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 3kf3_1_B DATA FIRST_RESID 27 DATA SEQUENCE LSVDTSEYNR PLIHFTPEKG WMNDPNGLFY DKTAKLWHLY FQYNPNATAW DATA SEQUENCE GQPLYWGHAT SNDLVHWDEH EIAIGPEHDN EGIFSGSIVV DHNNTSGFFN DATA SEQUENCE SSIDPNQRIV AIYTNNIPDN QTQDIAFSLD GGYTFTKYEN NPVIDVSSNQ DATA SEQUENCE FRDPKVFWHE DSNQWIMVVS KSQEYKIQIF GSANLKNWVL NSNFSSGYYG DATA SEQUENCE NQYECPGLIE VPIENSDKSK WVMFLAINPG SPLGGSINQY FVGDFDGFQF DATA SEQUENCE VPDDSQTRFV DIGKDFYAFQ TFSEVEHGVL GLAWASNWQY ADQVPTNPWR DATA SEQUENCE SSTSLARNYT LRYVHTNAET KQLTLIQNPV LPDSINVVDK LKKKNVKLTN DATA SEQUENCE KKPIKTNFKG STGLFDFNIT FKVLNLNVSP GKTHFDILIN SQELNSSVDS DATA SEQUENCE IKIGFDSSQS SFYIDRHIPN VEFPRKQFFT DKLAAYLEPL DYDQDLRVFS DATA SEQUENCE LYGIVDKNII ELYFNDGTVA MTNTFFMGEG KYPHDIQIVT DTEEPLFELE DATA SEQUENCE SVIIRELNK 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 27 L HA 0.000 nan 4.340 nan 0.000 0.249 27 L C 0.000 176.896 176.870 0.043 0.000 1.165 27 L CA 0.000 54.865 54.840 0.042 0.000 0.813 27 L CB 0.000 42.081 42.059 0.037 0.000 0.961 28 S N 1.371 117.095 115.700 0.039 0.000 2.428 28 S HA 0.182 4.651 4.470 -0.001 0.000 0.230 28 S C 1.008 175.638 174.600 0.050 0.000 1.014 28 S CA 0.830 59.054 58.200 0.041 0.000 0.957 28 S CB 0.035 63.256 63.200 0.036 0.000 0.784 28 S HN 0.272 nan 8.310 nan 0.000 0.499 29 V N 3.176 123.121 119.914 0.052 0.000 2.383 29 V HA 0.424 4.544 4.120 -0.001 0.000 0.275 29 V C -0.548 175.589 176.094 0.073 0.000 1.036 29 V CA -0.695 61.643 62.300 0.064 0.000 0.889 29 V CB 1.292 33.148 31.823 0.055 0.000 0.985 29 V HN 0.164 nan 8.190 nan 0.000 0.459 30 D N 3.330 123.784 120.400 0.090 0.000 2.505 30 D HA 0.246 4.885 4.640 -0.001 0.000 0.250 30 D C 0.953 177.317 176.300 0.106 0.000 1.164 30 D CA -0.202 53.859 54.000 0.103 0.000 0.870 30 D CB 2.312 43.164 40.800 0.087 0.000 1.160 30 D HN 0.643 nan 8.370 nan 0.000 0.549 31 T N -0.239 114.358 114.554 0.073 0.000 3.107 31 T HA 0.014 4.363 4.350 -0.001 0.000 0.249 31 T C 1.669 176.224 174.700 -0.243 0.000 1.096 31 T CA 0.205 62.213 62.100 -0.154 0.000 1.012 31 T CB 0.089 68.763 68.868 -0.323 0.000 0.977 31 T HN 0.143 nan 8.240 nan 0.000 0.527 32 S N 2.132 117.852 115.700 0.033 0.000 2.381 32 S HA -0.257 4.213 4.470 -0.001 0.000 0.230 32 S C 1.859 176.371 174.600 -0.147 0.000 1.052 32 S CA 2.001 60.157 58.200 -0.073 0.000 1.068 32 S CB -0.538 62.586 63.200 -0.127 0.000 0.918 32 S HN 0.765 nan 8.310 nan 0.000 0.448 33 E N 0.501 120.660 120.200 -0.068 0.000 2.114 33 E HA -0.221 4.128 4.350 -0.001 0.000 0.199 33 E C 1.717 178.261 176.600 -0.093 0.000 1.008 33 E CA 1.870 58.253 56.400 -0.028 0.000 0.810 33 E CB -0.189 29.591 29.700 0.133 0.000 0.739 33 E HN 0.922 nan 8.360 nan 0.000 0.456 34 Y N -3.417 116.862 120.300 -0.035 0.000 2.430 34 Y HA 0.493 5.043 4.550 -0.001 0.000 0.248 34 Y C 1.414 177.347 175.900 0.055 0.000 1.108 34 Y CA -0.220 57.889 58.100 0.014 0.000 1.264 34 Y CB 0.129 38.765 38.460 0.294 0.000 1.172 34 Y HN -0.115 nan 8.280 nan 0.000 0.520 35 N N 0.697 119.197 118.700 -0.334 0.000 2.317 35 N HA 0.096 4.836 4.740 -0.001 0.000 0.199 35 N C -0.215 175.341 175.510 0.077 0.000 1.145 35 N CA -0.023 52.929 53.050 -0.163 0.000 0.882 35 N CB 0.409 38.713 38.487 -0.305 0.000 1.113 35 N HN 0.275 nan 8.380 nan 0.000 0.486 36 R N 1.742 122.227 120.500 -0.025 0.000 2.202 36 R HA 0.363 4.703 4.340 -0.001 0.000 0.334 36 R C -2.605 173.561 176.300 -0.224 0.000 1.036 36 R CA -1.453 54.503 56.100 -0.241 0.000 0.878 36 R CB 0.716 30.617 30.300 -0.665 0.000 1.067 36 R HN -0.129 nan 8.270 nan 0.000 0.457 37 P HA -0.081 nan 4.420 nan 0.000 0.266 37 P C -0.008 177.221 177.300 -0.117 0.000 1.193 37 P CA 0.177 63.213 63.100 -0.107 0.000 0.770 37 P CB 0.571 32.233 31.700 -0.064 0.000 0.836 38 L N 2.510 123.703 121.223 -0.050 0.000 2.202 38 L HA 0.100 4.439 4.340 -0.001 0.000 0.205 38 L C 1.694 178.539 176.870 -0.043 0.000 1.083 38 L CA 1.193 55.993 54.840 -0.067 0.000 0.790 38 L CB -0.339 41.678 42.059 -0.069 0.000 0.942 38 L HN 0.425 nan 8.230 nan 0.000 0.452 39 I N -4.561 116.013 120.570 0.006 0.000 4.102 39 I HA 0.269 4.438 4.170 -0.001 0.000 0.325 39 I C -0.345 175.740 176.117 -0.054 0.000 1.471 39 I CA -0.524 60.743 61.300 -0.055 0.000 1.133 39 I CB 0.128 38.031 38.000 -0.161 0.000 1.184 39 I HN -0.026 nan 8.210 nan 0.000 0.451 40 H N 1.154 120.228 119.070 0.007 0.000 2.459 40 H HA 0.393 4.948 4.556 -0.001 0.000 0.332 40 H C -0.848 174.428 175.328 -0.085 0.000 1.094 40 H CA -0.661 55.392 56.048 0.008 0.000 1.224 40 H CB 1.274 31.017 29.762 -0.032 0.000 1.449 40 H HN 0.199 nan 8.280 nan 0.000 0.484 41 F N 2.663 122.475 119.950 -0.230 0.000 2.578 41 F HA 0.173 4.700 4.527 -0.001 0.000 0.376 41 F C -0.104 175.440 175.800 -0.426 0.000 1.085 41 F CA 0.491 58.173 58.000 -0.530 0.000 1.260 41 F CB 0.361 38.663 39.000 -1.163 0.000 1.095 41 F HN 0.389 nan 8.300 nan 0.000 0.573 42 T N 7.977 121.616 114.554 -1.525 0.000 2.893 42 T HA 0.372 4.722 4.350 -0.001 0.000 0.293 42 T C -2.716 170.905 174.700 -1.797 0.000 1.027 42 T CA -1.244 60.017 62.100 -1.399 0.000 0.988 42 T CB 1.991 70.221 68.868 -1.064 0.000 1.043 42 T HN 0.366 nan 8.240 nan 0.000 0.461 43 P HA 0.162 nan 4.420 nan 0.000 0.271 43 P C 0.674 177.750 177.300 -0.374 0.000 1.218 43 P CA -0.127 62.606 63.100 -0.612 0.000 0.780 43 P CB 1.118 32.695 31.700 -0.205 0.000 0.901 44 E N 2.626 122.701 120.200 -0.209 0.000 2.085 44 E HA -0.169 4.181 4.350 -0.001 0.000 0.194 44 E C 0.348 176.955 176.600 0.012 0.000 0.994 44 E CA 1.252 57.569 56.400 -0.138 0.000 0.801 44 E CB 0.151 29.816 29.700 -0.057 0.000 0.743 44 E HN 0.487 nan 8.360 nan 0.000 0.453 45 K N -1.589 118.892 120.400 0.135 0.000 2.527 45 K HA 0.568 4.887 4.320 -0.001 0.000 0.260 45 K C -0.089 176.710 176.600 0.332 0.000 0.937 45 K CA -0.487 55.935 56.287 0.225 0.000 0.826 45 K CB 2.249 34.850 32.500 0.167 0.000 1.359 45 K HN 0.136 nan 8.250 nan 0.000 0.434 46 G N 1.298 110.278 108.800 0.299 0.000 2.512 46 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.210 46 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.210 46 G C -1.737 173.398 174.900 0.391 0.000 1.295 46 G CA -0.316 44.967 45.100 0.304 0.000 0.934 46 G HN 0.839 nan 8.290 nan 0.000 0.554 47 W N 1.252 122.669 121.300 0.194 0.000 2.573 47 W HA 0.747 5.407 4.660 -0.001 0.000 0.326 47 W C -0.561 176.128 176.519 0.283 0.000 1.049 47 W CA -0.962 56.488 57.345 0.175 0.000 1.220 47 W CB 1.426 30.942 29.460 0.092 0.000 1.373 47 W HN 0.857 nan 8.180 nan 0.000 0.507 48 M N 7.978 127.122 119.600 -0.760 0.000 2.395 48 M HA 0.227 4.707 4.480 -0.001 0.000 0.307 48 M C -0.522 174.967 176.300 -1.353 0.000 1.091 48 M CA -0.311 54.606 55.300 -0.638 0.000 0.919 48 M CB 1.544 33.926 32.600 -0.365 0.000 1.662 48 M HN 0.644 nan 8.290 nan 0.000 0.440 49 N N 1.966 120.070 118.700 -0.992 0.000 2.297 49 N HA 0.268 5.007 4.740 -0.001 0.000 0.173 49 N C -1.143 173.799 175.510 -0.947 0.000 1.566 49 N CA -0.443 51.602 53.050 -1.674 0.000 1.092 49 N CB -0.373 37.212 38.487 -1.503 0.000 1.459 49 N HN 0.511 nan 8.380 nan 0.000 0.310 50 D N 3.208 123.295 120.400 -0.523 0.000 2.583 50 D HA 0.130 4.769 4.640 -0.001 0.000 0.232 50 D C -2.005 174.179 176.300 -0.193 0.000 1.128 50 D CA -0.244 53.629 54.000 -0.213 0.000 0.859 50 D CB -0.143 40.598 40.800 -0.097 0.000 1.169 50 D HN 0.303 nan 8.370 nan 0.000 0.481 51 P HA 0.117 nan 4.420 nan 0.000 0.271 51 P C -0.487 176.629 177.300 -0.307 0.000 1.216 51 P CA -0.328 62.643 63.100 -0.215 0.000 0.776 51 P CB 0.874 32.426 31.700 -0.245 0.000 0.881 52 N N 0.376 118.836 118.700 -0.399 0.000 2.321 52 N HA 0.388 5.128 4.740 -0.001 0.000 0.290 52 N C 0.522 175.732 175.510 -0.499 0.000 1.212 52 N CA -0.146 52.512 53.050 -0.654 0.000 0.767 52 N CB 1.300 38.895 38.487 -1.487 0.000 1.494 52 N HN 0.598 nan 8.380 nan 0.000 0.479 53 G N 0.424 108.967 108.800 -0.429 0.000 2.379 53 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.297 53 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.297 53 G C -0.194 174.876 174.900 0.283 0.000 1.004 53 G CA 0.247 45.302 45.100 -0.076 0.000 0.921 53 G HN 0.447 nan 8.290 nan 0.000 0.511 54 L N -0.302 120.971 121.223 0.083 0.000 2.477 54 L HA 0.544 4.884 4.340 -0.001 0.000 0.272 54 L C 0.696 177.853 176.870 0.478 0.000 1.157 54 L CA -0.063 54.803 54.840 0.043 0.000 0.889 54 L CB -0.031 41.577 42.059 -0.752 0.000 1.158 54 L HN 0.415 nan 8.230 nan 0.000 0.473 55 F N 3.112 123.416 119.950 0.590 0.000 2.713 55 F HA 0.483 5.009 4.527 -0.001 0.000 0.311 55 F C -1.689 174.516 175.800 0.673 0.000 1.141 55 F CA -1.329 57.024 58.000 0.587 0.000 0.939 55 F CB 1.343 40.547 39.000 0.342 0.000 1.325 55 F HN 0.175 nan 8.300 nan 0.000 0.453 56 Y N 2.476 122.899 120.300 0.205 0.000 2.328 56 Y HA 0.392 4.941 4.550 -0.001 0.000 0.337 56 Y C -0.695 175.167 175.900 -0.062 0.000 0.966 56 Y CA -0.997 56.941 58.100 -0.269 0.000 1.136 56 Y CB 0.923 39.017 38.460 -0.611 0.000 1.170 56 Y HN 0.749 nan 8.280 nan 0.000 0.470 57 D N 5.736 125.769 120.400 -0.613 0.000 2.352 57 D HA 0.109 4.749 4.640 -0.001 0.000 0.245 57 D C 0.459 176.299 176.300 -0.766 0.000 1.224 57 D CA 0.197 53.989 54.000 -0.347 0.000 0.879 57 D CB 1.067 41.813 40.800 -0.090 0.000 1.057 57 D HN 0.762 nan 8.370 nan 0.000 0.491 58 K N 1.263 121.405 120.400 -0.430 0.000 2.148 58 K HA -0.100 4.219 4.320 -0.001 0.000 0.204 58 K C 1.888 178.371 176.600 -0.196 0.000 1.050 58 K CA 1.503 57.611 56.287 -0.299 0.000 0.942 58 K CB 0.211 32.713 32.500 0.003 0.000 0.724 58 K HN 0.514 nan 8.250 nan 0.000 0.446 59 T N -1.128 113.343 114.554 -0.138 0.000 2.851 59 T HA 0.027 4.377 4.350 -0.001 0.000 0.262 59 T C 2.097 176.736 174.700 -0.101 0.000 1.043 59 T CA 0.824 62.874 62.100 -0.083 0.000 1.140 59 T CB -0.168 68.674 68.868 -0.043 0.000 0.872 59 T HN 0.117 nan 8.240 nan 0.000 0.446 60 A N 1.064 123.809 122.820 -0.125 0.000 2.167 60 A HA 0.298 4.618 4.320 -0.001 0.000 0.214 60 A C 0.980 178.456 177.584 -0.181 0.000 1.151 60 A CA 0.418 52.390 52.037 -0.108 0.000 0.735 60 A CB -0.576 18.402 19.000 -0.035 0.000 0.802 60 A HN 0.489 nan 8.150 nan 0.000 0.467 61 K N -2.251 117.950 120.400 -0.332 0.000 3.244 61 K HA -0.147 4.173 4.320 -0.001 0.000 0.270 61 K C -1.034 175.347 176.600 -0.365 0.000 1.016 61 K CA 0.611 56.680 56.287 -0.362 0.000 0.754 61 K CB -1.803 30.644 32.500 -0.088 0.000 1.326 61 K HN 0.368 nan 8.250 nan 0.000 0.465 62 L N 0.209 121.059 121.223 -0.622 0.000 2.410 62 L HA 0.552 4.892 4.340 -0.001 0.000 0.270 62 L C -1.033 175.558 176.870 -0.465 0.000 0.983 62 L CA -0.323 54.277 54.840 -0.401 0.000 0.822 62 L CB 1.074 42.969 42.059 -0.272 0.000 1.285 62 L HN 0.257 nan 8.230 nan 0.000 0.409 63 W N 3.280 124.520 121.300 -0.101 0.000 2.316 63 W HA 0.448 5.108 4.660 -0.001 0.000 0.311 63 W C -0.199 176.268 176.519 -0.087 0.000 1.217 63 W CA -0.050 57.290 57.345 -0.009 0.000 1.199 63 W CB 0.581 29.983 29.460 -0.098 0.000 1.202 63 W HN 0.455 nan 8.180 nan 0.000 0.528 64 H N 2.958 122.150 119.070 0.203 0.000 2.459 64 H HA 0.472 5.028 4.556 -0.001 0.000 0.332 64 H C -0.787 174.746 175.328 0.341 0.000 1.094 64 H CA -0.840 55.298 56.048 0.149 0.000 1.224 64 H CB 1.390 31.091 29.762 -0.102 0.000 1.449 64 H HN 0.265 nan 8.280 nan 0.000 0.484 65 L N 4.565 125.921 121.223 0.223 0.000 2.319 65 L HA 0.413 4.752 4.340 -0.001 0.000 0.281 65 L C -1.727 175.060 176.870 -0.138 0.000 1.005 65 L CA -0.507 54.325 54.840 -0.014 0.000 0.828 65 L CB 0.073 41.851 42.059 -0.469 0.000 1.227 65 L HN 0.498 nan 8.230 nan 0.000 0.415 66 Y N 4.976 125.262 120.300 -0.023 0.000 2.568 66 Y HA 0.801 5.350 4.550 -0.001 0.000 0.327 66 Y C -0.375 175.373 175.900 -0.253 0.000 1.163 66 Y CA -0.623 57.355 58.100 -0.203 0.000 1.219 66 Y CB 1.607 39.820 38.460 -0.411 0.000 1.308 66 Y HN 0.555 nan 8.280 nan 0.000 0.503 67 F N -2.063 117.713 119.950 -0.290 0.000 2.688 67 F HA 0.387 4.913 4.527 -0.001 0.000 0.308 67 F C -1.363 174.329 175.800 -0.180 0.000 1.117 67 F CA -1.586 56.232 58.000 -0.303 0.000 0.976 67 F CB 1.024 39.891 39.000 -0.222 0.000 1.291 67 F HN 0.207 nan 8.300 nan 0.000 0.439 68 Q N 2.452 122.243 119.800 -0.015 0.000 2.247 68 Q HA 0.056 4.395 4.340 -0.001 0.000 0.288 68 Q C -1.568 174.617 176.000 0.308 0.000 1.079 68 Q CA 0.663 56.528 55.803 0.103 0.000 0.932 68 Q CB 0.663 29.447 28.738 0.076 0.000 1.133 68 Q HN 0.727 nan 8.270 nan 0.000 0.377 69 Y N 3.283 123.676 120.300 0.155 0.000 2.354 69 Y HA 0.281 4.831 4.550 -0.001 0.000 0.330 69 Y C -1.176 174.885 175.900 0.268 0.000 1.011 69 Y CA -1.736 56.506 58.100 0.238 0.000 1.099 69 Y CB 1.274 39.785 38.460 0.086 0.000 1.179 69 Y HN 0.515 nan 8.280 nan 0.000 0.442 70 N N 8.294 126.996 118.700 0.003 0.000 2.564 70 N HA 0.420 5.160 4.740 -0.001 0.000 0.248 70 N C -2.416 172.836 175.510 -0.429 0.000 0.986 70 N CA -2.622 50.318 53.050 -0.182 0.000 0.921 70 N CB 1.969 40.414 38.487 -0.070 0.000 1.136 70 N HN 0.346 nan 8.380 nan 0.000 0.509 71 P HA 0.020 nan 4.420 nan 0.000 0.233 71 P C -0.011 177.207 177.300 -0.136 0.000 1.167 71 P CA 0.753 63.542 63.100 -0.518 0.000 0.770 71 P CB 0.528 31.948 31.700 -0.467 0.000 0.837 72 N N -0.492 118.149 118.700 -0.098 0.000 2.236 72 N HA 0.234 4.973 4.740 -0.001 0.000 0.196 72 N C 0.592 176.100 175.510 -0.003 0.000 1.114 72 N CA 0.260 53.291 53.050 -0.032 0.000 0.859 72 N CB 0.993 39.466 38.487 -0.023 0.000 0.982 72 N HN 0.120 nan 8.380 nan 0.000 0.493 73 A N -0.694 122.135 122.820 0.014 0.000 2.610 73 A HA 0.389 4.708 4.320 -0.001 0.000 0.291 73 A C -0.176 177.477 177.584 0.115 0.000 1.086 73 A CA -0.465 51.595 52.037 0.039 0.000 0.677 73 A CB 0.790 19.788 19.000 -0.003 0.000 1.278 73 A HN -0.085 nan 8.150 nan 0.000 0.414 74 T N 0.246 114.869 114.554 0.115 0.000 3.327 74 T HA 0.567 4.917 4.350 -0.001 0.000 0.241 74 T C 0.026 174.854 174.700 0.213 0.000 0.907 74 T CA 0.978 63.199 62.100 0.201 0.000 0.931 74 T CB -1.469 67.460 68.868 0.102 0.000 1.112 74 T HN 1.910 nan 8.240 nan 0.000 0.589 75 A N 0.329 123.173 122.820 0.040 0.000 2.610 75 A HA 0.558 4.878 4.320 -0.001 0.000 0.291 75 A C -1.442 175.690 177.584 -0.753 0.000 1.086 75 A CA -1.068 50.707 52.037 -0.438 0.000 0.677 75 A CB 0.339 19.206 19.000 -0.221 0.000 1.278 75 A HN 0.549 nan 8.150 nan 0.000 0.414 76 W N 1.023 121.504 121.300 -1.364 0.000 2.223 76 W HA 0.450 5.110 4.660 -0.000 0.000 0.334 76 W C 0.562 176.890 176.519 -0.319 0.000 1.334 76 W CA 2.332 59.188 57.345 -0.814 0.000 1.246 76 W CB 0.689 29.894 29.460 -0.426 0.000 1.184 76 W HN 1.194 nan 8.180 nan 0.000 0.563 77 G N 4.060 112.428 108.800 -0.720 0.000 2.667 77 G HA2 0.282 4.242 3.960 -0.001 0.000 0.294 77 G HA3 0.282 4.242 3.960 -0.001 0.000 0.294 77 G C -2.022 172.447 174.900 -0.719 0.000 1.467 77 G CA -0.987 43.811 45.100 -0.503 0.000 0.852 77 G HN 0.390 nan 8.290 nan 0.000 0.521 78 Q N 1.093 120.628 119.800 -0.441 0.000 2.347 78 Q HA 0.402 4.741 4.340 -0.001 0.000 0.262 78 Q C -2.279 173.619 176.000 -0.171 0.000 0.980 78 Q CA -1.670 53.942 55.803 -0.317 0.000 0.867 78 Q CB 2.477 31.122 28.738 -0.154 0.000 1.242 78 Q HN 0.301 nan 8.270 nan 0.000 0.453 79 P HA 0.162 nan 4.420 nan 0.000 0.286 79 P C -1.219 175.764 177.300 -0.529 0.000 1.321 79 P CA -0.466 62.432 63.100 -0.336 0.000 0.790 79 P CB 0.528 32.119 31.700 -0.181 0.000 0.897 80 L N 5.561 126.471 121.223 -0.521 0.000 2.317 80 L HA 0.498 4.837 4.340 -0.001 0.000 0.281 80 L C -1.028 175.607 176.870 -0.392 0.000 1.024 80 L CA -0.631 53.989 54.840 -0.367 0.000 0.810 80 L CB 0.653 42.585 42.059 -0.211 0.000 1.240 80 L HN 0.220 nan 8.230 nan 0.000 0.427 81 Y N 1.977 122.301 120.300 0.041 0.000 2.598 81 Y HA 0.428 4.977 4.550 -0.001 0.000 0.340 81 Y C -1.027 175.014 175.900 0.235 0.000 1.038 81 Y CA -0.444 57.716 58.100 0.100 0.000 1.100 81 Y CB 1.162 39.677 38.460 0.092 0.000 1.281 81 Y HN 0.470 nan 8.280 nan 0.000 0.488 82 W N 2.080 123.398 121.300 0.030 0.000 2.387 82 W HA 0.524 5.183 4.660 -0.001 0.000 0.310 82 W C 0.546 176.973 176.519 -0.154 0.000 1.181 82 W CA -1.043 56.241 57.345 -0.101 0.000 1.333 82 W CB 0.587 29.928 29.460 -0.199 0.000 1.286 82 W HN 0.616 nan 8.180 nan 0.000 0.455 83 G N 1.774 110.299 108.800 -0.458 0.000 2.616 83 G HA2 0.304 4.264 3.960 -0.001 0.000 0.268 83 G HA3 0.304 4.264 3.960 -0.001 0.000 0.268 83 G C -1.315 173.100 174.900 -0.809 0.000 1.213 83 G CA -0.343 44.130 45.100 -1.046 0.000 0.926 83 G HN 0.603 nan 8.290 nan 0.000 0.523 84 H N -1.121 117.613 119.070 -0.559 0.000 3.026 84 H HA 0.528 5.083 4.556 -0.001 0.000 0.352 84 H C -1.068 174.193 175.328 -0.113 0.000 1.090 84 H CA -0.535 55.324 56.048 -0.315 0.000 1.268 84 H CB 1.693 31.356 29.762 -0.165 0.000 1.816 84 H HN 0.799 nan 8.280 nan 0.000 0.518 85 A N 3.099 125.707 122.820 -0.352 0.000 2.498 85 A HA 0.636 4.955 4.320 -0.001 0.000 0.298 85 A C -0.612 176.837 177.584 -0.225 0.000 1.075 85 A CA -0.417 51.366 52.037 -0.423 0.000 0.714 85 A CB 1.850 20.392 19.000 -0.764 0.000 1.299 85 A HN 0.660 nan 8.150 nan 0.000 0.407 86 T N -1.496 113.023 114.554 -0.058 0.000 2.916 86 T HA 0.823 5.173 4.350 -0.001 0.000 0.292 86 T C -0.331 174.359 174.700 -0.018 0.000 1.055 86 T CA -0.547 61.544 62.100 -0.014 0.000 1.009 86 T CB 1.662 70.461 68.868 -0.116 0.000 1.118 86 T HN 1.504 nan 8.240 nan 0.000 0.497 87 S N 0.400 115.964 115.700 -0.227 0.000 2.536 87 S HA 0.408 4.878 4.470 -0.001 0.000 0.271 87 S C 0.176 174.691 174.600 -0.141 0.000 1.134 87 S CA -0.688 57.230 58.200 -0.471 0.000 0.897 87 S CB 1.319 63.636 63.200 -1.472 0.000 1.094 87 S HN 0.913 nan 8.310 nan 0.000 0.473 88 N N 2.221 120.861 118.700 -0.100 0.000 2.336 88 N HA 0.070 4.809 4.740 -0.001 0.000 0.189 88 N C 0.156 175.741 175.510 0.125 0.000 1.113 88 N CA 0.833 53.909 53.050 0.044 0.000 0.858 88 N CB -0.003 38.476 38.487 -0.013 0.000 0.970 88 N HN 0.715 nan 8.380 nan 0.000 0.471 89 D N -1.061 119.311 120.400 -0.047 0.000 2.480 89 D HA 0.109 4.749 4.640 -0.001 0.000 0.276 89 D C 0.692 176.758 176.300 -0.391 0.000 1.294 89 D CA -0.375 53.547 54.000 -0.130 0.000 0.829 89 D CB -0.341 40.421 40.800 -0.063 0.000 1.242 89 D HN 0.078 nan 8.370 nan 0.000 0.513 90 L N -0.273 120.559 121.223 -0.652 0.000 4.937 90 L HA -0.268 4.071 4.340 -0.001 0.000 0.422 90 L C 1.096 177.669 176.870 -0.495 0.000 1.059 90 L CA 0.975 55.376 54.840 -0.731 0.000 1.111 90 L CB -1.658 39.953 42.059 -0.747 0.000 2.033 90 L HN 0.309 nan 8.230 nan 0.000 0.708 91 V N -6.243 113.321 119.914 -0.582 0.000 3.350 91 V HA 0.217 4.336 4.120 -0.001 0.000 0.246 91 V C 0.900 176.633 176.094 -0.601 0.000 1.363 91 V CA 0.242 62.258 62.300 -0.474 0.000 1.162 91 V CB 0.233 31.776 31.823 -0.467 0.000 0.947 91 V HN 0.376 nan 8.190 nan 0.000 0.454 92 H N 0.149 118.944 119.070 -0.458 0.000 2.640 92 H HA 0.566 5.122 4.556 -0.001 0.000 0.297 92 H C -1.415 173.643 175.328 -0.449 0.000 1.073 92 H CA -0.205 55.656 56.048 -0.311 0.000 1.305 92 H CB 0.458 30.092 29.762 -0.214 0.000 1.404 92 H HN 0.482 nan 8.280 nan 0.000 0.459 93 W N 2.434 123.762 121.300 0.048 0.000 2.573 93 W HA 0.315 4.975 4.660 -0.001 0.000 0.326 93 W C -0.547 175.951 176.519 -0.034 0.000 1.049 93 W CA -0.716 56.631 57.345 0.003 0.000 1.220 93 W CB 1.312 30.831 29.460 0.099 0.000 1.373 93 W HN 0.470 nan 8.180 nan 0.000 0.507 94 D N 2.488 122.944 120.400 0.093 0.000 2.414 94 D HA 0.063 4.702 4.640 -0.001 0.000 0.232 94 D C -0.672 175.387 176.300 -0.403 0.000 1.070 94 D CA -0.509 53.423 54.000 -0.114 0.000 0.839 94 D CB 1.558 42.278 40.800 -0.132 0.000 1.079 94 D HN 0.452 nan 8.370 nan 0.000 0.521 95 E N 2.620 122.684 120.200 -0.228 0.000 2.316 95 E HA 0.073 4.423 4.350 -0.001 0.000 0.275 95 E C -0.291 176.091 176.600 -0.363 0.000 1.029 95 E CA -0.318 55.956 56.400 -0.210 0.000 0.871 95 E CB 0.608 30.350 29.700 0.071 0.000 1.022 95 E HN 0.410 nan 8.360 nan 0.000 0.418 96 H N 2.220 121.291 119.070 0.002 0.000 2.748 96 H HA 0.259 4.814 4.556 -0.001 0.000 0.315 96 H C -0.066 175.321 175.328 0.097 0.000 1.429 96 H CA -0.802 55.283 56.048 0.061 0.000 1.444 96 H CB 0.614 30.421 29.762 0.074 0.000 1.827 96 H HN 0.537 nan 8.280 nan 0.000 0.754 97 E N 0.760 121.136 120.200 0.293 0.000 2.422 97 E HA 0.061 4.410 4.350 -0.001 0.000 0.260 97 E C 0.485 177.215 176.600 0.217 0.000 1.108 97 E CA -0.154 56.369 56.400 0.205 0.000 0.943 97 E CB 0.914 30.720 29.700 0.176 0.000 0.961 97 E HN 0.333 nan 8.360 nan 0.000 0.443 98 I N 1.497 122.155 120.570 0.146 0.000 2.919 98 I HA -0.224 3.945 4.170 -0.001 0.000 0.303 98 I C 1.376 177.616 176.117 0.203 0.000 1.221 98 I CA 0.556 61.941 61.300 0.142 0.000 1.444 98 I CB 0.528 38.552 38.000 0.040 0.000 1.331 98 I HN 0.581 nan 8.210 nan 0.000 0.572 99 A N 7.504 130.471 122.820 0.246 0.000 1.924 99 A HA 0.358 4.678 4.320 -0.001 0.000 0.211 99 A C 0.776 178.442 177.584 0.136 0.000 1.198 99 A CA 0.808 53.021 52.037 0.294 0.000 0.657 99 A CB 0.108 19.361 19.000 0.423 0.000 0.852 99 A HN 0.610 nan 8.150 nan 0.000 0.454 100 I N -1.477 119.098 120.570 0.008 0.000 2.722 100 I HA 0.603 4.773 4.170 -0.001 0.000 0.295 100 I C -0.025 176.065 176.117 -0.046 0.000 1.161 100 I CA -0.747 60.421 61.300 -0.219 0.000 1.032 100 I CB 2.367 39.890 38.000 -0.796 0.000 1.244 100 I HN 0.157 nan 8.210 nan 0.000 0.421 101 G N 4.035 112.801 108.800 -0.056 0.000 2.605 101 G HA2 0.807 4.767 3.960 -0.001 0.000 0.296 101 G HA3 0.807 4.767 3.960 -0.001 0.000 0.296 101 G C -3.159 171.622 174.900 -0.197 0.000 1.304 101 G CA -1.433 43.676 45.100 0.016 0.000 0.941 101 G HN 0.293 nan 8.290 nan 0.000 0.475 102 P HA 0.267 nan 4.420 nan 0.000 0.276 102 P C 0.234 177.405 177.300 -0.215 0.000 1.261 102 P CA -0.279 62.674 63.100 -0.245 0.000 0.800 102 P CB 2.056 33.596 31.700 -0.266 0.000 1.066 103 E N -0.542 119.509 120.200 -0.247 0.000 2.152 103 E HA -0.097 4.253 4.350 -0.001 0.000 0.192 103 E C -0.037 176.165 176.600 -0.663 0.000 0.983 103 E CA 1.063 57.195 56.400 -0.447 0.000 0.818 103 E CB -0.078 29.307 29.700 -0.526 0.000 0.758 103 E HN 0.618 nan 8.360 nan 0.000 0.467 104 H N -1.397 117.630 119.070 -0.072 0.000 2.865 104 H HA 0.137 4.693 4.556 -0.001 0.000 0.372 104 H C -0.215 175.066 175.328 -0.078 0.000 1.173 104 H CA -0.819 55.194 56.048 -0.059 0.000 1.147 104 H CB 1.339 31.072 29.762 -0.050 0.000 1.805 104 H HN -0.181 nan 8.280 nan 0.000 0.553 105 D N -0.100 120.342 120.400 0.070 0.000 2.309 105 D HA -0.125 4.515 4.640 -0.001 0.000 0.212 105 D C 0.944 177.238 176.300 -0.010 0.000 0.968 105 D CA 0.902 54.904 54.000 0.003 0.000 0.882 105 D CB -0.073 40.737 40.800 0.016 0.000 0.918 105 D HN 0.531 nan 8.370 nan 0.000 0.503 106 N N -0.139 118.576 118.700 0.024 0.000 2.520 106 N HA -0.061 4.679 4.740 -0.001 0.000 0.185 106 N C 0.166 175.672 175.510 -0.007 0.000 1.068 106 N CA 0.495 53.548 53.050 0.006 0.000 0.911 106 N CB 0.444 38.928 38.487 -0.005 0.000 0.961 106 N HN 0.312 nan 8.380 nan 0.000 0.446 107 E N -1.544 118.639 120.200 -0.029 0.000 2.404 107 E HA 0.644 4.994 4.350 -0.001 0.000 0.264 107 E C -0.668 175.868 176.600 -0.108 0.000 0.946 107 E CA -1.076 55.287 56.400 -0.061 0.000 0.806 107 E CB 2.145 31.821 29.700 -0.039 0.000 1.334 107 E HN 0.035 nan 8.360 nan 0.000 0.429 108 G N 0.410 109.146 108.800 -0.107 0.000 2.742 108 G HA2 0.432 4.391 3.960 -0.001 0.000 0.296 108 G HA3 0.432 4.391 3.960 -0.001 0.000 0.296 108 G C -1.236 173.683 174.900 0.031 0.000 1.436 108 G CA -0.640 44.449 45.100 -0.018 0.000 0.928 108 G HN 0.246 nan 8.290 nan 0.000 0.520 109 I N 2.825 123.418 120.570 0.039 0.000 2.278 109 I HA 0.305 4.475 4.170 -0.001 0.000 0.296 109 I C -0.037 176.348 176.117 0.446 0.000 1.121 109 I CA -0.780 60.543 61.300 0.037 0.000 1.267 109 I CB -0.541 37.229 38.000 -0.384 0.000 1.447 109 I HN 0.164 nan 8.210 nan 0.000 0.509 110 F N 3.191 123.264 119.950 0.206 0.000 2.239 110 F HA 0.226 4.753 4.527 -0.001 0.000 0.288 110 F C 1.663 177.704 175.800 0.401 0.000 1.225 110 F CA -0.571 57.598 58.000 0.282 0.000 1.162 110 F CB 0.145 39.270 39.000 0.209 0.000 1.484 110 F HN 0.277 nan 8.300 nan 0.000 0.512 111 S N -0.778 115.179 115.700 0.429 0.000 2.589 111 S HA 0.549 5.019 4.470 -0.001 0.000 0.265 111 S C 0.349 175.167 174.600 0.363 0.000 1.342 111 S CA 0.310 58.679 58.200 0.281 0.000 1.005 111 S CB 0.708 63.968 63.200 0.101 0.000 0.909 111 S HN 0.960 nan 8.310 nan 0.000 0.555 112 G N 0.164 109.143 108.800 0.299 0.000 2.340 112 G HA2 0.521 4.480 3.960 -0.001 0.000 0.299 112 G HA3 0.521 4.480 3.960 -0.001 0.000 0.299 112 G C -1.218 173.817 174.900 0.225 0.000 1.291 112 G CA -0.130 45.184 45.100 0.358 0.000 0.841 112 G HN 1.030 nan 8.290 nan 0.000 0.500 113 S N -1.604 114.255 115.700 0.264 0.000 2.732 113 S HA 0.871 5.341 4.470 -0.001 0.000 0.293 113 S C -1.001 173.711 174.600 0.186 0.000 1.159 113 S CA -0.844 57.450 58.200 0.157 0.000 0.847 113 S CB 1.999 65.264 63.200 0.109 0.000 1.169 113 S HN 0.829 nan 8.310 nan 0.000 0.501 114 I N 1.070 121.713 120.570 0.122 0.000 2.647 114 I HA 0.627 4.797 4.170 -0.001 0.000 0.295 114 I C -0.962 175.181 176.117 0.043 0.000 1.078 114 I CA -1.067 60.247 61.300 0.022 0.000 1.048 114 I CB 2.253 40.190 38.000 -0.104 0.000 1.239 114 I HN 0.770 nan 8.210 nan 0.000 0.421 115 V N 3.424 123.322 119.914 -0.027 0.000 3.001 115 V HA 0.649 4.768 4.120 -0.001 0.000 0.314 115 V C -0.797 175.252 176.094 -0.074 0.000 1.099 115 V CA -0.729 61.605 62.300 0.056 0.000 0.989 115 V CB 1.977 33.861 31.823 0.102 0.000 1.040 115 V HN 0.352 nan 8.190 nan 0.000 0.434 116 V N 2.060 121.980 119.914 0.011 0.000 2.328 116 V HA 0.369 4.488 4.120 -0.001 0.000 0.278 116 V C -0.310 175.719 176.094 -0.108 0.000 1.021 116 V CA 0.063 62.240 62.300 -0.204 0.000 0.838 116 V CB 1.033 32.657 31.823 -0.331 0.000 0.999 116 V HN 1.047 nan 8.190 nan 0.000 0.447 117 D N 3.396 123.731 120.400 -0.110 0.000 2.563 117 D HA 0.131 4.770 4.640 -0.001 0.000 0.222 117 D C 1.391 177.642 176.300 -0.081 0.000 1.145 117 D CA -0.045 54.035 54.000 0.133 0.000 1.001 117 D CB 0.148 41.092 40.800 0.241 0.000 1.049 117 D HN 0.582 nan 8.370 nan 0.000 0.515 118 H N 1.674 120.710 119.070 -0.057 0.000 2.353 118 H HA -0.130 4.425 4.556 -0.001 0.000 0.298 118 H C 0.631 175.893 175.328 -0.109 0.000 1.103 118 H CA 1.207 57.185 56.048 -0.117 0.000 1.293 118 H CB 0.176 29.859 29.762 -0.131 0.000 1.372 118 H HN 0.382 nan 8.280 nan 0.000 0.501 119 N N 0.642 119.342 118.700 -0.001 0.000 2.276 119 N HA -0.040 4.699 4.740 -0.001 0.000 0.212 119 N C 0.009 175.519 175.510 0.001 0.000 1.127 119 N CA -0.030 52.998 53.050 -0.037 0.000 0.834 119 N CB 0.061 38.476 38.487 -0.119 0.000 1.014 119 N HN 0.207 nan 8.380 nan 0.000 0.491 120 N N -0.017 118.721 118.700 0.063 0.000 2.727 120 N HA -0.217 4.523 4.740 -0.001 0.000 0.249 120 N C 0.785 176.319 175.510 0.040 0.000 1.048 120 N CA 1.000 54.125 53.050 0.125 0.000 0.714 120 N CB -1.337 37.215 38.487 0.109 0.000 0.959 120 N HN 0.462 nan 8.380 nan 0.000 0.544 121 T N -4.486 110.110 114.554 0.070 0.000 2.849 121 T HA -0.204 4.145 4.350 -0.001 0.000 0.270 121 T C 1.866 176.544 174.700 -0.036 0.000 1.066 121 T CA 1.771 63.911 62.100 0.066 0.000 1.130 121 T CB -0.576 68.432 68.868 0.233 0.000 0.864 121 T HN 0.478 nan 8.240 nan 0.000 0.481 122 S N 0.755 116.389 115.700 -0.111 0.000 2.461 122 S HA 0.342 4.812 4.470 -0.001 0.000 0.228 122 S C 2.106 176.235 174.600 -0.785 0.000 1.005 122 S CA 0.618 58.525 58.200 -0.488 0.000 0.942 122 S CB -0.909 61.982 63.200 -0.515 0.000 0.776 122 S HN 1.409 nan 8.310 nan 0.000 0.514 123 G N 0.402 108.920 108.800 -0.469 0.000 2.148 123 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.254 123 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.254 123 G C 0.248 174.835 174.900 -0.521 0.000 0.981 123 G CA 0.411 45.261 45.100 -0.417 0.000 0.670 123 G HN 0.523 nan 8.290 nan 0.000 0.528 124 F N -0.329 119.237 119.950 -0.640 0.000 2.664 124 F HA 0.433 4.960 4.527 -0.001 0.000 0.296 124 F C 1.186 176.354 175.800 -1.053 0.000 1.125 124 F CA -0.372 56.919 58.000 -1.183 0.000 1.444 124 F CB -0.048 37.781 39.000 -1.952 0.000 1.114 124 F HN 0.167 nan 8.300 nan 0.000 0.576 125 F N -0.037 119.862 119.950 -0.086 0.000 2.482 125 F HA 0.374 4.901 4.527 -0.001 0.000 0.331 125 F C 0.504 176.276 175.800 -0.047 0.000 1.115 125 F CA -1.310 56.657 58.000 -0.055 0.000 0.955 125 F CB 0.628 39.606 39.000 -0.037 0.000 1.136 125 F HN -0.328 nan 8.300 nan 0.000 0.452 126 N N 0.073 118.863 118.700 0.149 0.000 2.347 126 N HA 0.024 4.763 4.740 -0.001 0.000 0.253 126 N C 1.169 176.723 175.510 0.074 0.000 1.274 126 N CA -0.107 52.990 53.050 0.079 0.000 0.941 126 N CB 0.972 39.494 38.487 0.058 0.000 1.200 126 N HN 0.618 nan 8.380 nan 0.000 0.514 127 S N -0.540 115.185 115.700 0.041 0.000 2.469 127 S HA -0.118 4.351 4.470 -0.001 0.000 0.238 127 S C 1.760 176.376 174.600 0.027 0.000 0.998 127 S CA 1.298 59.514 58.200 0.028 0.000 0.957 127 S CB -0.192 63.018 63.200 0.016 0.000 0.764 127 S HN 0.524 nan 8.310 nan 0.000 0.514 128 S N 0.274 115.996 115.700 0.036 0.000 2.481 128 S HA 0.178 4.647 4.470 -0.001 0.000 0.231 128 S C 0.470 175.093 174.600 0.037 0.000 0.996 128 S CA 0.118 58.338 58.200 0.034 0.000 0.942 128 S CB -0.264 62.959 63.200 0.038 0.000 0.768 128 S HN 0.455 nan 8.310 nan 0.000 0.520 129 I N 2.774 123.374 120.570 0.050 0.000 2.339 129 I HA 0.305 4.475 4.170 -0.001 0.000 0.290 129 I C 0.101 176.201 176.117 -0.029 0.000 0.994 129 I CA -1.015 60.302 61.300 0.028 0.000 1.191 129 I CB 0.902 38.958 38.000 0.094 0.000 1.343 129 I HN 0.136 nan 8.210 nan 0.000 0.458 130 D N 8.869 129.244 120.400 -0.041 0.000 2.533 130 D HA -0.011 4.628 4.640 -0.001 0.000 0.236 130 D C -1.596 174.645 176.300 -0.099 0.000 1.137 130 D CA -0.899 53.072 54.000 -0.049 0.000 0.867 130 D CB 1.815 42.593 40.800 -0.036 0.000 1.170 130 D HN 0.221 nan 8.370 nan 0.000 0.474 131 P HA -0.179 nan 4.420 nan 0.000 0.217 131 P C 0.686 177.903 177.300 -0.138 0.000 1.158 131 P CA 1.542 64.610 63.100 -0.054 0.000 0.887 131 P CB -0.040 31.702 31.700 0.069 0.000 0.792 132 N N -1.057 117.618 118.700 -0.043 0.000 2.362 132 N HA -0.035 4.704 4.740 -0.001 0.000 0.204 132 N C 0.733 176.161 175.510 -0.137 0.000 1.166 132 N CA 0.206 53.196 53.050 -0.100 0.000 0.831 132 N CB -0.145 38.412 38.487 0.117 0.000 1.008 132 N HN 0.381 nan 8.380 nan 0.000 0.472 133 Q N 0.463 120.149 119.800 -0.189 0.000 2.155 133 Q HA 0.207 4.546 4.340 -0.001 0.000 0.220 133 Q C -0.234 175.549 176.000 -0.362 0.000 0.819 133 Q CA -0.228 55.471 55.803 -0.172 0.000 1.032 133 Q CB 0.677 29.370 28.738 -0.075 0.000 1.151 133 Q HN 0.237 nan 8.270 nan 0.000 0.487 134 R N 1.291 121.422 120.500 -0.615 0.000 3.710 134 R HA 0.234 4.573 4.340 -0.001 0.000 0.201 134 R C -0.540 175.230 176.300 -0.884 0.000 1.641 134 R CA 0.024 55.339 56.100 -1.309 0.000 1.390 134 R CB -0.295 29.146 30.300 -1.431 0.000 1.341 134 R HN 0.108 nan 8.270 nan 0.000 0.728 135 I N 1.719 122.030 120.570 -0.432 0.000 2.352 135 I HA 0.102 4.271 4.170 -0.001 0.000 0.290 135 I C -0.093 176.103 176.117 0.132 0.000 1.036 135 I CA -0.371 60.788 61.300 -0.235 0.000 1.336 135 I CB 1.394 39.188 38.000 -0.342 0.000 1.407 135 I HN 0.030 nan 8.210 nan 0.000 0.497 136 V N 6.510 126.474 119.914 0.084 0.000 2.444 136 V HA 0.592 4.711 4.120 -0.001 0.000 0.294 136 V C 0.254 176.384 176.094 0.059 0.000 1.022 136 V CA -0.691 61.716 62.300 0.178 0.000 0.850 136 V CB 1.555 33.467 31.823 0.149 0.000 0.992 136 V HN 0.810 nan 8.190 nan 0.000 0.426 137 A N 6.047 128.908 122.820 0.068 0.000 2.309 137 A HA 0.871 5.190 4.320 -0.001 0.000 0.298 137 A C -0.709 176.842 177.584 -0.056 0.000 1.165 137 A CA -0.243 51.719 52.037 -0.125 0.000 0.821 137 A CB 0.272 18.878 19.000 -0.656 0.000 1.102 137 A HN 0.722 nan 8.150 nan 0.000 0.500 138 I N 2.926 123.484 120.570 -0.021 0.000 2.410 138 I HA 0.497 4.666 4.170 -0.001 0.000 0.286 138 I C -0.599 175.504 176.117 -0.024 0.000 1.009 138 I CA -0.203 61.035 61.300 -0.104 0.000 1.111 138 I CB 1.186 39.116 38.000 -0.117 0.000 1.262 138 I HN 0.671 nan 8.210 nan 0.000 0.443 139 Y N 1.622 121.798 120.300 -0.207 0.000 2.615 139 Y HA 0.763 5.312 4.550 -0.001 0.000 0.341 139 Y C -0.546 175.269 175.900 -0.142 0.000 1.089 139 Y CA -1.320 56.701 58.100 -0.132 0.000 1.049 139 Y CB 0.864 39.112 38.460 -0.353 0.000 1.296 139 Y HN 0.284 nan 8.280 nan 0.000 0.470 140 T N 2.718 117.336 114.554 0.107 0.000 2.749 140 T HA 0.172 4.522 4.350 -0.001 0.000 0.295 140 T C -0.579 174.185 174.700 0.106 0.000 0.936 140 T CA -0.351 61.752 62.100 0.005 0.000 1.060 140 T CB -0.044 68.868 68.868 0.073 0.000 0.904 140 T HN 0.576 nan 8.240 nan 0.000 0.500 141 N N 3.376 122.047 118.700 -0.049 0.000 2.414 141 N HA 0.159 4.899 4.740 -0.001 0.000 0.256 141 N C -0.662 174.726 175.510 -0.203 0.000 1.029 141 N CA -0.503 52.523 53.050 -0.039 0.000 0.948 141 N CB 0.452 38.923 38.487 -0.026 0.000 1.102 141 N HN 0.484 nan 8.380 nan 0.000 0.496 142 N N 3.430 121.894 118.700 -0.394 0.000 2.422 142 N HA 0.466 5.205 4.740 -0.001 0.000 0.266 142 N C -1.149 174.186 175.510 -0.292 0.000 1.007 142 N CA -0.290 52.414 53.050 -0.576 0.000 0.941 142 N CB 0.534 38.125 38.487 -1.493 0.000 1.115 142 N HN 0.488 nan 8.380 nan 0.000 0.492 143 I N 3.281 123.740 120.570 -0.185 0.000 2.828 143 I HA 0.419 4.589 4.170 -0.001 0.000 0.302 143 I C -2.167 173.907 176.117 -0.072 0.000 1.101 143 I CA -2.669 58.575 61.300 -0.094 0.000 1.031 143 I CB 2.494 40.458 38.000 -0.060 0.000 1.231 143 I HN 0.421 nan 8.210 nan 0.000 0.427 144 P HA 0.015 nan 4.420 nan 0.000 0.260 144 P C -0.673 176.608 177.300 -0.031 0.000 1.172 144 P CA 0.708 63.790 63.100 -0.030 0.000 0.760 144 P CB 0.158 31.841 31.700 -0.027 0.000 0.773 145 D N -0.212 120.173 120.400 -0.024 0.000 3.079 145 D HA -0.190 4.450 4.640 -0.001 0.000 0.214 145 D C -0.034 176.253 176.300 -0.022 0.000 1.145 145 D CA 1.315 55.303 54.000 -0.021 0.000 0.958 145 D CB -1.545 39.243 40.800 -0.020 0.000 1.117 145 D HN 0.430 nan 8.370 nan 0.000 0.416 146 N N 0.178 118.859 118.700 -0.031 0.000 2.406 146 N HA 0.290 5.030 4.740 -0.001 0.000 0.283 146 N C -1.685 173.800 175.510 -0.042 0.000 1.074 146 N CA -0.258 52.778 53.050 -0.025 0.000 0.916 146 N CB 1.385 39.857 38.487 -0.026 0.000 1.639 146 N HN -0.071 nan 8.380 nan 0.000 0.485 147 Q N 1.265 121.070 119.800 0.009 0.000 2.309 147 Q HA 0.521 4.860 4.340 -0.001 0.000 0.270 147 Q C -0.839 175.215 176.000 0.091 0.000 1.023 147 Q CA -0.787 55.016 55.803 0.000 0.000 0.758 147 Q CB 1.937 30.692 28.738 0.029 0.000 1.247 147 Q HN 0.719 nan 8.270 nan 0.000 0.455 148 T N -1.024 113.520 114.554 -0.015 0.000 2.916 148 T HA 0.482 4.832 4.350 -0.001 0.000 0.292 148 T C -0.455 174.128 174.700 -0.195 0.000 1.064 148 T CA -1.069 61.025 62.100 -0.010 0.000 1.011 148 T CB 1.761 70.614 68.868 -0.025 0.000 1.152 148 T HN 0.206 nan 8.240 nan 0.000 0.510 149 Q N 1.853 121.500 119.800 -0.255 0.000 2.303 149 Q HA 0.569 4.908 4.340 -0.001 0.000 0.257 149 Q C -1.148 174.615 176.000 -0.395 0.000 0.941 149 Q CA -0.343 55.209 55.803 -0.419 0.000 0.931 149 Q CB 1.235 29.639 28.738 -0.556 0.000 1.215 149 Q HN 0.663 nan 8.270 nan 0.000 0.437 150 D N 1.520 121.542 120.400 -0.630 0.000 2.423 150 D HA 0.631 5.270 4.640 -0.001 0.000 0.235 150 D C 0.046 175.859 176.300 -0.812 0.000 1.011 150 D CA -0.538 53.065 54.000 -0.661 0.000 0.963 150 D CB 1.693 42.026 40.800 -0.779 0.000 1.349 150 D HN 0.503 nan 8.370 nan 0.000 0.508 151 I N -2.525 117.836 120.570 -0.348 0.000 2.892 151 I HA 0.936 5.105 4.170 -0.001 0.000 0.306 151 I C -1.291 174.851 176.117 0.042 0.000 1.078 151 I CA -1.069 60.143 61.300 -0.146 0.000 1.032 151 I CB 2.288 40.287 38.000 -0.001 0.000 1.229 151 I HN 0.400 nan 8.210 nan 0.000 0.435 152 A N 3.428 126.287 122.820 0.066 0.000 2.574 152 A HA 0.792 5.111 4.320 -0.001 0.000 0.297 152 A C -1.291 176.346 177.584 0.087 0.000 1.062 152 A CA -0.545 51.488 52.037 -0.006 0.000 0.686 152 A CB 1.389 20.368 19.000 -0.036 0.000 1.285 152 A HN 0.857 nan 8.150 nan 0.000 0.403 153 F N 0.185 120.050 119.950 -0.142 0.000 2.538 153 F HA 0.878 5.404 4.527 -0.001 0.000 0.325 153 F C 0.104 175.769 175.800 -0.224 0.000 1.066 153 F CA -0.952 56.954 58.000 -0.158 0.000 0.946 153 F CB 1.939 40.589 39.000 -0.584 0.000 1.199 153 F HN 0.483 nan 8.300 nan 0.000 0.473 154 S N 2.490 118.091 115.700 -0.164 0.000 2.473 154 S HA 0.594 5.064 4.470 -0.001 0.000 0.307 154 S C -0.217 174.387 174.600 0.007 0.000 1.094 154 S CA -0.747 57.161 58.200 -0.487 0.000 1.070 154 S CB 1.001 63.547 63.200 -1.090 0.000 1.019 154 S HN 0.824 nan 8.310 nan 0.000 0.480 155 L N 3.374 124.602 121.223 0.008 0.000 2.728 155 L HA 0.370 4.710 4.340 -0.001 0.000 0.238 155 L C 0.322 177.218 176.870 0.044 0.000 1.143 155 L CA -0.069 54.840 54.840 0.115 0.000 0.937 155 L CB 0.113 42.260 42.059 0.147 0.000 1.225 155 L HN 0.648 nan 8.230 nan 0.000 0.507 156 D N -1.065 119.337 120.400 0.003 0.000 2.650 156 D HA 0.203 4.842 4.640 -0.001 0.000 0.265 156 D C 1.101 177.493 176.300 0.152 0.000 1.339 156 D CA 0.089 54.117 54.000 0.047 0.000 0.816 156 D CB 0.522 41.339 40.800 0.028 0.000 1.091 156 D HN 0.077 nan 8.370 nan 0.000 0.483 157 G N -0.367 108.505 108.800 0.120 0.000 2.132 157 G HA2 0.026 3.985 3.960 -0.001 0.000 0.234 157 G HA3 0.026 3.985 3.960 -0.001 0.000 0.234 157 G C 1.079 176.124 174.900 0.241 0.000 0.989 157 G CA 0.222 45.453 45.100 0.218 0.000 0.676 157 G HN 1.435 nan 8.290 nan 0.000 0.522 158 G N -2.225 106.600 108.800 0.042 0.000 2.134 158 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.209 158 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.209 158 G C 0.632 175.524 174.900 -0.013 0.000 0.993 158 G CA 0.775 45.841 45.100 -0.056 0.000 0.669 158 G HN 0.978 nan 8.290 nan 0.000 0.519 159 Y N 1.024 121.374 120.300 0.083 0.000 2.479 159 Y HA 0.327 4.877 4.550 -0.001 0.000 0.283 159 Y C 1.948 177.935 175.900 0.145 0.000 1.109 159 Y CA 1.355 59.574 58.100 0.199 0.000 1.239 159 Y CB 0.537 39.067 38.460 0.116 0.000 1.108 159 Y HN 0.504 nan 8.280 nan 0.000 0.548 160 T N -2.345 112.263 114.554 0.090 0.000 2.900 160 T HA 0.643 4.992 4.350 -0.001 0.000 0.295 160 T C -1.091 173.465 174.700 -0.241 0.000 1.044 160 T CA -0.649 61.476 62.100 0.042 0.000 0.995 160 T CB 1.749 70.630 68.868 0.022 0.000 1.072 160 T HN -0.139 nan 8.240 nan 0.000 0.473 161 F N 0.445 120.305 119.950 -0.149 0.000 2.551 161 F HA 0.606 5.133 4.527 -0.001 0.000 0.316 161 F C 0.401 175.961 175.800 -0.399 0.000 1.089 161 F CA -0.704 57.120 58.000 -0.294 0.000 0.915 161 F CB 2.813 41.620 39.000 -0.323 0.000 1.186 161 F HN 0.610 nan 8.300 nan 0.000 0.456 162 T N 2.858 117.089 114.554 -0.540 0.000 2.758 162 T HA 0.322 4.672 4.350 -0.001 0.000 0.285 162 T C -0.313 173.997 174.700 -0.649 0.000 0.981 162 T CA -0.933 60.758 62.100 -0.681 0.000 0.965 162 T CB 0.748 68.972 68.868 -1.074 0.000 0.927 162 T HN 0.338 nan 8.240 nan 0.000 0.448 163 K N 2.064 122.282 120.400 -0.302 0.000 2.326 163 K HA 0.174 4.494 4.320 -0.001 0.000 0.275 163 K C -0.265 176.313 176.600 -0.036 0.000 1.018 163 K CA -0.616 55.592 56.287 -0.132 0.000 0.962 163 K CB 0.483 32.948 32.500 -0.059 0.000 0.953 163 K HN 0.531 nan 8.250 nan 0.000 0.475 164 Y N 2.408 122.667 120.300 -0.067 0.000 2.620 164 Y HA -0.115 4.434 4.550 -0.001 0.000 0.330 164 Y C 1.269 177.201 175.900 0.054 0.000 1.186 164 Y CA 0.229 58.363 58.100 0.056 0.000 1.467 164 Y CB 0.476 39.023 38.460 0.145 0.000 1.262 164 Y HN 0.729 nan 8.280 nan 0.000 0.550 165 E N 2.815 122.886 120.200 -0.214 0.000 2.160 165 E HA -0.226 4.124 4.350 -0.001 0.000 0.195 165 E C 0.245 176.563 176.600 -0.470 0.000 0.991 165 E CA 1.253 57.483 56.400 -0.283 0.000 0.810 165 E CB 0.158 29.766 29.700 -0.153 0.000 0.742 165 E HN 0.669 nan 8.360 nan 0.000 0.466 166 N N 1.336 119.409 118.700 -1.046 0.000 2.380 166 N HA 0.048 4.787 4.740 -0.001 0.000 0.255 166 N C -0.651 174.623 175.510 -0.392 0.000 1.158 166 N CA -0.056 52.584 53.050 -0.684 0.000 0.878 166 N CB 0.165 38.316 38.487 -0.560 0.000 1.138 166 N HN 0.024 nan 8.380 nan 0.000 0.509 167 N N 2.663 121.207 118.700 -0.260 0.000 2.454 167 N HA 0.126 4.865 4.740 -0.001 0.000 0.254 167 N C -2.034 173.445 175.510 -0.051 0.000 1.228 167 N CA -0.461 52.568 53.050 -0.035 0.000 0.900 167 N CB 0.490 38.961 38.487 -0.028 0.000 1.089 167 N HN 0.204 nan 8.380 nan 0.000 0.449 168 P HA 0.098 nan 4.420 nan 0.000 0.281 168 P C 0.818 178.152 177.300 0.057 0.000 1.249 168 P CA -0.467 62.625 63.100 -0.014 0.000 0.810 168 P CB 0.923 32.606 31.700 -0.027 0.000 1.008 169 V N -0.392 119.564 119.914 0.070 0.000 2.951 169 V HA 0.221 4.340 4.120 -0.001 0.000 0.255 169 V C 0.826 176.992 176.094 0.120 0.000 1.088 169 V CA 0.832 63.236 62.300 0.174 0.000 1.109 169 V CB -0.750 31.236 31.823 0.271 0.000 0.724 169 V HN 0.320 nan 8.190 nan 0.000 0.471 170 I N 1.126 121.689 120.570 -0.012 0.000 2.548 170 I HA 0.611 4.780 4.170 -0.001 0.000 0.287 170 I C -1.746 174.424 176.117 0.089 0.000 1.103 170 I CA -0.323 60.978 61.300 0.002 0.000 1.049 170 I CB 2.084 39.973 38.000 -0.184 0.000 1.232 170 I HN 0.003 nan 8.210 nan 0.000 0.429 171 D N 5.457 125.901 120.400 0.073 0.000 2.736 171 D HA 0.358 4.997 4.640 -0.001 0.000 0.243 171 D C -0.103 176.174 176.300 -0.038 0.000 1.304 171 D CA -0.363 53.665 54.000 0.047 0.000 0.934 171 D CB 2.304 43.120 40.800 0.027 0.000 1.382 171 D HN 0.322 nan 8.370 nan 0.000 0.571 172 V N 0.513 120.325 119.914 -0.170 0.000 3.121 172 V HA 0.352 4.471 4.120 -0.001 0.000 0.344 172 V C 0.401 176.396 176.094 -0.165 0.000 1.390 172 V CA -0.070 62.093 62.300 -0.229 0.000 1.177 172 V CB -0.403 31.150 31.823 -0.450 0.000 1.163 172 V HN 0.546 nan 8.190 nan 0.000 0.484 173 S N 0.082 115.726 115.700 -0.093 0.000 3.706 173 S HA -0.170 4.299 4.470 -0.001 0.000 0.363 173 S C 0.297 174.861 174.600 -0.061 0.000 0.999 173 S CA 1.182 59.347 58.200 -0.058 0.000 1.143 173 S CB -1.650 61.521 63.200 -0.048 0.000 0.902 173 S HN 1.315 nan 8.310 nan 0.000 0.476 174 S N -0.209 115.460 115.700 -0.053 0.000 2.568 174 S HA 0.707 5.176 4.470 -0.001 0.000 0.293 174 S C 0.289 174.909 174.600 0.034 0.000 1.089 174 S CA -0.705 57.480 58.200 -0.026 0.000 0.945 174 S CB 1.522 64.682 63.200 -0.067 0.000 1.077 174 S HN 0.287 nan 8.310 nan 0.000 0.485 175 N N 1.517 120.233 118.700 0.026 0.000 2.236 175 N HA 0.218 4.957 4.740 -0.001 0.000 0.196 175 N C -0.715 174.828 175.510 0.056 0.000 1.114 175 N CA 0.219 53.286 53.050 0.029 0.000 0.859 175 N CB 0.319 38.808 38.487 0.004 0.000 0.982 175 N HN 0.493 nan 8.380 nan 0.000 0.493 176 Q N 0.419 120.271 119.800 0.087 0.000 3.300 176 Q HA 0.204 4.544 4.340 -0.001 0.000 0.271 176 Q C -1.627 174.501 176.000 0.213 0.000 0.926 176 Q CA -0.296 55.568 55.803 0.101 0.000 0.788 176 Q CB 0.422 29.177 28.738 0.029 0.000 1.385 176 Q HN 0.229 nan 8.270 nan 0.000 0.424 177 F N 2.497 122.460 119.950 0.021 0.000 3.483 177 F HA 0.384 4.910 4.527 -0.001 0.000 0.393 177 F C -1.318 174.501 175.800 0.031 0.000 1.240 177 F CA -0.383 57.630 58.000 0.022 0.000 1.320 177 F CB 0.610 39.608 39.000 -0.003 0.000 1.965 177 F HN 0.274 nan 8.300 nan 0.000 0.715 178 R N 2.734 123.130 120.500 -0.172 0.000 2.716 178 R HA 0.644 4.984 4.340 -0.001 0.000 0.271 178 R C -1.742 174.508 176.300 -0.082 0.000 1.028 178 R CA -0.830 55.192 56.100 -0.130 0.000 0.883 178 R CB 1.482 31.850 30.300 0.112 0.000 1.250 178 R HN 0.234 nan 8.270 nan 0.000 0.465 179 D N -0.254 120.128 120.400 -0.029 0.000 2.922 179 D HA -0.061 4.578 4.640 -0.001 0.000 0.252 179 D C -2.513 173.768 176.300 -0.033 0.000 1.070 179 D CA 0.294 54.305 54.000 0.019 0.000 0.813 179 D CB -0.857 39.978 40.800 0.059 0.000 1.046 179 D HN 0.512 nan 8.370 nan 0.000 0.429 180 P HA 0.258 nan 4.420 nan 0.000 0.282 180 P C -0.211 177.079 177.300 -0.017 0.000 1.262 180 P CA -0.227 62.801 63.100 -0.119 0.000 0.773 180 P CB 0.986 32.530 31.700 -0.259 0.000 0.879 181 K N 3.800 124.220 120.400 0.034 0.000 2.339 181 K HA 0.440 4.759 4.320 -0.001 0.000 0.264 181 K C -1.283 175.435 176.600 0.196 0.000 0.986 181 K CA -0.989 55.366 56.287 0.113 0.000 0.866 181 K CB 0.704 33.280 32.500 0.127 0.000 1.103 181 K HN 0.263 nan 8.250 nan 0.000 0.441 182 V N 5.823 125.872 119.914 0.224 0.000 2.715 182 V HA 0.915 5.034 4.120 -0.001 0.000 0.310 182 V C -1.503 174.908 176.094 0.528 0.000 1.054 182 V CA -0.548 61.934 62.300 0.303 0.000 0.928 182 V CB 0.831 32.782 31.823 0.214 0.000 1.007 182 V HN 0.729 nan 8.190 nan 0.000 0.437 183 F N 3.629 123.881 119.950 0.503 0.000 2.631 183 F HA 0.550 5.077 4.527 -0.001 0.000 0.308 183 F C -1.178 175.051 175.800 0.715 0.000 1.097 183 F CA -1.420 56.934 58.000 0.590 0.000 0.952 183 F CB 1.346 40.606 39.000 0.435 0.000 1.307 183 F HN 0.828 nan 8.300 nan 0.000 0.450 184 W N 4.223 125.853 121.300 0.550 0.000 2.345 184 W HA 0.270 4.930 4.660 -0.001 0.000 0.308 184 W C -1.268 175.441 176.519 0.316 0.000 1.273 184 W CA -0.140 57.218 57.345 0.021 0.000 1.243 184 W CB 0.636 29.872 29.460 -0.374 0.000 1.260 184 W HN 0.829 nan 8.180 nan 0.000 0.509 185 H N 5.446 124.205 119.070 -0.517 0.000 2.690 185 H HA 0.099 4.654 4.556 -0.001 0.000 0.289 185 H C 1.278 176.274 175.328 -0.553 0.000 1.089 185 H CA 0.192 56.121 56.048 -0.199 0.000 1.299 185 H CB 0.917 30.594 29.762 -0.141 0.000 1.405 185 H HN 0.438 nan 8.280 nan 0.000 0.463 186 E N 3.184 123.128 120.200 -0.426 0.000 2.038 186 E HA -0.175 4.175 4.350 -0.001 0.000 0.195 186 E C 1.004 177.381 176.600 -0.371 0.000 1.000 186 E CA 1.327 57.575 56.400 -0.253 0.000 0.803 186 E CB 0.176 29.886 29.700 0.017 0.000 0.750 186 E HN 0.783 nan 8.360 nan 0.000 0.448 187 D N 0.027 120.080 120.400 -0.577 0.000 2.133 187 D HA -0.123 4.517 4.640 -0.001 0.000 0.195 187 D C 1.778 177.937 176.300 -0.234 0.000 0.997 187 D CA 1.727 55.518 54.000 -0.349 0.000 0.840 187 D CB -0.276 40.367 40.800 -0.261 0.000 0.947 187 D HN 0.184 nan 8.370 nan 0.000 0.452 188 S N -0.864 114.675 115.700 -0.269 0.000 2.572 188 S HA 0.037 4.507 4.470 -0.001 0.000 0.228 188 S C 0.432 174.872 174.600 -0.266 0.000 0.963 188 S CA -0.449 57.652 58.200 -0.165 0.000 0.939 188 S CB -0.344 62.705 63.200 -0.251 0.000 0.804 188 S HN 0.163 nan 8.310 nan 0.000 0.480 189 N N 2.488 120.963 118.700 -0.375 0.000 2.669 189 N HA -0.183 4.556 4.740 -0.001 0.000 0.266 189 N C -0.473 174.633 175.510 -0.672 0.000 1.024 189 N CA 1.230 54.030 53.050 -0.416 0.000 0.766 189 N CB -0.674 37.774 38.487 -0.065 0.000 0.898 189 N HN 0.970 nan 8.380 nan 0.000 0.548 190 Q N -1.093 117.928 119.800 -1.297 0.000 2.687 190 Q HA 0.341 4.680 4.340 -0.001 0.000 0.295 190 Q C -1.459 173.879 176.000 -1.102 0.000 0.920 190 Q CA -1.000 54.203 55.803 -1.002 0.000 0.766 190 Q CB 0.629 29.114 28.738 -0.422 0.000 1.467 190 Q HN 0.202 nan 8.270 nan 0.000 0.415 191 W N 1.111 122.234 121.300 -0.294 0.000 2.272 191 W HA 0.515 5.174 4.660 -0.001 0.000 0.318 191 W C -0.222 176.237 176.519 -0.100 0.000 1.255 191 W CA -0.517 56.792 57.345 -0.061 0.000 1.200 191 W CB 0.857 30.361 29.460 0.073 0.000 1.170 191 W HN 0.345 nan 8.180 nan 0.000 0.549 192 I N 4.644 125.242 120.570 0.046 0.000 2.474 192 I HA 0.386 4.555 4.170 -0.001 0.000 0.294 192 I C -0.323 175.835 176.117 0.068 0.000 1.005 192 I CA -1.361 59.883 61.300 -0.093 0.000 1.113 192 I CB 1.562 39.113 38.000 -0.748 0.000 1.289 192 I HN 0.446 nan 8.210 nan 0.000 0.436 193 M N 7.567 127.304 119.600 0.229 0.000 2.181 193 M HA 0.479 4.959 4.480 -0.001 0.000 0.323 193 M C -1.238 175.137 176.300 0.125 0.000 1.004 193 M CA -0.789 54.536 55.300 0.041 0.000 0.941 193 M CB 1.673 34.019 32.600 -0.425 0.000 1.579 193 M HN 0.388 nan 8.290 nan 0.000 0.427 194 V N 3.938 123.931 119.914 0.132 0.000 2.407 194 V HA 0.809 4.928 4.120 -0.001 0.000 0.278 194 V C -0.837 175.319 176.094 0.103 0.000 1.037 194 V CA -0.545 61.844 62.300 0.148 0.000 0.900 194 V CB 1.077 32.983 31.823 0.138 0.000 0.983 194 V HN 0.723 nan 8.190 nan 0.000 0.459 195 V N 4.387 124.388 119.914 0.144 0.000 2.971 195 V HA 0.764 4.884 4.120 -0.001 0.000 0.309 195 V C 0.104 176.304 176.094 0.177 0.000 1.130 195 V CA 0.255 62.593 62.300 0.063 0.000 0.964 195 V CB 2.919 34.664 31.823 -0.129 0.000 1.029 195 V HN 1.392 nan 8.190 nan 0.000 0.427 196 S N 4.221 120.008 115.700 0.145 0.000 2.499 196 S HA 0.567 5.036 4.470 -0.001 0.000 0.279 196 S C -0.489 174.276 174.600 0.276 0.000 1.219 196 S CA -0.528 57.820 58.200 0.246 0.000 1.062 196 S CB 1.284 64.638 63.200 0.256 0.000 0.978 196 S HN 0.694 nan 8.310 nan 0.000 0.489 197 K N 2.987 123.560 120.400 0.287 0.000 2.231 197 K HA 0.415 4.735 4.320 -0.001 0.000 0.255 197 K C 0.903 177.542 176.600 0.065 0.000 1.108 197 K CA -0.322 56.107 56.287 0.237 0.000 0.997 197 K CB -0.421 32.178 32.500 0.166 0.000 1.549 197 K HN 0.668 nan 8.250 nan 0.000 0.419 198 S N 2.405 118.154 115.700 0.082 0.000 2.359 198 S HA -0.206 4.263 4.470 -0.001 0.000 0.223 198 S C 1.120 175.587 174.600 -0.222 0.000 1.039 198 S CA 1.374 59.589 58.200 0.025 0.000 1.042 198 S CB -0.140 63.099 63.200 0.065 0.000 0.915 198 S HN 0.696 nan 8.310 nan 0.000 0.439 199 Q N 0.049 119.694 119.800 -0.258 0.000 2.403 199 Q HA 0.135 4.475 4.340 -0.001 0.000 0.203 199 Q C 1.086 176.729 176.000 -0.595 0.000 0.932 199 Q CA 0.224 55.751 55.803 -0.461 0.000 0.945 199 Q CB 0.126 28.716 28.738 -0.246 0.000 1.045 199 Q HN 0.605 nan 8.270 nan 0.000 0.511 200 E N -0.274 119.663 120.200 -0.439 0.000 2.474 200 E HA -0.007 4.343 4.350 -0.001 0.000 0.195 200 E C -0.814 175.548 176.600 -0.396 0.000 1.039 200 E CA -0.236 55.971 56.400 -0.321 0.000 0.881 200 E CB 0.266 29.872 29.700 -0.156 0.000 0.970 200 E HN 0.282 nan 8.360 nan 0.000 0.486 201 Y N 0.554 120.487 120.300 -0.612 0.000 3.234 201 Y HA -0.281 4.269 4.550 -0.001 0.000 0.207 201 Y C -0.364 174.821 175.900 -1.191 0.000 1.316 201 Y CA 0.390 57.622 58.100 -1.447 0.000 1.309 201 Y CB -1.370 36.197 38.460 -1.488 0.000 1.408 201 Y HN -0.077 nan 8.280 nan 0.000 0.544 202 K N 1.014 121.142 120.400 -0.454 0.000 2.426 202 K HA 0.572 4.891 4.320 -0.001 0.000 0.254 202 K C -0.271 176.509 176.600 0.299 0.000 0.936 202 K CA -0.863 55.416 56.287 -0.013 0.000 0.801 202 K CB 2.251 34.758 32.500 0.013 0.000 1.139 202 K HN 0.158 nan 8.250 nan 0.000 0.424 203 I N 3.259 124.093 120.570 0.440 0.000 2.352 203 I HA 0.073 4.242 4.170 -0.001 0.000 0.290 203 I C 0.397 176.690 176.117 0.294 0.000 1.036 203 I CA -0.213 61.314 61.300 0.377 0.000 1.336 203 I CB 0.637 38.852 38.000 0.358 0.000 1.407 203 I HN 0.237 nan 8.210 nan 0.000 0.497 204 Q N 7.095 127.066 119.800 0.284 0.000 2.290 204 Q HA 0.557 4.897 4.340 -0.001 0.000 0.259 204 Q C -0.814 175.336 176.000 0.251 0.000 0.941 204 Q CA -0.585 55.362 55.803 0.239 0.000 0.912 204 Q CB 2.655 31.602 28.738 0.349 0.000 1.244 204 Q HN 0.583 nan 8.270 nan 0.000 0.441 205 I N 3.273 123.919 120.570 0.126 0.000 2.328 205 I HA 0.323 4.492 4.170 -0.001 0.000 0.287 205 I C -0.603 175.575 176.117 0.102 0.000 1.012 205 I CA -0.344 61.059 61.300 0.172 0.000 1.195 205 I CB 0.366 38.478 38.000 0.187 0.000 1.350 205 I HN 0.425 nan 8.210 nan 0.000 0.464 206 F N 3.272 123.331 119.950 0.182 0.000 2.450 206 F HA 0.758 5.285 4.527 -0.001 0.000 0.328 206 F C 0.978 177.006 175.800 0.380 0.000 1.068 206 F CA -0.520 57.654 58.000 0.291 0.000 1.007 206 F CB 1.826 41.014 39.000 0.313 0.000 1.251 206 F HN 0.363 nan 8.300 nan 0.000 0.492 207 G N 0.055 109.207 108.800 0.587 0.000 2.571 207 G HA2 0.533 4.492 3.960 -0.001 0.000 0.304 207 G HA3 0.533 4.492 3.960 -0.001 0.000 0.304 207 G C -1.768 173.197 174.900 0.107 0.000 1.314 207 G CA -0.650 44.630 45.100 0.300 0.000 0.975 207 G HN 0.623 nan 8.290 nan 0.000 0.485 208 S N -0.601 114.975 115.700 -0.206 0.000 2.535 208 S HA 0.580 5.049 4.470 -0.001 0.000 0.272 208 S C 0.590 175.101 174.600 -0.148 0.000 1.149 208 S CA 0.350 58.260 58.200 -0.484 0.000 0.888 208 S CB 1.577 63.810 63.200 -1.611 0.000 1.110 208 S HN 1.521 nan 8.310 nan 0.000 0.463 209 A N 3.347 126.121 122.820 -0.077 0.000 2.238 209 A HA 0.295 4.615 4.320 -0.001 0.000 0.210 209 A C 1.294 178.987 177.584 0.182 0.000 1.179 209 A CA 0.471 52.559 52.037 0.086 0.000 0.827 209 A CB -0.474 18.548 19.000 0.037 0.000 0.856 209 A HN 0.844 nan 8.150 nan 0.000 0.488 210 N N -1.134 117.567 118.700 0.002 0.000 2.419 210 N HA 0.224 4.963 4.740 -0.001 0.000 0.216 210 N C 0.317 175.682 175.510 -0.241 0.000 1.118 210 N CA 0.451 53.429 53.050 -0.119 0.000 0.850 210 N CB 0.491 38.849 38.487 -0.215 0.000 1.292 210 N HN 0.193 nan 8.380 nan 0.000 0.467 211 L N -0.418 120.545 121.223 -0.433 0.000 5.188 211 L HA -0.359 3.980 4.340 -0.001 0.000 0.431 211 L C 0.957 177.767 176.870 -0.101 0.000 1.017 211 L CA 1.178 55.807 54.840 -0.351 0.000 1.195 211 L CB -0.953 40.897 42.059 -0.348 0.000 1.860 211 L HN 0.152 nan 8.230 nan 0.000 0.691 212 K N -0.608 119.620 120.400 -0.287 0.000 2.286 212 K HA 0.215 4.535 4.320 -0.001 0.000 0.203 212 K C 0.593 177.183 176.600 -0.017 0.000 1.078 212 K CA 0.334 56.557 56.287 -0.106 0.000 0.957 212 K CB 0.323 32.704 32.500 -0.198 0.000 1.018 212 K HN 0.164 nan 8.250 nan 0.000 0.484 213 N N 0.640 119.213 118.700 -0.213 0.000 2.469 213 N HA 0.146 4.886 4.740 -0.001 0.000 0.253 213 N C -1.450 173.930 175.510 -0.216 0.000 0.970 213 N CA -0.154 52.844 53.050 -0.086 0.000 0.940 213 N CB 0.860 39.324 38.487 -0.039 0.000 1.128 213 N HN 0.045 nan 8.380 nan 0.000 0.503 214 W N 1.215 122.582 121.300 0.111 0.000 2.606 214 W HA 0.524 5.184 4.660 -0.001 0.000 0.332 214 W C -0.177 176.514 176.519 0.286 0.000 1.052 214 W CA -0.744 56.714 57.345 0.189 0.000 1.223 214 W CB 1.377 30.905 29.460 0.114 0.000 1.383 214 W HN -0.009 nan 8.180 nan 0.000 0.524 215 V N 4.713 124.952 119.914 0.540 0.000 2.444 215 V HA 0.254 4.374 4.120 -0.001 0.000 0.294 215 V C -0.581 175.691 176.094 0.297 0.000 1.022 215 V CA -1.154 61.365 62.300 0.365 0.000 0.850 215 V CB 1.437 33.384 31.823 0.206 0.000 0.992 215 V HN 0.362 nan 8.190 nan 0.000 0.426 216 L N 5.648 126.884 121.223 0.021 0.000 2.456 216 L HA 0.330 4.669 4.340 -0.001 0.000 0.277 216 L C 1.101 177.862 176.870 -0.182 0.000 1.124 216 L CA 0.850 55.374 54.840 -0.526 0.000 0.880 216 L CB 0.194 41.870 42.059 -0.639 0.000 1.192 216 L HN 0.586 nan 8.230 nan 0.000 0.463 217 N N 1.760 120.399 118.700 -0.101 0.000 2.368 217 N HA 0.073 4.812 4.740 -0.001 0.000 0.178 217 N C -0.068 175.466 175.510 0.040 0.000 1.021 217 N CA 0.932 54.018 53.050 0.059 0.000 0.875 217 N CB 0.268 38.888 38.487 0.222 0.000 1.020 217 N HN 0.751 nan 8.380 nan 0.000 0.433 218 S N -0.662 115.048 115.700 0.016 0.000 2.611 218 S HA 0.469 4.939 4.470 -0.001 0.000 0.268 218 S C -1.629 173.013 174.600 0.070 0.000 1.156 218 S CA -1.050 57.188 58.200 0.063 0.000 0.817 218 S CB 2.151 65.433 63.200 0.136 0.000 1.122 218 S HN -0.050 nan 8.310 nan 0.000 0.466 219 N N 0.279 119.047 118.700 0.112 0.000 2.269 219 N HA 0.648 5.387 4.740 -0.001 0.000 0.304 219 N C -2.045 173.622 175.510 0.262 0.000 1.072 219 N CA -0.345 52.795 53.050 0.150 0.000 0.802 219 N CB 1.745 40.282 38.487 0.084 0.000 1.348 219 N HN 0.636 nan 8.380 nan 0.000 0.484 220 F N 0.834 120.852 119.950 0.113 0.000 2.518 220 F HA 0.498 5.025 4.527 -0.000 0.000 0.323 220 F C -0.746 175.144 175.800 0.150 0.000 1.129 220 F CA -0.504 57.566 58.000 0.116 0.000 0.920 220 F CB 1.278 40.351 39.000 0.121 0.000 1.160 220 F HN 0.217 nan 8.300 nan 0.000 0.440 221 S N 3.980 119.343 115.700 -0.562 0.000 2.672 221 S HA 0.734 5.203 4.470 -0.001 0.000 0.291 221 S C -0.955 173.354 174.600 -0.486 0.000 1.145 221 S CA -0.638 57.356 58.200 -0.344 0.000 1.013 221 S CB 1.625 64.750 63.200 -0.125 0.000 1.017 221 S HN 0.742 nan 8.310 nan 0.000 0.487 222 S N 1.755 117.319 115.700 -0.226 0.000 2.656 222 S HA 0.821 5.291 4.470 -0.001 0.000 0.265 222 S C 0.092 174.968 174.600 0.461 0.000 1.132 222 S CA 0.429 58.608 58.200 -0.035 0.000 0.819 222 S CB 0.763 63.681 63.200 -0.470 0.000 1.119 222 S HN 1.888 nan 8.310 nan 0.000 0.476 223 G N 0.987 110.084 108.800 0.495 0.000 2.525 223 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.248 223 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.248 223 G C -0.866 174.256 174.900 0.369 0.000 1.238 223 G CA 0.309 45.702 45.100 0.489 0.000 0.926 223 G HN 1.302 nan 8.290 nan 0.000 0.574 224 Y N 1.198 121.655 120.300 0.261 0.000 2.404 224 Y HA 0.553 5.101 4.550 -0.002 0.000 0.344 224 Y C 1.384 177.572 175.900 0.480 0.000 0.995 224 Y CA -0.090 58.184 58.100 0.290 0.000 1.201 224 Y CB 0.409 39.065 38.460 0.328 0.000 1.151 224 Y HN 0.477 nan 8.280 nan 0.000 0.517 225 Y N 3.416 123.689 120.300 -0.046 0.000 2.206 225 Y HA 0.058 4.607 4.550 -0.000 0.000 0.292 225 Y C 1.983 178.030 175.900 0.245 0.000 1.123 225 Y CA 0.491 58.604 58.100 0.021 0.000 1.142 225 Y CB -0.838 37.232 38.460 -0.650 0.000 1.006 225 Y HN 0.840 nan 8.280 nan 0.000 0.518 226 G N 0.661 109.638 108.800 0.296 0.000 2.594 226 G HA2 -0.510 3.449 3.960 -0.001 0.000 0.297 226 G HA3 -0.510 3.449 3.960 -0.001 0.000 0.297 226 G C 1.039 176.184 174.900 0.409 0.000 1.273 226 G CA 1.012 46.331 45.100 0.365 0.000 0.974 226 G HN 0.437 nan 8.290 nan 0.000 0.552 227 N N -0.469 118.457 118.700 0.378 0.000 2.336 227 N HA 0.149 4.889 4.740 -0.001 0.000 0.177 227 N C 0.903 176.597 175.510 0.306 0.000 1.018 227 N CA 1.962 55.202 53.050 0.317 0.000 0.878 227 N CB 0.183 38.767 38.487 0.163 0.000 0.997 227 N HN 0.699 nan 8.380 nan 0.000 0.433 228 Q N -1.175 118.834 119.800 0.348 0.000 2.426 228 Q HA 0.212 4.552 4.340 -0.001 0.000 0.278 228 Q C -1.780 174.491 176.000 0.451 0.000 1.007 228 Q CA -0.771 55.154 55.803 0.203 0.000 0.850 228 Q CB 1.464 30.274 28.738 0.120 0.000 1.427 228 Q HN 0.105 nan 8.270 nan 0.000 0.391 229 Y N 1.235 121.617 120.300 0.137 0.000 2.304 229 Y HA 0.375 4.924 4.550 -0.001 0.000 0.328 229 Y C 0.210 176.216 175.900 0.177 0.000 1.123 229 Y CA -0.205 58.012 58.100 0.194 0.000 1.218 229 Y CB 1.095 39.642 38.460 0.145 0.000 1.207 229 Y HN 0.524 nan 8.280 nan 0.000 0.495 230 E N -0.161 120.223 120.200 0.307 0.000 2.456 230 E HA 0.360 4.710 4.350 -0.001 0.000 0.276 230 E C -0.940 175.744 176.600 0.140 0.000 0.981 230 E CA -1.060 55.476 56.400 0.226 0.000 0.814 230 E CB 1.806 31.671 29.700 0.274 0.000 1.382 230 E HN 0.598 nan 8.360 nan 0.000 0.459 231 C N 2.323 121.677 119.300 0.089 0.000 2.694 231 C HA -0.107 4.352 4.460 -0.001 0.000 0.207 231 C C -1.892 173.145 174.990 0.078 0.000 1.404 231 C CA -0.564 58.477 59.018 0.040 0.000 2.372 231 C CB -2.610 25.099 27.740 -0.052 0.000 1.522 231 C HN 0.375 nan 8.230 nan 0.000 0.367 232 P HA 0.515 nan 4.420 nan 0.000 0.274 232 P C 0.285 177.676 177.300 0.151 0.000 1.237 232 P CA 0.706 63.894 63.100 0.147 0.000 0.793 232 P CB 1.103 32.891 31.700 0.148 0.000 0.977 233 G N 0.465 109.397 108.800 0.219 0.000 2.659 233 G HA2 0.580 4.540 3.960 -0.001 0.000 0.296 233 G HA3 0.580 4.540 3.960 -0.001 0.000 0.296 233 G C -2.249 172.782 174.900 0.219 0.000 1.369 233 G CA -0.501 44.737 45.100 0.231 0.000 0.937 233 G HN 0.523 nan 8.290 nan 0.000 0.485 234 L N 1.528 122.833 121.223 0.135 0.000 2.528 234 L HA 0.834 5.173 4.340 -0.001 0.000 0.267 234 L C -1.289 175.520 176.870 -0.102 0.000 0.961 234 L CA -0.659 54.176 54.840 -0.008 0.000 0.866 234 L CB 1.383 43.359 42.059 -0.138 0.000 1.248 234 L HN 0.655 nan 8.230 nan 0.000 0.404 235 I N 2.359 122.963 120.570 0.057 0.000 2.841 235 I HA 0.371 4.541 4.170 -0.001 0.000 0.298 235 I C -1.010 174.909 176.117 -0.331 0.000 1.304 235 I CA -0.468 60.757 61.300 -0.125 0.000 1.019 235 I CB 2.371 40.353 38.000 -0.030 0.000 1.282 235 I HN 0.702 nan 8.210 nan 0.000 0.432 236 E N 4.944 124.622 120.200 -0.869 0.000 2.223 236 E HA 0.419 4.769 4.350 -0.001 0.000 0.282 236 E C -1.529 174.838 176.600 -0.389 0.000 1.046 236 E CA -0.407 55.385 56.400 -1.013 0.000 0.857 236 E CB 1.199 30.134 29.700 -1.276 0.000 1.055 236 E HN 0.356 nan 8.360 nan 0.000 0.409 237 V N 7.590 127.359 119.914 -0.242 0.000 2.417 237 V HA 0.347 4.467 4.120 -0.001 0.000 0.291 237 V C -2.124 173.935 176.094 -0.058 0.000 1.024 237 V CA -1.930 60.328 62.300 -0.071 0.000 0.861 237 V CB 1.506 33.338 31.823 0.015 0.000 0.985 237 V HN 0.703 nan 8.190 nan 0.000 0.436 238 P HA 0.295 nan 4.420 nan 0.000 0.275 238 P C -0.550 176.747 177.300 -0.005 0.000 1.227 238 P CA -0.070 63.024 63.100 -0.010 0.000 0.781 238 P CB 1.003 32.709 31.700 0.011 0.000 0.906 239 I N 2.459 123.028 120.570 -0.002 0.000 2.371 239 I HA 0.123 4.293 4.170 -0.001 0.000 0.290 239 I C 1.265 177.393 176.117 0.018 0.000 1.028 239 I CA -0.464 60.834 61.300 -0.004 0.000 1.345 239 I CB 0.406 38.414 38.000 0.013 0.000 1.407 239 I HN 0.260 nan 8.210 nan 0.000 0.501 240 E N 5.790 125.998 120.200 0.013 0.000 2.415 240 E HA -0.021 4.328 4.350 -0.001 0.000 0.262 240 E C -0.008 176.618 176.600 0.044 0.000 1.038 240 E CA 0.060 56.473 56.400 0.022 0.000 0.921 240 E CB 0.158 29.866 29.700 0.014 0.000 0.950 240 E HN 0.516 nan 8.360 nan 0.000 0.438 241 N N 0.484 119.203 118.700 0.032 0.000 2.725 241 N HA -0.197 4.542 4.740 -0.001 0.000 0.249 241 N C -1.032 174.505 175.510 0.044 0.000 1.103 241 N CA 1.502 54.573 53.050 0.035 0.000 0.707 241 N CB -1.492 37.019 38.487 0.040 0.000 1.043 241 N HN 0.553 nan 8.380 nan 0.000 0.553 242 S N -3.024 112.702 115.700 0.043 0.000 2.636 242 S HA 0.517 4.986 4.470 -0.001 0.000 0.268 242 S C -0.408 174.217 174.600 0.041 0.000 1.159 242 S CA -0.834 57.395 58.200 0.049 0.000 0.815 242 S CB 1.654 64.897 63.200 0.072 0.000 1.130 242 S HN -0.160 nan 8.310 nan 0.000 0.471 243 D N 0.502 120.928 120.400 0.043 0.000 2.339 243 D HA 0.270 4.910 4.640 -0.001 0.000 0.217 243 D C -0.034 176.292 176.300 0.043 0.000 1.050 243 D CA 0.308 54.332 54.000 0.040 0.000 0.856 243 D CB 0.254 41.077 40.800 0.039 0.000 0.922 243 D HN 0.244 nan 8.370 nan 0.000 0.518 244 K N 0.545 120.976 120.400 0.050 0.000 2.090 244 K HA 0.483 4.803 4.320 -0.001 0.000 0.249 244 K C 0.497 177.118 176.600 0.034 0.000 0.995 244 K CA -0.317 56.003 56.287 0.054 0.000 0.914 244 K CB 1.812 34.358 32.500 0.076 0.000 1.057 244 K HN 0.041 nan 8.250 nan 0.000 0.462 245 S N 0.016 115.732 115.700 0.027 0.000 2.625 245 S HA 0.646 5.116 4.470 -0.001 0.000 0.271 245 S C -1.108 173.493 174.600 0.002 0.000 1.161 245 S CA -0.988 57.203 58.200 -0.016 0.000 0.820 245 S CB 2.341 65.494 63.200 -0.078 0.000 1.137 245 S HN 0.299 nan 8.310 nan 0.000 0.470 246 K N -0.054 120.329 120.400 -0.029 0.000 2.443 246 K HA 0.399 4.718 4.320 -0.001 0.000 0.251 246 K C -1.664 174.923 176.600 -0.022 0.000 0.972 246 K CA -0.310 56.010 56.287 0.056 0.000 0.833 246 K CB 1.468 34.030 32.500 0.103 0.000 1.317 246 K HN 0.791 nan 8.250 nan 0.000 0.441 247 W N 0.943 122.356 121.300 0.188 0.000 2.272 247 W HA 0.335 4.995 4.660 -0.001 0.000 0.318 247 W C -0.004 176.635 176.519 0.201 0.000 1.255 247 W CA -0.380 57.087 57.345 0.203 0.000 1.200 247 W CB 0.945 30.602 29.460 0.328 0.000 1.170 247 W HN -0.014 nan 8.180 nan 0.000 0.549 248 V N 5.355 125.392 119.914 0.206 0.000 2.444 248 V HA 0.280 4.400 4.120 -0.001 0.000 0.294 248 V C -0.320 175.610 176.094 -0.274 0.000 1.022 248 V CA -1.141 61.131 62.300 -0.046 0.000 0.850 248 V CB 1.388 33.064 31.823 -0.245 0.000 0.992 248 V HN 0.450 nan 8.190 nan 0.000 0.426 249 M N 6.015 125.347 119.600 -0.447 0.000 2.108 249 M HA 0.613 5.093 4.480 -0.001 0.000 0.354 249 M C -1.247 174.951 176.300 -0.170 0.000 1.229 249 M CA 0.164 55.205 55.300 -0.432 0.000 1.081 249 M CB 0.371 32.440 32.600 -0.885 0.000 1.606 249 M HN 0.428 nan 8.290 nan 0.000 0.467 250 F N 5.211 125.236 119.950 0.124 0.000 2.432 250 F HA 0.743 5.269 4.527 -0.001 0.000 0.329 250 F C -0.702 175.214 175.800 0.192 0.000 1.076 250 F CA -0.703 57.411 58.000 0.191 0.000 1.018 250 F CB 1.463 40.597 39.000 0.222 0.000 1.201 250 F HN 0.482 nan 8.300 nan 0.000 0.489 251 L N 2.323 123.774 121.223 0.380 0.000 2.543 251 L HA 0.762 5.102 4.340 -0.001 0.000 0.265 251 L C -1.243 175.770 176.870 0.238 0.000 0.945 251 L CA -0.562 54.422 54.840 0.241 0.000 0.869 251 L CB 1.434 43.612 42.059 0.199 0.000 1.294 251 L HN 0.658 nan 8.230 nan 0.000 0.405 252 A N 5.545 128.475 122.820 0.183 0.000 2.306 252 A HA 0.857 5.176 4.320 -0.001 0.000 0.314 252 A C -0.554 177.260 177.584 0.384 0.000 1.164 252 A CA -0.415 51.756 52.037 0.223 0.000 0.822 252 A CB 0.544 19.447 19.000 -0.162 0.000 1.130 252 A HN 0.933 nan 8.150 nan 0.000 0.496 253 I N -0.317 120.598 120.570 0.575 0.000 2.582 253 I HA 0.849 5.019 4.170 -0.001 0.000 0.292 253 I C -0.896 175.494 176.117 0.455 0.000 1.066 253 I CA -0.848 60.762 61.300 0.517 0.000 1.053 253 I CB 2.446 40.740 38.000 0.491 0.000 1.241 253 I HN 0.591 nan 8.210 nan 0.000 0.421 254 N N 5.539 124.439 118.700 0.334 0.000 2.647 254 N HA 0.540 5.279 4.740 -0.001 0.000 0.259 254 N C -3.045 172.518 175.510 0.088 0.000 1.098 254 N CA -0.874 52.254 53.050 0.130 0.000 0.984 254 N CB 2.893 41.376 38.487 -0.007 0.000 1.683 254 N HN 0.430 nan 8.380 nan 0.000 0.501 255 P HA 0.379 nan 4.420 nan 0.000 0.312 255 P C 0.218 177.592 177.300 0.124 0.000 1.308 255 P CA 0.565 63.683 63.100 0.030 0.000 0.743 255 P CB 0.408 32.090 31.700 -0.030 0.000 1.364 256 G N -1.893 106.978 108.800 0.118 0.000 2.131 256 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.223 256 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.223 256 G C 0.318 175.389 174.900 0.285 0.000 0.990 256 G CA 0.214 45.440 45.100 0.209 0.000 0.671 256 G HN 0.763 nan 8.290 nan 0.000 0.521 257 S N 0.975 116.760 115.700 0.142 0.000 2.558 257 S HA 0.404 4.874 4.470 -0.001 0.000 0.288 257 S C 0.220 174.774 174.600 -0.078 0.000 1.318 257 S CA -0.054 58.143 58.200 -0.005 0.000 1.056 257 S CB 1.058 64.194 63.200 -0.106 0.000 0.853 257 S HN 0.203 nan 8.310 nan 0.000 0.505 258 P HA -0.021 nan 4.420 nan 0.000 0.230 258 P C 0.764 177.982 177.300 -0.137 0.000 1.158 258 P CA 0.583 63.556 63.100 -0.213 0.000 0.769 258 P CB 0.072 31.538 31.700 -0.389 0.000 0.807 259 L N -1.202 119.903 121.223 -0.197 0.000 2.592 259 L HA 0.388 4.728 4.340 -0.001 0.000 0.227 259 L C 1.010 177.860 176.870 -0.032 0.000 1.127 259 L CA 0.687 55.458 54.840 -0.115 0.000 0.884 259 L CB -0.834 41.124 42.059 -0.169 0.000 1.065 259 L HN 0.059 nan 8.230 nan 0.000 0.457 260 G N -1.480 107.310 108.800 -0.017 0.000 3.338 260 G HA2 0.378 4.338 3.960 -0.001 0.000 0.686 260 G HA3 0.378 4.338 3.960 -0.001 0.000 0.686 260 G C 0.410 175.302 174.900 -0.014 0.000 1.053 260 G CA -0.462 44.663 45.100 0.041 0.000 0.852 260 G HN 0.693 nan 8.290 nan 0.000 0.545 261 G N 1.261 110.040 108.800 -0.035 0.000 2.552 261 G HA2 0.274 4.234 3.960 -0.001 0.000 0.267 261 G HA3 0.274 4.234 3.960 -0.001 0.000 0.267 261 G C 0.746 175.588 174.900 -0.097 0.000 1.174 261 G CA 1.174 46.219 45.100 -0.092 0.000 0.955 261 G HN 2.732 nan 8.290 nan 0.000 0.546 262 S N -0.058 115.524 115.700 -0.196 0.000 2.537 262 S HA 0.852 5.321 4.470 -0.001 0.000 0.301 262 S C -0.383 174.150 174.600 -0.112 0.000 1.092 262 S CA 0.046 58.047 58.200 -0.333 0.000 1.048 262 S CB 2.493 65.130 63.200 -0.937 0.000 1.053 262 S HN 1.534 nan 8.310 nan 0.000 0.501 263 I N 0.966 121.643 120.570 0.178 0.000 2.947 263 I HA 0.380 4.550 4.170 -0.001 0.000 0.301 263 I C -1.811 174.605 176.117 0.498 0.000 1.453 263 I CA -0.641 60.820 61.300 0.268 0.000 0.984 263 I CB 2.184 40.131 38.000 -0.088 0.000 1.333 263 I HN 0.669 nan 8.210 nan 0.000 0.475 264 N N 4.691 123.667 118.700 0.460 0.000 2.405 264 N HA 0.462 5.201 4.740 -0.001 0.000 0.299 264 N C -1.636 174.179 175.510 0.508 0.000 1.075 264 N CA -0.392 52.932 53.050 0.457 0.000 0.884 264 N CB 1.988 40.745 38.487 0.449 0.000 1.194 264 N HN 0.545 nan 8.380 nan 0.000 0.491 265 Q N 1.098 121.139 119.800 0.401 0.000 2.528 265 Q HA 0.557 4.897 4.340 -0.001 0.000 0.289 265 Q C -1.518 174.521 176.000 0.066 0.000 1.091 265 Q CA -0.898 55.016 55.803 0.185 0.000 0.797 265 Q CB 2.228 30.940 28.738 -0.043 0.000 1.466 265 Q HN 0.603 nan 8.270 nan 0.000 0.436 266 Y N -1.674 118.376 120.300 -0.417 0.000 2.625 266 Y HA 0.808 5.358 4.550 -0.001 0.000 0.338 266 Y C -1.971 173.484 175.900 -0.742 0.000 1.123 266 Y CA -1.441 56.344 58.100 -0.525 0.000 1.046 266 Y CB 1.605 39.780 38.460 -0.476 0.000 1.299 266 Y HN 0.564 nan 8.280 nan 0.000 0.464 267 F N 0.962 120.927 119.950 0.026 0.000 2.578 267 F HA 0.685 5.212 4.527 -0.001 0.000 0.311 267 F C -1.004 174.964 175.800 0.280 0.000 1.094 267 F CA -1.329 56.756 58.000 0.141 0.000 0.923 267 F CB 2.347 41.556 39.000 0.349 0.000 1.230 267 F HN 0.394 nan 8.300 nan 0.000 0.450 268 V N 1.935 122.127 119.914 0.463 0.000 2.459 268 V HA 0.956 5.076 4.120 -0.001 0.000 0.295 268 V C 0.111 176.406 176.094 0.335 0.000 1.029 268 V CA -0.113 62.416 62.300 0.381 0.000 0.874 268 V CB 0.973 32.944 31.823 0.247 0.000 0.985 268 V HN 1.064 nan 8.190 nan 0.000 0.438 269 G N 3.498 112.504 108.800 0.343 0.000 2.619 269 G HA2 0.441 4.400 3.960 -0.001 0.000 0.146 269 G HA3 0.441 4.400 3.960 -0.001 0.000 0.146 269 G C -1.999 173.024 174.900 0.205 0.000 1.192 269 G CA -0.150 44.984 45.100 0.057 0.000 1.063 269 G HN 0.554 nan 8.290 nan 0.000 0.538 270 D N -1.250 119.158 120.400 0.014 0.000 2.581 270 D HA 0.736 5.375 4.640 -0.001 0.000 0.232 270 D C -1.939 174.439 176.300 0.130 0.000 1.143 270 D CA -0.379 53.757 54.000 0.226 0.000 0.881 270 D CB 2.486 43.365 40.800 0.132 0.000 1.500 270 D HN 0.265 nan 8.370 nan 0.000 0.458 271 F N 1.767 121.578 119.950 -0.232 0.000 2.581 271 F HA 0.301 4.827 4.527 -0.001 0.000 0.311 271 F C -0.382 175.175 175.800 -0.406 0.000 1.113 271 F CA -0.892 56.803 58.000 -0.508 0.000 0.935 271 F CB 1.827 40.146 39.000 -1.136 0.000 1.232 271 F HN 0.253 nan 8.300 nan 0.000 0.445 272 D N 1.741 121.604 120.400 -0.896 0.000 2.433 272 D HA 0.294 4.934 4.640 -0.001 0.000 0.211 272 D C 1.403 177.206 176.300 -0.829 0.000 1.114 272 D CA 0.598 54.275 54.000 -0.537 0.000 0.837 272 D CB 0.558 41.260 40.800 -0.163 0.000 0.984 272 D HN 1.000 nan 8.370 nan 0.000 0.505 273 G N -0.366 107.143 108.800 -2.152 0.000 2.195 273 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.224 273 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.224 273 G C 0.527 174.523 174.900 -1.507 0.000 0.990 273 G CA 0.269 44.229 45.100 -1.900 0.000 0.639 273 G HN 0.362 nan 8.290 nan 0.000 0.514 274 F N 0.668 120.210 119.950 -0.680 0.000 2.496 274 F HA 0.361 4.887 4.527 -0.001 0.000 0.274 274 F C 1.271 177.056 175.800 -0.025 0.000 0.924 274 F CA 0.604 58.476 58.000 -0.212 0.000 1.147 274 F CB 0.281 39.179 39.000 -0.169 0.000 0.969 274 F HN 0.360 nan 8.300 nan 0.000 0.749 275 Q N 0.129 120.001 119.800 0.120 0.000 2.397 275 Q HA 0.407 4.747 4.340 -0.001 0.000 0.275 275 Q C -1.583 174.591 176.000 0.290 0.000 1.090 275 Q CA -0.907 55.023 55.803 0.212 0.000 0.809 275 Q CB 2.598 31.416 28.738 0.133 0.000 1.362 275 Q HN 0.130 nan 8.270 nan 0.000 0.431 276 F N 2.157 122.181 119.950 0.123 0.000 2.411 276 F HA 0.519 5.045 4.527 -0.001 0.000 0.350 276 F C -1.282 174.439 175.800 -0.132 0.000 1.114 276 F CA -0.681 57.302 58.000 -0.028 0.000 1.135 276 F CB 1.284 40.088 39.000 -0.326 0.000 1.120 276 F HN 0.380 nan 8.300 nan 0.000 0.495 277 V N 8.658 128.116 119.914 -0.760 0.000 2.326 277 V HA 0.344 4.463 4.120 -0.001 0.000 0.281 277 V C -2.097 173.500 176.094 -0.828 0.000 1.015 277 V CA -1.764 60.184 62.300 -0.586 0.000 0.823 277 V CB 0.983 32.670 31.823 -0.227 0.000 1.009 277 V HN 0.644 nan 8.190 nan 0.000 0.436 278 P HA 0.197 nan 4.420 nan 0.000 0.272 278 P C -0.035 177.203 177.300 -0.103 0.000 1.223 278 P CA -0.113 62.776 63.100 -0.351 0.000 0.784 278 P CB 1.355 33.098 31.700 0.072 0.000 0.923 279 D N 0.186 120.585 120.400 -0.001 0.000 2.269 279 D HA -0.050 4.590 4.640 -0.001 0.000 0.208 279 D C 0.517 176.856 176.300 0.065 0.000 0.963 279 D CA 1.556 55.580 54.000 0.041 0.000 0.864 279 D CB 0.096 40.941 40.800 0.076 0.000 0.936 279 D HN 0.580 nan 8.370 nan 0.000 0.505 280 D N -2.431 118.026 120.400 0.095 0.000 2.752 280 D HA 0.201 4.841 4.640 -0.001 0.000 0.313 280 D C -0.335 176.050 176.300 0.142 0.000 1.225 280 D CA -0.683 53.377 54.000 0.100 0.000 0.976 280 D CB 0.494 41.348 40.800 0.090 0.000 1.443 280 D HN -0.191 nan 8.370 nan 0.000 0.515 281 S N -1.873 113.903 115.700 0.126 0.000 2.624 281 S HA 0.165 4.634 4.470 -0.001 0.000 0.246 281 S C 0.073 174.756 174.600 0.138 0.000 1.072 281 S CA -0.684 57.609 58.200 0.156 0.000 1.045 281 S CB -0.708 62.557 63.200 0.109 0.000 0.851 281 S HN 0.611 nan 8.310 nan 0.000 0.480 282 Q N 0.603 120.468 119.800 0.108 0.000 2.260 282 Q HA 0.517 4.857 4.340 -0.001 0.000 0.242 282 Q C -0.956 175.025 176.000 -0.032 0.000 0.932 282 Q CA -0.406 55.416 55.803 0.031 0.000 0.891 282 Q CB 0.646 29.380 28.738 -0.006 0.000 1.222 282 Q HN 0.090 nan 8.270 nan 0.000 0.453 283 T N 2.647 117.127 114.554 -0.124 0.000 2.767 283 T HA 0.507 4.857 4.350 -0.001 0.000 0.284 283 T C -0.688 173.700 174.700 -0.520 0.000 0.973 283 T CA -0.618 61.295 62.100 -0.311 0.000 0.996 283 T CB 0.632 69.383 68.868 -0.195 0.000 0.927 283 T HN 0.499 nan 8.240 nan 0.000 0.456 284 R N 1.874 121.898 120.500 -0.792 0.000 2.673 284 R HA 0.507 4.847 4.340 -0.001 0.000 0.281 284 R C -1.233 174.608 176.300 -0.765 0.000 0.991 284 R CA -0.728 54.908 56.100 -0.773 0.000 0.896 284 R CB 1.924 31.745 30.300 -0.799 0.000 1.201 284 R HN 0.481 nan 8.270 nan 0.000 0.457 285 F N 0.573 120.487 119.950 -0.060 0.000 2.397 285 F HA 0.199 4.725 4.527 -0.001 0.000 0.331 285 F C 1.603 177.545 175.800 0.236 0.000 1.090 285 F CA -0.787 57.257 58.000 0.073 0.000 1.065 285 F CB 1.351 40.379 39.000 0.047 0.000 1.184 285 F HN 0.213 nan 8.300 nan 0.000 0.499 286 V N -0.290 119.897 119.914 0.455 0.000 2.453 286 V HA -0.142 3.977 4.120 -0.001 0.000 0.247 286 V C 0.263 176.369 176.094 0.020 0.000 1.048 286 V CA 1.632 64.090 62.300 0.262 0.000 1.049 286 V CB -0.383 31.565 31.823 0.208 0.000 0.672 286 V HN 0.741 nan 8.190 nan 0.000 0.457 287 D N -0.704 119.699 120.400 0.006 0.000 2.990 287 D HA 0.247 4.887 4.640 -0.001 0.000 0.227 287 D C -0.162 176.136 176.300 -0.004 0.000 1.249 287 D CA -0.474 53.417 54.000 -0.180 0.000 0.891 287 D CB 2.373 42.789 40.800 -0.641 0.000 1.647 287 D HN 0.273 nan 8.370 nan 0.000 0.530 288 I N 0.832 121.409 120.570 0.012 0.000 3.884 288 I HA 0.456 4.626 4.170 -0.001 0.000 0.330 288 I C 0.749 176.872 176.117 0.010 0.000 1.451 288 I CA -0.623 60.698 61.300 0.034 0.000 1.165 288 I CB 0.512 38.575 38.000 0.106 0.000 1.097 288 I HN 0.136 nan 8.210 nan 0.000 0.404 289 G N 1.098 109.891 108.800 -0.012 0.000 2.547 289 G HA2 0.217 4.176 3.960 -0.001 0.000 0.291 289 G HA3 0.217 4.176 3.960 -0.001 0.000 0.291 289 G C 0.324 175.221 174.900 -0.004 0.000 1.211 289 G CA -0.533 44.565 45.100 -0.005 0.000 0.950 289 G HN 0.175 nan 8.290 nan 0.000 0.504 290 K N -1.002 119.395 120.400 -0.005 0.000 2.296 290 K HA 0.042 4.361 4.320 -0.001 0.000 0.200 290 K C 0.120 176.713 176.600 -0.012 0.000 1.048 290 K CA 0.838 57.123 56.287 -0.004 0.000 0.966 290 K CB 0.369 32.883 32.500 0.024 0.000 0.754 290 K HN 0.334 nan 8.250 nan 0.000 0.466 291 D N -0.138 120.272 120.400 0.016 0.000 2.795 291 D HA 0.105 4.744 4.640 -0.001 0.000 0.335 291 D C -1.384 174.945 176.300 0.049 0.000 1.262 291 D CA -0.153 53.823 54.000 -0.040 0.000 0.885 291 D CB 0.142 40.934 40.800 -0.012 0.000 1.047 291 D HN 0.022 nan 8.370 nan 0.000 0.500 292 F N 2.227 122.139 119.950 -0.063 0.000 3.034 292 F HA 0.312 4.838 4.527 -0.001 0.000 0.371 292 F C -2.014 173.880 175.800 0.156 0.000 1.233 292 F CA -0.824 57.193 58.000 0.029 0.000 1.134 292 F CB 0.952 39.976 39.000 0.041 0.000 1.495 292 F HN -0.111 nan 8.300 nan 0.000 0.563 293 Y N 4.070 124.239 120.300 -0.218 0.000 2.553 293 Y HA 0.599 5.149 4.550 -0.000 0.000 0.347 293 Y C 0.113 176.042 175.900 0.048 0.000 1.019 293 Y CA -0.764 57.324 58.100 -0.020 0.000 1.032 293 Y CB 2.284 40.743 38.460 -0.001 0.000 1.284 293 Y HN 0.787 nan 8.280 nan 0.000 0.466 294 A N 3.814 126.228 122.820 -0.677 0.000 2.800 294 A HA -0.289 4.031 4.320 -0.001 0.000 0.292 294 A C -0.371 177.083 177.584 -0.217 0.000 1.474 294 A CA 0.798 52.567 52.037 -0.448 0.000 0.744 294 A CB -2.627 16.249 19.000 -0.208 0.000 1.044 294 A HN 0.943 nan 8.150 nan 0.000 0.489 295 F N 0.174 119.922 119.950 -0.336 0.000 2.572 295 F HA 0.462 4.989 4.527 -0.001 0.000 0.370 295 F C 0.521 176.139 175.800 -0.302 0.000 1.103 295 F CA 1.573 59.367 58.000 -0.343 0.000 1.286 295 F CB 0.440 39.287 39.000 -0.255 0.000 1.105 295 F HN 0.637 nan 8.300 nan 0.000 0.583 296 Q N 3.712 122.829 119.800 -1.138 0.000 2.379 296 Q HA 0.384 4.723 4.340 -0.001 0.000 0.278 296 Q C -1.174 174.098 176.000 -1.213 0.000 1.068 296 Q CA -0.920 54.304 55.803 -0.965 0.000 0.816 296 Q CB 2.025 30.445 28.738 -0.531 0.000 1.387 296 Q HN 0.800 nan 8.270 nan 0.000 0.413 297 T N -0.455 113.616 114.554 -0.805 0.000 2.922 297 T HA 0.515 4.865 4.350 -0.001 0.000 0.285 297 T C -0.162 174.416 174.700 -0.203 0.000 1.005 297 T CA -0.460 61.375 62.100 -0.442 0.000 1.061 297 T CB 0.361 69.106 68.868 -0.205 0.000 1.007 297 T HN 0.308 nan 8.240 nan 0.000 0.502 298 F N 1.562 121.534 119.950 0.037 0.000 2.484 298 F HA 0.354 4.881 4.527 -0.001 0.000 0.360 298 F C 1.410 177.370 175.800 0.268 0.000 1.101 298 F CA -0.173 57.963 58.000 0.227 0.000 1.251 298 F CB 0.641 39.869 39.000 0.380 0.000 1.132 298 F HN 0.578 nan 8.300 nan 0.000 0.570 299 S N 2.327 118.328 115.700 0.503 0.000 2.601 299 S HA 0.217 4.687 4.470 -0.001 0.000 0.271 299 S C 0.028 174.929 174.600 0.502 0.000 1.305 299 S CA -0.622 57.853 58.200 0.458 0.000 1.022 299 S CB 0.772 64.231 63.200 0.431 0.000 0.940 299 S HN 0.653 nan 8.310 nan 0.000 0.525 300 E N -1.534 118.913 120.200 0.411 0.000 2.957 300 E HA -0.138 4.211 4.350 -0.001 0.000 0.287 300 E C -0.754 176.024 176.600 0.297 0.000 0.976 300 E CA 0.297 56.919 56.400 0.369 0.000 0.907 300 E CB -2.513 27.439 29.700 0.420 0.000 1.456 300 E HN 0.340 nan 8.360 nan 0.000 0.421 301 V N 1.102 121.175 119.914 0.265 0.000 2.455 301 V HA 0.195 4.314 4.120 -0.001 0.000 0.273 301 V C 0.746 176.875 176.094 0.058 0.000 1.045 301 V CA -0.068 62.332 62.300 0.167 0.000 0.976 301 V CB 1.374 33.346 31.823 0.248 0.000 0.993 301 V HN 0.058 nan 8.190 nan 0.000 0.475 302 E N 4.299 124.457 120.200 -0.071 0.000 2.249 302 E HA 0.408 4.758 4.350 -0.001 0.000 0.280 302 E C -0.419 175.991 176.600 -0.317 0.000 1.016 302 E CA -0.107 56.123 56.400 -0.284 0.000 0.830 302 E CB 0.273 29.697 29.700 -0.460 0.000 1.081 302 E HN 0.702 nan 8.360 nan 0.000 0.395 303 H N 1.565 120.659 119.070 0.041 0.000 3.371 303 H HA -0.063 4.492 4.556 -0.001 0.000 0.368 303 H C 0.514 175.864 175.328 0.036 0.000 1.178 303 H CA 0.658 56.722 56.048 0.027 0.000 1.191 303 H CB -1.729 28.039 29.762 0.010 0.000 1.547 303 H HN 0.963 nan 8.280 nan 0.000 0.411 304 G N -0.818 108.056 108.800 0.124 0.000 2.568 304 G HA2 -0.026 3.933 3.960 -0.001 0.000 0.222 304 G HA3 -0.026 3.933 3.960 -0.001 0.000 0.222 304 G C -0.819 174.150 174.900 0.115 0.000 1.321 304 G CA -0.313 44.848 45.100 0.102 0.000 0.893 304 G HN 0.896 nan 8.290 nan 0.000 0.569 305 V N 0.377 120.380 119.914 0.149 0.000 2.525 305 V HA 0.676 4.796 4.120 -0.001 0.000 0.299 305 V C -0.565 175.700 176.094 0.285 0.000 1.034 305 V CA -0.711 61.709 62.300 0.201 0.000 0.863 305 V CB 1.443 33.388 31.823 0.203 0.000 0.999 305 V HN 0.787 nan 8.190 nan 0.000 0.423 306 L N 3.714 125.111 121.223 0.290 0.000 2.362 306 L HA 1.037 5.376 4.340 -0.001 0.000 0.271 306 L C 0.423 177.562 176.870 0.449 0.000 1.002 306 L CA 0.137 55.178 54.840 0.334 0.000 0.818 306 L CB 1.861 43.980 42.059 0.100 0.000 1.298 306 L HN 0.831 nan 8.230 nan 0.000 0.420 307 G N 1.709 110.814 108.800 0.509 0.000 2.608 307 G HA2 0.713 4.672 3.960 -0.001 0.000 0.291 307 G HA3 0.713 4.672 3.960 -0.001 0.000 0.291 307 G C -2.109 173.013 174.900 0.370 0.000 1.425 307 G CA -0.455 44.754 45.100 0.183 0.000 0.787 307 G HN 0.571 nan 8.290 nan 0.000 0.484 308 L N -2.787 118.432 121.223 -0.006 0.000 2.630 308 L HA 1.048 5.388 4.340 -0.001 0.000 0.258 308 L C -0.138 176.681 176.870 -0.084 0.000 1.072 308 L CA -1.451 53.489 54.840 0.167 0.000 0.885 308 L CB 1.105 43.259 42.059 0.159 0.000 1.502 308 L HN 1.479 nan 8.230 nan 0.000 0.406 309 A N -0.806 121.918 122.820 -0.160 0.000 2.486 309 A HA 0.745 5.064 4.320 -0.001 0.000 0.289 309 A C -2.072 175.413 177.584 -0.166 0.000 1.176 309 A CA -0.489 51.318 52.037 -0.383 0.000 0.757 309 A CB 1.038 19.315 19.000 -1.205 0.000 1.337 309 A HN 0.975 nan 8.150 nan 0.000 0.423 310 W N 1.474 122.595 121.300 -0.298 0.000 2.356 310 W HA 0.507 5.167 4.660 -0.001 0.000 0.311 310 W C 0.180 176.602 176.519 -0.162 0.000 1.328 310 W CA -0.508 56.709 57.345 -0.213 0.000 1.251 310 W CB 0.653 29.999 29.460 -0.190 0.000 1.280 310 W HN 0.794 nan 8.180 nan 0.000 0.524 311 A N 5.452 128.133 122.820 -0.233 0.000 3.168 311 A HA 0.507 4.826 4.320 -0.001 0.000 0.260 311 A C 0.040 177.352 177.584 -0.453 0.000 1.598 311 A CA 0.145 52.031 52.037 -0.252 0.000 1.285 311 A CB -0.388 18.575 19.000 -0.062 0.000 1.149 311 A HN 0.506 nan 8.150 nan 0.000 0.630 312 S N 0.008 115.155 115.700 -0.922 0.000 2.757 312 S HA 0.539 5.008 4.470 -0.001 0.000 0.285 312 S C -1.734 172.274 174.600 -0.987 0.000 1.196 312 S CA -0.739 56.961 58.200 -0.833 0.000 0.856 312 S CB 1.253 63.952 63.200 -0.836 0.000 1.212 312 S HN 0.560 nan 8.310 nan 0.000 0.516 313 N N -0.089 118.107 118.700 -0.841 0.000 2.295 313 N HA 0.255 4.995 4.740 -0.001 0.000 0.293 313 N C -0.171 174.934 175.510 -0.674 0.000 1.040 313 N CA -0.487 52.091 53.050 -0.786 0.000 0.840 313 N CB 0.984 39.033 38.487 -0.730 0.000 1.468 313 N HN 0.808 nan 8.380 nan 0.000 0.478 314 W N 1.897 122.962 121.300 -0.393 0.000 2.359 314 W HA -0.119 4.540 4.660 -0.001 0.000 0.275 314 W C 2.010 178.410 176.519 -0.199 0.000 1.217 314 W CA 0.425 57.698 57.345 -0.119 0.000 1.196 314 W CB 0.338 29.747 29.460 -0.086 0.000 1.129 314 W HN 0.614 nan 8.180 nan 0.000 0.566 315 Q N -1.415 118.288 119.800 -0.162 0.000 2.124 315 Q HA -0.220 4.119 4.340 -0.001 0.000 0.202 315 Q C 1.040 177.080 176.000 0.067 0.000 0.977 315 Q CA 1.904 57.607 55.803 -0.166 0.000 0.850 315 Q CB -0.264 28.369 28.738 -0.174 0.000 0.901 315 Q HN 0.647 nan 8.270 nan 0.000 0.429 316 Y N -5.628 114.821 120.300 0.249 0.000 2.666 316 Y HA 0.607 5.156 4.550 -0.001 0.000 0.260 316 Y C 1.395 177.424 175.900 0.215 0.000 1.089 316 Y CA -0.125 58.151 58.100 0.294 0.000 1.246 316 Y CB -0.571 38.165 38.460 0.460 0.000 1.353 316 Y HN -0.065 nan 8.280 nan 0.000 0.558 317 A N 1.763 124.713 122.820 0.217 0.000 1.927 317 A HA -0.275 4.044 4.320 -0.001 0.000 0.220 317 A C 1.710 179.566 177.584 0.452 0.000 1.185 317 A CA 2.411 54.631 52.037 0.305 0.000 0.639 317 A CB -0.847 18.350 19.000 0.328 0.000 0.820 317 A HN 0.595 nan 8.150 nan 0.000 0.451 318 D N -1.827 118.825 120.400 0.421 0.000 2.319 318 D HA 0.014 4.653 4.640 -0.001 0.000 0.230 318 D C 1.104 177.481 176.300 0.129 0.000 1.094 318 D CA 0.339 54.513 54.000 0.289 0.000 0.856 318 D CB -0.032 40.756 40.800 -0.019 0.000 0.915 318 D HN 0.396 nan 8.370 nan 0.000 0.517 319 Q N 0.127 119.983 119.800 0.094 0.000 2.214 319 Q HA 0.153 4.492 4.340 -0.001 0.000 0.229 319 Q C 0.792 176.598 176.000 -0.324 0.000 0.835 319 Q CA 0.011 55.818 55.803 0.007 0.000 0.953 319 Q CB 1.357 30.212 28.738 0.196 0.000 1.131 319 Q HN 0.389 nan 8.270 nan 0.000 0.501 320 V N 1.069 120.636 119.914 -0.578 0.000 2.843 320 V HA 0.205 4.324 4.120 -0.001 0.000 0.305 320 V C -2.023 173.469 176.094 -1.002 0.000 1.065 320 V CA -1.337 60.167 62.300 -1.327 0.000 1.116 320 V CB 0.198 31.210 31.823 -1.352 0.000 0.968 320 V HN 0.010 nan 8.190 nan 0.000 0.487 321 P HA 0.192 nan 4.420 nan 0.000 0.218 321 P C 0.015 177.059 177.300 -0.426 0.000 1.793 321 P CA 0.080 62.861 63.100 -0.532 0.000 0.941 321 P CB -0.680 30.827 31.700 -0.322 0.000 1.919 322 T N -1.242 112.973 114.554 -0.566 0.000 2.888 322 T HA 0.653 5.003 4.350 -0.001 0.000 0.284 322 T C -0.608 173.697 174.700 -0.659 0.000 1.017 322 T CA -0.864 60.765 62.100 -0.786 0.000 1.022 322 T CB 1.872 69.861 68.868 -1.465 0.000 1.013 322 T HN 0.041 nan 8.240 nan 0.000 0.465 323 N N 1.296 119.685 118.700 -0.517 0.000 2.555 323 N HA 0.451 5.191 4.740 -0.001 0.000 0.265 323 N C -2.828 172.766 175.510 0.139 0.000 1.135 323 N CA -1.627 51.328 53.050 -0.159 0.000 0.925 323 N CB 2.352 40.795 38.487 -0.074 0.000 1.662 323 N HN 0.356 nan 8.380 nan 0.000 0.489 324 P HA 0.214 nan 4.420 nan 0.000 0.249 324 P C -1.154 176.299 177.300 0.255 0.000 1.583 324 P CA 0.052 63.259 63.100 0.178 0.000 0.988 324 P CB -0.729 31.065 31.700 0.157 0.000 1.530 325 W N 0.015 121.308 121.300 -0.012 0.000 2.975 325 W HA 0.690 5.350 4.660 -0.000 0.000 0.342 325 W C -1.283 175.237 176.519 0.001 0.000 1.168 325 W CA -1.158 56.183 57.345 -0.006 0.000 1.141 325 W CB 1.294 30.702 29.460 -0.087 0.000 1.445 325 W HN -0.393 nan 8.180 nan 0.000 0.560 326 R N 2.535 122.907 120.500 -0.213 0.000 2.628 326 R HA 0.642 4.982 4.340 -0.001 0.000 0.288 326 R C -1.247 174.969 176.300 -0.140 0.000 0.980 326 R CA -0.898 54.988 56.100 -0.356 0.000 0.891 326 R CB 2.039 32.345 30.300 0.010 0.000 1.188 326 R HN 0.783 nan 8.270 nan 0.000 0.450 327 S N 0.306 115.970 115.700 -0.060 0.000 2.915 327 S HA -0.133 4.336 4.470 -0.001 0.000 0.856 327 S C -0.695 173.971 174.600 0.110 0.000 0.921 327 S CA 0.081 58.311 58.200 0.049 0.000 1.422 327 S CB -0.424 62.741 63.200 -0.058 0.000 1.018 327 S HN 0.855 nan 8.310 nan 0.000 0.230 328 S N 1.063 116.801 115.700 0.063 0.000 2.677 328 S HA 0.920 5.390 4.470 -0.001 0.000 0.304 328 S C 0.193 174.809 174.600 0.027 0.000 1.108 328 S CA -0.045 58.136 58.200 -0.033 0.000 0.944 328 S CB 1.737 64.911 63.200 -0.042 0.000 1.127 328 S HN 1.465 nan 8.310 nan 0.000 0.511 329 T N 0.281 114.840 114.554 0.009 0.000 2.816 329 T HA 0.552 4.902 4.350 -0.001 0.000 0.282 329 T C 0.755 175.556 174.700 0.168 0.000 0.993 329 T CA -0.253 61.877 62.100 0.050 0.000 0.994 329 T CB 0.456 69.305 68.868 -0.032 0.000 1.025 329 T HN 1.146 nan 8.240 nan 0.000 0.529 330 S N 0.603 116.411 115.700 0.180 0.000 2.617 330 S HA 0.375 4.844 4.470 -0.001 0.000 0.259 330 S C 0.421 175.202 174.600 0.302 0.000 1.301 330 S CA -1.057 57.352 58.200 0.349 0.000 0.984 330 S CB -0.279 63.163 63.200 0.404 0.000 0.954 330 S HN 0.645 nan 8.310 nan 0.000 0.572 331 L N 1.170 122.533 121.223 0.232 0.000 2.482 331 L HA 0.301 4.641 4.340 -0.001 0.000 0.273 331 L C 1.118 178.093 176.870 0.174 0.000 1.228 331 L CA -0.365 54.501 54.840 0.044 0.000 0.827 331 L CB -0.124 41.931 42.059 -0.006 0.000 1.099 331 L HN 0.945 nan 8.230 nan 0.000 0.494 332 A N 3.478 126.368 122.820 0.117 0.000 2.462 332 A HA 0.400 4.719 4.320 -0.001 0.000 0.243 332 A C -0.001 177.648 177.584 0.108 0.000 1.076 332 A CA 0.005 52.132 52.037 0.149 0.000 0.773 332 A CB 0.145 19.123 19.000 -0.037 0.000 1.010 332 A HN 0.783 nan 8.150 nan 0.000 0.493 333 R N 1.276 121.912 120.500 0.227 0.000 2.807 333 R HA 0.380 4.720 4.340 -0.001 0.000 0.276 333 R C -0.914 175.401 176.300 0.025 0.000 0.979 333 R CA -0.964 55.172 56.100 0.060 0.000 0.928 333 R CB 1.481 31.802 30.300 0.034 0.000 1.191 333 R HN 0.750 nan 8.270 nan 0.000 0.471 334 N N 1.626 120.209 118.700 -0.195 0.000 2.425 334 N HA 0.195 4.935 4.740 -0.001 0.000 0.268 334 N C -1.579 173.785 175.510 -0.243 0.000 0.991 334 N CA -0.216 52.771 53.050 -0.104 0.000 0.931 334 N CB 0.719 39.131 38.487 -0.125 0.000 1.130 334 N HN 0.407 nan 8.380 nan 0.000 0.493 335 Y N 1.216 121.545 120.300 0.049 0.000 2.331 335 Y HA 0.339 4.888 4.550 -0.001 0.000 0.338 335 Y C 0.946 176.858 175.900 0.020 0.000 0.976 335 Y CA -0.395 57.733 58.100 0.047 0.000 1.137 335 Y CB 1.499 40.033 38.460 0.123 0.000 1.172 335 Y HN 0.423 nan 8.280 nan 0.000 0.478 336 T N 0.681 115.283 114.554 0.080 0.000 2.864 336 T HA 0.816 5.165 4.350 -0.001 0.000 0.289 336 T C -1.119 173.587 174.700 0.009 0.000 1.082 336 T CA -1.056 61.065 62.100 0.035 0.000 1.009 336 T CB 1.473 70.336 68.868 -0.008 0.000 1.234 336 T HN 0.413 nan 8.240 nan 0.000 0.526 337 L N 0.532 121.743 121.223 -0.021 0.000 2.365 337 L HA 0.749 5.088 4.340 -0.001 0.000 0.273 337 L C -0.013 176.802 176.870 -0.092 0.000 1.000 337 L CA -0.884 53.917 54.840 -0.065 0.000 0.819 337 L CB 2.058 44.066 42.059 -0.087 0.000 1.284 337 L HN 0.679 nan 8.230 nan 0.000 0.418 338 R N 1.513 121.946 120.500 -0.111 0.000 2.673 338 R HA 0.412 4.751 4.340 -0.001 0.000 0.281 338 R C -1.646 174.574 176.300 -0.134 0.000 0.991 338 R CA -0.756 55.296 56.100 -0.080 0.000 0.896 338 R CB 1.687 31.985 30.300 -0.004 0.000 1.201 338 R HN 0.417 nan 8.270 nan 0.000 0.457 339 Y N 3.209 123.521 120.300 0.020 0.000 2.531 339 Y HA 0.204 4.754 4.550 -0.001 0.000 0.347 339 Y C 0.460 176.353 175.900 -0.011 0.000 1.024 339 Y CA 0.014 58.115 58.100 0.002 0.000 1.306 339 Y CB 1.081 39.530 38.460 -0.017 0.000 1.149 339 Y HN 0.263 nan 8.280 nan 0.000 0.527 340 V N 0.229 120.212 119.914 0.116 0.000 2.914 340 V HA 0.490 4.610 4.120 -0.001 0.000 0.314 340 V C -0.652 175.483 176.094 0.069 0.000 1.084 340 V CA -1.326 61.032 62.300 0.096 0.000 0.963 340 V CB 1.514 33.405 31.823 0.113 0.000 1.025 340 V HN 0.680 nan 8.190 nan 0.000 0.432 341 H N 2.557 121.708 119.070 0.136 0.000 3.026 341 H HA 0.330 4.886 4.556 -0.001 0.000 0.289 341 H C 1.437 176.862 175.328 0.161 0.000 1.022 341 H CA 1.045 57.179 56.048 0.143 0.000 1.477 341 H CB 1.456 31.301 29.762 0.139 0.000 1.510 341 H HN 1.012 nan 8.280 nan 0.000 0.535 342 T N -0.136 114.576 114.554 0.264 0.000 3.057 342 T HA 0.013 4.363 4.350 -0.001 0.000 0.254 342 T C 0.549 175.425 174.700 0.294 0.000 1.094 342 T CA 0.198 62.453 62.100 0.258 0.000 1.088 342 T CB 0.044 69.025 68.868 0.190 0.000 0.934 342 T HN 0.679 nan 8.240 nan 0.000 0.497 343 N N -0.160 118.712 118.700 0.287 0.000 3.157 343 N HA 0.644 5.384 4.740 -0.001 0.000 0.291 343 N C 0.928 176.600 175.510 0.269 0.000 1.515 343 N CA -0.410 52.800 53.050 0.267 0.000 0.807 343 N CB 0.705 39.301 38.487 0.182 0.000 1.672 343 N HN -0.047 nan 8.380 nan 0.000 0.592 344 A N -0.896 122.031 122.820 0.179 0.000 2.015 344 A HA -0.093 4.227 4.320 -0.001 0.000 0.219 344 A C 1.645 179.285 177.584 0.092 0.000 1.163 344 A CA 1.215 53.295 52.037 0.072 0.000 0.646 344 A CB -0.665 18.370 19.000 0.060 0.000 0.806 344 A HN 0.688 nan 8.150 nan 0.000 0.448 345 E N -0.604 119.700 120.200 0.172 0.000 2.166 345 E HA 0.024 4.374 4.350 -0.001 0.000 0.192 345 E C -0.175 176.570 176.600 0.242 0.000 0.967 345 E CA 0.755 57.257 56.400 0.171 0.000 0.840 345 E CB 0.257 30.022 29.700 0.109 0.000 0.795 345 E HN 0.421 nan 8.360 nan 0.000 0.470 346 T N 1.487 116.198 114.554 0.261 0.000 2.824 346 T HA 0.366 4.716 4.350 -0.001 0.000 0.282 346 T C -0.375 174.374 174.700 0.082 0.000 0.993 346 T CA -0.570 61.620 62.100 0.149 0.000 0.967 346 T CB 2.151 71.089 68.868 0.116 0.000 0.960 346 T HN -0.156 nan 8.240 nan 0.000 0.441 347 K N 2.529 122.890 120.400 -0.065 0.000 2.110 347 K HA 0.514 4.833 4.320 -0.001 0.000 0.263 347 K C -0.246 176.408 176.600 0.091 0.000 0.975 347 K CA -1.032 55.205 56.287 -0.084 0.000 0.895 347 K CB 0.951 33.355 32.500 -0.159 0.000 1.060 347 K HN 0.371 nan 8.250 nan 0.000 0.448 348 Q N 1.902 121.778 119.800 0.127 0.000 2.356 348 Q HA 0.275 4.615 4.340 -0.001 0.000 0.270 348 Q C -0.757 175.300 176.000 0.094 0.000 1.058 348 Q CA -0.750 55.136 55.803 0.138 0.000 0.802 348 Q CB 2.205 31.006 28.738 0.106 0.000 1.303 348 Q HN 0.534 nan 8.270 nan 0.000 0.444 349 L N 2.554 123.776 121.223 -0.002 0.000 2.500 349 L HA 0.183 4.522 4.340 -0.001 0.000 0.272 349 L C -0.621 176.209 176.870 -0.066 0.000 1.149 349 L CA 0.917 55.581 54.840 -0.293 0.000 0.897 349 L CB 0.278 42.111 42.059 -0.377 0.000 1.178 349 L HN 0.541 nan 8.230 nan 0.000 0.473 350 T N 4.999 119.523 114.554 -0.049 0.000 2.893 350 T HA 0.292 4.642 4.350 -0.001 0.000 0.293 350 T C -0.474 174.240 174.700 0.023 0.000 1.027 350 T CA -0.600 61.546 62.100 0.076 0.000 0.988 350 T CB 2.061 70.987 68.868 0.097 0.000 1.043 350 T HN 0.354 nan 8.240 nan 0.000 0.461 351 L N 3.878 125.097 121.223 -0.007 0.000 2.418 351 L HA 0.392 4.732 4.340 -0.001 0.000 0.274 351 L C -1.029 175.798 176.870 -0.071 0.000 1.135 351 L CA 0.044 54.778 54.840 -0.177 0.000 0.870 351 L CB -0.207 41.428 42.059 -0.708 0.000 1.154 351 L HN 0.433 nan 8.230 nan 0.000 0.462 352 I N 4.976 125.519 120.570 -0.045 0.000 2.493 352 I HA 0.471 4.641 4.170 -0.001 0.000 0.298 352 I C -0.267 175.754 176.117 -0.160 0.000 0.998 352 I CA -0.290 60.973 61.300 -0.062 0.000 1.137 352 I CB 1.771 39.742 38.000 -0.049 0.000 1.310 352 I HN 0.731 nan 8.210 nan 0.000 0.445 353 Q N 5.157 124.826 119.800 -0.219 0.000 2.345 353 Q HA 0.626 4.966 4.340 -0.001 0.000 0.275 353 Q C -1.838 174.006 176.000 -0.259 0.000 1.063 353 Q CA -0.972 54.563 55.803 -0.447 0.000 0.819 353 Q CB 2.879 31.170 28.738 -0.745 0.000 1.356 353 Q HN 0.502 nan 8.270 nan 0.000 0.418 354 N N 2.124 120.593 118.700 -0.384 0.000 2.242 354 N HA 0.525 5.264 4.740 -0.001 0.000 0.292 354 N C -2.873 172.311 175.510 -0.544 0.000 1.125 354 N CA -1.315 51.407 53.050 -0.547 0.000 0.783 354 N CB 2.672 40.894 38.487 -0.442 0.000 1.558 354 N HN 0.478 nan 8.380 nan 0.000 0.472 355 P HA 0.133 nan 4.420 nan 0.000 0.275 355 P C -0.390 176.716 177.300 -0.323 0.000 1.228 355 P CA -0.270 62.581 63.100 -0.415 0.000 0.786 355 P CB 0.922 32.389 31.700 -0.388 0.000 0.927 356 V N 4.520 124.299 119.914 -0.225 0.000 2.389 356 V HA 0.172 4.292 4.120 -0.001 0.000 0.264 356 V C 0.482 176.444 176.094 -0.221 0.000 1.049 356 V CA 0.032 62.191 62.300 -0.234 0.000 0.932 356 V CB -0.185 31.483 31.823 -0.259 0.000 1.011 356 V HN 0.344 nan 8.190 nan 0.000 0.475 357 L N 8.443 129.537 121.223 -0.216 0.000 2.442 357 L HA 0.467 4.806 4.340 -0.001 0.000 0.261 357 L C -1.900 174.875 176.870 -0.159 0.000 1.000 357 L CA -1.279 53.452 54.840 -0.181 0.000 0.882 357 L CB 1.768 43.731 42.059 -0.159 0.000 1.207 357 L HN 0.489 nan 8.230 nan 0.000 0.443 358 P HA 0.156 nan 4.420 nan 0.000 0.275 358 P C -0.266 176.984 177.300 -0.083 0.000 1.266 358 P CA -0.382 62.650 63.100 -0.114 0.000 0.793 358 P CB 1.171 32.806 31.700 -0.108 0.000 1.074 359 D N -0.731 119.632 120.400 -0.063 0.000 2.350 359 D HA -0.103 4.536 4.640 -0.001 0.000 0.216 359 D C 1.695 177.977 176.300 -0.030 0.000 0.968 359 D CA 1.069 55.039 54.000 -0.048 0.000 0.894 359 D CB -0.331 40.442 40.800 -0.044 0.000 0.909 359 D HN 0.421 nan 8.370 nan 0.000 0.520 360 S N 0.109 115.802 115.700 -0.010 0.000 2.507 360 S HA -0.064 4.405 4.470 -0.001 0.000 0.235 360 S C 1.058 175.710 174.600 0.088 0.000 0.988 360 S CA -0.068 58.161 58.200 0.048 0.000 0.944 360 S CB -0.354 62.918 63.200 0.120 0.000 0.762 360 S HN 0.151 nan 8.310 nan 0.000 0.526 361 I N 2.893 123.467 120.570 0.006 0.000 2.471 361 I HA 0.149 4.318 4.170 -0.001 0.000 0.286 361 I C -0.027 176.072 176.117 -0.030 0.000 1.079 361 I CA -0.312 60.972 61.300 -0.027 0.000 1.398 361 I CB 0.349 38.303 38.000 -0.076 0.000 1.403 361 I HN 0.196 nan 8.210 nan 0.000 0.530 362 N N 4.805 123.487 118.700 -0.030 0.000 2.518 362 N HA 0.324 5.063 4.740 -0.001 0.000 0.283 362 N C -1.009 174.458 175.510 -0.072 0.000 1.119 362 N CA -0.584 52.438 53.050 -0.047 0.000 0.983 362 N CB 1.566 40.026 38.487 -0.045 0.000 1.139 362 N HN 0.233 nan 8.380 nan 0.000 0.465 363 V N 2.841 122.709 119.914 -0.076 0.000 2.348 363 V HA 0.070 4.189 4.120 -0.001 0.000 0.270 363 V C 1.089 177.106 176.094 -0.128 0.000 1.037 363 V CA -0.363 61.877 62.300 -0.100 0.000 0.872 363 V CB 1.143 32.920 31.823 -0.077 0.000 1.002 363 V HN 0.598 nan 8.190 nan 0.000 0.464 364 V N 2.820 122.628 119.914 -0.177 0.000 2.323 364 V HA 0.032 4.151 4.120 -0.001 0.000 0.244 364 V C 0.695 176.639 176.094 -0.250 0.000 1.041 364 V CA 1.655 63.840 62.300 -0.192 0.000 1.025 364 V CB -0.126 31.570 31.823 -0.211 0.000 0.656 364 V HN 0.950 nan 8.190 nan 0.000 0.451 365 D N -1.339 118.814 120.400 -0.412 0.000 2.622 365 D HA 0.476 5.115 4.640 -0.001 0.000 0.255 365 D C -1.295 174.642 176.300 -0.606 0.000 1.246 365 D CA -0.585 53.081 54.000 -0.557 0.000 0.795 365 D CB 2.204 42.487 40.800 -0.862 0.000 1.369 365 D HN 0.408 nan 8.370 nan 0.000 0.425 366 K N 0.323 120.534 120.400 -0.315 0.000 2.551 366 K HA 0.661 4.981 4.320 -0.001 0.000 0.269 366 K C -1.737 175.040 176.600 0.294 0.000 0.949 366 K CA -0.997 55.306 56.287 0.028 0.000 0.849 366 K CB 1.861 34.384 32.500 0.039 0.000 1.411 366 K HN 0.311 nan 8.250 nan 0.000 0.432 367 L N 1.417 122.874 121.223 0.389 0.000 2.341 367 L HA 0.580 4.919 4.340 -0.001 0.000 0.278 367 L C -1.393 175.579 176.870 0.170 0.000 1.005 367 L CA -0.509 54.491 54.840 0.266 0.000 0.818 367 L CB 1.680 43.871 42.059 0.220 0.000 1.259 367 L HN 0.827 nan 8.230 nan 0.000 0.418 368 K N 4.363 124.833 120.400 0.118 0.000 2.397 368 K HA 0.591 4.911 4.320 -0.001 0.000 0.253 368 K C -1.476 175.164 176.600 0.066 0.000 0.932 368 K CA -0.702 55.639 56.287 0.089 0.000 0.795 368 K CB 1.770 34.315 32.500 0.074 0.000 1.159 368 K HN 0.549 nan 8.250 nan 0.000 0.424 369 K N 1.886 122.321 120.400 0.059 0.000 2.482 369 K HA 0.437 4.756 4.320 -0.001 0.000 0.257 369 K C -1.713 174.911 176.600 0.039 0.000 0.969 369 K CA -0.884 55.428 56.287 0.041 0.000 0.842 369 K CB 2.236 34.753 32.500 0.028 0.000 1.359 369 K HN 0.320 nan 8.250 nan 0.000 0.441 370 K N 1.332 121.750 120.400 0.029 0.000 2.535 370 K HA 0.282 4.601 4.320 -0.001 0.000 0.250 370 K C -1.262 175.351 176.600 0.022 0.000 0.948 370 K CA -0.436 55.868 56.287 0.028 0.000 0.796 370 K CB 0.973 33.489 32.500 0.026 0.000 1.216 370 K HN 0.731 nan 8.250 nan 0.000 0.432 371 N N 0.972 119.687 118.700 0.024 0.000 2.705 371 N HA -0.205 4.535 4.740 -0.001 0.000 0.255 371 N C -0.556 174.962 175.510 0.013 0.000 1.008 371 N CA 0.879 53.941 53.050 0.021 0.000 0.742 371 N CB -1.131 37.367 38.487 0.018 0.000 0.906 371 N HN 0.296 nan 8.380 nan 0.000 0.541 372 V N -1.960 117.959 119.914 0.008 0.000 2.406 372 V HA 0.356 4.475 4.120 -0.001 0.000 0.272 372 V C 0.548 176.637 176.094 -0.009 0.000 1.043 372 V CA -0.688 61.609 62.300 -0.005 0.000 0.915 372 V CB 1.719 33.533 31.823 -0.015 0.000 0.988 372 V HN 0.024 nan 8.190 nan 0.000 0.466 373 K N 5.743 126.140 120.400 -0.005 0.000 2.171 373 K HA 0.394 4.713 4.320 -0.001 0.000 0.274 373 K C -0.310 176.285 176.600 -0.010 0.000 1.110 373 K CA -0.146 56.139 56.287 -0.003 0.000 0.952 373 K CB 0.953 33.452 32.500 -0.002 0.000 1.309 373 K HN 0.761 nan 8.250 nan 0.000 0.414 374 L N 3.055 124.269 121.223 -0.015 0.000 2.499 374 L HA 0.017 4.357 4.340 -0.001 0.000 0.273 374 L C 0.854 177.728 176.870 0.007 0.000 1.195 374 L CA 0.758 55.585 54.840 -0.021 0.000 0.882 374 L CB 0.361 42.385 42.059 -0.059 0.000 1.133 374 L HN 0.693 nan 8.230 nan 0.000 0.483 375 T N -0.743 113.809 114.554 -0.003 0.000 2.812 375 T HA 0.209 4.558 4.350 -0.001 0.000 0.294 375 T C 0.849 175.546 174.700 -0.005 0.000 1.159 375 T CA -0.672 61.428 62.100 0.001 0.000 1.008 375 T CB 1.238 70.102 68.868 -0.006 0.000 1.289 375 T HN 0.594 nan 8.240 nan 0.000 0.514 376 N N 0.690 119.386 118.700 -0.007 0.000 2.348 376 N HA -0.131 4.608 4.740 -0.001 0.000 0.185 376 N C 0.866 176.368 175.510 -0.013 0.000 1.019 376 N CA 1.020 54.063 53.050 -0.011 0.000 0.880 376 N CB -0.432 38.048 38.487 -0.011 0.000 0.965 376 N HN 0.722 nan 8.380 nan 0.000 0.437 377 K N -0.303 120.089 120.400 -0.013 0.000 2.410 377 K HA 0.224 4.544 4.320 -0.001 0.000 0.200 377 K C 0.035 176.626 176.600 -0.016 0.000 1.023 377 K CA 0.028 56.307 56.287 -0.014 0.000 1.149 377 K CB 0.562 33.056 32.500 -0.011 0.000 0.859 377 K HN 0.096 nan 8.250 nan 0.000 0.514 378 K N 1.637 122.026 120.400 -0.018 0.000 3.309 378 K HA 0.168 4.487 4.320 -0.001 0.000 0.187 378 K C -2.768 173.815 176.600 -0.029 0.000 1.085 378 K CA -1.218 55.057 56.287 -0.021 0.000 0.867 378 K CB 1.266 33.755 32.500 -0.019 0.000 0.846 378 K HN 0.009 nan 8.250 nan 0.000 0.522 379 P HA 0.161 nan 4.420 nan 0.000 0.274 379 P C -0.138 177.133 177.300 -0.048 0.000 1.231 379 P CA -0.322 62.753 63.100 -0.041 0.000 0.790 379 P CB 0.868 32.542 31.700 -0.043 0.000 0.951 380 I N 2.338 122.874 120.570 -0.058 0.000 2.342 380 I HA 0.285 4.454 4.170 -0.001 0.000 0.291 380 I C 0.814 176.879 176.117 -0.086 0.000 1.010 380 I CA -0.201 61.062 61.300 -0.063 0.000 1.308 380 I CB -0.009 37.956 38.000 -0.059 0.000 1.400 380 I HN 0.310 nan 8.210 nan 0.000 0.488 381 K N 3.966 124.309 120.400 -0.095 0.000 2.541 381 K HA 0.337 4.657 4.320 -0.001 0.000 0.250 381 K C -0.466 176.024 176.600 -0.182 0.000 0.950 381 K CA -0.592 55.616 56.287 -0.132 0.000 0.805 381 K CB 2.194 34.629 32.500 -0.108 0.000 1.166 381 K HN 0.458 nan 8.250 nan 0.000 0.430 382 T N 1.928 116.312 114.554 -0.282 0.000 2.916 382 T HA 0.046 4.395 4.350 -0.001 0.000 0.303 382 T C 0.042 174.461 174.700 -0.469 0.000 1.025 382 T CA 0.369 62.156 62.100 -0.522 0.000 1.142 382 T CB 0.003 68.449 68.868 -0.702 0.000 0.947 382 T HN 0.472 nan 8.240 nan 0.000 0.544 383 N N 3.276 121.685 118.700 -0.486 0.000 2.711 383 N HA 0.248 4.987 4.740 -0.001 0.000 0.263 383 N C -1.421 174.080 175.510 -0.015 0.000 1.667 383 N CA -0.430 52.499 53.050 -0.202 0.000 0.785 383 N CB -0.125 38.316 38.487 -0.078 0.000 1.231 383 N HN 0.196 nan 8.380 nan 0.000 0.503 384 F N 0.678 120.683 119.950 0.091 0.000 2.370 384 F HA 0.434 4.961 4.527 -0.001 0.000 0.319 384 F C 1.987 177.843 175.800 0.094 0.000 1.129 384 F CA -0.875 57.187 58.000 0.104 0.000 1.109 384 F CB 0.813 39.909 39.000 0.160 0.000 1.262 384 F HN 0.110 nan 8.300 nan 0.000 0.534 385 K N 0.217 120.789 120.400 0.287 0.000 2.001 385 K HA 0.079 4.399 4.320 -0.001 0.000 0.208 385 K C 0.974 177.676 176.600 0.170 0.000 1.048 385 K CA 1.240 57.631 56.287 0.173 0.000 0.932 385 K CB -0.245 32.325 32.500 0.116 0.000 0.715 385 K HN 0.874 nan 8.250 nan 0.000 0.437 386 G N -0.897 108.007 108.800 0.174 0.000 3.257 386 G HA2 0.371 4.330 3.960 -0.001 0.000 0.205 386 G HA3 0.371 4.330 3.960 -0.001 0.000 0.205 386 G C -1.358 173.637 174.900 0.159 0.000 1.234 386 G CA -0.379 44.820 45.100 0.165 0.000 0.918 386 G HN 0.135 nan 8.290 nan 0.000 0.602 387 S N -1.745 113.985 115.700 0.051 0.000 2.562 387 S HA 0.476 4.946 4.470 -0.001 0.000 0.274 387 S C 0.347 174.983 174.600 0.060 0.000 1.160 387 S CA 0.291 58.493 58.200 0.004 0.000 0.933 387 S CB 1.328 64.341 63.200 -0.312 0.000 1.100 387 S HN 0.961 nan 8.310 nan 0.000 0.468 388 T N 1.156 115.688 114.554 -0.037 0.000 3.086 388 T HA 0.404 4.754 4.350 -0.001 0.000 0.250 388 T C 1.499 176.187 174.700 -0.019 0.000 1.074 388 T CA 0.396 62.469 62.100 -0.044 0.000 0.988 388 T CB 0.022 68.822 68.868 -0.112 0.000 0.988 388 T HN 1.811 nan 8.240 nan 0.000 0.530 389 G N 1.107 109.992 108.800 0.141 0.000 2.159 389 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.256 389 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.256 389 G C -0.203 174.836 174.900 0.232 0.000 0.977 389 G CA 0.163 45.494 45.100 0.386 0.000 0.652 389 G HN 0.671 nan 8.290 nan 0.000 0.531 390 L N 0.638 121.795 121.223 -0.110 0.000 2.319 390 L HA 0.893 5.233 4.340 -0.001 0.000 0.281 390 L C -0.938 175.719 176.870 -0.355 0.000 1.005 390 L CA -1.506 53.280 54.840 -0.090 0.000 0.828 390 L CB 0.621 42.623 42.059 -0.097 0.000 1.227 390 L HN 0.025 nan 8.230 nan 0.000 0.415 391 F N 2.676 122.701 119.950 0.124 0.000 2.599 391 F HA 0.618 5.145 4.527 -0.001 0.000 0.311 391 F C -0.483 175.363 175.800 0.076 0.000 1.076 391 F CA -0.754 57.329 58.000 0.138 0.000 0.937 391 F CB 2.014 41.139 39.000 0.208 0.000 1.282 391 F HN 0.576 nan 8.300 nan 0.000 0.460 392 D N 0.567 121.107 120.400 0.233 0.000 2.490 392 D HA 0.625 5.265 4.640 -0.001 0.000 0.232 392 D C -1.314 175.034 176.300 0.081 0.000 1.053 392 D CA -0.598 53.369 54.000 -0.055 0.000 0.914 392 D CB 1.917 42.619 40.800 -0.164 0.000 1.431 392 D HN 0.275 nan 8.370 nan 0.000 0.483 393 F N -1.148 118.715 119.950 -0.145 0.000 2.578 393 F HA 0.639 5.165 4.527 -0.001 0.000 0.311 393 F C -1.067 174.713 175.800 -0.034 0.000 1.094 393 F CA -0.982 56.999 58.000 -0.031 0.000 0.923 393 F CB 1.849 40.842 39.000 -0.012 0.000 1.230 393 F HN 0.235 nan 8.300 nan 0.000 0.450 394 N N 3.331 122.189 118.700 0.263 0.000 2.519 394 N HA 0.551 5.291 4.740 -0.001 0.000 0.286 394 N C -1.902 173.770 175.510 0.270 0.000 1.079 394 N CA -0.382 52.838 53.050 0.283 0.000 0.878 394 N CB 1.454 40.128 38.487 0.311 0.000 1.375 394 N HN 0.784 nan 8.380 nan 0.000 0.514 395 I N 1.691 122.445 120.570 0.307 0.000 2.466 395 I HA 0.313 4.483 4.170 -0.001 0.000 0.289 395 I C -0.194 176.117 176.117 0.323 0.000 1.026 395 I CA -0.583 60.903 61.300 0.309 0.000 1.078 395 I CB 2.297 40.518 38.000 0.368 0.000 1.249 395 I HN 0.224 nan 8.210 nan 0.000 0.429 396 T N 6.586 121.280 114.554 0.234 0.000 2.771 396 T HA 0.659 5.009 4.350 -0.001 0.000 0.281 396 T C -0.655 174.170 174.700 0.209 0.000 0.982 396 T CA -0.350 61.847 62.100 0.162 0.000 0.978 396 T CB 0.630 69.539 68.868 0.068 0.000 0.930 396 T HN 0.406 nan 8.240 nan 0.000 0.447 397 F N 0.300 120.298 119.950 0.081 0.000 2.613 397 F HA 0.840 5.366 4.527 -0.001 0.000 0.314 397 F C -0.863 174.996 175.800 0.098 0.000 1.075 397 F CA -1.435 56.592 58.000 0.045 0.000 0.945 397 F CB 1.561 40.535 39.000 -0.042 0.000 1.310 397 F HN 0.183 nan 8.300 nan 0.000 0.467 398 K N 1.803 122.358 120.400 0.258 0.000 2.316 398 K HA 0.666 4.985 4.320 -0.001 0.000 0.251 398 K C -1.542 175.257 176.600 0.330 0.000 0.934 398 K CA -1.176 55.219 56.287 0.180 0.000 0.802 398 K CB 2.783 35.336 32.500 0.088 0.000 1.171 398 K HN 0.560 nan 8.250 nan 0.000 0.426 399 V N 4.395 124.493 119.914 0.307 0.000 2.385 399 V HA 0.149 4.268 4.120 -0.001 0.000 0.269 399 V C -0.104 176.038 176.094 0.080 0.000 1.043 399 V CA -0.773 61.666 62.300 0.232 0.000 0.906 399 V CB 0.475 32.503 31.823 0.341 0.000 0.995 399 V HN 0.512 nan 8.190 nan 0.000 0.467 400 L N 4.232 125.441 121.223 -0.024 0.000 2.456 400 L HA 0.345 4.684 4.340 -0.001 0.000 0.257 400 L C 0.646 177.498 176.870 -0.031 0.000 1.162 400 L CA -0.106 54.721 54.840 -0.023 0.000 0.808 400 L CB 0.152 42.184 42.059 -0.046 0.000 1.136 400 L HN 0.566 nan 8.230 nan 0.000 0.466 401 N N 1.334 120.028 118.700 -0.010 0.000 2.605 401 N HA 0.400 5.140 4.740 -0.001 0.000 0.258 401 N C -1.184 174.311 175.510 -0.025 0.000 1.156 401 N CA -0.014 53.032 53.050 -0.007 0.000 1.008 401 N CB 0.005 38.497 38.487 0.009 0.000 1.354 401 N HN 0.301 nan 8.380 nan 0.000 0.509 402 L N 2.127 123.323 121.223 -0.045 0.000 2.470 402 L HA 0.478 4.817 4.340 -0.001 0.000 0.268 402 L C -1.347 175.496 176.870 -0.046 0.000 0.964 402 L CA -0.675 54.135 54.840 -0.049 0.000 0.839 402 L CB 1.568 43.583 42.059 -0.073 0.000 1.276 402 L HN 0.286 nan 8.230 nan 0.000 0.403 403 N N 3.806 122.489 118.700 -0.028 0.000 2.408 403 N HA 0.456 5.195 4.740 -0.001 0.000 0.257 403 N C -0.985 174.512 175.510 -0.022 0.000 1.064 403 N CA -0.044 52.994 53.050 -0.020 0.000 0.952 403 N CB 1.951 40.432 38.487 -0.010 0.000 1.093 403 N HN 0.396 nan 8.380 nan 0.000 0.490 404 V N 0.973 120.874 119.914 -0.021 0.000 2.914 404 V HA 0.347 4.466 4.120 -0.001 0.000 0.314 404 V C 0.082 176.175 176.094 -0.002 0.000 1.084 404 V CA -0.845 61.445 62.300 -0.017 0.000 0.963 404 V CB 2.205 34.010 31.823 -0.030 0.000 1.025 404 V HN 0.786 nan 8.190 nan 0.000 0.432 405 S N 4.136 119.837 115.700 0.002 0.000 2.572 405 S HA 0.211 4.680 4.470 -0.001 0.000 0.279 405 S C -1.808 172.804 174.600 0.021 0.000 1.341 405 S CA -0.550 57.655 58.200 0.008 0.000 1.043 405 S CB 0.794 63.999 63.200 0.007 0.000 0.887 405 S HN 0.622 nan 8.310 nan 0.000 0.516 406 P HA 0.045 nan 4.420 nan 0.000 0.219 406 P C 1.438 178.764 177.300 0.044 0.000 1.146 406 P CA 1.335 64.449 63.100 0.023 0.000 0.808 406 P CB -0.408 31.295 31.700 0.006 0.000 0.779 407 G N -0.539 108.290 108.800 0.048 0.000 2.848 407 G HA2 -0.136 3.824 3.960 -0.001 0.000 0.208 407 G HA3 -0.136 3.824 3.960 -0.001 0.000 0.208 407 G C 1.182 176.199 174.900 0.194 0.000 1.152 407 G CA 0.247 45.398 45.100 0.084 0.000 0.789 407 G HN 0.301 nan 8.290 nan 0.000 0.531 408 K N 0.089 120.570 120.400 0.135 0.000 2.447 408 K HA 0.058 4.378 4.320 -0.001 0.000 0.205 408 K C 1.145 177.782 176.600 0.061 0.000 1.059 408 K CA 0.180 56.496 56.287 0.048 0.000 1.065 408 K CB 0.788 33.288 32.500 -0.001 0.000 0.885 408 K HN 0.218 nan 8.250 nan 0.000 0.545 409 T N 0.560 115.226 114.554 0.187 0.000 3.792 409 T HA 0.024 4.373 4.350 -0.001 0.000 0.233 409 T C 0.006 174.954 174.700 0.414 0.000 0.860 409 T CA -0.316 61.906 62.100 0.204 0.000 0.915 409 T CB -0.798 68.141 68.868 0.118 0.000 1.216 409 T HN 0.234 nan 8.240 nan 0.000 0.664 410 H N -0.609 118.684 119.070 0.373 0.000 3.037 410 H HA 0.593 5.149 4.556 -0.001 0.000 0.355 410 H C -1.496 173.955 175.328 0.205 0.000 1.263 410 H CA -1.607 54.599 56.048 0.263 0.000 1.129 410 H CB 0.913 30.738 29.762 0.104 0.000 1.861 410 H HN 0.274 nan 8.280 nan 0.000 0.546 411 F N 0.126 119.888 119.950 -0.314 0.000 2.603 411 F HA 0.704 5.231 4.527 -0.000 0.000 0.317 411 F C -1.573 174.098 175.800 -0.214 0.000 1.066 411 F CA -0.872 56.911 58.000 -0.360 0.000 0.941 411 F CB 2.316 40.923 39.000 -0.655 0.000 1.291 411 F HN 0.386 nan 8.300 nan 0.000 0.472 412 D N 2.570 122.896 120.400 -0.124 0.000 2.879 412 D HA 0.423 5.062 4.640 -0.001 0.000 0.236 412 D C -0.975 175.232 176.300 -0.155 0.000 1.171 412 D CA -0.129 53.752 54.000 -0.198 0.000 0.868 412 D CB 3.163 43.956 40.800 -0.012 0.000 1.598 412 D HN 0.524 nan 8.370 nan 0.000 0.497 413 I N 2.387 122.797 120.570 -0.267 0.000 2.304 413 I HA 0.234 4.403 4.170 -0.001 0.000 0.291 413 I C -0.117 175.829 176.117 -0.285 0.000 1.018 413 I CA -0.473 60.642 61.300 -0.310 0.000 1.260 413 I CB 0.898 38.582 38.000 -0.527 0.000 1.390 413 I HN 0.090 nan 8.210 nan 0.000 0.475 414 L N 7.508 128.587 121.223 -0.239 0.000 2.282 414 L HA 0.534 4.873 4.340 -0.001 0.000 0.288 414 L C -0.331 176.394 176.870 -0.241 0.000 1.033 414 L CA -0.523 54.197 54.840 -0.201 0.000 0.807 414 L CB 1.309 43.283 42.059 -0.141 0.000 1.209 414 L HN 0.500 nan 8.230 nan 0.000 0.423 415 I N 3.885 124.314 120.570 -0.236 0.000 2.306 415 I HA 0.249 4.418 4.170 -0.001 0.000 0.288 415 I C -0.392 175.615 176.117 -0.184 0.000 1.036 415 I CA -0.325 60.830 61.300 -0.241 0.000 1.221 415 I CB 0.693 38.545 38.000 -0.247 0.000 1.385 415 I HN 0.577 nan 8.210 nan 0.000 0.472 416 N N 4.414 123.014 118.700 -0.167 0.000 2.405 416 N HA 0.321 5.060 4.740 -0.001 0.000 0.299 416 N C -0.089 175.385 175.510 -0.060 0.000 1.075 416 N CA -0.385 52.599 53.050 -0.111 0.000 0.884 416 N CB 2.031 40.448 38.487 -0.116 0.000 1.194 416 N HN 0.602 nan 8.380 nan 0.000 0.491 417 S N 0.697 116.375 115.700 -0.037 0.000 2.641 417 S HA 0.110 4.579 4.470 -0.001 0.000 0.261 417 S C 0.355 174.849 174.600 -0.177 0.000 1.257 417 S CA -0.682 57.498 58.200 -0.035 0.000 0.983 417 S CB 0.539 63.725 63.200 -0.024 0.000 0.990 417 S HN 0.542 nan 8.310 nan 0.000 0.572 418 Q N 0.371 119.878 119.800 -0.489 0.000 2.417 418 Q HA 0.184 4.523 4.340 -0.001 0.000 0.241 418 Q C -0.317 175.494 176.000 -0.316 0.000 1.008 418 Q CA -0.161 55.265 55.803 -0.627 0.000 0.901 418 Q CB 0.278 28.296 28.738 -1.200 0.000 1.259 418 Q HN 0.862 nan 8.270 nan 0.000 0.489 419 E N 2.590 122.654 120.200 -0.227 0.000 2.217 419 E HA 0.124 4.474 4.350 -0.001 0.000 0.279 419 E C -0.386 176.127 176.600 -0.144 0.000 1.068 419 E CA -0.128 56.183 56.400 -0.148 0.000 0.882 419 E CB 0.476 30.113 29.700 -0.105 0.000 1.039 419 E HN 0.654 nan 8.360 nan 0.000 0.418 420 L N 3.800 124.950 121.223 -0.122 0.000 2.543 420 L HA 0.137 4.476 4.340 -0.001 0.000 0.181 420 L C 0.656 177.486 176.870 -0.067 0.000 1.437 420 L CA -0.530 54.252 54.840 -0.096 0.000 3.059 420 L CB 0.047 42.049 42.059 -0.095 0.000 2.916 420 L HN 0.525 nan 8.230 nan 0.000 1.037 421 N N 1.792 120.458 118.700 -0.056 0.000 3.027 421 N HA -0.029 4.711 4.740 -0.001 0.000 0.309 421 N C 0.353 175.839 175.510 -0.040 0.000 1.222 421 N CA 0.827 53.852 53.050 -0.042 0.000 1.187 421 N CB -0.204 38.262 38.487 -0.036 0.000 1.458 421 N HN 0.526 nan 8.380 nan 0.000 0.535 422 S N -1.147 114.528 115.700 -0.042 0.000 3.473 422 S HA -0.229 4.241 4.470 -0.001 0.000 0.339 422 S C 0.096 174.671 174.600 -0.042 0.000 1.148 422 S CA 0.839 59.015 58.200 -0.040 0.000 0.969 422 S CB -2.291 60.890 63.200 -0.030 0.000 0.936 422 S HN 0.616 nan 8.310 nan 0.000 0.530 423 S N -1.167 114.502 115.700 -0.051 0.000 2.541 423 S HA 0.788 5.257 4.470 -0.001 0.000 0.280 423 S C -0.697 173.865 174.600 -0.063 0.000 1.112 423 S CA -0.385 57.786 58.200 -0.050 0.000 0.925 423 S CB 2.316 65.491 63.200 -0.041 0.000 1.067 423 S HN 1.017 nan 8.310 nan 0.000 0.479 424 V N 2.725 122.604 119.914 -0.058 0.000 2.409 424 V HA 0.465 4.585 4.120 -0.001 0.000 0.291 424 V C -0.935 175.129 176.094 -0.050 0.000 1.020 424 V CA -0.636 61.624 62.300 -0.066 0.000 0.848 424 V CB 1.532 33.312 31.823 -0.072 0.000 0.990 424 V HN 0.927 nan 8.190 nan 0.000 0.430 425 D N 2.877 123.253 120.400 -0.040 0.000 2.210 425 D HA 0.685 5.325 4.640 -0.001 0.000 0.249 425 D C -0.003 176.278 176.300 -0.031 0.000 1.062 425 D CA 0.148 54.136 54.000 -0.021 0.000 0.891 425 D CB 1.873 42.685 40.800 0.021 0.000 1.186 425 D HN 0.714 nan 8.370 nan 0.000 0.432 426 S N 0.158 115.832 115.700 -0.044 0.000 2.564 426 S HA 0.784 5.253 4.470 -0.001 0.000 0.274 426 S C -0.462 174.080 174.600 -0.097 0.000 1.124 426 S CA -1.006 57.146 58.200 -0.079 0.000 0.869 426 S CB 1.094 64.247 63.200 -0.080 0.000 1.105 426 S HN 0.464 nan 8.310 nan 0.000 0.472 427 I N -1.083 119.382 120.570 -0.174 0.000 2.740 427 I HA 0.796 4.966 4.170 -0.001 0.000 0.303 427 I C -0.875 175.149 176.117 -0.156 0.000 1.044 427 I CA -0.989 60.205 61.300 -0.178 0.000 1.064 427 I CB 2.016 39.812 38.000 -0.339 0.000 1.249 427 I HN 0.833 nan 8.210 nan 0.000 0.433 428 K N 4.669 125.013 120.400 -0.093 0.000 2.345 428 K HA 0.703 5.022 4.320 -0.001 0.000 0.255 428 K C -1.891 174.663 176.600 -0.076 0.000 0.934 428 K CA -0.592 55.648 56.287 -0.079 0.000 0.801 428 K CB 1.812 34.308 32.500 -0.007 0.000 1.137 428 K HN 0.710 nan 8.250 nan 0.000 0.424 429 I N 2.919 123.393 120.570 -0.159 0.000 2.436 429 I HA 0.530 4.700 4.170 -0.001 0.000 0.289 429 I C 0.202 176.061 176.117 -0.429 0.000 1.010 429 I CA -0.254 60.928 61.300 -0.197 0.000 1.098 429 I CB 2.036 39.987 38.000 -0.082 0.000 1.266 429 I HN 0.790 nan 8.210 nan 0.000 0.434 430 G N 4.115 112.390 108.800 -0.874 0.000 2.798 430 G HA2 0.769 4.728 3.960 -0.001 0.000 0.286 430 G HA3 0.769 4.728 3.960 -0.001 0.000 0.286 430 G C -2.072 171.993 174.900 -1.392 0.000 1.389 430 G CA -0.570 43.736 45.100 -1.323 0.000 0.894 430 G HN 0.315 nan 8.290 nan 0.000 0.488 431 F N 0.555 119.687 119.950 -1.363 0.000 2.581 431 F HA 0.542 5.069 4.527 0.000 0.000 0.311 431 F C -1.496 174.052 175.800 -0.419 0.000 1.113 431 F CA -0.998 56.391 58.000 -1.018 0.000 0.935 431 F CB 2.500 40.712 39.000 -1.314 0.000 1.232 431 F HN 0.375 nan 8.300 nan 0.000 0.445 432 D N 3.133 123.023 120.400 -0.850 0.000 2.344 432 D HA 0.178 4.817 4.640 -0.001 0.000 0.239 432 D C 0.606 176.468 176.300 -0.729 0.000 1.064 432 D CA 0.051 53.801 54.000 -0.417 0.000 0.829 432 D CB 2.113 42.795 40.800 -0.196 0.000 1.129 432 D HN 0.660 nan 8.370 nan 0.000 0.506 433 S N 1.912 117.546 115.700 -0.110 0.000 2.402 433 S HA -0.187 4.283 4.470 -0.001 0.000 0.229 433 S C 1.923 176.525 174.600 0.004 0.000 1.021 433 S CA 1.242 59.486 58.200 0.074 0.000 0.974 433 S CB -0.244 63.150 63.200 0.324 0.000 0.800 433 S HN 0.460 nan 8.310 nan 0.000 0.484 434 S N 1.377 117.070 115.700 -0.012 0.000 2.402 434 S HA -0.044 4.426 4.470 -0.001 0.000 0.229 434 S C 1.757 176.354 174.600 -0.005 0.000 1.021 434 S CA 0.622 58.826 58.200 0.006 0.000 0.974 434 S CB -0.395 62.808 63.200 0.005 0.000 0.800 434 S HN 0.462 nan 8.310 nan 0.000 0.484 435 Q N 0.633 120.384 119.800 -0.083 0.000 2.319 435 Q HA 0.320 4.659 4.340 -0.001 0.000 0.209 435 Q C 0.736 176.729 176.000 -0.011 0.000 0.884 435 Q CA 0.557 56.338 55.803 -0.036 0.000 0.938 435 Q CB 0.136 28.823 28.738 -0.085 0.000 1.098 435 Q HN 0.598 nan 8.270 nan 0.000 0.517 436 S N 0.662 116.233 115.700 -0.215 0.000 3.549 436 S HA -0.147 4.322 4.470 -0.001 0.000 0.366 436 S C -0.610 173.716 174.600 -0.456 0.000 1.012 436 S CA 0.537 58.568 58.200 -0.281 0.000 1.141 436 S CB -1.039 62.178 63.200 0.028 0.000 0.910 436 S HN 0.340 nan 8.310 nan 0.000 0.471 437 S N 0.676 115.974 115.700 -0.671 0.000 2.547 437 S HA 0.722 5.192 4.470 -0.001 0.000 0.281 437 S C -0.429 173.845 174.600 -0.543 0.000 1.118 437 S CA -0.688 57.282 58.200 -0.383 0.000 0.947 437 S CB 1.010 64.155 63.200 -0.091 0.000 1.053 437 S HN 0.349 nan 8.310 nan 0.000 0.482 438 F N 2.268 122.041 119.950 -0.295 0.000 2.378 438 F HA 0.567 5.093 4.527 -0.001 0.000 0.319 438 F C 0.269 175.936 175.800 -0.220 0.000 1.155 438 F CA -0.191 57.591 58.000 -0.363 0.000 1.157 438 F CB 0.577 39.132 39.000 -0.740 0.000 1.252 438 F HN 0.645 nan 8.300 nan 0.000 0.550 439 Y N -0.101 120.212 120.300 0.021 0.000 2.597 439 Y HA 0.723 5.273 4.550 0.000 0.000 0.340 439 Y C -1.582 174.340 175.900 0.037 0.000 1.097 439 Y CA -1.795 56.300 58.100 -0.008 0.000 1.037 439 Y CB 0.988 39.391 38.460 -0.096 0.000 1.305 439 Y HN 0.560 nan 8.280 nan 0.000 0.463 440 I N 1.847 122.542 120.570 0.208 0.000 2.603 440 I HA 0.478 4.648 4.170 -0.001 0.000 0.300 440 I C -1.565 174.640 176.117 0.147 0.000 1.017 440 I CA -0.660 60.721 61.300 0.135 0.000 1.098 440 I CB 1.849 39.902 38.000 0.088 0.000 1.279 440 I HN 0.855 nan 8.210 nan 0.000 0.437 441 D N 5.753 126.217 120.400 0.107 0.000 2.421 441 D HA 0.254 4.893 4.640 -0.001 0.000 0.254 441 D C 0.112 176.452 176.300 0.067 0.000 1.238 441 D CA -0.561 53.488 54.000 0.081 0.000 0.919 441 D CB 1.024 41.866 40.800 0.071 0.000 1.152 441 D HN 0.604 nan 8.370 nan 0.000 0.552 442 R N 2.461 123.013 120.500 0.086 0.000 2.356 442 R HA 0.139 4.478 4.340 -0.001 0.000 0.234 442 R C 0.189 176.617 176.300 0.213 0.000 0.929 442 R CA -0.492 55.678 56.100 0.116 0.000 1.084 442 R CB -0.425 29.957 30.300 0.137 0.000 1.105 442 R HN 0.239 nan 8.270 nan 0.000 0.515 443 H N 1.521 120.652 119.070 0.102 0.000 3.004 443 H HA 0.194 4.750 4.556 -0.000 0.000 0.316 443 H C -0.654 174.732 175.328 0.097 0.000 1.014 443 H CA 0.250 56.363 56.048 0.108 0.000 1.454 443 H CB 0.331 30.124 29.762 0.051 0.000 1.472 443 H HN 0.217 nan 8.280 nan 0.000 0.571 444 I N 8.895 129.202 120.570 -0.439 0.000 2.439 444 I HA 0.249 4.419 4.170 -0.001 0.000 0.285 444 I C -2.198 173.606 176.117 -0.522 0.000 1.021 444 I CA -2.180 58.912 61.300 -0.347 0.000 1.091 444 I CB 2.086 40.069 38.000 -0.028 0.000 1.242 444 I HN 0.593 nan 8.210 nan 0.000 0.439 445 P HA 0.206 nan 4.420 nan 0.000 0.272 445 P C -0.213 177.025 177.300 -0.103 0.000 1.223 445 P CA 0.219 63.178 63.100 -0.236 0.000 0.784 445 P CB 0.789 32.455 31.700 -0.056 0.000 0.923 446 N N -2.111 116.561 118.700 -0.048 0.000 2.920 446 N HA -0.116 4.624 4.740 -0.001 0.000 0.199 446 N C -0.343 175.153 175.510 -0.022 0.000 0.997 446 N CA 0.840 53.874 53.050 -0.026 0.000 1.034 446 N CB -1.618 36.856 38.487 -0.021 0.000 0.977 446 N HN 0.230 nan 8.380 nan 0.000 0.579 447 V N 1.802 121.701 119.914 -0.025 0.000 2.408 447 V HA 0.327 4.446 4.120 -0.001 0.000 0.267 447 V C 0.369 176.433 176.094 -0.050 0.000 1.047 447 V CA 0.094 62.403 62.300 0.014 0.000 0.937 447 V CB 1.470 33.344 31.823 0.086 0.000 0.999 447 V HN 0.090 nan 8.190 nan 0.000 0.472 448 E N 4.319 124.496 120.200 -0.038 0.000 2.212 448 E HA 0.808 5.158 4.350 -0.001 0.000 0.268 448 E C -0.953 175.626 176.600 -0.034 0.000 0.902 448 E CA -0.371 55.939 56.400 -0.150 0.000 0.779 448 E CB 2.004 31.642 29.700 -0.103 0.000 1.172 448 E HN 0.518 nan 8.360 nan 0.000 0.409 449 F N 0.017 119.886 119.950 -0.135 0.000 2.645 449 F HA 0.711 5.238 4.527 -0.000 0.000 0.310 449 F C -2.657 173.099 175.800 -0.074 0.000 1.102 449 F CA -2.901 55.021 58.000 -0.130 0.000 0.952 449 F CB 0.243 39.110 39.000 -0.222 0.000 1.326 449 F HN 0.194 nan 8.300 nan 0.000 0.456 450 P HA 0.216 nan 4.420 nan 0.000 0.265 450 P C -0.481 176.945 177.300 0.210 0.000 1.187 450 P CA 0.339 63.517 63.100 0.131 0.000 0.766 450 P CB 0.389 32.173 31.700 0.141 0.000 0.820 451 R N 0.248 120.859 120.500 0.184 0.000 3.878 451 R HA -0.231 4.108 4.340 -0.001 0.000 0.330 451 R C 0.951 177.427 176.300 0.293 0.000 1.186 451 R CA 0.785 57.093 56.100 0.346 0.000 0.885 451 R CB -1.857 28.746 30.300 0.504 0.000 1.377 451 R HN 0.499 nan 8.270 nan 0.000 0.523 452 K N 1.304 121.668 120.400 -0.059 0.000 2.504 452 K HA -0.100 4.220 4.320 -0.001 0.000 0.195 452 K C 1.355 177.902 176.600 -0.089 0.000 1.036 452 K CA 0.951 57.086 56.287 -0.254 0.000 0.984 452 K CB 0.136 32.180 32.500 -0.760 0.000 0.788 452 K HN 0.230 nan 8.250 nan 0.000 0.488 453 Q N -0.902 118.801 119.800 -0.163 0.000 2.291 453 Q HA -0.113 4.227 4.340 -0.001 0.000 0.206 453 Q C 0.757 176.554 176.000 -0.339 0.000 0.976 453 Q CA 1.432 57.036 55.803 -0.332 0.000 0.875 453 Q CB 0.023 28.411 28.738 -0.585 0.000 0.927 453 Q HN 0.326 nan 8.270 nan 0.000 0.450 454 F N -2.120 117.947 119.950 0.194 0.000 2.749 454 F HA 0.176 4.702 4.527 -0.001 0.000 0.300 454 F C 0.340 176.365 175.800 0.374 0.000 1.103 454 F CA -0.570 57.592 58.000 0.270 0.000 1.342 454 F CB 0.365 39.555 39.000 0.316 0.000 1.098 454 F HN -0.065 nan 8.300 nan 0.000 0.586 455 F N 2.567 122.643 119.950 0.210 0.000 2.619 455 F HA 0.202 4.728 4.527 -0.001 0.000 0.350 455 F C 0.729 176.559 175.800 0.050 0.000 1.259 455 F CA -0.692 57.295 58.000 -0.022 0.000 1.204 455 F CB -0.614 38.234 39.000 -0.254 0.000 1.556 455 F HN -0.251 nan 8.300 nan 0.000 0.650 456 T N 4.552 119.097 114.554 -0.015 0.000 2.902 456 T HA -0.044 4.305 4.350 -0.001 0.000 0.301 456 T C 0.936 175.571 174.700 -0.109 0.000 1.012 456 T CA -0.065 62.019 62.100 -0.027 0.000 1.151 456 T CB 0.635 69.503 68.868 -0.000 0.000 0.946 456 T HN 0.482 nan 8.240 nan 0.000 0.542 457 D N 2.045 122.439 120.400 -0.011 0.000 2.323 457 D HA 0.061 4.700 4.640 -0.001 0.000 0.218 457 D C 0.434 176.744 176.300 0.016 0.000 0.973 457 D CA 0.807 54.827 54.000 0.032 0.000 0.890 457 D CB 0.474 41.345 40.800 0.118 0.000 1.011 457 D HN 0.468 nan 8.370 nan 0.000 0.499 458 K N 0.819 121.219 120.400 -0.001 0.000 2.274 458 K HA 0.590 4.909 4.320 -0.001 0.000 0.262 458 K C -0.567 176.038 176.600 0.009 0.000 0.961 458 K CA -0.300 55.989 56.287 0.003 0.000 0.833 458 K CB 2.308 34.787 32.500 -0.034 0.000 1.102 458 K HN -0.124 nan 8.250 nan 0.000 0.436 459 L N 1.683 122.930 121.223 0.041 0.000 2.409 459 L HA 0.747 5.087 4.340 -0.001 0.000 0.262 459 L C -0.867 176.059 176.870 0.093 0.000 0.992 459 L CA -0.940 53.929 54.840 0.050 0.000 0.817 459 L CB 2.212 44.297 42.059 0.044 0.000 1.350 459 L HN 0.725 nan 8.230 nan 0.000 0.411 460 A N 1.699 124.568 122.820 0.082 0.000 2.430 460 A HA 1.003 5.322 4.320 -0.001 0.000 0.300 460 A C -1.252 176.383 177.584 0.085 0.000 1.124 460 A CA -0.437 51.656 52.037 0.093 0.000 0.766 460 A CB 2.060 21.100 19.000 0.067 0.000 1.328 460 A HN 0.801 nan 8.150 nan 0.000 0.424 461 A N 0.251 123.099 122.820 0.046 0.000 2.476 461 A HA 0.554 4.873 4.320 -0.001 0.000 0.280 461 A C -1.304 176.321 177.584 0.068 0.000 1.081 461 A CA -0.310 51.752 52.037 0.041 0.000 0.753 461 A CB 0.251 19.192 19.000 -0.098 0.000 1.248 461 A HN 1.370 nan 8.150 nan 0.000 0.424 462 Y N 2.613 122.946 120.300 0.055 0.000 2.335 462 Y HA 0.640 5.190 4.550 -0.000 0.000 0.331 462 Y C -0.918 175.083 175.900 0.168 0.000 1.094 462 Y CA -0.056 58.096 58.100 0.086 0.000 1.253 462 Y CB 0.660 39.166 38.460 0.076 0.000 1.203 462 Y HN 0.582 nan 8.280 nan 0.000 0.508 463 L N 5.889 126.827 121.223 -0.476 0.000 2.493 463 L HA 0.298 4.638 4.340 -0.001 0.000 0.265 463 L C -0.618 176.164 176.870 -0.148 0.000 0.954 463 L CA -0.758 54.025 54.840 -0.095 0.000 0.844 463 L CB 1.939 44.167 42.059 0.281 0.000 1.302 463 L HN 0.599 nan 8.230 nan 0.000 0.405 464 E N 2.791 122.994 120.200 0.006 0.000 2.409 464 E HA 0.204 4.553 4.350 -0.001 0.000 0.257 464 E C -2.262 174.280 176.600 -0.096 0.000 1.150 464 E CA -1.527 54.909 56.400 0.060 0.000 0.942 464 E CB 0.250 30.043 29.700 0.154 0.000 0.979 464 E HN 0.210 nan 8.360 nan 0.000 0.447 465 P HA -0.075 nan 4.420 nan 0.000 0.267 465 P C 0.859 177.763 177.300 -0.660 0.000 1.200 465 P CA 0.113 62.514 63.100 -1.165 0.000 0.772 465 P CB 0.467 31.394 31.700 -1.290 0.000 0.855 466 L N 2.025 122.856 121.223 -0.654 0.000 2.093 466 L HA 0.028 4.367 4.340 -0.001 0.000 0.208 466 L C 0.628 177.337 176.870 -0.268 0.000 1.085 466 L CA 2.179 56.838 54.840 -0.301 0.000 0.755 466 L CB -0.202 41.723 42.059 -0.223 0.000 0.904 466 L HN 0.325 nan 8.230 nan 0.000 0.435 467 D N -3.880 116.263 120.400 -0.427 0.000 2.692 467 D HA 0.239 4.878 4.640 -0.001 0.000 0.303 467 D C -1.753 174.247 176.300 -0.499 0.000 1.278 467 D CA -0.415 53.412 54.000 -0.288 0.000 0.852 467 D CB 1.112 41.828 40.800 -0.140 0.000 1.375 467 D HN -0.159 nan 8.370 nan 0.000 0.453 468 Y N 0.599 120.831 120.300 -0.115 0.000 2.350 468 Y HA 0.288 4.837 4.550 -0.001 0.000 0.338 468 Y C -0.268 175.595 175.900 -0.061 0.000 0.961 468 Y CA -0.897 57.147 58.100 -0.093 0.000 1.100 468 Y CB 1.660 40.074 38.460 -0.077 0.000 1.179 468 Y HN 0.046 nan 8.280 nan 0.000 0.454 469 D N 4.233 124.675 120.400 0.069 0.000 2.485 469 D HA 0.231 4.871 4.640 -0.001 0.000 0.221 469 D C 0.134 176.472 176.300 0.064 0.000 1.112 469 D CA 0.207 54.235 54.000 0.046 0.000 0.911 469 D CB 0.223 41.031 40.800 0.014 0.000 1.019 469 D HN 0.558 nan 8.370 nan 0.000 0.516 470 Q N 2.366 122.203 119.800 0.062 0.000 1.748 470 Q HA -0.249 4.091 4.340 -0.001 0.000 0.350 470 Q C 0.584 176.623 176.000 0.065 0.000 0.773 470 Q CA 1.979 57.809 55.803 0.045 0.000 0.909 470 Q CB -1.494 27.262 28.738 0.031 0.000 3.006 470 Q HN 0.743 nan 8.270 nan 0.000 0.690 471 D N 1.040 121.477 120.400 0.062 0.000 2.349 471 D HA 0.154 4.793 4.640 -0.001 0.000 0.214 471 D C 0.438 176.828 176.300 0.151 0.000 1.063 471 D CA 0.070 54.116 54.000 0.078 0.000 0.847 471 D CB 0.028 40.852 40.800 0.039 0.000 0.933 471 D HN 0.075 nan 8.370 nan 0.000 0.513 472 L N 1.782 123.083 121.223 0.131 0.000 2.290 472 L HA 0.290 4.630 4.340 -0.001 0.000 0.284 472 L C 0.632 177.545 176.870 0.071 0.000 1.078 472 L CA -0.384 54.519 54.840 0.105 0.000 0.815 472 L CB 1.016 43.112 42.059 0.062 0.000 1.162 472 L HN -0.190 nan 8.230 nan 0.000 0.435 473 R N 2.523 123.042 120.500 0.033 0.000 2.347 473 R HA 0.439 4.779 4.340 -0.001 0.000 0.304 473 R C -0.867 175.274 176.300 -0.264 0.000 1.072 473 R CA -0.475 55.487 56.100 -0.230 0.000 0.980 473 R CB 0.765 31.037 30.300 -0.046 0.000 0.986 473 R HN 0.325 nan 8.270 nan 0.000 0.448 474 V N 4.834 124.415 119.914 -0.555 0.000 2.483 474 V HA 0.511 4.631 4.120 -0.001 0.000 0.295 474 V C -0.495 175.104 176.094 -0.826 0.000 1.035 474 V CA -0.527 61.484 62.300 -0.481 0.000 0.896 474 V CB 1.131 32.761 31.823 -0.322 0.000 0.986 474 V HN 0.522 nan 8.190 nan 0.000 0.447 475 F N 1.380 120.887 119.950 -0.739 0.000 2.613 475 F HA 0.747 5.273 4.527 -0.001 0.000 0.314 475 F C 0.260 175.741 175.800 -0.533 0.000 1.075 475 F CA -0.557 57.026 58.000 -0.696 0.000 0.945 475 F CB 2.388 40.752 39.000 -1.061 0.000 1.310 475 F HN 0.508 nan 8.300 nan 0.000 0.467 476 S N 2.147 117.890 115.700 0.072 0.000 2.568 476 S HA 0.873 5.343 4.470 -0.001 0.000 0.293 476 S C -1.663 173.119 174.600 0.303 0.000 1.089 476 S CA -0.724 57.578 58.200 0.169 0.000 0.945 476 S CB 2.106 65.359 63.200 0.089 0.000 1.077 476 S HN 0.807 nan 8.310 nan 0.000 0.485 477 L N 2.316 123.731 121.223 0.320 0.000 2.493 477 L HA 0.565 4.905 4.340 -0.001 0.000 0.265 477 L C -2.267 174.730 176.870 0.212 0.000 0.954 477 L CA -0.731 54.252 54.840 0.238 0.000 0.844 477 L CB 2.160 44.452 42.059 0.387 0.000 1.302 477 L HN 1.028 nan 8.230 nan 0.000 0.405 478 Y N 3.521 123.786 120.300 -0.057 0.000 2.361 478 Y HA 0.749 5.299 4.550 -0.001 0.000 0.337 478 Y C -0.247 175.466 175.900 -0.312 0.000 0.965 478 Y CA -0.435 57.568 58.100 -0.161 0.000 1.091 478 Y CB 2.120 40.492 38.460 -0.147 0.000 1.182 478 Y HN 0.548 nan 8.280 nan 0.000 0.450 479 G N 5.910 113.836 108.800 -1.457 0.000 2.571 479 G HA2 0.600 4.559 3.960 -0.001 0.000 0.304 479 G HA3 0.600 4.559 3.960 -0.001 0.000 0.304 479 G C -2.203 171.830 174.900 -1.445 0.000 1.314 479 G CA -0.871 43.380 45.100 -1.414 0.000 0.975 479 G HN 0.809 nan 8.290 nan 0.000 0.485 480 I N 1.509 121.708 120.570 -0.618 0.000 2.499 480 I HA 0.609 4.779 4.170 -0.001 0.000 0.288 480 I C -1.156 174.970 176.117 0.014 0.000 1.048 480 I CA -0.885 60.257 61.300 -0.264 0.000 1.062 480 I CB 2.073 40.042 38.000 -0.053 0.000 1.238 480 I HN 0.266 nan 8.210 nan 0.000 0.426 481 V N 6.078 126.079 119.914 0.145 0.000 2.417 481 V HA 0.460 4.580 4.120 -0.001 0.000 0.291 481 V C -0.791 175.472 176.094 0.282 0.000 1.024 481 V CA -0.364 62.097 62.300 0.269 0.000 0.861 481 V CB 1.584 33.611 31.823 0.340 0.000 0.985 481 V HN 0.689 nan 8.190 nan 0.000 0.436 482 D N 3.805 124.346 120.400 0.236 0.000 2.552 482 D HA 0.362 5.002 4.640 -0.001 0.000 0.285 482 D C 0.654 176.987 176.300 0.055 0.000 1.206 482 D CA -0.425 53.671 54.000 0.159 0.000 0.826 482 D CB 0.252 41.190 40.800 0.230 0.000 1.179 482 D HN 0.618 nan 8.370 nan 0.000 0.508 483 K N 0.757 121.246 120.400 0.148 0.000 6.581 483 K HA -0.311 4.008 4.320 -0.001 0.000 0.456 483 K C 0.761 177.204 176.600 -0.261 0.000 0.402 483 K CA 2.118 58.447 56.287 0.070 0.000 1.893 483 K CB -1.099 31.393 32.500 -0.013 0.000 0.843 483 K HN 0.606 nan 8.250 nan 0.000 0.751 484 N N -0.017 118.358 118.700 -0.541 0.000 2.167 484 N HA 0.250 4.989 4.740 -0.001 0.000 0.234 484 N C -0.292 174.567 175.510 -1.085 0.000 1.312 484 N CA -0.321 52.010 53.050 -1.198 0.000 0.861 484 N CB 0.898 38.900 38.487 -0.808 0.000 1.217 484 N HN 0.251 nan 8.380 nan 0.000 0.504 485 I N 0.886 121.152 120.570 -0.506 0.000 2.607 485 I HA 0.495 4.665 4.170 -0.001 0.000 0.290 485 I C -1.839 174.358 176.117 0.132 0.000 1.129 485 I CA -1.055 60.130 61.300 -0.190 0.000 1.042 485 I CB 2.479 40.249 38.000 -0.383 0.000 1.242 485 I HN 0.064 nan 8.210 nan 0.000 0.421 486 I N 7.057 127.753 120.570 0.209 0.000 2.465 486 I HA 0.457 4.627 4.170 -0.001 0.000 0.291 486 I C -1.048 175.084 176.117 0.025 0.000 1.014 486 I CA -0.218 61.171 61.300 0.147 0.000 1.093 486 I CB 1.454 39.535 38.000 0.135 0.000 1.267 486 I HN 0.608 nan 8.210 nan 0.000 0.431 487 E N 7.982 128.172 120.200 -0.018 0.000 2.176 487 E HA 0.491 4.840 4.350 -0.001 0.000 0.267 487 E C -1.421 174.972 176.600 -0.345 0.000 0.893 487 E CA -0.685 55.621 56.400 -0.157 0.000 0.761 487 E CB 2.427 32.144 29.700 0.029 0.000 1.133 487 E HN 0.516 nan 8.360 nan 0.000 0.409 488 L N 3.342 124.197 121.223 -0.613 0.000 2.341 488 L HA 0.485 4.825 4.340 -0.001 0.000 0.278 488 L C -1.172 174.990 176.870 -1.180 0.000 1.005 488 L CA -0.999 53.380 54.840 -0.768 0.000 0.818 488 L CB 0.888 42.510 42.059 -0.727 0.000 1.259 488 L HN 0.528 nan 8.230 nan 0.000 0.418 489 Y N 2.372 122.254 120.300 -0.696 0.000 2.332 489 Y HA 0.462 5.012 4.550 -0.000 0.000 0.326 489 Y C -0.479 175.112 175.900 -0.516 0.000 0.978 489 Y CA -0.596 57.188 58.100 -0.526 0.000 1.205 489 Y CB 1.101 39.430 38.460 -0.218 0.000 1.131 489 Y HN 0.285 nan 8.280 nan 0.000 0.462 490 F N 2.219 122.112 119.950 -0.094 0.000 2.404 490 F HA 0.312 4.838 4.527 -0.001 0.000 0.339 490 F C 0.443 176.231 175.800 -0.020 0.000 1.105 490 F CA -1.072 56.803 58.000 -0.208 0.000 1.087 490 F CB 0.916 39.719 39.000 -0.328 0.000 1.143 490 F HN 0.495 nan 8.300 nan 0.000 0.491 491 N N 2.464 121.295 118.700 0.218 0.000 2.688 491 N HA -0.261 4.479 4.740 -0.001 0.000 0.258 491 N C -0.414 175.145 175.510 0.082 0.000 1.016 491 N CA 1.274 54.416 53.050 0.154 0.000 0.747 491 N CB -1.272 37.321 38.487 0.177 0.000 0.895 491 N HN 0.759 nan 8.380 nan 0.000 0.543 492 D N -1.116 119.313 120.400 0.048 0.000 2.699 492 D HA -0.143 4.496 4.640 -0.001 0.000 0.239 492 D C 0.936 177.227 176.300 -0.014 0.000 1.136 492 D CA 2.645 56.639 54.000 -0.009 0.000 0.668 492 D CB -1.235 39.552 40.800 -0.023 0.000 1.060 492 D HN 1.036 nan 8.370 nan 0.000 0.429 493 G N -1.435 107.380 108.800 0.024 0.000 2.143 493 G HA2 -0.372 3.588 3.960 -0.001 0.000 0.249 493 G HA3 -0.372 3.588 3.960 -0.001 0.000 0.249 493 G C 1.208 176.132 174.900 0.040 0.000 0.981 493 G CA 0.916 46.037 45.100 0.035 0.000 0.665 493 G HN 0.548 nan 8.290 nan 0.000 0.528 494 T N -1.078 113.524 114.554 0.079 0.000 2.746 494 T HA 0.196 4.545 4.350 -0.001 0.000 0.267 494 T C 1.288 176.067 174.700 0.131 0.000 1.039 494 T CA 1.820 63.983 62.100 0.105 0.000 1.142 494 T CB 0.072 69.023 68.868 0.137 0.000 0.866 494 T HN 1.467 nan 8.240 nan 0.000 0.444 495 V N -0.437 119.582 119.914 0.174 0.000 2.789 495 V HA 0.870 4.989 4.120 -0.001 0.000 0.311 495 V C -1.517 174.599 176.094 0.037 0.000 1.073 495 V CA -1.109 61.294 62.300 0.172 0.000 0.921 495 V CB 1.738 33.727 31.823 0.276 0.000 1.009 495 V HN 0.283 nan 8.190 nan 0.000 0.426 496 A N 6.988 129.741 122.820 -0.112 0.000 2.355 496 A HA 0.946 5.265 4.320 -0.001 0.000 0.324 496 A C -0.598 176.792 177.584 -0.324 0.000 1.117 496 A CA -0.762 51.025 52.037 -0.417 0.000 0.785 496 A CB 1.761 20.454 19.000 -0.512 0.000 1.254 496 A HN 1.499 nan 8.150 nan 0.000 0.453 497 M N 2.195 121.529 119.600 -0.442 0.000 2.213 497 M HA 0.440 4.919 4.480 -0.001 0.000 0.286 497 M C -1.581 174.571 176.300 -0.247 0.000 1.008 497 M CA -0.013 55.157 55.300 -0.216 0.000 0.937 497 M CB 1.844 34.451 32.600 0.011 0.000 1.600 497 M HN 0.609 nan 8.290 nan 0.000 0.450 498 T N 4.406 118.876 114.554 -0.140 0.000 2.786 498 T HA 0.581 4.930 4.350 -0.001 0.000 0.283 498 T C -0.887 173.818 174.700 0.008 0.000 0.992 498 T CA -0.726 61.343 62.100 -0.052 0.000 0.954 498 T CB 0.823 69.734 68.868 0.072 0.000 0.934 498 T HN 0.640 nan 8.240 nan 0.000 0.440 499 N N 1.966 120.677 118.700 0.018 0.000 2.287 499 N HA 0.366 5.105 4.740 -0.001 0.000 0.289 499 N C -0.257 175.300 175.510 0.078 0.000 1.066 499 N CA -0.568 52.507 53.050 0.041 0.000 0.841 499 N CB 2.417 40.921 38.487 0.029 0.000 1.599 499 N HN 0.698 nan 8.380 nan 0.000 0.476 500 T N -0.827 113.767 114.554 0.065 0.000 2.828 500 T HA 0.721 5.070 4.350 -0.001 0.000 0.290 500 T C -0.071 174.675 174.700 0.078 0.000 1.019 500 T CA -0.288 61.781 62.100 -0.053 0.000 1.031 500 T CB 0.258 69.106 68.868 -0.034 0.000 1.001 500 T HN 0.420 nan 8.240 nan 0.000 0.531 501 F N -1.626 118.078 119.950 -0.411 0.000 2.654 501 F HA 0.744 5.270 4.527 -0.001 0.000 0.308 501 F C -2.121 173.257 175.800 -0.704 0.000 1.108 501 F CA -2.174 55.693 58.000 -0.222 0.000 0.957 501 F CB 1.221 40.201 39.000 -0.034 0.000 1.309 501 F HN 0.457 nan 8.300 nan 0.000 0.446 502 F N 3.386 123.482 119.950 0.242 0.000 2.646 502 F HA 0.515 5.041 4.527 -0.001 0.000 0.364 502 F C -0.136 175.782 175.800 0.196 0.000 1.137 502 F CA -0.747 57.304 58.000 0.085 0.000 1.085 502 F CB 1.616 40.573 39.000 -0.071 0.000 1.331 502 F HN 0.385 nan 8.300 nan 0.000 0.472 503 M N 1.535 121.347 119.600 0.352 0.000 2.198 503 M HA 0.336 4.816 4.480 -0.001 0.000 0.315 503 M C 1.152 177.593 176.300 0.236 0.000 1.134 503 M CA -0.109 55.365 55.300 0.290 0.000 1.171 503 M CB 0.471 33.259 32.600 0.314 0.000 1.413 503 M HN 0.709 nan 8.290 nan 0.000 0.467 504 G N 0.677 109.551 108.800 0.122 0.000 2.614 504 G HA2 0.032 3.991 3.960 -0.001 0.000 0.239 504 G HA3 0.032 3.991 3.960 -0.001 0.000 0.239 504 G C -0.343 174.519 174.900 -0.063 0.000 1.240 504 G CA -0.486 44.642 45.100 0.048 0.000 0.842 504 G HN 0.811 nan 8.290 nan 0.000 0.584 505 E N -0.039 120.078 120.200 -0.138 0.000 2.652 505 E HA 0.201 4.550 4.350 -0.001 0.000 0.255 505 E C 1.528 177.721 176.600 -0.678 0.000 0.952 505 E CA 1.180 57.297 56.400 -0.471 0.000 0.947 505 E CB -0.178 29.406 29.700 -0.192 0.000 0.912 505 E HN 1.040 nan 8.360 nan 0.000 0.489 506 G N 4.087 112.004 108.800 -1.471 0.000 2.284 506 G HA2 -0.316 3.644 3.960 -0.001 0.000 0.247 506 G HA3 -0.316 3.644 3.960 -0.001 0.000 0.247 506 G C 0.030 174.854 174.900 -0.127 0.000 1.012 506 G CA 0.451 45.185 45.100 -0.609 0.000 0.618 506 G HN 0.533 nan 8.290 nan 0.000 0.521 507 K N 0.335 120.668 120.400 -0.112 0.000 2.174 507 K HA 0.635 4.954 4.320 -0.001 0.000 0.275 507 K C -0.229 176.603 176.600 0.387 0.000 1.015 507 K CA -0.320 56.013 56.287 0.077 0.000 0.933 507 K CB 0.882 33.393 32.500 0.018 0.000 1.025 507 K HN 0.635 nan 8.250 nan 0.000 0.463 508 Y N -1.121 119.360 120.300 0.302 0.000 2.638 508 Y HA 0.413 4.963 4.550 -0.001 0.000 0.335 508 Y C -3.054 173.105 175.900 0.431 0.000 1.155 508 Y CA -3.492 54.831 58.100 0.371 0.000 1.046 508 Y CB 0.462 39.132 38.460 0.350 0.000 1.303 508 Y HN 0.385 nan 8.280 nan 0.000 0.460 509 P HA 0.045 nan 4.420 nan 0.000 0.260 509 P C -0.224 177.294 177.300 0.363 0.000 1.172 509 P CA 0.902 64.212 63.100 0.349 0.000 0.760 509 P CB 0.223 32.179 31.700 0.426 0.000 0.773 510 H N 1.013 120.082 119.070 -0.002 0.000 2.735 510 H HA 0.102 4.658 4.556 -0.001 0.000 0.250 510 H C -0.128 175.129 175.328 -0.119 0.000 0.948 510 H CA 0.230 56.308 56.048 0.049 0.000 1.137 510 H CB 1.088 30.816 29.762 -0.057 0.000 1.440 510 H HN 0.518 nan 8.280 nan 0.000 0.444 511 D N 0.137 120.416 120.400 -0.201 0.000 2.661 511 D HA 0.436 5.076 4.640 -0.001 0.000 0.228 511 D C -0.913 175.149 176.300 -0.396 0.000 1.210 511 D CA -0.604 53.196 54.000 -0.333 0.000 0.826 511 D CB 2.014 42.695 40.800 -0.198 0.000 1.542 511 D HN -0.029 nan 8.370 nan 0.000 0.447 512 I N 0.492 120.815 120.570 -0.412 0.000 2.474 512 I HA 0.340 4.509 4.170 -0.001 0.000 0.294 512 I C -0.561 175.399 176.117 -0.261 0.000 1.005 512 I CA -0.729 60.366 61.300 -0.342 0.000 1.113 512 I CB 1.844 39.641 38.000 -0.338 0.000 1.289 512 I HN 0.267 nan 8.210 nan 0.000 0.436 513 Q N 5.881 125.545 119.800 -0.226 0.000 2.394 513 Q HA 0.685 5.024 4.340 -0.001 0.000 0.273 513 Q C -1.276 174.629 176.000 -0.158 0.000 1.089 513 Q CA -0.823 54.879 55.803 -0.170 0.000 0.812 513 Q CB 3.479 32.135 28.738 -0.136 0.000 1.353 513 Q HN 0.508 nan 8.270 nan 0.000 0.438 514 I N 2.130 122.633 120.570 -0.111 0.000 2.418 514 I HA 0.524 4.693 4.170 -0.001 0.000 0.287 514 I C -0.473 175.622 176.117 -0.037 0.000 1.008 514 I CA -1.012 60.249 61.300 -0.065 0.000 1.104 514 I CB 1.622 39.589 38.000 -0.056 0.000 1.264 514 I HN 0.361 nan 8.210 nan 0.000 0.438 515 V N 1.680 121.595 119.914 0.001 0.000 3.130 515 V HA 0.872 4.991 4.120 -0.001 0.000 0.310 515 V C -0.711 175.404 176.094 0.034 0.000 1.158 515 V CA -0.348 61.952 62.300 -0.001 0.000 1.029 515 V CB 2.108 33.921 31.823 -0.016 0.000 1.057 515 V HN 0.756 nan 8.190 nan 0.000 0.436 516 T N -0.452 114.109 114.554 0.012 0.000 2.821 516 T HA 0.467 4.816 4.350 -0.001 0.000 0.306 516 T C -0.809 173.871 174.700 -0.034 0.000 1.313 516 T CA -0.119 61.978 62.100 -0.005 0.000 1.012 516 T CB 2.196 71.113 68.868 0.081 0.000 1.298 516 T HN 0.865 nan 8.240 nan 0.000 0.502 517 D N 1.272 121.622 120.400 -0.084 0.000 2.379 517 D HA 0.139 4.779 4.640 -0.001 0.000 0.208 517 D C 0.936 177.217 176.300 -0.032 0.000 1.065 517 D CA 0.387 54.356 54.000 -0.051 0.000 0.848 517 D CB 0.299 41.068 40.800 -0.051 0.000 0.949 517 D HN 0.722 nan 8.370 nan 0.000 0.509 518 T N -1.099 113.441 114.554 -0.022 0.000 2.916 518 T HA 0.134 4.484 4.350 -0.001 0.000 0.303 518 T C 1.124 175.818 174.700 -0.009 0.000 1.025 518 T CA -0.164 61.929 62.100 -0.012 0.000 1.142 518 T CB 1.780 70.645 68.868 -0.003 0.000 0.947 518 T HN -0.047 nan 8.240 nan 0.000 0.544 519 E N 1.112 121.304 120.200 -0.012 0.000 2.170 519 E HA 0.012 4.361 4.350 -0.001 0.000 0.191 519 E C 0.663 177.256 176.600 -0.012 0.000 0.981 519 E CA 0.503 56.896 56.400 -0.011 0.000 0.830 519 E CB 0.294 29.987 29.700 -0.011 0.000 0.775 519 E HN 0.676 nan 8.360 nan 0.000 0.470 520 E N 0.794 120.984 120.200 -0.017 0.000 2.232 520 E HA 0.275 4.625 4.350 -0.001 0.000 0.265 520 E C -2.517 174.067 176.600 -0.027 0.000 1.001 520 E CA -2.581 53.807 56.400 -0.020 0.000 0.870 520 E CB 0.990 30.676 29.700 -0.023 0.000 1.175 520 E HN -0.111 nan 8.360 nan 0.000 0.407 521 P HA 0.083 nan 4.420 nan 0.000 0.281 521 P C 0.273 177.522 177.300 -0.086 0.000 1.286 521 P CA -0.136 62.944 63.100 -0.033 0.000 0.772 521 P CB 0.468 32.157 31.700 -0.019 0.000 0.862 522 L N 3.807 124.934 121.223 -0.161 0.000 2.408 522 L HA 0.402 4.741 4.340 -0.001 0.000 0.215 522 L C -0.237 176.277 176.870 -0.594 0.000 1.081 522 L CA 1.032 55.625 54.840 -0.411 0.000 0.840 522 L CB -0.176 41.528 42.059 -0.592 0.000 1.002 522 L HN 0.070 nan 8.230 nan 0.000 0.468 523 F N 0.374 120.317 119.950 -0.012 0.000 2.507 523 F HA 0.441 4.967 4.527 -0.001 0.000 0.325 523 F C 0.174 175.926 175.800 -0.079 0.000 1.116 523 F CA -0.759 57.212 58.000 -0.048 0.000 0.930 523 F CB 1.244 40.087 39.000 -0.262 0.000 1.146 523 F HN -0.153 nan 8.300 nan 0.000 0.447 524 E N 4.605 124.891 120.200 0.144 0.000 2.134 524 E HA 0.382 4.731 4.350 -0.001 0.000 0.278 524 E C -1.236 175.418 176.600 0.090 0.000 0.959 524 E CA -0.572 55.874 56.400 0.077 0.000 0.783 524 E CB 0.920 30.658 29.700 0.063 0.000 1.095 524 E HN 0.673 nan 8.360 nan 0.000 0.399 525 L N 5.342 126.573 121.223 0.013 0.000 2.334 525 L HA 0.181 4.521 4.340 -0.001 0.000 0.286 525 L C 1.452 178.353 176.870 0.052 0.000 1.108 525 L CA -0.273 54.582 54.840 0.025 0.000 0.875 525 L CB 0.451 42.470 42.059 -0.066 0.000 1.246 525 L HN 0.651 nan 8.230 nan 0.000 0.439 526 E N 1.077 121.325 120.200 0.079 0.000 2.153 526 E HA -0.107 4.243 4.350 -0.001 0.000 0.194 526 E C 0.421 177.053 176.600 0.053 0.000 0.988 526 E CA 0.750 57.183 56.400 0.055 0.000 0.811 526 E CB 0.432 30.159 29.700 0.045 0.000 0.746 526 E HN 0.517 nan 8.360 nan 0.000 0.466 527 S N -0.334 115.409 115.700 0.073 0.000 2.614 527 S HA 0.378 4.848 4.470 -0.001 0.000 0.275 527 S C -1.275 173.385 174.600 0.099 0.000 1.161 527 S CA -0.708 57.537 58.200 0.075 0.000 0.969 527 S CB 1.602 64.844 63.200 0.070 0.000 1.059 527 S HN -0.109 nan 8.310 nan 0.000 0.482 528 V N 6.269 126.237 119.914 0.090 0.000 2.443 528 V HA 0.585 4.704 4.120 -0.001 0.000 0.293 528 V C -0.833 175.333 176.094 0.120 0.000 1.021 528 V CA -0.475 61.891 62.300 0.110 0.000 0.848 528 V CB 1.427 33.294 31.823 0.075 0.000 0.998 528 V HN 0.841 nan 8.190 nan 0.000 0.424 529 I N 6.294 126.957 120.570 0.155 0.000 2.439 529 I HA 0.524 4.694 4.170 -0.001 0.000 0.283 529 I C -0.712 175.533 176.117 0.213 0.000 1.023 529 I CA -0.235 61.161 61.300 0.160 0.000 1.100 529 I CB 1.720 39.800 38.000 0.135 0.000 1.238 529 I HN 0.411 nan 8.210 nan 0.000 0.445 530 I N 6.250 126.962 120.570 0.237 0.000 2.378 530 I HA 0.509 4.678 4.170 -0.001 0.000 0.291 530 I C -0.234 176.108 176.117 0.375 0.000 0.992 530 I CA -0.588 60.902 61.300 0.317 0.000 1.154 530 I CB 1.511 39.681 38.000 0.285 0.000 1.315 530 I HN 0.505 nan 8.210 nan 0.000 0.448 531 R N 4.071 124.779 120.500 0.346 0.000 2.686 531 R HA 0.410 4.750 4.340 -0.001 0.000 0.286 531 R C -0.793 175.657 176.300 0.251 0.000 0.969 531 R CA -0.827 55.402 56.100 0.214 0.000 0.898 531 R CB 2.292 32.646 30.300 0.090 0.000 1.183 531 R HN 0.522 nan 8.270 nan 0.000 0.456 532 E N 3.065 123.231 120.200 -0.057 0.000 2.200 532 E HA 0.211 4.560 4.350 -0.001 0.000 0.283 532 E C -0.900 175.511 176.600 -0.315 0.000 1.015 532 E CA -0.540 55.648 56.400 -0.353 0.000 0.819 532 E CB 0.719 30.141 29.700 -0.464 0.000 1.081 532 E HN 0.145 nan 8.360 nan 0.000 0.397 533 L N 3.567 124.599 121.223 -0.318 0.000 2.286 533 L HA 0.565 4.904 4.340 -0.001 0.000 0.265 533 L C -0.146 176.609 176.870 -0.192 0.000 1.012 533 L CA -0.865 53.860 54.840 -0.193 0.000 0.818 533 L CB 1.448 43.437 42.059 -0.116 0.000 1.337 533 L HN 0.571 nan 8.230 nan 0.000 0.438 534 N N -0.847 117.778 118.700 -0.126 0.000 2.484 534 N HA 0.333 5.072 4.740 -0.001 0.000 0.269 534 N C -1.185 174.294 175.510 -0.052 0.000 1.237 534 N CA -0.644 52.348 53.050 -0.096 0.000 0.838 534 N CB 2.075 40.509 38.487 -0.088 0.000 1.593 534 N HN 0.531 nan 8.380 nan 0.000 0.485 535 K N 0.000 120.383 120.400 -0.029 0.000 2.780 535 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 535 K CA 0.000 56.308 56.287 0.035 0.000 0.838 535 K CB 0.000 32.518 32.500 0.030 0.000 1.064 535 K HN 0.000 nan 8.250 nan 0.000 0.543