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 2c7f_1_B DATA FIRST_RESID 3 DATA SEQUENCE KARMTVDKDY KIAEIDKRIY GSFVEHLGRA VYDGLYQPGN SKSDEDGFRK DATA SEQUENCE DVIELVKELN VPIIRYPGGN FVSNYFWEDG VGPVEDRPRR LDLAWKSIEP DATA SEQUENCE NQVGINEFAK WCKKVNAEIM MAVNLGTRGI SDACNLLEYC NHPGGSKYSD DATA SEQUENCE MRIKHGVKEP HNIKVWCLGN AMDGPWQVGH KTMDEYGRIA EETARAMKMI DATA SEQUENCE DPSIELVACG SSSKDMPTFP QWEATVLDYA YDYVDYISLH QYYGNKENDT DATA SEQUENCE ADFLAKSDDL DDFIRSVIAT CDYIKAKKRS KKDIYLSFDE WNVWYHSNNE DATA SEQUENCE DANIMQNEPW RIAPPLLEDI YTFEDALLVG LMLITLMKHA DRIKIACLAQ DATA SEQUENCE LINVIAPIVT ERNGGAAWRQ TIFYPFMHAS KYGRGIVLQP VINSPLHDTS DATA SEQUENCE KHEDVTDIES VAIYNEEKEE VTIFAVNRNI HEDIVLVSDV RGMXXXRLLE DATA SEQUENCE HIVLEHQDLK IRNSVNGEEV YPKNSDKSSF DDGILTSMLR RASWNVIRIG 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 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.608 176.600 0.014 0.000 0.988 3 K CA 0.000 56.294 56.287 0.012 0.000 0.838 3 K CB 0.000 32.505 32.500 0.008 0.000 1.064 4 A N 4.026 126.853 122.820 0.012 0.000 2.374 4 A HA 0.694 5.014 4.320 -0.000 0.000 0.305 4 A C -1.153 176.434 177.584 0.005 0.000 1.053 4 A CA -0.809 51.234 52.037 0.010 0.000 0.726 4 A CB 1.224 20.232 19.000 0.014 0.000 1.229 4 A HN 0.711 nan 8.150 nan 0.000 0.431 5 R N 1.172 121.673 120.500 0.002 0.000 2.368 5 R HA 0.705 5.045 4.340 -0.000 0.000 0.302 5 R C -0.375 175.920 176.300 -0.008 0.000 1.002 5 R CA -0.162 55.937 56.100 -0.002 0.000 0.929 5 R CB 1.652 31.951 30.300 -0.002 0.000 1.073 5 R HN 0.852 nan 8.270 nan 0.000 0.464 6 M N 0.805 120.399 119.600 -0.010 0.000 2.413 6 M HA 0.316 4.796 4.480 -0.000 0.000 0.287 6 M C -1.647 174.643 176.300 -0.017 0.000 1.186 6 M CA -0.399 54.889 55.300 -0.021 0.000 0.927 6 M CB 2.830 35.416 32.600 -0.024 0.000 1.715 6 M HN 0.514 nan 8.290 nan 0.000 0.478 7 T N 3.196 117.733 114.554 -0.028 0.000 2.809 7 T HA 0.703 5.053 4.350 -0.000 0.000 0.284 7 T C -1.736 172.946 174.700 -0.030 0.000 0.992 7 T CA -0.425 61.664 62.100 -0.019 0.000 0.957 7 T CB 0.976 69.836 68.868 -0.013 0.000 0.942 7 T HN 0.527 nan 8.240 nan 0.000 0.439 8 V N 5.454 125.359 119.914 -0.015 0.000 2.378 8 V HA 0.532 4.651 4.120 -0.000 0.000 0.288 8 V C -0.527 175.560 176.094 -0.012 0.000 1.016 8 V CA -0.743 61.542 62.300 -0.025 0.000 0.840 8 V CB 1.527 33.330 31.823 -0.034 0.000 0.994 8 V HN 0.961 nan 8.190 nan 0.000 0.431 9 D N 2.910 123.318 120.400 0.013 0.000 2.620 9 D HA 0.394 5.034 4.640 -0.000 0.000 0.252 9 D C 0.835 177.149 176.300 0.024 0.000 1.207 9 D CA -0.673 53.354 54.000 0.044 0.000 0.884 9 D CB 1.903 42.807 40.800 0.173 0.000 1.262 9 D HN 0.504 nan 8.370 nan 0.000 0.552 10 K N 1.563 121.911 120.400 -0.087 0.000 2.288 10 K HA -0.011 4.309 4.320 -0.000 0.000 0.201 10 K C 0.416 176.998 176.600 -0.029 0.000 1.048 10 K CA 1.017 57.215 56.287 -0.149 0.000 0.956 10 K CB 0.097 32.358 32.500 -0.398 0.000 0.746 10 K HN 0.181 nan 8.250 nan 0.000 0.461 11 D N -0.401 119.983 120.400 -0.027 0.000 2.378 11 D HA -0.088 4.551 4.640 -0.000 0.000 0.227 11 D C -0.601 175.657 176.300 -0.070 0.000 1.012 11 D CA 0.659 54.626 54.000 -0.055 0.000 0.905 11 D CB -0.080 40.656 40.800 -0.107 0.000 0.895 11 D HN 0.231 nan 8.370 nan 0.000 0.532 12 Y N 1.076 121.363 120.300 -0.021 0.000 2.836 12 Y HA 0.277 4.826 4.550 -0.000 0.000 0.359 12 Y C -0.288 175.607 175.900 -0.008 0.000 1.060 12 Y CA -1.162 56.929 58.100 -0.016 0.000 1.161 12 Y CB -0.217 38.228 38.460 -0.025 0.000 1.225 12 Y HN -0.333 nan 8.280 nan 0.000 0.621 13 K N 1.510 122.028 120.400 0.196 0.000 2.185 13 K HA 0.349 4.669 4.320 -0.000 0.000 0.271 13 K C 0.600 177.272 176.600 0.120 0.000 1.013 13 K CA -0.101 56.264 56.287 0.129 0.000 0.943 13 K CB 1.575 34.129 32.500 0.090 0.000 0.998 13 K HN 0.416 nan 8.250 nan 0.000 0.468 14 I N 0.381 120.990 120.570 0.066 0.000 2.899 14 I HA 0.185 4.355 4.170 -0.000 0.000 0.257 14 I C 0.360 176.503 176.117 0.043 0.000 1.115 14 I CA 0.213 61.537 61.300 0.040 0.000 1.451 14 I CB 0.493 38.486 38.000 -0.012 0.000 1.251 14 I HN 0.698 nan 8.210 nan 0.000 0.456 15 A N 0.311 123.151 122.820 0.033 0.000 2.544 15 A HA 0.414 4.733 4.320 -0.000 0.000 0.291 15 A C -1.292 176.304 177.584 0.020 0.000 1.055 15 A CA -0.550 51.507 52.037 0.032 0.000 0.651 15 A CB 0.753 19.774 19.000 0.035 0.000 1.296 15 A HN 0.097 nan 8.150 nan 0.000 0.431 16 E N 0.500 120.708 120.200 0.013 0.000 2.316 16 E HA 0.484 4.834 4.350 -0.000 0.000 0.275 16 E C -0.705 175.889 176.600 -0.011 0.000 1.029 16 E CA -0.126 56.275 56.400 0.001 0.000 0.871 16 E CB 0.424 30.122 29.700 -0.003 0.000 1.022 16 E HN 0.436 nan 8.360 nan 0.000 0.418 17 I N 4.123 124.687 120.570 -0.010 0.000 2.533 17 I HA -0.006 4.164 4.170 -0.000 0.000 0.284 17 I C 0.294 176.396 176.117 -0.026 0.000 1.109 17 I CA 0.221 61.507 61.300 -0.023 0.000 1.412 17 I CB 0.581 38.587 38.000 0.009 0.000 1.396 17 I HN 0.586 nan 8.210 nan 0.000 0.543 18 D N 7.131 127.494 120.400 -0.060 0.000 2.295 18 D HA 0.026 4.665 4.640 -0.000 0.000 0.248 18 D C 1.064 177.323 176.300 -0.068 0.000 1.154 18 D CA -0.326 53.641 54.000 -0.055 0.000 0.857 18 D CB 1.161 41.918 40.800 -0.071 0.000 1.117 18 D HN 0.538 nan 8.370 nan 0.000 0.468 19 K N 3.374 123.779 120.400 0.009 0.000 2.281 19 K HA -0.149 4.171 4.320 -0.000 0.000 0.203 19 K C 1.196 177.826 176.600 0.050 0.000 1.046 19 K CA 0.855 57.199 56.287 0.095 0.000 0.938 19 K CB 0.074 32.647 32.500 0.121 0.000 0.737 19 K HN 0.275 nan 8.250 nan 0.000 0.458 20 R N 1.208 121.698 120.500 -0.016 0.000 2.339 20 R HA 0.029 4.368 4.340 -0.000 0.000 0.199 20 R C 2.162 178.426 176.300 -0.059 0.000 1.018 20 R CA 0.957 57.048 56.100 -0.014 0.000 1.036 20 R CB -0.479 29.802 30.300 -0.032 0.000 0.899 20 R HN 0.531 nan 8.270 nan 0.000 0.473 21 I N -3.115 117.328 120.570 -0.212 0.000 3.291 21 I HA -0.093 4.077 4.170 -0.000 0.000 0.279 21 I C 0.235 176.151 176.117 -0.335 0.000 1.294 21 I CA 0.925 62.041 61.300 -0.307 0.000 1.428 21 I CB 0.047 37.773 38.000 -0.458 0.000 1.070 21 I HN -0.062 nan 8.210 nan 0.000 0.478 22 Y N 2.432 122.768 120.300 0.059 0.000 2.746 22 Y HA 0.557 5.107 4.550 -0.000 0.000 0.312 22 Y C 1.439 177.540 175.900 0.334 0.000 1.117 22 Y CA -0.905 57.240 58.100 0.075 0.000 1.324 22 Y CB -0.458 37.955 38.460 -0.079 0.000 1.173 22 Y HN 0.108 nan 8.280 nan 0.000 0.529 23 G N -0.448 108.560 108.800 0.346 0.000 2.580 23 G HA2 0.433 4.393 3.960 -0.000 0.000 0.278 23 G HA3 0.433 4.393 3.960 -0.000 0.000 0.278 23 G C -0.174 174.889 174.900 0.272 0.000 1.212 23 G CA -0.100 45.157 45.100 0.262 0.000 0.939 23 G HN 0.248 nan 8.290 nan 0.000 0.513 24 S N -1.801 113.986 115.700 0.145 0.000 2.998 24 S HA 0.787 5.257 4.470 -0.000 0.000 0.323 24 S C -2.045 172.668 174.600 0.187 0.000 1.141 24 S CA -0.543 57.697 58.200 0.066 0.000 0.873 24 S CB 1.374 64.519 63.200 -0.093 0.000 1.315 24 S HN 0.959 nan 8.310 nan 0.000 0.637 25 F N 1.437 121.355 119.950 -0.053 0.000 2.623 25 F HA 0.643 5.170 4.527 -0.000 0.000 0.323 25 F C -2.010 173.763 175.800 -0.045 0.000 1.158 25 F CA -0.774 57.210 58.000 -0.025 0.000 1.030 25 F CB 0.879 39.843 39.000 -0.059 0.000 1.280 25 F HN 0.281 nan 8.300 nan 0.000 0.474 26 V N 5.872 125.708 119.914 -0.129 0.000 2.378 26 V HA 0.436 4.555 4.120 -0.000 0.000 0.288 26 V C -0.432 175.351 176.094 -0.519 0.000 1.016 26 V CA -0.638 61.434 62.300 -0.379 0.000 0.840 26 V CB 1.527 33.314 31.823 -0.060 0.000 0.994 26 V HN 0.795 nan 8.190 nan 0.000 0.431 27 E N 2.892 122.614 120.200 -0.798 0.000 2.202 27 E HA 0.354 4.704 4.350 -0.000 0.000 0.272 27 E C -0.382 175.870 176.600 -0.580 0.000 0.951 27 E CA -0.826 55.233 56.400 -0.569 0.000 0.813 27 E CB 0.999 30.387 29.700 -0.520 0.000 1.151 27 E HN 0.730 nan 8.360 nan 0.000 0.398 28 H N 4.341 122.936 119.070 -0.791 0.000 3.392 28 H HA 0.136 4.692 4.556 -0.000 0.000 0.253 28 H C -0.559 174.383 175.328 -0.642 0.000 1.682 28 H CA 0.318 55.827 56.048 -0.899 0.000 1.535 28 H CB -0.265 28.492 29.762 -1.676 0.000 1.823 28 H HN 0.252 nan 8.280 nan 0.000 0.576 29 L N 1.289 122.228 121.223 -0.472 0.000 2.464 29 L HA 0.382 4.722 4.340 -0.000 0.000 0.266 29 L C 0.774 177.372 176.870 -0.453 0.000 0.965 29 L CA -0.174 54.339 54.840 -0.544 0.000 0.833 29 L CB 1.509 43.071 42.059 -0.828 0.000 1.296 29 L HN 0.714 nan 8.230 nan 0.000 0.405 30 G N 4.278 112.870 108.800 -0.346 0.000 2.672 30 G HA2 -0.361 3.598 3.960 -0.000 0.000 0.324 30 G HA3 -0.361 3.598 3.960 -0.000 0.000 0.324 30 G C 0.476 175.264 174.900 -0.186 0.000 1.286 30 G CA 0.659 45.607 45.100 -0.253 0.000 1.004 30 G HN 0.740 nan 8.290 nan 0.000 0.548 31 R N 1.217 121.590 120.500 -0.211 0.000 2.586 31 R HA 0.495 4.835 4.340 -0.000 0.000 0.306 31 R C 2.315 178.471 176.300 -0.241 0.000 1.079 31 R CA 0.613 56.612 56.100 -0.169 0.000 1.083 31 R CB 0.120 30.338 30.300 -0.137 0.000 1.306 31 R HN 0.547 nan 8.270 nan 0.000 0.567 32 A N 0.473 123.096 122.820 -0.329 0.000 1.898 32 A HA -0.076 4.244 4.320 -0.000 0.000 0.216 32 A C 1.915 179.237 177.584 -0.436 0.000 1.181 32 A CA 1.324 53.122 52.037 -0.398 0.000 0.620 32 A CB 0.052 18.762 19.000 -0.483 0.000 0.819 32 A HN 0.118 nan 8.150 nan 0.000 0.442 33 V N -2.036 117.575 119.914 -0.506 0.000 2.502 33 V HA 0.067 4.187 4.120 -0.000 0.000 0.234 33 V C 0.590 176.407 176.094 -0.462 0.000 1.072 33 V CA 0.268 62.176 62.300 -0.652 0.000 1.094 33 V CB -0.899 30.268 31.823 -1.093 0.000 0.761 33 V HN 0.482 nan 8.190 nan 0.000 0.489 34 Y N 1.211 121.446 120.300 -0.108 0.000 2.335 34 Y HA 0.377 4.927 4.550 -0.000 0.000 0.331 34 Y C 0.852 176.716 175.900 -0.059 0.000 1.094 34 Y CA -0.187 57.911 58.100 -0.003 0.000 1.253 34 Y CB -0.102 38.370 38.460 0.019 0.000 1.203 34 Y HN 0.353 nan 8.280 nan 0.000 0.508 35 D N 0.489 120.939 120.400 0.083 0.000 2.837 35 D HA -0.169 4.471 4.640 -0.000 0.000 0.230 35 D C 0.439 176.703 176.300 -0.060 0.000 1.152 35 D CA 1.408 55.407 54.000 -0.002 0.000 0.736 35 D CB -0.903 39.898 40.800 0.001 0.000 1.084 35 D HN 0.896 nan 8.370 nan 0.000 0.429 36 G N -0.953 107.794 108.800 -0.090 0.000 3.193 36 G HA2 0.334 4.294 3.960 -0.000 0.000 0.186 36 G HA3 0.334 4.294 3.960 -0.000 0.000 0.186 36 G C 1.000 175.822 174.900 -0.131 0.000 1.536 36 G CA 0.036 45.049 45.100 -0.145 0.000 0.943 36 G HN 0.436 nan 8.290 nan 0.000 0.781 37 L N -1.348 119.743 121.223 -0.220 0.000 2.217 37 L HA 0.416 4.756 4.340 -0.000 0.000 0.211 37 L C 0.852 177.700 176.870 -0.036 0.000 1.107 37 L CA 0.867 55.571 54.840 -0.227 0.000 0.783 37 L CB -0.491 41.115 42.059 -0.754 0.000 0.919 37 L HN 0.217 nan 8.230 nan 0.000 0.442 38 Y N 1.772 121.964 120.300 -0.180 0.000 2.388 38 Y HA 0.570 5.120 4.550 -0.000 0.000 0.328 38 Y C -0.916 174.969 175.900 -0.024 0.000 0.963 38 Y CA -0.879 57.195 58.100 -0.043 0.000 1.240 38 Y CB 0.762 39.151 38.460 -0.118 0.000 1.118 38 Y HN 0.234 nan 8.280 nan 0.000 0.484 39 Q N 8.200 127.767 119.800 -0.389 0.000 2.891 39 Q HA 0.230 4.569 4.340 -0.000 0.000 0.242 39 Q C -2.346 173.419 176.000 -0.392 0.000 0.959 39 Q CA -1.933 53.672 55.803 -0.331 0.000 0.707 39 Q CB 1.762 30.418 28.738 -0.138 0.000 1.283 39 Q HN 0.486 nan 8.270 nan 0.000 0.480 40 P HA -0.235 nan 4.420 nan 0.000 0.212 40 P C 1.251 178.432 177.300 -0.198 0.000 1.174 40 P CA 1.735 64.602 63.100 -0.389 0.000 0.934 40 P CB 0.131 31.655 31.700 -0.293 0.000 0.791 41 G N -1.548 107.169 108.800 -0.139 0.000 2.776 41 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.209 41 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.209 41 G C 0.693 175.552 174.900 -0.070 0.000 1.145 41 G CA -0.070 44.980 45.100 -0.084 0.000 0.791 41 G HN 0.253 nan 8.290 nan 0.000 0.530 42 N N 0.712 119.362 118.700 -0.082 0.000 2.525 42 N HA 0.030 4.769 4.740 -0.000 0.000 0.271 42 N C 1.857 177.342 175.510 -0.041 0.000 1.194 42 N CA 0.470 53.486 53.050 -0.057 0.000 0.964 42 N CB 1.350 39.801 38.487 -0.059 0.000 1.126 42 N HN 0.088 nan 8.380 nan 0.000 0.452 43 S N 2.936 118.620 115.700 -0.027 0.000 2.419 43 S HA -0.114 4.355 4.470 -0.000 0.000 0.233 43 S C 1.071 175.664 174.600 -0.012 0.000 1.016 43 S CA 1.102 59.291 58.200 -0.018 0.000 0.974 43 S CB -0.015 63.176 63.200 -0.014 0.000 0.786 43 S HN 0.575 nan 8.310 nan 0.000 0.492 44 K N 1.503 121.898 120.400 -0.010 0.000 2.417 44 K HA 0.311 4.631 4.320 -0.000 0.000 0.196 44 K C -0.322 176.286 176.600 0.014 0.000 1.023 44 K CA -0.029 56.259 56.287 0.003 0.000 1.122 44 K CB 0.510 33.014 32.500 0.006 0.000 0.850 44 K HN 0.201 nan 8.250 nan 0.000 0.521 45 S N 2.217 117.917 115.700 0.001 0.000 2.451 45 S HA 0.113 4.583 4.470 -0.000 0.000 0.301 45 S C -0.811 173.793 174.600 0.006 0.000 1.116 45 S CA -1.398 56.810 58.200 0.012 0.000 1.093 45 S CB 1.070 64.248 63.200 -0.036 0.000 1.017 45 S HN 0.457 nan 8.310 nan 0.000 0.482 46 D N 1.746 122.168 120.400 0.037 0.000 2.587 46 D HA -0.215 4.425 4.640 -0.000 0.000 0.195 46 D C 0.530 176.813 176.300 -0.029 0.000 1.220 46 D CA 0.509 54.525 54.000 0.026 0.000 0.815 46 D CB 0.495 41.345 40.800 0.084 0.000 1.185 46 D HN 0.562 nan 8.370 nan 0.000 0.539 47 E N -0.133 120.054 120.200 -0.022 0.000 2.409 47 E HA -0.058 4.291 4.350 -0.000 0.000 0.198 47 E C 0.830 177.378 176.600 -0.085 0.000 1.024 47 E CA 1.036 57.412 56.400 -0.040 0.000 0.861 47 E CB -0.059 29.634 29.700 -0.011 0.000 0.788 47 E HN 0.433 nan 8.360 nan 0.000 0.521 48 D N -0.627 119.680 120.400 -0.155 0.000 2.349 48 D HA 0.090 4.730 4.640 -0.000 0.000 0.215 48 D C 1.198 177.188 176.300 -0.517 0.000 1.016 48 D CA 0.871 54.666 54.000 -0.342 0.000 0.870 48 D CB 0.646 41.163 40.800 -0.471 0.000 0.917 48 D HN 0.309 nan 8.370 nan 0.000 0.524 49 G N 0.495 109.069 108.800 -0.378 0.000 2.157 49 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.239 49 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.239 49 G C -0.028 174.703 174.900 -0.282 0.000 0.982 49 G CA -0.480 44.383 45.100 -0.395 0.000 0.650 49 G HN 0.147 nan 8.290 nan 0.000 0.527 50 F N 1.997 122.000 119.950 0.087 0.000 2.410 50 F HA 0.576 5.103 4.527 -0.000 0.000 0.348 50 F C 1.237 177.087 175.800 0.083 0.000 1.106 50 F CA -1.448 56.638 58.000 0.144 0.000 1.163 50 F CB 0.660 39.848 39.000 0.315 0.000 1.129 50 F HN -0.129 nan 8.300 nan 0.000 0.516 51 R N 3.533 124.188 120.500 0.258 0.000 2.446 51 R HA 0.023 4.363 4.340 -0.000 0.000 0.314 51 R C 1.027 177.422 176.300 0.157 0.000 1.003 51 R CA 0.108 56.293 56.100 0.142 0.000 1.018 51 R CB 0.291 30.642 30.300 0.084 0.000 0.945 51 R HN 0.756 nan 8.270 nan 0.000 0.419 52 K N 1.484 121.945 120.400 0.103 0.000 2.148 52 K HA -0.146 4.174 4.320 -0.000 0.000 0.204 52 K C 1.285 177.910 176.600 0.041 0.000 1.050 52 K CA 1.657 57.987 56.287 0.073 0.000 0.942 52 K CB 0.155 32.684 32.500 0.049 0.000 0.724 52 K HN 0.573 nan 8.250 nan 0.000 0.446 53 D N 0.694 121.115 120.400 0.036 0.000 2.144 53 D HA -0.132 4.507 4.640 -0.000 0.000 0.200 53 D C 1.837 178.150 176.300 0.020 0.000 0.978 53 D CA 0.884 54.896 54.000 0.020 0.000 0.833 53 D CB -0.608 40.202 40.800 0.016 0.000 0.961 53 D HN -0.040 nan 8.370 nan 0.000 0.470 54 V N 1.122 121.063 119.914 0.045 0.000 2.295 54 V HA -0.207 3.912 4.120 -0.000 0.000 0.246 54 V C 2.757 178.884 176.094 0.054 0.000 1.049 54 V CA 1.249 63.586 62.300 0.062 0.000 1.024 54 V CB -0.476 31.413 31.823 0.110 0.000 0.648 54 V HN 0.171 nan 8.190 nan 0.000 0.447 55 I N -0.176 120.417 120.570 0.040 0.000 2.208 55 I HA -0.228 3.941 4.170 -0.000 0.000 0.245 55 I C 2.624 178.674 176.117 -0.113 0.000 1.097 55 I CA 1.386 62.620 61.300 -0.110 0.000 1.363 55 I CB -0.412 37.512 38.000 -0.126 0.000 1.051 55 I HN 0.326 nan 8.210 nan 0.000 0.413 56 E N 0.640 120.811 120.200 -0.048 0.000 2.106 56 E HA -0.147 4.202 4.350 -0.000 0.000 0.192 56 E C 2.320 178.916 176.600 -0.007 0.000 0.984 56 E CA 1.124 57.504 56.400 -0.033 0.000 0.806 56 E CB -0.306 29.386 29.700 -0.013 0.000 0.750 56 E HN 0.516 nan 8.360 nan 0.000 0.458 57 L N 0.223 121.454 121.223 0.013 0.000 2.156 57 L HA -0.107 4.232 4.340 -0.000 0.000 0.208 57 L C 2.420 179.348 176.870 0.097 0.000 1.095 57 L CA 0.454 55.348 54.840 0.089 0.000 0.770 57 L CB -0.249 41.849 42.059 0.065 0.000 0.914 57 L HN -0.025 nan 8.230 nan 0.000 0.439 58 V N -0.285 119.614 119.914 -0.025 0.000 2.323 58 V HA -0.241 3.879 4.120 -0.000 0.000 0.244 58 V C 2.430 178.442 176.094 -0.138 0.000 1.041 58 V CA 1.559 63.788 62.300 -0.119 0.000 1.025 58 V CB -0.478 31.220 31.823 -0.209 0.000 0.656 58 V HN 0.378 nan 8.190 nan 0.000 0.451 59 K N -0.180 120.139 120.400 -0.135 0.000 2.152 59 K HA -0.247 4.072 4.320 -0.000 0.000 0.206 59 K C 2.214 178.782 176.600 -0.055 0.000 1.048 59 K CA 1.704 57.924 56.287 -0.112 0.000 0.933 59 K CB -0.133 32.301 32.500 -0.110 0.000 0.721 59 K HN 0.539 nan 8.250 nan 0.000 0.447 60 E N 0.936 121.137 120.200 0.002 0.000 2.077 60 E HA -0.147 4.202 4.350 -0.000 0.000 0.193 60 E C 1.984 178.592 176.600 0.013 0.000 0.989 60 E CA 0.705 57.148 56.400 0.073 0.000 0.800 60 E CB 0.070 29.899 29.700 0.215 0.000 0.746 60 E HN 0.219 nan 8.360 nan 0.000 0.452 61 L N 0.754 121.915 121.223 -0.104 0.000 2.131 61 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 61 L C 0.738 177.559 176.870 -0.081 0.000 1.092 61 L CA 0.487 55.166 54.840 -0.268 0.000 0.759 61 L CB -0.321 41.446 42.059 -0.487 0.000 0.903 61 L HN 0.329 nan 8.230 nan 0.000 0.435 62 N N 0.575 119.232 118.700 -0.072 0.000 2.522 62 N HA -0.168 4.572 4.740 -0.000 0.000 0.281 62 N C -1.231 174.297 175.510 0.030 0.000 1.267 62 N CA 0.157 53.182 53.050 -0.043 0.000 0.675 62 N CB -0.625 37.825 38.487 -0.061 0.000 0.890 62 N HN -0.038 nan 8.380 nan 0.000 0.542 63 V N 5.419 125.334 119.914 0.002 0.000 2.350 63 V HA 0.301 4.421 4.120 -0.000 0.000 0.285 63 V C -1.325 174.783 176.094 0.023 0.000 1.014 63 V CA -1.117 61.221 62.300 0.063 0.000 0.831 63 V CB 1.738 33.560 31.823 -0.000 0.000 1.000 63 V HN 0.349 nan 8.190 nan 0.000 0.433 64 P HA 0.147 nan 4.420 nan 0.000 0.222 64 P C 0.193 177.504 177.300 0.020 0.000 1.153 64 P CA 0.812 63.932 63.100 0.033 0.000 0.798 64 P CB 0.742 32.480 31.700 0.063 0.000 0.796 65 I N -0.893 119.705 120.570 0.046 0.000 2.656 65 I HA 0.379 4.549 4.170 -0.000 0.000 0.292 65 I C -1.575 174.588 176.117 0.076 0.000 1.144 65 I CA -1.286 60.040 61.300 0.043 0.000 1.038 65 I CB 2.149 40.169 38.000 0.035 0.000 1.244 65 I HN -0.367 nan 8.210 nan 0.000 0.420 66 I N 6.849 127.478 120.570 0.098 0.000 2.447 66 I HA 0.450 4.620 4.170 -0.000 0.000 0.287 66 I C -0.123 176.137 176.117 0.239 0.000 1.023 66 I CA -0.688 60.724 61.300 0.187 0.000 1.083 66 I CB 1.788 39.936 38.000 0.246 0.000 1.245 66 I HN 0.525 nan 8.210 nan 0.000 0.434 67 R N 5.233 125.888 120.500 0.257 0.000 2.491 67 R HA 0.342 4.682 4.340 -0.000 0.000 0.283 67 R C -1.771 174.797 176.300 0.447 0.000 1.072 67 R CA 0.116 56.362 56.100 0.245 0.000 1.048 67 R CB 0.719 31.047 30.300 0.046 0.000 0.983 67 R HN 0.614 nan 8.270 nan 0.000 0.450 68 Y N 5.130 125.497 120.300 0.111 0.000 2.565 68 Y HA 0.262 4.812 4.550 -0.000 0.000 0.330 68 Y C -2.423 173.464 175.900 -0.022 0.000 1.150 68 Y CA -1.810 56.268 58.100 -0.037 0.000 1.055 68 Y CB 2.362 40.623 38.460 -0.332 0.000 1.337 68 Y HN 0.511 nan 8.280 nan 0.000 0.457 69 P HA 0.393 nan 4.420 nan 0.000 0.263 69 P C -0.240 176.986 177.300 -0.124 0.000 1.448 69 P CA 0.593 63.111 63.100 -0.971 0.000 0.983 69 P CB 0.831 31.711 31.700 -1.367 0.000 1.481 70 G N -1.889 107.024 108.800 0.188 0.000 2.356 70 G HA2 0.517 4.476 3.960 -0.000 0.000 0.294 70 G HA3 0.517 4.476 3.960 -0.000 0.000 0.294 70 G C -0.692 174.348 174.900 0.234 0.000 1.423 70 G CA 0.038 45.385 45.100 0.412 0.000 0.806 70 G HN 0.269 nan 8.290 nan 0.000 0.527 71 G N -0.952 107.990 108.800 0.237 0.000 2.707 71 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.686 71 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.686 71 G C 0.502 175.647 174.900 0.407 0.000 1.315 71 G CA 0.313 45.713 45.100 0.501 0.000 0.832 71 G HN 1.047 nan 8.290 nan 0.000 0.573 72 N N -0.778 118.208 118.700 0.478 0.000 2.457 72 N HA 0.026 4.766 4.740 -0.000 0.000 0.180 72 N C 1.940 177.596 175.510 0.244 0.000 1.050 72 N CA 1.001 54.223 53.050 0.286 0.000 0.906 72 N CB -0.035 38.524 38.487 0.121 0.000 0.968 72 N HN 0.493 nan 8.380 nan 0.000 0.445 73 F N 1.051 121.150 119.950 0.248 0.000 2.234 73 F HA -0.070 4.457 4.527 -0.000 0.000 0.299 73 F C 1.991 177.846 175.800 0.091 0.000 1.087 73 F CA 0.703 58.809 58.000 0.177 0.000 1.340 73 F CB -0.258 38.856 39.000 0.191 0.000 1.031 73 F HN -0.191 nan 8.300 nan 0.000 0.500 74 V N -0.525 119.442 119.914 0.089 0.000 2.809 74 V HA -0.184 3.935 4.120 -0.000 0.000 0.256 74 V C 2.105 178.183 176.094 -0.028 0.000 1.080 74 V CA 2.077 64.379 62.300 0.004 0.000 1.102 74 V CB -0.513 31.371 31.823 0.102 0.000 0.705 74 V HN 0.418 nan 8.190 nan 0.000 0.475 75 S N 0.642 116.332 115.700 -0.017 0.000 2.507 75 S HA -0.064 4.406 4.470 -0.000 0.000 0.235 75 S C 1.372 175.922 174.600 -0.084 0.000 0.988 75 S CA 1.288 59.471 58.200 -0.029 0.000 0.944 75 S CB -0.291 62.909 63.200 0.000 0.000 0.762 75 S HN 0.709 nan 8.310 nan 0.000 0.526 76 N N -0.076 118.550 118.700 -0.124 0.000 2.466 76 N HA 0.140 4.880 4.740 -0.000 0.000 0.272 76 N C -1.184 174.235 175.510 -0.151 0.000 1.455 76 N CA -0.381 52.595 53.050 -0.123 0.000 0.875 76 N CB 0.226 38.715 38.487 0.003 0.000 1.372 76 N HN 0.234 nan 8.380 nan 0.000 0.492 77 Y N 0.504 120.540 120.300 -0.440 0.000 2.334 77 Y HA 0.536 5.086 4.550 -0.000 0.000 0.328 77 Y C -1.271 174.398 175.900 -0.384 0.000 1.130 77 Y CA -1.059 56.793 58.100 -0.414 0.000 1.163 77 Y CB 0.412 38.520 38.460 -0.587 0.000 1.207 77 Y HN -0.067 nan 8.280 nan 0.000 0.471 78 F N 7.101 126.624 119.950 -0.712 0.000 2.366 78 F HA 0.168 4.695 4.527 -0.000 0.000 0.366 78 F C 0.604 175.805 175.800 -0.999 0.000 1.096 78 F CA -1.198 56.408 58.000 -0.656 0.000 1.060 78 F CB 0.435 39.192 39.000 -0.406 0.000 1.282 78 F HN 0.799 nan 8.300 nan 0.000 0.450 79 W N 1.917 122.742 121.300 -0.792 0.000 2.341 79 W HA -0.181 4.479 4.660 -0.000 0.000 0.283 79 W C 0.607 176.980 176.519 -0.243 0.000 1.215 79 W CA 1.434 58.434 57.345 -0.574 0.000 1.211 79 W CB -0.674 28.668 29.460 -0.197 0.000 1.131 79 W HN 0.445 nan 8.180 nan 0.000 0.552 80 E N 1.136 120.738 120.200 -0.996 0.000 2.209 80 E HA -0.189 4.161 4.350 -0.000 0.000 0.196 80 E C 1.563 177.983 176.600 -0.299 0.000 0.993 80 E CA 1.937 57.868 56.400 -0.780 0.000 0.819 80 E CB -0.513 28.709 29.700 -0.797 0.000 0.745 80 E HN 0.158 nan 8.360 nan 0.000 0.477 81 D N -0.511 119.747 120.400 -0.236 0.000 2.310 81 D HA -0.066 4.574 4.640 -0.000 0.000 0.212 81 D C 1.543 177.865 176.300 0.036 0.000 0.965 81 D CA 1.213 55.162 54.000 -0.085 0.000 0.879 81 D CB -0.171 40.600 40.800 -0.048 0.000 0.921 81 D HN 0.308 nan 8.370 nan 0.000 0.510 82 G N 0.181 109.039 108.800 0.096 0.000 3.277 82 G HA2 0.300 4.260 3.960 -0.000 0.000 0.243 82 G HA3 0.300 4.260 3.960 -0.000 0.000 0.243 82 G C 0.524 175.527 174.900 0.173 0.000 1.107 82 G CA 0.040 45.267 45.100 0.211 0.000 0.771 82 G HN 0.208 nan 8.290 nan 0.000 0.544 83 V N -3.539 116.425 119.914 0.083 0.000 3.113 83 V HA 0.996 5.116 4.120 -0.000 0.000 0.316 83 V C 0.641 176.605 176.094 -0.217 0.000 1.125 83 V CA -0.352 61.965 62.300 0.028 0.000 1.026 83 V CB 1.057 32.979 31.823 0.165 0.000 1.080 83 V HN 1.339 nan 8.190 nan 0.000 0.444 84 G N 1.530 109.969 108.800 -0.601 0.000 2.725 84 G HA2 -0.067 3.892 3.960 -0.000 0.000 0.220 84 G HA3 -0.067 3.892 3.960 -0.000 0.000 0.220 84 G C -2.917 171.883 174.900 -0.167 0.000 1.357 84 G CA -0.393 44.304 45.100 -0.673 0.000 0.866 84 G HN 0.993 nan 8.290 nan 0.000 0.548 85 P HA 0.195 nan 4.420 nan 0.000 0.260 85 P C 1.209 178.516 177.300 0.013 0.000 1.172 85 P CA 0.396 63.505 63.100 0.014 0.000 0.760 85 P CB 1.121 32.841 31.700 0.033 0.000 0.773 86 V N 3.932 123.867 119.914 0.034 0.000 2.469 86 V HA -0.288 3.832 4.120 -0.000 0.000 0.251 86 V C 1.501 177.618 176.094 0.038 0.000 1.064 86 V CA 2.184 64.512 62.300 0.046 0.000 1.066 86 V CB -0.779 31.084 31.823 0.067 0.000 0.667 86 V HN 0.504 nan 8.190 nan 0.000 0.461 87 E N 0.114 120.333 120.200 0.031 0.000 2.204 87 E HA -0.153 4.196 4.350 -0.000 0.000 0.194 87 E C 1.558 178.166 176.600 0.014 0.000 0.989 87 E CA 1.424 57.839 56.400 0.024 0.000 0.824 87 E CB -0.292 29.422 29.700 0.022 0.000 0.756 87 E HN 0.633 nan 8.360 nan 0.000 0.477 88 D N 0.173 120.579 120.400 0.011 0.000 2.339 88 D HA 0.036 4.676 4.640 -0.000 0.000 0.217 88 D C -0.028 176.267 176.300 -0.008 0.000 1.050 88 D CA 0.096 54.096 54.000 -0.000 0.000 0.856 88 D CB 0.145 40.945 40.800 0.001 0.000 0.922 88 D HN 0.059 nan 8.370 nan 0.000 0.518 89 R N 2.177 122.679 120.500 0.003 0.000 2.347 89 R HA 0.237 4.576 4.340 -0.000 0.000 0.304 89 R C -2.139 174.165 176.300 0.007 0.000 1.072 89 R CA -1.051 55.054 56.100 0.008 0.000 0.980 89 R CB 0.432 30.756 30.300 0.039 0.000 0.986 89 R HN 0.044 nan 8.270 nan 0.000 0.448 90 P HA 0.203 nan 4.420 nan 0.000 0.281 90 P C -0.870 176.434 177.300 0.007 0.000 1.249 90 P CA -0.646 62.443 63.100 -0.018 0.000 0.810 90 P CB 0.933 32.600 31.700 -0.054 0.000 1.008 91 R N 1.780 122.279 120.500 -0.002 0.000 2.340 91 R HA 0.398 4.737 4.340 -0.000 0.000 0.300 91 R C 0.440 176.744 176.300 0.006 0.000 1.069 91 R CA -0.340 55.768 56.100 0.014 0.000 0.984 91 R CB 0.552 30.850 30.300 -0.003 0.000 1.003 91 R HN 0.351 nan 8.270 nan 0.000 0.459 92 R N 2.523 123.057 120.500 0.055 0.000 2.803 92 R HA 0.382 4.722 4.340 -0.000 0.000 0.276 92 R C -0.530 175.821 176.300 0.084 0.000 0.978 92 R CA -1.035 55.094 56.100 0.048 0.000 0.939 92 R CB 1.138 31.495 30.300 0.096 0.000 1.179 92 R HN 0.486 nan 8.270 nan 0.000 0.472 93 L N 1.824 123.057 121.223 0.016 0.000 2.361 93 L HA 0.122 4.462 4.340 -0.000 0.000 0.278 93 L C 0.351 177.379 176.870 0.263 0.000 1.113 93 L CA -0.321 54.552 54.840 0.054 0.000 0.849 93 L CB 0.202 42.125 42.059 -0.227 0.000 1.155 93 L HN 0.450 nan 8.230 nan 0.000 0.452 94 D N 3.742 124.414 120.400 0.452 0.000 2.380 94 D HA 0.199 4.839 4.640 -0.000 0.000 0.230 94 D C 0.962 177.513 176.300 0.419 0.000 1.154 94 D CA -0.284 53.972 54.000 0.427 0.000 0.859 94 D CB 0.929 42.055 40.800 0.543 0.000 1.045 94 D HN 0.380 nan 8.370 nan 0.000 0.495 95 L N 3.054 124.449 121.223 0.285 0.000 2.217 95 L HA -0.006 4.334 4.340 -0.000 0.000 0.211 95 L C 2.323 179.222 176.870 0.048 0.000 1.107 95 L CA 0.770 55.746 54.840 0.226 0.000 0.783 95 L CB -0.578 41.578 42.059 0.163 0.000 0.919 95 L HN 0.448 nan 8.230 nan 0.000 0.442 96 A N 0.089 122.885 122.820 -0.039 0.000 1.908 96 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 96 A C 1.417 178.621 177.584 -0.634 0.000 1.181 96 A CA 1.601 53.403 52.037 -0.392 0.000 0.627 96 A CB -0.642 18.077 19.000 -0.469 0.000 0.818 96 A HN 0.632 nan 8.150 nan 0.000 0.445 97 W N -2.081 119.284 121.300 0.108 0.000 2.599 97 W HA 0.508 5.168 4.660 -0.000 0.000 0.396 97 W C 0.327 176.801 176.519 -0.075 0.000 0.944 97 W CA -0.642 56.719 57.345 0.028 0.000 2.042 97 W CB 0.493 29.980 29.460 0.044 0.000 1.184 97 W HN 0.044 nan 8.180 nan 0.000 0.604 98 K N 0.991 121.360 120.400 -0.050 0.000 3.156 98 K HA -0.206 4.114 4.320 -0.000 0.000 0.266 98 K C -0.597 175.743 176.600 -0.433 0.000 0.966 98 K CA 0.746 56.690 56.287 -0.572 0.000 0.719 98 K CB -1.750 30.372 32.500 -0.629 0.000 1.333 98 K HN 0.096 nan 8.250 nan 0.000 0.468 99 S N -0.312 115.460 115.700 0.119 0.000 2.634 99 S HA 0.636 5.105 4.470 -0.000 0.000 0.296 99 S C -0.256 174.662 174.600 0.530 0.000 1.104 99 S CA -1.086 57.293 58.200 0.299 0.000 0.920 99 S CB 1.724 65.063 63.200 0.231 0.000 1.111 99 S HN 0.138 nan 8.310 nan 0.000 0.493 100 I N 2.411 123.207 120.570 0.376 0.000 2.315 100 I HA 0.321 4.491 4.170 -0.000 0.000 0.291 100 I C 0.188 176.417 176.117 0.187 0.000 1.006 100 I CA -0.320 61.139 61.300 0.264 0.000 1.265 100 I CB 0.904 39.001 38.000 0.162 0.000 1.387 100 I HN 0.656 nan 8.210 nan 0.000 0.475 101 E N 10.382 130.719 120.200 0.227 0.000 2.089 101 E HA 0.301 4.651 4.350 -0.000 0.000 0.284 101 E C -1.908 174.772 176.600 0.132 0.000 1.023 101 E CA -2.044 54.498 56.400 0.237 0.000 0.819 101 E CB 1.175 31.134 29.700 0.433 0.000 1.076 101 E HN 0.254 nan 8.360 nan 0.000 0.396 102 P HA -0.023 nan 4.420 nan 0.000 0.236 102 P C -0.556 176.791 177.300 0.079 0.000 1.177 102 P CA 0.274 63.351 63.100 -0.039 0.000 0.773 102 P CB 0.199 31.759 31.700 -0.232 0.000 0.878 103 N N -0.356 118.474 118.700 0.216 0.000 2.708 103 N HA -0.190 4.549 4.740 -0.000 0.000 0.251 103 N C 1.002 176.667 175.510 0.259 0.000 1.123 103 N CA 0.828 54.050 53.050 0.287 0.000 0.739 103 N CB -1.672 36.948 38.487 0.221 0.000 1.113 103 N HN 0.441 nan 8.380 nan 0.000 0.561 104 Q N -0.317 119.658 119.800 0.291 0.000 2.119 104 Q HA -0.003 4.337 4.340 -0.000 0.000 0.201 104 Q C 0.547 176.601 176.000 0.090 0.000 0.972 104 Q CA 1.008 56.944 55.803 0.222 0.000 0.847 104 Q CB 0.339 29.268 28.738 0.319 0.000 0.903 104 Q HN 0.186 nan 8.270 nan 0.000 0.433 105 V N 0.054 120.033 119.914 0.108 0.000 2.427 105 V HA 0.612 4.732 4.120 -0.000 0.000 0.286 105 V C 0.051 176.297 176.094 0.254 0.000 1.034 105 V CA -0.376 61.898 62.300 -0.043 0.000 0.893 105 V CB 1.488 33.080 31.823 -0.384 0.000 0.982 105 V HN 0.241 nan 8.190 nan 0.000 0.452 106 G N 3.756 112.710 108.800 0.257 0.000 2.267 106 G HA2 0.551 4.511 3.960 -0.000 0.000 0.285 106 G HA3 0.551 4.511 3.960 -0.000 0.000 0.285 106 G C -0.527 174.584 174.900 0.353 0.000 1.323 106 G CA 0.399 45.717 45.100 0.364 0.000 1.306 106 G HN 1.260 nan 8.290 nan 0.000 0.617 107 I N 1.606 122.419 120.570 0.405 0.000 4.892 107 I HA -0.419 3.751 4.170 -0.000 0.000 0.038 107 I C 1.602 177.821 176.117 0.169 0.000 0.635 107 I CA 2.900 64.395 61.300 0.326 0.000 0.293 107 I CB -1.294 36.923 38.000 0.361 0.000 0.366 107 I HN 0.546 nan 8.210 nan 0.000 0.150 108 N N 0.933 119.801 118.700 0.280 0.000 1.643 108 N HA -0.343 4.396 4.740 -0.000 0.000 0.123 108 N C 1.463 177.128 175.510 0.257 0.000 0.476 108 N CA 3.041 56.288 53.050 0.329 0.000 0.796 108 N CB -0.928 37.800 38.487 0.401 0.000 0.712 108 N HN 0.843 nan 8.380 nan 0.000 1.360 109 E N -0.757 119.591 120.200 0.247 0.000 2.060 109 E HA 0.129 4.479 4.350 -0.000 0.000 0.189 109 E C 1.799 178.572 176.600 0.288 0.000 0.974 109 E CA 0.122 56.691 56.400 0.282 0.000 0.808 109 E CB -0.432 29.378 29.700 0.184 0.000 0.768 109 E HN 0.290 nan 8.360 nan 0.000 0.453 110 F N 1.474 121.386 119.950 -0.064 0.000 2.079 110 F HA -0.380 4.147 4.527 -0.000 0.000 0.296 110 F C 2.141 177.837 175.800 -0.175 0.000 1.084 110 F CA 1.843 59.681 58.000 -0.270 0.000 1.236 110 F CB -0.584 37.964 39.000 -0.753 0.000 0.984 110 F HN 0.077 nan 8.300 nan 0.000 0.488 111 A N 0.094 122.888 122.820 -0.043 0.000 1.902 111 A HA -0.263 4.057 4.320 -0.000 0.000 0.217 111 A C 2.095 179.639 177.584 -0.066 0.000 1.181 111 A CA 2.173 54.138 52.037 -0.121 0.000 0.623 111 A CB -0.784 18.056 19.000 -0.266 0.000 0.818 111 A HN 0.594 nan 8.150 nan 0.000 0.443 112 K N -2.420 118.007 120.400 0.046 0.000 2.366 112 K HA -0.111 4.208 4.320 -0.000 0.000 0.198 112 K C 1.754 178.310 176.600 -0.073 0.000 1.044 112 K CA 0.988 57.319 56.287 0.073 0.000 0.973 112 K CB -0.329 32.307 32.500 0.226 0.000 0.767 112 K HN 0.562 nan 8.250 nan 0.000 0.475 113 W N 1.508 122.485 121.300 -0.538 0.000 2.409 113 W HA -0.087 4.572 4.660 -0.000 0.000 0.299 113 W C 1.579 177.683 176.519 -0.691 0.000 1.203 113 W CA 0.833 57.588 57.345 -0.983 0.000 1.298 113 W CB -0.307 28.285 29.460 -1.445 0.000 1.127 113 W HN 0.106 nan 8.180 nan 0.000 0.528 114 C N 0.991 119.944 119.300 -0.579 0.000 2.425 114 C HA -0.137 4.322 4.460 -0.000 0.000 0.277 114 C C 2.713 177.456 174.990 -0.411 0.000 1.280 114 C CA 0.946 59.630 59.018 -0.557 0.000 1.744 114 C CB -1.008 26.500 27.740 -0.387 0.000 1.989 114 C HN 0.224 nan 8.230 nan 0.000 0.491 115 K N 1.225 121.455 120.400 -0.284 0.000 2.063 115 K HA -0.138 4.182 4.320 -0.000 0.000 0.208 115 K C 1.913 178.370 176.600 -0.237 0.000 1.048 115 K CA 1.387 57.562 56.287 -0.187 0.000 0.928 115 K CB -0.329 32.120 32.500 -0.085 0.000 0.713 115 K HN 0.567 nan 8.250 nan 0.000 0.442 116 K N 0.782 120.985 120.400 -0.328 0.000 2.288 116 K HA -0.056 4.263 4.320 -0.000 0.000 0.201 116 K C 1.727 178.070 176.600 -0.428 0.000 1.048 116 K CA 1.001 57.091 56.287 -0.328 0.000 0.956 116 K CB 0.131 32.444 32.500 -0.312 0.000 0.746 116 K HN 0.077 nan 8.250 nan 0.000 0.461 117 V N -1.825 117.719 119.914 -0.617 0.000 3.542 117 V HA 0.156 4.275 4.120 -0.000 0.000 0.296 117 V C -0.348 175.524 176.094 -0.371 0.000 1.364 117 V CA -0.489 61.462 62.300 -0.582 0.000 1.118 117 V CB -0.651 30.614 31.823 -0.930 0.000 0.972 117 V HN 0.266 nan 8.190 nan 0.000 0.430 118 N N 0.857 119.384 118.700 -0.290 0.000 2.740 118 N HA -0.160 4.580 4.740 -0.000 0.000 0.248 118 N C 0.076 175.488 175.510 -0.163 0.000 1.062 118 N CA 1.229 54.169 53.050 -0.184 0.000 0.704 118 N CB -1.330 37.076 38.487 -0.135 0.000 0.968 118 N HN 1.089 nan 8.380 nan 0.000 0.547 119 A N -0.181 122.518 122.820 -0.203 0.000 2.380 119 A HA 0.671 4.991 4.320 -0.000 0.000 0.315 119 A C 0.007 177.524 177.584 -0.111 0.000 1.101 119 A CA -0.634 51.314 52.037 -0.148 0.000 0.771 119 A CB 1.772 20.660 19.000 -0.186 0.000 1.287 119 A HN 0.182 nan 8.150 nan 0.000 0.436 120 E N 0.508 120.675 120.200 -0.054 0.000 2.248 120 E HA 0.466 4.816 4.350 -0.000 0.000 0.272 120 E C -0.834 175.759 176.600 -0.012 0.000 1.008 120 E CA -0.442 55.940 56.400 -0.030 0.000 0.856 120 E CB 1.607 31.304 29.700 -0.005 0.000 1.120 120 E HN 0.570 nan 8.360 nan 0.000 0.397 121 I N 2.270 122.832 120.570 -0.014 0.000 2.428 121 I HA 0.141 4.311 4.170 -0.000 0.000 0.289 121 I C 0.029 176.113 176.117 -0.054 0.000 1.019 121 I CA -0.083 61.224 61.300 0.012 0.000 1.351 121 I CB 0.756 38.755 38.000 -0.003 0.000 1.412 121 I HN 0.370 nan 8.210 nan 0.000 0.513 122 M N 7.814 127.406 119.600 -0.014 0.000 2.055 122 M HA 0.360 4.840 4.480 -0.000 0.000 0.346 122 M C -0.819 175.414 176.300 -0.111 0.000 1.074 122 M CA -0.753 54.498 55.300 -0.083 0.000 1.009 122 M CB 0.847 33.438 32.600 -0.016 0.000 1.423 122 M HN 0.519 nan 8.290 nan 0.000 0.410 123 M N 4.923 124.303 119.600 -0.367 0.000 2.146 123 M HA 0.565 5.045 4.480 -0.000 0.000 0.357 123 M C -0.775 175.465 176.300 -0.100 0.000 1.261 123 M CA 0.096 55.185 55.300 -0.352 0.000 1.106 123 M CB 1.038 33.084 32.600 -0.924 0.000 1.612 123 M HN 0.684 nan 8.290 nan 0.000 0.470 124 A N 5.161 127.995 122.820 0.023 0.000 2.301 124 A HA 0.688 5.008 4.320 -0.000 0.000 0.312 124 A C -0.675 177.012 177.584 0.171 0.000 1.182 124 A CA -0.684 51.422 52.037 0.115 0.000 0.826 124 A CB 0.405 19.454 19.000 0.081 0.000 1.134 124 A HN 1.010 nan 8.150 nan 0.000 0.501 125 V N 0.820 120.865 119.914 0.219 0.000 2.713 125 V HA 0.500 4.620 4.120 -0.000 0.000 0.307 125 V C 0.217 176.389 176.094 0.130 0.000 1.052 125 V CA -1.226 61.190 62.300 0.194 0.000 0.967 125 V CB 1.568 33.506 31.823 0.192 0.000 1.019 125 V HN 0.819 nan 8.190 nan 0.000 0.459 126 N N 2.889 121.641 118.700 0.085 0.000 2.406 126 N HA 0.230 4.970 4.740 -0.000 0.000 0.265 126 N C -0.072 175.440 175.510 0.004 0.000 1.203 126 N CA 0.051 53.104 53.050 0.006 0.000 0.945 126 N CB 0.291 38.703 38.487 -0.125 0.000 1.165 126 N HN 0.852 nan 8.380 nan 0.000 0.485 127 L N 2.454 123.702 121.223 0.042 0.000 3.014 127 L HA 0.324 4.664 4.340 -0.000 0.000 0.263 127 L C 1.681 178.579 176.870 0.046 0.000 1.207 127 L CA -0.272 54.605 54.840 0.061 0.000 1.017 127 L CB 0.526 42.676 42.059 0.152 0.000 1.360 127 L HN 0.564 nan 8.230 nan 0.000 0.560 128 G N 0.383 109.184 108.800 0.001 0.000 2.508 128 G HA2 -0.137 3.822 3.960 -0.000 0.000 0.212 128 G HA3 -0.137 3.822 3.960 -0.000 0.000 0.212 128 G C 1.396 176.283 174.900 -0.022 0.000 1.206 128 G CA 1.231 46.326 45.100 -0.008 0.000 0.822 128 G HN 0.328 nan 8.290 nan 0.000 0.550 129 T N -1.823 112.692 114.554 -0.065 0.000 3.069 129 T HA 0.441 4.791 4.350 -0.000 0.000 0.252 129 T C 0.976 175.629 174.700 -0.077 0.000 1.053 129 T CA -0.332 61.736 62.100 -0.053 0.000 0.964 129 T CB 0.424 69.275 68.868 -0.029 0.000 1.005 129 T HN 0.150 nan 8.240 nan 0.000 0.532 130 R N -0.487 119.944 120.500 -0.115 0.000 2.930 130 R HA 0.774 5.114 4.340 -0.000 0.000 0.257 130 R C 0.146 176.422 176.300 -0.040 0.000 1.107 130 R CA -0.914 55.130 56.100 -0.092 0.000 0.999 130 R CB 1.779 31.975 30.300 -0.173 0.000 1.209 130 R HN 0.237 nan 8.270 nan 0.000 0.486 131 G N -0.315 108.470 108.800 -0.025 0.000 3.195 131 G HA2 0.298 4.258 3.960 -0.000 0.000 0.217 131 G HA3 0.298 4.258 3.960 -0.000 0.000 0.217 131 G C 0.723 175.606 174.900 -0.028 0.000 1.166 131 G CA -0.635 44.451 45.100 -0.023 0.000 0.812 131 G HN 0.441 nan 8.290 nan 0.000 0.617 132 I N 1.210 121.754 120.570 -0.043 0.000 2.099 132 I HA -0.188 3.982 4.170 -0.000 0.000 0.239 132 I C 3.140 179.222 176.117 -0.058 0.000 1.066 132 I CA 2.231 63.494 61.300 -0.061 0.000 1.324 132 I CB -0.388 37.568 38.000 -0.073 0.000 1.037 132 I HN 0.463 nan 8.210 nan 0.000 0.401 133 S N 0.278 115.956 115.700 -0.038 0.000 2.399 133 S HA -0.188 4.281 4.470 -0.000 0.000 0.231 133 S C 1.597 176.180 174.600 -0.029 0.000 1.022 133 S CA 1.357 59.539 58.200 -0.031 0.000 0.983 133 S CB -0.548 62.650 63.200 -0.002 0.000 0.803 133 S HN 0.412 nan 8.310 nan 0.000 0.480 134 D N 2.278 122.683 120.400 0.007 0.000 2.149 134 D HA 0.069 4.709 4.640 -0.000 0.000 0.201 134 D C 2.278 178.597 176.300 0.032 0.000 0.972 134 D CA 1.293 55.341 54.000 0.081 0.000 0.835 134 D CB -0.467 40.395 40.800 0.103 0.000 0.966 134 D HN 0.594 nan 8.370 nan 0.000 0.476 135 A N 0.691 123.488 122.820 -0.039 0.000 1.930 135 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 135 A C 2.538 179.993 177.584 -0.214 0.000 1.175 135 A CA 0.929 52.902 52.037 -0.106 0.000 0.627 135 A CB -0.850 18.101 19.000 -0.082 0.000 0.815 135 A HN 0.298 nan 8.150 nan 0.000 0.443 136 C N -0.170 119.023 119.300 -0.178 0.000 2.429 136 C HA -0.091 4.368 4.460 -0.000 0.000 0.277 136 C C 2.673 177.521 174.990 -0.236 0.000 1.262 136 C CA 1.139 60.038 59.018 -0.198 0.000 1.733 136 C CB -1.422 26.238 27.740 -0.133 0.000 2.010 136 C HN 0.650 nan 8.230 nan 0.000 0.483 137 N N 1.099 119.633 118.700 -0.278 0.000 2.069 137 N HA -0.111 4.628 4.740 -0.000 0.000 0.191 137 N C 1.470 176.695 175.510 -0.474 0.000 1.031 137 N CA 1.026 53.760 53.050 -0.526 0.000 0.852 137 N CB -0.728 37.396 38.487 -0.606 0.000 1.018 137 N HN 0.359 nan 8.380 nan 0.000 0.423 138 L N 0.660 121.521 121.223 -0.602 0.000 2.093 138 L HA 0.019 4.359 4.340 -0.000 0.000 0.208 138 L C 1.969 178.674 176.870 -0.274 0.000 1.085 138 L CA 1.107 55.411 54.840 -0.893 0.000 0.755 138 L CB -0.802 40.684 42.059 -0.955 0.000 0.904 138 L HN 0.112 nan 8.230 nan 0.000 0.435 139 L N -0.307 120.711 121.223 -0.341 0.000 2.056 139 L HA -0.187 4.153 4.340 -0.000 0.000 0.207 139 L C 2.468 179.299 176.870 -0.064 0.000 1.078 139 L CA 2.026 56.637 54.840 -0.382 0.000 0.749 139 L CB -0.816 40.842 42.059 -0.668 0.000 0.901 139 L HN 0.517 nan 8.230 nan 0.000 0.433 140 E N -1.567 118.601 120.200 -0.054 0.000 2.051 140 E HA -0.321 4.029 4.350 -0.000 0.000 0.192 140 E C 2.250 178.962 176.600 0.187 0.000 0.991 140 E CA 1.564 58.007 56.400 0.073 0.000 0.799 140 E CB -0.448 29.280 29.700 0.046 0.000 0.748 140 E HN 0.615 nan 8.360 nan 0.000 0.449 141 Y N 0.633 120.971 120.300 0.062 0.000 2.114 141 Y HA -0.321 4.229 4.550 -0.000 0.000 0.282 141 Y C 2.319 178.322 175.900 0.173 0.000 1.165 141 Y CA 2.050 60.236 58.100 0.143 0.000 1.148 141 Y CB -0.404 38.073 38.460 0.027 0.000 0.972 141 Y HN 0.213 nan 8.280 nan 0.000 0.504 142 C N -0.287 119.268 119.300 0.425 0.000 2.492 142 C HA 0.005 4.465 4.460 -0.000 0.000 0.279 142 C C 2.090 177.265 174.990 0.308 0.000 1.335 142 C CA 1.150 60.457 59.018 0.481 0.000 1.734 142 C CB -0.944 27.171 27.740 0.625 0.000 2.027 142 C HN 0.589 nan 8.230 nan 0.000 0.496 143 N N -1.554 117.303 118.700 0.262 0.000 2.407 143 N HA 0.042 4.782 4.740 -0.000 0.000 0.182 143 N C 0.484 176.069 175.510 0.124 0.000 1.079 143 N CA 0.193 53.362 53.050 0.198 0.000 0.882 143 N CB -0.306 38.309 38.487 0.214 0.000 1.106 143 N HN 0.529 nan 8.380 nan 0.000 0.461 144 H N 1.691 120.791 119.070 0.051 0.000 2.722 144 H HA 0.091 4.647 4.556 -0.000 0.000 0.328 144 H C -1.552 173.779 175.328 0.005 0.000 1.067 144 H CA -1.207 54.857 56.048 0.027 0.000 1.447 144 H CB 1.656 31.436 29.762 0.031 0.000 1.469 144 H HN -0.018 nan 8.280 nan 0.000 0.544 145 P HA -0.028 nan 4.420 nan 0.000 0.215 145 P C 0.115 177.414 177.300 -0.003 0.000 1.157 145 P CA 1.395 64.429 63.100 -0.111 0.000 0.868 145 P CB 0.395 31.990 31.700 -0.174 0.000 0.788 146 G N -5.094 103.772 108.800 0.110 0.000 2.313 146 G HA2 0.410 4.370 3.960 -0.000 0.000 0.296 146 G HA3 0.410 4.370 3.960 -0.000 0.000 0.296 146 G C -0.103 174.898 174.900 0.169 0.000 1.356 146 G CA 0.248 45.420 45.100 0.120 0.000 0.833 146 G HN 0.353 nan 8.290 nan 0.000 0.552 147 G N -1.575 107.276 108.800 0.086 0.000 2.132 147 G HA2 0.276 4.235 3.960 -0.000 0.000 0.234 147 G HA3 0.276 4.235 3.960 -0.000 0.000 0.234 147 G C 0.481 175.403 174.900 0.036 0.000 0.989 147 G CA 1.334 46.472 45.100 0.064 0.000 0.676 147 G HN 2.444 nan 8.290 nan 0.000 0.522 148 S N -1.916 113.791 115.700 0.012 0.000 2.651 148 S HA 0.727 5.197 4.470 -0.000 0.000 0.279 148 S C 0.924 175.507 174.600 -0.028 0.000 1.148 148 S CA 0.235 58.413 58.200 -0.036 0.000 0.837 148 S CB 1.964 65.083 63.200 -0.135 0.000 1.138 148 S HN 0.365 nan 8.310 nan 0.000 0.478 149 K N -0.121 120.252 120.400 -0.044 0.000 2.015 149 K HA -0.203 4.117 4.320 -0.000 0.000 0.216 149 K C 1.246 177.739 176.600 -0.178 0.000 1.052 149 K CA 2.217 58.415 56.287 -0.149 0.000 0.937 149 K CB -0.486 31.869 32.500 -0.242 0.000 0.719 149 K HN 0.734 nan 8.250 nan 0.000 0.446 150 Y N 0.256 120.608 120.300 0.087 0.000 2.448 150 Y HA -0.043 4.507 4.550 -0.000 0.000 0.289 150 Y C 2.687 178.625 175.900 0.064 0.000 1.114 150 Y CA 0.940 59.157 58.100 0.196 0.000 1.235 150 Y CB 0.131 38.773 38.460 0.304 0.000 1.045 150 Y HN 0.265 nan 8.280 nan 0.000 0.554 151 S N -0.550 115.226 115.700 0.126 0.000 2.371 151 S HA -0.155 4.315 4.470 -0.000 0.000 0.224 151 S C 1.471 176.029 174.600 -0.070 0.000 1.029 151 S CA 1.410 59.623 58.200 0.022 0.000 0.978 151 S CB -0.409 62.875 63.200 0.140 0.000 0.833 151 S HN 0.276 nan 8.310 nan 0.000 0.466 152 D N 1.187 121.560 120.400 -0.046 0.000 2.178 152 D HA 0.017 4.657 4.640 -0.000 0.000 0.201 152 D C 1.792 178.006 176.300 -0.144 0.000 0.980 152 D CA 0.833 54.787 54.000 -0.076 0.000 0.842 152 D CB -0.362 40.405 40.800 -0.054 0.000 0.948 152 D HN 0.407 nan 8.370 nan 0.000 0.472 153 M N -0.015 119.488 119.600 -0.161 0.000 2.117 153 M HA -0.148 4.332 4.480 -0.000 0.000 0.262 153 M C 2.205 178.194 176.300 -0.518 0.000 1.065 153 M CA 1.232 56.369 55.300 -0.271 0.000 1.114 153 M CB 0.189 32.795 32.600 0.009 0.000 1.361 153 M HN -0.143 nan 8.290 nan 0.000 0.408 154 R N 0.504 120.675 120.500 -0.549 0.000 2.081 154 R HA -0.137 4.203 4.340 -0.000 0.000 0.235 154 R C 1.895 178.066 176.300 -0.214 0.000 1.131 154 R CA 1.674 57.420 56.100 -0.591 0.000 0.960 154 R CB -0.453 29.321 30.300 -0.876 0.000 0.856 154 R HN 0.420 nan 8.270 nan 0.000 0.436 155 I N 0.958 121.417 120.570 -0.185 0.000 2.208 155 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 155 I C 2.591 178.681 176.117 -0.045 0.000 1.097 155 I CA 1.445 62.693 61.300 -0.087 0.000 1.363 155 I CB -0.261 37.697 38.000 -0.069 0.000 1.051 155 I HN 0.198 nan 8.210 nan 0.000 0.413 156 K N 0.450 120.794 120.400 -0.092 0.000 2.147 156 K HA -0.179 4.141 4.320 -0.000 0.000 0.205 156 K C 1.838 178.495 176.600 0.094 0.000 1.049 156 K CA 1.450 57.716 56.287 -0.035 0.000 0.936 156 K CB -0.139 32.307 32.500 -0.090 0.000 0.722 156 K HN 0.491 nan 8.250 nan 0.000 0.446 157 H N -1.955 117.179 119.070 0.105 0.000 2.556 157 H HA 0.086 4.641 4.556 -0.000 0.000 0.268 157 H C 0.848 176.259 175.328 0.138 0.000 0.996 157 H CA 0.133 56.275 56.048 0.157 0.000 1.157 157 H CB 0.581 30.506 29.762 0.272 0.000 1.355 157 H HN 0.546 nan 8.280 nan 0.000 0.597 158 G N 0.410 109.326 108.800 0.194 0.000 2.184 158 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.206 158 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.206 158 G C -0.108 174.861 174.900 0.115 0.000 0.995 158 G CA 0.012 45.196 45.100 0.141 0.000 0.651 158 G HN 0.171 nan 8.290 nan 0.000 0.511 159 V N 2.330 122.302 119.914 0.097 0.000 2.275 159 V HA 0.418 4.538 4.120 -0.000 0.000 0.272 159 V C 1.388 177.459 176.094 -0.039 0.000 1.028 159 V CA -0.347 61.975 62.300 0.038 0.000 0.810 159 V CB 1.348 33.194 31.823 0.038 0.000 1.043 159 V HN 0.199 nan 8.190 nan 0.000 0.453 160 K N 2.125 122.513 120.400 -0.021 0.000 2.001 160 K HA 0.013 4.333 4.320 -0.000 0.000 0.208 160 K C 0.770 177.336 176.600 -0.057 0.000 1.048 160 K CA 1.046 57.314 56.287 -0.032 0.000 0.932 160 K CB 0.396 32.891 32.500 -0.009 0.000 0.715 160 K HN 0.565 nan 8.250 nan 0.000 0.437 161 E N 2.116 122.282 120.200 -0.057 0.000 2.313 161 E HA 0.172 4.522 4.350 -0.000 0.000 0.276 161 E C -2.249 174.273 176.600 -0.130 0.000 1.031 161 E CA -2.422 53.940 56.400 -0.064 0.000 0.857 161 E CB 0.789 30.472 29.700 -0.029 0.000 1.040 161 E HN 0.223 nan 8.360 nan 0.000 0.408 162 P HA 0.021 nan 4.420 nan 0.000 0.269 162 P C 0.541 177.797 177.300 -0.074 0.000 1.209 162 P CA -0.020 63.011 63.100 -0.116 0.000 0.776 162 P CB 0.673 32.361 31.700 -0.019 0.000 0.876 163 H N 0.969 120.108 119.070 0.114 0.000 2.457 163 H HA -0.065 4.490 4.556 -0.000 0.000 0.294 163 H C 0.347 175.738 175.328 0.106 0.000 1.064 163 H CA 0.772 56.889 56.048 0.114 0.000 1.330 163 H CB -0.472 29.378 29.762 0.146 0.000 1.395 163 H HN 0.463 nan 8.280 nan 0.000 0.541 164 N N 0.396 119.235 118.700 0.232 0.000 2.696 164 N HA -0.179 4.561 4.740 -0.000 0.000 0.256 164 N C -0.721 174.916 175.510 0.211 0.000 1.031 164 N CA 0.341 53.511 53.050 0.199 0.000 0.730 164 N CB -1.813 36.749 38.487 0.125 0.000 0.894 164 N HN 0.359 nan 8.380 nan 0.000 0.544 165 I N 0.707 121.439 120.570 0.270 0.000 2.517 165 I HA -0.067 4.102 4.170 -0.000 0.000 0.285 165 I C 1.616 177.910 176.117 0.295 0.000 1.106 165 I CA 0.219 61.602 61.300 0.138 0.000 1.402 165 I CB 0.666 38.553 38.000 -0.188 0.000 1.399 165 I HN 0.112 nan 8.210 nan 0.000 0.535 166 K N 4.225 124.726 120.400 0.169 0.000 2.166 166 K HA 0.148 4.468 4.320 -0.000 0.000 0.201 166 K C -0.111 176.665 176.600 0.293 0.000 1.052 166 K CA 0.666 57.091 56.287 0.231 0.000 0.969 166 K CB 0.364 32.953 32.500 0.148 0.000 0.761 166 K HN 0.377 nan 8.250 nan 0.000 0.459 167 V N 1.189 121.198 119.914 0.158 0.000 2.417 167 V HA 0.296 4.416 4.120 -0.000 0.000 0.291 167 V C -1.322 174.816 176.094 0.073 0.000 1.024 167 V CA -0.845 61.574 62.300 0.198 0.000 0.861 167 V CB 0.936 32.823 31.823 0.106 0.000 0.985 167 V HN 0.158 nan 8.190 nan 0.000 0.436 168 W N 2.600 123.974 121.300 0.122 0.000 2.736 168 W HA 0.623 5.282 4.660 -0.000 0.000 0.335 168 W C -0.524 176.064 176.519 0.115 0.000 1.059 168 W CA -0.559 56.850 57.345 0.106 0.000 1.226 168 W CB 1.691 31.202 29.460 0.086 0.000 1.416 168 W HN 0.443 nan 8.180 nan 0.000 0.505 169 C N 3.681 123.157 119.300 0.293 0.000 2.285 169 C HA 0.407 4.866 4.460 -0.000 0.000 0.335 169 C C 0.688 175.832 174.990 0.258 0.000 1.267 169 C CA -0.796 58.362 59.018 0.234 0.000 1.762 169 C CB -0.656 27.171 27.740 0.144 0.000 2.365 169 C HN 0.461 nan 8.230 nan 0.000 0.527 170 L N 5.049 126.431 121.223 0.264 0.000 2.382 170 L HA 0.399 4.739 4.340 -0.000 0.000 0.259 170 L C 1.213 178.275 176.870 0.320 0.000 1.291 170 L CA 0.693 55.691 54.840 0.263 0.000 1.176 170 L CB -1.302 40.894 42.059 0.228 0.000 1.373 170 L HN 1.141 nan 8.230 nan 0.000 0.426 171 G N 1.986 110.924 108.800 0.230 0.000 2.741 171 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.222 171 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.222 171 G C -0.791 174.187 174.900 0.130 0.000 1.364 171 G CA -0.450 44.755 45.100 0.175 0.000 0.866 171 G HN 0.592 nan 8.290 nan 0.000 0.555 172 N N -0.520 118.227 118.700 0.080 0.000 2.362 172 N HA 0.712 5.451 4.740 -0.000 0.000 0.299 172 N C 0.500 176.004 175.510 -0.010 0.000 1.170 172 N CA 0.552 53.652 53.050 0.084 0.000 0.825 172 N CB 1.522 40.089 38.487 0.133 0.000 1.299 172 N HN 1.698 nan 8.380 nan 0.000 0.502 173 A N 1.889 124.707 122.820 -0.002 0.000 2.583 173 A HA 0.001 4.321 4.320 -0.000 0.000 0.249 173 A C 0.484 177.943 177.584 -0.208 0.000 1.035 173 A CA 0.861 52.789 52.037 -0.182 0.000 0.777 173 A CB -0.534 18.366 19.000 -0.168 0.000 0.942 173 A HN 0.825 nan 8.150 nan 0.000 0.516 174 M N 1.874 121.274 119.600 -0.335 0.000 2.596 174 M HA 0.073 4.553 4.480 -0.000 0.000 0.364 174 M C 0.460 176.601 176.300 -0.265 0.000 1.158 174 M CA 0.027 55.186 55.300 -0.234 0.000 0.940 174 M CB 0.490 33.017 32.600 -0.123 0.000 1.388 174 M HN 0.886 nan 8.290 nan 0.000 0.522 175 D N -0.700 119.361 120.400 -0.565 0.000 2.349 175 D HA 0.043 4.683 4.640 -0.000 0.000 0.215 175 D C 0.834 176.945 176.300 -0.315 0.000 1.016 175 D CA 0.205 53.928 54.000 -0.463 0.000 0.870 175 D CB -0.138 40.106 40.800 -0.928 0.000 0.917 175 D HN 0.209 nan 8.370 nan 0.000 0.524 176 G N 1.605 109.981 108.800 -0.706 0.000 2.390 176 G HA2 0.353 4.313 3.960 -0.000 0.000 0.270 176 G HA3 0.353 4.313 3.960 -0.000 0.000 0.270 176 G C -1.583 172.596 174.900 -1.201 0.000 1.211 176 G CA -1.188 42.965 45.100 -1.578 0.000 0.842 176 G HN -0.080 nan 8.290 nan 0.000 0.519 177 P HA -0.023 nan 4.420 nan 0.000 0.242 177 P C 0.681 177.819 177.300 -0.270 0.000 1.197 177 P CA 0.475 63.255 63.100 -0.532 0.000 0.765 177 P CB 0.021 31.556 31.700 -0.275 0.000 0.936 178 W N -1.132 120.102 121.300 -0.110 0.000 3.211 178 W HA 0.376 5.036 4.660 -0.000 0.000 0.292 178 W C 0.542 177.002 176.519 -0.098 0.000 1.268 178 W CA -0.429 56.856 57.345 -0.100 0.000 1.702 178 W CB -0.719 28.680 29.460 -0.102 0.000 1.092 178 W HN -0.177 nan 8.180 nan 0.000 0.643 179 Q N 1.809 121.400 119.800 -0.350 0.000 2.271 179 Q HA 0.321 4.660 4.340 -0.000 0.000 0.258 179 Q C -0.246 175.705 176.000 -0.082 0.000 0.936 179 Q CA -0.752 54.956 55.803 -0.159 0.000 0.909 179 Q CB 2.803 31.407 28.738 -0.224 0.000 1.253 179 Q HN 0.003 nan 8.270 nan 0.000 0.440 180 V N 3.679 123.577 119.914 -0.027 0.000 2.585 180 V HA 0.315 4.435 4.120 -0.000 0.000 0.296 180 V C 0.788 176.884 176.094 0.003 0.000 1.035 180 V CA 1.754 64.054 62.300 -0.001 0.000 1.084 180 V CB 0.312 32.143 31.823 0.014 0.000 0.953 180 V HN 1.070 nan 8.190 nan 0.000 0.483 181 G N 4.043 112.855 108.800 0.021 0.000 2.182 181 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.248 181 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.248 181 G C 0.269 175.182 174.900 0.023 0.000 1.042 181 G CA 0.446 45.558 45.100 0.019 0.000 0.775 181 G HN 1.660 nan 8.290 nan 0.000 0.501 182 H N 0.937 119.969 119.070 -0.063 0.000 3.034 182 H HA 0.330 4.886 4.556 -0.000 0.000 0.324 182 H C -0.104 175.224 175.328 -0.001 0.000 1.015 182 H CA 0.581 56.580 56.048 -0.081 0.000 1.429 182 H CB 0.535 30.215 29.762 -0.138 0.000 1.429 182 H HN 0.198 nan 8.280 nan 0.000 0.585 183 K N 3.786 123.874 120.400 -0.520 0.000 2.267 183 K HA 0.195 4.514 4.320 -0.000 0.000 0.246 183 K C 0.188 176.585 176.600 -0.338 0.000 0.954 183 K CA -0.826 55.274 56.287 -0.312 0.000 0.824 183 K CB 1.944 34.452 32.500 0.012 0.000 1.167 183 K HN 0.771 nan 8.250 nan 0.000 0.431 184 T N -1.873 112.588 114.554 -0.155 0.000 2.849 184 T HA 0.145 4.494 4.350 -0.000 0.000 0.284 184 T C 1.793 176.452 174.700 -0.068 0.000 1.004 184 T CA -0.621 61.481 62.100 0.004 0.000 1.021 184 T CB 0.414 69.285 68.868 0.004 0.000 1.013 184 T HN 0.698 nan 8.240 nan 0.000 0.527 185 M N 0.111 119.642 119.600 -0.115 0.000 2.149 185 M HA -0.096 4.384 4.480 -0.000 0.000 0.261 185 M C 1.103 177.200 176.300 -0.339 0.000 1.064 185 M CA 1.806 56.762 55.300 -0.572 0.000 1.102 185 M CB -0.749 31.682 32.600 -0.281 0.000 1.369 185 M HN 0.505 nan 8.290 nan 0.000 0.408 186 D N 1.017 121.336 120.400 -0.135 0.000 2.149 186 D HA -0.085 4.555 4.640 -0.000 0.000 0.201 186 D C 1.913 178.041 176.300 -0.287 0.000 0.972 186 D CA 1.310 55.248 54.000 -0.103 0.000 0.835 186 D CB -0.152 40.656 40.800 0.014 0.000 0.966 186 D HN 0.606 nan 8.370 nan 0.000 0.476 187 E N -0.056 120.030 120.200 -0.191 0.000 2.051 187 E HA -0.197 4.153 4.350 -0.000 0.000 0.192 187 E C 2.005 178.493 176.600 -0.186 0.000 0.991 187 E CA 0.776 57.073 56.400 -0.172 0.000 0.799 187 E CB -0.143 29.500 29.700 -0.095 0.000 0.748 187 E HN 0.279 nan 8.360 nan 0.000 0.449 188 Y N 0.987 121.116 120.300 -0.285 0.000 2.200 188 Y HA -0.091 4.459 4.550 -0.000 0.000 0.290 188 Y C 2.197 177.921 175.900 -0.294 0.000 1.137 188 Y CA 1.648 59.601 58.100 -0.245 0.000 1.163 188 Y CB -0.734 37.603 38.460 -0.205 0.000 0.988 188 Y HN -0.001 nan 8.280 nan 0.000 0.518 189 G N 0.888 109.374 108.800 -0.524 0.000 2.476 189 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.218 189 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.218 189 G C 1.839 176.327 174.900 -0.686 0.000 1.164 189 G CA 1.017 45.799 45.100 -0.531 0.000 0.768 189 G HN 0.252 nan 8.290 nan 0.000 0.560 190 R N -0.289 119.709 120.500 -0.836 0.000 2.066 190 R HA 0.051 4.391 4.340 -0.000 0.000 0.232 190 R C 2.517 178.583 176.300 -0.389 0.000 1.131 190 R CA 0.871 56.590 56.100 -0.634 0.000 0.955 190 R CB -0.953 29.018 30.300 -0.547 0.000 0.851 190 R HN 0.466 nan 8.270 nan 0.000 0.432 191 I N 1.044 121.402 120.570 -0.352 0.000 2.315 191 I HA -0.151 4.018 4.170 -0.000 0.000 0.248 191 I C 2.105 178.051 176.117 -0.285 0.000 1.117 191 I CA 1.159 62.309 61.300 -0.250 0.000 1.404 191 I CB -0.259 37.654 38.000 -0.144 0.000 1.071 191 I HN 0.105 nan 8.210 nan 0.000 0.419 192 A N -0.299 122.232 122.820 -0.482 0.000 1.898 192 A HA -0.254 4.065 4.320 -0.000 0.000 0.216 192 A C 2.368 179.803 177.584 -0.247 0.000 1.181 192 A CA 1.834 53.605 52.037 -0.443 0.000 0.620 192 A CB -0.819 17.699 19.000 -0.803 0.000 0.819 192 A HN 0.572 nan 8.150 nan 0.000 0.442 193 E N -0.432 119.626 120.200 -0.237 0.000 2.058 193 E HA -0.236 4.114 4.350 -0.000 0.000 0.194 193 E C 1.796 178.261 176.600 -0.225 0.000 0.997 193 E CA 1.451 57.767 56.400 -0.140 0.000 0.801 193 E CB -0.077 29.577 29.700 -0.077 0.000 0.746 193 E HN 0.530 nan 8.360 nan 0.000 0.450 194 E N -0.097 119.969 120.200 -0.222 0.000 2.107 194 E HA -0.088 4.262 4.350 -0.000 0.000 0.191 194 E C 2.195 178.678 176.600 -0.196 0.000 0.982 194 E CA 1.248 57.517 56.400 -0.219 0.000 0.809 194 E CB -0.485 29.110 29.700 -0.176 0.000 0.756 194 E HN 0.279 nan 8.360 nan 0.000 0.459 195 T N 1.516 115.972 114.554 -0.163 0.000 2.708 195 T HA -0.116 4.234 4.350 -0.000 0.000 0.266 195 T C 1.978 176.597 174.700 -0.134 0.000 1.037 195 T CA 1.614 63.636 62.100 -0.130 0.000 1.146 195 T CB -0.246 68.567 68.868 -0.091 0.000 0.865 195 T HN 0.270 nan 8.240 nan 0.000 0.435 196 A N 1.680 124.426 122.820 -0.123 0.000 1.902 196 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 196 A C 2.319 179.825 177.584 -0.130 0.000 1.181 196 A CA 1.712 53.703 52.037 -0.077 0.000 0.623 196 A CB -0.616 18.387 19.000 0.005 0.000 0.818 196 A HN 0.388 nan 8.150 nan 0.000 0.443 197 R N -0.460 119.852 120.500 -0.314 0.000 2.083 197 R HA -0.137 4.203 4.340 -0.000 0.000 0.237 197 R C 2.301 178.464 176.300 -0.228 0.000 1.137 197 R CA 1.534 57.353 56.100 -0.469 0.000 0.951 197 R CB -0.378 29.501 30.300 -0.702 0.000 0.851 197 R HN 0.463 nan 8.270 nan 0.000 0.434 198 A N 0.553 123.259 122.820 -0.191 0.000 1.929 198 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 198 A C 2.196 179.704 177.584 -0.127 0.000 1.176 198 A CA 1.205 53.159 52.037 -0.139 0.000 0.628 198 A CB -0.334 18.588 19.000 -0.130 0.000 0.816 198 A HN 0.318 nan 8.150 nan 0.000 0.444 199 M N -0.655 118.856 119.600 -0.148 0.000 2.117 199 M HA -0.129 4.351 4.480 -0.000 0.000 0.262 199 M C 1.893 178.112 176.300 -0.134 0.000 1.065 199 M CA 1.493 56.682 55.300 -0.185 0.000 1.114 199 M CB -0.261 32.191 32.600 -0.245 0.000 1.361 199 M HN 0.256 nan 8.290 nan 0.000 0.408 200 K N -0.170 120.185 120.400 -0.075 0.000 2.504 200 K HA 0.006 4.326 4.320 -0.000 0.000 0.195 200 K C 1.671 178.266 176.600 -0.008 0.000 1.036 200 K CA 0.708 56.984 56.287 -0.019 0.000 0.984 200 K CB 0.014 32.543 32.500 0.047 0.000 0.788 200 K HN 0.426 nan 8.250 nan 0.000 0.488 201 M N -0.119 119.464 119.600 -0.029 0.000 2.388 201 M HA -0.024 4.456 4.480 -0.000 0.000 0.265 201 M C 1.832 178.125 176.300 -0.011 0.000 1.088 201 M CA 1.165 56.455 55.300 -0.016 0.000 1.134 201 M CB 0.044 32.625 32.600 -0.031 0.000 1.384 201 M HN 0.096 nan 8.290 nan 0.000 0.447 202 I N -0.757 119.794 120.570 -0.032 0.000 2.277 202 I HA -0.095 4.075 4.170 -0.000 0.000 0.243 202 I C 0.445 176.574 176.117 0.021 0.000 1.094 202 I CA 0.818 62.113 61.300 -0.008 0.000 1.393 202 I CB 0.196 38.163 38.000 -0.054 0.000 1.078 202 I HN 0.103 nan 8.210 nan 0.000 0.417 203 D N -0.103 120.287 120.400 -0.016 0.000 2.402 203 D HA 0.205 4.844 4.640 -0.000 0.000 0.252 203 D C -2.122 174.182 176.300 0.008 0.000 1.294 203 D CA -1.881 52.123 54.000 0.006 0.000 0.948 203 D CB 1.721 42.524 40.800 0.004 0.000 1.202 203 D HN -0.144 nan 8.370 nan 0.000 0.561 204 P HA -0.042 nan 4.420 nan 0.000 0.229 204 P C 1.179 178.505 177.300 0.043 0.000 1.160 204 P CA 0.580 63.699 63.100 0.031 0.000 0.777 204 P CB 0.269 31.988 31.700 0.031 0.000 0.814 205 S N -0.571 115.160 115.700 0.051 0.000 2.527 205 S HA -0.004 4.466 4.470 -0.000 0.000 0.222 205 S C 1.025 175.684 174.600 0.099 0.000 0.985 205 S CA -0.351 57.890 58.200 0.067 0.000 0.921 205 S CB -1.355 61.885 63.200 0.067 0.000 0.772 205 S HN 0.210 nan 8.310 nan 0.000 0.529 206 I N -0.478 120.158 120.570 0.109 0.000 2.882 206 I HA 0.479 4.649 4.170 -0.000 0.000 0.286 206 I C -0.203 176.018 176.117 0.173 0.000 1.139 206 I CA -0.646 60.761 61.300 0.178 0.000 1.379 206 I CB 0.516 38.617 38.000 0.167 0.000 1.410 206 I HN 0.008 nan 8.210 nan 0.000 0.594 207 E N 4.375 124.728 120.200 0.254 0.000 2.212 207 E HA 0.648 4.998 4.350 -0.000 0.000 0.268 207 E C -1.316 175.477 176.600 0.322 0.000 0.902 207 E CA -0.819 55.732 56.400 0.252 0.000 0.779 207 E CB 2.636 32.537 29.700 0.336 0.000 1.172 207 E HN 0.497 nan 8.360 nan 0.000 0.409 208 L N 1.985 123.362 121.223 0.257 0.000 2.365 208 L HA 0.495 4.834 4.340 -0.000 0.000 0.273 208 L C -0.891 176.165 176.870 0.309 0.000 1.000 208 L CA -1.099 53.902 54.840 0.269 0.000 0.819 208 L CB 1.970 44.129 42.059 0.166 0.000 1.284 208 L HN 0.244 nan 8.230 nan 0.000 0.418 209 V N 2.217 122.325 119.914 0.323 0.000 2.370 209 V HA 0.609 4.728 4.120 -0.000 0.000 0.283 209 V C 0.353 176.606 176.094 0.265 0.000 1.023 209 V CA -0.597 61.892 62.300 0.316 0.000 0.857 209 V CB 1.442 33.422 31.823 0.262 0.000 0.985 209 V HN 0.838 nan 8.190 nan 0.000 0.443 210 A N 3.919 126.888 122.820 0.249 0.000 2.331 210 A HA 0.489 4.809 4.320 -0.000 0.000 0.283 210 A C 0.151 177.948 177.584 0.355 0.000 1.142 210 A CA -0.297 51.922 52.037 0.303 0.000 0.812 210 A CB 0.344 19.472 19.000 0.213 0.000 1.074 210 A HN 0.873 nan 8.150 nan 0.000 0.497 211 C N 2.618 122.208 119.300 0.484 0.000 2.632 211 C HA 0.525 4.985 4.460 -0.000 0.000 0.415 211 C C 1.511 176.747 174.990 0.410 0.000 1.332 211 C CA 0.217 59.404 59.018 0.280 0.000 1.874 211 C CB -0.386 27.358 27.740 0.008 0.000 2.596 211 C HN 1.004 nan 8.230 nan 0.000 0.590 212 G N 2.814 111.716 108.800 0.169 0.000 2.510 212 G HA2 0.452 4.412 3.960 -0.000 0.000 0.280 212 G HA3 0.452 4.412 3.960 -0.000 0.000 0.280 212 G C -0.101 174.650 174.900 -0.249 0.000 1.386 212 G CA -0.279 44.931 45.100 0.183 0.000 1.047 212 G HN 0.752 nan 8.290 nan 0.000 0.527 213 S N -0.910 114.643 115.700 -0.245 0.000 2.584 213 S HA 0.172 4.642 4.470 -0.000 0.000 0.270 213 S C 1.769 176.142 174.600 -0.379 0.000 1.346 213 S CA -0.160 57.767 58.200 -0.455 0.000 1.018 213 S CB 1.456 64.616 63.200 -0.068 0.000 0.899 213 S HN 0.546 nan 8.310 nan 0.000 0.542 214 S N 1.351 116.873 115.700 -0.297 0.000 2.359 214 S HA -0.047 4.423 4.470 -0.000 0.000 0.224 214 S C 0.991 175.600 174.600 0.015 0.000 1.035 214 S CA 1.099 59.278 58.200 -0.035 0.000 1.018 214 S CB -0.213 63.142 63.200 0.259 0.000 0.876 214 S HN 0.912 nan 8.310 nan 0.000 0.448 215 S N 0.128 115.779 115.700 -0.081 0.000 2.638 215 S HA 0.449 4.918 4.470 -0.000 0.000 0.274 215 S C 0.068 174.400 174.600 -0.447 0.000 1.157 215 S CA -0.956 57.108 58.200 -0.227 0.000 0.826 215 S CB 1.668 64.781 63.200 -0.145 0.000 1.139 215 S HN 0.281 nan 8.310 nan 0.000 0.474 216 K N -0.221 119.664 120.400 -0.859 0.000 2.439 216 K HA 0.060 4.379 4.320 -0.000 0.000 0.197 216 K C 0.112 176.430 176.600 -0.470 0.000 1.041 216 K CA 1.041 56.618 56.287 -1.183 0.000 0.970 216 K CB -0.335 31.279 32.500 -1.477 0.000 0.773 216 K HN 0.492 nan 8.250 nan 0.000 0.479 217 D N 0.602 120.834 120.400 -0.279 0.000 2.347 217 D HA 0.014 4.654 4.640 -0.000 0.000 0.213 217 D C 0.361 176.654 176.300 -0.011 0.000 0.985 217 D CA 0.384 54.323 54.000 -0.102 0.000 0.879 217 D CB 0.146 40.892 40.800 -0.090 0.000 0.919 217 D HN 0.193 nan 8.370 nan 0.000 0.526 218 M N 1.310 120.908 119.600 -0.003 0.000 2.252 218 M HA 0.036 4.516 4.480 -0.000 0.000 0.348 218 M C -1.451 174.919 176.300 0.117 0.000 1.334 218 M CA -1.413 53.920 55.300 0.055 0.000 1.071 218 M CB 0.400 33.014 32.600 0.022 0.000 1.763 218 M HN -0.249 nan 8.290 nan 0.000 0.452 219 P HA -0.083 nan 4.420 nan 0.000 0.222 219 P C 1.044 178.430 177.300 0.143 0.000 1.147 219 P CA 1.206 64.373 63.100 0.112 0.000 0.790 219 P CB -0.110 31.639 31.700 0.082 0.000 0.780 220 T N -5.105 109.547 114.554 0.163 0.000 3.129 220 T HA 0.053 4.402 4.350 -0.000 0.000 0.251 220 T C 0.291 175.151 174.700 0.267 0.000 1.117 220 T CA -0.346 61.880 62.100 0.209 0.000 1.034 220 T CB -0.958 68.065 68.868 0.260 0.000 0.968 220 T HN -0.073 nan 8.240 nan 0.000 0.526 221 F N 4.249 124.264 119.950 0.108 0.000 2.412 221 F HA 0.466 4.993 4.527 -0.000 0.000 0.348 221 F C -2.080 173.790 175.800 0.116 0.000 1.102 221 F CA -2.511 55.565 58.000 0.125 0.000 1.196 221 F CB 1.484 40.534 39.000 0.085 0.000 1.144 221 F HN -0.103 nan 8.300 nan 0.000 0.541 222 P HA 0.099 nan 4.420 nan 0.000 0.240 222 P C -0.154 177.037 177.300 -0.182 0.000 1.854 222 P CA 0.140 62.727 63.100 -0.856 0.000 1.081 222 P CB 0.708 31.689 31.700 -1.198 0.000 1.646 223 Q N -1.102 118.710 119.800 0.020 0.000 2.304 223 Q HA -0.025 4.315 4.340 -0.000 0.000 0.204 223 Q C 1.118 177.200 176.000 0.136 0.000 0.936 223 Q CA 0.018 55.864 55.803 0.072 0.000 0.878 223 Q CB -0.112 28.657 28.738 0.053 0.000 0.983 223 Q HN 0.115 nan 8.270 nan 0.000 0.516 224 W N 1.388 122.724 121.300 0.060 0.000 2.476 224 W HA -0.481 4.179 4.660 -0.000 0.000 0.346 224 W C 1.500 178.078 176.519 0.099 0.000 1.615 224 W CA 2.843 60.242 57.345 0.090 0.000 1.553 224 W CB -1.061 28.463 29.460 0.106 0.000 0.928 224 W HN 0.303 nan 8.180 nan 0.000 0.490 225 E N -0.149 120.272 120.200 0.367 0.000 2.070 225 E HA -0.151 4.198 4.350 -0.000 0.000 0.197 225 E C 2.241 178.912 176.600 0.119 0.000 1.004 225 E CA 2.318 58.866 56.400 0.247 0.000 0.805 225 E CB -1.023 28.786 29.700 0.183 0.000 0.744 225 E HN 0.370 nan 8.360 nan 0.000 0.451 226 A N 0.053 122.927 122.820 0.091 0.000 1.877 226 A HA -0.201 4.119 4.320 -0.000 0.000 0.216 226 A C 2.409 180.015 177.584 0.038 0.000 1.186 226 A CA 2.126 54.223 52.037 0.100 0.000 0.620 226 A CB -1.055 18.033 19.000 0.145 0.000 0.822 226 A HN 0.283 nan 8.150 nan 0.000 0.443 227 T N -0.205 114.351 114.554 0.002 0.000 2.674 227 T HA -0.132 4.218 4.350 -0.000 0.000 0.265 227 T C 1.911 176.610 174.700 -0.002 0.000 1.039 227 T CA 1.688 63.762 62.100 -0.043 0.000 1.150 227 T CB -0.542 68.307 68.868 -0.032 0.000 0.864 227 T HN 0.143 nan 8.240 nan 0.000 0.427 228 V N 1.570 121.451 119.914 -0.055 0.000 2.287 228 V HA -0.141 3.979 4.120 -0.000 0.000 0.248 228 V C 2.505 178.633 176.094 0.057 0.000 1.053 228 V CA 1.580 63.864 62.300 -0.028 0.000 1.027 228 V CB -0.705 31.070 31.823 -0.080 0.000 0.646 228 V HN 0.434 nan 8.190 nan 0.000 0.447 229 L N -0.168 121.094 121.223 0.065 0.000 2.141 229 L HA -0.163 4.176 4.340 -0.000 0.000 0.209 229 L C 2.329 179.276 176.870 0.129 0.000 1.094 229 L CA 1.580 56.486 54.840 0.109 0.000 0.763 229 L CB -0.609 41.533 42.059 0.139 0.000 0.908 229 L HN 0.374 nan 8.230 nan 0.000 0.437 230 D N -0.695 119.705 120.400 0.001 0.000 2.178 230 D HA -0.208 4.432 4.640 -0.000 0.000 0.201 230 D C 1.957 178.159 176.300 -0.163 0.000 0.980 230 D CA 1.499 55.416 54.000 -0.140 0.000 0.842 230 D CB 0.102 40.739 40.800 -0.272 0.000 0.948 230 D HN 0.244 nan 8.370 nan 0.000 0.472 231 Y N -0.053 120.232 120.300 -0.026 0.000 2.201 231 Y HA 0.244 4.794 4.550 -0.000 0.000 0.292 231 Y C 2.285 178.206 175.900 0.034 0.000 1.119 231 Y CA 1.198 59.282 58.100 -0.028 0.000 1.127 231 Y CB -0.323 38.081 38.460 -0.093 0.000 1.019 231 Y HN 0.001 nan 8.280 nan 0.000 0.514 232 A N -1.983 120.956 122.820 0.200 0.000 2.348 232 A HA 0.049 4.369 4.320 -0.000 0.000 0.224 232 A C 1.485 179.166 177.584 0.163 0.000 1.227 232 A CA -0.313 51.833 52.037 0.182 0.000 0.885 232 A CB -0.993 18.046 19.000 0.064 0.000 0.933 232 A HN 0.517 nan 8.150 nan 0.000 0.506 233 Y N 1.528 121.831 120.300 0.006 0.000 2.062 233 Y HA -0.329 4.220 4.550 -0.000 0.000 0.276 233 Y C 1.479 177.295 175.900 -0.139 0.000 1.189 233 Y CA 2.609 60.667 58.100 -0.069 0.000 1.130 233 Y CB 0.086 38.483 38.460 -0.105 0.000 0.959 233 Y HN 0.396 nan 8.280 nan 0.000 0.499 234 D N -1.903 118.463 120.400 -0.055 0.000 2.348 234 D HA -0.130 4.510 4.640 -0.000 0.000 0.216 234 D C 0.869 176.793 176.300 -0.627 0.000 0.970 234 D CA 1.179 54.937 54.000 -0.404 0.000 0.889 234 D CB -0.186 40.211 40.800 -0.672 0.000 0.912 234 D HN 0.520 nan 8.370 nan 0.000 0.524 235 Y N -0.671 119.618 120.300 -0.018 0.000 2.426 235 Y HA 0.142 4.691 4.550 -0.000 0.000 0.249 235 Y C 0.862 176.733 175.900 -0.048 0.000 1.103 235 Y CA -0.506 57.575 58.100 -0.032 0.000 1.256 235 Y CB 0.487 38.931 38.460 -0.028 0.000 1.208 235 Y HN -0.228 nan 8.280 nan 0.000 0.519 236 V N -2.749 117.176 119.914 0.018 0.000 2.975 236 V HA 0.543 4.663 4.120 -0.000 0.000 0.318 236 V C -0.075 175.929 176.094 -0.149 0.000 1.077 236 V CA -0.581 61.705 62.300 -0.024 0.000 1.000 236 V CB 2.341 34.163 31.823 -0.002 0.000 1.066 236 V HN -0.003 nan 8.190 nan 0.000 0.452 237 D N -0.403 119.899 120.400 -0.164 0.000 2.469 237 D HA 0.215 4.855 4.640 -0.000 0.000 0.240 237 D C -0.540 175.421 176.300 -0.564 0.000 1.087 237 D CA 0.955 54.709 54.000 -0.408 0.000 0.876 237 D CB 0.692 41.179 40.800 -0.520 0.000 1.160 237 D HN 0.659 nan 8.370 nan 0.000 0.497 238 Y N 0.090 120.421 120.300 0.051 0.000 2.512 238 Y HA 0.492 5.042 4.550 -0.000 0.000 0.348 238 Y C -0.500 175.432 175.900 0.054 0.000 0.990 238 Y CA -1.205 56.937 58.100 0.070 0.000 1.033 238 Y CB 1.978 40.502 38.460 0.106 0.000 1.259 238 Y HN -0.293 nan 8.280 nan 0.000 0.461 239 I N 1.939 122.636 120.570 0.211 0.000 2.562 239 I HA 0.615 4.785 4.170 -0.000 0.000 0.301 239 I C -0.269 175.928 176.117 0.133 0.000 1.003 239 I CA -0.287 61.109 61.300 0.161 0.000 1.127 239 I CB 1.428 39.495 38.000 0.111 0.000 1.304 239 I HN 0.653 nan 8.210 nan 0.000 0.446 240 S N 6.959 122.726 115.700 0.111 0.000 2.565 240 S HA 0.855 5.325 4.470 -0.000 0.000 0.290 240 S C -0.908 173.645 174.600 -0.080 0.000 1.150 240 S CA -0.674 57.556 58.200 0.050 0.000 1.058 240 S CB 1.322 64.604 63.200 0.137 0.000 1.032 240 S HN 0.426 nan 8.310 nan 0.000 0.510 241 L N 2.306 123.396 121.223 -0.222 0.000 2.381 241 L HA 0.554 4.894 4.340 -0.000 0.000 0.268 241 L C -0.286 176.468 176.870 -0.194 0.000 0.997 241 L CA -0.433 54.119 54.840 -0.480 0.000 0.818 241 L CB 1.840 43.081 42.059 -1.363 0.000 1.310 241 L HN 0.830 nan 8.230 nan 0.000 0.416 242 H N 1.748 120.735 119.070 -0.137 0.000 2.589 242 H HA 0.668 5.223 4.556 -0.000 0.000 0.351 242 H C -1.180 174.184 175.328 0.060 0.000 1.074 242 H CA -0.875 55.173 56.048 0.000 0.000 1.203 242 H CB 2.634 32.414 29.762 0.029 0.000 1.558 242 H HN 0.407 nan 8.280 nan 0.000 0.522 243 Q N 2.764 122.659 119.800 0.157 0.000 2.268 243 Q HA 0.307 4.646 4.340 -0.000 0.000 0.266 243 Q C -2.150 173.612 176.000 -0.398 0.000 1.006 243 Q CA -0.624 55.135 55.803 -0.075 0.000 0.824 243 Q CB 1.334 30.195 28.738 0.205 0.000 1.306 243 Q HN 0.513 nan 8.270 nan 0.000 0.424 244 Y N 2.216 122.430 120.300 -0.144 0.000 2.462 244 Y HA 0.662 5.212 4.550 -0.000 0.000 0.346 244 Y C -1.030 174.696 175.900 -0.291 0.000 0.976 244 Y CA -0.712 57.352 58.100 -0.060 0.000 1.044 244 Y CB 1.693 40.248 38.460 0.159 0.000 1.230 244 Y HN 0.523 nan 8.280 nan 0.000 0.455 245 Y N 0.193 120.705 120.300 0.353 0.000 2.524 245 Y HA 0.804 5.354 4.550 -0.000 0.000 0.344 245 Y C 0.403 176.480 175.900 0.295 0.000 1.012 245 Y CA -1.503 56.740 58.100 0.238 0.000 1.068 245 Y CB 2.450 40.986 38.460 0.127 0.000 1.249 245 Y HN 0.691 nan 8.280 nan 0.000 0.468 246 G N 0.555 109.552 108.800 0.329 0.000 2.660 246 G HA2 0.347 4.307 3.960 -0.000 0.000 0.294 246 G HA3 0.347 4.307 3.960 -0.000 0.000 0.294 246 G C -1.268 173.261 174.900 -0.618 0.000 1.369 246 G CA -0.858 44.075 45.100 -0.277 0.000 0.912 246 G HN 0.468 nan 8.290 nan 0.000 0.479 247 N N -0.403 117.205 118.700 -1.820 0.000 2.598 247 N HA 0.156 4.896 4.740 -0.000 0.000 0.309 247 N C 1.243 176.413 175.510 -0.566 0.000 1.645 247 N CA -0.333 52.026 53.050 -1.153 0.000 0.936 247 N CB 0.529 38.061 38.487 -1.591 0.000 1.323 247 N HN 0.493 nan 8.380 nan 0.000 0.497 248 K N -0.126 120.073 120.400 -0.335 0.000 2.209 248 K HA -0.062 4.257 4.320 -0.000 0.000 0.204 248 K C 0.901 177.482 176.600 -0.032 0.000 1.048 248 K CA 1.146 57.412 56.287 -0.035 0.000 0.940 248 K CB 0.257 32.760 32.500 0.005 0.000 0.729 248 K HN 0.425 nan 8.250 nan 0.000 0.451 249 E N 0.442 120.603 120.200 -0.065 0.000 2.268 249 E HA -0.125 4.225 4.350 -0.000 0.000 0.195 249 E C 0.233 176.822 176.600 -0.019 0.000 0.995 249 E CA 0.122 56.506 56.400 -0.026 0.000 0.836 249 E CB -0.047 29.646 29.700 -0.011 0.000 0.763 249 E HN 0.199 nan 8.360 nan 0.000 0.491 250 N N 1.393 120.063 118.700 -0.050 0.000 2.780 250 N HA -0.151 4.588 4.740 -0.000 0.000 0.248 250 N C -1.465 174.041 175.510 -0.007 0.000 1.102 250 N CA 0.743 53.776 53.050 -0.028 0.000 0.697 250 N CB -0.994 37.500 38.487 0.012 0.000 1.028 250 N HN 0.161 nan 8.380 nan 0.000 0.554 251 D N -0.250 120.145 120.400 -0.008 0.000 2.458 251 D HA 0.346 4.986 4.640 -0.000 0.000 0.258 251 D C 1.051 177.400 176.300 0.081 0.000 1.134 251 D CA -0.205 53.820 54.000 0.042 0.000 0.915 251 D CB 0.470 41.306 40.800 0.060 0.000 1.028 251 D HN 0.121 nan 8.370 nan 0.000 0.508 252 T N 1.166 115.765 114.554 0.075 0.000 2.720 252 T HA -0.161 4.188 4.350 -0.000 0.000 0.268 252 T C 1.880 176.663 174.700 0.138 0.000 1.037 252 T CA 1.581 63.763 62.100 0.135 0.000 1.144 252 T CB 0.087 69.011 68.868 0.093 0.000 0.864 252 T HN 0.486 nan 8.240 nan 0.000 0.444 253 A N 1.577 124.437 122.820 0.067 0.000 1.883 253 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 253 A C 2.143 179.792 177.584 0.109 0.000 1.186 253 A CA 2.133 54.203 52.037 0.056 0.000 0.624 253 A CB -0.902 18.119 19.000 0.035 0.000 0.822 253 A HN 0.491 nan 8.150 nan 0.000 0.444 254 D N -1.948 118.531 120.400 0.131 0.000 2.183 254 D HA -0.101 4.538 4.640 -0.000 0.000 0.203 254 D C 1.563 177.927 176.300 0.106 0.000 0.969 254 D CA 0.938 55.031 54.000 0.154 0.000 0.842 254 D CB -0.190 40.722 40.800 0.186 0.000 0.957 254 D HN 0.340 nan 8.370 nan 0.000 0.484 255 F N 0.711 120.636 119.950 -0.043 0.000 2.134 255 F HA -0.012 4.515 4.527 -0.000 0.000 0.299 255 F C 1.670 177.383 175.800 -0.145 0.000 1.097 255 F CA 1.180 59.123 58.000 -0.095 0.000 1.264 255 F CB -0.203 38.753 39.000 -0.073 0.000 1.001 255 F HN -0.016 nan 8.300 nan 0.000 0.479 256 L N -0.406 120.722 121.223 -0.158 0.000 2.478 256 L HA 0.027 4.367 4.340 -0.000 0.000 0.223 256 L C 2.376 179.087 176.870 -0.265 0.000 1.140 256 L CA 0.681 55.368 54.840 -0.254 0.000 0.842 256 L CB -0.866 41.144 42.059 -0.083 0.000 0.953 256 L HN 0.200 nan 8.230 nan 0.000 0.452 257 A N -0.194 122.454 122.820 -0.287 0.000 2.208 257 A HA -0.066 4.254 4.320 -0.000 0.000 0.209 257 A C 2.069 179.282 177.584 -0.619 0.000 1.161 257 A CA 0.559 52.336 52.037 -0.434 0.000 0.782 257 A CB -0.170 18.510 19.000 -0.535 0.000 0.816 257 A HN 0.264 nan 8.150 nan 0.000 0.477 258 K N 0.696 120.729 120.400 -0.611 0.000 2.504 258 K HA -0.065 4.255 4.320 -0.000 0.000 0.195 258 K C 1.901 178.124 176.600 -0.628 0.000 1.036 258 K CA 1.053 56.920 56.287 -0.700 0.000 0.984 258 K CB -0.046 31.840 32.500 -1.024 0.000 0.788 258 K HN 0.650 nan 8.250 nan 0.000 0.488 259 S N 0.698 116.140 115.700 -0.431 0.000 2.453 259 S HA -0.107 4.363 4.470 -0.000 0.000 0.231 259 S C 1.214 175.759 174.600 -0.092 0.000 1.005 259 S CA 0.964 59.038 58.200 -0.210 0.000 0.949 259 S CB -0.025 63.078 63.200 -0.160 0.000 0.774 259 S HN 0.151 nan 8.310 nan 0.000 0.510 260 D N 2.230 122.552 120.400 -0.131 0.000 2.144 260 D HA -0.029 4.611 4.640 -0.000 0.000 0.200 260 D C 1.425 177.753 176.300 0.046 0.000 0.978 260 D CA 1.089 55.064 54.000 -0.041 0.000 0.833 260 D CB -0.397 40.356 40.800 -0.079 0.000 0.961 260 D HN 0.390 nan 8.370 nan 0.000 0.470 261 D N 0.029 120.460 120.400 0.050 0.000 2.178 261 D HA -0.096 4.544 4.640 -0.000 0.000 0.202 261 D C 2.125 178.580 176.300 0.259 0.000 0.974 261 D CA 0.215 54.316 54.000 0.169 0.000 0.841 261 D CB -0.157 40.767 40.800 0.207 0.000 0.953 261 D HN 0.152 nan 8.370 nan 0.000 0.478 262 L N 1.109 122.495 121.223 0.272 0.000 2.056 262 L HA -0.145 4.195 4.340 -0.000 0.000 0.207 262 L C 1.734 178.756 176.870 0.253 0.000 1.078 262 L CA 1.759 56.813 54.840 0.356 0.000 0.749 262 L CB -0.443 41.776 42.059 0.267 0.000 0.901 262 L HN -0.160 nan 8.230 nan 0.000 0.433 263 D N -0.970 119.526 120.400 0.160 0.000 2.104 263 D HA -0.222 4.418 4.640 -0.000 0.000 0.194 263 D C 1.656 178.027 176.300 0.117 0.000 0.994 263 D CA 1.521 55.605 54.000 0.139 0.000 0.830 263 D CB 0.054 40.951 40.800 0.162 0.000 0.959 263 D HN 0.389 nan 8.370 nan 0.000 0.452 264 D N -0.610 119.887 120.400 0.163 0.000 2.117 264 D HA -0.163 4.476 4.640 -0.000 0.000 0.197 264 D C 1.724 178.170 176.300 0.244 0.000 0.987 264 D CA 0.494 54.600 54.000 0.176 0.000 0.829 264 D CB -0.479 40.426 40.800 0.176 0.000 0.961 264 D HN 0.254 nan 8.370 nan 0.000 0.460 265 F N 1.528 121.543 119.950 0.109 0.000 2.102 265 F HA -0.127 4.400 4.527 -0.000 0.000 0.298 265 F C 2.113 177.984 175.800 0.119 0.000 1.105 265 F CA 0.924 58.996 58.000 0.120 0.000 1.239 265 F CB -0.657 38.399 39.000 0.093 0.000 0.991 265 F HN -0.121 nan 8.300 nan 0.000 0.474 266 I N 0.195 120.712 120.570 -0.088 0.000 2.179 266 I HA -0.323 3.847 4.170 -0.000 0.000 0.242 266 I C 2.625 178.620 176.117 -0.203 0.000 1.088 266 I CA 1.493 62.628 61.300 -0.275 0.000 1.357 266 I CB -0.488 37.280 38.000 -0.386 0.000 1.051 266 I HN 0.052 nan 8.210 nan 0.000 0.409 267 R N 0.103 120.529 120.500 -0.122 0.000 2.096 267 R HA -0.118 4.222 4.340 -0.000 0.000 0.235 267 R C 2.503 178.822 176.300 0.033 0.000 1.127 267 R CA 1.580 57.667 56.100 -0.021 0.000 0.968 267 R CB -0.384 29.945 30.300 0.049 0.000 0.861 267 R HN 0.270 nan 8.270 nan 0.000 0.440 268 S N 0.248 116.003 115.700 0.091 0.000 2.368 268 S HA -0.098 4.372 4.470 -0.000 0.000 0.225 268 S C 2.045 176.686 174.600 0.068 0.000 1.030 268 S CA 1.191 59.468 58.200 0.129 0.000 0.999 268 S CB -0.051 63.340 63.200 0.318 0.000 0.844 268 S HN 0.089 nan 8.310 nan 0.000 0.459 269 V N 1.815 121.758 119.914 0.048 0.000 2.379 269 V HA -0.096 4.023 4.120 -0.000 0.000 0.245 269 V C 2.004 178.096 176.094 -0.003 0.000 1.044 269 V CA 1.279 63.581 62.300 0.003 0.000 1.036 269 V CB -0.610 31.152 31.823 -0.102 0.000 0.664 269 V HN 0.441 nan 8.190 nan 0.000 0.453 270 I N 0.669 121.231 120.570 -0.014 0.000 2.179 270 I HA -0.255 3.915 4.170 -0.000 0.000 0.242 270 I C 2.691 178.827 176.117 0.031 0.000 1.088 270 I CA 1.568 62.874 61.300 0.009 0.000 1.357 270 I CB -0.599 37.411 38.000 0.018 0.000 1.051 270 I HN 0.290 nan 8.210 nan 0.000 0.409 271 A N 0.399 123.240 122.820 0.034 0.000 1.902 271 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 271 A C 2.382 180.008 177.584 0.069 0.000 1.181 271 A CA 2.493 54.557 52.037 0.045 0.000 0.623 271 A CB -1.121 17.897 19.000 0.029 0.000 0.818 271 A HN 0.404 nan 8.150 nan 0.000 0.443 272 T N -0.737 113.847 114.554 0.050 0.000 2.746 272 T HA -0.191 4.158 4.350 -0.000 0.000 0.267 272 T C 1.917 176.704 174.700 0.145 0.000 1.039 272 T CA 1.560 63.713 62.100 0.089 0.000 1.142 272 T CB -0.714 68.163 68.868 0.015 0.000 0.866 272 T HN 0.582 nan 8.240 nan 0.000 0.444 273 C N 1.716 121.071 119.300 0.092 0.000 2.432 273 C HA -0.080 4.379 4.460 -0.000 0.000 0.277 273 C C 2.621 177.672 174.990 0.102 0.000 1.249 273 C CA 0.476 59.549 59.018 0.092 0.000 1.725 273 C CB -0.978 26.780 27.740 0.030 0.000 2.028 273 C HN 0.552 nan 8.230 nan 0.000 0.477 274 D N -0.702 119.744 120.400 0.077 0.000 2.178 274 D HA -0.114 4.526 4.640 -0.000 0.000 0.202 274 D C 1.670 178.007 176.300 0.061 0.000 0.974 274 D CA 1.060 55.093 54.000 0.056 0.000 0.841 274 D CB -0.514 40.315 40.800 0.049 0.000 0.953 274 D HN 0.681 nan 8.370 nan 0.000 0.478 275 Y N 1.514 121.803 120.300 -0.018 0.000 2.145 275 Y HA -0.172 4.378 4.550 -0.000 0.000 0.286 275 Y C 1.958 177.823 175.900 -0.059 0.000 1.145 275 Y CA 1.238 59.316 58.100 -0.036 0.000 1.148 275 Y CB -0.266 38.173 38.460 -0.034 0.000 0.981 275 Y HN -0.148 nan 8.280 nan 0.000 0.507 276 I N 1.123 121.508 120.570 -0.309 0.000 2.315 276 I HA -0.242 3.928 4.170 -0.000 0.000 0.248 276 I C 2.404 178.256 176.117 -0.441 0.000 1.117 276 I CA 1.461 62.509 61.300 -0.419 0.000 1.404 276 I CB -1.272 36.664 38.000 -0.106 0.000 1.071 276 I HN 0.320 nan 8.210 nan 0.000 0.419 277 K N 1.520 121.762 120.400 -0.263 0.000 2.032 277 K HA -0.203 4.117 4.320 -0.000 0.000 0.209 277 K C 2.168 178.584 176.600 -0.306 0.000 1.048 277 K CA 1.879 57.979 56.287 -0.312 0.000 0.927 277 K CB 0.023 32.493 32.500 -0.049 0.000 0.712 277 K HN 0.250 nan 8.250 nan 0.000 0.441 278 A N 1.278 123.960 122.820 -0.231 0.000 1.930 278 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 278 A C 2.028 179.463 177.584 -0.249 0.000 1.175 278 A CA 1.665 53.587 52.037 -0.191 0.000 0.627 278 A CB -0.402 18.529 19.000 -0.115 0.000 0.815 278 A HN 0.385 nan 8.150 nan 0.000 0.443 279 K N -0.420 119.760 120.400 -0.366 0.000 2.097 279 K HA -0.124 4.196 4.320 -0.000 0.000 0.206 279 K C 1.523 177.932 176.600 -0.319 0.000 1.049 279 K CA 1.338 57.406 56.287 -0.365 0.000 0.933 279 K CB 0.001 32.196 32.500 -0.509 0.000 0.717 279 K HN 0.193 nan 8.250 nan 0.000 0.442 280 K N 0.384 120.544 120.400 -0.400 0.000 2.361 280 K HA 0.024 4.344 4.320 -0.000 0.000 0.196 280 K C 0.143 176.572 176.600 -0.285 0.000 1.039 280 K CA 0.296 56.349 56.287 -0.390 0.000 1.001 280 K CB 0.259 32.373 32.500 -0.644 0.000 0.795 280 K HN 0.086 nan 8.250 nan 0.000 0.495 281 R N 0.612 120.963 120.500 -0.249 0.000 3.422 281 R HA -0.130 4.210 4.340 -0.000 0.000 0.267 281 R C -0.121 176.083 176.300 -0.161 0.000 1.074 281 R CA 0.657 56.654 56.100 -0.172 0.000 0.718 281 R CB -2.566 27.657 30.300 -0.128 0.000 1.157 281 R HN 0.076 nan 8.270 nan 0.000 0.440 282 S N -0.552 115.023 115.700 -0.209 0.000 2.585 282 S HA 0.355 4.825 4.470 -0.000 0.000 0.277 282 S C 1.029 175.589 174.600 -0.067 0.000 1.241 282 S CA -0.791 57.324 58.200 -0.142 0.000 1.041 282 S CB 1.020 64.110 63.200 -0.183 0.000 0.987 282 S HN 0.340 nan 8.310 nan 0.000 0.512 283 K N 1.606 121.988 120.400 -0.030 0.000 2.393 283 K HA 0.136 4.456 4.320 -0.000 0.000 0.193 283 K C 0.421 177.024 176.600 0.005 0.000 1.026 283 K CA 0.177 56.455 56.287 -0.015 0.000 1.064 283 K CB 0.165 32.657 32.500 -0.014 0.000 0.833 283 K HN 0.404 nan 8.250 nan 0.000 0.521 284 K N 1.988 122.408 120.400 0.034 0.000 2.205 284 K HA 0.045 4.364 4.320 -0.000 0.000 0.279 284 K C -0.947 175.652 176.600 -0.002 0.000 1.027 284 K CA -0.345 55.955 56.287 0.022 0.000 0.932 284 K CB 0.789 33.308 32.500 0.032 0.000 1.032 284 K HN -0.124 nan 8.250 nan 0.000 0.466 285 D N 4.140 124.441 120.400 -0.165 0.000 2.225 285 D HA 0.179 4.819 4.640 -0.000 0.000 0.248 285 D C 0.169 176.104 176.300 -0.608 0.000 1.096 285 D CA -0.345 53.444 54.000 -0.352 0.000 0.863 285 D CB 0.992 41.494 40.800 -0.497 0.000 1.156 285 D HN 0.357 nan 8.370 nan 0.000 0.450 286 I N 2.933 123.223 120.570 -0.467 0.000 2.496 286 I HA 0.050 4.220 4.170 -0.000 0.000 0.285 286 I C 0.241 176.099 176.117 -0.431 0.000 1.080 286 I CA -0.125 60.901 61.300 -0.456 0.000 1.404 286 I CB -0.391 37.395 38.000 -0.356 0.000 1.403 286 I HN 0.206 nan 8.210 nan 0.000 0.539 287 Y N 5.612 125.875 120.300 -0.062 0.000 2.432 287 Y HA 0.439 4.988 4.550 -0.000 0.000 0.322 287 Y C 0.088 176.132 175.900 0.241 0.000 1.246 287 Y CA -0.892 57.274 58.100 0.111 0.000 1.268 287 Y CB 0.894 39.467 38.460 0.187 0.000 1.276 287 Y HN 0.264 nan 8.280 nan 0.000 0.499 288 L N 1.249 122.699 121.223 0.379 0.000 2.275 288 L HA 0.373 4.713 4.340 -0.000 0.000 0.288 288 L C 0.024 177.004 176.870 0.183 0.000 1.046 288 L CA -0.056 54.914 54.840 0.216 0.000 0.805 288 L CB 1.530 43.653 42.059 0.106 0.000 1.193 288 L HN 0.552 nan 8.230 nan 0.000 0.426 289 S N 3.628 119.393 115.700 0.107 0.000 2.528 289 S HA 0.360 4.829 4.470 -0.000 0.000 0.303 289 S C -0.326 174.318 174.600 0.074 0.000 1.123 289 S CA -0.469 57.736 58.200 0.007 0.000 1.138 289 S CB -0.204 62.938 63.200 -0.097 0.000 0.984 289 S HN 0.348 nan 8.310 nan 0.000 0.474 290 F N 4.750 124.719 119.950 0.032 0.000 2.659 290 F HA 0.217 4.744 4.527 -0.000 0.000 0.360 290 F C 0.873 176.762 175.800 0.149 0.000 1.218 290 F CA -1.190 56.865 58.000 0.091 0.000 1.317 290 F CB 0.001 39.020 39.000 0.032 0.000 1.697 290 F HN 0.655 nan 8.300 nan 0.000 0.637 291 D N -0.336 120.195 120.400 0.218 0.000 2.324 291 D HA -0.030 4.610 4.640 -0.000 0.000 0.235 291 D C -0.213 176.018 176.300 -0.116 0.000 1.095 291 D CA 0.365 54.399 54.000 0.058 0.000 0.871 291 D CB -0.249 40.522 40.800 -0.049 0.000 0.906 291 D HN 0.429 nan 8.370 nan 0.000 0.522 292 E N 0.484 120.695 120.200 0.018 0.000 2.404 292 E HA 0.243 4.592 4.350 -0.000 0.000 0.298 292 E C -1.411 175.266 176.600 0.129 0.000 0.908 292 E CA -0.818 55.513 56.400 -0.115 0.000 0.808 292 E CB 1.366 30.735 29.700 -0.552 0.000 1.380 292 E HN 0.340 nan 8.360 nan 0.000 0.392 293 W N 3.329 124.600 121.300 -0.048 0.000 3.372 293 W HA 0.735 5.395 4.660 -0.000 0.000 0.315 293 W C -1.396 175.111 176.519 -0.021 0.000 1.223 293 W CA -0.598 56.674 57.345 -0.121 0.000 1.202 293 W CB 1.349 30.701 29.460 -0.180 0.000 1.367 293 W HN 0.434 nan 8.180 nan 0.000 0.531 294 N N 0.359 119.167 118.700 0.180 0.000 4.016 294 N HA 0.199 4.939 4.740 -0.000 0.000 0.227 294 N C -2.123 173.659 175.510 0.454 0.000 1.337 294 N CA -0.487 52.679 53.050 0.193 0.000 0.817 294 N CB 1.820 40.352 38.487 0.075 0.000 1.469 294 N HN 0.267 nan 8.380 nan 0.000 0.448 295 V N 1.548 121.707 119.914 0.408 0.000 2.583 295 V HA 0.523 4.643 4.120 -0.000 0.000 0.287 295 V C -0.630 175.906 176.094 0.737 0.000 1.051 295 V CA 0.064 62.720 62.300 0.593 0.000 1.010 295 V CB 0.840 33.020 31.823 0.594 0.000 0.988 295 V HN 0.635 nan 8.190 nan 0.000 0.478 296 W N 8.546 130.109 121.300 0.438 0.000 3.097 296 W HA 0.535 5.194 4.660 -0.000 0.000 0.325 296 W C -0.952 175.698 176.519 0.217 0.000 1.056 296 W CA -1.499 55.966 57.345 0.200 0.000 1.254 296 W CB 1.039 30.475 29.460 -0.040 0.000 1.202 296 W HN 0.671 nan 8.180 nan 0.000 0.400 297 Y N 1.268 121.633 120.300 0.107 0.000 2.537 297 Y HA 0.242 4.791 4.550 -0.000 0.000 0.302 297 Y C 1.478 177.372 175.900 -0.010 0.000 0.959 297 Y CA 0.597 58.643 58.100 -0.089 0.000 0.971 297 Y CB -0.350 38.038 38.460 -0.119 0.000 1.416 297 Y HN 0.306 nan 8.280 nan 0.000 0.585 298 H N 1.480 120.214 119.070 -0.559 0.000 2.319 298 H HA -0.078 4.478 4.556 -0.000 0.000 0.299 298 H C 1.766 176.968 175.328 -0.210 0.000 1.092 298 H CA 2.049 57.792 56.048 -0.508 0.000 1.302 298 H CB 0.163 29.595 29.762 -0.550 0.000 1.373 298 H HN 0.457 nan 8.280 nan 0.000 0.497 299 S N 0.373 116.080 115.700 0.012 0.000 2.671 299 S HA 0.006 4.476 4.470 -0.000 0.000 0.220 299 S C 1.361 175.989 174.600 0.047 0.000 0.951 299 S CA -0.195 58.009 58.200 0.007 0.000 0.932 299 S CB 0.026 63.208 63.200 -0.031 0.000 0.777 299 S HN 0.295 nan 8.310 nan 0.000 0.508 300 N N 3.735 122.465 118.700 0.050 0.000 2.018 300 N HA -0.101 4.639 4.740 -0.000 0.000 0.196 300 N C 1.299 176.815 175.510 0.010 0.000 1.043 300 N CA 1.712 54.778 53.050 0.027 0.000 0.856 300 N CB -0.734 37.739 38.487 -0.024 0.000 1.042 300 N HN 0.445 nan 8.380 nan 0.000 0.423 301 N N 0.858 119.558 118.700 0.001 0.000 2.120 301 N HA -0.143 4.597 4.740 -0.000 0.000 0.188 301 N C 1.636 177.141 175.510 -0.008 0.000 1.024 301 N CA 0.767 53.814 53.050 -0.006 0.000 0.852 301 N CB -0.440 38.042 38.487 -0.007 0.000 1.003 301 N HN 0.347 nan 8.380 nan 0.000 0.424 302 E N 1.132 121.325 120.200 -0.011 0.000 2.110 302 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 302 E C 0.842 177.434 176.600 -0.013 0.000 0.988 302 E CA 1.207 57.596 56.400 -0.018 0.000 0.804 302 E CB -0.245 29.436 29.700 -0.031 0.000 0.745 302 E HN 0.201 nan 8.360 nan 0.000 0.458 303 D N -0.312 120.090 120.400 0.003 0.000 2.264 303 D HA -0.081 4.559 4.640 -0.000 0.000 0.208 303 D C 1.529 177.839 176.300 0.017 0.000 0.966 303 D CA 1.199 55.209 54.000 0.018 0.000 0.864 303 D CB -0.168 40.671 40.800 0.064 0.000 0.933 303 D HN 0.334 nan 8.370 nan 0.000 0.499 304 A N 0.959 123.783 122.820 0.006 0.000 1.835 304 A HA -0.163 4.157 4.320 -0.000 0.000 0.213 304 A C 1.779 179.357 177.584 -0.010 0.000 1.210 304 A CA 1.036 53.072 52.037 -0.002 0.000 0.605 304 A CB -0.463 18.533 19.000 -0.008 0.000 0.860 304 A HN 0.051 nan 8.150 nan 0.000 0.447 305 N N 0.084 118.777 118.700 -0.012 0.000 1.313 305 N HA -0.282 4.458 4.740 -0.000 0.000 0.108 305 N C 1.173 176.671 175.510 -0.020 0.000 0.342 305 N CA 2.552 55.593 53.050 -0.016 0.000 0.803 305 N CB -1.087 37.390 38.487 -0.017 0.000 0.598 305 N HN 0.511 nan 8.380 nan 0.000 1.412 306 I N 0.057 120.615 120.570 -0.020 0.000 3.241 306 I HA -0.058 4.112 4.170 -0.000 0.000 0.280 306 I C 0.767 176.858 176.117 -0.043 0.000 1.320 306 I CA 0.479 61.763 61.300 -0.028 0.000 1.413 306 I CB -0.094 37.890 38.000 -0.027 0.000 1.060 306 I HN 0.232 nan 8.210 nan 0.000 0.500 307 M N 0.476 120.047 119.600 -0.048 0.000 2.719 307 M HA 0.037 4.517 4.480 -0.000 0.000 0.149 307 M C -0.402 175.866 176.300 -0.054 0.000 0.965 307 M CA 0.153 55.419 55.300 -0.056 0.000 0.745 307 M CB 0.622 33.212 32.600 -0.016 0.000 3.178 307 M HN -0.170 nan 8.290 nan 0.000 0.333 308 Q N 1.264 121.021 119.800 -0.073 0.000 2.418 308 Q HA -0.051 4.288 4.340 -0.000 0.000 0.293 308 Q C -0.377 175.602 176.000 -0.034 0.000 1.398 308 Q CA 2.101 57.875 55.803 -0.048 0.000 0.720 308 Q CB -2.568 26.152 28.738 -0.030 0.000 1.100 308 Q HN 1.936 nan 8.270 nan 0.000 0.381 309 N N -1.283 117.393 118.700 -0.040 0.000 2.944 309 N HA 0.125 4.865 4.740 -0.000 0.000 0.182 309 N C -0.250 175.248 175.510 -0.020 0.000 1.366 309 N CA 0.677 53.713 53.050 -0.022 0.000 2.830 309 N CB -0.647 nan 38.487 nan 0.000 1.315 309 N HN 0.858 nan 8.380 nan 0.000 0.940 310 E N 0.789 120.969 120.200 -0.034 0.000 2.404 310 E HA 0.428 4.778 4.350 -0.000 0.000 0.298 310 E C -3.357 173.201 176.600 -0.071 0.000 0.908 310 E CA -1.210 55.174 56.400 -0.027 0.000 0.808 310 E CB 2.433 32.131 29.700 -0.003 0.000 1.380 310 E HN 0.307 nan 8.360 nan 0.000 0.392 311 P HA 0.250 nan 4.420 nan 0.000 0.279 311 P C -0.810 176.425 177.300 -0.108 0.000 1.252 311 P CA 0.137 63.023 63.100 -0.357 0.000 0.811 311 P CB 0.165 31.446 31.700 -0.699 0.000 1.035 312 W N -0.783 120.545 121.300 0.047 0.000 1.828 312 W HA -0.230 4.430 4.660 -0.000 0.000 0.253 312 W C 0.068 176.603 176.519 0.026 0.000 1.019 312 W CA -0.367 57.003 57.345 0.041 0.000 0.447 312 W CB -2.103 27.378 29.460 0.035 0.000 2.033 312 W HN 0.378 nan 8.180 nan 0.000 1.268 313 R N 0.254 120.861 120.500 0.179 0.000 2.046 313 R HA -0.157 4.183 4.340 -0.000 0.000 0.288 313 R C -0.211 176.151 176.300 0.103 0.000 1.182 313 R CA 1.124 57.284 56.100 0.099 0.000 1.181 313 R CB -0.870 29.453 30.300 0.038 0.000 3.210 313 R HN 0.296 nan 8.270 nan 0.000 0.477 314 I N 1.913 122.516 120.570 0.055 0.000 2.342 314 I HA 0.190 4.359 4.170 -0.000 0.000 0.291 314 I C 1.026 177.146 176.117 0.006 0.000 1.010 314 I CA 0.202 61.511 61.300 0.014 0.000 1.308 314 I CB 1.533 39.507 38.000 -0.044 0.000 1.400 314 I HN 0.876 nan 8.210 nan 0.000 0.488 315 A N 6.490 129.321 122.820 0.019 0.000 2.362 315 A HA -0.126 4.194 4.320 -0.000 0.000 0.290 315 A C -2.308 175.268 177.584 -0.014 0.000 1.441 315 A CA -0.394 51.657 52.037 0.023 0.000 0.743 315 A CB -1.886 17.154 19.000 0.067 0.000 1.125 315 A HN 0.482 nan 8.150 nan 0.000 0.378 316 P HA 0.312 nan 4.420 nan 0.000 0.274 316 P C -2.646 174.608 177.300 -0.078 0.000 1.231 316 P CA -1.686 61.390 63.100 -0.040 0.000 0.790 316 P CB 0.080 31.761 31.700 -0.031 0.000 0.951 317 P HA 0.159 nan 4.420 nan 0.000 0.235 317 P C -0.271 176.953 177.300 -0.128 0.000 1.765 317 P CA 0.297 63.336 63.100 -0.102 0.000 1.034 317 P CB -0.244 31.411 31.700 -0.075 0.000 1.984 318 L N 2.182 123.300 121.223 -0.175 0.000 2.357 318 L HA 0.230 4.570 4.340 -0.000 0.000 0.273 318 L C 1.137 177.828 176.870 -0.298 0.000 1.080 318 L CA -0.951 53.762 54.840 -0.212 0.000 0.803 318 L CB 0.468 42.372 42.059 -0.258 0.000 1.174 318 L HN 0.009 nan 8.230 nan 0.000 0.443 319 L N 1.629 122.692 121.223 -0.267 0.000 3.843 319 L HA -0.229 4.111 4.340 -0.000 0.000 0.411 319 L C 0.264 176.927 176.870 -0.345 0.000 1.205 319 L CA 0.853 55.477 54.840 -0.361 0.000 0.945 319 L CB -1.642 40.016 42.059 -0.668 0.000 1.929 319 L HN 0.634 nan 8.230 nan 0.000 0.934 320 E N 0.110 120.165 120.200 -0.241 0.000 2.110 320 E HA 0.142 4.492 4.350 -0.000 0.000 0.300 320 E C 0.098 176.563 176.600 -0.225 0.000 1.278 320 E CA -0.472 55.791 56.400 -0.229 0.000 1.365 320 E CB -0.044 29.553 29.700 -0.172 0.000 1.283 320 E HN 0.301 nan 8.360 nan 0.000 0.490 321 D N 1.675 121.889 120.400 -0.311 0.000 2.425 321 D HA 0.030 4.670 4.640 -0.000 0.000 0.247 321 D C -0.062 175.946 176.300 -0.486 0.000 1.147 321 D CA 0.220 53.974 54.000 -0.411 0.000 0.879 321 D CB 0.712 41.114 40.800 -0.664 0.000 1.179 321 D HN 0.249 nan 8.370 nan 0.000 0.456 322 I N 3.905 124.292 120.570 -0.305 0.000 2.306 322 I HA 0.126 4.296 4.170 -0.000 0.000 0.288 322 I C -0.243 175.800 176.117 -0.124 0.000 1.036 322 I CA -0.650 60.547 61.300 -0.172 0.000 1.221 322 I CB -0.375 37.571 38.000 -0.091 0.000 1.385 322 I HN 0.214 nan 8.210 nan 0.000 0.472 323 Y N 4.402 124.806 120.300 0.172 0.000 2.359 323 Y HA 0.209 4.759 4.550 -0.000 0.000 0.330 323 Y C 1.643 177.670 175.900 0.213 0.000 1.143 323 Y CA -0.179 58.064 58.100 0.240 0.000 1.318 323 Y CB 0.797 39.363 38.460 0.177 0.000 1.234 323 Y HN 0.600 nan 8.280 nan 0.000 0.522 324 T N -0.825 113.998 114.554 0.449 0.000 2.849 324 T HA 0.143 4.493 4.350 -0.000 0.000 0.276 324 T C 0.781 175.686 174.700 0.341 0.000 0.971 324 T CA -0.528 61.762 62.100 0.317 0.000 0.949 324 T CB 0.521 69.562 68.868 0.289 0.000 1.093 324 T HN 0.555 nan 8.240 nan 0.000 0.545 325 F N 1.703 121.748 119.950 0.158 0.000 2.146 325 F HA -0.006 4.521 4.527 -0.000 0.000 0.298 325 F C 2.451 178.374 175.800 0.206 0.000 1.096 325 F CA 1.798 59.891 58.000 0.156 0.000 1.275 325 F CB -0.592 38.471 39.000 0.104 0.000 1.008 325 F HN 0.866 nan 8.300 nan 0.000 0.480 326 E N -0.642 119.587 120.200 0.048 0.000 2.153 326 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 326 E C 1.504 178.230 176.600 0.210 0.000 0.988 326 E CA 1.487 57.909 56.400 0.037 0.000 0.811 326 E CB -0.702 29.133 29.700 0.225 0.000 0.746 326 E HN 0.357 nan 8.360 nan 0.000 0.466 327 D N 1.635 122.235 120.400 0.334 0.000 2.117 327 D HA -0.120 4.520 4.640 -0.000 0.000 0.197 327 D C 2.068 178.442 176.300 0.123 0.000 0.987 327 D CA 1.728 55.968 54.000 0.399 0.000 0.829 327 D CB -0.361 40.747 40.800 0.514 0.000 0.961 327 D HN 0.365 nan 8.370 nan 0.000 0.460 328 A N 0.633 123.467 122.820 0.023 0.000 1.972 328 A HA -0.108 4.212 4.320 -0.000 0.000 0.219 328 A C 2.382 179.871 177.584 -0.159 0.000 1.169 328 A CA 0.816 52.807 52.037 -0.077 0.000 0.635 328 A CB -0.678 18.320 19.000 -0.004 0.000 0.810 328 A HN 0.198 nan 8.150 nan 0.000 0.446 329 L N -1.316 119.775 121.223 -0.220 0.000 2.056 329 L HA -0.142 4.198 4.340 -0.000 0.000 0.207 329 L C 2.534 179.349 176.870 -0.091 0.000 1.078 329 L CA 1.077 55.818 54.840 -0.165 0.000 0.749 329 L CB -0.474 41.438 42.059 -0.246 0.000 0.901 329 L HN 0.447 nan 8.230 nan 0.000 0.433 330 L N -0.633 120.517 121.223 -0.122 0.000 2.056 330 L HA -0.124 4.216 4.340 -0.000 0.000 0.207 330 L C 2.370 179.202 176.870 -0.063 0.000 1.078 330 L CA 1.463 56.189 54.840 -0.189 0.000 0.749 330 L CB -0.308 41.482 42.059 -0.448 0.000 0.901 330 L HN -0.098 nan 8.230 nan 0.000 0.433 331 V N 0.140 120.056 119.914 0.004 0.000 2.332 331 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 331 V C 2.596 178.695 176.094 0.009 0.000 1.055 331 V CA 1.891 64.261 62.300 0.117 0.000 1.038 331 V CB -1.606 30.257 31.823 0.066 0.000 0.651 331 V HN 0.645 nan 8.190 nan 0.000 0.450 332 G N -0.484 108.234 108.800 -0.136 0.000 2.418 332 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 332 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 332 G C 1.599 176.591 174.900 0.154 0.000 1.158 332 G CA 0.979 45.973 45.100 -0.176 0.000 0.771 332 G HN 0.471 nan 8.290 nan 0.000 0.545 333 L N -0.234 121.039 121.223 0.083 0.000 2.046 333 L HA -0.033 4.306 4.340 -0.000 0.000 0.208 333 L C 3.095 179.948 176.870 -0.028 0.000 1.077 333 L CA 1.019 55.886 54.840 0.045 0.000 0.747 333 L CB -0.263 41.771 42.059 -0.041 0.000 0.896 333 L HN 0.227 nan 8.230 nan 0.000 0.432 334 M N -0.915 118.631 119.600 -0.090 0.000 2.117 334 M HA -0.222 4.257 4.480 -0.000 0.000 0.262 334 M C 2.272 178.335 176.300 -0.394 0.000 1.065 334 M CA 1.730 56.889 55.300 -0.236 0.000 1.114 334 M CB -0.344 32.118 32.600 -0.229 0.000 1.361 334 M HN 0.210 nan 8.290 nan 0.000 0.408 335 L N -0.092 120.954 121.223 -0.295 0.000 2.046 335 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 335 L C 2.323 179.189 176.870 -0.008 0.000 1.077 335 L CA 1.184 55.901 54.840 -0.205 0.000 0.747 335 L CB -0.496 41.561 42.059 -0.003 0.000 0.896 335 L HN 0.274 nan 8.230 nan 0.000 0.432 336 I N -0.705 119.931 120.570 0.110 0.000 2.179 336 I HA -0.308 3.862 4.170 -0.000 0.000 0.242 336 I C 2.464 178.590 176.117 0.015 0.000 1.088 336 I CA 1.650 63.028 61.300 0.131 0.000 1.357 336 I CB -0.437 37.663 38.000 0.166 0.000 1.051 336 I HN 0.270 nan 8.210 nan 0.000 0.409 337 T N 1.222 115.759 114.554 -0.028 0.000 2.746 337 T HA -0.138 4.211 4.350 -0.000 0.000 0.267 337 T C 1.940 176.645 174.700 0.008 0.000 1.039 337 T CA 1.225 63.322 62.100 -0.005 0.000 1.142 337 T CB -0.364 68.493 68.868 -0.019 0.000 0.866 337 T HN 0.234 nan 8.240 nan 0.000 0.444 338 L N 0.083 121.213 121.223 -0.154 0.000 2.042 338 L HA -0.108 4.232 4.340 -0.000 0.000 0.210 338 L C 2.703 179.520 176.870 -0.089 0.000 1.076 338 L CA 1.405 56.131 54.840 -0.189 0.000 0.749 338 L CB -0.543 41.259 42.059 -0.429 0.000 0.893 338 L HN 0.297 nan 8.230 nan 0.000 0.432 339 M N -0.690 118.861 119.600 -0.082 0.000 2.159 339 M HA -0.202 4.277 4.480 -0.000 0.000 0.263 339 M C 2.203 178.458 176.300 -0.074 0.000 1.063 339 M CA 1.644 56.907 55.300 -0.061 0.000 1.110 339 M CB -0.211 32.381 32.600 -0.014 0.000 1.374 339 M HN 0.080 nan 8.290 nan 0.000 0.411 340 K N -0.674 119.665 120.400 -0.102 0.000 2.209 340 K HA -0.124 4.196 4.320 -0.000 0.000 0.204 340 K C 0.747 177.143 176.600 -0.341 0.000 1.048 340 K CA 0.816 56.964 56.287 -0.232 0.000 0.940 340 K CB -0.124 32.189 32.500 -0.312 0.000 0.729 340 K HN 0.497 nan 8.250 nan 0.000 0.451 341 H N -0.976 118.079 119.070 -0.025 0.000 2.472 341 H HA 0.250 4.806 4.556 -0.000 0.000 0.287 341 H C 0.918 176.250 175.328 0.007 0.000 1.112 341 H CA -0.033 56.017 56.048 0.002 0.000 1.021 341 H CB 0.652 30.422 29.762 0.014 0.000 1.635 341 H HN 0.142 nan 8.280 nan 0.000 0.559 342 A N 1.074 123.920 122.820 0.044 0.000 2.172 342 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 342 A C 2.018 179.632 177.584 0.050 0.000 1.154 342 A CA 1.186 53.233 52.037 0.017 0.000 0.701 342 A CB -0.079 18.902 19.000 -0.031 0.000 0.789 342 A HN 0.434 nan 8.150 nan 0.000 0.465 343 D N -0.810 119.641 120.400 0.084 0.000 2.224 343 D HA -0.133 4.507 4.640 -0.000 0.000 0.205 343 D C 1.683 178.116 176.300 0.222 0.000 0.965 343 D CA 0.814 54.887 54.000 0.123 0.000 0.852 343 D CB -0.203 40.663 40.800 0.111 0.000 0.947 343 D HN 0.313 nan 8.370 nan 0.000 0.494 344 R N -0.080 120.559 120.500 0.232 0.000 2.225 344 R HA 0.348 4.688 4.340 -0.000 0.000 0.194 344 R C 0.798 177.282 176.300 0.306 0.000 0.949 344 R CA -0.175 56.117 56.100 0.320 0.000 1.088 344 R CB 0.371 30.790 30.300 0.200 0.000 1.106 344 R HN 0.228 nan 8.270 nan 0.000 0.566 345 I N 2.896 123.581 120.570 0.191 0.000 2.363 345 I HA 0.061 4.231 4.170 -0.000 0.000 0.292 345 I C 1.049 177.208 176.117 0.071 0.000 1.075 345 I CA 0.163 61.547 61.300 0.140 0.000 1.333 345 I CB 0.748 38.810 38.000 0.103 0.000 1.415 345 I HN -0.231 nan 8.210 nan 0.000 0.502 346 K N 6.119 126.562 120.400 0.071 0.000 2.399 346 K HA 0.440 4.760 4.320 -0.000 0.000 0.196 346 K C 0.187 176.735 176.600 -0.087 0.000 1.103 346 K CA 0.482 56.760 56.287 -0.016 0.000 0.986 346 K CB 1.049 33.558 32.500 0.015 0.000 0.952 346 K HN 0.475 nan 8.250 nan 0.000 0.541 347 I N 0.627 121.127 120.570 -0.117 0.000 2.582 347 I HA 0.458 4.628 4.170 -0.000 0.000 0.292 347 I C -1.041 175.075 176.117 -0.001 0.000 1.066 347 I CA -1.097 60.128 61.300 -0.125 0.000 1.053 347 I CB 2.301 40.132 38.000 -0.281 0.000 1.241 347 I HN -0.174 nan 8.210 nan 0.000 0.421 348 A N 4.313 127.173 122.820 0.067 0.000 2.520 348 A HA 0.793 5.113 4.320 -0.000 0.000 0.298 348 A C -1.528 176.259 177.584 0.338 0.000 1.051 348 A CA -0.433 51.747 52.037 0.238 0.000 0.690 348 A CB 1.639 20.732 19.000 0.155 0.000 1.281 348 A HN 0.737 nan 8.150 nan 0.000 0.402 349 C N 1.990 121.537 119.300 0.413 0.000 2.346 349 C HA 0.556 5.015 4.460 -0.000 0.000 0.326 349 C C -0.073 174.897 174.990 -0.034 0.000 1.224 349 C CA -0.523 58.637 59.018 0.236 0.000 1.408 349 C CB 0.334 28.143 27.740 0.115 0.000 2.089 349 C HN 0.906 nan 8.230 nan 0.000 0.456 350 L N 3.912 124.985 121.223 -0.250 0.000 2.477 350 L HA 0.493 4.833 4.340 -0.000 0.000 0.272 350 L C 0.474 177.098 176.870 -0.411 0.000 1.157 350 L CA 0.566 54.889 54.840 -0.863 0.000 0.889 350 L CB 0.324 41.912 42.059 -0.784 0.000 1.158 350 L HN 0.814 nan 8.230 nan 0.000 0.473 351 A N 6.345 128.972 122.820 -0.322 0.000 2.253 351 A HA 0.632 4.952 4.320 -0.000 0.000 0.316 351 A C -0.204 177.290 177.584 -0.150 0.000 1.327 351 A CA -0.470 51.556 52.037 -0.017 0.000 0.917 351 A CB 0.342 19.521 19.000 0.298 0.000 1.162 351 A HN 0.876 nan 8.150 nan 0.000 0.535 352 Q N 0.917 120.557 119.800 -0.267 0.000 3.274 352 Q HA 0.386 4.725 4.340 -0.000 0.000 0.303 352 Q C 0.178 175.983 176.000 -0.325 0.000 1.005 352 Q CA -1.009 54.599 55.803 -0.326 0.000 0.831 352 Q CB 0.528 28.948 28.738 -0.529 0.000 1.538 352 Q HN 0.529 nan 8.270 nan 0.000 0.481 353 L N 0.255 121.295 121.223 -0.306 0.000 2.313 353 L HA 0.246 4.585 4.340 -0.000 0.000 0.214 353 L C -0.086 176.641 176.870 -0.239 0.000 1.119 353 L CA 1.354 56.044 54.840 -0.250 0.000 0.809 353 L CB 0.499 42.482 42.059 -0.127 0.000 0.933 353 L HN 0.410 nan 8.230 nan 0.000 0.449 354 I N -0.103 120.308 120.570 -0.265 0.000 2.552 354 I HA 0.010 4.180 4.170 -0.000 0.000 0.247 354 I C 0.082 176.019 176.117 -0.301 0.000 1.430 354 I CA -0.224 60.922 61.300 -0.257 0.000 1.353 354 I CB 0.275 38.131 38.000 -0.240 0.000 1.733 354 I HN 0.004 nan 8.210 nan 0.000 0.402 355 N N 1.558 120.081 118.700 -0.295 0.000 2.119 355 N HA -0.194 4.546 4.740 -0.000 0.000 0.218 355 N C 0.496 175.816 175.510 -0.316 0.000 0.582 355 N CA 1.878 54.749 53.050 -0.298 0.000 3.971 355 N CB -0.613 37.714 38.487 -0.267 0.000 0.769 355 N HN 0.382 nan 8.380 nan 0.000 0.281 356 V N 4.275 123.968 119.914 -0.368 0.000 2.439 356 V HA 0.154 4.274 4.120 -0.000 0.000 0.271 356 V C 1.279 177.121 176.094 -0.419 0.000 1.040 356 V CA 0.302 62.335 62.300 -0.445 0.000 1.002 356 V CB -0.397 31.098 31.823 -0.548 0.000 1.000 356 V HN 0.405 nan 8.190 nan 0.000 0.477 357 I N 2.920 123.245 120.570 -0.409 0.000 3.088 357 I HA -0.214 3.955 4.170 -0.000 0.000 0.126 357 I C 0.211 176.293 176.117 -0.057 0.000 0.929 357 I CA 0.749 61.907 61.300 -0.237 0.000 2.771 357 I CB -1.259 36.497 38.000 -0.407 0.000 0.874 357 I HN 0.614 nan 8.210 nan 0.000 0.349 358 A N 5.393 128.216 122.820 0.005 0.000 2.413 358 A HA 0.921 5.240 4.320 -0.000 0.000 0.307 358 A C -1.735 175.805 177.584 -0.074 0.000 1.087 358 A CA -1.307 50.655 52.037 -0.125 0.000 0.750 358 A CB 1.546 20.406 19.000 -0.233 0.000 1.296 358 A HN 0.339 nan 8.150 nan 0.000 0.423 359 P HA 0.117 nan 4.420 nan 0.000 0.231 359 P C -0.051 177.204 177.300 -0.075 0.000 1.168 359 P CA 0.883 63.901 63.100 -0.137 0.000 0.779 359 P CB 0.170 31.702 31.700 -0.280 0.000 0.844 360 I N 0.103 120.569 120.570 -0.173 0.000 2.389 360 I HA 0.280 4.450 4.170 -0.000 0.000 0.288 360 I C -0.564 175.320 176.117 -0.390 0.000 0.999 360 I CA -1.000 60.164 61.300 -0.228 0.000 1.129 360 I CB 2.661 40.594 38.000 -0.113 0.000 1.288 360 I HN -0.381 nan 8.210 nan 0.000 0.444 361 V N 4.308 123.829 119.914 -0.655 0.000 2.531 361 V HA 0.451 4.570 4.120 -0.000 0.000 0.301 361 V C 0.103 175.829 176.094 -0.614 0.000 1.034 361 V CA -0.599 61.252 62.300 -0.748 0.000 0.865 361 V CB 2.196 33.297 31.823 -1.203 0.000 0.995 361 V HN 0.833 nan 8.190 nan 0.000 0.424 362 T N 0.294 114.667 114.554 -0.302 0.000 2.875 362 T HA 0.450 4.800 4.350 -0.000 0.000 0.284 362 T C 0.713 175.396 174.700 -0.028 0.000 0.995 362 T CA -0.558 61.470 62.100 -0.120 0.000 1.060 362 T CB 2.153 70.971 68.868 -0.083 0.000 0.967 362 T HN 0.496 nan 8.240 nan 0.000 0.476 363 E N 1.516 121.774 120.200 0.096 0.000 1.995 363 E HA 0.005 4.355 4.350 -0.000 0.000 0.207 363 E C 0.608 177.235 176.600 0.045 0.000 1.016 363 E CA 1.195 57.675 56.400 0.133 0.000 0.865 363 E CB 0.031 29.807 29.700 0.126 0.000 0.797 363 E HN 0.653 nan 8.360 nan 0.000 0.491 364 R N -0.912 119.600 120.500 0.019 0.000 3.791 364 R HA -0.009 4.331 4.340 -0.000 0.000 0.261 364 R C -1.214 175.084 176.300 -0.005 0.000 0.979 364 R CA -0.146 55.953 56.100 -0.003 0.000 1.020 364 R CB 0.229 30.527 30.300 -0.002 0.000 1.256 364 R HN 0.349 nan 8.270 nan 0.000 0.563 365 N N 0.602 119.296 118.700 -0.011 0.000 2.756 365 N HA -0.234 4.506 4.740 -0.000 0.000 0.269 365 N C 0.141 175.644 175.510 -0.011 0.000 0.949 365 N CA 1.481 54.524 53.050 -0.012 0.000 0.845 365 N CB -0.640 37.840 38.487 -0.011 0.000 0.919 365 N HN 0.659 nan 8.380 nan 0.000 0.566 366 G N -1.402 107.391 108.800 -0.011 0.000 2.971 366 G HA2 0.734 4.694 3.960 -0.000 0.000 0.235 366 G HA3 0.734 4.694 3.960 -0.000 0.000 0.235 366 G C 0.368 175.264 174.900 -0.007 0.000 1.351 366 G CA -0.110 44.989 45.100 -0.002 0.000 1.039 366 G HN 0.345 nan 8.290 nan 0.000 0.563 367 G N -2.227 106.575 108.800 0.003 0.000 2.702 367 G HA2 0.576 4.536 3.960 -0.000 0.000 0.254 367 G HA3 0.576 4.536 3.960 -0.000 0.000 0.254 367 G C 0.436 175.363 174.900 0.045 0.000 1.380 367 G CA 0.676 45.786 45.100 0.018 0.000 1.042 367 G HN 1.214 nan 8.290 nan 0.000 0.557 368 A N -2.305 120.570 122.820 0.092 0.000 1.921 368 A HA 0.797 5.117 4.320 -0.000 0.000 0.202 368 A C 0.788 178.442 177.584 0.117 0.000 1.721 368 A CA 1.430 53.525 52.037 0.096 0.000 1.025 368 A CB -0.234 18.824 19.000 0.098 0.000 1.060 368 A HN 2.657 nan 8.150 nan 0.000 0.535 369 A N -1.593 121.357 122.820 0.218 0.000 2.434 369 A HA 0.385 4.705 4.320 -0.000 0.000 0.686 369 A C -0.543 177.167 177.584 0.210 0.000 0.138 369 A CA 0.104 52.192 52.037 0.084 0.000 0.026 369 A CB -1.547 17.461 19.000 0.013 0.000 3.973 369 A HN 2.159 nan 8.150 nan 0.000 0.548 370 W N 0.453 121.698 121.300 -0.092 0.000 3.057 370 W HA 0.678 5.338 4.660 -0.000 0.000 0.328 370 W C -0.923 175.494 176.519 -0.169 0.000 1.232 370 W CA -1.012 56.256 57.345 -0.128 0.000 1.187 370 W CB 0.496 29.899 29.460 -0.094 0.000 1.417 370 W HN 0.983 nan 8.180 nan 0.000 0.569 371 R N 2.008 122.518 120.500 0.018 0.000 2.312 371 R HA 0.326 4.665 4.340 -0.000 0.000 0.311 371 R C 0.459 176.799 176.300 0.066 0.000 1.004 371 R CA -0.758 55.181 56.100 -0.268 0.000 0.902 371 R CB 2.066 31.843 30.300 -0.872 0.000 1.073 371 R HN 0.318 nan 8.270 nan 0.000 0.457 372 Q N 0.417 120.223 119.800 0.009 0.000 2.316 372 Q HA 0.044 4.384 4.340 -0.000 0.000 0.215 372 Q C 1.344 177.458 176.000 0.190 0.000 1.020 372 Q CA 0.156 56.073 55.803 0.190 0.000 0.970 372 Q CB 0.965 29.811 28.738 0.179 0.000 1.187 372 Q HN 0.753 nan 8.270 nan 0.000 0.546 373 T N -2.235 112.480 114.554 0.267 0.000 2.759 373 T HA -0.172 4.178 4.350 -0.000 0.000 0.269 373 T C 1.793 176.591 174.700 0.163 0.000 1.042 373 T CA 1.829 64.093 62.100 0.273 0.000 1.140 373 T CB -0.521 68.533 68.868 0.310 0.000 0.864 373 T HN 0.678 nan 8.240 nan 0.000 0.455 374 I N -2.071 118.516 120.570 0.028 0.000 3.001 374 I HA 0.192 4.362 4.170 -0.000 0.000 0.268 374 I C 2.141 178.190 176.117 -0.113 0.000 1.267 374 I CA 0.365 61.590 61.300 -0.125 0.000 1.472 374 I CB -0.831 36.931 38.000 -0.397 0.000 1.089 374 I HN 0.063 nan 8.210 nan 0.000 0.468 375 F N 1.894 121.689 119.950 -0.258 0.000 2.095 375 F HA -0.239 4.287 4.527 -0.000 0.000 0.298 375 F C 2.057 177.660 175.800 -0.329 0.000 1.104 375 F CA 1.807 59.584 58.000 -0.372 0.000 1.232 375 F CB -0.412 38.252 39.000 -0.559 0.000 0.987 375 F HN 0.006 nan 8.300 nan 0.000 0.475 376 Y N -0.013 120.383 120.300 0.159 0.000 2.220 376 Y HA -0.007 4.543 4.550 -0.000 0.000 0.291 376 Y C -0.473 175.192 175.900 -0.391 0.000 1.129 376 Y CA 0.822 58.880 58.100 -0.070 0.000 1.161 376 Y CB -2.412 36.054 38.460 0.010 0.000 0.997 376 Y HN 0.108 nan 8.280 nan 0.000 0.522 377 P HA -0.198 nan 4.420 nan 0.000 0.216 377 P C 1.553 178.575 177.300 -0.462 0.000 1.150 377 P CA 1.477 64.017 63.100 -0.933 0.000 0.837 377 P CB -0.224 30.824 31.700 -1.086 0.000 0.786 378 F N -0.503 119.234 119.950 -0.355 0.000 2.102 378 F HA -0.142 4.385 4.527 -0.000 0.000 0.298 378 F C 2.392 178.041 175.800 -0.252 0.000 1.105 378 F CA 1.502 59.372 58.000 -0.217 0.000 1.239 378 F CB -0.699 38.147 39.000 -0.256 0.000 0.991 378 F HN -0.228 nan 8.300 nan 0.000 0.474 379 M N -0.543 119.011 119.600 -0.076 0.000 2.108 379 M HA -0.281 4.198 4.480 -0.000 0.000 0.261 379 M C 2.353 178.591 176.300 -0.102 0.000 1.066 379 M CA 1.869 57.086 55.300 -0.139 0.000 1.107 379 M CB -0.649 31.870 32.600 -0.133 0.000 1.356 379 M HN 0.217 nan 8.290 nan 0.000 0.406 380 H N -0.154 118.948 119.070 0.054 0.000 2.321 380 H HA -0.033 4.523 4.556 -0.000 0.000 0.300 380 H C 2.148 177.498 175.328 0.035 0.000 1.087 380 H CA 1.790 57.921 56.048 0.138 0.000 1.319 380 H CB -0.850 29.140 29.762 0.379 0.000 1.379 380 H HN 0.516 nan 8.280 nan 0.000 0.501 381 A N 0.140 123.005 122.820 0.075 0.000 1.877 381 A HA -0.185 4.134 4.320 -0.000 0.000 0.216 381 A C 2.759 180.046 177.584 -0.494 0.000 1.186 381 A CA 2.045 54.155 52.037 0.121 0.000 0.620 381 A CB -0.830 18.248 19.000 0.130 0.000 0.822 381 A HN 0.410 nan 8.150 nan 0.000 0.443 382 S N -0.952 114.243 115.700 -0.842 0.000 2.383 382 S HA -0.148 4.321 4.470 -0.000 0.000 0.227 382 S C 2.078 176.324 174.600 -0.589 0.000 1.026 382 S CA 1.820 59.329 58.200 -1.152 0.000 0.981 382 S CB -0.252 62.613 63.200 -0.559 0.000 0.818 382 S HN 0.605 nan 8.310 nan 0.000 0.472 383 K N -1.012 119.148 120.400 -0.401 0.000 2.067 383 K HA 0.006 4.325 4.320 -0.000 0.000 0.203 383 K C 1.090 177.481 176.600 -0.349 0.000 1.048 383 K CA 1.174 57.201 56.287 -0.433 0.000 0.954 383 K CB -0.136 31.962 32.500 -0.669 0.000 0.737 383 K HN 0.469 nan 8.250 nan 0.000 0.444 384 Y N -0.933 119.433 120.300 0.111 0.000 2.458 384 Y HA 0.277 4.827 4.550 -0.000 0.000 0.256 384 Y C 1.397 177.397 175.900 0.167 0.000 1.159 384 Y CA -0.003 58.205 58.100 0.179 0.000 1.261 384 Y CB 0.724 39.355 38.460 0.286 0.000 1.119 384 Y HN 0.070 nan 8.280 nan 0.000 0.524 385 G N 0.998 109.941 108.800 0.237 0.000 3.678 385 G HA2 0.148 4.107 3.960 -0.000 0.000 0.287 385 G HA3 0.148 4.107 3.960 -0.000 0.000 0.287 385 G C 0.164 175.170 174.900 0.177 0.000 1.280 385 G CA -0.419 44.781 45.100 0.167 0.000 1.118 385 G HN -0.105 nan 8.290 nan 0.000 0.563 386 R N 0.627 121.186 120.500 0.098 0.000 2.265 386 R HA 0.701 5.041 4.340 -0.000 0.000 0.328 386 R C 0.400 176.716 176.300 0.026 0.000 0.969 386 R CA 0.242 56.394 56.100 0.086 0.000 0.832 386 R CB 1.365 31.697 30.300 0.053 0.000 1.139 386 R HN 0.380 nan 8.270 nan 0.000 0.457 387 G N 2.383 111.191 108.800 0.013 0.000 2.384 387 G HA2 0.030 3.990 3.960 -0.000 0.000 0.113 387 G HA3 0.030 3.990 3.960 -0.000 0.000 0.113 387 G C -1.309 173.579 174.900 -0.020 0.000 1.224 387 G CA -0.868 44.211 45.100 -0.034 0.000 1.126 387 G HN 0.359 nan 8.290 nan 0.000 0.461 388 I N 1.444 122.005 120.570 -0.015 0.000 2.389 388 I HA 0.462 4.632 4.170 -0.000 0.000 0.288 388 I C 0.200 176.337 176.117 0.032 0.000 0.999 388 I CA -1.028 60.286 61.300 0.024 0.000 1.129 388 I CB 1.975 40.014 38.000 0.065 0.000 1.288 388 I HN 0.284 nan 8.210 nan 0.000 0.444 389 V N 6.939 126.857 119.914 0.007 0.000 2.572 389 V HA 0.121 4.241 4.120 -0.000 0.000 0.291 389 V C 0.156 176.252 176.094 0.004 0.000 1.039 389 V CA -0.260 62.029 62.300 -0.019 0.000 1.055 389 V CB 0.738 32.537 31.823 -0.041 0.000 0.969 389 V HN 0.339 nan 8.190 nan 0.000 0.482 390 L N 3.820 125.034 121.223 -0.013 0.000 2.334 390 L HA 0.411 4.751 4.340 -0.000 0.000 0.275 390 L C 0.362 177.192 176.870 -0.066 0.000 1.036 390 L CA -0.233 54.605 54.840 -0.003 0.000 0.807 390 L CB 1.217 43.276 42.059 -0.001 0.000 1.231 390 L HN 0.565 nan 8.230 nan 0.000 0.438 391 Q N 4.420 124.159 119.800 -0.101 0.000 2.239 391 Q HA 0.063 4.403 4.340 -0.000 0.000 0.286 391 Q C -2.017 173.838 176.000 -0.242 0.000 1.102 391 Q CA -1.049 54.613 55.803 -0.235 0.000 0.936 391 Q CB 0.549 28.979 28.738 -0.512 0.000 1.127 391 Q HN 0.244 nan 8.270 nan 0.000 0.380 392 P HA 0.048 nan 4.420 nan 0.000 0.244 392 P C -0.534 176.674 177.300 -0.153 0.000 1.769 392 P CA -0.123 62.890 63.100 -0.144 0.000 1.102 392 P CB -0.193 31.441 31.700 -0.111 0.000 1.937 393 V N 4.607 124.409 119.914 -0.188 0.000 2.479 393 V HA 0.250 4.370 4.120 -0.000 0.000 0.281 393 V C 0.812 176.851 176.094 -0.092 0.000 1.031 393 V CA -0.096 62.110 62.300 -0.158 0.000 1.038 393 V CB 0.348 32.061 31.823 -0.183 0.000 0.981 393 V HN 0.408 nan 8.190 nan 0.000 0.478 394 I N 4.318 124.847 120.570 -0.068 0.000 2.722 394 I HA 0.507 4.676 4.170 -0.000 0.000 0.292 394 I C -1.143 174.957 176.117 -0.028 0.000 1.267 394 I CA -0.519 60.755 61.300 -0.044 0.000 1.036 394 I CB 2.348 40.321 38.000 -0.045 0.000 1.281 394 I HN 0.733 nan 8.210 nan 0.000 0.423 395 N N 4.254 122.944 118.700 -0.017 0.000 2.577 395 N HA 0.367 5.106 4.740 -0.000 0.000 0.275 395 N C -1.645 173.866 175.510 0.001 0.000 1.091 395 N CA -0.221 52.825 53.050 -0.007 0.000 0.843 395 N CB 1.479 39.963 38.487 -0.005 0.000 1.295 395 N HN 0.491 nan 8.380 nan 0.000 0.530 396 S N 2.955 118.658 115.700 0.006 0.000 2.532 396 S HA 0.669 5.139 4.470 -0.000 0.000 0.301 396 S C -2.556 172.061 174.600 0.028 0.000 1.083 396 S CA -1.352 56.859 58.200 0.018 0.000 1.025 396 S CB 0.789 64.001 63.200 0.021 0.000 1.056 396 S HN 0.290 nan 8.310 nan 0.000 0.494 397 P HA 0.271 nan 4.420 nan 0.000 0.267 397 P C -0.696 176.649 177.300 0.075 0.000 1.200 397 P CA -0.086 63.047 63.100 0.055 0.000 0.772 397 P CB 0.139 31.877 31.700 0.064 0.000 0.855 398 L N 2.894 124.157 121.223 0.067 0.000 2.330 398 L HA 0.807 5.147 4.340 -0.000 0.000 0.271 398 L C 0.227 177.163 176.870 0.110 0.000 1.013 398 L CA -0.848 54.018 54.840 0.044 0.000 0.816 398 L CB 1.017 nan 42.059 nan 0.000 1.287 398 L HN 0.796 nan 8.230 nan 0.000 0.435 399 H N -0.512 118.578 119.070 0.033 0.000 2.930 399 H HA 0.694 5.250 4.556 -0.000 0.000 0.371 399 H C -1.844 173.512 175.328 0.047 0.000 1.169 399 H CA -0.974 55.100 56.048 0.043 0.000 1.157 399 H CB 2.018 31.811 29.762 0.053 0.000 1.789 399 H HN 0.637 nan 8.280 nan 0.000 0.547 400 D N 2.029 122.501 120.400 0.121 0.000 2.175 400 D HA 0.283 4.923 4.640 -0.000 0.000 0.248 400 D C 0.624 177.031 176.300 0.179 0.000 1.047 400 D CA 0.032 54.082 54.000 0.084 0.000 0.883 400 D CB 2.183 43.027 40.800 0.073 0.000 1.180 400 D HN 0.734 nan 8.370 nan 0.000 0.438 401 T N -2.752 111.894 114.554 0.154 0.000 2.870 401 T HA 0.334 4.683 4.350 -0.000 0.000 0.277 401 T C 1.409 176.184 174.700 0.125 0.000 1.000 401 T CA -0.321 61.884 62.100 0.176 0.000 0.982 401 T CB 0.900 69.890 68.868 0.204 0.000 1.249 401 T HN 0.186 nan 8.240 nan 0.000 0.589 402 S N 0.110 115.878 115.700 0.113 0.000 2.399 402 S HA -0.064 4.406 4.470 -0.000 0.000 0.231 402 S C 1.330 175.951 174.600 0.036 0.000 1.022 402 S CA 0.764 59.007 58.200 0.071 0.000 0.983 402 S CB -0.562 62.678 63.200 0.065 0.000 0.803 402 S HN 0.760 nan 8.310 nan 0.000 0.480 403 K N -0.200 120.219 120.400 0.031 0.000 2.483 403 K HA 0.319 4.638 4.320 -0.000 0.000 0.206 403 K C -0.843 175.551 176.600 -0.343 0.000 1.086 403 K CA -0.134 56.078 56.287 -0.125 0.000 1.052 403 K CB 0.697 33.104 32.500 -0.155 0.000 0.904 403 K HN 0.455 nan 8.250 nan 0.000 0.557 404 H N 0.095 119.168 119.070 0.005 0.000 2.821 404 H HA 0.329 4.885 4.556 -0.000 0.000 0.373 404 H C -0.997 174.318 175.328 -0.023 0.000 1.165 404 H CA -0.715 55.325 56.048 -0.014 0.000 1.154 404 H CB 1.828 31.569 29.762 -0.034 0.000 1.765 404 H HN -0.060 nan 8.280 nan 0.000 0.549 405 E N 0.894 121.149 120.200 0.091 0.000 2.256 405 E HA 0.205 4.554 4.350 -0.000 0.000 0.267 405 E C -0.839 175.758 176.600 -0.006 0.000 0.892 405 E CA -0.910 55.508 56.400 0.031 0.000 0.775 405 E CB 1.515 31.228 29.700 0.021 0.000 1.207 405 E HN 0.587 nan 8.360 nan 0.000 0.420 406 D N 0.500 120.878 120.400 -0.036 0.000 2.686 406 D HA -0.142 4.498 4.640 -0.000 0.000 0.235 406 D C -0.639 175.590 176.300 -0.118 0.000 1.160 406 D CA 0.610 54.575 54.000 -0.059 0.000 0.645 406 D CB -1.428 39.359 40.800 -0.021 0.000 1.039 406 D HN 0.063 nan 8.370 nan 0.000 0.423 407 V N 1.027 120.787 119.914 -0.258 0.000 2.488 407 V HA 0.189 4.309 4.120 -0.000 0.000 0.277 407 V C 1.450 177.341 176.094 -0.339 0.000 1.046 407 V CA -0.292 61.796 62.300 -0.353 0.000 0.986 407 V CB 1.230 32.726 31.823 -0.546 0.000 0.989 407 V HN 0.392 nan 8.190 nan 0.000 0.475 408 T N 0.664 115.136 114.554 -0.137 0.000 2.902 408 T HA 0.052 4.402 4.350 -0.000 0.000 0.301 408 T C 0.657 175.396 174.700 0.065 0.000 1.012 408 T CA -0.421 61.661 62.100 -0.030 0.000 1.151 408 T CB 0.678 69.537 68.868 -0.014 0.000 0.946 408 T HN 0.633 nan 8.240 nan 0.000 0.542 409 D N 1.313 121.803 120.400 0.150 0.000 2.117 409 D HA 0.062 4.702 4.640 -0.000 0.000 0.198 409 D C 0.475 176.838 176.300 0.106 0.000 0.982 409 D CA 0.851 54.970 54.000 0.199 0.000 0.828 409 D CB -0.129 40.764 40.800 0.155 0.000 0.967 409 D HN 0.520 nan 8.370 nan 0.000 0.464 410 I N 0.558 121.167 120.570 0.066 0.000 2.353 410 I HA 0.188 4.357 4.170 -0.000 0.000 0.293 410 I C -0.456 175.677 176.117 0.027 0.000 0.992 410 I CA -0.505 60.819 61.300 0.041 0.000 1.268 410 I CB 1.599 39.615 38.000 0.027 0.000 1.387 410 I HN -0.273 nan 8.210 nan 0.000 0.478 411 E N 4.531 124.747 120.200 0.027 0.000 2.185 411 E HA 0.634 4.984 4.350 -0.000 0.000 0.261 411 E C -1.369 175.244 176.600 0.021 0.000 0.879 411 E CA -0.230 56.181 56.400 0.019 0.000 0.756 411 E CB 1.282 30.996 29.700 0.022 0.000 1.152 411 E HN 0.422 nan 8.360 nan 0.000 0.416 412 S N 2.867 118.569 115.700 0.003 0.000 2.546 412 S HA 0.805 5.275 4.470 -0.000 0.000 0.274 412 S C -1.591 172.994 174.600 -0.026 0.000 1.121 412 S CA -0.533 57.665 58.200 -0.004 0.000 0.887 412 S CB 1.020 64.210 63.200 -0.017 0.000 1.094 412 S HN 0.399 nan 8.310 nan 0.000 0.474 413 V N 0.895 120.788 119.914 -0.035 0.000 2.888 413 V HA 0.969 5.089 4.120 -0.000 0.000 0.309 413 V C -0.294 175.711 176.094 -0.149 0.000 1.114 413 V CA -1.006 61.241 62.300 -0.089 0.000 0.940 413 V CB 1.127 32.892 31.823 -0.097 0.000 1.021 413 V HN 1.127 nan 8.190 nan 0.000 0.426 414 A N 4.505 127.240 122.820 -0.141 0.000 2.318 414 A HA 0.960 5.280 4.320 -0.000 0.000 0.324 414 A C -0.553 176.944 177.584 -0.145 0.000 1.170 414 A CA -0.586 51.360 52.037 -0.152 0.000 0.810 414 A CB 1.006 19.950 19.000 -0.093 0.000 1.198 414 A HN 1.755 nan 8.150 nan 0.000 0.484 415 I N -0.192 120.266 120.570 -0.186 0.000 2.474 415 I HA 0.660 4.830 4.170 -0.000 0.000 0.294 415 I C -1.093 175.035 176.117 0.019 0.000 1.005 415 I CA -0.794 60.448 61.300 -0.097 0.000 1.113 415 I CB 1.557 39.463 38.000 -0.156 0.000 1.289 415 I HN 0.551 nan 8.210 nan 0.000 0.436 416 Y N 6.534 126.794 120.300 -0.067 0.000 2.385 416 Y HA 0.482 5.032 4.550 -0.000 0.000 0.341 416 Y C -0.624 175.264 175.900 -0.021 0.000 0.965 416 Y CA -1.005 57.071 58.100 -0.040 0.000 1.180 416 Y CB 0.653 39.099 38.460 -0.024 0.000 1.139 416 Y HN 0.758 nan 8.280 nan 0.000 0.502 417 N N 5.336 123.885 118.700 -0.253 0.000 2.420 417 N HA 0.053 4.793 4.740 -0.000 0.000 0.249 417 N C 0.220 175.393 175.510 -0.561 0.000 1.033 417 N CA 0.133 52.988 53.050 -0.324 0.000 0.944 417 N CB 0.930 39.348 38.487 -0.114 0.000 1.113 417 N HN 0.991 nan 8.380 nan 0.000 0.502 418 E N 2.192 122.014 120.200 -0.630 0.000 2.474 418 E HA 0.039 4.388 4.350 -0.000 0.000 0.195 418 E C 0.173 176.620 176.600 -0.255 0.000 1.039 418 E CA 0.243 56.228 56.400 -0.692 0.000 0.881 418 E CB 0.412 29.762 29.700 -0.583 0.000 0.970 418 E HN 0.623 nan 8.360 nan 0.000 0.486 419 E N 0.025 120.119 120.200 -0.178 0.000 2.693 419 E HA 0.120 4.470 4.350 -0.000 0.000 0.214 419 E C 0.423 176.991 176.600 -0.055 0.000 0.990 419 E CA 0.050 56.398 56.400 -0.085 0.000 1.047 419 E CB 0.520 30.179 29.700 -0.068 0.000 1.039 419 E HN -0.037 nan 8.360 nan 0.000 0.475 420 K N 0.144 120.506 120.400 -0.062 0.000 2.608 420 K HA 0.079 4.398 4.320 -0.000 0.000 0.214 420 K C -0.598 175.999 176.600 -0.006 0.000 1.469 420 K CA -0.038 56.234 56.287 -0.025 0.000 1.012 420 K CB 0.957 33.444 32.500 -0.021 0.000 1.211 420 K HN -0.004 nan 8.250 nan 0.000 0.627 421 E N 2.100 122.293 120.200 -0.012 0.000 2.149 421 E HA -0.233 4.117 4.350 -0.000 0.000 0.191 421 E C -1.099 175.552 176.600 0.085 0.000 1.384 421 E CA 0.889 57.329 56.400 0.066 0.000 0.698 421 E CB -0.862 28.889 29.700 0.085 0.000 1.086 421 E HN 0.298 nan 8.360 nan 0.000 0.338 422 E N -0.446 119.793 120.200 0.064 0.000 2.266 422 E HA 0.531 4.881 4.350 -0.000 0.000 0.268 422 E C -0.807 175.867 176.600 0.123 0.000 0.879 422 E CA -0.893 55.545 56.400 0.063 0.000 0.762 422 E CB 2.436 32.153 29.700 0.029 0.000 1.199 422 E HN -0.046 nan 8.360 nan 0.000 0.422 423 V N 1.930 121.890 119.914 0.076 0.000 2.495 423 V HA 0.431 4.551 4.120 -0.000 0.000 0.298 423 V C -0.504 175.570 176.094 -0.034 0.000 1.031 423 V CA -0.580 61.757 62.300 0.060 0.000 0.871 423 V CB 2.045 33.883 31.823 0.024 0.000 0.988 423 V HN 0.711 nan 8.190 nan 0.000 0.432 424 T N 5.772 120.293 114.554 -0.054 0.000 2.809 424 T HA 0.636 4.986 4.350 -0.000 0.000 0.284 424 T C -0.415 174.198 174.700 -0.145 0.000 0.992 424 T CA -0.176 61.878 62.100 -0.077 0.000 0.957 424 T CB 1.150 70.019 68.868 0.002 0.000 0.942 424 T HN 0.374 nan 8.240 nan 0.000 0.439 425 I N 3.970 124.502 120.570 -0.063 0.000 2.321 425 I HA 0.377 4.547 4.170 -0.000 0.000 0.291 425 I C -0.728 175.461 176.117 0.119 0.000 0.998 425 I CA -0.732 60.538 61.300 -0.051 0.000 1.227 425 I CB 0.730 38.699 38.000 -0.052 0.000 1.368 425 I HN 0.439 nan 8.210 nan 0.000 0.466 426 F N 5.293 125.118 119.950 -0.208 0.000 2.410 426 F HA 0.696 5.223 4.527 -0.000 0.000 0.349 426 F C 0.497 176.121 175.800 -0.294 0.000 1.117 426 F CA -1.441 56.340 58.000 -0.366 0.000 1.104 426 F CB 1.285 40.132 39.000 -0.255 0.000 1.122 426 F HN 0.388 nan 8.300 nan 0.000 0.483 427 A N 3.372 126.067 122.820 -0.209 0.000 2.455 427 A HA 0.828 5.148 4.320 -0.000 0.000 0.300 427 A C -1.556 175.972 177.584 -0.093 0.000 1.040 427 A CA -0.617 51.359 52.037 -0.101 0.000 0.697 427 A CB 1.611 20.576 19.000 -0.058 0.000 1.265 427 A HN 0.462 nan 8.150 nan 0.000 0.407 428 V N 1.635 121.560 119.914 0.018 0.000 2.823 428 V HA 0.672 4.791 4.120 -0.000 0.000 0.312 428 V C -0.628 175.505 176.094 0.065 0.000 1.072 428 V CA -0.626 61.722 62.300 0.079 0.000 0.937 428 V CB 2.305 34.220 31.823 0.154 0.000 1.013 428 V HN 0.993 nan 8.190 nan 0.000 0.430 429 N N 2.421 121.166 118.700 0.075 0.000 2.751 429 N HA 0.191 4.931 4.740 -0.000 0.000 0.238 429 N C 0.173 175.719 175.510 0.061 0.000 1.351 429 N CA -0.780 52.308 53.050 0.064 0.000 0.751 429 N CB 0.642 39.164 38.487 0.060 0.000 1.342 429 N HN 0.681 nan 8.380 nan 0.000 0.540 430 R N 1.491 122.016 120.500 0.042 0.000 1.450 430 R HA -0.248 4.091 4.340 -0.000 0.000 0.161 430 R C -0.189 176.114 176.300 0.004 0.000 0.399 430 R CA 1.222 57.332 56.100 0.018 0.000 0.310 430 R CB -1.236 29.096 30.300 0.054 0.000 1.701 430 R HN 0.626 nan 8.270 nan 0.000 0.578 431 N N 2.244 120.920 118.700 -0.040 0.000 2.297 431 N HA -0.046 4.694 4.740 -0.000 0.000 0.208 431 N C 0.663 176.087 175.510 -0.143 0.000 1.176 431 N CA 0.407 53.365 53.050 -0.153 0.000 0.882 431 N CB 0.434 38.883 38.487 -0.064 0.000 1.134 431 N HN 0.577 nan 8.380 nan 0.000 0.489 432 I N 0.949 121.486 120.570 -0.055 0.000 6.173 432 I HA -0.387 3.783 4.170 -0.000 0.000 0.126 432 I C -1.074 174.981 176.117 -0.103 0.000 1.821 432 I CA 1.453 62.697 61.300 -0.093 0.000 2.040 432 I CB -1.775 36.102 38.000 -0.205 0.000 3.448 432 I HN 0.572 nan 8.210 nan 0.000 0.170 433 H N -0.073 119.005 119.070 0.013 0.000 1.800 433 H HA 0.085 4.641 4.556 -0.000 0.000 0.115 433 H C -0.004 175.325 175.328 0.003 0.000 1.288 433 H CA 0.054 56.102 56.048 0.001 0.000 0.430 433 H CB -0.210 29.536 29.762 -0.027 0.000 0.317 433 H HN 0.472 nan 8.280 nan 0.000 0.206 434 E N 2.674 122.961 120.200 0.145 0.000 2.191 434 E HA 0.170 4.519 4.350 -0.000 0.000 0.278 434 E C -1.244 175.392 176.600 0.060 0.000 0.972 434 E CA -0.610 55.834 56.400 0.073 0.000 0.804 434 E CB 1.562 31.293 29.700 0.053 0.000 1.110 434 E HN 0.154 nan 8.360 nan 0.000 0.394 435 D N 3.123 123.551 120.400 0.047 0.000 2.345 435 D HA 0.248 4.888 4.640 -0.000 0.000 0.247 435 D C 0.149 176.467 176.300 0.030 0.000 1.108 435 D CA 0.113 54.136 54.000 0.039 0.000 0.894 435 D CB 0.818 41.636 40.800 0.029 0.000 1.203 435 D HN 0.350 nan 8.370 nan 0.000 0.430 436 I N -1.981 118.607 120.570 0.029 0.000 2.730 436 I HA 0.440 4.609 4.170 -0.000 0.000 0.298 436 I C -0.557 175.568 176.117 0.013 0.000 1.089 436 I CA -1.372 59.942 61.300 0.022 0.000 1.041 436 I CB 2.140 40.157 38.000 0.029 0.000 1.235 436 I HN 0.027 nan 8.210 nan 0.000 0.423 437 V N 6.201 126.118 119.914 0.006 0.000 2.406 437 V HA 0.397 4.516 4.120 -0.000 0.000 0.272 437 V C -0.592 175.501 176.094 -0.000 0.000 1.043 437 V CA -0.431 61.867 62.300 -0.004 0.000 0.915 437 V CB 1.311 33.129 31.823 -0.008 0.000 0.988 437 V HN 0.637 nan 8.190 nan 0.000 0.466 438 L N 7.716 128.937 121.223 -0.004 0.000 2.259 438 L HA 0.495 4.835 4.340 -0.000 0.000 0.288 438 L C -0.192 176.678 176.870 -0.000 0.000 1.051 438 L CA 0.258 55.098 54.840 0.000 0.000 0.824 438 L CB 1.505 43.565 42.059 0.002 0.000 1.206 438 L HN 0.582 nan 8.230 nan 0.000 0.429 439 V N 5.769 125.685 119.914 0.003 0.000 2.356 439 V HA 0.364 4.484 4.120 -0.000 0.000 0.258 439 V C 0.054 176.155 176.094 0.012 0.000 1.065 439 V CA 0.068 62.373 62.300 0.008 0.000 0.935 439 V CB 0.689 32.515 31.823 0.005 0.000 1.061 439 V HN 0.908 nan 8.190 nan 0.000 0.484 440 S N 5.525 121.239 115.700 0.024 0.000 2.404 440 S HA 0.224 4.694 4.470 -0.000 0.000 0.309 440 S C -0.157 174.472 174.600 0.048 0.000 1.076 440 S CA -0.360 57.854 58.200 0.025 0.000 1.095 440 S CB 0.632 63.843 63.200 0.017 0.000 0.972 440 S HN 0.898 nan 8.310 nan 0.000 0.484 441 D N 3.772 124.189 120.400 0.029 0.000 2.470 441 D HA 0.034 4.674 4.640 -0.000 0.000 0.226 441 D C -0.253 176.069 176.300 0.038 0.000 1.196 441 D CA -0.189 53.830 54.000 0.033 0.000 0.979 441 D CB 0.310 41.119 40.800 0.014 0.000 1.059 441 D HN 0.212 nan 8.370 nan 0.000 0.515 442 V N 5.135 125.095 119.914 0.077 0.000 2.421 442 V HA 0.088 4.208 4.120 -0.000 0.000 0.271 442 V C 1.309 177.431 176.094 0.046 0.000 1.031 442 V CA 0.156 62.496 62.300 0.067 0.000 1.032 442 V CB 0.538 32.438 31.823 0.129 0.000 1.009 442 V HN 0.426 nan 8.190 nan 0.000 0.477 443 R N 4.186 124.693 120.500 0.013 0.000 2.427 443 R HA 0.305 4.644 4.340 -0.000 0.000 0.262 443 R C 1.476 177.768 176.300 -0.014 0.000 0.943 443 R CA 0.725 56.828 56.100 0.004 0.000 1.081 443 R CB 0.379 30.685 30.300 0.010 0.000 1.166 443 R HN 0.854 nan 8.270 nan 0.000 0.534 444 G N -0.212 108.572 108.800 -0.027 0.000 2.664 444 G HA2 0.116 4.076 3.960 -0.000 0.000 0.216 444 G HA3 0.116 4.076 3.960 -0.000 0.000 0.216 444 G C 0.086 174.970 174.900 -0.025 0.000 1.243 444 G CA 0.332 45.396 45.100 -0.059 0.000 0.859 444 G HN 0.131 nan 8.290 nan 0.000 0.574 450 L N 5.626 126.833 121.223 -0.027 0.000 2.315 450 L HA 0.460 4.800 4.340 -0.000 0.000 0.283 450 L C 0.371 177.203 176.870 -0.062 0.000 1.089 450 L CA 0.563 55.321 54.840 -0.138 0.000 0.833 450 L CB 0.810 42.837 42.059 -0.053 0.000 1.170 450 L HN 0.705 nan 8.230 nan 0.000 0.442 451 L N 4.556 125.724 121.223 -0.091 0.000 2.221 451 L HA 0.438 4.778 4.340 -0.000 0.000 0.202 451 L C 0.882 177.721 176.870 -0.053 0.000 1.074 451 L CA 1.505 56.309 54.840 -0.059 0.000 0.795 451 L CB -0.932 41.082 42.059 -0.074 0.000 0.960 451 L HN 0.908 nan 8.230 nan 0.000 0.458 452 E N -2.223 117.932 120.200 -0.075 0.000 2.411 452 E HA 0.363 4.713 4.350 -0.000 0.000 0.279 452 E C -1.474 175.100 176.600 -0.044 0.000 1.132 452 E CA -0.583 55.785 56.400 -0.054 0.000 0.876 452 E CB 0.473 30.131 29.700 -0.069 0.000 1.335 452 E HN 0.372 nan 8.360 nan 0.000 0.436 453 H N 1.049 120.043 119.070 -0.127 0.000 2.953 453 H HA 0.462 5.018 4.556 -0.000 0.000 0.290 453 H C -1.224 174.018 175.328 -0.143 0.000 1.113 453 H CA -0.418 55.544 56.048 -0.143 0.000 1.454 453 H CB 0.444 30.143 29.762 -0.106 0.000 1.525 453 H HN 0.463 nan 8.280 nan 0.000 0.505 454 I N 4.960 125.247 120.570 -0.471 0.000 2.474 454 I HA 0.258 4.428 4.170 -0.000 0.000 0.287 454 I C -0.243 175.580 176.117 -0.489 0.000 1.048 454 I CA -0.665 60.400 61.300 -0.391 0.000 1.383 454 I CB 1.327 39.086 38.000 -0.401 0.000 1.412 454 I HN 0.307 nan 8.210 nan 0.000 0.531 455 V N 7.445 127.220 119.914 -0.231 0.000 2.914 455 V HA 0.578 4.698 4.120 -0.000 0.000 0.314 455 V C -1.315 174.823 176.094 0.073 0.000 1.084 455 V CA -0.711 61.519 62.300 -0.117 0.000 0.963 455 V CB 2.547 34.348 31.823 -0.037 0.000 1.025 455 V HN 0.518 nan 8.190 nan 0.000 0.432 456 L N 5.771 127.127 121.223 0.222 0.000 2.471 456 L HA 0.636 4.976 4.340 -0.000 0.000 0.263 456 L C -0.484 176.636 176.870 0.418 0.000 0.985 456 L CA 0.201 55.247 54.840 0.344 0.000 0.868 456 L CB 1.320 43.726 42.059 0.578 0.000 1.203 456 L HN 0.849 nan 8.230 nan 0.000 0.429 457 E N 2.336 122.611 120.200 0.125 0.000 2.446 457 E HA 0.616 4.965 4.350 -0.000 0.000 0.276 457 E C -1.507 174.709 176.600 -0.641 0.000 0.969 457 E CA -0.990 55.341 56.400 -0.115 0.000 0.800 457 E CB 2.789 32.478 29.700 -0.019 0.000 1.341 457 E HN 0.534 nan 8.360 nan 0.000 0.460 458 H N -1.009 117.460 119.070 -1.002 0.000 3.037 458 H HA 0.088 4.644 4.556 -0.000 0.000 0.336 458 H C -0.289 174.842 175.328 -0.329 0.000 1.323 458 H CA -0.331 55.308 56.048 -0.682 0.000 1.159 458 H CB 2.230 31.492 29.762 -0.833 0.000 1.882 458 H HN 0.577 nan 8.280 nan 0.000 0.535 459 Q N 0.680 120.331 119.800 -0.249 0.000 2.311 459 Q HA 0.040 4.379 4.340 -0.000 0.000 0.203 459 Q C -0.490 175.583 176.000 0.122 0.000 0.954 459 Q CA 1.099 56.873 55.803 -0.048 0.000 0.885 459 Q CB 0.518 29.191 28.738 -0.107 0.000 0.963 459 Q HN 0.448 nan 8.270 nan 0.000 0.471 460 D N -0.864 119.723 120.400 0.311 0.000 2.462 460 D HA 0.146 4.786 4.640 -0.000 0.000 0.245 460 D C 0.179 176.625 176.300 0.242 0.000 1.122 460 D CA -0.243 53.909 54.000 0.254 0.000 0.864 460 D CB 0.807 41.745 40.800 0.232 0.000 1.098 460 D HN 0.181 nan 8.370 nan 0.000 0.541 461 L N 2.685 124.076 121.223 0.280 0.000 2.265 461 L HA -0.051 4.289 4.340 -0.000 0.000 0.215 461 L C 1.954 179.003 176.870 0.298 0.000 1.117 461 L CA 0.784 55.863 54.840 0.399 0.000 0.782 461 L CB -0.127 42.107 42.059 0.291 0.000 0.914 461 L HN 0.256 nan 8.230 nan 0.000 0.441 462 K N -0.279 120.232 120.400 0.184 0.000 2.404 462 K HA 0.183 4.502 4.320 -0.000 0.000 0.194 462 K C 0.657 177.302 176.600 0.074 0.000 1.023 462 K CA -0.130 56.234 56.287 0.127 0.000 1.094 462 K CB 0.347 32.898 32.500 0.084 0.000 0.841 462 K HN 0.103 nan 8.250 nan 0.000 0.523 463 I N 2.245 122.835 120.570 0.033 0.000 2.754 463 I HA -0.041 4.129 4.170 -0.000 0.000 0.285 463 I C 0.446 176.551 176.117 -0.020 0.000 1.166 463 I CA 0.420 61.666 61.300 -0.090 0.000 1.417 463 I CB 0.271 38.008 38.000 -0.439 0.000 1.382 463 I HN 0.090 nan 8.210 nan 0.000 0.588 464 R N 4.517 125.004 120.500 -0.022 0.000 2.912 464 R HA 0.453 4.792 4.340 -0.000 0.000 0.262 464 R C -0.731 175.594 176.300 0.041 0.000 1.057 464 R CA -0.992 55.137 56.100 0.049 0.000 0.981 464 R CB 1.297 31.613 30.300 0.026 0.000 1.201 464 R HN 0.518 nan 8.270 nan 0.000 0.484 465 N N -0.102 118.673 118.700 0.124 0.000 2.482 465 N HA 0.419 5.159 4.740 -0.000 0.000 0.279 465 N C -0.607 174.783 175.510 -0.199 0.000 1.182 465 N CA -0.363 52.730 53.050 0.073 0.000 0.969 465 N CB 1.759 40.410 38.487 0.274 0.000 1.201 465 N HN 0.685 nan 8.380 nan 0.000 0.523 466 S N -2.137 113.187 115.700 -0.627 0.000 2.790 466 S HA 0.257 4.726 4.470 -0.000 0.000 0.292 466 S C 0.480 174.089 174.600 -1.652 0.000 1.197 466 S CA -0.683 56.721 58.200 -1.328 0.000 0.851 466 S CB 0.583 63.405 63.200 -0.629 0.000 1.217 466 S HN 0.129 nan 8.310 nan 0.000 0.526 467 V N 1.398 120.414 119.914 -1.497 0.000 2.913 467 V HA 0.039 4.158 4.120 -0.000 0.000 0.260 467 V C 0.037 175.856 176.094 -0.459 0.000 1.098 467 V CA 1.481 63.193 62.300 -0.980 0.000 1.121 467 V CB -1.082 30.447 31.823 -0.490 0.000 0.714 467 V HN 0.740 nan 8.190 nan 0.000 0.487 468 N N 1.661 120.122 118.700 -0.399 0.000 3.194 468 N HA 0.396 5.136 4.740 -0.000 0.000 0.271 468 N C 0.363 175.750 175.510 -0.205 0.000 1.308 468 N CA 0.631 53.539 53.050 -0.237 0.000 1.042 468 N CB 0.727 39.108 38.487 -0.177 0.000 1.310 468 N HN 0.420 nan 8.380 nan 0.000 0.502 469 G N 1.432 110.121 108.800 -0.185 0.000 2.892 469 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.686 469 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.686 469 G C -0.096 174.737 174.900 -0.112 0.000 1.244 469 G CA -0.006 45.024 45.100 -0.117 0.000 0.947 469 G HN 0.625 nan 8.290 nan 0.000 0.584 470 E N -0.387 119.813 120.200 -0.001 0.000 2.386 470 E HA -0.146 4.204 4.350 -0.000 0.000 0.263 470 E C 1.127 177.832 176.600 0.174 0.000 1.080 470 E CA 1.483 57.941 56.400 0.096 0.000 0.761 470 E CB -1.147 28.538 29.700 -0.026 0.000 1.311 470 E HN 0.712 nan 8.360 nan 0.000 0.396 471 E N -0.976 119.337 120.200 0.188 0.000 2.385 471 E HA 0.058 4.407 4.350 -0.000 0.000 0.194 471 E C 0.748 177.539 176.600 0.319 0.000 1.013 471 E CA 0.991 57.536 56.400 0.241 0.000 0.866 471 E CB 0.752 30.501 29.700 0.082 0.000 0.832 471 E HN 0.264 nan 8.360 nan 0.000 0.500 472 V N 0.207 120.311 119.914 0.317 0.000 2.487 472 V HA 0.572 4.692 4.120 -0.000 0.000 0.298 472 V C -1.370 174.984 176.094 0.434 0.000 1.028 472 V CA -0.778 61.697 62.300 0.292 0.000 0.860 472 V CB 0.689 32.672 31.823 0.267 0.000 0.991 472 V HN 0.158 nan 8.190 nan 0.000 0.427 473 Y N 3.692 124.043 120.300 0.085 0.000 2.592 473 Y HA 0.856 5.406 4.550 -0.000 0.000 0.334 473 Y C -3.126 172.632 175.900 -0.238 0.000 1.136 473 Y CA -2.868 55.094 58.100 -0.229 0.000 1.042 473 Y CB 1.249 39.624 38.460 -0.141 0.000 1.325 473 Y HN 0.485 nan 8.280 nan 0.000 0.457 474 P HA 0.131 nan 4.420 nan 0.000 0.265 474 P C -1.108 176.165 177.300 -0.045 0.000 1.222 474 P CA 0.061 63.120 63.100 -0.069 0.000 0.767 474 P CB 0.817 32.575 31.700 0.098 0.000 0.801 475 K N 3.134 123.473 120.400 -0.101 0.000 2.227 475 K HA 0.186 4.506 4.320 -0.000 0.000 0.280 475 K C 0.344 176.929 176.600 -0.025 0.000 1.041 475 K CA -0.496 55.747 56.287 -0.073 0.000 0.905 475 K CB 0.515 32.935 32.500 -0.133 0.000 1.068 475 K HN 0.239 nan 8.250 nan 0.000 0.470 476 N N 2.052 120.756 118.700 0.006 0.000 2.918 476 N HA 0.083 4.823 4.740 -0.000 0.000 0.247 476 N C -1.238 174.280 175.510 0.014 0.000 1.117 476 N CA 0.065 53.117 53.050 0.003 0.000 1.005 476 N CB 0.358 38.860 38.487 0.025 0.000 1.297 476 N HN 0.399 nan 8.380 nan 0.000 0.513 477 S N 1.216 116.932 115.700 0.026 0.000 2.874 477 S HA 0.710 5.180 4.470 -0.000 0.000 0.318 477 S C -1.070 173.583 174.600 0.089 0.000 1.109 477 S CA -0.662 57.567 58.200 0.049 0.000 0.878 477 S CB 1.024 64.247 63.200 0.039 0.000 1.307 477 S HN 0.573 nan 8.310 nan 0.000 0.592 478 D N -0.082 120.346 120.400 0.047 0.000 6.144 478 D HA 0.287 4.926 4.640 -0.000 0.000 0.308 478 D C -0.534 175.744 176.300 -0.036 0.000 2.402 478 D CA 1.276 55.276 54.000 -0.001 0.000 1.542 478 D CB -0.950 39.840 40.800 -0.018 0.000 1.077 478 D HN 1.195 nan 8.370 nan 0.000 1.194 479 K N -1.559 118.793 120.400 -0.079 0.000 2.549 479 K HA 0.536 4.856 4.320 -0.000 0.000 0.246 479 K C -0.012 176.462 176.600 -0.210 0.000 1.194 479 K CA 1.477 57.694 56.287 -0.116 0.000 0.598 479 K CB -1.638 30.806 32.500 -0.093 0.000 2.123 479 K HN 2.147 nan 8.250 nan 0.000 0.534 480 S N -0.956 114.653 115.700 -0.151 0.000 3.191 480 S HA 0.522 4.991 4.470 -0.000 0.000 0.218 480 S C -0.431 174.126 174.600 -0.072 0.000 0.430 480 S CA 1.037 59.144 58.200 -0.154 0.000 0.685 480 S CB -0.591 62.402 63.200 -0.345 0.000 0.700 480 S HN 2.341 nan 8.310 nan 0.000 0.714 481 S N 3.231 118.940 115.700 0.015 0.000 3.523 481 S HA 0.242 4.712 4.470 -0.000 0.000 0.263 481 S C -1.485 173.208 174.600 0.155 0.000 0.591 481 S CA -0.112 58.115 58.200 0.046 0.000 0.969 481 S CB -1.069 62.127 63.200 -0.007 0.000 0.795 481 S HN 1.938 nan 8.310 nan 0.000 0.829 482 F N 4.995 124.923 119.950 -0.037 0.000 2.941 482 F HA 0.533 5.059 4.527 -0.000 0.000 0.359 482 F C -1.138 174.648 175.800 -0.023 0.000 1.231 482 F CA -0.709 57.273 58.000 -0.029 0.000 1.089 482 F CB 1.024 40.008 39.000 -0.026 0.000 1.407 482 F HN 0.445 nan 8.300 nan 0.000 0.538 483 D N 3.818 123.990 120.400 -0.381 0.000 2.457 483 D HA 0.341 4.981 4.640 -0.000 0.000 0.240 483 D C 0.370 176.391 176.300 -0.465 0.000 1.041 483 D CA -0.360 53.418 54.000 -0.370 0.000 0.861 483 D CB 1.621 42.318 40.800 -0.172 0.000 1.394 483 D HN 0.504 nan 8.370 nan 0.000 0.473 484 D N 1.763 121.939 120.400 -0.373 0.000 4.450 484 D HA -0.253 4.387 4.640 -0.000 0.000 0.209 484 D C 0.678 176.768 176.300 -0.349 0.000 0.603 484 D CA 2.672 56.504 54.000 -0.280 0.000 1.127 484 D CB -1.144 39.553 40.800 -0.172 0.000 0.621 484 D HN 0.763 nan 8.370 nan 0.000 0.431 485 G N 0.530 109.171 108.800 -0.266 0.000 4.552 485 G HA2 0.512 4.472 3.960 -0.000 0.000 0.281 485 G HA3 0.512 4.472 3.960 -0.000 0.000 0.281 485 G C 0.122 174.977 174.900 -0.076 0.000 1.037 485 G CA -0.039 44.964 45.100 -0.163 0.000 0.806 485 G HN 0.385 nan 8.290 nan 0.000 0.495 486 I N 0.897 121.374 120.570 -0.154 0.000 2.533 486 I HA 0.411 4.581 4.170 -0.000 0.000 0.290 486 I C -1.274 174.921 176.117 0.130 0.000 1.056 486 I CA -1.006 60.295 61.300 0.003 0.000 1.057 486 I CB 2.771 40.753 38.000 -0.031 0.000 1.240 486 I HN -0.032 nan 8.210 nan 0.000 0.423 487 L N 6.269 127.651 121.223 0.264 0.000 2.296 487 L HA 0.779 5.119 4.340 -0.000 0.000 0.286 487 L C 0.105 177.037 176.870 0.104 0.000 1.023 487 L CA 0.281 55.293 54.840 0.286 0.000 0.812 487 L CB 1.526 43.708 42.059 0.205 0.000 1.223 487 L HN 0.799 nan 8.230 nan 0.000 0.421 488 T N 1.726 116.319 114.554 0.065 0.000 2.792 488 T HA 0.683 5.033 4.350 -0.000 0.000 0.280 488 T C -0.329 174.352 174.700 -0.032 0.000 0.990 488 T CA -0.551 61.556 62.100 0.010 0.000 0.960 488 T CB 0.645 nan 68.868 nan 0.000 0.939 488 T HN 0.510 nan 8.240 nan 0.000 0.439 489 S N 2.429 118.099 115.700 -0.050 0.000 2.746 489 S HA 0.587 5.057 4.470 -0.000 0.000 0.273 489 S C 0.646 175.204 174.600 -0.069 0.000 1.172 489 S CA -0.103 58.029 58.200 -0.112 0.000 1.116 489 S CB 0.464 63.599 63.200 -0.109 0.000 1.057 489 S HN 1.740 nan 8.310 nan 0.000 0.483 490 M N 3.650 123.208 119.600 -0.069 0.000 2.875 490 M HA -0.073 4.407 4.480 -0.000 0.000 0.466 490 M C -0.803 175.469 176.300 -0.046 0.000 1.369 490 M CA 1.334 56.593 55.300 -0.068 0.000 0.750 490 M CB -1.632 30.901 32.600 -0.111 0.000 1.731 490 M HN 0.706 nan 8.290 nan 0.000 0.502 491 L N 3.258 124.483 121.223 0.004 0.000 2.565 491 L HA 0.657 4.997 4.340 -0.000 0.000 0.261 491 L C 0.035 176.939 176.870 0.056 0.000 0.932 491 L CA -1.019 53.849 54.840 0.046 0.000 0.878 491 L CB 1.784 43.873 42.059 0.050 0.000 1.333 491 L HN 0.968 nan 8.230 nan 0.000 0.409 492 R N 2.396 122.943 120.500 0.078 0.000 2.486 492 R HA 0.451 4.791 4.340 -0.000 0.000 0.286 492 R C -0.383 175.973 176.300 0.094 0.000 0.999 492 R CA -0.820 55.324 56.100 0.074 0.000 0.993 492 R CB 1.353 31.698 30.300 0.075 0.000 1.084 492 R HN 0.747 nan 8.270 nan 0.000 0.487 493 R N 2.502 123.053 120.500 0.085 0.000 2.474 493 R HA 0.249 4.589 4.340 -0.000 0.000 0.339 493 R C -0.109 176.268 176.300 0.128 0.000 1.033 493 R CA 0.526 56.681 56.100 0.092 0.000 0.997 493 R CB -0.180 30.175 30.300 0.091 0.000 0.963 493 R HN 0.698 nan 8.270 nan 0.000 0.438 494 A N 2.111 125.006 122.820 0.125 0.000 1.554 494 A HA -0.053 4.267 4.320 -0.000 0.000 0.210 494 A C 0.183 177.940 177.584 0.288 0.000 1.250 494 A CA 0.610 52.753 52.037 0.177 0.000 0.617 494 A CB -1.652 17.462 19.000 0.191 0.000 1.224 494 A HN 1.428 nan 8.150 nan 0.000 0.190 495 S N 2.774 118.622 115.700 0.248 0.000 2.588 495 S HA 0.743 5.213 4.470 -0.000 0.000 0.269 495 S C -0.607 174.163 174.600 0.283 0.000 1.157 495 S CA -0.104 58.299 58.200 0.339 0.000 0.824 495 S CB 1.312 64.676 63.200 0.273 0.000 1.126 495 S HN 2.073 nan 8.310 nan 0.000 0.464 496 W N 2.707 124.083 121.300 0.127 0.000 2.335 496 W HA 0.575 5.235 4.660 -0.000 0.000 0.307 496 W C -1.846 174.670 176.519 -0.005 0.000 1.117 496 W CA -0.380 56.998 57.345 0.054 0.000 1.228 496 W CB 0.899 30.405 29.460 0.077 0.000 1.240 496 W HN 0.775 nan 8.180 nan 0.000 0.468 497 N N 4.116 122.415 118.700 -0.668 0.000 2.314 497 N HA 0.407 5.146 4.740 -0.000 0.000 0.294 497 N C -1.327 173.641 175.510 -0.903 0.000 1.029 497 N CA -0.576 52.080 53.050 -0.656 0.000 0.845 497 N CB 2.374 40.699 38.487 -0.269 0.000 1.321 497 N HN 0.124 nan 8.380 nan 0.000 0.481 498 V N 3.238 122.653 119.914 -0.831 0.000 2.325 498 V HA 0.451 4.571 4.120 -0.000 0.000 0.280 498 V C -0.345 175.475 176.094 -0.457 0.000 1.016 498 V CA -0.600 61.326 62.300 -0.624 0.000 0.818 498 V CB 0.310 31.719 31.823 -0.690 0.000 1.019 498 V HN 0.552 nan 8.190 nan 0.000 0.434 499 I N 5.113 125.548 120.570 -0.225 0.000 2.339 499 I HA 0.580 4.750 4.170 -0.000 0.000 0.290 499 I C 0.166 176.204 176.117 -0.131 0.000 0.994 499 I CA -0.513 60.730 61.300 -0.095 0.000 1.191 499 I CB 1.263 39.292 38.000 0.048 0.000 1.343 499 I HN 0.416 nan 8.210 nan 0.000 0.458 500 R N 6.867 127.268 120.500 -0.164 0.000 2.480 500 R HA 0.742 5.081 4.340 -0.000 0.000 0.306 500 R C -1.081 175.109 176.300 -0.185 0.000 0.958 500 R CA -0.691 55.300 56.100 -0.182 0.000 0.861 500 R CB 2.320 32.472 30.300 -0.246 0.000 1.171 500 R HN 0.559 nan 8.270 nan 0.000 0.445 501 I N 0.887 121.342 120.570 -0.192 0.000 2.646 501 I HA 0.651 4.821 4.170 -0.000 0.000 0.299 501 I C 0.482 176.524 176.117 -0.126 0.000 1.036 501 I CA -0.811 60.338 61.300 -0.251 0.000 1.074 501 I CB 2.375 40.120 38.000 -0.425 0.000 1.258 501 I HN 0.674 nan 8.210 nan 0.000 0.430 502 G N 0.000 108.746 108.800 -0.090 0.000 5.446 502 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 502 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 502 G CA 0.000 45.092 45.100 -0.013 0.000 0.502 502 G HN 0.000 nan 8.290 nan 0.000 0.925