.138 4.470 -0.007 0.000 0.248 382 S C 1.947 176.514 174.600 -0.055 0.000 1.069 382 S CA 2.051 60.171 58.200 -0.132 0.000 1.214 382 S CB -0.647 62.485 63.200 -0.115 0.000 1.122 382 S HN 0.317 nan 8.310 nan 0.000 0.432 383 Q N 1.048 120.820 119.800 -0.048 0.000 2.191 383 Q HA -0.263 4.073 4.340 -0.007 0.000 0.219 383 Q C 0.933 176.938 176.000 0.009 0.000 1.044 383 Q CA 1.975 57.768 55.803 -0.017 0.000 0.933 383 Q CB -0.498 28.230 28.738 -0.016 0.000 1.049 383 Q HN 0.591 nan 8.270 nan 0.000 0.424 384 K N -0.754 119.664 120.400 0.029 0.000 3.278 384 K HA -0.231 4.085 4.320 -0.007 0.000 0.270 384 K C -0.987 175.638 176.600 0.041 0.000 0.955 384 K CA 0.714 57.029 56.287 0.048 0.000 0.723 384 K CB -1.328 31.199 32.500 0.044 0.000 1.382 384 K HN 0.354 nan 8.250 nan 0.000 0.461 385 M N 1.743 121.368 119.600 0.042 0.000 3.242 385 M HA -0.003 4.473 4.480 -0.007 0.000 0.250 385 M C 1.216 177.556 176.300 0.068 0.000 1.239 385 M CA -0.074 55.254 55.300 0.047 0.000 1.205 385 M CB 0.208 32.832 32.600 0.040 0.000 1.189 385 M HN 0.341 nan 8.290 nan 0.000 0.531 386 T N -0.359 114.232 114.554 0.063 0.000 1.766 386 T HA -0.384 3.962 4.350 -0.007 0.000 0.118 386 T C 1.478 176.233 174.700 0.091 0.000 1.833 386 T CA 2.470 64.611 62.100 0.069 0.000 0.817 386 T CB -0.876 68.037 68.868 0.075 0.000 0.767 386 T HN 0.604 nan 8.240 nan 0.000 0.408 387 H N 0.601 119.690 119.070 0.033 0.000 2.460 387 H HA -0.079 4.473 4.556 -0.007 0.000 0.297 387 H C 2.408 177.773 175.328 0.062 0.000 1.103 387 H CA 1.713 57.788 56.048 0.044 0.000 1.292 387 H CB -0.599 29.181 29.762 0.030 0.000 1.376 387 H HN 0.558 nan 8.280 nan 0.000 0.531 388 C N 0.318 119.728 119.300 0.182 0.000 2.472 388 C HA -0.060 4.396 4.460 -0.007 0.000 0.278 388 C C 2.767 177.793 174.990 0.060 0.000 1.447 388 C CA 0.116 59.209 59.018 0.125 0.000 1.773 388 C CB -1.224 26.566 27.740 0.082 0.000 1.793 388 C HN 0.449 nan 8.230 nan 0.000 0.544 389 L N 0.253 121.503 121.223 0.045 0.000 1.976 389 L HA -0.145 4.191 4.340 -0.007 0.000 0.209 389 L C 2.261 179.125 176.870 -0.009 0.000 1.071 389 L CA 2.085 56.936 54.840 0.019 0.000 0.746 389 L CB -1.258 40.813 42.059 0.020 0.000 0.890 389 L HN 0.454 nan 8.230 nan 0.000 0.432 390 Y N 0.319 120.564 120.300 -0.091 0.000 2.030 390 Y HA -0.298 4.248 4.550 -0.007 0.000 0.272 390 Y C 2.285 178.156 175.900 -0.048 0.000 1.185 390 Y CA 2.302 60.347 58.100 -0.092 0.000 1.120 390 Y CB -1.078 37.291 38.460 -0.153 0.000 0.955 390 Y HN 0.242 nan 8.280 nan 0.000 0.495 391 G N -0.104 108.644 108.800 -0.087 0.000 2.418 391 G HA2 -0.236 3.720 3.960 -0.007 0.000 0.217 391 G HA3 -0.236 3.720 3.960 -0.007 0.000 0.217 391 G C 1.750 176.571 174.900 -0.131 0.000 1.158 391 G CA 1.128 46.160 45.100 -0.112 0.000 0.771 391 G HN 0.474 nan 8.290 nan 0.000 0.545 392 L N -0.584 120.590 121.223 -0.083 0.000 2.083 392 L HA -0.025 4.311 4.340 -0.007 0.000 0.209 392 L C 2.697 179.510 176.870 -0.096 0.000 1.083 392 L CA 0.311 55.106 54.840 -0.075 0.000 0.752 392 L CB -0.255 41.774 42.059 -0.050 0.000 0.899 392 L HN 0.159 nan 8.230 nan 0.000 0.433 393 L N -1.285 119.854 121.223 -0.140 0.000 2.240 393 L HA -0.085 4.251 4.340 -0.007 0.000 0.211 393 L C 2.204 178.956 176.870 -0.197 0.000 1.106 393 L CA 1.152 55.903 54.840 -0.148 0.000 0.793 393 L CB -0.229 41.735 42.059 -0.158 0.000 0.927 393 L HN -0.065 nan 8.230 nan 0.000 0.446 394 V N -0.729 118.997 119.914 -0.313 0.000 2.453 394 V HA -0.218 3.898 4.120 -0.007 0.000 0.247 394 V C 2.283 178.303 176.094 -0.123 0.000 1.048 394 V CA 1.440 63.569 62.300 -0.284 0.000 1.049 394 V CB -0.145 31.434 31.823 -0.406 0.000 0.672 394 V HN 0.300 nan 8.190 nan 0.000 0.457 395 I N -0.656 119.860 120.570 -0.091 0.000 2.394 395 I HA -0.197 3.969 4.170 -0.007 0.000 0.251 395 I C 1.977 178.088 176.117 -0.010 0.000 1.136 395 I CA 1.187 62.466 61.300 -0.034 0.000 1.425 395 I CB -0.233 37.754 38.000 -0.022 0.000 1.079 395 I HN 0.265 nan 8.210 nan 0.000 0.425 396 M N 0.110 119.706 119.600 -0.006 0.000 2.639 396 M HA 0.088 4.564 4.480 -0.007 0.000 0.220 396 M C 1.479 177.821 176.300 0.069 0.000 1.155 396 M CA 0.405 55.745 55.300 0.067 0.000 1.003 396 M CB -0.569 32.058 32.600 0.045 0.000 1.725 396 M HN 0.251 nan 8.290 nan 0.000 0.489 397 A N -0.161 122.673 122.820 0.023 0.000 1.975 397 A HA 0.126 4.442 4.320 -0.007 0.000 0.197 397 A C 1.678 179.283 177.584 0.035 0.000 1.537 397 A CA 0.052 52.106 52.037 0.030 0.000 0.972 397 A CB 0.138 19.129 19.000 -0.016 0.000 1.019 397 A HN 0.345 nan 8.150 nan 0.000 0.488 398 N N 0.764 119.468 118.700 0.007 0.000 2.331 398 N HA -0.044 4.692 4.740 -0.007 0.000 0.180 398 N C 1.445 176.943 175.510 -0.021 0.000 1.019 398 N CA 0.734 53.786 53.050 0.004 0.000 0.881 398 N CB -0.191 38.297 38.487 0.002 0.000 0.972 398 N HN 0.264 nan 8.380 nan 0.000 0.435 399 L N 1.106 122.300 121.223 -0.048 0.000 2.072 399 L HA -0.026 4.310 4.340 -0.007 0.000 0.205 399 L C 1.770 178.553 176.870 -0.145 0.000 1.079 399 L CA 1.374 56.087 54.840 -0.212 0.000 0.752 399 L CB -1.189 40.676 42.059 -0.323 0.000 0.906 399 L HN 0.183 nan 8.230 nan 0.000 0.436 400 S N -2.525 113.237 115.700 0.104 0.000 2.671 400 S HA 0.022 4.488 4.470 -0.007 0.000 0.220 400 S C 0.806 175.486 174.600 0.133 0.000 0.951 400 S CA -0.242 58.087 58.200 0.215 0.000 0.932 400 S CB -0.581 62.779 63.200 0.265 0.000 0.777 400 S HN 0.224 nan 8.310 nan 0.000 0.508 401 T N 4.616 119.218 114.554 0.080 0.000 2.747 401 T HA 0.517 4.863 4.350 -0.007 0.000 0.301 401 T C -0.349 174.390 174.700 0.065 0.000 0.952 401 T CA -0.637 61.513 62.100 0.083 0.000 0.983 401 T CB 0.142 69.052 68.868 0.070 0.000 0.930 401 T HN 0.355 nan 8.240 nan 0.000 0.494 402 L N 3.402 124.668 121.223 0.072 0.000 2.322 402 L HA 0.742 5.078 4.340 -0.007 0.000 0.279 402 L C -2.536 174.365 176.870 0.052 0.000 1.036 402 L CA -2.745 52.128 54.840 0.055 0.000 0.807 402 L CB -0.869 41.222 42.059 0.052 0.000 1.226 402 L HN 0.192 nan 8.230 nan 0.000 0.433 403 P HA 0.132 nan 4.420 nan 0.000 0.265 403 P C -0.860 176.464 177.300 0.041 0.000 1.193 403 P CA -0.118 63.008 63.100 0.043 0.000 0.765 403 P CB 0.329 32.050 31.700 0.034 0.000 0.823 404 E N 1.936 122.167 120.200 0.051 0.000 2.266 404 E HA 0.414 4.760 4.350 -0.007 0.000 0.277 404 E C -0.242 176.382 176.600 0.039 0.000 1.018 404 E CA -0.788 55.643 56.400 0.051 0.000 0.840 404 E CB 1.072 30.819 29.700 0.077 0.000 1.082 404 E HN 0.273 nan 8.360 nan 0.000 0.395 431 G N -0.115 108.691 108.800 0.010 0.000 4.098 431 G HA2 0.537 4.493 3.960 -0.007 0.000 0.300 431 G HA3 0.537 4.493 3.960 -0.007 0.000 0.300 431 G C 0.931 175.838 174.900 0.012 0.000 1.187 431 G CA 0.938 46.045 45.100 0.011 0.000 0.964 431 G HN 0.656 nan 8.290 nan 0.000 0.559 432 A N 0.482 123.310 122.820 0.013 0.000 2.014 432 A HA 0.084 4.400 4.320 -0.007 0.000 0.218 432 A C 2.010 179.604 177.584 0.017 0.000 1.163 432 A CA 1.298 53.344 52.037 0.015 0.000 0.652 432 A CB -0.007 19.002 19.000 0.016 0.000 0.808 432 A HN 0.311 nan 8.150 nan 0.000 0.449 433 E N 0.344 120.554 120.200 0.016 0.000 2.333 433 E HA -0.096 4.250 4.350 -0.007 0.000 0.198 433 E C 1.662 178.272 176.600 0.017 0.000 1.007 433 E CA 0.716 57.127 56.400 0.017 0.000 0.845 433 E CB -0.061 29.648 29.700 0.016 0.000 0.766 433 E HN 0.378 nan 8.360 nan 0.000 0.507 434 K N -0.089 120.320 120.400 0.016 0.000 2.432 434 K HA 0.111 4.427 4.320 -0.007 0.000 0.196 434 K C 1.572 178.184 176.600 0.020 0.000 1.038 434 K CA 0.604 56.900 56.287 0.015 0.000 0.986 434 K CB 0.127 32.634 32.500 0.012 0.000 0.782 434 K HN 0.136 nan 8.250 nan 0.000 0.485 435 A N 1.580 124.413 122.820 0.021 0.000 1.822 435 A HA -0.057 4.259 4.320 -0.007 0.000 0.214 435 A C 2.358 179.960 177.584 0.030 0.000 1.245 435 A CA 1.858 53.909 52.037 0.025 0.000 0.608 435 A CB -1.010 18.003 19.000 0.023 0.000 0.896 435 A HN 0.244 nan 8.150 nan 0.000 0.457 436 A N -0.328 122.510 122.820 0.029 0.000 1.940 436 A HA -0.213 4.103 4.320 -0.007 0.000 0.219 436 A C 2.051 179.660 177.584 0.041 0.000 1.176 436 A CA 2.728 54.784 52.037 0.033 0.000 0.631 436 A CB -0.576 18.440 19.000 0.026 0.000 0.814 436 A HN 0.595 nan 8.150 nan 0.000 0.446 437 K N 0.381 120.803 120.400 0.035 0.000 2.034 437 K HA -0.255 4.061 4.320 -0.007 0.000 0.214 437 K C 1.971 178.603 176.600 0.053 0.000 1.051 437 K CA 2.363 58.672 56.287 0.037 0.000 0.931 437 K CB -0.440 32.074 32.500 0.022 0.000 0.715 437 K HN 0.606 nan 8.250 nan 0.000 0.446 438 E N -0.103 120.126 120.200 0.048 0.000 2.033 438 E HA -0.257 4.089 4.350 -0.007 0.000 0.199 438 E C 1.572 178.223 176.600 0.085 0.000 1.011 438 E CA 2.022 58.458 56.400 0.059 0.000 0.815 438 E CB -0.236 29.490 29.700 0.045 0.000 0.755 438 E HN 0.415 nan 8.360 nan 0.000 0.451 439 D N 0.552 120.999 120.400 0.078 0.000 2.133 439 D HA -0.220 4.416 4.640 -0.007 0.000 0.192 439 D C 2.033 178.419 176.300 0.144 0.000 1.001 439 D CA 1.349 55.408 54.000 0.098 0.000 0.844 439 D CB -0.421 40.422 40.800 0.072 0.000 0.944 439 D HN 0.339 nan 8.370 nan 0.000 0.447 440 I N -0.101 120.545 120.570 0.127 0.000 2.179 440 I HA -0.236 3.930 4.170 -0.007 0.000 0.242 440 I C 1.987 178.246 176.117 0.237 0.000 1.088 440 I CA 0.656 62.058 61.300 0.169 0.000 1.357 440 I CB -0.133 37.933 38.000 0.110 0.000 1.051 440 I HN -0.030 nan 8.210 nan 0.000 0.409 441 L N -0.265 121.088 121.223 0.216 0.000 2.362 441 L HA -0.156 4.180 4.340 -0.007 0.000 0.219 441 L C 2.092 179.118 176.870 0.259 0.000 1.134 441 L CA 1.067 56.110 54.840 0.339 0.000 0.807 441 L CB -0.546 41.689 42.059 0.293 0.000 0.927 441 L HN 0.202 nan 8.230 nan 0.000 0.447 442 L N -1.670 119.657 121.223 0.173 0.000 2.022 442 L HA -0.109 4.227 4.340 -0.007 0.000 0.204 442 L C 2.269 179.168 176.870 0.048 0.000 1.076 442 L CA 1.359 56.251 54.840 0.086 0.000 0.749 442 L CB -0.681 41.436 42.059 0.097 0.000 0.903 442 L HN 0.171 nan 8.230 nan 0.000 0.439 443 F N 0.986 120.950 119.950 0.023 0.000 2.032 443 F HA -0.412 4.111 4.527 -0.007 0.000 0.297 443 F C 2.355 178.168 175.800 0.022 0.000 1.125 443 F CA 2.388 60.441 58.000 0.089 0.000 1.202 443 F CB -0.739 38.347 39.000 0.144 0.000 0.958 443 F HN 0.265 nan 8.300 nan 0.000 0.491 444 N N 0.593 119.344 118.700 0.086 0.000 2.037 444 N HA -0.255 4.481 4.740 -0.007 0.000 0.196 444 N C 2.007 177.290 175.510 -0.378 0.000 1.034 444 N CA 1.718 54.698 53.050 -0.118 0.000 0.861 444 N CB -0.975 37.537 38.487 0.042 0.000 1.039 444 N HN 0.503 nan 8.380 nan 0.000 0.427 445 E N 1.263 121.159 120.200 -0.507 0.000 2.051 445 E HA -0.212 4.134 4.350 -0.007 0.000 0.192 445 E C 1.761 178.095 176.600 -0.443 0.000 0.991 445 E CA 1.242 57.269 56.400 -0.621 0.000 0.799 445 E CB -0.064 29.277 29.700 -0.598 0.000 0.748 445 E HN 0.177 nan 8.360 nan 0.000 0.449 446 K N 0.028 120.153 120.400 -0.459 0.000 1.971 446 K HA -0.193 4.123 4.320 -0.007 0.000 0.221 446 K C 2.137 178.346 176.600 -0.652 0.000 1.050 446 K CA 2.200 58.112 56.287 -0.625 0.000 0.967 446 K CB -0.884 31.071 32.500 -0.908 0.000 0.733 446 K HN 0.181 nan 8.250 nan 0.000 0.445 447 Y N -0.400 119.640 120.300 -0.434 0.000 2.517 447 Y HA 0.241 4.787 4.550 -0.007 0.000 0.281 447 Y C 1.896 177.583 175.900 -0.355 0.000 1.125 447 Y CA 0.338 58.183 58.100 -0.426 0.000 1.283 447 Y CB 0.024 38.122 38.460 -0.603 0.000 1.042 447 Y HN 0.052 nan 8.280 nan 0.000 0.547 448 I N -1.833 118.595 120.570 -0.238 0.000 2.685 448 I HA -0.113 4.053 4.170 -0.007 0.000 0.251 448 I C 1.624 177.661 176.117 -0.134 0.000 1.102 448 I CA 0.400 61.610 61.300 -0.151 0.000 1.442 448 I CB -0.040 37.880 38.000 -0.133 0.000 1.194 448 I HN 0.084 nan 8.210 nan 0.000 0.448 449 L N 0.670 121.770 121.223 -0.204 0.000 2.068 449 L HA -0.025 4.311 4.340 -0.007 0.000 0.204 449 L C 2.555 179.338 176.870 -0.147 0.000 1.076 449 L CA 1.713 56.442 54.840 -0.184 0.000 0.753 449 L CB -0.742 41.143 42.059 -0.289 0.000 0.910 449 L HN 0.048 nan 8.230 nan 0.000 0.439 450 R N -1.132 119.262 120.500 -0.177 0.000 2.062 450 R HA -0.095 4.241 4.340 -0.007 0.000 0.231 450 R C 1.703 177.946 176.300 -0.095 0.000 1.136 450 R CA 1.655 57.672 56.100 -0.138 0.000 0.948 450 R CB -0.378 29.820 30.300 -0.171 0.000 0.845 450 R HN 0.289 nan 8.270 nan 0.000 0.430 451 T N 1.646 116.145 114.554 -0.091 0.000 3.202 451 T HA -0.084 4.262 4.350 -0.007 0.000 0.267 451 T C 0.041 174.724 174.700 -0.028 0.000 1.183 451 T CA 0.538 62.606 62.100 -0.053 0.000 1.055 451 T CB -0.354 68.495 68.868 -0.033 0.000 0.898 451 T HN 0.351 nan 8.240 nan 0.000 0.555 452 E N -0.180 120.001 120.200 -0.032 0.000 2.257 452 E HA -0.230 4.116 4.350 -0.007 0.000 0.224 452 E C 0.996 177.634 176.600 0.063 0.000 1.286 452 E CA 0.085 56.486 56.400 0.002 0.000 0.716 452 E CB -1.178 28.525 29.700 0.005 0.000 1.159 452 E HN 0.378 nan 8.360 nan 0.000 0.367 453 L N -0.239 121.020 121.223 0.059 0.000 2.093 453 L HA -0.132 4.204 4.340 -0.007 0.000 0.208 453 L C 2.009 178.946 176.870 0.111 0.000 1.085 453 L CA 1.476 56.405 54.840 0.150 0.000 0.755 453 L CB -0.188 41.925 42.059 0.090 0.000 0.904 453 L HN 0.235 nan 8.230 nan 0.000 0.435 454 I N -0.858 119.732 120.570 0.032 0.000 2.179 454 I HA -0.254 3.912 4.170 -0.007 0.000 0.242 454 I C 2.700 178.817 176.117 -0.001 0.000 1.088 454 I CA 1.640 62.938 61.300 -0.005 0.000 1.357 454 I CB -1.466 36.528 38.000 -0.011 0.000 1.051 454 I HN 0.379 nan 8.210 nan 0.000 0.409 455 S N 0.747 116.467 115.700 0.033 0.000 2.370 455 S HA -0.231 4.235 4.470 -0.007 0.000 0.226 455 S C 2.108 176.761 174.600 0.088 0.000 1.033 455 S CA 1.371 59.599 58.200 0.046 0.000 1.011 455 S CB -0.490 62.739 63.200 0.049 0.000 0.852 455 S HN 0.389 nan 8.310 nan 0.000 0.457 456 F N 2.301 122.238 119.950 -0.022 0.000 2.075 456 F HA 0.009 4.532 4.527 -0.007 0.000 0.297 456 F C 1.781 177.570 175.800 -0.018 0.000 1.113 456 F CA 1.515 59.504 58.000 -0.019 0.000 1.218 456 F CB -1.010 37.974 39.000 -0.027 0.000 0.984 456 F HN 0.209 nan 8.300 nan 0.000 0.472 457 L N 0.704 121.601 121.223 -0.543 0.000 2.127 457 L HA -0.259 4.077 4.340 -0.007 0.000 0.211 457 L C 2.697 179.370 176.870 -0.328 0.000 1.089 457 L CA 1.791 56.264 54.840 -0.612 0.000 0.757 457 L CB -0.847 41.007 42.059 -0.342 0.000 0.899 457 L HN 0.229 nan 8.230 nan 0.000 0.434 458 K N 0.483 120.782 120.400 -0.168 0.000 2.074 458 K HA -0.231 4.085 4.320 -0.007 0.000 0.209 458 K C 2.226 178.786 176.600 -0.067 0.000 1.048 458 K CA 1.533 57.769 56.287 -0.084 0.000 0.926 458 K CB 0.038 32.523 32.500 -0.025 0.000 0.713 458 K HN 0.311 nan 8.250 nan 0.000 0.444 459 R N 0.163 120.624 120.500 -0.066 0.000 2.055 459 R HA -0.033 4.303 4.340 -0.007 0.000 0.228 459 R C 2.138 178.426 176.300 -0.020 0.000 1.143 459 R CA 1.134 57.234 56.100 -0.001 0.000 0.945 459 R CB -0.201 30.141 30.300 0.069 0.000 0.841 459 R HN 0.182 nan 8.270 nan 0.000 0.429 460 E N 0.825 120.925 120.200 -0.165 0.000 2.472 460 E HA -0.165 4.181 4.350 -0.007 0.000 0.200 460 E C 1.691 178.141 176.600 -0.251 0.000 1.046 460 E CA 0.498 56.777 56.400 -0.201 0.000 0.871 460 E CB -0.124 29.382 29.700 -0.324 0.000 0.806 460 E HN 0.164 nan 8.360 nan 0.000 0.533 461 M N 1.353 120.833 119.600 -0.200 0.000 2.113 461 M HA -0.291 4.185 4.480 -0.007 0.000 0.255 461 M C 2.180 178.400 176.300 -0.135 0.000 1.073 461 M CA 2.390 57.593 55.300 -0.162 0.000 1.091 461 M CB -0.826 31.712 32.600 -0.103 0.000 1.309 461 M HN 0.322 nan 8.290 nan 0.000 0.407 462 H N -1.372 117.664 119.070 -0.056 0.000 2.400 462 H HA -0.189 4.363 4.556 -0.007 0.000 0.295 462 H C 1.690 177.004 175.328 -0.022 0.000 1.118 462 H CA 2.454 58.485 56.048 -0.028 0.000 1.256 462 H CB -0.995 28.757 29.762 -0.017 0.000 1.365 462 H HN 0.684 nan 8.280 nan 0.000 0.502 463 N N -0.162 117.961 118.700 -0.963 0.000 2.409 463 N HA 0.037 4.773 4.740 -0.007 0.000 0.174 463 N C -0.015 175.335 175.510 -0.266 0.000 1.037 463 N CA 0.030 52.700 53.050 -0.634 0.000 0.898 463 N CB 0.054 38.120 38.487 -0.703 0.000 1.010 463 N HN 0.330 nan 8.380 nan 0.000 0.445 464 L N 1.823 122.905 121.223 -0.234 0.000 2.628 464 L HA -0.080 4.256 4.340 -0.007 0.000 0.292 464 L C 0.604 177.421 176.870 -0.090 0.000 1.250 464 L CA -0.218 54.535 54.840 -0.145 0.000 0.892 464 L CB -0.031 41.937 42.059 -0.152 0.000 1.138 464 L HN 0.308 nan 8.230 nan 0.000 0.502 465 S N 3.965 119.631 115.700 -0.058 0.000 2.568 465 S HA 0.118 4.584 4.470 -0.007 0.000 0.282 465 S C -1.193 173.392 174.600 -0.025 0.000 1.338 465 S CA -1.097 57.082 58.200 -0.036 0.000 1.045 465 S CB 0.836 64.015 63.200 -0.035 0.000 0.873 465 S HN 0.565 nan 8.310 nan 0.000 0.516 466 P HA -0.273 nan 4.420 nan 0.000 0.219 466 P C 1.031 178.335 177.300 0.007 0.000 1.161 466 P CA 1.955 65.061 63.100 0.009 0.000 0.909 466 P CB -0.244 31.469 31.700 0.022 0.000 0.793 467 N N -0.929 117.775 118.700 0.008 0.000 2.069 467 N HA -0.137 4.599 4.740 -0.007 0.000 0.191 467 N C 2.109 177.710 175.510 0.152 0.000 1.031 467 N CA 1.298 54.388 53.050 0.067 0.000 0.852 467 N CB -0.477 37.976 38.487 -0.057 0.000 1.018 467 N HN 0.169 nan 8.380 nan 0.000 0.423 468 C N 1.313 120.689 119.300 0.127 0.000 2.398 468 C HA -0.118 4.338 4.460 -0.007 0.000 0.276 468 C C 2.486 177.444 174.990 -0.054 0.000 1.222 468 C CA 0.737 59.798 59.018 0.072 0.000 1.746 468 C CB -0.822 26.928 27.740 0.015 0.000 2.039 468 C HN 0.461 nan 8.230 nan 0.000 0.470 469 K N 0.204 120.542 120.400 -0.104 0.000 2.000 469 K HA -0.271 4.045 4.320 -0.007 0.000 0.218 469 K C 2.119 178.546 176.600 -0.289 0.000 1.053 469 K CA 1.935 58.086 56.287 -0.227 0.000 0.946 469 K CB -0.429 31.908 32.500 -0.272 0.000 0.723 469 K HN 0.593 nan 8.250 nan 0.000 0.446 470 Q N 0.287 119.945 119.800 -0.237 0.000 2.182 470 Q HA -0.263 4.073 4.340 -0.007 0.000 0.213 470 Q C 2.164 178.086 176.000 -0.130 0.000 1.000 470 Q CA 1.577 57.269 55.803 -0.184 0.000 0.889 470 Q CB -0.122 28.599 28.738 -0.029 0.000 0.932 470 Q HN 0.311 nan 8.270 nan 0.000 0.415 471 Q N -0.342 119.397 119.800 -0.101 0.000 2.224 471 Q HA -0.084 4.252 4.340 -0.007 0.000 0.203 471 Q C 2.163 178.105 176.000 -0.098 0.000 0.970 471 Q CA 0.881 56.622 55.803 -0.104 0.000 0.865 471 Q CB -0.210 28.436 28.738 -0.154 0.000 0.922 471 Q HN 0.284 nan 8.270 nan 0.000 0.445 472 V N 0.101 119.934 119.914 -0.134 0.000 2.548 472 V HA -0.145 3.971 4.120 -0.007 0.000 0.249 472 V C 2.300 178.333 176.094 -0.101 0.000 1.055 472 V CA 0.935 63.160 62.300 -0.126 0.000 1.065 472 V CB -0.263 31.457 31.823 -0.172 0.000 0.681 472 V HN 0.089 nan 8.190 nan 0.000 0.462 473 V N -0.130 119.699 119.914 -0.141 0.000 2.453 473 V HA -0.177 3.939 4.120 -0.007 0.000 0.247 473 V C 2.536 178.649 176.094 0.032 0.000 1.048 473 V CA 1.757 64.014 62.300 -0.072 0.000 1.049 473 V CB -0.652 31.106 31.823 -0.109 0.000 0.672 473 V HN 0.489 nan 8.190 nan 0.000 0.457 474 R N -0.240 120.268 120.500 0.014 0.000 2.073 474 R HA -0.009 4.327 4.340 -0.007 0.000 0.229 474 R C 2.255 178.635 176.300 0.133 0.000 1.120 474 R CA 1.417 57.567 56.100 0.082 0.000 0.967 474 R CB -0.365 29.952 30.300 0.029 0.000 0.862 474 R HN 0.417 nan 8.270 nan 0.000 0.436 475 I N 0.915 121.524 120.570 0.064 0.000 2.163 475 I HA -0.314 3.852 4.170 -0.007 0.000 0.243 475 I C 2.362 178.527 176.117 0.080 0.000 1.085 475 I CA 1.496 62.837 61.300 0.068 0.000 1.347 475 I CB -0.377 37.640 38.000 0.028 0.000 1.044 475 I HN 0.129 nan 8.210 nan 0.000 0.408 476 I N -0.045 120.565 120.570 0.067 0.000 2.099 476 I HA -0.371 3.795 4.170 -0.007 0.000 0.239 476 I C 2.722 178.896 176.117 0.094 0.000 1.066 476 I CA 1.864 63.205 61.300 0.067 0.000 1.324 476 I CB -0.685 37.348 38.000 0.055 0.000 1.037 476 I HN 0.205 nan 8.210 nan 0.000 0.401 477 Y N 2.529 122.847 120.300 0.030 0.000 2.139 477 Y HA -0.355 4.191 4.550 -0.007 0.000 0.282 477 Y C 2.238 178.168 175.900 0.050 0.000 1.179 477 Y CA 2.103 60.226 58.100 0.039 0.000 1.161 477 Y CB -0.485 37.995 38.460 0.033 0.000 0.970 477 Y HN 0.232 nan 8.280 nan 0.000 0.511 478 N N -0.057 118.676 118.700 0.055 0.000 2.381 478 N HA -0.119 4.617 4.740 -0.007 0.000 0.182 478 N C 1.545 177.056 175.510 0.002 0.000 1.025 478 N CA 1.224 54.279 53.050 0.008 0.000 0.888 478 N CB -0.175 38.389 38.487 0.128 0.000 0.965 478 N HN 0.370 nan 8.380 nan 0.000 0.438 479 I N 0.475 121.065 120.570 0.033 0.000 2.339 479 I HA -0.110 4.056 4.170 -0.007 0.000 0.245 479 I C 2.250 178.400 176.117 0.055 0.000 1.096 479 I CA 1.163 62.534 61.300 0.119 0.000 1.408 479 I CB -1.712 36.352 38.000 0.106 0.000 1.092 479 I HN 0.207 nan 8.210 nan 0.000 0.423 480 T N -0.663 113.859 114.554 -0.053 0.000 2.897 480 T HA -0.164 4.182 4.350 -0.007 0.000 0.271 480 T C 1.895 176.480 174.700 -0.191 0.000 1.084 480 T CA 0.695 62.732 62.100 -0.104 0.000 1.123 480 T CB -0.288 68.522 68.868 -0.096 0.000 0.865 480 T HN 0.089 nan 8.240 nan 0.000 0.496 481 R N 2.377 122.729 120.500 -0.246 0.000 2.211 481 R HA 0.009 4.345 4.340 -0.007 0.000 0.240 481 R C 1.160 177.330 176.300 -0.216 0.000 1.144 481 R CA 1.032 56.992 56.100 -0.233 0.000 0.992 481 R CB -0.969 29.212 30.300 -0.198 0.000 0.869 481 R HN 0.733 nan 8.270 nan 0.000 0.462 482 S N 0.399 115.935 115.700 -0.272 0.000 2.667 482 S HA 0.278 4.744 4.470 -0.007 0.000 0.304 482 S C 0.809 175.083 174.600 -0.543 0.000 1.135 482 S CA -0.935 56.995 58.200 -0.449 0.000 1.125 482 S CB 2.060 64.864 63.200 -0.661 0.000 0.996 482 S HN 0.198 nan 8.310 nan 0.000 0.474 483 K N 3.859 123.927 120.400 -0.554 0.000 2.071 483 K HA -0.361 3.955 4.320 -0.007 0.000 0.217 483 K C 1.185 177.475 176.600 -0.515 0.000 1.054 483 K CA 2.482 58.330 56.287 -0.731 0.000 0.937 483 K CB -1.025 30.735 32.500 -1.234 0.000 0.719 483 K HN 0.550 nan 8.250 nan 0.000 0.454 484 N N 0.960 119.368 118.700 -0.486 0.000 2.069 484 N HA -0.213 4.523 4.740 -0.007 0.000 0.196 484 N C 1.526 177.000 175.510 -0.059 0.000 1.024 484 N CA 2.050 54.926 53.050 -0.289 0.000 0.869 484 N CB -0.678 37.619 38.487 -0.317 0.000 1.035 484 N HN 0.210 nan 8.380 nan 0.000 0.434 485 F N 0.681 120.564 119.950 -0.111 0.000 2.365 485 F HA 0.143 4.666 4.527 -0.007 0.000 0.300 485 F C 2.015 177.776 175.800 -0.065 0.000 1.090 485 F CA -0.546 57.407 58.000 -0.078 0.000 1.408 485 F CB -0.937 38.020 39.000 -0.072 0.000 1.060 485 F HN 0.022 nan 8.300 nan 0.000 0.534 486 I N 0.600 121.209 120.570 0.065 0.000 2.113 486 I HA -0.310 3.856 4.170 -0.007 0.000 0.242 486 I C -0.265 175.893 176.117 0.068 0.000 1.064 486 I CA 1.838 63.168 61.300 0.050 0.000 1.320 486 I CB -1.846 36.166 38.000 0.021 0.000 1.028 486 I HN 0.081 nan 8.210 nan 0.000 0.406 487 P HA -0.237 nan 4.420 nan 0.000 0.213 487 P C 1.664 178.992 177.300 0.046 0.000 1.170 487 P CA 1.580 64.715 63.100 0.058 0.000 0.902 487 P CB -0.103 31.629 31.700 0.053 0.000 0.789 488 Q N -0.785 119.044 119.800 0.048 0.000 2.084 488 Q HA -0.179 4.157 4.340 -0.007 0.000 0.202 488 Q C 1.970 177.979 176.000 0.016 0.000 0.978 488 Q CA 1.158 56.975 55.803 0.023 0.000 0.844 488 Q CB -0.722 28.021 28.738 0.010 0.000 0.898 488 Q HN 0.078 nan 8.270 nan 0.000 0.426 489 L N 0.207 121.448 121.223 0.031 0.000 2.450 489 L HA -0.050 4.286 4.340 -0.007 0.000 0.224 489 L C 1.729 178.612 176.870 0.021 0.000 1.149 489 L CA 1.703 56.557 54.840 0.024 0.000 0.816 489 L CB -0.396 41.691 42.059 0.046 0.000 0.932 489 L HN 0.176 nan 8.230 nan 0.000 0.449 490 A N -1.115 121.719 122.820 0.024 0.000 1.903 490 A HA -0.097 4.219 4.320 -0.007 0.000 0.213 490 A C 2.152 179.736 177.584 -0.000 0.000 1.185 490 A CA 1.011 53.056 52.037 0.012 0.000 0.628 490 A CB -0.360 18.651 19.000 0.018 0.000 0.830 490 A HN 0.573 nan 8.150 nan 0.000 0.446 491 Q N -0.297 119.505 119.800 0.003 0.000 2.224 491 Q HA -0.146 4.190 4.340 -0.007 0.000 0.203 491 Q C 1.641 177.643 176.000 0.003 0.000 0.970 491 Q CA 1.190 56.993 55.803 0.001 0.000 0.865 491 Q CB -0.136 28.604 28.738 0.002 0.000 0.922 491 Q HN 0.710 nan 8.270 nan 0.000 0.445 492 Q N -0.667 119.135 119.800 0.004 0.000 2.482 492 Q HA 0.021 4.357 4.340 -0.007 0.000 0.209 492 Q C 0.610 176.614 176.000 0.007 0.000 0.961 492 Q CA 0.449 56.256 55.803 0.007 0.000 0.945 492 Q CB 0.404 29.143 28.738 0.003 0.000 1.012 492 Q HN 0.553 nan 8.270 nan 0.000 0.515 493 G N -0.050 108.753 108.800 0.005 0.000 2.132 493 G HA2 -0.351 3.605 3.960 -0.007 0.000 0.234 493 G HA3 -0.351 3.605 3.960 -0.007 0.000 0.234 493 G C 0.779 175.679 174.900 -0.001 0.000 0.989 493 G CA 0.279 45.383 45.100 0.006 0.000 0.676 493 G HN 0.448 nan 8.290 nan 0.000 0.522 494 A N -0.147 122.673 122.820 0.000 0.000 1.851 494 A HA 0.101 4.417 4.320 -0.007 0.000 0.216 494 A C 2.558 180.147 177.584 0.009 0.000 1.195 494 A CA 2.760 54.800 52.037 0.005 0.000 0.622 494 A CB -0.714 18.296 19.000 0.017 0.000 0.831 494 A HN 1.168 nan 8.150 nan 0.000 0.444 495 V N 0.118 120.035 119.914 0.006 0.000 2.828 495 V HA -0.276 3.840 4.120 -0.007 0.000 0.260 495 V C 2.305 178.402 176.094 0.005 0.000 1.101 495 V CA 2.286 64.591 62.300 0.008 0.000 1.123 495 V CB -0.853 30.946 31.823 -0.040 0.000 0.704 495 V HN 0.521 nan 8.190 nan 0.000 0.493 496 K N -0.197 120.202 120.400 -0.003 0.000 2.044 496 K HA 0.059 4.375 4.320 -0.007 0.000 0.204 496 K C 2.022 178.617 176.600 -0.008 0.000 1.045 496 K CA 1.104 57.388 56.287 -0.005 0.000 0.951 496 K CB -0.186 32.319 32.500 0.008 0.000 0.738 496 K HN 0.317 nan 8.250 nan 0.000 0.443 497 I N 1.252 121.817 120.570 -0.007 0.000 2.043 497 I HA -0.376 3.790 4.170 -0.007 0.000 0.231 497 I C 2.240 178.370 176.117 0.021 0.000 1.024 497 I CA 1.259 62.553 61.300 -0.010 0.000 1.309 497 I CB -0.483 37.498 38.000 -0.031 0.000 1.030 497 I HN 0.069 nan 8.210 nan 0.000 0.389 498 I N 0.370 120.957 120.570 0.027 0.000 2.121 498 I HA -0.343 3.823 4.170 -0.007 0.000 0.243 498 I C 2.405 178.511 176.117 -0.018 0.000 1.047 498 I CA 1.707 63.038 61.300 0.051 0.000 1.308 498 I CB -0.643 37.383 38.000 0.042 0.000 1.015 498 I HN 0.245 nan 8.210 nan 0.000 0.410 499 L N -0.482 120.722 121.223 -0.031 0.000 2.141 499 L HA -0.215 4.121 4.340 -0.007 0.000 0.209 499 L C 2.443 179.282 176.870 -0.052 0.000 1.094 499 L CA 1.452 56.248 54.840 -0.073 0.000 0.763 499 L CB -0.280 41.839 42.059 0.100 0.000 0.908 499 L HN 0.314 nan 8.230 nan 0.000 0.437 500 E N -1.412 118.785 120.200 -0.004 0.000 2.152 500 E HA -0.241 4.105 4.350 -0.007 0.000 0.192 500 E C 1.854 178.480 176.600 0.043 0.000 0.983 500 E CA 0.770 57.176 56.400 0.010 0.000 0.818 500 E CB -0.007 29.687 29.700 -0.010 0.000 0.758 500 E HN 0.530 nan 8.360 nan 0.000 0.467 501 Y N 1.195 121.438 120.300 -0.095 0.000 2.109 501 Y HA -0.141 4.405 4.550 -0.007 0.000 0.285 501 Y C 1.840 177.664 175.900 -0.126 0.000 1.131 501 Y CA 1.343 59.388 58.100 -0.091 0.000 1.121 501 Y CB -0.586 37.819 38.460 -0.092 0.000 0.987 501 Y HN -0.048 nan 8.280 nan 0.000 0.495 502 L N 0.536 121.495 121.223 -0.441 0.000 2.357 502 L HA -0.239 4.097 4.340 -0.007 0.000 0.220 502 L C 2.042 178.717 176.870 -0.326 0.000 1.123 502 L CA 1.050 55.481 54.840 -0.682 0.000 0.782 502 L CB -0.870 40.377 42.059 -1.353 0.000 0.910 502 L HN 0.399 nan 8.230 nan 0.000 0.442 503 A N -0.829 121.923 122.820 -0.114 0.000 2.346 503 A HA 0.078 4.394 4.320 -0.007 0.000 0.242 503 A C 0.624 178.221 177.584 0.021 0.000 1.323 503 A CA 0.213 52.310 52.037 0.099 0.000 0.940 503 A CB -0.535 18.542 19.000 0.129 0.000 0.943 503 A HN 0.419 nan 8.150 nan 0.000 0.501 504 N N -0.075 118.579 118.700 -0.078 0.000 2.297 504 N HA 0.282 5.018 4.740 -0.007 0.000 0.173 504 N C 0.097 175.565 175.510 -0.069 0.000 1.566 504 N CA -0.322 52.687 53.050 -0.068 0.000 1.092 504 N CB 0.207 38.638 38.487 -0.092 0.000 1.459 504 N HN 0.267 nan 8.380 nan 0.000 0.310 510 E N 0.834 121.035 120.200 0.002 0.000 2.373 510 E HA 0.383 4.729 4.350 -0.007 0.000 0.263 510 E C -1.584 175.021 176.600 0.007 0.000 1.073 510 E CA -1.610 54.796 56.400 0.010 0.000 0.894 510 E CB 1.321 31.036 29.700 0.025 0.000 1.008 510 E HN -0.027 nan 8.360 nan 0.000 0.420 511 P HA -0.151 nan 4.420 nan 0.000 0.216 511 P C 1.151 178.439 177.300 -0.019 0.000 1.150 511 P CA 0.558 63.651 63.100 -0.011 0.000 0.837 511 P CB 0.127 31.816 31.700 -0.018 0.000 0.786 512 I N -0.057 120.515 120.570 0.004 0.000 2.248 512 I HA -0.243 3.923 4.170 -0.007 0.000 0.248 512 I C 2.333 178.479 176.117 0.049 0.000 1.107 512 I CA 1.612 62.924 61.300 0.020 0.000 1.373 512 I CB -0.472 37.577 38.000 0.082 0.000 1.055 512 I HN -0.205 nan 8.210 nan 0.000 0.418 513 R N 0.411 120.939 120.500 0.046 0.000 2.092 513 R HA -0.115 4.221 4.340 -0.007 0.000 0.231 513 R C 2.266 178.565 176.300 -0.001 0.000 1.119 513 R CA 1.804 57.908 56.100 0.006 0.000 0.970 513 R CB -0.330 29.936 30.300 -0.058 0.000 0.864 513 R HN 0.442 nan 8.270 nan 0.000 0.440 514 I N 0.847 121.415 120.570 -0.003 0.000 2.676 514 I HA -0.210 3.956 4.170 -0.007 0.000 0.259 514 I C 2.189 178.300 176.117 -0.010 0.000 1.194 514 I CA 0.418 61.722 61.300 0.007 0.000 1.473 514 I CB -0.019 37.984 38.000 0.006 0.000 1.096 514 I HN 0.241 nan 8.210 nan 0.000 0.443 515 L N 0.512 121.696 121.223 -0.066 0.000 2.179 515 L HA 0.090 4.426 4.340 -0.007 0.000 0.208 515 L C 2.222 179.062 176.870 -0.050 0.000 1.096 515 L CA 1.419 56.141 54.840 -0.197 0.000 0.779 515 L CB -0.386 41.459 42.059 -0.357 0.000 0.922 515 L HN 0.115 nan 8.230 nan 0.000 0.443 516 G N -1.869 106.951 108.800 0.032 0.000 2.623 516 G HA2 -0.160 3.796 3.960 -0.007 0.000 0.214 516 G HA3 -0.160 3.796 3.960 -0.007 0.000 0.214 516 G C 1.482 176.433 174.900 0.086 0.000 1.138 516 G CA 0.616 45.780 45.100 0.107 0.000 0.794 516 G HN 0.456 nan 8.290 nan 0.000 0.535 517 C N 0.015 119.350 119.300 0.059 0.000 2.476 517 C HA 0.133 4.589 4.460 -0.007 0.000 0.278 517 C C 2.960 178.015 174.990 0.108 0.000 1.274 517 C CA 0.464 59.522 59.018 0.067 0.000 1.713 517 C CB -0.572 27.213 27.740 0.075 0.000 2.039 517 C HN 0.469 nan 8.230 nan 0.000 0.484 518 R N 0.806 121.385 120.500 0.132 0.000 2.091 518 R HA -0.155 4.181 4.340 -0.007 0.000 0.238 518 R C 2.324 178.743 176.300 0.198 0.000 1.136 518 R CA 1.701 57.906 56.100 0.176 0.000 0.959 518 R CB -0.578 29.884 30.300 0.270 0.000 0.856 518 R HN 0.569 nan 8.270 nan 0.000 0.437 519 A N 1.570 124.550 122.820 0.268 0.000 1.849 519 A HA -0.225 4.091 4.320 -0.007 0.000 0.217 519 A C 2.136 179.800 177.584 0.133 0.000 1.202 519 A CA 1.601 53.766 52.037 0.215 0.000 0.629 519 A CB -0.823 18.327 19.000 0.250 0.000 0.834 519 A HN 0.301 nan 8.150 nan 0.000 0.447 520 L N -0.219 121.075 121.223 0.119 0.000 2.089 520 L HA -0.194 4.142 4.340 -0.007 0.000 0.213 520 L C 2.394 179.334 176.870 0.118 0.000 1.079 520 L CA 2.946 57.853 54.840 0.112 0.000 0.758 520 L CB -0.955 41.167 42.059 0.104 0.000 0.891 520 L HN 0.428 nan 8.230 nan 0.000 0.433 521 T N -1.078 113.536 114.554 0.100 0.000 2.732 521 T HA -0.171 4.175 4.350 -0.007 0.000 0.261 521 T C 1.975 176.712 174.700 0.061 0.000 1.040 521 T CA 1.365 63.503 62.100 0.063 0.000 1.145 521 T CB -0.252 68.636 68.868 0.034 0.000 0.866 521 T HN 0.222 nan 8.240 nan 0.000 0.427 522 R N 1.104 121.656 120.500 0.088 0.000 2.127 522 R HA 0.052 4.388 4.340 -0.007 0.000 0.238 522 R C 2.225 178.649 176.300 0.207 0.000 1.134 522 R CA 1.541 57.725 56.100 0.141 0.000 0.975 522 R CB -0.539 29.824 30.300 0.105 0.000 0.865 522 R HN 0.439 nan 8.270 nan 0.000 0.447 523 M N -0.923 118.765 119.600 0.147 0.000 2.123 523 M HA -0.082 4.394 4.480 -0.007 0.000 0.263 523 M C 1.586 177.975 176.300 0.150 0.000 1.069 523 M CA 1.119 56.511 55.300 0.153 0.000 1.133 523 M CB -0.236 32.432 32.600 0.113 0.000 1.356 523 M HN 0.063 nan 8.290 nan 0.000 0.415 524 L N 0.293 121.595 121.223 0.132 0.000 2.275 524 L HA -0.089 4.247 4.340 -0.007 0.000 0.215 524 L C 2.138 179.027 176.870 0.032 0.000 1.119 524 L CA 1.415 56.336 54.840 0.136 0.000 0.790 524 L CB -0.779 41.373 42.059 0.154 0.000 0.919 524 L HN 0.273 nan 8.230 nan 0.000 0.443 525 I N -1.885 118.658 120.570 -0.046 0.000 2.233 525 I HA -0.237 3.929 4.170 -0.007 0.000 0.243 525 I C 1.089 176.982 176.117 -0.373 0.000 1.093 525 I CA 1.141 62.276 61.300 -0.274 0.000 1.380 525 I CB -0.069 37.647 38.000 -0.473 0.000 1.067 525 I HN 0.094 nan 8.210 nan 0.000 0.413 526 F N 1.080 121.029 119.950 -0.003 0.000 2.798 526 F HA 0.132 4.655 4.527 -0.007 0.000 0.291 526 F C 0.812 176.622 175.800 0.018 0.000 1.174 526 F CA -0.163 57.837 58.000 -0.001 0.000 1.392 526 F CB -0.382 38.609 39.000 -0.015 0.000 0.966 526 F HN 0.006 nan 8.300 nan 0.000 0.509 527 T N -3.732 110.901 114.554 0.131 0.000 2.864 527 T HA 0.364 4.710 4.350 -0.007 0.000 0.299 527 T C -0.953 173.805 174.700 0.097 0.000 1.166 527 T CA -1.148 61.021 62.100 0.114 0.000 1.007 527 T CB 1.885 70.819 68.868 0.110 0.000 1.219 527 T HN -0.012 nan 8.240 nan 0.000 0.506 528 N N 1.283 120.037 118.700 0.090 0.000 2.422 528 N HA 0.405 5.141 4.740 -0.007 0.000 0.264 528 N C -1.892 173.703 175.510 0.143 0.000 1.063 528 N CA -2.097 51.009 53.050 0.093 0.000 0.959 528 N CB 1.365 39.894 38.487 0.071 0.000 1.087 528 N HN 0.269 nan 8.380 nan 0.000 0.483 529 P HA -0.029 nan 4.420 nan 0.000 0.221 529 P C 0.837 178.315 177.300 0.297 0.000 1.145 529 P CA 0.852 64.150 63.100 0.330 0.000 0.795 529 P CB 0.205 32.009 31.700 0.173 0.000 0.775 530 G N -0.406 108.490 108.800 0.160 0.000 2.408 530 G HA2 -0.124 3.833 3.960 -0.007 0.000 0.213 530 G HA3 -0.124 3.833 3.960 -0.007 0.000 0.213 530 G C 1.272 176.218 174.900 0.076 0.000 1.177 530 G CA 0.076 45.245 45.100 0.115 0.000 0.802 530 G HN 0.206 nan 8.290 nan 0.000 0.533 531 L N 0.105 121.361 121.223 0.055 0.000 2.549 531 L HA 0.107 4.443 4.340 -0.007 0.000 0.230 531 L C 2.189 179.043 176.870 -0.026 0.000 1.162 531 L CA 0.381 55.231 54.840 0.018 0.000 0.834 531 L CB -0.232 41.840 42.059 0.022 0.000 0.947 531 L HN 0.266 nan 8.230 nan 0.000 0.452 532 I N -2.223 118.315 120.570 -0.054 0.000 3.818 532 I HA -0.007 4.159 4.170 -0.007 0.000 0.242 532 I C 0.654 176.572 176.117 -0.331 0.000 1.111 532 I CA 0.140 61.285 61.300 -0.259 0.000 1.576 532 I CB 0.123 37.829 38.000 -0.490 0.000 1.572 532 I HN -0.104 nan 8.210 nan 0.000 0.450 533 F N 2.399 122.386 119.950 0.062 0.000 2.818 533 F HA 0.103 4.626 4.527 -0.007 0.000 0.303 533 F C 1.680 177.497 175.800 0.029 0.000 1.250 533 F CA 0.341 58.381 58.000 0.067 0.000 1.409 533 F CB -0.702 38.341 39.000 0.071 0.000 1.183 533 F HN -0.027 nan 8.300 nan 0.000 0.534 534 K N 0.206 120.635 120.400 0.048 0.000 2.487 534 K HA 0.019 4.335 4.320 -0.007 0.000 0.192 534 K C 1.088 177.660 176.600 -0.046 0.000 1.027 534 K CA 0.666 56.961 56.287 0.014 0.000 1.054 534 K CB 0.275 32.766 32.500 -0.015 0.000 0.824 534 K HN 0.361 nan 8.250 nan 0.000 0.510 535 K N -1.682 118.667 120.400 -0.084 0.000 2.889 535 K HA 0.075 4.391 4.320 -0.007 0.000 0.209 535 K C 0.019 176.507 176.600 -0.186 0.000 1.651 535 K CA -0.086 56.054 56.287 -0.244 0.000 1.170 535 K CB 0.247 32.417 32.500 -0.550 0.000 1.981 535 K HN -0.103 nan 8.250 nan 0.000 0.522 536 Y N 2.981 123.332 120.300 0.085 0.000 2.873 536 Y HA 0.288 4.834 4.550 -0.007 0.000 0.375 536 Y C 0.269 176.285 175.900 0.193 0.000 1.070 536 Y CA -0.332 57.838 58.100 0.117 0.000 1.644 536 Y CB -0.478 38.040 38.460 0.098 0.000 1.495 536 Y HN 0.146 nan 8.280 nan 0.000 0.494 537 S N 0.130 116.004 115.700 0.289 0.000 3.626 537 S HA -0.245 4.221 4.470 -0.007 0.000 0.811 537 S C 1.105 175.886 174.600 0.302 0.000 1.550 537 S CA 0.534 58.874 58.200 0.235 0.000 1.319 537 S CB -0.325 62.962 63.200 0.145 0.000 0.377 537 S HN 0.758 nan 8.310 nan 0.000 0.613 538 A N 2.042 124.883 122.820 0.035 0.000 2.055 538 A HA 0.388 4.704 4.320 -0.007 0.000 0.205 538 A C 1.694 179.175 177.584 -0.171 0.000 1.235 538 A CA 0.775 52.615 52.037 -0.328 0.000 0.822 538 A CB -0.379 18.240 19.000 -0.635 0.000 0.903 538 A HN 0.805 nan 8.150 nan 0.000 0.473 539 L N 1.208 122.389 121.223 -0.071 0.000 2.556 539 L HA -0.172 4.164 4.340 -0.007 0.000 0.230 539 L C 1.550 178.436 176.870 0.026 0.000 1.163 539 L CA 1.344 56.175 54.840 -0.016 0.000 0.819 539 L CB -1.095 40.873 42.059 -0.152 0.000 0.939 539 L HN 0.376 nan 8.230 nan 0.000 0.452 540 N N -0.899 117.830 118.700 0.050 0.000 2.354 540 N HA -0.005 4.731 4.740 -0.007 0.000 0.179 540 N C 1.924 177.497 175.510 0.106 0.000 1.021 540 N CA 0.945 54.054 53.050 0.097 0.000 0.887 540 N CB -0.099 38.512 38.487 0.206 0.000 0.974 540 N HN 0.353 nan 8.380 nan 0.000 0.437 541 A N 0.580 123.481 122.820 0.135 0.000 1.970 541 A HA 0.012 4.328 4.320 -0.007 0.000 0.216 541 A C 1.789 179.409 177.584 0.061 0.000 1.170 541 A CA 0.552 52.720 52.037 0.218 0.000 0.645 541 A CB -0.316 18.783 19.000 0.164 0.000 0.816 541 A HN 0.091 nan 8.150 nan 0.000 0.447 542 I N 0.430 120.987 120.570 -0.022 0.000 2.151 542 I HA -0.192 3.974 4.170 -0.007 0.000 0.243 542 I C -0.394 175.694 176.117 -0.047 0.000 1.080 542 I CA 1.639 62.912 61.300 -0.045 0.000 1.339 542 I CB -2.460 35.531 38.000 -0.014 0.000 1.039 542 I HN 0.162 nan 8.210 nan 0.000 0.409 543 P HA -0.161 nan 4.420 nan 0.000 0.215 543 P C 1.889 179.098 177.300 -0.151 0.000 1.157 543 P CA 1.577 64.579 63.100 -0.164 0.000 0.874 543 P CB -0.148 31.264 31.700 -0.480 0.000 0.790 544 F N -1.290 118.736 119.950 0.126 0.000 2.146 544 F HA -0.078 4.445 4.527 -0.007 0.000 0.298 544 F C 2.365 178.205 175.800 0.068 0.000 1.096 544 F CA 0.833 58.887 58.000 0.090 0.000 1.275 544 F CB -1.772 37.271 39.000 0.072 0.000 1.008 544 F HN -0.188 nan 8.300 nan 0.000 0.480 545 L N -1.400 119.922 121.223 0.165 0.000 2.012 545 L HA -0.247 4.089 4.340 -0.007 0.000 0.210 545 L C 2.472 179.309 176.870 -0.055 0.000 1.073 545 L CA 1.447 56.291 54.840 0.007 0.000 0.748 545 L CB -0.774 41.208 42.059 -0.129 0.000 0.891 545 L HN 0.051 nan 8.230 nan 0.000 0.431 546 F N 0.578 120.497 119.950 -0.052 0.000 2.202 546 F HA -0.220 4.303 4.527 -0.007 0.000 0.301 546 F C 2.469 178.301 175.800 0.052 0.000 1.082 546 F CA 1.342 59.329 58.000 -0.020 0.000 1.313 546 F CB -0.344 38.645 39.000 -0.017 0.000 1.024 546 F HN 0.127 nan 8.300 nan 0.000 0.495 547 E N -0.066 120.279 120.200 0.241 0.000 2.219 547 E HA -0.201 4.145 4.350 -0.007 0.000 0.198 547 E C 1.387 178.063 176.600 0.127 0.000 0.998 547 E CA 0.774 57.282 56.400 0.181 0.000 0.818 547 E CB -0.300 29.509 29.700 0.182 0.000 0.741 547 E HN 0.405 nan 8.360 nan 0.000 0.477 548 L N 1.349 122.629 121.223 0.095 0.000 2.805 548 L HA 0.223 4.559 4.340 -0.007 0.000 0.237 548 L C 0.070 176.962 176.870 0.037 0.000 1.252 548 L CA -0.084 54.790 54.840 0.057 0.000 1.064 548 L CB -0.020 42.062 42.059 0.039 0.000 1.361 548 L HN 0.017 nan 8.230 nan 0.000 0.474 549 L N -1.429 119.838 121.223 0.073 0.000 2.322 549 L HA 0.583 4.919 4.340 -0.007 0.000 0.252 549 L C -2.368 174.569 176.870 0.112 0.000 1.055 549 L CA -1.951 52.937 54.840 0.079 0.000 0.849 549 L CB 2.232 44.342 42.059 0.085 0.000 1.446 549 L HN -0.162 nan 8.230 nan 0.000 0.416 550 P HA 0.332 nan 4.420 nan 0.000 0.272 550 P C -1.455 175.899 177.300 0.091 0.000 1.240 550 P CA -0.331 62.814 63.100 0.075 0.000 0.791 550 P CB 0.551 32.280 31.700 0.049 0.000 0.978 551 R N 0.113 120.646 120.500 0.055 0.000 2.566 551 R HA 0.300 4.636 4.340 -0.007 0.000 0.271 551 R C 0.030 176.335 176.300 0.009 0.000 1.071 551 R CA -0.423 55.699 56.100 0.037 0.000 0.915 551 R CB 1.548 31.875 30.300 0.044 0.000 1.228 551 R HN 0.281 nan 8.270 nan 0.000 0.449 552 S N 0.183 115.876 115.700 -0.011 0.000 2.575 552 S HA -0.020 4.446 4.470 -0.007 0.000 0.215 552 S C 0.656 175.242 174.600 -0.024 0.000 0.966 552 S CA 0.174 58.362 58.200 -0.020 0.000 0.911 552 S CB 0.246 63.427 63.200 -0.031 0.000 0.780 552 S HN 0.723 nan 8.310 nan 0.000 0.514 553 T N 1.556 116.095 114.554 -0.025 0.000 2.907 553 T HA 0.351 4.697 4.350 -0.007 0.000 0.284 553 T C -2.870 171.821 174.700 -0.014 0.000 1.004 553 T CA -2.231 59.853 62.100 -0.027 0.000 1.063 553 T CB 0.856 69.701 68.868 -0.039 0.000 0.992 553 T HN -0.117 nan 8.240 nan 0.000 0.483 554 P HA 0.078 nan 4.420 nan 0.000 0.238 554 P C 0.981 178.280 177.300 -0.002 0.000 1.434 554 P CA 0.202 63.297 63.100 -0.007 0.000 1.292 554 P CB -0.710 30.985 31.700 -0.009 0.000 1.804 555 V N 2.477 122.393 119.914 0.004 0.000 2.102 555 V HA -0.367 3.749 4.120 -0.007 0.000 0.121 555 V C 1.210 177.311 176.094 0.011 0.000 2.705 555 V CA 2.157 64.464 62.300 0.011 0.000 2.040 555 V CB -0.627 31.202 31.823 0.011 0.000 1.194 555 V HN 0.462 nan 8.190 nan 0.000 0.445 556 D N -1.318 119.092 120.400 0.017 0.000 3.016 556 D HA 0.236 4.872 4.640 -0.007 0.000 0.237 556 D C 1.150 177.457 176.300 0.012 0.000 1.275 556 D CA 0.637 54.648 54.000 0.018 0.000 1.231 556 D CB -0.086 40.732 40.800 0.030 0.000 0.924 556 D HN 0.828 nan 8.370 nan 0.000 0.200 557 D N -0.796 119.612 120.400 0.014 0.000 2.197 557 D HA -0.000 4.636 4.640 -0.007 0.000 0.212 557 D C -0.640 175.665 176.300 0.008 0.000 0.963 557 D CA 0.598 54.603 54.000 0.010 0.000 0.864 557 D CB 0.212 41.018 40.800 0.009 0.000 1.009 557 D HN 0.254 nan 8.370 nan 0.000 0.479 558 N N -0.572 118.134 118.700 0.010 0.000 4.133 558 N HA -0.133 4.603 4.740 -0.007 0.000 0.316 558 N C -2.472 173.042 175.510 0.007 0.000 2.208 558 N CA 0.285 53.340 53.050 0.008 0.000 2.916 558 N CB -0.966 37.526 38.487 0.007 0.000 0.314 558 N HN 0.023 nan 8.380 nan 0.000 0.696 564 E N 2.723 122.924 120.200 0.001 0.000 2.331 564 E HA 0.237 4.583 4.350 -0.007 0.000 0.275 564 E C -1.249 175.356 176.600 0.008 0.000 0.895 564 E CA -0.531 55.870 56.400 0.001 0.000 0.753 564 E CB 2.424 32.120 29.700 -0.006 0.000 1.216 564 E HN 0.451 nan 8.360 nan 0.000 0.434 565 Q N 3.413 123.219 119.800 0.010 0.000 2.256 565 Q HA 0.339 4.675 4.340 -0.007 0.000 0.232 565 Q C -0.530 175.484 176.000 0.023 0.000 0.965 565 Q CA -0.427 55.386 55.803 0.017 0.000 0.908 565 Q CB 0.922 29.669 28.738 0.015 0.000 1.209 565 Q HN 0.583 nan 8.270 nan 0.000 0.489 566 I N 3.403 123.990 120.570 0.028 0.000 2.377 566 I HA 0.206 4.372 4.170 -0.007 0.000 0.282 566 I C 0.287 176.426 176.117 0.037 0.000 1.091 566 I CA -0.360 60.962 61.300 0.036 0.000 1.207 566 I CB 0.689 38.714 38.000 0.041 0.000 1.429 566 I HN 0.537 nan 8.210 nan 0.000 0.491 567 K N 3.138 123.561 120.400 0.039 0.000 2.508 567 K HA -0.084 4.232 4.320 -0.007 0.000 0.273 567 K C 1.129 177.756 176.600 0.046 0.000 0.964 567 K CA -0.002 56.309 56.287 0.041 0.000 0.948 567 K CB 0.774 33.302 32.500 0.047 0.000 0.917 567 K HN 0.454 nan 8.250 nan 0.000 0.512 568 L N 2.996 124.244 121.223 0.041 0.000 2.131 568 L HA -0.141 4.195 4.340 -0.007 0.000 0.210 568 L C 2.281 179.194 176.870 0.073 0.000 1.092 568 L CA 2.168 57.034 54.840 0.043 0.000 0.759 568 L CB -0.657 41.417 42.059 0.025 0.000 0.903 568 L HN 0.975 nan 8.230 nan 0.000 0.435 569 T N -1.217 113.387 114.554 0.084 0.000 2.803 569 T HA -0.190 4.156 4.350 -0.007 0.000 0.269 569 T C 1.541 176.323 174.700 0.138 0.000 1.052 569 T CA 1.771 63.952 62.100 0.135 0.000 1.136 569 T CB -0.325 68.613 68.868 0.117 0.000 0.864 569 T HN 0.488 nan 8.240 nan 0.000 0.467 570 D N 0.730 121.184 120.400 0.089 0.000 2.123 570 D HA -0.041 4.595 4.640 -0.007 0.000 0.200 570 D C 2.026 178.354 176.300 0.047 0.000 0.976 570 D CA 1.019 55.057 54.000 0.062 0.000 0.831 570 D CB -0.537 40.296 40.800 0.055 0.000 0.974 570 D HN 0.523 nan 8.370 nan 0.000 0.469 571 N N -0.066 118.669 118.700 0.059 0.000 2.094 571 N HA -0.224 4.512 4.740 -0.007 0.000 0.191 571 N C 1.723 177.276 175.510 0.072 0.000 1.023 571 N CA 0.915 53.989 53.050 0.041 0.000 0.857 571 N CB -0.225 38.289 38.487 0.044 0.000 1.013 571 N HN 0.167 nan 8.380 nan 0.000 0.426 572 Y N 1.755 122.035 120.300 -0.032 0.000 2.133 572 Y HA -0.131 4.415 4.550 -0.007 0.000 0.287 572 Y C 2.316 178.188 175.900 -0.045 0.000 1.134 572 Y CA 1.435 59.513 58.100 -0.037 0.000 1.133 572 Y CB -0.657 37.792 38.460 -0.019 0.000 0.987 572 Y HN 0.055 nan 8.280 nan 0.000 0.502 573 E N 0.006 120.090 120.200 -0.193 0.000 2.023 573 E HA -0.204 4.142 4.350 -0.007 0.000 0.196 573 E C 2.365 178.841 176.600 -0.207 0.000 1.003 573 E CA 1.761 57.993 56.400 -0.281 0.000 0.809 573 E CB -0.523 29.111 29.700 -0.110 0.000 0.755 573 E HN 0.508 nan 8.360 nan 0.000 0.449 574 A N 0.203 122.946 122.820 -0.128 0.000 1.940 574 A HA -0.187 4.129 4.320 -0.007 0.000 0.219 574 A C 2.075 179.537 177.584 -0.205 0.000 1.176 574 A CA 1.220 53.167 52.037 -0.150 0.000 0.631 574 A CB -0.596 18.317 19.000 -0.145 0.000 0.814 574 A HN 0.299 nan 8.150 nan 0.000 0.446 575 L N -1.064 120.053 121.223 -0.176 0.000 2.017 575 L HA -0.113 4.223 4.340 -0.007 0.000 0.208 575 L C 2.346 179.116 176.870 -0.166 0.000 1.073 575 L CA 1.402 56.146 54.840 -0.159 0.000 0.745 575 L CB -0.944 41.081 42.059 -0.055 0.000 0.894 575 L HN 0.292 nan 8.230 nan 0.000 0.432 576 L N -0.665 120.426 121.223 -0.220 0.000 1.989 576 L HA -0.189 4.147 4.340 -0.007 0.000 0.211 576 L C 2.632 179.375 176.870 -0.213 0.000 1.071 576 L CA 2.145 56.838 54.840 -0.247 0.000 0.749 576 L CB -1.458 40.365 42.059 -0.393 0.000 0.890 576 L HN 0.267 nan 8.230 nan 0.000 0.431 577 A N -1.299 121.398 122.820 -0.204 0.000 1.933 577 A HA -0.180 4.136 4.320 -0.007 0.000 0.218 577 A C 2.240 179.739 177.584 -0.143 0.000 1.175 577 A CA 1.470 53.415 52.037 -0.153 0.000 0.628 577 A CB -0.776 18.160 19.000 -0.107 0.000 0.814 577 A HN 0.312 nan 8.150 nan 0.000 0.444 578 L N -0.076 121.041 121.223 -0.176 0.000 2.042 578 L HA -0.127 4.209 4.340 -0.007 0.000 0.210 578 L C 2.613 179.399 176.870 -0.140 0.000 1.076 578 L CA 2.604 57.330 54.840 -0.191 0.000 0.749 578 L CB -1.204 40.686 42.059 -0.282 0.000 0.893 578 L HN 0.417 nan 8.230 nan 0.000 0.432 579 T N -0.608 113.870 114.554 -0.126 0.000 2.674 579 T HA -0.191 4.155 4.350 -0.007 0.000 0.265 579 T C 1.777 176.421 174.700 -0.094 0.000 1.039 579 T CA 1.398 63.440 62.100 -0.096 0.000 1.150 579 T CB -0.384 68.433 68.868 -0.085 0.000 0.864 579 T HN 0.324 nan 8.240 nan 0.000 0.427 580 N N 1.569 120.208 118.700 -0.102 0.000 2.037 580 N HA -0.106 4.630 4.740 -0.007 0.000 0.196 580 N C 1.676 177.145 175.510 -0.070 0.000 1.034 580 N CA 1.392 54.393 53.050 -0.082 0.000 0.861 580 N CB -0.619 37.814 38.487 -0.090 0.000 1.039 580 N HN 0.375 nan 8.380 nan 0.000 0.427 581 L N -0.119 121.050 121.223 -0.090 0.000 2.642 581 L HA -0.086 4.250 4.340 -0.007 0.000 0.236 581 L C 1.999 178.801 176.870 -0.114 0.000 1.169 581 L CA 0.692 55.464 54.840 -0.113 0.000 0.851 581 L CB -0.355 41.603 42.059 -0.168 0.000 0.968 581 L HN 0.212 nan 8.230 nan 0.000 0.453 582 A N -0.384 122.368 122.820 -0.114 0.000 1.963 582 A HA -0.043 4.273 4.320 -0.007 0.000 0.207 582 A C 2.405 179.884 177.584 -0.174 0.000 1.243 582 A CA 0.757 52.698 52.037 -0.161 0.000 0.728 582 A CB -0.301 18.618 19.000 -0.135 0.000 0.895 582 A HN 0.392 nan 8.150 nan 0.000 0.467 583 S N 1.007 116.654 115.700 -0.089 0.000 2.404 583 S HA -0.186 4.280 4.470 -0.007 0.000 0.230 583 S C 1.169 175.784 174.600 0.026 0.000 1.046 583 S CA 1.234 59.415 58.200 -0.031 0.000 1.135 583 S CB -1.408 61.784 63.200 -0.014 0.000 1.056 583 S HN 0.447 nan 8.310 nan 0.000 0.426 584 S N 2.474 118.193 115.700 0.032 0.000 3.129 584 S HA -0.063 4.403 4.470 -0.007 0.000 0.371 584 S C 0.697 175.411 174.600 0.190 0.000 1.196 584 S CA 0.304 58.554 58.200 0.083 0.000 0.989 584 S CB -0.048 63.191 63.200 0.064 0.000 0.695 584 S HN 0.539 nan 8.310 nan 0.000 0.499 585 E N 1.085 121.389 120.200 0.173 0.000 2.445 585 E HA -0.001 4.345 4.350 -0.007 0.000 0.189 585 E C 0.910 177.558 176.600 0.079 0.000 1.069 585 E CA -0.113 56.376 56.400 0.148 0.000 0.871 585 E CB 0.064 29.796 29.700 0.054 0.000 0.991 585 E HN 0.817 nan 8.360 nan 0.000 0.481 586 T N -2.417 112.204 114.554 0.112 0.000 2.802 586 T HA 0.006 4.352 4.350 -0.007 0.000 0.305 586 T C 1.255 176.007 174.700 0.087 0.000 1.053 586 T CA -0.318 61.828 62.100 0.077 0.000 1.058 586 T CB 1.702 70.617 68.868 0.077 0.000 0.988 586 T HN -0.148 nan 8.240 nan 0.000 0.539 587 S N -0.047 115.685 115.700 0.052 0.000 2.447 587 S HA -0.092 4.374 4.470 -0.007 0.000 0.233 587 S C 1.263 175.906 174.600 0.071 0.000 1.006 587 S CA 1.176 59.404 58.200 0.047 0.000 0.957 587 S CB -0.889 62.326 63.200 0.025 0.000 0.773 587 S HN 0.766 nan 8.310 nan 0.000 0.507 588 D N 0.669 121.109 120.400 0.068 0.000 2.178 588 D HA 0.035 4.671 4.640 -0.007 0.000 0.202 588 D C 2.067 178.397 176.300 0.050 0.000 0.974 588 D CA 1.098 55.128 54.000 0.051 0.000 0.841 588 D CB -0.580 40.250 40.800 0.049 0.000 0.953 588 D HN 0.473 nan 8.370 nan 0.000 0.478 589 G N 0.529 109.390 108.800 0.102 0.000 2.414 589 G HA2 -0.300 3.656 3.960 -0.007 0.000 0.215 589 G HA3 -0.300 3.656 3.960 -0.007 0.000 0.215 589 G C 1.412 176.349 174.900 0.061 0.000 1.188 589 G CA 0.660 45.799 45.100 0.065 0.000 0.783 589 G HN 0.301 nan 8.290 nan 0.000 0.537 590 E N 0.078 120.486 120.200 0.348 0.000 2.070 590 E HA -0.244 4.102 4.350 -0.007 0.000 0.197 590 E C 2.327 178.999 176.600 0.119 0.000 1.004 590 E CA 1.529 58.142 56.400 0.354 0.000 0.805 590 E CB -0.127 29.708 29.700 0.225 0.000 0.744 590 E HN 0.344 nan 8.360 nan 0.000 0.451 591 E N -0.003 120.245 120.200 0.081 0.000 2.085 591 E HA -0.157 4.189 4.350 -0.007 0.000 0.194 591 E C 1.980 178.602 176.600 0.037 0.000 0.994 591 E CA 1.139 57.562 56.400 0.040 0.000 0.801 591 E CB -0.252 29.459 29.700 0.018 0.000 0.743 591 E HN 0.168 nan 8.360 nan 0.000 0.453 592 V N -0.405 119.518 119.914 0.015 0.000 2.237 592 V HA -0.350 3.766 4.120 -0.007 0.000 0.245 592 V C 2.524 178.644 176.094 0.044 0.000 1.046 592 V CA 1.877 64.186 62.300 0.015 0.000 1.007 592 V CB -0.615 31.174 31.823 -0.056 0.000 0.638 592 V HN 0.433 nan 8.190 nan 0.000 0.445 593 C N -0.241 119.048 119.300 -0.018 0.000 2.385 593 C HA -0.254 4.202 4.460 -0.007 0.000 0.275 593 C C 2.764 177.776 174.990 0.036 0.000 1.207 593 C CA 1.701 60.710 59.018 -0.015 0.000 1.760 593 C CB -1.074 26.613 27.740 -0.088 0.000 2.051 593 C HN 0.620 nan 8.230 nan 0.000 0.467 594 K N -0.097 120.334 120.400 0.051 0.000 2.001 594 K HA -0.261 4.055 4.320 -0.007 0.000 0.214 594 K C 2.150 178.821 176.600 0.118 0.000 1.050 594 K CA 1.944 58.266 56.287 0.058 0.000 0.934 594 K CB -0.572 31.962 32.500 0.057 0.000 0.718 594 K HN 0.715 nan 8.250 nan 0.000 0.443 595 H N -0.099 118.989 119.070 0.030 0.000 2.353 595 H HA -0.153 4.399 4.556 -0.007 0.000 0.298 595 H C 1.994 177.406 175.328 0.140 0.000 1.103 595 H CA 1.584 57.675 56.048 0.072 0.000 1.293 595 H CB 0.187 29.988 29.762 0.066 0.000 1.372 595 H HN 0.175 nan 8.280 nan 0.000 0.501 596 I N 0.408 121.055 120.570 0.127 0.000 2.072 596 I HA -0.231 3.935 4.170 -0.007 0.000 0.235 596 I C 2.644 178.873 176.117 0.187 0.000 1.058 596 I CA 0.834 62.221 61.300 0.145 0.000 1.320 596 I CB -1.281 36.827 38.000 0.180 0.000 1.047 596 I HN 0.156 nan 8.210 nan 0.000 0.397 597 V N 0.887 120.850 119.914 0.082 0.000 2.828 597 V HA -0.227 3.889 4.120 -0.007 0.000 0.260 597 V C 2.530 178.543 176.094 -0.135 0.000 1.101 597 V CA 1.512 63.717 62.300 -0.157 0.000 1.123 597 V CB -0.785 30.805 31.823 -0.388 0.000 0.704 597 V HN 0.363 nan 8.190 nan 0.000 0.493 598 S N -0.647 115.044 115.700 -0.015 0.000 2.311 598 S HA -0.064 4.402 4.470 -0.007 0.000 0.209 598 S C 1.117 175.715 174.600 -0.003 0.000 1.029 598 S CA 0.784 58.979 58.200 -0.009 0.000 0.968 598 S CB -0.248 62.982 63.200 0.050 0.000 0.946 598 S HN 0.579 nan 8.310 nan 0.000 0.450 599 T N 3.737 118.280 114.554 -0.018 0.000 2.642 599 T HA 0.001 4.347 4.350 -0.007 0.000 0.258 599 T C 0.878 175.509 174.700 -0.115 0.000 1.022 599 T CA 0.180 62.187 62.100 -0.156 0.000 1.266 599 T CB 0.100 68.702 68.868 -0.444 0.000 0.987 599 T HN 0.147 nan 8.240 nan 0.000 0.518 600 K N 2.629 122.980 120.400 -0.082 0.000 2.144 600 K HA -0.157 4.159 4.320 -0.007 0.000 0.209 600 K C 2.084 178.660 176.600 -0.041 0.000 1.047 600 K CA 1.140 57.418 56.287 -0.015 0.000 0.927 600 K CB -0.611 31.868 32.500 -0.034 0.000 0.716 600 K HN 0.550 nan 8.250 nan 0.000 0.454 601 V N -0.714 119.087 119.914 -0.188 0.000 2.379 601 V HA -0.211 3.905 4.120 -0.007 0.000 0.245 601 V C 1.822 177.802 176.094 -0.190 0.000 1.044 601 V CA 1.424 63.593 62.300 -0.218 0.000 1.036 601 V CB -0.759 30.862 31.823 -0.337 0.000 0.664 601 V HN 0.133 nan 8.190 nan 0.000 0.453 602 Y N -0.789 119.287 120.300 -0.373 0.000 2.224 602 Y HA -0.196 4.350 4.550 -0.007 0.000 0.289 602 Y C 2.354 178.206 175.900 -0.079 0.000 1.146 602 Y CA 0.938 58.663 58.100 -0.626 0.000 1.182 602 Y CB -0.672 37.305 38.460 -0.805 0.000 0.983 602 Y HN 0.370 nan 8.280 nan 0.000 0.524 603 W N -0.556 120.751 121.300 0.013 0.000 2.523 603 W HA -0.101 4.555 4.660 -0.007 0.000 0.278 603 W C 2.204 178.739 176.519 0.027 0.000 1.236 603 W CA 1.304 58.674 57.345 0.042 0.000 1.306 603 W CB -0.183 29.282 29.460 0.008 0.000 1.101 603 W HN -0.014 nan 8.180 nan 0.000 0.577 604 S N 0.090 115.735 115.700 -0.092 0.000 2.447 604 S HA -0.132 4.334 4.470 -0.007 0.000 0.233 604 S C 1.623 176.108 174.600 -0.192 0.000 1.006 604 S CA 1.953 60.040 58.200 -0.188 0.000 0.957 604 S CB -0.226 62.929 63.200 -0.076 0.000 0.773 604 S HN 0.232 nan 8.310 nan 0.000 0.507 605 T N 1.675 116.172 114.554 -0.094 0.000 2.770 605 T HA 0.184 4.530 4.350 -0.007 0.000 0.258 605 T C 1.671 176.337 174.700 -0.056 0.000 1.039 605 T CA 0.955 63.051 62.100 -0.007 0.000 1.143 605 T CB -0.210 68.763 68.868 0.176 0.000 0.866 605 T HN 0.334 nan 8.240 nan 0.000 0.428 606 I N 1.025 121.555 120.570 -0.066 0.000 2.493 606 I HA -0.120 4.046 4.170 -0.007 0.000 0.254 606 I C 2.648 178.541 176.117 -0.372 0.000 1.160 606 I CA 1.175 62.393 61.300 -0.136 0.000 1.445 606 I CB -0.223 37.774 38.000 -0.005 0.000 1.086 606 I HN 0.360 nan 8.210 nan 0.000 0.433 607 E N 1.060 120.847 120.200 -0.689 0.000 2.072 607 E HA -0.234 4.112 4.350 -0.007 0.000 0.191 607 E C 1.965 178.373 176.600 -0.321 0.000 0.985 607 E CA 1.156 57.137 56.400 -0.698 0.000 0.801 607 E CB -0.009 29.117 29.700 -0.956 0.000 0.750 607 E HN 0.473 nan 8.360 nan 0.000 0.452 608 N N -0.332 118.221 118.700 -0.245 0.000 2.106 608 N HA -0.138 4.598 4.740 -0.007 0.000 0.188 608 N C 1.612 177.064 175.510 -0.098 0.000 1.029 608 N CA 0.449 53.416 53.050 -0.138 0.000 0.848 608 N CB 0.078 38.504 38.487 -0.102 0.000 1.007 608 N HN 0.088 nan 8.380 nan 0.000 0.423 609 L N 1.249 122.419 121.223 -0.089 0.000 2.549 609 L HA -0.044 4.292 4.340 -0.007 0.000 0.230 609 L C 2.095 178.934 176.870 -0.052 0.000 1.162 609 L CA 0.970 55.777 54.840 -0.055 0.000 0.834 609 L CB -0.650 41.387 42.059 -0.037 0.000 0.947 609 L HN 0.379 nan 8.230 nan 0.000 0.452 610 M N -1.718 117.840 119.600 -0.071 0.000 2.419 610 M HA -0.084 4.392 4.480 -0.007 0.000 0.264 610 M C 1.030 177.311 176.300 -0.032 0.000 1.082 610 M CA 1.380 56.654 55.300 -0.044 0.000 1.119 610 M CB 0.209 32.785 32.600 -0.040 0.000 1.398 610 M HN 0.194 nan 8.290 nan 0.000 0.453 611 L N -0.101 121.097 121.223 -0.042 0.000 2.818 611 L HA 0.220 4.556 4.340 -0.007 0.000 0.243 611 L C 0.130 176.982 176.870 -0.030 0.000 1.185 611 L CA -0.446 54.374 54.840 -0.032 0.000 0.988 611 L CB -0.041 41.996 42.059 -0.037 0.000 1.292 611 L HN 0.062 nan 8.230 nan 0.000 0.519 612 D N 1.494 121.875 120.400 -0.031 0.000 2.390 612 D HA -0.094 4.542 4.640 -0.007 0.000 0.249 612 D C 1.046 177.330 176.300 -0.026 0.000 1.144 612 D CA 0.248 54.231 54.000 -0.028 0.000 0.880 612 D CB 1.366 42.149 40.800 -0.027 0.000 1.182 612 D HN 0.161 nan 8.370 nan 0.000 0.451 613 E N 3.692 123.877 120.200 -0.024 0.000 2.338 613 E HA -0.184 4.162 4.350 -0.007 0.000 0.197 613 E C 0.015 176.598 176.600 -0.028 0.000 1.007 613 E CA 0.150 56.536 56.400 -0.023 0.000 0.849 613 E CB 0.056 29.744 29.700 -0.020 0.000 0.774 613 E HN 0.460 nan 8.360 nan 0.000 0.506 614 N N -0.222 118.459 118.700 -0.032 0.000 2.497 614 N HA -0.012 4.724 4.740 -0.007 0.000 0.271 614 N C 0.919 176.396 175.510 -0.055 0.000 1.142 614 N CA -0.132 52.892 53.050 -0.044 0.000 0.965 614 N CB 1.462 39.923 38.487 -0.044 0.000 1.077 614 N HN -0.234 nan 8.380 nan 0.000 0.462 615 V N 5.434 125.307 119.914 -0.067 0.000 2.283 615 V HA -0.051 4.065 4.120 -0.007 0.000 0.243 615 V C -0.961 175.067 176.094 -0.110 0.000 1.039 615 V CA 1.370 63.625 62.300 -0.075 0.000 1.016 615 V CB -1.145 30.637 31.823 -0.067 0.000 0.650 615 V HN 0.755 nan 8.190 nan 0.000 0.449 616 P HA -0.147 nan 4.420 nan 0.000 0.216 616 P C 1.880 179.066 177.300 -0.190 0.000 1.150 616 P CA 1.454 64.359 63.100 -0.324 0.000 0.837 616 P CB -0.015 31.305 31.700 -0.634 0.000 0.786 617 L N -0.736 120.416 121.223 -0.118 0.000 1.961 617 L HA -0.239 4.097 4.340 -0.007 0.000 0.210 617 L C 2.791 179.653 176.870 -0.014 0.000 1.072 617 L CA 1.772 56.597 54.840 -0.025 0.000 0.749 617 L CB -1.180 40.864 42.059 -0.024 0.000 0.889 617 L HN -0.021 nan 8.230 nan 0.000 0.432 618 Q N 0.442 120.224 119.800 -0.030 0.000 2.152 618 Q HA -0.285 4.051 4.340 -0.007 0.000 0.206 618 Q C 2.221 178.212 176.000 -0.016 0.000 0.985 618 Q CA 2.311 58.100 55.803 -0.023 0.000 0.863 618 Q CB 0.015 28.737 28.738 -0.027 0.000 0.904 618 Q HN 0.500 nan 8.270 nan 0.000 0.422 619 R N -0.952 119.538 120.500 -0.017 0.000 2.062 619 R HA 0.060 4.396 4.340 -0.007 0.000 0.226 619 R C 2.255 178.563 176.300 0.013 0.000 1.125 619 R CA 1.600 57.697 56.100 -0.006 0.000 0.966 619 R CB -0.650 29.644 30.300 -0.009 0.000 0.861 619 R HN -0.044 nan 8.270 nan 0.000 0.433 620 S N 0.337 116.062 115.700 0.042 0.000 2.383 620 S HA -0.126 4.340 4.470 -0.007 0.000 0.229 620 S C 1.736 176.350 174.600 0.022 0.000 1.030 620 S CA 1.796 60.037 58.200 0.067 0.000 1.002 620 S CB -0.379 62.921 63.200 0.167 0.000 0.829 620 S HN 0.553 nan 8.310 nan 0.000 0.467 621 T N 2.529 117.091 114.554 0.013 0.000 2.777 621 T HA 0.057 4.403 4.350 -0.007 0.000 0.266 621 T C 1.723 176.423 174.700 0.000 0.000 1.040 621 T CA 0.885 62.985 62.100 -0.000 0.000 1.141 621 T CB -0.323 68.538 68.868 -0.010 0.000 0.868 621 T HN 0.268 nan 8.240 nan 0.000 0.444 622 L N 0.616 121.833 121.223 -0.009 0.000 2.141 622 L HA -0.031 4.305 4.340 -0.007 0.000 0.209 622 L C 2.689 179.541 176.870 -0.030 0.000 1.094 622 L CA 1.220 56.044 54.840 -0.027 0.000 0.763 622 L CB -0.489 41.553 42.059 -0.029 0.000 0.908 622 L HN 0.302 nan 8.230 nan 0.000 0.437 623 E N -0.122 120.069 120.200 -0.015 0.000 2.150 623 E HA -0.231 4.115 4.350 -0.007 0.000 0.193 623 E C 2.019 178.606 176.600 -0.022 0.000 0.985 623 E CA 0.854 57.244 56.400 -0.016 0.000 0.814 623 E CB -0.041 29.656 29.700 -0.005 0.000 0.752 623 E HN 0.266 nan 8.360 nan 0.000 0.466 624 L N 1.133 122.347 121.223 -0.015 0.000 2.005 624 L HA -0.118 4.218 4.340 -0.007 0.000 0.207 624 L C 2.024 178.898 176.870 0.007 0.000 1.072 624 L CA 1.540 56.373 54.840 -0.011 0.000 0.744 624 L CB -0.435 41.622 42.059 -0.003 0.000 0.895 624 L HN 0.054 nan 8.230 nan 0.000 0.433 625 I N -0.777 119.809 120.570 0.028 0.000 2.208 625 I HA -0.331 3.835 4.170 -0.007 0.000 0.245 625 I C 2.711 178.797 176.117 -0.051 0.000 1.097 625 I CA 1.500 62.818 61.300 0.030 0.000 1.363 625 I CB -0.766 37.226 38.000 -0.014 0.000 1.051 625 I HN 0.406 nan 8.210 nan 0.000 0.413 626 S N 1.295 116.954 115.700 -0.069 0.000 2.359 626 S HA -0.262 4.204 4.470 -0.007 0.000 0.222 626 S C 1.830 176.404 174.600 -0.043 0.000 1.038 626 S CA 2.464 60.621 58.200 -0.072 0.000 1.051 626 S CB -0.379 62.789 63.200 -0.053 0.000 0.944 626 S HN 0.433 nan 8.310 nan 0.000 0.433 627 N N 0.884 119.564 118.700 -0.034 0.000 2.069 627 N HA -0.022 4.714 4.740 -0.007 0.000 0.191 627 N C 1.870 177.349 175.510 -0.052 0.000 1.031 627 N CA 1.775 54.804 53.050 -0.035 0.000 0.852 627 N CB -0.375 38.082 38.487 -0.050 0.000 1.018 627 N HN 0.439 nan 8.380 nan 0.000 0.423 628 M N -0.657 118.912 119.600 -0.051 0.000 2.144 628 M HA -0.187 4.289 4.480 -0.007 0.000 0.260 628 M C 1.906 178.202 176.300 -0.005 0.000 1.067 628 M CA 1.301 56.568 55.300 -0.055 0.000 1.095 628 M CB -0.245 32.363 32.600 0.012 0.000 1.365 628 M HN 0.188 nan 8.290 nan 0.000 0.406 629 M N 0.103 119.705 119.600 0.004 0.000 2.346 629 M HA -0.122 4.354 4.480 -0.007 0.000 0.263 629 M C 1.858 178.189 176.300 0.051 0.000 1.064 629 M CA 1.546 56.858 55.300 0.020 0.000 1.083 629 M CB -0.341 32.242 32.600 -0.028 0.000 1.399 629 M HN 0.028 nan 8.290 nan 0.000 0.435 630 S N -1.038 114.715 115.700 0.089 0.000 2.555 630 S HA -0.023 4.443 4.470 -0.007 0.000 0.230 630 S C 0.340 175.104 174.600 0.273 0.000 0.978 630 S CA 0.557 58.852 58.200 0.159 0.000 0.934 630 S CB -0.656 62.656 63.200 0.187 0.000 0.766 630 S HN 0.592 nan 8.310 nan 0.000 0.533 631 H N -0.177 118.889 119.070 -0.007 0.000 2.355 631 H HA 0.184 4.736 4.556 -0.007 0.000 0.232 631 H C -2.099 173.226 175.328 -0.005 0.000 1.422 631 H CA -2.073 53.972 56.048 -0.005 0.000 1.261 631 H CB 0.658 30.420 29.762 -0.001 0.000 1.595 631 H HN 0.159 nan 8.280 nan 0.000 0.529 632 P HA -0.325 nan 4.420 nan 0.000 0.211 632 P C 1.651 178.978 177.300 0.046 0.000 0.948 632 P CA 1.481 64.613 63.100 0.053 0.000 1.010 632 P CB 0.136 31.845 31.700 0.014 0.000 0.737 633 L N -1.683 119.556 121.223 0.028 0.000 2.502 633 L HA -0.263 4.073 4.340 -0.007 0.000 0.224 633 L C 2.212 179.084 176.870 0.005 0.000 1.131 633 L CA 2.186 57.034 54.840 0.014 0.000 0.789 633 L CB -1.951 40.112 42.059 0.007 0.000 0.907 633 L HN 0.339 nan 8.230 nan 0.000 0.445 634 T N -3.639 110.923 114.554 0.013 0.000 3.033 634 T HA 0.051 4.397 4.350 -0.007 0.000 0.248 634 T C 1.631 176.282 174.700 -0.082 0.000 1.040 634 T CA 0.457 62.545 62.100 -0.020 0.000 1.133 634 T CB 0.240 69.112 68.868 0.006 0.000 0.895 634 T HN 0.332 nan 8.240 nan 0.000 0.465 635 I N -0.160 120.386 120.570 -0.040 0.000 4.197 635 I HA 0.440 4.606 4.170 -0.007 0.000 0.307 635 I C 2.602 178.769 176.117 0.084 0.000 1.236 635 I CA 0.587 61.848 61.300 -0.065 0.000 1.321 635 I CB -0.098 37.905 38.000 0.005 0.000 1.309 635 I HN 0.259 nan 8.210 nan 0.000 0.450 636 A N 1.602 124.513 122.820 0.151 0.000 1.900 636 A HA -0.425 3.891 4.320 -0.007 0.000 0.225 636 A C 2.358 180.096 177.584 0.257 0.000 1.414 636 A CA 2.878 55.079 52.037 0.274 0.000 0.702 636 A CB -1.568 17.530 19.000 0.163 0.000 0.845 636 A HN 0.589 nan 8.150 nan 0.000 0.478 637 A N -1.553 121.327 122.820 0.101 0.000 2.194 637 A HA -0.173 4.143 4.320 -0.007 0.000 0.220 637 A C 1.909 179.476 177.584 -0.029 0.000 1.162 637 A CA 1.912 53.971 52.037 0.038 0.000 0.674 637 A CB -0.393 18.599 19.000 -0.015 0.000 0.789 637 A HN 0.525 nan 8.150 nan 0.000 0.470 638 K N -1.819 118.539 120.400 -0.070 0.000 2.365 638 K HA 0.091 4.407 4.320 -0.007 0.000 0.197 638 K C 0.531 176.830 176.600 -0.502 0.000 1.042 638 K CA 0.878 56.992 56.287 -0.288 0.000 0.987 638 K CB -0.115 32.108 32.500 -0.463 0.000 0.779 638 K HN 0.667 nan 8.250 nan 0.000 0.484 639 F N -1.981 117.886 119.950 -0.138 0.000 2.729 639 F HA 0.177 4.700 4.527 -0.007 0.000 0.304 639 F C 0.930 176.377 175.800 -0.588 0.000 1.008 639 F CA -0.299 57.473 58.000 -0.381 0.000 1.188 639 F CB 0.357 38.929 39.000 -0.713 0.000 0.980 639 F HN -0.195 nan 8.300 nan 0.000 0.627 640 F N -0.168 119.908 119.950 0.210 0.000 2.668 640 F HA 0.260 4.783 4.527 -0.007 0.000 0.301 640 F C 1.690 177.465 175.800 -0.043 0.000 1.106 640 F CA -0.353 57.678 58.000 0.052 0.000 1.289 640 F CB -0.485 38.552 39.000 0.062 0.000 1.006 640 F HN -0.077 nan 8.300 nan 0.000 0.535 641 N N 1.346 120.073 118.700 0.046 0.000 2.083 641 N HA -0.105 4.631 4.740 -0.007 0.000 0.190 641 N C 1.450 176.931 175.510 -0.049 0.000 1.047 641 N CA 1.560 54.613 53.050 0.004 0.000 0.845 641 N CB 0.066 38.542 38.487 -0.018 0.000 1.025 641 N HN 0.337 nan 8.380 nan 0.000 0.428 642 L N -0.674 120.501 121.223 -0.081 0.000 5.081 642 L HA -0.234 4.102 4.340 -0.007 0.000 0.423 642 L C 0.687 177.516 176.870 -0.067 0.000 1.019 642 L CA 0.954 55.729 54.840 -0.109 0.000 1.223 642 L CB -1.302 40.631 42.059 -0.211 0.000 1.940 642 L HN 0.292 nan 8.230 nan 0.000 0.675 643 E N 0.741 120.913 120.200 -0.046 0.000 2.460 643 E HA 0.096 4.442 4.350 -0.007 0.000 0.200 643 E C 0.675 177.259 176.600 -0.027 0.000 1.011 643 E CA 0.138 56.519 56.400 -0.033 0.000 0.912 643 E CB 0.341 30.025 29.700 -0.027 0.000 0.953 643 E HN 0.402 nan 8.360 nan 0.000 0.494 644 N N 0.734 119.416 118.700 -0.031 0.000 2.422 644 N HA 0.126 4.862 4.740 -0.007 0.000 0.266 644 N C -2.092 173.404 175.510 -0.024 0.000 1.007 644 N CA -1.912 51.121 53.050 -0.028 0.000 0.941 644 N CB 1.603 40.069 38.487 -0.036 0.000 1.115 644 N HN -0.152 nan 8.380 nan 0.000 0.492 645 P HA -0.181 nan 4.420 nan 0.000 0.216 645 P C 1.181 178.474 177.300 -0.011 0.000 1.154 645 P CA 1.476 64.570 63.100 -0.009 0.000 0.865 645 P CB 0.394 32.090 31.700 -0.008 0.000 0.789 646 Q N -0.750 119.038 119.800 -0.020 0.000 2.050 646 Q HA -0.111 4.225 4.340 -0.007 0.000 0.202 646 Q C 2.254 178.220 176.000 -0.056 0.000 0.980 646 Q CA 1.711 57.497 55.803 -0.028 0.000 0.840 646 Q CB -1.091 27.634 28.738 -0.022 0.000 0.898 646 Q HN 0.289 nan 8.270 nan 0.000 0.424 647 S N 1.701 117.360 115.700 -0.069 0.000 2.355 647 S HA -0.088 4.378 4.470 -0.007 0.000 0.222 647 S C 1.896 176.478 174.600 -0.031 0.000 1.031 647 S CA 0.618 58.753 58.200 -0.109 0.000 0.993 647 S CB -0.382 62.763 63.200 -0.092 0.000 0.859 647 S HN 0.294 nan 8.310 nan 0.000 0.453 648 L N 2.428 123.653 121.223 0.004 0.000 2.013 648 L HA -0.154 4.182 4.340 -0.007 0.000 0.212 648 L C 2.448 179.396 176.870 0.130 0.000 1.073 648 L CA 1.862 56.749 54.840 0.078 0.000 0.753 648 L CB -0.894 41.187 42.059 0.037 0.000 0.890 648 L HN 0.322 nan 8.230 nan 0.000 0.432 649 R N 0.043 120.574 120.500 0.052 0.000 2.113 649 R HA -0.230 4.106 4.340 -0.007 0.000 0.231 649 R C 1.984 178.310 176.300 0.042 0.000 1.129 649 R CA 2.148 58.271 56.100 0.038 0.000 0.915 649 R CB -0.322 29.979 30.300 0.001 0.000 0.837 649 R HN 0.436 nan 8.270 nan 0.000 0.430 650 N N 0.151 118.843 118.700 -0.013 0.000 2.184 650 N HA -0.216 4.520 4.740 -0.007 0.000 0.190 650 N C 1.470 177.057 175.510 0.129 0.000 1.011 650 N CA 1.386 54.417 53.050 -0.031 0.000 0.867 650 N CB -0.489 37.776 38.487 -0.369 0.000 0.993 650 N HN 0.254 nan 8.380 nan 0.000 0.433 651 F N 2.201 122.144 119.950 -0.012 0.000 2.075 651 F HA -0.082 4.441 4.527 -0.007 0.000 0.297 651 F C 1.914 177.776 175.800 0.102 0.000 1.113 651 F CA 1.303 59.318 58.000 0.026 0.000 1.218 651 F CB -0.400 38.588 39.000 -0.021 0.000 0.984 651 F HN 0.008 nan 8.300 nan 0.000 0.472 652 N N 1.084 119.786 118.700 0.003 0.000 2.166 652 N HA -0.168 4.568 4.740 -0.007 0.000 0.186 652 N C 2.110 177.564 175.510 -0.093 0.000 1.019 652 N CA 1.830 54.819 53.050 -0.103 0.000 0.856 652 N CB -0.424 38.087 38.487 0.041 0.000 0.993 652 N HN 0.397 nan 8.380 nan 0.000 0.426 653 I N 0.783 121.337 120.570 -0.026 0.000 2.127 653 I HA -0.267 3.899 4.170 -0.007 0.000 0.241 653 I C 2.211 178.320 176.117 -0.013 0.000 1.075 653 I CA 0.882 62.178 61.300 -0.006 0.000 1.334 653 I CB -0.318 37.696 38.000 0.024 0.000 1.040 653 I HN 0.027 nan 8.210 nan 0.000 0.405 654 L N 0.486 121.701 121.223 -0.012 0.000 2.042 654 L HA -0.182 4.154 4.340 -0.007 0.000 0.210 654 L C 2.393 179.308 176.870 0.075 0.000 1.076 654 L CA 1.633 56.466 54.840 -0.012 0.000 0.749 654 L CB -0.495 41.474 42.059 -0.150 0.000 0.893 654 L HN 0.026 nan 8.230 nan 0.000 0.432 655 V N -1.249 118.642 119.914 -0.039 0.000 2.720 655 V HA -0.267 3.849 4.120 -0.007 0.000 0.256 655 V C 2.393 178.450 176.094 -0.062 0.000 1.082 655 V CA 1.509 63.750 62.300 -0.098 0.000 1.101 655 V CB -0.650 30.976 31.823 -0.328 0.000 0.693 655 V HN 0.425 nan 8.190 nan 0.000 0.479 656 K N -0.180 120.197 120.400 -0.038 0.000 2.166 656 K HA 0.162 4.478 4.320 -0.007 0.000 0.201 656 K C 1.839 178.438 176.600 -0.002 0.000 1.052 656 K CA 0.654 56.928 56.287 -0.021 0.000 0.969 656 K CB -0.070 32.419 32.500 -0.018 0.000 0.761 656 K HN 0.328 nan 8.250 nan 0.000 0.459 657 L N 1.459 122.688 121.223 0.009 0.000 2.633 657 L HA -0.101 4.235 4.340 -0.007 0.000 0.235 657 L C 1.919 178.807 176.870 0.031 0.000 1.163 657 L CA 0.072 54.921 54.840 0.015 0.000 0.859 657 L CB -0.386 41.680 42.059 0.011 0.000 0.973 657 L HN 0.190 nan 8.230 nan 0.000 0.451 658 L N 0.876 122.124 121.223 0.043 0.000 2.201 658 L HA -0.155 4.181 4.340 -0.007 0.000 0.212 658 L C 1.757 178.645 176.870 0.030 0.000 1.105 658 L CA 1.578 56.448 54.840 0.050 0.000 0.775 658 L CB -0.422 41.646 42.059 0.015 0.000 0.913 658 L HN 0.474 nan 8.230 nan 0.000 0.440 659 Q N -0.350 119.460 119.800 0.017 0.000 2.647 659 Q HA 0.303 4.639 4.340 -0.007 0.000 0.400 659 Q C -0.877 175.129 176.000 0.011 0.000 0.959 659 Q CA -0.260 55.553 55.803 0.016 0.000 1.079 659 Q CB 0.079 28.824 28.738 0.011 0.000 1.351 659 Q HN 0.318 nan 8.270 nan 0.000 0.411 660 L N 0.692 121.922 121.223 0.012 0.000 2.379 660 L HA 0.287 4.623 4.340 -0.007 0.000 0.269 660 L C 1.172 178.045 176.870 0.005 0.000 1.084 660 L CA -0.301 54.542 54.840 0.005 0.000 0.802 660 L CB 1.623 43.684 42.059 0.003 0.000 1.175 660 L HN 0.389 nan 8.230 nan 0.000 0.448 661 S N 0.201 115.902 115.700 0.001 0.000 2.351 661 S HA -0.201 4.265 4.470 -0.007 0.000 0.220 661 S C 0.382 174.982 174.600 -0.000 0.000 1.035 661 S CA 1.001 59.201 58.200 -0.000 0.000 1.031 661 S CB -0.342 62.855 63.200 -0.004 0.000 0.928 661 S HN 0.823 nan 8.310 nan 0.000 0.433 662 D N 1.398 121.795 120.400 -0.005 0.000 2.518 662 D HA 0.011 4.647 4.640 -0.007 0.000 0.270 662 D C 0.841 177.142 176.300 0.002 0.000 1.338 662 D CA 0.008 54.004 54.000 -0.007 0.000 0.983 662 D CB 0.419 41.210 40.800 -0.015 0.000 1.126 662 D HN -0.076 nan 8.370 nan 0.000 0.543 663 V N 3.723 123.640 119.914 0.006 0.000 2.490 663 V HA -0.201 3.915 4.120 -0.007 0.000 0.250 663 V C 2.214 178.318 176.094 0.016 0.000 1.061 663 V CA 1.639 63.947 62.300 0.014 0.000 1.064 663 V CB -0.578 31.254 31.823 0.015 0.000 0.670 663 V HN 0.680 nan 8.190 nan 0.000 0.461 664 E N 0.012 120.218 120.200 0.011 0.000 2.265 664 E HA -0.171 4.175 4.350 -0.007 0.000 0.196 664 E C 2.253 178.860 176.600 0.011 0.000 0.996 664 E CA 1.282 57.689 56.400 0.013 0.000 0.832 664 E CB 0.042 29.748 29.700 0.011 0.000 0.756 664 E HN 0.629 nan 8.360 nan 0.000 0.491 665 S N 0.305 116.010 115.700 0.007 0.000 2.388 665 S HA -0.090 4.376 4.470 -0.007 0.000 0.223 665 S C 1.751 176.359 174.600 0.013 0.000 1.034 665 S CA 0.440 58.643 58.200 0.005 0.000 0.963 665 S CB -0.035 63.165 63.200 -0.001 0.000 0.827 665 S HN 0.293 nan 8.310 nan 0.000 0.481 666 Q N 1.217 121.029 119.800 0.021 0.000 2.112 666 Q HA -0.154 4.182 4.340 -0.007 0.000 0.206 666 Q C 2.290 178.314 176.000 0.040 0.000 0.987 666 Q CA 1.305 57.129 55.803 0.036 0.000 0.858 666 Q CB -0.281 28.481 28.738 0.040 0.000 0.905 666 Q HN 0.452 nan 8.270 nan 0.000 0.420 667 R N 0.430 120.949 120.500 0.032 0.000 2.083 667 R HA -0.173 4.163 4.340 -0.007 0.000 0.237 667 R C 2.381 178.693 176.300 0.020 0.000 1.137 667 R CA 1.397 57.515 56.100 0.030 0.000 0.951 667 R CB -0.548 29.768 30.300 0.026 0.000 0.851 667 R HN 0.261 nan 8.270 nan 0.000 0.434 668 A N 0.732 123.557 122.820 0.008 0.000 1.858 668 A HA -0.123 4.193 4.320 -0.007 0.000 0.216 668 A C 2.426 179.996 177.584 -0.023 0.000 1.190 668 A CA 1.542 53.572 52.037 -0.011 0.000 0.617 668 A CB -0.698 18.291 19.000 -0.019 0.000 0.827 668 A HN 0.120 nan 8.150 nan 0.000 0.443 669 V N 0.056 119.966 119.914 -0.006 0.000 2.255 669 V HA -0.310 3.806 4.120 -0.007 0.000 0.247 669 V C 3.090 179.243 176.094 0.098 0.000 1.051 669 V CA 2.182 64.487 62.300 0.008 0.000 1.018 669 V CB -1.423 30.444 31.823 0.073 0.000 0.641 669 V HN 0.641 nan 8.190 nan 0.000 0.445 670 A N -0.016 122.872 122.820 0.113 0.000 1.892 670 A HA -0.223 4.093 4.320 -0.007 0.000 0.218 670 A C 2.462 180.086 177.584 0.067 0.000 1.188 670 A CA 2.608 54.715 52.037 0.115 0.000 0.631 670 A CB -1.021 18.017 19.000 0.063 0.000 0.822 670 A HN 0.636 nan 8.150 nan 0.000 0.447 671 A N 0.026 122.857 122.820 0.019 0.000 1.859 671 A HA -0.191 4.125 4.320 -0.007 0.000 0.217 671 A C 2.140 179.705 177.584 -0.031 0.000 1.198 671 A CA 1.780 53.811 52.037 -0.011 0.000 0.629 671 A CB -0.816 18.174 19.000 -0.016 0.000 0.830 671 A HN 0.532 nan 8.150 nan 0.000 0.446 672 I N -1.826 118.701 120.570 -0.072 0.000 2.053 672 I HA -0.324 3.842 4.170 -0.007 0.000 0.236 672 I C 2.354 178.404 176.117 -0.112 0.000 1.038 672 I CA 2.078 63.290 61.300 -0.146 0.000 1.304 672 I CB -0.622 37.192 38.000 -0.310 0.000 1.023 672 I HN 0.342 nan 8.210 nan 0.000 0.395 673 F N 0.905 120.859 119.950 0.007 0.000 2.147 673 F HA -0.307 4.216 4.527 -0.007 0.000 0.301 673 F C 2.515 178.231 175.800 -0.141 0.000 1.084 673 F CA 1.513 59.498 58.000 -0.024 0.000 1.268 673 F CB -1.078 37.908 39.000 -0.023 0.000 1.009 673 F HN 0.098 nan 8.300 nan 0.000 0.486 674 A N -0.002 122.844 122.820 0.043 0.000 1.858 674 A HA -0.215 4.101 4.320 -0.007 0.000 0.216 674 A C 2.091 179.624 177.584 -0.084 0.000 1.190 674 A CA 2.043 54.046 52.037 -0.056 0.000 0.617 674 A CB -0.962 17.998 19.000 -0.066 0.000 0.827 674 A HN 0.365 nan 8.150 nan 0.000 0.443 675 N N 0.306 118.958 118.700 -0.080 0.000 2.004 675 N HA -0.170 4.566 4.740 -0.007 0.000 0.196 675 N C 1.546 176.966 175.510 -0.151 0.000 1.064 675 N CA 2.063 55.060 53.050 -0.089 0.000 0.855 675 N CB -0.685 37.763 38.487 -0.065 0.000 1.056 675 N HN 0.535 nan 8.380 nan 0.000 0.423 676 I N -0.284 120.142 120.570 -0.241 0.000 2.229 676 I HA -0.224 3.942 4.170 -0.007 0.000 0.250 676 I C 1.978 177.900 176.117 -0.325 0.000 1.096 676 I CA 1.365 62.448 61.300 -0.361 0.000 1.358 676 I CB -1.326 36.205 38.000 -0.783 0.000 1.047 676 I HN 0.091 nan 8.210 nan 0.000 0.422 677 A N -0.188 122.463 122.820 -0.281 0.000 2.024 677 A HA -0.142 4.174 4.320 -0.007 0.000 0.220 677 A C 2.323 179.784 177.584 -0.206 0.000 1.164 677 A CA 2.433 54.337 52.037 -0.222 0.000 0.643 677 A CB -1.171 17.724 19.000 -0.175 0.000 0.806 677 A HN 0.577 nan 8.150 nan 0.000 0.451 678 T N -1.123 113.320 114.554 -0.184 0.000 2.980 678 T HA -0.028 4.318 4.350 -0.007 0.000 0.239 678 T C 2.036 176.657 174.700 -0.131 0.000 1.011 678 T CA 1.397 63.393 62.100 -0.174 0.000 1.171 678 T CB -0.558 68.239 68.868 -0.119 0.000 0.873 678 T HN 0.491 nan 8.240 nan 0.000 0.431 679 T N 2.048 116.537 114.554 -0.109 0.000 2.760 679 T HA -0.030 4.316 4.350 -0.007 0.000 0.269 679 T C 0.733 175.377 174.700 -0.093 0.000 1.047 679 T CA 1.016 63.065 62.100 -0.085 0.000 1.139 679 T CB -0.296 68.522 68.868 -0.082 0.000 0.855 679 T HN 0.341 nan 8.240 nan 0.000 0.471 680 I N 0.982 121.477 120.570 -0.125 0.000 2.583 680 I HA 0.229 4.395 4.170 -0.007 0.000 0.276 680 I C -2.156 173.887 176.117 -0.122 0.000 1.089 680 I CA -2.250 58.983 61.300 -0.112 0.000 1.103 680 I CB 2.590 40.520 38.000 -0.116 0.000 1.209 680 I HN -0.147 nan 8.210 nan 0.000 0.484 681 P HA -0.251 nan 4.420 nan 0.000 0.217 681 P C 1.846 179.090 177.300 -0.094 0.000 1.158 681 P CA 1.165 64.205 63.100 -0.100 0.000 0.887 681 P CB 0.346 32.002 31.700 -0.072 0.000 0.792 682 L N -0.906 120.273 121.223 -0.074 0.000 2.051 682 L HA -0.207 4.129 4.340 -0.007 0.000 0.214 682 L C 2.183 179.007 176.870 -0.078 0.000 1.076 682 L CA 1.864 56.667 54.840 -0.063 0.000 0.758 682 L CB -1.080 40.951 42.059 -0.045 0.000 0.890 682 L HN -0.072 nan 8.230 nan 0.000 0.433 683 I N -1.022 119.491 120.570 -0.096 0.000 2.202 683 I HA -0.269 3.897 4.170 -0.007 0.000 0.242 683 I C 2.606 178.651 176.117 -0.120 0.000 1.091 683 I CA 1.024 62.262 61.300 -0.102 0.000 1.368 683 I CB -0.693 37.204 38.000 -0.171 0.000 1.058 683 I HN 0.368 nan 8.210 nan 0.000 0.410 684 A N 0.996 123.726 122.820 -0.150 0.000 1.884 684 A HA -0.329 3.987 4.320 -0.007 0.000 0.219 684 A C 2.349 179.821 177.584 -0.187 0.000 1.197 684 A CA 2.376 54.312 52.037 -0.169 0.000 0.637 684 A CB -0.701 18.192 19.000 -0.178 0.000 0.827 684 A HN 0.336 nan 8.150 nan 0.000 0.450 685 K N -0.389 119.910 120.400 -0.168 0.000 2.074 685 K HA -0.201 4.115 4.320 -0.007 0.000 0.209 685 K C 1.952 178.413 176.600 -0.231 0.000 1.048 685 K CA 1.835 57.999 56.287 -0.204 0.000 0.926 685 K CB -0.183 32.251 32.500 -0.109 0.000 0.713 685 K HN 0.659 nan 8.250 nan 0.000 0.444 686 E N 0.219 120.330 120.200 -0.149 0.000 2.204 686 E HA -0.157 4.189 4.350 -0.007 0.000 0.194 686 E C 1.880 178.402 176.600 -0.130 0.000 0.989 686 E CA 0.806 57.132 56.400 -0.125 0.000 0.824 686 E CB 0.009 29.655 29.700 -0.090 0.000 0.756 686 E HN 0.354 nan 8.360 nan 0.000 0.477 687 L N 0.615 121.763 121.223 -0.125 0.000 2.291 687 L HA -0.111 4.225 4.340 -0.007 0.000 0.214 687 L C 2.164 178.939 176.870 -0.160 0.000 1.120 687 L CA 0.439 55.229 54.840 -0.083 0.000 0.799 687 L CB -0.288 41.738 42.059 -0.055 0.000 0.925 687 L HN 0.165 nan 8.230 nan 0.000 0.446 688 L N -0.943 120.109 121.223 -0.285 0.000 2.353 688 L HA -0.134 4.202 4.340 -0.007 0.000 0.220 688 L C 2.301 179.035 176.870 -0.226 0.000 1.133 688 L CA 0.940 55.554 54.840 -0.377 0.000 0.798 688 L CB -0.940 40.623 42.059 -0.826 0.000 0.922 688 L HN 0.211 nan 8.230 nan 0.000 0.445 689 T N -1.257 113.204 114.554 -0.155 0.000 2.978 689 T HA -0.016 4.330 4.350 -0.007 0.000 0.262 689 T C 0.740 175.435 174.700 -0.010 0.000 1.063 689 T CA 0.476 62.547 62.100 -0.047 0.000 1.140 689 T CB -0.026 68.823 68.868 -0.032 0.000 0.886 689 T HN 0.230 nan 8.240 nan 0.000 0.470 690 K N 2.239 122.636 120.400 -0.006 0.000 2.363 690 K HA 0.212 4.528 4.320 -0.007 0.000 0.289 690 K C 0.671 177.288 176.600 0.028 0.000 1.063 690 K CA -0.235 56.081 56.287 0.049 0.000 0.967 690 K CB 0.989 33.575 32.500 0.145 0.000 0.987 690 K HN -0.011 nan 8.250 nan 0.000 0.473 691 K N 1.999 122.420 120.400 0.034 0.000 1.965 691 K HA -0.215 4.101 4.320 -0.007 0.000 0.220 691 K C 1.676 178.280 176.600 0.007 0.000 1.046 691 K CA 1.534 57.834 56.287 0.022 0.000 0.974 691 K CB -0.134 32.383 32.500 0.029 0.000 0.738 691 K HN 0.590 nan 8.250 nan 0.000 0.444 692 E N 0.229 120.434 120.200 0.009 0.000 2.147 692 E HA -0.262 4.084 4.350 -0.007 0.000 0.199 692 E C 1.881 178.442 176.600 -0.065 0.000 1.005 692 E CA 1.327 57.718 56.400 -0.017 0.000 0.810 692 E CB -0.120 29.572 29.700 -0.013 0.000 0.736 692 E HN 0.148 nan 8.360 nan 0.000 0.460 693 L N 1.030 122.202 121.223 -0.085 0.000 1.970 693 L HA -0.199 4.137 4.340 -0.007 0.000 0.212 693 L C 2.073 178.826 176.870 -0.196 0.000 1.071 693 L CA 1.761 56.472 54.840 -0.215 0.000 0.751 693 L CB -0.652 41.301 42.059 -0.176 0.000 0.889 693 L HN 0.193 nan 8.230 nan 0.000 0.432 694 I N -0.310 120.193 120.570 -0.112 0.000 2.142 694 I HA -0.292 3.874 4.170 -0.007 0.000 0.240 694 I C 2.500 178.622 176.117 0.008 0.000 1.078 694 I CA 1.690 62.952 61.300 -0.063 0.000 1.343 694 I CB -0.512 37.472 38.000 -0.028 0.000 1.046 694 I HN 0.391 nan 8.210 nan 0.000 0.405 695 E N 0.890 121.097 120.200 0.012 0.000 2.097 695 E HA -0.243 4.103 4.350 -0.007 0.000 0.196 695 E C 1.883 178.507 176.600 0.041 0.000 1.000 695 E CA 1.504 57.927 56.400 0.038 0.000 0.804 695 E CB -0.305 29.410 29.700 0.025 0.000 0.740 695 E HN 0.509 nan 8.360 nan 0.000 0.454 696 N N 1.042 119.743 118.700 0.000 0.000 2.062 696 N HA -0.115 4.621 4.740 -0.007 0.000 0.191 696 N C 1.804 177.334 175.510 0.033 0.000 1.042 696 N CA 1.493 54.543 53.050 0.001 0.000 0.845 696 N CB -0.678 37.781 38.487 -0.047 0.000 1.024 696 N HN 0.171 nan 8.380 nan 0.000 0.424 697 A N 1.102 123.912 122.820 -0.018 0.000 1.948 697 A HA -0.139 4.177 4.320 -0.007 0.000 0.220 697 A C 2.301 180.055 177.584 0.284 0.000 1.177 697 A CA 1.166 53.214 52.037 0.019 0.000 0.636 697 A CB -0.811 18.064 19.000 -0.208 0.000 0.815 697 A HN 0.260 nan 8.150 nan 0.000 0.449 698 I N -0.992 119.763 120.570 0.308 0.000 2.163 698 I HA -0.261 3.905 4.170 -0.007 0.000 0.240 698 I C 2.830 179.127 176.117 0.301 0.000 1.081 698 I CA 1.627 63.169 61.300 0.403 0.000 1.353 698 I CB -0.464 37.694 38.000 0.263 0.000 1.054 698 I HN 0.524 nan 8.210 nan 0.000 0.407 699 Q N 1.399 121.303 119.800 0.173 0.000 1.927 699 Q HA -0.238 4.098 4.340 -0.007 0.000 0.210 699 Q C 2.370 178.437 176.000 0.112 0.000 1.001 699 Q CA 3.454 59.322 55.803 0.108 0.000 0.862 699 Q CB -0.654 28.125 28.738 0.068 0.000 0.934 699 Q HN 0.473 nan 8.270 nan 0.000 0.420 700 V N -0.498 119.486 119.914 0.116 0.000 2.363 700 V HA -0.264 3.852 4.120 -0.007 0.000 0.254 700 V C 2.343 178.533 176.094 0.161 0.000 1.074 700 V CA 2.399 64.766 62.300 0.110 0.000 1.069 700 V CB -1.612 30.274 31.823 0.104 0.000 0.659 700 V HN 0.435 nan 8.190 nan 0.000 0.455 701 F N 2.607 122.619 119.950 0.104 0.000 2.120 701 F HA -0.058 4.465 4.527 -0.007 0.000 0.300 701 F C 2.284 178.121 175.800 0.061 0.000 1.095 701 F CA 1.822 59.897 58.000 0.125 0.000 1.249 701 F CB -0.903 38.235 39.000 0.230 0.000 0.995 701 F HN 0.255 nan 8.300 nan 0.000 0.480 702 A N -0.548 122.134 122.820 -0.230 0.000 1.943 702 A HA -0.002 4.314 4.320 -0.007 0.000 0.213 702 A C 1.666 179.142 177.584 -0.181 0.000 1.181 702 A CA 1.199 53.024 52.037 -0.353 0.000 0.653 702 A CB -0.789 18.096 19.000 -0.192 0.000 0.833 702 A HN 0.353 nan 8.150 nan 0.000 0.451 703 D N -0.446 119.910 120.400 -0.074 0.000 2.363 703 D HA 0.036 4.672 4.640 -0.007 0.000 0.220 703 D C 0.752 177.033 176.300 -0.032 0.000 0.994 703 D CA 0.798 54.774 54.000 -0.040 0.000 0.890 703 D CB 0.148 40.944 40.800 -0.007 0.000 0.906 703 D HN 0.542 nan 8.370 nan 0.000 0.530 704 Q N -0.273 119.505 119.800 -0.037 0.000 2.074 704 Q HA 0.193 4.529 4.340 -0.007 0.000 0.265 704 Q C 1.175 177.161 176.000 -0.024 0.000 0.855 704 Q CA -0.031 55.764 55.803 -0.013 0.000 1.083 704 Q CB 0.764 29.516 28.738 0.024 0.000 1.260 704 Q HN 0.308 nan 8.270 nan 0.000 0.427 705 I N -2.295 118.217 120.570 -0.095 0.000 2.530 705 I HA -0.238 3.928 4.170 -0.007 0.000 0.257 705 I C 1.073 177.168 176.117 -0.036 0.000 1.179 705 I CA 0.842 62.072 61.300 -0.116 0.000 1.440 705 I CB -0.334 37.538 38.000 -0.214 0.000 1.087 705 I HN 0.106 nan 8.210 nan 0.000 0.440 706 D N 1.601 121.986 120.400 -0.027 0.000 2.127 706 D HA -0.202 4.434 4.640 -0.007 0.000 0.190 706 D C 0.979 177.287 176.300 0.013 0.000 1.000 706 D CA 1.402 55.398 54.000 -0.007 0.000 0.839 706 D CB -0.633 40.164 40.800 -0.006 0.000 0.955 706 D HN 0.423 nan 8.370 nan 0.000 0.446 707 D N 0.094 120.507 120.400 0.022 0.000 2.525 707 D HA -0.044 4.592 4.640 -0.007 0.000 0.235 707 D C 1.449 177.779 176.300 0.049 0.000 1.137 707 D CA 0.104 54.126 54.000 0.035 0.000 0.868 707 D CB 0.923 41.749 40.800 0.042 0.000 1.180 707 D HN 0.062 nan 8.370 nan 0.000 0.465 708 I N 2.766 123.364 120.570 0.047 0.000 2.296 708 I HA -0.155 4.011 4.170 -0.007 0.000 0.242 708 I C 2.192 178.348 176.117 0.064 0.000 1.087 708 I CA 0.298 61.631 61.300 0.055 0.000 1.393 708 I CB -0.083 37.945 38.000 0.047 0.000 1.093 708 I HN 0.451 nan 8.210 nan 0.000 0.421 709 E N 0.897 121.129 120.200 0.054 0.000 2.017 709 E HA -0.264 4.082 4.350 -0.007 0.000 0.193 709 E C 2.133 178.768 176.600 0.059 0.000 0.997 709 E CA 1.207 57.637 56.400 0.051 0.000 0.804 709 E CB -0.290 29.434 29.700 0.041 0.000 0.757 709 E HN 0.199 nan 8.360 nan 0.000 0.448 710 L N 1.530 122.792 121.223 0.065 0.000 2.089 710 L HA -0.239 4.097 4.340 -0.007 0.000 0.213 710 L C 2.343 179.291 176.870 0.129 0.000 1.079 710 L CA 1.851 56.741 54.840 0.083 0.000 0.758 710 L CB -0.396 41.712 42.059 0.081 0.000 0.891 710 L HN -0.030 nan 8.230 nan 0.000 0.433 711 R N -1.559 119.032 120.500 0.152 0.000 2.075 711 R HA -0.158 4.178 4.340 -0.007 0.000 0.226 711 R C 2.340 178.746 176.300 0.176 0.000 1.114 711 R CA 1.058 57.309 56.100 0.251 0.000 0.972 711 R CB -0.203 30.244 30.300 0.244 0.000 0.869 711 R HN 0.391 nan 8.270 nan 0.000 0.437 712 Q N 0.478 120.340 119.800 0.104 0.000 2.112 712 Q HA -0.176 4.160 4.340 -0.007 0.000 0.206 712 Q C 1.827 177.796 176.000 -0.051 0.000 0.987 712 Q CA 1.760 57.587 55.803 0.040 0.000 0.858 712 Q CB -0.030 28.737 28.738 0.048 0.000 0.905 712 Q HN 0.159 nan 8.270 nan 0.000 0.420 713 R N -0.177 120.314 120.500 -0.014 0.000 2.082 713 R HA -0.076 4.260 4.340 -0.007 0.000 0.228 713 R C 2.453 178.711 176.300 -0.071 0.000 1.140 713 R CA 1.484 57.554 56.100 -0.050 0.000 0.920 713 R CB -1.311 28.988 30.300 -0.002 0.000 0.828 713 R HN 0.366 nan 8.270 nan 0.000 0.430 714 L N 1.122 122.346 121.223 0.001 0.000 2.103 714 L HA -0.254 4.082 4.340 -0.007 0.000 0.215 714 L C 2.579 179.433 176.870 -0.027 0.000 1.080 714 L CA 1.295 56.118 54.840 -0.029 0.000 0.764 714 L CB -0.575 41.584 42.059 0.166 0.000 0.890 714 L HN 0.183 nan 8.230 nan 0.000 0.435 715 L N -1.339 119.889 121.223 0.007 0.000 2.012 715 L HA -0.283 4.053 4.340 -0.007 0.000 0.210 715 L C 2.707 179.580 176.870 0.006 0.000 1.073 715 L CA 1.472 56.336 54.840 0.041 0.000 0.748 715 L CB -0.453 41.610 42.059 0.006 0.000 0.891 715 L HN 0.337 nan 8.230 nan 0.000 0.431 716 M N -0.725 118.730 119.600 -0.241 0.000 2.082 716 M HA -0.269 4.207 4.480 -0.007 0.000 0.258 716 M C 2.372 178.634 176.300 -0.063 0.000 1.069 716 M CA 1.665 56.823 55.300 -0.237 0.000 1.102 716 M CB -0.561 31.827 32.600 -0.352 0.000 1.336 716 M HN 0.241 nan 8.290 nan 0.000 0.404 717 L N 0.511 121.628 121.223 -0.178 0.000 1.978 717 L HA -0.215 4.121 4.340 -0.007 0.000 0.218 717 L C 2.078 178.795 176.870 -0.254 0.000 1.075 717 L CA 2.154 56.821 54.840 -0.288 0.000 0.767 717 L CB -1.029 40.730 42.059 -0.500 0.000 0.890 717 L HN 0.117 nan 8.230 nan 0.000 0.434 718 F N -0.785 119.137 119.950 -0.047 0.000 2.126 718 F HA -0.232 4.291 4.527 -0.007 0.000 0.299 718 F C 2.410 178.388 175.800 0.297 0.000 1.096 718 F CA 2.007 60.060 58.000 0.088 0.000 1.255 718 F CB -1.182 37.862 39.000 0.074 0.000 0.997 718 F HN 0.237 nan 8.300 nan 0.000 0.479 719 F N 0.729 120.838 119.950 0.264 0.000 2.069 719 F HA -0.128 4.395 4.527 -0.007 0.000 0.298 719 F C 2.411 178.327 175.800 0.194 0.000 1.113 719 F CA 1.519 59.671 58.000 0.253 0.000 1.214 719 F CB -0.727 38.440 39.000 0.279 0.000 0.978 719 F HN -0.035 nan 8.300 nan 0.000 0.474 720 G N 0.968 109.613 108.800 -0.258 0.000 2.408 720 G HA2 -0.181 3.775 3.960 -0.007 0.000 0.217 720 G HA3 -0.181 3.775 3.960 -0.007 0.000 0.217 720 G C 1.626 176.391 174.900 -0.226 0.000 1.150 720 G CA 0.992 45.830 45.100 -0.436 0.000 0.776 720 G HN 0.422 nan 8.290 nan 0.000 0.542 721 L N -0.743 120.386 121.223 -0.157 0.000 1.973 721 L HA 0.032 4.368 4.340 -0.007 0.000 0.208 721 L C 2.660 179.437 176.870 -0.156 0.000 1.073 721 L CA 1.010 55.718 54.840 -0.220 0.000 0.746 721 L CB -0.531 41.321 42.059 -0.345 0.000 0.891 721 L HN 0.119 nan 8.230 nan 0.000 0.433 722 F N 0.458 120.435 119.950 0.045 0.000 2.236 722 F HA -0.261 4.262 4.527 -0.007 0.000 0.302 722 F C 2.496 178.335 175.800 0.065 0.000 1.073 722 F CA 1.515 59.568 58.000 0.089 0.000 1.336 722 F CB -0.505 38.578 39.000 0.139 0.000 1.040 722 F HN 0.165 nan 8.300 nan 0.000 0.507 723 E N 0.700 120.998 120.200 0.163 0.000 2.219 723 E HA -0.174 4.172 4.350 -0.007 0.000 0.198 723 E C 1.343 177.966 176.600 0.038 0.000 0.998 723 E CA 1.400 57.836 56.400 0.060 0.000 0.818 723 E CB -0.140 29.455 29.700 -0.175 0.000 0.741 723 E HN 0.248 nan 8.360 nan 0.000 0.477 724 V N -0.816 119.107 119.914 0.016 0.000 3.099 724 V HA 0.375 4.491 4.120 -0.007 0.000 0.356 724 V C 0.481 176.637 176.094 0.104 0.000 1.364 724 V CA -0.316 61.998 62.300 0.023 0.000 1.229 724 V CB -0.339 31.459 31.823 -0.042 0.000 1.227 724 V HN 0.042 nan 8.190 nan 0.000 0.493 725 I N 4.671 125.338 120.570 0.163 0.000 2.359 725 I HA 0.384 4.550 4.170 -0.007 0.000 0.284 725 I C -2.204 174.028 176.117 0.192 0.000 1.018 725 I CA -1.926 59.532 61.300 0.263 0.000 1.173 725 I CB 2.394 40.596 38.000 0.336 0.000 1.326 725 I HN 0.143 nan 8.210 nan 0.000 0.462 726 P HA 0.052 nan 4.420 nan 0.000 0.271 726 P C -0.407 176.937 177.300 0.072 0.000 1.220 726 P CA 0.014 63.166 63.100 0.086 0.000 0.768 726 P CB 1.296 33.029 31.700 0.055 0.000 0.848 727 D N 3.509 123.948 120.400 0.065 0.000 2.197 727 D HA -0.117 4.519 4.640 -0.007 0.000 0.212 727 D C 1.096 177.414 176.300 0.030 0.000 0.963 727 D CA 0.911 54.943 54.000 0.053 0.000 0.864 727 D CB -0.778 40.054 40.800 0.053 0.000 1.009 727 D HN 0.334 nan 8.370 nan 0.000 0.479 728 N N 1.462 120.177 118.700 0.025 0.000 2.416 728 N HA -0.044 4.692 4.740 -0.007 0.000 0.177 728 N C 2.142 177.656 175.510 0.007 0.000 1.036 728 N CA 1.051 54.110 53.050 0.015 0.000 0.901 728 N CB -1.150 37.346 38.487 0.015 0.000 0.976 728 N HN 0.292 nan 8.380 nan 0.000 0.444 729 G N 1.328 110.133 108.800 0.008 0.000 2.549 729 G HA2 -0.350 3.606 3.960 -0.007 0.000 0.222 729 G HA3 -0.350 3.606 3.960 -0.007 0.000 0.222 729 G C 1.352 176.240 174.900 -0.021 0.000 1.100 729 G CA 2.525 47.623 45.100 -0.004 0.000 0.739 729 G HN 0.636 nan 8.290 nan 0.000 0.577 730 T N -0.168 114.373 114.554 -0.021 0.000 11.097 730 T HA -0.548 3.798 4.350 -0.007 0.000 0.403 730 T C 1.895 176.564 174.700 -0.051 0.000 1.451 730 T CA 2.269 64.351 62.100 -0.030 0.000 2.349 730 T CB -1.349 67.509 68.868 -0.017 0.000 2.818 730 T HN 0.426 nan 8.240 nan 0.000 0.965 731 N N 3.112 121.787 118.700 -0.041 0.000 2.165 731 N HA -0.248 4.488 4.740 -0.007 0.000 0.175 731 N C 0.580 176.043 175.510 -0.077 0.000 0.833 731 N CA 2.600 55.623 53.050 -0.046 0.000 0.886 731 N CB -0.594 37.872 38.487 -0.035 0.000 1.015 731 N HN 1.031 nan 8.380 nan 0.000 0.938 732 E N 0.790 120.921 120.200 -0.115 0.000 2.133 732 E HA 0.366 4.712 4.350 -0.007 0.000 0.274 732 E C -0.535 175.842 176.600 -0.371 0.000 0.930 732 E CA -0.633 55.640 56.400 -0.211 0.000 0.770 732 E CB 1.428 31.014 29.700 -0.189 0.000 1.104 732 E HN 0.162 nan 8.360 nan 0.000 0.403 733 V N 1.920 121.585 119.914 -0.416 0.000 3.113 733 V HA 0.650 4.766 4.120 -0.007 0.000 0.316 733 V C -1.491 174.256 176.094 -0.578 0.000 1.125 733 V CA -0.886 61.143 62.300 -0.451 0.000 1.026 733 V CB 1.525 33.253 31.823 -0.159 0.000 1.080 733 V HN 0.570 nan 8.190 nan 0.000 0.444 734 Y N 1.182 121.502 120.300 0.033 0.000 2.349 734 Y HA 0.565 5.111 4.550 -0.007 0.000 0.324 734 Y C -2.305 173.616 175.900 0.036 0.000 1.005 734 Y CA -2.344 55.767 58.100 0.018 0.000 1.240 734 Y CB 1.627 40.081 38.460 -0.010 0.000 1.117 734 Y HN 0.420 nan 8.280 nan 0.000 0.463 735 P HA -0.200 nan 4.420 nan 0.000 0.205 735 P C 1.444 178.818 177.300 0.122 0.000 1.181 735 P CA 1.464 64.635 63.100 0.117 0.000 0.933 735 P CB 0.264 32.015 31.700 0.085 0.000 0.775 736 L N -2.167 119.115 121.223 0.099 0.000 2.288 736 L HA -0.226 4.110 4.340 -0.007 0.000 0.218 736 L C 2.224 179.159 176.870 0.108 0.000 1.088 736 L CA 1.980 56.871 54.840 0.085 0.000 0.786 736 L CB -1.843 40.249 42.059 0.054 0.000 0.889 736 L HN 0.045 nan 8.230 nan 0.000 0.441 737 L N -3.147 118.144 121.223 0.113 0.000 2.577 737 L HA 0.105 4.441 4.340 -0.007 0.000 0.225 737 L C 2.401 179.506 176.870 0.391 0.000 1.053 737 L CA 0.013 54.953 54.840 0.166 0.000 0.866 737 L CB -0.167 41.738 42.059 -0.257 0.000 1.132 737 L HN 0.097 nan 8.230 nan 0.000 0.486 738 Q N 0.711 120.692 119.800 0.300 0.000 2.050 738 Q HA -0.177 4.159 4.340 -0.007 0.000 0.202 738 Q C 1.600 177.719 176.000 0.198 0.000 0.980 738 Q CA 1.806 57.785 55.803 0.293 0.000 0.840 738 Q CB 0.281 29.137 28.738 0.197 0.000 0.898 738 Q HN 0.323 nan 8.270 nan 0.000 0.424 739 E N -0.293 119.997 120.200 0.150 0.000 3.286 739 E HA 0.144 4.490 4.350 -0.007 0.000 0.370 739 E C -0.421 176.241 176.600 0.103 0.000 0.516 739 E CA 0.322 56.784 56.400 0.104 0.000 1.885 739 E CB 0.011 29.758 29.700 0.078 0.000 2.150 739 E HN 0.266 nan 8.360 nan 0.000 0.509 740 N N 0.736 119.489 118.700 0.088 0.000 2.580 740 N HA -0.239 4.497 4.740 -0.007 0.000 0.301 740 N C -0.052 175.499 175.510 0.069 0.000 1.276 740 N CA 0.568 53.667 53.050 0.082 0.000 0.711 740 N CB -0.174 38.376 38.487 0.105 0.000 0.978 740 N HN 0.294 nan 8.380 nan 0.000 0.538 741 Q N 1.790 121.620 119.800 0.049 0.000 2.181 741 Q HA -0.248 4.088 4.340 -0.007 0.000 0.205 741 Q C 1.705 177.724 176.000 0.032 0.000 0.980 741 Q CA 1.648 57.471 55.803 0.034 0.000 0.862 741 Q CB -0.035 28.717 28.738 0.024 0.000 0.905 741 Q HN 0.698 nan 8.270 nan 0.000 0.429 742 K N 0.590 121.014 120.400 0.040 0.000 2.009 742 K HA -0.211 4.105 4.320 -0.007 0.000 0.210 742 K C 2.030 178.661 176.600 0.052 0.000 1.049 742 K CA 1.278 57.588 56.287 0.037 0.000 0.929 742 K CB -0.157 32.372 32.500 0.049 0.000 0.714 742 K HN 0.140 nan 8.250 nan 0.000 0.440 743 L N 1.857 123.128 121.223 0.081 0.000 2.027 743 L HA -0.157 4.179 4.340 -0.007 0.000 0.206 743 L C 2.279 179.179 176.870 0.049 0.000 1.074 743 L CA 1.893 56.782 54.840 0.082 0.000 0.745 743 L CB -0.716 41.389 42.059 0.076 0.000 0.898 743 L HN 0.157 nan 8.230 nan 0.000 0.433 744 K N -0.192 120.233 120.400 0.041 0.000 2.015 744 K HA -0.273 4.043 4.320 -0.007 0.000 0.216 744 K C 1.792 178.394 176.600 0.004 0.000 1.052 744 K CA 2.383 58.677 56.287 0.012 0.000 0.937 744 K CB -0.485 32.026 32.500 0.019 0.000 0.719 744 K HN 0.685 nan 8.250 nan 0.000 0.446 745 D N -0.114 120.289 120.400 0.005 0.000 2.149 745 D HA -0.098 4.538 4.640 -0.007 0.000 0.201 745 D C 1.723 178.011 176.300 -0.021 0.000 0.972 745 D CA 1.283 55.278 54.000 -0.009 0.000 0.835 745 D CB -0.409 40.384 40.800 -0.012 0.000 0.966 745 D HN 0.311 nan 8.370 nan 0.000 0.476 746 A N 0.271 123.076 122.820 -0.025 0.000 2.070 746 A HA 0.020 4.336 4.320 -0.007 0.000 0.220 746 A C 2.333 179.911 177.584 -0.010 0.000 1.159 746 A CA 0.707 52.678 52.037 -0.110 0.000 0.656 746 A CB -0.820 18.067 19.000 -0.189 0.000 0.800 746 A HN 0.319 nan 8.150 nan 0.000 0.453 747 L N -0.699 120.591 121.223 0.112 0.000 2.131 747 L HA -0.103 4.233 4.340 -0.007 0.000 0.206 747 L C 2.243 179.148 176.870 0.059 0.000 1.087 747 L CA 0.785 55.708 54.840 0.139 0.000 0.767 747 L CB -0.319 41.744 42.059 0.007 0.000 0.917 747 L HN 0.397 nan 8.230 nan 0.000 0.441 748 N N -0.424 118.285 118.700 0.014 0.000 2.250 748 N HA -0.146 4.590 4.740 -0.007 0.000 0.181 748 N C 1.834 177.341 175.510 -0.005 0.000 1.017 748 N CA 0.918 53.968 53.050 -0.001 0.000 0.866 748 N CB -0.005 38.475 38.487 -0.011 0.000 0.985 748 N HN 0.239 nan 8.380 nan 0.000 0.429 749 M N 0.977 120.563 119.600 -0.023 0.000 2.159 749 M HA -0.087 4.389 4.480 -0.007 0.000 0.263 749 M C 1.688 177.976 176.300 -0.021 0.000 1.063 749 M CA 1.102 56.379 55.300 -0.038 0.000 1.110 749 M CB -0.339 32.213 32.600 -0.079 0.000 1.374 749 M HN -0.016 nan 8.290 nan 0.000 0.411 750 S N 1.164 116.867 115.700 0.004 0.000 2.348 750 S HA -0.161 4.305 4.470 -0.007 0.000 0.221 750 S C 1.728 176.356 174.600 0.047 0.000 1.033 750 S CA 1.364 59.598 58.200 0.056 0.000 1.010 750 S CB -0.611 62.695 63.200 0.177 0.000 0.891 750 S HN 0.534 nan 8.310 nan 0.000 0.442 751 L N 1.924 123.170 121.223 0.038 0.000 2.129 751 L HA -0.061 4.275 4.340 -0.007 0.000 0.212 751 L C 0.458 177.335 176.870 0.012 0.000 1.087 751 L CA 1.576 56.429 54.840 0.022 0.000 0.757 751 L CB -0.544 41.520 42.059 0.008 0.000 0.896 751 L HN -0.046 nan 8.230 nan 0.000 0.434 752 K N 2.358 122.761 120.400 0.006 0.000 2.081 752 K HA 0.067 4.383 4.320 -0.007 0.000 0.230 752 K C 0.302 176.904 176.600 0.004 0.000 1.199 752 K CA 0.078 56.366 56.287 0.001 0.000 1.130 752 K CB -0.614 31.882 32.500 -0.006 0.000 1.386 752 K HN 0.413 nan 8.250 nan 0.000 0.280 753 R N -0.669 119.836 120.500 0.008 0.000 3.297 753 R HA -0.317 4.019 4.340 -0.007 0.000 0.658 753 R C 0.942 177.251 176.300 0.015 0.000 0.241 753 R CA 1.334 57.440 56.100 0.011 0.000 2.017 753 R CB -1.078 29.226 30.300 0.006 0.000 0.788 753 R HN 0.816 nan 8.270 nan 0.000 0.649 754 G N -0.629 108.180 108.800 0.015 0.000 2.464 754 G HA2 -0.195 3.761 3.960 -0.007 0.000 0.216 754 G HA3 -0.195 3.761 3.960 -0.007 0.000 0.216 754 G C -1.158 173.758 174.900 0.027 0.000 1.186 754 G CA 0.192 45.303 45.100 0.017 0.000 1.010 754 G HN 0.644 nan 8.290 nan 0.000 0.585 755 D N 1.514 121.934 120.400 0.033 0.000 3.139 755 D HA 0.433 5.069 4.640 -0.007 0.000 0.268 755 D C 1.351 177.691 176.300 0.065 0.000 1.322 755 D CA 0.431 54.458 54.000 0.045 0.000 0.940 755 D CB 0.636 41.462 40.800 0.043 0.000 1.050 755 D HN 0.245 nan 8.370 nan 0.000 0.503 756 S N 0.103 115.843 115.700 0.067 0.000 2.481 756 S HA 0.178 4.644 4.470 -0.007 0.000 0.231 756 S C 1.227 175.896 174.600 0.114 0.000 0.996 756 S CA 0.511 58.767 58.200 0.094 0.000 0.942 756 S CB 0.252 63.498 63.200 0.078 0.000 0.768 756 S HN 0.718 nan 8.310 nan 0.000 0.520 757 G N 1.276 110.132 108.800 0.093 0.000 2.576 757 G HA2 -0.043 3.913 3.960 -0.007 0.000 0.686 757 G HA3 -0.043 3.913 3.960 -0.007 0.000 0.686 757 G C -2.334 172.610 174.900 0.074 0.000 1.242 757 G CA -0.427 44.738 45.100 0.108 0.000 0.819 757 G HN 0.013 nan 8.290 nan 0.000 0.655 758 P HA -0.018 nan 4.420 nan 0.000 0.216 758 P C 1.048 178.332 177.300 -0.026 0.000 1.153 758 P CA 1.378 64.487 63.100 0.015 0.000 0.844 758 P CB 0.319 32.028 31.700 0.014 0.000 0.787 759 E N 0.427 120.601 120.200 -0.044 0.000 2.025 759 E HA 0.036 4.382 4.350 -0.007 0.000 0.198 759 E C 1.054 177.510 176.600 -0.241 0.000 0.955 759 E CA 0.259 56.531 56.400 -0.213 0.000 0.862 759 E CB -1.283 28.181 29.700 -0.394 0.000 0.837 759 E HN 0.193 nan 8.360 nan 0.000 0.488 760 F N 2.312 122.218 119.950 -0.073 0.000 2.431 760 F HA -0.079 4.444 4.527 -0.007 0.000 0.321 760 F C 1.289 177.058 175.800 -0.053 0.000 1.250 760 F CA 0.284 58.228 58.000 -0.093 0.000 1.099 760 F CB -0.596 38.381 39.000 -0.039 0.000 1.548 760 F HN -0.084 nan 8.300 nan 0.000 0.659 761 S N 0.077 115.780 115.700 0.005 0.000 3.325 761 S HA 0.168 4.634 4.470 -0.007 0.000 0.254 761 S C 2.106 176.690 174.600 -0.027 0.000 1.084 761 S CA 0.248 58.455 58.200 0.011 0.000 0.786 761 S CB -0.178 63.019 63.200 -0.005 0.000 0.849 761 S HN 0.449 nan 8.310 nan 0.000 0.483 762 A N 2.057 124.830 122.820 -0.078 0.000 2.024 762 A HA 0.100 4.416 4.320 -0.007 0.000 0.220 762 A C 2.183 179.718 177.584 -0.081 0.000 1.164 762 A CA 1.880 53.866 52.037 -0.085 0.000 0.643 762 A CB -0.965 17.963 19.000 -0.121 0.000 0.806 762 A HN 0.544 nan 8.150 nan 0.000 0.451 763 A N 0.457 123.217 122.820 -0.100 0.000 1.877 763 A HA -0.093 4.223 4.320 -0.007 0.000 0.216 763 A C 2.055 179.639 177.584 -0.000 0.000 1.186 763 A CA 1.428 53.430 52.037 -0.060 0.000 0.620 763 A CB -0.709 18.261 19.000 -0.050 0.000 0.822 763 A HN 0.550 nan 8.150 nan 0.000 0.443 764 I N 0.616 121.193 120.570 0.011 0.000 2.091 764 I HA -0.268 3.898 4.170 -0.007 0.000 0.240 764 I C -0.176 175.913 176.117 -0.047 0.000 1.046 764 I CA 2.196 63.493 61.300 -0.004 0.000 1.306 764 I CB -1.796 36.216 38.000 0.020 0.000 1.018 764 I HN 0.298 nan 8.210 nan 0.000 0.404 765 P HA -0.063 nan 4.420 nan 0.000 0.216 765 P C 1.995 179.260 177.300 -0.060 0.000 1.153 765 P CA 1.363 64.434 63.100 -0.048 0.000 0.844 765 P CB -0.082 31.599 31.700 -0.033 0.000 0.787 766 V N 0.512 120.400 119.914 -0.044 0.000 2.469 766 V HA -0.224 3.892 4.120 -0.007 0.000 0.251 766 V C 2.711 178.762 176.094 -0.070 0.000 1.064 766 V CA 1.589 63.872 62.300 -0.028 0.000 1.066 766 V CB -1.097 30.732 31.823 0.011 0.000 0.667 766 V HN 0.024 nan 8.190 nan 0.000 0.461 767 I N -0.752 119.737 120.570 -0.135 0.000 2.333 767 I HA -0.158 4.008 4.170 -0.007 0.000 0.246 767 I C 2.189 178.035 176.117 -0.452 0.000 1.106 767 I CA 1.288 62.361 61.300 -0.379 0.000 1.411 767 I CB -0.203 37.570 38.000 -0.380 0.000 1.082 767 I HN 0.239 nan 8.210 nan 0.000 0.420 768 L N 0.706 121.777 121.223 -0.253 0.000 2.275 768 L HA -0.085 4.251 4.340 -0.007 0.000 0.215 768 L C 2.569 179.361 176.870 -0.130 0.000 1.119 768 L CA 0.643 55.373 54.840 -0.184 0.000 0.790 768 L CB -0.592 41.404 42.059 -0.105 0.000 0.919 768 L HN 0.207 nan 8.230 nan 0.000 0.443 769 A N 0.033 122.786 122.820 -0.111 0.000 2.259 769 A HA -0.117 4.199 4.320 -0.007 0.000 0.212 769 A C 1.417 178.973 177.584 -0.047 0.000 1.178 769 A CA 1.086 53.087 52.037 -0.060 0.000 0.734 769 A CB -0.305 18.672 19.000 -0.039 0.000 0.774 769 A HN 0.394 nan 8.150 nan 0.000 0.481 770 K N -0.359 119.987 120.400 -0.089 0.000 2.826 770 K HA 0.476 4.792 4.320 -0.007 0.000 0.206 770 K C -0.940 175.663 176.600 0.004 0.000 1.116 770 K CA -0.009 56.266 56.287 -0.020 0.000 1.045 770 K CB 0.538 33.054 32.500 0.026 0.000 0.758 770 K HN 0.373 nan 8.250 nan 0.000 0.465 771 I N 0.201 120.759 120.570 -0.020 0.000 3.042 771 I HA 0.396 4.562 4.170 -0.007 0.000 0.310 771 I C -0.576 175.552 176.117 0.020 0.000 1.117 771 I CA -1.041 60.268 61.300 0.015 0.000 1.003 771 I CB 2.424 40.411 38.000 -0.022 0.000 1.228 771 I HN -0.064 nan 8.210 nan 0.000 0.443 772 K N 0.000 120.421 120.400 0.035 0.000 2.780 772 K HA 0.000 4.316 4.320 -0.007 0.000 0.191 772 K CA 0.000 56.303 56.287 0.027 0.000 0.838 772 K CB 0.000 32.519 32.500 0.032 0.000 1.064 772 K HN 0.000 nan 8.250 nan 0.000 0.543