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 1fie_1_B DATA FIRST_RESID 10 DATA SEQUENCE GRRAVPPNNS NAAEDDLPTV ELQGVVPXXX NLQEFLNVTS VHLFKERWDT DATA SEQUENCE NKVDHHTDKY ENNKLIVRRG QSFYVQIDFS RPYDPRRDLF RVEYVIGRYP DATA SEQUENCE QENKGTYIPV PIVSELQSGK WGAKIVMRED RSVRLSIQSS PKCIVGKFRM DATA SEQUENCE YVAVWTPYGV LRTSRNPETD TYILFNPWCE DDAVYLDNEK EREEYVLNDI DATA SEQUENCE GVIFYGEVND IKTRSWSYGQ FEDGILDTCL YVMDRAQMDL SGRGNPIKVS DATA SEQUENCE RVGSAMVNAK DDEGVLVGSW DNIYAYGVPP SAWTGSVDIL LEYRSSENPV DATA SEQUENCE RYGQCWVFAG VFNTFLRCLG IPARIVTNYF SAHDNDANLQ MDIFLEEDGN DATA SEQUENCE VNSKLTKDSV WNYHCWNEAW MTRPDLPVGF GGWQAVDSTP QENSDGMYRC DATA SEQUENCE GPASVQAIKH GHVCFQFDAP FVFAEVNSDL IYITAKKDGT HVVENVDATH DATA SEQUENCE IGKLIVTKQI GGDGMMDITD TYKFQEGQEE ERLALETALM YGAKKPLNTE DATA SEQUENCE GVMKSRSNVD MDFEVENAVL GKDFKLSITF RNNSHNRYTI TAYLSANITF DATA SEQUENCE YTGVPKAEFK KETFDVTLEP LSFKKEAVLI QAGEYMGQLL EQASLHFFVT DATA SEQUENCE ARINETRDVL AKQKSTVLTI PEIIIKVRGT QVVGSDMTVT IQFTNPLKET DATA SEQUENCE LRNVWVHLDG PGVTRPMKKM FREIRPNSTV QWEEVCRPWV SGHRKLIASM DATA SEQUENCE SSDSLRHVYG ELDVQIQR 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 10 G HA2 0.000 nan 3.960 nan 0.000 0.244 10 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 10 G C 0.000 174.886 174.900 -0.023 0.000 0.946 10 G CA 0.000 45.087 45.100 -0.022 0.000 0.502 11 R N 1.404 121.887 120.500 -0.027 0.000 2.062 11 R HA 0.211 4.551 4.340 0.001 0.000 0.229 11 R C 1.042 177.323 176.300 -0.031 0.000 1.128 11 R CA 1.390 57.474 56.100 -0.027 0.000 0.960 11 R CB -0.129 30.155 30.300 -0.028 0.000 0.855 11 R HN 0.482 nan 8.270 nan 0.000 0.432 12 R N -2.408 118.067 120.500 -0.043 0.000 2.668 12 R HA 0.617 4.958 4.340 0.001 0.000 0.272 12 R C 0.119 176.383 176.300 -0.061 0.000 1.019 12 R CA -0.122 55.948 56.100 -0.049 0.000 0.894 12 R CB 1.320 31.584 30.300 -0.059 0.000 1.228 12 R HN -0.036 nan 8.270 nan 0.000 0.460 13 A N 1.845 124.633 122.820 -0.054 0.000 1.972 13 A HA 0.071 4.391 4.320 0.001 0.000 0.219 13 A C 0.602 178.133 177.584 -0.087 0.000 1.169 13 A CA 1.131 53.134 52.037 -0.056 0.000 0.635 13 A CB 0.111 19.089 19.000 -0.038 0.000 0.810 13 A HN 0.315 nan 8.150 nan 0.000 0.446 14 V N 1.518 121.361 119.914 -0.118 0.000 2.588 14 V HA 0.350 4.471 4.120 0.001 0.000 0.304 14 V C -2.429 173.483 176.094 -0.302 0.000 1.042 14 V CA -1.913 60.259 62.300 -0.213 0.000 0.877 14 V CB 1.853 33.582 31.823 -0.156 0.000 0.996 14 V HN 0.252 nan 8.190 nan 0.000 0.425 15 P HA 0.201 nan 4.420 nan 0.000 0.271 15 P C -2.668 174.409 177.300 -0.372 0.000 1.233 15 P CA -1.329 61.511 63.100 -0.433 0.000 0.789 15 P CB -0.198 31.198 31.700 -0.507 0.000 0.951 16 P HA 0.008 nan 4.420 nan 0.000 0.267 16 P C -0.207 177.136 177.300 0.072 0.000 1.209 16 P CA 0.059 63.136 63.100 -0.039 0.000 0.763 16 P CB 0.055 31.746 31.700 -0.015 0.000 0.816 17 N N 3.525 122.297 118.700 0.121 0.000 2.605 17 N HA 0.055 4.796 4.740 0.001 0.000 0.258 17 N C 0.597 176.162 175.510 0.091 0.000 1.156 17 N CA 0.124 53.291 53.050 0.194 0.000 1.008 17 N CB -0.862 37.724 38.487 0.165 0.000 1.354 17 N HN 0.343 nan 8.380 nan 0.000 0.509 18 N N -0.252 118.497 118.700 0.082 0.000 2.439 18 N HA -0.006 4.735 4.740 0.001 0.000 0.176 18 N C 0.139 175.663 175.510 0.024 0.000 1.029 18 N CA -0.040 53.036 53.050 0.043 0.000 0.886 18 N CB 0.257 38.766 38.487 0.036 0.000 1.057 18 N HN 0.248 nan 8.380 nan 0.000 0.437 19 S N -0.337 115.376 115.700 0.021 0.000 2.652 19 S HA 0.209 4.680 4.470 0.001 0.000 0.270 19 S C 0.476 175.061 174.600 -0.026 0.000 1.243 19 S CA -0.485 57.715 58.200 0.001 0.000 0.999 19 S CB 1.291 64.493 63.200 0.003 0.000 0.973 19 S HN 0.248 nan 8.310 nan 0.000 0.544 20 N N 0.563 119.246 118.700 -0.029 0.000 2.317 20 N HA 0.214 4.955 4.740 0.001 0.000 0.199 20 N C 1.425 176.900 175.510 -0.059 0.000 1.145 20 N CA 0.475 53.484 53.050 -0.068 0.000 0.882 20 N CB -0.144 38.309 38.487 -0.057 0.000 1.113 20 N HN 0.592 nan 8.380 nan 0.000 0.486 21 A N 0.885 123.694 122.820 -0.020 0.000 1.970 21 A HA 0.392 4.712 4.320 0.001 0.000 0.216 21 A C 1.109 178.674 177.584 -0.032 0.000 1.170 21 A CA 0.523 52.553 52.037 -0.012 0.000 0.645 21 A CB -0.372 18.645 19.000 0.030 0.000 0.816 21 A HN 0.358 nan 8.150 nan 0.000 0.447 22 A N 0.403 123.199 122.820 -0.040 0.000 2.366 22 A HA 0.517 4.838 4.320 0.001 0.000 0.249 22 A C 0.027 177.558 177.584 -0.089 0.000 1.084 22 A CA 0.259 52.258 52.037 -0.064 0.000 0.794 22 A CB 0.018 18.974 19.000 -0.072 0.000 1.034 22 A HN 0.655 nan 8.150 nan 0.000 0.491 23 E N 0.683 120.819 120.200 -0.106 0.000 2.381 23 E HA 0.392 4.743 4.350 0.001 0.000 0.286 23 E C -1.861 174.669 176.600 -0.118 0.000 0.960 23 E CA -0.913 55.428 56.400 -0.099 0.000 0.793 23 E CB 1.133 30.803 29.700 -0.051 0.000 1.225 23 E HN 0.639 nan 8.360 nan 0.000 0.420 24 D N 1.552 121.875 120.400 -0.129 0.000 2.387 24 D HA 0.305 4.946 4.640 0.001 0.000 0.251 24 D C -0.816 175.436 176.300 -0.079 0.000 1.141 24 D CA -0.410 53.509 54.000 -0.135 0.000 0.987 24 D CB 1.349 42.046 40.800 -0.173 0.000 1.116 24 D HN 0.366 nan 8.370 nan 0.000 0.491 25 D N -0.053 120.296 120.400 -0.086 0.000 2.349 25 D HA 0.312 4.952 4.640 0.001 0.000 0.232 25 D C -0.516 175.706 176.300 -0.131 0.000 1.071 25 D CA -0.476 53.481 54.000 -0.072 0.000 0.832 25 D CB 0.740 41.508 40.800 -0.053 0.000 1.086 25 D HN 0.249 nan 8.370 nan 0.000 0.504 26 L N 5.010 126.105 121.223 -0.213 0.000 2.350 26 L HA 0.436 4.776 4.340 0.001 0.000 0.275 26 L C -1.666 175.061 176.870 -0.238 0.000 1.099 26 L CA -1.683 52.973 54.840 -0.307 0.000 0.808 26 L CB 1.017 42.733 42.059 -0.573 0.000 1.149 26 L HN 0.306 nan 8.230 nan 0.000 0.442 27 P HA 0.078 nan 4.420 nan 0.000 0.276 27 P C 0.465 177.675 177.300 -0.151 0.000 1.230 27 P CA -0.359 62.651 63.100 -0.149 0.000 0.776 27 P CB 1.031 32.648 31.700 -0.138 0.000 0.888 28 T N -0.246 114.246 114.554 -0.103 0.000 2.995 28 T HA 0.028 4.379 4.350 0.001 0.000 0.269 28 T C 0.799 175.446 174.700 -0.088 0.000 1.091 28 T CA 0.350 62.402 62.100 -0.080 0.000 1.128 28 T CB -0.199 68.643 68.868 -0.043 0.000 0.891 28 T HN 0.365 nan 8.240 nan 0.000 0.492 29 V N 0.982 120.838 119.914 -0.097 0.000 2.653 29 V HA 0.573 4.694 4.120 0.001 0.000 0.298 29 V C -2.099 173.930 176.094 -0.108 0.000 1.097 29 V CA -0.828 61.413 62.300 -0.100 0.000 0.908 29 V CB 2.012 33.799 31.823 -0.061 0.000 1.024 29 V HN 0.427 nan 8.190 nan 0.000 0.435 30 E N 7.005 127.120 120.200 -0.142 0.000 2.346 30 E HA 0.631 4.982 4.350 0.001 0.000 0.239 30 E C -1.660 174.866 176.600 -0.125 0.000 0.943 30 E CA -0.383 55.935 56.400 -0.138 0.000 0.751 30 E CB 1.142 30.734 29.700 -0.180 0.000 1.241 30 E HN 0.775 nan 8.360 nan 0.000 0.423 31 L N 2.927 124.107 121.223 -0.072 0.000 2.330 31 L HA 0.628 4.968 4.340 0.001 0.000 0.271 31 L C -0.357 176.505 176.870 -0.012 0.000 1.013 31 L CA -0.954 53.870 54.840 -0.027 0.000 0.816 31 L CB 2.016 44.079 42.059 0.006 0.000 1.287 31 L HN 0.562 nan 8.230 nan 0.000 0.435 32 Q N 1.206 121.020 119.800 0.024 0.000 2.378 32 Q HA 0.578 4.919 4.340 0.001 0.000 0.262 32 Q C -1.368 174.668 176.000 0.060 0.000 0.978 32 Q CA -0.490 55.327 55.803 0.023 0.000 0.918 32 Q CB 2.599 31.341 28.738 0.006 0.000 1.415 32 Q HN 0.855 nan 8.270 nan 0.000 0.409 33 G N 0.762 109.591 108.800 0.048 0.000 2.158 33 G HA2 0.396 4.356 3.960 0.001 0.000 0.238 33 G HA3 0.396 4.356 3.960 0.001 0.000 0.238 33 G C -0.666 174.258 174.900 0.040 0.000 1.723 33 G CA -0.338 44.803 45.100 0.067 0.000 0.911 33 G HN 0.834 nan 8.290 nan 0.000 0.741 34 V N 2.463 122.396 119.914 0.032 0.000 3.209 34 V HA 0.595 4.716 4.120 0.001 0.000 0.305 34 V C 2.583 178.684 176.094 0.010 0.000 1.127 34 V CA 1.349 63.657 62.300 0.015 0.000 1.235 34 V CB -0.077 31.756 31.823 0.016 0.000 0.987 34 V HN 2.491 nan 8.190 nan 0.000 0.499 35 V N 3.447 123.357 119.914 -0.007 0.000 2.255 35 V HA -0.235 3.886 4.120 0.001 0.000 0.258 35 V C 0.701 176.792 176.094 -0.005 0.000 1.069 35 V CA 3.153 65.441 62.300 -0.019 0.000 1.082 35 V CB -2.575 29.238 31.823 -0.016 0.000 0.707 35 V HN 1.131 nan 8.190 nan 0.000 0.466 41 L N -3.168 118.056 121.223 0.001 0.000 0.000 41 L HA 0.976 5.317 4.340 0.001 0.000 0.000 41 L C 0.779 177.606 176.870 -0.071 0.000 0.000 41 L CA 0.833 55.633 54.840 -0.067 0.000 0.000 41 L CB 0.151 42.190 42.059 -0.033 0.000 0.000 41 L HN 2.233 nan 8.230 nan 0.000 0.000 42 Q N 0.057 119.868 119.800 0.018 0.000 2.225 42 Q HA 0.416 4.757 4.340 0.001 0.000 0.222 42 Q C 0.420 176.508 176.000 0.146 0.000 0.887 42 Q CA 0.550 56.465 55.803 0.187 0.000 0.958 42 Q CB 0.039 28.899 28.738 0.204 0.000 1.058 42 Q HN 0.866 nan 8.270 nan 0.000 0.459 43 E N 0.316 120.465 120.200 -0.084 0.000 1.996 43 E HA 0.429 4.780 4.350 0.001 0.000 0.280 43 E C -1.350 175.104 176.600 -0.243 0.000 1.092 43 E CA -0.146 56.208 56.400 -0.076 0.000 0.862 43 E CB -0.358 29.290 29.700 -0.088 0.000 1.066 43 E HN 0.471 nan 8.360 nan 0.000 0.396 44 F N 1.854 121.805 119.950 0.001 0.000 2.782 44 F HA 0.310 4.837 4.527 0.001 0.000 0.366 44 F C 0.326 176.096 175.800 -0.051 0.000 1.171 44 F CA -1.047 56.941 58.000 -0.019 0.000 1.064 44 F CB 0.353 39.350 39.000 -0.005 0.000 1.449 44 F HN 0.206 nan 8.300 nan 0.000 0.520 45 L N 1.480 122.788 121.223 0.142 0.000 2.483 45 L HA 0.144 4.485 4.340 0.001 0.000 0.277 45 L C -0.586 176.286 176.870 0.004 0.000 1.248 45 L CA 0.408 55.203 54.840 -0.076 0.000 0.825 45 L CB -0.172 41.676 42.059 -0.351 0.000 1.096 45 L HN 0.684 nan 8.230 nan 0.000 0.512 46 N N 0.570 119.290 118.700 0.033 0.000 2.452 46 N HA 0.420 5.160 4.740 0.001 0.000 0.277 46 N C -1.559 174.098 175.510 0.245 0.000 1.078 46 N CA -0.553 52.567 53.050 0.118 0.000 0.947 46 N CB 1.550 40.094 38.487 0.096 0.000 1.655 46 N HN 0.494 nan 8.380 nan 0.000 0.490 47 V N 2.043 122.093 119.914 0.227 0.000 2.432 47 V HA 0.440 4.561 4.120 0.001 0.000 0.271 47 V C 0.535 176.660 176.094 0.053 0.000 1.046 47 V CA 0.347 62.754 62.300 0.179 0.000 0.945 47 V CB 0.919 32.789 31.823 0.078 0.000 0.992 47 V HN 0.810 nan 8.190 nan 0.000 0.471 48 T N 3.975 118.539 114.554 0.017 0.000 2.939 48 T HA 0.159 4.510 4.350 0.001 0.000 0.254 48 T C 0.742 175.406 174.700 -0.060 0.000 1.041 48 T CA 1.341 63.438 62.100 -0.005 0.000 1.142 48 T CB 0.042 68.920 68.868 0.017 0.000 0.874 48 T HN 0.862 nan 8.240 nan 0.000 0.452 49 S N -0.700 114.918 115.700 -0.136 0.000 2.587 49 S HA 0.605 5.076 4.470 0.001 0.000 0.269 49 S C -1.969 172.392 174.600 -0.398 0.000 1.154 49 S CA -0.710 57.350 58.200 -0.234 0.000 0.824 49 S CB 1.643 64.728 63.200 -0.192 0.000 1.118 49 S HN -0.040 nan 8.310 nan 0.000 0.462 50 V N 3.739 123.326 119.914 -0.545 0.000 2.735 50 V HA 0.614 4.735 4.120 0.001 0.000 0.310 50 V C -1.376 174.216 176.094 -0.837 0.000 1.061 50 V CA -0.635 61.339 62.300 -0.543 0.000 0.913 50 V CB 2.008 33.652 31.823 -0.298 0.000 1.005 50 V HN 0.910 nan 8.190 nan 0.000 0.428 51 H N 5.164 124.094 119.070 -0.234 0.000 2.823 51 H HA 0.518 5.075 4.556 0.001 0.000 0.332 51 H C -1.079 173.932 175.328 -0.529 0.000 0.980 51 H CA -0.431 55.389 56.048 -0.379 0.000 1.286 51 H CB 1.852 31.347 29.762 -0.446 0.000 1.541 51 H HN 0.394 nan 8.280 nan 0.000 0.521 52 L N 3.727 124.755 121.223 -0.326 0.000 2.287 52 L HA 0.312 4.652 4.340 0.001 0.000 0.287 52 L C -0.180 176.499 176.870 -0.318 0.000 1.022 52 L CA -0.815 53.887 54.840 -0.231 0.000 0.814 52 L CB 0.938 42.949 42.059 -0.079 0.000 1.217 52 L HN 0.427 nan 8.230 nan 0.000 0.420 53 F N 2.708 122.713 119.950 0.092 0.000 2.659 53 F HA 0.094 4.622 4.527 0.001 0.000 0.360 53 F C 1.592 177.359 175.800 -0.055 0.000 1.218 53 F CA -0.470 57.544 58.000 0.025 0.000 1.317 53 F CB -0.215 38.824 39.000 0.064 0.000 1.697 53 F HN 0.492 nan 8.300 nan 0.000 0.637 54 K N -0.698 119.684 120.400 -0.029 0.000 2.487 54 K HA 0.063 4.384 4.320 0.001 0.000 0.192 54 K C 0.050 176.532 176.600 -0.195 0.000 1.027 54 K CA 0.122 56.352 56.287 -0.095 0.000 1.054 54 K CB 0.195 32.639 32.500 -0.094 0.000 0.824 54 K HN 0.218 nan 8.250 nan 0.000 0.510 55 E N 1.862 121.861 120.200 -0.336 0.000 2.398 55 E HA 0.018 4.369 4.350 0.001 0.000 0.263 55 E C 0.501 176.761 176.600 -0.567 0.000 1.046 55 E CA 0.020 56.021 56.400 -0.665 0.000 0.908 55 E CB 0.773 29.609 29.700 -1.440 0.000 0.963 55 E HN 0.241 nan 8.360 nan 0.000 0.431 56 R N 1.132 121.363 120.500 -0.448 0.000 2.152 56 R HA -0.157 4.184 4.340 0.001 0.000 0.232 56 R C 2.105 178.347 176.300 -0.097 0.000 1.117 56 R CA 1.857 57.842 56.100 -0.192 0.000 0.981 56 R CB -0.228 30.035 30.300 -0.062 0.000 0.870 56 R HN 0.645 nan 8.270 nan 0.000 0.451 57 W N 0.907 122.221 121.300 0.023 0.000 2.518 57 W HA 0.175 4.836 4.660 0.001 0.000 0.273 57 W C 0.164 176.695 176.519 0.019 0.000 1.247 57 W CA -0.486 56.868 57.345 0.015 0.000 1.288 57 W CB -0.380 29.088 29.460 0.015 0.000 1.107 57 W HN -0.263 nan 8.180 nan 0.000 0.586 58 D N 1.262 121.508 120.400 -0.256 0.000 2.346 58 D HA -0.061 4.580 4.640 0.001 0.000 0.236 58 D C 1.430 177.743 176.300 0.022 0.000 1.259 58 D CA 1.171 55.135 54.000 -0.059 0.000 0.898 58 D CB 1.371 42.087 40.800 -0.141 0.000 1.178 58 D HN -0.104 nan 8.370 nan 0.000 0.457 59 T N 1.379 115.969 114.554 0.060 0.000 2.622 59 T HA -0.173 4.178 4.350 0.001 0.000 0.266 59 T C 1.545 176.294 174.700 0.081 0.000 1.047 59 T CA 1.049 63.193 62.100 0.074 0.000 1.159 59 T CB -0.205 68.736 68.868 0.122 0.000 0.863 59 T HN 0.347 nan 8.240 nan 0.000 0.422 60 N N 1.254 120.033 118.700 0.133 0.000 2.023 60 N HA -0.132 4.609 4.740 0.001 0.000 0.200 60 N C 1.851 177.381 175.510 0.034 0.000 1.048 60 N CA 1.410 54.530 53.050 0.117 0.000 0.872 60 N CB -0.339 38.215 38.487 0.112 0.000 1.070 60 N HN 0.438 nan 8.380 nan 0.000 0.441 61 K N 0.409 120.789 120.400 -0.033 0.000 2.103 61 K HA -0.059 4.262 4.320 0.001 0.000 0.207 61 K C 2.092 178.645 176.600 -0.077 0.000 1.048 61 K CA 0.767 57.019 56.287 -0.058 0.000 0.930 61 K CB -0.248 32.209 32.500 -0.072 0.000 0.716 61 K HN 0.028 nan 8.250 nan 0.000 0.444 62 V N 1.886 121.752 119.914 -0.080 0.000 2.255 62 V HA -0.210 3.911 4.120 0.001 0.000 0.243 62 V C 1.536 177.459 176.094 -0.285 0.000 1.038 62 V CA 1.903 64.124 62.300 -0.132 0.000 1.008 62 V CB -0.376 31.410 31.823 -0.062 0.000 0.645 62 V HN 0.222 nan 8.190 nan 0.000 0.449 63 D N -1.196 119.069 120.400 -0.226 0.000 2.263 63 D HA -0.137 4.504 4.640 0.001 0.000 0.208 63 D C 1.959 177.871 176.300 -0.647 0.000 0.971 63 D CA 1.056 54.835 54.000 -0.368 0.000 0.867 63 D CB -0.207 40.484 40.800 -0.182 0.000 0.929 63 D HN 0.532 nan 8.370 nan 0.000 0.492 64 H N -1.245 117.531 119.070 -0.490 0.000 2.553 64 H HA 0.065 4.622 4.556 0.001 0.000 0.265 64 H C 0.067 175.078 175.328 -0.527 0.000 0.964 64 H CA 0.484 56.270 56.048 -0.436 0.000 1.156 64 H CB 0.363 29.991 29.762 -0.224 0.000 1.411 64 H HN 0.323 nan 8.280 nan 0.000 0.558 65 H N -0.713 118.187 119.070 -0.283 0.000 2.969 65 H HA -0.130 4.427 4.556 0.001 0.000 0.269 65 H C 0.609 175.889 175.328 -0.081 0.000 1.230 65 H CA 0.932 56.768 56.048 -0.354 0.000 1.123 65 H CB -1.897 27.308 29.762 -0.929 0.000 1.289 65 H HN 0.359 nan 8.280 nan 0.000 0.364 66 T N -2.919 111.662 114.554 0.046 0.000 3.228 66 T HA 0.041 4.392 4.350 0.001 0.000 0.278 66 T C 1.133 175.927 174.700 0.157 0.000 1.014 66 T CA 0.142 62.378 62.100 0.226 0.000 0.904 66 T CB 0.260 69.193 68.868 0.107 0.000 1.110 66 T HN 0.545 nan 8.240 nan 0.000 0.541 67 D N 1.195 121.597 120.400 0.003 0.000 2.349 67 D HA -0.010 4.631 4.640 0.001 0.000 0.224 67 D C 1.359 177.606 176.300 -0.088 0.000 1.029 67 D CA 0.042 54.021 54.000 -0.036 0.000 0.879 67 D CB 0.143 40.909 40.800 -0.058 0.000 0.906 67 D HN 0.347 nan 8.370 nan 0.000 0.528 68 K N -0.271 119.977 120.400 -0.253 0.000 2.356 68 K HA 0.026 4.346 4.320 0.001 0.000 0.195 68 K C -0.068 176.355 176.600 -0.294 0.000 1.037 68 K CA -0.094 55.885 56.287 -0.513 0.000 1.014 68 K CB 0.190 31.882 32.500 -1.348 0.000 0.815 68 K HN 0.146 nan 8.250 nan 0.000 0.507 69 Y N 2.419 122.705 120.300 -0.022 0.000 2.465 69 Y HA -0.025 4.526 4.550 0.001 0.000 0.331 69 Y C 0.736 176.673 175.900 0.062 0.000 1.102 69 Y CA -0.197 57.992 58.100 0.148 0.000 1.358 69 Y CB 0.377 38.894 38.460 0.094 0.000 1.213 69 Y HN -0.124 nan 8.280 nan 0.000 0.525 70 E N 3.958 124.299 120.200 0.235 0.000 2.323 70 E HA -0.063 4.288 4.350 0.001 0.000 0.313 70 E C -0.529 176.123 176.600 0.087 0.000 1.236 70 E CA 0.164 56.641 56.400 0.129 0.000 1.333 70 E CB -0.610 29.155 29.700 0.109 0.000 1.138 70 E HN 0.554 nan 8.360 nan 0.000 0.492 71 N N 2.049 120.790 118.700 0.068 0.000 2.454 71 N HA 0.037 4.777 4.740 0.001 0.000 0.291 71 N C 0.583 176.086 175.510 -0.011 0.000 1.079 71 N CA -0.261 52.794 53.050 0.008 0.000 0.893 71 N CB 0.870 39.312 38.487 -0.075 0.000 1.512 71 N HN 0.084 nan 8.380 nan 0.000 0.497 72 N N 2.097 120.794 118.700 -0.006 0.000 2.459 72 N HA -0.084 4.657 4.740 0.001 0.000 0.181 72 N C -0.115 175.384 175.510 -0.018 0.000 1.046 72 N CA 0.671 53.710 53.050 -0.018 0.000 0.904 72 N CB 0.259 38.739 38.487 -0.011 0.000 0.964 72 N HN 0.386 nan 8.380 nan 0.000 0.444 73 K N 0.989 121.401 120.400 0.021 0.000 2.098 73 K HA 0.225 4.546 4.320 0.001 0.000 0.244 73 K C -0.104 176.502 176.600 0.011 0.000 1.014 73 K CA -1.041 55.273 56.287 0.045 0.000 0.917 73 K CB 0.873 33.471 32.500 0.163 0.000 1.072 73 K HN 0.056 nan 8.250 nan 0.000 0.477 74 L N 1.950 123.169 121.223 -0.006 0.000 2.361 74 L HA 0.251 4.592 4.340 0.001 0.000 0.278 74 L C -0.575 176.249 176.870 -0.077 0.000 1.113 74 L CA 0.455 55.249 54.840 -0.077 0.000 0.849 74 L CB -0.128 41.862 42.059 -0.115 0.000 1.155 74 L HN 0.393 nan 8.230 nan 0.000 0.452 75 I N 5.434 125.908 120.570 -0.161 0.000 2.441 75 I HA 0.585 4.756 4.170 0.001 0.000 0.295 75 I C -0.428 175.507 176.117 -0.303 0.000 0.994 75 I CA -0.603 60.571 61.300 -0.210 0.000 1.144 75 I CB 1.900 39.682 38.000 -0.364 0.000 1.314 75 I HN 0.366 nan 8.210 nan 0.000 0.445 76 V N 5.611 125.316 119.914 -0.348 0.000 3.181 76 V HA 0.553 4.674 4.120 0.001 0.000 0.308 76 V C -0.820 175.155 176.094 -0.199 0.000 1.214 76 V CA -0.788 61.200 62.300 -0.521 0.000 1.053 76 V CB 3.052 34.252 31.823 -1.039 0.000 1.069 76 V HN 0.638 nan 8.190 nan 0.000 0.441 77 R N 1.403 121.955 120.500 0.088 0.000 2.599 77 R HA 0.527 4.868 4.340 0.001 0.000 0.295 77 R C -0.445 175.914 176.300 0.099 0.000 0.963 77 R CA -0.874 55.320 56.100 0.156 0.000 0.883 77 R CB 2.081 32.543 30.300 0.270 0.000 1.171 77 R HN 0.811 nan 8.270 nan 0.000 0.450 78 R N 0.705 121.203 120.500 -0.004 0.000 2.756 78 R HA 0.127 4.468 4.340 0.001 0.000 0.264 78 R C 0.454 176.718 176.300 -0.060 0.000 1.026 78 R CA 0.873 56.919 56.100 -0.090 0.000 1.121 78 R CB 0.164 30.399 30.300 -0.108 0.000 0.999 78 R HN 0.806 nan 8.270 nan 0.000 0.449 79 G N 0.369 109.070 108.800 -0.166 0.000 2.162 79 G HA2 -0.350 3.611 3.960 0.001 0.000 0.260 79 G HA3 -0.350 3.611 3.960 0.001 0.000 0.260 79 G C -0.091 174.741 174.900 -0.114 0.000 0.976 79 G CA 0.713 45.724 45.100 -0.148 0.000 0.655 79 G HN 0.784 nan 8.290 nan 0.000 0.533 80 Q N 0.510 120.274 119.800 -0.060 0.000 2.347 80 Q HA 0.587 4.928 4.340 0.001 0.000 0.271 80 Q C 0.457 176.510 176.000 0.090 0.000 1.064 80 Q CA -0.072 55.706 55.803 -0.043 0.000 0.800 80 Q CB 1.588 30.229 28.738 -0.160 0.000 1.304 80 Q HN 0.691 nan 8.270 nan 0.000 0.438 81 S N 2.826 118.509 115.700 -0.028 0.000 2.562 81 S HA 0.470 4.941 4.470 0.001 0.000 0.281 81 S C -0.331 174.316 174.600 0.078 0.000 1.333 81 S CA -0.355 57.791 58.200 -0.090 0.000 1.052 81 S CB 0.064 63.128 63.200 -0.226 0.000 0.884 81 S HN 0.441 nan 8.310 nan 0.000 0.506 82 F N -0.802 119.055 119.950 -0.154 0.000 2.613 82 F HA 0.780 5.308 4.527 0.001 0.000 0.314 82 F C -1.555 174.155 175.800 -0.151 0.000 1.075 82 F CA -1.868 56.025 58.000 -0.179 0.000 0.945 82 F CB 0.609 39.482 39.000 -0.212 0.000 1.310 82 F HN 0.454 nan 8.300 nan 0.000 0.467 83 Y N 1.369 121.842 120.300 0.288 0.000 2.361 83 Y HA 0.695 5.246 4.550 0.001 0.000 0.332 83 Y C 0.106 176.273 175.900 0.444 0.000 1.101 83 Y CA -1.202 57.068 58.100 0.283 0.000 1.137 83 Y CB 1.890 40.511 38.460 0.269 0.000 1.207 83 Y HN 0.714 nan 8.280 nan 0.000 0.463 84 V N 0.198 120.400 119.914 0.481 0.000 3.147 84 V HA 0.654 4.775 4.120 0.001 0.000 0.306 84 V C -1.393 174.818 176.094 0.196 0.000 1.209 84 V CA -0.935 61.492 62.300 0.213 0.000 1.023 84 V CB 2.133 34.039 31.823 0.140 0.000 1.059 84 V HN 0.785 nan 8.190 nan 0.000 0.435 85 Q N 2.034 121.848 119.800 0.023 0.000 2.285 85 Q HA 0.674 5.015 4.340 0.001 0.000 0.269 85 Q C -1.692 174.265 176.000 -0.071 0.000 1.030 85 Q CA -0.695 55.143 55.803 0.059 0.000 0.788 85 Q CB 2.267 31.109 28.738 0.174 0.000 1.266 85 Q HN 0.891 nan 8.270 nan 0.000 0.438 86 I N 2.781 123.241 120.570 -0.182 0.000 2.359 86 I HA 0.298 4.469 4.170 0.001 0.000 0.294 86 I C -0.655 175.106 176.117 -0.593 0.000 0.987 86 I CA -0.748 60.290 61.300 -0.436 0.000 1.225 86 I CB 1.437 39.066 38.000 -0.617 0.000 1.366 86 I HN 0.434 nan 8.210 nan 0.000 0.466 87 D N 6.680 126.802 120.400 -0.464 0.000 2.373 87 D HA 0.384 5.025 4.640 0.001 0.000 0.227 87 D C -0.389 175.732 176.300 -0.299 0.000 1.091 87 D CA -0.030 53.794 54.000 -0.295 0.000 0.840 87 D CB 0.937 41.694 40.800 -0.072 0.000 1.060 87 D HN 0.065 nan 8.370 nan 0.000 0.502 88 F N 0.347 120.281 119.950 -0.027 0.000 2.380 88 F HA 0.145 4.673 4.527 0.001 0.000 0.319 88 F C 2.148 177.944 175.800 -0.007 0.000 1.113 88 F CA -0.953 57.025 58.000 -0.036 0.000 1.056 88 F CB 0.600 39.569 39.000 -0.051 0.000 1.289 88 F HN 0.189 nan 8.300 nan 0.000 0.515 89 S N -0.210 115.630 115.700 0.233 0.000 2.515 89 S HA 0.119 4.590 4.470 0.001 0.000 0.231 89 S C 0.107 174.767 174.600 0.100 0.000 0.987 89 S CA 0.226 58.500 58.200 0.122 0.000 0.936 89 S CB -0.555 62.698 63.200 0.089 0.000 0.766 89 S HN 0.729 nan 8.310 nan 0.000 0.528 90 R N -2.198 118.378 120.500 0.127 0.000 2.825 90 R HA 0.520 4.861 4.340 0.001 0.000 0.274 90 R C -3.769 172.594 176.300 0.105 0.000 1.026 90 R CA -1.623 54.529 56.100 0.086 0.000 0.867 90 R CB -0.914 29.406 30.300 0.033 0.000 1.268 90 R HN -0.167 nan 8.270 nan 0.000 0.491 91 P HA -0.176 nan 4.420 nan 0.000 0.267 91 P C -1.267 176.085 177.300 0.086 0.000 1.175 91 P CA 0.363 63.535 63.100 0.118 0.000 0.763 91 P CB 0.125 31.866 31.700 0.069 0.000 0.795 92 Y N 3.188 123.517 120.300 0.047 0.000 2.504 92 Y HA 0.164 4.715 4.550 0.001 0.000 0.351 92 Y C 0.085 176.000 175.900 0.026 0.000 0.988 92 Y CA -0.410 57.682 58.100 -0.013 0.000 1.239 92 Y CB -0.076 38.453 38.460 0.116 0.000 1.128 92 Y HN 0.231 nan 8.280 nan 0.000 0.525 93 D N 8.775 128.884 120.400 -0.486 0.000 2.380 93 D HA 0.196 4.837 4.640 0.001 0.000 0.230 93 D C -2.106 173.796 176.300 -0.665 0.000 1.154 93 D CA -2.106 51.650 54.000 -0.407 0.000 0.859 93 D CB 1.917 42.589 40.800 -0.214 0.000 1.045 93 D HN 0.401 nan 8.370 nan 0.000 0.495 94 P HA -0.075 nan 4.420 nan 0.000 0.234 94 P C 0.741 177.933 177.300 -0.180 0.000 1.162 94 P CA 0.702 63.564 63.100 -0.397 0.000 0.759 94 P CB 0.268 31.918 31.700 -0.083 0.000 0.813 95 R N -0.565 119.830 120.500 -0.174 0.000 1.966 95 R HA 0.126 4.467 4.340 0.001 0.000 0.191 95 R C 1.846 178.106 176.300 -0.068 0.000 1.542 95 R CA -0.062 55.987 56.100 -0.086 0.000 1.210 95 R CB -0.079 30.182 30.300 -0.064 0.000 1.039 95 R HN -0.213 nan 8.270 nan 0.000 0.476 96 R N 1.415 121.872 120.500 -0.071 0.000 2.159 96 R HA -0.005 4.336 4.340 0.001 0.000 0.237 96 R C -0.240 176.067 176.300 0.013 0.000 1.131 96 R CA 0.847 56.934 56.100 -0.021 0.000 0.982 96 R CB -0.776 29.507 30.300 -0.029 0.000 0.868 96 R HN 0.372 nan 8.270 nan 0.000 0.453 97 D N 0.428 120.790 120.400 -0.063 0.000 2.255 97 D HA 0.290 4.930 4.640 0.001 0.000 0.249 97 D C -0.286 176.111 176.300 0.162 0.000 1.078 97 D CA -0.132 53.874 54.000 0.011 0.000 0.896 97 D CB 1.321 42.049 40.800 -0.119 0.000 1.194 97 D HN -0.209 nan 8.370 nan 0.000 0.429 98 L N 3.513 124.903 121.223 0.277 0.000 2.562 98 L HA 0.477 4.817 4.340 0.001 0.000 0.266 98 L C -1.667 175.491 176.870 0.480 0.000 0.949 98 L CA -0.627 54.399 54.840 0.310 0.000 0.879 98 L CB 1.059 43.223 42.059 0.175 0.000 1.278 98 L HN 0.490 nan 8.230 nan 0.000 0.404 99 F N 3.505 123.576 119.950 0.201 0.000 2.817 99 F HA 0.863 5.391 4.527 0.001 0.000 0.317 99 F C -1.274 174.641 175.800 0.192 0.000 1.168 99 F CA -1.065 57.079 58.000 0.240 0.000 0.911 99 F CB 1.465 40.590 39.000 0.207 0.000 1.337 99 F HN 0.547 nan 8.300 nan 0.000 0.464 100 R N 0.855 121.432 120.500 0.129 0.000 2.687 100 R HA 0.726 5.067 4.340 0.001 0.000 0.265 100 R C -2.435 173.923 176.300 0.097 0.000 1.048 100 R CA -1.054 55.014 56.100 -0.054 0.000 0.884 100 R CB 1.509 31.796 30.300 -0.021 0.000 1.258 100 R HN 0.638 nan 8.270 nan 0.000 0.469 101 V N 1.266 121.181 119.914 0.001 0.000 2.904 101 V HA 0.365 4.485 4.120 0.001 0.000 0.305 101 V C 0.040 176.039 176.094 -0.159 0.000 1.067 101 V CA -0.297 61.976 62.300 -0.044 0.000 1.044 101 V CB 1.467 33.254 31.823 -0.060 0.000 1.050 101 V HN 0.757 nan 8.190 nan 0.000 0.475 102 E N 1.533 121.576 120.200 -0.262 0.000 2.314 102 E HA 0.537 4.888 4.350 0.001 0.000 0.272 102 E C -2.010 174.312 176.600 -0.464 0.000 0.884 102 E CA -0.609 55.624 56.400 -0.277 0.000 0.753 102 E CB 2.467 32.183 29.700 0.027 0.000 1.213 102 E HN 0.589 nan 8.360 nan 0.000 0.432 103 Y N 0.614 120.829 120.300 -0.141 0.000 2.376 103 Y HA 0.483 5.033 4.550 0.001 0.000 0.340 103 Y C -0.346 175.672 175.900 0.197 0.000 0.965 103 Y CA -0.927 57.200 58.100 0.045 0.000 1.078 103 Y CB 2.034 40.404 38.460 -0.151 0.000 1.193 103 Y HN 0.318 nan 8.280 nan 0.000 0.452 104 V N 2.547 122.716 119.914 0.426 0.000 2.888 104 V HA 0.876 4.997 4.120 0.001 0.000 0.309 104 V C -1.411 174.746 176.094 0.105 0.000 1.114 104 V CA -1.021 61.460 62.300 0.301 0.000 0.940 104 V CB 1.934 33.957 31.823 0.333 0.000 1.021 104 V HN 0.571 nan 8.190 nan 0.000 0.426 105 I N 3.076 123.610 120.570 -0.060 0.000 2.619 105 I HA 1.017 5.187 4.170 0.001 0.000 0.292 105 I C 0.514 176.556 176.117 -0.126 0.000 1.100 105 I CA 0.098 61.259 61.300 -0.231 0.000 1.043 105 I CB 1.513 39.162 38.000 -0.584 0.000 1.239 105 I HN 1.554 nan 8.210 nan 0.000 0.420 106 G N 3.417 112.145 108.800 -0.121 0.000 2.814 106 G HA2 -0.208 3.752 3.960 0.001 0.000 0.677 106 G HA3 -0.208 3.752 3.960 0.001 0.000 0.677 106 G C 0.273 175.082 174.900 -0.152 0.000 1.429 106 G CA 0.090 45.127 45.100 -0.104 0.000 0.868 106 G HN 0.964 nan 8.290 nan 0.000 0.553 107 R N -0.663 119.680 120.500 -0.262 0.000 2.152 107 R HA -0.017 4.324 4.340 0.001 0.000 0.232 107 R C 0.495 176.322 176.300 -0.788 0.000 1.117 107 R CA 1.726 57.479 56.100 -0.578 0.000 0.981 107 R CB -0.158 29.649 30.300 -0.822 0.000 0.870 107 R HN 0.572 nan 8.270 nan 0.000 0.451 108 Y N -0.206 120.083 120.300 -0.017 0.000 2.495 108 Y HA 0.389 4.940 4.550 0.001 0.000 0.362 108 Y C -2.310 173.588 175.900 -0.004 0.000 0.956 108 Y CA -3.233 54.858 58.100 -0.016 0.000 1.127 108 Y CB 0.544 38.996 38.460 -0.014 0.000 1.173 108 Y HN -0.016 nan 8.280 nan 0.000 0.639 109 P HA 0.084 nan 4.420 nan 0.000 0.266 109 P C -0.501 176.863 177.300 0.106 0.000 1.195 109 P CA 0.306 63.468 63.100 0.102 0.000 0.768 109 P CB 0.693 32.456 31.700 0.106 0.000 0.838 110 Q N 0.833 120.719 119.800 0.143 0.000 2.309 110 Q HA 0.127 4.467 4.340 0.001 0.000 0.273 110 Q C 0.396 176.507 176.000 0.185 0.000 1.040 110 Q CA -0.565 55.316 55.803 0.129 0.000 0.834 110 Q CB 2.132 30.924 28.738 0.091 0.000 1.345 110 Q HN 0.446 nan 8.270 nan 0.000 0.414 111 E N 1.629 121.965 120.200 0.227 0.000 2.153 111 E HA -0.224 4.127 4.350 0.001 0.000 0.194 111 E C 0.851 177.527 176.600 0.126 0.000 0.988 111 E CA 1.304 57.831 56.400 0.212 0.000 0.811 111 E CB 0.215 30.052 29.700 0.227 0.000 0.746 111 E HN 0.581 nan 8.360 nan 0.000 0.466 112 N N -0.098 118.665 118.700 0.106 0.000 2.094 112 N HA -0.155 4.586 4.740 0.001 0.000 0.191 112 N C 0.819 176.378 175.510 0.082 0.000 1.023 112 N CA 1.171 54.270 53.050 0.081 0.000 0.857 112 N CB 0.176 38.702 38.487 0.066 0.000 1.013 112 N HN -0.019 nan 8.380 nan 0.000 0.426 113 K N -0.469 119.986 120.400 0.091 0.000 2.397 113 K HA 0.245 4.566 4.320 0.001 0.000 0.202 113 K C 0.774 177.440 176.600 0.110 0.000 1.022 113 K CA 0.261 56.602 56.287 0.090 0.000 1.141 113 K CB 0.538 33.087 32.500 0.081 0.000 0.857 113 K HN 0.214 nan 8.250 nan 0.000 0.514 114 G N 2.112 110.985 108.800 0.121 0.000 2.153 114 G HA2 -0.324 3.636 3.960 0.001 0.000 0.252 114 G HA3 -0.324 3.636 3.960 0.001 0.000 0.252 114 G C 0.764 175.772 174.900 0.180 0.000 0.994 114 G CA 1.121 46.309 45.100 0.147 0.000 0.698 114 G HN 0.380 nan 8.290 nan 0.000 0.521 115 T N -3.283 111.365 114.554 0.157 0.000 3.107 115 T HA 0.422 4.772 4.350 0.001 0.000 0.249 115 T C 0.267 175.096 174.700 0.215 0.000 1.096 115 T CA 0.918 63.106 62.100 0.146 0.000 1.012 115 T CB 0.442 69.368 68.868 0.096 0.000 0.977 115 T HN 1.165 nan 8.240 nan 0.000 0.527 116 Y N 1.223 121.575 120.300 0.086 0.000 2.301 116 Y HA 0.582 5.133 4.550 0.001 0.000 0.325 116 Y C -2.062 173.848 175.900 0.017 0.000 1.103 116 Y CA -2.469 55.667 58.100 0.060 0.000 1.182 116 Y CB 0.830 39.309 38.460 0.031 0.000 1.139 116 Y HN 0.103 nan 8.280 nan 0.000 0.443 117 I N 9.252 129.452 120.570 -0.618 0.000 2.382 117 I HA 0.447 4.618 4.170 0.001 0.000 0.285 117 I C -2.611 173.026 176.117 -0.800 0.000 1.007 117 I CA -1.973 58.907 61.300 -0.699 0.000 1.142 117 I CB 2.034 39.545 38.000 -0.815 0.000 1.289 117 I HN 0.387 nan 8.210 nan 0.000 0.453 118 P HA 0.184 nan 4.420 nan 0.000 0.295 118 P C -0.377 176.765 177.300 -0.263 0.000 1.354 118 P CA -0.389 62.470 63.100 -0.401 0.000 0.814 118 P CB 1.495 33.066 31.700 -0.214 0.000 0.935 119 V N 7.121 126.905 119.914 -0.218 0.000 2.352 119 V HA 0.123 4.243 4.120 0.001 0.000 0.253 119 V C -1.499 174.552 176.094 -0.071 0.000 1.083 119 V CA -1.453 60.794 62.300 -0.087 0.000 0.993 119 V CB 0.183 32.017 31.823 0.018 0.000 1.111 119 V HN 0.513 nan 8.190 nan 0.000 0.490 120 P HA 0.160 nan 4.420 nan 0.000 0.271 120 P C -0.147 177.089 177.300 -0.107 0.000 1.226 120 P CA -0.312 62.728 63.100 -0.100 0.000 0.765 120 P CB 1.083 32.737 31.700 -0.077 0.000 0.835 121 I N 2.969 123.426 120.570 -0.187 0.000 2.587 121 I HA 0.183 4.354 4.170 0.001 0.000 0.284 121 I C -0.469 175.588 176.117 -0.100 0.000 1.134 121 I CA 0.019 61.212 61.300 -0.177 0.000 1.410 121 I CB 0.208 38.025 38.000 -0.306 0.000 1.392 121 I HN 0.017 nan 8.210 nan 0.000 0.545 122 V N 6.089 125.967 119.914 -0.060 0.000 2.850 122 V HA 0.395 4.516 4.120 0.001 0.000 0.315 122 V C 1.212 177.294 176.094 -0.020 0.000 1.064 122 V CA 0.272 62.552 62.300 -0.034 0.000 0.979 122 V CB 1.604 33.414 31.823 -0.022 0.000 1.039 122 V HN 1.012 nan 8.190 nan 0.000 0.452 123 S N 1.461 117.155 115.700 -0.009 0.000 2.336 123 S HA 0.037 4.507 4.470 0.001 0.000 0.216 123 S C 0.593 175.193 174.600 0.001 0.000 1.032 123 S CA 0.603 58.805 58.200 0.004 0.000 0.973 123 S CB -0.007 63.197 63.200 0.008 0.000 0.888 123 S HN 0.682 nan 8.310 nan 0.000 0.455 124 E N 0.574 120.771 120.200 -0.004 0.000 2.199 124 E HA 0.516 4.867 4.350 0.001 0.000 0.265 124 E C -1.329 175.263 176.600 -0.014 0.000 0.882 124 E CA -0.514 55.883 56.400 -0.006 0.000 0.759 124 E CB 1.249 30.946 29.700 -0.004 0.000 1.148 124 E HN 0.414 nan 8.360 nan 0.000 0.412 125 L N 5.326 126.537 121.223 -0.020 0.000 2.565 125 L HA 0.078 4.419 4.340 0.001 0.000 0.275 125 L C 0.878 177.729 176.870 -0.032 0.000 1.137 125 L CA -0.266 54.555 54.840 -0.031 0.000 0.915 125 L CB -0.112 41.918 42.059 -0.048 0.000 1.232 125 L HN 0.477 nan 8.230 nan 0.000 0.473 126 Q N 2.550 122.334 119.800 -0.027 0.000 2.354 126 Q HA 0.254 4.595 4.340 0.001 0.000 0.244 126 Q C -0.379 175.598 176.000 -0.039 0.000 0.969 126 Q CA -0.544 55.243 55.803 -0.026 0.000 0.885 126 Q CB 1.192 29.921 28.738 -0.016 0.000 1.241 126 Q HN 0.457 nan 8.270 nan 0.000 0.461 127 S N 0.354 116.029 115.700 -0.040 0.000 2.564 127 S HA 0.438 4.908 4.470 0.001 0.000 0.278 127 S C 1.108 175.677 174.600 -0.051 0.000 1.333 127 S CA 0.293 58.461 58.200 -0.054 0.000 1.048 127 S CB 0.490 63.661 63.200 -0.049 0.000 0.900 127 S HN 0.968 nan 8.310 nan 0.000 0.505 128 G N 2.242 110.998 108.800 -0.073 0.000 2.245 128 G HA2 -0.257 3.704 3.960 0.001 0.000 0.264 128 G HA3 -0.257 3.704 3.960 0.001 0.000 0.264 128 G C -0.084 174.781 174.900 -0.059 0.000 0.985 128 G CA 0.342 45.402 45.100 -0.066 0.000 0.625 128 G HN 0.599 nan 8.290 nan 0.000 0.536 129 K N -0.938 119.434 120.400 -0.047 0.000 2.208 129 K HA 0.491 4.811 4.320 0.001 0.000 0.247 129 K C -0.643 175.962 176.600 0.008 0.000 0.953 129 K CA -1.000 55.294 56.287 0.013 0.000 0.837 129 K CB 1.438 33.961 32.500 0.038 0.000 1.131 129 K HN 0.116 nan 8.250 nan 0.000 0.431 130 W N 0.533 121.809 121.300 -0.040 0.000 2.238 130 W HA 0.375 5.036 4.660 0.001 0.000 0.321 130 W C 0.612 177.098 176.519 -0.055 0.000 1.293 130 W CA 0.737 58.053 57.345 -0.049 0.000 1.204 130 W CB 1.424 30.859 29.460 -0.042 0.000 1.167 130 W HN 0.709 nan 8.180 nan 0.000 0.553 131 G N 0.650 109.585 108.800 0.225 0.000 2.579 131 G HA2 0.629 4.590 3.960 0.001 0.000 0.292 131 G HA3 0.629 4.590 3.960 0.001 0.000 0.292 131 G C -2.233 172.693 174.900 0.044 0.000 1.484 131 G CA -0.645 44.511 45.100 0.093 0.000 0.813 131 G HN 0.708 nan 8.290 nan 0.000 0.515 132 A N 0.904 123.721 122.820 -0.004 0.000 2.357 132 A HA 0.784 5.105 4.320 0.001 0.000 0.295 132 A C -0.347 177.210 177.584 -0.046 0.000 1.121 132 A CA -0.641 51.373 52.037 -0.038 0.000 0.742 132 A CB 1.517 20.490 19.000 -0.045 0.000 1.181 132 A HN 0.708 nan 8.150 nan 0.000 0.454 133 K N 3.442 123.823 120.400 -0.031 0.000 2.183 133 K HA 0.535 4.856 4.320 0.001 0.000 0.274 133 K C -0.771 175.834 176.600 0.009 0.000 1.009 133 K CA -0.530 55.751 56.287 -0.011 0.000 0.888 133 K CB 0.610 33.110 32.500 0.000 0.000 1.078 133 K HN 0.699 nan 8.250 nan 0.000 0.459 134 I N 6.037 126.611 120.570 0.007 0.000 2.329 134 I HA -0.054 4.117 4.170 0.001 0.000 0.295 134 I C 1.200 177.345 176.117 0.047 0.000 1.109 134 I CA -0.083 61.230 61.300 0.023 0.000 1.297 134 I CB 1.100 39.100 38.000 0.001 0.000 1.433 134 I HN 0.580 nan 8.210 nan 0.000 0.509 135 V N 7.947 127.899 119.914 0.062 0.000 2.788 135 V HA 0.117 4.238 4.120 0.001 0.000 0.251 135 V C 0.564 176.683 176.094 0.041 0.000 1.068 135 V CA 1.121 63.458 62.300 0.060 0.000 1.090 135 V CB 0.176 32.054 31.823 0.092 0.000 0.710 135 V HN 0.772 nan 8.190 nan 0.000 0.467 136 M N 1.227 120.855 119.600 0.045 0.000 2.366 136 M HA 0.333 4.814 4.480 0.001 0.000 0.287 136 M C -1.967 174.368 176.300 0.059 0.000 1.083 136 M CA -0.565 54.760 55.300 0.041 0.000 0.934 136 M CB 1.566 34.170 32.600 0.007 0.000 1.852 136 M HN 0.297 nan 8.290 nan 0.000 0.502 137 R N 2.890 123.437 120.500 0.078 0.000 2.409 137 R HA 0.597 4.938 4.340 0.001 0.000 0.313 137 R C -0.730 175.623 176.300 0.088 0.000 0.953 137 R CA -0.746 55.414 56.100 0.101 0.000 0.849 137 R CB 1.678 32.074 30.300 0.160 0.000 1.171 137 R HN 0.739 nan 8.270 nan 0.000 0.458 138 E N 2.666 122.911 120.200 0.075 0.000 2.267 138 E HA 0.080 4.430 4.350 0.001 0.000 0.258 138 E C -0.716 175.931 176.600 0.077 0.000 1.074 138 E CA -1.025 55.412 56.400 0.062 0.000 0.915 138 E CB 0.791 30.517 29.700 0.043 0.000 1.186 138 E HN 0.678 nan 8.360 nan 0.000 0.439 139 D N 1.250 121.689 120.400 0.065 0.000 2.661 139 D HA -0.180 4.461 4.640 0.001 0.000 0.244 139 D C -0.020 176.330 176.300 0.084 0.000 1.196 139 D CA 0.429 54.471 54.000 0.070 0.000 0.881 139 D CB 0.245 41.075 40.800 0.051 0.000 1.141 139 D HN 0.748 nan 8.370 nan 0.000 0.530 140 R N 0.469 121.038 120.500 0.116 0.000 3.862 140 R HA -0.161 4.180 4.340 0.001 0.000 0.470 140 R C -0.115 176.285 176.300 0.167 0.000 0.879 140 R CA 1.452 57.643 56.100 0.151 0.000 1.508 140 R CB -1.816 28.551 30.300 0.112 0.000 2.170 140 R HN 0.527 nan 8.270 nan 0.000 0.496 141 S N -0.038 115.731 115.700 0.114 0.000 2.621 141 S HA 0.722 5.193 4.470 0.001 0.000 0.302 141 S C -0.214 174.435 174.600 0.081 0.000 1.093 141 S CA -0.737 57.492 58.200 0.049 0.000 1.017 141 S CB 3.003 66.226 63.200 0.038 0.000 1.077 141 S HN 0.084 nan 8.310 nan 0.000 0.517 142 V N 1.963 121.881 119.914 0.008 0.000 2.760 142 V HA 0.601 4.721 4.120 0.001 0.000 0.309 142 V C -0.529 175.591 176.094 0.045 0.000 1.077 142 V CA -0.884 61.450 62.300 0.057 0.000 0.910 142 V CB 1.962 33.847 31.823 0.103 0.000 1.008 142 V HN 0.775 nan 8.190 nan 0.000 0.424 143 R N 3.859 124.405 120.500 0.077 0.000 2.387 143 R HA 0.788 5.129 4.340 0.001 0.000 0.314 143 R C -1.530 174.839 176.300 0.116 0.000 0.958 143 R CA -0.213 55.952 56.100 0.109 0.000 0.846 143 R CB 0.948 31.294 30.300 0.075 0.000 1.147 143 R HN 0.739 nan 8.270 nan 0.000 0.447 144 L N 1.778 123.094 121.223 0.154 0.000 2.319 144 L HA 0.595 4.936 4.340 0.001 0.000 0.267 144 L C -0.344 176.634 176.870 0.179 0.000 1.011 144 L CA -1.132 53.782 54.840 0.124 0.000 0.818 144 L CB 2.246 44.352 42.059 0.078 0.000 1.316 144 L HN 0.614 nan 8.230 nan 0.000 0.432 145 S N 1.909 117.658 115.700 0.081 0.000 2.669 145 S HA 0.607 5.078 4.470 0.001 0.000 0.315 145 S C -0.716 173.780 174.600 -0.172 0.000 1.106 145 S CA -0.505 57.685 58.200 -0.017 0.000 1.107 145 S CB 0.139 63.360 63.200 0.035 0.000 0.990 145 S HN 0.405 nan 8.310 nan 0.000 0.471 146 I N 4.170 124.500 120.570 -0.400 0.000 2.392 146 I HA 0.434 4.605 4.170 0.001 0.000 0.295 146 I C 0.162 175.979 176.117 -0.500 0.000 0.985 146 I CA -0.545 60.489 61.300 -0.443 0.000 1.221 146 I CB 1.710 39.357 38.000 -0.588 0.000 1.366 146 I HN 0.543 nan 8.210 nan 0.000 0.467 147 Q N 5.092 124.731 119.800 -0.269 0.000 2.330 147 Q HA 0.440 4.781 4.340 0.001 0.000 0.269 147 Q C -1.038 174.619 176.000 -0.571 0.000 1.022 147 Q CA -0.700 54.921 55.803 -0.302 0.000 0.796 147 Q CB 1.854 30.466 28.738 -0.209 0.000 1.271 147 Q HN 0.817 nan 8.270 nan 0.000 0.450 148 S N 2.005 117.216 115.700 -0.815 0.000 2.632 148 S HA 0.372 4.843 4.470 0.001 0.000 0.271 148 S C 0.029 174.027 174.600 -1.002 0.000 1.260 148 S CA -0.820 56.396 58.200 -1.640 0.000 1.010 148 S CB 1.649 64.130 63.200 -1.198 0.000 0.965 148 S HN 0.612 nan 8.310 nan 0.000 0.534 149 S N 2.120 117.179 115.700 -1.068 0.000 2.548 149 S HA 0.254 4.725 4.470 0.001 0.000 0.277 149 S C -1.291 173.156 174.600 -0.256 0.000 1.315 149 S CA -1.582 56.369 58.200 -0.416 0.000 1.050 149 S CB 0.394 63.500 63.200 -0.158 0.000 0.918 149 S HN 0.610 nan 8.310 nan 0.000 0.497 150 P HA -0.112 nan 4.420 nan 0.000 0.220 150 P C 0.294 177.591 177.300 -0.005 0.000 1.144 150 P CA 1.255 64.315 63.100 -0.067 0.000 0.800 150 P CB 0.059 31.730 31.700 -0.047 0.000 0.772 151 K N -1.366 119.035 120.400 0.002 0.000 2.410 151 K HA 0.097 4.418 4.320 0.001 0.000 0.200 151 K C 0.977 177.620 176.600 0.071 0.000 1.023 151 K CA -0.435 55.885 56.287 0.055 0.000 1.149 151 K CB -0.264 32.273 32.500 0.062 0.000 0.859 151 K HN 0.122 nan 8.250 nan 0.000 0.514 152 C N 1.308 120.630 119.300 0.037 0.000 2.837 152 C HA 0.056 4.517 4.460 0.001 0.000 0.381 152 C C 0.813 175.858 174.990 0.092 0.000 1.298 152 C CA -0.430 58.647 59.018 0.097 0.000 2.083 152 C CB -0.161 27.584 27.740 0.009 0.000 2.664 152 C HN 0.307 nan 8.230 nan 0.000 0.736 153 I N 3.033 123.721 120.570 0.197 0.000 2.532 153 I HA 0.279 4.450 4.170 0.001 0.000 0.292 153 I C 0.025 176.225 176.117 0.140 0.000 1.014 153 I CA -0.319 61.075 61.300 0.157 0.000 1.340 153 I CB 1.165 39.291 38.000 0.211 0.000 1.422 153 I HN 0.308 nan 8.210 nan 0.000 0.528 154 V N 4.726 124.595 119.914 -0.075 0.000 2.465 154 V HA 0.816 4.936 4.120 0.001 0.000 0.279 154 V C 0.531 176.622 176.094 -0.005 0.000 1.045 154 V CA 0.196 62.401 62.300 -0.159 0.000 0.938 154 V CB 0.774 32.258 31.823 -0.565 0.000 0.986 154 V HN 1.074 nan 8.190 nan 0.000 0.467 155 G N 4.123 112.970 108.800 0.078 0.000 2.359 155 G HA2 0.187 4.148 3.960 0.001 0.000 0.293 155 G HA3 0.187 4.148 3.960 0.001 0.000 0.293 155 G C -1.300 173.619 174.900 0.032 0.000 1.300 155 G CA -0.902 44.210 45.100 0.020 0.000 0.888 155 G HN 0.663 nan 8.290 nan 0.000 0.541 156 K N 0.517 120.825 120.400 -0.153 0.000 2.263 156 K HA 0.589 4.910 4.320 0.001 0.000 0.282 156 K C -0.640 175.841 176.600 -0.198 0.000 1.089 156 K CA -0.449 55.647 56.287 -0.319 0.000 0.907 156 K CB 0.024 32.173 32.500 -0.585 0.000 1.148 156 K HN 0.228 nan 8.250 nan 0.000 0.470 157 F N 2.229 122.083 119.950 -0.160 0.000 2.370 157 F HA 0.406 4.934 4.527 0.001 0.000 0.319 157 F C 0.787 176.572 175.800 -0.024 0.000 1.129 157 F CA -0.514 57.473 58.000 -0.022 0.000 1.109 157 F CB 0.944 40.004 39.000 0.100 0.000 1.262 157 F HN 0.317 nan 8.300 nan 0.000 0.534 158 R N 1.408 122.034 120.500 0.210 0.000 2.387 158 R HA 0.450 4.791 4.340 0.001 0.000 0.314 158 R C -0.737 175.487 176.300 -0.128 0.000 0.958 158 R CA -0.608 55.469 56.100 -0.037 0.000 0.846 158 R CB 1.647 31.902 30.300 -0.075 0.000 1.147 158 R HN 0.646 nan 8.270 nan 0.000 0.447 159 M N 3.396 122.798 119.600 -0.331 0.000 2.318 159 M HA 0.417 4.898 4.480 0.001 0.000 0.347 159 M C -1.568 174.364 176.300 -0.613 0.000 1.175 159 M CA -0.324 54.700 55.300 -0.459 0.000 1.075 159 M CB 0.877 33.301 32.600 -0.293 0.000 1.614 159 M HN 0.566 nan 8.290 nan 0.000 0.456 160 Y N 1.905 122.085 120.300 -0.200 0.000 2.513 160 Y HA 0.520 5.071 4.550 0.001 0.000 0.340 160 Y C -0.846 175.004 175.900 -0.083 0.000 1.055 160 Y CA -0.918 57.120 58.100 -0.104 0.000 1.020 160 Y CB 1.921 40.345 38.460 -0.060 0.000 1.301 160 Y HN 0.345 nan 8.280 nan 0.000 0.453 161 V N 2.365 122.362 119.914 0.138 0.000 2.483 161 V HA 0.894 5.015 4.120 0.001 0.000 0.295 161 V C -0.333 175.863 176.094 0.170 0.000 1.035 161 V CA -0.741 61.656 62.300 0.161 0.000 0.896 161 V CB 1.373 33.295 31.823 0.165 0.000 0.986 161 V HN 0.854 nan 8.190 nan 0.000 0.447 162 A N 4.152 127.094 122.820 0.204 0.000 2.355 162 A HA 0.876 5.197 4.320 0.001 0.000 0.317 162 A C -1.041 176.659 177.584 0.194 0.000 1.094 162 A CA -0.573 51.532 52.037 0.114 0.000 0.764 162 A CB 1.854 20.882 19.000 0.047 0.000 1.230 162 A HN 0.647 nan 8.150 nan 0.000 0.448 163 V N 1.869 121.807 119.914 0.041 0.000 2.378 163 V HA 0.290 4.410 4.120 0.001 0.000 0.288 163 V C -1.131 174.899 176.094 -0.106 0.000 1.016 163 V CA -0.394 61.952 62.300 0.075 0.000 0.840 163 V CB 1.044 32.875 31.823 0.013 0.000 0.994 163 V HN 0.882 nan 8.190 nan 0.000 0.431 164 W N 3.839 125.098 121.300 -0.067 0.000 2.388 164 W HA 0.504 5.165 4.660 0.001 0.000 0.308 164 W C 1.005 177.344 176.519 -0.301 0.000 1.263 164 W CA -0.110 57.151 57.345 -0.141 0.000 1.286 164 W CB 1.025 30.441 29.460 -0.072 0.000 1.294 164 W HN 0.661 nan 8.180 nan 0.000 0.493 165 T N 0.987 115.352 114.554 -0.315 0.000 2.944 165 T HA 0.393 4.743 4.350 0.001 0.000 0.284 165 T C -1.359 173.123 174.700 -0.363 0.000 1.010 165 T CA -2.094 59.631 62.100 -0.624 0.000 1.025 165 T CB 2.128 70.472 68.868 -0.874 0.000 1.079 165 T HN 0.246 nan 8.240 nan 0.000 0.516 166 P HA -0.004 nan 4.420 nan 0.000 0.230 166 P C 0.222 177.272 177.300 -0.416 0.000 1.158 166 P CA 0.833 63.665 63.100 -0.446 0.000 0.769 166 P CB -0.257 31.141 31.700 -0.504 0.000 0.807 167 Y N -1.225 119.083 120.300 0.014 0.000 2.507 167 Y HA 0.594 5.145 4.550 0.001 0.000 0.254 167 Y C 1.471 177.336 175.900 -0.058 0.000 1.171 167 Y CA -0.122 57.977 58.100 -0.002 0.000 1.238 167 Y CB 0.200 38.668 38.460 0.013 0.000 1.148 167 Y HN 0.018 nan 8.280 nan 0.000 0.525 168 G N -0.422 108.349 108.800 -0.048 0.000 2.403 168 G HA2 0.274 4.234 3.960 0.001 0.000 0.223 168 G HA3 0.274 4.234 3.960 0.001 0.000 0.223 168 G C -1.986 172.685 174.900 -0.382 0.000 1.287 168 G CA -0.568 44.432 45.100 -0.167 0.000 0.982 168 G HN -0.106 nan 8.290 nan 0.000 0.471 169 V N 0.872 120.536 119.914 -0.417 0.000 2.638 169 V HA 0.675 4.796 4.120 0.001 0.000 0.306 169 V C -0.326 175.579 176.094 -0.315 0.000 1.052 169 V CA -0.556 61.428 62.300 -0.525 0.000 0.885 169 V CB 1.508 32.904 31.823 -0.712 0.000 0.999 169 V HN 0.665 nan 8.190 nan 0.000 0.424 170 L N 5.771 126.834 121.223 -0.268 0.000 2.329 170 L HA 0.842 5.183 4.340 0.001 0.000 0.279 170 L C -0.148 176.649 176.870 -0.121 0.000 1.014 170 L CA -0.567 54.182 54.840 -0.152 0.000 0.814 170 L CB 1.763 43.758 42.059 -0.106 0.000 1.257 170 L HN 0.810 nan 8.230 nan 0.000 0.424 171 R N 0.353 120.804 120.500 -0.083 0.000 2.710 171 R HA 0.605 4.946 4.340 0.001 0.000 0.270 171 R C -0.865 175.439 176.300 0.007 0.000 1.021 171 R CA -0.721 55.355 56.100 -0.040 0.000 0.889 171 R CB 1.323 31.565 30.300 -0.096 0.000 1.243 171 R HN 0.552 nan 8.270 nan 0.000 0.464 172 T N 0.416 115.014 114.554 0.073 0.000 2.748 172 T HA 0.264 4.615 4.350 0.001 0.000 0.304 172 T C 0.395 175.188 174.700 0.154 0.000 1.041 172 T CA -0.331 61.831 62.100 0.103 0.000 1.033 172 T CB 0.585 69.519 68.868 0.111 0.000 0.995 172 T HN 0.696 nan 8.240 nan 0.000 0.536 173 S N -0.309 115.463 115.700 0.120 0.000 2.651 173 S HA 0.524 4.995 4.470 0.001 0.000 0.291 173 S C -0.055 174.636 174.600 0.152 0.000 1.141 173 S CA -1.300 56.977 58.200 0.128 0.000 1.027 173 S CB 0.967 64.197 63.200 0.050 0.000 1.043 173 S HN 0.731 nan 8.310 nan 0.000 0.530 174 R N 1.742 122.353 120.500 0.184 0.000 2.763 174 R HA -0.023 4.317 4.340 0.001 0.000 0.348 174 R C -0.698 175.586 176.300 -0.025 0.000 0.826 174 R CA 0.597 56.752 56.100 0.091 0.000 1.109 174 R CB -0.986 29.364 30.300 0.083 0.000 0.889 174 R HN 0.676 nan 8.270 nan 0.000 0.402 175 N N 5.668 124.298 118.700 -0.116 0.000 2.626 175 N HA 0.332 5.073 4.740 0.001 0.000 0.249 175 N C -2.291 173.140 175.510 -0.131 0.000 1.021 175 N CA -2.466 50.520 53.050 -0.108 0.000 0.886 175 N CB 1.729 40.150 38.487 -0.111 0.000 1.149 175 N HN 0.271 nan 8.380 nan 0.000 0.517 176 P HA -0.107 nan 4.420 nan 0.000 0.220 176 P C 0.757 178.008 177.300 -0.080 0.000 1.144 176 P CA 0.969 64.017 63.100 -0.087 0.000 0.800 176 P CB 0.467 32.132 31.700 -0.058 0.000 0.772 177 E N -0.983 119.172 120.200 -0.076 0.000 2.204 177 E HA -0.088 4.263 4.350 0.001 0.000 0.194 177 E C 1.578 178.133 176.600 -0.075 0.000 0.989 177 E CA 1.619 57.980 56.400 -0.065 0.000 0.824 177 E CB -0.808 28.855 29.700 -0.061 0.000 0.756 177 E HN 0.407 nan 8.360 nan 0.000 0.477 178 T N -0.865 113.628 114.554 -0.101 0.000 3.144 178 T HA 0.044 4.395 4.350 0.001 0.000 0.249 178 T C 0.278 174.932 174.700 -0.077 0.000 1.089 178 T CA -0.414 61.627 62.100 -0.098 0.000 0.989 178 T CB -0.018 68.771 68.868 -0.131 0.000 0.992 178 T HN -0.230 nan 8.240 nan 0.000 0.540 179 D N 3.091 123.436 120.400 -0.091 0.000 2.487 179 D HA 0.201 4.841 4.640 0.001 0.000 0.243 179 D C -0.153 176.109 176.300 -0.063 0.000 1.154 179 D CA 0.647 54.593 54.000 -0.090 0.000 0.876 179 D CB 0.828 41.543 40.800 -0.141 0.000 1.161 179 D HN 0.180 nan 8.370 nan 0.000 0.478 180 T N 2.720 117.267 114.554 -0.012 0.000 2.779 180 T HA 0.261 4.612 4.350 0.001 0.000 0.280 180 T C -0.298 174.371 174.700 -0.052 0.000 0.987 180 T CA -0.487 61.598 62.100 -0.025 0.000 0.966 180 T CB 0.340 69.214 68.868 0.011 0.000 0.933 180 T HN 0.102 nan 8.240 nan 0.000 0.442 181 Y N 2.708 122.944 120.300 -0.108 0.000 2.336 181 Y HA 0.457 5.007 4.550 0.001 0.000 0.335 181 Y C 0.543 176.339 175.900 -0.174 0.000 1.046 181 Y CA -0.792 57.252 58.100 -0.094 0.000 1.198 181 Y CB 0.553 38.916 38.460 -0.163 0.000 1.182 181 Y HN 0.458 nan 8.280 nan 0.000 0.502 182 I N 6.095 126.687 120.570 0.037 0.000 2.354 182 I HA 0.299 4.470 4.170 0.001 0.000 0.286 182 I C -0.543 175.527 176.117 -0.078 0.000 1.007 182 I CA -0.358 60.874 61.300 -0.114 0.000 1.167 182 I CB 0.727 38.576 38.000 -0.251 0.000 1.320 182 I HN 0.450 nan 8.210 nan 0.000 0.458 183 L N 4.617 125.789 121.223 -0.085 0.000 2.397 183 L HA 0.570 4.911 4.340 0.001 0.000 0.266 183 L C -0.270 176.578 176.870 -0.037 0.000 1.040 183 L CA -0.881 53.914 54.840 -0.074 0.000 0.800 183 L CB 0.763 42.843 42.059 0.034 0.000 1.324 183 L HN 0.243 nan 8.230 nan 0.000 0.469 184 F N 0.330 120.335 119.950 0.092 0.000 2.444 184 F HA 0.134 4.662 4.527 0.001 0.000 0.331 184 F C 0.663 176.569 175.800 0.176 0.000 1.167 184 F CA 0.123 58.187 58.000 0.107 0.000 1.262 184 F CB 0.205 39.257 39.000 0.087 0.000 1.196 184 F HN 0.364 nan 8.300 nan 0.000 0.583 185 N N 1.898 120.840 118.700 0.405 0.000 2.690 185 N HA 0.346 5.087 4.740 0.001 0.000 0.255 185 N C -2.409 173.323 175.510 0.370 0.000 1.195 185 N CA -2.077 51.217 53.050 0.407 0.000 0.790 185 N CB 1.104 39.770 38.487 0.300 0.000 1.216 185 N HN 0.006 nan 8.380 nan 0.000 0.528 186 P HA -0.013 nan 4.420 nan 0.000 0.226 186 P C 0.576 177.892 177.300 0.027 0.000 1.146 186 P CA 0.876 63.984 63.100 0.014 0.000 0.773 186 P CB 0.083 31.576 31.700 -0.344 0.000 0.772 187 W N -2.244 119.170 121.300 0.189 0.000 3.290 187 W HA 0.222 4.883 4.660 0.001 0.000 0.287 187 W C 0.061 176.648 176.519 0.113 0.000 1.288 187 W CA -0.292 57.163 57.345 0.184 0.000 1.725 187 W CB -0.074 29.451 29.460 0.110 0.000 1.103 187 W HN -0.086 nan 8.180 nan 0.000 0.670 188 C N 2.116 121.540 119.300 0.206 0.000 2.281 188 C HA 0.240 4.701 4.460 0.001 0.000 0.323 188 C C 1.770 176.450 174.990 -0.518 0.000 1.270 188 C CA -0.405 58.558 59.018 -0.092 0.000 1.559 188 C CB 0.334 28.081 27.740 0.012 0.000 2.239 188 C HN 0.290 nan 8.230 nan 0.000 0.488 189 E N 1.829 121.574 120.200 -0.758 0.000 2.236 189 E HA -0.243 4.108 4.350 0.001 0.000 0.205 189 E C 0.766 177.123 176.600 -0.405 0.000 1.028 189 E CA 1.907 57.796 56.400 -0.851 0.000 0.827 189 E CB 0.195 29.646 29.700 -0.414 0.000 0.735 189 E HN 0.763 nan 8.360 nan 0.000 0.470 190 D N 0.150 120.416 120.400 -0.224 0.000 2.392 190 D HA -0.020 4.621 4.640 0.001 0.000 0.206 190 D C 0.493 176.777 176.300 -0.026 0.000 1.046 190 D CA 0.083 54.026 54.000 -0.095 0.000 0.865 190 D CB 0.022 40.776 40.800 -0.076 0.000 0.969 190 D HN 0.025 nan 8.370 nan 0.000 0.509 191 D N 0.868 121.267 120.400 -0.003 0.000 2.425 191 D HA 0.096 4.737 4.640 0.001 0.000 0.247 191 D C 1.122 177.487 176.300 0.107 0.000 1.147 191 D CA -0.066 53.985 54.000 0.084 0.000 0.879 191 D CB 1.505 42.391 40.800 0.143 0.000 1.179 191 D HN -0.035 nan 8.370 nan 0.000 0.456 192 A N 3.431 126.307 122.820 0.094 0.000 2.131 192 A HA -0.112 4.208 4.320 0.001 0.000 0.220 192 A C 1.764 179.361 177.584 0.021 0.000 1.158 192 A CA 0.704 52.769 52.037 0.047 0.000 0.665 192 A CB 0.101 19.121 19.000 0.032 0.000 0.795 192 A HN 0.428 nan 8.150 nan 0.000 0.460 193 V N -0.594 119.364 119.914 0.073 0.000 3.271 193 V HA 0.168 4.289 4.120 0.001 0.000 0.327 193 V C 0.175 176.399 176.094 0.217 0.000 1.389 193 V CA -0.600 61.739 62.300 0.064 0.000 1.156 193 V CB -0.934 30.849 31.823 -0.066 0.000 1.103 193 V HN 0.546 nan 8.190 nan 0.000 0.453 194 Y N 1.154 121.510 120.300 0.093 0.000 2.610 194 Y HA 0.335 4.886 4.550 0.001 0.000 0.332 194 Y C -0.268 175.689 175.900 0.095 0.000 1.201 194 Y CA 0.029 58.166 58.100 0.062 0.000 1.465 194 Y CB 0.422 38.910 38.460 0.046 0.000 1.283 194 Y HN 0.138 nan 8.280 nan 0.000 0.563 195 L N 6.499 127.355 121.223 -0.612 0.000 2.362 195 L HA 0.226 4.567 4.340 0.001 0.000 0.275 195 L C 0.417 176.623 176.870 -1.106 0.000 0.998 195 L CA -0.661 53.661 54.840 -0.863 0.000 0.820 195 L CB 1.784 43.375 42.059 -0.780 0.000 1.270 195 L HN 0.676 nan 8.230 nan 0.000 0.415 196 D N 1.141 121.013 120.400 -0.879 0.000 2.218 196 D HA -0.114 4.527 4.640 0.001 0.000 0.204 196 D C -0.025 176.082 176.300 -0.322 0.000 0.976 196 D CA 1.345 55.001 54.000 -0.573 0.000 0.853 196 D CB 0.089 40.701 40.800 -0.314 0.000 0.939 196 D HN 0.644 nan 8.370 nan 0.000 0.481 197 N N -1.799 116.699 118.700 -0.337 0.000 2.455 197 N HA 0.261 5.002 4.740 0.001 0.000 0.278 197 N C 0.171 175.535 175.510 -0.244 0.000 1.291 197 N CA -0.746 52.175 53.050 -0.216 0.000 0.780 197 N CB 1.611 40.002 38.487 -0.160 0.000 1.520 197 N HN -0.358 nan 8.380 nan 0.000 0.486 198 E N 0.272 120.386 120.200 -0.143 0.000 2.072 198 E HA -0.055 4.296 4.350 0.001 0.000 0.191 198 E C 1.040 177.554 176.600 -0.144 0.000 0.985 198 E CA 1.347 57.678 56.400 -0.116 0.000 0.801 198 E CB 0.066 29.768 29.700 0.004 0.000 0.750 198 E HN 0.486 nan 8.360 nan 0.000 0.452 199 K N 0.604 120.925 120.400 -0.132 0.000 2.089 199 K HA -0.222 4.099 4.320 0.001 0.000 0.210 199 K C 2.055 178.505 176.600 -0.250 0.000 1.048 199 K CA 1.745 57.943 56.287 -0.148 0.000 0.926 199 K CB -0.226 32.203 32.500 -0.119 0.000 0.714 199 K HN 0.364 nan 8.250 nan 0.000 0.448 200 E N 0.043 120.069 120.200 -0.291 0.000 2.028 200 E HA -0.111 4.240 4.350 0.001 0.000 0.190 200 E C 2.228 178.577 176.600 -0.417 0.000 0.984 200 E CA 0.660 56.815 56.400 -0.408 0.000 0.800 200 E CB -0.051 29.484 29.700 -0.275 0.000 0.758 200 E HN 0.256 nan 8.360 nan 0.000 0.448 201 R N 1.054 121.319 120.500 -0.392 0.000 2.096 201 R HA -0.195 4.146 4.340 0.001 0.000 0.240 201 R C 2.266 178.441 176.300 -0.210 0.000 1.139 201 R CA 1.521 57.353 56.100 -0.447 0.000 0.952 201 R CB -0.344 29.490 30.300 -0.776 0.000 0.854 201 R HN 0.269 nan 8.270 nan 0.000 0.436 202 E N 0.146 120.273 120.200 -0.121 0.000 2.110 202 E HA -0.224 4.127 4.350 0.001 0.000 0.193 202 E C 1.977 178.552 176.600 -0.042 0.000 0.988 202 E CA 1.193 57.592 56.400 -0.003 0.000 0.804 202 E CB 0.046 29.748 29.700 0.004 0.000 0.745 202 E HN 0.234 nan 8.360 nan 0.000 0.458 203 E N 0.205 120.282 120.200 -0.205 0.000 2.028 203 E HA -0.158 4.193 4.350 0.001 0.000 0.190 203 E C 1.384 177.898 176.600 -0.144 0.000 0.984 203 E CA 1.329 57.564 56.400 -0.275 0.000 0.800 203 E CB -0.198 29.139 29.700 -0.605 0.000 0.758 203 E HN 0.279 nan 8.360 nan 0.000 0.448 204 Y N -0.773 119.541 120.300 0.024 0.000 2.511 204 Y HA 0.174 4.724 4.550 0.001 0.000 0.279 204 Y C 1.741 177.649 175.900 0.014 0.000 1.157 204 Y CA 0.192 58.317 58.100 0.042 0.000 1.300 204 Y CB 0.189 38.693 38.460 0.073 0.000 1.052 204 Y HN -0.033 nan 8.280 nan 0.000 0.529 205 V N -1.851 118.140 119.914 0.129 0.000 2.950 205 V HA -0.011 4.110 4.120 0.001 0.000 0.231 205 V C 1.763 178.002 176.094 0.241 0.000 1.205 205 V CA 0.256 62.648 62.300 0.152 0.000 1.239 205 V CB -0.316 31.594 31.823 0.145 0.000 1.050 205 V HN 0.023 nan 8.190 nan 0.000 0.498 206 L N 0.646 122.048 121.223 0.297 0.000 2.240 206 L HA 0.136 4.477 4.340 0.001 0.000 0.211 206 L C 1.082 178.175 176.870 0.371 0.000 1.106 206 L CA 1.048 56.132 54.840 0.407 0.000 0.793 206 L CB -1.471 40.763 42.059 0.292 0.000 0.927 206 L HN 0.352 nan 8.230 nan 0.000 0.446 207 N N 1.975 120.817 118.700 0.237 0.000 2.416 207 N HA -0.070 4.671 4.740 0.001 0.000 0.265 207 N C 0.525 176.202 175.510 0.279 0.000 1.195 207 N CA 0.088 53.269 53.050 0.219 0.000 0.943 207 N CB 0.633 39.215 38.487 0.158 0.000 1.115 207 N HN 0.194 nan 8.380 nan 0.000 0.481 208 D N 3.468 124.028 120.400 0.267 0.000 2.325 208 D HA 0.061 4.702 4.640 0.001 0.000 0.225 208 D C 0.225 176.612 176.300 0.145 0.000 1.096 208 D CA 0.189 54.331 54.000 0.237 0.000 0.844 208 D CB 0.029 40.962 40.800 0.221 0.000 0.925 208 D HN 0.390 nan 8.370 nan 0.000 0.513 209 I N -0.349 120.263 120.570 0.070 0.000 2.686 209 I HA 0.627 4.797 4.170 0.001 0.000 0.295 209 I C 0.192 176.178 176.117 -0.219 0.000 1.114 209 I CA -1.073 60.125 61.300 -0.170 0.000 1.038 209 I CB 2.472 40.401 38.000 -0.118 0.000 1.238 209 I HN -0.001 nan 8.210 nan 0.000 0.420 210 G N 3.185 111.700 108.800 -0.474 0.000 2.727 210 G HA2 0.728 4.689 3.960 0.001 0.000 0.289 210 G HA3 0.728 4.689 3.960 0.001 0.000 0.289 210 G C -1.447 173.305 174.900 -0.246 0.000 1.418 210 G CA -0.586 44.344 45.100 -0.282 0.000 0.818 210 G HN 0.563 nan 8.290 nan 0.000 0.486 211 V N -1.907 117.862 119.914 -0.242 0.000 2.656 211 V HA 0.809 4.930 4.120 0.001 0.000 0.307 211 V C -0.958 174.818 176.094 -0.530 0.000 1.051 211 V CA -1.081 60.983 62.300 -0.394 0.000 0.893 211 V CB 1.451 32.977 31.823 -0.496 0.000 0.999 211 V HN 0.558 nan 8.190 nan 0.000 0.426 212 I N 5.025 125.297 120.570 -0.497 0.000 2.336 212 I HA 0.520 4.690 4.170 0.001 0.000 0.292 212 I C -0.550 175.297 176.117 -0.450 0.000 0.991 212 I CA -0.045 60.994 61.300 -0.436 0.000 1.227 212 I CB 1.284 39.042 38.000 -0.403 0.000 1.366 212 I HN 0.539 nan 8.210 nan 0.000 0.466 213 F N 7.696 127.572 119.950 -0.124 0.000 2.405 213 F HA 0.419 4.946 4.527 0.001 0.000 0.355 213 F C 0.169 175.841 175.800 -0.215 0.000 1.121 213 F CA -0.368 57.569 58.000 -0.106 0.000 1.112 213 F CB 0.295 39.253 39.000 -0.070 0.000 1.126 213 F HN 0.436 nan 8.300 nan 0.000 0.481 214 Y N 0.774 120.889 120.300 -0.309 0.000 3.323 214 Y HA 0.911 5.462 4.550 0.001 0.000 0.285 214 Y C 0.850 176.558 175.900 -0.320 0.000 1.897 214 Y CA -1.140 56.429 58.100 -0.884 0.000 0.959 214 Y CB -0.019 37.620 38.460 -1.368 0.000 1.453 214 Y HN 0.778 nan 8.280 nan 0.000 0.602 215 G N 1.025 109.546 108.800 -0.464 0.000 2.588 215 G HA2 0.026 3.987 3.960 0.001 0.000 0.273 215 G HA3 0.026 3.987 3.960 0.001 0.000 0.273 215 G C -0.659 174.308 174.900 0.112 0.000 1.211 215 G CA 0.740 45.715 45.100 -0.208 0.000 0.958 215 G HN 1.402 nan 8.290 nan 0.000 0.543 216 E N -1.521 118.653 120.200 -0.044 0.000 2.412 216 E HA 0.639 4.989 4.350 0.001 0.000 0.279 216 E C 0.853 177.167 176.600 -0.477 0.000 0.984 216 E CA -0.130 56.204 56.400 -0.110 0.000 0.788 216 E CB 1.097 30.779 29.700 -0.030 0.000 1.277 216 E HN 1.238 nan 8.360 nan 0.000 0.455 217 V N 0.308 119.827 119.914 -0.659 0.000 2.370 217 V HA -0.289 3.831 4.120 0.001 0.000 0.252 217 V C 0.923 176.764 176.094 -0.422 0.000 1.068 217 V CA 2.021 63.891 62.300 -0.716 0.000 1.061 217 V CB -0.972 30.601 31.823 -0.416 0.000 0.656 217 V HN 0.729 nan 8.190 nan 0.000 0.455 218 N N -0.034 118.514 118.700 -0.252 0.000 2.276 218 N HA 0.116 4.857 4.740 0.001 0.000 0.212 218 N C 0.029 175.436 175.510 -0.173 0.000 1.127 218 N CA 0.427 53.373 53.050 -0.174 0.000 0.834 218 N CB 0.626 39.053 38.487 -0.101 0.000 1.014 218 N HN 0.552 nan 8.380 nan 0.000 0.491 219 D N 0.456 120.719 120.400 -0.227 0.000 3.602 219 D HA 0.197 4.837 4.640 0.001 0.000 0.275 219 D C -0.596 175.551 176.300 -0.254 0.000 1.348 219 D CA -0.267 53.615 54.000 -0.197 0.000 0.768 219 D CB -0.041 40.672 40.800 -0.145 0.000 1.373 219 D HN 0.009 nan 8.370 nan 0.000 0.683 220 I N 1.964 122.354 120.570 -0.300 0.000 2.671 220 I HA -0.047 4.124 4.170 0.001 0.000 0.285 220 I C 0.857 176.841 176.117 -0.222 0.000 1.148 220 I CA 0.741 61.864 61.300 -0.294 0.000 1.386 220 I CB 0.196 38.004 38.000 -0.320 0.000 1.406 220 I HN -0.147 nan 8.210 nan 0.000 0.540 221 K N 4.864 125.049 120.400 -0.359 0.000 2.095 221 K HA 0.637 4.958 4.320 0.001 0.000 0.252 221 K C -0.338 176.092 176.600 -0.283 0.000 0.977 221 K CA -0.695 55.310 56.287 -0.469 0.000 0.900 221 K CB 1.790 33.725 32.500 -0.941 0.000 1.060 221 K HN 0.419 nan 8.250 nan 0.000 0.449 222 T N 1.391 115.896 114.554 -0.081 0.000 2.906 222 T HA 0.521 4.872 4.350 0.001 0.000 0.295 222 T C -1.127 173.598 174.700 0.041 0.000 1.061 222 T CA -1.034 61.068 62.100 0.003 0.000 1.000 222 T CB 1.508 70.386 68.868 0.017 0.000 1.103 222 T HN 0.757 nan 8.240 nan 0.000 0.486 223 R N -0.111 120.322 120.500 -0.113 0.000 2.629 223 R HA 0.728 5.068 4.340 0.001 0.000 0.266 223 R C -1.452 174.706 176.300 -0.238 0.000 1.051 223 R CA -0.783 55.194 56.100 -0.205 0.000 0.895 223 R CB 1.250 31.262 30.300 -0.480 0.000 1.246 223 R HN 0.476 nan 8.270 nan 0.000 0.459 224 S N 1.491 117.088 115.700 -0.173 0.000 2.617 224 S HA 0.520 4.991 4.470 0.001 0.000 0.283 224 S C -1.529 173.054 174.600 -0.028 0.000 1.189 224 S CA -0.578 57.548 58.200 -0.124 0.000 1.036 224 S CB 0.774 63.913 63.200 -0.102 0.000 1.014 224 S HN 0.508 nan 8.310 nan 0.000 0.522 225 W N 2.556 123.663 121.300 -0.322 0.000 2.998 225 W HA 0.388 5.049 4.660 0.001 0.000 0.335 225 W C -0.850 175.439 176.519 -0.384 0.000 1.110 225 W CA -0.797 56.371 57.345 -0.295 0.000 1.230 225 W CB 1.847 31.140 29.460 -0.278 0.000 1.405 225 W HN 0.678 nan 8.180 nan 0.000 0.493 226 S N 4.003 119.453 115.700 -0.416 0.000 2.411 226 S HA 0.162 4.633 4.470 0.001 0.000 0.294 226 S C 0.240 174.735 174.600 -0.175 0.000 1.115 226 S CA -0.425 57.600 58.200 -0.293 0.000 1.071 226 S CB 0.707 63.774 63.200 -0.221 0.000 0.967 226 S HN 0.427 nan 8.310 nan 0.000 0.488 227 Y N 3.443 123.768 120.300 0.041 0.000 2.242 227 Y HA 0.144 4.695 4.550 0.001 0.000 0.291 227 Y C 2.303 178.191 175.900 -0.020 0.000 1.137 227 Y CA 0.221 58.365 58.100 0.074 0.000 1.181 227 Y CB -1.101 37.405 38.460 0.077 0.000 0.989 227 Y HN 1.002 nan 8.280 nan 0.000 0.527 228 G N 1.231 110.096 108.800 0.108 0.000 2.379 228 G HA2 -0.362 3.598 3.960 0.001 0.000 0.297 228 G HA3 -0.362 3.598 3.960 0.001 0.000 0.297 228 G C 1.203 176.090 174.900 -0.023 0.000 1.004 228 G CA 0.735 45.861 45.100 0.044 0.000 0.921 228 G HN 0.566 nan 8.290 nan 0.000 0.511 229 Q N -1.078 118.603 119.800 -0.198 0.000 2.364 229 Q HA -0.052 4.289 4.340 0.001 0.000 0.209 229 Q C 1.510 177.227 176.000 -0.472 0.000 0.977 229 Q CA 1.439 57.011 55.803 -0.386 0.000 0.885 229 Q CB -0.258 28.115 28.738 -0.608 0.000 0.941 229 Q HN 0.640 nan 8.270 nan 0.000 0.464 230 F N 1.201 121.122 119.950 -0.048 0.000 2.695 230 F HA 0.323 4.851 4.527 0.001 0.000 0.303 230 F C 0.795 176.635 175.800 0.067 0.000 1.091 230 F CA -0.563 57.376 58.000 -0.101 0.000 1.300 230 F CB 0.223 39.090 39.000 -0.221 0.000 1.071 230 F HN -0.134 nan 8.300 nan 0.000 0.578 231 E N 0.897 121.232 120.200 0.225 0.000 2.391 231 E HA -0.048 4.302 4.350 0.001 0.000 0.255 231 E C -0.439 176.267 176.600 0.177 0.000 1.187 231 E CA -0.144 56.396 56.400 0.233 0.000 0.941 231 E CB 0.426 30.245 29.700 0.199 0.000 1.010 231 E HN 0.056 nan 8.360 nan 0.000 0.458 232 D N -0.771 119.707 120.400 0.130 0.000 2.382 232 D HA 0.213 4.854 4.640 0.001 0.000 0.259 232 D C 0.911 177.249 176.300 0.064 0.000 1.224 232 D CA 1.343 55.386 54.000 0.071 0.000 0.894 232 D CB -0.005 40.796 40.800 0.002 0.000 1.127 232 D HN 0.536 nan 8.370 nan 0.000 0.487 233 G N 3.837 112.677 108.800 0.067 0.000 2.213 233 G HA2 -0.266 3.695 3.960 0.001 0.000 0.236 233 G HA3 -0.266 3.695 3.960 0.001 0.000 0.236 233 G C 1.123 176.072 174.900 0.082 0.000 0.991 233 G CA 0.230 45.366 45.100 0.059 0.000 0.629 233 G HN 0.492 nan 8.290 nan 0.000 0.517 234 I N 0.910 121.541 120.570 0.102 0.000 2.202 234 I HA -0.010 4.161 4.170 0.001 0.000 0.242 234 I C 2.829 179.023 176.117 0.128 0.000 1.091 234 I CA 1.365 62.735 61.300 0.117 0.000 1.368 234 I CB -1.376 36.688 38.000 0.107 0.000 1.058 234 I HN 0.354 nan 8.210 nan 0.000 0.410 235 L N 0.694 121.982 121.223 0.110 0.000 1.997 235 L HA -0.307 4.034 4.340 0.001 0.000 0.216 235 L C 2.380 179.320 176.870 0.117 0.000 1.074 235 L CA 1.937 56.813 54.840 0.060 0.000 0.763 235 L CB -0.437 41.544 42.059 -0.130 0.000 0.890 235 L HN 0.315 nan 8.230 nan 0.000 0.434 236 D N -1.066 119.414 120.400 0.133 0.000 2.123 236 D HA -0.172 4.469 4.640 0.001 0.000 0.196 236 D C 1.945 178.361 176.300 0.194 0.000 0.992 236 D CA 1.971 56.079 54.000 0.179 0.000 0.833 236 D CB 0.005 40.889 40.800 0.140 0.000 0.954 236 D HN 0.423 nan 8.370 nan 0.000 0.455 237 T N 0.507 115.171 114.554 0.182 0.000 2.746 237 T HA -0.146 4.205 4.350 0.001 0.000 0.267 237 T C 2.311 177.230 174.700 0.365 0.000 1.039 237 T CA 0.758 63.013 62.100 0.258 0.000 1.142 237 T CB -0.497 68.507 68.868 0.227 0.000 0.866 237 T HN 0.246 nan 8.240 nan 0.000 0.444 238 C N 1.138 120.625 119.300 0.312 0.000 2.413 238 C HA -0.000 4.461 4.460 0.001 0.000 0.276 238 C C 2.722 177.933 174.990 0.369 0.000 1.236 238 C CA 0.452 59.705 59.018 0.391 0.000 1.735 238 C CB -1.430 26.413 27.740 0.172 0.000 2.031 238 C HN 0.525 nan 8.230 nan 0.000 0.474 239 L N -0.569 120.809 121.223 0.258 0.000 2.093 239 L HA -0.166 4.175 4.340 0.001 0.000 0.208 239 L C 2.548 179.565 176.870 0.244 0.000 1.085 239 L CA 1.709 56.678 54.840 0.215 0.000 0.755 239 L CB -0.901 41.262 42.059 0.173 0.000 0.904 239 L HN 0.402 nan 8.230 nan 0.000 0.435 240 Y N 0.510 120.892 120.300 0.136 0.000 2.256 240 Y HA -0.214 4.337 4.550 0.001 0.000 0.288 240 Y C 2.324 178.307 175.900 0.140 0.000 1.155 240 Y CA 1.329 59.487 58.100 0.097 0.000 1.203 240 Y CB -0.348 38.144 38.460 0.054 0.000 0.980 240 Y HN -0.158 nan 8.280 nan 0.000 0.530 241 V N 0.697 120.726 119.914 0.191 0.000 2.427 241 V HA -0.352 3.769 4.120 0.001 0.000 0.248 241 V C 2.296 178.420 176.094 0.051 0.000 1.051 241 V CA 2.329 64.702 62.300 0.122 0.000 1.048 241 V CB -0.560 31.422 31.823 0.265 0.000 0.666 241 V HN 0.490 nan 8.190 nan 0.000 0.456 242 M N -0.751 118.937 119.600 0.146 0.000 2.394 242 M HA -0.090 4.390 4.480 0.001 0.000 0.264 242 M C 1.689 178.002 176.300 0.022 0.000 1.073 242 M CA 1.199 56.567 55.300 0.114 0.000 1.111 242 M CB -0.501 32.206 32.600 0.179 0.000 1.401 242 M HN 0.296 nan 8.290 nan 0.000 0.448 243 D N 0.433 120.820 120.400 -0.022 0.000 2.103 243 D HA -0.060 4.581 4.640 0.001 0.000 0.199 243 D C 2.101 178.325 176.300 -0.128 0.000 0.978 243 D CA 0.922 54.887 54.000 -0.058 0.000 0.829 243 D CB -0.200 40.581 40.800 -0.032 0.000 0.981 243 D HN 0.090 nan 8.370 nan 0.000 0.464 244 R N 0.622 120.960 120.500 -0.270 0.000 2.193 244 R HA 0.036 4.377 4.340 0.001 0.000 0.229 244 R C 1.475 177.715 176.300 -0.102 0.000 1.110 244 R CA 0.567 56.525 56.100 -0.237 0.000 0.988 244 R CB -0.457 29.643 30.300 -0.334 0.000 0.871 244 R HN 0.095 nan 8.270 nan 0.000 0.458 245 A N 0.660 123.437 122.820 -0.072 0.000 2.307 245 A HA 0.040 4.360 4.320 0.001 0.000 0.218 245 A C 0.217 177.783 177.584 -0.030 0.000 1.228 245 A CA -0.198 51.812 52.037 -0.045 0.000 0.857 245 A CB 0.122 19.099 19.000 -0.039 0.000 0.897 245 A HN 0.256 nan 8.150 nan 0.000 0.495 246 Q N -1.309 118.475 119.800 -0.026 0.000 2.453 246 Q HA -0.227 4.114 4.340 0.001 0.000 0.294 246 Q C 0.017 176.017 176.000 0.001 0.000 1.295 246 Q CA 1.125 56.922 55.803 -0.011 0.000 0.853 246 Q CB -1.921 26.811 28.738 -0.011 0.000 1.193 246 Q HN 0.811 nan 8.270 nan 0.000 0.461 247 M N 1.682 121.287 119.600 0.009 0.000 2.266 247 M HA 0.072 4.553 4.480 0.001 0.000 0.340 247 M C 0.035 176.352 176.300 0.029 0.000 1.486 247 M CA 0.015 55.329 55.300 0.023 0.000 1.209 247 M CB 0.217 32.844 32.600 0.046 0.000 1.714 247 M HN 0.101 nan 8.290 nan 0.000 0.459 248 D N 3.955 124.371 120.400 0.026 0.000 2.662 248 D HA -0.118 4.523 4.640 0.001 0.000 0.233 248 D C 0.902 177.224 176.300 0.036 0.000 1.129 248 D CA 0.422 54.440 54.000 0.031 0.000 0.851 248 D CB 0.586 41.403 40.800 0.029 0.000 1.152 248 D HN 0.666 nan 8.370 nan 0.000 0.507 249 L N 2.728 123.968 121.223 0.028 0.000 2.187 249 L HA -0.171 4.170 4.340 0.001 0.000 0.213 249 L C 2.227 179.120 176.870 0.037 0.000 1.100 249 L CA 0.795 55.644 54.840 0.016 0.000 0.765 249 L CB -0.313 41.734 42.059 -0.021 0.000 0.904 249 L HN 0.377 nan 8.230 nan 0.000 0.437 250 S N -0.184 115.546 115.700 0.051 0.000 2.555 250 S HA -0.020 4.451 4.470 0.001 0.000 0.230 250 S C 1.897 176.542 174.600 0.074 0.000 0.978 250 S CA 0.861 59.102 58.200 0.068 0.000 0.934 250 S CB -0.045 63.194 63.200 0.066 0.000 0.766 250 S HN 0.623 nan 8.310 nan 0.000 0.533 251 G N 1.388 110.229 108.800 0.069 0.000 2.595 251 G HA2 -0.024 3.937 3.960 0.001 0.000 0.213 251 G HA3 -0.024 3.937 3.960 0.001 0.000 0.213 251 G C 1.210 176.174 174.900 0.106 0.000 1.141 251 G CA -0.379 44.769 45.100 0.080 0.000 0.806 251 G HN 0.372 nan 8.290 nan 0.000 0.530 252 R N 0.571 121.129 120.500 0.097 0.000 2.397 252 R HA -0.004 4.337 4.340 0.001 0.000 0.213 252 R C 2.128 178.490 176.300 0.104 0.000 1.102 252 R CA 0.538 56.704 56.100 0.109 0.000 1.040 252 R CB -0.037 30.299 30.300 0.060 0.000 0.844 252 R HN 0.321 nan 8.270 nan 0.000 0.478 253 G N -0.259 108.616 108.800 0.125 0.000 3.020 253 G HA2 -0.090 3.871 3.960 0.001 0.000 0.217 253 G HA3 -0.090 3.871 3.960 0.001 0.000 0.217 253 G C 0.151 175.219 174.900 0.279 0.000 1.144 253 G CA -0.342 44.840 45.100 0.137 0.000 0.760 253 G HN 0.091 nan 8.290 nan 0.000 0.548 254 N N 0.986 119.833 118.700 0.244 0.000 2.439 254 N HA 0.286 5.027 4.740 0.001 0.000 0.249 254 N C -1.803 173.828 175.510 0.202 0.000 1.003 254 N CA -2.081 51.087 53.050 0.197 0.000 0.942 254 N CB 2.362 40.923 38.487 0.123 0.000 1.115 254 N HN -0.155 nan 8.380 nan 0.000 0.505 255 P HA -0.028 nan 4.420 nan 0.000 0.220 255 P C 1.350 178.631 177.300 -0.031 0.000 1.148 255 P CA 0.873 63.910 63.100 -0.106 0.000 0.803 255 P CB 0.533 32.050 31.700 -0.306 0.000 0.782 256 I N -0.183 120.387 120.570 0.000 0.000 2.094 256 I HA -0.239 3.932 4.170 0.001 0.000 0.234 256 I C 2.512 178.605 176.117 -0.039 0.000 1.063 256 I CA 1.515 62.804 61.300 -0.018 0.000 1.328 256 I CB -0.635 37.379 38.000 0.023 0.000 1.058 256 I HN -0.122 nan 8.210 nan 0.000 0.400 257 K N 0.954 121.353 120.400 -0.002 0.000 2.074 257 K HA -0.190 4.131 4.320 0.001 0.000 0.209 257 K C 2.079 178.715 176.600 0.061 0.000 1.048 257 K CA 1.582 57.868 56.287 -0.001 0.000 0.926 257 K CB -0.083 32.440 32.500 0.037 0.000 0.713 257 K HN 0.091 nan 8.250 nan 0.000 0.444 258 V N 1.137 121.135 119.914 0.140 0.000 2.287 258 V HA -0.292 3.829 4.120 0.001 0.000 0.248 258 V C 2.355 178.624 176.094 0.293 0.000 1.053 258 V CA 2.293 64.739 62.300 0.243 0.000 1.027 258 V CB -0.536 31.476 31.823 0.315 0.000 0.646 258 V HN 0.589 nan 8.190 nan 0.000 0.447 259 S N 0.058 115.898 115.700 0.233 0.000 2.428 259 S HA -0.184 4.287 4.470 0.001 0.000 0.230 259 S C 1.944 176.653 174.600 0.182 0.000 1.014 259 S CA 1.169 59.579 58.200 0.350 0.000 0.957 259 S CB -0.313 63.057 63.200 0.283 0.000 0.784 259 S HN 0.493 nan 8.310 nan 0.000 0.499 260 R N 1.724 122.218 120.500 -0.009 0.000 2.061 260 R HA 0.083 4.424 4.340 0.001 0.000 0.230 260 R C 2.080 178.299 176.300 -0.135 0.000 1.140 260 R CA 1.955 57.950 56.100 -0.174 0.000 0.940 260 R CB -1.178 28.926 30.300 -0.327 0.000 0.839 260 R HN 0.312 nan 8.270 nan 0.000 0.429 261 V N 0.318 120.189 119.914 -0.073 0.000 2.515 261 V HA -0.030 4.091 4.120 0.001 0.000 0.250 261 V C 2.245 178.296 176.094 -0.072 0.000 1.058 261 V CA 1.824 64.081 62.300 -0.071 0.000 1.064 261 V CB -0.936 30.874 31.823 -0.022 0.000 0.675 261 V HN 0.645 nan 8.190 nan 0.000 0.461 262 G N 0.709 109.517 108.800 0.014 0.000 2.402 262 G HA2 -0.241 3.720 3.960 0.001 0.000 0.216 262 G HA3 -0.241 3.720 3.960 0.001 0.000 0.216 262 G C 1.853 176.595 174.900 -0.263 0.000 1.162 262 G CA 1.256 46.307 45.100 -0.081 0.000 0.777 262 G HN 0.640 nan 8.290 nan 0.000 0.539 263 S N 1.116 116.594 115.700 -0.370 0.000 2.402 263 S HA 0.198 4.669 4.470 0.001 0.000 0.229 263 S C 2.531 176.836 174.600 -0.492 0.000 1.021 263 S CA 1.267 58.961 58.200 -0.844 0.000 0.974 263 S CB -0.346 62.317 63.200 -0.896 0.000 0.800 263 S HN 0.533 nan 8.310 nan 0.000 0.484 264 A N 1.508 124.136 122.820 -0.319 0.000 2.067 264 A HA 0.199 4.520 4.320 0.001 0.000 0.219 264 A C 2.164 179.613 177.584 -0.225 0.000 1.158 264 A CA 1.121 53.017 52.037 -0.235 0.000 0.661 264 A CB -0.568 18.309 19.000 -0.205 0.000 0.801 264 A HN 0.482 nan 8.150 nan 0.000 0.452 265 M N -0.603 118.845 119.600 -0.255 0.000 2.492 265 M HA -0.012 4.469 4.480 0.001 0.000 0.262 265 M C 1.979 178.099 176.300 -0.299 0.000 1.090 265 M CA 0.744 55.901 55.300 -0.239 0.000 1.110 265 M CB -0.693 31.769 32.600 -0.229 0.000 1.407 265 M HN 0.264 nan 8.290 nan 0.000 0.470 266 V N 0.767 120.463 119.914 -0.362 0.000 2.261 266 V HA -0.210 3.910 4.120 0.001 0.000 0.246 266 V C 1.086 176.905 176.094 -0.459 0.000 1.047 266 V CA 1.286 63.352 62.300 -0.389 0.000 1.015 266 V CB -0.825 30.751 31.823 -0.412 0.000 0.642 266 V HN 0.477 nan 8.190 nan 0.000 0.446 267 N N 0.858 119.239 118.700 -0.532 0.000 2.406 267 N HA 0.365 5.106 4.740 0.001 0.000 0.251 267 N C -0.174 175.204 175.510 -0.220 0.000 1.069 267 N CA 0.213 52.962 53.050 -0.502 0.000 0.947 267 N CB 0.858 39.038 38.487 -0.512 0.000 1.111 267 N HN 0.393 nan 8.380 nan 0.000 0.497 268 A N 4.241 126.980 122.820 -0.135 0.000 2.496 268 A HA 0.016 4.337 4.320 0.001 0.000 0.278 268 A C 0.730 178.313 177.584 -0.001 0.000 1.137 268 A CA -0.069 51.936 52.037 -0.053 0.000 0.805 268 A CB -0.223 18.768 19.000 -0.015 0.000 1.077 268 A HN 0.764 nan 8.150 nan 0.000 0.513 269 K N 3.745 124.144 120.400 -0.003 0.000 3.001 269 K HA 0.187 4.508 4.320 0.001 0.000 0.257 269 K C -0.637 175.981 176.600 0.031 0.000 1.290 269 K CA 0.423 56.722 56.287 0.020 0.000 1.252 269 K CB -0.664 31.852 32.500 0.028 0.000 1.656 269 K HN 0.977 nan 8.250 nan 0.000 0.351 270 D N 0.333 120.759 120.400 0.043 0.000 10.050 270 D HA -0.225 4.416 4.640 0.001 0.000 0.307 270 D C 0.158 176.485 176.300 0.045 0.000 2.837 270 D CA 1.164 55.193 54.000 0.049 0.000 2.563 270 D CB -0.597 40.231 40.800 0.047 0.000 1.087 270 D HN 0.585 nan 8.370 nan 0.000 0.825 271 D N 0.641 121.074 120.400 0.054 0.000 2.738 271 D HA -0.389 4.252 4.640 0.001 0.000 0.165 271 D C 0.854 177.196 176.300 0.070 0.000 1.678 271 D CA 2.606 56.642 54.000 0.060 0.000 1.656 271 D CB -0.655 40.174 40.800 0.047 0.000 1.299 271 D HN 0.563 nan 8.370 nan 0.000 0.419 272 E N 0.613 120.843 120.200 0.049 0.000 2.040 272 E HA 0.278 4.629 4.350 0.001 0.000 0.205 272 E C 1.595 178.211 176.600 0.027 0.000 0.936 272 E CA 0.839 57.264 56.400 0.042 0.000 0.900 272 E CB -1.246 28.460 29.700 0.012 0.000 0.889 272 E HN 0.427 nan 8.360 nan 0.000 0.503 273 G N 0.817 109.591 108.800 -0.045 0.000 3.168 273 G HA2 -0.054 3.907 3.960 0.001 0.000 0.238 273 G HA3 -0.054 3.907 3.960 0.001 0.000 0.238 273 G C 1.181 175.924 174.900 -0.262 0.000 1.256 273 G CA 0.404 45.417 45.100 -0.146 0.000 0.872 273 G HN 0.099 nan 8.290 nan 0.000 0.609 274 V N 0.728 120.363 119.914 -0.465 0.000 2.453 274 V HA 0.068 4.189 4.120 0.001 0.000 0.247 274 V C 1.172 177.059 176.094 -0.345 0.000 1.048 274 V CA 1.320 63.176 62.300 -0.741 0.000 1.049 274 V CB -0.744 30.679 31.823 -0.667 0.000 0.672 274 V HN 0.364 nan 8.190 nan 0.000 0.457 275 L N -0.932 120.184 121.223 -0.178 0.000 2.388 275 L HA 0.512 4.853 4.340 0.001 0.000 0.264 275 L C -0.922 176.000 176.870 0.086 0.000 0.998 275 L CA -0.499 54.339 54.840 -0.002 0.000 0.817 275 L CB 2.546 44.699 42.059 0.156 0.000 1.338 275 L HN -0.205 nan 8.230 nan 0.000 0.414 276 V N 1.984 121.982 119.914 0.139 0.000 2.353 276 V HA 0.363 4.484 4.120 0.001 0.000 0.264 276 V C 0.798 177.112 176.094 0.367 0.000 1.049 276 V CA -0.553 61.877 62.300 0.217 0.000 0.896 276 V CB 0.882 32.813 31.823 0.181 0.000 1.025 276 V HN 0.846 nan 8.190 nan 0.000 0.475 277 G N 3.409 112.469 108.800 0.434 0.000 2.398 277 G HA2 0.410 4.371 3.960 0.001 0.000 0.246 277 G HA3 0.410 4.371 3.960 0.001 0.000 0.246 277 G C -0.094 174.973 174.900 0.279 0.000 1.289 277 G CA 0.027 45.365 45.100 0.396 0.000 0.869 277 G HN 0.737 nan 8.290 nan 0.000 0.543 278 S N 1.661 117.301 115.700 -0.099 0.000 2.566 278 S HA 0.511 4.982 4.470 0.001 0.000 0.273 278 S C -0.520 174.136 174.600 0.094 0.000 1.157 278 S CA -0.818 57.466 58.200 0.140 0.000 0.938 278 S CB 0.780 63.982 63.200 0.003 0.000 1.087 278 S HN 0.679 nan 8.310 nan 0.000 0.474 279 W N 3.125 124.458 121.300 0.055 0.000 2.407 279 W HA 0.171 4.832 4.660 0.001 0.000 0.370 279 W C 0.068 176.478 176.519 -0.181 0.000 0.928 279 W CA -0.668 56.680 57.345 0.004 0.000 2.005 279 W CB 0.007 29.369 29.460 -0.163 0.000 1.171 279 W HN 0.736 nan 8.180 nan 0.000 0.572 280 D N -0.558 119.782 120.400 -0.100 0.000 2.414 280 D HA -0.008 4.632 4.640 0.001 0.000 0.259 280 D C 0.616 176.710 176.300 -0.344 0.000 1.269 280 D CA -0.037 53.830 54.000 -0.222 0.000 1.028 280 D CB 0.467 41.097 40.800 -0.283 0.000 1.093 280 D HN -0.268 nan 8.370 nan 0.000 0.545 281 N N -1.783 116.771 118.700 -0.243 0.000 2.205 281 N HA 0.172 4.913 4.740 0.001 0.000 0.201 281 N C 0.544 175.807 175.510 -0.412 0.000 1.128 281 N CA 0.013 52.929 53.050 -0.223 0.000 0.867 281 N CB 0.130 38.641 38.487 0.040 0.000 0.996 281 N HN 0.412 nan 8.380 nan 0.000 0.503 282 I N -0.586 119.652 120.570 -0.553 0.000 2.405 282 I HA 0.084 4.255 4.170 0.001 0.000 0.236 282 I C -0.194 175.738 176.117 -0.308 0.000 1.071 282 I CA 0.470 61.566 61.300 -0.339 0.000 1.398 282 I CB -0.458 37.405 38.000 -0.229 0.000 1.162 282 I HN -0.047 nan 8.210 nan 0.000 0.432 283 Y N 0.310 120.479 120.300 -0.218 0.000 3.027 283 Y HA -0.117 4.433 4.550 0.001 0.000 0.146 283 Y C 1.344 177.195 175.900 -0.081 0.000 1.924 283 Y CA -0.113 57.790 58.100 -0.328 0.000 1.039 283 Y CB -2.119 36.205 38.460 -0.228 0.000 1.555 283 Y HN 0.239 nan 8.280 nan 0.000 0.371 284 A N 0.068 122.841 122.820 -0.078 0.000 1.841 284 A HA -0.152 4.169 4.320 0.001 0.000 0.216 284 A C 0.896 178.258 177.584 -0.371 0.000 1.199 284 A CA 2.045 53.886 52.037 -0.326 0.000 0.621 284 A CB -0.408 18.219 19.000 -0.622 0.000 0.835 284 A HN 0.550 nan 8.150 nan 0.000 0.445 285 Y N -0.275 120.209 120.300 0.307 0.000 2.813 285 Y HA 0.520 5.070 4.550 0.001 0.000 0.378 285 Y C 0.884 176.875 175.900 0.153 0.000 1.023 285 Y CA -0.313 57.906 58.100 0.198 0.000 1.567 285 Y CB 0.058 38.601 38.460 0.138 0.000 1.492 285 Y HN 0.451 nan 8.280 nan 0.000 0.533 286 G N -1.250 107.734 108.800 0.307 0.000 2.554 286 G HA2 0.465 4.425 3.960 0.001 0.000 0.306 286 G HA3 0.465 4.425 3.960 0.001 0.000 0.306 286 G C -1.934 173.036 174.900 0.116 0.000 1.320 286 G CA -0.730 44.442 45.100 0.120 0.000 0.800 286 G HN -0.144 nan 8.290 nan 0.000 0.481 287 V N 2.077 121.965 119.914 -0.042 0.000 2.407 287 V HA 0.389 4.510 4.120 0.001 0.000 0.278 287 V C -1.970 173.900 176.094 -0.374 0.000 1.037 287 V CA -1.243 60.830 62.300 -0.378 0.000 0.900 287 V CB 1.673 32.933 31.823 -0.939 0.000 0.983 287 V HN 0.467 nan 8.190 nan 0.000 0.459 288 P HA 0.115 nan 4.420 nan 0.000 0.264 288 P C -2.088 174.837 177.300 -0.624 0.000 1.193 288 P CA -0.904 61.799 63.100 -0.662 0.000 0.763 288 P CB 0.232 31.691 31.700 -0.401 0.000 0.810 289 P HA -0.147 nan 4.420 nan 0.000 0.222 289 P C 0.871 178.277 177.300 0.176 0.000 1.142 289 P CA 1.586 64.558 63.100 -0.213 0.000 0.788 289 P CB -0.057 31.366 31.700 -0.462 0.000 0.767 290 S N -1.529 114.267 115.700 0.160 0.000 2.527 290 S HA 0.117 4.588 4.470 0.001 0.000 0.222 290 S C 1.808 176.517 174.600 0.181 0.000 0.985 290 S CA 0.672 59.110 58.200 0.396 0.000 0.921 290 S CB -0.340 63.071 63.200 0.351 0.000 0.772 290 S HN 0.152 nan 8.310 nan 0.000 0.529 291 A N 0.504 123.222 122.820 -0.170 0.000 2.030 291 A HA 0.141 4.462 4.320 0.001 0.000 0.215 291 A C 0.362 177.773 177.584 -0.289 0.000 1.164 291 A CA -0.322 51.458 52.037 -0.428 0.000 0.697 291 A CB -0.466 18.071 19.000 -0.772 0.000 0.827 291 A HN 0.575 nan 8.150 nan 0.000 0.457 292 W N 1.342 122.654 121.300 0.021 0.000 2.385 292 W HA 0.139 4.800 4.660 0.001 0.000 0.336 292 W C 1.514 177.990 176.519 -0.072 0.000 1.351 292 W CA 0.334 57.688 57.345 0.015 0.000 1.295 292 W CB 0.455 29.989 29.460 0.124 0.000 1.239 292 W HN 0.341 nan 8.180 nan 0.000 0.565 293 T N 0.591 115.193 114.554 0.079 0.000 3.051 293 T HA 0.433 4.783 4.350 0.001 0.000 0.255 293 T C 0.750 175.001 174.700 -0.748 0.000 1.085 293 T CA 0.499 62.502 62.100 -0.161 0.000 1.109 293 T CB 0.323 69.204 68.868 0.021 0.000 0.921 293 T HN 0.585 nan 8.240 nan 0.000 0.488 294 G N -0.009 108.175 108.800 -1.028 0.000 2.430 294 G HA2 0.431 4.391 3.960 0.001 0.000 0.300 294 G HA3 0.431 4.391 3.960 0.001 0.000 0.300 294 G C 0.165 174.579 174.900 -0.809 0.000 1.330 294 G CA -0.014 44.193 45.100 -1.488 0.000 0.813 294 G HN -0.039 nan 8.290 nan 0.000 0.487 295 S N -0.829 114.630 115.700 -0.403 0.000 2.395 295 S HA -0.038 4.433 4.470 0.001 0.000 0.225 295 S C 2.574 177.116 174.600 -0.097 0.000 1.027 295 S CA 1.247 59.396 58.200 -0.086 0.000 0.965 295 S CB -0.256 63.037 63.200 0.155 0.000 0.812 295 S HN 0.582 nan 8.310 nan 0.000 0.482 296 V N 3.151 123.023 119.914 -0.069 0.000 2.226 296 V HA -0.346 3.775 4.120 0.001 0.000 0.254 296 V C 2.454 178.531 176.094 -0.027 0.000 1.065 296 V CA 2.336 64.627 62.300 -0.014 0.000 1.039 296 V CB -0.912 30.912 31.823 0.001 0.000 0.653 296 V HN 0.407 nan 8.190 nan 0.000 0.450 297 D N -0.152 120.216 120.400 -0.054 0.000 2.268 297 D HA -0.228 4.412 4.640 0.001 0.000 0.189 297 D C 1.931 178.173 176.300 -0.097 0.000 1.010 297 D CA 2.485 56.470 54.000 -0.024 0.000 0.862 297 D CB -0.227 40.573 40.800 -0.001 0.000 0.943 297 D HN 0.517 nan 8.370 nan 0.000 0.451 298 I N 0.093 120.498 120.570 -0.275 0.000 2.286 298 I HA -0.208 3.963 4.170 0.001 0.000 0.245 298 I C 2.679 178.744 176.117 -0.087 0.000 1.104 298 I CA 0.415 61.510 61.300 -0.341 0.000 1.397 298 I CB -0.261 37.397 38.000 -0.569 0.000 1.072 298 I HN 0.033 nan 8.210 nan 0.000 0.417 299 L N 0.521 121.738 121.223 -0.010 0.000 2.027 299 L HA -0.198 4.142 4.340 0.001 0.000 0.206 299 L C 2.621 179.576 176.870 0.141 0.000 1.074 299 L CA 1.384 56.297 54.840 0.121 0.000 0.745 299 L CB -0.482 41.660 42.059 0.138 0.000 0.898 299 L HN 0.251 nan 8.230 nan 0.000 0.433 300 L N -0.800 120.465 121.223 0.071 0.000 2.042 300 L HA -0.210 4.131 4.340 0.001 0.000 0.210 300 L C 2.731 179.625 176.870 0.040 0.000 1.076 300 L CA 1.017 55.883 54.840 0.044 0.000 0.749 300 L CB -0.607 41.470 42.059 0.031 0.000 0.893 300 L HN 0.274 nan 8.230 nan 0.000 0.432 301 E N -0.298 119.934 120.200 0.053 0.000 2.085 301 E HA -0.257 4.094 4.350 0.001 0.000 0.194 301 E C 1.985 178.655 176.600 0.117 0.000 0.994 301 E CA 1.376 57.815 56.400 0.065 0.000 0.801 301 E CB -0.260 29.473 29.700 0.056 0.000 0.743 301 E HN 0.443 nan 8.360 nan 0.000 0.453 302 Y N 1.738 122.040 120.300 0.003 0.000 2.070 302 Y HA -0.261 4.290 4.550 0.001 0.000 0.280 302 Y C 2.567 178.504 175.900 0.062 0.000 1.148 302 Y CA 2.436 60.564 58.100 0.045 0.000 1.125 302 Y CB -0.743 37.761 38.460 0.073 0.000 0.975 302 Y HN -0.057 nan 8.280 nan 0.000 0.492 303 R N 0.330 120.762 120.500 -0.114 0.000 2.112 303 R HA -0.188 4.153 4.340 0.001 0.000 0.242 303 R C 2.341 178.447 176.300 -0.322 0.000 1.137 303 R CA 2.485 58.353 56.100 -0.386 0.000 0.944 303 R CB -0.934 29.215 30.300 -0.252 0.000 0.857 303 R HN 0.410 nan 8.270 nan 0.000 0.435 304 S N -0.521 115.087 115.700 -0.154 0.000 2.383 304 S HA -0.128 4.343 4.470 0.001 0.000 0.227 304 S C 1.907 176.457 174.600 -0.083 0.000 1.026 304 S CA 1.349 59.483 58.200 -0.110 0.000 0.981 304 S CB -0.216 62.954 63.200 -0.051 0.000 0.818 304 S HN 0.662 nan 8.310 nan 0.000 0.472 305 S N 0.621 116.292 115.700 -0.048 0.000 2.458 305 S HA 0.102 4.573 4.470 0.001 0.000 0.223 305 S C 0.553 175.142 174.600 -0.018 0.000 1.019 305 S CA 0.410 58.603 58.200 -0.011 0.000 0.937 305 S CB -0.360 62.864 63.200 0.039 0.000 0.788 305 S HN 0.505 nan 8.310 nan 0.000 0.511 306 E N 0.579 120.729 120.200 -0.082 0.000 2.971 306 E HA -0.190 4.161 4.350 0.001 0.000 0.278 306 E C -0.491 176.138 176.600 0.049 0.000 1.009 306 E CA 0.574 56.929 56.400 -0.076 0.000 0.862 306 E CB -1.971 27.728 29.700 -0.002 0.000 1.436 306 E HN 0.742 nan 8.360 nan 0.000 0.434 307 N N -0.342 118.439 118.700 0.136 0.000 2.405 307 N HA 0.347 5.088 4.740 0.001 0.000 0.285 307 N C -2.888 172.804 175.510 0.303 0.000 1.262 307 N CA -2.166 51.002 53.050 0.197 0.000 0.773 307 N CB 2.248 40.800 38.487 0.108 0.000 1.490 307 N HN -0.249 nan 8.380 nan 0.000 0.486 308 P HA -0.006 nan 4.420 nan 0.000 0.266 308 P C -0.822 176.525 177.300 0.077 0.000 1.195 308 P CA 0.026 63.188 63.100 0.103 0.000 0.768 308 P CB 0.622 32.354 31.700 0.052 0.000 0.838 309 V N 5.216 125.148 119.914 0.029 0.000 2.461 309 V HA 0.184 4.304 4.120 0.001 0.000 0.275 309 V C 1.010 177.093 176.094 -0.018 0.000 1.047 309 V CA -0.254 62.058 62.300 0.020 0.000 0.955 309 V CB 0.449 32.247 31.823 -0.042 0.000 0.988 309 V HN 0.433 nan 8.190 nan 0.000 0.471 310 R N 4.533 124.981 120.500 -0.087 0.000 2.296 310 R HA 0.380 4.721 4.340 0.001 0.000 0.323 310 R C -1.442 174.654 176.300 -0.339 0.000 1.067 310 R CA -0.245 55.586 56.100 -0.449 0.000 0.946 310 R CB 0.092 29.860 30.300 -0.887 0.000 0.991 310 R HN 0.691 nan 8.270 nan 0.000 0.448 311 Y N -1.301 119.114 120.300 0.191 0.000 2.688 311 Y HA -0.133 4.417 4.550 0.001 0.000 0.027 311 Y C 0.164 176.123 175.900 0.099 0.000 1.920 311 Y CA 0.220 58.380 58.100 0.100 0.000 1.290 311 Y CB -1.649 36.815 38.460 0.007 0.000 1.952 311 Y HN 0.885 nan 8.280 nan 0.000 0.277 312 G N 2.105 110.898 108.800 -0.012 0.000 2.718 312 G HA2 0.722 4.682 3.960 0.001 0.000 0.295 312 G HA3 0.722 4.682 3.960 0.001 0.000 0.295 312 G C -1.178 173.057 174.900 -1.108 0.000 1.421 312 G CA -0.924 43.911 45.100 -0.441 0.000 0.902 312 G HN 0.448 nan 8.290 nan 0.000 0.501 313 Q N -0.936 117.959 119.800 -1.509 0.000 3.156 313 Q HA 0.311 4.652 4.340 0.001 0.000 0.301 313 Q C 1.886 177.155 176.000 -1.220 0.000 1.026 313 Q CA -0.361 54.532 55.803 -1.517 0.000 0.827 313 Q CB 1.601 29.578 28.738 -1.269 0.000 1.490 313 Q HN 0.832 nan 8.270 nan 0.000 0.492 314 C N -0.964 118.225 119.300 -0.185 0.000 2.411 314 C HA -0.083 4.378 4.460 0.001 0.000 0.279 314 C C 2.081 177.053 174.990 -0.029 0.000 1.288 314 C CA 0.890 59.979 59.018 0.118 0.000 1.764 314 C CB -1.598 26.544 27.740 0.669 0.000 1.974 314 C HN 0.944 nan 8.230 nan 0.000 0.498 315 W N 1.744 122.961 121.300 -0.139 0.000 2.476 315 W HA 0.216 4.877 4.660 0.001 0.000 0.281 315 W C 1.816 178.066 176.519 -0.449 0.000 1.230 315 W CA 0.979 58.150 57.345 -0.289 0.000 1.287 315 W CB -1.064 28.190 29.460 -0.344 0.000 1.108 315 W HN 0.125 nan 8.180 nan 0.000 0.567 316 V N 1.499 120.820 119.914 -0.989 0.000 2.270 316 V HA -0.302 3.819 4.120 0.001 0.000 0.245 316 V C 2.339 178.330 176.094 -0.171 0.000 1.043 316 V CA 1.847 63.805 62.300 -0.570 0.000 1.014 316 V CB -1.258 30.221 31.823 -0.574 0.000 0.645 316 V HN 0.063 nan 8.190 nan 0.000 0.447 317 F N 1.199 121.044 119.950 -0.175 0.000 2.154 317 F HA -0.170 4.357 4.527 0.001 0.000 0.301 317 F C 2.433 178.243 175.800 0.018 0.000 1.087 317 F CA 1.120 59.079 58.000 -0.068 0.000 1.274 317 F CB -1.460 37.518 39.000 -0.038 0.000 1.009 317 F HN 0.151 nan 8.300 nan 0.000 0.485 318 A N -0.118 122.807 122.820 0.175 0.000 1.970 318 A HA 0.153 4.474 4.320 0.001 0.000 0.216 318 A C 2.582 180.237 177.584 0.118 0.000 1.170 318 A CA 1.243 53.381 52.037 0.168 0.000 0.645 318 A CB -1.370 17.681 19.000 0.084 0.000 0.816 318 A HN 0.371 nan 8.150 nan 0.000 0.447 319 G N -0.536 108.266 108.800 0.003 0.000 2.408 319 G HA2 -0.034 3.927 3.960 0.001 0.000 0.217 319 G HA3 -0.034 3.927 3.960 0.001 0.000 0.217 319 G C 1.454 176.636 174.900 0.471 0.000 1.150 319 G CA 1.238 46.443 45.100 0.174 0.000 0.776 319 G HN 0.274 nan 8.290 nan 0.000 0.542 320 V N 0.190 120.312 119.914 0.347 0.000 2.302 320 V HA -0.011 4.110 4.120 0.001 0.000 0.243 320 V C 2.276 178.534 176.094 0.273 0.000 1.036 320 V CA 1.361 63.826 62.300 0.276 0.000 1.020 320 V CB -0.631 31.295 31.823 0.171 0.000 0.657 320 V HN 0.324 nan 8.190 nan 0.000 0.453 321 F N 1.832 121.828 119.950 0.078 0.000 2.250 321 F HA -0.193 4.335 4.527 0.001 0.000 0.301 321 F C 2.064 177.942 175.800 0.130 0.000 1.077 321 F CA 1.876 59.911 58.000 0.059 0.000 1.348 321 F CB -0.535 38.481 39.000 0.026 0.000 1.040 321 F HN 0.219 nan 8.300 nan 0.000 0.509 322 N N -0.806 117.913 118.700 0.032 0.000 2.171 322 N HA -0.129 4.612 4.740 0.001 0.000 0.184 322 N C 1.744 177.113 175.510 -0.235 0.000 1.021 322 N CA 1.850 54.775 53.050 -0.209 0.000 0.854 322 N CB -0.347 37.966 38.487 -0.289 0.000 0.994 322 N HN 0.182 nan 8.380 nan 0.000 0.426 323 T N -0.187 114.331 114.554 -0.060 0.000 2.746 323 T HA -0.122 4.229 4.350 0.001 0.000 0.267 323 T C 1.513 176.241 174.700 0.045 0.000 1.039 323 T CA 1.099 63.202 62.100 0.005 0.000 1.142 323 T CB -0.487 68.473 68.868 0.155 0.000 0.866 323 T HN 0.312 nan 8.240 nan 0.000 0.444 324 F N 1.581 121.496 119.950 -0.058 0.000 2.075 324 F HA -0.032 4.496 4.527 0.001 0.000 0.297 324 F C 1.922 177.666 175.800 -0.093 0.000 1.113 324 F CA 1.199 59.181 58.000 -0.030 0.000 1.218 324 F CB -0.426 38.594 39.000 0.033 0.000 0.984 324 F HN 0.031 nan 8.300 nan 0.000 0.472 325 L N 0.090 121.269 121.223 -0.075 0.000 2.012 325 L HA -0.225 4.116 4.340 0.001 0.000 0.210 325 L C 2.728 179.501 176.870 -0.162 0.000 1.073 325 L CA 1.686 56.394 54.840 -0.220 0.000 0.748 325 L CB -0.701 41.171 42.059 -0.312 0.000 0.891 325 L HN 0.063 nan 8.230 nan 0.000 0.431 326 R N -1.044 119.372 120.500 -0.140 0.000 2.081 326 R HA -0.198 4.142 4.340 0.001 0.000 0.235 326 R C 2.508 178.775 176.300 -0.055 0.000 1.131 326 R CA 1.665 57.713 56.100 -0.086 0.000 0.960 326 R CB -0.818 29.400 30.300 -0.136 0.000 0.856 326 R HN 0.467 nan 8.270 nan 0.000 0.436 327 C N 0.786 120.027 119.300 -0.097 0.000 2.401 327 C HA -0.096 4.365 4.460 0.001 0.000 0.276 327 C C 2.231 177.279 174.990 0.097 0.000 1.233 327 C CA 0.898 59.905 59.018 -0.018 0.000 1.753 327 C CB -0.874 26.854 27.740 -0.019 0.000 2.029 327 C HN 0.444 nan 8.230 nan 0.000 0.478 328 L N 0.078 121.297 121.223 -0.006 0.000 2.509 328 L HA 0.246 4.587 4.340 0.001 0.000 0.222 328 L C 1.847 178.887 176.870 0.284 0.000 1.123 328 L CA 1.018 55.903 54.840 0.075 0.000 0.856 328 L CB -0.567 41.490 42.059 -0.002 0.000 0.985 328 L HN 0.590 nan 8.230 nan 0.000 0.456 329 G N 1.006 109.945 108.800 0.233 0.000 2.135 329 G HA2 -0.208 3.753 3.960 0.001 0.000 0.183 329 G HA3 -0.208 3.753 3.960 0.001 0.000 0.183 329 G C -0.017 174.972 174.900 0.149 0.000 1.004 329 G CA -0.525 44.747 45.100 0.287 0.000 0.677 329 G HN 0.233 nan 8.290 nan 0.000 0.512 330 I N 1.338 121.899 120.570 -0.014 0.000 2.312 330 I HA 0.299 4.470 4.170 0.001 0.000 0.290 330 I C -2.102 173.984 176.117 -0.051 0.000 1.008 330 I CA -2.502 58.708 61.300 -0.149 0.000 1.226 330 I CB 1.641 39.464 38.000 -0.296 0.000 1.371 330 I HN -0.170 nan 8.210 nan 0.000 0.468 331 P HA 0.065 nan 4.420 nan 0.000 0.261 331 P C -0.656 176.710 177.300 0.110 0.000 1.183 331 P CA 0.310 63.424 63.100 0.023 0.000 0.761 331 P CB 0.594 32.215 31.700 -0.132 0.000 0.785 332 A N 3.877 126.800 122.820 0.171 0.000 2.609 332 A HA 0.901 5.222 4.320 0.001 0.000 0.291 332 A C -1.025 176.615 177.584 0.094 0.000 1.096 332 A CA -0.733 51.413 52.037 0.182 0.000 0.684 332 A CB 1.805 20.799 19.000 -0.009 0.000 1.282 332 A HN 0.629 nan 8.150 nan 0.000 0.412 333 R N 0.516 121.008 120.500 -0.014 0.000 2.604 333 R HA 0.626 4.967 4.340 0.001 0.000 0.261 333 R C -1.655 174.589 176.300 -0.094 0.000 1.080 333 R CA -0.742 55.307 56.100 -0.085 0.000 0.917 333 R CB 0.686 30.829 30.300 -0.262 0.000 1.252 333 R HN 0.521 nan 8.270 nan 0.000 0.456 334 I N 2.045 122.595 120.570 -0.034 0.000 2.638 334 I HA 0.306 4.477 4.170 0.001 0.000 0.286 334 I C -0.272 175.755 176.117 -0.149 0.000 1.088 334 I CA -0.885 60.377 61.300 -0.063 0.000 1.397 334 I CB 1.563 39.548 38.000 -0.026 0.000 1.414 334 I HN 0.301 nan 8.210 nan 0.000 0.566 335 V N 4.526 124.273 119.914 -0.279 0.000 2.623 335 V HA 0.315 4.436 4.120 0.001 0.000 0.304 335 V C -0.316 175.417 176.094 -0.603 0.000 1.054 335 V CA -0.431 61.608 62.300 -0.436 0.000 0.882 335 V CB 2.335 33.804 31.823 -0.590 0.000 1.002 335 V HN 0.775 nan 8.190 nan 0.000 0.424 336 T N 4.871 119.150 114.554 -0.457 0.000 2.794 336 T HA 0.367 4.718 4.350 0.001 0.000 0.280 336 T C -0.267 174.063 174.700 -0.616 0.000 0.987 336 T CA -0.377 61.427 62.100 -0.493 0.000 0.993 336 T CB 0.826 69.472 68.868 -0.370 0.000 0.939 336 T HN 0.715 nan 8.240 nan 0.000 0.449 337 N N 2.160 120.482 118.700 -0.629 0.000 2.400 337 N HA 0.299 5.040 4.740 0.001 0.000 0.288 337 N C -1.383 173.938 175.510 -0.314 0.000 1.024 337 N CA -0.521 52.274 53.050 -0.424 0.000 0.894 337 N CB 0.874 39.202 38.487 -0.265 0.000 1.173 337 N HN 0.431 nan 8.380 nan 0.000 0.487 338 Y N 3.654 123.919 120.300 -0.058 0.000 2.327 338 Y HA 0.332 4.883 4.550 0.001 0.000 0.336 338 Y C -0.454 175.412 175.900 -0.057 0.000 1.035 338 Y CA -0.122 57.905 58.100 -0.122 0.000 1.165 338 Y CB 0.300 38.619 38.460 -0.236 0.000 1.181 338 Y HN 0.453 nan 8.280 nan 0.000 0.494 339 F N 1.114 121.185 119.950 0.202 0.000 2.257 339 F HA -0.228 4.299 4.527 0.001 0.000 0.431 339 F C 0.083 175.932 175.800 0.083 0.000 1.182 339 F CA -0.165 57.881 58.000 0.076 0.000 1.412 339 F CB -1.519 37.365 39.000 -0.194 0.000 2.156 339 F HN 0.339 nan 8.300 nan 0.000 0.758 340 S N 1.174 117.065 115.700 0.319 0.000 2.475 340 S HA 0.830 5.300 4.470 0.001 0.000 0.298 340 S C 0.203 174.861 174.600 0.096 0.000 1.119 340 S CA -0.070 58.237 58.200 0.178 0.000 1.085 340 S CB 1.670 64.938 63.200 0.114 0.000 1.028 340 S HN 0.744 nan 8.310 nan 0.000 0.489 341 A N 3.300 126.148 122.820 0.048 0.000 3.095 341 A HA 0.379 4.700 4.320 0.001 0.000 0.301 341 A C -0.153 177.403 177.584 -0.048 0.000 1.432 341 A CA -0.244 51.810 52.037 0.027 0.000 1.140 341 A CB -0.515 18.513 19.000 0.046 0.000 1.174 341 A HN 0.860 nan 8.150 nan 0.000 0.546 342 H N 0.888 119.736 119.070 -0.371 0.000 2.597 342 H HA 0.233 4.790 4.556 0.001 0.000 0.370 342 H C 0.274 175.477 175.328 -0.208 0.000 1.281 342 H CA 0.322 56.085 56.048 -0.475 0.000 1.422 342 H CB 0.587 29.700 29.762 -1.081 0.000 1.524 342 H HN 0.665 nan 8.280 nan 0.000 0.607 343 D N 0.495 120.573 120.400 -0.537 0.000 2.772 343 D HA -0.235 4.406 4.640 0.001 0.000 0.233 343 D C 0.498 176.731 176.300 -0.110 0.000 1.143 343 D CA 1.124 54.942 54.000 -0.303 0.000 0.700 343 D CB -1.539 39.148 40.800 -0.188 0.000 1.076 343 D HN 0.779 nan 8.370 nan 0.000 0.430 344 N N 0.185 118.852 118.700 -0.055 0.000 2.463 344 N HA -0.049 4.691 4.740 0.001 0.000 0.181 344 N C 0.532 176.069 175.510 0.046 0.000 1.078 344 N CA 0.825 53.881 53.050 0.010 0.000 0.902 344 N CB 0.155 38.654 38.487 0.021 0.000 0.970 344 N HN 0.135 nan 8.380 nan 0.000 0.451 345 D N -0.822 119.659 120.400 0.136 0.000 2.792 345 D HA -0.295 4.346 4.640 0.001 0.000 0.231 345 D C 0.371 176.691 176.300 0.033 0.000 1.160 345 D CA 0.962 55.080 54.000 0.198 0.000 0.697 345 D CB -1.265 39.584 40.800 0.083 0.000 1.070 345 D HN 0.640 nan 8.370 nan 0.000 0.426 346 A N -1.436 121.282 122.820 -0.170 0.000 2.861 346 A HA -0.328 3.992 4.320 0.001 0.000 0.261 346 A C 0.439 177.927 177.584 -0.160 0.000 1.351 346 A CA 1.205 53.009 52.037 -0.387 0.000 0.904 346 A CB -1.530 17.038 19.000 -0.719 0.000 1.076 346 A HN 0.530 nan 8.150 nan 0.000 0.729 347 N N -0.301 118.358 118.700 -0.068 0.000 2.472 347 N HA 0.499 5.240 4.740 0.001 0.000 0.277 347 N C 0.531 176.038 175.510 -0.004 0.000 1.081 347 N CA -0.186 52.845 53.050 -0.033 0.000 0.973 347 N CB 0.971 39.449 38.487 -0.016 0.000 1.105 347 N HN 0.413 nan 8.380 nan 0.000 0.470 348 L N 1.870 123.101 121.223 0.014 0.000 2.783 348 L HA 0.194 4.535 4.340 0.001 0.000 0.236 348 L C 0.003 176.889 176.870 0.026 0.000 1.225 348 L CA 0.282 55.151 54.840 0.050 0.000 1.026 348 L CB -0.192 41.921 42.059 0.090 0.000 1.314 348 L HN 0.322 nan 8.230 nan 0.000 0.489 349 Q N 0.855 120.657 119.800 0.004 0.000 2.284 349 Q HA 0.475 4.816 4.340 0.001 0.000 0.269 349 Q C -1.161 174.818 176.000 -0.035 0.000 1.026 349 Q CA -0.360 55.432 55.803 -0.019 0.000 0.831 349 Q CB 3.435 32.155 28.738 -0.030 0.000 1.322 349 Q HN 0.099 nan 8.270 nan 0.000 0.419 350 M N 1.810 121.375 119.600 -0.058 0.000 2.436 350 M HA 0.458 4.939 4.480 0.001 0.000 0.331 350 M C -1.595 174.601 176.300 -0.173 0.000 1.135 350 M CA -0.282 54.974 55.300 -0.074 0.000 0.987 350 M CB 1.446 34.022 32.600 -0.040 0.000 1.687 350 M HN 0.417 nan 8.290 nan 0.000 0.445 351 D N 4.698 124.969 120.400 -0.215 0.000 2.278 351 D HA 0.502 5.143 4.640 0.001 0.000 0.245 351 D C -1.156 174.773 176.300 -0.619 0.000 1.052 351 D CA 0.054 53.778 54.000 -0.460 0.000 0.834 351 D CB 1.723 42.228 40.800 -0.492 0.000 1.194 351 D HN 0.473 nan 8.370 nan 0.000 0.481 352 I N 2.216 122.326 120.570 -0.767 0.000 2.406 352 I HA 0.312 4.482 4.170 0.001 0.000 0.290 352 I C -0.590 175.097 176.117 -0.717 0.000 0.999 352 I CA -0.566 60.379 61.300 -0.592 0.000 1.124 352 I CB 1.020 38.758 38.000 -0.436 0.000 1.289 352 I HN 0.116 nan 8.210 nan 0.000 0.441 353 F N 6.305 126.211 119.950 -0.074 0.000 2.421 353 F HA 0.593 5.121 4.527 0.001 0.000 0.337 353 F C -0.373 175.395 175.800 -0.053 0.000 1.105 353 F CA -0.806 57.173 58.000 -0.034 0.000 1.049 353 F CB 1.030 40.024 39.000 -0.009 0.000 1.139 353 F HN 0.065 nan 8.300 nan 0.000 0.479 354 L N 2.241 123.540 121.223 0.127 0.000 2.346 354 L HA 0.398 4.739 4.340 0.001 0.000 0.274 354 L C 0.106 176.989 176.870 0.021 0.000 1.007 354 L CA -1.166 53.686 54.840 0.019 0.000 0.818 354 L CB 1.477 43.537 42.059 0.002 0.000 1.284 354 L HN 0.596 nan 8.230 nan 0.000 0.424 355 E N 1.471 121.640 120.200 -0.052 0.000 2.392 355 E HA 0.083 4.434 4.350 0.001 0.000 0.256 355 E C 0.489 177.046 176.600 -0.071 0.000 1.145 355 E CA -0.300 56.063 56.400 -0.060 0.000 0.929 355 E CB 0.851 30.492 29.700 -0.100 0.000 0.998 355 E HN 0.533 nan 8.360 nan 0.000 0.442 356 E N 1.158 121.324 120.200 -0.057 0.000 2.114 356 E HA -0.239 4.112 4.350 0.001 0.000 0.199 356 E C 1.060 177.620 176.600 -0.066 0.000 1.008 356 E CA 1.459 57.830 56.400 -0.048 0.000 0.810 356 E CB -0.105 29.572 29.700 -0.039 0.000 0.739 356 E HN 0.501 nan 8.360 nan 0.000 0.456 357 D N -0.445 119.893 120.400 -0.104 0.000 2.379 357 D HA -0.050 4.591 4.640 0.001 0.000 0.243 357 D C 1.257 177.416 176.300 -0.235 0.000 1.088 357 D CA 0.890 54.813 54.000 -0.129 0.000 0.925 357 D CB -0.282 40.430 40.800 -0.147 0.000 0.888 357 D HN 0.316 nan 8.370 nan 0.000 0.529 358 G N -0.155 108.529 108.800 -0.192 0.000 2.212 358 G HA2 -0.344 3.617 3.960 0.001 0.000 0.266 358 G HA3 -0.344 3.617 3.960 0.001 0.000 0.266 358 G C 0.344 175.024 174.900 -0.367 0.000 0.978 358 G CA 0.166 45.158 45.100 -0.181 0.000 0.632 358 G HN 0.583 nan 8.290 nan 0.000 0.537 359 N N 0.163 118.490 118.700 -0.621 0.000 2.503 359 N HA 0.396 5.137 4.740 0.001 0.000 0.267 359 N C 0.648 175.979 175.510 -0.297 0.000 1.214 359 N CA -0.110 52.578 53.050 -0.602 0.000 0.959 359 N CB 1.166 39.267 38.487 -0.644 0.000 1.142 359 N HN 0.124 nan 8.380 nan 0.000 0.455 360 V N 3.160 122.917 119.914 -0.262 0.000 2.572 360 V HA -0.019 4.102 4.120 0.001 0.000 0.291 360 V C 0.814 176.814 176.094 -0.156 0.000 1.039 360 V CA -0.331 61.806 62.300 -0.273 0.000 1.055 360 V CB 0.388 31.901 31.823 -0.517 0.000 0.969 360 V HN 0.582 nan 8.190 nan 0.000 0.482 361 N N 3.695 122.347 118.700 -0.080 0.000 2.663 361 N HA 0.083 4.824 4.740 0.001 0.000 0.250 361 N C 1.161 176.683 175.510 0.020 0.000 1.129 361 N CA 0.213 53.258 53.050 -0.009 0.000 0.995 361 N CB 0.876 39.399 38.487 0.060 0.000 1.324 361 N HN 0.651 nan 8.380 nan 0.000 0.512 362 S N 2.314 118.018 115.700 0.006 0.000 2.440 362 S HA -0.070 4.401 4.470 0.001 0.000 0.238 362 S C 1.607 176.234 174.600 0.045 0.000 1.010 362 S CA 0.867 59.091 58.200 0.040 0.000 0.972 362 S CB 0.212 63.440 63.200 0.047 0.000 0.774 362 S HN 0.585 nan 8.310 nan 0.000 0.501 363 K N 0.372 120.786 120.400 0.023 0.000 2.228 363 K HA 0.141 4.462 4.320 0.001 0.000 0.202 363 K C 1.454 178.052 176.600 -0.003 0.000 1.051 363 K CA 0.730 57.022 56.287 0.007 0.000 0.960 363 K CB -0.015 32.477 32.500 -0.012 0.000 0.743 363 K HN 0.324 nan 8.250 nan 0.000 0.458 364 L N -0.168 121.059 121.223 0.008 0.000 2.556 364 L HA 0.056 4.397 4.340 0.001 0.000 0.226 364 L C 0.325 177.302 176.870 0.179 0.000 1.089 364 L CA 0.172 54.982 54.840 -0.050 0.000 0.864 364 L CB 0.733 42.610 42.059 -0.304 0.000 1.067 364 L HN -0.135 nan 8.230 nan 0.000 0.477 365 T N 1.215 115.931 114.554 0.270 0.000 2.776 365 T HA 0.130 4.481 4.350 0.001 0.000 0.292 365 T C 0.928 175.727 174.700 0.164 0.000 0.921 365 T CA -0.172 62.099 62.100 0.287 0.000 1.038 365 T CB 0.679 69.649 68.868 0.169 0.000 0.910 365 T HN -0.032 nan 8.240 nan 0.000 0.536 366 K N 1.467 121.956 120.400 0.149 0.000 2.380 366 K HA 0.165 4.486 4.320 0.001 0.000 0.198 366 K C 0.345 176.981 176.600 0.060 0.000 1.070 366 K CA 0.098 56.434 56.287 0.080 0.000 1.040 366 K CB 0.591 33.122 32.500 0.050 0.000 0.903 366 K HN 0.527 nan 8.250 nan 0.000 0.549 367 D N 0.596 121.040 120.400 0.074 0.000 2.433 367 D HA 0.274 4.915 4.640 0.001 0.000 0.255 367 D C -0.156 176.178 176.300 0.057 0.000 1.226 367 D CA 0.108 54.139 54.000 0.052 0.000 1.015 367 D CB 1.098 41.924 40.800 0.043 0.000 1.091 367 D HN -0.252 nan 8.370 nan 0.000 0.527 368 S N -0.759 114.985 115.700 0.072 0.000 2.547 368 S HA 0.355 4.825 4.470 0.001 0.000 0.270 368 S C -1.063 173.642 174.600 0.175 0.000 1.150 368 S CA -0.790 57.459 58.200 0.082 0.000 0.850 368 S CB 1.853 65.067 63.200 0.022 0.000 1.118 368 S HN 0.185 nan 8.310 nan 0.000 0.461 369 V N 2.486 122.509 119.914 0.181 0.000 2.417 369 V HA 0.421 4.542 4.120 0.001 0.000 0.291 369 V C -0.963 175.368 176.094 0.395 0.000 1.024 369 V CA -0.567 61.911 62.300 0.297 0.000 0.861 369 V CB 0.942 32.922 31.823 0.261 0.000 0.985 369 V HN 0.864 nan 8.190 nan 0.000 0.436 370 W N 3.615 124.968 121.300 0.089 0.000 2.190 370 W HA 0.277 4.938 4.660 0.001 0.000 0.330 370 W C 1.584 178.211 176.519 0.179 0.000 1.299 370 W CA -0.507 56.865 57.345 0.045 0.000 1.215 370 W CB -0.370 29.074 29.460 -0.026 0.000 1.147 370 W HN 0.620 nan 8.180 nan 0.000 0.563 371 N N 0.680 119.585 118.700 0.341 0.000 2.149 371 N HA -0.182 4.559 4.740 0.001 0.000 0.188 371 N C -0.459 175.242 175.510 0.318 0.000 1.019 371 N CA 1.487 54.723 53.050 0.311 0.000 0.857 371 N CB -0.079 38.618 38.487 0.350 0.000 0.997 371 N HN 0.491 nan 8.380 nan 0.000 0.426 372 Y N -2.800 117.714 120.300 0.357 0.000 2.656 372 Y HA 0.585 5.136 4.550 0.001 0.000 0.334 372 Y C -1.402 174.820 175.900 0.537 0.000 1.179 372 Y CA -1.460 56.748 58.100 0.180 0.000 1.050 372 Y CB 1.012 39.420 38.460 -0.086 0.000 1.308 372 Y HN -0.107 nan 8.280 nan 0.000 0.456 373 H N 0.682 119.918 119.070 0.276 0.000 3.128 373 H HA 0.632 5.189 4.556 0.001 0.000 0.336 373 H C -1.821 173.600 175.328 0.155 0.000 1.026 373 H CA -1.232 54.990 56.048 0.290 0.000 1.376 373 H CB 1.220 30.991 29.762 0.015 0.000 1.882 373 H HN 1.141 nan 8.280 nan 0.000 0.479 374 C N 4.507 123.733 119.300 -0.123 0.000 2.319 374 C HA 0.754 5.215 4.460 0.001 0.000 0.335 374 C C 0.202 175.044 174.990 -0.247 0.000 1.274 374 C CA -0.884 57.967 59.018 -0.280 0.000 1.806 374 C CB -1.575 26.102 27.740 -0.105 0.000 2.329 374 C HN 0.856 nan 8.230 nan 0.000 0.524 375 W N 2.377 123.528 121.300 -0.248 0.000 3.057 375 W HA 0.775 5.436 4.660 0.001 0.000 0.517 375 W C -0.693 175.826 176.519 -0.001 0.000 1.448 375 W CA -0.789 56.481 57.345 -0.127 0.000 1.218 375 W CB 0.118 29.531 29.460 -0.079 0.000 2.655 375 W HN 0.481 nan 8.180 nan 0.000 0.703 376 N N -0.314 118.631 118.700 0.408 0.000 2.262 376 N HA 0.349 5.089 4.740 0.001 0.000 0.295 376 N C -1.639 174.072 175.510 0.335 0.000 1.161 376 N CA -0.952 52.266 53.050 0.281 0.000 0.767 376 N CB 2.398 41.121 38.487 0.393 0.000 1.499 376 N HN 0.372 nan 8.380 nan 0.000 0.476 377 E N 0.457 120.770 120.200 0.188 0.000 2.222 377 E HA 0.726 5.076 4.350 0.001 0.000 0.267 377 E C -1.245 175.603 176.600 0.413 0.000 0.884 377 E CA -1.009 55.545 56.400 0.257 0.000 0.764 377 E CB 2.101 31.748 29.700 -0.088 0.000 1.169 377 E HN 0.552 nan 8.360 nan 0.000 0.413 378 A N 3.348 126.456 122.820 0.479 0.000 2.371 378 A HA 0.409 4.730 4.320 0.001 0.000 0.311 378 A C -1.545 176.197 177.584 0.263 0.000 1.068 378 A CA -0.702 51.539 52.037 0.340 0.000 0.744 378 A CB 1.135 20.237 19.000 0.170 0.000 1.239 378 A HN 0.689 nan 8.150 nan 0.000 0.435 379 W N 5.512 126.698 121.300 -0.190 0.000 2.391 379 W HA 0.652 5.313 4.660 0.001 0.000 0.311 379 W C -1.016 175.311 176.519 -0.321 0.000 1.087 379 W CA -0.361 56.691 57.345 -0.489 0.000 1.209 379 W CB 1.289 30.130 29.460 -1.033 0.000 1.273 379 W HN 0.903 nan 8.180 nan 0.000 0.482 380 M N 3.884 122.973 119.600 -0.852 0.000 2.853 380 M HA 0.251 4.732 4.480 0.001 0.000 0.273 380 M C -0.678 175.277 176.300 -0.576 0.000 1.128 380 M CA -0.628 54.342 55.300 -0.550 0.000 0.814 380 M CB 1.325 33.753 32.600 -0.287 0.000 1.667 380 M HN 0.253 nan 8.290 nan 0.000 0.519 381 T N -0.616 113.728 114.554 -0.351 0.000 2.732 381 T HA 0.564 4.915 4.350 0.001 0.000 0.287 381 T C 0.093 174.684 174.700 -0.181 0.000 0.993 381 T CA -0.576 61.366 62.100 -0.262 0.000 0.966 381 T CB 0.718 69.503 68.868 -0.138 0.000 1.047 381 T HN 0.706 nan 8.240 nan 0.000 0.527 382 R N 1.659 122.083 120.500 -0.127 0.000 2.639 382 R HA 0.264 4.605 4.340 0.001 0.000 0.273 382 R C -2.186 174.076 176.300 -0.064 0.000 1.732 382 R CA -1.822 54.234 56.100 -0.074 0.000 1.586 382 R CB 1.286 31.547 30.300 -0.064 0.000 1.263 382 R HN 0.600 nan 8.270 nan 0.000 0.615 383 P HA -0.092 nan 4.420 nan 0.000 0.239 383 P C 0.288 177.563 177.300 -0.041 0.000 1.184 383 P CA 0.847 63.924 63.100 -0.038 0.000 0.760 383 P CB 0.392 32.082 31.700 -0.017 0.000 0.884 384 D N -1.008 119.365 120.400 -0.045 0.000 2.360 384 D HA 0.039 4.680 4.640 0.001 0.000 0.210 384 D C 0.693 176.913 176.300 -0.133 0.000 1.047 384 D CA 0.152 54.117 54.000 -0.059 0.000 0.854 384 D CB -0.122 40.667 40.800 -0.018 0.000 0.936 384 D HN 0.225 nan 8.370 nan 0.000 0.514 385 L N -0.046 121.065 121.223 -0.185 0.000 2.323 385 L HA 0.482 4.823 4.340 0.001 0.000 0.265 385 L C -2.357 174.347 176.870 -0.277 0.000 1.012 385 L CA -2.414 52.206 54.840 -0.366 0.000 0.820 385 L CB 1.785 43.538 42.059 -0.512 0.000 1.334 385 L HN -0.359 nan 8.230 nan 0.000 0.427 386 P HA -0.067 nan 4.420 nan 0.000 0.269 386 P C -0.577 176.704 177.300 -0.032 0.000 1.211 386 P CA -0.224 62.783 63.100 -0.154 0.000 0.781 386 P CB 0.499 32.105 31.700 -0.157 0.000 0.877 387 V N 1.838 121.720 119.914 -0.053 0.000 2.599 387 V HA 0.352 4.472 4.120 0.001 0.000 0.300 387 V C 1.226 177.234 176.094 -0.144 0.000 1.034 387 V CA 1.773 64.029 62.300 -0.073 0.000 1.115 387 V CB -0.344 31.440 31.823 -0.065 0.000 0.934 387 V HN 0.951 nan 8.190 nan 0.000 0.485 388 G N 5.008 113.690 108.800 -0.196 0.000 2.255 388 G HA2 -0.219 3.741 3.960 0.001 0.000 0.196 388 G HA3 -0.219 3.741 3.960 0.001 0.000 0.196 388 G C 0.126 174.708 174.900 -0.530 0.000 0.998 388 G CA 0.263 45.143 45.100 -0.367 0.000 0.656 388 G HN 0.801 nan 8.290 nan 0.000 0.490 389 F N 2.490 122.317 119.950 -0.206 0.000 2.641 389 F HA 0.504 5.032 4.527 0.001 0.000 0.302 389 F C 1.856 177.531 175.800 -0.208 0.000 1.098 389 F CA -0.003 57.874 58.000 -0.205 0.000 1.318 389 F CB 0.590 39.439 39.000 -0.251 0.000 1.035 389 F HN 0.332 nan 8.300 nan 0.000 0.551 390 G N -0.461 108.262 108.800 -0.128 0.000 2.563 390 G HA2 0.511 4.472 3.960 0.001 0.000 0.283 390 G HA3 0.511 4.472 3.960 0.001 0.000 0.283 390 G C 0.458 175.103 174.900 -0.426 0.000 1.309 390 G CA 0.255 45.198 45.100 -0.261 0.000 1.022 390 G HN 0.585 nan 8.290 nan 0.000 0.501 391 G N -1.644 106.643 108.800 -0.854 0.000 2.418 391 G HA2 -0.137 3.823 3.960 0.001 0.000 0.206 391 G HA3 -0.137 3.823 3.960 0.001 0.000 0.206 391 G C -0.315 174.020 174.900 -0.943 0.000 1.202 391 G CA -0.316 43.910 45.100 -1.457 0.000 1.061 391 G HN 0.789 nan 8.290 nan 0.000 0.563 392 W N 1.969 123.117 121.300 -0.254 0.000 2.223 392 W HA 0.514 5.175 4.660 0.001 0.000 0.334 392 W C 0.641 177.132 176.519 -0.046 0.000 1.334 392 W CA 0.047 57.406 57.345 0.023 0.000 1.246 392 W CB 0.571 30.106 29.460 0.125 0.000 1.184 392 W HN 0.393 nan 8.180 nan 0.000 0.563 393 Q N 2.633 122.622 119.800 0.314 0.000 2.337 393 Q HA 0.527 4.868 4.340 0.001 0.000 0.270 393 Q C -0.426 175.745 176.000 0.284 0.000 1.043 393 Q CA -0.866 55.063 55.803 0.211 0.000 0.794 393 Q CB 1.805 30.619 28.738 0.127 0.000 1.281 393 Q HN 0.537 nan 8.270 nan 0.000 0.446 394 A N 2.046 125.029 122.820 0.271 0.000 2.401 394 A HA 0.591 4.912 4.320 0.001 0.000 0.259 394 A C -0.288 177.444 177.584 0.247 0.000 1.103 394 A CA -0.245 51.999 52.037 0.345 0.000 0.789 394 A CB 0.506 19.710 19.000 0.340 0.000 1.035 394 A HN 0.424 nan 8.150 nan 0.000 0.491 395 V N 2.998 123.087 119.914 0.292 0.000 2.733 395 V HA 0.410 4.531 4.120 0.001 0.000 0.306 395 V C -1.234 174.964 176.094 0.173 0.000 1.084 395 V CA -0.696 61.722 62.300 0.196 0.000 0.905 395 V CB 2.136 34.151 31.823 0.320 0.000 1.010 395 V HN 0.952 nan 8.190 nan 0.000 0.424 396 D N 2.049 122.468 120.400 0.031 0.000 2.549 396 D HA 0.403 5.044 4.640 0.001 0.000 0.251 396 D C 0.685 176.979 176.300 -0.010 0.000 1.153 396 D CA -0.262 53.773 54.000 0.058 0.000 0.861 396 D CB 2.387 43.177 40.800 -0.016 0.000 1.207 396 D HN 0.387 nan 8.370 nan 0.000 0.543 397 S N 1.149 116.831 115.700 -0.030 0.000 2.489 397 S HA -0.000 4.470 4.470 0.001 0.000 0.228 397 S C 0.813 175.386 174.600 -0.044 0.000 0.995 397 S CA 0.268 58.373 58.200 -0.157 0.000 0.934 397 S CB 0.143 63.201 63.200 -0.236 0.000 0.771 397 S HN 0.510 nan 8.310 nan 0.000 0.522 398 T N 4.962 119.661 114.554 0.241 0.000 2.738 398 T HA 0.253 4.604 4.350 0.001 0.000 0.293 398 T C -2.500 172.393 174.700 0.323 0.000 0.913 398 T CA -1.185 61.182 62.100 0.445 0.000 1.103 398 T CB 0.626 69.869 68.868 0.626 0.000 0.880 398 T HN 0.106 nan 8.240 nan 0.000 0.526 399 P HA 0.177 nan 4.420 nan 0.000 0.270 399 P C -0.522 176.766 177.300 -0.019 0.000 1.227 399 P CA -0.322 62.809 63.100 0.052 0.000 0.788 399 P CB 0.367 32.057 31.700 -0.017 0.000 0.926 400 Q N -1.228 118.455 119.800 -0.195 0.000 2.574 400 Q HA 0.263 4.604 4.340 0.001 0.000 0.265 400 Q C -1.314 174.484 176.000 -0.337 0.000 0.975 400 Q CA -0.954 54.629 55.803 -0.366 0.000 0.923 400 Q CB 0.813 29.149 28.738 -0.670 0.000 1.518 400 Q HN 0.173 nan 8.270 nan 0.000 0.401 401 E N 2.622 122.645 120.200 -0.295 0.000 2.585 401 E HA 0.034 4.385 4.350 0.001 0.000 0.252 401 E C -0.583 175.744 176.600 -0.455 0.000 0.981 401 E CA 0.866 57.096 56.400 -0.283 0.000 0.943 401 E CB 0.263 29.862 29.700 -0.168 0.000 0.923 401 E HN 0.712 nan 8.360 nan 0.000 0.486 402 N N -0.328 118.046 118.700 -0.545 0.000 3.379 402 N HA 0.191 4.932 4.740 0.001 0.000 0.350 402 N C 0.614 175.912 175.510 -0.352 0.000 1.553 402 N CA -0.680 51.777 53.050 -0.989 0.000 0.712 402 N CB 0.003 37.876 38.487 -1.023 0.000 1.880 402 N HN 0.014 nan 8.380 nan 0.000 0.648 403 S N -0.756 114.834 115.700 -0.183 0.000 2.392 403 S HA -0.156 4.315 4.470 0.001 0.000 0.232 403 S C 0.340 174.951 174.600 0.018 0.000 1.041 403 S CA 1.885 60.092 58.200 0.012 0.000 1.026 403 S CB -0.591 62.642 63.200 0.056 0.000 0.845 403 S HN 0.617 nan 8.310 nan 0.000 0.465 404 D N -0.422 120.003 120.400 0.042 0.000 2.355 404 D HA 0.388 5.029 4.640 0.001 0.000 0.206 404 D C 1.212 177.610 176.300 0.163 0.000 1.010 404 D CA 0.945 55.036 54.000 0.151 0.000 0.875 404 D CB 0.308 41.243 40.800 0.226 0.000 0.966 404 D HN 0.473 nan 8.370 nan 0.000 0.512 405 G N 0.323 109.106 108.800 -0.028 0.000 2.347 405 G HA2 -0.027 3.933 3.960 0.001 0.000 0.224 405 G HA3 -0.027 3.933 3.960 0.001 0.000 0.224 405 G C -1.261 173.354 174.900 -0.475 0.000 1.318 405 G CA -0.434 44.504 45.100 -0.269 0.000 1.016 405 G HN 0.032 nan 8.290 nan 0.000 0.469 406 M N 1.915 121.092 119.600 -0.705 0.000 3.422 406 M HA 0.657 5.138 4.480 0.001 0.000 0.248 406 M C -1.307 174.597 176.300 -0.659 0.000 1.433 406 M CA -0.392 54.577 55.300 -0.552 0.000 1.592 406 M CB -1.155 31.214 32.600 -0.385 0.000 1.078 406 M HN 0.381 nan 8.290 nan 0.000 0.578 407 Y N 0.251 120.464 120.300 -0.145 0.000 2.659 407 Y HA 0.721 5.272 4.550 0.001 0.000 0.333 407 Y C 0.277 176.092 175.900 -0.143 0.000 1.064 407 Y CA -1.348 56.670 58.100 -0.137 0.000 1.141 407 Y CB 0.678 39.059 38.460 -0.132 0.000 1.316 407 Y HN 0.456 nan 8.280 nan 0.000 0.509 408 R N -0.143 120.385 120.500 0.046 0.000 2.738 408 R HA 0.616 4.957 4.340 0.001 0.000 0.275 408 R C -1.179 175.096 176.300 -0.041 0.000 1.121 408 R CA -0.583 55.495 56.100 -0.037 0.000 1.207 408 R CB -0.410 29.812 30.300 -0.129 0.000 1.141 408 R HN 0.518 nan 8.270 nan 0.000 0.571 409 C N -0.491 118.784 119.300 -0.043 0.000 2.634 409 C HA 0.974 5.435 4.460 0.001 0.000 0.313 409 C C 0.300 175.291 174.990 0.001 0.000 1.198 409 C CA 0.373 59.380 59.018 -0.018 0.000 1.605 409 C CB 0.923 28.657 27.740 -0.010 0.000 2.196 409 C HN 1.155 nan 8.230 nan 0.000 0.486 410 G N 2.844 111.682 108.800 0.062 0.000 2.555 410 G HA2 0.044 4.005 3.960 0.001 0.000 0.686 410 G HA3 0.044 4.005 3.960 0.001 0.000 0.686 410 G C -3.336 171.546 174.900 -0.031 0.000 1.275 410 G CA -1.037 44.115 45.100 0.087 0.000 0.871 410 G HN 0.558 nan 8.290 nan 0.000 0.603 411 P HA 0.444 nan 4.420 nan 0.000 0.265 411 P C -0.084 177.370 177.300 0.257 0.000 1.222 411 P CA 0.815 63.993 63.100 0.131 0.000 0.767 411 P CB 0.937 32.694 31.700 0.096 0.000 0.801 412 A N 3.382 126.328 122.820 0.210 0.000 2.271 412 A HA 0.359 4.680 4.320 0.001 0.000 0.317 412 A C 0.537 178.223 177.584 0.171 0.000 1.245 412 A CA -0.618 51.539 52.037 0.200 0.000 0.857 412 A CB 0.474 19.581 19.000 0.178 0.000 1.175 412 A HN 0.450 nan 8.150 nan 0.000 0.512 413 S N 2.461 118.250 115.700 0.149 0.000 2.509 413 S HA 0.113 4.584 4.470 0.001 0.000 0.287 413 S C 1.444 176.128 174.600 0.141 0.000 1.248 413 S CA -0.352 57.935 58.200 0.144 0.000 1.089 413 S CB -0.121 63.181 63.200 0.169 0.000 0.900 413 S HN 0.692 nan 8.310 nan 0.000 0.496 414 V N 5.950 125.901 119.914 0.062 0.000 2.453 414 V HA -0.175 3.946 4.120 0.001 0.000 0.252 414 V C 2.610 178.695 176.094 -0.014 0.000 1.068 414 V CA 1.700 63.937 62.300 -0.105 0.000 1.070 414 V CB -0.574 31.085 31.823 -0.273 0.000 0.664 414 V HN 0.781 nan 8.190 nan 0.000 0.461 415 Q N -0.574 119.267 119.800 0.069 0.000 2.172 415 Q HA -0.055 4.286 4.340 0.001 0.000 0.200 415 Q C 2.438 178.567 176.000 0.215 0.000 0.964 415 Q CA 1.637 57.459 55.803 0.031 0.000 0.855 415 Q CB -0.306 28.355 28.738 -0.127 0.000 0.918 415 Q HN 0.682 nan 8.270 nan 0.000 0.444 416 A N 0.925 124.040 122.820 0.492 0.000 1.897 416 A HA -0.122 4.199 4.320 0.001 0.000 0.215 416 A C 1.984 179.843 177.584 0.458 0.000 1.181 416 A CA 0.759 53.185 52.037 0.648 0.000 0.620 416 A CB -0.311 18.895 19.000 0.344 0.000 0.821 416 A HN 0.195 nan 8.150 nan 0.000 0.443 417 I N 0.487 121.272 120.570 0.357 0.000 2.069 417 I HA -0.248 3.923 4.170 0.001 0.000 0.237 417 I C 2.315 178.709 176.117 0.462 0.000 1.053 417 I CA 1.698 63.262 61.300 0.440 0.000 1.311 417 I CB -1.314 36.878 38.000 0.321 0.000 1.030 417 I HN 0.306 nan 8.210 nan 0.000 0.398 418 K N 0.137 120.720 120.400 0.305 0.000 2.286 418 K HA -0.220 4.101 4.320 0.001 0.000 0.203 418 K C 1.186 178.031 176.600 0.409 0.000 1.045 418 K CA 1.509 57.933 56.287 0.229 0.000 0.935 418 K CB -0.128 32.414 32.500 0.069 0.000 0.737 418 K HN 0.485 nan 8.250 nan 0.000 0.460 419 H N -1.840 117.403 119.070 0.288 0.000 2.592 419 H HA 0.228 4.784 4.556 0.001 0.000 0.279 419 H C 0.950 176.350 175.328 0.121 0.000 1.089 419 H CA 0.315 56.557 56.048 0.322 0.000 1.150 419 H CB 0.813 30.817 29.762 0.403 0.000 1.575 419 H HN 0.362 nan 8.280 nan 0.000 0.547 420 G N 0.650 109.669 108.800 0.365 0.000 2.189 420 G HA2 -0.337 3.624 3.960 0.001 0.000 0.267 420 G HA3 -0.337 3.624 3.960 0.001 0.000 0.267 420 G C 0.115 175.006 174.900 -0.014 0.000 0.975 420 G CA 0.160 45.343 45.100 0.138 0.000 0.644 420 G HN 0.522 nan 8.290 nan 0.000 0.537 421 H N 0.872 120.128 119.070 0.311 0.000 3.392 421 H HA 0.269 4.825 4.556 0.001 0.000 0.253 421 H C 1.825 177.108 175.328 -0.074 0.000 1.682 421 H CA 0.801 56.959 56.048 0.183 0.000 1.535 421 H CB -0.031 29.911 29.762 0.301 0.000 1.823 421 H HN 0.522 nan 8.280 nan 0.000 0.576 422 V N -0.442 119.448 119.914 -0.040 0.000 3.623 422 V HA -0.096 4.024 4.120 0.001 0.000 0.271 422 V C 2.081 177.990 176.094 -0.308 0.000 1.248 422 V CA 0.455 62.664 62.300 -0.151 0.000 1.156 422 V CB -1.239 30.451 31.823 -0.222 0.000 0.870 422 V HN 0.655 nan 8.190 nan 0.000 0.453 423 C N -1.433 117.444 119.300 -0.705 0.000 2.448 423 C HA 0.259 4.720 4.460 0.001 0.000 0.280 423 C C 1.122 175.694 174.990 -0.697 0.000 1.398 423 C CA -0.703 57.814 59.018 -0.836 0.000 1.774 423 C CB -1.773 25.110 27.740 -1.428 0.000 1.888 423 C HN 0.384 nan 8.230 nan 0.000 0.519 424 F N 3.581 123.292 119.950 -0.398 0.000 2.467 424 F HA 0.304 4.831 4.527 0.001 0.000 0.362 424 F C 1.179 176.775 175.800 -0.340 0.000 1.090 424 F CA -0.917 56.836 58.000 -0.412 0.000 1.202 424 F CB 0.050 38.709 39.000 -0.569 0.000 1.113 424 F HN 0.405 nan 8.300 nan 0.000 0.541 425 Q N 2.332 121.999 119.800 -0.222 0.000 2.469 425 Q HA 0.043 4.384 4.340 0.001 0.000 0.279 425 Q C -1.148 174.614 176.000 -0.398 0.000 1.097 425 Q CA 0.008 55.534 55.803 -0.462 0.000 0.951 425 Q CB 0.169 28.363 28.738 -0.907 0.000 1.297 425 Q HN 0.586 nan 8.270 nan 0.000 0.465 426 F N 0.628 120.593 119.950 0.025 0.000 2.380 426 F HA -0.105 4.423 4.527 0.001 0.000 0.485 426 F C -0.525 175.310 175.800 0.059 0.000 1.217 426 F CA 0.669 58.688 58.000 0.030 0.000 1.556 426 F CB -2.467 36.546 39.000 0.021 0.000 2.368 426 F HN 0.899 nan 8.300 nan 0.000 0.729 427 D N -1.455 119.086 120.400 0.235 0.000 2.737 427 D HA -0.284 4.357 4.640 0.001 0.000 0.233 427 D C 1.524 178.017 176.300 0.322 0.000 1.155 427 D CA 0.848 55.015 54.000 0.279 0.000 0.667 427 D CB -0.999 39.897 40.800 0.158 0.000 1.060 427 D HN 0.711 nan 8.370 nan 0.000 0.427 428 A N 0.420 123.355 122.820 0.191 0.000 1.869 428 A HA -0.154 4.167 4.320 0.001 0.000 0.218 428 A C -0.051 177.602 177.584 0.116 0.000 1.203 428 A CA 1.990 54.113 52.037 0.143 0.000 0.638 428 A CB -1.374 17.666 19.000 0.067 0.000 0.831 428 A HN 0.305 nan 8.150 nan 0.000 0.450 429 P HA -0.186 nan 4.420 nan 0.000 0.217 429 P C 0.944 178.085 177.300 -0.265 0.000 1.151 429 P CA 1.447 64.373 63.100 -0.290 0.000 0.849 429 P CB -0.217 31.131 31.700 -0.587 0.000 0.787 430 F N -1.161 118.816 119.950 0.044 0.000 2.293 430 F HA -0.091 4.436 4.527 0.001 0.000 0.297 430 F C 2.275 178.078 175.800 0.005 0.000 1.089 430 F CA 0.937 58.946 58.000 0.015 0.000 1.377 430 F CB -1.448 37.535 39.000 -0.027 0.000 1.051 430 F HN -0.173 nan 8.300 nan 0.000 0.511 431 V N -2.370 117.648 119.914 0.173 0.000 2.649 431 V HA -0.148 3.973 4.120 0.001 0.000 0.248 431 V C 2.131 178.297 176.094 0.120 0.000 1.054 431 V CA 0.983 63.288 62.300 0.009 0.000 1.073 431 V CB -1.175 30.618 31.823 -0.050 0.000 0.699 431 V HN 0.266 nan 8.190 nan 0.000 0.463 432 F N 2.568 122.546 119.950 0.048 0.000 2.069 432 F HA -0.024 4.504 4.527 0.001 0.000 0.298 432 F C 2.491 178.314 175.800 0.040 0.000 1.113 432 F CA 2.310 60.354 58.000 0.073 0.000 1.214 432 F CB -0.769 38.257 39.000 0.043 0.000 0.978 432 F HN 0.225 nan 8.300 nan 0.000 0.474 433 A N -0.179 122.824 122.820 0.304 0.000 2.024 433 A HA -0.193 4.127 4.320 0.001 0.000 0.220 433 A C 2.108 179.726 177.584 0.057 0.000 1.164 433 A CA 1.651 53.782 52.037 0.156 0.000 0.643 433 A CB -0.819 18.229 19.000 0.080 0.000 0.806 433 A HN 0.498 nan 8.150 nan 0.000 0.451 434 E N -0.859 119.364 120.200 0.037 0.000 2.333 434 E HA -0.076 4.275 4.350 0.001 0.000 0.198 434 E C 1.219 177.847 176.600 0.048 0.000 1.007 434 E CA 1.028 57.433 56.400 0.010 0.000 0.845 434 E CB 0.136 29.774 29.700 -0.103 0.000 0.766 434 E HN 0.367 nan 8.360 nan 0.000 0.507 435 V N 0.374 120.294 119.914 0.010 0.000 3.451 435 V HA 0.087 4.207 4.120 0.001 0.000 0.288 435 V C 0.348 176.403 176.094 -0.066 0.000 1.502 435 V CA 0.157 62.461 62.300 0.007 0.000 1.026 435 V CB 0.342 32.177 31.823 0.020 0.000 0.840 435 V HN 0.038 nan 8.190 nan 0.000 0.437 436 N N -0.345 118.273 118.700 -0.136 0.000 2.177 436 N HA 0.237 4.978 4.740 0.001 0.000 0.218 436 N C 0.492 175.988 175.510 -0.022 0.000 1.182 436 N CA 0.070 53.026 53.050 -0.156 0.000 0.882 436 N CB 0.803 39.008 38.487 -0.470 0.000 1.052 436 N HN 0.223 nan 8.380 nan 0.000 0.519 437 S N 0.724 116.435 115.700 0.019 0.000 2.589 437 S HA 0.167 4.638 4.470 0.001 0.000 0.265 437 S C -0.209 174.417 174.600 0.045 0.000 1.342 437 S CA 0.008 58.233 58.200 0.040 0.000 1.005 437 S CB 0.704 63.928 63.200 0.040 0.000 0.909 437 S HN 0.115 nan 8.310 nan 0.000 0.555 438 D N 1.041 121.462 120.400 0.034 0.000 2.350 438 D HA 0.419 5.059 4.640 0.001 0.000 0.245 438 D C -0.459 175.837 176.300 -0.007 0.000 1.036 438 D CA -0.419 53.600 54.000 0.031 0.000 0.848 438 D CB 0.956 41.772 40.800 0.027 0.000 1.307 438 D HN 0.256 nan 8.370 nan 0.000 0.469 439 L N 1.999 123.212 121.223 -0.016 0.000 2.305 439 L HA 0.413 4.753 4.340 0.001 0.000 0.281 439 L C -0.177 176.569 176.870 -0.208 0.000 1.085 439 L CA -0.613 54.138 54.840 -0.149 0.000 0.813 439 L CB 0.691 42.638 42.059 -0.186 0.000 1.157 439 L HN 0.161 nan 8.230 nan 0.000 0.436 440 I N 3.207 123.586 120.570 -0.319 0.000 2.389 440 I HA 0.268 4.439 4.170 0.001 0.000 0.288 440 I C -0.537 175.322 176.117 -0.430 0.000 0.999 440 I CA -0.573 60.580 61.300 -0.244 0.000 1.129 440 I CB 1.289 39.189 38.000 -0.166 0.000 1.288 440 I HN 0.394 nan 8.210 nan 0.000 0.444 441 Y N 6.449 126.681 120.300 -0.113 0.000 2.350 441 Y HA 0.507 5.058 4.550 0.001 0.000 0.340 441 Y C 0.288 176.120 175.900 -0.115 0.000 1.006 441 Y CA -0.265 57.757 58.100 -0.131 0.000 1.166 441 Y CB 1.141 39.558 38.460 -0.072 0.000 1.168 441 Y HN 0.364 nan 8.280 nan 0.000 0.502 442 I N 2.770 123.303 120.570 -0.062 0.000 2.436 442 I HA 0.261 4.432 4.170 0.001 0.000 0.289 442 I C -0.371 175.849 176.117 0.172 0.000 1.010 442 I CA -0.592 60.738 61.300 0.050 0.000 1.098 442 I CB 2.022 40.042 38.000 0.033 0.000 1.266 442 I HN 0.489 nan 8.210 nan 0.000 0.434 443 T N 5.525 120.179 114.554 0.168 0.000 2.737 443 T HA 0.378 4.729 4.350 0.001 0.000 0.296 443 T C 0.316 175.144 174.700 0.214 0.000 0.922 443 T CA -0.418 61.768 62.100 0.144 0.000 1.079 443 T CB 0.731 69.640 68.868 0.069 0.000 0.892 443 T HN 0.634 nan 8.240 nan 0.000 0.514 444 A N 4.837 127.794 122.820 0.229 0.000 2.798 444 A HA 0.329 4.650 4.320 0.001 0.000 0.316 444 A C 0.421 177.972 177.584 -0.054 0.000 1.506 444 A CA -0.674 51.439 52.037 0.127 0.000 1.162 444 A CB -0.274 18.840 19.000 0.189 0.000 1.138 444 A HN 0.776 nan 8.150 nan 0.000 0.532 445 K N 1.819 122.160 120.400 -0.099 0.000 2.416 445 K HA 0.060 4.381 4.320 0.001 0.000 0.283 445 K C 0.705 177.236 176.600 -0.115 0.000 1.037 445 K CA -0.044 56.192 56.287 -0.086 0.000 0.995 445 K CB 0.882 33.342 32.500 -0.067 0.000 0.938 445 K HN 0.597 nan 8.250 nan 0.000 0.475 446 K N 1.779 122.131 120.400 -0.081 0.000 2.385 446 K HA -0.242 4.079 4.320 0.001 0.000 0.202 446 K C 0.953 177.506 176.600 -0.078 0.000 1.044 446 K CA 1.855 58.096 56.287 -0.075 0.000 0.933 446 K CB -0.105 32.364 32.500 -0.053 0.000 0.744 446 K HN 0.669 nan 8.250 nan 0.000 0.479 447 D N -1.326 119.025 120.400 -0.081 0.000 2.323 447 D HA -0.029 4.612 4.640 0.001 0.000 0.209 447 D C 1.299 177.545 176.300 -0.090 0.000 0.973 447 D CA 1.118 55.075 54.000 -0.071 0.000 0.874 447 D CB 0.169 40.935 40.800 -0.056 0.000 0.930 447 D HN 0.289 nan 8.370 nan 0.000 0.521 448 G N -0.934 107.782 108.800 -0.139 0.000 2.260 448 G HA2 -0.182 3.779 3.960 0.001 0.000 0.179 448 G HA3 -0.182 3.779 3.960 0.001 0.000 0.179 448 G C 0.280 175.033 174.900 -0.244 0.000 1.002 448 G CA 0.055 45.052 45.100 -0.171 0.000 0.677 448 G HN 0.401 nan 8.290 nan 0.000 0.486 449 T N 2.458 116.886 114.554 -0.210 0.000 2.909 449 T HA 0.622 4.973 4.350 0.001 0.000 0.289 449 T C -0.362 174.172 174.700 -0.276 0.000 1.005 449 T CA -0.077 61.922 62.100 -0.168 0.000 1.084 449 T CB 1.082 69.907 68.868 -0.071 0.000 0.975 449 T HN 0.274 nan 8.240 nan 0.000 0.509 450 H N 0.492 119.578 119.070 0.026 0.000 2.569 450 H HA 0.688 5.244 4.556 0.001 0.000 0.357 450 H C -0.929 174.428 175.328 0.049 0.000 1.153 450 H CA -0.582 55.500 56.048 0.057 0.000 1.193 450 H CB 2.034 31.849 29.762 0.088 0.000 1.602 450 H HN 0.343 nan 8.280 nan 0.000 0.523 451 V N 3.367 123.394 119.914 0.189 0.000 2.612 451 V HA 0.169 4.290 4.120 0.001 0.000 0.301 451 V C -0.571 175.584 176.094 0.101 0.000 1.059 451 V CA -0.819 61.547 62.300 0.111 0.000 0.886 451 V CB 1.533 33.395 31.823 0.065 0.000 1.007 451 V HN 0.587 nan 8.190 nan 0.000 0.426 452 V N 5.142 125.102 119.914 0.076 0.000 2.381 452 V HA 0.480 4.601 4.120 0.001 0.000 0.257 452 V C 1.021 177.149 176.094 0.056 0.000 1.057 452 V CA 0.193 62.528 62.300 0.058 0.000 1.013 452 V CB 0.568 32.413 31.823 0.036 0.000 1.069 452 V HN 0.903 nan 8.190 nan 0.000 0.484 453 E N 3.739 123.980 120.200 0.068 0.000 2.004 453 E HA 0.002 4.353 4.350 0.001 0.000 0.192 453 E C 0.645 177.280 176.600 0.059 0.000 0.987 453 E CA 0.906 57.338 56.400 0.054 0.000 0.822 453 E CB 0.045 29.774 29.700 0.049 0.000 0.779 453 E HN 0.835 nan 8.360 nan 0.000 0.458 454 N N 0.181 118.949 118.700 0.112 0.000 2.432 454 N HA 0.304 5.045 4.740 0.001 0.000 0.292 454 N C -1.489 174.170 175.510 0.248 0.000 1.193 454 N CA -0.329 52.799 53.050 0.130 0.000 0.878 454 N CB 2.538 41.009 38.487 -0.027 0.000 1.252 454 N HN -0.074 nan 8.380 nan 0.000 0.520 455 V N 1.769 121.802 119.914 0.198 0.000 2.624 455 V HA 0.219 4.339 4.120 0.001 0.000 0.294 455 V C -1.661 174.521 176.094 0.147 0.000 1.077 455 V CA -0.695 61.698 62.300 0.156 0.000 0.905 455 V CB 1.490 33.359 31.823 0.076 0.000 1.025 455 V HN 0.687 nan 8.190 nan 0.000 0.440 456 D N 5.745 126.253 120.400 0.180 0.000 2.493 456 D HA 0.493 5.133 4.640 0.001 0.000 0.235 456 D C 0.939 177.304 176.300 0.108 0.000 1.117 456 D CA 0.277 54.364 54.000 0.145 0.000 0.930 456 D CB 1.527 42.441 40.800 0.189 0.000 1.010 456 D HN 0.706 nan 8.370 nan 0.000 0.514 457 A N 2.593 125.464 122.820 0.086 0.000 2.248 457 A HA 0.005 4.326 4.320 0.001 0.000 0.210 457 A C 1.442 179.077 177.584 0.085 0.000 1.174 457 A CA 1.082 53.165 52.037 0.075 0.000 0.750 457 A CB -0.394 18.642 19.000 0.061 0.000 0.780 457 A HN 0.494 nan 8.150 nan 0.000 0.478 458 T N -5.527 109.090 114.554 0.105 0.000 3.252 458 T HA 0.249 4.600 4.350 0.001 0.000 0.286 458 T C 0.927 175.725 174.700 0.162 0.000 1.013 458 T CA 0.231 62.398 62.100 0.111 0.000 0.914 458 T CB -0.274 68.648 68.868 0.090 0.000 1.131 458 T HN 0.445 nan 8.240 nan 0.000 0.529 459 H N 0.909 120.000 119.070 0.035 0.000 2.388 459 H HA 0.458 5.015 4.556 0.001 0.000 0.304 459 H C 1.651 177.027 175.328 0.079 0.000 1.049 459 H CA 0.700 56.744 56.048 -0.006 0.000 1.371 459 H CB -0.105 29.594 29.762 -0.106 0.000 1.436 459 H HN 0.294 nan 8.280 nan 0.000 0.544 460 I N -0.114 120.494 120.570 0.064 0.000 2.072 460 I HA -0.124 4.047 4.170 0.001 0.000 0.235 460 I C 1.733 177.917 176.117 0.112 0.000 1.058 460 I CA 1.438 62.782 61.300 0.074 0.000 1.320 460 I CB -0.453 37.600 38.000 0.089 0.000 1.047 460 I HN 0.396 nan 8.210 nan 0.000 0.397 461 G N 0.709 109.557 108.800 0.079 0.000 3.471 461 G HA2 -0.001 3.960 3.960 0.001 0.000 0.254 461 G HA3 -0.001 3.960 3.960 0.001 0.000 0.254 461 G C 1.090 176.038 174.900 0.079 0.000 1.199 461 G CA -0.159 44.981 45.100 0.067 0.000 1.683 461 G HN 0.256 nan 8.290 nan 0.000 0.625 462 K N -0.470 120.005 120.400 0.126 0.000 1.991 462 K HA 0.074 4.395 4.320 0.001 0.000 0.212 462 K C 0.514 177.162 176.600 0.081 0.000 1.049 462 K CA 0.894 57.256 56.287 0.124 0.000 0.932 462 K CB -0.031 32.589 32.500 0.201 0.000 0.717 462 K HN 0.290 nan 8.250 nan 0.000 0.441 463 L N 1.355 122.639 121.223 0.102 0.000 2.491 463 L HA 0.376 4.717 4.340 0.001 0.000 0.267 463 L C -1.545 175.376 176.870 0.085 0.000 0.971 463 L CA -0.484 54.405 54.840 0.081 0.000 0.857 463 L CB 1.630 43.718 42.059 0.049 0.000 1.226 463 L HN 0.099 nan 8.230 nan 0.000 0.408 464 I N 5.044 125.593 120.570 -0.034 0.000 2.328 464 I HA 0.385 4.556 4.170 0.001 0.000 0.287 464 I C -0.258 175.784 176.117 -0.126 0.000 1.012 464 I CA -0.423 60.776 61.300 -0.169 0.000 1.195 464 I CB 1.866 39.706 38.000 -0.268 0.000 1.350 464 I HN 0.207 nan 8.210 nan 0.000 0.464 465 V N 5.355 125.187 119.914 -0.137 0.000 2.815 465 V HA 0.659 4.780 4.120 0.001 0.000 0.314 465 V C -0.201 175.844 176.094 -0.082 0.000 1.064 465 V CA -0.129 62.094 62.300 -0.128 0.000 0.952 465 V CB 2.608 34.325 31.823 -0.176 0.000 1.020 465 V HN 0.787 nan 8.190 nan 0.000 0.439 466 T N 3.170 117.711 114.554 -0.022 0.000 2.841 466 T HA 0.414 4.765 4.350 0.001 0.000 0.296 466 T C -0.702 174.179 174.700 0.303 0.000 1.166 466 T CA -0.617 61.547 62.100 0.108 0.000 1.007 466 T CB 1.676 70.523 68.868 -0.034 0.000 1.253 466 T HN 0.834 nan 8.240 nan 0.000 0.511 467 K N 1.341 121.951 120.400 0.349 0.000 2.276 467 K HA 0.280 4.601 4.320 0.001 0.000 0.259 467 K C 0.213 176.944 176.600 0.219 0.000 1.001 467 K CA -0.325 56.178 56.287 0.361 0.000 0.927 467 K CB 0.426 33.018 32.500 0.152 0.000 0.969 467 K HN 0.706 nan 8.250 nan 0.000 0.490 468 Q N 2.254 122.157 119.800 0.172 0.000 2.205 468 Q HA 0.198 4.539 4.340 0.001 0.000 0.249 468 Q C 0.812 176.847 176.000 0.059 0.000 0.948 468 Q CA -0.630 55.233 55.803 0.101 0.000 0.895 468 Q CB 1.209 29.986 28.738 0.065 0.000 1.249 468 Q HN 0.668 nan 8.270 nan 0.000 0.458 469 I N 1.337 121.918 120.570 0.018 0.000 2.286 469 I HA -0.229 3.942 4.170 0.001 0.000 0.248 469 I C 1.761 177.846 176.117 -0.054 0.000 1.115 469 I CA 1.570 62.827 61.300 -0.072 0.000 1.392 469 I CB -0.610 37.333 38.000 -0.096 0.000 1.065 469 I HN 0.992 nan 8.210 nan 0.000 0.418 470 G N 0.049 108.835 108.800 -0.024 0.000 2.707 470 G HA2 0.102 4.063 3.960 0.001 0.000 0.204 470 G HA3 0.102 4.063 3.960 0.001 0.000 0.204 470 G C 0.875 175.768 174.900 -0.012 0.000 1.435 470 G CA 0.690 45.776 45.100 -0.023 0.000 0.890 470 G HN 0.464 nan 8.290 nan 0.000 0.552 471 G N -0.926 107.873 108.800 -0.002 0.000 3.075 471 G HA2 0.388 4.349 3.960 0.001 0.000 0.156 471 G HA3 0.388 4.349 3.960 0.001 0.000 0.156 471 G C -0.091 174.830 174.900 0.035 0.000 1.403 471 G CA 0.329 45.431 45.100 0.003 0.000 1.033 471 G HN 0.237 nan 8.290 nan 0.000 0.589 472 D N 0.501 120.924 120.400 0.039 0.000 2.358 472 D HA 0.216 4.857 4.640 0.001 0.000 0.224 472 D C 1.213 177.599 176.300 0.142 0.000 1.123 472 D CA 0.002 54.039 54.000 0.063 0.000 0.833 472 D CB 0.150 40.969 40.800 0.031 0.000 0.946 472 D HN 0.343 nan 8.370 nan 0.000 0.505 473 G N 0.853 109.729 108.800 0.126 0.000 2.616 473 G HA2 0.449 4.409 3.960 0.001 0.000 0.268 473 G HA3 0.449 4.409 3.960 0.001 0.000 0.268 473 G C 0.354 175.378 174.900 0.206 0.000 1.213 473 G CA -0.638 44.543 45.100 0.135 0.000 0.926 473 G HN 0.166 nan 8.290 nan 0.000 0.523 474 M N -0.542 119.062 119.600 0.007 0.000 2.494 474 M HA 0.791 5.272 4.480 0.001 0.000 0.300 474 M C -0.461 175.768 176.300 -0.118 0.000 1.189 474 M CA -0.621 54.543 55.300 -0.226 0.000 0.982 474 M CB 1.936 34.033 32.600 -0.839 0.000 1.534 474 M HN 0.418 nan 8.290 nan 0.000 0.488 475 M N 2.423 121.954 119.600 -0.114 0.000 2.183 475 M HA 0.274 4.755 4.480 0.001 0.000 0.277 475 M C -1.804 174.446 176.300 -0.084 0.000 0.995 475 M CA -0.529 54.736 55.300 -0.059 0.000 0.969 475 M CB 1.742 34.346 32.600 0.008 0.000 1.659 475 M HN 0.873 nan 8.290 nan 0.000 0.462 476 D N 5.507 125.860 120.400 -0.078 0.000 2.325 476 D HA 0.246 4.887 4.640 0.001 0.000 0.251 476 D C 0.467 176.750 176.300 -0.028 0.000 1.196 476 D CA -0.039 53.922 54.000 -0.066 0.000 0.866 476 D CB 0.654 41.418 40.800 -0.060 0.000 1.101 476 D HN 0.751 nan 8.370 nan 0.000 0.476 477 I N 0.489 121.046 120.570 -0.021 0.000 4.009 477 I HA 0.114 4.285 4.170 0.001 0.000 0.331 477 I C 1.155 177.316 176.117 0.073 0.000 1.462 477 I CA -0.496 60.815 61.300 0.019 0.000 1.117 477 I CB 0.293 38.295 38.000 0.003 0.000 1.091 477 I HN 0.032 nan 8.210 nan 0.000 0.410 478 T N 1.903 116.482 114.554 0.043 0.000 2.760 478 T HA -0.225 4.126 4.350 0.001 0.000 0.269 478 T C 1.453 176.208 174.700 0.091 0.000 1.047 478 T CA 2.260 64.399 62.100 0.065 0.000 1.139 478 T CB -0.554 68.333 68.868 0.031 0.000 0.855 478 T HN 0.704 nan 8.240 nan 0.000 0.471 479 D N 1.466 121.901 120.400 0.059 0.000 2.363 479 D HA -0.063 4.578 4.640 0.001 0.000 0.226 479 D C 1.679 177.977 176.300 -0.004 0.000 1.020 479 D CA 1.111 55.126 54.000 0.026 0.000 0.892 479 D CB -0.346 40.471 40.800 0.029 0.000 0.900 479 D HN 0.558 nan 8.370 nan 0.000 0.531 480 T N -2.722 111.866 114.554 0.058 0.000 3.033 480 T HA -0.027 4.323 4.350 0.001 0.000 0.248 480 T C 1.792 176.465 174.700 -0.045 0.000 1.040 480 T CA 0.191 62.293 62.100 0.004 0.000 1.133 480 T CB -0.631 68.241 68.868 0.007 0.000 0.895 480 T HN 0.058 nan 8.240 nan 0.000 0.465 481 Y N 2.907 123.209 120.300 0.003 0.000 2.397 481 Y HA 0.332 4.883 4.550 0.001 0.000 0.292 481 Y C 1.040 176.912 175.900 -0.047 0.000 1.115 481 Y CA 0.064 58.180 58.100 0.026 0.000 1.208 481 Y CB 0.256 38.760 38.460 0.073 0.000 1.046 481 Y HN 0.345 nan 8.280 nan 0.000 0.552 482 K N -1.683 118.754 120.400 0.062 0.000 2.532 482 K HA 0.368 4.689 4.320 0.001 0.000 0.265 482 K C -1.362 175.199 176.600 -0.065 0.000 0.948 482 K CA -0.810 55.465 56.287 -0.020 0.000 0.842 482 K CB 1.306 33.824 32.500 0.030 0.000 1.392 482 K HN -0.230 nan 8.250 nan 0.000 0.436 483 F N 1.025 121.002 119.950 0.044 0.000 2.239 483 F HA 0.141 4.669 4.527 0.001 0.000 0.288 483 F C 1.275 177.091 175.800 0.026 0.000 1.225 483 F CA -0.026 57.989 58.000 0.026 0.000 1.162 483 F CB 0.404 39.404 39.000 0.000 0.000 1.484 483 F HN 0.349 nan 8.300 nan 0.000 0.512 484 Q N 0.973 120.941 119.800 0.280 0.000 2.327 484 Q HA 0.013 4.354 4.340 0.001 0.000 0.254 484 Q C -0.206 175.858 176.000 0.107 0.000 0.952 484 Q CA -0.243 55.647 55.803 0.144 0.000 0.884 484 Q CB 0.843 29.645 28.738 0.107 0.000 1.224 484 Q HN 0.387 nan 8.270 nan 0.000 0.422 485 E N 0.948 121.195 120.200 0.079 0.000 2.606 485 E HA -0.031 4.320 4.350 0.001 0.000 0.248 485 E C 0.033 176.660 176.600 0.046 0.000 1.005 485 E CA 0.805 57.242 56.400 0.062 0.000 0.946 485 E CB -0.100 29.632 29.700 0.053 0.000 0.928 485 E HN 0.788 nan 8.360 nan 0.000 0.494 486 G N 4.507 113.332 108.800 0.042 0.000 2.350 486 G HA2 -0.308 3.653 3.960 0.001 0.000 0.298 486 G HA3 -0.308 3.653 3.960 0.001 0.000 0.298 486 G C 0.010 174.917 174.900 0.012 0.000 1.037 486 G CA 0.759 45.874 45.100 0.026 0.000 1.074 486 G HN 0.552 nan 8.290 nan 0.000 0.511 487 Q N -1.044 118.757 119.800 0.002 0.000 2.347 487 Q HA 0.392 4.733 4.340 0.001 0.000 0.271 487 Q C 1.094 177.048 176.000 -0.076 0.000 1.064 487 Q CA -1.015 54.770 55.803 -0.030 0.000 0.800 487 Q CB 1.150 29.875 28.738 -0.022 0.000 1.304 487 Q HN 0.125 nan 8.270 nan 0.000 0.438 488 E N 1.722 121.868 120.200 -0.090 0.000 2.136 488 E HA -0.308 4.043 4.350 0.001 0.000 0.208 488 E C 1.382 177.857 176.600 -0.208 0.000 1.035 488 E CA 2.110 58.439 56.400 -0.118 0.000 0.838 488 E CB 0.258 29.900 29.700 -0.097 0.000 0.748 488 E HN 0.699 nan 8.360 nan 0.000 0.459 489 E N 0.565 120.539 120.200 -0.376 0.000 2.118 489 E HA -0.221 4.129 4.350 0.001 0.000 0.195 489 E C 1.903 178.137 176.600 -0.610 0.000 0.992 489 E CA 1.108 57.060 56.400 -0.746 0.000 0.804 489 E CB -0.471 28.334 29.700 -1.493 0.000 0.741 489 E HN 0.369 nan 8.360 nan 0.000 0.458 490 E N 1.308 121.323 120.200 -0.308 0.000 2.274 490 E HA -0.129 4.222 4.350 0.001 0.000 0.194 490 E C 2.149 178.768 176.600 0.032 0.000 0.996 490 E CA 0.233 56.655 56.400 0.037 0.000 0.840 490 E CB 0.000 29.767 29.700 0.112 0.000 0.772 490 E HN 0.162 nan 8.360 nan 0.000 0.491 491 R N 0.154 120.633 120.500 -0.034 0.000 2.093 491 R HA -0.026 4.315 4.340 0.001 0.000 0.224 491 R C 2.391 178.686 176.300 -0.009 0.000 1.101 491 R CA 0.359 56.453 56.100 -0.010 0.000 0.979 491 R CB 0.005 30.289 30.300 -0.027 0.000 0.877 491 R HN 0.229 nan 8.270 nan 0.000 0.441 492 L N 0.373 121.569 121.223 -0.044 0.000 2.044 492 L HA -0.063 4.278 4.340 0.001 0.000 0.205 492 L C 2.537 179.415 176.870 0.014 0.000 1.075 492 L CA 1.758 56.578 54.840 -0.033 0.000 0.747 492 L CB -1.379 40.642 42.059 -0.064 0.000 0.903 492 L HN 0.181 nan 8.230 nan 0.000 0.435 493 A N 0.037 122.902 122.820 0.074 0.000 1.859 493 A HA -0.282 4.039 4.320 0.001 0.000 0.217 493 A C 2.340 180.043 177.584 0.199 0.000 1.198 493 A CA 2.060 54.215 52.037 0.198 0.000 0.629 493 A CB -1.029 18.206 19.000 0.392 0.000 0.830 493 A HN 0.371 nan 8.150 nan 0.000 0.446 494 L N -0.749 120.608 121.223 0.223 0.000 2.081 494 L HA -0.222 4.118 4.340 0.001 0.000 0.212 494 L C 2.571 179.490 176.870 0.081 0.000 1.080 494 L CA 2.100 57.082 54.840 0.238 0.000 0.754 494 L CB -0.232 41.936 42.059 0.183 0.000 0.893 494 L HN 0.562 nan 8.230 nan 0.000 0.433 495 E N -1.493 118.718 120.200 0.019 0.000 2.152 495 E HA -0.164 4.187 4.350 0.001 0.000 0.192 495 E C 1.873 178.400 176.600 -0.122 0.000 0.983 495 E CA 1.394 57.767 56.400 -0.046 0.000 0.818 495 E CB 0.157 29.831 29.700 -0.044 0.000 0.758 495 E HN 0.518 nan 8.360 nan 0.000 0.467 496 T N 0.566 115.041 114.554 -0.131 0.000 2.821 496 T HA -0.087 4.264 4.350 0.001 0.000 0.267 496 T C 1.876 176.383 174.700 -0.323 0.000 1.046 496 T CA 0.966 62.911 62.100 -0.258 0.000 1.139 496 T CB -0.153 68.585 68.868 -0.217 0.000 0.871 496 T HN 0.219 nan 8.240 nan 0.000 0.454 497 A N 1.985 124.650 122.820 -0.259 0.000 1.841 497 A HA -0.051 4.270 4.320 0.001 0.000 0.216 497 A C 2.262 179.661 177.584 -0.308 0.000 1.199 497 A CA 1.410 53.195 52.037 -0.420 0.000 0.621 497 A CB -1.134 17.383 19.000 -0.805 0.000 0.835 497 A HN 0.475 nan 8.150 nan 0.000 0.445 498 L N -1.256 119.837 121.223 -0.218 0.000 2.270 498 L HA -0.232 4.109 4.340 0.001 0.000 0.217 498 L C 2.734 179.487 176.870 -0.194 0.000 1.107 498 L CA 1.606 56.348 54.840 -0.164 0.000 0.772 498 L CB -0.437 41.560 42.059 -0.102 0.000 0.902 498 L HN 0.555 nan 8.230 nan 0.000 0.439 499 M N -1.502 117.923 119.600 -0.293 0.000 2.447 499 M HA -0.107 4.374 4.480 0.001 0.000 0.264 499 M C 0.425 176.502 176.300 -0.371 0.000 1.095 499 M CA 1.216 56.290 55.300 -0.376 0.000 1.125 499 M CB 0.394 32.666 32.600 -0.547 0.000 1.389 499 M HN 0.112 nan 8.290 nan 0.000 0.459 500 Y N -0.414 119.782 120.300 -0.174 0.000 2.774 500 Y HA 0.436 4.987 4.550 0.001 0.000 0.305 500 Y C 1.103 176.881 175.900 -0.203 0.000 1.067 500 Y CA -0.053 57.932 58.100 -0.192 0.000 1.304 500 Y CB -0.010 38.307 38.460 -0.237 0.000 1.209 500 Y HN 0.392 nan 8.280 nan 0.000 0.543 501 G N -0.334 108.425 108.800 -0.068 0.000 2.491 501 G HA2 -0.148 3.813 3.960 0.001 0.000 0.203 501 G HA3 -0.148 3.813 3.960 0.001 0.000 0.203 501 G C 0.579 175.382 174.900 -0.161 0.000 1.052 501 G CA -0.415 44.619 45.100 -0.109 0.000 0.675 501 G HN 0.591 nan 8.290 nan 0.000 0.504 502 A N 1.614 124.306 122.820 -0.212 0.000 2.483 502 A HA 0.543 4.864 4.320 0.001 0.000 0.238 502 A C 0.617 178.123 177.584 -0.129 0.000 1.070 502 A CA 1.317 53.230 52.037 -0.206 0.000 0.770 502 A CB 0.178 19.024 19.000 -0.256 0.000 1.008 502 A HN 1.195 nan 8.150 nan 0.000 0.497 503 K N 1.151 121.495 120.400 -0.093 0.000 2.395 503 K HA 0.625 4.946 4.320 0.001 0.000 0.247 503 K C -1.448 175.133 176.600 -0.032 0.000 0.973 503 K CA -0.866 55.385 56.287 -0.060 0.000 0.828 503 K CB 1.905 34.371 32.500 -0.056 0.000 1.272 503 K HN 0.515 nan 8.250 nan 0.000 0.439 504 K N 2.057 122.442 120.400 -0.024 0.000 2.572 504 K HA 0.246 4.567 4.320 0.001 0.000 0.244 504 K C -2.229 174.362 176.600 -0.014 0.000 0.965 504 K CA -1.748 54.531 56.287 -0.013 0.000 0.943 504 K CB 1.788 34.284 32.500 -0.005 0.000 1.154 504 K HN 0.368 nan 8.250 nan 0.000 0.447 505 P HA -0.131 nan 4.420 nan 0.000 0.211 505 P C -0.016 177.280 177.300 -0.007 0.000 1.179 505 P CA 0.833 63.926 63.100 -0.011 0.000 0.910 505 P CB 0.325 32.018 31.700 -0.011 0.000 0.785 506 L N -0.263 120.955 121.223 -0.008 0.000 2.375 506 L HA 0.230 4.571 4.340 0.001 0.000 0.271 506 L C 0.598 177.468 176.870 -0.000 0.000 1.107 506 L CA -0.685 54.154 54.840 -0.003 0.000 0.806 506 L CB 0.306 42.361 42.059 -0.006 0.000 1.146 506 L HN -0.000 nan 8.230 nan 0.000 0.447 507 N N 0.014 118.717 118.700 0.005 0.000 2.443 507 N HA 0.149 4.890 4.740 0.001 0.000 0.295 507 N C 0.202 175.718 175.510 0.010 0.000 1.076 507 N CA -0.399 52.655 53.050 0.006 0.000 0.919 507 N CB 1.745 40.235 38.487 0.005 0.000 1.176 507 N HN 0.616 nan 8.380 nan 0.000 0.487 508 T N -0.246 114.315 114.554 0.012 0.000 3.312 508 T HA 0.161 4.512 4.350 0.001 0.000 0.251 508 T C 0.154 174.864 174.700 0.016 0.000 1.012 508 T CA -0.414 61.696 62.100 0.016 0.000 0.925 508 T CB -0.370 68.510 68.868 0.019 0.000 1.049 508 T HN 0.614 nan 8.240 nan 0.000 0.583 509 E N 0.234 120.442 120.200 0.014 0.000 4.619 509 E HA -0.222 4.129 4.350 0.001 0.000 0.199 509 E C 1.298 177.905 176.600 0.011 0.000 1.490 509 E CA 1.037 57.445 56.400 0.012 0.000 2.467 509 E CB -1.466 28.243 29.700 0.014 0.000 2.095 509 E HN 0.475 nan 8.360 nan 0.000 0.456 510 G N -0.337 108.469 108.800 0.010 0.000 2.421 510 G HA2 0.189 4.150 3.960 0.001 0.000 0.217 510 G HA3 0.189 4.150 3.960 0.001 0.000 0.217 510 G C 0.637 175.544 174.900 0.011 0.000 1.143 510 G CA 1.486 46.592 45.100 0.009 0.000 0.784 510 G HN 0.221 nan 8.290 nan 0.000 0.541 511 V N -1.372 118.549 119.914 0.013 0.000 3.156 511 V HA 0.526 4.646 4.120 0.001 0.000 0.306 511 V C -0.701 175.403 176.094 0.016 0.000 1.468 511 V CA -0.248 62.061 62.300 0.015 0.000 1.047 511 V CB 1.985 33.816 31.823 0.013 0.000 1.078 511 V HN 0.280 nan 8.190 nan 0.000 0.468 512 M N -0.454 119.156 119.600 0.017 0.000 4.369 512 M HA 0.603 5.084 4.480 0.001 0.000 0.576 512 M C -0.682 175.626 176.300 0.014 0.000 1.928 512 M CA -0.157 55.154 55.300 0.018 0.000 0.607 512 M CB -0.072 32.542 32.600 0.024 0.000 1.601 512 M HN 0.531 nan 8.290 nan 0.000 0.627 513 K N -1.160 119.246 120.400 0.010 0.000 3.040 513 K HA 0.550 4.871 4.320 0.001 0.000 0.300 513 K C -0.837 175.764 176.600 0.001 0.000 1.092 513 K CA 0.545 56.832 56.287 0.001 0.000 0.831 513 K CB 0.549 33.047 32.500 -0.002 0.000 1.469 513 K HN -0.058 nan 8.250 nan 0.000 0.365 514 S N 0.111 115.807 115.700 -0.006 0.000 2.546 514 S HA 0.094 4.565 4.470 0.001 0.000 0.282 514 S C 0.169 174.765 174.600 -0.008 0.000 1.074 514 S CA 0.791 58.991 58.200 -0.000 0.000 1.254 514 S CB -0.081 63.122 63.200 0.005 0.000 1.103 514 S HN 0.750 nan 8.310 nan 0.000 0.589 515 R N 1.183 121.666 120.500 -0.029 0.000 3.989 515 R HA -0.178 4.163 4.340 0.001 0.000 0.335 515 R C 0.146 176.411 176.300 -0.058 0.000 1.223 515 R CA 1.257 57.327 56.100 -0.050 0.000 0.962 515 R CB -3.195 27.088 30.300 -0.028 0.000 1.393 515 R HN 0.658 nan 8.270 nan 0.000 0.554 516 S N 0.162 115.840 115.700 -0.036 0.000 3.473 516 S HA -0.239 4.232 4.470 0.001 0.000 0.339 516 S C 0.439 175.080 174.600 0.068 0.000 1.148 516 S CA 1.215 59.422 58.200 0.012 0.000 0.969 516 S CB -1.424 61.736 63.200 -0.067 0.000 0.936 516 S HN 0.755 nan 8.310 nan 0.000 0.530 517 N N -1.502 117.228 118.700 0.050 0.000 2.708 517 N HA -0.195 4.545 4.740 0.001 0.000 0.249 517 N C -0.345 175.230 175.510 0.109 0.000 1.097 517 N CA 1.005 54.098 53.050 0.071 0.000 0.710 517 N CB -0.907 37.622 38.487 0.070 0.000 1.032 517 N HN 0.481 nan 8.380 nan 0.000 0.551 518 V N 1.177 121.151 119.914 0.100 0.000 2.299 518 V HA 0.098 4.219 4.120 0.001 0.000 0.255 518 V C 0.655 176.827 176.094 0.130 0.000 1.100 518 V CA -0.277 62.112 62.300 0.149 0.000 0.938 518 V CB 1.074 32.966 31.823 0.115 0.000 1.139 518 V HN 0.117 nan 8.190 nan 0.000 0.490 519 D N 4.097 124.579 120.400 0.138 0.000 2.344 519 D HA 0.395 5.035 4.640 0.001 0.000 0.244 519 D C -0.399 175.940 176.300 0.064 0.000 1.134 519 D CA -0.151 53.898 54.000 0.081 0.000 0.930 519 D CB 1.495 42.329 40.800 0.057 0.000 1.175 519 D HN 0.392 nan 8.370 nan 0.000 0.437 520 M N 1.875 121.464 119.600 -0.018 0.000 2.531 520 M HA 0.326 4.807 4.480 0.001 0.000 0.286 520 M C -2.182 174.065 176.300 -0.089 0.000 1.232 520 M CA -0.515 54.695 55.300 -0.150 0.000 0.877 520 M CB 2.351 34.839 32.600 -0.187 0.000 1.726 520 M HN 0.423 nan 8.290 nan 0.000 0.463 521 D N 2.236 122.578 120.400 -0.096 0.000 2.751 521 D HA 0.479 5.120 4.640 0.001 0.000 0.236 521 D C -2.019 174.353 176.300 0.119 0.000 1.196 521 D CA -0.322 53.697 54.000 0.032 0.000 0.741 521 D CB 1.250 42.038 40.800 -0.021 0.000 1.474 521 D HN 0.468 nan 8.370 nan 0.000 0.452 522 F N 0.286 120.174 119.950 -0.104 0.000 2.629 522 F HA 0.849 5.377 4.527 0.001 0.000 0.316 522 F C -1.282 174.481 175.800 -0.061 0.000 1.081 522 F CA -0.978 56.966 58.000 -0.093 0.000 0.954 522 F CB 1.355 40.297 39.000 -0.098 0.000 1.337 522 F HN 0.324 nan 8.300 nan 0.000 0.474 523 E N 0.795 121.008 120.200 0.021 0.000 2.272 523 E HA 0.681 5.032 4.350 0.001 0.000 0.269 523 E C -2.092 174.507 176.600 -0.002 0.000 0.877 523 E CA -1.166 55.181 56.400 -0.087 0.000 0.755 523 E CB 2.458 32.128 29.700 -0.050 0.000 1.192 523 E HN 0.560 nan 8.360 nan 0.000 0.422 524 V N 2.678 122.569 119.914 -0.039 0.000 2.459 524 V HA 0.241 4.362 4.120 0.001 0.000 0.295 524 V C 0.098 176.227 176.094 0.057 0.000 1.029 524 V CA -0.795 61.525 62.300 0.033 0.000 0.874 524 V CB 1.098 32.920 31.823 -0.001 0.000 0.985 524 V HN 0.869 nan 8.190 nan 0.000 0.438 525 E N 3.618 123.895 120.200 0.129 0.000 2.349 525 E HA 0.358 4.709 4.350 0.001 0.000 0.262 525 E C -0.705 175.917 176.600 0.038 0.000 1.088 525 E CA -0.758 55.696 56.400 0.091 0.000 0.899 525 E CB 0.644 30.422 29.700 0.130 0.000 1.044 525 E HN 0.767 nan 8.360 nan 0.000 0.420 526 N N 0.965 119.635 118.700 -0.050 0.000 2.417 526 N HA 0.451 5.191 4.740 0.001 0.000 0.274 526 N C -1.084 174.333 175.510 -0.155 0.000 0.987 526 N CA -0.721 52.221 53.050 -0.180 0.000 0.912 526 N CB 2.017 40.422 38.487 -0.137 0.000 1.177 526 N HN 0.683 nan 8.380 nan 0.000 0.490 527 A N 1.679 124.328 122.820 -0.285 0.000 2.246 527 A HA 0.636 4.956 4.320 0.001 0.000 0.291 527 A C 0.042 177.573 177.584 -0.088 0.000 1.103 527 A CA -0.673 51.306 52.037 -0.098 0.000 0.844 527 A CB 0.519 19.521 19.000 0.003 0.000 1.136 527 A HN 0.504 nan 8.150 nan 0.000 0.500 528 V N 0.956 120.868 119.914 -0.003 0.000 3.036 528 V HA 0.168 4.288 4.120 0.001 0.000 0.308 528 V C 0.624 176.745 176.094 0.045 0.000 1.070 528 V CA -0.770 61.535 62.300 0.008 0.000 1.056 528 V CB 1.463 33.302 31.823 0.026 0.000 1.084 528 V HN 0.785 nan 8.190 nan 0.000 0.471 529 L N 2.972 124.226 121.223 0.050 0.000 2.578 529 L HA 0.169 4.510 4.340 0.001 0.000 0.279 529 L C 1.251 178.210 176.870 0.149 0.000 1.227 529 L CA 1.851 56.752 54.840 0.103 0.000 0.900 529 L CB -0.424 41.682 42.059 0.079 0.000 1.144 529 L HN 1.068 nan 8.230 nan 0.000 0.496 530 G N 3.980 112.935 108.800 0.259 0.000 2.143 530 G HA2 -0.289 3.672 3.960 0.001 0.000 0.248 530 G HA3 -0.289 3.672 3.960 0.001 0.000 0.248 530 G C 0.366 175.354 174.900 0.147 0.000 0.991 530 G CA 0.596 45.785 45.100 0.148 0.000 0.689 530 G HN 0.635 nan 8.290 nan 0.000 0.522 531 K N 0.166 120.724 120.400 0.264 0.000 2.208 531 K HA 0.526 4.847 4.320 0.001 0.000 0.247 531 K C -0.732 176.095 176.600 0.378 0.000 0.953 531 K CA -1.045 55.380 56.287 0.230 0.000 0.837 531 K CB 1.096 33.702 32.500 0.177 0.000 1.131 531 K HN 0.067 nan 8.250 nan 0.000 0.431 532 D N 1.263 121.829 120.400 0.276 0.000 2.339 532 D HA 0.341 4.982 4.640 0.001 0.000 0.245 532 D C -0.440 176.085 176.300 0.375 0.000 1.115 532 D CA 0.180 54.355 54.000 0.292 0.000 0.917 532 D CB 0.401 41.279 40.800 0.131 0.000 1.192 532 D HN 0.297 nan 8.370 nan 0.000 0.428 533 F N -2.308 117.726 119.950 0.141 0.000 2.745 533 F HA 0.600 5.128 4.527 0.001 0.000 0.316 533 F C -1.160 174.680 175.800 0.068 0.000 1.155 533 F CA -1.232 56.822 58.000 0.091 0.000 0.937 533 F CB 1.220 40.271 39.000 0.085 0.000 1.361 533 F HN -0.049 nan 8.300 nan 0.000 0.472 534 K N 1.363 121.778 120.400 0.025 0.000 2.267 534 K HA 0.737 5.058 4.320 0.001 0.000 0.246 534 K C -1.807 174.777 176.600 -0.026 0.000 0.954 534 K CA -0.980 55.244 56.287 -0.106 0.000 0.824 534 K CB 2.904 35.385 32.500 -0.031 0.000 1.167 534 K HN 0.799 nan 8.250 nan 0.000 0.431 535 L N 0.458 121.606 121.223 -0.124 0.000 2.346 535 L HA 0.458 4.799 4.340 0.001 0.000 0.274 535 L C -1.209 175.635 176.870 -0.044 0.000 1.007 535 L CA -0.196 54.594 54.840 -0.084 0.000 0.818 535 L CB 1.946 43.858 42.059 -0.244 0.000 1.284 535 L HN 0.550 nan 8.230 nan 0.000 0.424 536 S N 5.492 121.216 115.700 0.039 0.000 2.774 536 S HA 0.547 5.018 4.470 0.001 0.000 0.297 536 S C -0.609 174.041 174.600 0.083 0.000 1.143 536 S CA -0.446 57.773 58.200 0.031 0.000 1.090 536 S CB 0.823 64.038 63.200 0.026 0.000 1.019 536 S HN 0.418 nan 8.310 nan 0.000 0.482 537 I N 2.830 123.422 120.570 0.036 0.000 2.499 537 I HA 0.560 4.730 4.170 0.001 0.000 0.296 537 I C 0.871 176.960 176.117 -0.046 0.000 0.992 537 I CA -0.162 61.136 61.300 -0.003 0.000 1.297 537 I CB 1.300 39.252 38.000 -0.081 0.000 1.410 537 I HN 0.621 nan 8.210 nan 0.000 0.507 538 T N 1.103 115.548 114.554 -0.181 0.000 2.916 538 T HA 0.790 5.140 4.350 0.001 0.000 0.292 538 T C -0.903 173.582 174.700 -0.359 0.000 1.064 538 T CA -0.710 61.332 62.100 -0.097 0.000 1.011 538 T CB 1.316 70.184 68.868 0.000 0.000 1.152 538 T HN 0.195 nan 8.240 nan 0.000 0.510 539 F N -0.080 119.952 119.950 0.137 0.000 2.561 539 F HA 0.686 5.213 4.527 0.001 0.000 0.313 539 F C 0.167 176.122 175.800 0.259 0.000 1.126 539 F CA -0.992 57.098 58.000 0.151 0.000 0.918 539 F CB 2.478 41.550 39.000 0.120 0.000 1.199 539 F HN 0.423 nan 8.300 nan 0.000 0.444 540 R N 1.438 122.200 120.500 0.435 0.000 2.445 540 R HA 0.413 4.754 4.340 0.001 0.000 0.308 540 R C -0.926 175.625 176.300 0.418 0.000 0.961 540 R CA -0.772 55.700 56.100 0.620 0.000 0.862 540 R CB 1.125 31.650 30.300 0.375 0.000 1.144 540 R HN 0.408 nan 8.270 nan 0.000 0.447 541 N N 2.035 120.906 118.700 0.285 0.000 2.626 541 N HA 0.138 4.879 4.740 0.001 0.000 0.242 541 N C -0.689 174.895 175.510 0.124 0.000 1.005 541 N CA -0.226 52.907 53.050 0.139 0.000 0.905 541 N CB 0.674 39.165 38.487 0.007 0.000 1.128 541 N HN 0.471 nan 8.380 nan 0.000 0.512 542 N N 0.497 119.315 118.700 0.195 0.000 2.434 542 N HA -0.024 4.717 4.740 0.001 0.000 0.196 542 N C -0.250 175.295 175.510 0.058 0.000 1.183 542 N CA 0.164 53.308 53.050 0.156 0.000 0.849 542 N CB 0.178 38.748 38.487 0.138 0.000 0.992 542 N HN 0.544 nan 8.380 nan 0.000 0.460 543 S N -1.387 114.346 115.700 0.056 0.000 2.568 543 S HA 0.312 4.783 4.470 0.001 0.000 0.302 543 S C -0.257 174.356 174.600 0.023 0.000 1.082 543 S CA -0.764 57.455 58.200 0.030 0.000 1.009 543 S CB 1.266 64.531 63.200 0.109 0.000 1.069 543 S HN 0.209 nan 8.310 nan 0.000 0.500 544 H N 2.315 121.377 119.070 -0.013 0.000 3.220 544 H HA 0.340 4.897 4.556 0.001 0.000 0.225 544 H C 0.132 175.412 175.328 -0.081 0.000 1.869 544 H CA -0.070 55.952 56.048 -0.043 0.000 1.428 544 H CB -0.196 29.551 29.762 -0.025 0.000 1.792 544 H HN 0.500 nan 8.280 nan 0.000 0.595 545 N N 1.063 119.748 118.700 -0.026 0.000 2.961 545 N HA 0.162 4.903 4.740 0.001 0.000 0.245 545 N C -1.762 173.553 175.510 -0.324 0.000 1.404 545 N CA -0.744 52.185 53.050 -0.202 0.000 0.880 545 N CB 1.947 40.275 38.487 -0.266 0.000 1.461 545 N HN 0.274 nan 8.380 nan 0.000 0.510 546 R N 2.141 122.359 120.500 -0.470 0.000 2.534 546 R HA 0.443 4.784 4.340 0.001 0.000 0.301 546 R C -1.412 174.532 176.300 -0.593 0.000 0.961 546 R CA -0.108 55.756 56.100 -0.392 0.000 0.871 546 R CB 0.528 30.697 30.300 -0.217 0.000 1.170 546 R HN 0.588 nan 8.270 nan 0.000 0.446 547 Y N -0.151 120.123 120.300 -0.042 0.000 2.693 547 Y HA 0.515 5.066 4.550 0.001 0.000 0.331 547 Y C 0.070 175.928 175.900 -0.070 0.000 1.092 547 Y CA -0.661 57.412 58.100 -0.046 0.000 1.131 547 Y CB 2.329 40.768 38.460 -0.035 0.000 1.318 547 Y HN 0.427 nan 8.280 nan 0.000 0.510 548 T N 2.435 117.084 114.554 0.159 0.000 2.916 548 T HA 0.730 5.080 4.350 0.001 0.000 0.298 548 T C -0.769 173.908 174.700 -0.038 0.000 1.031 548 T CA -0.531 61.578 62.100 0.014 0.000 0.993 548 T CB 1.058 69.930 68.868 0.006 0.000 1.045 548 T HN 0.368 nan 8.240 nan 0.000 0.454 549 I N 1.068 121.564 120.570 -0.124 0.000 3.294 549 I HA 0.707 4.878 4.170 0.001 0.000 0.311 549 I C -0.538 175.449 176.117 -0.216 0.000 1.111 549 I CA -1.174 60.024 61.300 -0.171 0.000 0.976 549 I CB 2.750 40.593 38.000 -0.262 0.000 1.260 549 I HN 0.521 nan 8.210 nan 0.000 0.474 550 T N 1.796 116.194 114.554 -0.260 0.000 3.335 550 T HA 0.567 4.918 4.350 0.001 0.000 0.321 550 T C -0.666 173.678 174.700 -0.593 0.000 0.960 550 T CA -0.501 61.347 62.100 -0.420 0.000 1.034 550 T CB 1.453 70.133 68.868 -0.314 0.000 1.040 550 T HN 0.718 nan 8.240 nan 0.000 0.454 551 A N 2.840 125.162 122.820 -0.831 0.000 2.282 551 A HA 0.903 5.224 4.320 0.001 0.000 0.319 551 A C -1.421 175.509 177.584 -1.090 0.000 1.121 551 A CA -0.658 50.903 52.037 -0.793 0.000 0.836 551 A CB 0.724 19.230 19.000 -0.824 0.000 1.146 551 A HN 0.777 nan 8.150 nan 0.000 0.494 552 Y N 0.446 120.553 120.300 -0.322 0.000 2.406 552 Y HA 0.505 5.056 4.550 0.001 0.000 0.340 552 Y C -0.310 175.533 175.900 -0.095 0.000 0.975 552 Y CA -0.778 57.212 58.100 -0.185 0.000 1.056 552 Y CB 2.082 40.474 38.460 -0.114 0.000 1.210 552 Y HN 0.553 nan 8.280 nan 0.000 0.448 553 L N 3.386 124.685 121.223 0.128 0.000 2.319 553 L HA 0.595 4.936 4.340 0.001 0.000 0.281 553 L C -1.053 175.900 176.870 0.139 0.000 1.005 553 L CA -0.033 54.880 54.840 0.121 0.000 0.828 553 L CB 1.472 43.623 42.059 0.153 0.000 1.227 553 L HN 0.635 nan 8.230 nan 0.000 0.415 554 S N 4.265 120.078 115.700 0.187 0.000 2.566 554 S HA 0.789 5.259 4.470 0.001 0.000 0.324 554 S C -0.246 174.469 174.600 0.192 0.000 1.081 554 S CA -0.437 57.872 58.200 0.182 0.000 1.105 554 S CB 1.057 64.402 63.200 0.243 0.000 0.981 554 S HN 0.815 nan 8.310 nan 0.000 0.464 555 A N 5.380 128.207 122.820 0.012 0.000 2.258 555 A HA 0.660 4.981 4.320 0.001 0.000 0.316 555 A C -0.171 177.337 177.584 -0.125 0.000 1.279 555 A CA -0.738 51.224 52.037 -0.125 0.000 0.876 555 A CB 0.457 19.239 19.000 -0.364 0.000 1.170 555 A HN 0.809 nan 8.150 nan 0.000 0.520 556 N N 1.593 120.357 118.700 0.106 0.000 2.335 556 N HA 0.473 5.213 4.740 0.001 0.000 0.304 556 N C -1.169 174.500 175.510 0.265 0.000 1.135 556 N CA -0.444 52.761 53.050 0.259 0.000 0.817 556 N CB 2.040 40.654 38.487 0.212 0.000 1.294 556 N HN 0.548 nan 8.380 nan 0.000 0.497 557 I N 1.522 122.224 120.570 0.221 0.000 2.304 557 I HA 0.130 4.301 4.170 0.001 0.000 0.291 557 I C 0.782 176.896 176.117 -0.004 0.000 1.018 557 I CA -0.105 61.223 61.300 0.047 0.000 1.260 557 I CB 0.886 38.885 38.000 -0.002 0.000 1.390 557 I HN 0.513 nan 8.210 nan 0.000 0.475 558 T N 2.409 116.938 114.554 -0.042 0.000 2.910 558 T HA 0.612 4.963 4.350 0.001 0.000 0.287 558 T C -0.322 174.304 174.700 -0.122 0.000 1.050 558 T CA -0.672 61.408 62.100 -0.033 0.000 1.011 558 T CB 1.478 70.350 68.868 0.008 0.000 1.195 558 T HN 0.080 nan 8.240 nan 0.000 0.540 559 F N 0.598 120.504 119.950 -0.074 0.000 2.380 559 F HA 0.357 4.885 4.527 0.001 0.000 0.319 559 F C 1.584 177.316 175.800 -0.113 0.000 1.113 559 F CA -0.843 57.112 58.000 -0.075 0.000 1.056 559 F CB 0.598 39.506 39.000 -0.153 0.000 1.289 559 F HN 0.841 nan 8.300 nan 0.000 0.515 560 Y N -0.991 119.366 120.300 0.095 0.000 2.483 560 Y HA -0.092 4.459 4.550 0.001 0.000 0.291 560 Y C 1.801 177.564 175.900 -0.228 0.000 1.143 560 Y CA 1.164 59.243 58.100 -0.034 0.000 1.289 560 Y CB -1.590 36.852 38.460 -0.031 0.000 0.983 560 Y HN 0.509 nan 8.280 nan 0.000 0.556 561 T N -3.843 110.095 114.554 -1.026 0.000 3.100 561 T HA 0.436 4.787 4.350 0.001 0.000 0.253 561 T C 1.701 175.949 174.700 -0.753 0.000 1.118 561 T CA 0.471 61.619 62.100 -1.587 0.000 1.058 561 T CB -0.207 67.332 68.868 -2.215 0.000 0.953 561 T HN 0.808 nan 8.240 nan 0.000 0.515 562 G N 0.617 109.219 108.800 -0.329 0.000 2.238 562 G HA2 -0.218 3.742 3.960 0.001 0.000 0.217 562 G HA3 -0.218 3.742 3.960 0.001 0.000 0.217 562 G C 0.063 174.888 174.900 -0.124 0.000 0.996 562 G CA -0.242 44.752 45.100 -0.176 0.000 0.632 562 G HN 0.638 nan 8.290 nan 0.000 0.503 563 V N 4.420 124.264 119.914 -0.116 0.000 2.529 563 V HA 0.368 4.488 4.120 0.001 0.000 0.292 563 V C -0.953 175.226 176.094 0.141 0.000 1.028 563 V CA -0.278 62.013 62.300 -0.015 0.000 1.074 563 V CB 1.022 32.774 31.823 -0.119 0.000 0.958 563 V HN 0.361 nan 8.190 nan 0.000 0.481 564 P HA 0.282 nan 4.420 nan 0.000 0.282 564 P C -0.153 177.244 177.300 0.161 0.000 1.259 564 P CA -0.595 62.585 63.100 0.133 0.000 0.826 564 P CB 2.031 33.810 31.700 0.132 0.000 1.064 565 K N 0.768 121.241 120.400 0.123 0.000 2.403 565 K HA 0.403 4.724 4.320 0.001 0.000 0.199 565 K C 0.072 176.732 176.600 0.099 0.000 1.199 565 K CA 0.229 56.583 56.287 0.111 0.000 0.924 565 K CB 0.742 33.254 32.500 0.019 0.000 1.137 565 K HN 0.599 nan 8.250 nan 0.000 0.510 566 A N 0.733 123.622 122.820 0.116 0.000 2.601 566 A HA 0.385 4.706 4.320 0.001 0.000 0.291 566 A C -1.876 175.826 177.584 0.198 0.000 1.075 566 A CA -0.678 51.443 52.037 0.140 0.000 0.671 566 A CB 1.449 20.528 19.000 0.132 0.000 1.277 566 A HN 0.157 nan 8.150 nan 0.000 0.417 567 E N 0.558 120.869 120.200 0.185 0.000 2.129 567 E HA 0.519 4.869 4.350 0.001 0.000 0.268 567 E C -0.488 176.233 176.600 0.202 0.000 0.900 567 E CA -0.535 55.965 56.400 0.167 0.000 0.755 567 E CB 0.547 30.308 29.700 0.103 0.000 1.117 567 E HN 0.628 nan 8.360 nan 0.000 0.410 568 F N 3.554 123.572 119.950 0.115 0.000 2.695 568 F HA 0.454 4.982 4.527 0.001 0.000 0.303 568 F C -0.019 175.859 175.800 0.130 0.000 1.091 568 F CA -0.562 57.511 58.000 0.121 0.000 1.300 568 F CB 0.438 39.529 39.000 0.152 0.000 1.071 568 F HN 0.140 nan 8.300 nan 0.000 0.578 569 K N 1.409 121.610 120.400 -0.331 0.000 2.575 569 K HA 0.235 4.556 4.320 0.001 0.000 0.271 569 K C -1.842 174.666 176.600 -0.154 0.000 1.013 569 K CA -0.509 55.621 56.287 -0.261 0.000 0.939 569 K CB 1.398 33.622 32.500 -0.459 0.000 1.328 569 K HN 0.209 nan 8.250 nan 0.000 0.450 570 K N 2.670 123.052 120.400 -0.030 0.000 2.318 570 K HA 0.484 4.805 4.320 0.001 0.000 0.249 570 K C -1.462 175.177 176.600 0.065 0.000 0.942 570 K CA -0.476 55.832 56.287 0.034 0.000 0.808 570 K CB 1.861 34.395 32.500 0.056 0.000 1.189 570 K HN 0.486 nan 8.250 nan 0.000 0.428 571 E N 0.727 120.996 120.200 0.115 0.000 2.352 571 E HA 0.311 4.662 4.350 0.001 0.000 0.280 571 E C -1.997 174.710 176.600 0.178 0.000 0.930 571 E CA -0.469 56.025 56.400 0.156 0.000 0.765 571 E CB 2.350 32.157 29.700 0.178 0.000 1.219 571 E HN 0.484 nan 8.360 nan 0.000 0.434 572 T N 2.981 117.624 114.554 0.147 0.000 2.886 572 T HA 0.803 5.154 4.350 0.001 0.000 0.292 572 T C -1.678 173.054 174.700 0.052 0.000 1.012 572 T CA -0.535 61.509 62.100 -0.094 0.000 0.982 572 T CB 0.168 68.969 68.868 -0.112 0.000 1.018 572 T HN 0.361 nan 8.240 nan 0.000 0.451 573 F N 0.876 120.691 119.950 -0.225 0.000 2.641 573 F HA 0.619 5.147 4.527 0.001 0.000 0.308 573 F C -1.017 174.668 175.800 -0.193 0.000 1.105 573 F CA -1.298 56.606 58.000 -0.161 0.000 0.964 573 F CB 1.049 39.987 39.000 -0.103 0.000 1.294 573 F HN 0.291 nan 8.300 nan 0.000 0.442 574 D N 2.717 123.110 120.400 -0.012 0.000 2.317 574 D HA 0.434 5.075 4.640 0.001 0.000 0.234 574 D C -0.747 175.504 176.300 -0.082 0.000 1.112 574 D CA -0.141 53.800 54.000 -0.099 0.000 0.840 574 D CB 2.564 43.321 40.800 -0.071 0.000 1.078 574 D HN 0.344 nan 8.370 nan 0.000 0.486 575 V N 2.395 122.189 119.914 -0.199 0.000 2.459 575 V HA 0.293 4.414 4.120 0.001 0.000 0.295 575 V C 0.311 176.272 176.094 -0.222 0.000 1.029 575 V CA -0.498 61.650 62.300 -0.253 0.000 0.874 575 V CB 1.968 33.428 31.823 -0.604 0.000 0.985 575 V HN 0.479 nan 8.190 nan 0.000 0.438 576 T N 6.220 120.687 114.554 -0.145 0.000 2.874 576 T HA 0.474 4.825 4.350 0.001 0.000 0.321 576 T C -0.451 174.194 174.700 -0.092 0.000 1.075 576 T CA -0.314 61.726 62.100 -0.100 0.000 0.966 576 T CB 0.559 69.386 68.868 -0.068 0.000 1.001 576 T HN 0.220 nan 8.240 nan 0.000 0.476 577 L N 4.488 125.660 121.223 -0.085 0.000 2.278 577 L HA 0.317 4.658 4.340 0.001 0.000 0.287 577 L C 0.753 177.581 176.870 -0.071 0.000 1.072 577 L CA -0.156 54.647 54.840 -0.062 0.000 0.819 577 L CB 0.391 42.440 42.059 -0.017 0.000 1.176 577 L HN 0.492 nan 8.230 nan 0.000 0.435 578 E N 4.963 125.111 120.200 -0.087 0.000 2.391 578 E HA 0.232 4.583 4.350 0.001 0.000 0.255 578 E C -2.228 174.297 176.600 -0.125 0.000 1.187 578 E CA -2.090 54.250 56.400 -0.100 0.000 0.941 578 E CB -0.220 29.427 29.700 -0.090 0.000 1.010 578 E HN 0.290 nan 8.360 nan 0.000 0.458 579 P HA -0.028 nan 4.420 nan 0.000 0.265 579 P C 0.053 177.270 177.300 -0.139 0.000 1.193 579 P CA 0.079 63.113 63.100 -0.110 0.000 0.765 579 P CB 0.344 32.000 31.700 -0.073 0.000 0.823 580 L N -0.239 120.881 121.223 -0.172 0.000 4.001 580 L HA -0.210 4.131 4.340 0.001 0.000 0.413 580 L C 0.136 176.575 176.870 -0.718 0.000 1.185 580 L CA 1.214 55.852 54.840 -0.335 0.000 0.963 580 L CB -3.074 38.897 42.059 -0.147 0.000 1.976 580 L HN 0.347 nan 8.230 nan 0.000 0.939 581 S N -0.554 114.800 115.700 -0.575 0.000 2.632 581 S HA 0.713 5.184 4.470 0.001 0.000 0.271 581 S C 0.027 174.224 174.600 -0.672 0.000 1.260 581 S CA -0.166 57.717 58.200 -0.528 0.000 1.010 581 S CB 1.118 64.195 63.200 -0.205 0.000 0.965 581 S HN 0.196 nan 8.310 nan 0.000 0.534 582 F N 1.381 121.376 119.950 0.076 0.000 2.710 582 F HA 0.380 4.908 4.527 0.001 0.000 0.345 582 F C 0.174 176.041 175.800 0.110 0.000 1.362 582 F CA -0.914 57.146 58.000 0.100 0.000 1.175 582 F CB 0.405 39.449 39.000 0.073 0.000 1.561 582 F HN 0.365 nan 8.300 nan 0.000 0.593 583 K N 1.919 122.477 120.400 0.264 0.000 2.219 583 K HA 0.405 4.725 4.320 0.001 0.000 0.258 583 K C -0.466 176.309 176.600 0.292 0.000 1.008 583 K CA -0.379 56.037 56.287 0.215 0.000 0.928 583 K CB 1.000 33.582 32.500 0.135 0.000 0.983 583 K HN 0.434 nan 8.250 nan 0.000 0.484 584 K N 2.337 122.863 120.400 0.209 0.000 2.482 584 K HA 0.187 4.508 4.320 0.001 0.000 0.251 584 K C -1.382 175.299 176.600 0.136 0.000 0.936 584 K CA -0.616 55.780 56.287 0.181 0.000 0.791 584 K CB 1.468 34.033 32.500 0.108 0.000 1.213 584 K HN 0.558 nan 8.250 nan 0.000 0.428 585 E N 1.684 121.970 120.200 0.142 0.000 2.199 585 E HA 0.505 4.856 4.350 0.001 0.000 0.269 585 E C -1.298 175.262 176.600 -0.067 0.000 0.899 585 E CA -0.762 55.648 56.400 0.016 0.000 0.772 585 E CB 2.116 31.831 29.700 0.026 0.000 1.155 585 E HN 0.665 nan 8.360 nan 0.000 0.408 586 A N 2.278 125.021 122.820 -0.130 0.000 2.355 586 A HA 0.656 4.976 4.320 0.001 0.000 0.317 586 A C -0.742 176.728 177.584 -0.190 0.000 1.094 586 A CA -0.623 51.339 52.037 -0.124 0.000 0.764 586 A CB 1.226 20.182 19.000 -0.074 0.000 1.230 586 A HN 0.305 nan 8.150 nan 0.000 0.448 587 V N 2.842 122.645 119.914 -0.185 0.000 2.680 587 V HA 0.488 4.609 4.120 0.001 0.000 0.309 587 V C -0.487 175.499 176.094 -0.180 0.000 1.052 587 V CA -0.716 61.464 62.300 -0.200 0.000 0.908 587 V CB 1.849 33.544 31.823 -0.213 0.000 1.001 587 V HN 0.820 nan 8.190 nan 0.000 0.431 588 L N 5.598 126.725 121.223 -0.159 0.000 2.298 588 L HA 0.557 4.897 4.340 0.001 0.000 0.284 588 L C -0.928 175.841 176.870 -0.169 0.000 1.013 588 L CA -0.363 54.383 54.840 -0.157 0.000 0.824 588 L CB 1.303 43.307 42.059 -0.092 0.000 1.221 588 L HN 0.526 nan 8.230 nan 0.000 0.418 589 I N 4.946 125.328 120.570 -0.313 0.000 2.297 589 I HA 0.271 4.442 4.170 0.001 0.000 0.291 589 I C 0.269 176.365 176.117 -0.036 0.000 1.033 589 I CA -0.382 60.790 61.300 -0.213 0.000 1.253 589 I CB 1.252 38.927 38.000 -0.542 0.000 1.396 589 I HN 0.581 nan 8.210 nan 0.000 0.476 590 Q N 3.475 123.319 119.800 0.073 0.000 2.293 590 Q HA 0.346 4.687 4.340 0.001 0.000 0.251 590 Q C 1.167 177.232 176.000 0.107 0.000 0.930 590 Q CA -0.354 55.499 55.803 0.083 0.000 0.893 590 Q CB 1.969 30.731 28.738 0.039 0.000 1.215 590 Q HN 0.794 nan 8.270 nan 0.000 0.425 591 A N 2.813 125.652 122.820 0.032 0.000 1.948 591 A HA -0.198 4.123 4.320 0.001 0.000 0.220 591 A C 1.929 179.174 177.584 -0.564 0.000 1.177 591 A CA 2.021 53.839 52.037 -0.365 0.000 0.636 591 A CB -1.077 17.797 19.000 -0.210 0.000 0.815 591 A HN 0.984 nan 8.150 nan 0.000 0.449 592 G N -0.547 108.122 108.800 -0.218 0.000 2.479 592 G HA2 -0.212 3.749 3.960 0.001 0.000 0.220 592 G HA3 -0.212 3.749 3.960 0.001 0.000 0.220 592 G C 1.316 176.159 174.900 -0.095 0.000 1.115 592 G CA 0.988 45.998 45.100 -0.150 0.000 0.757 592 G HN 0.732 nan 8.290 nan 0.000 0.560 593 E N -0.920 119.279 120.200 -0.002 0.000 2.285 593 E HA -0.030 4.320 4.350 0.001 0.000 0.194 593 E C 1.891 178.581 176.600 0.151 0.000 0.997 593 E CA 1.060 57.576 56.400 0.193 0.000 0.845 593 E CB -0.070 29.891 29.700 0.434 0.000 0.782 593 E HN 0.854 nan 8.360 nan 0.000 0.491 594 Y N -2.612 117.630 120.300 -0.095 0.000 2.638 594 Y HA 0.244 4.794 4.550 0.001 0.000 0.275 594 Y C 1.973 177.767 175.900 -0.176 0.000 1.122 594 Y CA -0.374 57.514 58.100 -0.353 0.000 1.266 594 Y CB -0.301 37.762 38.460 -0.661 0.000 1.317 594 Y HN -0.228 nan 8.280 nan 0.000 0.501 595 M N 1.934 121.223 119.600 -0.517 0.000 2.405 595 M HA -0.206 4.274 4.480 0.001 0.000 0.256 595 M C 1.735 177.994 176.300 -0.067 0.000 1.067 595 M CA 2.062 57.210 55.300 -0.253 0.000 1.073 595 M CB -1.822 30.584 32.600 -0.323 0.000 1.273 595 M HN 0.569 nan 8.290 nan 0.000 0.443 596 G N -0.699 108.061 108.800 -0.067 0.000 3.530 596 G HA2 0.174 4.135 3.960 0.001 0.000 0.269 596 G HA3 0.174 4.135 3.960 0.001 0.000 0.269 596 G C 0.910 175.803 174.900 -0.012 0.000 1.314 596 G CA -0.051 45.032 45.100 -0.028 0.000 1.441 596 G HN 0.665 nan 8.290 nan 0.000 0.595 597 Q N -0.602 119.192 119.800 -0.011 0.000 1.842 597 Q HA 0.192 4.532 4.340 0.001 0.000 0.180 597 Q C 0.284 176.260 176.000 -0.040 0.000 0.751 597 Q CA -0.245 55.550 55.803 -0.013 0.000 0.861 597 Q CB 0.566 29.308 28.738 0.006 0.000 1.223 597 Q HN 0.339 nan 8.270 nan 0.000 0.401 598 L N 1.884 123.088 121.223 -0.031 0.000 2.426 598 L HA 0.261 4.602 4.340 0.001 0.000 0.271 598 L C 0.091 176.902 176.870 -0.099 0.000 1.169 598 L CA 0.091 54.895 54.840 -0.061 0.000 0.836 598 L CB 0.537 42.592 42.059 -0.006 0.000 1.112 598 L HN 0.108 nan 8.230 nan 0.000 0.465 599 L N 1.719 122.838 121.223 -0.173 0.000 2.440 599 L HA 0.265 4.606 4.340 0.001 0.000 0.262 599 L C 1.428 178.224 176.870 -0.123 0.000 1.072 599 L CA -0.704 53.998 54.840 -0.229 0.000 0.798 599 L CB 0.452 42.183 42.059 -0.547 0.000 1.307 599 L HN 0.617 nan 8.230 nan 0.000 0.475 600 E N -0.026 120.133 120.200 -0.069 0.000 2.082 600 E HA -0.314 4.037 4.350 0.001 0.000 0.215 600 E C 1.215 177.770 176.600 -0.076 0.000 1.048 600 E CA 2.040 58.433 56.400 -0.011 0.000 0.869 600 E CB -0.118 29.631 29.700 0.082 0.000 0.773 600 E HN 0.527 nan 8.360 nan 0.000 0.466 601 Q N -0.640 119.088 119.800 -0.119 0.000 2.228 601 Q HA 0.316 4.657 4.340 0.001 0.000 0.211 601 Q C -0.156 175.832 176.000 -0.020 0.000 0.890 601 Q CA 0.202 55.913 55.803 -0.153 0.000 0.953 601 Q CB 0.766 29.370 28.738 -0.223 0.000 1.053 601 Q HN 0.326 nan 8.270 nan 0.000 0.471 602 A N 1.136 123.933 122.820 -0.038 0.000 2.415 602 A HA -0.198 4.123 4.320 0.001 0.000 0.292 602 A C 0.272 177.819 177.584 -0.061 0.000 1.452 602 A CA 0.853 52.858 52.037 -0.053 0.000 0.750 602 A CB -1.608 17.372 19.000 -0.033 0.000 1.099 602 A HN 0.310 nan 8.150 nan 0.000 0.391 603 S N -0.393 115.277 115.700 -0.049 0.000 2.462 603 S HA 0.725 5.196 4.470 0.001 0.000 0.294 603 S C -0.470 174.095 174.600 -0.058 0.000 1.144 603 S CA -0.620 57.572 58.200 -0.013 0.000 1.088 603 S CB 0.426 63.659 63.200 0.055 0.000 1.009 603 S HN 0.754 nan 8.310 nan 0.000 0.484 604 L N 4.403 125.585 121.223 -0.069 0.000 2.365 604 L HA 0.563 4.904 4.340 0.001 0.000 0.273 604 L C -0.370 176.335 176.870 -0.276 0.000 1.000 604 L CA -0.443 54.300 54.840 -0.162 0.000 0.819 604 L CB 1.625 43.584 42.059 -0.167 0.000 1.284 604 L HN 0.819 nan 8.230 nan 0.000 0.418 605 H N 2.036 120.831 119.070 -0.458 0.000 2.569 605 H HA 0.743 5.300 4.556 0.001 0.000 0.357 605 H C -1.568 173.376 175.328 -0.641 0.000 1.153 605 H CA -0.535 55.265 56.048 -0.413 0.000 1.193 605 H CB 1.211 30.870 29.762 -0.172 0.000 1.602 605 H HN 0.293 nan 8.280 nan 0.000 0.523 606 F N 3.862 123.506 119.950 -0.510 0.000 2.539 606 F HA 0.368 4.896 4.527 0.001 0.000 0.318 606 F C -1.163 174.485 175.800 -0.252 0.000 1.135 606 F CA -0.676 57.225 58.000 -0.164 0.000 0.915 606 F CB 0.987 40.107 39.000 0.200 0.000 1.176 606 F HN 0.357 nan 8.300 nan 0.000 0.440 607 F N 2.490 122.525 119.950 0.141 0.000 2.458 607 F HA 0.727 5.254 4.527 0.001 0.000 0.336 607 F C -0.488 175.321 175.800 0.015 0.000 1.114 607 F CA -1.270 56.794 58.000 0.107 0.000 0.987 607 F CB 1.961 41.033 39.000 0.120 0.000 1.130 607 F HN 0.066 nan 8.300 nan 0.000 0.458 608 V N 2.922 122.956 119.914 0.201 0.000 2.447 608 V HA 0.459 4.580 4.120 0.001 0.000 0.292 608 V C -0.589 175.515 176.094 0.016 0.000 1.021 608 V CA -0.734 61.535 62.300 -0.053 0.000 0.850 608 V CB 1.837 33.355 31.823 -0.509 0.000 1.005 608 V HN 0.813 nan 8.190 nan 0.000 0.426 609 T N 1.836 116.414 114.554 0.040 0.000 2.863 609 T HA 0.944 5.295 4.350 0.001 0.000 0.285 609 T C -0.377 174.376 174.700 0.087 0.000 1.009 609 T CA -0.537 61.585 62.100 0.037 0.000 0.989 609 T CB 2.340 71.224 68.868 0.026 0.000 1.004 609 T HN 1.042 nan 8.240 nan 0.000 0.455 610 A N 2.150 125.000 122.820 0.051 0.000 2.515 610 A HA 0.869 5.190 4.320 0.001 0.000 0.296 610 A C -0.643 176.965 177.584 0.040 0.000 1.094 610 A CA -1.185 50.878 52.037 0.043 0.000 0.718 610 A CB 1.754 20.803 19.000 0.081 0.000 1.307 610 A HN 0.975 nan 8.150 nan 0.000 0.408 611 R N 2.081 122.594 120.500 0.022 0.000 2.409 611 R HA 0.515 4.855 4.340 0.001 0.000 0.313 611 R C -0.975 175.298 176.300 -0.044 0.000 0.953 611 R CA -0.572 55.531 56.100 0.006 0.000 0.849 611 R CB 0.642 30.974 30.300 0.054 0.000 1.171 611 R HN 0.701 nan 8.270 nan 0.000 0.458 612 I N 5.096 125.621 120.570 -0.076 0.000 3.607 612 I HA -0.123 4.048 4.170 0.001 0.000 0.303 612 I C 0.757 176.806 176.117 -0.112 0.000 1.261 612 I CA -0.150 61.068 61.300 -0.137 0.000 1.215 612 I CB -0.819 37.018 38.000 -0.272 0.000 1.043 612 I HN 0.769 nan 8.210 nan 0.000 0.465 613 N N 1.563 120.231 118.700 -0.052 0.000 2.411 613 N HA -0.358 4.383 4.740 0.001 0.000 0.149 613 N C 1.465 176.971 175.510 -0.007 0.000 0.205 613 N CA 2.744 55.783 53.050 -0.018 0.000 1.692 613 N CB -0.612 37.875 38.487 0.001 0.000 1.169 613 N HN 0.428 nan 8.380 nan 0.000 0.436 614 E N 0.125 120.344 120.200 0.032 0.000 2.002 614 E HA -0.086 4.265 4.350 0.001 0.000 0.205 614 E C 1.263 177.870 176.600 0.011 0.000 1.020 614 E CA 1.981 58.426 56.400 0.076 0.000 0.856 614 E CB -0.654 29.201 29.700 0.258 0.000 0.788 614 E HN 0.757 nan 8.360 nan 0.000 0.477 615 T N 1.201 115.703 114.554 -0.087 0.000 4.098 615 T HA 0.151 4.502 4.350 0.001 0.000 0.291 615 T C 0.161 174.767 174.700 -0.155 0.000 1.440 615 T CA -0.681 61.337 62.100 -0.137 0.000 1.164 615 T CB -0.180 68.522 68.868 -0.278 0.000 1.313 615 T HN 0.042 nan 8.240 nan 0.000 0.951 616 R N 1.275 121.726 120.500 -0.082 0.000 4.147 616 R HA -0.029 4.311 4.340 0.001 0.000 0.153 616 R C -1.142 175.121 176.300 -0.061 0.000 1.702 616 R CA 0.245 56.308 56.100 -0.062 0.000 1.241 616 R CB -1.603 28.679 30.300 -0.030 0.000 1.210 616 R HN 0.450 nan 8.270 nan 0.000 0.648 617 D N 0.733 121.079 120.400 -0.089 0.000 2.175 617 D HA 0.285 4.926 4.640 0.001 0.000 0.248 617 D C -0.321 175.942 176.300 -0.061 0.000 1.047 617 D CA -0.668 53.289 54.000 -0.072 0.000 0.883 617 D CB 2.415 43.161 40.800 -0.090 0.000 1.180 617 D HN -0.009 nan 8.370 nan 0.000 0.438 618 V N 2.849 122.733 119.914 -0.050 0.000 2.472 618 V HA 0.379 4.500 4.120 0.001 0.000 0.290 618 V C 0.173 176.213 176.094 -0.089 0.000 1.037 618 V CA -0.659 61.607 62.300 -0.056 0.000 0.908 618 V CB 1.546 33.338 31.823 -0.052 0.000 0.985 618 V HN 0.293 nan 8.190 nan 0.000 0.454 619 L N 4.414 125.586 121.223 -0.086 0.000 2.341 619 L HA 0.898 5.239 4.340 0.001 0.000 0.278 619 L C -0.046 176.723 176.870 -0.168 0.000 1.005 619 L CA -0.468 54.306 54.840 -0.111 0.000 0.818 619 L CB 1.769 43.806 42.059 -0.036 0.000 1.259 619 L HN 0.727 nan 8.230 nan 0.000 0.418 620 A N 3.534 126.171 122.820 -0.304 0.000 2.454 620 A HA 0.956 5.276 4.320 0.001 0.000 0.302 620 A C -1.112 176.370 177.584 -0.170 0.000 1.079 620 A CA -0.664 51.174 52.037 -0.331 0.000 0.731 620 A CB 2.208 20.697 19.000 -0.852 0.000 1.299 620 A HN 0.532 nan 8.150 nan 0.000 0.413 621 K N 0.861 121.300 120.400 0.065 0.000 2.542 621 K HA 0.429 4.750 4.320 0.001 0.000 0.259 621 K C -1.560 175.247 176.600 0.344 0.000 0.932 621 K CA -0.269 56.140 56.287 0.203 0.000 0.820 621 K CB 2.155 34.859 32.500 0.341 0.000 1.345 621 K HN 0.996 nan 8.250 nan 0.000 0.432 622 Q N 1.379 121.258 119.800 0.132 0.000 2.345 622 Q HA 0.680 5.021 4.340 0.001 0.000 0.275 622 Q C -1.078 174.858 176.000 -0.105 0.000 1.063 622 Q CA -1.041 54.737 55.803 -0.042 0.000 0.819 622 Q CB 3.014 31.550 28.738 -0.337 0.000 1.356 622 Q HN 0.354 nan 8.270 nan 0.000 0.418 623 K N 0.666 121.032 120.400 -0.055 0.000 2.469 623 K HA 0.740 5.061 4.320 0.001 0.000 0.268 623 K C -1.228 175.505 176.600 0.223 0.000 1.027 623 K CA -0.954 55.394 56.287 0.101 0.000 0.893 623 K CB 2.556 34.992 32.500 -0.107 0.000 1.460 623 K HN 0.683 nan 8.250 nan 0.000 0.449 624 S N 0.117 116.052 115.700 0.391 0.000 2.546 624 S HA 0.582 5.053 4.470 0.001 0.000 0.274 624 S C -1.270 173.495 174.600 0.275 0.000 1.121 624 S CA -0.756 57.669 58.200 0.374 0.000 0.887 624 S CB 2.152 65.648 63.200 0.493 0.000 1.094 624 S HN 0.531 nan 8.310 nan 0.000 0.474 625 T N 1.566 116.250 114.554 0.217 0.000 2.893 625 T HA 0.701 5.052 4.350 0.001 0.000 0.291 625 T C -0.665 174.051 174.700 0.027 0.000 1.028 625 T CA -0.772 61.403 62.100 0.125 0.000 0.995 625 T CB 1.522 70.498 68.868 0.179 0.000 1.051 625 T HN 0.654 nan 8.240 nan 0.000 0.470 626 V N 0.732 120.631 119.914 -0.025 0.000 2.540 626 V HA 0.664 4.785 4.120 0.001 0.000 0.302 626 V C -0.495 175.539 176.094 -0.099 0.000 1.035 626 V CA -1.168 61.111 62.300 -0.035 0.000 0.873 626 V CB 1.172 32.996 31.823 0.002 0.000 0.992 626 V HN 0.799 nan 8.190 nan 0.000 0.428 627 L N 3.233 124.384 121.223 -0.120 0.000 2.349 627 L HA 0.366 4.707 4.340 0.001 0.000 0.275 627 L C 0.836 177.669 176.870 -0.061 0.000 1.115 627 L CA -0.008 54.746 54.840 -0.143 0.000 0.820 627 L CB 1.302 43.265 42.059 -0.161 0.000 1.135 627 L HN 0.770 nan 8.230 nan 0.000 0.445 628 T N 4.751 119.269 114.554 -0.059 0.000 2.853 628 T HA 0.326 4.677 4.350 0.001 0.000 0.298 628 T C 0.112 174.817 174.700 0.009 0.000 0.978 628 T CA 0.124 62.210 62.100 -0.024 0.000 1.152 628 T CB -0.046 68.804 68.868 -0.030 0.000 0.914 628 T HN 0.250 nan 8.240 nan 0.000 0.539 629 I N 6.417 127.007 120.570 0.032 0.000 2.404 629 I HA 0.353 4.523 4.170 0.001 0.000 0.293 629 I C -1.690 174.460 176.117 0.054 0.000 0.992 629 I CA -2.482 58.849 61.300 0.051 0.000 1.149 629 I CB 1.502 39.539 38.000 0.062 0.000 1.315 629 I HN 0.431 nan 8.210 nan 0.000 0.446 630 P HA 0.184 nan 4.420 nan 0.000 0.271 630 P C -0.355 177.003 177.300 0.097 0.000 1.218 630 P CA -0.282 62.853 63.100 0.059 0.000 0.780 630 P CB 0.845 32.564 31.700 0.031 0.000 0.901 631 E N 0.814 121.064 120.200 0.083 0.000 2.470 631 E HA 0.138 4.489 4.350 0.001 0.000 0.258 631 E C 0.144 176.838 176.600 0.156 0.000 1.295 631 E CA -0.093 56.368 56.400 0.102 0.000 1.032 631 E CB 0.310 30.055 29.700 0.076 0.000 0.980 631 E HN 0.420 nan 8.360 nan 0.000 0.500 632 I N 1.182 121.846 120.570 0.156 0.000 2.493 632 I HA 0.210 4.381 4.170 0.001 0.000 0.298 632 I C -0.442 175.753 176.117 0.130 0.000 0.998 632 I CA -0.843 60.576 61.300 0.199 0.000 1.137 632 I CB 1.313 39.414 38.000 0.169 0.000 1.310 632 I HN 0.231 nan 8.210 nan 0.000 0.445 633 I N 6.644 127.285 120.570 0.119 0.000 2.321 633 I HA 0.393 4.564 4.170 0.001 0.000 0.291 633 I C -0.116 176.047 176.117 0.077 0.000 0.998 633 I CA -0.337 61.010 61.300 0.078 0.000 1.227 633 I CB 1.213 39.244 38.000 0.052 0.000 1.368 633 I HN 0.337 nan 8.210 nan 0.000 0.466 634 I N 7.137 127.741 120.570 0.055 0.000 2.389 634 I HA 0.341 4.511 4.170 0.001 0.000 0.288 634 I C -0.334 175.794 176.117 0.019 0.000 0.999 634 I CA -0.657 60.665 61.300 0.037 0.000 1.129 634 I CB 1.315 39.332 38.000 0.029 0.000 1.288 634 I HN 0.388 nan 8.210 nan 0.000 0.444 635 K N 5.911 126.317 120.400 0.010 0.000 2.443 635 K HA 0.608 4.929 4.320 0.001 0.000 0.252 635 K C -0.908 175.686 176.600 -0.011 0.000 0.933 635 K CA -0.738 55.550 56.287 0.003 0.000 0.792 635 K CB 2.968 35.472 32.500 0.008 0.000 1.185 635 K HN 0.436 nan 8.250 nan 0.000 0.425 636 V N 0.142 120.047 119.914 -0.015 0.000 2.630 636 V HA 0.702 4.823 4.120 0.001 0.000 0.305 636 V C -0.655 175.429 176.094 -0.017 0.000 1.046 636 V CA -0.836 61.449 62.300 -0.024 0.000 0.934 636 V CB 1.329 33.133 31.823 -0.031 0.000 1.003 636 V HN 0.883 nan 8.190 nan 0.000 0.451 637 R N 2.886 123.374 120.500 -0.019 0.000 2.510 637 R HA 0.884 5.225 4.340 0.001 0.000 0.294 637 R C -0.087 176.205 176.300 -0.013 0.000 1.056 637 R CA -0.053 56.039 56.100 -0.012 0.000 0.918 637 R CB 1.635 31.930 30.300 -0.008 0.000 1.187 637 R HN 1.528 nan 8.270 nan 0.000 0.437 638 G N 1.485 110.279 108.800 -0.010 0.000 2.553 638 G HA2 0.118 4.079 3.960 0.001 0.000 0.106 638 G HA3 0.118 4.079 3.960 0.001 0.000 0.106 638 G C -1.376 173.520 174.900 -0.007 0.000 1.126 638 G CA -0.264 44.831 45.100 -0.008 0.000 1.075 638 G HN 0.596 nan 8.290 nan 0.000 0.472 639 T N 0.192 114.742 114.554 -0.007 0.000 2.841 639 T HA 0.565 4.916 4.350 0.001 0.000 0.283 639 T C -0.382 174.313 174.700 -0.008 0.000 1.000 639 T CA -0.478 61.619 62.100 -0.005 0.000 0.977 639 T CB 2.145 71.013 68.868 -0.000 0.000 0.979 639 T HN 0.319 nan 8.240 nan 0.000 0.446 640 Q N 1.503 121.298 119.800 -0.009 0.000 2.642 640 Q HA 0.376 4.717 4.340 0.001 0.000 0.319 640 Q C -0.652 175.343 176.000 -0.009 0.000 1.030 640 Q CA -0.008 55.788 55.803 -0.013 0.000 0.943 640 Q CB -0.333 28.399 28.738 -0.009 0.000 1.323 640 Q HN 0.526 nan 8.270 nan 0.000 0.419 641 V N 0.723 120.635 119.914 -0.003 0.000 2.444 641 V HA 0.339 4.459 4.120 0.001 0.000 0.294 641 V C -0.009 176.093 176.094 0.015 0.000 1.022 641 V CA -1.279 61.024 62.300 0.005 0.000 0.850 641 V CB 1.678 33.505 31.823 0.008 0.000 0.992 641 V HN 0.253 nan 8.190 nan 0.000 0.426 642 V N 2.980 122.907 119.914 0.021 0.000 3.061 642 V HA 0.530 4.651 4.120 0.001 0.000 0.306 642 V C 1.480 177.612 176.094 0.063 0.000 1.118 642 V CA 1.000 63.329 62.300 0.049 0.000 1.231 642 V CB -0.243 31.617 31.823 0.061 0.000 0.956 642 V HN 1.607 nan 8.190 nan 0.000 0.499 643 G N 2.539 111.395 108.800 0.094 0.000 2.507 643 G HA2 -0.296 3.665 3.960 0.001 0.000 0.240 643 G HA3 -0.296 3.665 3.960 0.001 0.000 0.240 643 G C 0.534 175.469 174.900 0.057 0.000 1.119 643 G CA 0.494 45.642 45.100 0.079 0.000 0.664 643 G HN 1.259 nan 8.290 nan 0.000 0.516 644 S N 1.893 117.618 115.700 0.042 0.000 2.584 644 S HA 0.496 4.966 4.470 0.001 0.000 0.273 644 S C -0.094 174.522 174.600 0.027 0.000 1.311 644 S CA -0.497 57.720 58.200 0.029 0.000 1.034 644 S CB 1.235 64.446 63.200 0.018 0.000 0.939 644 S HN 0.397 nan 8.310 nan 0.000 0.513 645 D N 1.895 122.308 120.400 0.021 0.000 2.399 645 D HA 0.310 4.951 4.640 0.001 0.000 0.241 645 D C -0.047 176.255 176.300 0.004 0.000 1.133 645 D CA 0.457 54.466 54.000 0.015 0.000 0.890 645 D CB 0.396 41.202 40.800 0.011 0.000 1.201 645 D HN 0.358 nan 8.370 nan 0.000 0.432 646 M N 0.602 120.200 119.600 -0.005 0.000 2.421 646 M HA 0.256 4.737 4.480 0.001 0.000 0.287 646 M C -1.516 174.766 176.300 -0.029 0.000 1.183 646 M CA -0.468 54.822 55.300 -0.017 0.000 0.916 646 M CB 2.054 34.640 32.600 -0.023 0.000 1.701 646 M HN 0.191 nan 8.290 nan 0.000 0.470 647 T N 3.078 117.612 114.554 -0.033 0.000 2.829 647 T HA 0.629 4.980 4.350 0.001 0.000 0.282 647 T C -0.774 173.890 174.700 -0.061 0.000 0.990 647 T CA -0.564 61.508 62.100 -0.046 0.000 1.028 647 T CB 1.575 70.423 68.868 -0.032 0.000 0.951 647 T HN 0.454 nan 8.240 nan 0.000 0.460 648 V N 3.353 123.208 119.914 -0.097 0.000 2.409 648 V HA 0.467 4.588 4.120 0.001 0.000 0.291 648 V C 0.002 176.018 176.094 -0.131 0.000 1.020 648 V CA -0.782 61.448 62.300 -0.117 0.000 0.848 648 V CB 1.789 33.512 31.823 -0.167 0.000 0.990 648 V HN 1.024 nan 8.190 nan 0.000 0.430 649 T N 6.173 120.687 114.554 -0.066 0.000 2.772 649 T HA 0.581 4.931 4.350 0.001 0.000 0.288 649 T C -0.434 174.284 174.700 0.029 0.000 0.994 649 T CA -0.214 61.875 62.100 -0.019 0.000 0.951 649 T CB 1.023 69.898 68.868 0.012 0.000 0.933 649 T HN 0.275 nan 8.240 nan 0.000 0.447 650 I N 3.442 124.066 120.570 0.090 0.000 2.312 650 I HA 0.301 4.472 4.170 0.001 0.000 0.290 650 I C 0.184 176.435 176.117 0.222 0.000 1.008 650 I CA -0.253 61.162 61.300 0.193 0.000 1.226 650 I CB 1.366 39.584 38.000 0.365 0.000 1.371 650 I HN 0.548 nan 8.210 nan 0.000 0.468 651 Q N 6.326 126.224 119.800 0.164 0.000 2.333 651 Q HA 0.526 4.867 4.340 0.001 0.000 0.267 651 Q C -1.880 174.218 176.000 0.163 0.000 1.012 651 Q CA -0.708 55.174 55.803 0.131 0.000 0.824 651 Q CB 1.792 30.575 28.738 0.075 0.000 1.290 651 Q HN 0.509 nan 8.270 nan 0.000 0.449 652 F N 2.225 122.150 119.950 -0.041 0.000 2.617 652 F HA 0.404 4.932 4.527 0.001 0.000 0.325 652 F C -1.359 174.387 175.800 -0.090 0.000 1.179 652 F CA -0.289 57.665 58.000 -0.077 0.000 0.965 652 F CB 1.915 40.838 39.000 -0.129 0.000 1.232 652 F HN 0.366 nan 8.300 nan 0.000 0.461 653 T N 4.647 118.587 114.554 -1.024 0.000 2.795 653 T HA 0.175 4.526 4.350 0.001 0.000 0.282 653 T C -0.283 173.775 174.700 -1.070 0.000 0.980 653 T CA -0.605 61.026 62.100 -0.783 0.000 1.012 653 T CB 0.719 69.346 68.868 -0.402 0.000 0.936 653 T HN 0.535 nan 8.240 nan 0.000 0.457 654 N N 5.062 123.412 118.700 -0.582 0.000 2.406 654 N HA 0.056 4.797 4.740 0.001 0.000 0.274 654 N C -1.098 174.299 175.510 -0.189 0.000 1.249 654 N CA -2.056 50.829 53.050 -0.274 0.000 0.951 654 N CB 0.859 39.301 38.487 -0.075 0.000 1.241 654 N HN 0.296 nan 8.380 nan 0.000 0.485 655 P HA -0.103 nan 4.420 nan 0.000 0.219 655 P C 0.457 177.741 177.300 -0.027 0.000 1.150 655 P CA 0.776 63.830 63.100 -0.077 0.000 0.814 655 P CB 0.411 32.092 31.700 -0.031 0.000 0.787 656 L N 0.175 121.399 121.223 0.000 0.000 2.473 656 L HA 0.118 4.459 4.340 0.001 0.000 0.268 656 L C 1.551 178.417 176.870 -0.006 0.000 1.215 656 L CA -0.036 54.809 54.840 0.008 0.000 0.823 656 L CB -0.018 42.056 42.059 0.026 0.000 1.099 656 L HN -0.166 nan 8.230 nan 0.000 0.483 657 K N 0.645 121.042 120.400 -0.006 0.000 2.504 657 K HA 0.109 4.430 4.320 0.001 0.000 0.199 657 K C -0.590 176.006 176.600 -0.006 0.000 1.028 657 K CA 0.111 56.393 56.287 -0.010 0.000 1.164 657 K CB 0.158 32.651 32.500 -0.012 0.000 0.877 657 K HN 0.528 nan 8.250 nan 0.000 0.508 658 E N 0.116 120.316 120.200 -0.000 0.000 2.336 658 E HA 0.122 4.473 4.350 0.001 0.000 0.267 658 E C -0.703 175.903 176.600 0.009 0.000 0.906 658 E CA -0.869 55.533 56.400 0.004 0.000 0.781 658 E CB 1.367 31.070 29.700 0.005 0.000 1.261 658 E HN 0.037 nan 8.360 nan 0.000 0.436 659 T N -0.533 114.027 114.554 0.010 0.000 2.884 659 T HA 0.403 4.753 4.350 0.001 0.000 0.298 659 T C 0.076 174.789 174.700 0.022 0.000 0.998 659 T CA -0.645 61.464 62.100 0.015 0.000 1.124 659 T CB 0.103 68.979 68.868 0.012 0.000 0.931 659 T HN 0.267 nan 8.240 nan 0.000 0.531 660 L N 3.332 124.573 121.223 0.031 0.000 2.264 660 L HA 0.493 4.834 4.340 0.001 0.000 0.289 660 L C 0.932 177.815 176.870 0.021 0.000 1.044 660 L CA -1.007 53.853 54.840 0.034 0.000 0.807 660 L CB 0.984 43.079 42.059 0.060 0.000 1.192 660 L HN 0.501 nan 8.230 nan 0.000 0.425 661 R N 2.603 123.113 120.500 0.016 0.000 2.486 661 R HA 0.240 4.580 4.340 0.001 0.000 0.286 661 R C -0.017 176.281 176.300 -0.003 0.000 0.999 661 R CA -0.523 55.582 56.100 0.008 0.000 0.993 661 R CB 1.033 31.342 30.300 0.015 0.000 1.084 661 R HN 0.676 nan 8.270 nan 0.000 0.487 662 N N 0.280 118.961 118.700 -0.032 0.000 2.669 662 N HA -0.195 4.545 4.740 0.001 0.000 0.266 662 N C -0.662 174.773 175.510 -0.125 0.000 1.024 662 N CA -0.083 52.911 53.050 -0.093 0.000 0.766 662 N CB -0.715 37.773 38.487 0.001 0.000 0.898 662 N HN 0.168 nan 8.380 nan 0.000 0.548 663 V N 1.062 120.892 119.914 -0.140 0.000 2.427 663 V HA 0.094 4.214 4.120 0.001 0.000 0.268 663 V C 0.420 176.388 176.094 -0.210 0.000 1.046 663 V CA -0.068 62.154 62.300 -0.131 0.000 0.970 663 V CB -0.041 31.697 31.823 -0.142 0.000 1.001 663 V HN 0.287 nan 8.190 nan 0.000 0.476 664 W N 4.127 125.408 121.300 -0.031 0.000 2.316 664 W HA 0.570 5.230 4.660 0.001 0.000 0.308 664 W C -0.206 176.315 176.519 0.003 0.000 1.106 664 W CA -0.402 56.953 57.345 0.017 0.000 1.262 664 W CB 1.497 30.983 29.460 0.044 0.000 1.233 664 W HN 0.330 nan 8.180 nan 0.000 0.447 665 V N 4.131 124.168 119.914 0.204 0.000 2.612 665 V HA 0.376 4.497 4.120 0.001 0.000 0.301 665 V C 0.072 176.362 176.094 0.327 0.000 1.046 665 V CA -0.762 61.620 62.300 0.137 0.000 0.946 665 V CB 1.253 33.081 31.823 0.007 0.000 1.003 665 V HN 0.439 nan 8.190 nan 0.000 0.459 666 H N 2.760 121.952 119.070 0.204 0.000 2.747 666 H HA 0.648 5.205 4.556 0.001 0.000 0.371 666 H C -1.431 174.164 175.328 0.446 0.000 1.161 666 H CA -0.811 55.411 56.048 0.292 0.000 1.167 666 H CB 2.581 32.447 29.762 0.174 0.000 1.732 666 H HN 0.357 nan 8.280 nan 0.000 0.544 667 L N 2.252 123.791 121.223 0.526 0.000 2.422 667 L HA 0.448 4.789 4.340 0.001 0.000 0.264 667 L C -1.249 175.726 176.870 0.175 0.000 0.984 667 L CA -0.307 54.717 54.840 0.307 0.000 0.819 667 L CB 1.921 44.046 42.059 0.110 0.000 1.330 667 L HN 0.776 nan 8.230 nan 0.000 0.410 668 D N 1.824 122.272 120.400 0.080 0.000 2.683 668 D HA 0.718 5.359 4.640 0.001 0.000 0.246 668 D C -1.227 175.051 176.300 -0.038 0.000 1.238 668 D CA 0.373 54.388 54.000 0.025 0.000 0.759 668 D CB 2.361 43.172 40.800 0.017 0.000 1.349 668 D HN 0.822 nan 8.370 nan 0.000 0.426 669 G N 1.909 110.663 108.800 -0.075 0.000 1.930 669 G HA2 0.317 4.278 3.960 0.001 0.000 0.286 669 G HA3 0.317 4.278 3.960 0.001 0.000 0.286 669 G C -3.107 171.689 174.900 -0.174 0.000 2.113 669 G CA -0.871 44.151 45.100 -0.130 0.000 0.875 669 G HN 0.293 nan 8.290 nan 0.000 0.543 670 P HA 0.298 nan 4.420 nan 0.000 0.264 670 P C 1.171 178.278 177.300 -0.321 0.000 1.193 670 P CA 1.682 64.694 63.100 -0.147 0.000 0.763 670 P CB 1.290 32.956 31.700 -0.057 0.000 0.810 671 G N 1.531 109.982 108.800 -0.583 0.000 2.159 671 G HA2 -0.238 3.722 3.960 0.001 0.000 0.256 671 G HA3 -0.238 3.722 3.960 0.001 0.000 0.256 671 G C 0.428 174.526 174.900 -1.336 0.000 0.977 671 G CA 0.171 44.618 45.100 -1.088 0.000 0.652 671 G HN 0.441 nan 8.290 nan 0.000 0.531 672 V N -1.401 117.866 119.914 -1.079 0.000 3.177 672 V HA 0.502 4.623 4.120 0.001 0.000 0.219 672 V C 0.903 176.751 176.094 -0.409 0.000 1.344 672 V CA 1.725 63.644 62.300 -0.636 0.000 1.324 672 V CB 1.158 32.778 31.823 -0.339 0.000 1.165 672 V HN 0.740 nan 8.190 nan 0.000 0.510 673 T N -0.141 114.262 114.554 -0.251 0.000 2.900 673 T HA 0.605 4.956 4.350 0.001 0.000 0.303 673 T C -1.152 173.659 174.700 0.186 0.000 1.142 673 T CA -0.498 61.637 62.100 0.058 0.000 1.007 673 T CB 2.096 70.969 68.868 0.009 0.000 1.156 673 T HN 0.153 nan 8.240 nan 0.000 0.490 674 R N 2.791 123.457 120.500 0.277 0.000 2.441 674 R HA 0.496 4.837 4.340 0.001 0.000 0.284 674 R C -2.509 173.875 176.300 0.140 0.000 1.070 674 R CA -1.671 54.568 56.100 0.231 0.000 1.047 674 R CB 0.433 30.840 30.300 0.178 0.000 1.016 674 R HN 0.394 nan 8.270 nan 0.000 0.477 675 P HA -0.045 nan 4.420 nan 0.000 0.260 675 P C -0.760 176.609 177.300 0.115 0.000 1.185 675 P CA 0.982 64.142 63.100 0.100 0.000 0.763 675 P CB 0.504 32.253 31.700 0.082 0.000 0.776 676 M N 3.243 122.936 119.600 0.155 0.000 2.755 676 M HA 0.576 5.057 4.480 0.001 0.000 0.298 676 M C -0.176 176.237 176.300 0.188 0.000 1.251 676 M CA -0.699 54.728 55.300 0.212 0.000 0.817 676 M CB 2.576 35.375 32.600 0.331 0.000 1.760 676 M HN 0.155 nan 8.290 nan 0.000 0.473 677 K N 0.676 121.173 120.400 0.162 0.000 2.561 677 K HA 0.501 4.822 4.320 0.001 0.000 0.254 677 K C -1.851 174.725 176.600 -0.040 0.000 0.942 677 K CA -1.095 55.165 56.287 -0.045 0.000 0.818 677 K CB 2.270 34.562 32.500 -0.348 0.000 1.306 677 K HN 0.378 nan 8.250 nan 0.000 0.435 678 K N 4.177 124.288 120.400 -0.481 0.000 2.376 678 K HA 0.354 4.675 4.320 0.001 0.000 0.257 678 K C -1.207 175.046 176.600 -0.578 0.000 0.939 678 K CA -0.614 55.254 56.287 -0.698 0.000 0.809 678 K CB 1.916 33.433 32.500 -1.638 0.000 1.121 678 K HN 0.876 nan 8.250 nan 0.000 0.425 679 M N 4.212 123.329 119.600 -0.805 0.000 2.363 679 M HA 0.401 4.881 4.480 0.001 0.000 0.343 679 M C -1.409 174.476 176.300 -0.692 0.000 1.165 679 M CA -0.544 54.126 55.300 -1.050 0.000 1.046 679 M CB 0.618 32.188 32.600 -1.716 0.000 1.648 679 M HN 0.390 nan 8.290 nan 0.000 0.452 680 F N 3.417 123.041 119.950 -0.543 0.000 2.467 680 F HA 0.488 5.016 4.527 0.001 0.000 0.336 680 F C 1.197 176.836 175.800 -0.269 0.000 1.123 680 F CA -0.796 57.014 58.000 -0.317 0.000 0.964 680 F CB 1.101 39.974 39.000 -0.213 0.000 1.136 680 F HN 0.613 nan 8.300 nan 0.000 0.447 681 R N 1.549 122.012 120.500 -0.061 0.000 2.096 681 R HA -0.121 4.220 4.340 0.001 0.000 0.240 681 R C -0.046 176.249 176.300 -0.009 0.000 1.139 681 R CA 1.597 57.664 56.100 -0.056 0.000 0.952 681 R CB -0.272 29.999 30.300 -0.049 0.000 0.854 681 R HN 0.909 nan 8.270 nan 0.000 0.436 682 E N -1.157 119.066 120.200 0.037 0.000 2.396 682 E HA 0.402 4.752 4.350 0.001 0.000 0.280 682 E C -1.241 175.393 176.600 0.057 0.000 1.065 682 E CA -0.645 55.776 56.400 0.035 0.000 0.831 682 E CB 1.109 30.822 29.700 0.021 0.000 1.272 682 E HN -0.048 nan 8.360 nan 0.000 0.443 683 I N 1.753 122.346 120.570 0.039 0.000 2.476 683 I HA 0.366 4.537 4.170 0.001 0.000 0.281 683 I C 0.053 176.182 176.117 0.019 0.000 1.040 683 I CA -1.100 60.219 61.300 0.032 0.000 1.094 683 I CB 1.307 39.329 38.000 0.037 0.000 1.219 683 I HN 0.386 nan 8.210 nan 0.000 0.450 684 R N 4.873 125.380 120.500 0.012 0.000 2.905 684 R HA 0.154 4.495 4.340 0.001 0.000 0.273 684 R C -2.358 173.938 176.300 -0.008 0.000 1.033 684 R CA -1.529 54.573 56.100 0.004 0.000 1.182 684 R CB -0.238 30.064 30.300 0.003 0.000 1.097 684 R HN 0.197 nan 8.270 nan 0.000 0.504 685 P HA -0.039 nan 4.420 nan 0.000 0.263 685 P C -0.338 176.943 177.300 -0.032 0.000 1.195 685 P CA 0.602 63.692 63.100 -0.017 0.000 0.762 685 P CB 0.163 31.856 31.700 -0.012 0.000 0.799 686 N N -0.510 118.159 118.700 -0.052 0.000 2.714 686 N HA -0.150 4.590 4.740 0.001 0.000 0.250 686 N C -0.407 175.056 175.510 -0.077 0.000 1.117 686 N CA 0.464 53.471 53.050 -0.073 0.000 0.719 686 N CB -0.856 37.600 38.487 -0.053 0.000 1.081 686 N HN 0.383 nan 8.380 nan 0.000 0.557 687 S N -0.198 115.457 115.700 -0.076 0.000 2.669 687 S HA 0.469 4.940 4.470 0.001 0.000 0.270 687 S C 0.492 175.028 174.600 -0.106 0.000 1.225 687 S CA -0.025 58.138 58.200 -0.062 0.000 0.991 687 S CB 1.916 65.098 63.200 -0.030 0.000 0.987 687 S HN 0.142 nan 8.310 nan 0.000 0.552 688 T N 1.921 116.431 114.554 -0.073 0.000 2.906 688 T HA 0.465 4.816 4.350 0.001 0.000 0.302 688 T C -0.410 174.277 174.700 -0.022 0.000 1.002 688 T CA -0.617 61.431 62.100 -0.087 0.000 0.988 688 T CB 0.853 69.677 68.868 -0.074 0.000 0.972 688 T HN 0.506 nan 8.240 nan 0.000 0.447 689 V N 2.175 122.071 119.914 -0.030 0.000 2.617 689 V HA 0.734 4.855 4.120 0.001 0.000 0.298 689 V C -0.515 175.630 176.094 0.085 0.000 1.048 689 V CA -0.757 61.562 62.300 0.031 0.000 0.964 689 V CB 1.604 33.319 31.823 -0.180 0.000 1.004 689 V HN 0.826 nan 8.190 nan 0.000 0.466 690 Q N 2.107 122.049 119.800 0.236 0.000 2.413 690 Q HA 0.520 4.861 4.340 0.001 0.000 0.276 690 Q C -1.945 174.349 176.000 0.489 0.000 1.099 690 Q CA -0.449 55.519 55.803 0.274 0.000 0.814 690 Q CB 3.078 31.926 28.738 0.184 0.000 1.379 690 Q HN 0.893 nan 8.270 nan 0.000 0.436 691 W N 2.832 124.266 121.300 0.223 0.000 2.687 691 W HA 0.338 4.999 4.660 0.002 0.000 0.328 691 W C -1.156 175.441 176.519 0.130 0.000 1.012 691 W CA -0.515 56.969 57.345 0.232 0.000 1.262 691 W CB 1.050 30.703 29.460 0.321 0.000 1.331 691 W HN 0.501 nan 8.180 nan 0.000 0.433 692 E N 3.174 123.437 120.200 0.106 0.000 2.283 692 E HA 0.430 4.781 4.350 0.001 0.000 0.271 692 E C -0.872 175.574 176.600 -0.258 0.000 1.031 692 E CA -0.620 55.736 56.400 -0.073 0.000 0.868 692 E CB 2.483 32.193 29.700 0.016 0.000 1.094 692 E HN 0.328 nan 8.360 nan 0.000 0.401 693 E N 0.252 120.295 120.200 -0.262 0.000 2.380 693 E HA 0.276 4.626 4.350 0.001 0.000 0.281 693 E C -1.893 174.615 176.600 -0.152 0.000 0.999 693 E CA -0.534 55.705 56.400 -0.268 0.000 0.800 693 E CB 1.814 31.199 29.700 -0.525 0.000 1.228 693 E HN 0.169 nan 8.360 nan 0.000 0.436 694 V N 1.583 121.443 119.914 -0.090 0.000 2.448 694 V HA 0.625 4.745 4.120 0.001 0.000 0.295 694 V C -0.375 175.704 176.094 -0.025 0.000 1.025 694 V CA -0.847 61.424 62.300 -0.047 0.000 0.859 694 V CB 1.247 33.059 31.823 -0.018 0.000 0.988 694 V HN 0.766 nan 8.190 nan 0.000 0.431 695 C N 4.478 123.767 119.300 -0.018 0.000 2.493 695 C HA 0.626 5.087 4.460 0.001 0.000 0.326 695 C C 0.410 175.427 174.990 0.046 0.000 1.200 695 C CA -0.875 58.154 59.018 0.020 0.000 1.739 695 C CB 1.673 29.402 27.740 -0.017 0.000 2.300 695 C HN 0.873 nan 8.230 nan 0.000 0.500 696 R N 2.489 123.057 120.500 0.112 0.000 2.423 696 R HA 0.268 4.609 4.340 0.001 0.000 0.293 696 R C -2.547 173.876 176.300 0.205 0.000 1.196 696 R CA -1.167 55.008 56.100 0.125 0.000 1.262 696 R CB 0.633 31.007 30.300 0.124 0.000 1.116 696 R HN 0.594 nan 8.270 nan 0.000 0.566 697 P HA -0.149 nan 4.420 nan 0.000 0.263 697 P C -0.343 177.053 177.300 0.161 0.000 1.168 697 P CA 0.384 63.491 63.100 0.012 0.000 0.759 697 P CB 0.395 32.064 31.700 -0.051 0.000 0.782 698 W N 2.186 123.482 121.300 -0.007 0.000 2.499 698 W HA 0.530 5.191 4.660 0.001 0.000 0.362 698 W C -1.408 175.109 176.519 -0.004 0.000 0.945 698 W CA -0.538 56.806 57.345 -0.001 0.000 1.721 698 W CB -0.193 29.270 29.460 0.005 0.000 1.156 698 W HN -0.086 nan 8.180 nan 0.000 0.547 699 V N 1.589 121.413 119.914 -0.150 0.000 2.925 699 V HA 0.599 4.720 4.120 0.001 0.000 0.311 699 V C -0.169 175.866 176.094 -0.097 0.000 1.104 699 V CA -0.799 61.428 62.300 -0.120 0.000 0.954 699 V CB 1.910 33.589 31.823 -0.241 0.000 1.022 699 V HN 0.031 nan 8.190 nan 0.000 0.427 700 S N 1.330 116.999 115.700 -0.052 0.000 2.638 700 S HA 0.957 5.428 4.470 0.001 0.000 0.298 700 S C 0.332 174.910 174.600 -0.036 0.000 1.111 700 S CA 0.256 58.434 58.200 -0.037 0.000 1.027 700 S CB 1.676 64.871 63.200 -0.009 0.000 1.064 700 S HN 1.757 nan 8.310 nan 0.000 0.525 701 G N 1.246 110.034 108.800 -0.019 0.000 2.428 701 G HA2 -0.131 3.830 3.960 0.001 0.000 0.202 701 G HA3 -0.131 3.830 3.960 0.001 0.000 0.202 701 G C -0.576 174.339 174.900 0.025 0.000 1.247 701 G CA -0.708 44.398 45.100 0.009 0.000 1.020 701 G HN 0.945 nan 8.290 nan 0.000 0.529 702 H N 1.676 120.723 119.070 -0.038 0.000 2.886 702 H HA 0.505 5.062 4.556 0.001 0.000 0.329 702 H C 0.260 175.555 175.328 -0.055 0.000 1.044 702 H CA 0.214 56.237 56.048 -0.041 0.000 1.456 702 H CB 0.269 30.013 29.762 -0.031 0.000 1.464 702 H HN 0.487 nan 8.280 nan 0.000 0.573 703 R N 3.496 123.671 120.500 -0.542 0.000 2.869 703 R HA 0.393 4.733 4.340 0.001 0.000 0.263 703 R C -1.090 174.905 176.300 -0.509 0.000 1.066 703 R CA -0.995 54.811 56.100 -0.490 0.000 0.960 703 R CB 2.096 32.231 30.300 -0.275 0.000 1.221 703 R HN 0.673 nan 8.270 nan 0.000 0.474 704 K N 0.924 121.127 120.400 -0.328 0.000 2.525 704 K HA 0.456 4.776 4.320 0.001 0.000 0.254 704 K C -1.284 175.231 176.600 -0.142 0.000 0.934 704 K CA -0.530 55.638 56.287 -0.197 0.000 0.802 704 K CB 1.897 34.295 32.500 -0.171 0.000 1.295 704 K HN 0.393 nan 8.250 nan 0.000 0.433 705 L N 4.957 126.126 121.223 -0.090 0.000 2.322 705 L HA 0.583 4.923 4.340 0.001 0.000 0.279 705 L C -0.554 176.294 176.870 -0.037 0.000 1.036 705 L CA -0.902 53.896 54.840 -0.070 0.000 0.807 705 L CB 1.370 43.395 42.059 -0.057 0.000 1.226 705 L HN 0.551 nan 8.230 nan 0.000 0.433 706 I N 2.200 122.758 120.570 -0.019 0.000 2.533 706 I HA 0.618 4.789 4.170 0.001 0.000 0.290 706 I C -0.346 175.818 176.117 0.079 0.000 1.056 706 I CA -0.378 60.929 61.300 0.013 0.000 1.057 706 I CB 2.115 40.099 38.000 -0.026 0.000 1.240 706 I HN 0.615 nan 8.210 nan 0.000 0.423 707 A N 4.001 126.893 122.820 0.120 0.000 2.350 707 A HA 0.963 5.284 4.320 0.001 0.000 0.318 707 A C -0.581 177.135 177.584 0.220 0.000 1.132 707 A CA -0.485 51.665 52.037 0.188 0.000 0.811 707 A CB 1.895 21.001 19.000 0.178 0.000 1.313 707 A HN 0.731 nan 8.150 nan 0.000 0.454 708 S N 0.693 116.518 115.700 0.209 0.000 2.547 708 S HA 0.693 5.164 4.470 0.001 0.000 0.270 708 S C -1.096 173.477 174.600 -0.045 0.000 1.150 708 S CA -0.565 57.723 58.200 0.146 0.000 0.850 708 S CB 1.656 64.962 63.200 0.176 0.000 1.118 708 S HN 1.290 nan 8.310 nan 0.000 0.461 709 M N 2.690 122.136 119.600 -0.257 0.000 2.446 709 M HA 0.722 5.203 4.480 0.001 0.000 0.294 709 M C -1.545 174.566 176.300 -0.316 0.000 1.158 709 M CA -0.155 54.948 55.300 -0.330 0.000 0.899 709 M CB 1.888 34.113 32.600 -0.625 0.000 1.687 709 M HN 1.045 nan 8.290 nan 0.000 0.455 710 S N 2.706 118.293 115.700 -0.190 0.000 2.592 710 S HA 0.771 5.242 4.470 0.001 0.000 0.275 710 S C -1.125 173.472 174.600 -0.004 0.000 1.169 710 S CA -0.091 58.037 58.200 -0.120 0.000 0.958 710 S CB 1.183 64.301 63.200 -0.137 0.000 1.095 710 S HN 0.997 nan 8.310 nan 0.000 0.471 711 S N 3.196 118.888 115.700 -0.013 0.000 2.851 711 S HA 0.582 5.053 4.470 0.001 0.000 0.317 711 S C 0.175 174.807 174.600 0.054 0.000 1.144 711 S CA -0.471 57.748 58.200 0.032 0.000 0.862 711 S CB 0.826 64.016 63.200 -0.017 0.000 1.259 711 S HN 0.486 nan 8.310 nan 0.000 0.564 712 D N 1.017 121.450 120.400 0.055 0.000 2.117 712 D HA 0.033 4.674 4.640 0.001 0.000 0.197 712 D C 1.709 178.033 176.300 0.040 0.000 0.987 712 D CA 1.934 55.967 54.000 0.054 0.000 0.829 712 D CB -0.202 40.625 40.800 0.044 0.000 0.961 712 D HN 0.479 nan 8.370 nan 0.000 0.460 713 S N -0.245 115.473 115.700 0.029 0.000 2.500 713 S HA 0.126 4.597 4.470 0.001 0.000 0.174 713 S C 0.498 175.111 174.600 0.022 0.000 0.857 713 S CA -0.562 57.653 58.200 0.024 0.000 0.905 713 S CB -0.248 62.966 63.200 0.024 0.000 0.819 713 S HN 0.107 nan 8.310 nan 0.000 0.557 714 L N 2.606 123.840 121.223 0.019 0.000 2.456 714 L HA 0.431 4.772 4.340 0.001 0.000 0.272 714 L C 0.086 176.938 176.870 -0.030 0.000 1.189 714 L CA 0.639 55.484 54.840 0.009 0.000 0.846 714 L CB 0.014 42.094 42.059 0.036 0.000 1.111 714 L HN 0.412 nan 8.230 nan 0.000 0.475 715 R N 2.120 122.598 120.500 -0.036 0.000 2.728 715 R HA 0.246 4.587 4.340 0.001 0.000 0.274 715 R C -0.921 175.354 176.300 -0.043 0.000 1.032 715 R CA -0.567 55.492 56.100 -0.068 0.000 0.866 715 R CB 0.578 30.878 30.300 0.000 0.000 1.263 715 R HN 0.764 nan 8.270 nan 0.000 0.475 716 H N -0.880 117.999 119.070 -0.319 0.000 2.973 716 H HA -0.093 4.464 4.556 0.001 0.000 0.285 716 H C -1.952 172.952 175.328 -0.707 0.000 1.277 716 H CA 0.824 56.594 56.048 -0.462 0.000 1.137 716 H CB -0.908 28.745 29.762 -0.181 0.000 1.326 716 H HN 0.162 nan 8.280 nan 0.000 0.398 717 V N 2.202 121.607 119.914 -0.848 0.000 2.384 717 V HA 0.480 4.601 4.120 0.001 0.000 0.287 717 V C -0.038 175.578 176.094 -0.796 0.000 1.020 717 V CA -0.332 61.590 62.300 -0.630 0.000 0.850 717 V CB 0.916 32.527 31.823 -0.353 0.000 0.987 717 V HN 0.298 nan 8.190 nan 0.000 0.436 718 Y N 2.278 122.525 120.300 -0.088 0.000 2.773 718 Y HA 0.968 5.519 4.550 0.001 0.000 0.323 718 Y C 0.715 176.612 175.900 -0.005 0.000 1.183 718 Y CA -0.689 57.371 58.100 -0.067 0.000 1.144 718 Y CB 1.992 40.390 38.460 -0.102 0.000 1.340 718 Y HN 0.760 nan 8.280 nan 0.000 0.531 719 G N -0.560 108.366 108.800 0.209 0.000 2.451 719 G HA2 0.585 4.546 3.960 0.001 0.000 0.292 719 G HA3 0.585 4.546 3.960 0.001 0.000 0.292 719 G C -1.904 173.049 174.900 0.088 0.000 1.427 719 G CA -0.898 44.277 45.100 0.125 0.000 0.792 719 G HN 0.770 nan 8.290 nan 0.000 0.498 720 E N -1.896 118.340 120.200 0.059 0.000 2.427 720 E HA 0.672 5.023 4.350 0.001 0.000 0.279 720 E C -2.225 174.390 176.600 0.026 0.000 1.120 720 E CA -1.097 55.322 56.400 0.031 0.000 0.869 720 E CB 2.081 31.788 29.700 0.011 0.000 1.393 720 E HN 1.300 nan 8.360 nan 0.000 0.443 721 L N 1.026 122.257 121.223 0.013 0.000 2.641 721 L HA 0.415 4.756 4.340 0.001 0.000 0.261 721 L C -2.261 174.621 176.870 0.020 0.000 0.926 721 L CA -0.142 54.708 54.840 0.017 0.000 0.917 721 L CB 2.139 44.203 42.059 0.007 0.000 1.361 721 L HN 0.635 nan 8.230 nan 0.000 0.417 722 D N 4.030 124.467 120.400 0.061 0.000 2.365 722 D HA 0.479 5.119 4.640 0.001 0.000 0.237 722 D C 0.115 176.475 176.300 0.099 0.000 1.190 722 D CA 0.172 54.258 54.000 0.143 0.000 0.867 722 D CB 1.308 42.272 40.800 0.273 0.000 1.050 722 D HN 0.479 nan 8.370 nan 0.000 0.491 723 V N 0.964 120.900 119.914 0.036 0.000 2.834 723 V HA 0.622 4.743 4.120 0.001 0.000 0.313 723 V C -0.328 175.799 176.094 0.054 0.000 1.060 723 V CA -0.900 61.411 62.300 0.018 0.000 0.989 723 V CB 1.886 33.687 31.823 -0.037 0.000 1.041 723 V HN 0.271 nan 8.190 nan 0.000 0.459 724 Q N 2.461 122.284 119.800 0.038 0.000 2.523 724 Q HA 0.553 4.894 4.340 0.001 0.000 0.251 724 Q C -1.091 174.911 176.000 0.004 0.000 1.033 724 Q CA -0.187 55.643 55.803 0.044 0.000 0.746 724 Q CB 0.706 29.470 28.738 0.044 0.000 1.189 724 Q HN 0.840 nan 8.270 nan 0.000 0.508 725 I N 4.878 125.436 120.570 -0.019 0.000 2.282 725 I HA 0.195 4.366 4.170 0.001 0.000 0.290 725 I C 0.669 176.775 176.117 -0.019 0.000 1.090 725 I CA -0.551 60.731 61.300 -0.030 0.000 1.231 725 I CB 0.325 38.286 38.000 -0.064 0.000 1.434 725 I HN 0.578 nan 8.210 nan 0.000 0.487 726 Q N 6.430 126.225 119.800 -0.007 0.000 2.239 726 Q HA 0.514 4.854 4.340 0.001 0.000 0.193 726 Q C 0.028 176.029 176.000 0.002 0.000 1.004 726 Q CA -0.882 54.920 55.803 -0.002 0.000 1.040 726 Q CB 1.113 29.852 28.738 0.002 0.000 1.149 726 Q HN 0.408 nan 8.270 nan 0.000 0.535 727 R N 0.000 120.503 120.500 0.005 0.000 2.786 727 R HA 0.000 4.341 4.340 0.001 0.000 0.208 727 R CA 0.000 56.105 56.100 0.009 0.000 0.921 727 R CB 0.000 30.305 30.300 0.008 0.000 0.687 727 R HN 0.000 nan 8.270 nan 0.000 0.535