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 1iq8_1_B DATA FIRST_RESID 6 DATA SEQUENCE KMLKFEIKAR DGAGRIGKLE VNGKKIETPA IMPVVNPKQM VVEPKELEKM DATA SEQUENCE GFEIIITNSY IIYKDEELRR KALELGIHRM LDYNGIIEVD SGSFQLMKYG DATA SEQUENCE SIEVSNREII EFQHRIGVDI GTFLDIPTPP DAPREQAVKE LEITLSRARE DATA SEQUENCE AEEIKEIPMN ATIQGSTYTD LRRYAARRLS SMNFEIHPIG GVVPLLESYR DATA SEQUENCE FRDVVDIVIS SKMALRPDRP VHLFGAGHPI VFALAVAMGV DLFDSASYAL DATA SEQUENCE YAKDDRYMTP EGTKRLDELD YFPCSCPVCS KYTPQELREM PKEERTRLLA DATA SEQUENCE LHNLWVIKEE IKRVKQAIKE GELWRLVDER ARSHPKLYSA YKRLLEHYTF DATA SEQUENCE LEEFEPITKK SALFKISNES LRWPVVRRAK ERAKSINERF GELVEHPIFG DATA SEQUENCE RVSRYLSLTY PFAQSEAEDD FKIEKPTKED AIKYVMAIAE YQFGEGASRA DATA SEQUENCE FDDAKVELSK TGMPRQVKVN GKRLATVRAD DGLLTLGIEG AKRLHRVLPY DATA SEQUENCE PRMRVVVNKE AEPFARKGKD VFAKFVIFAD PGIRPYDEVL VVNENDELLA DATA SEQUENCE TGQALLSGRE MIVFQYGRAV KVRKGVE 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 6 K HA 0.000 nan 4.320 nan 0.000 0.191 6 K C 0.000 176.634 176.600 0.057 0.000 0.988 6 K CA 0.000 56.345 56.287 0.097 0.000 0.838 6 K CB 0.000 32.538 32.500 0.064 0.000 1.064 7 M N 0.460 120.077 119.600 0.028 0.000 2.229 7 M HA 0.018 4.498 4.480 0.001 0.000 0.264 7 M C 0.585 176.886 176.300 0.001 0.000 1.063 7 M CA 1.156 56.461 55.300 0.010 0.000 1.114 7 M CB 0.183 32.785 32.600 0.003 0.000 1.387 7 M HN -0.058 nan 8.290 nan 0.000 0.420 8 L N 0.938 122.159 121.223 -0.003 0.000 2.385 8 L HA 0.503 4.844 4.340 0.001 0.000 0.273 8 L C -1.166 175.646 176.870 -0.097 0.000 0.990 8 L CA -0.227 54.591 54.840 -0.037 0.000 0.821 8 L CB 1.737 43.772 42.059 -0.041 0.000 1.279 8 L HN 0.061 nan 8.230 nan 0.000 0.412 9 K N 4.777 125.073 120.400 -0.174 0.000 2.259 9 K HA 0.587 4.908 4.320 0.001 0.000 0.252 9 K C -1.750 174.730 176.600 -0.199 0.000 0.936 9 K CA -0.563 55.438 56.287 -0.476 0.000 0.810 9 K CB 2.696 34.901 32.500 -0.493 0.000 1.143 9 K HN 0.377 nan 8.250 nan 0.000 0.427 10 F N 1.901 121.570 119.950 -0.468 0.000 2.607 10 F HA 0.272 4.800 4.527 0.001 0.000 0.322 10 F C -1.153 174.668 175.800 0.035 0.000 1.176 10 F CA -0.518 57.388 58.000 -0.157 0.000 0.977 10 F CB 1.694 40.641 39.000 -0.088 0.000 1.242 10 F HN 0.526 nan 8.300 nan 0.000 0.465 11 E N 6.018 125.961 120.200 -0.427 0.000 2.314 11 E HA 0.502 4.853 4.350 0.001 0.000 0.272 11 E C -1.302 175.003 176.600 -0.492 0.000 0.884 11 E CA -0.787 55.458 56.400 -0.259 0.000 0.753 11 E CB 2.040 31.670 29.700 -0.117 0.000 1.213 11 E HN 0.643 nan 8.360 nan 0.000 0.432 12 I N 4.235 124.561 120.570 -0.406 0.000 2.416 12 I HA 0.104 4.274 4.170 0.001 0.000 0.288 12 I C 0.948 176.909 176.117 -0.260 0.000 1.051 12 I CA 0.180 61.261 61.300 -0.364 0.000 1.375 12 I CB 0.951 38.741 38.000 -0.350 0.000 1.407 12 I HN 0.535 nan 8.210 nan 0.000 0.516 13 K N 4.643 124.921 120.400 -0.204 0.000 2.335 13 K HA 0.430 4.751 4.320 0.001 0.000 0.195 13 K C 0.208 176.750 176.600 -0.096 0.000 1.058 13 K CA 0.182 56.387 56.287 -0.137 0.000 0.988 13 K CB 0.648 33.078 32.500 -0.117 0.000 0.880 13 K HN 0.717 nan 8.250 nan 0.000 0.513 14 A N 1.461 124.225 122.820 -0.094 0.000 2.601 14 A HA 0.686 5.006 4.320 0.001 0.000 0.291 14 A C -1.549 176.000 177.584 -0.059 0.000 1.075 14 A CA -0.976 51.031 52.037 -0.050 0.000 0.671 14 A CB 1.289 20.262 19.000 -0.045 0.000 1.277 14 A HN 0.226 nan 8.150 nan 0.000 0.417 15 R N 0.254 120.739 120.500 -0.025 0.000 2.716 15 R HA 0.796 5.136 4.340 0.001 0.000 0.271 15 R C -2.355 173.930 176.300 -0.026 0.000 1.028 15 R CA -0.678 55.393 56.100 -0.047 0.000 0.883 15 R CB 1.769 32.021 30.300 -0.080 0.000 1.250 15 R HN 0.600 nan 8.270 nan 0.000 0.465 16 D N -0.300 120.062 120.400 -0.063 0.000 2.726 16 D HA 0.441 5.082 4.640 0.001 0.000 0.203 16 D C 0.218 176.433 176.300 -0.141 0.000 1.297 16 D CA 1.182 55.136 54.000 -0.077 0.000 0.863 16 D CB 1.759 42.488 40.800 -0.119 0.000 1.669 16 D HN 0.977 nan 8.370 nan 0.000 0.561 17 G N 2.381 111.154 108.800 -0.045 0.000 2.552 17 G HA2 -0.042 3.919 3.960 0.001 0.000 0.265 17 G HA3 -0.042 3.919 3.960 0.001 0.000 0.265 17 G C 0.920 175.830 174.900 0.018 0.000 1.234 17 G CA 0.312 45.415 45.100 0.004 0.000 0.944 17 G HN 1.251 nan 8.290 nan 0.000 0.568 18 A N 0.511 123.336 122.820 0.009 0.000 2.251 18 A HA 0.614 4.935 4.320 0.001 0.000 0.209 18 A C 1.574 179.099 177.584 -0.098 0.000 1.187 18 A CA 1.669 53.685 52.037 -0.036 0.000 0.823 18 A CB -0.600 18.409 19.000 0.015 0.000 0.846 18 A HN 2.183 nan 8.150 nan 0.000 0.486 19 G N 0.360 109.096 108.800 -0.107 0.000 2.507 19 G HA2 0.521 4.481 3.960 0.001 0.000 0.271 19 G HA3 0.521 4.481 3.960 0.001 0.000 0.271 19 G C -0.084 174.765 174.900 -0.084 0.000 1.189 19 G CA -0.521 44.521 45.100 -0.097 0.000 0.859 19 G HN 0.693 nan 8.290 nan 0.000 0.542 20 R N 0.062 120.530 120.500 -0.053 0.000 2.664 20 R HA 0.387 4.727 4.340 0.001 0.000 0.266 20 R C -1.850 174.428 176.300 -0.037 0.000 1.046 20 R CA -0.948 55.119 56.100 -0.055 0.000 0.885 20 R CB 1.052 31.317 30.300 -0.059 0.000 1.254 20 R HN 0.378 nan 8.270 nan 0.000 0.465 21 I N 1.545 122.076 120.570 -0.065 0.000 2.321 21 I HA 0.484 4.655 4.170 0.001 0.000 0.291 21 I C 0.291 176.338 176.117 -0.117 0.000 0.998 21 I CA -0.453 60.809 61.300 -0.063 0.000 1.227 21 I CB 1.913 39.874 38.000 -0.065 0.000 1.368 21 I HN 0.852 nan 8.210 nan 0.000 0.466 22 G N 4.870 113.601 108.800 -0.115 0.000 2.569 22 G HA2 0.501 4.462 3.960 0.001 0.000 0.300 22 G HA3 0.501 4.462 3.960 0.001 0.000 0.300 22 G C -1.418 173.369 174.900 -0.189 0.000 1.269 22 G CA -0.659 44.257 45.100 -0.307 0.000 0.959 22 G HN 0.491 nan 8.290 nan 0.000 0.478 23 K N 0.844 121.078 120.400 -0.277 0.000 2.316 23 K HA 0.516 4.836 4.320 0.001 0.000 0.267 23 K C -1.124 175.465 176.600 -0.018 0.000 1.025 23 K CA -0.594 55.626 56.287 -0.113 0.000 0.896 23 K CB 1.157 33.589 32.500 -0.113 0.000 1.124 23 K HN 0.376 nan 8.250 nan 0.000 0.451 24 L N 3.882 125.175 121.223 0.118 0.000 2.313 24 L HA 0.441 4.781 4.340 0.001 0.000 0.283 24 L C -1.066 175.838 176.870 0.056 0.000 1.013 24 L CA -0.314 54.645 54.840 0.199 0.000 0.816 24 L CB 1.299 43.495 42.059 0.227 0.000 1.236 24 L HN 0.741 nan 8.230 nan 0.000 0.419 25 E N 4.463 124.672 120.200 0.015 0.000 2.234 25 E HA 0.623 4.973 4.350 0.001 0.000 0.266 25 E C -1.918 174.671 176.600 -0.019 0.000 0.877 25 E CA -0.716 55.676 56.400 -0.015 0.000 0.758 25 E CB 2.154 31.832 29.700 -0.036 0.000 1.170 25 E HN 0.451 nan 8.360 nan 0.000 0.415 26 V N 3.747 123.656 119.914 -0.009 0.000 2.733 26 V HA 0.278 4.399 4.120 0.001 0.000 0.306 26 V C -0.401 175.691 176.094 -0.003 0.000 1.084 26 V CA -1.145 61.153 62.300 -0.004 0.000 0.905 26 V CB 1.601 33.429 31.823 0.009 0.000 1.010 26 V HN 0.918 nan 8.190 nan 0.000 0.424 27 N N 2.970 121.666 118.700 -0.007 0.000 2.735 27 N HA -0.189 4.551 4.740 0.001 0.000 0.248 27 N C 1.204 176.697 175.510 -0.030 0.000 1.083 27 N CA 2.045 55.084 53.050 -0.017 0.000 0.703 27 N CB -1.173 37.304 38.487 -0.016 0.000 1.005 27 N HN 1.785 nan 8.380 nan 0.000 0.550 28 G N -1.682 107.104 108.800 -0.023 0.000 2.304 28 G HA2 -0.411 3.550 3.960 0.001 0.000 0.252 28 G HA3 -0.411 3.550 3.960 0.001 0.000 0.252 28 G C 0.098 174.981 174.900 -0.030 0.000 1.014 28 G CA 0.813 45.897 45.100 -0.027 0.000 0.619 28 G HN 0.535 nan 8.290 nan 0.000 0.525 29 K N 1.175 121.557 120.400 -0.030 0.000 2.276 29 K HA 0.500 4.821 4.320 0.001 0.000 0.283 29 K C 0.172 176.761 176.600 -0.018 0.000 1.044 29 K CA 0.050 56.319 56.287 -0.029 0.000 0.944 29 K CB 0.897 33.381 32.500 -0.027 0.000 1.012 29 K HN 0.254 nan 8.250 nan 0.000 0.472 30 K N 2.787 123.175 120.400 -0.021 0.000 2.203 30 K HA 0.585 4.906 4.320 0.001 0.000 0.251 30 K C -0.484 176.108 176.600 -0.012 0.000 0.944 30 K CA -0.672 55.605 56.287 -0.015 0.000 0.829 30 K CB 1.595 34.082 32.500 -0.021 0.000 1.125 30 K HN 0.400 nan 8.250 nan 0.000 0.430 31 I N 0.860 121.429 120.570 -0.001 0.000 2.827 31 I HA 0.171 4.342 4.170 0.001 0.000 0.298 31 I C -0.922 175.198 176.117 0.006 0.000 1.235 31 I CA -0.756 60.543 61.300 -0.001 0.000 1.021 31 I CB 2.729 40.735 38.000 0.010 0.000 1.259 31 I HN 0.638 nan 8.210 nan 0.000 0.427 32 E N 2.900 123.094 120.200 -0.010 0.000 2.231 32 E HA 0.520 4.871 4.350 0.001 0.000 0.277 32 E C -1.018 175.585 176.600 0.005 0.000 0.999 32 E CA -0.369 56.023 56.400 -0.012 0.000 0.827 32 E CB 1.607 31.285 29.700 -0.037 0.000 1.101 32 E HN 0.646 nan 8.360 nan 0.000 0.393 33 T N 1.073 115.648 114.554 0.035 0.000 2.924 33 T HA 0.516 4.866 4.350 0.001 0.000 0.291 33 T C -2.692 172.026 174.700 0.030 0.000 1.045 33 T CA -2.450 59.682 62.100 0.054 0.000 1.015 33 T CB 1.554 70.511 68.868 0.148 0.000 1.103 33 T HN 0.200 nan 8.240 nan 0.000 0.496 34 P HA 0.402 nan 4.420 nan 0.000 0.264 34 P C -1.066 176.237 177.300 0.005 0.000 1.183 34 P CA 0.060 63.192 63.100 0.054 0.000 0.763 34 P CB 0.274 32.019 31.700 0.076 0.000 0.807 35 A N 3.478 126.310 122.820 0.019 0.000 2.498 35 A HA 0.742 5.063 4.320 0.001 0.000 0.298 35 A C -1.325 176.256 177.584 -0.004 0.000 1.075 35 A CA -0.580 51.444 52.037 -0.022 0.000 0.714 35 A CB 1.097 20.083 19.000 -0.023 0.000 1.299 35 A HN 0.497 nan 8.150 nan 0.000 0.407 36 I N 1.883 122.435 120.570 -0.029 0.000 2.465 36 I HA 0.624 4.795 4.170 0.001 0.000 0.291 36 I C -0.286 175.827 176.117 -0.007 0.000 1.014 36 I CA -0.972 60.308 61.300 -0.033 0.000 1.093 36 I CB 1.527 39.465 38.000 -0.104 0.000 1.267 36 I HN 0.685 nan 8.210 nan 0.000 0.431 37 M N 7.827 127.379 119.600 -0.080 0.000 2.101 37 M HA 0.663 5.143 4.480 0.001 0.000 0.340 37 M C -2.720 173.468 176.300 -0.188 0.000 1.057 37 M CA -1.671 53.565 55.300 -0.108 0.000 0.984 37 M CB 0.934 33.478 32.600 -0.093 0.000 1.560 37 M HN 0.236 nan 8.290 nan 0.000 0.435 38 P HA 0.125 nan 4.420 nan 0.000 0.271 38 P C -0.629 176.566 177.300 -0.174 0.000 1.216 38 P CA -0.293 62.573 63.100 -0.389 0.000 0.776 38 P CB 0.827 32.063 31.700 -0.774 0.000 0.881 39 V N 4.674 124.569 119.914 -0.031 0.000 2.385 39 V HA 0.175 4.295 4.120 0.001 0.000 0.269 39 V C 0.474 176.554 176.094 -0.024 0.000 1.043 39 V CA -0.346 61.925 62.300 -0.048 0.000 0.906 39 V CB 0.978 32.758 31.823 -0.072 0.000 0.995 39 V HN 0.358 nan 8.190 nan 0.000 0.467 40 V N 2.951 122.827 119.914 -0.064 0.000 2.394 40 V HA 0.526 4.647 4.120 0.001 0.000 0.282 40 V C -0.043 176.030 176.094 -0.034 0.000 1.031 40 V CA -0.659 61.608 62.300 -0.056 0.000 0.881 40 V CB 1.382 33.139 31.823 -0.109 0.000 0.982 40 V HN 0.875 nan 8.190 nan 0.000 0.451 41 N N 4.841 123.528 118.700 -0.023 0.000 2.419 41 N HA 0.422 5.163 4.740 0.001 0.000 0.264 41 N C -1.905 173.603 175.510 -0.003 0.000 1.031 41 N CA -1.812 51.236 53.050 -0.005 0.000 0.951 41 N CB 2.241 40.726 38.487 -0.004 0.000 1.101 41 N HN 0.450 nan 8.380 nan 0.000 0.488 42 P HA -0.119 nan 4.420 nan 0.000 0.218 42 P C 0.255 177.558 177.300 0.005 0.000 1.149 42 P CA 1.366 64.470 63.100 0.007 0.000 0.817 42 P CB 0.261 31.972 31.700 0.019 0.000 0.785 43 K N -1.435 118.968 120.400 0.005 0.000 2.361 43 K HA 0.086 4.407 4.320 0.001 0.000 0.196 43 K C 0.582 177.182 176.600 0.001 0.000 1.039 43 K CA 0.589 56.877 56.287 0.001 0.000 1.001 43 K CB 0.245 32.745 32.500 0.000 0.000 0.795 43 K HN 0.283 nan 8.250 nan 0.000 0.495 44 Q N 0.430 120.229 119.800 -0.001 0.000 2.280 44 Q HA 0.356 4.697 4.340 0.001 0.000 0.259 44 Q C -1.328 174.666 176.000 -0.010 0.000 0.964 44 Q CA -0.073 55.727 55.803 -0.005 0.000 0.844 44 Q CB 2.306 31.040 28.738 -0.007 0.000 1.334 44 Q HN 0.045 nan 8.270 nan 0.000 0.423 45 M N 2.908 122.505 119.600 -0.005 0.000 2.007 45 M HA 0.230 4.711 4.480 0.001 0.000 0.285 45 M C 0.594 176.898 176.300 0.007 0.000 0.893 45 M CA -0.269 55.029 55.300 -0.003 0.000 0.925 45 M CB 1.527 34.127 32.600 0.000 0.000 1.568 45 M HN 0.384 nan 8.290 nan 0.000 0.414 46 V N 1.684 121.598 119.914 -0.000 0.000 2.332 46 V HA -0.117 4.004 4.120 0.001 0.000 0.248 46 V C 0.839 176.962 176.094 0.047 0.000 1.055 46 V CA 1.352 63.661 62.300 0.015 0.000 1.038 46 V CB -0.469 31.348 31.823 -0.010 0.000 0.651 46 V HN 0.725 nan 8.190 nan 0.000 0.450 47 V N -1.881 118.074 119.914 0.067 0.000 2.588 47 V HA 0.577 4.698 4.120 0.001 0.000 0.304 47 V C -0.416 175.695 176.094 0.028 0.000 1.042 47 V CA -1.076 61.260 62.300 0.060 0.000 0.877 47 V CB 1.840 33.707 31.823 0.074 0.000 0.996 47 V HN 0.232 nan 8.190 nan 0.000 0.425 48 E N 4.749 124.963 120.200 0.025 0.000 2.383 48 E HA 0.213 4.563 4.350 0.001 0.000 0.264 48 E C -1.939 174.663 176.600 0.003 0.000 1.050 48 E CA -1.528 54.882 56.400 0.017 0.000 0.896 48 E CB 1.505 31.226 29.700 0.035 0.000 0.982 48 E HN 0.521 nan 8.360 nan 0.000 0.424 49 P HA -0.165 nan 4.420 nan 0.000 0.216 49 P C 0.922 178.306 177.300 0.139 0.000 1.150 49 P CA 1.515 64.581 63.100 -0.056 0.000 0.837 49 P CB 0.250 31.872 31.700 -0.130 0.000 0.786 50 K N -0.090 120.394 120.400 0.140 0.000 2.044 50 K HA -0.229 4.091 4.320 0.001 0.000 0.210 50 K C 2.193 178.863 176.600 0.118 0.000 1.049 50 K CA 1.695 58.069 56.287 0.146 0.000 0.927 50 K CB -0.480 32.076 32.500 0.094 0.000 0.713 50 K HN 0.246 nan 8.250 nan 0.000 0.443 51 E N 1.250 121.500 120.200 0.084 0.000 2.106 51 E HA -0.142 4.208 4.350 0.001 0.000 0.192 51 E C 2.004 178.650 176.600 0.077 0.000 0.984 51 E CA 0.619 57.061 56.400 0.070 0.000 0.806 51 E CB 0.025 29.758 29.700 0.056 0.000 0.750 51 E HN 0.211 nan 8.360 nan 0.000 0.458 52 L N 0.720 121.989 121.223 0.077 0.000 2.046 52 L HA -0.168 4.173 4.340 0.001 0.000 0.208 52 L C 2.710 179.729 176.870 0.249 0.000 1.077 52 L CA 1.572 56.489 54.840 0.128 0.000 0.747 52 L CB -0.436 41.593 42.059 -0.049 0.000 0.896 52 L HN 0.259 nan 8.230 nan 0.000 0.432 53 E N 0.470 120.839 120.200 0.283 0.000 2.110 53 E HA -0.240 4.111 4.350 0.001 0.000 0.193 53 E C 2.109 178.762 176.600 0.088 0.000 0.988 53 E CA 1.160 57.716 56.400 0.259 0.000 0.804 53 E CB 0.168 29.999 29.700 0.219 0.000 0.745 53 E HN 0.374 nan 8.360 nan 0.000 0.458 54 K N -0.303 120.139 120.400 0.070 0.000 2.217 54 K HA -0.033 4.287 4.320 0.001 0.000 0.202 54 K C 1.877 178.464 176.600 -0.023 0.000 1.051 54 K CA 1.003 57.305 56.287 0.024 0.000 0.952 54 K CB 0.023 32.547 32.500 0.041 0.000 0.736 54 K HN 0.244 nan 8.250 nan 0.000 0.453 55 M N -0.500 119.071 119.600 -0.047 0.000 2.659 55 M HA 0.029 4.510 4.480 0.001 0.000 0.243 55 M C 0.818 176.883 176.300 -0.392 0.000 1.111 55 M CA 0.804 55.972 55.300 -0.219 0.000 1.070 55 M CB 0.518 32.974 32.600 -0.241 0.000 1.525 55 M HN 0.451 nan 8.290 nan 0.000 0.517 56 G N 0.400 109.049 108.800 -0.252 0.000 2.176 56 G HA2 -0.236 3.725 3.960 0.001 0.000 0.232 56 G HA3 -0.236 3.725 3.960 0.001 0.000 0.232 56 G C -0.120 174.569 174.900 -0.353 0.000 0.986 56 G CA -0.677 44.237 45.100 -0.309 0.000 0.643 56 G HN 0.415 nan 8.290 nan 0.000 0.522 57 F N 1.860 121.759 119.950 -0.086 0.000 2.509 57 F HA 0.408 4.936 4.527 0.001 0.000 0.350 57 F C 1.243 177.093 175.800 0.084 0.000 1.220 57 F CA -0.396 57.569 58.000 -0.058 0.000 1.151 57 F CB 0.893 39.817 39.000 -0.127 0.000 1.379 57 F HN -0.063 nan 8.300 nan 0.000 0.610 58 E N 3.398 123.696 120.200 0.164 0.000 2.445 58 E HA 0.185 4.536 4.350 0.001 0.000 0.189 58 E C 0.033 176.771 176.600 0.230 0.000 1.069 58 E CA 0.235 56.726 56.400 0.152 0.000 0.871 58 E CB 0.527 30.239 29.700 0.019 0.000 0.991 58 E HN 0.560 nan 8.360 nan 0.000 0.481 59 I N 0.677 121.412 120.570 0.274 0.000 2.649 59 I HA 0.292 4.462 4.170 0.001 0.000 0.289 59 I C -1.227 174.948 176.117 0.097 0.000 1.222 59 I CA -0.884 60.538 61.300 0.203 0.000 1.046 59 I CB 1.246 39.298 38.000 0.087 0.000 1.272 59 I HN -0.130 nan 8.210 nan 0.000 0.425 60 I N 5.046 125.624 120.570 0.015 0.000 3.239 60 I HA 0.674 4.845 4.170 0.001 0.000 0.314 60 I C -1.681 174.381 176.117 -0.091 0.000 1.126 60 I CA -0.936 60.270 61.300 -0.156 0.000 0.973 60 I CB 2.352 40.089 38.000 -0.438 0.000 1.252 60 I HN 0.604 nan 8.210 nan 0.000 0.463 61 I N 0.818 121.328 120.570 -0.101 0.000 2.722 61 I HA 0.604 4.774 4.170 0.001 0.000 0.295 61 I C -1.139 174.951 176.117 -0.045 0.000 1.161 61 I CA 0.116 61.394 61.300 -0.037 0.000 1.032 61 I CB 2.374 40.384 38.000 0.016 0.000 1.244 61 I HN 0.882 nan 8.210 nan 0.000 0.421 62 T N 4.132 118.679 114.554 -0.011 0.000 2.838 62 T HA 0.343 4.694 4.350 0.001 0.000 0.292 62 T C -0.860 173.874 174.700 0.058 0.000 1.113 62 T CA -0.720 61.383 62.100 0.005 0.000 1.008 62 T CB 1.423 70.285 68.868 -0.011 0.000 1.259 62 T HN 0.492 nan 8.240 nan 0.000 0.520 63 N N 1.373 120.123 118.700 0.084 0.000 2.439 63 N HA 0.168 4.908 4.740 0.001 0.000 0.249 63 N C 1.286 176.895 175.510 0.164 0.000 1.003 63 N CA -0.168 52.965 53.050 0.138 0.000 0.942 63 N CB 1.209 39.795 38.487 0.166 0.000 1.115 63 N HN 0.660 nan 8.380 nan 0.000 0.505 64 S N 3.682 119.495 115.700 0.188 0.000 2.383 64 S HA -0.180 4.290 4.470 0.001 0.000 0.227 64 S C 1.807 176.599 174.600 0.319 0.000 1.026 64 S CA 0.550 58.909 58.200 0.264 0.000 0.981 64 S CB -0.545 62.807 63.200 0.253 0.000 0.818 64 S HN 0.687 nan 8.310 nan 0.000 0.472 65 Y N 2.533 122.916 120.300 0.137 0.000 2.114 65 Y HA -0.011 4.539 4.550 0.001 0.000 0.284 65 Y C 2.040 178.011 175.900 0.119 0.000 1.143 65 Y CA 1.051 59.221 58.100 0.116 0.000 1.135 65 Y CB -0.636 37.866 38.460 0.071 0.000 0.980 65 Y HN 0.211 nan 8.280 nan 0.000 0.499 66 I N -0.268 120.343 120.570 0.069 0.000 2.194 66 I HA -0.372 3.798 4.170 0.001 0.000 0.246 66 I C 2.331 178.417 176.117 -0.051 0.000 1.093 66 I CA 1.710 62.983 61.300 -0.046 0.000 1.355 66 I CB -0.434 37.598 38.000 0.052 0.000 1.046 66 I HN 0.275 nan 8.210 nan 0.000 0.413 67 I N -0.467 120.142 120.570 0.064 0.000 2.163 67 I HA -0.334 3.837 4.170 0.001 0.000 0.240 67 I C 2.633 178.791 176.117 0.069 0.000 1.081 67 I CA 1.487 62.854 61.300 0.112 0.000 1.353 67 I CB -0.551 37.593 38.000 0.240 0.000 1.054 67 I HN 0.184 nan 8.210 nan 0.000 0.407 68 Y N 2.216 122.454 120.300 -0.104 0.000 2.256 68 Y HA -0.224 4.327 4.550 0.001 0.000 0.288 68 Y C 2.019 177.658 175.900 -0.434 0.000 1.155 68 Y CA 1.568 59.348 58.100 -0.533 0.000 1.203 68 Y CB -0.010 37.994 38.460 -0.760 0.000 0.980 68 Y HN -0.036 nan 8.280 nan 0.000 0.530 69 K N 0.593 120.713 120.400 -0.466 0.000 2.417 69 K HA 0.047 4.368 4.320 0.001 0.000 0.196 69 K C -0.462 175.934 176.600 -0.339 0.000 1.023 69 K CA 0.292 56.272 56.287 -0.513 0.000 1.122 69 K CB -0.170 31.958 32.500 -0.620 0.000 0.850 69 K HN 0.366 nan 8.250 nan 0.000 0.521 70 D N 1.121 121.369 120.400 -0.253 0.000 2.440 70 D HA 0.080 4.720 4.640 0.001 0.000 0.239 70 D C 0.358 176.577 176.300 -0.134 0.000 1.084 70 D CA 0.016 53.921 54.000 -0.159 0.000 0.843 70 D CB 1.190 41.931 40.800 -0.099 0.000 1.097 70 D HN -0.023 nan 8.370 nan 0.000 0.531 71 E N 2.502 122.625 120.200 -0.128 0.000 2.072 71 E HA -0.272 4.079 4.350 0.001 0.000 0.218 71 E C 1.397 177.964 176.600 -0.054 0.000 1.051 71 E CA 1.450 57.791 56.400 -0.099 0.000 0.880 71 E CB 0.164 29.817 29.700 -0.079 0.000 0.783 71 E HN 0.578 nan 8.360 nan 0.000 0.473 72 E N 0.467 120.644 120.200 -0.038 0.000 2.026 72 E HA -0.235 4.116 4.350 0.001 0.000 0.206 72 E C 2.255 178.857 176.600 0.003 0.000 1.028 72 E CA 1.119 57.510 56.400 -0.015 0.000 0.845 72 E CB -0.526 29.166 29.700 -0.013 0.000 0.772 72 E HN 0.117 nan 8.360 nan 0.000 0.462 73 L N 1.000 122.224 121.223 0.003 0.000 2.051 73 L HA -0.224 4.117 4.340 0.001 0.000 0.214 73 L C 2.605 179.519 176.870 0.073 0.000 1.076 73 L CA 1.703 56.562 54.840 0.031 0.000 0.758 73 L CB -0.852 41.222 42.059 0.025 0.000 0.890 73 L HN 0.138 nan 8.230 nan 0.000 0.433 74 R N -0.573 119.963 120.500 0.059 0.000 2.080 74 R HA -0.172 4.168 4.340 0.001 0.000 0.236 74 R C 2.450 178.831 176.300 0.135 0.000 1.137 74 R CA 1.573 57.753 56.100 0.134 0.000 0.943 74 R CB -0.093 30.185 30.300 -0.036 0.000 0.846 74 R HN 0.286 nan 8.270 nan 0.000 0.431 75 R N 0.491 121.027 120.500 0.059 0.000 2.097 75 R HA -0.165 4.176 4.340 0.001 0.000 0.236 75 R C 2.418 178.753 176.300 0.058 0.000 1.135 75 R CA 2.194 58.325 56.100 0.052 0.000 0.934 75 R CB -0.327 29.987 30.300 0.022 0.000 0.846 75 R HN 0.236 nan 8.270 nan 0.000 0.431 76 K N 0.397 120.826 120.400 0.048 0.000 2.063 76 K HA -0.138 4.183 4.320 0.001 0.000 0.208 76 K C 2.271 178.900 176.600 0.048 0.000 1.048 76 K CA 1.404 57.717 56.287 0.043 0.000 0.928 76 K CB -0.253 32.269 32.500 0.036 0.000 0.713 76 K HN 0.204 nan 8.250 nan 0.000 0.442 77 A N 1.715 124.576 122.820 0.068 0.000 1.851 77 A HA -0.169 4.152 4.320 0.001 0.000 0.216 77 A C 2.145 179.735 177.584 0.010 0.000 1.195 77 A CA 1.472 53.536 52.037 0.045 0.000 0.622 77 A CB -0.825 18.236 19.000 0.102 0.000 0.831 77 A HN 0.188 nan 8.150 nan 0.000 0.444 78 L N -0.985 120.270 121.223 0.052 0.000 2.275 78 L HA -0.144 4.197 4.340 0.001 0.000 0.215 78 L C 2.520 179.412 176.870 0.035 0.000 1.119 78 L CA 1.381 56.244 54.840 0.040 0.000 0.790 78 L CB -0.377 41.752 42.059 0.116 0.000 0.919 78 L HN 0.521 nan 8.230 nan 0.000 0.443 79 E N 0.910 121.134 120.200 0.040 0.000 2.014 79 E HA -0.120 4.231 4.350 0.001 0.000 0.190 79 E C 1.989 178.605 176.600 0.027 0.000 0.980 79 E CA 1.376 57.795 56.400 0.033 0.000 0.807 79 E CB -0.040 29.680 29.700 0.033 0.000 0.770 79 E HN 0.360 nan 8.360 nan 0.000 0.451 80 L N -1.161 120.080 121.223 0.029 0.000 2.463 80 L HA 0.413 4.754 4.340 0.001 0.000 0.219 80 L C 0.862 177.755 176.870 0.039 0.000 1.088 80 L CA 0.049 54.909 54.840 0.032 0.000 0.849 80 L CB -0.059 42.022 42.059 0.036 0.000 1.012 80 L HN 0.305 nan 8.230 nan 0.000 0.468 81 G N 0.982 109.800 108.800 0.029 0.000 2.712 81 G HA2 -0.180 3.781 3.960 0.001 0.000 0.686 81 G HA3 -0.180 3.781 3.960 0.001 0.000 0.686 81 G C 0.215 175.136 174.900 0.034 0.000 1.181 81 G CA -0.286 44.833 45.100 0.030 0.000 0.762 81 G HN 0.137 nan 8.290 nan 0.000 0.641 82 I N -1.085 119.478 120.570 -0.011 0.000 2.208 82 I HA -0.152 4.018 4.170 0.001 0.000 0.245 82 I C 2.242 178.350 176.117 -0.014 0.000 1.097 82 I CA 2.292 63.567 61.300 -0.043 0.000 1.363 82 I CB -0.822 37.107 38.000 -0.118 0.000 1.051 82 I HN 0.686 nan 8.210 nan 0.000 0.413 83 H N 1.650 120.751 119.070 0.052 0.000 2.321 83 H HA -0.084 4.473 4.556 0.001 0.000 0.295 83 H C 2.199 177.565 175.328 0.064 0.000 1.102 83 H CA 1.979 58.071 56.048 0.072 0.000 1.266 83 H CB -0.163 29.622 29.762 0.038 0.000 1.363 83 H HN 0.349 nan 8.280 nan 0.000 0.492 84 R N 0.143 120.742 120.500 0.165 0.000 2.161 84 R HA 0.014 4.355 4.340 0.001 0.000 0.213 84 R C 2.387 178.732 176.300 0.076 0.000 1.055 84 R CA 0.180 56.340 56.100 0.100 0.000 0.996 84 R CB -0.467 29.875 30.300 0.071 0.000 0.901 84 R HN 0.382 nan 8.270 nan 0.000 0.456 85 M N 0.297 119.937 119.600 0.066 0.000 2.229 85 M HA -0.090 4.391 4.480 0.001 0.000 0.264 85 M C 0.586 176.915 176.300 0.049 0.000 1.063 85 M CA 1.512 56.841 55.300 0.048 0.000 1.114 85 M CB 0.218 32.840 32.600 0.036 0.000 1.387 85 M HN -0.028 nan 8.290 nan 0.000 0.420 86 L N -0.013 121.247 121.223 0.061 0.000 2.607 86 L HA 0.147 4.488 4.340 0.001 0.000 0.228 86 L C 0.479 177.414 176.870 0.109 0.000 1.123 86 L CA 0.444 55.322 54.840 0.063 0.000 0.890 86 L CB -0.259 41.822 42.059 0.036 0.000 1.103 86 L HN 0.283 nan 8.230 nan 0.000 0.468 87 D N 0.118 120.588 120.400 0.117 0.000 2.689 87 D HA -0.322 4.318 4.640 0.001 0.000 0.237 87 D C -0.830 175.584 176.300 0.190 0.000 1.148 87 D CA 0.656 54.727 54.000 0.119 0.000 0.656 87 D CB -0.694 40.158 40.800 0.087 0.000 1.050 87 D HN 0.288 nan 8.370 nan 0.000 0.426 88 Y N 0.667 121.002 120.300 0.059 0.000 2.346 88 Y HA 0.398 4.949 4.550 0.001 0.000 0.332 88 Y C 0.145 176.127 175.900 0.136 0.000 0.985 88 Y CA -0.990 57.151 58.100 0.069 0.000 1.112 88 Y CB 0.935 39.419 38.460 0.040 0.000 1.170 88 Y HN -0.122 nan 8.280 nan 0.000 0.447 89 N N 4.170 122.664 118.700 -0.344 0.000 2.380 89 N HA 0.199 4.940 4.740 0.001 0.000 0.255 89 N C 0.148 175.414 175.510 -0.407 0.000 1.158 89 N CA 0.188 53.087 53.050 -0.251 0.000 0.878 89 N CB 1.089 39.474 38.487 -0.169 0.000 1.138 89 N HN 0.858 nan 8.380 nan 0.000 0.509 90 G N -0.052 108.258 108.800 -0.817 0.000 2.795 90 G HA2 0.571 4.532 3.960 0.001 0.000 0.267 90 G HA3 0.571 4.532 3.960 0.001 0.000 0.267 90 G C -0.166 174.767 174.900 0.054 0.000 1.362 90 G CA -0.628 44.182 45.100 -0.483 0.000 1.048 90 G HN 0.119 nan 8.290 nan 0.000 0.547 91 I N 0.832 121.504 120.570 0.170 0.000 2.452 91 I HA 0.205 4.376 4.170 0.001 0.000 0.287 91 I C -0.296 175.987 176.117 0.276 0.000 1.079 91 I CA 0.303 61.731 61.300 0.213 0.000 1.387 91 I CB 0.721 38.792 38.000 0.119 0.000 1.404 91 I HN 0.063 nan 8.210 nan 0.000 0.522 92 I N 6.847 127.544 120.570 0.210 0.000 2.362 92 I HA 0.301 4.471 4.170 0.001 0.000 0.289 92 I C 0.087 176.221 176.117 0.028 0.000 0.994 92 I CA -0.411 60.927 61.300 0.063 0.000 1.158 92 I CB 1.502 39.410 38.000 -0.154 0.000 1.315 92 I HN 0.622 nan 8.210 nan 0.000 0.451 93 E N 5.587 125.801 120.200 0.024 0.000 2.222 93 E HA 0.665 5.016 4.350 0.001 0.000 0.267 93 E C -1.732 174.883 176.600 0.026 0.000 0.963 93 E CA -0.683 55.737 56.400 0.034 0.000 0.837 93 E CB 2.771 32.503 29.700 0.054 0.000 1.183 93 E HN 0.346 nan 8.360 nan 0.000 0.403 94 V N 2.427 122.363 119.914 0.036 0.000 2.789 94 V HA 0.253 4.374 4.120 0.001 0.000 0.311 94 V C -1.480 174.647 176.094 0.055 0.000 1.073 94 V CA -0.764 61.563 62.300 0.046 0.000 0.921 94 V CB 2.117 33.965 31.823 0.042 0.000 1.009 94 V HN 0.829 nan 8.190 nan 0.000 0.426 95 D N 3.165 123.618 120.400 0.088 0.000 2.280 95 D HA 0.214 4.855 4.640 0.001 0.000 0.243 95 D C 1.272 177.612 176.300 0.066 0.000 1.129 95 D CA 0.480 54.534 54.000 0.091 0.000 0.848 95 D CB 1.931 42.845 40.800 0.190 0.000 1.107 95 D HN 0.675 nan 8.370 nan 0.000 0.471 96 S N 2.619 118.308 115.700 -0.018 0.000 2.559 96 S HA -0.044 4.427 4.470 0.001 0.000 0.250 96 S C 1.705 176.322 174.600 0.029 0.000 0.977 96 S CA 0.629 58.820 58.200 -0.014 0.000 0.958 96 S CB -0.621 62.518 63.200 -0.102 0.000 0.751 96 S HN 0.943 nan 8.310 nan 0.000 0.534 97 G N 0.976 109.831 108.800 0.091 0.000 2.179 97 G HA2 -0.376 3.585 3.960 0.001 0.000 0.260 97 G HA3 -0.376 3.585 3.960 0.001 0.000 0.260 97 G C 1.007 175.917 174.900 0.017 0.000 0.977 97 G CA 0.777 45.958 45.100 0.135 0.000 0.641 97 G HN 1.349 nan 8.290 nan 0.000 0.533 98 S N -0.485 115.205 115.700 -0.015 0.000 2.493 98 S HA -0.004 4.466 4.470 0.001 0.000 0.243 98 S C 1.746 176.400 174.600 0.090 0.000 0.991 98 S CA 1.389 59.569 58.200 -0.033 0.000 0.957 98 S CB -0.337 62.816 63.200 -0.078 0.000 0.756 98 S HN 0.940 nan 8.310 nan 0.000 0.521 99 F N 2.188 122.150 119.950 0.020 0.000 2.546 99 F HA 0.120 4.647 4.527 0.001 0.000 0.298 99 F C 1.961 177.827 175.800 0.110 0.000 1.120 99 F CA 0.642 58.695 58.000 0.089 0.000 1.456 99 F CB -0.328 38.761 39.000 0.149 0.000 1.088 99 F HN 0.154 nan 8.300 nan 0.000 0.572 100 Q N -0.670 119.151 119.800 0.035 0.000 2.376 100 Q HA 0.079 4.420 4.340 0.001 0.000 0.206 100 Q C 1.890 177.929 176.000 0.065 0.000 0.921 100 Q CA 0.480 56.317 55.803 0.058 0.000 0.911 100 Q CB -0.364 28.382 28.738 0.013 0.000 1.032 100 Q HN 0.424 nan 8.270 nan 0.000 0.510 101 L N -0.389 120.822 121.223 -0.021 0.000 2.465 101 L HA 0.080 4.421 4.340 0.001 0.000 0.224 101 L C 1.582 178.441 176.870 -0.018 0.000 1.145 101 L CA 1.378 56.203 54.840 -0.026 0.000 0.834 101 L CB -0.132 41.895 42.059 -0.053 0.000 0.944 101 L HN 0.298 nan 8.230 nan 0.000 0.451 102 M N -1.641 117.933 119.600 -0.044 0.000 2.691 102 M HA 0.019 4.500 4.480 0.001 0.000 0.261 102 M C 1.622 177.829 176.300 -0.154 0.000 1.227 102 M CA 0.927 56.184 55.300 -0.072 0.000 1.197 102 M CB 0.119 32.697 32.600 -0.037 0.000 1.294 102 M HN 0.052 nan 8.290 nan 0.000 0.508 103 K N -0.818 119.439 120.400 -0.239 0.000 2.418 103 K HA 0.001 4.322 4.320 0.001 0.000 0.195 103 K C 0.311 176.523 176.600 -0.647 0.000 1.035 103 K CA 0.809 56.853 56.287 -0.404 0.000 1.003 103 K CB 0.467 32.699 32.500 -0.447 0.000 0.793 103 K HN 0.417 nan 8.250 nan 0.000 0.494 104 Y N -1.478 118.754 120.300 -0.114 0.000 2.435 104 Y HA 0.201 4.751 4.550 0.001 0.000 0.270 104 Y C 1.470 177.335 175.900 -0.058 0.000 1.093 104 Y CA 0.088 58.145 58.100 -0.072 0.000 1.226 104 Y CB 1.346 39.772 38.460 -0.056 0.000 1.289 104 Y HN 0.129 nan 8.280 nan 0.000 0.529 105 G N 0.966 109.796 108.800 0.050 0.000 2.225 105 G HA2 -0.237 3.724 3.960 0.001 0.000 0.254 105 G HA3 -0.237 3.724 3.960 0.001 0.000 0.254 105 G C 0.127 175.037 174.900 0.017 0.000 0.988 105 G CA 0.426 45.535 45.100 0.016 0.000 0.625 105 G HN 0.775 nan 8.290 nan 0.000 0.527 106 S N -0.682 115.038 115.700 0.034 0.000 2.542 106 S HA 0.714 5.185 4.470 0.001 0.000 0.276 106 S C -0.706 173.870 174.600 -0.039 0.000 1.148 106 S CA -0.354 57.843 58.200 -0.005 0.000 0.886 106 S CB 2.015 65.221 63.200 0.010 0.000 1.109 106 S HN 1.661 nan 8.310 nan 0.000 0.458 107 I N -1.330 119.177 120.570 -0.105 0.000 2.846 107 I HA 0.822 4.993 4.170 0.001 0.000 0.307 107 I C -0.976 175.112 176.117 -0.048 0.000 1.053 107 I CA -1.058 60.130 61.300 -0.188 0.000 1.050 107 I CB 2.018 39.658 38.000 -0.600 0.000 1.239 107 I HN 0.443 nan 8.210 nan 0.000 0.439 108 E N 3.192 123.458 120.200 0.110 0.000 2.206 108 E HA 0.620 4.971 4.350 0.001 0.000 0.244 108 E C -1.059 175.672 176.600 0.218 0.000 1.055 108 E CA -0.124 56.365 56.400 0.148 0.000 0.970 108 E CB 0.937 30.725 29.700 0.148 0.000 1.256 108 E HN 0.502 nan 8.360 nan 0.000 0.456 109 V N 1.043 121.022 119.914 0.109 0.000 2.946 109 V HA 0.294 4.415 4.120 0.001 0.000 0.258 109 V C -0.898 175.189 176.094 -0.011 0.000 1.726 109 V CA -0.506 61.841 62.300 0.079 0.000 0.940 109 V CB 1.978 33.868 31.823 0.112 0.000 1.309 109 V HN 0.497 nan 8.190 nan 0.000 0.458 110 S N 4.548 120.235 115.700 -0.022 0.000 2.632 110 S HA 0.303 4.774 4.470 0.001 0.000 0.267 110 S C 1.119 175.695 174.600 -0.040 0.000 1.276 110 S CA 0.418 58.602 58.200 -0.025 0.000 0.998 110 S CB 1.195 64.388 63.200 -0.012 0.000 0.953 110 S HN 1.008 nan 8.310 nan 0.000 0.547 111 N N 0.869 119.557 118.700 -0.021 0.000 2.069 111 N HA -0.250 4.490 4.740 0.001 0.000 0.191 111 N C 1.971 177.473 175.510 -0.013 0.000 1.031 111 N CA 1.462 54.511 53.050 -0.002 0.000 0.852 111 N CB -0.213 38.280 38.487 0.010 0.000 1.018 111 N HN 0.679 nan 8.380 nan 0.000 0.423 112 R N 1.427 121.916 120.500 -0.018 0.000 2.096 112 R HA -0.074 4.267 4.340 0.001 0.000 0.235 112 R C 1.848 178.128 176.300 -0.034 0.000 1.127 112 R CA 1.644 57.732 56.100 -0.020 0.000 0.968 112 R CB -0.413 29.883 30.300 -0.008 0.000 0.861 112 R HN 0.412 nan 8.270 nan 0.000 0.440 113 E N -0.073 120.097 120.200 -0.050 0.000 2.017 113 E HA -0.171 4.180 4.350 0.001 0.000 0.193 113 E C 1.921 178.434 176.600 -0.145 0.000 0.997 113 E CA 1.718 58.067 56.400 -0.084 0.000 0.804 113 E CB -0.429 29.204 29.700 -0.111 0.000 0.757 113 E HN 0.516 nan 8.360 nan 0.000 0.448 114 I N -0.323 120.134 120.570 -0.188 0.000 2.335 114 I HA -0.217 3.954 4.170 0.001 0.000 0.251 114 I C 2.159 178.250 176.117 -0.044 0.000 1.129 114 I CA 1.467 62.675 61.300 -0.153 0.000 1.402 114 I CB -0.461 37.477 38.000 -0.105 0.000 1.069 114 I HN 0.022 nan 8.210 nan 0.000 0.424 115 I N 0.937 121.461 120.570 -0.077 0.000 2.315 115 I HA -0.205 3.966 4.170 0.001 0.000 0.248 115 I C 2.524 178.437 176.117 -0.340 0.000 1.117 115 I CA 1.537 62.737 61.300 -0.166 0.000 1.404 115 I CB -0.471 37.453 38.000 -0.126 0.000 1.071 115 I HN 0.322 nan 8.210 nan 0.000 0.419 116 E N 0.140 120.241 120.200 -0.164 0.000 2.158 116 E HA -0.193 4.158 4.350 0.001 0.000 0.191 116 E C 1.986 178.615 176.600 0.047 0.000 0.982 116 E CA 0.876 57.233 56.400 -0.072 0.000 0.823 116 E CB -0.087 29.640 29.700 0.045 0.000 0.766 116 E HN 0.389 nan 8.360 nan 0.000 0.468 117 F N 2.240 122.138 119.950 -0.087 0.000 2.234 117 F HA -0.145 4.383 4.527 0.001 0.000 0.299 117 F C 2.081 177.888 175.800 0.011 0.000 1.087 117 F CA 1.450 59.440 58.000 -0.016 0.000 1.340 117 F CB 0.045 38.995 39.000 -0.084 0.000 1.031 117 F HN -0.099 nan 8.300 nan 0.000 0.500 118 Q N -1.051 118.713 119.800 -0.059 0.000 2.119 118 Q HA -0.187 4.154 4.340 0.001 0.000 0.201 118 Q C 2.047 178.032 176.000 -0.024 0.000 0.972 118 Q CA 1.844 57.589 55.803 -0.096 0.000 0.847 118 Q CB -0.410 28.309 28.738 -0.033 0.000 0.903 118 Q HN 0.618 nan 8.270 nan 0.000 0.433 119 H N 0.010 119.059 119.070 -0.034 0.000 2.321 119 H HA -0.063 4.494 4.556 0.001 0.000 0.300 119 H C 2.168 177.465 175.328 -0.051 0.000 1.087 119 H CA 0.892 56.927 56.048 -0.021 0.000 1.319 119 H CB 0.195 29.960 29.762 0.006 0.000 1.379 119 H HN 0.121 nan 8.280 nan 0.000 0.501 120 R N 0.797 121.328 120.500 0.052 0.000 2.115 120 R HA -0.070 4.270 4.340 0.001 0.000 0.230 120 R C 2.192 178.430 176.300 -0.104 0.000 1.111 120 R CA 1.407 57.492 56.100 -0.024 0.000 0.976 120 R CB -0.179 30.112 30.300 -0.014 0.000 0.870 120 R HN 0.505 nan 8.270 nan 0.000 0.445 121 I N -2.556 117.876 120.570 -0.230 0.000 3.735 121 I HA 0.315 4.486 4.170 0.001 0.000 0.310 121 I C 0.595 176.674 176.117 -0.063 0.000 1.270 121 I CA 0.478 61.657 61.300 -0.202 0.000 1.207 121 I CB 0.099 37.876 38.000 -0.371 0.000 1.013 121 I HN 0.190 nan 8.210 nan 0.000 0.452 122 G N 1.817 110.613 108.800 -0.007 0.000 2.182 122 G HA2 -0.223 3.738 3.960 0.001 0.000 0.248 122 G HA3 -0.223 3.738 3.960 0.001 0.000 0.248 122 G C 0.107 175.086 174.900 0.132 0.000 1.042 122 G CA 0.222 45.372 45.100 0.082 0.000 0.775 122 G HN 0.324 nan 8.290 nan 0.000 0.501 123 V N 0.391 120.334 119.914 0.049 0.000 2.740 123 V HA 0.146 4.266 4.120 0.001 0.000 0.303 123 V C 1.523 177.684 176.094 0.111 0.000 1.054 123 V CA 0.698 63.019 62.300 0.036 0.000 1.106 123 V CB 1.069 32.896 31.823 0.006 0.000 0.957 123 V HN 0.420 nan 8.190 nan 0.000 0.486 124 D N 3.638 124.118 120.400 0.133 0.000 2.137 124 D HA 0.107 4.748 4.640 0.001 0.000 0.202 124 D C 0.331 176.681 176.300 0.084 0.000 0.970 124 D CA 1.415 55.495 54.000 0.133 0.000 0.837 124 D CB 0.451 41.345 40.800 0.157 0.000 0.981 124 D HN 0.395 nan 8.370 nan 0.000 0.475 125 I N 0.583 121.193 120.570 0.067 0.000 2.447 125 I HA 0.368 4.538 4.170 0.001 0.000 0.287 125 I C 0.495 176.641 176.117 0.048 0.000 1.023 125 I CA -0.724 60.608 61.300 0.054 0.000 1.083 125 I CB 2.344 40.365 38.000 0.036 0.000 1.245 125 I HN -0.184 nan 8.210 nan 0.000 0.434 126 G N 3.698 112.533 108.800 0.060 0.000 2.753 126 G HA2 0.874 4.835 3.960 0.001 0.000 0.285 126 G HA3 0.874 4.835 3.960 0.001 0.000 0.285 126 G C -0.820 174.081 174.900 0.002 0.000 1.344 126 G CA -0.353 44.772 45.100 0.041 0.000 1.050 126 G HN 0.474 nan 8.290 nan 0.000 0.532 127 T N -0.742 113.794 114.554 -0.029 0.000 2.853 127 T HA 0.520 4.871 4.350 0.001 0.000 0.311 127 T C -1.023 173.628 174.700 -0.081 0.000 1.307 127 T CA -0.414 61.591 62.100 -0.158 0.000 1.019 127 T CB 1.476 70.175 68.868 -0.281 0.000 1.264 127 T HN 0.621 nan 8.240 nan 0.000 0.497 128 F N -0.513 119.383 119.950 -0.090 0.000 2.525 128 F HA 0.774 5.302 4.527 0.001 0.000 0.346 128 F C -0.151 175.587 175.800 -0.103 0.000 1.072 128 F CA -1.762 56.191 58.000 -0.078 0.000 1.033 128 F CB 0.402 39.371 39.000 -0.052 0.000 1.324 128 F HN 0.327 nan 8.300 nan 0.000 0.491 129 L N 2.014 123.349 121.223 0.187 0.000 2.391 129 L HA 0.187 4.528 4.340 0.001 0.000 0.249 129 L C -0.753 176.158 176.870 0.067 0.000 1.308 129 L CA -0.437 54.426 54.840 0.039 0.000 1.209 129 L CB -1.612 40.454 42.059 0.011 0.000 1.401 129 L HN 0.659 nan 8.230 nan 0.000 0.416 130 D N 0.970 121.316 120.400 -0.090 0.000 2.341 130 D HA 0.321 4.961 4.640 0.001 0.000 0.245 130 D C -0.048 176.210 176.300 -0.070 0.000 1.106 130 D CA -0.363 53.603 54.000 -0.057 0.000 0.905 130 D CB 1.191 41.835 40.800 -0.261 0.000 1.202 130 D HN 0.185 nan 8.370 nan 0.000 0.426 131 I N 1.830 122.385 120.570 -0.025 0.000 2.304 131 I HA 0.207 4.377 4.170 0.001 0.000 0.291 131 I C -2.067 174.040 176.117 -0.017 0.000 1.018 131 I CA -2.267 59.021 61.300 -0.019 0.000 1.260 131 I CB 1.453 39.453 38.000 -0.000 0.000 1.390 131 I HN 0.246 nan 8.210 nan 0.000 0.475 132 P HA 0.077 nan 4.420 nan 0.000 0.237 132 P C -0.403 176.918 177.300 0.036 0.000 1.788 132 P CA -0.278 62.834 63.100 0.021 0.000 1.061 132 P CB -0.358 31.390 31.700 0.081 0.000 1.967 133 T N 4.125 118.697 114.554 0.031 0.000 2.866 133 T HA 0.056 4.407 4.350 0.001 0.000 0.293 133 T C -1.994 172.736 174.700 0.051 0.000 1.005 133 T CA -0.516 61.609 62.100 0.042 0.000 1.162 133 T CB -0.536 68.366 68.868 0.057 0.000 0.968 133 T HN 0.182 nan 8.240 nan 0.000 0.530 134 P HA 0.103 nan 4.420 nan 0.000 0.270 134 P C -1.715 175.610 177.300 0.041 0.000 1.223 134 P CA -1.353 61.770 63.100 0.040 0.000 0.785 134 P CB 0.034 31.749 31.700 0.024 0.000 0.923 135 P HA -0.206 nan 4.420 nan 0.000 0.216 135 P C -0.156 177.131 177.300 -0.021 0.000 1.167 135 P CA 1.806 64.909 63.100 0.004 0.000 0.914 135 P CB -0.090 31.610 31.700 -0.000 0.000 0.793 136 D N -1.120 119.273 120.400 -0.012 0.000 2.930 136 D HA 0.354 4.994 4.640 0.001 0.000 0.304 136 D C -0.068 176.252 176.300 0.033 0.000 1.298 136 D CA -0.148 53.837 54.000 -0.025 0.000 0.949 136 D CB 0.363 41.145 40.800 -0.030 0.000 1.013 136 D HN 0.088 nan 8.370 nan 0.000 0.510 137 A N 1.557 124.431 122.820 0.091 0.000 2.286 137 A HA 0.556 4.877 4.320 0.001 0.000 0.286 137 A C -2.294 175.413 177.584 0.206 0.000 1.097 137 A CA -1.182 50.931 52.037 0.126 0.000 0.821 137 A CB 0.304 19.376 19.000 0.120 0.000 1.076 137 A HN 0.014 nan 8.150 nan 0.000 0.490 138 P HA 0.125 nan 4.420 nan 0.000 0.268 138 P C 0.846 178.186 177.300 0.067 0.000 1.205 138 P CA -0.192 62.974 63.100 0.111 0.000 0.771 138 P CB 0.523 32.251 31.700 0.046 0.000 0.858 139 R N 2.946 123.433 120.500 -0.022 0.000 2.117 139 R HA -0.229 4.111 4.340 0.001 0.000 0.243 139 R C 1.434 177.584 176.300 -0.250 0.000 1.143 139 R CA 1.847 57.702 56.100 -0.409 0.000 0.968 139 R CB -0.197 29.837 30.300 -0.443 0.000 0.863 139 R HN 0.518 nan 8.270 nan 0.000 0.444 140 E N 0.011 120.137 120.200 -0.123 0.000 2.085 140 E HA -0.293 4.058 4.350 0.001 0.000 0.194 140 E C 2.061 178.622 176.600 -0.065 0.000 0.994 140 E CA 1.598 57.946 56.400 -0.087 0.000 0.801 140 E CB -0.080 29.590 29.700 -0.050 0.000 0.743 140 E HN 0.510 nan 8.360 nan 0.000 0.453 141 Q N 0.458 120.235 119.800 -0.038 0.000 2.046 141 Q HA -0.142 4.199 4.340 0.001 0.000 0.200 141 Q C 2.201 178.193 176.000 -0.013 0.000 0.975 141 Q CA 1.310 57.105 55.803 -0.013 0.000 0.836 141 Q CB -0.132 28.614 28.738 0.013 0.000 0.896 141 Q HN 0.231 nan 8.270 nan 0.000 0.428 142 A N 0.104 122.913 122.820 -0.019 0.000 1.908 142 A HA -0.159 4.162 4.320 0.001 0.000 0.218 142 A C 2.211 179.771 177.584 -0.039 0.000 1.181 142 A CA 1.676 53.712 52.037 -0.002 0.000 0.627 142 A CB -0.811 18.199 19.000 0.017 0.000 0.818 142 A HN 0.327 nan 8.150 nan 0.000 0.445 143 V N 0.222 120.075 119.914 -0.102 0.000 2.307 143 V HA -0.230 3.891 4.120 0.001 0.000 0.245 143 V C 2.572 178.649 176.094 -0.029 0.000 1.045 143 V CA 2.232 64.484 62.300 -0.080 0.000 1.024 143 V CB -0.567 31.178 31.823 -0.130 0.000 0.651 143 V HN 0.614 nan 8.190 nan 0.000 0.449 144 K N 0.321 120.702 120.400 -0.030 0.000 1.991 144 K HA -0.248 4.073 4.320 0.001 0.000 0.212 144 K C 2.131 178.733 176.600 0.003 0.000 1.049 144 K CA 2.227 58.507 56.287 -0.013 0.000 0.932 144 K CB -0.255 32.236 32.500 -0.015 0.000 0.717 144 K HN 0.556 nan 8.250 nan 0.000 0.441 145 E N 0.613 120.817 120.200 0.006 0.000 2.160 145 E HA -0.211 4.140 4.350 0.001 0.000 0.195 145 E C 1.945 178.561 176.600 0.026 0.000 0.991 145 E CA 0.967 57.376 56.400 0.014 0.000 0.810 145 E CB -0.115 29.594 29.700 0.015 0.000 0.742 145 E HN 0.169 nan 8.360 nan 0.000 0.466 146 L N 1.413 122.658 121.223 0.036 0.000 2.056 146 L HA -0.146 4.194 4.340 0.001 0.000 0.207 146 L C 1.904 178.814 176.870 0.066 0.000 1.078 146 L CA 1.791 56.667 54.840 0.059 0.000 0.749 146 L CB -0.207 41.910 42.059 0.095 0.000 0.901 146 L HN -0.050 nan 8.230 nan 0.000 0.433 147 E N -0.146 120.093 120.200 0.065 0.000 2.150 147 E HA -0.147 4.204 4.350 0.001 0.000 0.193 147 E C 2.342 178.958 176.600 0.027 0.000 0.985 147 E CA 1.446 57.882 56.400 0.060 0.000 0.814 147 E CB -0.189 29.540 29.700 0.050 0.000 0.752 147 E HN 0.594 nan 8.360 nan 0.000 0.466 148 I N 0.827 121.409 120.570 0.020 0.000 2.202 148 I HA -0.225 3.946 4.170 0.001 0.000 0.242 148 I C 2.361 178.486 176.117 0.014 0.000 1.091 148 I CA 1.139 62.445 61.300 0.011 0.000 1.368 148 I CB -0.476 37.530 38.000 0.010 0.000 1.058 148 I HN 0.037 nan 8.210 nan 0.000 0.410 149 T N 1.555 116.130 114.554 0.035 0.000 2.665 149 T HA -0.178 4.172 4.350 0.001 0.000 0.268 149 T C 1.937 176.653 174.700 0.027 0.000 1.035 149 T CA 1.468 63.614 62.100 0.076 0.000 1.151 149 T CB -0.345 68.570 68.868 0.080 0.000 0.862 149 T HN 0.246 nan 8.240 nan 0.000 0.438 150 L N 1.322 122.539 121.223 -0.011 0.000 2.141 150 L HA -0.097 4.244 4.340 0.001 0.000 0.209 150 L C 2.916 179.725 176.870 -0.103 0.000 1.094 150 L CA 1.431 56.230 54.840 -0.068 0.000 0.763 150 L CB -0.722 41.307 42.059 -0.049 0.000 0.908 150 L HN 0.403 nan 8.230 nan 0.000 0.437 151 S N -0.070 115.590 115.700 -0.066 0.000 2.383 151 S HA -0.185 4.286 4.470 0.001 0.000 0.227 151 S C 2.068 176.596 174.600 -0.119 0.000 1.026 151 S CA 0.690 58.848 58.200 -0.069 0.000 0.981 151 S CB -0.313 62.865 63.200 -0.036 0.000 0.818 151 S HN 0.363 nan 8.310 nan 0.000 0.472 152 R N 1.166 121.581 120.500 -0.141 0.000 2.148 152 R HA 0.181 4.521 4.340 0.001 0.000 0.227 152 R C 2.632 178.613 176.300 -0.531 0.000 1.103 152 R CA 1.081 57.063 56.100 -0.198 0.000 0.983 152 R CB -0.587 29.687 30.300 -0.044 0.000 0.874 152 R HN 0.598 nan 8.270 nan 0.000 0.451 153 A N 0.874 123.243 122.820 -0.751 0.000 1.968 153 A HA -0.097 4.224 4.320 0.001 0.000 0.217 153 A C 1.987 179.412 177.584 -0.265 0.000 1.169 153 A CA 0.844 52.278 52.037 -1.005 0.000 0.638 153 A CB -0.193 18.388 19.000 -0.698 0.000 0.812 153 A HN 0.167 nan 8.150 nan 0.000 0.446 154 R N -0.576 119.816 120.500 -0.179 0.000 2.081 154 R HA -0.143 4.197 4.340 0.001 0.000 0.235 154 R C 2.288 178.535 176.300 -0.088 0.000 1.131 154 R CA 1.578 57.625 56.100 -0.088 0.000 0.960 154 R CB -0.236 30.022 30.300 -0.069 0.000 0.856 154 R HN 0.787 nan 8.270 nan 0.000 0.436 155 E N 0.470 120.607 120.200 -0.106 0.000 2.072 155 E HA -0.178 4.172 4.350 0.001 0.000 0.191 155 E C 1.897 178.464 176.600 -0.055 0.000 0.985 155 E CA 1.138 57.495 56.400 -0.071 0.000 0.801 155 E CB -0.029 29.633 29.700 -0.064 0.000 0.750 155 E HN 0.348 nan 8.360 nan 0.000 0.452 156 A N 1.365 124.138 122.820 -0.079 0.000 1.877 156 A HA -0.266 4.055 4.320 0.001 0.000 0.216 156 A C 2.103 179.702 177.584 0.025 0.000 1.186 156 A CA 1.791 53.842 52.037 0.024 0.000 0.620 156 A CB -0.721 18.326 19.000 0.079 0.000 0.822 156 A HN 0.501 nan 8.150 nan 0.000 0.443 157 E N -0.169 119.995 120.200 -0.060 0.000 2.160 157 E HA -0.238 4.113 4.350 0.001 0.000 0.195 157 E C 1.801 178.310 176.600 -0.151 0.000 0.991 157 E CA 1.493 57.734 56.400 -0.265 0.000 0.810 157 E CB -0.112 29.385 29.700 -0.338 0.000 0.742 157 E HN 0.779 nan 8.360 nan 0.000 0.466 158 E N -0.239 119.912 120.200 -0.082 0.000 2.170 158 E HA -0.046 4.305 4.350 0.001 0.000 0.191 158 E C 1.946 178.536 176.600 -0.017 0.000 0.981 158 E CA 0.765 57.134 56.400 -0.052 0.000 0.830 158 E CB 0.185 29.861 29.700 -0.040 0.000 0.775 158 E HN 0.394 nan 8.360 nan 0.000 0.470 159 I N 0.733 121.310 120.570 0.013 0.000 3.783 159 I HA -0.005 4.166 4.170 0.001 0.000 0.310 159 I C 0.991 177.202 176.117 0.158 0.000 1.274 159 I CA -0.116 61.226 61.300 0.069 0.000 1.294 159 I CB 0.152 38.192 38.000 0.066 0.000 1.051 159 I HN -0.118 nan 8.210 nan 0.000 0.435 160 K N 2.912 123.386 120.400 0.123 0.000 2.491 160 K HA -0.077 4.244 4.320 0.001 0.000 0.279 160 K C 0.197 176.852 176.600 0.093 0.000 1.026 160 K CA 0.821 57.223 56.287 0.191 0.000 1.070 160 K CB 0.468 33.017 32.500 0.083 0.000 0.887 160 K HN 0.074 nan 8.250 nan 0.000 0.481 161 E N 4.596 124.805 120.200 0.015 0.000 2.921 161 E HA 0.240 4.591 4.350 0.001 0.000 0.203 161 E C -0.448 176.019 176.600 -0.221 0.000 0.975 161 E CA -0.068 56.171 56.400 -0.268 0.000 1.225 161 E CB 0.284 29.637 29.700 -0.578 0.000 1.048 161 E HN 0.528 nan 8.360 nan 0.000 0.477 162 I N 0.416 120.993 120.570 0.012 0.000 2.984 162 I HA 0.262 4.433 4.170 0.001 0.000 0.303 162 I C -2.731 173.443 176.117 0.095 0.000 1.381 162 I CA -2.483 58.857 61.300 0.067 0.000 0.988 162 I CB 3.162 41.273 38.000 0.185 0.000 1.307 162 I HN -0.272 nan 8.210 nan 0.000 0.460 163 P HA 0.282 nan 4.420 nan 0.000 0.268 163 P C -1.160 176.200 177.300 0.101 0.000 1.205 163 P CA 0.155 63.293 63.100 0.063 0.000 0.771 163 P CB 0.466 32.185 31.700 0.033 0.000 0.858 164 M N 2.005 121.690 119.600 0.141 0.000 2.550 164 M HA 0.298 4.779 4.480 0.001 0.000 0.292 164 M C -0.259 176.106 176.300 0.109 0.000 1.221 164 M CA -0.558 54.850 55.300 0.179 0.000 0.873 164 M CB 2.570 35.388 32.600 0.363 0.000 1.727 164 M HN 0.213 nan 8.290 nan 0.000 0.459 165 N N 0.618 119.295 118.700 -0.038 0.000 2.499 165 N HA 0.533 5.273 4.740 0.001 0.000 0.281 165 N C -0.922 174.367 175.510 -0.368 0.000 1.098 165 N CA -0.275 52.657 53.050 -0.196 0.000 0.979 165 N CB 1.220 39.552 38.487 -0.257 0.000 1.121 165 N HN 0.638 nan 8.380 nan 0.000 0.466 166 A N 1.965 124.552 122.820 -0.390 0.000 2.586 166 A HA 0.279 4.600 4.320 0.001 0.000 0.320 166 A C -0.295 177.156 177.584 -0.222 0.000 1.281 166 A CA -0.701 51.057 52.037 -0.465 0.000 0.775 166 A CB 0.248 18.831 19.000 -0.696 0.000 1.122 166 A HN 0.519 nan 8.150 nan 0.000 0.470 167 T N 3.327 117.630 114.554 -0.419 0.000 2.834 167 T HA 0.303 4.654 4.350 0.001 0.000 0.298 167 T C 0.484 175.070 174.700 -0.191 0.000 0.966 167 T CA 0.470 62.376 62.100 -0.324 0.000 1.141 167 T CB -0.019 68.559 68.868 -0.483 0.000 0.905 167 T HN 0.454 nan 8.240 nan 0.000 0.535 168 I N 3.532 124.012 120.570 -0.149 0.000 2.471 168 I HA 0.194 4.364 4.170 0.001 0.000 0.286 168 I C 0.552 176.616 176.117 -0.087 0.000 1.079 168 I CA 0.030 61.261 61.300 -0.116 0.000 1.398 168 I CB 0.641 38.571 38.000 -0.116 0.000 1.403 168 I HN 0.494 nan 8.210 nan 0.000 0.530 169 Q N 4.851 124.621 119.800 -0.050 0.000 3.412 169 Q HA 0.391 4.732 4.340 0.001 0.000 0.219 169 Q C -0.114 175.903 176.000 0.029 0.000 0.913 169 Q CA -0.135 55.656 55.803 -0.020 0.000 0.722 169 Q CB 1.434 30.150 28.738 -0.036 0.000 1.385 169 Q HN 0.769 nan 8.270 nan 0.000 0.461 170 G N 0.664 109.497 108.800 0.055 0.000 4.250 170 G HA2 0.381 4.342 3.960 0.001 0.000 0.295 170 G HA3 0.381 4.342 3.960 0.001 0.000 0.295 170 G C 0.219 175.225 174.900 0.177 0.000 1.081 170 G CA 0.425 45.592 45.100 0.113 0.000 0.854 170 G HN 0.670 nan 8.290 nan 0.000 0.524 171 S N -0.174 115.602 115.700 0.126 0.000 3.469 171 S HA -0.326 4.145 4.470 0.001 0.000 0.628 171 S C 1.808 176.442 174.600 0.057 0.000 2.687 171 S CA 2.547 60.818 58.200 0.118 0.000 3.829 171 S CB -1.275 62.050 63.200 0.209 0.000 0.258 171 S HN 1.274 nan 8.310 nan 0.000 1.222 172 T N -0.585 113.927 114.554 -0.071 0.000 3.278 172 T HA 0.386 4.737 4.350 0.001 0.000 0.251 172 T C 0.015 174.503 174.700 -0.353 0.000 1.039 172 T CA 0.209 62.182 62.100 -0.212 0.000 0.935 172 T CB -0.688 68.019 68.868 -0.267 0.000 1.034 172 T HN 0.462 nan 8.240 nan 0.000 0.575 173 Y N 2.385 122.694 120.300 0.015 0.000 2.434 173 Y HA 0.337 4.887 4.550 0.001 0.000 0.341 173 Y C 2.008 177.918 175.900 0.017 0.000 0.965 173 Y CA -1.060 57.049 58.100 0.015 0.000 1.205 173 Y CB 0.782 39.249 38.460 0.012 0.000 1.121 173 Y HN 0.245 nan 8.280 nan 0.000 0.507 174 T N -2.346 112.268 114.554 0.100 0.000 2.737 174 T HA -0.284 4.066 4.350 0.001 0.000 0.269 174 T C 1.486 176.239 174.700 0.088 0.000 1.040 174 T CA 1.852 63.994 62.100 0.069 0.000 1.142 174 T CB -0.126 68.771 68.868 0.048 0.000 0.861 174 T HN 0.741 nan 8.240 nan 0.000 0.456 175 D N 1.776 122.244 120.400 0.113 0.000 2.178 175 D HA -0.096 4.545 4.640 0.001 0.000 0.202 175 D C 2.191 178.560 176.300 0.116 0.000 0.974 175 D CA 0.751 54.807 54.000 0.094 0.000 0.841 175 D CB -0.521 40.320 40.800 0.069 0.000 0.953 175 D HN 0.441 nan 8.370 nan 0.000 0.478 176 L N -0.160 121.146 121.223 0.139 0.000 2.109 176 L HA -0.052 4.289 4.340 0.001 0.000 0.207 176 L C 2.950 179.919 176.870 0.164 0.000 1.086 176 L CA 0.626 55.564 54.840 0.163 0.000 0.760 176 L CB -0.324 41.819 42.059 0.141 0.000 0.910 176 L HN -0.085 nan 8.230 nan 0.000 0.437 177 R N 0.179 120.745 120.500 0.110 0.000 2.073 177 R HA -0.172 4.169 4.340 0.001 0.000 0.234 177 R C 2.254 178.572 176.300 0.030 0.000 1.134 177 R CA 1.309 57.437 56.100 0.048 0.000 0.952 177 R CB -0.708 29.604 30.300 0.019 0.000 0.850 177 R HN 0.358 nan 8.270 nan 0.000 0.433 178 R N -0.096 120.437 120.500 0.055 0.000 2.083 178 R HA -0.217 4.124 4.340 0.001 0.000 0.237 178 R C 2.279 178.626 176.300 0.077 0.000 1.137 178 R CA 1.758 57.888 56.100 0.049 0.000 0.951 178 R CB -0.482 29.858 30.300 0.066 0.000 0.851 178 R HN 0.217 nan 8.270 nan 0.000 0.434 179 Y N 0.715 121.008 120.300 -0.011 0.000 2.145 179 Y HA -0.155 4.396 4.550 0.001 0.000 0.286 179 Y C 2.106 177.991 175.900 -0.025 0.000 1.145 179 Y CA 1.491 59.583 58.100 -0.013 0.000 1.148 179 Y CB -0.700 37.754 38.460 -0.010 0.000 0.981 179 Y HN 0.192 nan 8.280 nan 0.000 0.507 180 A N 0.785 123.533 122.820 -0.120 0.000 1.883 180 A HA -0.159 4.162 4.320 0.001 0.000 0.217 180 A C 2.474 179.920 177.584 -0.230 0.000 1.186 180 A CA 2.365 54.269 52.037 -0.223 0.000 0.624 180 A CB -1.616 17.335 19.000 -0.082 0.000 0.822 180 A HN 0.652 nan 8.150 nan 0.000 0.444 181 A N -0.462 122.255 122.820 -0.172 0.000 1.902 181 A HA -0.160 4.161 4.320 0.001 0.000 0.217 181 A C 2.262 179.729 177.584 -0.194 0.000 1.181 181 A CA 1.456 53.365 52.037 -0.214 0.000 0.623 181 A CB -0.483 18.426 19.000 -0.151 0.000 0.818 181 A HN 0.533 nan 8.150 nan 0.000 0.443 182 R N -0.913 119.507 120.500 -0.133 0.000 2.081 182 R HA -0.097 4.244 4.340 0.001 0.000 0.235 182 R C 2.384 178.612 176.300 -0.121 0.000 1.131 182 R CA 1.279 57.324 56.100 -0.092 0.000 0.960 182 R CB -0.338 29.941 30.300 -0.035 0.000 0.856 182 R HN 0.376 nan 8.270 nan 0.000 0.436 183 R N 0.602 120.972 120.500 -0.217 0.000 2.061 183 R HA -0.053 4.288 4.340 0.001 0.000 0.230 183 R C 2.261 178.507 176.300 -0.090 0.000 1.140 183 R CA 0.988 56.968 56.100 -0.200 0.000 0.940 183 R CB -0.939 29.137 30.300 -0.373 0.000 0.839 183 R HN 0.147 nan 8.270 nan 0.000 0.429 184 L N 1.040 122.198 121.223 -0.108 0.000 2.131 184 L HA -0.055 4.286 4.340 0.001 0.000 0.210 184 L C 2.445 179.391 176.870 0.126 0.000 1.092 184 L CA 1.531 56.391 54.840 0.033 0.000 0.759 184 L CB -1.462 40.543 42.059 -0.090 0.000 0.903 184 L HN 0.199 nan 8.230 nan 0.000 0.435 185 S N -0.662 114.995 115.700 -0.071 0.000 2.419 185 S HA -0.132 4.339 4.470 0.001 0.000 0.233 185 S C 2.153 176.807 174.600 0.090 0.000 1.016 185 S CA 1.458 59.674 58.200 0.025 0.000 0.974 185 S CB -0.059 63.099 63.200 -0.071 0.000 0.786 185 S HN 0.642 nan 8.310 nan 0.000 0.492 186 S N 0.061 115.791 115.700 0.050 0.000 2.496 186 S HA 0.274 4.744 4.470 0.001 0.000 0.224 186 S C 0.773 175.402 174.600 0.048 0.000 0.996 186 S CA -0.144 58.080 58.200 0.039 0.000 0.927 186 S CB -0.342 62.865 63.200 0.012 0.000 0.774 186 S HN 0.464 nan 8.310 nan 0.000 0.524 187 M N 3.154 122.815 119.600 0.103 0.000 2.283 187 M HA 0.268 4.749 4.480 0.001 0.000 0.314 187 M C 0.200 176.498 176.300 -0.004 0.000 1.153 187 M CA -0.599 54.733 55.300 0.054 0.000 1.084 187 M CB 0.453 33.160 32.600 0.178 0.000 1.468 187 M HN 0.232 nan 8.290 nan 0.000 0.474 188 N N 2.121 120.676 118.700 -0.241 0.000 2.663 188 N HA 0.229 4.970 4.740 0.001 0.000 0.250 188 N C -1.815 173.424 175.510 -0.453 0.000 1.129 188 N CA 0.198 53.100 53.050 -0.248 0.000 0.995 188 N CB -0.171 38.196 38.487 -0.199 0.000 1.324 188 N HN 0.394 nan 8.380 nan 0.000 0.512 189 F N 0.119 120.064 119.950 -0.008 0.000 2.598 189 F HA 0.352 4.879 4.527 0.001 0.000 0.327 189 F C 1.478 177.187 175.800 -0.151 0.000 1.057 189 F CA -0.873 57.094 58.000 -0.055 0.000 0.957 189 F CB 1.713 40.693 39.000 -0.033 0.000 1.278 189 F HN 0.198 nan 8.300 nan 0.000 0.484 190 E N 0.584 120.802 120.200 0.031 0.000 2.340 190 E HA 0.251 4.602 4.350 0.001 0.000 0.198 190 E C 0.080 176.537 176.600 -0.238 0.000 0.961 190 E CA 0.770 57.114 56.400 -0.095 0.000 0.905 190 E CB 1.183 30.853 29.700 -0.051 0.000 0.884 190 E HN 0.440 nan 8.360 nan 0.000 0.491 191 I N 1.397 121.788 120.570 -0.298 0.000 2.769 191 I HA 0.261 4.432 4.170 0.001 0.000 0.298 191 I C -0.848 174.989 176.117 -0.468 0.000 1.128 191 I CA -0.885 60.204 61.300 -0.351 0.000 1.031 191 I CB 2.245 40.125 38.000 -0.199 0.000 1.235 191 I HN -0.072 nan 8.210 nan 0.000 0.423 192 H N 4.339 123.336 119.070 -0.121 0.000 2.786 192 H HA 0.379 4.936 4.556 0.001 0.000 0.284 192 H C -2.598 172.643 175.328 -0.145 0.000 1.104 192 H CA -2.089 53.876 56.048 -0.138 0.000 1.339 192 H CB 1.247 30.942 29.762 -0.112 0.000 1.427 192 H HN 0.133 nan 8.280 nan 0.000 0.497 193 P HA 0.222 nan 4.420 nan 0.000 0.276 193 P C 0.128 177.341 177.300 -0.145 0.000 1.244 193 P CA -0.371 62.627 63.100 -0.169 0.000 0.801 193 P CB 1.444 32.905 31.700 -0.398 0.000 1.006 194 I N 1.189 121.694 120.570 -0.109 0.000 2.355 194 I HA 0.433 4.604 4.170 0.001 0.000 0.288 194 I C 0.898 176.982 176.117 -0.054 0.000 0.999 194 I CA -0.119 61.136 61.300 -0.074 0.000 1.163 194 I CB 1.274 39.250 38.000 -0.040 0.000 1.316 194 I HN 0.360 nan 8.210 nan 0.000 0.454 195 G N 2.808 111.559 108.800 -0.083 0.000 2.552 195 G HA2 0.526 4.487 3.960 0.001 0.000 0.318 195 G HA3 0.526 4.487 3.960 0.001 0.000 0.318 195 G C 0.701 175.611 174.900 0.017 0.000 1.240 195 G CA -0.218 44.853 45.100 -0.049 0.000 1.002 195 G HN 0.938 nan 8.290 nan 0.000 0.493 196 G N -2.303 106.533 108.800 0.060 0.000 2.153 196 G HA2 -0.127 3.834 3.960 0.001 0.000 0.252 196 G HA3 -0.127 3.834 3.960 0.001 0.000 0.252 196 G C 0.912 175.859 174.900 0.078 0.000 0.994 196 G CA 1.180 46.324 45.100 0.072 0.000 0.698 196 G HN 1.924 nan 8.290 nan 0.000 0.521 197 V N -3.042 116.929 119.914 0.096 0.000 3.578 197 V HA 0.373 4.494 4.120 0.001 0.000 0.290 197 V C 2.196 178.352 176.094 0.103 0.000 1.376 197 V CA 1.103 63.457 62.300 0.090 0.000 1.083 197 V CB 0.248 32.127 31.823 0.093 0.000 0.911 197 V HN 0.218 nan 8.190 nan 0.000 0.433 198 V N 1.277 121.265 119.914 0.124 0.000 2.255 198 V HA -0.116 4.005 4.120 0.001 0.000 0.247 198 V C 0.434 176.595 176.094 0.112 0.000 1.051 198 V CA 3.048 65.424 62.300 0.125 0.000 1.018 198 V CB -1.733 30.191 31.823 0.168 0.000 0.641 198 V HN 0.509 nan 8.190 nan 0.000 0.445 199 P HA -0.114 nan 4.420 nan 0.000 0.218 199 P C 1.838 179.158 177.300 0.034 0.000 1.148 199 P CA 1.337 64.477 63.100 0.066 0.000 0.822 199 P CB -0.046 31.686 31.700 0.053 0.000 0.784 200 L N -1.722 119.518 121.223 0.029 0.000 2.044 200 L HA -0.126 4.215 4.340 0.001 0.000 0.205 200 L C 2.442 179.276 176.870 -0.061 0.000 1.075 200 L CA 1.227 56.058 54.840 -0.014 0.000 0.747 200 L CB -1.047 41.014 42.059 0.003 0.000 0.903 200 L HN -0.050 nan 8.230 nan 0.000 0.435 201 L N -0.243 120.988 121.223 0.014 0.000 2.012 201 L HA -0.216 4.124 4.340 0.001 0.000 0.210 201 L C 2.611 179.524 176.870 0.072 0.000 1.073 201 L CA 1.433 56.296 54.840 0.038 0.000 0.748 201 L CB -0.584 41.582 42.059 0.179 0.000 0.891 201 L HN 0.311 nan 8.230 nan 0.000 0.431 202 E N -0.442 119.821 120.200 0.105 0.000 2.153 202 E HA -0.156 4.195 4.350 0.001 0.000 0.194 202 E C 1.968 178.592 176.600 0.040 0.000 0.988 202 E CA 1.329 57.802 56.400 0.122 0.000 0.811 202 E CB -0.093 29.665 29.700 0.097 0.000 0.746 202 E HN 0.333 nan 8.360 nan 0.000 0.466 203 S N -0.316 115.376 115.700 -0.013 0.000 2.631 203 S HA 0.042 4.513 4.470 0.001 0.000 0.217 203 S C -0.153 174.397 174.600 -0.084 0.000 0.958 203 S CA -0.203 57.957 58.200 -0.066 0.000 0.920 203 S CB -0.243 62.925 63.200 -0.053 0.000 0.776 203 S HN 0.339 nan 8.310 nan 0.000 0.517 204 Y N 0.557 120.554 120.300 -0.504 0.000 3.825 204 Y HA -0.275 4.276 4.550 0.001 0.000 0.221 204 Y C 0.589 175.955 175.900 -0.890 0.000 1.195 204 Y CA -0.171 57.313 58.100 -1.027 0.000 1.699 204 Y CB -1.341 36.718 38.460 -0.670 0.000 1.531 204 Y HN 0.252 nan 8.280 nan 0.000 0.640 205 R N 0.426 120.651 120.500 -0.459 0.000 4.390 205 R HA 0.162 4.502 4.340 0.001 0.000 0.229 205 R C 0.695 176.891 176.300 -0.174 0.000 1.674 205 R CA -0.256 55.714 56.100 -0.216 0.000 1.526 205 R CB -0.394 29.849 30.300 -0.095 0.000 1.418 205 R HN 0.364 nan 8.270 nan 0.000 0.790 206 F N -0.110 119.861 119.950 0.034 0.000 2.216 206 F HA -0.156 4.372 4.527 0.001 0.000 0.300 206 F C 2.634 178.471 175.800 0.061 0.000 1.085 206 F CA 0.728 58.745 58.000 0.027 0.000 1.326 206 F CB -0.011 38.984 39.000 -0.008 0.000 1.027 206 F HN 0.238 nan 8.300 nan 0.000 0.497 207 R N 0.765 121.397 120.500 0.221 0.000 2.081 207 R HA -0.159 4.182 4.340 0.001 0.000 0.235 207 R C 1.633 178.008 176.300 0.124 0.000 1.131 207 R CA 1.806 58.005 56.100 0.166 0.000 0.960 207 R CB -0.473 29.900 30.300 0.122 0.000 0.856 207 R HN 0.226 nan 8.270 nan 0.000 0.436 208 D N -0.121 120.329 120.400 0.083 0.000 2.144 208 D HA -0.114 4.527 4.640 0.001 0.000 0.199 208 D C 1.923 178.260 176.300 0.061 0.000 0.984 208 D CA 0.858 54.888 54.000 0.050 0.000 0.834 208 D CB -0.046 40.762 40.800 0.014 0.000 0.955 208 D HN 0.058 nan 8.370 nan 0.000 0.465 209 V N 0.711 120.682 119.914 0.094 0.000 2.407 209 V HA -0.189 3.931 4.120 0.001 0.000 0.248 209 V C 2.664 178.813 176.094 0.093 0.000 1.055 209 V CA 0.886 63.249 62.300 0.105 0.000 1.049 209 V CB -0.353 31.575 31.823 0.174 0.000 0.662 209 V HN 0.051 nan 8.190 nan 0.000 0.455 210 V N 0.232 120.220 119.914 0.123 0.000 2.295 210 V HA -0.270 3.851 4.120 0.001 0.000 0.246 210 V C 2.300 178.405 176.094 0.018 0.000 1.049 210 V CA 2.297 64.660 62.300 0.105 0.000 1.024 210 V CB -0.644 31.287 31.823 0.179 0.000 0.648 210 V HN 0.580 nan 8.190 nan 0.000 0.447 211 D N -0.278 120.151 120.400 0.048 0.000 2.144 211 D HA -0.101 4.540 4.640 0.001 0.000 0.199 211 D C 2.079 178.341 176.300 -0.063 0.000 0.984 211 D CA 1.262 55.261 54.000 -0.001 0.000 0.834 211 D CB -0.078 40.767 40.800 0.074 0.000 0.955 211 D HN 0.405 nan 8.370 nan 0.000 0.465 212 I N 0.450 121.003 120.570 -0.027 0.000 2.202 212 I HA -0.208 3.962 4.170 0.001 0.000 0.242 212 I C 2.440 178.515 176.117 -0.069 0.000 1.091 212 I CA 0.539 61.819 61.300 -0.034 0.000 1.368 212 I CB -0.059 37.938 38.000 -0.004 0.000 1.058 212 I HN -0.128 nan 8.210 nan 0.000 0.410 213 V N 1.211 121.085 119.914 -0.067 0.000 2.295 213 V HA -0.281 3.839 4.120 0.001 0.000 0.246 213 V C 2.293 178.261 176.094 -0.212 0.000 1.049 213 V CA 1.858 64.101 62.300 -0.095 0.000 1.024 213 V CB -0.361 31.439 31.823 -0.039 0.000 0.648 213 V HN 0.323 nan 8.190 nan 0.000 0.447 214 I N -0.208 120.173 120.570 -0.316 0.000 2.252 214 I HA -0.196 3.975 4.170 0.001 0.000 0.245 214 I C 2.564 178.389 176.117 -0.487 0.000 1.102 214 I CA 1.438 62.376 61.300 -0.605 0.000 1.385 214 I CB -0.427 37.111 38.000 -0.770 0.000 1.064 214 I HN 0.271 nan 8.210 nan 0.000 0.414 215 S N 0.424 115.949 115.700 -0.292 0.000 2.368 215 S HA -0.161 4.310 4.470 0.001 0.000 0.225 215 S C 2.223 176.744 174.600 -0.132 0.000 1.030 215 S CA 1.651 59.752 58.200 -0.165 0.000 0.999 215 S CB -0.150 63.002 63.200 -0.080 0.000 0.844 215 S HN 0.389 nan 8.310 nan 0.000 0.459 216 S N 1.447 117.066 115.700 -0.135 0.000 2.348 216 S HA -0.051 4.420 4.470 0.001 0.000 0.221 216 S C 1.917 176.450 174.600 -0.111 0.000 1.033 216 S CA 0.937 59.072 58.200 -0.109 0.000 1.010 216 S CB -0.228 62.912 63.200 -0.100 0.000 0.891 216 S HN 0.426 nan 8.310 nan 0.000 0.442 217 K N 0.831 121.136 120.400 -0.158 0.000 2.103 217 K HA -0.023 4.298 4.320 0.001 0.000 0.207 217 K C 2.086 178.707 176.600 0.035 0.000 1.048 217 K CA 1.101 57.336 56.287 -0.088 0.000 0.930 217 K CB -0.370 32.033 32.500 -0.163 0.000 0.716 217 K HN 0.397 nan 8.250 nan 0.000 0.444 218 M N -0.073 119.488 119.600 -0.064 0.000 2.213 218 M HA -0.142 4.339 4.480 0.001 0.000 0.263 218 M C 1.737 178.107 176.300 0.116 0.000 1.062 218 M CA 1.472 56.843 55.300 0.118 0.000 1.105 218 M CB -0.023 32.598 32.600 0.035 0.000 1.385 218 M HN 0.078 nan 8.290 nan 0.000 0.417 219 A N -0.388 122.456 122.820 0.040 0.000 2.500 219 A HA 0.447 4.768 4.320 0.001 0.000 0.267 219 A C 0.353 177.934 177.584 -0.004 0.000 1.290 219 A CA -0.313 51.740 52.037 0.027 0.000 0.928 219 A CB 0.095 19.098 19.000 0.004 0.000 1.066 219 A HN 0.276 nan 8.150 nan 0.000 0.516 220 L N 0.299 121.527 121.223 0.009 0.000 2.334 220 L HA 0.434 4.775 4.340 0.001 0.000 0.272 220 L C 0.226 177.122 176.870 0.043 0.000 1.020 220 L CA -0.975 53.853 54.840 -0.021 0.000 0.812 220 L CB 1.372 43.408 42.059 -0.037 0.000 1.264 220 L HN 0.235 nan 8.230 nan 0.000 0.439 221 R N 2.395 122.921 120.500 0.044 0.000 2.458 221 R HA 0.045 4.385 4.340 0.001 0.000 0.303 221 R C -1.685 174.627 176.300 0.019 0.000 1.013 221 R CA -1.329 54.795 56.100 0.039 0.000 1.026 221 R CB 0.340 30.659 30.300 0.032 0.000 0.948 221 R HN 0.344 nan 8.270 nan 0.000 0.417 222 P HA -0.151 nan 4.420 nan 0.000 0.225 222 P C 0.345 177.585 177.300 -0.100 0.000 1.148 222 P CA 1.045 64.160 63.100 0.025 0.000 0.779 222 P CB 0.149 31.935 31.700 0.143 0.000 0.780 223 D N -1.492 118.665 120.400 -0.406 0.000 2.349 223 D HA -0.042 4.598 4.640 0.001 0.000 0.224 223 D C 0.482 176.633 176.300 -0.249 0.000 1.029 223 D CA 0.263 53.739 54.000 -0.873 0.000 0.879 223 D CB -0.054 40.084 40.800 -1.103 0.000 0.906 223 D HN 0.166 nan 8.370 nan 0.000 0.528 224 R N 0.812 121.227 120.500 -0.142 0.000 2.532 224 R HA 0.469 4.810 4.340 0.001 0.000 0.295 224 R C -2.597 173.511 176.300 -0.321 0.000 0.968 224 R CA -1.894 54.090 56.100 -0.195 0.000 0.916 224 R CB 1.379 31.614 30.300 -0.109 0.000 1.124 224 R HN -0.038 nan 8.270 nan 0.000 0.463 225 P HA 0.019 nan 4.420 nan 0.000 0.269 225 P C -0.897 176.216 177.300 -0.311 0.000 1.209 225 P CA -0.184 62.475 63.100 -0.734 0.000 0.776 225 P CB 0.661 31.808 31.700 -0.922 0.000 0.876 226 V N 3.398 123.185 119.914 -0.213 0.000 2.409 226 V HA 0.258 4.379 4.120 0.001 0.000 0.291 226 V C -0.274 175.744 176.094 -0.127 0.000 1.020 226 V CA -0.385 61.848 62.300 -0.113 0.000 0.848 226 V CB 1.048 32.825 31.823 -0.077 0.000 0.990 226 V HN 0.581 nan 8.190 nan 0.000 0.430 227 H N 5.491 124.441 119.070 -0.200 0.000 2.551 227 H HA 0.454 5.011 4.556 0.001 0.000 0.321 227 H C -0.927 174.301 175.328 -0.167 0.000 1.028 227 H CA -1.247 54.669 56.048 -0.220 0.000 1.215 227 H CB 1.665 31.354 29.762 -0.122 0.000 1.414 227 H HN 0.498 nan 8.280 nan 0.000 0.480 228 L N 7.431 128.687 121.223 0.055 0.000 2.356 228 L HA 0.198 4.539 4.340 0.001 0.000 0.282 228 L C -0.786 176.178 176.870 0.156 0.000 1.132 228 L CA -0.313 54.544 54.840 0.028 0.000 0.923 228 L CB -1.041 40.983 42.059 -0.059 0.000 1.278 228 L HN 0.483 nan 8.230 nan 0.000 0.436 229 F N 5.105 124.951 119.950 -0.173 0.000 2.590 229 F HA 0.377 4.904 4.527 0.001 0.000 0.389 229 F C 1.535 177.301 175.800 -0.056 0.000 1.049 229 F CA 1.158 59.006 58.000 -0.255 0.000 1.199 229 F CB 0.374 39.151 39.000 -0.371 0.000 1.058 229 F HN 0.762 nan 8.300 nan 0.000 0.556 230 G N 3.624 112.118 108.800 -0.509 0.000 2.159 230 G HA2 -0.187 3.773 3.960 0.001 0.000 0.256 230 G HA3 -0.187 3.773 3.960 0.001 0.000 0.256 230 G C 0.271 175.154 174.900 -0.028 0.000 0.977 230 G CA 0.011 44.909 45.100 -0.336 0.000 0.652 230 G HN 1.341 nan 8.290 nan 0.000 0.531 231 A N 0.757 123.651 122.820 0.122 0.000 2.990 231 A HA 0.664 4.985 4.320 0.001 0.000 0.282 231 A C 1.437 179.233 177.584 0.353 0.000 1.688 231 A CA 1.153 53.365 52.037 0.292 0.000 1.391 231 A CB -0.192 19.081 19.000 0.455 0.000 1.112 231 A HN 1.484 nan 8.150 nan 0.000 0.588 232 G N -0.008 108.911 108.800 0.199 0.000 3.337 232 G HA2 0.161 4.122 3.960 0.001 0.000 0.246 232 G HA3 0.161 4.122 3.960 0.001 0.000 0.246 232 G C 0.375 175.309 174.900 0.057 0.000 1.131 232 G CA -0.062 45.130 45.100 0.154 0.000 0.773 232 G HN 0.712 nan 8.290 nan 0.000 0.544 233 H N 0.809 119.839 119.070 -0.068 0.000 2.481 233 H HA 0.317 4.874 4.556 0.001 0.000 0.333 233 H C -1.943 172.941 175.328 -0.739 0.000 1.066 233 H CA -2.055 53.820 56.048 -0.288 0.000 1.209 233 H CB 2.722 32.407 29.762 -0.128 0.000 1.445 233 H HN -0.115 nan 8.280 nan 0.000 0.488 234 P HA -0.155 nan 4.420 nan 0.000 0.219 234 P C 1.771 178.606 177.300 -0.775 0.000 1.144 234 P CA 0.848 63.002 63.100 -1.576 0.000 0.806 234 P CB 0.207 31.425 31.700 -0.802 0.000 0.771 235 I N -0.217 120.264 120.570 -0.148 0.000 2.335 235 I HA -0.180 3.990 4.170 0.001 0.000 0.251 235 I C 1.486 177.381 176.117 -0.371 0.000 1.129 235 I CA 1.489 62.637 61.300 -0.254 0.000 1.402 235 I CB 0.146 37.904 38.000 -0.404 0.000 1.069 235 I HN -0.104 nan 8.210 nan 0.000 0.424 236 V N -3.566 116.144 119.914 -0.339 0.000 3.621 236 V HA 0.071 4.192 4.120 0.001 0.000 0.285 236 V C 1.966 178.097 176.094 0.062 0.000 1.346 236 V CA 0.126 62.305 62.300 -0.202 0.000 1.104 236 V CB -0.962 30.812 31.823 -0.081 0.000 0.913 236 V HN 0.285 nan 8.190 nan 0.000 0.432 237 F N 1.993 121.816 119.950 -0.212 0.000 2.043 237 F HA -0.199 4.329 4.527 0.001 0.000 0.297 237 F C 2.918 178.635 175.800 -0.138 0.000 1.121 237 F CA 1.640 59.448 58.000 -0.319 0.000 1.199 237 F CB -0.637 38.106 39.000 -0.428 0.000 0.968 237 F HN 0.370 nan 8.300 nan 0.000 0.478 238 A N 0.360 123.225 122.820 0.075 0.000 1.865 238 A HA -0.249 4.072 4.320 0.001 0.000 0.217 238 A C 2.012 179.593 177.584 -0.005 0.000 1.191 238 A CA 1.842 53.879 52.037 -0.001 0.000 0.623 238 A CB -1.160 17.814 19.000 -0.044 0.000 0.826 238 A HN 0.386 nan 8.150 nan 0.000 0.444 239 L N -0.337 120.892 121.223 0.008 0.000 2.012 239 L HA -0.111 4.230 4.340 0.001 0.000 0.210 239 L C 2.729 179.661 176.870 0.105 0.000 1.073 239 L CA 2.401 57.270 54.840 0.049 0.000 0.748 239 L CB -0.707 41.368 42.059 0.028 0.000 0.891 239 L HN 0.359 nan 8.230 nan 0.000 0.431 240 A N -1.267 121.655 122.820 0.171 0.000 1.902 240 A HA -0.150 4.171 4.320 0.001 0.000 0.217 240 A C 2.239 179.941 177.584 0.198 0.000 1.181 240 A CA 1.981 54.162 52.037 0.240 0.000 0.623 240 A CB -1.113 18.173 19.000 0.477 0.000 0.818 240 A HN 0.318 nan 8.150 nan 0.000 0.443 241 V N -0.285 119.754 119.914 0.209 0.000 2.626 241 V HA -0.169 3.952 4.120 0.001 0.000 0.252 241 V C 2.849 178.936 176.094 -0.011 0.000 1.067 241 V CA 1.584 63.952 62.300 0.113 0.000 1.081 241 V CB -0.915 30.959 31.823 0.084 0.000 0.686 241 V HN 0.600 nan 8.190 nan 0.000 0.468 242 A N -0.917 121.859 122.820 -0.072 0.000 2.168 242 A HA -0.020 4.300 4.320 0.001 0.000 0.215 242 A C 2.039 179.606 177.584 -0.028 0.000 1.152 242 A CA 1.134 53.032 52.037 -0.231 0.000 0.716 242 A CB -0.373 18.345 19.000 -0.470 0.000 0.794 242 A HN 0.522 nan 8.150 nan 0.000 0.465 243 M N -1.484 118.175 119.600 0.098 0.000 2.428 243 M HA 0.206 4.686 4.480 0.001 0.000 0.239 243 M C 1.137 177.563 176.300 0.210 0.000 1.121 243 M CA 0.746 56.186 55.300 0.234 0.000 1.019 243 M CB 0.492 33.197 32.600 0.176 0.000 1.485 243 M HN 0.576 nan 8.290 nan 0.000 0.484 244 G N 1.250 110.104 108.800 0.089 0.000 2.140 244 G HA2 -0.164 3.796 3.960 0.001 0.000 0.211 244 G HA3 -0.164 3.796 3.960 0.001 0.000 0.211 244 G C -0.214 174.688 174.900 0.003 0.000 1.013 244 G CA -0.504 44.618 45.100 0.036 0.000 0.705 244 G HN 0.278 nan 8.290 nan 0.000 0.508 245 V N 1.033 120.937 119.914 -0.017 0.000 2.498 245 V HA 0.366 4.487 4.120 0.001 0.000 0.279 245 V C 0.801 176.796 176.094 -0.165 0.000 1.048 245 V CA 0.212 62.427 62.300 -0.141 0.000 0.967 245 V CB 1.556 33.243 31.823 -0.227 0.000 0.988 245 V HN 0.332 nan 8.190 nan 0.000 0.473 246 D N 3.772 124.043 120.400 -0.214 0.000 2.423 246 D HA 0.232 4.873 4.640 0.001 0.000 0.212 246 D C 0.104 176.265 176.300 -0.232 0.000 1.060 246 D CA 0.511 54.435 54.000 -0.126 0.000 0.872 246 D CB 1.199 41.974 40.800 -0.041 0.000 1.012 246 D HN 0.315 nan 8.370 nan 0.000 0.503 247 L N 0.058 120.985 121.223 -0.494 0.000 2.388 247 L HA 0.488 4.829 4.340 0.001 0.000 0.264 247 L C -1.155 175.168 176.870 -0.912 0.000 0.998 247 L CA -0.876 53.631 54.840 -0.555 0.000 0.817 247 L CB 2.097 43.819 42.059 -0.562 0.000 1.338 247 L HN -0.274 nan 8.230 nan 0.000 0.414 248 F N -0.362 119.341 119.950 -0.411 0.000 2.629 248 F HA 0.535 5.062 4.527 0.001 0.000 0.316 248 F C -0.888 174.755 175.800 -0.261 0.000 1.081 248 F CA -0.967 56.885 58.000 -0.247 0.000 0.954 248 F CB 2.053 40.896 39.000 -0.262 0.000 1.337 248 F HN 0.500 nan 8.300 nan 0.000 0.474 249 D N -0.964 119.493 120.400 0.095 0.000 2.934 249 D HA 0.536 5.176 4.640 0.001 0.000 0.230 249 D C -1.405 174.875 176.300 -0.034 0.000 1.204 249 D CA -0.675 53.309 54.000 -0.027 0.000 0.873 249 D CB 2.105 42.869 40.800 -0.061 0.000 1.645 249 D HN 0.462 nan 8.370 nan 0.000 0.502 250 S N 0.740 116.412 115.700 -0.046 0.000 2.594 250 S HA 0.638 5.109 4.470 0.001 0.000 0.296 250 S C -0.167 174.467 174.600 0.058 0.000 1.124 250 S CA -0.196 58.007 58.200 0.003 0.000 1.011 250 S CB 1.165 64.392 63.200 0.044 0.000 1.016 250 S HN 0.740 nan 8.310 nan 0.000 0.485 251 A N 3.531 126.320 122.820 -0.053 0.000 2.192 251 A HA 0.286 4.606 4.320 0.001 0.000 0.208 251 A C 1.910 179.354 177.584 -0.233 0.000 1.220 251 A CA 0.560 52.515 52.037 -0.136 0.000 0.900 251 A CB -0.514 18.406 19.000 -0.134 0.000 0.937 251 A HN 0.704 nan 8.150 nan 0.000 0.487 252 S N 0.053 115.649 115.700 -0.174 0.000 2.370 252 S HA -0.234 4.237 4.470 0.001 0.000 0.226 252 S C 1.858 176.224 174.600 -0.391 0.000 1.033 252 S CA 1.846 59.860 58.200 -0.310 0.000 1.011 252 S CB -0.768 62.113 63.200 -0.532 0.000 0.852 252 S HN 0.885 nan 8.310 nan 0.000 0.457 253 Y N 1.589 121.704 120.300 -0.309 0.000 2.181 253 Y HA -0.164 4.386 4.550 0.001 0.000 0.284 253 Y C 2.211 178.045 175.900 -0.110 0.000 1.179 253 Y CA 0.911 58.864 58.100 -0.245 0.000 1.179 253 Y CB -0.884 37.426 38.460 -0.248 0.000 0.973 253 Y HN 0.183 nan 8.280 nan 0.000 0.519 254 A N 1.012 123.153 122.820 -1.131 0.000 1.911 254 A HA 0.110 4.431 4.320 0.001 0.000 0.212 254 A C 2.246 179.669 177.584 -0.268 0.000 1.189 254 A CA 0.935 52.538 52.037 -0.724 0.000 0.639 254 A CB -0.906 17.520 19.000 -0.957 0.000 0.839 254 A HN 0.508 nan 8.150 nan 0.000 0.449 255 L N -1.604 119.501 121.223 -0.198 0.000 2.083 255 L HA -0.215 4.125 4.340 0.001 0.000 0.209 255 L C 2.562 179.536 176.870 0.173 0.000 1.083 255 L CA 1.487 56.334 54.840 0.013 0.000 0.752 255 L CB -0.716 41.386 42.059 0.071 0.000 0.899 255 L HN 0.519 nan 8.230 nan 0.000 0.433 256 Y N -0.280 119.991 120.300 -0.048 0.000 2.200 256 Y HA -0.258 4.293 4.550 0.001 0.000 0.290 256 Y C 2.742 178.657 175.900 0.025 0.000 1.137 256 Y CA 0.387 58.497 58.100 0.016 0.000 1.163 256 Y CB -0.230 38.259 38.460 0.047 0.000 0.988 256 Y HN 0.185 nan 8.280 nan 0.000 0.518 257 A N 0.588 123.514 122.820 0.177 0.000 1.908 257 A HA -0.247 4.074 4.320 0.001 0.000 0.218 257 A C 2.036 179.665 177.584 0.075 0.000 1.181 257 A CA 1.885 53.993 52.037 0.118 0.000 0.627 257 A CB -0.517 18.527 19.000 0.073 0.000 0.818 257 A HN 0.396 nan 8.150 nan 0.000 0.445 258 K N -0.526 119.900 120.400 0.045 0.000 2.283 258 K HA -0.086 4.235 4.320 0.001 0.000 0.202 258 K C 0.045 176.662 176.600 0.029 0.000 1.048 258 K CA 1.179 57.482 56.287 0.026 0.000 0.948 258 K CB -0.041 32.464 32.500 0.009 0.000 0.742 258 K HN 0.417 nan 8.250 nan 0.000 0.458 259 D N 0.939 121.361 120.400 0.036 0.000 2.463 259 D HA 0.014 4.655 4.640 0.001 0.000 0.224 259 D C -0.642 175.674 176.300 0.026 0.000 1.174 259 D CA 0.150 54.158 54.000 0.013 0.000 0.829 259 D CB 0.421 41.209 40.800 -0.021 0.000 0.993 259 D HN 0.033 nan 8.370 nan 0.000 0.497 260 D N 1.276 121.711 120.400 0.058 0.000 2.772 260 D HA -0.186 4.455 4.640 0.001 0.000 0.233 260 D C 0.011 176.379 176.300 0.114 0.000 1.143 260 D CA 0.746 54.795 54.000 0.081 0.000 0.700 260 D CB -0.649 40.181 40.800 0.050 0.000 1.076 260 D HN 0.377 nan 8.370 nan 0.000 0.430 261 R N 0.093 120.680 120.500 0.146 0.000 2.460 261 R HA 0.465 4.805 4.340 0.001 0.000 0.303 261 R C -0.314 176.204 176.300 0.363 0.000 0.968 261 R CA -0.660 55.557 56.100 0.195 0.000 0.889 261 R CB 1.557 31.873 30.300 0.027 0.000 1.123 261 R HN 0.101 nan 8.270 nan 0.000 0.455 262 Y N 3.177 123.616 120.300 0.232 0.000 2.328 262 Y HA 0.329 4.880 4.550 0.001 0.000 0.337 262 Y C -0.282 175.816 175.900 0.330 0.000 0.966 262 Y CA -0.646 57.611 58.100 0.262 0.000 1.136 262 Y CB 1.189 39.749 38.460 0.166 0.000 1.170 262 Y HN 0.467 nan 8.280 nan 0.000 0.470 263 M N 4.478 124.162 119.600 0.140 0.000 2.255 263 M HA 0.361 4.841 4.480 0.001 0.000 0.336 263 M C -0.323 175.993 176.300 0.027 0.000 1.135 263 M CA 0.254 55.574 55.300 0.033 0.000 1.145 263 M CB 1.231 33.639 32.600 -0.320 0.000 1.473 263 M HN 0.658 nan 8.290 nan 0.000 0.462 264 T N 1.293 115.919 114.554 0.120 0.000 2.883 264 T HA 0.341 4.692 4.350 0.001 0.000 0.301 264 T C -2.184 172.579 174.700 0.106 0.000 1.158 264 T CA -1.117 61.074 62.100 0.152 0.000 1.007 264 T CB 2.077 71.112 68.868 0.277 0.000 1.186 264 T HN 0.315 nan 8.240 nan 0.000 0.499 265 P HA 0.040 nan 4.420 nan 0.000 0.225 265 P C 0.596 177.916 177.300 0.033 0.000 1.148 265 P CA 0.847 63.942 63.100 -0.009 0.000 0.779 265 P CB 0.308 31.999 31.700 -0.015 0.000 0.780 266 E N -1.434 118.824 120.200 0.096 0.000 2.452 266 E HA 0.328 4.679 4.350 0.001 0.000 0.197 266 E C 1.183 177.870 176.600 0.144 0.000 1.022 266 E CA 0.335 56.793 56.400 0.096 0.000 0.890 266 E CB 0.183 29.948 29.700 0.109 0.000 0.918 266 E HN 0.169 nan 8.360 nan 0.000 0.496 267 G N -1.125 107.813 108.800 0.231 0.000 2.455 267 G HA2 0.189 4.150 3.960 0.001 0.000 0.223 267 G HA3 0.189 4.150 3.960 0.001 0.000 0.223 267 G C -1.050 174.121 174.900 0.451 0.000 1.226 267 G CA -0.473 44.791 45.100 0.273 0.000 0.948 267 G HN -0.076 nan 8.290 nan 0.000 0.478 268 T N 1.370 116.170 114.554 0.410 0.000 2.886 268 T HA 0.693 5.044 4.350 0.001 0.000 0.292 268 T C -0.944 173.939 174.700 0.306 0.000 1.012 268 T CA -0.749 61.613 62.100 0.437 0.000 0.982 268 T CB 2.016 71.165 68.868 0.468 0.000 1.018 268 T HN 0.500 nan 8.240 nan 0.000 0.451 269 K N 1.955 122.554 120.400 0.331 0.000 2.328 269 K HA 0.552 4.873 4.320 0.001 0.000 0.246 269 K C -0.286 176.427 176.600 0.190 0.000 0.955 269 K CA -0.907 55.519 56.287 0.232 0.000 0.817 269 K CB 2.300 34.936 32.500 0.227 0.000 1.208 269 K HN 0.471 nan 8.250 nan 0.000 0.432 270 R N 1.167 121.726 120.500 0.099 0.000 2.349 270 R HA 0.187 4.528 4.340 0.001 0.000 0.299 270 R C 1.299 177.622 176.300 0.038 0.000 1.027 270 R CA -0.622 55.516 56.100 0.064 0.000 0.958 270 R CB 0.720 31.034 30.300 0.024 0.000 1.047 270 R HN 0.356 nan 8.270 nan 0.000 0.468 271 L N 3.110 124.362 121.223 0.049 0.000 2.127 271 L HA -0.194 4.146 4.340 0.001 0.000 0.211 271 L C 1.550 178.392 176.870 -0.047 0.000 1.089 271 L CA 1.963 56.811 54.840 0.012 0.000 0.757 271 L CB -0.405 41.689 42.059 0.058 0.000 0.899 271 L HN 0.736 nan 8.230 nan 0.000 0.434 272 D N -1.311 119.070 120.400 -0.031 0.000 2.363 272 D HA -0.201 4.440 4.640 0.001 0.000 0.220 272 D C 1.433 177.696 176.300 -0.061 0.000 0.994 272 D CA 0.653 54.624 54.000 -0.048 0.000 0.890 272 D CB -0.233 40.549 40.800 -0.030 0.000 0.906 272 D HN 0.587 nan 8.370 nan 0.000 0.530 273 E N 0.676 120.843 120.200 -0.054 0.000 2.548 273 E HA 0.096 4.446 4.350 0.001 0.000 0.206 273 E C -0.263 176.291 176.600 -0.077 0.000 1.005 273 E CA -0.277 56.093 56.400 -0.050 0.000 0.951 273 E CB 0.294 29.985 29.700 -0.015 0.000 1.035 273 E HN 0.255 nan 8.360 nan 0.000 0.470 274 L N 1.476 122.616 121.223 -0.138 0.000 2.296 274 L HA 0.314 4.654 4.340 0.001 0.000 0.286 274 L C 0.691 177.368 176.870 -0.321 0.000 1.023 274 L CA -0.456 54.255 54.840 -0.216 0.000 0.812 274 L CB 1.539 43.410 42.059 -0.313 0.000 1.223 274 L HN -0.066 nan 8.230 nan 0.000 0.421 275 D N 1.918 122.116 120.400 -0.338 0.000 2.380 275 D HA 0.080 4.721 4.640 0.001 0.000 0.212 275 D C -0.639 175.098 176.300 -0.938 0.000 1.021 275 D CA 0.907 54.535 54.000 -0.619 0.000 0.884 275 D CB 0.826 41.240 40.800 -0.644 0.000 1.001 275 D HN 0.281 nan 8.370 nan 0.000 0.506 276 Y N -0.773 119.377 120.300 -0.251 0.000 2.553 276 Y HA 0.363 4.914 4.550 0.001 0.000 0.347 276 Y C -0.667 175.105 175.900 -0.214 0.000 1.019 276 Y CA -1.185 56.782 58.100 -0.221 0.000 1.032 276 Y CB 1.125 39.538 38.460 -0.079 0.000 1.284 276 Y HN -0.316 nan 8.280 nan 0.000 0.466 277 F N 4.056 124.045 119.950 0.064 0.000 2.390 277 F HA 0.350 4.877 4.527 0.001 0.000 0.361 277 F C -1.876 174.000 175.800 0.127 0.000 1.124 277 F CA -3.416 54.587 58.000 0.005 0.000 1.149 277 F CB 1.002 40.026 39.000 0.040 0.000 1.160 277 F HN 0.202 nan 8.300 nan 0.000 0.501 278 P HA 0.163 nan 4.420 nan 0.000 0.218 278 P C -0.451 177.024 177.300 0.292 0.000 1.793 278 P CA 0.240 63.507 63.100 0.278 0.000 0.941 278 P CB 0.334 32.185 31.700 0.252 0.000 1.919 279 C N -0.382 119.085 119.300 0.279 0.000 3.285 279 C HA 0.479 4.940 4.460 0.001 0.000 0.325 279 C C 0.725 175.798 174.990 0.137 0.000 1.304 279 C CA -0.173 58.975 59.018 0.217 0.000 1.319 279 C CB 1.571 29.492 27.740 0.302 0.000 1.640 279 C HN 0.241 nan 8.230 nan 0.000 0.477 280 S N 0.968 116.706 115.700 0.063 0.000 2.730 280 S HA 0.179 4.650 4.470 0.001 0.000 0.244 280 S C 0.563 175.105 174.600 -0.097 0.000 1.022 280 S CA 0.175 58.376 58.200 0.001 0.000 1.014 280 S CB -0.505 62.690 63.200 -0.009 0.000 0.963 280 S HN 1.114 nan 8.310 nan 0.000 0.540 281 C N 1.579 120.802 119.300 -0.127 0.000 2.758 281 C HA 0.292 4.753 4.460 0.001 0.000 0.371 281 C C -1.027 173.733 174.990 -0.383 0.000 1.342 281 C CA -1.047 57.744 59.018 -0.379 0.000 2.257 281 C CB -0.191 27.337 27.740 -0.352 0.000 2.621 281 C HN 0.189 nan 8.230 nan 0.000 0.730 282 P HA -0.120 nan 4.420 nan 0.000 0.218 282 P C 1.545 178.785 177.300 -0.100 0.000 1.146 282 P CA 1.550 64.451 63.100 -0.333 0.000 0.820 282 P CB -0.092 31.400 31.700 -0.346 0.000 0.778 283 V N -1.336 118.551 119.914 -0.045 0.000 2.326 283 V HA -0.152 3.968 4.120 0.001 0.000 0.238 283 V C 2.349 178.502 176.094 0.100 0.000 1.038 283 V CA 1.761 64.136 62.300 0.125 0.000 1.032 283 V CB -1.364 30.528 31.823 0.115 0.000 0.675 283 V HN 0.121 nan 8.190 nan 0.000 0.467 284 C N 0.029 119.296 119.300 -0.055 0.000 2.430 284 C HA -0.064 4.397 4.460 0.001 0.000 0.288 284 C C 3.089 178.147 174.990 0.114 0.000 1.448 284 C CA 1.260 60.247 59.018 -0.051 0.000 1.784 284 C CB -1.221 26.461 27.740 -0.096 0.000 1.776 284 C HN 0.613 nan 8.230 nan 0.000 0.547 285 S N 0.745 116.460 115.700 0.026 0.000 2.446 285 S HA -0.049 4.421 4.470 0.001 0.000 0.225 285 S C 1.977 176.565 174.600 -0.020 0.000 1.016 285 S CA 1.020 59.220 58.200 -0.001 0.000 0.943 285 S CB -0.088 63.069 63.200 -0.071 0.000 0.786 285 S HN 0.863 nan 8.310 nan 0.000 0.508 286 K N -1.235 119.130 120.400 -0.059 0.000 2.367 286 K HA 0.198 4.518 4.320 0.001 0.000 0.195 286 K C -0.375 176.055 176.600 -0.283 0.000 1.060 286 K CA -0.097 56.049 56.287 -0.235 0.000 1.022 286 K CB 0.123 32.364 32.500 -0.431 0.000 0.894 286 K HN 0.329 nan 8.250 nan 0.000 0.540 287 Y N 0.408 120.781 120.300 0.122 0.000 2.633 287 Y HA 0.404 4.954 4.550 0.001 0.000 0.339 287 Y C 0.179 176.254 175.900 0.291 0.000 1.045 287 Y CA -1.184 57.019 58.100 0.172 0.000 1.098 287 Y CB 2.091 40.661 38.460 0.183 0.000 1.296 287 Y HN -0.208 nan 8.280 nan 0.000 0.494 288 T N 0.615 115.384 114.554 0.358 0.000 2.952 288 T HA 0.333 4.683 4.350 0.001 0.000 0.286 288 T C -2.092 172.512 174.700 -0.160 0.000 1.024 288 T CA -2.552 59.586 62.100 0.063 0.000 1.029 288 T CB 1.251 70.095 68.868 -0.040 0.000 1.094 288 T HN 0.311 nan 8.240 nan 0.000 0.515 289 P HA -0.168 nan 4.420 nan 0.000 0.214 289 P C 1.787 178.938 177.300 -0.249 0.000 1.163 289 P CA 1.275 63.935 63.100 -0.733 0.000 0.889 289 P CB 0.052 31.236 31.700 -0.860 0.000 0.790 290 Q N 0.341 120.009 119.800 -0.220 0.000 2.181 290 Q HA -0.225 4.116 4.340 0.001 0.000 0.205 290 Q C 1.719 177.689 176.000 -0.050 0.000 0.980 290 Q CA 1.797 57.528 55.803 -0.120 0.000 0.862 290 Q CB -1.358 27.310 28.738 -0.116 0.000 0.905 290 Q HN 0.396 nan 8.270 nan 0.000 0.429 291 E N 0.340 120.536 120.200 -0.008 0.000 2.204 291 E HA -0.029 4.322 4.350 0.001 0.000 0.194 291 E C 2.083 178.690 176.600 0.012 0.000 0.989 291 E CA 0.320 56.749 56.400 0.049 0.000 0.824 291 E CB 0.063 29.861 29.700 0.164 0.000 0.756 291 E HN 0.199 nan 8.360 nan 0.000 0.477 292 L N 0.790 122.026 121.223 0.022 0.000 2.072 292 L HA -0.122 4.218 4.340 0.001 0.000 0.205 292 L C 2.227 179.091 176.870 -0.009 0.000 1.079 292 L CA 1.562 56.405 54.840 0.004 0.000 0.752 292 L CB -0.459 41.694 42.059 0.157 0.000 0.906 292 L HN 0.125 nan 8.230 nan 0.000 0.436 293 R N -0.283 120.210 120.500 -0.011 0.000 2.081 293 R HA -0.201 4.140 4.340 0.001 0.000 0.235 293 R C 1.950 178.240 176.300 -0.017 0.000 1.131 293 R CA 1.144 57.234 56.100 -0.017 0.000 0.960 293 R CB -0.205 30.075 30.300 -0.033 0.000 0.856 293 R HN 0.220 nan 8.270 nan 0.000 0.436 294 E N 0.538 120.728 120.200 -0.017 0.000 2.209 294 E HA -0.091 4.260 4.350 0.001 0.000 0.196 294 E C 0.360 176.954 176.600 -0.010 0.000 0.993 294 E CA 0.980 57.373 56.400 -0.011 0.000 0.819 294 E CB 0.005 29.704 29.700 -0.002 0.000 0.745 294 E HN 0.235 nan 8.360 nan 0.000 0.477 295 M N 0.627 120.215 119.600 -0.020 0.000 2.226 295 M HA 0.197 4.678 4.480 0.001 0.000 0.324 295 M C -2.065 174.227 176.300 -0.013 0.000 1.112 295 M CA -1.756 53.530 55.300 -0.024 0.000 1.176 295 M CB 0.168 32.733 32.600 -0.059 0.000 1.430 295 M HN -0.275 nan 8.290 nan 0.000 0.462 296 P HA 0.045 nan 4.420 nan 0.000 0.271 296 P C 0.219 177.519 177.300 -0.001 0.000 1.216 296 P CA -0.246 62.853 63.100 -0.001 0.000 0.776 296 P CB 0.536 32.238 31.700 0.003 0.000 0.881 297 K N 2.804 123.206 120.400 0.003 0.000 2.097 297 K HA -0.276 4.044 4.320 0.001 0.000 0.214 297 K C 1.643 178.249 176.600 0.009 0.000 1.052 297 K CA 2.072 58.363 56.287 0.006 0.000 0.932 297 K CB -0.346 32.158 32.500 0.007 0.000 0.716 297 K HN 0.589 nan 8.250 nan 0.000 0.455 298 E N 0.273 120.479 120.200 0.009 0.000 2.051 298 E HA -0.208 4.143 4.350 0.001 0.000 0.192 298 E C 2.018 178.626 176.600 0.013 0.000 0.991 298 E CA 1.416 57.823 56.400 0.012 0.000 0.799 298 E CB -0.043 29.664 29.700 0.013 0.000 0.748 298 E HN 0.398 nan 8.360 nan 0.000 0.449 299 E N 0.481 120.685 120.200 0.007 0.000 2.072 299 E HA -0.229 4.122 4.350 0.001 0.000 0.191 299 E C 2.318 178.912 176.600 -0.011 0.000 0.985 299 E CA 0.733 57.133 56.400 0.000 0.000 0.801 299 E CB -0.059 29.634 29.700 -0.011 0.000 0.750 299 E HN 0.098 nan 8.360 nan 0.000 0.452 300 R N -0.127 120.365 120.500 -0.013 0.000 2.083 300 R HA -0.140 4.201 4.340 0.001 0.000 0.237 300 R C 2.205 178.520 176.300 0.026 0.000 1.137 300 R CA 2.078 58.174 56.100 -0.007 0.000 0.951 300 R CB -0.406 29.896 30.300 0.004 0.000 0.851 300 R HN 0.187 nan 8.270 nan 0.000 0.434 301 T N 0.842 115.414 114.554 0.030 0.000 2.708 301 T HA -0.116 4.235 4.350 0.001 0.000 0.266 301 T C 1.861 176.593 174.700 0.054 0.000 1.037 301 T CA 0.948 63.073 62.100 0.042 0.000 1.146 301 T CB -0.185 68.699 68.868 0.027 0.000 0.865 301 T HN 0.221 nan 8.240 nan 0.000 0.435 302 R N 0.636 121.164 120.500 0.047 0.000 2.080 302 R HA -0.010 4.331 4.340 0.001 0.000 0.236 302 R C 2.487 178.841 176.300 0.090 0.000 1.137 302 R CA 1.254 57.393 56.100 0.065 0.000 0.943 302 R CB -0.918 29.415 30.300 0.056 0.000 0.846 302 R HN 0.419 nan 8.270 nan 0.000 0.431 303 L N 0.519 121.783 121.223 0.068 0.000 2.083 303 L HA -0.173 4.167 4.340 0.001 0.000 0.209 303 L C 2.545 179.491 176.870 0.127 0.000 1.083 303 L CA 0.986 55.876 54.840 0.083 0.000 0.752 303 L CB -0.405 41.647 42.059 -0.012 0.000 0.899 303 L HN 0.189 nan 8.230 nan 0.000 0.433 304 L N -0.503 120.793 121.223 0.122 0.000 2.093 304 L HA -0.184 4.156 4.340 0.001 0.000 0.208 304 L C 2.876 179.860 176.870 0.191 0.000 1.085 304 L CA 1.036 55.983 54.840 0.178 0.000 0.755 304 L CB -0.649 41.515 42.059 0.175 0.000 0.904 304 L HN 0.251 nan 8.230 nan 0.000 0.435 305 A N 0.237 123.150 122.820 0.156 0.000 1.877 305 A HA -0.175 4.146 4.320 0.001 0.000 0.216 305 A C 2.226 179.928 177.584 0.196 0.000 1.186 305 A CA 1.387 53.540 52.037 0.193 0.000 0.620 305 A CB -0.670 18.434 19.000 0.173 0.000 0.822 305 A HN 0.346 nan 8.150 nan 0.000 0.443 306 L N -1.345 119.985 121.223 0.178 0.000 2.046 306 L HA -0.224 4.117 4.340 0.001 0.000 0.208 306 L C 2.683 179.720 176.870 0.278 0.000 1.077 306 L CA 1.892 56.848 54.840 0.193 0.000 0.747 306 L CB -0.801 41.425 42.059 0.279 0.000 0.896 306 L HN 0.729 nan 8.230 nan 0.000 0.432 307 H N 0.506 119.686 119.070 0.184 0.000 2.290 307 H HA -0.174 4.382 4.556 0.001 0.000 0.298 307 H C 2.113 177.451 175.328 0.016 0.000 1.087 307 H CA 2.119 58.226 56.048 0.099 0.000 1.291 307 H CB -0.076 29.626 29.762 -0.099 0.000 1.369 307 H HN 0.199 nan 8.280 nan 0.000 0.492 308 N N 0.404 118.932 118.700 -0.286 0.000 2.104 308 N HA -0.142 4.598 4.740 0.001 0.000 0.190 308 N C 2.149 177.507 175.510 -0.255 0.000 1.024 308 N CA 1.446 54.298 53.050 -0.330 0.000 0.853 308 N CB -0.355 38.090 38.487 -0.071 0.000 1.008 308 N HN 0.419 nan 8.380 nan 0.000 0.424 309 L N -1.249 119.867 121.223 -0.179 0.000 2.093 309 L HA -0.104 4.237 4.340 0.001 0.000 0.208 309 L C 2.140 178.911 176.870 -0.164 0.000 1.085 309 L CA 0.905 55.603 54.840 -0.237 0.000 0.755 309 L CB -0.342 41.506 42.059 -0.352 0.000 0.904 309 L HN 0.215 nan 8.230 nan 0.000 0.435 310 W N -0.926 120.296 121.300 -0.130 0.000 2.381 310 W HA -0.149 4.512 4.660 0.001 0.000 0.301 310 W C 2.450 178.865 176.519 -0.173 0.000 1.205 310 W CA 0.632 57.902 57.345 -0.125 0.000 1.285 310 W CB -0.437 28.954 29.460 -0.114 0.000 1.133 310 W HN -0.181 nan 8.180 nan 0.000 0.521 311 V N 0.460 120.316 119.914 -0.098 0.000 2.427 311 V HA -0.296 3.825 4.120 0.001 0.000 0.248 311 V C 1.913 177.950 176.094 -0.095 0.000 1.051 311 V CA 1.562 63.770 62.300 -0.155 0.000 1.048 311 V CB -0.716 30.892 31.823 -0.360 0.000 0.666 311 V HN 0.160 nan 8.190 nan 0.000 0.456 312 I N -0.320 120.192 120.570 -0.098 0.000 2.179 312 I HA -0.292 3.879 4.170 0.001 0.000 0.242 312 I C 2.597 178.773 176.117 0.099 0.000 1.088 312 I CA 1.844 63.170 61.300 0.043 0.000 1.357 312 I CB -0.346 37.680 38.000 0.043 0.000 1.051 312 I HN 0.240 nan 8.210 nan 0.000 0.409 313 K N 0.643 121.055 120.400 0.019 0.000 2.097 313 K HA -0.263 4.058 4.320 0.001 0.000 0.206 313 K C 2.098 178.687 176.600 -0.019 0.000 1.049 313 K CA 1.696 57.938 56.287 -0.075 0.000 0.933 313 K CB -0.046 32.306 32.500 -0.247 0.000 0.717 313 K HN 0.283 nan 8.250 nan 0.000 0.442 314 E N 0.281 120.504 120.200 0.039 0.000 2.047 314 E HA -0.205 4.146 4.350 0.001 0.000 0.191 314 E C 1.806 178.423 176.600 0.030 0.000 0.987 314 E CA 0.978 57.406 56.400 0.047 0.000 0.799 314 E CB 0.133 29.872 29.700 0.065 0.000 0.752 314 E HN 0.191 nan 8.360 nan 0.000 0.449 315 E N 0.641 120.866 120.200 0.041 0.000 2.118 315 E HA -0.177 4.173 4.350 0.001 0.000 0.195 315 E C 2.101 178.750 176.600 0.082 0.000 0.992 315 E CA 0.666 57.105 56.400 0.065 0.000 0.804 315 E CB -0.114 29.630 29.700 0.073 0.000 0.741 315 E HN 0.383 nan 8.360 nan 0.000 0.458 316 I N 1.146 121.754 120.570 0.063 0.000 2.226 316 I HA -0.245 3.925 4.170 0.001 0.000 0.245 316 I C 2.098 178.185 176.117 -0.050 0.000 1.100 316 I CA 1.124 62.390 61.300 -0.057 0.000 1.374 316 I CB -0.744 37.170 38.000 -0.144 0.000 1.057 316 I HN 0.077 nan 8.210 nan 0.000 0.413 317 K N 0.325 120.704 120.400 -0.035 0.000 2.148 317 K HA -0.153 4.168 4.320 0.001 0.000 0.204 317 K C 2.159 178.747 176.600 -0.021 0.000 1.050 317 K CA 0.746 57.013 56.287 -0.033 0.000 0.942 317 K CB -0.206 32.280 32.500 -0.023 0.000 0.724 317 K HN 0.278 nan 8.250 nan 0.000 0.446 318 R N 1.077 121.573 120.500 -0.008 0.000 2.075 318 R HA -0.083 4.258 4.340 0.001 0.000 0.232 318 R C 2.198 178.489 176.300 -0.016 0.000 1.126 318 R CA 0.878 56.975 56.100 -0.005 0.000 0.963 318 R CB -0.057 30.247 30.300 0.006 0.000 0.858 318 R HN -0.082 nan 8.270 nan 0.000 0.435 319 V N 1.497 121.399 119.914 -0.020 0.000 2.295 319 V HA -0.239 3.881 4.120 0.001 0.000 0.246 319 V C 2.164 178.228 176.094 -0.049 0.000 1.049 319 V CA 1.889 64.167 62.300 -0.037 0.000 1.024 319 V CB -0.362 31.439 31.823 -0.037 0.000 0.648 319 V HN 0.368 nan 8.190 nan 0.000 0.447 320 K N -0.267 120.105 120.400 -0.047 0.000 2.097 320 K HA -0.237 4.084 4.320 0.001 0.000 0.205 320 K C 2.248 178.821 176.600 -0.044 0.000 1.050 320 K CA 1.522 57.780 56.287 -0.048 0.000 0.938 320 K CB -0.205 32.265 32.500 -0.049 0.000 0.718 320 K HN 0.335 nan 8.250 nan 0.000 0.442 321 Q N 1.219 120.998 119.800 -0.035 0.000 2.124 321 Q HA -0.082 4.259 4.340 0.001 0.000 0.202 321 Q C 1.788 177.770 176.000 -0.031 0.000 0.977 321 Q CA 1.786 57.572 55.803 -0.029 0.000 0.850 321 Q CB -0.220 28.507 28.738 -0.018 0.000 0.901 321 Q HN 0.289 nan 8.270 nan 0.000 0.429 322 A N 0.050 122.848 122.820 -0.036 0.000 1.930 322 A HA -0.080 4.240 4.320 0.001 0.000 0.217 322 A C 2.144 179.690 177.584 -0.064 0.000 1.175 322 A CA 1.238 53.249 52.037 -0.044 0.000 0.627 322 A CB -0.624 18.345 19.000 -0.050 0.000 0.815 322 A HN 0.461 nan 8.150 nan 0.000 0.443 323 I N -0.860 119.666 120.570 -0.073 0.000 2.179 323 I HA -0.255 3.915 4.170 0.001 0.000 0.242 323 I C 2.518 178.600 176.117 -0.058 0.000 1.088 323 I CA 1.664 62.916 61.300 -0.080 0.000 1.357 323 I CB -0.160 37.794 38.000 -0.078 0.000 1.051 323 I HN 0.166 nan 8.210 nan 0.000 0.409 324 K N 1.322 121.692 120.400 -0.050 0.000 2.103 324 K HA -0.209 4.112 4.320 0.001 0.000 0.207 324 K C 1.675 178.249 176.600 -0.044 0.000 1.048 324 K CA 1.592 57.853 56.287 -0.044 0.000 0.930 324 K CB -0.214 32.262 32.500 -0.040 0.000 0.716 324 K HN 0.554 nan 8.250 nan 0.000 0.444 325 E N -1.539 118.637 120.200 -0.040 0.000 2.479 325 E HA 0.130 4.480 4.350 0.001 0.000 0.193 325 E C 0.550 177.125 176.600 -0.042 0.000 1.049 325 E CA 0.440 56.818 56.400 -0.038 0.000 0.870 325 E CB 0.108 29.794 29.700 -0.024 0.000 0.944 325 E HN 0.220 nan 8.360 nan 0.000 0.492 326 G N 1.801 110.574 108.800 -0.044 0.000 2.225 326 G HA2 -0.244 3.716 3.960 0.001 0.000 0.264 326 G HA3 -0.244 3.716 3.960 0.001 0.000 0.264 326 G C 0.106 174.982 174.900 -0.039 0.000 1.060 326 G CA 0.240 45.318 45.100 -0.037 0.000 0.833 326 G HN 0.280 nan 8.290 nan 0.000 0.498 327 E N -0.566 119.601 120.200 -0.056 0.000 2.995 327 E HA 0.236 4.586 4.350 0.001 0.000 0.203 327 E C 1.962 178.509 176.600 -0.089 0.000 0.980 327 E CA -0.549 55.822 56.400 -0.049 0.000 1.172 327 E CB 0.140 29.836 29.700 -0.006 0.000 1.088 327 E HN 0.498 nan 8.360 nan 0.000 0.463 328 L N -0.777 120.340 121.223 -0.176 0.000 2.046 328 L HA -0.094 4.246 4.340 0.001 0.000 0.208 328 L C 1.670 178.366 176.870 -0.290 0.000 1.077 328 L CA 1.487 56.169 54.840 -0.264 0.000 0.747 328 L CB -0.060 41.756 42.059 -0.405 0.000 0.896 328 L HN 0.364 nan 8.230 nan 0.000 0.432 329 W N -0.241 120.866 121.300 -0.321 0.000 2.350 329 W HA -0.198 4.463 4.660 0.001 0.000 0.289 329 W C 2.809 179.144 176.519 -0.306 0.000 1.215 329 W CA 0.561 57.589 57.345 -0.528 0.000 1.236 329 W CB -0.145 28.496 29.460 -1.365 0.000 1.130 329 W HN 0.100 nan 8.180 nan 0.000 0.541 330 R N 0.423 120.931 120.500 0.013 0.000 2.075 330 R HA -0.168 4.173 4.340 0.001 0.000 0.232 330 R C 2.134 178.530 176.300 0.160 0.000 1.126 330 R CA 1.489 57.734 56.100 0.241 0.000 0.963 330 R CB -0.798 29.643 30.300 0.235 0.000 0.858 330 R HN 0.230 nan 8.270 nan 0.000 0.435 331 L N 0.852 122.107 121.223 0.055 0.000 2.046 331 L HA -0.119 4.222 4.340 0.001 0.000 0.208 331 L C 2.088 178.949 176.870 -0.015 0.000 1.077 331 L CA 1.480 56.330 54.840 0.016 0.000 0.747 331 L CB -0.444 41.602 42.059 -0.022 0.000 0.896 331 L HN -0.073 nan 8.230 nan 0.000 0.432 332 V N 0.005 119.897 119.914 -0.037 0.000 2.343 332 V HA -0.299 3.821 4.120 0.001 0.000 0.247 332 V C 2.468 178.404 176.094 -0.263 0.000 1.051 332 V CA 2.088 64.325 62.300 -0.106 0.000 1.036 332 V CB -0.841 30.972 31.823 -0.016 0.000 0.654 332 V HN 0.581 nan 8.190 nan 0.000 0.451 333 D N -0.231 120.096 120.400 -0.121 0.000 2.117 333 D HA -0.227 4.414 4.640 0.001 0.000 0.197 333 D C 2.216 178.504 176.300 -0.021 0.000 0.987 333 D CA 1.664 55.603 54.000 -0.102 0.000 0.829 333 D CB 0.150 41.197 40.800 0.411 0.000 0.961 333 D HN 0.648 nan 8.370 nan 0.000 0.460 334 E N -0.201 120.017 120.200 0.030 0.000 2.072 334 E HA -0.171 4.180 4.350 0.001 0.000 0.191 334 E C 2.103 178.698 176.600 -0.009 0.000 0.985 334 E CA 0.590 57.008 56.400 0.030 0.000 0.801 334 E CB 0.171 29.898 29.700 0.046 0.000 0.750 334 E HN 0.029 nan 8.360 nan 0.000 0.452 335 R N 0.075 120.548 120.500 -0.045 0.000 2.148 335 R HA 0.005 4.345 4.340 0.001 0.000 0.227 335 R C 2.110 178.378 176.300 -0.054 0.000 1.103 335 R CA 0.950 57.016 56.100 -0.057 0.000 0.983 335 R CB -0.709 29.540 30.300 -0.085 0.000 0.874 335 R HN 0.245 nan 8.270 nan 0.000 0.451 336 A N 1.378 124.152 122.820 -0.077 0.000 2.125 336 A HA -0.112 4.208 4.320 0.001 0.000 0.219 336 A C 1.605 179.258 177.584 0.115 0.000 1.156 336 A CA 0.945 53.010 52.037 0.045 0.000 0.671 336 A CB -0.162 18.884 19.000 0.077 0.000 0.794 336 A HN 0.065 nan 8.150 nan 0.000 0.459 337 R N 0.080 120.602 120.500 0.036 0.000 2.313 337 R HA 0.139 4.479 4.340 0.001 0.000 0.199 337 R C 1.484 177.809 176.300 0.041 0.000 0.958 337 R CA 0.774 56.876 56.100 0.004 0.000 1.047 337 R CB -0.923 29.364 30.300 -0.021 0.000 0.955 337 R HN 0.475 nan 8.270 nan 0.000 0.481 338 S N -0.135 115.606 115.700 0.068 0.000 2.428 338 S HA -0.046 4.425 4.470 0.001 0.000 0.230 338 S C 0.507 175.232 174.600 0.208 0.000 1.014 338 S CA 0.849 59.111 58.200 0.103 0.000 0.957 338 S CB -0.082 63.154 63.200 0.060 0.000 0.784 338 S HN 0.416 nan 8.310 nan 0.000 0.499 339 H N -1.397 117.738 119.070 0.108 0.000 3.121 339 H HA 0.198 4.754 4.556 0.001 0.000 0.337 339 H C -2.883 172.583 175.328 0.230 0.000 1.198 339 H CA -1.201 54.957 56.048 0.183 0.000 1.274 339 H CB 1.455 31.366 29.762 0.249 0.000 1.954 339 H HN -0.238 nan 8.280 nan 0.000 0.531 340 P HA -0.147 nan 4.420 nan 0.000 0.216 340 P C 1.079 178.658 177.300 0.464 0.000 1.153 340 P CA 1.448 64.713 63.100 0.275 0.000 0.858 340 P CB 0.490 32.243 31.700 0.089 0.000 0.789 341 K N -0.858 119.975 120.400 0.721 0.000 2.097 341 K HA -0.018 4.303 4.320 0.001 0.000 0.205 341 K C 1.990 178.897 176.600 0.511 0.000 1.050 341 K CA 0.918 57.525 56.287 0.534 0.000 0.938 341 K CB -1.142 31.625 32.500 0.446 0.000 0.718 341 K HN 0.126 nan 8.250 nan 0.000 0.442 342 L N -0.508 121.014 121.223 0.498 0.000 2.109 342 L HA -0.152 4.188 4.340 0.001 0.000 0.207 342 L C 2.080 179.143 176.870 0.323 0.000 1.086 342 L CA 1.195 56.179 54.840 0.240 0.000 0.760 342 L CB -0.283 41.757 42.059 -0.032 0.000 0.910 342 L HN 0.225 nan 8.230 nan 0.000 0.437 343 Y N 0.069 120.513 120.300 0.240 0.000 2.165 343 Y HA -0.298 4.252 4.550 0.001 0.000 0.286 343 Y C 2.914 178.975 175.900 0.269 0.000 1.155 343 Y CA 1.649 59.910 58.100 0.268 0.000 1.164 343 Y CB -0.658 37.926 38.460 0.207 0.000 0.978 343 Y HN 0.156 nan 8.280 nan 0.000 0.513 344 S N 0.099 115.868 115.700 0.116 0.000 2.359 344 S HA -0.224 4.247 4.470 0.001 0.000 0.224 344 S C 2.325 176.962 174.600 0.061 0.000 1.035 344 S CA 1.688 59.875 58.200 -0.021 0.000 1.018 344 S CB -0.968 62.288 63.200 0.093 0.000 0.876 344 S HN 0.649 nan 8.310 nan 0.000 0.448 345 A N 0.067 123.003 122.820 0.193 0.000 1.972 345 A HA -0.059 4.262 4.320 0.001 0.000 0.219 345 A C 2.053 179.795 177.584 0.263 0.000 1.169 345 A CA 1.724 53.896 52.037 0.225 0.000 0.635 345 A CB -1.089 18.081 19.000 0.284 0.000 0.810 345 A HN 0.796 nan 8.150 nan 0.000 0.446 346 Y N 0.718 121.101 120.300 0.139 0.000 2.200 346 Y HA -0.107 4.443 4.550 0.001 0.000 0.290 346 Y C 2.028 178.015 175.900 0.146 0.000 1.137 346 Y CA 2.000 60.215 58.100 0.191 0.000 1.163 346 Y CB -0.438 38.168 38.460 0.243 0.000 0.988 346 Y HN 0.288 nan 8.280 nan 0.000 0.518 347 K N -0.398 119.924 120.400 -0.131 0.000 2.148 347 K HA -0.157 4.163 4.320 0.001 0.000 0.204 347 K C 2.232 178.758 176.600 -0.123 0.000 1.050 347 K CA 1.215 57.337 56.287 -0.275 0.000 0.942 347 K CB -0.113 32.189 32.500 -0.330 0.000 0.724 347 K HN 0.041 nan 8.250 nan 0.000 0.446 348 R N 1.268 121.759 120.500 -0.015 0.000 2.075 348 R HA -0.072 4.269 4.340 0.001 0.000 0.232 348 R C 1.981 178.360 176.300 0.132 0.000 1.126 348 R CA 1.045 57.166 56.100 0.034 0.000 0.963 348 R CB -0.738 29.620 30.300 0.097 0.000 0.858 348 R HN 0.136 nan 8.270 nan 0.000 0.435 349 L N 0.362 121.726 121.223 0.234 0.000 2.042 349 L HA -0.063 4.277 4.340 0.001 0.000 0.210 349 L C 1.835 178.891 176.870 0.310 0.000 1.076 349 L CA 1.781 56.844 54.840 0.371 0.000 0.749 349 L CB -0.503 41.819 42.059 0.439 0.000 0.893 349 L HN 0.300 nan 8.230 nan 0.000 0.432 350 L N -0.710 120.590 121.223 0.128 0.000 2.275 350 L HA -0.160 4.181 4.340 0.001 0.000 0.215 350 L C 2.293 179.193 176.870 0.049 0.000 1.119 350 L CA 0.930 55.795 54.840 0.041 0.000 0.790 350 L CB -0.577 41.396 42.059 -0.144 0.000 0.919 350 L HN 0.400 nan 8.230 nan 0.000 0.443 351 E N -1.087 119.105 120.200 -0.014 0.000 2.347 351 E HA -0.102 4.249 4.350 0.001 0.000 0.196 351 E C 0.643 177.206 176.600 -0.061 0.000 1.008 351 E CA 0.355 56.704 56.400 -0.085 0.000 0.852 351 E CB 0.058 29.641 29.700 -0.195 0.000 0.783 351 E HN 0.539 nan 8.360 nan 0.000 0.505 352 H N 0.089 119.265 119.070 0.177 0.000 2.820 352 H HA -0.016 4.541 4.556 0.001 0.000 0.291 352 H C 0.691 176.185 175.328 0.277 0.000 1.412 352 H CA -0.059 56.121 56.048 0.221 0.000 1.176 352 H CB -0.398 29.501 29.762 0.229 0.000 1.467 352 H HN 0.283 nan 8.280 nan 0.000 0.517 353 Y N 1.849 122.256 120.300 0.178 0.000 2.114 353 Y HA -0.309 4.242 4.550 0.001 0.000 0.282 353 Y C 2.024 178.001 175.900 0.128 0.000 1.165 353 Y CA 2.027 60.203 58.100 0.126 0.000 1.148 353 Y CB -0.230 38.261 38.460 0.051 0.000 0.972 353 Y HN 0.141 nan 8.280 nan 0.000 0.504 354 T N 0.978 115.508 114.554 -0.041 0.000 2.684 354 T HA -0.258 4.093 4.350 0.001 0.000 0.267 354 T C 1.542 176.177 174.700 -0.108 0.000 1.036 354 T CA 1.794 63.809 62.100 -0.142 0.000 1.148 354 T CB -0.887 68.010 68.868 0.048 0.000 0.863 354 T HN 0.498 nan 8.240 nan 0.000 0.436 355 F N 1.737 121.669 119.950 -0.030 0.000 2.084 355 F HA 0.006 4.534 4.527 0.001 0.000 0.296 355 F C 1.948 177.757 175.800 0.014 0.000 1.111 355 F CA 1.112 59.122 58.000 0.016 0.000 1.224 355 F CB -0.656 38.419 39.000 0.125 0.000 0.991 355 F HN 0.034 nan 8.300 nan 0.000 0.471 356 L N 0.314 121.486 121.223 -0.085 0.000 2.042 356 L HA -0.211 4.129 4.340 0.001 0.000 0.210 356 L C 2.635 179.390 176.870 -0.191 0.000 1.076 356 L CA 1.797 56.591 54.840 -0.078 0.000 0.749 356 L CB -0.986 41.243 42.059 0.284 0.000 0.893 356 L HN 0.224 nan 8.230 nan 0.000 0.432 357 E N 0.767 120.764 120.200 -0.339 0.000 2.209 357 E HA -0.293 4.058 4.350 0.001 0.000 0.196 357 E C 1.937 178.302 176.600 -0.393 0.000 0.993 357 E CA 1.432 57.600 56.400 -0.386 0.000 0.819 357 E CB 0.071 29.315 29.700 -0.761 0.000 0.745 357 E HN 0.579 nan 8.360 nan 0.000 0.477 358 E N -1.120 118.722 120.200 -0.597 0.000 2.204 358 E HA -0.155 4.196 4.350 0.001 0.000 0.195 358 E C 1.137 177.214 176.600 -0.871 0.000 0.990 358 E CA 0.997 56.918 56.400 -0.798 0.000 0.821 358 E CB -0.111 28.923 29.700 -1.109 0.000 0.750 358 E HN 0.294 nan 8.360 nan 0.000 0.477 359 F N -0.111 119.702 119.950 -0.227 0.000 2.706 359 F HA 0.267 4.794 4.527 0.001 0.000 0.308 359 F C 0.461 176.184 175.800 -0.128 0.000 1.095 359 F CA -0.756 57.133 58.000 -0.186 0.000 1.244 359 F CB 0.529 39.398 39.000 -0.219 0.000 1.063 359 F HN -0.142 nan 8.300 nan 0.000 0.582 360 E N 3.431 123.644 120.200 0.020 0.000 2.328 360 E HA 0.141 4.492 4.350 0.001 0.000 0.265 360 E C -2.389 174.232 176.600 0.036 0.000 1.057 360 E CA -2.345 54.103 56.400 0.079 0.000 0.916 360 E CB 0.366 30.136 29.700 0.117 0.000 0.993 360 E HN -0.045 nan 8.360 nan 0.000 0.446 361 P HA -0.078 nan 4.420 nan 0.000 0.267 361 P C 0.444 177.796 177.300 0.086 0.000 1.201 361 P CA -0.035 63.079 63.100 0.023 0.000 0.775 361 P CB 0.492 32.279 31.700 0.146 0.000 0.854 362 I N 0.440 121.058 120.570 0.079 0.000 2.761 362 I HA -0.007 4.163 4.170 0.001 0.000 0.261 362 I C 0.746 176.896 176.117 0.055 0.000 1.198 362 I CA 1.688 63.032 61.300 0.074 0.000 1.482 362 I CB -0.020 38.003 38.000 0.038 0.000 1.100 362 I HN 0.295 nan 8.210 nan 0.000 0.445 363 T N -0.216 114.309 114.554 -0.049 0.000 2.889 363 T HA 0.506 4.856 4.350 0.001 0.000 0.315 363 T C -1.093 173.331 174.700 -0.461 0.000 1.291 363 T CA -0.767 61.038 62.100 -0.492 0.000 1.028 363 T CB 1.069 69.728 68.868 -0.348 0.000 1.235 363 T HN 0.024 nan 8.240 nan 0.000 0.491 364 K N 1.460 121.384 120.400 -0.794 0.000 2.482 364 K HA 0.437 4.758 4.320 0.001 0.000 0.257 364 K C 0.834 177.270 176.600 -0.272 0.000 0.969 364 K CA -1.037 55.042 56.287 -0.347 0.000 0.842 364 K CB 2.137 34.573 32.500 -0.107 0.000 1.359 364 K HN 0.627 nan 8.250 nan 0.000 0.441 365 K N -0.364 119.942 120.400 -0.157 0.000 2.167 365 K HA 0.041 4.362 4.320 0.001 0.000 0.203 365 K C 0.972 177.540 176.600 -0.053 0.000 1.052 365 K CA 0.620 56.844 56.287 -0.105 0.000 0.956 365 K CB 0.129 32.571 32.500 -0.096 0.000 0.735 365 K HN 0.245 nan 8.250 nan 0.000 0.451 366 S N 0.470 116.144 115.700 -0.043 0.000 2.580 366 S HA 0.449 4.919 4.470 0.001 0.000 0.274 366 S C -0.202 174.388 174.600 -0.017 0.000 1.329 366 S CA -0.616 57.548 58.200 -0.060 0.000 1.036 366 S CB 0.724 63.880 63.200 -0.073 0.000 0.919 366 S HN 0.415 nan 8.310 nan 0.000 0.515 367 A N 4.168 126.887 122.820 -0.167 0.000 2.304 367 A HA 0.468 4.789 4.320 0.001 0.000 0.271 367 A C -0.011 177.458 177.584 -0.192 0.000 1.091 367 A CA -0.629 51.335 52.037 -0.122 0.000 0.812 367 A CB 0.206 19.116 19.000 -0.150 0.000 1.056 367 A HN 0.920 nan 8.150 nan 0.000 0.489 368 L N 2.350 123.592 121.223 0.032 0.000 2.369 368 L HA 0.351 4.692 4.340 0.001 0.000 0.279 368 L C -1.232 175.831 176.870 0.322 0.000 1.108 368 L CA 0.085 55.013 54.840 0.147 0.000 0.852 368 L CB -0.385 41.731 42.059 0.094 0.000 1.169 368 L HN 0.668 nan 8.230 nan 0.000 0.452 369 F N 4.962 125.065 119.950 0.254 0.000 2.458 369 F HA 0.310 4.838 4.527 0.001 0.000 0.336 369 F C 0.335 176.177 175.800 0.071 0.000 1.114 369 F CA -1.131 56.972 58.000 0.173 0.000 0.987 369 F CB 1.785 40.909 39.000 0.206 0.000 1.130 369 F HN 0.424 nan 8.300 nan 0.000 0.458 370 K N 5.087 125.568 120.400 0.135 0.000 2.263 370 K HA 0.282 4.603 4.320 0.001 0.000 0.282 370 K C -0.136 176.429 176.600 -0.058 0.000 1.089 370 K CA -0.362 55.881 56.287 -0.073 0.000 0.907 370 K CB 0.384 32.818 32.500 -0.110 0.000 1.148 370 K HN 0.677 nan 8.250 nan 0.000 0.470 371 I N 0.486 121.020 120.570 -0.060 0.000 3.936 371 I HA 0.224 4.395 4.170 0.001 0.000 0.330 371 I C -0.520 175.584 176.117 -0.023 0.000 1.509 371 I CA -0.509 60.790 61.300 -0.002 0.000 1.126 371 I CB 0.314 38.384 38.000 0.118 0.000 1.115 371 I HN 0.433 nan 8.210 nan 0.000 0.424 372 S N -1.259 114.382 115.700 -0.099 0.000 2.688 372 S HA 0.309 4.779 4.470 0.001 0.000 0.266 372 S C -0.346 174.170 174.600 -0.141 0.000 1.061 372 S CA -0.622 57.536 58.200 -0.070 0.000 0.844 372 S CB 0.139 63.354 63.200 0.024 0.000 1.103 372 S HN 0.063 nan 8.310 nan 0.000 0.471 373 N N 0.634 119.282 118.700 -0.087 0.000 2.270 373 N HA 0.060 4.801 4.740 0.001 0.000 0.181 373 N C 1.200 176.598 175.510 -0.187 0.000 1.016 373 N CA 1.273 54.250 53.050 -0.122 0.000 0.870 373 N CB -0.198 38.254 38.487 -0.059 0.000 0.979 373 N HN 0.639 nan 8.380 nan 0.000 0.431 374 E N -0.034 120.083 120.200 -0.139 0.000 2.153 374 E HA -0.119 4.232 4.350 0.001 0.000 0.194 374 E C 1.910 178.188 176.600 -0.536 0.000 0.988 374 E CA 1.079 57.344 56.400 -0.226 0.000 0.811 374 E CB -0.265 29.404 29.700 -0.053 0.000 0.746 374 E HN 0.425 nan 8.360 nan 0.000 0.466 375 S N 0.226 115.452 115.700 -0.790 0.000 2.442 375 S HA -0.099 4.371 4.470 0.001 0.000 0.236 375 S C 1.840 175.770 174.600 -1.117 0.000 1.007 375 S CA 0.620 57.721 58.200 -1.832 0.000 0.965 375 S CB -0.367 61.803 63.200 -1.718 0.000 0.773 375 S HN 0.212 nan 8.310 nan 0.000 0.504 376 L N -0.255 120.591 121.223 -0.629 0.000 2.465 376 L HA 0.154 4.495 4.340 0.001 0.000 0.224 376 L C 2.334 178.986 176.870 -0.363 0.000 1.145 376 L CA 0.771 55.345 54.840 -0.443 0.000 0.834 376 L CB -0.206 41.658 42.059 -0.325 0.000 0.944 376 L HN 0.221 nan 8.230 nan 0.000 0.451 377 R N -1.638 118.641 120.500 -0.367 0.000 2.468 377 R HA 0.066 4.406 4.340 0.001 0.000 0.280 377 R C -0.393 175.819 176.300 -0.146 0.000 0.963 377 R CA -0.411 55.540 56.100 -0.247 0.000 1.083 377 R CB 0.289 30.452 30.300 -0.227 0.000 1.200 377 R HN 0.067 nan 8.270 nan 0.000 0.541 378 W N 1.191 122.311 121.300 -0.300 0.000 2.158 378 W HA 0.113 4.773 4.660 0.001 0.000 0.339 378 W C -1.514 174.850 176.519 -0.258 0.000 1.294 378 W CA -2.526 54.549 57.345 -0.450 0.000 1.231 378 W CB -0.313 28.877 29.460 -0.450 0.000 1.143 378 W HN -0.032 nan 8.180 nan 0.000 0.571 379 P HA -0.271 nan 4.420 nan 0.000 0.219 379 P C 1.624 179.074 177.300 0.251 0.000 1.161 379 P CA 2.305 65.548 63.100 0.237 0.000 0.909 379 P CB 0.074 31.888 31.700 0.190 0.000 0.793 380 V N -1.031 118.997 119.914 0.189 0.000 2.469 380 V HA -0.196 3.925 4.120 0.001 0.000 0.251 380 V C 2.384 178.567 176.094 0.149 0.000 1.064 380 V CA 1.714 64.124 62.300 0.183 0.000 1.066 380 V CB -1.138 30.806 31.823 0.202 0.000 0.667 380 V HN 0.001 nan 8.190 nan 0.000 0.461 381 V N -0.445 119.547 119.914 0.130 0.000 2.346 381 V HA -0.123 3.998 4.120 0.001 0.000 0.244 381 V C 2.660 178.818 176.094 0.107 0.000 1.037 381 V CA 1.507 63.863 62.300 0.094 0.000 1.029 381 V CB -0.705 31.032 31.823 -0.144 0.000 0.663 381 V HN 0.406 nan 8.190 nan 0.000 0.454 382 R N 0.213 120.710 120.500 -0.004 0.000 2.083 382 R HA -0.161 4.179 4.340 0.001 0.000 0.237 382 R C 2.377 178.677 176.300 0.000 0.000 1.137 382 R CA 1.684 57.689 56.100 -0.158 0.000 0.951 382 R CB -0.736 29.185 30.300 -0.630 0.000 0.851 382 R HN 0.469 nan 8.270 nan 0.000 0.434 383 R N 0.660 121.268 120.500 0.181 0.000 2.070 383 R HA -0.097 4.244 4.340 0.001 0.000 0.232 383 R C 2.172 178.558 176.300 0.144 0.000 1.138 383 R CA 1.715 57.942 56.100 0.212 0.000 0.936 383 R CB -0.333 30.090 30.300 0.204 0.000 0.839 383 R HN 0.210 nan 8.270 nan 0.000 0.429 384 A N 1.093 123.992 122.820 0.130 0.000 1.978 384 A HA -0.206 4.115 4.320 0.001 0.000 0.220 384 A C 2.107 179.792 177.584 0.168 0.000 1.170 384 A CA 1.677 53.785 52.037 0.120 0.000 0.636 384 A CB -0.440 18.370 19.000 -0.316 0.000 0.810 384 A HN 0.413 nan 8.150 nan 0.000 0.448 385 K N -0.333 120.180 120.400 0.188 0.000 2.057 385 K HA -0.144 4.177 4.320 0.001 0.000 0.206 385 K C 1.943 178.618 176.600 0.126 0.000 1.050 385 K CA 1.514 57.918 56.287 0.195 0.000 0.935 385 K CB -0.129 32.486 32.500 0.191 0.000 0.715 385 K HN 0.665 nan 8.250 nan 0.000 0.439 386 E N 0.028 120.289 120.200 0.102 0.000 2.072 386 E HA -0.162 4.189 4.350 0.001 0.000 0.191 386 E C 2.090 178.752 176.600 0.104 0.000 0.985 386 E CA 0.906 57.356 56.400 0.083 0.000 0.801 386 E CB -0.008 29.740 29.700 0.079 0.000 0.750 386 E HN 0.228 nan 8.360 nan 0.000 0.452 387 R N 0.411 120.993 120.500 0.136 0.000 2.189 387 R HA 0.008 4.348 4.340 0.001 0.000 0.218 387 R C 2.193 178.636 176.300 0.239 0.000 1.074 387 R CA 0.827 57.019 56.100 0.153 0.000 0.991 387 R CB -0.087 30.250 30.300 0.062 0.000 0.883 387 R HN 0.100 nan 8.270 nan 0.000 0.457 388 A N 1.370 124.323 122.820 0.221 0.000 1.970 388 A HA -0.088 4.233 4.320 0.001 0.000 0.216 388 A C 1.760 179.369 177.584 0.042 0.000 1.170 388 A CA 0.774 52.866 52.037 0.093 0.000 0.645 388 A CB -0.093 18.901 19.000 -0.010 0.000 0.816 388 A HN 0.130 nan 8.150 nan 0.000 0.447 389 K N 0.536 120.972 120.400 0.059 0.000 2.071 389 K HA -0.259 4.061 4.320 0.001 0.000 0.217 389 K C 2.448 179.084 176.600 0.059 0.000 1.054 389 K CA 2.139 58.455 56.287 0.048 0.000 0.937 389 K CB -0.343 32.187 32.500 0.050 0.000 0.719 389 K HN 0.671 nan 8.250 nan 0.000 0.454 390 S N 0.685 116.433 115.700 0.080 0.000 2.383 390 S HA -0.131 4.340 4.470 0.001 0.000 0.227 390 S C 2.007 176.694 174.600 0.145 0.000 1.026 390 S CA 1.029 59.289 58.200 0.100 0.000 0.981 390 S CB -0.310 62.952 63.200 0.104 0.000 0.818 390 S HN 0.117 nan 8.310 nan 0.000 0.472 391 I N 3.481 124.130 120.570 0.131 0.000 2.226 391 I HA -0.111 4.059 4.170 0.001 0.000 0.245 391 I C 2.399 178.630 176.117 0.190 0.000 1.100 391 I CA 1.106 62.497 61.300 0.151 0.000 1.374 391 I CB -0.790 37.154 38.000 -0.094 0.000 1.057 391 I HN 0.297 nan 8.210 nan 0.000 0.413 392 N N 0.447 119.182 118.700 0.057 0.000 2.084 392 N HA -0.211 4.530 4.740 0.001 0.000 0.190 392 N C 1.642 177.206 175.510 0.090 0.000 1.030 392 N CA 1.065 54.138 53.050 0.039 0.000 0.849 392 N CB -0.390 38.082 38.487 -0.026 0.000 1.012 392 N HN 0.455 nan 8.380 nan 0.000 0.423 393 E N 0.367 120.616 120.200 0.082 0.000 2.461 393 E HA -0.022 4.328 4.350 0.001 0.000 0.196 393 E C 1.502 178.145 176.600 0.072 0.000 1.129 393 E CA 0.063 56.502 56.400 0.065 0.000 0.902 393 E CB 0.277 30.006 29.700 0.049 0.000 0.963 393 E HN 0.233 nan 8.360 nan 0.000 0.503 394 R N -1.438 119.138 120.500 0.127 0.000 2.716 394 R HA 0.079 4.419 4.340 0.001 0.000 0.186 394 R C 0.732 177.006 176.300 -0.043 0.000 0.830 394 R CA 0.091 56.210 56.100 0.032 0.000 1.059 394 R CB 0.052 30.376 30.300 0.040 0.000 1.531 394 R HN 0.091 nan 8.270 nan 0.000 0.633 395 F N 1.398 121.375 119.950 0.044 0.000 2.754 395 F HA 0.398 4.926 4.527 0.002 0.000 0.297 395 F C 1.636 177.521 175.800 0.142 0.000 1.122 395 F CA 0.697 58.770 58.000 0.121 0.000 1.400 395 F CB 0.249 39.376 39.000 0.211 0.000 1.117 395 F HN 0.377 nan 8.300 nan 0.000 0.587 396 G N 0.567 109.494 108.800 0.211 0.000 2.634 396 G HA2 -0.381 3.580 3.960 0.001 0.000 0.309 396 G HA3 -0.381 3.580 3.960 0.001 0.000 0.309 396 G C 0.390 175.297 174.900 0.011 0.000 1.265 396 G CA 0.347 45.499 45.100 0.087 0.000 0.998 396 G HN 0.277 nan 8.290 nan 0.000 0.551 397 E N -0.551 119.626 120.200 -0.039 0.000 2.228 397 E HA -0.192 4.158 4.350 0.001 0.000 0.213 397 E C 0.735 177.222 176.600 -0.188 0.000 1.282 397 E CA 1.174 57.474 56.400 -0.165 0.000 0.707 397 E CB -1.566 27.882 29.700 -0.420 0.000 1.150 397 E HN 0.617 nan 8.360 nan 0.000 0.362 398 L N -0.132 121.030 121.223 -0.101 0.000 2.439 398 L HA 0.359 4.700 4.340 0.001 0.000 0.269 398 L C 0.885 177.722 176.870 -0.056 0.000 1.179 398 L CA -0.057 54.733 54.840 -0.084 0.000 0.828 398 L CB 0.869 42.902 42.059 -0.044 0.000 1.106 398 L HN 0.013 nan 8.230 nan 0.000 0.467 399 V N 2.333 122.234 119.914 -0.022 0.000 3.102 399 V HA 0.354 4.474 4.120 0.001 0.000 0.312 399 V C -0.499 175.666 176.094 0.118 0.000 1.135 399 V CA -0.625 61.704 62.300 0.047 0.000 1.022 399 V CB 2.587 34.460 31.823 0.084 0.000 1.056 399 V HN 0.820 nan 8.190 nan 0.000 0.436 400 E N 3.534 123.826 120.200 0.154 0.000 2.331 400 E HA 0.358 4.708 4.350 0.001 0.000 0.272 400 E C -1.148 175.632 176.600 0.300 0.000 1.036 400 E CA -0.293 56.210 56.400 0.173 0.000 0.864 400 E CB 0.748 30.518 29.700 0.117 0.000 1.035 400 E HN 0.590 nan 8.360 nan 0.000 0.408 401 H N 3.083 122.219 119.070 0.109 0.000 2.782 401 H HA 0.176 4.732 4.556 0.001 0.000 0.347 401 H C -2.234 173.100 175.328 0.009 0.000 1.038 401 H CA -2.298 53.746 56.048 -0.006 0.000 1.255 401 H CB 2.039 31.712 29.762 -0.149 0.000 1.623 401 H HN 0.236 nan 8.280 nan 0.000 0.525 402 P HA -0.093 nan 4.420 nan 0.000 0.216 402 P C 1.375 178.714 177.300 0.064 0.000 1.153 402 P CA 1.325 64.439 63.100 0.022 0.000 0.858 402 P CB 0.608 32.285 31.700 -0.039 0.000 0.789 403 I N -3.253 117.441 120.570 0.207 0.000 2.556 403 I HA -0.054 4.117 4.170 0.001 0.000 0.251 403 I C 1.575 177.480 176.117 -0.354 0.000 1.105 403 I CA 0.920 62.124 61.300 -0.159 0.000 1.436 403 I CB -0.270 37.495 38.000 -0.391 0.000 1.139 403 I HN -0.204 nan 8.210 nan 0.000 0.438 404 F N 0.708 120.611 119.950 -0.078 0.000 2.789 404 F HA 0.275 4.803 4.527 0.001 0.000 0.300 404 F C 1.896 177.670 175.800 -0.044 0.000 1.132 404 F CA 0.650 58.564 58.000 -0.143 0.000 1.404 404 F CB -0.105 38.746 39.000 -0.249 0.000 1.114 404 F HN 0.208 nan 8.300 nan 0.000 0.584 405 G N 0.903 109.798 108.800 0.158 0.000 4.655 405 G HA2 -0.305 3.656 3.960 0.001 0.000 0.220 405 G HA3 -0.305 3.656 3.960 0.001 0.000 0.220 405 G C 0.244 175.219 174.900 0.126 0.000 1.403 405 G CA 0.262 45.428 45.100 0.111 0.000 0.931 405 G HN 0.354 nan 8.290 nan 0.000 0.654 406 R N -0.258 120.300 120.500 0.097 0.000 2.522 406 R HA 0.801 5.142 4.340 0.001 0.000 0.283 406 R C -1.555 174.731 176.300 -0.024 0.000 1.074 406 R CA -0.252 55.880 56.100 0.053 0.000 0.925 406 R CB 1.180 31.497 30.300 0.028 0.000 1.205 406 R HN 1.353 nan 8.270 nan 0.000 0.436 407 V N 0.675 120.533 119.914 -0.094 0.000 3.049 407 V HA 0.513 4.634 4.120 0.001 0.000 0.309 407 V C -0.488 175.442 176.094 -0.274 0.000 1.148 407 V CA -0.575 61.550 62.300 -0.290 0.000 0.990 407 V CB 2.443 33.872 31.823 -0.656 0.000 1.039 407 V HN 0.976 nan 8.190 nan 0.000 0.430 408 S N 3.449 118.948 115.700 -0.335 0.000 2.549 408 S HA 0.144 4.615 4.470 0.001 0.000 0.286 408 S C 1.447 175.803 174.600 -0.406 0.000 1.314 408 S CA 0.575 58.585 58.200 -0.316 0.000 1.062 408 S CB 0.441 63.495 63.200 -0.244 0.000 0.865 408 S HN 0.918 nan 8.310 nan 0.000 0.498 409 R N 3.683 123.903 120.500 -0.466 0.000 2.249 409 R HA -0.130 4.211 4.340 0.001 0.000 0.230 409 R C 1.060 177.021 176.300 -0.566 0.000 1.121 409 R CA 1.820 57.665 56.100 -0.424 0.000 0.997 409 R CB -0.650 29.387 30.300 -0.439 0.000 0.867 409 R HN 0.803 nan 8.270 nan 0.000 0.465 410 Y N 0.701 120.640 120.300 -0.601 0.000 2.571 410 Y HA 0.066 4.616 4.550 0.001 0.000 0.294 410 Y C 1.689 177.224 175.900 -0.609 0.000 1.141 410 Y CA 0.218 57.727 58.100 -0.985 0.000 1.308 410 Y CB 0.248 38.209 38.460 -0.831 0.000 1.002 410 Y HN 0.012 nan 8.280 nan 0.000 0.551 411 L N -1.018 119.958 121.223 -0.411 0.000 2.766 411 L HA 0.029 4.370 4.340 0.001 0.000 0.242 411 L C 2.238 178.929 176.870 -0.298 0.000 1.136 411 L CA 0.308 54.866 54.840 -0.471 0.000 0.933 411 L CB -0.051 41.469 42.059 -0.897 0.000 1.241 411 L HN 0.135 nan 8.230 nan 0.000 0.522 412 S N 0.428 116.047 115.700 -0.134 0.000 2.440 412 S HA -0.129 4.341 4.470 0.001 0.000 0.238 412 S C 1.607 176.367 174.600 0.267 0.000 1.010 412 S CA 0.964 59.264 58.200 0.167 0.000 0.972 412 S CB -0.376 62.939 63.200 0.192 0.000 0.774 412 S HN 0.489 nan 8.310 nan 0.000 0.501 413 L N 1.021 122.367 121.223 0.204 0.000 2.592 413 L HA 0.244 4.584 4.340 0.001 0.000 0.227 413 L C 0.265 177.246 176.870 0.185 0.000 1.127 413 L CA 0.023 54.981 54.840 0.197 0.000 0.884 413 L CB -0.322 41.845 42.059 0.180 0.000 1.065 413 L HN 0.218 nan 8.230 nan 0.000 0.457 414 T N -1.436 113.230 114.554 0.187 0.000 2.888 414 T HA 0.257 4.608 4.350 0.001 0.000 0.284 414 T C -0.738 174.115 174.700 0.256 0.000 1.017 414 T CA -0.403 61.815 62.100 0.198 0.000 1.022 414 T CB 1.639 70.571 68.868 0.107 0.000 1.013 414 T HN -0.055 nan 8.240 nan 0.000 0.465 415 Y N 5.210 125.573 120.300 0.106 0.000 2.597 415 Y HA 0.203 4.753 4.550 0.001 0.000 0.336 415 Y C -1.545 174.298 175.900 -0.096 0.000 1.216 415 Y CA -1.310 56.812 58.100 0.037 0.000 1.463 415 Y CB 0.856 39.346 38.460 0.051 0.000 1.303 415 Y HN 0.366 nan 8.280 nan 0.000 0.576 416 P HA 0.063 nan 4.420 nan 0.000 0.263 416 P C 0.339 177.318 177.300 -0.534 0.000 1.448 416 P CA 0.401 62.821 63.100 -1.134 0.000 0.983 416 P CB -0.245 30.740 31.700 -1.193 0.000 1.481 417 F N 1.239 121.051 119.950 -0.230 0.000 2.074 417 F HA -0.035 4.493 4.527 0.001 0.000 0.293 417 F C 2.721 178.648 175.800 0.212 0.000 1.116 417 F CA 1.164 59.088 58.000 -0.127 0.000 1.212 417 F CB -1.429 37.391 39.000 -0.300 0.000 0.998 417 F HN -0.039 nan 8.300 nan 0.000 0.471 418 A N 0.627 123.706 122.820 0.432 0.000 1.836 418 A HA -0.317 4.004 4.320 0.001 0.000 0.215 418 A C 1.977 179.791 177.584 0.384 0.000 1.214 418 A CA 2.181 54.485 52.037 0.444 0.000 0.636 418 A CB -1.257 17.921 19.000 0.297 0.000 0.847 418 A HN 0.436 nan 8.150 nan 0.000 0.451 419 Q N 0.771 120.737 119.800 0.276 0.000 2.443 419 Q HA 0.022 4.363 4.340 0.001 0.000 0.213 419 Q C 1.226 177.379 176.000 0.255 0.000 0.982 419 Q CA 0.662 56.608 55.803 0.238 0.000 0.894 419 Q CB -0.693 28.169 28.738 0.207 0.000 0.947 419 Q HN 0.480 nan 8.270 nan 0.000 0.480 420 S N 0.663 116.527 115.700 0.274 0.000 2.561 420 S HA -0.042 4.429 4.470 0.001 0.000 0.294 420 S C -0.203 174.577 174.600 0.300 0.000 1.294 420 S CA 0.008 58.380 58.200 0.287 0.000 1.055 420 S CB 0.316 63.745 63.200 0.382 0.000 0.819 420 S HN 0.371 nan 8.310 nan 0.000 0.503 421 E N 1.840 122.244 120.200 0.340 0.000 2.321 421 E HA 0.598 4.949 4.350 0.001 0.000 0.281 421 E C -0.840 175.841 176.600 0.135 0.000 0.910 421 E CA -0.599 55.959 56.400 0.263 0.000 0.770 421 E CB 1.440 31.361 29.700 0.369 0.000 1.225 421 E HN 0.712 nan 8.360 nan 0.000 0.417 422 A N 3.242 126.078 122.820 0.027 0.000 3.423 422 A HA 0.458 4.779 4.320 0.001 0.000 0.226 422 A C 0.304 177.851 177.584 -0.062 0.000 1.055 422 A CA -0.298 51.719 52.037 -0.033 0.000 0.786 422 A CB 0.272 19.257 19.000 -0.026 0.000 1.400 422 A HN 0.602 nan 8.150 nan 0.000 0.673 423 E N 1.080 121.247 120.200 -0.056 0.000 2.153 423 E HA -0.034 4.317 4.350 0.001 0.000 0.194 423 E C -0.480 176.100 176.600 -0.034 0.000 0.988 423 E CA 1.382 57.751 56.400 -0.052 0.000 0.811 423 E CB 0.014 29.688 29.700 -0.043 0.000 0.746 423 E HN 0.492 nan 8.360 nan 0.000 0.466 424 D N 0.844 121.232 120.400 -0.020 0.000 2.362 424 D HA 0.144 4.784 4.640 0.001 0.000 0.247 424 D C -0.480 175.830 176.300 0.016 0.000 1.050 424 D CA -0.448 53.550 54.000 -0.003 0.000 0.839 424 D CB 1.381 42.182 40.800 0.003 0.000 1.283 424 D HN -0.075 nan 8.370 nan 0.000 0.477 425 D N 0.534 120.949 120.400 0.025 0.000 2.371 425 D HA 0.110 4.751 4.640 0.001 0.000 0.242 425 D C -0.388 175.971 176.300 0.098 0.000 1.218 425 D CA 0.220 54.254 54.000 0.056 0.000 0.945 425 D CB 0.941 41.762 40.800 0.034 0.000 1.137 425 D HN 0.202 nan 8.370 nan 0.000 0.464 426 F N 0.856 120.766 119.950 -0.067 0.000 2.403 426 F HA 0.253 4.780 4.527 0.001 0.000 0.355 426 F C -0.220 175.552 175.800 -0.045 0.000 1.119 426 F CA -0.960 56.971 58.000 -0.114 0.000 1.007 426 F CB 0.794 39.645 39.000 -0.248 0.000 1.194 426 F HN -0.059 nan 8.300 nan 0.000 0.443 427 K N 7.836 127.888 120.400 -0.579 0.000 2.349 427 K HA 0.358 4.679 4.320 0.001 0.000 0.289 427 K C -0.338 175.728 176.600 -0.889 0.000 1.064 427 K CA -0.162 55.799 56.287 -0.544 0.000 0.947 427 K CB 0.912 33.243 32.500 -0.281 0.000 1.007 427 K HN 0.622 nan 8.250 nan 0.000 0.478 428 I N 2.970 123.167 120.570 -0.620 0.000 2.474 428 I HA 0.035 4.206 4.170 0.001 0.000 0.287 428 I C 0.223 176.218 176.117 -0.204 0.000 1.048 428 I CA -0.459 60.584 61.300 -0.429 0.000 1.383 428 I CB 0.924 38.829 38.000 -0.158 0.000 1.412 428 I HN 0.392 nan 8.210 nan 0.000 0.531 429 E N 6.328 126.462 120.200 -0.110 0.000 2.130 429 E HA 0.264 4.615 4.350 0.001 0.000 0.284 429 E C -0.610 176.023 176.600 0.055 0.000 1.018 429 E CA -0.375 56.010 56.400 -0.026 0.000 0.817 429 E CB 0.719 30.411 29.700 -0.013 0.000 1.078 429 E HN 0.277 nan 8.360 nan 0.000 0.396 430 K N 3.798 124.197 120.400 -0.002 0.000 2.295 430 K HA 0.252 4.573 4.320 0.001 0.000 0.270 430 K C -2.147 174.405 176.600 -0.081 0.000 1.011 430 K CA -1.596 54.657 56.287 -0.057 0.000 0.953 430 K CB 0.291 32.752 32.500 -0.066 0.000 0.956 430 K HN 0.289 nan 8.250 nan 0.000 0.477 431 P HA 0.009 nan 4.420 nan 0.000 0.274 431 P C -0.179 177.058 177.300 -0.105 0.000 1.237 431 P CA -0.299 62.563 63.100 -0.397 0.000 0.793 431 P CB 0.737 31.891 31.700 -0.911 0.000 0.977 432 T N -1.845 112.722 114.554 0.020 0.000 2.906 432 T HA 0.342 4.693 4.350 0.001 0.000 0.283 432 T C 1.012 175.724 174.700 0.020 0.000 1.098 432 T CA -0.342 61.777 62.100 0.032 0.000 0.960 432 T CB 0.498 69.412 68.868 0.076 0.000 1.776 432 T HN 0.158 nan 8.240 nan 0.000 0.594 433 K N 0.095 120.514 120.400 0.031 0.000 2.262 433 K HA 0.116 4.436 4.320 0.001 0.000 0.200 433 K C 1.614 178.241 176.600 0.046 0.000 1.049 433 K CA 0.676 56.979 56.287 0.026 0.000 0.979 433 K CB 0.084 32.597 32.500 0.022 0.000 0.773 433 K HN 0.481 nan 8.250 nan 0.000 0.474 434 E N 0.544 120.785 120.200 0.067 0.000 2.479 434 E HA -0.011 4.340 4.350 0.001 0.000 0.193 434 E C 0.274 176.943 176.600 0.115 0.000 1.049 434 E CA 0.491 56.937 56.400 0.077 0.000 0.870 434 E CB 0.396 30.139 29.700 0.072 0.000 0.944 434 E HN 0.169 nan 8.360 nan 0.000 0.492 435 D N -0.594 119.904 120.400 0.162 0.000 2.479 435 D HA 0.182 4.823 4.640 0.001 0.000 0.216 435 D C 1.638 178.108 176.300 0.284 0.000 1.110 435 D CA 0.474 54.650 54.000 0.293 0.000 0.841 435 D CB 0.375 41.520 40.800 0.575 0.000 1.040 435 D HN 0.133 nan 8.370 nan 0.000 0.505 436 A N 1.524 124.409 122.820 0.108 0.000 1.881 436 A HA -0.237 4.084 4.320 0.001 0.000 0.219 436 A C 2.142 179.781 177.584 0.092 0.000 1.215 436 A CA 1.423 53.480 52.037 0.034 0.000 0.648 436 A CB -0.657 18.347 19.000 0.007 0.000 0.832 436 A HN 0.229 nan 8.150 nan 0.000 0.455 437 I N -1.077 119.546 120.570 0.088 0.000 2.439 437 I HA -0.085 4.085 4.170 0.001 0.000 0.251 437 I C 2.062 178.229 176.117 0.084 0.000 1.139 437 I CA 1.748 63.099 61.300 0.086 0.000 1.438 437 I CB -0.256 37.792 38.000 0.080 0.000 1.085 437 I HN 0.241 nan 8.210 nan 0.000 0.427 438 K N -0.253 120.186 120.400 0.065 0.000 2.103 438 K HA -0.201 4.120 4.320 0.001 0.000 0.207 438 K C 1.897 178.384 176.600 -0.189 0.000 1.048 438 K CA 1.834 58.059 56.287 -0.103 0.000 0.930 438 K CB -0.463 31.857 32.500 -0.301 0.000 0.716 438 K HN 0.362 nan 8.250 nan 0.000 0.444 439 Y N -0.609 119.602 120.300 -0.148 0.000 2.184 439 Y HA -0.119 4.432 4.550 0.001 0.000 0.290 439 Y C 2.167 177.992 175.900 -0.126 0.000 1.129 439 Y CA 0.956 59.005 58.100 -0.085 0.000 1.144 439 Y CB -0.550 37.922 38.460 0.020 0.000 0.995 439 Y HN -0.201 nan 8.280 nan 0.000 0.513 440 V N 0.135 120.092 119.914 0.072 0.000 2.324 440 V HA -0.388 3.732 4.120 0.001 0.000 0.250 440 V C 2.207 178.241 176.094 -0.099 0.000 1.060 440 V CA 2.176 64.440 62.300 -0.059 0.000 1.042 440 V CB -0.677 31.099 31.823 -0.077 0.000 0.650 440 V HN 0.441 nan 8.190 nan 0.000 0.450 441 M N -0.448 119.153 119.600 0.002 0.000 2.175 441 M HA -0.098 4.383 4.480 0.001 0.000 0.264 441 M C 2.319 178.615 176.300 -0.006 0.000 1.063 441 M CA 1.912 57.277 55.300 0.109 0.000 1.119 441 M CB -0.508 32.256 32.600 0.273 0.000 1.377 441 M HN 0.392 nan 8.290 nan 0.000 0.415 442 A N 0.691 123.286 122.820 -0.376 0.000 1.897 442 A HA -0.071 4.250 4.320 0.001 0.000 0.215 442 A C 2.060 179.460 177.584 -0.305 0.000 1.181 442 A CA 1.188 52.755 52.037 -0.784 0.000 0.620 442 A CB -0.748 17.597 19.000 -1.092 0.000 0.821 442 A HN 0.436 nan 8.150 nan 0.000 0.443 443 I N -0.181 120.272 120.570 -0.195 0.000 2.179 443 I HA -0.263 3.908 4.170 0.001 0.000 0.242 443 I C 2.965 179.030 176.117 -0.088 0.000 1.088 443 I CA 1.107 62.357 61.300 -0.084 0.000 1.357 443 I CB -0.416 37.531 38.000 -0.089 0.000 1.051 443 I HN 0.345 nan 8.210 nan 0.000 0.409 444 A N 0.421 123.174 122.820 -0.113 0.000 1.902 444 A HA -0.250 4.071 4.320 0.001 0.000 0.217 444 A C 2.217 179.855 177.584 0.090 0.000 1.181 444 A CA 1.929 53.948 52.037 -0.031 0.000 0.623 444 A CB -0.553 18.556 19.000 0.183 0.000 0.818 444 A HN 0.398 nan 8.150 nan 0.000 0.443 445 E N -1.770 118.500 120.200 0.117 0.000 2.204 445 E HA -0.166 4.185 4.350 0.001 0.000 0.194 445 E C 1.585 178.250 176.600 0.108 0.000 0.989 445 E CA 1.206 57.696 56.400 0.150 0.000 0.824 445 E CB -0.319 29.491 29.700 0.183 0.000 0.756 445 E HN 0.734 nan 8.360 nan 0.000 0.477 446 Y N 0.154 120.405 120.300 -0.081 0.000 2.301 446 Y HA 0.066 4.617 4.550 0.001 0.000 0.295 446 Y C 2.180 178.009 175.900 -0.118 0.000 1.119 446 Y CA 1.583 59.631 58.100 -0.087 0.000 1.162 446 Y CB -0.065 38.329 38.460 -0.110 0.000 1.046 446 Y HN 0.006 nan 8.280 nan 0.000 0.538 447 Q N -0.725 118.894 119.800 -0.301 0.000 2.033 447 Q HA -0.076 4.265 4.340 0.001 0.000 0.196 447 Q C 1.497 177.231 176.000 -0.444 0.000 0.970 447 Q CA 1.696 57.166 55.803 -0.555 0.000 0.828 447 Q CB -0.226 27.978 28.738 -0.890 0.000 0.895 447 Q HN 0.562 nan 8.270 nan 0.000 0.440 448 F N -0.117 119.842 119.950 0.015 0.000 2.765 448 F HA 0.316 4.843 4.527 0.001 0.000 0.302 448 F C 1.051 176.866 175.800 0.024 0.000 1.111 448 F CA -0.004 58.016 58.000 0.033 0.000 1.359 448 F CB 0.723 39.782 39.000 0.097 0.000 1.097 448 F HN 0.216 nan 8.300 nan 0.000 0.577 449 G N 1.112 109.987 108.800 0.124 0.000 2.746 449 G HA2 -0.233 3.727 3.960 0.001 0.000 0.685 449 G HA3 -0.233 3.727 3.960 0.001 0.000 0.685 449 G C -0.682 174.295 174.900 0.129 0.000 1.350 449 G CA -1.137 44.020 45.100 0.095 0.000 0.837 449 G HN 0.186 nan 8.290 nan 0.000 0.564 450 E N 0.420 120.681 120.200 0.102 0.000 2.900 450 E HA 0.348 4.699 4.350 0.001 0.000 0.259 450 E C 1.694 178.361 176.600 0.111 0.000 0.918 450 E CA 2.598 59.061 56.400 0.105 0.000 0.960 450 E CB -0.324 29.424 29.700 0.080 0.000 0.908 450 E HN 2.447 nan 8.360 nan 0.000 0.511 451 G N 3.009 111.883 108.800 0.123 0.000 2.253 451 G HA2 -0.380 3.581 3.960 0.001 0.000 0.251 451 G HA3 -0.380 3.581 3.960 0.001 0.000 0.251 451 G C 1.196 176.184 174.900 0.146 0.000 0.998 451 G CA 0.578 45.746 45.100 0.113 0.000 0.621 451 G HN 1.063 nan 8.290 nan 0.000 0.524 452 A N 1.056 123.995 122.820 0.198 0.000 2.032 452 A HA 0.105 4.426 4.320 0.001 0.000 0.221 452 A C 2.678 180.478 177.584 0.359 0.000 1.165 452 A CA 2.896 55.105 52.037 0.286 0.000 0.645 452 A CB -0.819 18.438 19.000 0.429 0.000 0.807 452 A HN 1.753 nan 8.150 nan 0.000 0.453 453 S N -0.034 115.855 115.700 0.316 0.000 2.399 453 S HA -0.197 4.273 4.470 0.001 0.000 0.231 453 S C 1.814 176.572 174.600 0.264 0.000 1.022 453 S CA 1.136 59.544 58.200 0.347 0.000 0.983 453 S CB -0.491 62.880 63.200 0.285 0.000 0.803 453 S HN 0.646 nan 8.310 nan 0.000 0.480 454 R N 1.338 121.932 120.500 0.156 0.000 2.249 454 R HA 0.086 4.426 4.340 0.001 0.000 0.230 454 R C 2.188 178.491 176.300 0.006 0.000 1.121 454 R CA 1.003 57.148 56.100 0.076 0.000 0.997 454 R CB -0.530 29.799 30.300 0.048 0.000 0.867 454 R HN 0.613 nan 8.270 nan 0.000 0.465 455 A N -0.167 122.626 122.820 -0.045 0.000 2.218 455 A HA 0.081 4.401 4.320 0.001 0.000 0.209 455 A C 0.137 177.314 177.584 -0.678 0.000 1.168 455 A CA 0.348 52.157 52.037 -0.380 0.000 0.804 455 A CB 0.292 18.970 19.000 -0.538 0.000 0.834 455 A HN 0.183 nan 8.150 nan 0.000 0.482 456 F N -0.306 119.692 119.950 0.080 0.000 2.710 456 F HA 0.323 4.851 4.527 0.001 0.000 0.345 456 F C 0.036 175.878 175.800 0.070 0.000 1.362 456 F CA -0.899 57.149 58.000 0.080 0.000 1.175 456 F CB 0.889 39.953 39.000 0.107 0.000 1.561 456 F HN 0.019 nan 8.300 nan 0.000 0.593 457 D N 0.243 120.735 120.400 0.154 0.000 2.943 457 D HA -0.058 4.583 4.640 0.001 0.000 0.282 457 D C 1.279 177.632 176.300 0.088 0.000 1.148 457 D CA 0.778 54.844 54.000 0.110 0.000 1.006 457 D CB 0.037 40.876 40.800 0.064 0.000 1.168 457 D HN 0.390 nan 8.370 nan 0.000 0.450 458 D N 1.396 121.834 120.400 0.063 0.000 2.400 458 D HA 0.168 4.809 4.640 0.001 0.000 0.243 458 D C 0.282 176.621 176.300 0.065 0.000 1.184 458 D CA -0.094 53.937 54.000 0.051 0.000 0.853 458 D CB 0.019 40.837 40.800 0.030 0.000 0.944 458 D HN -0.032 nan 8.370 nan 0.000 0.501 459 A N 0.435 123.316 122.820 0.102 0.000 2.264 459 A HA 0.524 4.844 4.320 0.001 0.000 0.304 459 A C 0.099 177.743 177.584 0.100 0.000 1.100 459 A CA -0.664 51.446 52.037 0.121 0.000 0.839 459 A CB 1.161 20.289 19.000 0.213 0.000 1.121 459 A HN 0.071 nan 8.150 nan 0.000 0.496 460 K N 0.212 120.665 120.400 0.088 0.000 2.259 460 K HA 0.602 4.923 4.320 0.001 0.000 0.252 460 K C -1.572 175.067 176.600 0.065 0.000 0.936 460 K CA -0.586 55.740 56.287 0.066 0.000 0.810 460 K CB 2.213 34.743 32.500 0.050 0.000 1.143 460 K HN 0.383 nan 8.250 nan 0.000 0.427 461 V N 2.915 122.858 119.914 0.049 0.000 2.444 461 V HA 0.171 4.291 4.120 0.001 0.000 0.294 461 V C -0.341 175.763 176.094 0.016 0.000 1.022 461 V CA -0.936 61.385 62.300 0.034 0.000 0.850 461 V CB 1.332 33.172 31.823 0.027 0.000 0.992 461 V HN 0.812 nan 8.190 nan 0.000 0.426 462 E N 5.747 125.955 120.200 0.013 0.000 2.249 462 E HA 0.649 5.000 4.350 0.001 0.000 0.280 462 E C -1.168 175.426 176.600 -0.010 0.000 1.016 462 E CA -0.766 55.637 56.400 0.004 0.000 0.830 462 E CB 1.719 31.425 29.700 0.010 0.000 1.081 462 E HN 0.554 nan 8.360 nan 0.000 0.395 463 L N 3.187 124.399 121.223 -0.018 0.000 2.292 463 L HA 0.206 4.547 4.340 0.001 0.000 0.284 463 L C 0.808 177.666 176.870 -0.021 0.000 1.065 463 L CA -0.730 54.091 54.840 -0.032 0.000 0.806 463 L CB 1.300 43.334 42.059 -0.042 0.000 1.175 463 L HN 0.765 nan 8.230 nan 0.000 0.431 464 S N 2.472 118.159 115.700 -0.022 0.000 2.680 464 S HA -0.016 4.455 4.470 0.001 0.000 0.249 464 S C 1.229 175.821 174.600 -0.014 0.000 1.358 464 S CA 0.029 58.221 58.200 -0.014 0.000 0.963 464 S CB 0.292 63.484 63.200 -0.013 0.000 0.984 464 S HN 0.795 nan 8.310 nan 0.000 0.584 465 K N -0.149 120.245 120.400 -0.010 0.000 2.107 465 K HA -0.187 4.133 4.320 0.001 0.000 0.211 465 K C 1.614 178.207 176.600 -0.012 0.000 1.049 465 K CA 1.848 58.130 56.287 -0.009 0.000 0.927 465 K CB -1.690 30.806 32.500 -0.006 0.000 0.714 465 K HN 0.802 nan 8.250 nan 0.000 0.452 466 T N -2.091 112.453 114.554 -0.015 0.000 4.953 466 T HA 0.259 4.610 4.350 0.001 0.000 0.320 466 T C 1.375 176.058 174.700 -0.029 0.000 1.042 466 T CA 0.047 62.135 62.100 -0.020 0.000 1.089 466 T CB 0.039 68.895 68.868 -0.020 0.000 1.879 466 T HN 0.283 nan 8.240 nan 0.000 0.417 467 G N 0.333 109.108 108.800 -0.040 0.000 4.250 467 G HA2 0.431 4.392 3.960 0.001 0.000 0.295 467 G HA3 0.431 4.392 3.960 0.001 0.000 0.295 467 G C -0.045 174.801 174.900 -0.089 0.000 1.081 467 G CA -0.516 44.549 45.100 -0.059 0.000 0.854 467 G HN 0.358 nan 8.290 nan 0.000 0.524 468 M N 1.223 120.780 119.600 -0.071 0.000 2.209 468 M HA 0.374 4.855 4.480 0.001 0.000 0.355 468 M C -2.747 173.506 176.300 -0.077 0.000 1.171 468 M CA -3.401 51.850 55.300 -0.081 0.000 1.069 468 M CB 1.308 33.881 32.600 -0.044 0.000 1.622 468 M HN -0.166 nan 8.290 nan 0.000 0.459 469 P HA 0.199 nan 4.420 nan 0.000 0.268 469 P C 0.107 177.387 177.300 -0.033 0.000 1.204 469 P CA 0.109 63.165 63.100 -0.074 0.000 0.768 469 P CB 1.072 32.717 31.700 -0.092 0.000 0.842 470 R N 1.558 122.049 120.500 -0.015 0.000 2.667 470 R HA 0.245 4.586 4.340 0.001 0.000 0.102 470 R C 0.127 176.435 176.300 0.013 0.000 1.113 470 R CA -0.414 55.686 56.100 -0.000 0.000 0.925 470 R CB -0.691 29.609 30.300 0.001 0.000 0.791 470 R HN 0.441 nan 8.270 nan 0.000 0.377 471 Q N 2.049 121.862 119.800 0.021 0.000 2.289 471 Q HA 0.201 4.542 4.340 0.001 0.000 0.273 471 Q C -0.959 175.070 176.000 0.048 0.000 1.029 471 Q CA 0.003 55.828 55.803 0.037 0.000 0.896 471 Q CB 0.742 29.500 28.738 0.034 0.000 1.182 471 Q HN 0.120 nan 8.270 nan 0.000 0.385 472 V N 5.119 125.076 119.914 0.072 0.000 2.481 472 V HA 0.469 4.589 4.120 0.001 0.000 0.286 472 V C -0.166 175.998 176.094 0.116 0.000 1.042 472 V CA -0.380 61.981 62.300 0.101 0.000 0.928 472 V CB 1.589 33.496 31.823 0.141 0.000 0.986 472 V HN 0.800 nan 8.190 nan 0.000 0.462 473 K N 2.648 123.109 120.400 0.102 0.000 2.495 473 K HA 0.856 5.176 4.320 0.001 0.000 0.268 473 K C -1.902 174.744 176.600 0.077 0.000 1.008 473 K CA -0.863 55.474 56.287 0.083 0.000 0.882 473 K CB 2.835 35.369 32.500 0.057 0.000 1.443 473 K HN 0.323 nan 8.250 nan 0.000 0.447 474 V N 2.675 122.622 119.914 0.056 0.000 2.610 474 V HA 0.172 4.293 4.120 0.001 0.000 0.298 474 V C -0.715 175.395 176.094 0.027 0.000 1.067 474 V CA -0.976 61.349 62.300 0.041 0.000 0.894 474 V CB 1.402 33.245 31.823 0.033 0.000 1.015 474 V HN 0.883 nan 8.190 nan 0.000 0.432 475 N N 3.703 122.418 118.700 0.024 0.000 2.721 475 N HA -0.220 4.521 4.740 0.001 0.000 0.249 475 N C 1.099 176.619 175.510 0.017 0.000 1.072 475 N CA 1.518 54.579 53.050 0.018 0.000 0.710 475 N CB -0.952 37.542 38.487 0.012 0.000 0.993 475 N HN 1.690 nan 8.380 nan 0.000 0.547 476 G N -0.638 108.175 108.800 0.022 0.000 2.136 476 G HA2 -0.342 3.618 3.960 0.001 0.000 0.242 476 G HA3 -0.342 3.618 3.960 0.001 0.000 0.242 476 G C -0.135 174.778 174.900 0.021 0.000 0.989 476 G CA 0.741 45.853 45.100 0.020 0.000 0.682 476 G HN 0.829 nan 8.290 nan 0.000 0.522 477 K N -0.271 120.145 120.400 0.025 0.000 2.292 477 K HA 0.676 4.997 4.320 0.001 0.000 0.257 477 K C -0.266 176.359 176.600 0.041 0.000 0.940 477 K CA -1.220 55.082 56.287 0.026 0.000 0.811 477 K CB 1.910 34.420 32.500 0.016 0.000 1.120 477 K HN -0.017 nan 8.250 nan 0.000 0.428 478 R N 4.498 125.024 120.500 0.044 0.000 2.291 478 R HA 0.108 4.448 4.340 0.001 0.000 0.333 478 R C 0.759 177.109 176.300 0.084 0.000 1.082 478 R CA 0.066 56.203 56.100 0.063 0.000 0.948 478 R CB -0.043 30.289 30.300 0.053 0.000 1.009 478 R HN 0.844 nan 8.270 nan 0.000 0.460 479 L N 2.014 123.314 121.223 0.128 0.000 2.084 479 L HA 0.138 4.479 4.340 0.001 0.000 0.202 479 L C 1.030 178.058 176.870 0.264 0.000 1.074 479 L CA 1.046 55.998 54.840 0.186 0.000 0.757 479 L CB -0.154 42.070 42.059 0.275 0.000 0.918 479 L HN 0.597 nan 8.230 nan 0.000 0.444 480 A N -1.374 121.601 122.820 0.258 0.000 2.557 480 A HA 0.694 5.014 4.320 0.001 0.000 0.292 480 A C -1.127 176.526 177.584 0.115 0.000 1.139 480 A CA -0.355 51.803 52.037 0.203 0.000 0.665 480 A CB 1.510 20.658 19.000 0.247 0.000 1.285 480 A HN -0.055 nan 8.150 nan 0.000 0.433 481 T N 0.763 115.366 114.554 0.083 0.000 3.143 481 T HA 0.456 4.806 4.350 0.001 0.000 0.312 481 T C -0.905 173.815 174.700 0.033 0.000 0.986 481 T CA -0.380 61.750 62.100 0.050 0.000 1.024 481 T CB 1.169 70.065 68.868 0.047 0.000 1.030 481 T HN 0.821 nan 8.240 nan 0.000 0.448 482 V N 4.911 124.833 119.914 0.014 0.000 2.485 482 V HA 0.144 4.265 4.120 0.001 0.000 0.287 482 V C 1.167 177.271 176.094 0.015 0.000 1.022 482 V CA -0.150 62.155 62.300 0.009 0.000 1.067 482 V CB -0.301 31.523 31.823 0.001 0.000 0.967 482 V HN 0.687 nan 8.190 nan 0.000 0.479 483 R N 3.560 124.071 120.500 0.019 0.000 2.774 483 R HA 0.353 4.694 4.340 0.001 0.000 0.269 483 R C 1.224 177.534 176.300 0.017 0.000 1.068 483 R CA 0.188 56.296 56.100 0.015 0.000 1.180 483 R CB 0.379 30.684 30.300 0.008 0.000 1.077 483 R HN 0.792 nan 8.270 nan 0.000 0.513 484 A N 1.123 123.950 122.820 0.012 0.000 2.095 484 A HA -0.089 4.232 4.320 0.001 0.000 0.212 484 A C 1.215 178.813 177.584 0.023 0.000 1.162 484 A CA 0.839 52.885 52.037 0.016 0.000 0.753 484 A CB -0.004 19.002 19.000 0.009 0.000 0.840 484 A HN 0.830 nan 8.150 nan 0.000 0.468 485 D N -0.127 120.281 120.400 0.012 0.000 2.333 485 D HA -0.055 4.586 4.640 0.001 0.000 0.208 485 D C 0.475 176.792 176.300 0.028 0.000 0.984 485 D CA 1.274 55.281 54.000 0.011 0.000 0.873 485 D CB -0.042 40.746 40.800 -0.020 0.000 0.935 485 D HN 0.482 nan 8.370 nan 0.000 0.521 486 D N -2.269 118.153 120.400 0.038 0.000 2.460 486 D HA 0.133 4.773 4.640 0.001 0.000 0.263 486 D C 1.550 177.924 176.300 0.123 0.000 1.209 486 D CA 0.379 54.426 54.000 0.080 0.000 0.818 486 D CB -0.413 40.382 40.800 -0.009 0.000 1.239 486 D HN 0.182 nan 8.370 nan 0.000 0.530 487 G N 0.945 109.796 108.800 0.085 0.000 2.160 487 G HA2 -0.246 3.714 3.960 0.001 0.000 0.251 487 G HA3 -0.246 3.714 3.960 0.001 0.000 0.251 487 G C -0.133 174.809 174.900 0.071 0.000 1.008 487 G CA 0.679 45.830 45.100 0.086 0.000 0.724 487 G HN 0.419 nan 8.290 nan 0.000 0.514 488 L N -0.737 120.516 121.223 0.050 0.000 2.332 488 L HA 0.679 5.019 4.340 0.001 0.000 0.269 488 L C 0.902 177.773 176.870 0.003 0.000 1.016 488 L CA -1.317 53.534 54.840 0.018 0.000 0.809 488 L CB 1.444 43.515 42.059 0.020 0.000 1.280 488 L HN -0.005 nan 8.230 nan 0.000 0.447 489 L N 0.855 122.065 121.223 -0.022 0.000 2.305 489 L HA 0.303 4.644 4.340 0.001 0.000 0.281 489 L C -0.096 176.862 176.870 0.146 0.000 1.085 489 L CA -0.140 54.731 54.840 0.053 0.000 0.813 489 L CB 1.101 43.203 42.059 0.072 0.000 1.157 489 L HN 0.539 nan 8.230 nan 0.000 0.436 490 T N 4.864 119.490 114.554 0.120 0.000 2.781 490 T HA 0.400 4.751 4.350 0.001 0.000 0.305 490 T C 0.257 175.046 174.700 0.148 0.000 1.001 490 T CA -0.468 61.705 62.100 0.121 0.000 0.950 490 T CB 0.221 69.132 68.868 0.072 0.000 0.955 490 T HN 0.289 nan 8.240 nan 0.000 0.471 491 L N 2.769 124.100 121.223 0.181 0.000 2.456 491 L HA 0.405 4.745 4.340 0.001 0.000 0.272 491 L C 1.267 178.200 176.870 0.106 0.000 1.189 491 L CA -0.319 54.618 54.840 0.161 0.000 0.846 491 L CB 0.291 42.416 42.059 0.109 0.000 1.111 491 L HN 0.624 nan 8.230 nan 0.000 0.475 492 G N 1.786 110.649 108.800 0.106 0.000 2.389 492 G HA2 0.271 4.231 3.960 0.001 0.000 0.317 492 G HA3 0.271 4.231 3.960 0.001 0.000 0.317 492 G C 0.883 175.811 174.900 0.046 0.000 1.137 492 G CA -0.636 44.507 45.100 0.072 0.000 0.870 492 G HN 0.622 nan 8.290 nan 0.000 0.496 493 I N 0.394 120.982 120.570 0.029 0.000 2.381 493 I HA -0.165 4.005 4.170 0.001 0.000 0.255 493 I C 2.208 178.325 176.117 -0.001 0.000 1.140 493 I CA 1.658 62.965 61.300 0.011 0.000 1.404 493 I CB -0.227 37.777 38.000 0.006 0.000 1.075 493 I HN 0.722 nan 8.210 nan 0.000 0.433 494 E N 0.339 120.543 120.200 0.007 0.000 2.122 494 E HA -0.051 4.300 4.350 0.001 0.000 0.190 494 E C 2.130 178.714 176.600 -0.025 0.000 0.977 494 E CA 1.328 57.724 56.400 -0.008 0.000 0.820 494 E CB -0.581 29.122 29.700 0.004 0.000 0.770 494 E HN 0.412 nan 8.360 nan 0.000 0.462 495 G N 0.250 109.052 108.800 0.004 0.000 2.422 495 G HA2 -0.165 3.795 3.960 0.001 0.000 0.218 495 G HA3 -0.165 3.795 3.960 0.001 0.000 0.218 495 G C 1.667 176.520 174.900 -0.079 0.000 1.140 495 G CA 0.792 45.876 45.100 -0.027 0.000 0.775 495 G HN 0.413 nan 8.290 nan 0.000 0.545 496 A N 1.064 123.861 122.820 -0.038 0.000 1.902 496 A HA 0.001 4.321 4.320 0.001 0.000 0.217 496 A C 2.289 179.856 177.584 -0.027 0.000 1.181 496 A CA 1.899 53.907 52.037 -0.047 0.000 0.623 496 A CB -0.348 18.643 19.000 -0.016 0.000 0.818 496 A HN 0.364 nan 8.150 nan 0.000 0.443 497 K N -0.516 119.862 120.400 -0.036 0.000 2.032 497 K HA -0.159 4.162 4.320 0.001 0.000 0.209 497 K C 2.283 178.872 176.600 -0.018 0.000 1.048 497 K CA 1.642 57.907 56.287 -0.036 0.000 0.927 497 K CB -0.225 32.242 32.500 -0.055 0.000 0.712 497 K HN 0.415 nan 8.250 nan 0.000 0.441 498 R N 0.303 120.756 120.500 -0.078 0.000 2.092 498 R HA -0.072 4.269 4.340 0.001 0.000 0.231 498 R C 2.219 178.455 176.300 -0.107 0.000 1.119 498 R CA 0.723 56.757 56.100 -0.111 0.000 0.970 498 R CB -0.299 29.874 30.300 -0.212 0.000 0.864 498 R HN 0.067 nan 8.270 nan 0.000 0.440 499 L N 0.567 121.709 121.223 -0.135 0.000 2.056 499 L HA -0.180 4.161 4.340 0.001 0.000 0.207 499 L C 2.472 179.316 176.870 -0.043 0.000 1.078 499 L CA 1.742 56.505 54.840 -0.130 0.000 0.749 499 L CB -1.162 40.764 42.059 -0.221 0.000 0.901 499 L HN 0.280 nan 8.230 nan 0.000 0.433 500 H N 1.023 120.044 119.070 -0.082 0.000 2.353 500 H HA -0.187 4.370 4.556 0.001 0.000 0.298 500 H C 2.166 177.488 175.328 -0.011 0.000 1.103 500 H CA 2.199 58.228 56.048 -0.032 0.000 1.293 500 H CB 0.275 30.026 29.762 -0.020 0.000 1.372 500 H HN 0.420 nan 8.280 nan 0.000 0.501 501 R N -0.205 120.376 120.500 0.136 0.000 2.161 501 R HA 0.037 4.378 4.340 0.001 0.000 0.213 501 R C 2.326 178.633 176.300 0.013 0.000 1.055 501 R CA 1.037 57.188 56.100 0.083 0.000 0.996 501 R CB -0.374 29.974 30.300 0.080 0.000 0.901 501 R HN 0.063 nan 8.270 nan 0.000 0.456 502 V N 2.071 121.979 119.914 -0.010 0.000 2.488 502 V HA 0.002 4.123 4.120 0.001 0.000 0.246 502 V C 1.316 177.406 176.094 -0.006 0.000 1.046 502 V CA 1.028 63.321 62.300 -0.012 0.000 1.053 502 V CB -0.210 31.597 31.823 -0.026 0.000 0.679 502 V HN 0.175 nan 8.190 nan 0.000 0.458 503 L N 1.286 122.494 121.223 -0.025 0.000 2.295 503 L HA 0.399 4.740 4.340 0.001 0.000 0.285 503 L C -2.517 174.327 176.870 -0.044 0.000 1.035 503 L CA -1.824 53.003 54.840 -0.021 0.000 0.806 503 L CB 1.166 43.211 42.059 -0.022 0.000 1.214 503 L HN 0.063 nan 8.230 nan 0.000 0.426 504 P HA 0.009 nan 4.420 nan 0.000 0.271 504 P C -0.783 176.531 177.300 0.024 0.000 1.216 504 P CA -0.213 62.896 63.100 0.014 0.000 0.776 504 P CB 0.300 32.021 31.700 0.035 0.000 0.881 505 Y N 6.291 126.549 120.300 -0.069 0.000 2.805 505 Y HA 0.041 4.591 4.550 0.001 0.000 0.337 505 Y C -1.077 174.833 175.900 0.016 0.000 1.252 505 Y CA -0.623 57.454 58.100 -0.038 0.000 1.515 505 Y CB 0.229 38.672 38.460 -0.029 0.000 1.305 505 Y HN 0.412 nan 8.280 nan 0.000 0.600 506 P HA 0.100 nan 4.420 nan 0.000 0.263 506 P C -0.653 176.437 177.300 -0.350 0.000 1.448 506 P CA 0.061 62.633 63.100 -0.880 0.000 0.983 506 P CB 0.203 31.468 31.700 -0.725 0.000 1.481 507 R N 1.371 121.761 120.500 -0.183 0.000 2.501 507 R HA 0.037 4.378 4.340 0.001 0.000 0.319 507 R C 1.092 177.334 176.300 -0.096 0.000 0.913 507 R CA 0.686 56.725 56.100 -0.101 0.000 1.104 507 R CB -0.309 29.963 30.300 -0.047 0.000 0.901 507 R HN 0.258 nan 8.270 nan 0.000 0.407 508 M N -0.195 119.361 119.600 -0.074 0.000 2.931 508 M HA -0.282 4.199 4.480 0.001 0.000 0.190 508 M C -0.262 176.005 176.300 -0.055 0.000 0.626 508 M CA 1.276 56.547 55.300 -0.048 0.000 0.722 508 M CB -0.913 31.664 32.600 -0.039 0.000 2.597 508 M HN 0.454 nan 8.290 nan 0.000 0.299 509 R N 1.282 121.725 120.500 -0.094 0.000 2.410 509 R HA 0.565 4.905 4.340 0.001 0.000 0.288 509 R C -0.099 176.171 176.300 -0.050 0.000 1.051 509 R CA -0.138 55.935 56.100 -0.046 0.000 1.021 509 R CB 0.981 31.253 30.300 -0.048 0.000 1.032 509 R HN 0.192 nan 8.270 nan 0.000 0.481 510 V N 0.139 120.064 119.914 0.018 0.000 2.409 510 V HA 0.521 4.641 4.120 0.001 0.000 0.290 510 V C -0.482 175.672 176.094 0.100 0.000 1.017 510 V CA -0.987 61.322 62.300 0.016 0.000 0.841 510 V CB 1.791 33.622 31.823 0.013 0.000 1.003 510 V HN 0.366 nan 8.190 nan 0.000 0.426 511 V N 6.445 126.450 119.914 0.152 0.000 2.406 511 V HA 0.543 4.664 4.120 0.001 0.000 0.272 511 V C 0.628 176.829 176.094 0.179 0.000 1.043 511 V CA 0.003 62.431 62.300 0.212 0.000 0.915 511 V CB 1.201 33.220 31.823 0.326 0.000 0.988 511 V HN 1.009 nan 8.190 nan 0.000 0.466 512 V N 2.800 122.809 119.914 0.158 0.000 3.302 512 V HA 0.675 4.795 4.120 0.001 0.000 0.316 512 V C 0.403 176.588 176.094 0.152 0.000 1.111 512 V CA -1.071 61.326 62.300 0.161 0.000 1.029 512 V CB 1.496 33.405 31.823 0.143 0.000 1.170 512 V HN 0.668 nan 8.190 nan 0.000 0.452 513 N N 0.284 119.090 118.700 0.176 0.000 2.288 513 N HA 0.191 4.932 4.740 0.001 0.000 0.237 513 N C 0.609 176.180 175.510 0.101 0.000 1.311 513 N CA -0.058 53.087 53.050 0.157 0.000 0.909 513 N CB 0.564 39.199 38.487 0.246 0.000 1.167 513 N HN 0.678 nan 8.380 nan 0.000 0.476 514 K N 0.536 120.988 120.400 0.087 0.000 2.243 514 K HA 0.018 4.338 4.320 0.001 0.000 0.201 514 K C 1.368 178.001 176.600 0.055 0.000 1.051 514 K CA 0.515 56.840 56.287 0.063 0.000 0.970 514 K CB 0.150 32.683 32.500 0.055 0.000 0.755 514 K HN 0.545 nan 8.250 nan 0.000 0.465 515 E N -0.105 120.128 120.200 0.055 0.000 2.358 515 E HA -0.031 4.320 4.350 0.001 0.000 0.195 515 E C 1.107 177.626 176.600 -0.135 0.000 1.010 515 E CA 0.626 57.033 56.400 0.011 0.000 0.856 515 E CB 0.218 29.953 29.700 0.058 0.000 0.795 515 E HN 0.312 nan 8.360 nan 0.000 0.504 516 A N 0.166 122.899 122.820 -0.144 0.000 2.229 516 A HA 0.079 4.399 4.320 0.001 0.000 0.211 516 A C 1.719 179.305 177.584 0.004 0.000 1.193 516 A CA -0.026 51.848 52.037 -0.273 0.000 0.879 516 A CB 0.054 18.848 19.000 -0.343 0.000 0.911 516 A HN 0.216 nan 8.150 nan 0.000 0.492 517 E N 0.643 120.871 120.200 0.047 0.000 2.070 517 E HA -0.191 4.160 4.350 0.001 0.000 0.197 517 E C -0.797 175.848 176.600 0.076 0.000 1.004 517 E CA 1.903 58.342 56.400 0.065 0.000 0.805 517 E CB -0.545 29.188 29.700 0.055 0.000 0.744 517 E HN 0.427 nan 8.360 nan 0.000 0.451 518 P HA -0.148 nan 4.420 nan 0.000 0.214 518 P C 0.900 178.203 177.300 0.005 0.000 1.163 518 P CA 1.277 64.395 63.100 0.030 0.000 0.883 518 P CB -0.143 31.563 31.700 0.010 0.000 0.788 519 F N 0.005 119.904 119.950 -0.085 0.000 2.161 519 F HA -0.190 4.338 4.527 0.001 0.000 0.300 519 F C 2.421 178.195 175.800 -0.043 0.000 1.089 519 F CA 1.454 59.406 58.000 -0.079 0.000 1.282 519 F CB -1.565 37.353 39.000 -0.136 0.000 1.010 519 F HN -0.105 nan 8.300 nan 0.000 0.485 520 A N 0.175 123.087 122.820 0.153 0.000 1.877 520 A HA -0.183 4.138 4.320 0.001 0.000 0.216 520 A C 2.368 179.983 177.584 0.052 0.000 1.186 520 A CA 1.486 53.579 52.037 0.094 0.000 0.620 520 A CB -0.690 18.357 19.000 0.079 0.000 0.822 520 A HN 0.269 nan 8.150 nan 0.000 0.443 521 R N -0.476 120.041 120.500 0.029 0.000 2.117 521 R HA -0.178 4.162 4.340 0.001 0.000 0.243 521 R C 2.029 178.322 176.300 -0.011 0.000 1.143 521 R CA 1.883 57.985 56.100 0.002 0.000 0.968 521 R CB -0.265 30.027 30.300 -0.013 0.000 0.863 521 R HN 0.397 nan 8.270 nan 0.000 0.444 522 K N -1.303 119.081 120.400 -0.027 0.000 2.217 522 K HA -0.009 4.312 4.320 0.001 0.000 0.202 522 K C 1.088 177.684 176.600 -0.006 0.000 1.051 522 K CA 1.078 57.343 56.287 -0.038 0.000 0.952 522 K CB 0.245 32.694 32.500 -0.086 0.000 0.736 522 K HN 0.441 nan 8.250 nan 0.000 0.453 523 G N 0.129 108.941 108.800 0.021 0.000 2.148 523 G HA2 -0.159 3.801 3.960 0.001 0.000 0.157 523 G HA3 -0.159 3.801 3.960 0.001 0.000 0.157 523 G C -0.538 174.400 174.900 0.063 0.000 1.012 523 G CA -0.588 44.534 45.100 0.037 0.000 0.677 523 G HN -0.037 nan 8.290 nan 0.000 0.506 524 K N 1.418 121.874 120.400 0.093 0.000 2.185 524 K HA 0.345 4.666 4.320 0.001 0.000 0.271 524 K C 0.289 176.987 176.600 0.164 0.000 1.013 524 K CA -0.594 55.780 56.287 0.145 0.000 0.943 524 K CB 0.723 33.355 32.500 0.220 0.000 0.998 524 K HN 0.225 nan 8.250 nan 0.000 0.468 525 D N 0.949 121.458 120.400 0.183 0.000 2.478 525 D HA -0.024 4.616 4.640 0.001 0.000 0.234 525 D C -0.129 176.315 176.300 0.239 0.000 1.154 525 D CA 0.117 54.212 54.000 0.157 0.000 0.874 525 D CB 0.636 41.496 40.800 0.099 0.000 1.198 525 D HN -0.000 nan 8.370 nan 0.000 0.455 526 V N 3.061 123.057 119.914 0.135 0.000 2.383 526 V HA 0.191 4.312 4.120 0.001 0.000 0.275 526 V C 0.061 176.254 176.094 0.164 0.000 1.036 526 V CA -0.571 61.845 62.300 0.194 0.000 0.889 526 V CB 0.246 32.141 31.823 0.119 0.000 0.985 526 V HN 0.258 nan 8.190 nan 0.000 0.459 527 F N 2.674 122.726 119.950 0.170 0.000 2.385 527 F HA 0.544 5.072 4.527 0.001 0.000 0.336 527 F C 1.404 177.297 175.800 0.155 0.000 1.100 527 F CA -0.146 57.962 58.000 0.179 0.000 1.116 527 F CB 1.476 40.628 39.000 0.253 0.000 1.166 527 F HN 0.569 nan 8.300 nan 0.000 0.511 528 A N 3.494 126.406 122.820 0.153 0.000 1.903 528 A HA -0.286 4.035 4.320 0.001 0.000 0.219 528 A C 2.095 179.708 177.584 0.048 0.000 1.191 528 A CA 2.306 54.401 52.037 0.096 0.000 0.638 528 A CB -0.956 18.105 19.000 0.102 0.000 0.823 528 A HN 0.853 nan 8.150 nan 0.000 0.451 529 K N -1.606 118.744 120.400 -0.083 0.000 2.585 529 K HA -0.018 4.303 4.320 0.001 0.000 0.194 529 K C 0.688 177.021 176.600 -0.445 0.000 1.037 529 K CA 1.442 57.535 56.287 -0.323 0.000 0.964 529 K CB -0.406 31.773 32.500 -0.535 0.000 0.787 529 K HN 0.481 nan 8.250 nan 0.000 0.488 530 F N 0.650 120.626 119.950 0.044 0.000 2.682 530 F HA 0.198 4.726 4.527 0.001 0.000 0.308 530 F C 0.199 176.030 175.800 0.053 0.000 1.093 530 F CA -0.870 57.149 58.000 0.031 0.000 1.244 530 F CB 0.995 40.007 39.000 0.018 0.000 1.052 530 F HN -0.251 nan 8.300 nan 0.000 0.573 531 V N 3.858 123.885 119.914 0.188 0.000 2.432 531 V HA 0.068 4.189 4.120 0.001 0.000 0.271 531 V C 1.232 177.402 176.094 0.127 0.000 1.046 531 V CA -0.213 62.176 62.300 0.147 0.000 0.945 531 V CB 0.842 32.726 31.823 0.102 0.000 0.992 531 V HN 0.301 nan 8.190 nan 0.000 0.471 532 I N 1.738 122.403 120.570 0.158 0.000 3.265 532 I HA 0.423 4.594 4.170 0.001 0.000 0.282 532 I C 0.303 176.579 176.117 0.266 0.000 1.207 532 I CA 0.819 62.224 61.300 0.173 0.000 1.449 532 I CB 0.395 38.493 38.000 0.164 0.000 1.121 532 I HN 0.479 nan 8.210 nan 0.000 0.442 533 F N 1.553 121.551 119.950 0.081 0.000 2.678 533 F HA 0.768 5.296 4.527 0.001 0.000 0.308 533 F C -1.680 174.152 175.800 0.054 0.000 1.118 533 F CA -0.709 57.334 58.000 0.072 0.000 0.959 533 F CB 1.829 40.886 39.000 0.095 0.000 1.305 533 F HN 0.033 nan 8.300 nan 0.000 0.443 534 A N 3.097 125.237 122.820 -1.135 0.000 2.566 534 A HA 0.497 4.817 4.320 0.001 0.000 0.297 534 A C -1.784 175.220 177.584 -0.967 0.000 1.059 534 A CA -0.704 50.889 52.037 -0.739 0.000 0.691 534 A CB 1.162 19.960 19.000 -0.336 0.000 1.282 534 A HN 0.774 nan 8.150 nan 0.000 0.401 535 D N 2.450 122.532 120.400 -0.531 0.000 2.531 535 D HA 0.182 4.822 4.640 0.001 0.000 0.239 535 D C -1.379 174.758 176.300 -0.271 0.000 1.144 535 D CA -0.755 53.044 54.000 -0.335 0.000 0.869 535 D CB 0.921 41.603 40.800 -0.196 0.000 1.160 535 D HN 0.135 nan 8.370 nan 0.000 0.484 536 P HA 0.011 nan 4.420 nan 0.000 0.220 536 P C 1.277 178.504 177.300 -0.122 0.000 1.148 536 P CA 0.934 63.950 63.100 -0.140 0.000 0.803 536 P CB 0.139 31.799 31.700 -0.067 0.000 0.782 537 G N -0.492 108.247 108.800 -0.102 0.000 2.559 537 G HA2 -0.094 3.866 3.960 0.001 0.000 0.216 537 G HA3 -0.094 3.866 3.960 0.001 0.000 0.216 537 G C 0.648 175.493 174.900 -0.091 0.000 1.126 537 G CA -0.109 44.939 45.100 -0.086 0.000 0.778 537 G HN 0.253 nan 8.290 nan 0.000 0.543 538 I N 1.357 121.866 120.570 -0.102 0.000 2.648 538 I HA 0.155 4.326 4.170 0.001 0.000 0.284 538 I C 0.278 176.332 176.117 -0.106 0.000 1.153 538 I CA -0.064 61.182 61.300 -0.089 0.000 1.426 538 I CB 0.644 38.585 38.000 -0.097 0.000 1.381 538 I HN -0.005 nan 8.210 nan 0.000 0.571 539 R N 6.248 126.691 120.500 -0.095 0.000 2.854 539 R HA 0.483 4.824 4.340 0.001 0.000 0.271 539 R C -2.583 173.629 176.300 -0.146 0.000 0.996 539 R CA -2.531 53.498 56.100 -0.118 0.000 0.961 539 R CB 0.891 31.132 30.300 -0.098 0.000 1.182 539 R HN 0.187 nan 8.270 nan 0.000 0.479 540 P HA -0.019 nan 4.420 nan 0.000 0.262 540 P C -0.716 176.321 177.300 -0.438 0.000 1.182 540 P CA 0.693 63.499 63.100 -0.489 0.000 0.761 540 P CB -0.029 31.257 31.700 -0.691 0.000 0.795 541 Y N -1.468 118.802 120.300 -0.051 0.000 4.879 541 Y HA -0.258 4.292 4.550 0.001 0.000 0.247 541 Y C 0.808 176.694 175.900 -0.023 0.000 0.985 541 Y CA -0.240 57.833 58.100 -0.046 0.000 2.000 541 Y CB -1.738 36.683 38.460 -0.066 0.000 1.519 541 Y HN 0.380 nan 8.280 nan 0.000 0.613 542 D N 1.814 122.263 120.400 0.082 0.000 2.358 542 D HA 0.118 4.759 4.640 0.001 0.000 0.244 542 D C 0.454 176.828 176.300 0.123 0.000 1.163 542 D CA 0.121 54.174 54.000 0.089 0.000 0.945 542 D CB 0.626 41.457 40.800 0.052 0.000 1.152 542 D HN 0.120 nan 8.370 nan 0.000 0.451 543 E N 0.302 120.624 120.200 0.203 0.000 2.259 543 E HA 0.317 4.667 4.350 0.001 0.000 0.281 543 E C -0.518 176.159 176.600 0.129 0.000 1.027 543 E CA -0.437 56.084 56.400 0.202 0.000 0.838 543 E CB 1.674 31.590 29.700 0.359 0.000 1.066 543 E HN 0.054 nan 8.360 nan 0.000 0.401 544 V N 3.430 123.384 119.914 0.067 0.000 2.914 544 V HA 0.366 4.487 4.120 0.001 0.000 0.314 544 V C -0.151 175.957 176.094 0.023 0.000 1.084 544 V CA -0.853 61.465 62.300 0.031 0.000 0.963 544 V CB 2.009 33.842 31.823 0.018 0.000 1.025 544 V HN 0.486 nan 8.190 nan 0.000 0.432 545 L N 3.514 124.750 121.223 0.022 0.000 2.272 545 L HA 0.451 4.792 4.340 0.001 0.000 0.284 545 L C -0.418 176.500 176.870 0.079 0.000 1.045 545 L CA -0.627 54.247 54.840 0.056 0.000 0.842 545 L CB 1.371 43.482 42.059 0.086 0.000 1.224 545 L HN 0.370 nan 8.230 nan 0.000 0.430 546 V N 4.463 124.421 119.914 0.073 0.000 2.521 546 V HA 0.240 4.361 4.120 0.001 0.000 0.286 546 V C 0.287 176.444 176.094 0.106 0.000 1.034 546 V CA -0.041 62.308 62.300 0.082 0.000 1.045 546 V CB 1.576 33.440 31.823 0.069 0.000 0.974 546 V HN 0.501 nan 8.190 nan 0.000 0.480 547 V N 4.637 124.631 119.914 0.133 0.000 3.159 547 V HA 0.613 4.734 4.120 0.001 0.000 0.308 547 V C -0.657 175.529 176.094 0.154 0.000 1.190 547 V CA -0.800 61.597 62.300 0.161 0.000 1.037 547 V CB 2.737 34.712 31.823 0.253 0.000 1.060 547 V HN 1.065 nan 8.190 nan 0.000 0.437 548 N N 1.629 120.409 118.700 0.133 0.000 2.538 548 N HA 0.307 5.048 4.740 0.001 0.000 0.292 548 N C 0.532 176.116 175.510 0.123 0.000 1.262 548 N CA -0.324 52.794 53.050 0.114 0.000 0.976 548 N CB 0.292 38.824 38.487 0.076 0.000 1.161 548 N HN 0.641 nan 8.380 nan 0.000 0.598 549 E N -1.093 119.162 120.200 0.091 0.000 2.267 549 E HA -0.107 4.244 4.350 0.001 0.000 0.197 549 E C 0.201 176.799 176.600 -0.003 0.000 0.998 549 E CA 0.740 57.175 56.400 0.059 0.000 0.830 549 E CB -0.157 29.567 29.700 0.038 0.000 0.751 549 E HN 0.446 nan 8.360 nan 0.000 0.491 550 N N 1.039 119.746 118.700 0.011 0.000 2.322 550 N HA -0.062 4.678 4.740 0.001 0.000 0.194 550 N C -0.376 175.137 175.510 0.005 0.000 1.126 550 N CA 0.320 53.359 53.050 -0.018 0.000 0.845 550 N CB 0.507 38.992 38.487 -0.003 0.000 0.976 550 N HN 0.035 nan 8.380 nan 0.000 0.475 551 D N 1.272 121.711 120.400 0.065 0.000 2.800 551 D HA -0.172 4.468 4.640 0.001 0.000 0.232 551 D C -0.793 175.667 176.300 0.267 0.000 1.137 551 D CA 0.745 54.867 54.000 0.203 0.000 0.718 551 D CB -1.333 39.544 40.800 0.128 0.000 1.084 551 D HN 0.382 nan 8.370 nan 0.000 0.432 552 E N 0.122 120.401 120.200 0.131 0.000 2.146 552 E HA 0.321 4.672 4.350 0.001 0.000 0.282 552 E C 0.022 176.611 176.600 -0.017 0.000 0.989 552 E CA -1.095 55.316 56.400 0.019 0.000 0.799 552 E CB 1.010 30.712 29.700 0.004 0.000 1.088 552 E HN 0.185 nan 8.360 nan 0.000 0.397 553 L N 4.998 126.093 121.223 -0.214 0.000 2.584 553 L HA -0.056 4.285 4.340 0.001 0.000 0.272 553 L C 0.010 176.845 176.870 -0.059 0.000 1.195 553 L CA 1.022 55.766 54.840 -0.160 0.000 0.920 553 L CB 0.191 42.057 42.059 -0.322 0.000 1.173 553 L HN 0.746 nan 8.230 nan 0.000 0.489 554 L N 4.877 126.101 121.223 0.002 0.000 2.537 554 L HA 0.554 4.894 4.340 0.001 0.000 0.224 554 L C 0.679 177.558 176.870 0.014 0.000 1.065 554 L CA 0.473 55.320 54.840 0.013 0.000 0.860 554 L CB -0.120 41.964 42.059 0.041 0.000 1.086 554 L HN 0.840 nan 8.230 nan 0.000 0.482 555 A N -0.940 121.892 122.820 0.021 0.000 2.361 555 A HA 0.624 4.945 4.320 0.001 0.000 0.297 555 A C -1.123 176.478 177.584 0.029 0.000 1.036 555 A CA -0.454 51.596 52.037 0.022 0.000 0.589 555 A CB 0.578 19.598 19.000 0.033 0.000 1.418 555 A HN -0.110 nan 8.150 nan 0.000 0.539 556 T N -0.683 113.889 114.554 0.029 0.000 2.906 556 T HA 0.889 5.239 4.350 0.001 0.000 0.295 556 T C 0.138 174.861 174.700 0.038 0.000 1.075 556 T CA -0.016 62.103 62.100 0.032 0.000 1.005 556 T CB 1.898 70.782 68.868 0.027 0.000 1.136 556 T HN 2.259 nan 8.240 nan 0.000 0.498 557 G N 0.193 109.019 108.800 0.042 0.000 2.427 557 G HA2 0.544 4.505 3.960 0.001 0.000 0.306 557 G HA3 0.544 4.505 3.960 0.001 0.000 0.306 557 G C -2.168 172.764 174.900 0.053 0.000 1.280 557 G CA -0.679 44.447 45.100 0.044 0.000 0.837 557 G HN 0.746 nan 8.290 nan 0.000 0.482 558 Q N -0.240 119.590 119.800 0.050 0.000 2.340 558 Q HA 0.676 5.017 4.340 0.001 0.000 0.268 558 Q C -0.145 175.884 176.000 0.048 0.000 1.031 558 Q CA -0.734 55.109 55.803 0.067 0.000 0.804 558 Q CB 1.910 30.696 28.738 0.080 0.000 1.286 558 Q HN 1.044 nan 8.270 nan 0.000 0.448 559 A N 3.967 126.808 122.820 0.035 0.000 2.371 559 A HA 0.335 4.656 4.320 0.001 0.000 0.257 559 A C 0.235 177.788 177.584 -0.051 0.000 1.089 559 A CA -0.282 51.739 52.037 -0.026 0.000 0.794 559 A CB 0.288 19.253 19.000 -0.058 0.000 1.029 559 A HN 0.964 nan 8.150 nan 0.000 0.488 560 L N 0.779 121.928 121.223 -0.122 0.000 2.609 560 L HA 0.271 4.612 4.340 0.001 0.000 0.230 560 L C -0.242 176.434 176.870 -0.324 0.000 1.087 560 L CA 0.351 55.082 54.840 -0.181 0.000 0.874 560 L CB -0.279 41.699 42.059 -0.135 0.000 1.114 560 L HN 0.550 nan 8.230 nan 0.000 0.488 561 L N -1.463 119.602 121.223 -0.262 0.000 2.303 561 L HA 0.465 4.806 4.340 0.001 0.000 0.256 561 L C 0.248 177.018 176.870 -0.166 0.000 1.034 561 L CA -0.732 53.963 54.840 -0.241 0.000 0.832 561 L CB 1.988 43.901 42.059 -0.245 0.000 1.403 561 L HN -0.083 nan 8.230 nan 0.000 0.419 562 S N -0.762 114.882 115.700 -0.093 0.000 2.632 562 S HA 0.279 4.749 4.470 0.001 0.000 0.267 562 S C 1.107 175.667 174.600 -0.066 0.000 1.276 562 S CA -0.108 58.047 58.200 -0.075 0.000 0.998 562 S CB 1.312 64.493 63.200 -0.031 0.000 0.953 562 S HN 0.811 nan 8.310 nan 0.000 0.547 563 G N 1.079 109.818 108.800 -0.102 0.000 2.476 563 G HA2 -0.288 3.672 3.960 0.001 0.000 0.218 563 G HA3 -0.288 3.672 3.960 0.001 0.000 0.218 563 G C 1.426 176.266 174.900 -0.101 0.000 1.164 563 G CA 0.990 46.008 45.100 -0.137 0.000 0.768 563 G HN 0.840 nan 8.290 nan 0.000 0.560 564 R N 0.649 121.118 120.500 -0.052 0.000 2.083 564 R HA -0.104 4.237 4.340 0.001 0.000 0.237 564 R C 2.467 178.832 176.300 0.108 0.000 1.137 564 R CA 1.903 58.017 56.100 0.023 0.000 0.951 564 R CB -0.356 29.982 30.300 0.064 0.000 0.851 564 R HN 0.503 nan 8.270 nan 0.000 0.434 565 E N 0.117 120.416 120.200 0.166 0.000 2.110 565 E HA -0.201 4.149 4.350 0.001 0.000 0.193 565 E C 2.150 178.917 176.600 0.278 0.000 0.988 565 E CA 1.595 58.176 56.400 0.300 0.000 0.804 565 E CB -0.114 29.742 29.700 0.261 0.000 0.745 565 E HN 0.422 nan 8.360 nan 0.000 0.458 566 M N 0.365 120.021 119.600 0.094 0.000 2.144 566 M HA -0.207 4.274 4.480 0.001 0.000 0.260 566 M C 2.230 178.589 176.300 0.097 0.000 1.067 566 M CA 1.406 56.740 55.300 0.057 0.000 1.095 566 M CB -0.344 32.245 32.600 -0.018 0.000 1.365 566 M HN 0.160 nan 8.290 nan 0.000 0.406 567 I N -0.378 120.239 120.570 0.078 0.000 2.193 567 I HA -0.209 3.962 4.170 0.001 0.000 0.240 567 I C 2.418 178.594 176.117 0.099 0.000 1.084 567 I CA 1.350 62.697 61.300 0.079 0.000 1.365 567 I CB -0.603 37.434 38.000 0.063 0.000 1.064 567 I HN 0.221 nan 8.210 nan 0.000 0.410 568 V N -1.818 118.166 119.914 0.117 0.000 2.667 568 V HA -0.054 4.067 4.120 0.001 0.000 0.252 568 V C 1.066 177.178 176.094 0.031 0.000 1.065 568 V CA 0.489 62.824 62.300 0.059 0.000 1.083 568 V CB -1.063 30.773 31.823 0.021 0.000 0.692 568 V HN 0.010 nan 8.190 nan 0.000 0.468 569 F N 1.670 121.646 119.950 0.043 0.000 2.529 569 F HA 0.408 4.936 4.527 0.001 0.000 0.365 569 F C 1.391 177.186 175.800 -0.008 0.000 1.102 569 F CA 0.314 58.349 58.000 0.059 0.000 1.271 569 F CB 0.926 39.959 39.000 0.055 0.000 1.120 569 F HN 0.063 nan 8.300 nan 0.000 0.579 570 Q N 3.226 123.092 119.800 0.110 0.000 2.171 570 Q HA 0.176 4.516 4.340 0.001 0.000 0.218 570 Q C -1.279 174.465 176.000 -0.428 0.000 0.822 570 Q CA 0.126 55.796 55.803 -0.221 0.000 0.987 570 Q CB 0.586 29.081 28.738 -0.405 0.000 1.144 570 Q HN 0.600 nan 8.270 nan 0.000 0.494 571 Y N -0.642 119.773 120.300 0.191 0.000 2.524 571 Y HA 0.587 5.137 4.550 0.001 0.000 0.347 571 Y C 0.859 176.838 175.900 0.131 0.000 1.005 571 Y CA -0.636 57.563 58.100 0.165 0.000 1.025 571 Y CB 1.923 40.477 38.460 0.156 0.000 1.275 571 Y HN 0.152 nan 8.280 nan 0.000 0.460 572 G N 1.760 110.713 108.800 0.253 0.000 2.781 572 G HA2 -0.163 3.798 3.960 0.001 0.000 0.683 572 G HA3 -0.163 3.798 3.960 0.001 0.000 0.683 572 G C -1.057 173.718 174.900 -0.207 0.000 1.390 572 G CA -1.154 43.958 45.100 0.021 0.000 0.850 572 G HN 0.669 nan 8.290 nan 0.000 0.557 573 R N 0.094 120.317 120.500 -0.462 0.000 2.441 573 R HA 0.552 4.893 4.340 0.001 0.000 0.284 573 R C 1.324 177.429 176.300 -0.326 0.000 1.070 573 R CA 0.271 55.987 56.100 -0.639 0.000 1.047 573 R CB 1.174 31.099 30.300 -0.624 0.000 1.016 573 R HN 0.954 nan 8.270 nan 0.000 0.477 574 A N 2.654 125.336 122.820 -0.231 0.000 2.013 574 A HA 0.197 4.518 4.320 0.001 0.000 0.204 574 A C 0.217 177.735 177.584 -0.109 0.000 1.262 574 A CA 0.373 52.327 52.037 -0.139 0.000 0.800 574 A CB 0.773 19.742 19.000 -0.052 0.000 0.909 574 A HN 0.366 nan 8.150 nan 0.000 0.472 575 V N 0.562 120.424 119.914 -0.088 0.000 2.656 575 V HA 0.334 4.455 4.120 0.001 0.000 0.307 575 V C -0.476 175.591 176.094 -0.045 0.000 1.051 575 V CA -0.846 61.428 62.300 -0.043 0.000 0.893 575 V CB 1.811 33.635 31.823 0.001 0.000 0.999 575 V HN 0.392 nan 8.190 nan 0.000 0.426 576 K N 3.947 124.335 120.400 -0.021 0.000 2.257 576 K HA 0.471 4.792 4.320 0.001 0.000 0.270 576 K C -0.736 175.874 176.600 0.016 0.000 1.098 576 K CA -0.403 55.878 56.287 -0.010 0.000 0.943 576 K CB 0.915 33.413 32.500 -0.003 0.000 1.316 576 K HN 0.532 nan 8.250 nan 0.000 0.447 577 V N 5.779 125.710 119.914 0.028 0.000 2.493 577 V HA -0.014 4.106 4.120 0.001 0.000 0.292 577 V C 1.387 177.502 176.094 0.036 0.000 1.016 577 V CA 0.280 62.604 62.300 0.039 0.000 1.097 577 V CB 0.623 32.478 31.823 0.055 0.000 0.947 577 V HN 0.837 nan 8.190 nan 0.000 0.479 578 R N 2.813 123.334 120.500 0.035 0.000 2.080 578 R HA 0.192 4.533 4.340 0.001 0.000 0.222 578 R C 0.629 176.947 176.300 0.029 0.000 1.107 578 R CA 0.652 56.771 56.100 0.032 0.000 0.980 578 R CB 0.272 30.595 30.300 0.037 0.000 0.879 578 R HN 0.622 nan 8.270 nan 0.000 0.439 579 K N -0.508 119.910 120.400 0.029 0.000 2.572 579 K HA 0.287 4.608 4.320 0.001 0.000 0.263 579 K C -1.279 175.334 176.600 0.021 0.000 0.932 579 K CA -0.388 55.913 56.287 0.023 0.000 0.838 579 K CB 1.962 34.474 32.500 0.020 0.000 1.366 579 K HN 0.127 nan 8.250 nan 0.000 0.425 580 G N 0.636 109.445 108.800 0.016 0.000 2.502 580 G HA2 0.320 4.281 3.960 0.001 0.000 0.305 580 G HA3 0.320 4.281 3.960 0.001 0.000 0.305 580 G C 0.524 175.424 174.900 -0.000 0.000 1.190 580 G CA -0.693 44.414 45.100 0.011 0.000 0.933 580 G HN 0.354 nan 8.290 nan 0.000 0.503 581 V N -0.332 119.578 119.914 -0.007 0.000 3.041 581 V HA 0.035 4.156 4.120 0.001 0.000 0.260 581 V C 1.298 177.381 176.094 -0.019 0.000 1.105 581 V CA 1.466 63.756 62.300 -0.018 0.000 1.125 581 V CB -0.622 31.184 31.823 -0.029 0.000 0.730 581 V HN 0.732 nan 8.190 nan 0.000 0.479 582 E N 0.000 120.189 120.200 -0.018 0.000 2.725 582 E HA 0.000 4.351 4.350 0.001 0.000 0.291 582 E CA 0.000 56.386 56.400 -0.023 0.000 0.976 582 E CB 0.000 29.682 29.700 -0.029 0.000 0.812 582 E HN 0.000 nan 8.360 nan 0.000 0.440