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 2f8s_1_A DATA FIRST_RESID 3 DATA SEQUENCE KEALLNLYRI EYRPKDTTFT VFKPTHEIQK EKLNKVRWRV FLQTGLPTFR DATA SEQUENCE REDEFWCAGK VEKDTLYLTL SNGEIVELKR VGEEEFRGFQ NERECQELFR DATA SEQUENCE DFLTKTKVKD KFISDFYKKF RDKITVQGKN RKIALIPEVN EKVLKSEEGY DATA SEQUENCE FLLHLDLKFR IQPFETLQTL LERNDFNPKR IRVKPIGIDF VGRVQDVFKA DATA SEQUENCE KEKGEEFFRL CMERSTHKSS KKAWEELLKN RELREKAFLV VLEKGYTYPA DATA SEQUENCE TILKPVLTYE NLEDEERNEV ADIVRMEPGK RLNLIRYILR RYVKALRDYG DATA SEQUENCE WYISPEEERA KGKLNFKDTV LDAKGKNTKV ITNLRKFLEL CRPFVKKDVL DATA SEQUENCE SVEIISVSVY KKLEWRKEEF LKELINFLKN KGIKLKIKGK SLILAQTREE DATA SEQUENCE AKEKLIPVIN KIKDVDLVIV FLEEYPKVDP YKSFLLYDFV KRELLKKMIP DATA SEQUENCE SQVILNRTLK NENLKFVLLN VAEQVLAKTG NIPYKLKEIE GKVDAFVGID DATA SEQUENCE ISRITRDGKT VNAVAFTKIF NSKGELVRYY LTSYPAFGEK LTEKAIGDVF DATA SEQUENCE SLLEKLGFKK GSKIVVHRDG RLYRDEVAAF KKYGELYGYS LELLEIIKRN DATA SEQUENCE NPRFFSNEKF IKGYFYKLSE DSVILATYNQ VYEGTHQPIK VRKVYGELPV DATA SEQUENCE EVLCSQILSL TLMNYSSFQP IKLPATVHYS DKITKLMLRG IEPIKKEGDI DATA SEQUENCE MYWL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.728 176.600 0.213 0.000 0.988 3 K CA 0.000 56.413 56.287 0.210 0.000 0.838 3 K CB 0.000 32.587 32.500 0.146 0.000 1.064 4 E N 1.120 121.421 120.200 0.169 0.000 2.145 4 E HA 0.618 5.176 4.350 0.348 0.000 0.270 4 E C -1.476 175.237 176.600 0.189 0.000 0.906 4 E CA -0.730 55.766 56.400 0.161 0.000 0.761 4 E CB 1.653 31.414 29.700 0.102 0.000 1.116 4 E HN 0.307 nan 8.360 nan 0.000 0.408 5 A N 6.072 129.050 122.820 0.263 0.000 2.330 5 A HA 0.496 5.025 4.320 0.348 0.000 0.313 5 A C -0.949 176.799 177.584 0.272 0.000 1.124 5 A CA -0.743 51.463 52.037 0.282 0.000 0.774 5 A CB 0.794 20.025 19.000 0.385 0.000 1.198 5 A HN 0.701 nan 8.150 nan 0.000 0.465 6 L N 2.379 123.732 121.223 0.217 0.000 2.343 6 L HA 0.527 5.076 4.340 0.348 0.000 0.275 6 L C -0.910 176.030 176.870 0.117 0.000 1.056 6 L CA -0.677 54.231 54.840 0.113 0.000 0.804 6 L CB 1.468 43.551 42.059 0.040 0.000 1.203 6 L HN 0.611 nan 8.230 nan 0.000 0.440 7 L N 2.112 123.271 121.223 -0.106 0.000 2.342 7 L HA 0.309 4.858 4.340 0.348 0.000 0.271 7 L C 0.542 177.210 176.870 -0.337 0.000 1.008 7 L CA -0.553 54.157 54.840 -0.217 0.000 0.818 7 L CB 1.293 43.032 42.059 -0.533 0.000 1.296 7 L HN 0.529 nan 8.230 nan 0.000 0.427 8 N N 3.467 122.054 118.700 -0.187 0.000 3.085 8 N HA 0.018 4.966 4.740 0.348 0.000 0.313 8 N C -0.966 174.315 175.510 -0.381 0.000 1.277 8 N CA 0.341 53.232 53.050 -0.264 0.000 1.150 8 N CB -0.339 38.199 38.487 0.085 0.000 1.437 8 N HN 0.505 nan 8.380 nan 0.000 0.558 9 L N 1.363 122.152 121.223 -0.722 0.000 2.409 9 L HA 0.416 4.964 4.340 0.348 0.000 0.272 9 L C -1.296 175.166 176.870 -0.681 0.000 0.980 9 L CA -0.934 53.599 54.840 -0.513 0.000 0.826 9 L CB 1.362 43.138 42.059 -0.471 0.000 1.268 9 L HN 0.105 nan 8.230 nan 0.000 0.407 10 Y N 2.335 122.620 120.300 -0.024 0.000 2.338 10 Y HA 0.440 5.199 4.550 0.348 0.000 0.333 10 Y C 0.222 176.149 175.900 0.045 0.000 0.968 10 Y CA -0.807 57.294 58.100 0.002 0.000 1.123 10 Y CB 1.668 40.121 38.460 -0.012 0.000 1.165 10 Y HN 0.428 nan 8.280 nan 0.000 0.452 11 R N 3.082 123.697 120.500 0.192 0.000 2.583 11 R HA 0.301 4.849 4.340 0.348 0.000 0.274 11 R C -0.863 175.555 176.300 0.197 0.000 0.998 11 R CA 0.542 56.749 56.100 0.179 0.000 1.081 11 R CB 0.280 30.634 30.300 0.089 0.000 0.940 11 R HN 0.791 nan 8.270 nan 0.000 0.413 12 I N 1.934 122.644 120.570 0.234 0.000 2.722 12 I HA 0.265 4.643 4.170 0.348 0.000 0.292 12 I C -1.484 174.862 176.117 0.381 0.000 1.267 12 I CA -0.320 61.158 61.300 0.297 0.000 1.036 12 I CB 1.755 39.894 38.000 0.230 0.000 1.281 12 I HN 0.837 nan 8.210 nan 0.000 0.423 13 E N 5.443 125.896 120.200 0.421 0.000 2.433 13 E HA 0.354 4.913 4.350 0.348 0.000 0.278 13 E C -2.069 174.757 176.600 0.375 0.000 0.976 13 E CA -0.874 55.763 56.400 0.394 0.000 0.793 13 E CB 2.199 32.019 29.700 0.199 0.000 1.311 13 E HN 0.485 nan 8.360 nan 0.000 0.460 14 Y N 1.377 121.682 120.300 0.007 0.000 2.376 14 Y HA 0.442 5.200 4.550 0.348 0.000 0.326 14 Y C -1.128 174.725 175.900 -0.079 0.000 0.970 14 Y CA -1.049 56.850 58.100 -0.335 0.000 1.248 14 Y CB 1.058 39.051 38.460 -0.777 0.000 1.117 14 Y HN 0.474 nan 8.280 nan 0.000 0.476 15 R N 7.222 127.563 120.500 -0.265 0.000 2.734 15 R HA 0.309 4.858 4.340 0.348 0.000 0.268 15 R C -3.182 172.998 176.300 -0.199 0.000 1.785 15 R CA -1.526 54.453 56.100 -0.201 0.000 1.461 15 R CB 0.903 31.137 30.300 -0.110 0.000 1.308 15 R HN 0.476 nan 8.270 nan 0.000 0.586 16 P HA 0.297 nan 4.420 nan 0.000 0.282 16 P C 0.091 177.346 177.300 -0.074 0.000 1.259 16 P CA -0.566 62.381 63.100 -0.254 0.000 0.826 16 P CB 1.608 33.085 31.700 -0.372 0.000 1.064 17 K N -0.218 120.173 120.400 -0.015 0.000 2.025 17 K HA -0.042 4.487 4.320 0.348 0.000 0.207 17 K C 0.846 177.475 176.600 0.049 0.000 1.049 17 K CA 0.883 57.181 56.287 0.018 0.000 0.933 17 K CB -0.306 32.206 32.500 0.020 0.000 0.714 17 K HN 0.456 nan 8.250 nan 0.000 0.438 18 D N 1.020 121.462 120.400 0.069 0.000 2.348 18 D HA 0.030 4.879 4.640 0.348 0.000 0.253 18 D C -0.417 175.986 176.300 0.172 0.000 1.161 18 D CA 0.546 54.611 54.000 0.108 0.000 0.876 18 D CB 1.265 42.131 40.800 0.109 0.000 1.160 18 D HN -0.027 nan 8.370 nan 0.000 0.459 19 T N 2.375 117.064 114.554 0.226 0.000 3.252 19 T HA 0.127 4.686 4.350 0.348 0.000 0.286 19 T C -0.280 174.731 174.700 0.518 0.000 1.013 19 T CA -0.159 62.165 62.100 0.374 0.000 0.914 19 T CB 0.308 69.331 68.868 0.257 0.000 1.131 19 T HN 0.280 nan 8.240 nan 0.000 0.529 20 T N 2.124 116.926 114.554 0.414 0.000 2.821 20 T HA 0.586 5.145 4.350 0.348 0.000 0.307 20 T C -0.751 174.134 174.700 0.307 0.000 1.034 20 T CA -0.486 61.821 62.100 0.344 0.000 0.953 20 T CB 0.408 69.375 68.868 0.164 0.000 0.968 20 T HN 0.001 nan 8.240 nan 0.000 0.462 21 F N 1.585 121.615 119.950 0.134 0.000 2.440 21 F HA 0.578 5.313 4.527 0.348 0.000 0.328 21 F C 1.094 176.849 175.800 -0.075 0.000 1.070 21 F CA -0.960 57.091 58.000 0.085 0.000 1.011 21 F CB 1.482 40.606 39.000 0.206 0.000 1.226 21 F HN 0.301 nan 8.300 nan 0.000 0.491 22 T N 2.179 116.779 114.554 0.077 0.000 2.824 22 T HA 0.644 5.202 4.350 0.348 0.000 0.280 22 T C -0.669 173.945 174.700 -0.143 0.000 0.995 22 T CA -0.590 61.459 62.100 -0.085 0.000 1.009 22 T CB 1.422 70.276 68.868 -0.022 0.000 0.955 22 T HN 0.253 nan 8.240 nan 0.000 0.452 23 V N 3.325 122.951 119.914 -0.481 0.000 2.715 23 V HA 0.710 5.039 4.120 0.348 0.000 0.310 23 V C -1.023 174.743 176.094 -0.547 0.000 1.054 23 V CA -0.897 61.130 62.300 -0.454 0.000 0.928 23 V CB 1.471 32.834 31.823 -0.766 0.000 1.007 23 V HN 0.794 nan 8.190 nan 0.000 0.437 24 F N 1.790 121.729 119.950 -0.018 0.000 2.578 24 F HA 0.667 5.402 4.527 0.348 0.000 0.311 24 F C -0.105 175.787 175.800 0.154 0.000 1.094 24 F CA -0.724 57.297 58.000 0.034 0.000 0.923 24 F CB 2.212 41.215 39.000 0.005 0.000 1.230 24 F HN 0.281 nan 8.300 nan 0.000 0.450 25 K N 3.182 123.737 120.400 0.259 0.000 2.427 25 K HA 0.582 5.111 4.320 0.348 0.000 0.252 25 K C -2.978 173.731 176.600 0.181 0.000 0.931 25 K CA -2.124 54.302 56.287 0.230 0.000 0.793 25 K CB 2.452 35.029 32.500 0.128 0.000 1.211 25 K HN 0.164 nan 8.250 nan 0.000 0.426 26 P HA 0.051 nan 4.420 nan 0.000 0.274 26 P C 0.149 177.504 177.300 0.091 0.000 1.237 26 P CA -0.247 62.920 63.100 0.112 0.000 0.793 26 P CB 0.756 32.536 31.700 0.133 0.000 0.977 27 T N -3.207 111.388 114.554 0.069 0.000 3.086 27 T HA 0.122 4.680 4.350 0.348 0.000 0.250 27 T C 0.113 174.918 174.700 0.175 0.000 1.074 27 T CA 0.429 62.589 62.100 0.100 0.000 0.988 27 T CB -0.674 68.247 68.868 0.089 0.000 0.988 27 T HN 0.646 nan 8.240 nan 0.000 0.530 28 H N -0.191 118.919 119.070 0.068 0.000 3.235 28 H HA 0.370 5.134 4.556 0.347 0.000 0.324 28 H C -1.141 174.233 175.328 0.075 0.000 1.059 28 H CA -1.119 54.967 56.048 0.063 0.000 1.497 28 H CB 0.367 30.161 29.762 0.053 0.000 1.986 28 H HN 0.111 nan 8.280 nan 0.000 0.444 29 E N 5.315 125.710 120.200 0.325 0.000 2.868 29 E HA -0.031 4.528 4.350 0.348 0.000 0.246 29 E C 0.058 176.764 176.600 0.177 0.000 0.962 29 E CA 0.388 56.913 56.400 0.209 0.000 0.955 29 E CB 0.231 30.033 29.700 0.170 0.000 0.903 29 E HN 0.584 nan 8.360 nan 0.000 0.524 30 I N 4.138 124.763 120.570 0.091 0.000 2.556 30 I HA -0.047 4.331 4.170 0.348 0.000 0.284 30 I C 1.093 177.271 176.117 0.101 0.000 1.114 30 I CA 0.149 61.483 61.300 0.058 0.000 1.418 30 I CB 0.544 38.604 38.000 0.100 0.000 1.394 30 I HN 0.485 nan 8.210 nan 0.000 0.552 31 Q N 6.387 126.247 119.800 0.099 0.000 2.364 31 Q HA 0.047 4.595 4.340 0.348 0.000 0.267 31 Q C 0.702 176.755 176.000 0.089 0.000 0.999 31 Q CA -0.270 55.591 55.803 0.097 0.000 0.886 31 Q CB 1.061 29.855 28.738 0.094 0.000 1.243 31 Q HN 0.575 nan 8.270 nan 0.000 0.415 32 K N 2.915 123.364 120.400 0.082 0.000 2.032 32 K HA -0.191 4.338 4.320 0.348 0.000 0.209 32 K C 1.394 178.046 176.600 0.087 0.000 1.048 32 K CA 1.937 58.274 56.287 0.083 0.000 0.927 32 K CB -0.049 32.495 32.500 0.072 0.000 0.712 32 K HN 0.726 nan 8.250 nan 0.000 0.441 33 E N 1.421 121.665 120.200 0.073 0.000 2.516 33 E HA -0.091 4.467 4.350 0.348 0.000 0.199 33 E C 1.079 177.726 176.600 0.079 0.000 1.069 33 E CA 0.628 57.070 56.400 0.070 0.000 0.876 33 E CB -0.043 29.685 29.700 0.047 0.000 0.843 33 E HN 0.290 nan 8.360 nan 0.000 0.530 34 K N 0.499 120.952 120.400 0.088 0.000 2.393 34 K HA 0.158 4.687 4.320 0.348 0.000 0.193 34 K C 1.847 178.532 176.600 0.142 0.000 1.026 34 K CA -0.084 56.262 56.287 0.098 0.000 1.064 34 K CB 0.213 32.759 32.500 0.076 0.000 0.833 34 K HN 0.102 nan 8.250 nan 0.000 0.521 35 L N 0.905 122.223 121.223 0.159 0.000 2.005 35 L HA -0.193 4.355 4.340 0.348 0.000 0.207 35 L C 1.642 178.671 176.870 0.267 0.000 1.072 35 L CA 1.096 56.070 54.840 0.223 0.000 0.744 35 L CB -0.466 41.696 42.059 0.172 0.000 0.895 35 L HN 0.163 nan 8.230 nan 0.000 0.433 36 N N 0.323 119.152 118.700 0.215 0.000 2.272 36 N HA -0.171 4.778 4.740 0.348 0.000 0.185 36 N C 1.623 177.306 175.510 0.288 0.000 1.014 36 N CA 1.127 54.318 53.050 0.235 0.000 0.870 36 N CB -0.164 38.432 38.487 0.182 0.000 0.975 36 N HN 0.394 nan 8.380 nan 0.000 0.433 37 K N -0.035 120.519 120.400 0.257 0.000 2.167 37 K HA 0.087 4.615 4.320 0.348 0.000 0.203 37 K C 1.834 178.588 176.600 0.257 0.000 1.052 37 K CA 0.427 56.888 56.287 0.290 0.000 0.956 37 K CB 0.103 32.733 32.500 0.217 0.000 0.735 37 K HN -0.003 nan 8.250 nan 0.000 0.451 38 V N 1.797 121.827 119.914 0.194 0.000 2.283 38 V HA -0.194 4.135 4.120 0.348 0.000 0.243 38 V C 2.520 178.652 176.094 0.062 0.000 1.039 38 V CA 1.448 63.785 62.300 0.062 0.000 1.016 38 V CB -0.481 31.354 31.823 0.021 0.000 0.650 38 V HN 0.315 nan 8.190 nan 0.000 0.449 39 R N -0.491 120.202 120.500 0.321 0.000 2.103 39 R HA -0.271 4.277 4.340 0.348 0.000 0.234 39 R C 2.370 178.845 176.300 0.291 0.000 1.132 39 R CA 2.694 59.041 56.100 0.413 0.000 0.925 39 R CB -0.714 29.871 30.300 0.476 0.000 0.842 39 R HN 0.746 nan 8.270 nan 0.000 0.430 40 W N 1.590 122.986 121.300 0.160 0.000 2.304 40 W HA -0.305 4.564 4.660 0.349 0.000 0.315 40 W C 1.823 178.403 176.519 0.102 0.000 1.233 40 W CA 1.832 59.268 57.345 0.151 0.000 1.261 40 W CB -0.396 29.145 29.460 0.135 0.000 1.150 40 W HN 0.188 nan 8.180 nan 0.000 0.494 41 R N 0.007 120.382 120.500 -0.208 0.000 2.120 41 R HA -0.162 4.387 4.340 0.348 0.000 0.234 41 R C 2.215 178.295 176.300 -0.367 0.000 1.123 41 R CA 1.951 57.826 56.100 -0.374 0.000 0.975 41 R CB -0.661 29.541 30.300 -0.162 0.000 0.866 41 R HN 0.117 nan 8.270 nan 0.000 0.446 42 V N 0.483 120.239 119.914 -0.262 0.000 2.343 42 V HA -0.249 4.079 4.120 0.348 0.000 0.247 42 V C 1.868 177.820 176.094 -0.237 0.000 1.051 42 V CA 1.755 63.883 62.300 -0.288 0.000 1.036 42 V CB -0.577 31.081 31.823 -0.274 0.000 0.654 42 V HN 0.263 nan 8.190 nan 0.000 0.451 43 F N 0.805 120.570 119.950 -0.309 0.000 2.069 43 F HA -0.200 4.535 4.527 0.348 0.000 0.298 43 F C 2.067 177.619 175.800 -0.414 0.000 1.113 43 F CA 1.665 59.477 58.000 -0.312 0.000 1.214 43 F CB -0.546 38.318 39.000 -0.226 0.000 0.978 43 F HN 0.028 nan 8.300 nan 0.000 0.474 44 L N 0.044 120.729 121.223 -0.896 0.000 1.971 44 L HA -0.302 4.246 4.340 0.348 0.000 0.215 44 L C 2.654 179.154 176.870 -0.617 0.000 1.072 44 L CA 1.967 56.265 54.840 -0.903 0.000 0.758 44 L CB -1.307 40.265 42.059 -0.811 0.000 0.889 44 L HN 0.290 nan 8.230 nan 0.000 0.433 45 Q N -0.323 119.193 119.800 -0.473 0.000 1.921 45 Q HA -0.194 4.354 4.340 0.348 0.000 0.208 45 Q C 2.177 177.985 176.000 -0.321 0.000 0.994 45 Q CA 2.350 57.945 55.803 -0.348 0.000 0.857 45 Q CB -0.584 27.967 28.738 -0.311 0.000 0.925 45 Q HN 0.500 nan 8.270 nan 0.000 0.421 46 T N -0.625 113.737 114.554 -0.320 0.000 2.685 46 T HA -0.206 4.353 4.350 0.348 0.000 0.268 46 T C 1.424 175.969 174.700 -0.259 0.000 1.034 46 T CA 1.760 63.705 62.100 -0.259 0.000 1.149 46 T CB -0.643 68.088 68.868 -0.229 0.000 0.860 46 T HN 0.746 nan 8.240 nan 0.000 0.449 47 G N 0.598 109.168 108.800 -0.384 0.000 2.253 47 G HA2 -0.249 3.919 3.960 0.348 0.000 0.251 47 G HA3 -0.249 3.919 3.960 0.348 0.000 0.251 47 G C 0.093 174.829 174.900 -0.274 0.000 0.998 47 G CA 0.221 45.069 45.100 -0.420 0.000 0.621 47 G HN 0.553 nan 8.290 nan 0.000 0.524 48 L N 1.602 122.747 121.223 -0.130 0.000 2.343 48 L HA 0.514 5.062 4.340 0.348 0.000 0.275 48 L C -1.867 175.070 176.870 0.111 0.000 1.056 48 L CA -2.430 52.381 54.840 -0.048 0.000 0.804 48 L CB 1.220 43.223 42.059 -0.094 0.000 1.203 48 L HN -0.160 nan 8.230 nan 0.000 0.440 49 P HA 0.014 nan 4.420 nan 0.000 0.267 49 P C -0.890 176.400 177.300 -0.017 0.000 1.195 49 P CA 0.253 63.204 63.100 -0.248 0.000 0.773 49 P CB 0.458 31.709 31.700 -0.748 0.000 0.837 50 T N 1.975 116.566 114.554 0.062 0.000 3.295 50 T HA 0.541 5.100 4.350 0.348 0.000 0.331 50 T C -0.995 173.857 174.700 0.254 0.000 1.142 50 T CA -0.358 61.840 62.100 0.163 0.000 1.078 50 T CB 0.310 69.290 68.868 0.186 0.000 1.150 50 T HN 0.263 nan 8.240 nan 0.000 0.465 51 F N 0.054 120.209 119.950 0.341 0.000 2.593 51 F HA 0.804 5.539 4.527 0.348 0.000 0.320 51 F C -0.296 175.615 175.800 0.184 0.000 1.060 51 F CA -1.693 56.437 58.000 0.217 0.000 0.940 51 F CB 1.351 40.445 39.000 0.157 0.000 1.268 51 F HN 0.390 nan 8.300 nan 0.000 0.475 52 R N 2.202 122.908 120.500 0.342 0.000 2.202 52 R HA 0.398 4.946 4.340 0.348 0.000 0.334 52 R C -0.794 175.605 176.300 0.166 0.000 1.036 52 R CA -0.678 55.448 56.100 0.043 0.000 0.878 52 R CB 0.709 30.958 30.300 -0.085 0.000 1.067 52 R HN 0.901 nan 8.270 nan 0.000 0.457 53 R N 4.378 124.966 120.500 0.148 0.000 2.287 53 R HA 0.089 4.638 4.340 0.348 0.000 0.316 53 R C -0.365 175.984 176.300 0.081 0.000 1.050 53 R CA -0.196 55.961 56.100 0.095 0.000 0.983 53 R CB 0.294 30.573 30.300 -0.035 0.000 1.140 53 R HN 0.782 nan 8.270 nan 0.000 0.528 54 E N 1.553 121.771 120.200 0.029 0.000 3.063 54 E HA -0.262 4.297 4.350 0.348 0.000 0.330 54 E C 0.171 176.766 176.600 -0.007 0.000 1.434 54 E CA 1.813 58.233 56.400 0.033 0.000 1.556 54 E CB -0.899 28.848 29.700 0.079 0.000 1.827 54 E HN 0.843 nan 8.360 nan 0.000 0.526 55 D N 2.318 122.742 120.400 0.040 0.000 2.363 55 D HA 0.012 4.861 4.640 0.348 0.000 0.220 55 D C 0.429 176.749 176.300 0.034 0.000 0.994 55 D CA 0.852 54.881 54.000 0.049 0.000 0.890 55 D CB -0.083 40.783 40.800 0.110 0.000 0.906 55 D HN 0.290 nan 8.370 nan 0.000 0.530 56 E N -0.619 119.610 120.200 0.048 0.000 2.222 56 E HA 0.503 5.062 4.350 0.348 0.000 0.267 56 E C -0.893 175.782 176.600 0.125 0.000 0.963 56 E CA -0.807 55.713 56.400 0.199 0.000 0.837 56 E CB 1.424 31.314 29.700 0.318 0.000 1.183 56 E HN -0.068 nan 8.360 nan 0.000 0.403 57 F N 0.794 120.962 119.950 0.363 0.000 2.477 57 F HA 0.321 5.056 4.527 0.348 0.000 0.335 57 F C -0.923 175.086 175.800 0.348 0.000 1.130 57 F CA -0.701 57.508 58.000 0.347 0.000 0.948 57 F CB 1.007 40.134 39.000 0.211 0.000 1.154 57 F HN 0.328 nan 8.300 nan 0.000 0.439 58 W N 3.307 124.637 121.300 0.049 0.000 2.329 58 W HA 0.554 5.423 4.660 0.348 0.000 0.312 58 W C -1.021 175.574 176.519 0.127 0.000 1.054 58 W CA -1.047 56.279 57.345 -0.033 0.000 1.245 58 W CB 1.545 30.599 29.460 -0.678 0.000 1.255 58 W HN 0.324 nan 8.180 nan 0.000 0.436 59 C N 3.783 123.317 119.300 0.389 0.000 2.239 59 C HA 0.522 5.191 4.460 0.348 0.000 0.323 59 C C 1.193 176.040 174.990 -0.237 0.000 1.205 59 C CA -0.952 58.151 59.018 0.141 0.000 1.584 59 C CB -0.609 27.229 27.740 0.162 0.000 2.201 59 C HN 0.760 nan 8.230 nan 0.000 0.475 60 A N 3.396 125.880 122.820 -0.560 0.000 3.179 60 A HA 0.487 5.015 4.320 0.348 0.000 0.268 60 A C 0.937 178.271 177.584 -0.417 0.000 2.022 60 A CA 0.897 52.347 52.037 -0.979 0.000 1.504 60 A CB -0.961 17.772 19.000 -0.445 0.000 0.897 60 A HN 1.312 nan 8.150 nan 0.000 0.600 61 G N -0.172 108.434 108.800 -0.323 0.000 2.328 61 G HA2 0.409 4.578 3.960 0.348 0.000 0.295 61 G HA3 0.409 4.578 3.960 0.348 0.000 0.295 61 G C -1.129 173.732 174.900 -0.065 0.000 1.413 61 G CA -1.056 43.968 45.100 -0.127 0.000 0.817 61 G HN 0.317 nan 8.290 nan 0.000 0.546 62 K N -0.490 119.896 120.400 -0.024 0.000 2.174 62 K HA 0.638 5.166 4.320 0.348 0.000 0.275 62 K C -0.787 175.818 176.600 0.010 0.000 1.015 62 K CA -0.564 55.720 56.287 -0.005 0.000 0.933 62 K CB 2.125 34.625 32.500 -0.001 0.000 1.025 62 K HN 0.223 nan 8.250 nan 0.000 0.463 63 V N 3.056 122.988 119.914 0.030 0.000 2.524 63 V HA 0.072 4.401 4.120 0.348 0.000 0.297 63 V C 0.098 176.220 176.094 0.047 0.000 1.035 63 V CA -0.640 61.705 62.300 0.075 0.000 0.867 63 V CB 1.387 33.353 31.823 0.239 0.000 1.004 63 V HN 0.915 nan 8.190 nan 0.000 0.426 64 E N 3.199 123.416 120.200 0.028 0.000 2.481 64 E HA 0.224 4.782 4.350 0.348 0.000 0.198 64 E C 0.499 177.110 176.600 0.017 0.000 1.027 64 E CA -0.323 56.082 56.400 0.008 0.000 0.900 64 E CB 0.624 30.322 29.700 -0.003 0.000 0.993 64 E HN 0.431 nan 8.360 nan 0.000 0.482 65 K N 2.982 123.409 120.400 0.045 0.000 2.315 65 K HA -0.008 4.521 4.320 0.348 0.000 0.291 65 K C 0.171 176.821 176.600 0.083 0.000 1.074 65 K CA 0.039 56.354 56.287 0.047 0.000 0.936 65 K CB 0.569 33.086 32.500 0.030 0.000 1.049 65 K HN 0.298 nan 8.250 nan 0.000 0.471 66 D N 1.756 122.174 120.400 0.031 0.000 2.363 66 D HA -0.054 4.795 4.640 0.348 0.000 0.226 66 D C -0.272 176.040 176.300 0.020 0.000 1.020 66 D CA 0.348 54.354 54.000 0.010 0.000 0.892 66 D CB 0.351 41.135 40.800 -0.027 0.000 0.900 66 D HN 0.202 nan 8.370 nan 0.000 0.531 67 T N 0.301 114.849 114.554 -0.009 0.000 2.896 67 T HA 0.525 5.084 4.350 0.348 0.000 0.297 67 T C -1.151 173.403 174.700 -0.242 0.000 1.108 67 T CA -0.766 61.238 62.100 -0.160 0.000 1.004 67 T CB 2.445 71.137 68.868 -0.294 0.000 1.159 67 T HN -0.092 nan 8.240 nan 0.000 0.499 68 L N 2.177 123.139 121.223 -0.434 0.000 2.482 68 L HA 0.509 5.058 4.340 0.348 0.000 0.269 68 L C -1.814 174.763 176.870 -0.488 0.000 0.967 68 L CA -0.716 53.886 54.840 -0.398 0.000 0.851 68 L CB 1.152 42.947 42.059 -0.439 0.000 1.242 68 L HN 0.697 nan 8.230 nan 0.000 0.404 69 Y N 5.049 125.277 120.300 -0.120 0.000 2.331 69 Y HA 0.693 5.452 4.550 0.347 0.000 0.338 69 Y C -0.402 175.418 175.900 -0.133 0.000 0.992 69 Y CA -0.736 57.300 58.100 -0.108 0.000 1.121 69 Y CB 1.465 39.880 38.460 -0.076 0.000 1.184 69 Y HN 0.317 nan 8.280 nan 0.000 0.469 70 L N 3.756 124.981 121.223 0.004 0.000 2.427 70 L HA 0.412 4.960 4.340 0.348 0.000 0.264 70 L C -0.425 176.426 176.870 -0.032 0.000 0.989 70 L CA -0.703 54.099 54.840 -0.063 0.000 0.865 70 L CB 1.371 43.344 42.059 -0.142 0.000 1.209 70 L HN 0.578 nan 8.230 nan 0.000 0.430 71 T N 3.534 118.072 114.554 -0.027 0.000 2.853 71 T HA 0.370 4.929 4.350 0.348 0.000 0.298 71 T C 0.653 175.342 174.700 -0.019 0.000 0.978 71 T CA -0.314 61.770 62.100 -0.027 0.000 1.152 71 T CB 0.460 69.304 68.868 -0.041 0.000 0.914 71 T HN 0.270 nan 8.240 nan 0.000 0.539 72 L N 2.325 123.544 121.223 -0.007 0.000 2.543 72 L HA 0.270 4.819 4.340 0.348 0.000 0.231 72 L C 2.193 179.061 176.870 -0.003 0.000 1.194 72 L CA -0.819 54.031 54.840 0.017 0.000 0.823 72 L CB -0.103 41.972 42.059 0.028 0.000 1.374 72 L HN 0.799 nan 8.230 nan 0.000 0.507 73 S N -0.655 115.053 115.700 0.013 0.000 2.399 73 S HA -0.170 4.509 4.470 0.348 0.000 0.231 73 S C 1.250 175.805 174.600 -0.075 0.000 1.022 73 S CA 1.450 59.633 58.200 -0.029 0.000 0.983 73 S CB -0.587 62.617 63.200 0.005 0.000 0.803 73 S HN 0.712 nan 8.310 nan 0.000 0.480 74 N N 1.727 120.397 118.700 -0.050 0.000 2.573 74 N HA 0.211 5.160 4.740 0.348 0.000 0.187 74 N C 1.289 176.761 175.510 -0.062 0.000 1.107 74 N CA 0.926 53.942 53.050 -0.056 0.000 0.918 74 N CB -0.444 38.025 38.487 -0.030 0.000 0.966 74 N HN 0.715 nan 8.380 nan 0.000 0.448 75 G N 0.309 109.070 108.800 -0.064 0.000 2.176 75 G HA2 -0.337 3.831 3.960 0.348 0.000 0.253 75 G HA3 -0.337 3.831 3.960 0.348 0.000 0.253 75 G C -0.073 174.804 174.900 -0.039 0.000 0.979 75 G CA 0.169 45.231 45.100 -0.064 0.000 0.641 75 G HN 0.508 nan 8.290 nan 0.000 0.530 76 E N 0.522 120.708 120.200 -0.023 0.000 2.299 76 E HA 0.424 4.983 4.350 0.348 0.000 0.272 76 E C 0.375 176.974 176.600 -0.001 0.000 1.043 76 E CA -0.620 55.778 56.400 -0.003 0.000 0.895 76 E CB 0.137 29.843 29.700 0.010 0.000 1.011 76 E HN 0.380 nan 8.360 nan 0.000 0.432 77 I N 5.532 126.107 120.570 0.008 0.000 2.301 77 I HA 0.113 4.491 4.170 0.348 0.000 0.292 77 I C -0.327 175.809 176.117 0.032 0.000 1.046 77 I CA -0.736 60.577 61.300 0.023 0.000 1.282 77 I CB 1.280 39.300 38.000 0.032 0.000 1.409 77 I HN 0.316 nan 8.210 nan 0.000 0.484 78 V N 6.809 126.720 119.914 -0.005 0.000 2.498 78 V HA 0.153 4.482 4.120 0.348 0.000 0.279 78 V C 0.359 176.435 176.094 -0.030 0.000 1.048 78 V CA -0.309 61.960 62.300 -0.050 0.000 0.967 78 V CB 1.369 33.132 31.823 -0.100 0.000 0.988 78 V HN 0.715 nan 8.190 nan 0.000 0.473 79 E N 4.968 125.156 120.200 -0.019 0.000 2.191 79 E HA 0.631 5.190 4.350 0.348 0.000 0.274 79 E C -1.590 174.940 176.600 -0.117 0.000 0.948 79 E CA -0.702 55.660 56.400 -0.063 0.000 0.802 79 E CB 1.460 31.193 29.700 0.054 0.000 1.137 79 E HN 0.593 nan 8.360 nan 0.000 0.397 80 L N 3.953 125.065 121.223 -0.186 0.000 2.381 80 L HA 0.478 5.026 4.340 0.348 0.000 0.274 80 L C -0.171 176.688 176.870 -0.017 0.000 0.988 80 L CA -0.934 53.863 54.840 -0.071 0.000 0.824 80 L CB 1.730 43.742 42.059 -0.078 0.000 1.263 80 L HN 0.379 nan 8.230 nan 0.000 0.410 81 K N 2.317 122.733 120.400 0.026 0.000 2.202 81 K HA 0.346 4.875 4.320 0.348 0.000 0.264 81 K C -0.202 176.421 176.600 0.039 0.000 1.010 81 K CA -0.676 55.622 56.287 0.019 0.000 0.940 81 K CB 1.263 33.764 32.500 0.000 0.000 0.983 81 K HN 0.470 nan 8.250 nan 0.000 0.475 82 R N 2.697 123.150 120.500 -0.080 0.000 2.196 82 R HA 0.086 4.635 4.340 0.348 0.000 0.340 82 R C 0.548 176.655 176.300 -0.321 0.000 1.043 82 R CA -0.199 55.650 56.100 -0.418 0.000 0.883 82 R CB 0.645 30.694 30.300 -0.418 0.000 1.078 82 R HN 0.494 nan 8.270 nan 0.000 0.462 83 V N 3.852 123.558 119.914 -0.346 0.000 2.255 83 V HA 0.125 4.454 4.120 0.348 0.000 0.243 83 V C 1.128 177.079 176.094 -0.238 0.000 1.038 83 V CA 1.920 64.086 62.300 -0.224 0.000 1.008 83 V CB -0.394 31.316 31.823 -0.188 0.000 0.645 83 V HN 1.066 nan 8.190 nan 0.000 0.449 84 G N -0.885 107.719 108.800 -0.327 0.000 2.361 84 G HA2 0.084 4.253 3.960 0.348 0.000 0.305 84 G HA3 0.084 4.253 3.960 0.348 0.000 0.305 84 G C -1.250 173.495 174.900 -0.259 0.000 1.367 84 G CA -0.860 44.086 45.100 -0.257 0.000 0.951 84 G HN 0.186 nan 8.290 nan 0.000 0.615 85 E N 0.360 120.458 120.200 -0.170 0.000 2.413 85 E HA 0.328 4.886 4.350 0.348 0.000 0.263 85 E C -0.211 176.317 176.600 -0.120 0.000 1.015 85 E CA 0.425 56.754 56.400 -0.118 0.000 0.916 85 E CB 1.292 30.966 29.700 -0.042 0.000 0.947 85 E HN 0.483 nan 8.360 nan 0.000 0.440 86 E N 1.316 121.442 120.200 -0.124 0.000 2.367 86 E HA 0.191 4.750 4.350 0.348 0.000 0.273 86 E C -0.956 175.743 176.600 0.165 0.000 0.903 86 E CA -0.776 55.593 56.400 -0.053 0.000 0.764 86 E CB 1.788 31.346 29.700 -0.236 0.000 1.252 86 E HN 0.309 nan 8.360 nan 0.000 0.446 87 E N 1.640 121.971 120.200 0.219 0.000 2.167 87 E HA 0.114 4.673 4.350 0.348 0.000 0.284 87 E C -0.885 175.924 176.600 0.347 0.000 1.016 87 E CA -0.345 56.221 56.400 0.278 0.000 0.817 87 E CB 0.638 30.436 29.700 0.164 0.000 1.080 87 E HN 0.364 nan 8.360 nan 0.000 0.397 88 F N 3.999 124.089 119.950 0.233 0.000 2.490 88 F HA 0.089 4.824 4.527 0.347 0.000 0.357 88 F C 1.197 176.993 175.800 -0.006 0.000 1.166 88 F CA 0.090 58.129 58.000 0.066 0.000 1.116 88 F CB 0.254 39.181 39.000 -0.122 0.000 1.171 88 F HN 0.343 nan 8.300 nan 0.000 0.576 89 R N 3.250 123.452 120.500 -0.496 0.000 2.100 89 R HA 0.324 4.872 4.340 0.348 0.000 0.220 89 R C 0.787 176.554 176.300 -0.889 0.000 1.091 89 R CA 0.607 56.414 56.100 -0.488 0.000 0.986 89 R CB -0.001 30.144 30.300 -0.258 0.000 0.888 89 R HN 0.850 nan 8.270 nan 0.000 0.444 90 G N -1.607 106.380 108.800 -1.356 0.000 2.342 90 G HA2 0.241 4.409 3.960 0.348 0.000 0.297 90 G HA3 0.241 4.409 3.960 0.348 0.000 0.297 90 G C -1.456 172.976 174.900 -0.781 0.000 1.313 90 G CA -0.982 43.350 45.100 -1.279 0.000 0.830 90 G HN 0.000 nan 8.290 nan 0.000 0.506 91 F N 0.493 120.381 119.950 -0.102 0.000 2.384 91 F HA 0.338 5.074 4.527 0.349 0.000 0.338 91 F C 1.806 177.612 175.800 0.009 0.000 1.103 91 F CA -0.333 57.688 58.000 0.035 0.000 1.157 91 F CB 1.820 41.032 39.000 0.353 0.000 1.167 91 F HN 0.384 nan 8.300 nan 0.000 0.529 92 Q N 1.403 121.298 119.800 0.159 0.000 2.408 92 Q HA 0.095 4.644 4.340 0.348 0.000 0.205 92 Q C -0.833 175.253 176.000 0.144 0.000 0.919 92 Q CA 0.152 56.010 55.803 0.091 0.000 0.932 92 Q CB 0.177 28.912 28.738 -0.006 0.000 1.058 92 Q HN 0.769 nan 8.270 nan 0.000 0.517 93 N N -2.600 116.183 118.700 0.138 0.000 4.104 93 N HA -0.077 4.872 4.740 0.348 0.000 0.214 93 N C -0.110 175.155 175.510 -0.409 0.000 1.270 93 N CA -0.502 52.565 53.050 0.029 0.000 0.894 93 N CB 0.319 38.798 38.487 -0.014 0.000 1.495 93 N HN -0.085 nan 8.380 nan 0.000 0.506 94 E N -0.076 119.820 120.200 -0.507 0.000 2.147 94 E HA -0.358 4.200 4.350 0.348 0.000 0.199 94 E C 1.240 177.536 176.600 -0.506 0.000 1.005 94 E CA 0.959 56.931 56.400 -0.714 0.000 0.810 94 E CB 0.002 29.496 29.700 -0.342 0.000 0.736 94 E HN 0.581 nan 8.360 nan 0.000 0.460 95 R N 1.238 121.558 120.500 -0.302 0.000 2.073 95 R HA -0.165 4.383 4.340 0.348 0.000 0.234 95 R C 2.122 178.280 176.300 -0.236 0.000 1.134 95 R CA 1.957 57.940 56.100 -0.195 0.000 0.952 95 R CB -0.058 30.185 30.300 -0.096 0.000 0.850 95 R HN 0.362 nan 8.270 nan 0.000 0.433 96 E N -0.272 119.724 120.200 -0.340 0.000 2.077 96 E HA -0.224 4.335 4.350 0.348 0.000 0.193 96 E C 2.257 178.444 176.600 -0.688 0.000 0.989 96 E CA 1.235 57.379 56.400 -0.428 0.000 0.800 96 E CB -0.448 28.843 29.700 -0.681 0.000 0.746 96 E HN 0.362 nan 8.360 nan 0.000 0.452 97 C N 1.367 119.977 119.300 -1.149 0.000 2.413 97 C HA -0.201 4.468 4.460 0.348 0.000 0.276 97 C C 2.888 177.644 174.990 -0.390 0.000 1.236 97 C CA 1.536 59.775 59.018 -1.299 0.000 1.735 97 C CB -0.790 26.167 27.740 -1.306 0.000 2.031 97 C HN 0.473 nan 8.230 nan 0.000 0.474 98 Q N 0.150 119.765 119.800 -0.309 0.000 2.096 98 Q HA -0.243 4.305 4.340 0.348 0.000 0.204 98 Q C 2.078 178.085 176.000 0.010 0.000 0.982 98 Q CA 2.340 58.084 55.803 -0.098 0.000 0.850 98 Q CB -0.126 28.545 28.738 -0.111 0.000 0.901 98 Q HN 0.768 nan 8.270 nan 0.000 0.422 99 E N 0.097 120.293 120.200 -0.006 0.000 2.007 99 E HA -0.206 4.352 4.350 0.348 0.000 0.194 99 E C 2.045 178.705 176.600 0.100 0.000 0.999 99 E CA 1.195 57.633 56.400 0.063 0.000 0.811 99 E CB -0.242 29.532 29.700 0.124 0.000 0.762 99 E HN 0.262 nan 8.360 nan 0.000 0.450 100 L N 0.557 121.923 121.223 0.239 0.000 2.021 100 L HA -0.240 4.309 4.340 0.348 0.000 0.215 100 L C 2.227 179.347 176.870 0.417 0.000 1.074 100 L CA 1.651 56.730 54.840 0.399 0.000 0.760 100 L CB -0.429 42.044 42.059 0.691 0.000 0.889 100 L HN 0.147 nan 8.230 nan 0.000 0.433 101 F N 0.180 120.220 119.950 0.151 0.000 2.069 101 F HA -0.236 4.500 4.527 0.347 0.000 0.298 101 F C 2.581 178.211 175.800 -0.282 0.000 1.113 101 F CA 1.753 59.559 58.000 -0.324 0.000 1.214 101 F CB -0.366 38.314 39.000 -0.534 0.000 0.978 101 F HN -0.021 nan 8.300 nan 0.000 0.474 102 R N 0.184 120.554 120.500 -0.217 0.000 2.096 102 R HA -0.215 4.334 4.340 0.348 0.000 0.240 102 R C 1.879 177.937 176.300 -0.403 0.000 1.139 102 R CA 1.942 57.847 56.100 -0.324 0.000 0.952 102 R CB -0.926 29.296 30.300 -0.131 0.000 0.854 102 R HN 0.305 nan 8.270 nan 0.000 0.436 103 D N -0.119 120.038 120.400 -0.405 0.000 2.149 103 D HA -0.144 4.705 4.640 0.348 0.000 0.198 103 D C 1.615 177.579 176.300 -0.560 0.000 0.990 103 D CA 1.147 54.705 54.000 -0.737 0.000 0.839 103 D CB -0.217 40.057 40.800 -0.877 0.000 0.948 103 D HN 0.124 nan 8.370 nan 0.000 0.460 104 F N 0.169 119.842 119.950 -0.463 0.000 2.234 104 F HA -0.053 4.683 4.527 0.347 0.000 0.299 104 F C 2.161 177.631 175.800 -0.549 0.000 1.087 104 F CA 0.519 58.244 58.000 -0.458 0.000 1.340 104 F CB -0.080 38.629 39.000 -0.484 0.000 1.031 104 F HN -0.038 nan 8.300 nan 0.000 0.500 105 L N -0.993 119.905 121.223 -0.542 0.000 2.056 105 L HA -0.214 4.334 4.340 0.348 0.000 0.207 105 L C 2.358 179.058 176.870 -0.283 0.000 1.078 105 L CA 1.523 56.034 54.840 -0.549 0.000 0.749 105 L CB -1.148 40.489 42.059 -0.703 0.000 0.901 105 L HN 0.055 nan 8.230 nan 0.000 0.433 106 T N -0.726 113.700 114.554 -0.214 0.000 2.746 106 T HA -0.199 4.360 4.350 0.348 0.000 0.267 106 T C 1.981 176.690 174.700 0.017 0.000 1.039 106 T CA 1.116 63.194 62.100 -0.036 0.000 1.142 106 T CB -0.087 68.836 68.868 0.091 0.000 0.866 106 T HN 0.181 nan 8.240 nan 0.000 0.444 107 K N 0.650 121.039 120.400 -0.019 0.000 2.148 107 K HA -0.103 4.426 4.320 0.348 0.000 0.204 107 K C 2.437 179.006 176.600 -0.051 0.000 1.050 107 K CA 1.636 57.915 56.287 -0.014 0.000 0.942 107 K CB -0.127 32.307 32.500 -0.110 0.000 0.724 107 K HN 0.539 nan 8.250 nan 0.000 0.446 108 T N -2.860 111.644 114.554 -0.084 0.000 3.037 108 T HA 0.127 4.685 4.350 0.348 0.000 0.252 108 T C 0.602 175.294 174.700 -0.013 0.000 1.073 108 T CA 0.071 62.144 62.100 -0.045 0.000 1.091 108 T CB 0.215 69.052 68.868 -0.051 0.000 0.935 108 T HN 0.163 nan 8.240 nan 0.000 0.488 109 K N -0.049 120.332 120.400 -0.031 0.000 3.395 109 K HA -0.143 4.385 4.320 0.348 0.000 0.293 109 K C 1.015 177.637 176.600 0.036 0.000 1.344 109 K CA 0.558 56.850 56.287 0.008 0.000 0.864 109 K CB -2.150 30.367 32.500 0.027 0.000 1.483 109 K HN 0.408 nan 8.250 nan 0.000 0.497 110 V N -0.051 119.869 119.914 0.009 0.000 2.239 110 V HA -0.226 4.103 4.120 0.348 0.000 0.242 110 V C 2.394 178.610 176.094 0.202 0.000 1.038 110 V CA 2.043 64.396 62.300 0.089 0.000 1.002 110 V CB -0.468 31.379 31.823 0.039 0.000 0.641 110 V HN 0.329 nan 8.190 nan 0.000 0.449 111 K N 0.248 120.755 120.400 0.177 0.000 2.127 111 K HA -0.327 4.201 4.320 0.348 0.000 0.212 111 K C 1.798 178.546 176.600 0.246 0.000 1.050 111 K CA 2.527 58.968 56.287 0.256 0.000 0.929 111 K CB -0.342 32.229 32.500 0.117 0.000 0.715 111 K HN 0.526 nan 8.250 nan 0.000 0.457 112 D N -0.160 120.328 120.400 0.146 0.000 2.084 112 D HA -0.125 4.723 4.640 0.348 0.000 0.196 112 D C 1.707 178.091 176.300 0.140 0.000 0.985 112 D CA 1.144 55.215 54.000 0.119 0.000 0.826 112 D CB -0.059 40.784 40.800 0.072 0.000 0.978 112 D HN 0.211 nan 8.370 nan 0.000 0.456 113 K N -0.646 119.844 120.400 0.150 0.000 2.209 113 K HA -0.148 4.380 4.320 0.348 0.000 0.204 113 K C 1.971 178.692 176.600 0.202 0.000 1.048 113 K CA 0.612 56.986 56.287 0.146 0.000 0.940 113 K CB -0.155 32.426 32.500 0.135 0.000 0.729 113 K HN 0.068 nan 8.250 nan 0.000 0.451 114 F N 1.036 121.065 119.950 0.133 0.000 2.098 114 F HA -0.071 4.664 4.527 0.348 0.000 0.294 114 F C 1.663 177.586 175.800 0.206 0.000 1.107 114 F CA 1.146 59.250 58.000 0.173 0.000 1.234 114 F CB -0.221 38.871 39.000 0.154 0.000 1.002 114 F HN -0.098 nan 8.300 nan 0.000 0.472 115 I N -0.214 120.346 120.570 -0.017 0.000 2.454 115 I HA -0.287 4.092 4.170 0.348 0.000 0.254 115 I C 2.417 178.584 176.117 0.083 0.000 1.156 115 I CA 1.213 62.472 61.300 -0.069 0.000 1.433 115 I CB -0.534 37.519 38.000 0.089 0.000 1.082 115 I HN 0.119 nan 8.210 nan 0.000 0.432 116 S N 0.140 115.877 115.700 0.062 0.000 2.338 116 S HA -0.178 4.501 4.470 0.348 0.000 0.218 116 S C 1.682 176.330 174.600 0.080 0.000 1.032 116 S CA 1.342 59.589 58.200 0.078 0.000 0.999 116 S CB -0.268 62.961 63.200 0.050 0.000 0.905 116 S HN 0.426 nan 8.310 nan 0.000 0.439 117 D N 0.734 121.157 120.400 0.037 0.000 2.133 117 D HA -0.115 4.734 4.640 0.348 0.000 0.195 117 D C 1.573 177.851 176.300 -0.037 0.000 0.997 117 D CA 0.904 54.916 54.000 0.020 0.000 0.840 117 D CB -0.397 40.458 40.800 0.092 0.000 0.947 117 D HN 0.348 nan 8.370 nan 0.000 0.452 118 F N 0.050 119.851 119.950 -0.249 0.000 2.134 118 F HA -0.245 4.491 4.527 0.349 0.000 0.299 118 F C 2.125 177.863 175.800 -0.103 0.000 1.097 118 F CA 1.299 59.163 58.000 -0.228 0.000 1.264 118 F CB -0.302 38.414 39.000 -0.474 0.000 1.001 118 F HN -0.048 nan 8.300 nan 0.000 0.479 119 Y N 0.737 121.070 120.300 0.055 0.000 2.089 119 Y HA -0.230 4.528 4.550 0.347 0.000 0.282 119 Y C 2.455 178.289 175.900 -0.111 0.000 1.139 119 Y CA 2.032 60.139 58.100 0.012 0.000 1.123 119 Y CB -0.636 37.852 38.460 0.048 0.000 0.980 119 Y HN -0.114 nan 8.280 nan 0.000 0.493 120 K N -0.054 120.383 120.400 0.062 0.000 2.259 120 K HA -0.313 4.215 4.320 0.348 0.000 0.206 120 K C 1.980 178.466 176.600 -0.190 0.000 1.044 120 K CA 2.065 58.325 56.287 -0.045 0.000 0.931 120 K CB -0.159 32.315 32.500 -0.044 0.000 0.726 120 K HN 0.247 nan 8.250 nan 0.000 0.467 121 K N -0.561 119.610 120.400 -0.381 0.000 2.190 121 K HA 0.056 4.585 4.320 0.348 0.000 0.202 121 K C 0.839 176.896 176.600 -0.905 0.000 1.045 121 K CA 0.615 56.447 56.287 -0.758 0.000 0.976 121 K CB 0.368 32.178 32.500 -1.149 0.000 0.849 121 K HN -0.007 nan 8.250 nan 0.000 0.468 122 F N 0.051 119.737 119.950 -0.439 0.000 2.698 122 F HA 0.340 5.076 4.527 0.348 0.000 0.304 122 F C 1.548 177.194 175.800 -0.258 0.000 1.108 122 F CA -0.642 57.113 58.000 -0.408 0.000 1.263 122 F CB 0.484 39.085 39.000 -0.666 0.000 1.013 122 F HN -0.087 nan 8.300 nan 0.000 0.532 123 R N 1.318 121.783 120.500 -0.059 0.000 2.113 123 R HA -0.230 4.319 4.340 0.348 0.000 0.244 123 R C 1.049 177.399 176.300 0.084 0.000 1.142 123 R CA 2.803 58.942 56.100 0.065 0.000 0.953 123 R CB -0.297 30.115 30.300 0.186 0.000 0.860 123 R HN 0.330 nan 8.270 nan 0.000 0.438 124 D N -0.292 120.141 120.400 0.055 0.000 2.084 124 D HA -0.131 4.718 4.640 0.348 0.000 0.196 124 D C 1.515 177.845 176.300 0.049 0.000 0.985 124 D CA 1.239 55.271 54.000 0.053 0.000 0.826 124 D CB -0.032 40.785 40.800 0.028 0.000 0.978 124 D HN 0.148 nan 8.370 nan 0.000 0.456 125 K N -0.136 120.294 120.400 0.049 0.000 2.585 125 K HA 0.028 4.557 4.320 0.348 0.000 0.194 125 K C 1.214 177.821 176.600 0.011 0.000 1.037 125 K CA 0.431 56.734 56.287 0.027 0.000 0.964 125 K CB 0.103 32.622 32.500 0.032 0.000 0.787 125 K HN 0.285 nan 8.250 nan 0.000 0.488 126 I N -0.260 120.335 120.570 0.041 0.000 3.939 126 I HA -0.048 4.330 4.170 0.348 0.000 0.313 126 I C 0.086 176.259 176.117 0.092 0.000 1.274 126 I CA 0.183 61.514 61.300 0.053 0.000 1.301 126 I CB 0.657 38.679 38.000 0.038 0.000 1.105 126 I HN -0.020 nan 8.210 nan 0.000 0.427 127 T N 0.999 115.624 114.554 0.118 0.000 2.875 127 T HA 0.601 5.160 4.350 0.348 0.000 0.284 127 T C -0.313 174.434 174.700 0.079 0.000 0.995 127 T CA -0.475 61.719 62.100 0.158 0.000 1.060 127 T CB 2.490 71.474 68.868 0.193 0.000 0.967 127 T HN -0.205 nan 8.240 nan 0.000 0.476 128 V N 2.016 121.973 119.914 0.072 0.000 2.851 128 V HA 0.335 4.664 4.120 0.348 0.000 0.307 128 V C -0.135 175.966 176.094 0.011 0.000 1.129 128 V CA -0.862 61.451 62.300 0.022 0.000 0.932 128 V CB 2.206 34.029 31.823 0.000 0.000 1.024 128 V HN 0.913 nan 8.190 nan 0.000 0.426 129 Q N 1.481 121.275 119.800 -0.010 0.000 2.500 129 Q HA 0.796 5.345 4.340 0.348 0.000 0.173 129 Q C 0.313 176.303 176.000 -0.017 0.000 1.079 129 Q CA 0.439 56.229 55.803 -0.021 0.000 0.960 129 Q CB 1.254 29.974 28.738 -0.030 0.000 2.832 129 Q HN 1.198 nan 8.270 nan 0.000 0.476 130 G N 0.417 109.205 108.800 -0.020 0.000 2.486 130 G HA2 0.016 4.185 3.960 0.348 0.000 0.220 130 G HA3 0.016 4.185 3.960 0.348 0.000 0.220 130 G C -0.262 174.627 174.900 -0.017 0.000 1.313 130 G CA 0.130 45.221 45.100 -0.016 0.000 1.187 130 G HN 0.693 nan 8.290 nan 0.000 0.599 131 K N 0.682 121.072 120.400 -0.016 0.000 9.541 131 K HA -0.432 4.097 4.320 0.348 0.000 0.451 131 K C 1.195 177.784 176.600 -0.019 0.000 0.496 131 K CA 2.690 58.968 56.287 -0.015 0.000 1.598 131 K CB -1.248 31.245 32.500 -0.011 0.000 0.800 131 K HN 0.564 nan 8.250 nan 0.000 1.128 132 N N 0.361 119.048 118.700 -0.021 0.000 2.517 132 N HA 0.182 5.131 4.740 0.348 0.000 0.202 132 N C 0.411 175.906 175.510 -0.024 0.000 1.042 132 N CA 0.593 53.630 53.050 -0.022 0.000 0.952 132 N CB 0.117 38.592 38.487 -0.020 0.000 1.211 132 N HN 0.342 nan 8.380 nan 0.000 0.458 133 R N 0.980 121.466 120.500 -0.023 0.000 2.726 133 R HA 0.185 4.733 4.340 0.348 0.000 0.272 133 R C -0.273 176.019 176.300 -0.013 0.000 1.097 133 R CA 0.122 56.216 56.100 -0.011 0.000 1.198 133 R CB 0.543 30.839 30.300 -0.006 0.000 1.114 133 R HN 0.020 nan 8.270 nan 0.000 0.550 134 K N 1.276 121.678 120.400 0.003 0.000 2.350 134 K HA 0.548 5.077 4.320 0.348 0.000 0.241 134 K C -1.190 175.500 176.600 0.151 0.000 0.994 134 K CA -0.664 55.619 56.287 -0.007 0.000 0.839 134 K CB 1.334 33.713 32.500 -0.202 0.000 1.244 134 K HN 0.415 nan 8.250 nan 0.000 0.443 135 I N 1.592 122.279 120.570 0.196 0.000 2.656 135 I HA 0.407 4.786 4.170 0.348 0.000 0.292 135 I C -1.134 175.161 176.117 0.297 0.000 1.144 135 I CA -0.798 60.645 61.300 0.239 0.000 1.038 135 I CB 2.181 40.237 38.000 0.093 0.000 1.244 135 I HN 0.754 nan 8.210 nan 0.000 0.420 136 A N 6.961 129.914 122.820 0.221 0.000 2.337 136 A HA 0.950 5.479 4.320 0.348 0.000 0.331 136 A C -1.204 176.432 177.584 0.087 0.000 1.137 136 A CA -0.485 51.638 52.037 0.144 0.000 0.807 136 A CB 1.195 20.188 19.000 -0.012 0.000 1.250 136 A HN 0.621 nan 8.150 nan 0.000 0.468 137 L N 2.190 123.485 121.223 0.119 0.000 2.427 137 L HA 0.494 5.043 4.340 0.348 0.000 0.264 137 L C -1.087 175.951 176.870 0.279 0.000 0.989 137 L CA 0.023 54.962 54.840 0.166 0.000 0.865 137 L CB 0.962 43.087 42.059 0.110 0.000 1.209 137 L HN 0.524 nan 8.230 nan 0.000 0.430 138 I N 4.280 124.963 120.570 0.188 0.000 2.359 138 I HA 0.429 4.807 4.170 0.348 0.000 0.294 138 I C -2.030 174.018 176.117 -0.115 0.000 0.987 138 I CA -2.003 59.366 61.300 0.116 0.000 1.225 138 I CB 1.631 39.705 38.000 0.123 0.000 1.366 138 I HN 0.327 nan 8.210 nan 0.000 0.466 139 P HA 0.146 nan 4.420 nan 0.000 0.271 139 P C -0.950 176.111 177.300 -0.399 0.000 1.216 139 P CA -0.165 62.432 63.100 -0.838 0.000 0.776 139 P CB 0.803 31.912 31.700 -0.985 0.000 0.881 140 E N 1.202 121.175 120.200 -0.377 0.000 2.191 140 E HA 0.376 4.935 4.350 0.348 0.000 0.263 140 E C -0.836 175.677 176.600 -0.146 0.000 0.881 140 E CA -0.990 55.303 56.400 -0.179 0.000 0.757 140 E CB 2.008 31.628 29.700 -0.134 0.000 1.147 140 E HN 0.169 nan 8.360 nan 0.000 0.414 141 V N 3.911 123.787 119.914 -0.064 0.000 2.472 141 V HA 0.384 4.713 4.120 0.348 0.000 0.290 141 V C -0.125 175.950 176.094 -0.031 0.000 1.037 141 V CA -0.752 61.520 62.300 -0.046 0.000 0.908 141 V CB 1.534 33.362 31.823 0.008 0.000 0.985 141 V HN 0.628 nan 8.190 nan 0.000 0.454 142 N N 2.994 121.665 118.700 -0.048 0.000 2.260 142 N HA 0.591 5.540 4.740 0.348 0.000 0.293 142 N C -1.294 174.177 175.510 -0.064 0.000 1.058 142 N CA -0.663 52.348 53.050 -0.064 0.000 0.824 142 N CB 2.862 41.280 38.487 -0.114 0.000 1.551 142 N HN 0.670 nan 8.380 nan 0.000 0.475 143 E N 0.987 121.170 120.200 -0.028 0.000 2.234 143 E HA 0.519 5.077 4.350 0.348 0.000 0.266 143 E C -0.803 175.771 176.600 -0.045 0.000 0.877 143 E CA -0.554 55.852 56.400 0.010 0.000 0.758 143 E CB 2.438 32.269 29.700 0.218 0.000 1.170 143 E HN 0.238 nan 8.360 nan 0.000 0.415 144 K N 0.831 121.180 120.400 -0.085 0.000 2.444 144 K HA 0.732 5.261 4.320 0.348 0.000 0.252 144 K C -1.163 175.430 176.600 -0.013 0.000 0.993 144 K CA -1.130 55.137 56.287 -0.034 0.000 0.847 144 K CB 2.395 34.890 32.500 -0.009 0.000 1.340 144 K HN 0.222 nan 8.250 nan 0.000 0.446 145 V N 3.092 122.975 119.914 -0.051 0.000 2.487 145 V HA 0.494 4.822 4.120 0.348 0.000 0.298 145 V C -0.560 175.485 176.094 -0.082 0.000 1.028 145 V CA -0.841 61.399 62.300 -0.100 0.000 0.860 145 V CB 1.270 32.953 31.823 -0.233 0.000 0.991 145 V HN 0.545 nan 8.190 nan 0.000 0.427 146 L N 3.060 124.276 121.223 -0.011 0.000 2.279 146 L HA 0.697 5.245 4.340 0.348 0.000 0.262 146 L C -0.350 176.606 176.870 0.144 0.000 1.019 146 L CA -0.937 53.924 54.840 0.035 0.000 0.823 146 L CB 2.162 44.247 42.059 0.043 0.000 1.358 146 L HN 0.440 nan 8.230 nan 0.000 0.432 147 K N 0.919 121.424 120.400 0.174 0.000 2.339 147 K HA 0.370 4.899 4.320 0.348 0.000 0.264 147 K C -0.212 176.471 176.600 0.137 0.000 0.986 147 K CA -0.320 56.122 56.287 0.260 0.000 0.866 147 K CB 1.645 34.310 32.500 0.276 0.000 1.103 147 K HN 0.777 nan 8.250 nan 0.000 0.441 148 S N 1.734 117.502 115.700 0.114 0.000 2.606 148 S HA -0.005 4.674 4.470 0.348 0.000 0.257 148 S C 1.219 175.756 174.600 -0.105 0.000 1.327 148 S CA -0.222 57.992 58.200 0.023 0.000 0.984 148 S CB 1.151 64.336 63.200 -0.025 0.000 0.941 148 S HN 0.796 nan 8.310 nan 0.000 0.576 149 E N 0.550 120.640 120.200 -0.183 0.000 2.051 149 E HA -0.196 4.363 4.350 0.348 0.000 0.192 149 E C 1.385 177.838 176.600 -0.246 0.000 0.991 149 E CA 1.611 57.898 56.400 -0.189 0.000 0.799 149 E CB -0.257 29.320 29.700 -0.207 0.000 0.748 149 E HN 0.820 nan 8.360 nan 0.000 0.449 150 E N -0.988 118.968 120.200 -0.407 0.000 2.516 150 E HA 0.044 4.603 4.350 0.348 0.000 0.199 150 E C 1.051 177.340 176.600 -0.518 0.000 1.069 150 E CA 0.683 56.772 56.400 -0.519 0.000 0.876 150 E CB 0.059 29.259 29.700 -0.832 0.000 0.843 150 E HN 0.474 nan 8.360 nan 0.000 0.530 151 G N -0.296 108.279 108.800 -0.374 0.000 2.176 151 G HA2 -0.333 3.836 3.960 0.348 0.000 0.253 151 G HA3 -0.333 3.836 3.960 0.348 0.000 0.253 151 G C -0.052 174.744 174.900 -0.174 0.000 0.979 151 G CA 0.022 44.983 45.100 -0.232 0.000 0.641 151 G HN 0.421 nan 8.290 nan 0.000 0.530 152 Y N -0.036 120.223 120.300 -0.069 0.000 2.497 152 Y HA 0.503 5.262 4.550 0.348 0.000 0.334 152 Y C 1.244 177.175 175.900 0.052 0.000 1.199 152 Y CA -1.074 56.992 58.100 -0.057 0.000 1.425 152 Y CB 0.426 38.899 38.460 0.022 0.000 1.291 152 Y HN 0.090 nan 8.280 nan 0.000 0.562 153 F N 2.659 122.748 119.950 0.232 0.000 2.418 153 F HA 0.355 5.090 4.527 0.348 0.000 0.341 153 F C -0.051 175.840 175.800 0.152 0.000 1.120 153 F CA -0.682 57.412 58.000 0.156 0.000 1.232 153 F CB 0.644 39.735 39.000 0.152 0.000 1.175 153 F HN 0.212 nan 8.300 nan 0.000 0.569 154 L N 4.336 125.742 121.223 0.303 0.000 2.404 154 L HA 0.311 4.860 4.340 0.348 0.000 0.272 154 L C -0.920 176.002 176.870 0.086 0.000 0.980 154 L CA -0.994 53.950 54.840 0.174 0.000 0.836 154 L CB 1.893 44.028 42.059 0.126 0.000 1.238 154 L HN 0.431 nan 8.230 nan 0.000 0.408 155 L N 3.907 125.171 121.223 0.069 0.000 2.418 155 L HA 0.238 4.787 4.340 0.348 0.000 0.274 155 L C -0.144 176.800 176.870 0.123 0.000 1.135 155 L CA 0.319 55.161 54.840 0.004 0.000 0.870 155 L CB 0.137 42.149 42.059 -0.079 0.000 1.154 155 L HN 0.459 nan 8.230 nan 0.000 0.462 156 H N 5.823 124.882 119.070 -0.019 0.000 2.640 156 H HA 0.491 5.256 4.556 0.347 0.000 0.297 156 H C -1.530 173.819 175.328 0.035 0.000 1.073 156 H CA -0.824 55.215 56.048 -0.015 0.000 1.305 156 H CB 0.932 30.668 29.762 -0.042 0.000 1.404 156 H HN 0.661 nan 8.280 nan 0.000 0.459 157 L N 5.844 127.207 121.223 0.234 0.000 2.343 157 L HA 0.445 4.993 4.340 0.348 0.000 0.278 157 L C -1.194 175.722 176.870 0.077 0.000 0.996 157 L CA -0.280 54.618 54.840 0.096 0.000 0.831 157 L CB 1.353 43.486 42.059 0.124 0.000 1.232 157 L HN 0.685 nan 8.230 nan 0.000 0.413 158 D N 3.448 123.831 120.400 -0.028 0.000 2.477 158 D HA 0.535 5.384 4.640 0.348 0.000 0.234 158 D C -1.833 174.446 176.300 -0.034 0.000 1.048 158 D CA -0.359 53.651 54.000 0.016 0.000 0.959 158 D CB 2.454 43.264 40.800 0.018 0.000 1.408 158 D HN 0.484 nan 8.370 nan 0.000 0.496 159 L N 1.505 122.724 121.223 -0.007 0.000 2.409 159 L HA 0.530 5.079 4.340 0.348 0.000 0.272 159 L C -0.943 175.901 176.870 -0.044 0.000 0.980 159 L CA -0.287 54.511 54.840 -0.071 0.000 0.826 159 L CB 1.330 43.350 42.059 -0.063 0.000 1.268 159 L HN 0.293 nan 8.230 nan 0.000 0.407 160 K N 3.182 123.505 120.400 -0.129 0.000 2.261 160 K HA 0.624 5.153 4.320 0.348 0.000 0.242 160 K C -1.727 174.735 176.600 -0.230 0.000 1.083 160 K CA -0.752 55.513 56.287 -0.036 0.000 0.880 160 K CB 2.000 34.502 32.500 0.004 0.000 1.353 160 K HN 0.480 nan 8.250 nan 0.000 0.486 161 F N 1.285 121.217 119.950 -0.030 0.000 2.539 161 F HA 0.377 5.112 4.527 0.347 0.000 0.318 161 F C 0.026 175.810 175.800 -0.027 0.000 1.135 161 F CA -0.823 57.153 58.000 -0.041 0.000 0.915 161 F CB 1.593 40.565 39.000 -0.047 0.000 1.176 161 F HN 0.334 nan 8.300 nan 0.000 0.440 162 R N 3.961 124.519 120.500 0.096 0.000 2.407 162 R HA 0.770 5.318 4.340 0.348 0.000 0.303 162 R C -1.357 174.981 176.300 0.063 0.000 0.981 162 R CA -0.512 55.622 56.100 0.057 0.000 0.905 162 R CB 1.276 31.578 30.300 0.004 0.000 1.099 162 R HN 0.694 nan 8.270 nan 0.000 0.459 163 I N 3.336 123.930 120.570 0.040 0.000 2.342 163 I HA 0.232 4.611 4.170 0.348 0.000 0.291 163 I C 0.011 176.132 176.117 0.007 0.000 1.010 163 I CA -0.335 60.977 61.300 0.020 0.000 1.308 163 I CB 1.373 39.368 38.000 -0.009 0.000 1.400 163 I HN 0.571 nan 8.210 nan 0.000 0.488 164 Q N 7.243 127.043 119.800 0.000 0.000 2.391 164 Q HA 0.444 4.993 4.340 0.348 0.000 0.279 164 Q C -2.641 173.347 176.000 -0.019 0.000 1.028 164 Q CA -1.616 54.172 55.803 -0.024 0.000 0.836 164 Q CB 3.384 32.082 28.738 -0.066 0.000 1.414 164 Q HN 0.292 nan 8.270 nan 0.000 0.397 165 P HA 0.362 nan 4.420 nan 0.000 0.306 165 P C -0.585 176.736 177.300 0.036 0.000 1.309 165 P CA -0.449 62.713 63.100 0.103 0.000 0.759 165 P CB 0.633 32.399 31.700 0.111 0.000 1.314 166 F N -0.837 119.121 119.950 0.014 0.000 2.983 166 F HA 0.317 5.053 4.527 0.348 0.000 0.307 166 F C 0.608 176.410 175.800 0.003 0.000 1.218 166 F CA 0.260 58.264 58.000 0.008 0.000 1.323 166 F CB -0.202 38.802 39.000 0.008 0.000 0.989 166 F HN 0.098 nan 8.300 nan 0.000 0.509 167 E N 0.101 120.372 120.200 0.118 0.000 3.108 167 E HA 0.124 4.683 4.350 0.348 0.000 0.228 167 E C -0.089 176.530 176.600 0.031 0.000 1.176 167 E CA -0.284 56.166 56.400 0.083 0.000 0.881 167 E CB 0.820 30.583 29.700 0.106 0.000 1.354 167 E HN -0.031 nan 8.360 nan 0.000 0.400 168 T N 1.751 116.307 114.554 0.004 0.000 2.830 168 T HA -0.117 4.441 4.350 0.348 0.000 0.282 168 T C 1.565 176.244 174.700 -0.034 0.000 1.024 168 T CA 0.529 62.614 62.100 -0.026 0.000 1.144 168 T CB 0.259 69.103 68.868 -0.039 0.000 1.035 168 T HN 0.464 nan 8.240 nan 0.000 0.507 169 L N 3.285 124.486 121.223 -0.038 0.000 2.051 169 L HA -0.241 4.308 4.340 0.348 0.000 0.214 169 L C 2.795 179.609 176.870 -0.094 0.000 1.076 169 L CA 1.695 56.507 54.840 -0.046 0.000 0.758 169 L CB -0.331 41.714 42.059 -0.023 0.000 0.890 169 L HN 0.685 nan 8.230 nan 0.000 0.433 170 Q N -0.518 119.216 119.800 -0.110 0.000 2.029 170 Q HA -0.240 4.309 4.340 0.348 0.000 0.209 170 Q C 2.056 177.923 176.000 -0.222 0.000 0.999 170 Q CA 2.906 58.594 55.803 -0.192 0.000 0.857 170 Q CB -0.555 28.089 28.738 -0.156 0.000 0.926 170 Q HN 0.433 nan 8.270 nan 0.000 0.415 171 T N 0.901 115.372 114.554 -0.139 0.000 2.720 171 T HA -0.143 4.416 4.350 0.348 0.000 0.268 171 T C 1.715 176.342 174.700 -0.120 0.000 1.037 171 T CA 1.485 63.516 62.100 -0.115 0.000 1.144 171 T CB -0.290 68.544 68.868 -0.056 0.000 0.864 171 T HN 0.227 nan 8.240 nan 0.000 0.444 172 L N 0.269 121.430 121.223 -0.103 0.000 2.056 172 L HA -0.012 4.537 4.340 0.348 0.000 0.207 172 L C 2.482 179.242 176.870 -0.184 0.000 1.078 172 L CA 1.183 55.954 54.840 -0.116 0.000 0.749 172 L CB -0.584 41.423 42.059 -0.087 0.000 0.901 172 L HN 0.279 nan 8.230 nan 0.000 0.433 173 L N -1.005 120.097 121.223 -0.202 0.000 2.131 173 L HA -0.093 4.455 4.340 0.348 0.000 0.206 173 L C 2.369 179.066 176.870 -0.290 0.000 1.087 173 L CA 0.852 55.572 54.840 -0.200 0.000 0.767 173 L CB -0.465 41.526 42.059 -0.114 0.000 0.917 173 L HN 0.282 nan 8.230 nan 0.000 0.441 174 E N 0.682 120.619 120.200 -0.438 0.000 1.996 174 E HA -0.178 4.381 4.350 0.348 0.000 0.197 174 E C 2.280 178.748 176.600 -0.219 0.000 1.002 174 E CA 1.231 57.388 56.400 -0.406 0.000 0.840 174 E CB 0.017 29.491 29.700 -0.377 0.000 0.786 174 E HN 0.338 nan 8.360 nan 0.000 0.469 175 R N 0.217 120.611 120.500 -0.176 0.000 2.193 175 R HA -0.016 4.533 4.340 0.348 0.000 0.213 175 R C 1.467 177.702 176.300 -0.108 0.000 1.055 175 R CA 0.886 56.916 56.100 -0.117 0.000 0.995 175 R CB 0.013 30.262 30.300 -0.085 0.000 0.893 175 R HN 0.143 nan 8.270 nan 0.000 0.459 176 N N -0.429 118.193 118.700 -0.130 0.000 2.724 176 N HA 0.013 4.962 4.740 0.348 0.000 0.226 176 N C 0.315 175.698 175.510 -0.212 0.000 1.030 176 N CA 0.540 53.522 53.050 -0.114 0.000 1.038 176 N CB 0.006 38.455 38.487 -0.062 0.000 1.475 176 N HN -0.074 nan 8.380 nan 0.000 0.472 177 D N -1.297 118.949 120.400 -0.256 0.000 2.475 177 D HA 0.408 5.257 4.640 0.348 0.000 0.286 177 D C 0.302 176.326 176.300 -0.459 0.000 1.205 177 D CA -0.156 53.681 54.000 -0.270 0.000 1.092 177 D CB 0.660 41.312 40.800 -0.248 0.000 1.147 177 D HN -0.065 nan 8.370 nan 0.000 0.575 178 F N -1.143 118.760 119.950 -0.079 0.000 1.921 178 F HA 0.270 5.006 4.527 0.348 0.000 0.221 178 F C 0.258 176.040 175.800 -0.030 0.000 1.250 178 F CA -0.478 57.503 58.000 -0.032 0.000 1.296 178 F CB 0.117 39.104 39.000 -0.022 0.000 1.897 178 F HN -0.028 nan 8.300 nan 0.000 0.209 179 N N 1.519 120.346 118.700 0.212 0.000 2.904 179 N HA 0.306 5.255 4.740 0.348 0.000 0.257 179 N C -2.249 173.279 175.510 0.030 0.000 1.363 179 N CA -1.178 51.927 53.050 0.091 0.000 0.856 179 N CB 0.562 39.095 38.487 0.076 0.000 1.166 179 N HN 0.129 nan 8.380 nan 0.000 0.499 180 P HA 0.169 nan 4.420 nan 0.000 0.262 180 P C -0.447 176.845 177.300 -0.013 0.000 1.339 180 P CA 0.060 63.139 63.100 -0.034 0.000 0.706 180 P CB 0.514 32.185 31.700 -0.048 0.000 1.424 181 K N -2.869 117.526 120.400 -0.008 0.000 2.415 181 K HA -0.195 4.333 4.320 0.348 0.000 0.845 181 K C 0.744 177.346 176.600 0.003 0.000 2.280 181 K CA 0.474 56.761 56.287 -0.000 0.000 1.466 181 K CB -1.209 31.291 32.500 -0.001 0.000 2.745 181 K HN 0.453 nan 8.250 nan 0.000 0.172 182 R N -1.733 118.774 120.500 0.011 0.000 3.075 182 R HA -0.260 4.289 4.340 0.348 0.000 0.235 182 R C 0.351 176.661 176.300 0.016 0.000 0.799 182 R CA 2.102 58.210 56.100 0.013 0.000 1.783 182 R CB -1.610 28.690 30.300 0.001 0.000 1.344 182 R HN 0.568 nan 8.270 nan 0.000 0.587 183 I N 4.215 124.793 120.570 0.014 0.000 2.668 183 I HA -0.036 4.343 4.170 0.348 0.000 0.285 183 I C 1.260 177.394 176.117 0.029 0.000 1.168 183 I CA 0.323 61.636 61.300 0.021 0.000 1.424 183 I CB 0.229 38.247 38.000 0.030 0.000 1.377 183 I HN 0.224 nan 8.210 nan 0.000 0.560 184 R N 5.763 126.277 120.500 0.024 0.000 2.615 184 R HA 0.703 5.251 4.340 0.348 0.000 0.270 184 R C -1.071 175.239 176.300 0.017 0.000 1.081 184 R CA -0.617 55.496 56.100 0.022 0.000 1.154 184 R CB 0.896 31.195 30.300 -0.001 0.000 1.063 184 R HN 0.371 nan 8.270 nan 0.000 0.519 185 V N 0.175 120.102 119.914 0.022 0.000 3.181 185 V HA 0.541 4.870 4.120 0.348 0.000 0.308 185 V C -0.830 175.266 176.094 0.003 0.000 1.214 185 V CA -1.085 61.228 62.300 0.022 0.000 1.053 185 V CB 2.343 34.199 31.823 0.055 0.000 1.069 185 V HN 0.761 nan 8.190 nan 0.000 0.441 186 K N 2.192 122.577 120.400 -0.025 0.000 2.588 186 K HA 0.480 5.009 4.320 0.348 0.000 0.250 186 K C -3.172 173.359 176.600 -0.115 0.000 0.972 186 K CA -1.747 54.505 56.287 -0.059 0.000 0.821 186 K CB 2.840 35.295 32.500 -0.075 0.000 1.249 186 K HN 0.370 nan 8.250 nan 0.000 0.442 187 P HA 0.267 nan 4.420 nan 0.000 0.280 187 P C 0.005 177.169 177.300 -0.228 0.000 1.244 187 P CA -0.359 62.562 63.100 -0.298 0.000 0.784 187 P CB 0.428 31.766 31.700 -0.604 0.000 0.913 188 I N 2.104 122.564 120.570 -0.182 0.000 2.826 188 I HA 0.018 4.397 4.170 0.348 0.000 0.295 188 I C 1.640 177.671 176.117 -0.144 0.000 1.213 188 I CA 1.061 62.276 61.300 -0.142 0.000 1.436 188 I CB -0.794 37.136 38.000 -0.117 0.000 1.348 188 I HN 0.734 nan 8.210 nan 0.000 0.570 189 G N 5.851 114.583 108.800 -0.113 0.000 2.153 189 G HA2 -0.265 3.904 3.960 0.348 0.000 0.252 189 G HA3 -0.265 3.904 3.960 0.348 0.000 0.252 189 G C -0.131 174.692 174.900 -0.127 0.000 0.994 189 G CA -0.047 45.007 45.100 -0.077 0.000 0.698 189 G HN 0.558 nan 8.290 nan 0.000 0.521 190 I N -0.771 119.656 120.570 -0.238 0.000 2.722 190 I HA 0.313 4.691 4.170 0.348 0.000 0.295 190 I C 0.781 176.739 176.117 -0.264 0.000 1.161 190 I CA -1.007 60.037 61.300 -0.428 0.000 1.032 190 I CB 1.789 39.407 38.000 -0.638 0.000 1.244 190 I HN -0.043 nan 8.210 nan 0.000 0.421 191 D N 3.918 124.180 120.400 -0.230 0.000 2.092 191 D HA -0.087 4.762 4.640 0.348 0.000 0.203 191 D C 0.670 176.938 176.300 -0.053 0.000 0.978 191 D CA 1.009 54.940 54.000 -0.116 0.000 0.861 191 D CB 0.015 40.756 40.800 -0.097 0.000 1.005 191 D HN 0.325 nan 8.370 nan 0.000 0.450 192 F N 0.773 120.608 119.950 -0.190 0.000 2.317 192 F HA -0.153 4.582 4.527 0.347 0.000 0.385 192 F C -0.639 175.104 175.800 -0.095 0.000 0.895 192 F CA 0.263 58.194 58.000 -0.116 0.000 1.133 192 F CB 0.453 39.383 39.000 -0.116 0.000 0.865 192 F HN -0.204 nan 8.300 nan 0.000 0.569 193 V N 5.506 124.985 119.914 -0.724 0.000 2.623 193 V HA 0.855 5.184 4.120 0.348 0.000 0.304 193 V C 0.149 175.801 176.094 -0.736 0.000 1.054 193 V CA -0.004 61.998 62.300 -0.496 0.000 0.882 193 V CB 1.252 32.915 31.823 -0.267 0.000 1.002 193 V HN 1.193 nan 8.190 nan 0.000 0.424 194 G N 3.381 111.985 108.800 -0.327 0.000 2.601 194 G HA2 0.470 4.639 3.960 0.348 0.000 0.291 194 G HA3 0.470 4.639 3.960 0.348 0.000 0.291 194 G C -1.318 173.618 174.900 0.059 0.000 1.456 194 G CA -1.143 43.863 45.100 -0.156 0.000 0.804 194 G HN 0.538 nan 8.290 nan 0.000 0.499 195 R N -0.050 120.486 120.500 0.059 0.000 2.623 195 R HA 0.255 4.804 4.340 0.348 0.000 0.271 195 R C 0.097 176.463 176.300 0.111 0.000 1.043 195 R CA -0.325 55.819 56.100 0.072 0.000 1.083 195 R CB 0.867 31.201 30.300 0.056 0.000 0.974 195 R HN 0.224 nan 8.270 nan 0.000 0.436 196 V N 2.681 122.644 119.914 0.082 0.000 2.686 196 V HA 0.005 4.334 4.120 0.348 0.000 0.295 196 V C 0.890 177.015 176.094 0.051 0.000 1.055 196 V CA 0.307 62.651 62.300 0.073 0.000 1.050 196 V CB 1.168 33.018 31.823 0.045 0.000 0.984 196 V HN 0.794 nan 8.190 nan 0.000 0.482 197 Q N 1.631 121.455 119.800 0.039 0.000 2.023 197 Q HA 0.331 4.880 4.340 0.348 0.000 0.211 197 Q C -1.056 174.933 176.000 -0.018 0.000 0.787 197 Q CA -0.085 55.732 55.803 0.023 0.000 1.035 197 Q CB 0.975 29.741 28.738 0.047 0.000 1.221 197 Q HN 0.789 nan 8.270 nan 0.000 0.443 198 D N -0.259 120.094 120.400 -0.080 0.000 2.419 198 D HA 0.137 4.985 4.640 0.348 0.000 0.194 198 D C -1.624 174.428 176.300 -0.412 0.000 1.096 198 D CA -0.026 53.842 54.000 -0.220 0.000 0.821 198 D CB 1.974 42.639 40.800 -0.225 0.000 3.027 198 D HN -0.125 nan 8.370 nan 0.000 0.479 199 V N 3.055 122.696 119.914 -0.456 0.000 2.588 199 V HA 0.760 5.089 4.120 0.348 0.000 0.304 199 V C -0.654 175.120 176.094 -0.533 0.000 1.042 199 V CA -0.709 61.307 62.300 -0.473 0.000 0.877 199 V CB 1.565 33.300 31.823 -0.146 0.000 0.996 199 V HN 0.395 nan 8.190 nan 0.000 0.425 200 F N 0.653 120.593 119.950 -0.016 0.000 2.601 200 F HA 0.636 5.371 4.527 0.348 0.000 0.309 200 F C -0.107 175.604 175.800 -0.149 0.000 1.089 200 F CA -1.521 56.421 58.000 -0.096 0.000 0.940 200 F CB 1.180 40.131 39.000 -0.081 0.000 1.273 200 F HN 0.208 nan 8.300 nan 0.000 0.450 201 K N 0.632 120.964 120.400 -0.115 0.000 2.494 201 K HA 0.279 4.807 4.320 0.348 0.000 0.273 201 K C 0.936 177.566 176.600 0.051 0.000 0.970 201 K CA 0.537 56.685 56.287 -0.231 0.000 0.963 201 K CB 0.909 33.197 32.500 -0.354 0.000 0.913 201 K HN 0.931 nan 8.250 nan 0.000 0.502 202 A N 3.082 125.985 122.820 0.137 0.000 2.067 202 A HA -0.089 4.439 4.320 0.348 0.000 0.217 202 A C 1.894 179.615 177.584 0.227 0.000 1.156 202 A CA 1.031 53.222 52.037 0.256 0.000 0.683 202 A CB -0.126 19.052 19.000 0.297 0.000 0.808 202 A HN 0.798 nan 8.150 nan 0.000 0.455 203 K N 0.159 120.630 120.400 0.117 0.000 2.360 203 K HA -0.164 4.364 4.320 0.348 0.000 0.201 203 K C 1.577 178.208 176.600 0.051 0.000 1.046 203 K CA 1.246 57.589 56.287 0.093 0.000 0.945 203 K CB -0.117 32.411 32.500 0.047 0.000 0.750 203 K HN 0.656 nan 8.250 nan 0.000 0.464 204 E N 0.447 120.642 120.200 -0.008 0.000 2.058 204 E HA -0.140 4.418 4.350 0.348 0.000 0.194 204 E C 0.040 176.571 176.600 -0.116 0.000 0.997 204 E CA 1.138 57.484 56.400 -0.090 0.000 0.801 204 E CB 0.158 29.746 29.700 -0.187 0.000 0.746 204 E HN 0.093 nan 8.360 nan 0.000 0.450 205 K N 0.944 121.267 120.400 -0.130 0.000 2.218 205 K HA 0.220 4.749 4.320 0.348 0.000 0.276 205 K C 0.359 176.896 176.600 -0.104 0.000 1.022 205 K CA -0.119 55.990 56.287 -0.296 0.000 0.946 205 K CB 1.342 33.379 32.500 -0.771 0.000 1.000 205 K HN 0.047 nan 8.250 nan 0.000 0.468 206 G N 1.229 109.954 108.800 -0.125 0.000 2.485 206 G HA2 -0.031 4.137 3.960 0.348 0.000 0.260 206 G HA3 -0.031 4.137 3.960 0.348 0.000 0.260 206 G C 0.754 175.686 174.900 0.053 0.000 1.459 206 G CA -0.104 44.994 45.100 -0.004 0.000 1.060 206 G HN 0.527 nan 8.290 nan 0.000 0.546 207 E N -0.342 119.907 120.200 0.082 0.000 2.028 207 E HA -0.081 4.477 4.350 0.348 0.000 0.190 207 E C 2.379 179.021 176.600 0.070 0.000 0.984 207 E CA 0.907 57.388 56.400 0.135 0.000 0.800 207 E CB -0.373 29.384 29.700 0.096 0.000 0.758 207 E HN 0.625 nan 8.360 nan 0.000 0.448 208 E N 0.010 120.210 120.200 0.000 0.000 2.086 208 E HA -0.237 4.322 4.350 0.348 0.000 0.205 208 E C 1.921 178.449 176.600 -0.119 0.000 1.027 208 E CA 1.551 57.923 56.400 -0.046 0.000 0.830 208 E CB -0.342 29.328 29.700 -0.049 0.000 0.751 208 E HN 0.154 nan 8.360 nan 0.000 0.456 209 F N -0.165 119.561 119.950 -0.372 0.000 2.154 209 F HA -0.239 4.497 4.527 0.347 0.000 0.301 209 F C 1.575 177.029 175.800 -0.576 0.000 1.087 209 F CA 1.617 59.288 58.000 -0.548 0.000 1.274 209 F CB -0.111 38.447 39.000 -0.737 0.000 1.009 209 F HN 0.007 nan 8.300 nan 0.000 0.485 210 F N -0.776 119.202 119.950 0.046 0.000 2.473 210 F HA 0.127 4.862 4.527 0.348 0.000 0.294 210 F C 2.284 178.034 175.800 -0.082 0.000 1.103 210 F CA 0.127 58.125 58.000 -0.004 0.000 1.442 210 F CB -0.698 38.467 39.000 0.275 0.000 1.097 210 F HN -0.306 nan 8.300 nan 0.000 0.547 211 R N 1.089 121.629 120.500 0.067 0.000 2.097 211 R HA -0.186 4.362 4.340 0.348 0.000 0.236 211 R C 2.149 178.373 176.300 -0.127 0.000 1.135 211 R CA 1.837 57.933 56.100 -0.006 0.000 0.934 211 R CB -1.089 29.201 30.300 -0.017 0.000 0.846 211 R HN 0.347 nan 8.270 nan 0.000 0.431 212 L N -0.047 121.027 121.223 -0.249 0.000 2.046 212 L HA -0.229 4.319 4.340 0.348 0.000 0.208 212 L C 2.762 179.351 176.870 -0.469 0.000 1.077 212 L CA 1.058 55.694 54.840 -0.341 0.000 0.747 212 L CB -0.505 41.318 42.059 -0.393 0.000 0.896 212 L HN 0.345 nan 8.230 nan 0.000 0.432 213 C N -0.899 117.954 119.300 -0.744 0.000 2.435 213 C HA -0.160 4.509 4.460 0.348 0.000 0.279 213 C C 2.858 177.494 174.990 -0.591 0.000 1.321 213 C CA 0.478 58.871 59.018 -1.042 0.000 1.752 213 C CB -0.474 25.865 27.740 -2.336 0.000 1.959 213 C HN 0.506 nan 8.230 nan 0.000 0.500 214 M N 0.883 120.330 119.600 -0.255 0.000 2.077 214 M HA -0.173 4.515 4.480 0.348 0.000 0.261 214 M C 2.178 178.462 176.300 -0.027 0.000 1.070 214 M CA 1.847 57.154 55.300 0.011 0.000 1.125 214 M CB -0.443 32.211 32.600 0.090 0.000 1.339 214 M HN 0.387 nan 8.290 nan 0.000 0.409 215 E N -0.379 119.775 120.200 -0.077 0.000 2.171 215 E HA -0.231 4.327 4.350 0.348 0.000 0.197 215 E C 1.951 178.510 176.600 -0.068 0.000 0.997 215 E CA 1.455 57.815 56.400 -0.067 0.000 0.810 215 E CB 0.048 29.697 29.700 -0.085 0.000 0.738 215 E HN 0.548 nan 8.360 nan 0.000 0.467 216 R N 0.318 120.759 120.500 -0.098 0.000 2.102 216 R HA 0.093 4.642 4.340 0.348 0.000 0.208 216 R C 0.865 177.165 176.300 0.001 0.000 1.131 216 R CA 0.509 56.566 56.100 -0.072 0.000 1.054 216 R CB -0.152 30.073 30.300 -0.125 0.000 0.954 216 R HN 0.015 nan 8.270 nan 0.000 0.465 217 S N 1.679 117.391 115.700 0.019 0.000 3.116 217 S HA -0.112 4.567 4.470 0.348 0.000 0.367 217 S C 0.870 175.584 174.600 0.189 0.000 1.202 217 S CA 0.442 58.743 58.200 0.169 0.000 1.018 217 S CB 0.415 63.807 63.200 0.320 0.000 0.726 217 S HN 0.436 nan 8.310 nan 0.000 0.506 218 T N 0.189 114.894 114.554 0.252 0.000 3.194 218 T HA 0.129 4.688 4.350 0.348 0.000 0.251 218 T C 0.397 175.085 174.700 -0.020 0.000 1.132 218 T CA 0.176 62.383 62.100 0.177 0.000 1.028 218 T CB -0.554 68.561 68.868 0.411 0.000 0.976 218 T HN 0.834 nan 8.240 nan 0.000 0.535 219 H N 0.247 119.442 119.070 0.208 0.000 2.821 219 H HA 0.380 5.145 4.556 0.348 0.000 0.373 219 H C 0.437 175.837 175.328 0.121 0.000 1.165 219 H CA -0.946 55.201 56.048 0.166 0.000 1.154 219 H CB 2.221 32.055 29.762 0.119 0.000 1.765 219 H HN -0.023 nan 8.280 nan 0.000 0.549 220 K N 0.657 121.172 120.400 0.192 0.000 2.026 220 K HA -0.125 4.404 4.320 0.348 0.000 0.208 220 K C 1.997 178.663 176.600 0.110 0.000 1.048 220 K CA 1.740 58.097 56.287 0.117 0.000 0.929 220 K CB -0.054 32.491 32.500 0.074 0.000 0.713 220 K HN 0.500 nan 8.250 nan 0.000 0.439 221 S N 1.742 117.501 115.700 0.097 0.000 2.359 221 S HA -0.188 4.491 4.470 0.348 0.000 0.224 221 S C 2.371 177.003 174.600 0.054 0.000 1.035 221 S CA 1.804 60.028 58.200 0.040 0.000 1.018 221 S CB -0.702 62.488 63.200 -0.017 0.000 0.876 221 S HN 0.380 nan 8.310 nan 0.000 0.448 222 S N 2.243 118.021 115.700 0.131 0.000 2.368 222 S HA -0.100 4.579 4.470 0.348 0.000 0.225 222 S C 1.915 176.709 174.600 0.323 0.000 1.030 222 S CA 1.246 59.590 58.200 0.240 0.000 0.999 222 S CB -0.582 62.899 63.200 0.469 0.000 0.844 222 S HN 0.594 nan 8.310 nan 0.000 0.459 223 K N 1.194 121.769 120.400 0.290 0.000 2.025 223 K HA -0.000 4.529 4.320 0.348 0.000 0.207 223 K C 2.371 179.091 176.600 0.200 0.000 1.049 223 K CA 1.218 57.667 56.287 0.270 0.000 0.933 223 K CB -0.131 32.473 32.500 0.172 0.000 0.714 223 K HN 0.323 nan 8.250 nan 0.000 0.438 224 K N -0.093 120.379 120.400 0.120 0.000 2.063 224 K HA -0.150 4.379 4.320 0.348 0.000 0.208 224 K C 2.057 178.689 176.600 0.054 0.000 1.048 224 K CA 1.407 57.736 56.287 0.071 0.000 0.928 224 K CB -0.135 32.387 32.500 0.036 0.000 0.713 224 K HN 0.186 nan 8.250 nan 0.000 0.442 225 A N 0.320 123.148 122.820 0.014 0.000 1.877 225 A HA -0.167 4.362 4.320 0.348 0.000 0.216 225 A C 1.843 179.376 177.584 -0.085 0.000 1.186 225 A CA 1.299 53.281 52.037 -0.093 0.000 0.620 225 A CB -0.971 17.905 19.000 -0.206 0.000 0.822 225 A HN 0.467 nan 8.150 nan 0.000 0.443 226 W N -0.179 121.170 121.300 0.081 0.000 2.374 226 W HA -0.053 4.815 4.660 0.347 0.000 0.288 226 W C 2.252 178.806 176.519 0.058 0.000 1.218 226 W CA 1.116 58.519 57.345 0.097 0.000 1.245 226 W CB -0.067 29.470 29.460 0.129 0.000 1.126 226 W HN 0.560 nan 8.180 nan 0.000 0.545 227 E N 1.001 121.355 120.200 0.257 0.000 2.038 227 E HA -0.264 4.295 4.350 0.348 0.000 0.195 227 E C 1.817 178.465 176.600 0.079 0.000 1.000 227 E CA 1.913 58.401 56.400 0.148 0.000 0.803 227 E CB -0.186 29.576 29.700 0.104 0.000 0.750 227 E HN 0.259 nan 8.360 nan 0.000 0.448 228 E N 0.131 120.353 120.200 0.038 0.000 2.035 228 E HA -0.239 4.320 4.350 0.348 0.000 0.204 228 E C 2.141 178.717 176.600 -0.040 0.000 1.025 228 E CA 1.902 58.297 56.400 -0.009 0.000 0.835 228 E CB -0.222 29.456 29.700 -0.037 0.000 0.764 228 E HN 0.325 nan 8.360 nan 0.000 0.457 229 L N 0.575 121.749 121.223 -0.081 0.000 2.265 229 L HA -0.161 4.388 4.340 0.348 0.000 0.215 229 L C 2.437 179.135 176.870 -0.286 0.000 1.117 229 L CA 0.077 54.777 54.840 -0.234 0.000 0.782 229 L CB -0.307 41.539 42.059 -0.354 0.000 0.914 229 L HN 0.250 nan 8.230 nan 0.000 0.441 230 L N 0.086 121.290 121.223 -0.032 0.000 1.948 230 L HA -0.214 4.334 4.340 0.348 0.000 0.212 230 L C 2.578 179.470 176.870 0.038 0.000 1.074 230 L CA 1.894 56.787 54.840 0.088 0.000 0.753 230 L CB -0.313 41.847 42.059 0.169 0.000 0.888 230 L HN 0.046 nan 8.230 nan 0.000 0.432 231 K N -0.266 120.152 120.400 0.029 0.000 1.984 231 K HA -0.045 4.483 4.320 0.348 0.000 0.209 231 K C 0.411 177.014 176.600 0.005 0.000 1.046 231 K CA 0.770 57.072 56.287 0.023 0.000 0.934 231 K CB -0.405 32.109 32.500 0.023 0.000 0.717 231 K HN 0.320 nan 8.250 nan 0.000 0.438 232 N N 2.462 121.153 118.700 -0.015 0.000 2.406 232 N HA -0.005 4.944 4.740 0.348 0.000 0.265 232 N C 0.765 176.261 175.510 -0.024 0.000 1.203 232 N CA 0.249 53.288 53.050 -0.019 0.000 0.945 232 N CB 0.878 39.350 38.487 -0.025 0.000 1.165 232 N HN 0.116 nan 8.380 nan 0.000 0.485 233 R N 2.290 122.787 120.500 -0.005 0.000 2.091 233 R HA -0.135 4.414 4.340 0.348 0.000 0.238 233 R C 0.822 177.126 176.300 0.006 0.000 1.136 233 R CA 1.457 57.561 56.100 0.007 0.000 0.959 233 R CB 0.133 30.442 30.300 0.015 0.000 0.856 233 R HN 0.633 nan 8.270 nan 0.000 0.437 234 E N 0.056 120.257 120.200 0.002 0.000 2.476 234 E HA 0.118 4.677 4.350 0.348 0.000 0.199 234 E C 1.708 178.311 176.600 0.005 0.000 1.021 234 E CA -0.230 56.176 56.400 0.010 0.000 0.907 234 E CB 0.294 30.001 29.700 0.012 0.000 0.974 234 E HN 0.172 nan 8.360 nan 0.000 0.489 235 L N 0.540 121.753 121.223 -0.017 0.000 2.265 235 L HA -0.139 4.410 4.340 0.348 0.000 0.215 235 L C 1.943 178.800 176.870 -0.021 0.000 1.117 235 L CA 1.180 56.004 54.840 -0.026 0.000 0.782 235 L CB -0.489 41.539 42.059 -0.051 0.000 0.914 235 L HN 0.146 nan 8.230 nan 0.000 0.441 236 R N 0.218 120.698 120.500 -0.033 0.000 2.115 236 R HA -0.096 4.453 4.340 0.348 0.000 0.226 236 R C 2.090 178.439 176.300 0.083 0.000 1.100 236 R CA 0.818 56.912 56.100 -0.009 0.000 0.980 236 R CB -0.182 30.105 30.300 -0.020 0.000 0.875 236 R HN 0.467 nan 8.270 nan 0.000 0.445 237 E N 0.908 121.153 120.200 0.076 0.000 2.047 237 E HA -0.138 4.421 4.350 0.348 0.000 0.191 237 E C 1.749 178.457 176.600 0.180 0.000 0.987 237 E CA 0.786 57.246 56.400 0.099 0.000 0.799 237 E CB 0.006 29.748 29.700 0.071 0.000 0.752 237 E HN 0.123 nan 8.360 nan 0.000 0.449 238 K N 0.778 121.262 120.400 0.140 0.000 2.097 238 K HA 0.039 4.568 4.320 0.348 0.000 0.205 238 K C 0.938 177.645 176.600 0.179 0.000 1.050 238 K CA 0.405 56.774 56.287 0.138 0.000 0.938 238 K CB -0.226 32.290 32.500 0.028 0.000 0.718 238 K HN 0.029 nan 8.250 nan 0.000 0.442 239 A N 1.625 124.551 122.820 0.176 0.000 2.440 239 A HA 0.375 4.904 4.320 0.348 0.000 0.251 239 A C -0.487 177.417 177.584 0.533 0.000 1.089 239 A CA -0.038 52.117 52.037 0.197 0.000 0.779 239 A CB -0.042 18.999 19.000 0.069 0.000 1.022 239 A HN 0.012 nan 8.150 nan 0.000 0.492 240 F N 0.748 120.707 119.950 0.016 0.000 2.522 240 F HA 0.612 5.348 4.527 0.347 0.000 0.324 240 F C 0.025 175.861 175.800 0.060 0.000 1.077 240 F CA -1.311 56.716 58.000 0.045 0.000 0.944 240 F CB 1.603 40.610 39.000 0.012 0.000 1.175 240 F HN 0.349 nan 8.300 nan 0.000 0.468 241 L N 3.093 124.477 121.223 0.268 0.000 2.341 241 L HA 0.697 5.246 4.340 0.348 0.000 0.278 241 L C -0.715 176.224 176.870 0.115 0.000 1.005 241 L CA -0.991 53.992 54.840 0.238 0.000 0.818 241 L CB 1.832 44.133 42.059 0.404 0.000 1.259 241 L HN 0.212 nan 8.230 nan 0.000 0.418 242 V N 3.273 123.261 119.914 0.125 0.000 2.612 242 V HA 0.501 4.830 4.120 0.348 0.000 0.301 242 V C -0.022 176.138 176.094 0.110 0.000 1.046 242 V CA -0.680 61.659 62.300 0.066 0.000 0.946 242 V CB 2.413 34.297 31.823 0.102 0.000 1.003 242 V HN 0.454 nan 8.190 nan 0.000 0.459 243 V N 5.136 125.075 119.914 0.042 0.000 2.483 243 V HA 0.451 4.780 4.120 0.348 0.000 0.297 243 V C -0.025 176.140 176.094 0.117 0.000 1.027 243 V CA -0.332 62.022 62.300 0.091 0.000 0.855 243 V CB 1.409 33.260 31.823 0.046 0.000 0.995 243 V HN 0.652 nan 8.190 nan 0.000 0.424 244 L N 2.264 123.603 121.223 0.192 0.000 2.744 244 L HA 0.406 4.955 4.340 0.348 0.000 0.218 244 L C 2.009 179.010 176.870 0.218 0.000 1.190 244 L CA -0.187 54.806 54.840 0.255 0.000 0.869 244 L CB 0.282 42.602 42.059 0.435 0.000 1.652 244 L HN 0.745 nan 8.230 nan 0.000 0.519 245 E N 0.658 121.036 120.200 0.297 0.000 2.038 245 E HA -0.205 4.354 4.350 0.348 0.000 0.195 245 E C 0.693 177.405 176.600 0.187 0.000 1.000 245 E CA 1.582 58.123 56.400 0.235 0.000 0.803 245 E CB 0.105 29.961 29.700 0.260 0.000 0.750 245 E HN 0.374 nan 8.360 nan 0.000 0.448 246 K N 0.508 121.054 120.400 0.243 0.000 3.165 246 K HA 0.178 4.706 4.320 0.348 0.000 0.259 246 K C -0.016 176.427 176.600 -0.261 0.000 1.282 246 K CA 0.263 56.535 56.287 -0.025 0.000 1.259 246 K CB 0.293 32.776 32.500 -0.028 0.000 1.546 246 K HN 0.322 nan 8.250 nan 0.000 0.384 247 G N 0.910 109.661 108.800 -0.081 0.000 2.242 247 G HA2 -0.282 3.887 3.960 0.348 0.000 0.265 247 G HA3 -0.282 3.887 3.960 0.348 0.000 0.265 247 G C 0.215 175.028 174.900 -0.144 0.000 0.832 247 G CA 0.559 45.618 45.100 -0.067 0.000 1.181 247 G HN 0.635 nan 8.290 nan 0.000 0.428 248 Y N -0.078 120.159 120.300 -0.104 0.000 2.503 248 Y HA 0.111 4.871 4.550 0.349 0.000 0.277 248 Y C 1.703 177.361 175.900 -0.404 0.000 1.102 248 Y CA 0.566 58.512 58.100 -0.257 0.000 1.261 248 Y CB 0.590 38.870 38.460 -0.300 0.000 1.096 248 Y HN 0.517 nan 8.280 nan 0.000 0.546 249 T N 0.745 115.287 114.554 -0.021 0.000 0.877 249 T HA -0.287 4.272 4.350 0.348 0.000 0.737 249 T C -1.272 173.414 174.700 -0.024 0.000 0.986 249 T CA 0.389 62.536 62.100 0.078 0.000 3.897 249 T CB -1.742 67.263 68.868 0.227 0.000 2.204 249 T HN 0.314 nan 8.240 nan 0.000 0.386 250 Y N 2.038 122.534 120.300 0.327 0.000 2.576 250 Y HA 0.551 5.309 4.550 0.347 0.000 0.346 250 Y C -2.180 173.692 175.900 -0.046 0.000 1.018 250 Y CA -2.821 55.376 58.100 0.163 0.000 1.050 250 Y CB 1.774 40.266 38.460 0.052 0.000 1.280 250 Y HN 0.313 nan 8.280 nan 0.000 0.474 251 P HA -0.033 nan 4.420 nan 0.000 0.278 251 P C -0.257 177.017 177.300 -0.042 0.000 1.268 251 P CA 0.799 63.764 63.100 -0.225 0.000 0.813 251 P CB 0.584 32.047 31.700 -0.395 0.000 1.180 252 A N -1.105 121.690 122.820 -0.042 0.000 1.963 252 A HA 0.000 4.529 4.320 0.348 0.000 0.207 252 A C 1.780 179.327 177.584 -0.062 0.000 1.243 252 A CA 1.104 53.128 52.037 -0.023 0.000 0.728 252 A CB -1.648 17.345 19.000 -0.010 0.000 0.895 252 A HN 0.498 nan 8.150 nan 0.000 0.467 253 T N 0.299 114.802 114.554 -0.085 0.000 2.946 253 T HA -0.045 4.513 4.350 0.348 0.000 0.271 253 T C 1.480 176.125 174.700 -0.093 0.000 1.104 253 T CA 1.186 63.234 62.100 -0.088 0.000 1.114 253 T CB -0.296 68.517 68.868 -0.092 0.000 0.867 253 T HN 0.369 nan 8.240 nan 0.000 0.513 254 I N -0.060 120.445 120.570 -0.108 0.000 3.603 254 I HA 0.199 4.578 4.170 0.348 0.000 0.297 254 I C 0.099 176.138 176.117 -0.130 0.000 1.269 254 I CA 0.398 61.620 61.300 -0.130 0.000 1.361 254 I CB 0.314 38.216 38.000 -0.164 0.000 1.063 254 I HN 0.162 nan 8.210 nan 0.000 0.448 255 L N 1.450 122.618 121.223 -0.091 0.000 2.322 255 L HA 0.426 4.975 4.340 0.348 0.000 0.281 255 L C -0.488 176.350 176.870 -0.053 0.000 1.014 255 L CA -0.458 54.340 54.840 -0.071 0.000 0.815 255 L CB 1.564 43.607 42.059 -0.025 0.000 1.247 255 L HN -0.077 nan 8.230 nan 0.000 0.421 256 K N 3.623 123.991 120.400 -0.054 0.000 2.375 256 K HA 0.576 5.105 4.320 0.348 0.000 0.249 256 K C -2.670 173.914 176.600 -0.026 0.000 0.942 256 K CA -1.780 54.480 56.287 -0.044 0.000 0.806 256 K CB 2.750 35.207 32.500 -0.072 0.000 1.227 256 K HN 0.214 nan 8.250 nan 0.000 0.430 257 P HA 0.203 nan 4.420 nan 0.000 0.281 257 P C -0.877 176.420 177.300 -0.005 0.000 1.249 257 P CA -0.596 62.507 63.100 0.005 0.000 0.810 257 P CB 0.947 32.665 31.700 0.030 0.000 1.008 258 V N 3.476 123.387 119.914 -0.005 0.000 2.350 258 V HA 0.285 4.614 4.120 0.348 0.000 0.285 258 V C 0.261 176.359 176.094 0.007 0.000 1.014 258 V CA -0.540 61.756 62.300 -0.006 0.000 0.831 258 V CB 0.620 32.431 31.823 -0.021 0.000 1.000 258 V HN 0.310 nan 8.190 nan 0.000 0.433 259 L N 3.635 124.867 121.223 0.014 0.000 2.334 259 L HA 0.653 5.202 4.340 0.348 0.000 0.277 259 L C 0.546 177.436 176.870 0.033 0.000 1.075 259 L CA -0.342 54.511 54.840 0.022 0.000 0.804 259 L CB 0.969 43.039 42.059 0.018 0.000 1.174 259 L HN 0.478 nan 8.230 nan 0.000 0.438 260 T N -0.199 114.386 114.554 0.051 0.000 2.882 260 T HA 0.168 4.727 4.350 0.348 0.000 0.287 260 T C 0.837 175.613 174.700 0.126 0.000 0.992 260 T CA -0.270 61.885 62.100 0.091 0.000 1.076 260 T CB 0.978 69.903 68.868 0.095 0.000 0.961 260 T HN 0.548 nan 8.240 nan 0.000 0.490 261 Y N 2.056 122.364 120.300 0.013 0.000 1.971 261 Y HA -0.470 4.288 4.550 0.348 0.000 0.181 261 Y C 2.420 178.326 175.900 0.010 0.000 1.167 261 Y CA 2.561 60.667 58.100 0.010 0.000 0.869 261 Y CB -0.359 38.105 38.460 0.008 0.000 0.693 261 Y HN 0.842 nan 8.280 nan 0.000 0.587 262 E N -0.249 120.125 120.200 0.290 0.000 2.110 262 E HA -0.319 4.240 4.350 0.348 0.000 0.225 262 E C 1.010 177.681 176.600 0.118 0.000 1.063 262 E CA 2.076 58.568 56.400 0.153 0.000 0.906 262 E CB -0.508 29.244 29.700 0.087 0.000 0.795 262 E HN 0.535 nan 8.360 nan 0.000 0.479 263 N N 0.665 119.420 118.700 0.091 0.000 2.542 263 N HA 0.102 5.051 4.740 0.348 0.000 0.234 263 N C -0.538 174.995 175.510 0.038 0.000 1.257 263 N CA 0.437 53.523 53.050 0.059 0.000 0.883 263 N CB -0.185 38.329 38.487 0.044 0.000 1.197 263 N HN 0.112 nan 8.380 nan 0.000 0.488 264 L N -0.982 120.268 121.223 0.045 0.000 2.341 264 L HA 0.448 4.997 4.340 0.348 0.000 0.267 264 L C 0.809 177.694 176.870 0.024 0.000 1.022 264 L CA -1.130 53.720 54.840 0.016 0.000 0.844 264 L CB 0.876 42.928 42.059 -0.011 0.000 1.436 264 L HN -0.001 nan 8.230 nan 0.000 0.483 265 E N -0.277 119.928 120.200 0.009 0.000 2.376 265 E HA 0.006 4.565 4.350 0.348 0.000 0.254 265 E C -0.158 176.458 176.600 0.027 0.000 1.213 265 E CA -0.255 56.154 56.400 0.016 0.000 0.945 265 E CB 0.728 30.429 29.700 0.003 0.000 1.057 265 E HN 0.462 nan 8.360 nan 0.000 0.479 266 D N 0.763 121.181 120.400 0.030 0.000 2.087 266 D HA -0.208 4.641 4.640 0.348 0.000 0.192 266 D C 1.692 178.006 176.300 0.024 0.000 0.993 266 D CA 1.897 55.917 54.000 0.033 0.000 0.828 266 D CB 0.006 40.822 40.800 0.028 0.000 0.968 266 D HN 0.559 nan 8.370 nan 0.000 0.448 267 E N 0.874 121.081 120.200 0.012 0.000 2.072 267 E HA -0.181 4.378 4.350 0.348 0.000 0.191 267 E C 1.864 178.460 176.600 -0.007 0.000 0.985 267 E CA 0.938 57.340 56.400 0.003 0.000 0.801 267 E CB -0.357 29.343 29.700 -0.000 0.000 0.750 267 E HN 0.320 nan 8.360 nan 0.000 0.452 268 E N 1.033 121.226 120.200 -0.012 0.000 2.023 268 E HA -0.196 4.362 4.350 0.348 0.000 0.196 268 E C 2.344 178.912 176.600 -0.053 0.000 1.003 268 E CA 1.224 57.607 56.400 -0.029 0.000 0.809 268 E CB -0.139 29.545 29.700 -0.028 0.000 0.755 268 E HN 0.200 nan 8.360 nan 0.000 0.449 269 R N 0.566 121.041 120.500 -0.042 0.000 2.103 269 R HA -0.141 4.408 4.340 0.348 0.000 0.242 269 R C 2.272 178.547 176.300 -0.043 0.000 1.142 269 R CA 1.256 57.312 56.100 -0.072 0.000 0.960 269 R CB -0.305 30.033 30.300 0.063 0.000 0.858 269 R HN 0.245 nan 8.270 nan 0.000 0.439 270 N N 0.411 119.118 118.700 0.012 0.000 2.244 270 N HA -0.161 4.788 4.740 0.348 0.000 0.183 270 N C 1.398 176.902 175.510 -0.009 0.000 1.016 270 N CA 1.045 54.111 53.050 0.028 0.000 0.866 270 N CB 0.198 38.706 38.487 0.034 0.000 0.980 270 N HN 0.341 nan 8.380 nan 0.000 0.430 271 E N 0.038 120.218 120.200 -0.033 0.000 2.028 271 E HA -0.095 4.464 4.350 0.348 0.000 0.190 271 E C 2.082 178.633 176.600 -0.083 0.000 0.984 271 E CA 0.733 57.105 56.400 -0.046 0.000 0.800 271 E CB 0.129 29.806 29.700 -0.039 0.000 0.758 271 E HN 0.062 nan 8.360 nan 0.000 0.448 272 V N 1.484 121.327 119.914 -0.118 0.000 2.324 272 V HA -0.336 3.993 4.120 0.348 0.000 0.250 272 V C 2.322 178.281 176.094 -0.224 0.000 1.060 272 V CA 1.941 64.131 62.300 -0.183 0.000 1.042 272 V CB -0.784 30.895 31.823 -0.240 0.000 0.650 272 V HN 0.363 nan 8.190 nan 0.000 0.450 273 A N -0.030 122.670 122.820 -0.200 0.000 1.940 273 A HA -0.290 4.238 4.320 0.348 0.000 0.219 273 A C 1.969 179.526 177.584 -0.045 0.000 1.176 273 A CA 2.031 54.014 52.037 -0.091 0.000 0.631 273 A CB -0.655 18.414 19.000 0.115 0.000 0.814 273 A HN 0.638 nan 8.150 nan 0.000 0.446 274 D N 0.104 120.465 120.400 -0.065 0.000 2.158 274 D HA -0.177 4.672 4.640 0.348 0.000 0.197 274 D C 1.816 178.028 176.300 -0.146 0.000 0.995 274 D CA 1.844 55.799 54.000 -0.075 0.000 0.846 274 D CB -0.271 40.489 40.800 -0.068 0.000 0.941 274 D HN 0.679 nan 8.370 nan 0.000 0.456 275 I N -0.017 120.423 120.570 -0.216 0.000 2.729 275 I HA -0.105 4.274 4.170 0.348 0.000 0.256 275 I C 2.546 178.371 176.117 -0.486 0.000 1.115 275 I CA 0.204 61.280 61.300 -0.375 0.000 1.446 275 I CB -0.479 37.271 38.000 -0.416 0.000 1.176 275 I HN -0.206 nan 8.210 nan 0.000 0.446 276 V N 1.533 121.242 119.914 -0.342 0.000 2.233 276 V HA -0.184 4.144 4.120 0.348 0.000 0.247 276 V C 1.252 177.325 176.094 -0.036 0.000 1.050 276 V CA 1.639 63.829 62.300 -0.183 0.000 1.010 276 V CB -0.752 31.021 31.823 -0.083 0.000 0.637 276 V HN 0.351 nan 8.190 nan 0.000 0.444 277 R N 0.612 121.120 120.500 0.014 0.000 2.297 277 R HA 0.635 5.184 4.340 0.348 0.000 0.308 277 R C -0.379 175.878 176.300 -0.071 0.000 1.029 277 R CA -0.052 56.057 56.100 0.015 0.000 0.929 277 R CB 1.232 31.567 30.300 0.058 0.000 1.046 277 R HN 0.382 nan 8.270 nan 0.000 0.461 278 M N 1.536 121.091 119.600 -0.076 0.000 2.421 278 M HA 0.223 4.911 4.480 0.348 0.000 0.287 278 M C -1.157 175.089 176.300 -0.090 0.000 1.183 278 M CA -0.587 54.656 55.300 -0.095 0.000 0.916 278 M CB 2.469 35.031 32.600 -0.064 0.000 1.701 278 M HN 0.583 nan 8.290 nan 0.000 0.470 279 E N 4.679 124.808 120.200 -0.119 0.000 3.197 279 E HA -0.133 4.426 4.350 0.348 0.000 0.251 279 E C -1.986 174.616 176.600 0.004 0.000 0.912 279 E CA -0.482 55.866 56.400 -0.086 0.000 0.960 279 E CB -0.096 29.576 29.700 -0.048 0.000 0.897 279 E HN 0.428 nan 8.360 nan 0.000 0.550 280 P HA -0.275 nan 4.420 nan 0.000 0.219 280 P C 1.440 178.923 177.300 0.306 0.000 1.158 280 P CA 1.870 65.055 63.100 0.142 0.000 0.895 280 P CB 0.047 31.766 31.700 0.032 0.000 0.792 281 G N -0.316 108.585 108.800 0.168 0.000 2.421 281 G HA2 -0.256 3.913 3.960 0.348 0.000 0.216 281 G HA3 -0.256 3.913 3.960 0.348 0.000 0.216 281 G C 1.583 176.536 174.900 0.089 0.000 1.171 281 G CA 0.740 45.913 45.100 0.122 0.000 0.775 281 G HN 0.246 nan 8.290 nan 0.000 0.543 282 K N -0.049 120.395 120.400 0.074 0.000 2.020 282 K HA -0.134 4.395 4.320 0.348 0.000 0.212 282 K C 2.589 179.241 176.600 0.087 0.000 1.050 282 K CA 1.364 57.685 56.287 0.057 0.000 0.929 282 K CB -0.207 32.309 32.500 0.027 0.000 0.714 282 K HN 0.224 nan 8.250 nan 0.000 0.443 283 R N 0.897 121.480 120.500 0.138 0.000 2.073 283 R HA -0.136 4.412 4.340 0.348 0.000 0.234 283 R C 2.415 178.799 176.300 0.140 0.000 1.134 283 R CA 1.173 57.383 56.100 0.184 0.000 0.952 283 R CB -0.305 30.156 30.300 0.268 0.000 0.850 283 R HN 0.094 nan 8.270 nan 0.000 0.433 284 L N 1.554 122.837 121.223 0.099 0.000 2.131 284 L HA -0.125 4.423 4.340 0.348 0.000 0.210 284 L C 1.522 178.342 176.870 -0.083 0.000 1.092 284 L CA 1.656 56.372 54.840 -0.207 0.000 0.759 284 L CB -0.459 41.289 42.059 -0.518 0.000 0.903 284 L HN 0.199 nan 8.230 nan 0.000 0.435 285 N N -0.468 118.232 118.700 0.000 0.000 2.142 285 N HA -0.144 4.804 4.740 0.348 0.000 0.186 285 N C 1.873 177.423 175.510 0.066 0.000 1.023 285 N CA 1.590 54.658 53.050 0.031 0.000 0.852 285 N CB -0.323 38.189 38.487 0.043 0.000 0.998 285 N HN 0.359 nan 8.380 nan 0.000 0.424 286 L N 0.801 122.069 121.223 0.076 0.000 1.994 286 L HA -0.098 4.451 4.340 0.348 0.000 0.208 286 L C 2.216 179.109 176.870 0.037 0.000 1.071 286 L CA 0.890 55.797 54.840 0.111 0.000 0.745 286 L CB -0.397 41.744 42.059 0.137 0.000 0.892 286 L HN 0.101 nan 8.230 nan 0.000 0.431 287 I N -0.464 120.095 120.570 -0.018 0.000 2.151 287 I HA -0.370 4.008 4.170 0.348 0.000 0.243 287 I C 2.758 178.781 176.117 -0.156 0.000 1.080 287 I CA 1.460 62.705 61.300 -0.092 0.000 1.339 287 I CB -0.312 37.666 38.000 -0.037 0.000 1.039 287 I HN 0.231 nan 8.210 nan 0.000 0.409 288 R N -0.622 119.820 120.500 -0.097 0.000 2.096 288 R HA -0.224 4.324 4.340 0.348 0.000 0.235 288 R C 2.332 178.565 176.300 -0.112 0.000 1.127 288 R CA 1.675 57.697 56.100 -0.130 0.000 0.968 288 R CB -0.533 29.739 30.300 -0.046 0.000 0.861 288 R HN 0.324 nan 8.270 nan 0.000 0.440 289 Y N 1.282 121.495 120.300 -0.144 0.000 2.089 289 Y HA -0.232 4.526 4.550 0.347 0.000 0.282 289 Y C 1.990 177.740 175.900 -0.249 0.000 1.139 289 Y CA 1.658 59.692 58.100 -0.110 0.000 1.123 289 Y CB -0.274 38.191 38.460 0.009 0.000 0.980 289 Y HN -0.085 nan 8.280 nan 0.000 0.493 290 I N -0.611 119.763 120.570 -0.326 0.000 2.118 290 I HA -0.347 4.032 4.170 0.348 0.000 0.241 290 I C 2.392 178.045 176.117 -0.773 0.000 1.070 290 I CA 1.518 62.368 61.300 -0.749 0.000 1.327 290 I CB -0.734 36.686 38.000 -0.966 0.000 1.034 290 I HN 0.309 nan 8.210 nan 0.000 0.405 291 L N 1.013 121.848 121.223 -0.646 0.000 2.021 291 L HA -0.281 4.268 4.340 0.348 0.000 0.215 291 L C 2.607 179.291 176.870 -0.311 0.000 1.074 291 L CA 1.938 56.459 54.840 -0.532 0.000 0.760 291 L CB -0.616 41.100 42.059 -0.571 0.000 0.889 291 L HN 0.100 nan 8.230 nan 0.000 0.433 292 R N -1.032 119.290 120.500 -0.298 0.000 2.073 292 R HA -0.130 4.419 4.340 0.348 0.000 0.234 292 R C 2.346 178.548 176.300 -0.162 0.000 1.134 292 R CA 1.628 57.602 56.100 -0.209 0.000 0.952 292 R CB -0.322 29.846 30.300 -0.219 0.000 0.850 292 R HN 0.440 nan 8.270 nan 0.000 0.433 293 R N -0.111 120.251 120.500 -0.230 0.000 2.115 293 R HA -0.223 4.325 4.340 0.348 0.000 0.239 293 R C 2.231 178.593 176.300 0.104 0.000 1.133 293 R CA 1.874 57.927 56.100 -0.079 0.000 0.935 293 R CB -0.949 29.307 30.300 -0.073 0.000 0.853 293 R HN 0.274 nan 8.270 nan 0.000 0.433 294 Y N 1.085 121.313 120.300 -0.121 0.000 2.062 294 Y HA -0.239 4.519 4.550 0.347 0.000 0.276 294 Y C 2.663 178.544 175.900 -0.033 0.000 1.189 294 Y CA 0.771 58.825 58.100 -0.076 0.000 1.130 294 Y CB -1.242 37.188 38.460 -0.049 0.000 0.959 294 Y HN -0.160 nan 8.280 nan 0.000 0.499 295 V N -0.040 119.953 119.914 0.132 0.000 2.287 295 V HA -0.322 4.007 4.120 0.348 0.000 0.248 295 V C 2.408 178.533 176.094 0.052 0.000 1.053 295 V CA 2.309 64.653 62.300 0.073 0.000 1.027 295 V CB -0.626 31.206 31.823 0.015 0.000 0.646 295 V HN 0.308 nan 8.190 nan 0.000 0.447 296 K N -0.137 120.283 120.400 0.035 0.000 2.097 296 K HA -0.070 4.458 4.320 0.348 0.000 0.205 296 K C 2.097 178.731 176.600 0.057 0.000 1.050 296 K CA 1.265 57.568 56.287 0.027 0.000 0.938 296 K CB -0.263 32.241 32.500 0.006 0.000 0.718 296 K HN 0.459 nan 8.250 nan 0.000 0.442 297 A N 0.166 123.033 122.820 0.079 0.000 2.119 297 A HA 0.017 4.546 4.320 0.348 0.000 0.217 297 A C 1.657 179.360 177.584 0.199 0.000 1.153 297 A CA 0.905 53.010 52.037 0.112 0.000 0.692 297 A CB -0.028 19.005 19.000 0.055 0.000 0.799 297 A HN 0.290 nan 8.150 nan 0.000 0.458 298 L N -1.892 119.428 121.223 0.162 0.000 2.803 298 L HA 0.077 4.625 4.340 0.348 0.000 0.246 298 L C 2.342 179.373 176.870 0.267 0.000 1.100 298 L CA 0.201 55.192 54.840 0.251 0.000 0.919 298 L CB -0.129 41.941 42.059 0.018 0.000 1.285 298 L HN 0.351 nan 8.230 nan 0.000 0.522 299 R N 0.338 120.900 120.500 0.103 0.000 2.094 299 R HA -0.189 4.360 4.340 0.348 0.000 0.239 299 R C 1.205 177.465 176.300 -0.066 0.000 1.137 299 R CA 1.822 57.894 56.100 -0.047 0.000 0.943 299 R CB -0.873 29.357 30.300 -0.117 0.000 0.850 299 R HN 0.133 nan 8.270 nan 0.000 0.433 300 D N 0.187 120.529 120.400 -0.097 0.000 2.322 300 D HA -0.171 4.677 4.640 0.348 0.000 0.210 300 D C 0.955 177.052 176.300 -0.339 0.000 0.983 300 D CA 1.283 55.131 54.000 -0.253 0.000 0.902 300 D CB -0.097 40.481 40.800 -0.370 0.000 0.905 300 D HN 0.464 nan 8.370 nan 0.000 0.483 301 Y N -1.344 119.014 120.300 0.096 0.000 2.507 301 Y HA 0.348 5.107 4.550 0.348 0.000 0.254 301 Y C 1.778 177.724 175.900 0.077 0.000 1.171 301 Y CA 0.072 58.263 58.100 0.152 0.000 1.238 301 Y CB 0.992 39.602 38.460 0.250 0.000 1.148 301 Y HN -0.016 nan 8.280 nan 0.000 0.525 302 G N -1.180 107.665 108.800 0.075 0.000 2.144 302 G HA2 -0.257 3.911 3.960 0.348 0.000 0.218 302 G HA3 -0.257 3.911 3.960 0.348 0.000 0.218 302 G C -0.343 174.505 174.900 -0.087 0.000 0.988 302 G CA -0.677 44.360 45.100 -0.105 0.000 0.659 302 G HN 0.276 nan 8.290 nan 0.000 0.522 303 W N -0.059 121.279 121.300 0.062 0.000 2.315 303 W HA 0.711 5.580 4.660 0.347 0.000 0.316 303 W C -0.006 176.477 176.519 -0.060 0.000 1.211 303 W CA -0.435 57.021 57.345 0.184 0.000 1.201 303 W CB 0.616 30.177 29.460 0.168 0.000 1.184 303 W HN 0.114 nan 8.180 nan 0.000 0.544 304 Y N 4.209 124.740 120.300 0.385 0.000 2.363 304 Y HA 0.472 5.230 4.550 0.347 0.000 0.325 304 Y C -0.280 175.758 175.900 0.229 0.000 0.984 304 Y CA -0.817 57.420 58.100 0.228 0.000 1.248 304 Y CB 0.753 39.290 38.460 0.129 0.000 1.116 304 Y HN 0.086 nan 8.280 nan 0.000 0.470 305 I N 2.213 122.950 120.570 0.280 0.000 2.382 305 I HA 0.231 4.610 4.170 0.348 0.000 0.286 305 I C 0.233 176.440 176.117 0.149 0.000 1.002 305 I CA -0.703 60.721 61.300 0.206 0.000 1.135 305 I CB 1.722 39.805 38.000 0.140 0.000 1.288 305 I HN 0.451 nan 8.210 nan 0.000 0.448 306 S N 7.803 123.598 115.700 0.158 0.000 2.593 306 S HA 0.047 4.726 4.470 0.348 0.000 0.300 306 S C -1.052 173.618 174.600 0.117 0.000 1.267 306 S CA -0.709 57.572 58.200 0.134 0.000 1.065 306 S CB 0.571 63.856 63.200 0.142 0.000 0.807 306 S HN 0.500 nan 8.310 nan 0.000 0.499 307 P HA 0.070 nan 4.420 nan 0.000 0.233 307 P C -0.147 177.221 177.300 0.114 0.000 1.167 307 P CA 0.577 63.694 63.100 0.029 0.000 0.770 307 P CB 0.183 31.896 31.700 0.021 0.000 0.837 308 E N 0.153 120.469 120.200 0.194 0.000 2.183 308 E HA 0.220 4.779 4.350 0.348 0.000 0.271 308 E C -0.429 176.290 176.600 0.198 0.000 0.919 308 E CA -0.748 55.772 56.400 0.200 0.000 0.781 308 E CB 1.152 30.911 29.700 0.099 0.000 1.140 308 E HN -0.055 nan 8.360 nan 0.000 0.402 309 E N 1.935 122.188 120.200 0.087 0.000 2.459 309 E HA -0.060 4.499 4.350 0.348 0.000 0.264 309 E C -0.158 176.340 176.600 -0.170 0.000 1.055 309 E CA 0.502 56.742 56.400 -0.266 0.000 0.957 309 E CB 0.414 29.979 29.700 -0.227 0.000 0.952 309 E HN 0.276 nan 8.360 nan 0.000 0.448 310 E N 1.476 121.519 120.200 -0.261 0.000 2.345 310 E HA 0.282 4.840 4.350 0.348 0.000 0.259 310 E C -0.261 176.310 176.600 -0.048 0.000 1.117 310 E CA -0.279 56.057 56.400 -0.107 0.000 0.913 310 E CB 0.947 30.537 29.700 -0.182 0.000 1.057 310 E HN 0.293 nan 8.360 nan 0.000 0.432 311 R N -0.021 120.546 120.500 0.112 0.000 2.562 311 R HA 0.447 4.996 4.340 0.348 0.000 0.298 311 R C -0.537 175.914 176.300 0.252 0.000 0.961 311 R CA -0.758 55.431 56.100 0.147 0.000 0.881 311 R CB 1.829 32.195 30.300 0.109 0.000 1.159 311 R HN 0.547 nan 8.270 nan 0.000 0.450 312 A N 2.423 125.422 122.820 0.299 0.000 2.600 312 A HA -0.122 4.407 4.320 0.348 0.000 0.244 312 A C 1.056 178.644 177.584 0.006 0.000 1.016 312 A CA 0.533 52.762 52.037 0.321 0.000 0.778 312 A CB 0.092 19.329 19.000 0.395 0.000 0.920 312 A HN 0.899 nan 8.150 nan 0.000 0.513 313 K N 1.524 121.746 120.400 -0.297 0.000 2.442 313 K HA 0.108 4.636 4.320 0.348 0.000 0.198 313 K C 0.921 177.316 176.600 -0.341 0.000 1.042 313 K CA 1.035 57.045 56.287 -0.462 0.000 0.958 313 K CB -0.203 31.835 32.500 -0.770 0.000 0.766 313 K HN 1.215 nan 8.250 nan 0.000 0.474 314 G N 0.046 108.675 108.800 -0.285 0.000 2.350 314 G HA2 0.006 4.175 3.960 0.348 0.000 0.276 314 G HA3 0.006 4.175 3.960 0.348 0.000 0.276 314 G C -1.875 172.962 174.900 -0.104 0.000 1.313 314 G CA -0.843 44.200 45.100 -0.095 0.000 0.903 314 G HN 0.061 nan 8.290 nan 0.000 0.490 315 K N -0.576 119.768 120.400 -0.092 0.000 2.267 315 K HA 0.817 5.346 4.320 0.348 0.000 0.246 315 K C -0.809 175.766 176.600 -0.042 0.000 0.954 315 K CA -0.829 55.380 56.287 -0.130 0.000 0.824 315 K CB 1.525 33.899 32.500 -0.209 0.000 1.167 315 K HN 0.458 nan 8.250 nan 0.000 0.431 316 L N 2.357 123.536 121.223 -0.074 0.000 2.346 316 L HA 0.459 5.008 4.340 0.348 0.000 0.274 316 L C -0.534 176.341 176.870 0.008 0.000 1.007 316 L CA -1.252 53.512 54.840 -0.126 0.000 0.818 316 L CB 1.744 43.651 42.059 -0.254 0.000 1.284 316 L HN 0.537 nan 8.230 nan 0.000 0.424 317 N N 1.849 120.520 118.700 -0.048 0.000 2.456 317 N HA 0.638 5.586 4.740 0.348 0.000 0.288 317 N C -0.921 174.560 175.510 -0.048 0.000 1.059 317 N CA -0.191 52.776 53.050 -0.139 0.000 0.946 317 N CB 1.379 39.763 38.487 -0.172 0.000 1.150 317 N HN 0.394 nan 8.380 nan 0.000 0.479 318 F N -1.216 118.679 119.950 -0.092 0.000 2.640 318 F HA 0.604 5.341 4.527 0.350 0.000 0.324 318 F C 0.020 175.770 175.800 -0.083 0.000 1.077 318 F CA -1.290 56.656 58.000 -0.090 0.000 0.965 318 F CB 0.763 39.703 39.000 -0.100 0.000 1.351 318 F HN -0.122 nan 8.300 nan 0.000 0.487 319 K N 2.072 122.523 120.400 0.085 0.000 2.245 319 K HA 0.095 4.624 4.320 0.348 0.000 0.281 319 K C -0.102 176.534 176.600 0.059 0.000 1.079 319 K CA 0.152 56.441 56.287 0.002 0.000 1.000 319 K CB -0.409 32.113 32.500 0.037 0.000 1.038 319 K HN 0.766 nan 8.250 nan 0.000 0.430 320 D N -0.159 120.151 120.400 -0.150 0.000 2.363 320 D HA -0.017 4.832 4.640 0.348 0.000 0.214 320 D C -0.152 176.075 176.300 -0.122 0.000 1.093 320 D CA -0.256 53.695 54.000 -0.081 0.000 0.837 320 D CB 0.188 40.813 40.800 -0.291 0.000 0.948 320 D HN -0.024 nan 8.370 nan 0.000 0.507 321 T N 0.446 114.931 114.554 -0.115 0.000 2.832 321 T HA 0.434 4.993 4.350 0.348 0.000 0.296 321 T C -0.538 174.111 174.700 -0.084 0.000 0.968 321 T CA -0.254 61.774 62.100 -0.121 0.000 1.107 321 T CB 1.660 70.471 68.868 -0.096 0.000 0.916 321 T HN -0.108 nan 8.240 nan 0.000 0.517 322 V N 5.277 125.110 119.914 -0.135 0.000 2.808 322 V HA 0.704 5.033 4.120 0.348 0.000 0.308 322 V C -0.928 175.165 176.094 -0.000 0.000 1.099 322 V CA -0.849 61.398 62.300 -0.088 0.000 0.920 322 V CB 1.861 33.520 31.823 -0.273 0.000 1.014 322 V HN 0.803 nan 8.190 nan 0.000 0.425 323 L N 2.447 123.812 121.223 0.236 0.000 2.376 323 L HA 0.943 5.492 4.340 0.348 0.000 0.258 323 L C -0.664 176.527 176.870 0.535 0.000 1.013 323 L CA -0.685 54.374 54.840 0.364 0.000 0.822 323 L CB 2.173 44.386 42.059 0.257 0.000 1.388 323 L HN 0.624 nan 8.230 nan 0.000 0.413 324 D N 1.551 122.180 120.400 0.382 0.000 2.511 324 D HA 0.457 5.306 4.640 0.348 0.000 0.276 324 D C 1.054 177.159 176.300 -0.325 0.000 1.220 324 D CA -0.071 53.985 54.000 0.094 0.000 1.077 324 D CB 0.949 41.706 40.800 -0.072 0.000 1.126 324 D HN 0.771 nan 8.370 nan 0.000 0.583 325 A N -0.901 121.329 122.820 -0.984 0.000 2.172 325 A HA -0.105 4.423 4.320 0.348 0.000 0.216 325 A C 1.739 179.141 177.584 -0.303 0.000 1.154 325 A CA 0.989 52.461 52.037 -0.942 0.000 0.701 325 A CB -0.487 17.975 19.000 -0.897 0.000 0.789 325 A HN 0.333 nan 8.150 nan 0.000 0.465 326 K N -1.541 118.741 120.400 -0.198 0.000 2.056 326 K HA 0.214 4.742 4.320 0.348 0.000 0.205 326 K C 1.237 177.831 176.600 -0.011 0.000 1.035 326 K CA 1.256 57.492 56.287 -0.086 0.000 0.955 326 K CB -0.458 31.993 32.500 -0.082 0.000 0.769 326 K HN 0.714 nan 8.250 nan 0.000 0.447 327 G N 1.610 110.425 108.800 0.024 0.000 2.598 327 G HA2 -0.095 4.073 3.960 0.348 0.000 0.221 327 G HA3 -0.095 4.073 3.960 0.348 0.000 0.221 327 G C -0.695 174.262 174.900 0.096 0.000 1.019 327 G CA -0.609 44.540 45.100 0.082 0.000 0.912 327 G HN 0.109 nan 8.290 nan 0.000 0.574 328 K N 0.356 120.825 120.400 0.115 0.000 2.144 328 K HA 0.611 5.140 4.320 0.348 0.000 0.270 328 K C -0.026 176.758 176.600 0.307 0.000 1.005 328 K CA -0.463 55.925 56.287 0.168 0.000 0.932 328 K CB 0.891 33.456 32.500 0.108 0.000 1.021 328 K HN 0.151 nan 8.250 nan 0.000 0.462 329 N N -0.825 118.019 118.700 0.240 0.000 3.002 329 N HA 0.223 5.172 4.740 0.348 0.000 0.331 329 N C 0.343 175.801 175.510 -0.088 0.000 1.384 329 N CA -0.565 52.529 53.050 0.074 0.000 0.780 329 N CB 0.906 39.411 38.487 0.031 0.000 1.492 329 N HN 0.436 nan 8.380 nan 0.000 0.608 330 T N -0.566 113.884 114.554 -0.174 0.000 3.025 330 T HA -0.074 4.485 4.350 0.348 0.000 0.270 330 T C 1.273 175.903 174.700 -0.118 0.000 1.126 330 T CA 1.108 63.079 62.100 -0.216 0.000 1.105 330 T CB -0.142 68.615 68.868 -0.186 0.000 0.884 330 T HN 0.332 nan 8.240 nan 0.000 0.522 331 K N 0.585 120.954 120.400 -0.052 0.000 2.160 331 K HA -0.054 4.475 4.320 0.348 0.000 0.206 331 K C 2.013 178.621 176.600 0.013 0.000 1.047 331 K CA 0.931 57.209 56.287 -0.015 0.000 0.930 331 K CB -0.193 32.312 32.500 0.007 0.000 0.720 331 K HN 0.229 nan 8.250 nan 0.000 0.450 332 V N 0.726 120.677 119.914 0.062 0.000 2.825 332 V HA -0.039 4.289 4.120 0.348 0.000 0.246 332 V C 1.628 177.759 176.094 0.062 0.000 1.068 332 V CA 0.698 63.072 62.300 0.124 0.000 1.088 332 V CB -0.187 31.816 31.823 0.299 0.000 0.733 332 V HN 0.252 nan 8.190 nan 0.000 0.468 333 I N 1.161 121.681 120.570 -0.083 0.000 3.018 333 I HA -0.227 4.151 4.170 0.348 0.000 0.277 333 I C 1.910 177.951 176.117 -0.127 0.000 1.293 333 I CA 1.166 62.336 61.300 -0.216 0.000 1.427 333 I CB -0.858 36.882 38.000 -0.434 0.000 1.091 333 I HN 0.314 nan 8.210 nan 0.000 0.500 334 T N 0.444 114.955 114.554 -0.072 0.000 3.155 334 T HA -0.017 4.541 4.350 0.348 0.000 0.264 334 T C 0.588 175.270 174.700 -0.029 0.000 1.160 334 T CA 0.764 62.827 62.100 -0.061 0.000 1.075 334 T CB -0.353 68.486 68.868 -0.048 0.000 0.921 334 T HN 0.263 nan 8.240 nan 0.000 0.533 335 N N 0.671 119.374 118.700 0.003 0.000 2.519 335 N HA 0.364 5.313 4.740 0.348 0.000 0.286 335 N C 0.496 176.039 175.510 0.054 0.000 1.079 335 N CA -0.329 52.740 53.050 0.031 0.000 0.878 335 N CB 1.791 40.316 38.487 0.063 0.000 1.375 335 N HN 0.051 nan 8.380 nan 0.000 0.514 336 L N 1.309 122.526 121.223 -0.010 0.000 2.046 336 L HA -0.105 4.443 4.340 0.348 0.000 0.208 336 L C 2.318 179.237 176.870 0.082 0.000 1.077 336 L CA 1.349 56.167 54.840 -0.037 0.000 0.747 336 L CB -0.029 41.918 42.059 -0.186 0.000 0.896 336 L HN 0.380 nan 8.230 nan 0.000 0.432 337 R N 0.248 120.810 120.500 0.103 0.000 2.070 337 R HA -0.204 4.344 4.340 0.348 0.000 0.232 337 R C 2.282 178.707 176.300 0.208 0.000 1.138 337 R CA 1.444 57.681 56.100 0.228 0.000 0.936 337 R CB -0.469 29.995 30.300 0.272 0.000 0.839 337 R HN 0.203 nan 8.270 nan 0.000 0.429 338 K N 0.222 120.720 120.400 0.164 0.000 2.286 338 K HA -0.189 4.339 4.320 0.348 0.000 0.203 338 K C 1.763 178.456 176.600 0.155 0.000 1.045 338 K CA 1.157 57.527 56.287 0.139 0.000 0.935 338 K CB -0.126 32.437 32.500 0.106 0.000 0.737 338 K HN 0.070 nan 8.250 nan 0.000 0.460 339 F N 0.401 120.377 119.950 0.044 0.000 2.234 339 F HA 0.008 4.743 4.527 0.347 0.000 0.296 339 F C 1.342 177.191 175.800 0.082 0.000 1.089 339 F CA 0.941 58.958 58.000 0.028 0.000 1.343 339 F CB 0.156 39.136 39.000 -0.033 0.000 1.040 339 F HN -0.082 nan 8.300 nan 0.000 0.498 340 L N -0.122 121.202 121.223 0.168 0.000 2.209 340 L HA -0.040 4.509 4.340 0.348 0.000 0.207 340 L C 2.174 179.159 176.870 0.192 0.000 1.094 340 L CA 0.807 55.760 54.840 0.187 0.000 0.790 340 L CB -0.713 41.556 42.059 0.351 0.000 0.932 340 L HN 0.054 nan 8.230 nan 0.000 0.447 341 E N 0.796 121.125 120.200 0.215 0.000 2.021 341 E HA -0.255 4.304 4.350 0.348 0.000 0.200 341 E C 2.173 178.782 176.600 0.015 0.000 1.015 341 E CA 1.608 58.153 56.400 0.241 0.000 0.824 341 E CB -0.423 29.394 29.700 0.194 0.000 0.762 341 E HN 0.388 nan 8.360 nan 0.000 0.454 342 L N 1.315 122.499 121.223 -0.066 0.000 2.156 342 L HA -0.037 4.511 4.340 0.348 0.000 0.208 342 L C 1.839 178.563 176.870 -0.245 0.000 1.095 342 L CA 0.143 54.898 54.840 -0.142 0.000 0.770 342 L CB -0.857 41.131 42.059 -0.119 0.000 0.914 342 L HN 0.301 nan 8.230 nan 0.000 0.439 343 C N 1.746 120.818 119.300 -0.379 0.000 2.692 343 C HA 0.162 4.831 4.460 0.348 0.000 0.409 343 C C 0.708 175.533 174.990 -0.275 0.000 1.284 343 C CA -0.789 57.941 59.018 -0.480 0.000 1.909 343 C CB -0.333 26.992 27.740 -0.692 0.000 2.713 343 C HN 0.394 nan 8.230 nan 0.000 0.649 344 R N 4.423 124.773 120.500 -0.250 0.000 2.422 344 R HA 0.454 5.003 4.340 0.348 0.000 0.307 344 R C -2.628 173.519 176.300 -0.255 0.000 1.004 344 R CA -1.365 54.599 56.100 -0.227 0.000 0.882 344 R CB 1.627 31.798 30.300 -0.216 0.000 1.164 344 R HN 0.674 nan 8.270 nan 0.000 0.489 345 P HA 0.072 nan 4.420 nan 0.000 0.274 345 P C -0.556 176.619 177.300 -0.208 0.000 1.237 345 P CA -0.300 62.724 63.100 -0.127 0.000 0.793 345 P CB 0.573 32.247 31.700 -0.043 0.000 0.977 346 F N 0.636 120.581 119.950 -0.009 0.000 2.512 346 F HA 0.069 4.806 4.527 0.350 0.000 0.350 346 F C 0.702 176.480 175.800 -0.036 0.000 1.212 346 F CA 0.000 57.993 58.000 -0.013 0.000 1.099 346 F CB -0.236 38.765 39.000 0.002 0.000 1.238 346 F HN -0.070 nan 8.300 nan 0.000 0.600 347 V N 5.244 125.204 119.914 0.076 0.000 2.389 347 V HA 0.139 4.468 4.120 0.348 0.000 0.264 347 V C 0.663 176.779 176.094 0.036 0.000 1.049 347 V CA -0.467 61.849 62.300 0.027 0.000 0.932 347 V CB 0.992 32.806 31.823 -0.016 0.000 1.011 347 V HN 0.701 nan 8.190 nan 0.000 0.475 348 K N 3.203 123.618 120.400 0.024 0.000 2.402 348 K HA 0.273 4.802 4.320 0.348 0.000 0.204 348 K C 0.399 176.997 176.600 -0.002 0.000 1.056 348 K CA -0.122 56.173 56.287 0.014 0.000 1.069 348 K CB 0.780 33.288 32.500 0.013 0.000 0.888 348 K HN 0.436 nan 8.250 nan 0.000 0.546 349 K N 1.589 121.984 120.400 -0.008 0.000 2.756 349 K HA 0.082 4.611 4.320 0.348 0.000 0.218 349 K C -0.819 175.771 176.600 -0.015 0.000 1.057 349 K CA -0.044 56.235 56.287 -0.013 0.000 1.056 349 K CB 0.775 33.265 32.500 -0.016 0.000 1.235 349 K HN -0.102 nan 8.250 nan 0.000 0.547 350 D N 0.377 120.768 120.400 -0.015 0.000 2.154 350 D HA -0.179 4.669 4.640 0.348 0.000 0.190 350 D C 0.431 176.720 176.300 -0.018 0.000 1.003 350 D CA 1.292 55.281 54.000 -0.018 0.000 0.849 350 D CB 0.150 40.941 40.800 -0.016 0.000 0.942 350 D HN 0.133 nan 8.370 nan 0.000 0.446 351 V N 1.161 121.066 119.914 -0.014 0.000 2.435 351 V HA 0.303 4.632 4.120 0.348 0.000 0.290 351 V C -0.055 176.032 176.094 -0.012 0.000 1.030 351 V CA -0.662 61.630 62.300 -0.012 0.000 0.881 351 V CB 1.794 33.611 31.823 -0.010 0.000 0.983 351 V HN 0.080 nan 8.190 nan 0.000 0.445 352 L N 4.194 125.411 121.223 -0.011 0.000 2.322 352 L HA 0.583 5.132 4.340 0.348 0.000 0.281 352 L C 0.206 177.071 176.870 -0.007 0.000 1.014 352 L CA -0.280 54.554 54.840 -0.011 0.000 0.815 352 L CB 2.195 44.248 42.059 -0.011 0.000 1.247 352 L HN 0.758 nan 8.230 nan 0.000 0.421 353 S N 3.083 118.778 115.700 -0.009 0.000 2.433 353 S HA 0.686 5.364 4.470 0.348 0.000 0.310 353 S C -0.683 173.913 174.600 -0.008 0.000 1.097 353 S CA -0.610 57.587 58.200 -0.006 0.000 1.103 353 S CB 1.446 64.642 63.200 -0.006 0.000 0.992 353 S HN 0.274 nan 8.310 nan 0.000 0.469 354 V N 3.159 123.071 119.914 -0.003 0.000 2.628 354 V HA 0.603 4.932 4.120 0.348 0.000 0.306 354 V C -0.284 175.809 176.094 -0.001 0.000 1.045 354 V CA -0.724 61.573 62.300 -0.005 0.000 0.905 354 V CB 1.687 33.511 31.823 0.002 0.000 0.997 354 V HN 0.978 nan 8.190 nan 0.000 0.436 355 E N 3.032 123.226 120.200 -0.010 0.000 2.176 355 E HA 0.606 5.165 4.350 0.348 0.000 0.267 355 E C -1.339 175.256 176.600 -0.007 0.000 0.893 355 E CA -0.338 56.059 56.400 -0.005 0.000 0.761 355 E CB 1.550 31.242 29.700 -0.013 0.000 1.133 355 E HN 0.619 nan 8.360 nan 0.000 0.409 356 I N 5.779 126.361 120.570 0.020 0.000 2.339 356 I HA 0.357 4.735 4.170 0.348 0.000 0.290 356 I C -0.487 175.662 176.117 0.054 0.000 0.994 356 I CA -0.558 60.767 61.300 0.043 0.000 1.191 356 I CB 1.038 39.105 38.000 0.111 0.000 1.343 356 I HN 0.488 nan 8.210 nan 0.000 0.458 357 I N 5.527 126.117 120.570 0.032 0.000 2.382 357 I HA 0.257 4.636 4.170 0.348 0.000 0.286 357 I C -0.054 176.141 176.117 0.130 0.000 1.002 357 I CA -0.187 61.145 61.300 0.054 0.000 1.135 357 I CB 1.698 39.702 38.000 0.006 0.000 1.288 357 I HN 0.429 nan 8.210 nan 0.000 0.448 358 S N 5.654 121.456 115.700 0.171 0.000 2.449 358 S HA 0.638 5.317 4.470 0.348 0.000 0.310 358 S C -0.634 174.048 174.600 0.137 0.000 1.096 358 S CA -0.505 57.826 58.200 0.218 0.000 1.095 358 S CB 1.192 64.518 63.200 0.210 0.000 1.007 358 S HN 0.308 nan 8.310 nan 0.000 0.474 359 V N 4.968 124.970 119.914 0.147 0.000 2.357 359 V HA 0.743 5.072 4.120 0.348 0.000 0.284 359 V C 0.120 176.301 176.094 0.145 0.000 1.018 359 V CA -0.448 61.935 62.300 0.138 0.000 0.841 359 V CB 0.796 32.715 31.823 0.160 0.000 0.991 359 V HN 0.946 nan 8.190 nan 0.000 0.437 360 S N 3.430 119.201 115.700 0.117 0.000 2.705 360 S HA 0.580 5.258 4.470 0.348 0.000 0.280 360 S C 0.145 174.772 174.600 0.045 0.000 1.174 360 S CA -0.449 57.795 58.200 0.074 0.000 0.823 360 S CB 1.891 65.114 63.200 0.039 0.000 1.162 360 S HN 0.167 nan 8.310 nan 0.000 0.487 361 V N -0.011 119.880 119.914 -0.039 0.000 3.052 361 V HA 0.280 4.608 4.120 0.348 0.000 0.254 361 V C -0.200 175.629 176.094 -0.441 0.000 1.100 361 V CA 0.958 63.126 62.300 -0.220 0.000 1.112 361 V CB -1.162 30.486 31.823 -0.292 0.000 0.738 361 V HN 0.735 nan 8.190 nan 0.000 0.469 362 Y N -1.596 118.715 120.300 0.019 0.000 2.805 362 Y HA 0.414 5.173 4.550 0.348 0.000 0.323 362 Y C 1.111 177.026 175.900 0.025 0.000 1.279 362 Y CA -0.899 57.214 58.100 0.022 0.000 1.103 362 Y CB 1.676 40.145 38.460 0.016 0.000 1.324 362 Y HN -0.412 nan 8.280 nan 0.000 0.498 363 K N 0.073 120.612 120.400 0.231 0.000 2.329 363 K HA 0.217 4.745 4.320 0.348 0.000 0.198 363 K C -0.281 176.381 176.600 0.103 0.000 1.085 363 K CA 0.485 56.848 56.287 0.128 0.000 0.961 363 K CB 0.317 32.878 32.500 0.103 0.000 0.971 363 K HN 0.470 nan 8.250 nan 0.000 0.502 364 K N 1.599 122.063 120.400 0.107 0.000 3.045 364 K HA 0.269 4.798 4.320 0.348 0.000 0.214 364 K C -0.887 175.789 176.600 0.126 0.000 1.213 364 K CA -0.078 56.265 56.287 0.093 0.000 1.111 364 K CB 0.626 33.167 32.500 0.068 0.000 1.454 364 K HN 0.023 nan 8.250 nan 0.000 0.498 365 L N 0.896 122.195 121.223 0.126 0.000 2.574 365 L HA 0.226 4.775 4.340 0.348 0.000 0.258 365 L C 0.305 177.193 176.870 0.030 0.000 1.520 365 L CA -0.217 54.718 54.840 0.158 0.000 0.775 365 L CB 0.832 42.970 42.059 0.131 0.000 1.028 365 L HN 0.077 nan 8.230 nan 0.000 0.516 366 E N 0.648 120.875 120.200 0.044 0.000 2.472 366 E HA -0.028 4.530 4.350 0.348 0.000 0.196 366 E C 1.610 178.149 176.600 -0.102 0.000 1.033 366 E CA 0.121 56.476 56.400 -0.076 0.000 0.886 366 E CB 0.133 29.811 29.700 -0.037 0.000 0.944 366 E HN 0.665 nan 8.360 nan 0.000 0.492 367 W N 1.885 123.142 121.300 -0.071 0.000 2.302 367 W HA -0.227 4.642 4.660 0.349 0.000 0.320 367 W C 1.293 177.770 176.519 -0.070 0.000 1.241 367 W CA 0.901 58.211 57.345 -0.058 0.000 1.264 367 W CB -1.140 28.299 29.460 -0.035 0.000 1.154 367 W HN 0.003 nan 8.180 nan 0.000 0.483 368 R N 1.087 121.019 120.500 -0.947 0.000 2.127 368 R HA -0.122 4.427 4.340 0.348 0.000 0.238 368 R C 2.309 178.380 176.300 -0.382 0.000 1.134 368 R CA 2.079 57.713 56.100 -0.778 0.000 0.975 368 R CB -0.288 29.426 30.300 -0.977 0.000 0.865 368 R HN 0.366 nan 8.270 nan 0.000 0.447 369 K N -0.155 119.953 120.400 -0.487 0.000 2.211 369 K HA -0.070 4.459 4.320 0.348 0.000 0.201 369 K C 1.872 178.253 176.600 -0.364 0.000 1.052 369 K CA 0.688 56.545 56.287 -0.716 0.000 0.973 369 K CB 0.105 31.820 32.500 -1.308 0.000 0.766 369 K HN -0.018 nan 8.250 nan 0.000 0.466 370 E N 2.266 122.360 120.200 -0.176 0.000 2.047 370 E HA -0.166 4.393 4.350 0.348 0.000 0.191 370 E C 1.607 178.241 176.600 0.055 0.000 0.987 370 E CA 1.508 57.897 56.400 -0.018 0.000 0.799 370 E CB 0.091 29.813 29.700 0.036 0.000 0.752 370 E HN 0.250 nan 8.360 nan 0.000 0.449 371 E N -0.418 119.836 120.200 0.089 0.000 2.033 371 E HA -0.206 4.353 4.350 0.348 0.000 0.199 371 E C 1.897 178.567 176.600 0.117 0.000 1.011 371 E CA 1.292 57.764 56.400 0.120 0.000 0.815 371 E CB -0.421 29.389 29.700 0.182 0.000 0.755 371 E HN 0.267 nan 8.360 nan 0.000 0.451 372 F N 1.477 121.421 119.950 -0.011 0.000 2.008 372 F HA -0.330 4.405 4.527 0.347 0.000 0.297 372 F C 2.294 178.135 175.800 0.068 0.000 1.156 372 F CA 1.725 59.739 58.000 0.022 0.000 1.191 372 F CB -0.715 38.307 39.000 0.037 0.000 0.955 372 F HN 0.003 nan 8.300 nan 0.000 0.497 373 L N 0.787 122.199 121.223 0.315 0.000 2.030 373 L HA -0.349 4.200 4.340 0.348 0.000 0.222 373 L C 2.400 179.282 176.870 0.019 0.000 1.082 373 L CA 2.425 57.391 54.840 0.210 0.000 0.785 373 L CB -0.979 41.262 42.059 0.304 0.000 0.895 373 L HN 0.234 nan 8.230 nan 0.000 0.439 374 K N -0.636 119.780 120.400 0.027 0.000 1.977 374 K HA -0.265 4.264 4.320 0.348 0.000 0.218 374 K C 1.946 178.518 176.600 -0.047 0.000 1.051 374 K CA 2.008 58.297 56.287 0.003 0.000 0.953 374 K CB -0.335 32.181 32.500 0.027 0.000 0.727 374 K HN 0.244 nan 8.250 nan 0.000 0.445 375 E N 0.129 120.277 120.200 -0.087 0.000 2.533 375 E HA -0.124 4.434 4.350 0.348 0.000 0.203 375 E C 1.165 177.674 176.600 -0.153 0.000 1.101 375 E CA 0.414 56.754 56.400 -0.099 0.000 0.894 375 E CB 0.073 29.718 29.700 -0.092 0.000 0.843 375 E HN 0.333 nan 8.360 nan 0.000 0.552 376 L N -2.436 118.672 121.223 -0.191 0.000 2.694 376 L HA 0.310 4.858 4.340 0.348 0.000 0.228 376 L C 1.598 178.445 176.870 -0.038 0.000 1.048 376 L CA 0.183 54.895 54.840 -0.214 0.000 0.887 376 L CB -0.088 41.668 42.059 -0.505 0.000 1.265 376 L HN 0.029 nan 8.230 nan 0.000 0.492 377 I N 1.257 121.808 120.570 -0.031 0.000 2.145 377 I HA -0.335 4.043 4.170 0.348 0.000 0.244 377 I C 2.337 178.467 176.117 0.022 0.000 1.075 377 I CA 1.704 63.008 61.300 0.007 0.000 1.332 377 I CB -0.600 37.405 38.000 0.009 0.000 1.033 377 I HN 0.501 nan 8.210 nan 0.000 0.410 378 N N 1.197 119.911 118.700 0.023 0.000 2.020 378 N HA -0.301 4.648 4.740 0.348 0.000 0.200 378 N C 1.915 177.464 175.510 0.064 0.000 1.054 378 N CA 2.090 55.161 53.050 0.036 0.000 0.874 378 N CB -0.652 37.859 38.487 0.039 0.000 1.075 378 N HN 0.280 nan 8.380 nan 0.000 0.446 379 F N 1.453 121.360 119.950 -0.072 0.000 2.063 379 F HA -0.187 4.549 4.527 0.347 0.000 0.298 379 F C 2.411 178.176 175.800 -0.058 0.000 1.109 379 F CA 1.461 59.422 58.000 -0.066 0.000 1.212 379 F CB -0.489 38.461 39.000 -0.084 0.000 0.973 379 F HN 0.115 nan 8.300 nan 0.000 0.480 380 L N -0.163 121.139 121.223 0.132 0.000 2.131 380 L HA -0.246 4.303 4.340 0.348 0.000 0.210 380 L C 2.450 179.283 176.870 -0.062 0.000 1.092 380 L CA 1.409 56.261 54.840 0.020 0.000 0.759 380 L CB -0.614 41.481 42.059 0.061 0.000 0.903 380 L HN 0.160 nan 8.230 nan 0.000 0.435 381 K N -0.134 120.237 120.400 -0.049 0.000 2.031 381 K HA -0.089 4.439 4.320 0.348 0.000 0.205 381 K C 1.573 178.115 176.600 -0.097 0.000 1.049 381 K CA 1.040 57.292 56.287 -0.058 0.000 0.939 381 K CB -0.165 32.315 32.500 -0.034 0.000 0.717 381 K HN 0.211 nan 8.250 nan 0.000 0.438 382 N N 1.343 119.964 118.700 -0.130 0.000 2.651 382 N HA -0.108 4.841 4.740 0.348 0.000 0.193 382 N C 0.225 175.598 175.510 -0.228 0.000 1.149 382 N CA 1.063 54.009 53.050 -0.174 0.000 0.933 382 N CB 0.077 38.442 38.487 -0.205 0.000 0.974 382 N HN 0.158 nan 8.380 nan 0.000 0.448 383 K N -1.384 118.884 120.400 -0.220 0.000 2.536 383 K HA 0.277 4.805 4.320 0.348 0.000 0.203 383 K C 0.487 177.007 176.600 -0.134 0.000 1.063 383 K CA 0.065 56.228 56.287 -0.208 0.000 1.063 383 K CB 0.902 33.239 32.500 -0.271 0.000 0.843 383 K HN 0.034 nan 8.250 nan 0.000 0.521 384 G N 1.680 110.417 108.800 -0.105 0.000 2.132 384 G HA2 -0.213 3.956 3.960 0.348 0.000 0.228 384 G HA3 -0.213 3.956 3.960 0.348 0.000 0.228 384 G C -0.107 174.759 174.900 -0.056 0.000 1.000 384 G CA -0.250 44.806 45.100 -0.074 0.000 0.693 384 G HN 0.251 nan 8.290 nan 0.000 0.515 385 I N -0.000 120.537 120.570 -0.055 0.000 2.478 385 I HA 0.373 4.751 4.170 0.348 0.000 0.287 385 I C -0.048 176.055 176.117 -0.025 0.000 1.042 385 I CA -0.809 60.469 61.300 -0.035 0.000 1.067 385 I CB 1.903 39.885 38.000 -0.031 0.000 1.233 385 I HN -0.091 nan 8.210 nan 0.000 0.431 386 K N 6.632 127.021 120.400 -0.019 0.000 2.211 386 K HA 0.575 5.104 4.320 0.348 0.000 0.275 386 K C -0.908 175.689 176.600 -0.006 0.000 1.024 386 K CA -0.628 55.652 56.287 -0.011 0.000 0.887 386 K CB 1.799 34.292 32.500 -0.011 0.000 1.084 386 K HN 0.472 nan 8.250 nan 0.000 0.463 387 L N 4.576 125.800 121.223 0.001 0.000 2.260 387 L HA 0.234 4.783 4.340 0.348 0.000 0.289 387 L C 0.112 176.986 176.870 0.007 0.000 1.057 387 L CA -0.712 54.130 54.840 0.004 0.000 0.811 387 L CB 0.247 42.313 42.059 0.011 0.000 1.184 387 L HN 0.225 nan 8.230 nan 0.000 0.429 388 K N 4.936 125.338 120.400 0.004 0.000 2.312 388 K HA 0.386 4.915 4.320 0.348 0.000 0.287 388 K C -0.159 176.448 176.600 0.011 0.000 1.062 388 K CA -0.166 56.125 56.287 0.007 0.000 0.934 388 K CB 1.267 33.769 32.500 0.003 0.000 1.027 388 K HN 0.523 nan 8.250 nan 0.000 0.478 389 I N 4.142 124.723 120.570 0.018 0.000 2.421 389 I HA -0.007 4.372 4.170 0.348 0.000 0.291 389 I C 1.551 177.679 176.117 0.017 0.000 1.089 389 I CA 0.078 61.391 61.300 0.023 0.000 1.354 389 I CB 0.476 38.496 38.000 0.035 0.000 1.413 389 I HN 0.376 nan 8.210 nan 0.000 0.513 390 K N 4.545 124.953 120.400 0.012 0.000 2.288 390 K HA 0.094 4.622 4.320 0.348 0.000 0.201 390 K C 0.773 177.381 176.600 0.013 0.000 1.048 390 K CA 0.259 56.551 56.287 0.009 0.000 0.956 390 K CB 0.173 32.675 32.500 0.003 0.000 0.746 390 K HN 0.901 nan 8.250 nan 0.000 0.461 391 G N 0.880 109.691 108.800 0.019 0.000 2.368 391 G HA2 0.040 4.208 3.960 0.348 0.000 0.301 391 G HA3 0.040 4.208 3.960 0.348 0.000 0.301 391 G C -1.889 173.030 174.900 0.032 0.000 1.640 391 G CA -0.881 44.233 45.100 0.023 0.000 0.941 391 G HN -0.035 nan 8.290 nan 0.000 0.695 392 K N -0.198 120.226 120.400 0.041 0.000 2.139 392 K HA 0.817 5.346 4.320 0.348 0.000 0.243 392 K C -0.505 176.123 176.600 0.045 0.000 0.983 392 K CA -0.682 55.639 56.287 0.055 0.000 0.890 392 K CB 1.257 33.798 32.500 0.068 0.000 1.090 392 K HN 0.461 nan 8.250 nan 0.000 0.445 393 S N 2.267 117.998 115.700 0.053 0.000 2.720 393 S HA 0.226 4.904 4.470 0.348 0.000 0.278 393 S C -1.448 173.187 174.600 0.057 0.000 1.172 393 S CA -0.765 57.462 58.200 0.044 0.000 1.019 393 S CB 0.999 64.218 63.200 0.032 0.000 1.049 393 S HN 0.559 nan 8.310 nan 0.000 0.483 394 L N 4.956 126.211 121.223 0.052 0.000 2.259 394 L HA 0.604 5.153 4.340 0.348 0.000 0.288 394 L C -1.060 175.837 176.870 0.046 0.000 1.051 394 L CA -0.118 54.756 54.840 0.057 0.000 0.824 394 L CB -0.074 42.016 42.059 0.052 0.000 1.206 394 L HN 0.626 nan 8.230 nan 0.000 0.429 395 I N 6.035 126.635 120.570 0.050 0.000 2.325 395 I HA 0.225 4.604 4.170 0.348 0.000 0.291 395 I C -0.288 175.854 176.117 0.041 0.000 1.019 395 I CA -0.307 61.015 61.300 0.037 0.000 1.302 395 I CB 0.905 38.924 38.000 0.032 0.000 1.401 395 I HN 0.521 nan 8.210 nan 0.000 0.485 396 L N 6.932 128.169 121.223 0.023 0.000 2.326 396 L HA 0.787 5.336 4.340 0.348 0.000 0.278 396 L C 0.129 177.002 176.870 0.005 0.000 1.092 396 L CA -0.315 54.532 54.840 0.012 0.000 0.810 396 L CB 1.064 43.117 42.059 -0.009 0.000 1.153 396 L HN 0.721 nan 8.230 nan 0.000 0.439 397 A N 2.731 125.569 122.820 0.030 0.000 2.594 397 A HA 0.469 4.998 4.320 0.348 0.000 0.296 397 A C -0.466 177.197 177.584 0.133 0.000 1.056 397 A CA -0.500 51.547 52.037 0.018 0.000 0.693 397 A CB 1.777 20.743 19.000 -0.057 0.000 1.278 397 A HN 0.749 nan 8.150 nan 0.000 0.408 398 Q N -0.177 119.660 119.800 0.063 0.000 2.280 398 Q HA 0.221 4.770 4.340 0.348 0.000 0.228 398 Q C -0.011 176.123 176.000 0.223 0.000 0.857 398 Q CA 0.879 56.781 55.803 0.165 0.000 0.939 398 Q CB 1.097 29.855 28.738 0.032 0.000 1.114 398 Q HN 0.846 nan 8.270 nan 0.000 0.514 399 T N -1.402 113.135 114.554 -0.028 0.000 2.907 399 T HA 0.353 4.912 4.350 0.348 0.000 0.290 399 T C 0.552 174.915 174.700 -0.561 0.000 1.066 399 T CA -0.845 61.202 62.100 -0.089 0.000 1.012 399 T CB 1.601 70.415 68.868 -0.089 0.000 1.184 399 T HN -0.008 nan 8.240 nan 0.000 0.522 400 R N 0.534 120.798 120.500 -0.394 0.000 2.092 400 R HA -0.074 4.474 4.340 0.348 0.000 0.231 400 R C 1.935 178.026 176.300 -0.349 0.000 1.119 400 R CA 1.361 57.193 56.100 -0.446 0.000 0.970 400 R CB -0.215 30.002 30.300 -0.138 0.000 0.864 400 R HN 0.700 nan 8.270 nan 0.000 0.440 401 E N 1.061 121.132 120.200 -0.216 0.000 2.038 401 E HA -0.240 4.319 4.350 0.348 0.000 0.195 401 E C 1.969 178.443 176.600 -0.210 0.000 1.000 401 E CA 1.456 57.756 56.400 -0.167 0.000 0.803 401 E CB -0.055 29.594 29.700 -0.086 0.000 0.750 401 E HN 0.395 nan 8.360 nan 0.000 0.448 402 E N 0.556 120.631 120.200 -0.208 0.000 2.077 402 E HA -0.242 4.317 4.350 0.348 0.000 0.193 402 E C 2.018 178.493 176.600 -0.208 0.000 0.989 402 E CA 1.053 57.348 56.400 -0.175 0.000 0.800 402 E CB -0.097 29.521 29.700 -0.136 0.000 0.746 402 E HN 0.249 nan 8.360 nan 0.000 0.452 403 A N 2.380 125.013 122.820 -0.311 0.000 1.841 403 A HA -0.296 4.232 4.320 0.348 0.000 0.216 403 A C 2.151 179.583 177.584 -0.254 0.000 1.199 403 A CA 2.428 54.294 52.037 -0.285 0.000 0.621 403 A CB -0.878 17.859 19.000 -0.437 0.000 0.835 403 A HN 0.419 nan 8.150 nan 0.000 0.445 404 K N 0.201 120.360 120.400 -0.402 0.000 2.052 404 K HA -0.307 4.221 4.320 0.348 0.000 0.215 404 K C 1.654 178.018 176.600 -0.393 0.000 1.053 404 K CA 2.228 58.105 56.287 -0.683 0.000 0.934 404 K CB -0.605 31.277 32.500 -1.031 0.000 0.717 404 K HN 0.617 nan 8.250 nan 0.000 0.450 405 E N 0.822 120.858 120.200 -0.274 0.000 2.070 405 E HA -0.194 4.364 4.350 0.348 0.000 0.197 405 E C 2.154 178.710 176.600 -0.073 0.000 1.004 405 E CA 1.901 58.215 56.400 -0.143 0.000 0.805 405 E CB -0.069 29.561 29.700 -0.116 0.000 0.744 405 E HN 0.472 nan 8.360 nan 0.000 0.451 406 K N 0.537 120.893 120.400 -0.073 0.000 2.167 406 K HA -0.008 4.520 4.320 0.348 0.000 0.203 406 K C 2.255 178.855 176.600 0.000 0.000 1.052 406 K CA 0.484 56.751 56.287 -0.032 0.000 0.956 406 K CB -0.069 32.411 32.500 -0.034 0.000 0.735 406 K HN 0.069 nan 8.250 nan 0.000 0.451 407 L N 1.157 122.388 121.223 0.014 0.000 2.129 407 L HA -0.228 4.321 4.340 0.348 0.000 0.212 407 L C 2.231 179.158 176.870 0.096 0.000 1.087 407 L CA 1.070 55.957 54.840 0.078 0.000 0.757 407 L CB -0.408 41.755 42.059 0.173 0.000 0.896 407 L HN 0.158 nan 8.230 nan 0.000 0.434 408 I N -0.248 120.391 120.570 0.114 0.000 2.076 408 I HA -0.249 4.129 4.170 0.348 0.000 0.237 408 I C -0.364 175.773 176.117 0.033 0.000 1.059 408 I CA 1.775 63.134 61.300 0.098 0.000 1.317 408 I CB -1.308 36.755 38.000 0.105 0.000 1.037 408 I HN 0.193 nan 8.210 nan 0.000 0.398 409 P HA -0.102 nan 4.420 nan 0.000 0.218 409 P C 1.907 179.209 177.300 0.003 0.000 1.149 409 P CA 1.049 64.153 63.100 0.007 0.000 0.817 409 P CB 0.004 31.707 31.700 0.005 0.000 0.785 410 V N 0.031 119.949 119.914 0.007 0.000 2.220 410 V HA -0.259 4.069 4.120 0.348 0.000 0.246 410 V C 2.391 178.479 176.094 -0.010 0.000 1.049 410 V CA 1.839 64.140 62.300 0.003 0.000 1.003 410 V CB -1.125 30.704 31.823 0.010 0.000 0.634 410 V HN 0.029 nan 8.190 nan 0.000 0.444 411 I N 0.113 120.673 120.570 -0.017 0.000 2.208 411 I HA -0.279 4.100 4.170 0.348 0.000 0.245 411 I C 2.553 178.643 176.117 -0.046 0.000 1.097 411 I CA 1.622 62.895 61.300 -0.046 0.000 1.363 411 I CB -0.647 37.302 38.000 -0.084 0.000 1.051 411 I HN 0.430 nan 8.210 nan 0.000 0.413 412 N N 1.489 120.167 118.700 -0.036 0.000 2.089 412 N HA -0.274 4.675 4.740 0.348 0.000 0.198 412 N C 1.631 177.124 175.510 -0.028 0.000 1.017 412 N CA 1.951 54.981 53.050 -0.032 0.000 0.880 412 N CB -0.063 38.414 38.487 -0.017 0.000 1.042 412 N HN 0.423 nan 8.380 nan 0.000 0.446 413 K N 0.163 120.550 120.400 -0.021 0.000 2.418 413 K HA 0.147 4.675 4.320 0.348 0.000 0.195 413 K C 0.422 177.010 176.600 -0.020 0.000 1.035 413 K CA -0.000 56.277 56.287 -0.017 0.000 1.003 413 K CB 0.257 32.751 32.500 -0.010 0.000 0.793 413 K HN 0.257 nan 8.250 nan 0.000 0.494 414 I N 3.124 123.679 120.570 -0.026 0.000 2.576 414 I HA -0.074 4.305 4.170 0.348 0.000 0.288 414 I C -0.053 176.046 176.117 -0.030 0.000 1.126 414 I CA 0.514 61.798 61.300 -0.027 0.000 1.362 414 I CB -0.078 37.902 38.000 -0.034 0.000 1.419 414 I HN -0.011 nan 8.210 nan 0.000 0.533 415 K N 4.652 125.038 120.400 -0.024 0.000 2.221 415 K HA 0.351 4.880 4.320 0.348 0.000 0.243 415 K C -0.509 176.078 176.600 -0.023 0.000 0.968 415 K CA -1.002 55.270 56.287 -0.025 0.000 0.846 415 K CB 0.995 33.483 32.500 -0.020 0.000 1.141 415 K HN 0.368 nan 8.250 nan 0.000 0.434 416 D N 0.849 121.234 120.400 -0.025 0.000 2.890 416 D HA -0.135 4.714 4.640 0.348 0.000 0.226 416 D C -0.920 175.368 176.300 -0.020 0.000 1.207 416 D CA 0.898 54.885 54.000 -0.022 0.000 0.764 416 D CB -0.993 39.797 40.800 -0.017 0.000 0.948 416 D HN 0.340 nan 8.370 nan 0.000 0.404 417 V N -2.630 117.271 119.914 -0.023 0.000 3.007 417 V HA 0.516 4.844 4.120 0.348 0.000 0.311 417 V C 0.783 176.865 176.094 -0.020 0.000 1.120 417 V CA -0.820 61.468 62.300 -0.020 0.000 0.980 417 V CB 2.580 34.391 31.823 -0.021 0.000 1.033 417 V HN -0.111 nan 8.190 nan 0.000 0.429 418 D N 0.904 121.294 120.400 -0.017 0.000 2.323 418 D HA 0.239 5.088 4.640 0.348 0.000 0.209 418 D C 0.026 176.316 176.300 -0.018 0.000 0.973 418 D CA 1.253 55.243 54.000 -0.016 0.000 0.874 418 D CB 1.050 41.841 40.800 -0.016 0.000 0.930 418 D HN 0.418 nan 8.370 nan 0.000 0.521 419 L N -0.156 121.053 121.223 -0.022 0.000 2.653 419 L HA 0.293 4.842 4.340 0.348 0.000 0.257 419 L C -1.845 175.002 176.870 -0.038 0.000 0.969 419 L CA -0.761 54.061 54.840 -0.030 0.000 0.869 419 L CB 2.394 44.434 42.059 -0.031 0.000 1.439 419 L HN -0.355 nan 8.230 nan 0.000 0.414 420 V N 4.598 124.479 119.914 -0.055 0.000 2.487 420 V HA 0.578 4.907 4.120 0.348 0.000 0.298 420 V C -0.284 175.744 176.094 -0.110 0.000 1.028 420 V CA -0.404 61.854 62.300 -0.071 0.000 0.860 420 V CB 1.692 33.470 31.823 -0.074 0.000 0.991 420 V HN 0.577 nan 8.190 nan 0.000 0.427 421 I N 4.821 125.313 120.570 -0.131 0.000 2.404 421 I HA 0.601 4.980 4.170 0.348 0.000 0.293 421 I C -0.765 175.165 176.117 -0.311 0.000 0.992 421 I CA -0.877 60.275 61.300 -0.247 0.000 1.149 421 I CB 2.089 39.924 38.000 -0.275 0.000 1.315 421 I HN 0.308 nan 8.210 nan 0.000 0.446 422 V N 5.818 125.494 119.914 -0.397 0.000 2.443 422 V HA 0.410 4.738 4.120 0.348 0.000 0.293 422 V C -0.707 175.167 176.094 -0.367 0.000 1.021 422 V CA -0.647 61.484 62.300 -0.282 0.000 0.848 422 V CB 1.219 32.932 31.823 -0.183 0.000 0.998 422 V HN 0.397 nan 8.190 nan 0.000 0.424 423 F N 4.803 124.739 119.950 -0.025 0.000 2.385 423 F HA 0.599 5.336 4.527 0.350 0.000 0.360 423 F C 0.115 175.914 175.800 -0.002 0.000 1.122 423 F CA -0.464 57.516 58.000 -0.033 0.000 1.090 423 F CB 1.242 40.217 39.000 -0.040 0.000 1.150 423 F HN 0.224 nan 8.300 nan 0.000 0.472 424 L N 3.525 124.854 121.223 0.177 0.000 2.313 424 L HA 0.395 4.944 4.340 0.348 0.000 0.283 424 L C 0.102 177.058 176.870 0.144 0.000 1.013 424 L CA -0.640 54.298 54.840 0.164 0.000 0.816 424 L CB 1.891 44.044 42.059 0.157 0.000 1.236 424 L HN 0.634 nan 8.230 nan 0.000 0.419 425 E N 2.237 122.520 120.200 0.138 0.000 2.342 425 E HA 0.127 4.685 4.350 0.348 0.000 0.257 425 E C -0.588 175.987 176.600 -0.041 0.000 1.150 425 E CA -0.581 55.812 56.400 -0.012 0.000 0.926 425 E CB 1.127 30.734 29.700 -0.156 0.000 1.074 425 E HN 0.641 nan 8.360 nan 0.000 0.449 426 E N 1.629 121.718 120.200 -0.185 0.000 2.174 426 E HA 0.146 4.705 4.350 0.348 0.000 0.282 426 E C -1.680 174.754 176.600 -0.276 0.000 0.992 426 E CA -0.498 55.846 56.400 -0.093 0.000 0.803 426 E CB 0.597 30.267 29.700 -0.049 0.000 1.090 426 E HN 0.332 nan 8.360 nan 0.000 0.396 427 Y N 5.087 125.403 120.300 0.027 0.000 2.356 427 Y HA 0.261 5.019 4.550 0.348 0.000 0.334 427 Y C -1.566 174.346 175.900 0.019 0.000 0.958 427 Y CA -2.282 55.829 58.100 0.018 0.000 1.196 427 Y CB 1.649 40.114 38.460 0.009 0.000 1.137 427 Y HN 0.602 nan 8.280 nan 0.000 0.485 428 P HA -0.055 nan 4.420 nan 0.000 0.216 428 P C -0.025 177.313 177.300 0.063 0.000 1.153 428 P CA 1.265 64.400 63.100 0.057 0.000 0.844 428 P CB 0.968 32.685 31.700 0.028 0.000 0.787 429 K N -1.653 118.788 120.400 0.068 0.000 2.208 429 K HA 0.673 5.202 4.320 0.348 0.000 0.240 429 K C -0.990 175.635 176.600 0.042 0.000 1.088 429 K CA -1.061 55.251 56.287 0.041 0.000 0.902 429 K CB 1.935 34.449 32.500 0.023 0.000 1.355 429 K HN -0.327 nan 8.250 nan 0.000 0.526 430 V N 0.515 120.432 119.914 0.006 0.000 2.731 430 V HA -0.069 4.260 4.120 0.348 0.000 0.275 430 V C -1.907 174.146 176.094 -0.067 0.000 1.859 430 V CA -1.007 61.286 62.300 -0.012 0.000 0.858 430 V CB 1.783 33.611 31.823 0.009 0.000 1.365 430 V HN 0.817 nan 8.190 nan 0.000 0.394 431 D N 4.249 124.596 120.400 -0.089 0.000 2.662 431 D HA 0.038 4.886 4.640 0.348 0.000 0.233 431 D C -1.652 174.464 176.300 -0.307 0.000 1.129 431 D CA -0.180 53.694 54.000 -0.211 0.000 0.851 431 D CB 1.549 42.279 40.800 -0.116 0.000 1.152 431 D HN 0.318 nan 8.370 nan 0.000 0.507 432 P HA -0.114 nan 4.420 nan 0.000 0.225 432 P C 0.556 177.694 177.300 -0.269 0.000 1.148 432 P CA 1.152 64.046 63.100 -0.344 0.000 0.779 432 P CB 0.049 31.550 31.700 -0.332 0.000 0.780 433 Y N -0.719 119.573 120.300 -0.013 0.000 2.301 433 Y HA 0.220 4.978 4.550 0.347 0.000 0.295 433 Y C 1.762 177.613 175.900 -0.082 0.000 1.126 433 Y CA 0.200 58.280 58.100 -0.033 0.000 1.154 433 Y CB -1.279 37.173 38.460 -0.014 0.000 1.075 433 Y HN -0.290 nan 8.280 nan 0.000 0.534 434 K N 1.826 122.281 120.400 0.092 0.000 2.687 434 K HA -0.024 4.505 4.320 0.348 0.000 0.197 434 K C 0.299 176.809 176.600 -0.150 0.000 1.018 434 K CA 0.552 56.808 56.287 -0.051 0.000 1.035 434 K CB -0.561 31.941 32.500 0.003 0.000 0.834 434 K HN 0.322 nan 8.250 nan 0.000 0.496 435 S N 1.094 116.729 115.700 -0.108 0.000 3.232 435 S HA 0.043 4.722 4.470 0.348 0.000 0.298 435 S C 0.022 174.582 174.600 -0.066 0.000 1.159 435 S CA -0.271 57.894 58.200 -0.058 0.000 1.240 435 S CB -0.899 62.286 63.200 -0.024 0.000 1.584 435 S HN 0.072 nan 8.310 nan 0.000 0.558 436 F N 1.430 121.389 119.950 0.015 0.000 2.406 436 F HA 0.393 5.127 4.527 0.346 0.000 0.327 436 F C 0.786 176.615 175.800 0.048 0.000 1.153 436 F CA -1.026 56.991 58.000 0.030 0.000 1.218 436 F CB 0.666 39.653 39.000 -0.021 0.000 1.215 436 F HN 0.311 nan 8.300 nan 0.000 0.570 437 L N 3.422 124.846 121.223 0.335 0.000 2.282 437 L HA 0.147 4.696 4.340 0.348 0.000 0.288 437 L C 0.737 177.752 176.870 0.242 0.000 1.033 437 L CA -0.714 54.267 54.840 0.235 0.000 0.807 437 L CB 1.505 43.679 42.059 0.193 0.000 1.209 437 L HN 0.656 nan 8.230 nan 0.000 0.423 438 L N 3.897 125.238 121.223 0.197 0.000 2.012 438 L HA -0.254 4.295 4.340 0.348 0.000 0.210 438 L C 2.005 179.021 176.870 0.244 0.000 1.073 438 L CA 2.072 57.014 54.840 0.169 0.000 0.748 438 L CB -0.760 41.379 42.059 0.133 0.000 0.891 438 L HN 0.609 nan 8.230 nan 0.000 0.431 439 Y N 0.072 120.436 120.300 0.107 0.000 2.128 439 Y HA -0.324 4.434 4.550 0.346 0.000 0.284 439 Y C 2.341 178.286 175.900 0.075 0.000 1.154 439 Y CA 1.918 60.066 58.100 0.081 0.000 1.149 439 Y CB -0.137 38.362 38.460 0.066 0.000 0.976 439 Y HN 0.293 nan 8.280 nan 0.000 0.505 440 D N 0.218 120.860 120.400 0.404 0.000 2.127 440 D HA -0.281 4.568 4.640 0.348 0.000 0.190 440 D C 1.943 178.326 176.300 0.138 0.000 1.000 440 D CA 1.923 56.077 54.000 0.256 0.000 0.839 440 D CB -1.014 39.924 40.800 0.231 0.000 0.955 440 D HN 0.445 nan 8.370 nan 0.000 0.446 441 F N 1.557 121.496 119.950 -0.018 0.000 2.043 441 F HA -0.295 4.442 4.527 0.350 0.000 0.297 441 F C 2.297 178.018 175.800 -0.131 0.000 1.118 441 F CA 1.471 59.379 58.000 -0.153 0.000 1.202 441 F CB -0.530 38.279 39.000 -0.318 0.000 0.965 441 F HN -0.161 nan 8.300 nan 0.000 0.482 442 V N 0.275 120.115 119.914 -0.123 0.000 2.343 442 V HA -0.297 4.032 4.120 0.348 0.000 0.247 442 V C 2.501 178.435 176.094 -0.267 0.000 1.051 442 V CA 2.145 64.304 62.300 -0.235 0.000 1.036 442 V CB -0.760 30.997 31.823 -0.109 0.000 0.654 442 V HN 0.209 nan 8.190 nan 0.000 0.451 443 K N 0.366 120.643 120.400 -0.204 0.000 2.026 443 K HA -0.097 4.432 4.320 0.348 0.000 0.208 443 K C 2.276 178.797 176.600 -0.131 0.000 1.048 443 K CA 1.421 57.620 56.287 -0.147 0.000 0.929 443 K CB -0.471 32.008 32.500 -0.035 0.000 0.713 443 K HN 0.361 nan 8.250 nan 0.000 0.439 444 R N 0.496 120.900 120.500 -0.159 0.000 2.082 444 R HA -0.131 4.418 4.340 0.348 0.000 0.234 444 R C 1.987 178.148 176.300 -0.231 0.000 1.136 444 R CA 1.479 57.475 56.100 -0.173 0.000 0.935 444 R CB -0.433 29.772 30.300 -0.158 0.000 0.842 444 R HN 0.174 nan 8.270 nan 0.000 0.430 445 E N 0.865 120.827 120.200 -0.397 0.000 2.130 445 E HA -0.183 4.376 4.350 0.348 0.000 0.196 445 E C 2.095 178.564 176.600 -0.218 0.000 0.998 445 E CA 1.225 57.403 56.400 -0.371 0.000 0.806 445 E CB -0.246 29.124 29.700 -0.550 0.000 0.738 445 E HN 0.350 nan 8.360 nan 0.000 0.459 446 L N -0.455 120.659 121.223 -0.181 0.000 2.168 446 L HA -0.011 4.537 4.340 0.348 0.000 0.203 446 L C 2.487 179.331 176.870 -0.042 0.000 1.078 446 L CA 0.269 55.044 54.840 -0.107 0.000 0.780 446 L CB -0.300 41.700 42.059 -0.099 0.000 0.939 446 L HN 0.069 nan 8.230 nan 0.000 0.451 447 L N 0.045 121.265 121.223 -0.005 0.000 2.013 447 L HA -0.303 4.246 4.340 0.348 0.000 0.212 447 L C 2.648 179.532 176.870 0.022 0.000 1.073 447 L CA 1.604 56.501 54.840 0.095 0.000 0.753 447 L CB -0.542 41.564 42.059 0.078 0.000 0.890 447 L HN 0.233 nan 8.230 nan 0.000 0.432 448 K N -0.024 120.345 120.400 -0.051 0.000 2.107 448 K HA -0.247 4.281 4.320 0.348 0.000 0.211 448 K C 1.904 178.455 176.600 -0.083 0.000 1.049 448 K CA 1.593 57.835 56.287 -0.074 0.000 0.927 448 K CB -0.167 32.278 32.500 -0.093 0.000 0.714 448 K HN 0.327 nan 8.250 nan 0.000 0.452 449 K N -0.258 120.090 120.400 -0.086 0.000 2.459 449 K HA 0.085 4.614 4.320 0.348 0.000 0.193 449 K C 0.367 176.884 176.600 -0.137 0.000 1.030 449 K CA 0.331 56.561 56.287 -0.096 0.000 1.026 449 K CB 0.311 32.761 32.500 -0.084 0.000 0.809 449 K HN 0.164 nan 8.250 nan 0.000 0.504 450 M N -0.538 118.945 119.600 -0.194 0.000 2.943 450 M HA -0.196 4.492 4.480 0.348 0.000 0.198 450 M C -0.346 175.771 176.300 -0.305 0.000 0.606 450 M CA 1.007 56.023 55.300 -0.474 0.000 0.744 450 M CB -2.358 29.988 32.600 -0.423 0.000 2.671 450 M HN 0.058 nan 8.290 nan 0.000 0.342 451 I N 1.481 121.994 120.570 -0.096 0.000 2.315 451 I HA 0.301 4.679 4.170 0.348 0.000 0.291 451 I C -1.718 174.433 176.117 0.057 0.000 1.006 451 I CA -1.842 59.441 61.300 -0.029 0.000 1.265 451 I CB 1.276 39.251 38.000 -0.042 0.000 1.387 451 I HN -0.154 nan 8.210 nan 0.000 0.475 452 P HA 0.049 nan 4.420 nan 0.000 0.267 452 P C -0.786 176.519 177.300 0.008 0.000 1.200 452 P CA -0.035 63.112 63.100 0.077 0.000 0.772 452 P CB 0.623 32.341 31.700 0.030 0.000 0.855 453 S N 1.081 116.773 115.700 -0.013 0.000 2.569 453 S HA 0.652 5.331 4.470 0.348 0.000 0.280 453 S C -1.208 173.338 174.600 -0.089 0.000 1.111 453 S CA -0.791 57.370 58.200 -0.067 0.000 0.887 453 S CB 1.906 65.052 63.200 -0.091 0.000 1.095 453 S HN 0.312 nan 8.310 nan 0.000 0.476 454 Q N 1.334 121.059 119.800 -0.125 0.000 2.309 454 Q HA 0.627 5.176 4.340 0.348 0.000 0.270 454 Q C -1.891 173.977 176.000 -0.221 0.000 1.023 454 Q CA -0.544 55.179 55.803 -0.134 0.000 0.758 454 Q CB 1.737 30.415 28.738 -0.100 0.000 1.247 454 Q HN 0.703 nan 8.270 nan 0.000 0.455 455 V N 6.205 125.969 119.914 -0.250 0.000 2.370 455 V HA 0.504 4.833 4.120 0.348 0.000 0.283 455 V C -0.286 175.723 176.094 -0.143 0.000 1.023 455 V CA -0.478 61.621 62.300 -0.334 0.000 0.857 455 V CB 1.259 32.623 31.823 -0.765 0.000 0.985 455 V HN 0.767 nan 8.190 nan 0.000 0.443 456 I N 5.808 126.272 120.570 -0.177 0.000 2.382 456 I HA 0.361 4.740 4.170 0.348 0.000 0.286 456 I C -0.185 175.957 176.117 0.043 0.000 1.002 456 I CA -0.313 60.932 61.300 -0.091 0.000 1.135 456 I CB 1.528 39.382 38.000 -0.244 0.000 1.288 456 I HN 0.371 nan 8.210 nan 0.000 0.448 457 L N 6.158 127.435 121.223 0.089 0.000 2.410 457 L HA 0.144 4.693 4.340 0.348 0.000 0.273 457 L C 1.678 178.570 176.870 0.037 0.000 1.152 457 L CA -0.026 54.871 54.840 0.096 0.000 0.855 457 L CB 0.247 42.362 42.059 0.093 0.000 1.129 457 L HN 0.701 nan 8.230 nan 0.000 0.463 458 N N 2.508 121.228 118.700 0.034 0.000 2.205 458 N HA -0.166 4.783 4.740 0.348 0.000 0.186 458 N C 1.714 177.191 175.510 -0.055 0.000 1.015 458 N CA 1.207 54.238 53.050 -0.032 0.000 0.862 458 N CB 0.176 38.633 38.487 -0.050 0.000 0.986 458 N HN 0.563 nan 8.380 nan 0.000 0.429 459 R N -0.082 120.402 120.500 -0.028 0.000 2.113 459 R HA -0.125 4.424 4.340 0.348 0.000 0.244 459 R C 2.078 178.358 176.300 -0.033 0.000 1.142 459 R CA 1.898 57.982 56.100 -0.027 0.000 0.953 459 R CB -0.588 29.708 30.300 -0.008 0.000 0.860 459 R HN 0.256 nan 8.270 nan 0.000 0.438 460 T N 1.665 116.201 114.554 -0.030 0.000 2.684 460 T HA -0.100 4.459 4.350 0.348 0.000 0.267 460 T C 1.838 176.504 174.700 -0.058 0.000 1.036 460 T CA 1.136 63.218 62.100 -0.030 0.000 1.148 460 T CB -0.165 68.676 68.868 -0.045 0.000 0.863 460 T HN 0.176 nan 8.240 nan 0.000 0.436 461 L N 0.185 121.341 121.223 -0.112 0.000 2.187 461 L HA -0.100 4.448 4.340 0.348 0.000 0.213 461 L C 2.504 179.307 176.870 -0.112 0.000 1.100 461 L CA 1.352 56.106 54.840 -0.144 0.000 0.765 461 L CB -0.449 41.477 42.059 -0.223 0.000 0.904 461 L HN 0.235 nan 8.230 nan 0.000 0.437 462 K N -0.588 119.758 120.400 -0.090 0.000 2.211 462 K HA 0.029 4.558 4.320 0.348 0.000 0.201 462 K C 1.746 178.326 176.600 -0.032 0.000 1.052 462 K CA 0.493 56.737 56.287 -0.071 0.000 0.973 462 K CB 0.203 32.662 32.500 -0.068 0.000 0.766 462 K HN 0.293 nan 8.250 nan 0.000 0.466 463 N N 0.272 118.958 118.700 -0.023 0.000 2.402 463 N HA -0.011 4.937 4.740 0.348 0.000 0.174 463 N C -0.033 175.472 175.510 -0.010 0.000 1.027 463 N CA 0.744 53.785 53.050 -0.014 0.000 0.891 463 N CB 0.525 39.004 38.487 -0.013 0.000 1.016 463 N HN 0.079 nan 8.380 nan 0.000 0.439 464 E N 1.292 121.499 120.200 0.013 0.000 2.207 464 E HA 0.288 4.846 4.350 0.348 0.000 0.270 464 E C -0.432 176.216 176.600 0.081 0.000 0.927 464 E CA -0.569 55.861 56.400 0.049 0.000 0.799 464 E CB 1.305 31.096 29.700 0.152 0.000 1.172 464 E HN 0.072 nan 8.360 nan 0.000 0.404 465 N N 2.156 120.914 118.700 0.096 0.000 2.513 465 N HA -0.024 4.925 4.740 0.348 0.000 0.268 465 N C 1.205 176.810 175.510 0.158 0.000 1.180 465 N CA -0.199 52.914 53.050 0.105 0.000 0.948 465 N CB 1.327 39.861 38.487 0.078 0.000 1.083 465 N HN 0.303 nan 8.380 nan 0.000 0.455 466 L N 3.796 125.098 121.223 0.131 0.000 2.064 466 L HA -0.250 4.299 4.340 0.348 0.000 0.216 466 L C 1.966 178.921 176.870 0.141 0.000 1.077 466 L CA 1.922 56.858 54.840 0.159 0.000 0.766 466 L CB -0.293 41.850 42.059 0.139 0.000 0.890 466 L HN 0.507 nan 8.230 nan 0.000 0.435 467 K N -1.716 118.748 120.400 0.106 0.000 2.103 467 K HA -0.166 4.363 4.320 0.348 0.000 0.204 467 K C 2.134 178.763 176.600 0.049 0.000 1.052 467 K CA 1.410 57.729 56.287 0.055 0.000 0.945 467 K CB -0.524 32.020 32.500 0.073 0.000 0.722 467 K HN 0.300 nan 8.250 nan 0.000 0.443 468 F N 2.381 122.304 119.950 -0.044 0.000 2.046 468 F HA -0.259 4.476 4.527 0.348 0.000 0.297 468 F C 2.065 177.734 175.800 -0.218 0.000 1.123 468 F CA 1.355 59.279 58.000 -0.127 0.000 1.199 468 F CB -0.531 38.421 39.000 -0.081 0.000 0.972 468 F HN -0.302 nan 8.300 nan 0.000 0.474 469 V N 0.541 120.378 119.914 -0.128 0.000 2.407 469 V HA -0.272 4.057 4.120 0.348 0.000 0.248 469 V C 2.391 178.467 176.094 -0.030 0.000 1.055 469 V CA 1.670 63.856 62.300 -0.191 0.000 1.049 469 V CB -0.932 30.887 31.823 -0.007 0.000 0.662 469 V HN 0.473 nan 8.190 nan 0.000 0.455 470 L N -0.437 120.833 121.223 0.078 0.000 2.013 470 L HA -0.193 4.356 4.340 0.348 0.000 0.212 470 L C 2.194 178.873 176.870 -0.318 0.000 1.073 470 L CA 1.994 56.761 54.840 -0.121 0.000 0.753 470 L CB -0.449 41.436 42.059 -0.290 0.000 0.890 470 L HN 0.190 nan 8.230 nan 0.000 0.432 471 L N -0.769 120.236 121.223 -0.363 0.000 1.973 471 L HA -0.236 4.313 4.340 0.348 0.000 0.208 471 L C 2.315 179.014 176.870 -0.285 0.000 1.073 471 L CA 1.538 56.195 54.840 -0.305 0.000 0.746 471 L CB -0.954 41.045 42.059 -0.101 0.000 0.891 471 L HN 0.309 nan 8.230 nan 0.000 0.433 472 N N -0.221 118.045 118.700 -0.723 0.000 2.122 472 N HA -0.237 4.712 4.740 0.348 0.000 0.199 472 N C 1.628 177.043 175.510 -0.159 0.000 1.007 472 N CA 1.829 54.536 53.050 -0.572 0.000 0.892 472 N CB -0.976 37.009 38.487 -0.838 0.000 1.050 472 N HN 0.152 nan 8.380 nan 0.000 0.468 473 V N 0.459 120.293 119.914 -0.134 0.000 2.346 473 V HA -0.031 4.298 4.120 0.348 0.000 0.244 473 V C 2.328 178.424 176.094 0.003 0.000 1.037 473 V CA 1.514 63.805 62.300 -0.015 0.000 1.029 473 V CB -1.001 30.901 31.823 0.131 0.000 0.663 473 V HN 0.384 nan 8.190 nan 0.000 0.454 474 A N -0.034 122.766 122.820 -0.034 0.000 1.940 474 A HA -0.306 4.222 4.320 0.348 0.000 0.219 474 A C 2.267 179.906 177.584 0.090 0.000 1.176 474 A CA 2.196 54.243 52.037 0.016 0.000 0.631 474 A CB -0.546 18.405 19.000 -0.081 0.000 0.814 474 A HN 0.656 nan 8.150 nan 0.000 0.446 475 E N -0.585 119.685 120.200 0.117 0.000 2.077 475 E HA -0.267 4.292 4.350 0.348 0.000 0.193 475 E C 2.142 178.791 176.600 0.082 0.000 0.989 475 E CA 1.505 58.011 56.400 0.178 0.000 0.800 475 E CB -0.149 29.733 29.700 0.302 0.000 0.746 475 E HN 0.779 nan 8.360 nan 0.000 0.452 476 Q N -0.229 119.601 119.800 0.050 0.000 2.062 476 Q HA -0.076 4.472 4.340 0.348 0.000 0.196 476 Q C 2.345 178.308 176.000 -0.062 0.000 0.967 476 Q CA 1.263 57.059 55.803 -0.012 0.000 0.832 476 Q CB 0.241 28.977 28.738 -0.004 0.000 0.899 476 Q HN 0.180 nan 8.270 nan 0.000 0.442 477 V N 1.301 121.197 119.914 -0.029 0.000 2.324 477 V HA -0.305 4.023 4.120 0.348 0.000 0.250 477 V C 2.181 178.240 176.094 -0.059 0.000 1.060 477 V CA 1.630 63.907 62.300 -0.037 0.000 1.042 477 V CB -0.547 31.272 31.823 -0.006 0.000 0.650 477 V HN 0.337 nan 8.190 nan 0.000 0.450 478 L N -0.272 120.920 121.223 -0.051 0.000 1.994 478 L HA -0.169 4.380 4.340 0.348 0.000 0.208 478 L C 2.747 179.506 176.870 -0.186 0.000 1.071 478 L CA 1.718 56.508 54.840 -0.084 0.000 0.745 478 L CB -0.896 41.134 42.059 -0.048 0.000 0.892 478 L HN 0.346 nan 8.230 nan 0.000 0.431 479 A N 0.206 122.845 122.820 -0.301 0.000 1.852 479 A HA -0.328 4.200 4.320 0.348 0.000 0.217 479 A C 2.248 179.632 177.584 -0.334 0.000 1.215 479 A CA 2.396 54.138 52.037 -0.491 0.000 0.641 479 A CB -0.775 17.856 19.000 -0.616 0.000 0.838 479 A HN 0.327 nan 8.150 nan 0.000 0.450 480 K N -1.555 118.684 120.400 -0.267 0.000 2.148 480 K HA -0.221 4.308 4.320 0.348 0.000 0.213 480 K C 1.802 178.319 176.600 -0.139 0.000 1.050 480 K CA 2.215 58.376 56.287 -0.210 0.000 0.932 480 K CB -0.496 31.919 32.500 -0.141 0.000 0.717 480 K HN 0.571 nan 8.250 nan 0.000 0.462 481 T N -1.357 113.127 114.554 -0.117 0.000 3.100 481 T HA 0.119 4.678 4.350 0.348 0.000 0.253 481 T C 0.783 175.439 174.700 -0.073 0.000 1.118 481 T CA 0.745 62.800 62.100 -0.074 0.000 1.058 481 T CB 0.607 69.442 68.868 -0.055 0.000 0.953 481 T HN 0.544 nan 8.240 nan 0.000 0.515 482 G N 2.230 110.963 108.800 -0.112 0.000 2.167 482 G HA2 -0.181 3.988 3.960 0.348 0.000 0.194 482 G HA3 -0.181 3.988 3.960 0.348 0.000 0.194 482 G C 0.264 175.115 174.900 -0.082 0.000 1.027 482 G CA -0.290 44.751 45.100 -0.098 0.000 0.717 482 G HN 0.504 nan 8.290 nan 0.000 0.501 483 N N -0.007 118.628 118.700 -0.108 0.000 2.238 483 N HA 0.169 5.118 4.740 0.348 0.000 0.235 483 N C 0.774 176.244 175.510 -0.067 0.000 1.209 483 N CA -0.318 52.701 53.050 -0.052 0.000 0.879 483 N CB 0.856 39.319 38.487 -0.039 0.000 1.136 483 N HN 0.474 nan 8.380 nan 0.000 0.517 484 I N 2.949 123.387 120.570 -0.219 0.000 2.752 484 I HA -0.216 4.162 4.170 0.348 0.000 0.126 484 I C -1.381 174.734 176.117 -0.003 0.000 0.884 484 I CA -0.019 61.097 61.300 -0.306 0.000 2.786 484 I CB 0.078 37.971 38.000 -0.179 0.000 0.573 484 I HN 0.079 nan 8.210 nan 0.000 0.352 485 P HA -0.055 nan 4.420 nan 0.000 0.242 485 P C -0.602 176.932 177.300 0.390 0.000 1.197 485 P CA 1.013 64.172 63.100 0.099 0.000 0.765 485 P CB -0.010 31.750 31.700 0.099 0.000 0.936 486 Y N -3.733 116.886 120.300 0.531 0.000 2.721 486 Y HA 0.522 5.281 4.550 0.348 0.000 0.357 486 Y C -1.145 175.060 175.900 0.509 0.000 1.183 486 Y CA -1.599 56.863 58.100 0.603 0.000 1.231 486 Y CB 0.263 39.042 38.460 0.531 0.000 1.390 486 Y HN -0.379 nan 8.280 nan 0.000 0.488 487 K N 1.925 122.673 120.400 0.581 0.000 2.295 487 K HA 0.711 5.240 4.320 0.348 0.000 0.239 487 K C -1.249 175.509 176.600 0.263 0.000 0.991 487 K CA -1.092 55.345 56.287 0.250 0.000 0.845 487 K CB 2.374 34.828 32.500 -0.076 0.000 1.197 487 K HN 0.658 nan 8.250 nan 0.000 0.441 488 L N 2.110 123.423 121.223 0.150 0.000 2.371 488 L HA 0.150 4.698 4.340 0.348 0.000 0.272 488 L C 1.622 178.541 176.870 0.082 0.000 1.124 488 L CA 0.181 55.078 54.840 0.095 0.000 0.816 488 L CB 0.743 42.829 42.059 0.045 0.000 1.129 488 L HN 0.664 nan 8.230 nan 0.000 0.448 489 K N 1.798 122.237 120.400 0.066 0.000 2.026 489 K HA -0.097 4.432 4.320 0.348 0.000 0.208 489 K C -0.252 176.378 176.600 0.050 0.000 1.048 489 K CA 1.486 57.808 56.287 0.057 0.000 0.929 489 K CB 0.307 32.828 32.500 0.035 0.000 0.713 489 K HN 0.767 nan 8.250 nan 0.000 0.439 490 E N -0.959 119.266 120.200 0.042 0.000 2.388 490 E HA 0.312 4.871 4.350 0.348 0.000 0.281 490 E C -1.250 175.376 176.600 0.043 0.000 1.046 490 E CA -0.734 55.694 56.400 0.047 0.000 0.825 490 E CB 1.023 30.745 29.700 0.038 0.000 1.243 490 E HN -0.003 nan 8.360 nan 0.000 0.438 491 I N 0.984 121.592 120.570 0.063 0.000 2.509 491 I HA 0.287 4.666 4.170 0.348 0.000 0.293 491 I C 0.049 176.218 176.117 0.088 0.000 1.020 491 I CA -1.015 60.322 61.300 0.060 0.000 1.088 491 I CB 1.919 39.946 38.000 0.045 0.000 1.267 491 I HN 0.493 nan 8.210 nan 0.000 0.430 492 E N 3.473 123.716 120.200 0.071 0.000 2.442 492 E HA 0.357 4.916 4.350 0.348 0.000 0.262 492 E C 0.464 177.114 176.600 0.085 0.000 1.004 492 E CA 0.920 57.358 56.400 0.063 0.000 0.928 492 E CB 0.552 30.278 29.700 0.043 0.000 0.937 492 E HN 0.901 nan 8.360 nan 0.000 0.446 493 G N 2.360 111.194 108.800 0.057 0.000 2.566 493 G HA2 -0.213 3.955 3.960 0.348 0.000 0.599 493 G HA3 -0.213 3.955 3.960 0.348 0.000 0.599 493 G C -0.700 174.225 174.900 0.041 0.000 1.292 493 G CA -0.654 44.473 45.100 0.045 0.000 0.922 493 G HN 0.468 nan 8.290 nan 0.000 0.514 494 K N 0.076 120.485 120.400 0.014 0.000 3.205 494 K HA 0.481 5.010 4.320 0.348 0.000 0.202 494 K C 0.387 176.967 176.600 -0.034 0.000 1.160 494 K CA -0.435 55.858 56.287 0.009 0.000 0.995 494 K CB 1.247 33.755 32.500 0.013 0.000 1.041 494 K HN 0.485 nan 8.250 nan 0.000 0.507 495 V N 1.253 121.121 119.914 -0.077 0.000 2.843 495 V HA -0.043 4.286 4.120 0.348 0.000 0.305 495 V C 0.727 176.713 176.094 -0.180 0.000 1.065 495 V CA 0.409 62.556 62.300 -0.255 0.000 1.116 495 V CB 0.861 32.333 31.823 -0.584 0.000 0.968 495 V HN 0.433 nan 8.190 nan 0.000 0.487 496 D N 1.216 121.487 120.400 -0.215 0.000 2.454 496 D HA 0.408 5.256 4.640 0.348 0.000 0.219 496 D C 0.401 176.688 176.300 -0.022 0.000 1.081 496 D CA 0.805 54.794 54.000 -0.018 0.000 0.867 496 D CB 1.022 41.882 40.800 0.099 0.000 1.054 496 D HN 0.683 nan 8.370 nan 0.000 0.500 497 A N 0.020 122.573 122.820 -0.445 0.000 2.549 497 A HA 0.665 5.194 4.320 0.348 0.000 0.297 497 A C -1.760 175.432 177.584 -0.652 0.000 1.061 497 A CA -0.593 51.129 52.037 -0.526 0.000 0.690 497 A CB 1.184 19.530 19.000 -1.090 0.000 1.287 497 A HN -0.038 nan 8.150 nan 0.000 0.402 498 F N 1.130 120.985 119.950 -0.159 0.000 2.499 498 F HA 0.528 5.260 4.527 0.342 0.000 0.333 498 F C -0.188 175.534 175.800 -0.130 0.000 1.138 498 F CA -0.563 57.315 58.000 -0.204 0.000 0.945 498 F CB 2.488 41.387 39.000 -0.168 0.000 1.181 498 F HN 0.295 nan 8.300 nan 0.000 0.435 499 V N 3.188 123.035 119.914 -0.111 0.000 2.334 499 V HA 0.562 4.891 4.120 0.348 0.000 0.281 499 V C 0.380 176.437 176.094 -0.061 0.000 1.016 499 V CA -0.852 61.399 62.300 -0.081 0.000 0.832 499 V CB 1.325 33.037 31.823 -0.185 0.000 0.999 499 V HN 0.861 nan 8.190 nan 0.000 0.439 500 G N 4.410 113.231 108.800 0.035 0.000 2.390 500 G HA2 0.620 4.788 3.960 0.348 0.000 0.270 500 G HA3 0.620 4.788 3.960 0.348 0.000 0.270 500 G C -0.879 174.015 174.900 -0.009 0.000 1.211 500 G CA -0.226 44.891 45.100 0.028 0.000 0.842 500 G HN 0.607 nan 8.290 nan 0.000 0.519 501 I N 1.526 122.116 120.570 0.032 0.000 2.447 501 I HA 0.321 4.699 4.170 0.348 0.000 0.287 501 I C -1.152 175.018 176.117 0.088 0.000 1.023 501 I CA -0.430 60.912 61.300 0.070 0.000 1.083 501 I CB 2.403 40.488 38.000 0.141 0.000 1.245 501 I HN 0.452 nan 8.210 nan 0.000 0.434 502 D N 6.630 127.094 120.400 0.105 0.000 2.879 502 D HA 0.700 5.548 4.640 0.348 0.000 0.236 502 D C -1.313 175.094 176.300 0.179 0.000 1.171 502 D CA -0.206 53.880 54.000 0.143 0.000 0.868 502 D CB 1.939 42.832 40.800 0.154 0.000 1.598 502 D HN 0.245 nan 8.370 nan 0.000 0.497 503 I N 1.803 122.469 120.570 0.161 0.000 2.571 503 I HA 0.393 4.772 4.170 0.348 0.000 0.289 503 I C -0.702 175.495 176.117 0.134 0.000 1.115 503 I CA -0.573 60.825 61.300 0.162 0.000 1.045 503 I CB 2.196 40.290 38.000 0.157 0.000 1.238 503 I HN 0.191 nan 8.210 nan 0.000 0.424 504 S N 5.122 120.896 115.700 0.124 0.000 2.566 504 S HA 0.775 5.454 4.470 0.348 0.000 0.298 504 S C -0.803 173.857 174.600 0.100 0.000 1.083 504 S CA -0.994 57.265 58.200 0.098 0.000 0.978 504 S CB 2.060 65.305 63.200 0.074 0.000 1.073 504 S HN 0.681 nan 8.310 nan 0.000 0.491 505 R N 0.881 121.431 120.500 0.084 0.000 2.515 505 R HA 0.570 5.119 4.340 0.348 0.000 0.291 505 R C -1.262 175.077 176.300 0.065 0.000 1.046 505 R CA -0.629 55.521 56.100 0.083 0.000 0.914 505 R CB 0.538 30.887 30.300 0.082 0.000 1.191 505 R HN 0.484 nan 8.270 nan 0.000 0.435 506 I N 1.975 122.582 120.570 0.062 0.000 2.938 506 I HA 0.084 4.462 4.170 0.348 0.000 0.285 506 I C 0.048 176.193 176.117 0.046 0.000 1.182 506 I CA 0.779 62.109 61.300 0.050 0.000 1.388 506 I CB 1.129 39.156 38.000 0.046 0.000 1.390 506 I HN 0.672 nan 8.210 nan 0.000 0.600 507 T N 5.339 119.917 114.554 0.040 0.000 2.933 507 T HA 0.555 5.113 4.350 0.348 0.000 0.305 507 T C -0.615 174.104 174.700 0.032 0.000 1.092 507 T CA -0.893 61.228 62.100 0.035 0.000 1.008 507 T CB 1.761 70.649 68.868 0.033 0.000 1.102 507 T HN 0.462 nan 8.240 nan 0.000 0.469 508 R N 1.302 121.818 120.500 0.027 0.000 2.795 508 R HA 0.501 5.049 4.340 0.348 0.000 0.275 508 R C -0.159 176.154 176.300 0.021 0.000 0.981 508 R CA -0.809 55.306 56.100 0.025 0.000 0.917 508 R CB 1.660 31.974 30.300 0.023 0.000 1.202 508 R HN 0.776 nan 8.270 nan 0.000 0.469 509 D N 0.513 120.926 120.400 0.022 0.000 4.595 509 D HA -0.264 4.584 4.640 0.348 0.000 0.264 509 D C 0.738 177.047 176.300 0.014 0.000 0.517 509 D CA 2.482 56.492 54.000 0.018 0.000 1.451 509 D CB -0.885 39.923 40.800 0.014 0.000 0.886 509 D HN 0.823 nan 8.370 nan 0.000 0.361 510 G N 0.576 109.384 108.800 0.013 0.000 5.528 510 G HA2 0.414 4.582 3.960 0.348 0.000 0.194 510 G HA3 0.414 4.582 3.960 0.348 0.000 0.194 510 G C -0.579 174.328 174.900 0.011 0.000 0.679 510 G CA -0.379 44.727 45.100 0.010 0.000 0.640 510 G HN 0.267 nan 8.290 nan 0.000 0.397 511 K N 0.433 120.843 120.400 0.015 0.000 2.427 511 K HA 0.496 5.025 4.320 0.348 0.000 0.252 511 K C -0.651 175.964 176.600 0.025 0.000 0.931 511 K CA -0.816 55.482 56.287 0.018 0.000 0.793 511 K CB 2.334 34.843 32.500 0.016 0.000 1.211 511 K HN 0.001 nan 8.250 nan 0.000 0.426 512 T N 2.226 116.799 114.554 0.031 0.000 2.793 512 T HA 0.033 4.591 4.350 0.348 0.000 0.289 512 T C 1.033 175.761 174.700 0.047 0.000 0.956 512 T CA -0.039 62.088 62.100 0.046 0.000 1.177 512 T CB 0.262 69.166 68.868 0.059 0.000 0.897 512 T HN 0.310 nan 8.240 nan 0.000 0.533 513 V N 3.597 123.539 119.914 0.046 0.000 2.785 513 V HA 0.184 4.512 4.120 0.348 0.000 0.226 513 V C 1.198 177.323 176.094 0.052 0.000 1.127 513 V CA 0.025 62.347 62.300 0.036 0.000 1.193 513 V CB -0.212 31.628 31.823 0.027 0.000 0.926 513 V HN 0.665 nan 8.190 nan 0.000 0.507 514 N N 0.422 119.159 118.700 0.061 0.000 2.458 514 N HA 0.599 5.548 4.740 0.348 0.000 0.271 514 N C -0.781 174.797 175.510 0.114 0.000 1.210 514 N CA 0.440 53.537 53.050 0.078 0.000 0.978 514 N CB 1.519 40.040 38.487 0.057 0.000 1.206 514 N HN 0.564 nan 8.380 nan 0.000 0.536 515 A N 0.500 123.411 122.820 0.152 0.000 2.565 515 A HA 0.496 5.025 4.320 0.348 0.000 0.298 515 A C -1.739 175.970 177.584 0.207 0.000 1.062 515 A CA -0.651 51.500 52.037 0.188 0.000 0.723 515 A CB 0.574 19.719 19.000 0.243 0.000 1.282 515 A HN 0.318 nan 8.150 nan 0.000 0.400 516 V N 1.156 121.169 119.914 0.166 0.000 2.487 516 V HA 0.809 5.137 4.120 0.348 0.000 0.298 516 V C 0.485 176.694 176.094 0.191 0.000 1.028 516 V CA -0.139 62.243 62.300 0.137 0.000 0.860 516 V CB 1.359 33.218 31.823 0.060 0.000 0.991 516 V HN 1.575 nan 8.190 nan 0.000 0.427 517 A N 4.402 127.362 122.820 0.233 0.000 2.340 517 A HA 0.941 5.470 4.320 0.348 0.000 0.331 517 A C -1.326 176.461 177.584 0.338 0.000 1.140 517 A CA -0.442 51.773 52.037 0.295 0.000 0.801 517 A CB 1.376 20.621 19.000 0.409 0.000 1.234 517 A HN 0.819 nan 8.150 nan 0.000 0.469 518 F N 1.346 121.359 119.950 0.104 0.000 2.653 518 F HA 0.577 5.280 4.527 0.293 0.000 0.327 518 F C -0.655 175.191 175.800 0.077 0.000 1.195 518 F CA -0.297 57.746 58.000 0.071 0.000 0.993 518 F CB 1.879 40.873 39.000 -0.010 0.000 1.259 518 F HN 0.493 nan 8.300 nan 0.000 0.478 519 T N 5.779 120.260 114.554 -0.122 0.000 2.861 519 T HA 0.608 5.166 4.350 0.348 0.000 0.287 519 T C -1.210 173.358 174.700 -0.219 0.000 1.003 519 T CA -0.916 61.114 62.100 -0.118 0.000 0.977 519 T CB 2.002 70.922 68.868 0.085 0.000 0.996 519 T HN 0.456 nan 8.240 nan 0.000 0.448 520 K N 2.593 122.878 120.400 -0.192 0.000 2.541 520 K HA 0.545 5.074 4.320 0.348 0.000 0.250 520 K C -1.181 175.429 176.600 0.015 0.000 0.950 520 K CA -0.574 55.631 56.287 -0.136 0.000 0.805 520 K CB 2.130 34.500 32.500 -0.216 0.000 1.166 520 K HN 0.461 nan 8.250 nan 0.000 0.430 521 I N 3.480 124.035 120.570 -0.026 0.000 2.336 521 I HA 0.363 4.742 4.170 0.348 0.000 0.292 521 I C -0.757 175.326 176.117 -0.058 0.000 0.991 521 I CA -0.650 60.670 61.300 0.034 0.000 1.227 521 I CB 0.512 38.553 38.000 0.067 0.000 1.366 521 I HN 0.381 nan 8.210 nan 0.000 0.466 522 F N 4.576 124.591 119.950 0.108 0.000 2.522 522 F HA 0.369 5.101 4.527 0.341 0.000 0.324 522 F C 0.566 176.493 175.800 0.211 0.000 1.077 522 F CA -0.898 57.200 58.000 0.163 0.000 0.944 522 F CB 1.138 40.240 39.000 0.170 0.000 1.175 522 F HN 0.507 nan 8.300 nan 0.000 0.468 523 N N -0.332 118.603 118.700 0.392 0.000 2.294 523 N HA 0.009 4.958 4.740 0.348 0.000 0.248 523 N C 1.026 176.753 175.510 0.360 0.000 1.300 523 N CA 0.281 53.537 53.050 0.343 0.000 0.925 523 N CB 0.057 38.674 38.487 0.217 0.000 1.188 523 N HN 0.564 nan 8.380 nan 0.000 0.512 524 S N -1.234 114.629 115.700 0.272 0.000 2.447 524 S HA -0.072 4.607 4.470 0.348 0.000 0.233 524 S C 1.241 175.997 174.600 0.261 0.000 1.006 524 S CA 0.694 59.054 58.200 0.266 0.000 0.957 524 S CB -0.354 62.940 63.200 0.158 0.000 0.773 524 S HN 0.613 nan 8.310 nan 0.000 0.507 525 K N 0.269 120.783 120.400 0.191 0.000 2.400 525 K HA 0.217 4.746 4.320 0.348 0.000 0.194 525 K C 1.134 177.808 176.600 0.125 0.000 1.033 525 K CA 0.447 56.812 56.287 0.130 0.000 1.021 525 K CB -0.141 32.412 32.500 0.088 0.000 0.808 525 K HN 0.572 nan 8.250 nan 0.000 0.505 526 G N 2.277 111.201 108.800 0.206 0.000 2.137 526 G HA2 -0.258 3.910 3.960 0.348 0.000 0.237 526 G HA3 -0.258 3.910 3.960 0.348 0.000 0.237 526 G C -0.542 174.584 174.900 0.375 0.000 1.002 526 G CA 0.011 45.242 45.100 0.218 0.000 0.702 526 G HN 0.362 nan 8.290 nan 0.000 0.515 527 E N -0.737 119.632 120.200 0.282 0.000 2.383 527 E HA 0.479 5.038 4.350 0.348 0.000 0.264 527 E C 0.690 177.431 176.600 0.235 0.000 1.050 527 E CA -0.548 55.985 56.400 0.221 0.000 0.896 527 E CB 1.197 30.938 29.700 0.067 0.000 0.982 527 E HN 0.473 nan 8.360 nan 0.000 0.424 528 L N 2.873 124.105 121.223 0.015 0.000 2.349 528 L HA 0.113 4.662 4.340 0.348 0.000 0.275 528 L C 0.064 176.829 176.870 -0.174 0.000 1.115 528 L CA 0.001 54.592 54.840 -0.415 0.000 0.820 528 L CB 1.060 42.825 42.059 -0.490 0.000 1.135 528 L HN 0.477 nan 8.230 nan 0.000 0.445 529 V N 3.814 123.632 119.914 -0.161 0.000 2.806 529 V HA 0.393 4.722 4.120 0.348 0.000 0.239 529 V C 0.982 177.020 176.094 -0.092 0.000 1.113 529 V CA 0.308 62.576 62.300 -0.053 0.000 1.137 529 V CB -0.146 31.714 31.823 0.062 0.000 0.865 529 V HN 0.827 nan 8.190 nan 0.000 0.482 530 R N -1.297 119.120 120.500 -0.137 0.000 2.690 530 R HA 0.413 4.962 4.340 0.348 0.000 0.269 530 R C -1.913 174.205 176.300 -0.303 0.000 1.037 530 R CA -0.574 55.354 56.100 -0.287 0.000 0.877 530 R CB 2.367 32.438 30.300 -0.383 0.000 1.255 530 R HN 0.321 nan 8.270 nan 0.000 0.467 531 Y N -0.713 119.362 120.300 -0.375 0.000 2.587 531 Y HA 0.731 5.480 4.550 0.332 0.000 0.337 531 Y C -1.372 174.195 175.900 -0.556 0.000 1.065 531 Y CA -1.198 56.731 58.100 -0.285 0.000 1.126 531 Y CB 1.066 39.541 38.460 0.024 0.000 1.279 531 Y HN 0.434 nan 8.280 nan 0.000 0.489 532 Y N 2.214 122.708 120.300 0.323 0.000 2.354 532 Y HA 0.464 5.215 4.550 0.335 0.000 0.330 532 Y C -1.282 174.886 175.900 0.447 0.000 1.011 532 Y CA -0.988 57.278 58.100 0.277 0.000 1.099 532 Y CB 1.943 40.472 38.460 0.114 0.000 1.179 532 Y HN 0.657 nan 8.280 nan 0.000 0.442 533 L N 4.377 125.941 121.223 0.568 0.000 2.321 533 L HA 0.597 5.146 4.340 0.348 0.000 0.272 533 L C -0.560 176.437 176.870 0.212 0.000 1.050 533 L CA 0.046 55.135 54.840 0.415 0.000 0.893 533 L CB 0.189 42.421 42.059 0.288 0.000 1.272 533 L HN 0.626 nan 8.230 nan 0.000 0.435 534 T N 1.990 116.636 114.554 0.153 0.000 2.856 534 T HA 0.673 5.232 4.350 0.348 0.000 0.283 534 T C -0.308 174.293 174.700 -0.165 0.000 1.008 534 T CA -0.651 61.421 62.100 -0.047 0.000 0.997 534 T CB 1.600 70.381 68.868 -0.145 0.000 0.992 534 T HN 0.568 nan 8.240 nan 0.000 0.454 535 S N 1.593 117.146 115.700 -0.244 0.000 2.537 535 S HA 0.776 5.454 4.470 0.348 0.000 0.301 535 S C -1.417 172.971 174.600 -0.354 0.000 1.092 535 S CA -0.866 57.219 58.200 -0.192 0.000 1.048 535 S CB 0.766 63.937 63.200 -0.049 0.000 1.053 535 S HN 0.596 nan 8.310 nan 0.000 0.501 536 Y N 1.018 121.398 120.300 0.133 0.000 2.468 536 Y HA 0.665 5.273 4.550 0.097 0.000 0.342 536 Y C -2.265 173.729 175.900 0.158 0.000 1.021 536 Y CA -2.139 56.087 58.100 0.210 0.000 1.079 536 Y CB 1.569 40.209 38.460 0.300 0.000 1.226 536 Y HN 0.522 nan 8.280 nan 0.000 0.460 537 P HA 0.352 nan 4.420 nan 0.000 0.310 537 P C -1.094 176.172 177.300 -0.056 0.000 1.309 537 P CA -0.831 62.300 63.100 0.052 0.000 0.769 537 P CB 0.542 32.211 31.700 -0.051 0.000 1.327 538 A N -0.177 122.547 122.820 -0.159 0.000 2.545 538 A HA 0.351 4.880 4.320 0.348 0.000 0.253 538 A C -0.693 176.637 177.584 -0.422 0.000 1.074 538 A CA 0.583 52.524 52.037 -0.160 0.000 0.760 538 A CB -1.491 17.444 19.000 -0.109 0.000 1.005 538 A HN 0.329 nan 8.150 nan 0.000 0.506 539 F N 1.850 121.815 119.950 0.024 0.000 2.539 539 F HA 0.514 5.251 4.527 0.351 0.000 0.318 539 F C 1.249 177.048 175.800 -0.002 0.000 1.135 539 F CA 0.003 58.007 58.000 0.006 0.000 0.915 539 F CB 1.975 40.965 39.000 -0.016 0.000 1.176 539 F HN 0.703 nan 8.300 nan 0.000 0.440 540 G N 1.464 110.356 108.800 0.154 0.000 2.630 540 G HA2 -0.080 4.089 3.960 0.348 0.000 0.195 540 G HA3 -0.080 4.089 3.960 0.348 0.000 0.195 540 G C 0.885 175.835 174.900 0.084 0.000 1.493 540 G CA 0.172 45.325 45.100 0.088 0.000 0.890 540 G HN 0.684 nan 8.290 nan 0.000 0.475 541 E N 0.268 120.507 120.200 0.065 0.000 2.511 541 E HA 0.024 4.583 4.350 0.348 0.000 0.196 541 E C 1.988 178.607 176.600 0.031 0.000 1.066 541 E CA 0.209 56.633 56.400 0.040 0.000 0.871 541 E CB 0.158 29.875 29.700 0.030 0.000 0.863 541 E HN 0.380 nan 8.360 nan 0.000 0.520 542 K N 0.167 120.602 120.400 0.059 0.000 2.367 542 K HA 0.035 4.564 4.320 0.348 0.000 0.194 542 K C 1.784 178.307 176.600 -0.128 0.000 1.027 542 K CA -0.135 56.150 56.287 -0.004 0.000 1.075 542 K CB 0.269 32.796 32.500 0.045 0.000 0.845 542 K HN -0.005 nan 8.250 nan 0.000 0.529 543 L N 1.514 122.698 121.223 -0.066 0.000 2.043 543 L HA -0.207 4.341 4.340 0.348 0.000 0.212 543 L C 1.914 178.616 176.870 -0.280 0.000 1.075 543 L CA 2.009 56.722 54.840 -0.212 0.000 0.752 543 L CB -0.740 41.290 42.059 -0.049 0.000 0.891 543 L HN 0.045 nan 8.230 nan 0.000 0.432 544 T N -0.426 114.041 114.554 -0.146 0.000 2.701 544 T HA -0.163 4.396 4.350 0.348 0.000 0.263 544 T C 1.676 176.285 174.700 -0.152 0.000 1.040 544 T CA 1.649 63.680 62.100 -0.114 0.000 1.147 544 T CB -0.221 68.631 68.868 -0.026 0.000 0.865 544 T HN 0.477 nan 8.240 nan 0.000 0.426 545 E N 0.982 121.118 120.200 -0.107 0.000 2.065 545 E HA -0.205 4.354 4.350 0.348 0.000 0.201 545 E C 2.360 178.849 176.600 -0.185 0.000 1.016 545 E CA 1.103 57.472 56.400 -0.052 0.000 0.818 545 E CB -0.158 29.542 29.700 -0.001 0.000 0.749 545 E HN 0.361 nan 8.360 nan 0.000 0.453 546 K N 0.476 120.694 120.400 -0.304 0.000 1.969 546 K HA -0.178 4.350 4.320 0.348 0.000 0.216 546 K C 2.266 178.620 176.600 -0.411 0.000 1.048 546 K CA 1.307 57.347 56.287 -0.412 0.000 0.948 546 K CB -0.303 31.762 32.500 -0.726 0.000 0.726 546 K HN 0.082 nan 8.250 nan 0.000 0.442 547 A N 1.345 123.840 122.820 -0.541 0.000 1.986 547 A HA -0.188 4.341 4.320 0.348 0.000 0.220 547 A C 2.125 179.559 177.584 -0.251 0.000 1.171 547 A CA 1.623 53.413 52.037 -0.413 0.000 0.640 547 A CB -0.634 18.070 19.000 -0.493 0.000 0.811 547 A HN 0.371 nan 8.150 nan 0.000 0.451 548 I N -0.707 119.669 120.570 -0.324 0.000 2.163 548 I HA -0.165 4.213 4.170 0.348 0.000 0.240 548 I C 2.798 178.628 176.117 -0.478 0.000 1.081 548 I CA 1.058 62.118 61.300 -0.400 0.000 1.353 548 I CB -0.926 36.747 38.000 -0.546 0.000 1.054 548 I HN 0.390 nan 8.210 nan 0.000 0.407 549 G N 0.819 109.095 108.800 -0.874 0.000 2.513 549 G HA2 -0.328 3.840 3.960 0.348 0.000 0.219 549 G HA3 -0.328 3.840 3.960 0.348 0.000 0.219 549 G C 1.185 175.859 174.900 -0.376 0.000 1.160 549 G CA 1.389 45.878 45.100 -1.018 0.000 0.767 549 G HN 0.301 nan 8.290 nan 0.000 0.571 550 D N -0.134 120.122 120.400 -0.240 0.000 2.203 550 D HA -0.112 4.737 4.640 0.348 0.000 0.199 550 D C 2.636 178.844 176.300 -0.153 0.000 0.997 550 D CA 0.838 54.767 54.000 -0.119 0.000 0.863 550 D CB -0.306 40.491 40.800 -0.004 0.000 0.928 550 D HN 0.256 nan 8.370 nan 0.000 0.458 551 V N -0.073 119.751 119.914 -0.150 0.000 2.453 551 V HA -0.168 4.160 4.120 0.348 0.000 0.247 551 V C 1.953 177.882 176.094 -0.275 0.000 1.048 551 V CA 1.010 63.195 62.300 -0.191 0.000 1.049 551 V CB -0.444 31.305 31.823 -0.123 0.000 0.672 551 V HN 0.082 nan 8.190 nan 0.000 0.457 552 F N 1.449 121.141 119.950 -0.429 0.000 2.102 552 F HA -0.197 4.529 4.527 0.330 0.000 0.298 552 F C 2.874 178.286 175.800 -0.647 0.000 1.105 552 F CA 1.845 59.460 58.000 -0.643 0.000 1.239 552 F CB -0.937 37.439 39.000 -1.040 0.000 0.991 552 F HN 0.262 nan 8.300 nan 0.000 0.474 553 S N 0.585 116.163 115.700 -0.205 0.000 2.348 553 S HA -0.220 4.458 4.470 0.348 0.000 0.221 553 S C 2.128 176.746 174.600 0.029 0.000 1.033 553 S CA 1.335 59.593 58.200 0.097 0.000 1.010 553 S CB -1.208 62.083 63.200 0.151 0.000 0.891 553 S HN 0.389 nan 8.310 nan 0.000 0.442 554 L N 0.763 121.918 121.223 -0.113 0.000 2.103 554 L HA -0.165 4.384 4.340 0.348 0.000 0.215 554 L C 2.736 179.576 176.870 -0.050 0.000 1.080 554 L CA 1.506 56.233 54.840 -0.188 0.000 0.764 554 L CB -0.675 41.063 42.059 -0.535 0.000 0.890 554 L HN 0.364 nan 8.230 nan 0.000 0.435 555 L N -0.630 120.554 121.223 -0.066 0.000 2.027 555 L HA -0.232 4.316 4.340 0.348 0.000 0.206 555 L C 2.611 179.625 176.870 0.239 0.000 1.074 555 L CA 1.380 56.235 54.840 0.025 0.000 0.745 555 L CB -0.401 41.523 42.059 -0.225 0.000 0.898 555 L HN 0.297 nan 8.230 nan 0.000 0.433 556 E N 0.420 120.793 120.200 0.288 0.000 2.160 556 E HA -0.258 4.301 4.350 0.348 0.000 0.195 556 E C 2.009 178.745 176.600 0.227 0.000 0.991 556 E CA 1.245 57.858 56.400 0.355 0.000 0.810 556 E CB 0.159 30.136 29.700 0.462 0.000 0.742 556 E HN 0.373 nan 8.360 nan 0.000 0.466 557 K N -0.223 120.278 120.400 0.169 0.000 2.288 557 K HA -0.055 4.473 4.320 0.348 0.000 0.201 557 K C 1.679 178.348 176.600 0.116 0.000 1.048 557 K CA 0.640 57.000 56.287 0.121 0.000 0.956 557 K CB 0.128 32.681 32.500 0.088 0.000 0.746 557 K HN 0.203 nan 8.250 nan 0.000 0.461 558 L N -0.070 121.243 121.223 0.149 0.000 2.592 558 L HA 0.173 4.721 4.340 0.348 0.000 0.227 558 L C 0.645 177.540 176.870 0.042 0.000 1.127 558 L CA -0.140 54.767 54.840 0.111 0.000 0.884 558 L CB 0.100 42.277 42.059 0.198 0.000 1.065 558 L HN 0.201 nan 8.230 nan 0.000 0.457 559 G N 0.772 109.643 108.800 0.119 0.000 2.363 559 G HA2 -0.315 3.853 3.960 0.348 0.000 0.286 559 G HA3 -0.315 3.853 3.960 0.348 0.000 0.286 559 G C -0.191 174.749 174.900 0.067 0.000 0.975 559 G CA -0.245 44.922 45.100 0.112 0.000 1.309 559 G HN 0.133 nan 8.290 nan 0.000 0.491 560 F N 0.973 120.985 119.950 0.103 0.000 2.445 560 F HA 0.333 5.071 4.527 0.351 0.000 0.359 560 F C 1.395 177.324 175.800 0.215 0.000 1.101 560 F CA -0.104 57.939 58.000 0.073 0.000 1.177 560 F CB 0.896 39.841 39.000 -0.091 0.000 1.110 560 F HN 0.124 nan 8.300 nan 0.000 0.522 561 K N 4.276 124.847 120.400 0.285 0.000 2.414 561 K HA 0.066 4.594 4.320 0.348 0.000 0.272 561 K C 0.243 177.057 176.600 0.357 0.000 0.993 561 K CA -0.313 56.126 56.287 0.255 0.000 0.964 561 K CB 0.561 33.144 32.500 0.138 0.000 0.925 561 K HN 0.544 nan 8.250 nan 0.000 0.487 562 K N 0.304 120.854 120.400 0.250 0.000 2.542 562 K HA -0.105 4.423 4.320 0.348 0.000 0.276 562 K C 1.046 177.767 176.600 0.202 0.000 0.963 562 K CA 0.911 57.303 56.287 0.175 0.000 0.975 562 K CB 0.035 32.564 32.500 0.049 0.000 0.901 562 K HN 0.913 nan 8.250 nan 0.000 0.506 563 G N 0.889 109.813 108.800 0.207 0.000 2.168 563 G HA2 -0.323 3.845 3.960 0.348 0.000 0.263 563 G HA3 -0.323 3.845 3.960 0.348 0.000 0.263 563 G C 0.029 175.050 174.900 0.202 0.000 0.977 563 G CA 0.584 45.792 45.100 0.179 0.000 0.659 563 G HN 0.685 nan 8.290 nan 0.000 0.533 564 S N 0.206 116.086 115.700 0.301 0.000 2.548 564 S HA 0.588 5.267 4.470 0.348 0.000 0.277 564 S C 0.275 174.909 174.600 0.056 0.000 1.315 564 S CA -0.514 57.789 58.200 0.171 0.000 1.050 564 S CB 1.688 65.005 63.200 0.196 0.000 0.918 564 S HN 0.457 nan 8.310 nan 0.000 0.497 565 K N 2.296 122.672 120.400 -0.040 0.000 2.249 565 K HA 0.446 4.974 4.320 0.348 0.000 0.280 565 K C -0.603 175.821 176.600 -0.293 0.000 1.033 565 K CA -0.186 56.032 56.287 -0.116 0.000 0.946 565 K CB 0.593 33.021 32.500 -0.119 0.000 1.005 565 K HN 0.614 nan 8.250 nan 0.000 0.469 566 I N 2.651 123.027 120.570 -0.324 0.000 2.478 566 I HA 0.158 4.537 4.170 0.348 0.000 0.287 566 I C -0.516 175.345 176.117 -0.427 0.000 1.042 566 I CA -1.210 59.798 61.300 -0.487 0.000 1.067 566 I CB 2.057 39.689 38.000 -0.613 0.000 1.233 566 I HN 0.208 nan 8.210 nan 0.000 0.431 567 V N 6.950 126.543 119.914 -0.536 0.000 2.465 567 V HA 0.359 4.688 4.120 0.348 0.000 0.279 567 V C 0.098 175.933 176.094 -0.432 0.000 1.045 567 V CA -0.612 61.424 62.300 -0.440 0.000 0.938 567 V CB 1.832 33.404 31.823 -0.419 0.000 0.986 567 V HN 0.391 nan 8.190 nan 0.000 0.467 568 V N 4.851 124.543 119.914 -0.369 0.000 2.417 568 V HA 0.469 4.797 4.120 0.348 0.000 0.291 568 V C -0.582 175.409 176.094 -0.173 0.000 1.024 568 V CA -0.654 61.448 62.300 -0.330 0.000 0.861 568 V CB 1.436 33.027 31.823 -0.387 0.000 0.985 568 V HN 0.837 nan 8.190 nan 0.000 0.436 569 H N 4.408 123.432 119.070 -0.077 0.000 2.466 569 H HA 0.616 5.379 4.556 0.345 0.000 0.338 569 H C -0.236 175.068 175.328 -0.042 0.000 1.091 569 H CA -0.624 55.388 56.048 -0.060 0.000 1.207 569 H CB 1.685 31.424 29.762 -0.037 0.000 1.466 569 H HN 0.516 nan 8.280 nan 0.000 0.493 570 R N 1.583 122.137 120.500 0.090 0.000 2.621 570 R HA 0.119 4.667 4.340 0.348 0.000 0.292 570 R C -0.795 175.533 176.300 0.046 0.000 0.969 570 R CA -0.721 55.419 56.100 0.066 0.000 0.887 570 R CB 1.283 31.618 30.300 0.059 0.000 1.180 570 R HN 0.528 nan 8.270 nan 0.000 0.450 571 D N 2.580 123.013 120.400 0.054 0.000 2.885 571 D HA 0.237 5.086 4.640 0.348 0.000 0.234 571 D C -0.566 175.762 176.300 0.047 0.000 1.129 571 D CA 0.710 54.736 54.000 0.043 0.000 0.991 571 D CB -0.127 40.705 40.800 0.054 0.000 1.137 571 D HN 0.741 nan 8.370 nan 0.000 0.459 572 G N 0.594 109.413 108.800 0.032 0.000 2.358 572 G HA2 0.046 4.215 3.960 0.348 0.000 0.301 572 G HA3 0.046 4.215 3.960 0.348 0.000 0.301 572 G C -0.920 173.969 174.900 -0.019 0.000 1.539 572 G CA -1.228 43.889 45.100 0.029 0.000 0.893 572 G HN 0.179 nan 8.290 nan 0.000 0.636 573 R N 0.128 120.581 120.500 -0.079 0.000 2.614 573 R HA 0.050 4.599 4.340 0.348 0.000 0.335 573 R C 0.198 176.254 176.300 -0.407 0.000 0.859 573 R CA 0.298 56.233 56.100 -0.275 0.000 1.123 573 R CB -0.349 29.721 30.300 -0.384 0.000 0.887 573 R HN 0.383 nan 8.270 nan 0.000 0.407 574 L N 5.641 126.703 121.223 -0.268 0.000 2.349 574 L HA 0.268 4.816 4.340 0.348 0.000 0.275 574 L C -0.251 176.440 176.870 -0.298 0.000 1.115 574 L CA -0.373 54.388 54.840 -0.133 0.000 0.820 574 L CB 0.268 42.337 42.059 0.016 0.000 1.135 574 L HN 0.392 nan 8.230 nan 0.000 0.445 575 Y N 0.741 121.102 120.300 0.102 0.000 2.480 575 Y HA 0.403 5.155 4.550 0.337 0.000 0.323 575 Y C 1.436 177.393 175.900 0.094 0.000 1.267 575 Y CA -0.887 57.265 58.100 0.087 0.000 1.336 575 Y CB 0.625 39.130 38.460 0.075 0.000 1.361 575 Y HN 0.364 nan 8.280 nan 0.000 0.518 576 R N 0.445 121.084 120.500 0.231 0.000 2.083 576 R HA -0.177 4.371 4.340 0.348 0.000 0.237 576 R C 1.540 177.923 176.300 0.138 0.000 1.137 576 R CA 1.748 57.936 56.100 0.147 0.000 0.951 576 R CB -0.549 29.820 30.300 0.115 0.000 0.851 576 R HN 0.826 nan 8.270 nan 0.000 0.434 577 D N 1.008 121.493 120.400 0.142 0.000 2.271 577 D HA -0.217 4.632 4.640 0.348 0.000 0.207 577 D C 1.241 177.617 176.300 0.126 0.000 0.983 577 D CA 1.338 55.402 54.000 0.106 0.000 0.878 577 D CB -0.136 40.715 40.800 0.084 0.000 0.920 577 D HN 0.383 nan 8.370 nan 0.000 0.479 578 E N -0.156 120.161 120.200 0.194 0.000 2.122 578 E HA -0.028 4.531 4.350 0.348 0.000 0.190 578 E C 2.396 179.213 176.600 0.363 0.000 0.977 578 E CA 0.459 57.016 56.400 0.261 0.000 0.820 578 E CB 0.309 30.210 29.700 0.335 0.000 0.770 578 E HN 0.122 nan 8.360 nan 0.000 0.462 579 V N 1.219 121.306 119.914 0.289 0.000 2.343 579 V HA -0.245 4.083 4.120 0.348 0.000 0.247 579 V C 2.289 178.487 176.094 0.174 0.000 1.051 579 V CA 1.832 64.294 62.300 0.270 0.000 1.036 579 V CB -0.740 31.171 31.823 0.147 0.000 0.654 579 V HN 0.307 nan 8.190 nan 0.000 0.451 580 A N -0.063 122.816 122.820 0.098 0.000 2.015 580 A HA 0.054 4.582 4.320 0.348 0.000 0.219 580 A C 2.385 179.975 177.584 0.009 0.000 1.163 580 A CA 1.702 53.749 52.037 0.018 0.000 0.646 580 A CB -0.563 18.440 19.000 0.005 0.000 0.806 580 A HN 0.551 nan 8.150 nan 0.000 0.448 581 A N -0.959 121.901 122.820 0.067 0.000 1.873 581 A HA 0.037 4.566 4.320 0.348 0.000 0.215 581 A C 1.904 179.516 177.584 0.047 0.000 1.186 581 A CA 1.327 53.382 52.037 0.030 0.000 0.616 581 A CB -0.715 18.294 19.000 0.016 0.000 0.823 581 A HN 0.460 nan 8.150 nan 0.000 0.442 582 F N 0.112 120.168 119.950 0.176 0.000 2.293 582 F HA -0.064 4.662 4.527 0.332 0.000 0.300 582 F C 2.276 178.184 175.800 0.179 0.000 1.086 582 F CA 1.551 59.718 58.000 0.278 0.000 1.375 582 F CB -0.014 39.229 39.000 0.405 0.000 1.045 582 F HN 0.124 nan 8.300 nan 0.000 0.516 583 K N 0.323 120.821 120.400 0.164 0.000 2.025 583 K HA -0.141 4.388 4.320 0.348 0.000 0.207 583 K C 2.023 178.587 176.600 -0.061 0.000 1.049 583 K CA 1.118 57.394 56.287 -0.019 0.000 0.933 583 K CB -0.097 32.311 32.500 -0.153 0.000 0.714 583 K HN 0.104 nan 8.250 nan 0.000 0.438 584 K N 0.031 120.326 120.400 -0.175 0.000 2.001 584 K HA -0.196 4.333 4.320 0.348 0.000 0.214 584 K C 2.171 178.533 176.600 -0.396 0.000 1.050 584 K CA 1.962 58.030 56.287 -0.365 0.000 0.934 584 K CB -0.313 31.797 32.500 -0.649 0.000 0.718 584 K HN 0.233 nan 8.250 nan 0.000 0.443 585 Y N 0.305 120.392 120.300 -0.355 0.000 2.395 585 Y HA -0.031 4.740 4.550 0.369 0.000 0.293 585 Y C 2.507 178.250 175.900 -0.261 0.000 1.123 585 Y CA 0.530 58.289 58.100 -0.567 0.000 1.227 585 Y CB -0.714 36.806 38.460 -1.566 0.000 1.012 585 Y HN 0.197 nan 8.280 nan 0.000 0.552 586 G N 0.688 109.554 108.800 0.110 0.000 2.631 586 G HA2 -0.354 3.815 3.960 0.348 0.000 0.219 586 G HA3 -0.354 3.815 3.960 0.348 0.000 0.219 586 G C 1.379 176.420 174.900 0.235 0.000 1.214 586 G CA 1.701 47.036 45.100 0.393 0.000 0.785 586 G HN 0.409 nan 8.290 nan 0.000 0.596 587 E N 0.150 120.405 120.200 0.092 0.000 2.005 587 E HA -0.103 4.456 4.350 0.348 0.000 0.198 587 E C 2.650 179.253 176.600 0.004 0.000 1.010 587 E CA 1.183 57.599 56.400 0.026 0.000 0.825 587 E CB -0.410 29.269 29.700 -0.035 0.000 0.769 587 E HN 0.373 nan 8.360 nan 0.000 0.456 588 L N -0.148 121.056 121.223 -0.030 0.000 2.197 588 L HA -0.237 4.311 4.340 0.348 0.000 0.215 588 L C 2.125 178.906 176.870 -0.147 0.000 1.095 588 L CA 1.317 56.107 54.840 -0.084 0.000 0.764 588 L CB -0.584 41.412 42.059 -0.104 0.000 0.897 588 L HN 0.244 nan 8.230 nan 0.000 0.436 589 Y N -0.363 119.890 120.300 -0.078 0.000 2.522 589 Y HA 0.248 5.013 4.550 0.359 0.000 0.277 589 Y C 1.728 177.366 175.900 -0.435 0.000 1.104 589 Y CA 0.438 58.408 58.100 -0.217 0.000 1.260 589 Y CB 0.236 38.627 38.460 -0.114 0.000 1.151 589 Y HN 0.201 nan 8.280 nan 0.000 0.539 590 G N 0.144 108.864 108.800 -0.132 0.000 2.414 590 G HA2 -0.236 3.932 3.960 0.348 0.000 0.256 590 G HA3 -0.236 3.932 3.960 0.348 0.000 0.256 590 G C -1.129 173.741 174.900 -0.049 0.000 1.128 590 G CA -0.511 44.537 45.100 -0.087 0.000 0.944 590 G HN 0.172 nan 8.290 nan 0.000 0.500 591 Y N 0.073 120.502 120.300 0.215 0.000 2.462 591 Y HA 0.664 5.420 4.550 0.344 0.000 0.346 591 Y C 0.774 176.758 175.900 0.139 0.000 0.976 591 Y CA -1.236 56.956 58.100 0.154 0.000 1.044 591 Y CB 1.976 40.518 38.460 0.138 0.000 1.230 591 Y HN 0.488 nan 8.280 nan 0.000 0.455 592 S N 3.642 119.487 115.700 0.242 0.000 2.499 592 S HA 0.598 5.276 4.470 0.348 0.000 0.275 592 S C -0.694 173.953 174.600 0.078 0.000 1.257 592 S CA -0.662 57.631 58.200 0.154 0.000 1.050 592 S CB 0.201 63.457 63.200 0.092 0.000 0.937 592 S HN 0.561 nan 8.310 nan 0.000 0.490 593 L N 2.257 123.527 121.223 0.080 0.000 2.341 593 L HA 0.532 5.081 4.340 0.348 0.000 0.278 593 L C -0.333 176.339 176.870 -0.331 0.000 1.005 593 L CA -0.516 54.292 54.840 -0.053 0.000 0.818 593 L CB 1.975 44.133 42.059 0.164 0.000 1.259 593 L HN 0.688 nan 8.230 nan 0.000 0.418 594 E N 2.573 122.556 120.200 -0.362 0.000 2.114 594 E HA 0.361 4.920 4.350 0.348 0.000 0.266 594 E C -1.103 175.233 176.600 -0.440 0.000 0.896 594 E CA -0.505 55.636 56.400 -0.432 0.000 0.750 594 E CB 1.693 31.246 29.700 -0.245 0.000 1.121 594 E HN 0.217 nan 8.360 nan 0.000 0.413 595 L N 5.092 125.956 121.223 -0.597 0.000 2.265 595 L HA 0.443 4.992 4.340 0.348 0.000 0.288 595 L C -1.419 175.336 176.870 -0.192 0.000 1.058 595 L CA -0.069 54.531 54.840 -0.400 0.000 0.809 595 L CB 0.373 42.227 42.059 -0.343 0.000 1.179 595 L HN 0.564 nan 8.230 nan 0.000 0.429 596 L N 4.743 125.907 121.223 -0.097 0.000 2.365 596 L HA 0.546 5.095 4.340 0.348 0.000 0.273 596 L C -0.397 176.457 176.870 -0.025 0.000 1.000 596 L CA -0.497 54.330 54.840 -0.021 0.000 0.819 596 L CB 2.018 44.122 42.059 0.075 0.000 1.284 596 L HN 0.592 nan 8.230 nan 0.000 0.418 597 E N 4.487 124.665 120.200 -0.036 0.000 2.187 597 E HA 0.481 5.040 4.350 0.348 0.000 0.268 597 E C -1.446 175.129 176.600 -0.040 0.000 0.896 597 E CA -0.619 55.759 56.400 -0.036 0.000 0.766 597 E CB 1.721 31.393 29.700 -0.047 0.000 1.142 597 E HN 0.511 nan 8.360 nan 0.000 0.408 598 I N 5.531 126.080 120.570 -0.037 0.000 2.382 598 I HA 0.265 4.644 4.170 0.348 0.000 0.285 598 I C -0.704 175.402 176.117 -0.018 0.000 1.007 598 I CA -0.803 60.472 61.300 -0.041 0.000 1.142 598 I CB 1.191 39.154 38.000 -0.061 0.000 1.289 598 I HN 0.533 nan 8.210 nan 0.000 0.453 599 I N 7.396 127.958 120.570 -0.013 0.000 2.304 599 I HA 0.143 4.521 4.170 0.348 0.000 0.291 599 I C 1.302 177.422 176.117 0.006 0.000 1.018 599 I CA 0.031 61.330 61.300 -0.001 0.000 1.260 599 I CB 1.217 39.217 38.000 -0.000 0.000 1.390 599 I HN 0.555 nan 8.210 nan 0.000 0.475 600 K N 5.856 126.264 120.400 0.014 0.000 2.334 600 K HA 0.254 4.783 4.320 0.348 0.000 0.195 600 K C 0.490 177.103 176.600 0.021 0.000 1.045 600 K CA 0.103 56.401 56.287 0.018 0.000 1.004 600 K CB 0.422 32.938 32.500 0.026 0.000 0.837 600 K HN 0.345 nan 8.250 nan 0.000 0.510 601 R N 1.510 122.024 120.500 0.024 0.000 2.368 601 R HA 0.238 4.787 4.340 0.348 0.000 0.302 601 R C -0.519 175.803 176.300 0.036 0.000 1.002 601 R CA -0.401 55.715 56.100 0.027 0.000 0.929 601 R CB 0.891 31.206 30.300 0.025 0.000 1.073 601 R HN 0.273 nan 8.270 nan 0.000 0.464 602 N N 1.043 119.769 118.700 0.044 0.000 2.869 602 N HA -0.168 4.781 4.740 0.348 0.000 0.249 602 N C -1.029 174.569 175.510 0.146 0.000 1.104 602 N CA 0.540 53.639 53.050 0.081 0.000 0.760 602 N CB -1.039 37.487 38.487 0.066 0.000 1.108 602 N HN 0.621 nan 8.380 nan 0.000 0.555 603 N N 1.182 119.917 118.700 0.058 0.000 2.463 603 N HA 0.411 5.360 4.740 0.348 0.000 0.270 603 N C -2.265 173.170 175.510 -0.126 0.000 1.205 603 N CA -1.025 52.005 53.050 -0.033 0.000 0.974 603 N CB 0.362 38.813 38.487 -0.059 0.000 1.197 603 N HN -0.010 nan 8.380 nan 0.000 0.504 604 P HA 0.140 nan 4.420 nan 0.000 0.269 604 P C -0.163 176.956 177.300 -0.301 0.000 1.209 604 P CA 0.218 63.032 63.100 -0.478 0.000 0.776 604 P CB 0.743 32.027 31.700 -0.692 0.000 0.876 605 R N 1.423 121.823 120.500 -0.167 0.000 2.549 605 R HA 0.517 5.066 4.340 0.348 0.000 0.267 605 R C -0.390 175.750 176.300 -0.268 0.000 1.045 605 R CA -0.484 55.505 56.100 -0.184 0.000 1.115 605 R CB 0.482 30.605 30.300 -0.295 0.000 1.121 605 R HN 0.381 nan 8.270 nan 0.000 0.543 606 F N 1.401 121.259 119.950 -0.153 0.000 2.427 606 F HA 0.361 5.096 4.527 0.347 0.000 0.346 606 F C -0.503 175.129 175.800 -0.280 0.000 1.120 606 F CA -0.458 57.475 58.000 -0.112 0.000 1.033 606 F CB 0.871 39.772 39.000 -0.165 0.000 1.126 606 F HN 0.230 nan 8.300 nan 0.000 0.462 607 F N 2.292 122.280 119.950 0.063 0.000 2.427 607 F HA 0.622 5.358 4.527 0.348 0.000 0.346 607 F C 0.224 176.021 175.800 -0.006 0.000 1.120 607 F CA -0.671 57.333 58.000 0.005 0.000 1.033 607 F CB 1.730 40.729 39.000 -0.000 0.000 1.126 607 F HN 0.340 nan 8.300 nan 0.000 0.462 608 S N 2.004 117.750 115.700 0.078 0.000 2.565 608 S HA 0.293 4.972 4.470 0.348 0.000 0.274 608 S C -0.038 174.527 174.600 -0.058 0.000 1.144 608 S CA -0.775 57.422 58.200 -0.006 0.000 0.849 608 S CB 1.065 64.186 63.200 -0.132 0.000 1.103 608 S HN 0.543 nan 8.310 nan 0.000 0.455 609 N N 1.460 120.140 118.700 -0.034 0.000 2.250 609 N HA 0.017 4.965 4.740 0.348 0.000 0.181 609 N C 0.358 175.821 175.510 -0.079 0.000 1.017 609 N CA 0.528 53.556 53.050 -0.037 0.000 0.866 609 N CB -0.288 38.201 38.487 0.003 0.000 0.985 609 N HN 0.798 nan 8.380 nan 0.000 0.429 610 E N 1.819 121.960 120.200 -0.098 0.000 2.493 610 E HA -0.083 4.476 4.350 0.348 0.000 0.255 610 E C 0.982 177.431 176.600 -0.251 0.000 0.999 610 E CA 0.168 56.500 56.400 -0.113 0.000 0.934 610 E CB 0.660 30.308 29.700 -0.086 0.000 0.940 610 E HN 0.016 nan 8.360 nan 0.000 0.473 611 K N 3.938 124.161 120.400 -0.296 0.000 2.288 611 K HA -0.045 4.484 4.320 0.348 0.000 0.201 611 K C -0.306 175.823 176.600 -0.785 0.000 1.048 611 K CA 0.548 56.478 56.287 -0.595 0.000 0.956 611 K CB 0.115 32.111 32.500 -0.840 0.000 0.746 611 K HN 0.513 nan 8.250 nan 0.000 0.461 612 F N 0.876 120.748 119.950 -0.130 0.000 2.387 612 F HA 0.261 4.996 4.527 0.347 0.000 0.332 612 F C 0.950 176.673 175.800 -0.128 0.000 1.174 612 F CA -0.489 57.456 58.000 -0.092 0.000 1.257 612 F CB 0.388 39.370 39.000 -0.030 0.000 1.569 612 F HN -0.098 nan 8.300 nan 0.000 0.554 613 I N -0.069 120.370 120.570 -0.219 0.000 2.480 613 I HA -0.111 4.268 4.170 0.348 0.000 0.251 613 I C 1.502 177.576 176.117 -0.071 0.000 1.124 613 I CA 0.293 61.326 61.300 -0.444 0.000 1.444 613 I CB -0.048 37.499 38.000 -0.755 0.000 1.098 613 I HN 0.160 nan 8.210 nan 0.000 0.428 614 K N 1.773 122.169 120.400 -0.006 0.000 2.408 614 K HA -0.241 4.288 4.320 0.348 0.000 0.253 614 K C 0.932 177.650 176.600 0.195 0.000 1.083 614 K CA 1.265 57.613 56.287 0.102 0.000 1.172 614 K CB -0.282 32.323 32.500 0.174 0.000 0.760 614 K HN 0.655 nan 8.250 nan 0.000 0.492 615 G N 3.430 112.319 108.800 0.147 0.000 2.234 615 G HA2 -0.300 3.868 3.960 0.348 0.000 0.235 615 G HA3 -0.300 3.868 3.960 0.348 0.000 0.235 615 G C -0.117 174.874 174.900 0.153 0.000 0.997 615 G CA 0.020 45.213 45.100 0.155 0.000 0.623 615 G HN 0.568 nan 8.290 nan 0.000 0.514 616 Y N 1.150 121.403 120.300 -0.077 0.000 2.702 616 Y HA 0.448 5.206 4.550 0.347 0.000 0.336 616 Y C 0.883 176.829 175.900 0.078 0.000 1.235 616 Y CA 0.890 58.900 58.100 -0.150 0.000 1.492 616 Y CB 0.039 38.089 38.460 -0.684 0.000 1.308 616 Y HN 0.526 nan 8.280 nan 0.000 0.589 617 F N 1.653 121.667 119.950 0.108 0.000 2.711 617 F HA 0.663 5.399 4.527 0.348 0.000 0.313 617 F C -2.226 173.839 175.800 0.442 0.000 1.141 617 F CA -1.589 56.620 58.000 0.347 0.000 0.941 617 F CB 1.674 40.768 39.000 0.155 0.000 1.349 617 F HN 0.324 nan 8.300 nan 0.000 0.464 618 Y N 1.488 121.827 120.300 0.065 0.000 2.562 618 Y HA 0.540 5.299 4.550 0.347 0.000 0.345 618 Y C -1.554 174.318 175.900 -0.047 0.000 1.045 618 Y CA -1.137 56.868 58.100 -0.159 0.000 1.028 618 Y CB 2.216 40.624 38.460 -0.087 0.000 1.297 618 Y HN 0.768 nan 8.280 nan 0.000 0.463 619 K N 6.009 126.080 120.400 -0.549 0.000 2.450 619 K HA 0.487 5.016 4.320 0.348 0.000 0.257 619 K C -1.363 175.098 176.600 -0.231 0.000 0.953 619 K CA -0.445 55.708 56.287 -0.223 0.000 0.844 619 K CB 1.009 33.404 32.500 -0.175 0.000 1.103 619 K HN 0.723 nan 8.250 nan 0.000 0.429 620 L N 0.631 121.849 121.223 -0.008 0.000 2.569 620 L HA 0.347 4.896 4.340 0.348 0.000 0.247 620 L C 0.991 177.857 176.870 -0.007 0.000 1.135 620 L CA -0.663 54.196 54.840 0.032 0.000 0.812 620 L CB 0.853 42.962 42.059 0.085 0.000 1.431 620 L HN 0.512 nan 8.230 nan 0.000 0.499 621 S N -0.679 115.029 115.700 0.013 0.000 2.572 621 S HA -0.026 4.652 4.470 0.348 0.000 0.267 621 S C 0.262 174.870 174.600 0.012 0.000 1.361 621 S CA 0.035 58.239 58.200 0.007 0.000 1.009 621 S CB 0.112 63.334 63.200 0.036 0.000 0.888 621 S HN 0.623 nan 8.310 nan 0.000 0.553 622 E N 0.714 120.919 120.200 0.008 0.000 2.360 622 E HA -0.209 4.349 4.350 0.348 0.000 0.238 622 E C -0.643 175.967 176.600 0.016 0.000 1.186 622 E CA 0.625 57.034 56.400 0.015 0.000 0.719 622 E CB -1.409 28.304 29.700 0.022 0.000 1.236 622 E HN 0.629 nan 8.360 nan 0.000 0.386 623 D N -1.163 119.244 120.400 0.011 0.000 2.746 623 D HA -0.171 4.678 4.640 0.348 0.000 0.236 623 D C -0.623 175.689 176.300 0.019 0.000 1.129 623 D CA 1.628 55.637 54.000 0.014 0.000 0.691 623 D CB -1.358 39.450 40.800 0.015 0.000 1.077 623 D HN 0.437 nan 8.370 nan 0.000 0.432 624 S N -1.923 113.792 115.700 0.026 0.000 2.568 624 S HA 0.818 5.497 4.470 0.348 0.000 0.293 624 S C -0.469 174.171 174.600 0.066 0.000 1.089 624 S CA -0.671 57.550 58.200 0.036 0.000 0.945 624 S CB 3.423 66.640 63.200 0.029 0.000 1.077 624 S HN 0.015 nan 8.310 nan 0.000 0.485 625 V N 2.539 122.506 119.914 0.088 0.000 2.567 625 V HA 0.365 4.694 4.120 0.348 0.000 0.298 625 V C -0.726 175.468 176.094 0.167 0.000 1.047 625 V CA -0.587 61.808 62.300 0.158 0.000 0.880 625 V CB 1.452 33.378 31.823 0.172 0.000 1.009 625 V HN 0.957 nan 8.190 nan 0.000 0.429 626 I N 5.832 126.524 120.570 0.203 0.000 2.494 626 I HA 0.140 4.519 4.170 0.348 0.000 0.289 626 I C -0.281 176.052 176.117 0.360 0.000 1.106 626 I CA 0.369 61.778 61.300 0.181 0.000 1.369 626 I CB 0.493 38.501 38.000 0.013 0.000 1.410 626 I HN 0.389 nan 8.210 nan 0.000 0.523 627 L N 7.860 129.253 121.223 0.283 0.000 2.322 627 L HA 0.760 5.309 4.340 0.348 0.000 0.281 627 L C -0.084 176.955 176.870 0.281 0.000 1.014 627 L CA -0.423 54.593 54.840 0.292 0.000 0.815 627 L CB 1.402 43.540 42.059 0.131 0.000 1.247 627 L HN 0.583 nan 8.230 nan 0.000 0.421 628 A N 3.215 126.202 122.820 0.278 0.000 2.301 628 A HA 0.612 5.140 4.320 0.348 0.000 0.298 628 A C 0.534 178.164 177.584 0.077 0.000 1.185 628 A CA -0.024 52.130 52.037 0.194 0.000 0.830 628 A CB 0.422 19.456 19.000 0.057 0.000 1.112 628 A HN 0.897 nan 8.150 nan 0.000 0.508 629 T N 0.889 115.484 114.554 0.068 0.000 2.999 629 T HA 0.195 4.754 4.350 0.348 0.000 0.247 629 T C 0.211 174.992 174.700 0.135 0.000 1.012 629 T CA 1.099 63.233 62.100 0.058 0.000 1.048 629 T CB -0.225 68.695 68.868 0.086 0.000 1.020 629 T HN 0.735 nan 8.240 nan 0.000 0.478 630 Y N 0.700 121.049 120.300 0.081 0.000 2.528 630 Y HA 0.712 5.470 4.550 0.347 0.000 0.335 630 Y C -0.261 175.704 175.900 0.108 0.000 1.093 630 Y CA -1.817 56.327 58.100 0.074 0.000 1.134 630 Y CB 0.747 39.235 38.460 0.047 0.000 1.253 630 Y HN -0.255 nan 8.280 nan 0.000 0.478 631 N N 1.145 119.929 118.700 0.140 0.000 2.445 631 N HA 0.083 5.032 4.740 0.348 0.000 0.264 631 N C -0.938 174.533 175.510 -0.066 0.000 1.227 631 N CA -0.538 52.480 53.050 -0.053 0.000 0.963 631 N CB 0.641 39.111 38.487 -0.030 0.000 1.188 631 N HN 0.730 nan 8.380 nan 0.000 0.491 632 Q N 0.610 120.262 119.800 -0.247 0.000 2.255 632 Q HA 0.138 4.687 4.340 0.348 0.000 0.280 632 Q C -0.437 175.534 176.000 -0.048 0.000 1.068 632 Q CA -0.024 55.673 55.803 -0.178 0.000 0.911 632 Q CB 0.553 29.122 28.738 -0.281 0.000 1.157 632 Q HN 0.283 nan 8.270 nan 0.000 0.380 633 V N 2.846 122.805 119.914 0.076 0.000 2.837 633 V HA 0.048 4.376 4.120 0.348 0.000 0.310 633 V C 0.369 176.520 176.094 0.095 0.000 1.059 633 V CA -0.570 61.786 62.300 0.094 0.000 1.004 633 V CB 0.947 32.847 31.823 0.128 0.000 1.045 633 V HN 0.840 nan 8.190 nan 0.000 0.465 634 Y N 1.652 121.940 120.300 -0.020 0.000 2.206 634 Y HA -0.132 4.626 4.550 0.348 0.000 0.292 634 Y C 2.255 178.152 175.900 -0.004 0.000 1.123 634 Y CA 2.003 60.090 58.100 -0.021 0.000 1.142 634 Y CB 0.188 38.633 38.460 -0.025 0.000 1.006 634 Y HN 0.809 nan 8.280 nan 0.000 0.518 635 E N 0.939 121.295 120.200 0.261 0.000 2.023 635 E HA -0.043 4.516 4.350 0.348 0.000 0.196 635 E C 1.590 178.197 176.600 0.013 0.000 1.003 635 E CA 0.889 57.372 56.400 0.139 0.000 0.809 635 E CB -1.001 28.765 29.700 0.111 0.000 0.755 635 E HN 0.453 nan 8.360 nan 0.000 0.449 636 G N 0.235 109.052 108.800 0.029 0.000 2.771 636 G HA2 0.108 4.277 3.960 0.348 0.000 0.242 636 G HA3 0.108 4.277 3.960 0.348 0.000 0.242 636 G C -0.449 174.465 174.900 0.025 0.000 1.233 636 G CA -0.142 44.972 45.100 0.023 0.000 0.858 636 G HN 0.090 nan 8.290 nan 0.000 0.591 637 T N 0.355 114.934 114.554 0.041 0.000 2.947 637 T HA 0.219 4.778 4.350 0.348 0.000 0.337 637 T C 0.002 174.764 174.700 0.104 0.000 1.139 637 T CA -0.202 61.925 62.100 0.044 0.000 0.992 637 T CB 0.304 69.192 68.868 0.033 0.000 1.043 637 T HN 0.661 nan 8.240 nan 0.000 0.498 638 H N 3.280 122.350 119.070 0.001 0.000 3.107 638 H HA 0.179 4.944 4.556 0.349 0.000 0.301 638 H C -0.016 175.280 175.328 -0.053 0.000 0.981 638 H CA 0.535 56.548 56.048 -0.059 0.000 1.443 638 H CB 0.383 29.965 29.762 -0.299 0.000 1.479 638 H HN 0.470 nan 8.280 nan 0.000 0.564 639 Q N 7.264 126.823 119.800 -0.401 0.000 2.309 639 Q HA 0.298 4.847 4.340 0.348 0.000 0.270 639 Q C -2.479 173.284 176.000 -0.395 0.000 1.023 639 Q CA -2.146 53.490 55.803 -0.278 0.000 0.758 639 Q CB 2.352 31.054 28.738 -0.060 0.000 1.247 639 Q HN 0.615 nan 8.270 nan 0.000 0.455 640 P HA 0.201 nan 4.420 nan 0.000 0.276 640 P C -0.656 176.641 177.300 -0.004 0.000 1.261 640 P CA -0.371 62.691 63.100 -0.064 0.000 0.800 640 P CB 1.265 33.110 31.700 0.242 0.000 1.066 641 I N 0.146 120.738 120.570 0.038 0.000 2.577 641 I HA 0.317 4.696 4.170 0.348 0.000 0.305 641 I C 0.686 176.823 176.117 0.033 0.000 0.986 641 I CA -0.720 60.595 61.300 0.024 0.000 1.189 641 I CB 1.370 39.379 38.000 0.014 0.000 1.355 641 I HN 0.233 nan 8.210 nan 0.000 0.476 642 K N 5.224 125.632 120.400 0.013 0.000 2.307 642 K HA 0.635 5.163 4.320 0.348 0.000 0.263 642 K C -1.747 174.852 176.600 -0.001 0.000 0.973 642 K CA -0.477 55.819 56.287 0.015 0.000 0.846 642 K CB 1.246 33.749 32.500 0.005 0.000 1.100 642 K HN 0.391 nan 8.250 nan 0.000 0.438 643 V N 4.510 124.426 119.914 0.004 0.000 2.667 643 V HA 0.578 4.906 4.120 0.348 0.000 0.308 643 V C -0.456 175.633 176.094 -0.007 0.000 1.048 643 V CA -0.872 61.414 62.300 -0.025 0.000 0.928 643 V CB 1.727 33.523 31.823 -0.045 0.000 1.004 643 V HN 0.793 nan 8.190 nan 0.000 0.444 644 R N 2.913 123.401 120.500 -0.019 0.000 2.510 644 R HA 0.309 4.858 4.340 0.348 0.000 0.287 644 R C -0.976 175.316 176.300 -0.014 0.000 1.084 644 R CA -0.712 55.383 56.100 -0.008 0.000 0.934 644 R CB 1.520 31.814 30.300 -0.009 0.000 1.201 644 R HN 0.698 nan 8.270 nan 0.000 0.431 645 K N 4.753 125.149 120.400 -0.007 0.000 2.250 645 K HA 0.114 4.642 4.320 0.348 0.000 0.285 645 K C 0.347 176.952 176.600 0.008 0.000 1.097 645 K CA -0.070 56.208 56.287 -0.016 0.000 0.913 645 K CB 1.152 33.644 32.500 -0.014 0.000 1.179 645 K HN 0.433 nan 8.250 nan 0.000 0.462 646 V N 5.183 125.103 119.914 0.010 0.000 2.488 646 V HA -0.104 4.225 4.120 0.348 0.000 0.246 646 V C 0.230 176.439 176.094 0.193 0.000 1.046 646 V CA 1.140 63.486 62.300 0.078 0.000 1.053 646 V CB -0.686 31.187 31.823 0.085 0.000 0.679 646 V HN 0.804 nan 8.190 nan 0.000 0.458 647 Y N -2.486 117.808 120.300 -0.009 0.000 2.641 647 Y HA 0.720 5.475 4.550 0.343 0.000 0.333 647 Y C -0.565 175.336 175.900 0.002 0.000 1.174 647 Y CA -0.482 57.620 58.100 0.004 0.000 1.057 647 Y CB 1.129 39.601 38.460 0.020 0.000 1.322 647 Y HN 0.131 nan 8.280 nan 0.000 0.457 648 G N 1.625 110.449 108.800 0.040 0.000 2.333 648 G HA2 0.089 4.258 3.960 0.348 0.000 0.330 648 G HA3 0.089 4.258 3.960 0.348 0.000 0.330 648 G C -0.637 174.267 174.900 0.006 0.000 1.465 648 G CA -0.437 44.624 45.100 -0.065 0.000 0.996 648 G HN 0.770 nan 8.290 nan 0.000 0.655 649 E N -0.629 119.574 120.200 0.005 0.000 2.482 649 E HA 0.076 4.635 4.350 0.348 0.000 0.196 649 E C 0.862 177.462 176.600 -0.001 0.000 1.047 649 E CA 0.399 56.809 56.400 0.016 0.000 0.869 649 E CB 0.350 30.063 29.700 0.022 0.000 0.836 649 E HN 0.340 nan 8.360 nan 0.000 0.520 650 L N 1.904 123.116 121.223 -0.019 0.000 2.344 650 L HA 0.303 4.852 4.340 0.348 0.000 0.272 650 L C -2.217 174.645 176.870 -0.014 0.000 1.035 650 L CA -2.381 52.449 54.840 -0.016 0.000 0.807 650 L CB 1.113 43.158 42.059 -0.022 0.000 1.237 650 L HN -0.176 nan 8.230 nan 0.000 0.442 651 P HA 0.025 nan 4.420 nan 0.000 0.276 651 P C 0.982 178.271 177.300 -0.019 0.000 1.253 651 P CA -0.322 62.770 63.100 -0.012 0.000 0.766 651 P CB 1.045 32.737 31.700 -0.013 0.000 0.845 652 V N 2.286 122.191 119.914 -0.016 0.000 2.357 652 V HA -0.343 3.986 4.120 0.348 0.000 0.257 652 V C 1.777 177.843 176.094 -0.047 0.000 1.082 652 V CA 2.142 64.429 62.300 -0.021 0.000 1.078 652 V CB -1.865 29.956 31.823 -0.003 0.000 0.663 652 V HN 0.359 nan 8.190 nan 0.000 0.455 653 E N 0.577 120.737 120.200 -0.067 0.000 2.150 653 E HA -0.062 4.497 4.350 0.348 0.000 0.193 653 E C 2.114 178.645 176.600 -0.115 0.000 0.985 653 E CA 1.306 57.615 56.400 -0.151 0.000 0.814 653 E CB -0.567 29.014 29.700 -0.198 0.000 0.752 653 E HN 0.536 nan 8.360 nan 0.000 0.466 654 V N 0.838 120.715 119.914 -0.062 0.000 2.307 654 V HA -0.222 4.107 4.120 0.348 0.000 0.245 654 V C 2.130 178.217 176.094 -0.012 0.000 1.045 654 V CA 1.421 63.703 62.300 -0.032 0.000 1.024 654 V CB -0.430 31.387 31.823 -0.012 0.000 0.651 654 V HN 0.272 nan 8.190 nan 0.000 0.449 655 L N -0.923 120.296 121.223 -0.007 0.000 2.079 655 L HA -0.241 4.307 4.340 0.348 0.000 0.210 655 L C 2.656 179.506 176.870 -0.033 0.000 1.081 655 L CA 1.555 56.407 54.840 0.020 0.000 0.752 655 L CB -0.937 41.132 42.059 0.017 0.000 0.896 655 L HN 0.396 nan 8.230 nan 0.000 0.433 656 C N -0.922 118.332 119.300 -0.076 0.000 2.432 656 C HA -0.188 4.481 4.460 0.348 0.000 0.277 656 C C 3.370 178.276 174.990 -0.140 0.000 1.249 656 C CA 1.300 60.246 59.018 -0.120 0.000 1.725 656 C CB -0.660 27.002 27.740 -0.131 0.000 2.028 656 C HN 0.636 nan 8.230 nan 0.000 0.477 657 S N 0.337 115.976 115.700 -0.101 0.000 2.372 657 S HA -0.312 4.367 4.470 0.348 0.000 0.227 657 S C 1.866 176.419 174.600 -0.079 0.000 1.044 657 S CA 2.205 60.381 58.200 -0.041 0.000 1.050 657 S CB -0.445 62.762 63.200 0.012 0.000 0.901 657 S HN 0.760 nan 8.310 nan 0.000 0.447 658 Q N 0.261 120.027 119.800 -0.056 0.000 2.045 658 Q HA -0.123 4.426 4.340 0.348 0.000 0.206 658 Q C 2.345 178.205 176.000 -0.234 0.000 0.991 658 Q CA 2.028 57.773 55.803 -0.097 0.000 0.851 658 Q CB -0.431 28.345 28.738 0.064 0.000 0.911 658 Q HN 0.619 nan 8.270 nan 0.000 0.418 659 I N 0.765 121.205 120.570 -0.216 0.000 2.163 659 I HA -0.323 4.056 4.170 0.348 0.000 0.243 659 I C 2.331 178.232 176.117 -0.361 0.000 1.085 659 I CA 1.196 62.321 61.300 -0.293 0.000 1.347 659 I CB -0.391 37.427 38.000 -0.304 0.000 1.044 659 I HN 0.236 nan 8.210 nan 0.000 0.408 660 L N -0.069 120.887 121.223 -0.445 0.000 2.013 660 L HA -0.273 4.276 4.340 0.348 0.000 0.212 660 L C 2.726 179.115 176.870 -0.802 0.000 1.073 660 L CA 1.409 55.774 54.840 -0.791 0.000 0.753 660 L CB -0.699 40.591 42.059 -1.282 0.000 0.890 660 L HN 0.216 nan 8.230 nan 0.000 0.432 661 S N 0.107 115.503 115.700 -0.507 0.000 2.351 661 S HA -0.175 4.504 4.470 0.348 0.000 0.220 661 S C 1.950 176.375 174.600 -0.291 0.000 1.035 661 S CA 1.398 59.452 58.200 -0.244 0.000 1.031 661 S CB -0.429 62.700 63.200 -0.118 0.000 0.928 661 S HN 0.295 nan 8.310 nan 0.000 0.433 662 L N 1.018 122.021 121.223 -0.367 0.000 2.081 662 L HA -0.176 4.373 4.340 0.348 0.000 0.212 662 L C 2.616 179.298 176.870 -0.314 0.000 1.080 662 L CA 1.254 55.856 54.840 -0.396 0.000 0.754 662 L CB -1.500 40.261 42.059 -0.497 0.000 0.893 662 L HN 0.337 nan 8.230 nan 0.000 0.433 663 T N 0.589 114.967 114.554 -0.293 0.000 2.771 663 T HA -0.263 4.296 4.350 0.348 0.000 0.262 663 T C 1.713 176.282 174.700 -0.220 0.000 1.027 663 T CA 1.782 63.735 62.100 -0.245 0.000 1.159 663 T CB -0.281 68.429 68.868 -0.264 0.000 0.844 663 T HN 0.257 nan 8.240 nan 0.000 0.478 664 L N -0.267 120.825 121.223 -0.218 0.000 2.509 664 L HA 0.168 4.717 4.340 0.348 0.000 0.222 664 L C 2.193 178.863 176.870 -0.334 0.000 1.123 664 L CA 0.271 54.998 54.840 -0.189 0.000 0.856 664 L CB -0.200 41.790 42.059 -0.114 0.000 0.985 664 L HN 0.220 nan 8.230 nan 0.000 0.456 665 M N -0.631 118.762 119.600 -0.345 0.000 2.595 665 M HA 0.012 4.700 4.480 0.348 0.000 0.248 665 M C 1.308 177.468 176.300 -0.234 0.000 1.119 665 M CA 0.701 55.739 55.300 -0.437 0.000 1.079 665 M CB -0.798 31.682 32.600 -0.201 0.000 1.472 665 M HN 0.241 nan 8.290 nan 0.000 0.501 666 N N 0.462 119.054 118.700 -0.179 0.000 2.453 666 N HA -0.125 4.823 4.740 0.348 0.000 0.183 666 N C -0.314 175.217 175.510 0.035 0.000 1.041 666 N CA 0.453 53.458 53.050 -0.075 0.000 0.900 666 N CB -0.192 38.135 38.487 -0.266 0.000 0.961 666 N HN 0.382 nan 8.380 nan 0.000 0.443 667 Y N -0.616 119.670 120.300 -0.025 0.000 3.305 667 Y HA -0.249 4.508 4.550 0.345 0.000 0.209 667 Y C 0.368 176.292 175.900 0.041 0.000 1.354 667 Y CA 0.314 58.416 58.100 0.003 0.000 1.392 667 Y CB -2.059 36.339 38.460 -0.103 0.000 1.446 667 Y HN -0.073 nan 8.280 nan 0.000 0.553 668 S N -1.222 114.552 115.700 0.123 0.000 2.539 668 S HA 0.355 5.034 4.470 0.348 0.000 0.185 668 S C 0.973 175.634 174.600 0.102 0.000 1.181 668 S CA 0.214 58.482 58.200 0.114 0.000 1.216 668 S CB 0.121 63.334 63.200 0.022 0.000 1.476 668 S HN 0.348 nan 8.310 nan 0.000 0.395 669 S N 0.849 116.613 115.700 0.107 0.000 2.389 669 S HA -0.133 4.546 4.470 0.348 0.000 0.231 669 S C 1.005 175.527 174.600 -0.131 0.000 1.052 669 S CA 1.869 60.020 58.200 -0.083 0.000 1.053 669 S CB -0.314 62.728 63.200 -0.264 0.000 0.886 669 S HN 0.773 nan 8.310 nan 0.000 0.456 670 F N 0.803 120.792 119.950 0.064 0.000 2.569 670 F HA 0.208 4.943 4.527 0.347 0.000 0.295 670 F C 1.228 177.083 175.800 0.091 0.000 1.115 670 F CA 0.239 58.296 58.000 0.096 0.000 1.450 670 F CB 0.174 39.201 39.000 0.045 0.000 1.107 670 F HN 0.060 nan 8.300 nan 0.000 0.563 671 Q N 2.211 122.142 119.800 0.219 0.000 2.333 671 Q HA 0.278 4.826 4.340 0.348 0.000 0.268 671 Q C -2.448 173.564 176.000 0.021 0.000 1.007 671 Q CA -2.371 53.499 55.803 0.112 0.000 0.810 671 Q CB 1.775 30.563 28.738 0.084 0.000 1.264 671 Q HN -0.108 nan 8.270 nan 0.000 0.452 672 P HA 0.074 nan 4.420 nan 0.000 0.266 672 P C -0.665 176.515 177.300 -0.200 0.000 1.195 672 P CA 0.420 63.473 63.100 -0.079 0.000 0.768 672 P CB 0.878 32.477 31.700 -0.167 0.000 0.838 673 I N 3.057 123.523 120.570 -0.173 0.000 2.468 673 I HA 0.176 4.555 4.170 0.348 0.000 0.285 673 I C 1.617 177.651 176.117 -0.139 0.000 1.039 673 I CA -0.662 60.509 61.300 -0.214 0.000 1.074 673 I CB 1.974 39.782 38.000 -0.320 0.000 1.228 673 I HN 0.299 nan 8.210 nan 0.000 0.436 674 K N 4.435 124.760 120.400 -0.124 0.000 2.074 674 K HA -0.030 4.498 4.320 0.348 0.000 0.209 674 K C 0.349 176.966 176.600 0.029 0.000 1.048 674 K CA 1.335 57.646 56.287 0.039 0.000 0.926 674 K CB 0.177 32.703 32.500 0.043 0.000 0.713 674 K HN 0.469 nan 8.250 nan 0.000 0.444 675 L N 1.190 122.424 121.223 0.018 0.000 2.334 675 L HA 0.320 4.869 4.340 0.348 0.000 0.272 675 L C -2.228 174.622 176.870 -0.034 0.000 1.020 675 L CA -2.493 52.363 54.840 0.026 0.000 0.812 675 L CB 1.519 43.654 42.059 0.127 0.000 1.264 675 L HN 0.006 nan 8.230 nan 0.000 0.439 676 P HA 0.092 nan 4.420 nan 0.000 0.276 676 P C -0.016 177.252 177.300 -0.055 0.000 1.244 676 P CA -0.393 62.627 63.100 -0.133 0.000 0.801 676 P CB 1.101 32.682 31.700 -0.197 0.000 1.006 677 A N 2.061 124.808 122.820 -0.122 0.000 2.032 677 A HA -0.203 4.326 4.320 0.348 0.000 0.221 677 A C 1.965 179.593 177.584 0.073 0.000 1.165 677 A CA 2.644 54.684 52.037 0.004 0.000 0.645 677 A CB -2.115 16.834 19.000 -0.085 0.000 0.807 677 A HN 0.689 nan 8.150 nan 0.000 0.453 678 T N -1.232 113.254 114.554 -0.114 0.000 2.699 678 T HA -0.151 4.408 4.350 0.348 0.000 0.268 678 T C 1.331 176.102 174.700 0.119 0.000 1.036 678 T CA 1.943 64.080 62.100 0.061 0.000 1.147 678 T CB -0.894 68.033 68.868 0.100 0.000 0.862 678 T HN 1.002 nan 8.240 nan 0.000 0.446 679 V N -1.821 118.154 119.914 0.102 0.000 3.253 679 V HA 0.420 4.749 4.120 0.348 0.000 0.320 679 V C 0.299 176.461 176.094 0.114 0.000 1.442 679 V CA -0.905 61.439 62.300 0.073 0.000 1.097 679 V CB -1.215 30.652 31.823 0.074 0.000 1.008 679 V HN 0.504 nan 8.190 nan 0.000 0.463 680 H N 0.524 119.647 119.070 0.088 0.000 2.899 680 H HA 0.332 5.098 4.556 0.350 0.000 0.303 680 H C 0.461 175.939 175.328 0.250 0.000 1.042 680 H CA 0.544 56.680 56.048 0.147 0.000 1.479 680 H CB -0.262 29.579 29.762 0.133 0.000 1.493 680 H HN 0.347 nan 8.280 nan 0.000 0.534 681 Y N 1.822 121.835 120.300 -0.479 0.000 4.897 681 Y HA -0.435 4.321 4.550 0.343 0.000 0.263 681 Y C 2.150 177.943 175.900 -0.178 0.000 0.945 681 Y CA 0.706 58.589 58.100 -0.362 0.000 1.858 681 Y CB -1.563 36.683 38.460 -0.357 0.000 1.296 681 Y HN 0.639 nan 8.280 nan 0.000 0.490 682 S N 0.068 115.793 115.700 0.042 0.000 2.370 682 S HA -0.262 4.417 4.470 0.348 0.000 0.226 682 S C 1.648 176.314 174.600 0.110 0.000 1.033 682 S CA 1.486 59.778 58.200 0.155 0.000 1.011 682 S CB -0.306 62.946 63.200 0.088 0.000 0.852 682 S HN 0.655 nan 8.310 nan 0.000 0.457 683 D N 1.043 121.470 120.400 0.045 0.000 2.144 683 D HA -0.127 4.722 4.640 0.348 0.000 0.199 683 D C 1.716 177.992 176.300 -0.041 0.000 0.984 683 D CA 1.005 55.017 54.000 0.021 0.000 0.834 683 D CB 0.010 40.824 40.800 0.022 0.000 0.955 683 D HN 0.368 nan 8.370 nan 0.000 0.465 684 K N 0.117 120.447 120.400 -0.118 0.000 2.057 684 K HA -0.099 4.429 4.320 0.348 0.000 0.207 684 K C 2.458 178.951 176.600 -0.177 0.000 1.049 684 K CA 0.779 56.953 56.287 -0.189 0.000 0.931 684 K CB 0.082 32.353 32.500 -0.382 0.000 0.714 684 K HN 0.229 nan 8.250 nan 0.000 0.440 685 I N 1.411 121.856 120.570 -0.208 0.000 2.142 685 I HA -0.314 4.064 4.170 0.348 0.000 0.240 685 I C 2.734 178.702 176.117 -0.247 0.000 1.078 685 I CA 1.824 62.941 61.300 -0.305 0.000 1.343 685 I CB -0.716 36.916 38.000 -0.614 0.000 1.046 685 I HN 0.370 nan 8.210 nan 0.000 0.405 686 T N -1.028 113.436 114.554 -0.150 0.000 2.635 686 T HA -0.292 4.267 4.350 0.348 0.000 0.267 686 T C 1.911 176.588 174.700 -0.038 0.000 1.040 686 T CA 1.589 63.659 62.100 -0.051 0.000 1.156 686 T CB -0.458 68.444 68.868 0.058 0.000 0.863 686 T HN 0.161 nan 8.240 nan 0.000 0.430 687 K N 0.351 120.731 120.400 -0.034 0.000 2.097 687 K HA 0.090 4.619 4.320 0.348 0.000 0.206 687 K C 2.144 178.725 176.600 -0.032 0.000 1.049 687 K CA 0.965 57.241 56.287 -0.019 0.000 0.933 687 K CB -0.477 32.014 32.500 -0.016 0.000 0.717 687 K HN 0.240 nan 8.250 nan 0.000 0.442 688 L N 0.420 121.603 121.223 -0.066 0.000 2.056 688 L HA -0.130 4.418 4.340 0.348 0.000 0.207 688 L C 1.794 178.632 176.870 -0.054 0.000 1.078 688 L CA 1.702 56.503 54.840 -0.065 0.000 0.749 688 L CB -0.231 41.769 42.059 -0.098 0.000 0.901 688 L HN 0.215 nan 8.230 nan 0.000 0.433 689 M N -1.463 118.096 119.600 -0.068 0.000 2.319 689 M HA -0.109 4.580 4.480 0.348 0.000 0.265 689 M C 2.333 178.620 176.300 -0.022 0.000 1.068 689 M CA 1.118 56.385 55.300 -0.055 0.000 1.118 689 M CB -1.076 31.478 32.600 -0.076 0.000 1.395 689 M HN 0.279 nan 8.290 nan 0.000 0.435 690 L N 0.094 121.313 121.223 -0.007 0.000 2.151 690 L HA -0.297 4.251 4.340 0.348 0.000 0.215 690 L C 2.642 179.521 176.870 0.015 0.000 1.084 690 L CA 1.544 56.394 54.840 0.015 0.000 0.764 690 L CB -0.350 41.724 42.059 0.025 0.000 0.891 690 L HN 0.364 nan 8.230 nan 0.000 0.435 691 R N -0.477 120.028 120.500 0.009 0.000 2.075 691 R HA 0.012 4.561 4.340 0.348 0.000 0.226 691 R C 1.425 177.729 176.300 0.007 0.000 1.114 691 R CA 0.600 56.709 56.100 0.014 0.000 0.972 691 R CB -0.759 29.552 30.300 0.018 0.000 0.869 691 R HN 0.350 nan 8.270 nan 0.000 0.437 692 G N 3.554 112.352 108.800 -0.004 0.000 2.526 692 G HA2 -0.170 3.999 3.960 0.348 0.000 0.307 692 G HA3 -0.170 3.999 3.960 0.348 0.000 0.307 692 G C 0.129 175.027 174.900 -0.003 0.000 0.456 692 G CA 0.189 45.283 45.100 -0.010 0.000 1.625 692 G HN 0.265 nan 8.290 nan 0.000 0.392 693 I N 0.941 121.513 120.570 0.002 0.000 3.247 693 I HA -0.035 4.344 4.170 0.348 0.000 0.309 693 I C 0.694 176.811 176.117 0.000 0.000 1.246 693 I CA 1.145 62.448 61.300 0.004 0.000 1.384 693 I CB -0.300 37.703 38.000 0.006 0.000 1.401 693 I HN 0.843 nan 8.210 nan 0.000 0.520 694 E N 5.618 125.819 120.200 0.002 0.000 6.375 694 E HA -0.039 4.519 4.350 0.348 0.000 0.538 694 E C -2.634 173.964 176.600 -0.003 0.000 0.683 694 E CA -1.010 55.389 56.400 -0.001 0.000 2.827 694 E CB -0.375 29.323 29.700 -0.003 0.000 0.815 694 E HN 0.223 nan 8.360 nan 0.000 0.262 695 P HA 0.152 nan 4.420 nan 0.000 0.266 695 P C -0.619 176.674 177.300 -0.013 0.000 1.180 695 P CA 0.742 63.837 63.100 -0.008 0.000 0.765 695 P CB 0.248 31.945 31.700 -0.004 0.000 0.806 696 I N 1.882 122.440 120.570 -0.021 0.000 2.644 696 I HA 0.356 4.734 4.170 0.348 0.000 0.291 696 I C -0.155 175.953 176.117 -0.016 0.000 1.180 696 I CA -0.578 60.713 61.300 -0.016 0.000 1.040 696 I CB 2.431 40.421 38.000 -0.016 0.000 1.255 696 I HN 0.110 nan 8.210 nan 0.000 0.422 697 K N 6.229 126.633 120.400 0.007 0.000 2.716 697 K HA 0.465 4.993 4.320 0.348 0.000 0.249 697 K C -1.552 175.080 176.600 0.054 0.000 1.004 697 K CA -0.675 55.629 56.287 0.029 0.000 0.968 697 K CB 1.810 34.320 32.500 0.018 0.000 1.214 697 K HN 0.519 nan 8.250 nan 0.000 0.476 698 K N 2.434 122.895 120.400 0.102 0.000 2.426 698 K HA 0.350 4.878 4.320 0.348 0.000 0.251 698 K C -0.703 175.959 176.600 0.102 0.000 0.941 698 K CA -0.907 55.442 56.287 0.103 0.000 0.808 698 K CB 2.760 35.345 32.500 0.141 0.000 1.265 698 K HN 0.659 nan 8.250 nan 0.000 0.432 699 E N -0.137 119.995 120.200 -0.113 0.000 2.433 699 E HA 0.809 5.367 4.350 0.348 0.000 0.273 699 E C -0.494 175.584 176.600 -0.870 0.000 0.950 699 E CA -1.197 54.878 56.400 -0.541 0.000 0.796 699 E CB 2.176 31.619 29.700 -0.427 0.000 1.330 699 E HN 0.642 nan 8.360 nan 0.000 0.455 700 G N 0.095 108.036 108.800 -1.431 0.000 2.488 700 G HA2 0.410 4.579 3.960 0.348 0.000 0.301 700 G HA3 0.410 4.579 3.960 0.348 0.000 0.301 700 G C -1.611 172.957 174.900 -0.552 0.000 1.339 700 G CA -0.215 44.376 45.100 -0.848 0.000 0.803 700 G HN 0.662 nan 8.290 nan 0.000 0.482 701 D N -1.309 119.005 120.400 -0.143 0.000 2.692 701 D HA 0.356 5.204 4.640 0.348 0.000 0.290 701 D C -0.209 176.118 176.300 0.045 0.000 1.455 701 D CA -0.071 53.897 54.000 -0.053 0.000 0.796 701 D CB 0.300 41.049 40.800 -0.085 0.000 1.131 701 D HN 0.381 nan 8.370 nan 0.000 0.467 702 I N 0.699 121.381 120.570 0.187 0.000 2.534 702 I HA 0.250 4.629 4.170 0.348 0.000 0.288 702 I C -0.058 176.112 176.117 0.088 0.000 1.077 702 I CA -0.847 60.514 61.300 0.102 0.000 1.051 702 I CB 2.183 40.236 38.000 0.089 0.000 1.234 702 I HN -0.143 nan 8.210 nan 0.000 0.425 703 M N 7.102 126.545 119.600 -0.260 0.000 3.593 703 M HA 0.054 4.743 4.480 0.348 0.000 0.204 703 M C 0.705 176.475 176.300 -0.883 0.000 1.569 703 M CA 0.066 54.781 55.300 -0.976 0.000 1.694 703 M CB -0.908 31.105 32.600 -0.978 0.000 1.149 703 M HN 0.642 nan 8.290 nan 0.000 0.552 704 Y N -0.434 119.653 120.300 -0.355 0.000 2.569 704 Y HA -0.124 4.629 4.550 0.339 0.000 0.293 704 Y C 1.490 177.344 175.900 -0.076 0.000 1.144 704 Y CA 0.551 58.576 58.100 -0.125 0.000 1.321 704 Y CB -0.716 37.772 38.460 0.046 0.000 0.982 704 Y HN 0.696 nan 8.280 nan 0.000 0.558 705 W N 0.486 121.437 121.300 -0.582 0.000 3.278 705 W HA 0.397 5.284 4.660 0.379 0.000 0.308 705 W C -0.093 176.319 176.519 -0.178 0.000 1.253 705 W CA -0.969 56.110 57.345 -0.444 0.000 1.759 705 W CB -0.599 28.546 29.460 -0.524 0.000 1.093 705 W HN -0.162 nan 8.180 nan 0.000 0.648 706 L N 0.000 120.877 121.223 -0.577 0.000 2.949 706 L HA 0.000 4.549 4.340 0.348 0.000 0.249 706 L CA 0.000 54.630 54.840 -0.349 0.000 0.813 706 L CB 0.000 41.847 42.059 -0.353 0.000 0.961 706 L HN 0.000 nan 8.230 nan 0.000 0.502