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 2f8t_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 0.000 176.700 176.600 0.167 0.000 0.988 3 K CA 0.000 56.357 56.287 0.117 0.000 0.838 3 K CB 0.000 32.581 32.500 0.136 0.000 1.064 4 E N 2.072 122.338 120.200 0.110 0.000 2.765 4 E HA 0.066 4.658 4.350 0.404 0.000 0.256 4 E C -0.886 175.800 176.600 0.144 0.000 0.935 4 E CA 0.673 57.143 56.400 0.116 0.000 0.954 4 E CB 0.471 30.217 29.700 0.076 0.000 0.908 4 E HN 0.426 nan 8.360 nan 0.000 0.500 5 A N 5.856 128.796 122.820 0.200 0.000 2.374 5 A HA 0.560 5.123 4.320 0.404 0.000 0.305 5 A C -0.895 176.827 177.584 0.229 0.000 1.053 5 A CA -0.728 51.431 52.037 0.203 0.000 0.726 5 A CB 0.975 20.096 19.000 0.202 0.000 1.229 5 A HN 0.582 nan 8.150 nan 0.000 0.431 6 L N 2.138 123.485 121.223 0.208 0.000 2.331 6 L HA 0.613 5.196 4.340 0.404 0.000 0.275 6 L C -0.988 175.963 176.870 0.135 0.000 1.022 6 L CA -0.808 54.103 54.840 0.119 0.000 0.812 6 L CB 1.542 43.632 42.059 0.051 0.000 1.257 6 L HN 0.590 nan 8.230 nan 0.000 0.435 7 L N 1.653 122.819 121.223 -0.095 0.000 2.330 7 L HA 0.336 4.918 4.340 0.404 0.000 0.271 7 L C 0.529 177.211 176.870 -0.313 0.000 1.013 7 L CA -0.581 54.140 54.840 -0.197 0.000 0.816 7 L CB 1.101 42.855 42.059 -0.509 0.000 1.287 7 L HN 0.549 nan 8.230 nan 0.000 0.435 8 N N 3.167 121.760 118.700 -0.178 0.000 3.059 8 N HA 0.073 5.055 4.740 0.404 0.000 0.321 8 N C -0.999 174.252 175.510 -0.432 0.000 1.224 8 N CA 0.300 53.162 53.050 -0.312 0.000 1.197 8 N CB -0.472 38.043 38.487 0.047 0.000 1.453 8 N HN 0.479 nan 8.380 nan 0.000 0.544 9 L N 0.930 121.712 121.223 -0.736 0.000 2.388 9 L HA 0.518 5.101 4.340 0.404 0.000 0.264 9 L C -1.174 175.274 176.870 -0.703 0.000 0.998 9 L CA -1.033 53.499 54.840 -0.513 0.000 0.817 9 L CB 1.658 43.463 42.059 -0.424 0.000 1.338 9 L HN 0.089 nan 8.230 nan 0.000 0.414 10 Y N 0.660 120.933 120.300 -0.046 0.000 2.396 10 Y HA 0.439 5.231 4.550 0.404 0.000 0.332 10 Y C -0.341 175.569 175.900 0.017 0.000 1.034 10 Y CA -0.988 57.097 58.100 -0.024 0.000 1.057 10 Y CB 1.776 40.218 38.460 -0.030 0.000 1.220 10 Y HN 0.390 nan 8.280 nan 0.000 0.440 11 R N 3.404 123.999 120.500 0.158 0.000 2.623 11 R HA 0.459 5.042 4.340 0.404 0.000 0.271 11 R C -0.866 175.539 176.300 0.175 0.000 1.043 11 R CA -0.030 56.150 56.100 0.133 0.000 1.083 11 R CB 0.857 31.150 30.300 -0.011 0.000 0.974 11 R HN 0.714 nan 8.270 nan 0.000 0.436 12 I N 1.373 122.083 120.570 0.232 0.000 2.656 12 I HA 0.228 4.640 4.170 0.404 0.000 0.292 12 I C -1.100 175.276 176.117 0.432 0.000 1.144 12 I CA -0.487 60.999 61.300 0.311 0.000 1.038 12 I CB 1.886 40.016 38.000 0.216 0.000 1.244 12 I HN 0.848 nan 8.210 nan 0.000 0.420 13 E N 5.763 126.260 120.200 0.495 0.000 2.429 13 E HA 0.355 4.947 4.350 0.404 0.000 0.276 13 E C -2.043 174.891 176.600 0.557 0.000 0.953 13 E CA -0.843 55.863 56.400 0.509 0.000 0.787 13 E CB 2.361 32.241 29.700 0.300 0.000 1.307 13 E HN 0.467 nan 8.360 nan 0.000 0.458 14 Y N 1.498 121.938 120.300 0.233 0.000 2.338 14 Y HA 0.452 5.245 4.550 0.404 0.000 0.328 14 Y C -1.229 174.701 175.900 0.050 0.000 0.965 14 Y CA -1.125 56.896 58.100 -0.132 0.000 1.208 14 Y CB 1.152 39.244 38.460 -0.614 0.000 1.132 14 Y HN 0.501 nan 8.280 nan 0.000 0.469 15 R N 7.264 127.632 120.500 -0.220 0.000 2.639 15 R HA 0.311 4.893 4.340 0.404 0.000 0.273 15 R C -3.139 173.062 176.300 -0.165 0.000 1.732 15 R CA -1.601 54.399 56.100 -0.166 0.000 1.586 15 R CB 0.703 30.977 30.300 -0.042 0.000 1.263 15 R HN 0.493 nan 8.270 nan 0.000 0.615 16 P HA 0.289 nan 4.420 nan 0.000 0.278 16 P C 0.015 177.297 177.300 -0.029 0.000 1.258 16 P CA -0.494 62.490 63.100 -0.194 0.000 0.811 16 P CB 1.461 33.020 31.700 -0.236 0.000 1.063 17 K N -0.194 120.219 120.400 0.022 0.000 1.984 17 K HA -0.043 4.520 4.320 0.404 0.000 0.209 17 K C 1.019 177.660 176.600 0.069 0.000 1.046 17 K CA 1.217 57.529 56.287 0.042 0.000 0.934 17 K CB -0.536 31.988 32.500 0.040 0.000 0.717 17 K HN 0.485 nan 8.250 nan 0.000 0.438 18 D N 1.199 121.656 120.400 0.095 0.000 2.338 18 D HA -0.017 4.865 4.640 0.404 0.000 0.255 18 D C -0.301 176.128 176.300 0.216 0.000 1.237 18 D CA 0.296 54.377 54.000 0.136 0.000 0.883 18 D CB 0.815 41.694 40.800 0.132 0.000 1.087 18 D HN 0.276 nan 8.370 nan 0.000 0.485 19 T N 0.038 114.741 114.554 0.248 0.000 3.269 19 T HA 0.189 4.781 4.350 0.404 0.000 0.269 19 T C 0.155 175.158 174.700 0.505 0.000 0.993 19 T CA -0.578 61.761 62.100 0.397 0.000 0.909 19 T CB -0.181 68.852 68.868 0.275 0.000 1.115 19 T HN 0.147 nan 8.240 nan 0.000 0.543 20 T N 2.784 117.618 114.554 0.466 0.000 2.770 20 T HA 0.622 5.214 4.350 0.404 0.000 0.297 20 T C -0.952 174.054 174.700 0.509 0.000 0.997 20 T CA -0.455 61.878 62.100 0.389 0.000 0.949 20 T CB 0.257 69.241 68.868 0.193 0.000 0.941 20 T HN 0.170 nan 8.240 nan 0.000 0.457 21 F N 1.337 121.343 119.950 0.093 0.000 2.541 21 F HA 0.586 5.356 4.527 0.404 0.000 0.331 21 F C 0.915 176.641 175.800 -0.124 0.000 1.057 21 F CA -1.407 56.615 58.000 0.037 0.000 0.975 21 F CB 1.487 40.557 39.000 0.117 0.000 1.246 21 F HN 0.284 nan 8.300 nan 0.000 0.484 22 T N 1.958 116.547 114.554 0.058 0.000 2.770 22 T HA 0.556 5.149 4.350 0.404 0.000 0.283 22 T C -0.531 174.046 174.700 -0.204 0.000 0.988 22 T CA -0.550 61.484 62.100 -0.110 0.000 0.957 22 T CB 1.204 70.054 68.868 -0.030 0.000 0.930 22 T HN 0.230 nan 8.240 nan 0.000 0.443 23 V N 4.179 123.807 119.914 -0.477 0.000 2.481 23 V HA 0.570 4.932 4.120 0.404 0.000 0.286 23 V C -0.672 175.132 176.094 -0.483 0.000 1.042 23 V CA -0.630 61.374 62.300 -0.493 0.000 0.928 23 V CB 0.737 32.136 31.823 -0.707 0.000 0.986 23 V HN 0.758 nan 8.190 nan 0.000 0.462 24 F N 3.005 122.942 119.950 -0.022 0.000 2.551 24 F HA 0.605 5.374 4.527 0.404 0.000 0.316 24 F C 0.110 176.002 175.800 0.153 0.000 1.089 24 F CA -0.690 57.338 58.000 0.048 0.000 0.915 24 F CB 1.981 41.005 39.000 0.039 0.000 1.186 24 F HN 0.246 nan 8.300 nan 0.000 0.456 25 K N 3.484 124.043 120.400 0.265 0.000 2.324 25 K HA 0.515 5.078 4.320 0.404 0.000 0.253 25 K C -2.894 173.817 176.600 0.184 0.000 0.932 25 K CA -2.141 54.278 56.287 0.220 0.000 0.799 25 K CB 2.266 34.834 32.500 0.113 0.000 1.154 25 K HN 0.181 nan 8.250 nan 0.000 0.425 26 P HA -0.052 nan 4.420 nan 0.000 0.267 26 P C 0.420 177.752 177.300 0.053 0.000 1.200 26 P CA 0.188 63.342 63.100 0.089 0.000 0.772 26 P CB 0.584 32.337 31.700 0.088 0.000 0.855 27 T N -1.252 113.314 114.554 0.019 0.000 3.088 27 T HA 0.020 4.613 4.350 0.404 0.000 0.259 27 T C 0.368 175.155 174.700 0.145 0.000 1.122 27 T CA 0.713 62.852 62.100 0.065 0.000 1.095 27 T CB -0.809 68.100 68.868 0.069 0.000 0.930 27 T HN 0.743 nan 8.240 nan 0.000 0.508 28 H N -1.565 117.542 119.070 0.062 0.000 3.060 28 H HA 0.558 5.356 4.556 0.404 0.000 0.330 28 H C -0.956 174.416 175.328 0.073 0.000 1.305 28 H CA -1.141 54.943 56.048 0.060 0.000 1.209 28 H CB 0.467 30.258 29.762 0.048 0.000 1.913 28 H HN 0.136 nan 8.280 nan 0.000 0.534 29 E N 2.174 122.485 120.200 0.186 0.000 2.708 29 E HA 0.014 4.607 4.350 0.404 0.000 0.260 29 E C -0.557 176.077 176.600 0.057 0.000 0.937 29 E CA 0.273 56.748 56.400 0.125 0.000 0.953 29 E CB 0.328 30.120 29.700 0.154 0.000 0.915 29 E HN 0.505 nan 8.360 nan 0.000 0.487 30 I N 4.957 125.547 120.570 0.033 0.000 2.342 30 I HA 0.043 4.455 4.170 0.404 0.000 0.291 30 I C 0.732 176.899 176.117 0.084 0.000 1.010 30 I CA -0.552 60.769 61.300 0.035 0.000 1.308 30 I CB 1.234 39.277 38.000 0.072 0.000 1.400 30 I HN 0.569 nan 8.210 nan 0.000 0.488 31 Q N 6.227 126.080 119.800 0.089 0.000 2.308 31 Q HA -0.071 4.511 4.340 0.404 0.000 0.313 31 Q C 0.975 177.022 176.000 0.078 0.000 1.075 31 Q CA 0.509 56.361 55.803 0.081 0.000 0.995 31 Q CB 0.844 29.626 28.738 0.073 0.000 1.107 31 Q HN 0.548 nan 8.270 nan 0.000 0.380 32 K N 2.961 123.404 120.400 0.072 0.000 2.063 32 K HA -0.209 4.354 4.320 0.404 0.000 0.208 32 K C 1.174 177.823 176.600 0.081 0.000 1.048 32 K CA 1.711 58.044 56.287 0.077 0.000 0.928 32 K CB 0.098 32.638 32.500 0.066 0.000 0.713 32 K HN 0.545 nan 8.250 nan 0.000 0.442 33 E N 1.047 121.286 120.200 0.066 0.000 2.511 33 E HA -0.032 4.561 4.350 0.404 0.000 0.196 33 E C 0.940 177.585 176.600 0.075 0.000 1.066 33 E CA 0.626 57.066 56.400 0.066 0.000 0.871 33 E CB -0.013 29.713 29.700 0.042 0.000 0.863 33 E HN 0.253 nan 8.360 nan 0.000 0.520 34 K N 0.221 120.670 120.400 0.081 0.000 2.404 34 K HA 0.201 4.764 4.320 0.404 0.000 0.194 34 K C 1.320 177.998 176.600 0.131 0.000 1.023 34 K CA -0.052 56.289 56.287 0.090 0.000 1.094 34 K CB 0.193 32.735 32.500 0.070 0.000 0.841 34 K HN 0.137 nan 8.250 nan 0.000 0.523 35 L N 0.855 122.168 121.223 0.149 0.000 2.109 35 L HA -0.162 4.420 4.340 0.404 0.000 0.207 35 L C 1.670 178.693 176.870 0.256 0.000 1.086 35 L CA 1.002 55.969 54.840 0.211 0.000 0.760 35 L CB -0.155 42.009 42.059 0.175 0.000 0.910 35 L HN 0.240 nan 8.230 nan 0.000 0.437 36 N N 0.015 118.839 118.700 0.208 0.000 2.207 36 N HA -0.115 4.867 4.740 0.404 0.000 0.182 36 N C 1.671 177.339 175.510 0.263 0.000 1.020 36 N CA 0.910 54.097 53.050 0.229 0.000 0.858 36 N CB -0.040 38.555 38.487 0.180 0.000 0.991 36 N HN 0.290 nan 8.380 nan 0.000 0.427 37 K N 0.604 121.138 120.400 0.223 0.000 2.044 37 K HA -0.069 4.493 4.320 0.404 0.000 0.210 37 K C 1.970 178.714 176.600 0.239 0.000 1.049 37 K CA 1.046 57.485 56.287 0.254 0.000 0.927 37 K CB -0.485 32.124 32.500 0.181 0.000 0.713 37 K HN -0.030 nan 8.250 nan 0.000 0.443 38 V N 1.892 121.895 119.914 0.148 0.000 2.287 38 V HA -0.256 4.107 4.120 0.404 0.000 0.248 38 V C 2.615 178.677 176.094 -0.054 0.000 1.053 38 V CA 1.770 64.071 62.300 0.001 0.000 1.027 38 V CB -0.571 31.223 31.823 -0.047 0.000 0.646 38 V HN 0.368 nan 8.190 nan 0.000 0.447 39 R N -0.745 119.864 120.500 0.181 0.000 2.070 39 R HA -0.233 4.350 4.340 0.404 0.000 0.233 39 R C 2.362 178.815 176.300 0.255 0.000 1.137 39 R CA 2.300 58.574 56.100 0.291 0.000 0.945 39 R CB -0.609 29.977 30.300 0.476 0.000 0.845 39 R HN 0.748 nan 8.270 nan 0.000 0.430 40 W N 1.772 123.153 121.300 0.135 0.000 2.290 40 W HA -0.323 4.581 4.660 0.405 0.000 0.323 40 W C 1.833 178.410 176.519 0.097 0.000 1.260 40 W CA 1.892 59.330 57.345 0.154 0.000 1.266 40 W CB -0.360 29.176 29.460 0.127 0.000 1.149 40 W HN 0.164 nan 8.180 nan 0.000 0.482 41 R N -0.044 120.362 120.500 -0.155 0.000 2.081 41 R HA -0.177 4.406 4.340 0.404 0.000 0.235 41 R C 2.214 178.307 176.300 -0.345 0.000 1.131 41 R CA 2.170 58.062 56.100 -0.346 0.000 0.960 41 R CB -0.858 29.342 30.300 -0.167 0.000 0.856 41 R HN 0.108 nan 8.270 nan 0.000 0.436 42 V N 0.614 120.370 119.914 -0.265 0.000 2.332 42 V HA -0.268 4.094 4.120 0.404 0.000 0.248 42 V C 1.909 177.866 176.094 -0.228 0.000 1.055 42 V CA 1.915 64.041 62.300 -0.290 0.000 1.038 42 V CB -0.541 31.108 31.823 -0.290 0.000 0.651 42 V HN 0.321 nan 8.190 nan 0.000 0.450 43 F N -0.084 119.685 119.950 -0.302 0.000 2.502 43 F HA -0.033 4.737 4.527 0.404 0.000 0.298 43 F C 1.774 177.327 175.800 -0.411 0.000 1.111 43 F CA 1.225 59.046 58.000 -0.298 0.000 1.445 43 F CB -0.185 38.696 39.000 -0.198 0.000 1.081 43 F HN 0.042 nan 8.300 nan 0.000 0.558 44 L N -0.199 120.506 121.223 -0.863 0.000 2.049 44 L HA -0.131 4.452 4.340 0.404 0.000 0.203 44 L C 2.564 179.080 176.870 -0.590 0.000 1.074 44 L CA 1.012 55.304 54.840 -0.915 0.000 0.749 44 L CB -1.067 40.489 42.059 -0.838 0.000 0.907 44 L HN 0.131 nan 8.230 nan 0.000 0.439 45 Q N 0.077 119.611 119.800 -0.443 0.000 1.948 45 Q HA -0.195 4.388 4.340 0.404 0.000 0.205 45 Q C 2.134 177.955 176.000 -0.298 0.000 0.992 45 Q CA 2.268 57.878 55.803 -0.321 0.000 0.849 45 Q CB -0.787 27.784 28.738 -0.279 0.000 0.918 45 Q HN 0.467 nan 8.270 nan 0.000 0.421 46 T N -0.272 114.105 114.554 -0.295 0.000 2.680 46 T HA -0.196 4.396 4.350 0.404 0.000 0.268 46 T C 1.493 176.060 174.700 -0.223 0.000 1.033 46 T CA 1.712 63.676 62.100 -0.228 0.000 1.152 46 T CB -0.780 67.975 68.868 -0.189 0.000 0.859 46 T HN 0.746 nan 8.240 nan 0.000 0.452 47 G N 0.764 109.365 108.800 -0.332 0.000 2.189 47 G HA2 -0.257 3.945 3.960 0.404 0.000 0.267 47 G HA3 -0.257 3.945 3.960 0.404 0.000 0.267 47 G C 0.022 174.818 174.900 -0.175 0.000 0.975 47 G CA 0.255 45.154 45.100 -0.334 0.000 0.644 47 G HN 0.562 nan 8.290 nan 0.000 0.537 48 L N 0.714 121.885 121.223 -0.088 0.000 2.322 48 L HA 0.460 5.042 4.340 0.404 0.000 0.281 48 L C -2.040 174.886 176.870 0.093 0.000 1.014 48 L CA -2.493 52.324 54.840 -0.038 0.000 0.815 48 L CB 1.970 43.983 42.059 -0.077 0.000 1.247 48 L HN -0.194 nan 8.230 nan 0.000 0.421 49 P HA -0.003 nan 4.420 nan 0.000 0.266 49 P C -0.913 176.382 177.300 -0.010 0.000 1.186 49 P CA 0.381 63.370 63.100 -0.185 0.000 0.767 49 P CB 0.483 31.870 31.700 -0.521 0.000 0.820 50 T N 2.840 117.424 114.554 0.050 0.000 2.952 50 T HA 0.618 5.210 4.350 0.404 0.000 0.305 50 T C -0.716 174.143 174.700 0.265 0.000 1.064 50 T CA -0.347 61.846 62.100 0.154 0.000 1.008 50 T CB 0.505 69.489 68.868 0.194 0.000 1.078 50 T HN 0.234 nan 8.240 nan 0.000 0.459 51 F N 0.076 120.235 119.950 0.348 0.000 2.598 51 F HA 0.831 5.601 4.527 0.404 0.000 0.327 51 F C -0.242 175.715 175.800 0.263 0.000 1.057 51 F CA -1.639 56.515 58.000 0.257 0.000 0.957 51 F CB 1.331 40.453 39.000 0.204 0.000 1.278 51 F HN 0.413 nan 8.300 nan 0.000 0.484 52 R N 1.757 122.486 120.500 0.381 0.000 2.346 52 R HA 0.484 5.066 4.340 0.404 0.000 0.311 52 R C -0.930 175.448 176.300 0.129 0.000 0.983 52 R CA -0.797 55.341 56.100 0.063 0.000 0.880 52 R CB 0.943 31.210 30.300 -0.054 0.000 1.100 52 R HN 0.773 nan 8.270 nan 0.000 0.453 53 R N 4.176 124.704 120.500 0.045 0.000 2.363 53 R HA 0.117 4.700 4.340 0.404 0.000 0.297 53 R C -0.269 176.056 176.300 0.042 0.000 1.208 53 R CA -0.278 55.861 56.100 0.065 0.000 1.121 53 R CB 0.770 31.100 30.300 0.050 0.000 1.124 53 R HN 0.896 nan 8.270 nan 0.000 0.561 54 E N 0.678 120.888 120.200 0.017 0.000 3.229 54 E HA -0.293 4.299 4.350 0.404 0.000 0.354 54 E C 0.421 177.001 176.600 -0.032 0.000 1.487 54 E CA 1.901 58.310 56.400 0.016 0.000 1.617 54 E CB -0.647 29.081 29.700 0.047 0.000 1.768 54 E HN 0.780 nan 8.360 nan 0.000 0.497 55 D N 2.500 122.901 120.400 0.002 0.000 2.324 55 D HA 0.029 4.911 4.640 0.404 0.000 0.235 55 D C 0.143 176.416 176.300 -0.044 0.000 1.095 55 D CA 0.577 54.571 54.000 -0.009 0.000 0.871 55 D CB 0.101 40.933 40.800 0.054 0.000 0.906 55 D HN 0.275 nan 8.370 nan 0.000 0.522 56 E N -0.818 119.328 120.200 -0.090 0.000 2.320 56 E HA 0.516 5.109 4.350 0.404 0.000 0.264 56 E C -1.304 175.232 176.600 -0.106 0.000 0.923 56 E CA -0.848 55.569 56.400 0.030 0.000 0.796 56 E CB 1.776 31.612 29.700 0.227 0.000 1.262 56 E HN -0.060 nan 8.360 nan 0.000 0.428 57 F N 0.900 121.041 119.950 0.318 0.000 2.493 57 F HA 0.397 5.167 4.527 0.404 0.000 0.329 57 F C -0.929 175.059 175.800 0.313 0.000 1.126 57 F CA -0.583 57.605 58.000 0.313 0.000 0.937 57 F CB 1.059 40.183 39.000 0.207 0.000 1.146 57 F HN 0.301 nan 8.300 nan 0.000 0.442 58 W N 3.580 124.900 121.300 0.034 0.000 2.318 58 W HA 0.552 5.455 4.660 0.405 0.000 0.315 58 W C -1.139 175.368 176.519 -0.020 0.000 1.033 58 W CA -1.106 56.178 57.345 -0.101 0.000 1.275 58 W CB 1.486 30.521 29.460 -0.709 0.000 1.250 58 W HN 0.339 nan 8.180 nan 0.000 0.421 59 C N 3.024 122.472 119.300 0.246 0.000 2.273 59 C HA 0.602 5.305 4.460 0.404 0.000 0.328 59 C C 1.211 176.077 174.990 -0.207 0.000 1.275 59 C CA -0.963 58.098 59.018 0.072 0.000 1.704 59 C CB 0.031 27.835 27.740 0.106 0.000 2.326 59 C HN 0.766 nan 8.230 nan 0.000 0.517 60 A N 3.140 125.641 122.820 -0.532 0.000 3.004 60 A HA 0.554 5.116 4.320 0.404 0.000 0.252 60 A C 0.905 178.269 177.584 -0.367 0.000 1.802 60 A CA 0.671 52.141 52.037 -0.946 0.000 1.424 60 A CB -0.942 17.699 19.000 -0.598 0.000 1.005 60 A HN 1.327 nan 8.150 nan 0.000 0.631 61 G N -0.512 108.152 108.800 -0.226 0.000 2.490 61 G HA2 0.449 4.651 3.960 0.404 0.000 0.308 61 G HA3 0.449 4.651 3.960 0.404 0.000 0.308 61 G C -1.303 173.586 174.900 -0.019 0.000 1.286 61 G CA -0.880 44.174 45.100 -0.077 0.000 0.825 61 G HN 0.217 nan 8.290 nan 0.000 0.479 62 K N 0.052 120.455 120.400 0.005 0.000 2.213 62 K HA 0.648 5.210 4.320 0.404 0.000 0.270 62 K C -0.361 176.257 176.600 0.030 0.000 1.002 62 K CA -0.432 55.866 56.287 0.019 0.000 0.868 62 K CB 1.907 34.418 32.500 0.018 0.000 1.093 62 K HN 0.298 nan 8.250 nan 0.000 0.454 63 V N 2.439 122.387 119.914 0.056 0.000 3.093 63 V HA 0.258 4.620 4.120 0.404 0.000 0.320 63 V C 0.622 176.752 176.094 0.060 0.000 1.093 63 V CA -0.508 61.847 62.300 0.092 0.000 1.016 63 V CB 1.816 33.793 31.823 0.258 0.000 1.096 63 V HN 0.856 nan 8.190 nan 0.000 0.452 64 E N -0.421 119.815 120.200 0.061 0.000 2.354 64 E HA 0.180 4.772 4.350 0.404 0.000 0.203 64 E C 0.021 176.658 176.600 0.060 0.000 0.841 64 E CA -0.291 56.132 56.400 0.039 0.000 1.046 64 E CB 0.309 30.021 29.700 0.020 0.000 1.040 64 E HN 0.485 nan 8.360 nan 0.000 0.504 65 K N 2.799 123.246 120.400 0.079 0.000 2.325 65 K HA -0.158 4.404 4.320 0.404 0.000 0.258 65 K C -0.223 176.453 176.600 0.127 0.000 1.250 65 K CA 0.155 56.492 56.287 0.084 0.000 1.260 65 K CB 0.104 32.635 32.500 0.052 0.000 0.785 65 K HN 0.168 nan 8.250 nan 0.000 0.501 66 D N 1.262 121.700 120.400 0.063 0.000 2.177 66 D HA -0.147 4.736 4.640 0.404 0.000 0.189 66 D C 0.641 176.982 176.300 0.068 0.000 1.002 66 D CA 1.567 55.590 54.000 0.039 0.000 0.845 66 D CB 0.173 40.983 40.800 0.018 0.000 0.960 66 D HN 0.473 nan 8.370 nan 0.000 0.447 67 T N -0.928 113.638 114.554 0.020 0.000 2.938 67 T HA 0.640 5.232 4.350 0.404 0.000 0.285 67 T C -0.791 173.818 174.700 -0.152 0.000 1.028 67 T CA -0.640 61.400 62.100 -0.101 0.000 1.005 67 T CB 1.852 70.554 68.868 -0.277 0.000 1.157 67 T HN -0.091 nan 8.240 nan 0.000 0.550 68 L N 1.593 122.595 121.223 -0.368 0.000 2.737 68 L HA 0.401 4.984 4.340 0.404 0.000 0.261 68 L C -2.025 174.612 176.870 -0.388 0.000 0.949 68 L CA -0.402 54.240 54.840 -0.330 0.000 0.952 68 L CB 1.053 42.841 42.059 -0.452 0.000 1.337 68 L HN 0.641 nan 8.230 nan 0.000 0.430 69 Y N 4.982 125.208 120.300 -0.124 0.000 2.330 69 Y HA 0.729 5.522 4.550 0.404 0.000 0.336 69 Y C -0.230 175.589 175.900 -0.135 0.000 1.036 69 Y CA -0.597 57.439 58.100 -0.107 0.000 1.125 69 Y CB 1.413 39.829 38.460 -0.073 0.000 1.194 69 Y HN 0.329 nan 8.280 nan 0.000 0.469 70 L N 2.793 124.016 121.223 0.001 0.000 2.362 70 L HA 0.651 5.233 4.340 0.404 0.000 0.271 70 L C -0.412 176.444 176.870 -0.022 0.000 1.002 70 L CA -0.812 53.993 54.840 -0.058 0.000 0.818 70 L CB 2.187 44.166 42.059 -0.133 0.000 1.298 70 L HN 0.505 nan 8.230 nan 0.000 0.420 71 T N 3.303 117.838 114.554 -0.032 0.000 2.770 71 T HA 0.583 5.175 4.350 0.404 0.000 0.283 71 T C 0.039 174.729 174.700 -0.018 0.000 0.988 71 T CA -0.390 61.695 62.100 -0.025 0.000 0.957 71 T CB 1.051 69.895 68.868 -0.039 0.000 0.930 71 T HN 0.274 nan 8.240 nan 0.000 0.443 72 L N 1.881 123.099 121.223 -0.009 0.000 2.469 72 L HA 0.326 4.909 4.340 0.404 0.000 0.253 72 L C 2.202 179.062 176.870 -0.018 0.000 1.143 72 L CA -0.591 54.253 54.840 0.006 0.000 0.804 72 L CB 0.515 42.581 42.059 0.011 0.000 1.214 72 L HN 0.767 nan 8.230 nan 0.000 0.476 73 S N -0.631 115.061 115.700 -0.013 0.000 2.383 73 S HA -0.205 4.508 4.470 0.404 0.000 0.229 73 S C 1.312 175.852 174.600 -0.100 0.000 1.030 73 S CA 1.501 59.666 58.200 -0.058 0.000 1.002 73 S CB -0.631 62.541 63.200 -0.047 0.000 0.829 73 S HN 0.711 nan 8.310 nan 0.000 0.467 74 N N 1.948 120.603 118.700 -0.076 0.000 2.192 74 N HA -0.085 4.898 4.740 0.404 0.000 0.188 74 N C 1.573 177.029 175.510 -0.090 0.000 1.013 74 N CA 1.410 54.412 53.050 -0.081 0.000 0.863 74 N CB -0.649 37.808 38.487 -0.050 0.000 0.990 74 N HN 0.783 nan 8.380 nan 0.000 0.430 75 G N 1.100 109.853 108.800 -0.080 0.000 2.201 75 G HA2 -0.272 3.930 3.960 0.404 0.000 0.212 75 G HA3 -0.272 3.930 3.960 0.404 0.000 0.212 75 G C -0.048 174.825 174.900 -0.046 0.000 0.994 75 G CA 0.167 45.221 45.100 -0.076 0.000 0.644 75 G HN 0.485 nan 8.290 nan 0.000 0.508 76 E N 0.515 120.697 120.200 -0.030 0.000 2.413 76 E HA 0.405 4.998 4.350 0.404 0.000 0.263 76 E C -0.011 176.592 176.600 0.004 0.000 1.015 76 E CA -0.072 56.326 56.400 -0.004 0.000 0.916 76 E CB 0.182 29.886 29.700 0.007 0.000 0.947 76 E HN 0.385 nan 8.360 nan 0.000 0.440 77 I N 5.353 125.939 120.570 0.026 0.000 2.410 77 I HA 0.191 4.604 4.170 0.404 0.000 0.286 77 I C -0.705 175.448 176.117 0.060 0.000 1.009 77 I CA -1.104 60.223 61.300 0.044 0.000 1.111 77 I CB 1.651 39.685 38.000 0.055 0.000 1.262 77 I HN 0.297 nan 8.210 nan 0.000 0.443 78 V N 2.487 122.415 119.914 0.025 0.000 2.427 78 V HA 0.511 4.873 4.120 0.404 0.000 0.286 78 V C -0.163 175.913 176.094 -0.030 0.000 1.034 78 V CA -0.652 61.636 62.300 -0.019 0.000 0.893 78 V CB 1.568 33.349 31.823 -0.070 0.000 0.982 78 V HN 0.759 nan 8.190 nan 0.000 0.452 79 E N 3.751 123.928 120.200 -0.038 0.000 2.175 79 E HA 0.631 5.224 4.350 0.404 0.000 0.278 79 E C -1.487 175.033 176.600 -0.134 0.000 0.969 79 E CA -0.724 55.596 56.400 -0.134 0.000 0.796 79 E CB 1.714 31.363 29.700 -0.086 0.000 1.104 79 E HN 0.761 nan 8.360 nan 0.000 0.395 80 L N 3.882 124.997 121.223 -0.181 0.000 2.329 80 L HA 0.483 5.065 4.340 0.404 0.000 0.279 80 L C -0.044 176.847 176.870 0.035 0.000 1.014 80 L CA -0.769 54.048 54.840 -0.038 0.000 0.814 80 L CB 1.675 43.695 42.059 -0.065 0.000 1.257 80 L HN 0.325 nan 8.230 nan 0.000 0.424 81 K N 1.935 122.399 120.400 0.108 0.000 2.123 81 K HA 0.436 4.998 4.320 0.404 0.000 0.259 81 K C -0.455 176.198 176.600 0.088 0.000 0.960 81 K CA -0.875 55.460 56.287 0.080 0.000 0.872 81 K CB 1.832 34.341 32.500 0.015 0.000 1.079 81 K HN 0.417 nan 8.250 nan 0.000 0.440 82 R N 2.292 122.732 120.500 -0.098 0.000 2.296 82 R HA 0.036 4.619 4.340 0.404 0.000 0.323 82 R C 0.698 176.790 176.300 -0.348 0.000 1.067 82 R CA -0.104 55.648 56.100 -0.580 0.000 0.946 82 R CB 0.463 30.471 30.300 -0.487 0.000 0.991 82 R HN 0.469 nan 8.270 nan 0.000 0.448 83 V N 3.868 123.561 119.914 -0.368 0.000 2.488 83 V HA 0.149 4.512 4.120 0.404 0.000 0.246 83 V C 1.024 176.982 176.094 -0.227 0.000 1.046 83 V CA 1.976 64.144 62.300 -0.221 0.000 1.053 83 V CB -0.110 31.608 31.823 -0.175 0.000 0.679 83 V HN 1.113 nan 8.190 nan 0.000 0.458 84 G N -0.733 107.877 108.800 -0.318 0.000 2.353 84 G HA2 -0.011 4.192 3.960 0.404 0.000 0.424 84 G HA3 -0.011 4.192 3.960 0.404 0.000 0.424 84 G C -1.036 173.706 174.900 -0.264 0.000 1.320 84 G CA -0.829 44.122 45.100 -0.247 0.000 0.995 84 G HN 0.204 nan 8.290 nan 0.000 0.580 85 E N 0.385 120.476 120.200 -0.180 0.000 2.360 85 E HA 0.410 5.002 4.350 0.404 0.000 0.269 85 E C -0.045 176.462 176.600 -0.154 0.000 1.022 85 E CA 0.219 56.531 56.400 -0.147 0.000 0.887 85 E CB 1.215 30.877 29.700 -0.063 0.000 0.990 85 E HN 0.445 nan 8.360 nan 0.000 0.426 86 E N 1.664 121.738 120.200 -0.210 0.000 2.336 86 E HA 0.259 4.851 4.350 0.404 0.000 0.267 86 E C -0.985 175.612 176.600 -0.005 0.000 0.906 86 E CA -0.771 55.529 56.400 -0.167 0.000 0.781 86 E CB 1.975 31.463 29.700 -0.352 0.000 1.261 86 E HN 0.303 nan 8.360 nan 0.000 0.436 87 E N 0.638 120.903 120.200 0.108 0.000 2.250 87 E HA 0.356 4.948 4.350 0.404 0.000 0.269 87 E C -1.651 175.128 176.600 0.300 0.000 1.018 87 E CA -0.526 55.987 56.400 0.188 0.000 0.873 87 E CB 0.825 30.594 29.700 0.114 0.000 1.134 87 E HN 0.271 nan 8.360 nan 0.000 0.403 88 F N 2.701 122.695 119.950 0.073 0.000 2.444 88 F HA 0.450 5.220 4.527 0.404 0.000 0.342 88 F C 0.360 176.098 175.800 -0.104 0.000 1.121 88 F CA -0.335 57.635 58.000 -0.050 0.000 0.997 88 F CB 0.995 39.778 39.000 -0.362 0.000 1.130 88 F HN 0.466 nan 8.300 nan 0.000 0.454 89 R N 2.938 122.819 120.500 -1.031 0.000 2.167 89 R HA 0.469 5.052 4.340 0.404 0.000 0.195 89 R C 0.372 175.889 176.300 -1.305 0.000 1.027 89 R CA 0.159 55.702 56.100 -0.928 0.000 1.114 89 R CB 0.527 30.570 30.300 -0.429 0.000 1.075 89 R HN 0.781 nan 8.270 nan 0.000 0.538 90 G N -0.594 107.485 108.800 -1.201 0.000 2.708 90 G HA2 0.504 4.707 3.960 0.404 0.000 0.289 90 G HA3 0.504 4.707 3.960 0.404 0.000 0.289 90 G C -1.315 173.325 174.900 -0.434 0.000 1.416 90 G CA -0.793 43.833 45.100 -0.790 0.000 0.829 90 G HN -0.032 nan 8.290 nan 0.000 0.480 91 F N 0.370 120.403 119.950 0.137 0.000 2.384 91 F HA 0.291 5.061 4.527 0.405 0.000 0.338 91 F C 1.934 177.770 175.800 0.059 0.000 1.103 91 F CA -0.529 57.479 58.000 0.015 0.000 1.157 91 F CB 1.817 40.780 39.000 -0.062 0.000 1.167 91 F HN 0.412 nan 8.300 nan 0.000 0.529 92 Q N 1.389 121.282 119.800 0.155 0.000 2.187 92 Q HA 0.001 4.583 4.340 0.404 0.000 0.199 92 Q C -0.379 175.738 176.000 0.194 0.000 0.957 92 Q CA 0.862 56.740 55.803 0.124 0.000 0.857 92 Q CB -0.130 28.635 28.738 0.046 0.000 0.929 92 Q HN 0.781 nan 8.270 nan 0.000 0.453 93 N N -1.324 117.465 118.700 0.148 0.000 3.039 93 N HA -0.000 4.982 4.740 0.404 0.000 0.257 93 N C 0.011 175.398 175.510 -0.206 0.000 1.497 93 N CA -0.623 52.489 53.050 0.103 0.000 0.861 93 N CB 0.371 38.892 38.487 0.056 0.000 1.479 93 N HN -0.087 nan 8.380 nan 0.000 0.547 94 E N -0.238 119.836 120.200 -0.210 0.000 2.204 94 E HA -0.199 4.393 4.350 0.404 0.000 0.194 94 E C 1.249 177.621 176.600 -0.380 0.000 0.989 94 E CA 0.584 56.703 56.400 -0.469 0.000 0.824 94 E CB 0.132 29.724 29.700 -0.181 0.000 0.756 94 E HN 0.552 nan 8.360 nan 0.000 0.477 95 R N 1.354 121.733 120.500 -0.203 0.000 2.082 95 R HA -0.170 4.412 4.340 0.404 0.000 0.234 95 R C 2.151 178.347 176.300 -0.173 0.000 1.136 95 R CA 2.030 58.054 56.100 -0.126 0.000 0.935 95 R CB -0.193 30.085 30.300 -0.036 0.000 0.842 95 R HN 0.281 nan 8.270 nan 0.000 0.430 96 E N -0.118 119.960 120.200 -0.204 0.000 2.108 96 E HA -0.328 4.264 4.350 0.404 0.000 0.203 96 E C 2.181 178.425 176.600 -0.594 0.000 1.022 96 E CA 1.796 58.020 56.400 -0.294 0.000 0.823 96 E CB -0.493 28.957 29.700 -0.416 0.000 0.744 96 E HN 0.446 nan 8.360 nan 0.000 0.456 97 C N 0.908 119.630 119.300 -0.964 0.000 2.453 97 C HA -0.133 4.570 4.460 0.404 0.000 0.277 97 C C 2.785 177.482 174.990 -0.488 0.000 1.262 97 C CA 1.072 59.326 59.018 -1.274 0.000 1.718 97 C CB -0.810 26.123 27.740 -1.345 0.000 2.031 97 C HN 0.432 nan 8.230 nan 0.000 0.480 98 Q N 0.262 119.853 119.800 -0.349 0.000 2.045 98 Q HA -0.253 4.329 4.340 0.404 0.000 0.206 98 Q C 2.198 178.174 176.000 -0.040 0.000 0.991 98 Q CA 2.392 58.106 55.803 -0.148 0.000 0.851 98 Q CB -0.215 28.451 28.738 -0.119 0.000 0.911 98 Q HN 0.737 nan 8.270 nan 0.000 0.418 99 E N 0.070 120.248 120.200 -0.037 0.000 2.021 99 E HA -0.250 4.342 4.350 0.404 0.000 0.200 99 E C 2.064 178.704 176.600 0.067 0.000 1.015 99 E CA 1.453 57.883 56.400 0.049 0.000 0.824 99 E CB -0.239 29.541 29.700 0.135 0.000 0.762 99 E HN 0.243 nan 8.360 nan 0.000 0.454 100 L N 0.270 121.592 121.223 0.166 0.000 2.083 100 L HA -0.163 4.419 4.340 0.404 0.000 0.209 100 L C 2.168 179.194 176.870 0.260 0.000 1.083 100 L CA 1.328 56.351 54.840 0.304 0.000 0.752 100 L CB -0.319 42.089 42.059 0.582 0.000 0.899 100 L HN 0.107 nan 8.230 nan 0.000 0.433 101 F N 0.275 120.193 119.950 -0.053 0.000 2.051 101 F HA -0.222 4.547 4.527 0.404 0.000 0.296 101 F C 2.563 178.158 175.800 -0.342 0.000 1.122 101 F CA 1.640 59.372 58.000 -0.447 0.000 1.201 101 F CB -0.343 38.255 39.000 -0.671 0.000 0.978 101 F HN -0.037 nan 8.300 nan 0.000 0.472 102 R N 0.386 120.778 120.500 -0.180 0.000 2.112 102 R HA -0.224 4.359 4.340 0.404 0.000 0.242 102 R C 1.813 177.899 176.300 -0.356 0.000 1.137 102 R CA 1.915 57.856 56.100 -0.264 0.000 0.944 102 R CB -1.282 28.960 30.300 -0.097 0.000 0.857 102 R HN 0.335 nan 8.270 nan 0.000 0.435 103 D N 0.129 120.296 120.400 -0.388 0.000 2.158 103 D HA -0.162 4.720 4.640 0.404 0.000 0.197 103 D C 1.790 177.789 176.300 -0.501 0.000 0.995 103 D CA 1.176 54.762 54.000 -0.690 0.000 0.846 103 D CB -0.368 39.804 40.800 -1.046 0.000 0.941 103 D HN 0.142 nan 8.370 nan 0.000 0.456 104 F N 0.584 120.261 119.950 -0.455 0.000 2.075 104 F HA -0.116 4.653 4.527 0.404 0.000 0.297 104 F C 2.410 177.883 175.800 -0.545 0.000 1.113 104 F CA 0.708 58.426 58.000 -0.471 0.000 1.218 104 F CB -0.349 38.337 39.000 -0.523 0.000 0.984 104 F HN -0.076 nan 8.300 nan 0.000 0.472 105 L N -0.601 120.293 121.223 -0.549 0.000 2.051 105 L HA -0.327 4.256 4.340 0.404 0.000 0.214 105 L C 2.330 179.035 176.870 -0.275 0.000 1.076 105 L CA 1.909 56.423 54.840 -0.543 0.000 0.758 105 L CB -1.247 40.414 42.059 -0.665 0.000 0.890 105 L HN 0.204 nan 8.230 nan 0.000 0.433 106 T N -1.019 113.420 114.554 -0.191 0.000 2.668 106 T HA -0.214 4.378 4.350 0.404 0.000 0.262 106 T C 1.952 176.650 174.700 -0.003 0.000 1.045 106 T CA 1.135 63.226 62.100 -0.014 0.000 1.152 106 T CB -0.149 68.825 68.868 0.175 0.000 0.864 106 T HN 0.205 nan 8.240 nan 0.000 0.419 107 K N 0.623 121.001 120.400 -0.036 0.000 2.103 107 K HA -0.144 4.419 4.320 0.404 0.000 0.207 107 K C 2.594 179.148 176.600 -0.078 0.000 1.048 107 K CA 1.800 58.057 56.287 -0.049 0.000 0.930 107 K CB -0.310 32.111 32.500 -0.131 0.000 0.716 107 K HN 0.554 nan 8.250 nan 0.000 0.444 108 T N -2.262 112.216 114.554 -0.126 0.000 3.043 108 T HA 0.024 4.617 4.350 0.404 0.000 0.263 108 T C 0.494 175.172 174.700 -0.037 0.000 1.094 108 T CA 0.606 62.651 62.100 -0.091 0.000 1.127 108 T CB -0.027 68.759 68.868 -0.136 0.000 0.905 108 T HN 0.246 nan 8.240 nan 0.000 0.490 109 K N -0.128 120.244 120.400 -0.045 0.000 3.299 109 K HA -0.143 4.419 4.320 0.404 0.000 0.284 109 K C 0.936 177.552 176.600 0.026 0.000 1.235 109 K CA 0.368 56.655 56.287 0.000 0.000 0.833 109 K CB -2.222 30.292 32.500 0.024 0.000 1.330 109 K HN 0.401 nan 8.250 nan 0.000 0.510 110 V N -0.734 119.176 119.914 -0.007 0.000 2.323 110 V HA -0.231 4.132 4.120 0.404 0.000 0.244 110 V C 2.335 178.531 176.094 0.170 0.000 1.041 110 V CA 1.862 64.204 62.300 0.069 0.000 1.025 110 V CB -0.373 31.468 31.823 0.030 0.000 0.656 110 V HN 0.351 nan 8.190 nan 0.000 0.451 111 K N 0.275 120.756 120.400 0.134 0.000 2.063 111 K HA -0.248 4.315 4.320 0.404 0.000 0.208 111 K C 1.904 178.637 176.600 0.222 0.000 1.048 111 K CA 2.027 58.452 56.287 0.228 0.000 0.928 111 K CB -0.283 32.299 32.500 0.136 0.000 0.713 111 K HN 0.495 nan 8.250 nan 0.000 0.442 112 D N 0.489 120.973 120.400 0.140 0.000 2.097 112 D HA -0.153 4.729 4.640 0.404 0.000 0.195 112 D C 1.784 178.167 176.300 0.138 0.000 0.989 112 D CA 1.230 55.302 54.000 0.119 0.000 0.827 112 D CB -0.041 40.806 40.800 0.078 0.000 0.966 112 D HN 0.171 nan 8.370 nan 0.000 0.456 113 K N -0.216 120.273 120.400 0.148 0.000 2.020 113 K HA -0.167 4.395 4.320 0.404 0.000 0.212 113 K C 2.050 178.776 176.600 0.210 0.000 1.050 113 K CA 1.004 57.385 56.287 0.157 0.000 0.929 113 K CB -0.391 32.199 32.500 0.150 0.000 0.714 113 K HN 0.054 nan 8.250 nan 0.000 0.443 114 F N 1.507 121.547 119.950 0.150 0.000 2.095 114 F HA -0.208 4.561 4.527 0.404 0.000 0.298 114 F C 1.678 177.623 175.800 0.241 0.000 1.104 114 F CA 1.470 59.586 58.000 0.193 0.000 1.232 114 F CB -0.208 38.885 39.000 0.155 0.000 0.987 114 F HN -0.020 nan 8.300 nan 0.000 0.475 115 I N -0.620 119.971 120.570 0.034 0.000 2.127 115 I HA -0.351 4.061 4.170 0.404 0.000 0.241 115 I C 2.599 178.825 176.117 0.182 0.000 1.075 115 I CA 1.529 62.850 61.300 0.034 0.000 1.334 115 I CB -1.044 37.050 38.000 0.157 0.000 1.040 115 I HN 0.124 nan 8.210 nan 0.000 0.405 116 S N 0.600 116.384 115.700 0.140 0.000 2.359 116 S HA -0.262 4.450 4.470 0.404 0.000 0.222 116 S C 1.629 176.311 174.600 0.137 0.000 1.038 116 S CA 2.048 60.327 58.200 0.133 0.000 1.051 116 S CB -0.400 62.849 63.200 0.080 0.000 0.944 116 S HN 0.417 nan 8.310 nan 0.000 0.433 117 D N 0.186 120.637 120.400 0.085 0.000 2.106 117 D HA -0.114 4.769 4.640 0.404 0.000 0.191 117 D C 1.562 177.874 176.300 0.020 0.000 0.997 117 D CA 0.983 55.019 54.000 0.061 0.000 0.834 117 D CB -0.390 40.476 40.800 0.110 0.000 0.956 117 D HN 0.355 nan 8.370 nan 0.000 0.448 118 F N -0.356 119.455 119.950 -0.232 0.000 2.202 118 F HA -0.230 4.540 4.527 0.405 0.000 0.301 118 F C 1.885 177.640 175.800 -0.074 0.000 1.082 118 F CA 1.281 59.140 58.000 -0.236 0.000 1.313 118 F CB -0.249 38.406 39.000 -0.575 0.000 1.024 118 F HN 0.032 nan 8.300 nan 0.000 0.495 119 Y N 0.306 120.630 120.300 0.039 0.000 2.130 119 Y HA -0.137 4.655 4.550 0.404 0.000 0.287 119 Y C 2.436 178.289 175.900 -0.078 0.000 1.124 119 Y CA 1.695 59.804 58.100 0.016 0.000 1.118 119 Y CB -0.632 37.864 38.460 0.060 0.000 0.994 119 Y HN -0.171 nan 8.280 nan 0.000 0.497 120 K N -0.049 120.399 120.400 0.080 0.000 2.207 120 K HA -0.292 4.271 4.320 0.404 0.000 0.208 120 K C 1.939 178.451 176.600 -0.148 0.000 1.046 120 K CA 1.791 58.064 56.287 -0.022 0.000 0.929 120 K CB -0.085 32.400 32.500 -0.026 0.000 0.720 120 K HN 0.174 nan 8.250 nan 0.000 0.463 121 K N -1.208 119.011 120.400 -0.302 0.000 2.365 121 K HA 0.085 4.647 4.320 0.404 0.000 0.195 121 K C 0.698 176.746 176.600 -0.919 0.000 1.079 121 K CA 0.440 56.350 56.287 -0.629 0.000 0.979 121 K CB 0.625 32.626 32.500 -0.833 0.000 0.929 121 K HN 0.051 nan 8.250 nan 0.000 0.523 122 F N -0.231 119.486 119.950 -0.388 0.000 2.781 122 F HA 0.284 5.054 4.527 0.405 0.000 0.322 122 F C 1.657 177.312 175.800 -0.241 0.000 1.108 122 F CA -0.462 57.310 58.000 -0.381 0.000 1.179 122 F CB 0.411 39.013 39.000 -0.664 0.000 1.072 122 F HN -0.167 nan 8.300 nan 0.000 0.545 123 R N 1.137 121.618 120.500 -0.032 0.000 2.165 123 R HA -0.253 4.330 4.340 0.404 0.000 0.254 123 R C 1.049 177.411 176.300 0.102 0.000 1.153 123 R CA 2.671 58.830 56.100 0.097 0.000 0.971 123 R CB -0.219 30.184 30.300 0.172 0.000 0.878 123 R HN 0.212 nan 8.270 nan 0.000 0.449 124 D N -0.491 119.946 120.400 0.061 0.000 2.137 124 D HA -0.077 4.806 4.640 0.404 0.000 0.202 124 D C 1.467 177.808 176.300 0.068 0.000 0.970 124 D CA 1.123 55.159 54.000 0.060 0.000 0.837 124 D CB 0.025 40.841 40.800 0.028 0.000 0.981 124 D HN 0.260 nan 8.370 nan 0.000 0.475 125 K N 0.066 120.514 120.400 0.079 0.000 2.504 125 K HA 0.092 4.655 4.320 0.404 0.000 0.195 125 K C 1.423 178.052 176.600 0.049 0.000 1.036 125 K CA 0.397 56.726 56.287 0.070 0.000 0.984 125 K CB 0.485 33.051 32.500 0.110 0.000 0.788 125 K HN 0.253 nan 8.250 nan 0.000 0.488 126 I N 0.550 121.165 120.570 0.074 0.000 3.968 126 I HA -0.030 4.383 4.170 0.404 0.000 0.328 126 I C 0.038 176.229 176.117 0.124 0.000 1.290 126 I CA 0.338 61.693 61.300 0.091 0.000 1.163 126 I CB 0.813 38.860 38.000 0.078 0.000 1.024 126 I HN -0.109 nan 8.210 nan 0.000 0.413 127 T N 2.289 116.927 114.554 0.140 0.000 2.797 127 T HA 0.543 5.135 4.350 0.404 0.000 0.279 127 T C -0.325 174.447 174.700 0.120 0.000 0.991 127 T CA -0.398 61.811 62.100 0.181 0.000 0.979 127 T CB 1.950 70.993 68.868 0.290 0.000 0.943 127 T HN -0.051 nan 8.240 nan 0.000 0.444 128 V N 1.099 121.070 119.914 0.096 0.000 3.102 128 V HA 0.717 5.080 4.120 0.404 0.000 0.312 128 V C -0.986 175.143 176.094 0.058 0.000 1.135 128 V CA -1.143 61.191 62.300 0.056 0.000 1.022 128 V CB 2.141 33.973 31.823 0.016 0.000 1.056 128 V HN 0.613 nan 8.190 nan 0.000 0.436 129 Q N 0.290 120.111 119.800 0.035 0.000 2.301 129 Q HA 0.806 5.388 4.340 0.404 0.000 0.267 129 Q C -0.231 175.774 176.000 0.008 0.000 1.035 129 Q CA -0.108 55.714 55.803 0.031 0.000 0.856 129 Q CB 2.282 31.038 28.738 0.029 0.000 1.337 129 Q HN 1.276 nan 8.270 nan 0.000 0.450 130 G N 0.096 108.899 108.800 0.004 0.000 2.704 130 G HA2 0.273 4.475 3.960 0.404 0.000 0.293 130 G HA3 0.273 4.475 3.960 0.404 0.000 0.293 130 G C 0.397 175.290 174.900 -0.013 0.000 1.421 130 G CA -0.440 44.652 45.100 -0.013 0.000 0.870 130 G HN 0.583 nan 8.290 nan 0.000 0.492 131 K N -0.082 120.307 120.400 -0.019 0.000 2.159 131 K HA -0.301 4.262 4.320 0.404 0.000 0.217 131 K C 1.077 177.666 176.600 -0.017 0.000 1.048 131 K CA 2.597 58.873 56.287 -0.018 0.000 0.941 131 K CB -0.085 32.401 32.500 -0.023 0.000 0.738 131 K HN 0.315 nan 8.250 nan 0.000 0.469 132 N N -1.013 117.672 118.700 -0.024 0.000 2.272 132 N HA 0.136 5.118 4.740 0.404 0.000 0.228 132 N C -0.198 175.305 175.510 -0.012 0.000 1.206 132 N CA -0.063 52.973 53.050 -0.023 0.000 0.855 132 N CB 0.844 39.306 38.487 -0.042 0.000 1.248 132 N HN 0.116 nan 8.380 nan 0.000 0.476 133 R N 0.669 121.161 120.500 -0.013 0.000 2.873 133 R HA 0.433 5.016 4.340 0.404 0.000 0.264 133 R C -0.618 175.705 176.300 0.039 0.000 1.026 133 R CA -0.464 55.640 56.100 0.008 0.000 1.002 133 R CB 1.984 32.271 30.300 -0.022 0.000 1.174 133 R HN -0.173 nan 8.270 nan 0.000 0.488 134 K N 1.284 121.742 120.400 0.097 0.000 2.123 134 K HA 0.539 5.101 4.320 0.404 0.000 0.248 134 K C -0.848 175.777 176.600 0.041 0.000 0.969 134 K CA -0.498 55.885 56.287 0.161 0.000 0.882 134 K CB 1.258 33.980 32.500 0.370 0.000 1.080 134 K HN 0.384 nan 8.250 nan 0.000 0.441 135 I N 2.044 122.600 120.570 -0.023 0.000 2.571 135 I HA 0.242 4.655 4.170 0.404 0.000 0.286 135 I C -1.013 174.981 176.117 -0.205 0.000 1.134 135 I CA -0.678 60.513 61.300 -0.182 0.000 1.052 135 I CB 1.962 39.898 38.000 -0.106 0.000 1.237 135 I HN 0.680 nan 8.210 nan 0.000 0.435 136 A N 7.806 130.375 122.820 -0.418 0.000 2.310 136 A HA 0.794 5.356 4.320 0.404 0.000 0.299 136 A C -0.735 176.816 177.584 -0.055 0.000 1.147 136 A CA -0.367 51.537 52.037 -0.222 0.000 0.818 136 A CB 0.641 19.417 19.000 -0.373 0.000 1.096 136 A HN 0.682 nan 8.150 nan 0.000 0.495 137 L N 3.665 124.933 121.223 0.076 0.000 2.295 137 L HA 0.429 5.011 4.340 0.404 0.000 0.281 137 L C -0.936 176.088 176.870 0.257 0.000 1.018 137 L CA -0.083 54.858 54.840 0.169 0.000 0.841 137 L CB 0.779 42.954 42.059 0.193 0.000 1.218 137 L HN 0.567 nan 8.230 nan 0.000 0.424 138 I N 5.279 125.947 120.570 0.163 0.000 2.336 138 I HA 0.335 4.747 4.170 0.404 0.000 0.292 138 I C -2.033 174.012 176.117 -0.121 0.000 0.991 138 I CA -2.027 59.339 61.300 0.109 0.000 1.227 138 I CB 1.795 39.871 38.000 0.128 0.000 1.366 138 I HN 0.319 nan 8.210 nan 0.000 0.466 139 P HA 0.122 nan 4.420 nan 0.000 0.276 139 P C -0.867 176.229 177.300 -0.341 0.000 1.243 139 P CA -0.132 62.542 63.100 -0.709 0.000 0.768 139 P CB 0.625 31.769 31.700 -0.927 0.000 0.856 140 E N 2.099 122.106 120.200 -0.321 0.000 2.081 140 E HA 0.299 4.891 4.350 0.404 0.000 0.276 140 E C -0.506 176.008 176.600 -0.143 0.000 0.950 140 E CA -0.903 55.400 56.400 -0.162 0.000 0.776 140 E CB 1.493 31.122 29.700 -0.118 0.000 1.094 140 E HN 0.217 nan 8.360 nan 0.000 0.402 141 V N 4.452 124.321 119.914 -0.074 0.000 2.509 141 V HA 0.288 4.651 4.120 0.404 0.000 0.284 141 V C 0.048 176.120 176.094 -0.037 0.000 1.047 141 V CA -0.551 61.710 62.300 -0.065 0.000 0.952 141 V CB 1.271 33.081 31.823 -0.021 0.000 0.988 141 V HN 0.626 nan 8.190 nan 0.000 0.469 142 N N 3.289 121.955 118.700 -0.057 0.000 2.287 142 N HA 0.555 5.537 4.740 0.404 0.000 0.289 142 N C -1.311 174.151 175.510 -0.081 0.000 1.066 142 N CA -0.651 52.360 53.050 -0.065 0.000 0.841 142 N CB 2.801 41.227 38.487 -0.102 0.000 1.599 142 N HN 0.702 nan 8.380 nan 0.000 0.476 143 E N 1.021 121.194 120.200 -0.045 0.000 2.246 143 E HA 0.474 5.067 4.350 0.404 0.000 0.266 143 E C -0.950 175.614 176.600 -0.060 0.000 0.880 143 E CA -0.589 55.795 56.400 -0.027 0.000 0.762 143 E CB 2.411 32.194 29.700 0.140 0.000 1.180 143 E HN 0.216 nan 8.360 nan 0.000 0.416 144 K N 1.006 121.346 120.400 -0.099 0.000 2.340 144 K HA 0.694 5.257 4.320 0.404 0.000 0.244 144 K C -1.022 175.556 176.600 -0.037 0.000 0.973 144 K CA -1.130 55.129 56.287 -0.046 0.000 0.828 144 K CB 2.316 34.814 32.500 -0.003 0.000 1.226 144 K HN 0.186 nan 8.250 nan 0.000 0.437 145 V N 3.778 123.650 119.914 -0.070 0.000 2.384 145 V HA 0.383 4.746 4.120 0.404 0.000 0.287 145 V C -0.403 175.673 176.094 -0.029 0.000 1.020 145 V CA -0.710 61.527 62.300 -0.105 0.000 0.850 145 V CB 0.866 32.540 31.823 -0.247 0.000 0.987 145 V HN 0.534 nan 8.190 nan 0.000 0.436 146 L N 3.883 125.134 121.223 0.047 0.000 2.304 146 L HA 0.699 5.281 4.340 0.404 0.000 0.268 146 L C -0.264 176.732 176.870 0.210 0.000 1.010 146 L CA -0.986 53.913 54.840 0.098 0.000 0.813 146 L CB 1.779 43.888 42.059 0.082 0.000 1.315 146 L HN 0.519 nan 8.230 nan 0.000 0.445 147 K N 0.829 121.363 120.400 0.224 0.000 2.394 147 K HA 0.404 4.966 4.320 0.404 0.000 0.260 147 K C -0.285 176.399 176.600 0.140 0.000 0.967 147 K CA -0.425 56.026 56.287 0.274 0.000 0.855 147 K CB 1.592 34.283 32.500 0.318 0.000 1.101 147 K HN 0.687 nan 8.250 nan 0.000 0.433 148 S N 2.159 117.930 115.700 0.118 0.000 2.617 148 S HA 0.007 4.720 4.470 0.404 0.000 0.259 148 S C 1.234 175.766 174.600 -0.114 0.000 1.301 148 S CA 0.041 58.265 58.200 0.039 0.000 0.984 148 S CB 1.299 64.560 63.200 0.103 0.000 0.954 148 S HN 0.884 nan 8.310 nan 0.000 0.572 149 E N 0.683 120.768 120.200 -0.192 0.000 2.070 149 E HA -0.254 4.339 4.350 0.404 0.000 0.197 149 E C 1.436 177.883 176.600 -0.255 0.000 1.004 149 E CA 1.909 58.188 56.400 -0.202 0.000 0.805 149 E CB -0.360 29.206 29.700 -0.222 0.000 0.744 149 E HN 0.810 nan 8.360 nan 0.000 0.451 150 E N -0.952 119.006 120.200 -0.404 0.000 2.338 150 E HA 0.044 4.637 4.350 0.404 0.000 0.197 150 E C 1.250 177.537 176.600 -0.522 0.000 1.007 150 E CA 0.890 56.979 56.400 -0.519 0.000 0.849 150 E CB 0.149 29.349 29.700 -0.833 0.000 0.774 150 E HN 0.526 nan 8.360 nan 0.000 0.506 151 G N -0.775 107.752 108.800 -0.455 0.000 2.184 151 G HA2 -0.269 3.933 3.960 0.404 0.000 0.206 151 G HA3 -0.269 3.933 3.960 0.404 0.000 0.206 151 G C -0.134 174.569 174.900 -0.328 0.000 0.995 151 G CA -0.226 44.682 45.100 -0.320 0.000 0.651 151 G HN 0.312 nan 8.290 nan 0.000 0.511 152 Y N 0.238 120.449 120.300 -0.149 0.000 2.597 152 Y HA 0.455 5.247 4.550 0.404 0.000 0.336 152 Y C 1.296 177.134 175.900 -0.104 0.000 1.216 152 Y CA -0.762 57.254 58.100 -0.141 0.000 1.463 152 Y CB 0.305 38.762 38.460 -0.004 0.000 1.303 152 Y HN 0.111 nan 8.280 nan 0.000 0.576 153 F N 2.399 122.499 119.950 0.250 0.000 2.406 153 F HA 0.401 5.170 4.527 0.404 0.000 0.327 153 F C -0.035 175.861 175.800 0.159 0.000 1.153 153 F CA -0.587 57.515 58.000 0.170 0.000 1.218 153 F CB 0.527 39.622 39.000 0.159 0.000 1.215 153 F HN 0.205 nan 8.300 nan 0.000 0.570 154 L N 3.279 124.691 121.223 0.314 0.000 2.470 154 L HA 0.340 4.922 4.340 0.404 0.000 0.268 154 L C -1.110 175.806 176.870 0.077 0.000 0.964 154 L CA -0.893 54.051 54.840 0.174 0.000 0.839 154 L CB 2.055 44.198 42.059 0.140 0.000 1.276 154 L HN 0.434 nan 8.230 nan 0.000 0.403 155 L N 3.426 124.673 121.223 0.040 0.000 2.313 155 L HA 0.318 4.901 4.340 0.404 0.000 0.282 155 L C -0.189 176.740 176.870 0.099 0.000 1.092 155 L CA 0.182 54.996 54.840 -0.043 0.000 0.831 155 L CB 0.221 42.197 42.059 -0.139 0.000 1.159 155 L HN 0.480 nan 8.230 nan 0.000 0.442 156 H N 5.824 124.866 119.070 -0.046 0.000 2.761 156 H HA 0.443 5.242 4.556 0.403 0.000 0.284 156 H C -1.441 173.891 175.328 0.007 0.000 1.105 156 H CA -0.670 55.360 56.048 -0.030 0.000 1.352 156 H CB 0.848 30.583 29.762 -0.046 0.000 1.423 156 H HN 0.613 nan 8.280 nan 0.000 0.464 157 L N 5.756 127.119 121.223 0.233 0.000 2.313 157 L HA 0.458 5.041 4.340 0.404 0.000 0.283 157 L C -0.916 175.979 176.870 0.043 0.000 1.013 157 L CA -0.219 54.665 54.840 0.072 0.000 0.816 157 L CB 1.349 43.468 42.059 0.100 0.000 1.236 157 L HN 0.723 nan 8.230 nan 0.000 0.419 158 D N 3.109 123.468 120.400 -0.069 0.000 2.592 158 D HA 0.546 5.428 4.640 0.404 0.000 0.263 158 D C -1.961 174.298 176.300 -0.068 0.000 1.132 158 D CA -0.337 53.645 54.000 -0.030 0.000 0.996 158 D CB 2.335 43.118 40.800 -0.028 0.000 1.442 158 D HN 0.406 nan 8.370 nan 0.000 0.486 159 L N 1.170 122.374 121.223 -0.032 0.000 2.401 159 L HA 0.627 5.210 4.340 0.404 0.000 0.266 159 L C -1.043 175.815 176.870 -0.021 0.000 0.991 159 L CA -0.284 54.515 54.840 -0.069 0.000 0.818 159 L CB 1.551 43.579 42.059 -0.050 0.000 1.321 159 L HN 0.478 nan 8.230 nan 0.000 0.413 160 K N 2.666 123.007 120.400 -0.098 0.000 2.579 160 K HA 0.567 5.129 4.320 0.404 0.000 0.284 160 K C -1.849 174.672 176.600 -0.131 0.000 0.990 160 K CA -0.464 55.832 56.287 0.016 0.000 0.880 160 K CB 2.046 34.552 32.500 0.010 0.000 1.488 160 K HN 0.293 nan 8.250 nan 0.000 0.425 161 F N 1.884 121.817 119.950 -0.029 0.000 2.443 161 F HA 0.365 5.135 4.527 0.404 0.000 0.369 161 F C 0.198 175.990 175.800 -0.014 0.000 1.090 161 F CA -0.619 57.367 58.000 -0.024 0.000 1.129 161 F CB 1.170 40.160 39.000 -0.016 0.000 1.367 161 F HN 0.233 nan 8.300 nan 0.000 0.465 162 R N 3.956 124.493 120.500 0.062 0.000 2.484 162 R HA 0.279 4.861 4.340 0.404 0.000 0.293 162 R C -0.682 175.647 176.300 0.049 0.000 1.023 162 R CA 0.042 56.164 56.100 0.036 0.000 1.037 162 R CB 0.240 30.534 30.300 -0.010 0.000 0.951 162 R HN 0.624 nan 8.270 nan 0.000 0.418 163 I N 4.668 125.257 120.570 0.032 0.000 2.325 163 I HA 0.191 4.603 4.170 0.404 0.000 0.291 163 I C 0.139 176.230 176.117 -0.043 0.000 1.019 163 I CA -0.152 61.148 61.300 0.001 0.000 1.302 163 I CB 1.489 39.485 38.000 -0.007 0.000 1.401 163 I HN 0.624 nan 8.210 nan 0.000 0.485 164 Q N 7.054 126.799 119.800 -0.091 0.000 2.421 164 Q HA 0.509 5.092 4.340 0.404 0.000 0.280 164 Q C -2.604 173.256 176.000 -0.233 0.000 1.085 164 Q CA -1.745 53.980 55.803 -0.130 0.000 0.807 164 Q CB 3.376 32.046 28.738 -0.113 0.000 1.405 164 Q HN 0.296 nan 8.270 nan 0.000 0.419 165 P HA 0.234 nan 4.420 nan 0.000 0.280 165 P C -1.074 176.060 177.300 -0.276 0.000 1.272 165 P CA -0.322 62.647 63.100 -0.219 0.000 0.819 165 P CB 0.509 32.171 31.700 -0.064 0.000 1.122 166 F N 0.649 120.606 119.950 0.012 0.000 2.499 166 F HA 0.341 5.111 4.527 0.405 0.000 0.353 166 F C 0.643 176.442 175.800 -0.002 0.000 1.196 166 F CA 0.260 58.264 58.000 0.005 0.000 1.244 166 F CB -0.015 38.989 39.000 0.007 0.000 1.577 166 F HN 0.153 nan 8.300 nan 0.000 0.614 167 E N 0.844 121.114 120.200 0.116 0.000 2.558 167 E HA 0.076 4.668 4.350 0.404 0.000 0.345 167 E C -0.562 176.048 176.600 0.015 0.000 0.928 167 E CA -0.326 56.110 56.400 0.060 0.000 0.774 167 E CB 1.300 31.030 29.700 0.051 0.000 1.462 167 E HN 0.171 nan 8.360 nan 0.000 0.387 168 T N 2.215 116.773 114.554 0.007 0.000 2.908 168 T HA -0.056 4.537 4.350 0.404 0.000 0.325 168 T C 1.152 175.822 174.700 -0.050 0.000 1.092 168 T CA 0.213 62.300 62.100 -0.021 0.000 1.125 168 T CB 0.348 69.204 68.868 -0.019 0.000 1.016 168 T HN 0.359 nan 8.240 nan 0.000 0.550 169 L N 2.929 124.115 121.223 -0.061 0.000 2.156 169 L HA -0.002 4.580 4.340 0.404 0.000 0.208 169 L C 2.500 179.289 176.870 -0.135 0.000 1.095 169 L CA 1.615 56.396 54.840 -0.098 0.000 0.770 169 L CB -0.811 41.203 42.059 -0.076 0.000 0.914 169 L HN 0.698 nan 8.230 nan 0.000 0.439 170 Q N -0.839 118.913 119.800 -0.080 0.000 2.002 170 Q HA -0.227 4.355 4.340 0.404 0.000 0.204 170 Q C 1.903 177.850 176.000 -0.087 0.000 0.988 170 Q CA 2.869 58.640 55.803 -0.054 0.000 0.843 170 Q CB -0.228 28.536 28.738 0.044 0.000 0.908 170 Q HN 0.585 nan 8.270 nan 0.000 0.420 171 T N 2.144 116.663 114.554 -0.058 0.000 2.624 171 T HA -0.226 4.366 4.350 0.404 0.000 0.266 171 T C 1.828 176.459 174.700 -0.115 0.000 1.050 171 T CA 1.759 63.825 62.100 -0.056 0.000 1.163 171 T CB -0.462 68.383 68.868 -0.038 0.000 0.861 171 T HN 0.300 nan 8.240 nan 0.000 0.443 172 L N 0.009 121.123 121.223 -0.182 0.000 2.456 172 L HA 0.088 4.670 4.340 0.404 0.000 0.224 172 L C 2.111 178.773 176.870 -0.348 0.000 1.148 172 L CA 0.712 55.364 54.840 -0.314 0.000 0.825 172 L CB -0.445 41.367 42.059 -0.413 0.000 0.937 172 L HN 0.292 nan 8.230 nan 0.000 0.450 173 L N -1.268 119.758 121.223 -0.328 0.000 2.556 173 L HA 0.024 4.607 4.340 0.404 0.000 0.226 173 L C 2.078 178.771 176.870 -0.294 0.000 1.089 173 L CA 0.187 54.758 54.840 -0.449 0.000 0.864 173 L CB 0.079 41.597 42.059 -0.903 0.000 1.067 173 L HN 0.252 nan 8.230 nan 0.000 0.477 174 E N -0.098 120.035 120.200 -0.112 0.000 2.079 174 E HA -0.027 4.566 4.350 0.404 0.000 0.191 174 E C 1.828 178.436 176.600 0.014 0.000 0.961 174 E CA -0.102 56.325 56.400 0.046 0.000 0.823 174 E CB -0.139 29.623 29.700 0.104 0.000 0.789 174 E HN 0.147 nan 8.360 nan 0.000 0.459 175 R N 0.446 120.930 120.500 -0.027 0.000 2.388 175 R HA -0.089 4.494 4.340 0.404 0.000 0.233 175 R C 0.785 177.071 176.300 -0.024 0.000 1.156 175 R CA 1.115 57.197 56.100 -0.030 0.000 1.036 175 R CB -0.018 30.245 30.300 -0.061 0.000 0.847 175 R HN 0.288 nan 8.270 nan 0.000 0.483 176 N N -1.587 117.108 118.700 -0.009 0.000 2.357 176 N HA -0.041 4.941 4.740 0.404 0.000 0.260 176 N C -0.677 174.967 175.510 0.223 0.000 1.035 176 N CA 0.238 53.354 53.050 0.109 0.000 0.839 176 N CB 0.901 39.334 38.487 -0.089 0.000 1.723 176 N HN -0.059 nan 8.380 nan 0.000 0.617 177 D N 0.284 120.759 120.400 0.125 0.000 2.988 177 D HA -0.150 4.732 4.640 0.404 0.000 0.221 177 D C -0.539 175.819 176.300 0.097 0.000 1.122 177 D CA 0.511 54.569 54.000 0.096 0.000 0.821 177 D CB -1.849 39.005 40.800 0.089 0.000 1.098 177 D HN 0.153 nan 8.370 nan 0.000 0.433 178 F N 0.824 120.685 119.950 -0.148 0.000 2.378 178 F HA 0.335 5.104 4.527 0.404 0.000 0.319 178 F C 1.561 177.290 175.800 -0.118 0.000 1.155 178 F CA -0.342 57.575 58.000 -0.138 0.000 1.157 178 F CB 0.525 39.393 39.000 -0.220 0.000 1.252 178 F HN -0.283 nan 8.300 nan 0.000 0.550 179 N N 1.928 120.598 118.700 -0.050 0.000 2.908 179 N HA 0.281 5.264 4.740 0.404 0.000 0.316 179 N C -2.564 172.962 175.510 0.026 0.000 1.619 179 N CA -0.914 52.115 53.050 -0.035 0.000 1.045 179 N CB -0.044 38.389 38.487 -0.091 0.000 1.357 179 N HN 0.160 nan 8.380 nan 0.000 0.501 180 P HA 0.319 nan 4.420 nan 0.000 0.213 180 P C -0.056 177.277 177.300 0.054 0.000 1.861 180 P CA -0.269 62.873 63.100 0.071 0.000 1.076 180 P CB 0.428 32.163 31.700 0.058 0.000 1.867 181 K N 1.181 121.617 120.400 0.060 0.000 2.589 181 K HA 0.125 4.687 4.320 0.404 0.000 0.204 181 K C 0.666 177.311 176.600 0.076 0.000 1.029 181 K CA 0.112 56.440 56.287 0.068 0.000 1.177 181 K CB 0.333 32.873 32.500 0.067 0.000 0.902 181 K HN 0.224 nan 8.250 nan 0.000 0.501 182 R N 0.821 121.369 120.500 0.080 0.000 2.661 182 R HA 0.315 4.897 4.340 0.404 0.000 0.429 182 R C -0.642 175.708 176.300 0.084 0.000 1.044 182 R CA -0.086 56.064 56.100 0.084 0.000 1.065 182 R CB 0.583 30.940 30.300 0.095 0.000 1.377 182 R HN 0.060 nan 8.270 nan 0.000 0.600 183 I N 1.150 121.765 120.570 0.075 0.000 2.530 183 I HA 0.406 4.819 4.170 0.404 0.000 0.297 183 I C 0.225 176.378 176.117 0.060 0.000 1.011 183 I CA -1.001 60.339 61.300 0.066 0.000 1.107 183 I CB 2.025 40.059 38.000 0.056 0.000 1.285 183 I HN -0.103 nan 8.210 nan 0.000 0.436 184 R N 3.652 124.180 120.500 0.048 0.000 2.500 184 R HA 0.785 5.368 4.340 0.404 0.000 0.277 184 R C -1.109 175.208 176.300 0.030 0.000 1.026 184 R CA -0.718 55.405 56.100 0.039 0.000 1.058 184 R CB 1.890 32.200 30.300 0.016 0.000 1.078 184 R HN 0.314 nan 8.270 nan 0.000 0.509 185 V N 1.483 121.418 119.914 0.035 0.000 3.048 185 V HA 0.307 4.670 4.120 0.404 0.000 0.303 185 V C -0.999 175.107 176.094 0.019 0.000 1.214 185 V CA -0.915 61.402 62.300 0.027 0.000 0.984 185 V CB 2.634 34.486 31.823 0.048 0.000 1.054 185 V HN 0.568 nan 8.190 nan 0.000 0.430 186 K N 3.937 124.325 120.400 -0.020 0.000 2.345 186 K HA 0.614 5.176 4.320 0.404 0.000 0.255 186 K C -2.968 173.567 176.600 -0.109 0.000 0.934 186 K CA -2.096 54.160 56.287 -0.052 0.000 0.801 186 K CB 2.675 35.136 32.500 -0.066 0.000 1.137 186 K HN 0.330 nan 8.250 nan 0.000 0.424 187 P HA 0.304 nan 4.420 nan 0.000 0.292 187 P C -0.125 177.025 177.300 -0.251 0.000 1.287 187 P CA -0.482 62.429 63.100 -0.316 0.000 0.800 187 P CB 0.486 31.774 31.700 -0.688 0.000 0.945 188 I N 2.323 122.784 120.570 -0.183 0.000 2.906 188 I HA -0.020 4.393 4.170 0.404 0.000 0.301 188 I C 1.654 177.686 176.117 -0.141 0.000 1.221 188 I CA 1.153 62.376 61.300 -0.128 0.000 1.435 188 I CB -0.913 37.032 38.000 -0.091 0.000 1.345 188 I HN 0.747 nan 8.210 nan 0.000 0.558 189 G N 6.003 114.738 108.800 -0.108 0.000 2.168 189 G HA2 -0.283 3.920 3.960 0.404 0.000 0.257 189 G HA3 -0.283 3.920 3.960 0.404 0.000 0.257 189 G C -0.022 174.781 174.900 -0.161 0.000 0.997 189 G CA -0.043 45.005 45.100 -0.086 0.000 0.708 189 G HN 0.583 nan 8.290 nan 0.000 0.520 190 I N 0.035 120.445 120.570 -0.266 0.000 2.436 190 I HA 0.279 4.692 4.170 0.404 0.000 0.289 190 I C -0.150 175.819 176.117 -0.246 0.000 1.010 190 I CA -0.898 60.144 61.300 -0.430 0.000 1.098 190 I CB 1.862 39.435 38.000 -0.711 0.000 1.266 190 I HN -0.007 nan 8.210 nan 0.000 0.434 191 D N 6.306 126.594 120.400 -0.187 0.000 2.767 191 D HA 0.121 5.003 4.640 0.404 0.000 0.231 191 D C -1.040 175.239 176.300 -0.034 0.000 1.105 191 D CA 0.434 54.377 54.000 -0.094 0.000 1.024 191 D CB -0.258 40.501 40.800 -0.068 0.000 1.123 191 D HN 0.278 nan 8.370 nan 0.000 0.470 192 F N 0.730 120.548 119.950 -0.220 0.000 2.588 192 F HA 0.566 5.335 4.527 0.403 0.000 0.310 192 F C -1.482 174.239 175.800 -0.132 0.000 1.082 192 F CA -0.824 57.067 58.000 -0.182 0.000 0.929 192 F CB 1.651 40.484 39.000 -0.280 0.000 1.254 192 F HN -0.186 nan 8.300 nan 0.000 0.455 193 V N 3.506 122.959 119.914 -0.769 0.000 2.711 193 V HA 0.897 5.259 4.120 0.404 0.000 0.304 193 V C -0.481 175.276 176.094 -0.562 0.000 1.097 193 V CA -0.344 61.709 62.300 -0.411 0.000 0.906 193 V CB 1.337 33.007 31.823 -0.256 0.000 1.015 193 V HN 1.143 nan 8.190 nan 0.000 0.427 194 G N 2.903 111.618 108.800 -0.142 0.000 2.616 194 G HA2 0.526 4.728 3.960 0.404 0.000 0.294 194 G HA3 0.526 4.728 3.960 0.404 0.000 0.294 194 G C -1.444 173.547 174.900 0.152 0.000 1.489 194 G CA -1.024 44.090 45.100 0.024 0.000 0.836 194 G HN 0.657 nan 8.290 nan 0.000 0.527 195 R N 0.223 120.797 120.500 0.124 0.000 2.623 195 R HA 0.308 4.891 4.340 0.404 0.000 0.271 195 R C 0.455 176.846 176.300 0.152 0.000 1.043 195 R CA -0.282 55.887 56.100 0.116 0.000 1.083 195 R CB 0.556 30.911 30.300 0.092 0.000 0.974 195 R HN 0.279 nan 8.270 nan 0.000 0.436 196 V N 5.739 125.729 119.914 0.127 0.000 2.434 196 V HA -0.091 4.272 4.120 0.404 0.000 0.281 196 V C 1.245 177.414 176.094 0.126 0.000 1.005 196 V CA 0.619 62.996 62.300 0.129 0.000 1.089 196 V CB 0.825 32.703 31.823 0.092 0.000 0.978 196 V HN 0.904 nan 8.190 nan 0.000 0.474 197 Q N 2.716 122.603 119.800 0.146 0.000 2.013 197 Q HA 0.045 4.628 4.340 0.404 0.000 0.195 197 Q C -0.295 175.783 176.000 0.130 0.000 0.974 197 Q CA 1.075 56.956 55.803 0.131 0.000 0.826 197 Q CB 0.339 29.157 28.738 0.132 0.000 0.895 197 Q HN 0.849 nan 8.270 nan 0.000 0.448 198 D N -0.760 119.737 120.400 0.162 0.000 2.936 198 D HA 0.306 5.188 4.640 0.404 0.000 0.238 198 D C -1.617 174.831 176.300 0.247 0.000 1.248 198 D CA -0.290 53.822 54.000 0.188 0.000 0.903 198 D CB 2.663 43.575 40.800 0.188 0.000 1.544 198 D HN -0.155 nan 8.370 nan 0.000 0.543 199 V N 3.005 123.049 119.914 0.217 0.000 2.398 199 V HA 0.653 5.015 4.120 0.404 0.000 0.286 199 V C -0.478 175.806 176.094 0.316 0.000 1.026 199 V CA -0.658 61.761 62.300 0.198 0.000 0.868 199 V CB 0.167 32.060 31.823 0.116 0.000 0.982 199 V HN 0.532 nan 8.190 nan 0.000 0.443 200 F N 2.184 122.238 119.950 0.172 0.000 2.654 200 F HA 0.802 5.572 4.527 0.404 0.000 0.334 200 F C -0.311 175.574 175.800 0.142 0.000 1.078 200 F CA -1.374 56.708 58.000 0.137 0.000 0.986 200 F CB 1.641 40.682 39.000 0.068 0.000 1.362 200 F HN 0.290 nan 8.300 nan 0.000 0.498 201 K N 0.027 120.498 120.400 0.119 0.000 2.106 201 K HA 0.708 5.270 4.320 0.404 0.000 0.246 201 K C 0.370 176.951 176.600 -0.031 0.000 0.987 201 K CA -0.369 55.812 56.287 -0.175 0.000 0.904 201 K CB 1.731 34.048 32.500 -0.304 0.000 1.071 201 K HN 0.848 nan 8.250 nan 0.000 0.453 202 A N 1.913 124.674 122.820 -0.098 0.000 2.218 202 A HA 0.029 4.591 4.320 0.404 0.000 0.209 202 A C 1.599 179.261 177.584 0.129 0.000 1.168 202 A CA 0.685 52.775 52.037 0.089 0.000 0.804 202 A CB -0.127 18.943 19.000 0.116 0.000 0.834 202 A HN 0.807 nan 8.150 nan 0.000 0.482 203 K N -0.011 120.402 120.400 0.021 0.000 2.362 203 K HA -0.090 4.472 4.320 0.404 0.000 0.200 203 K C 0.829 177.454 176.600 0.040 0.000 1.046 203 K CA 1.130 57.427 56.287 0.017 0.000 0.952 203 K CB 0.020 32.501 32.500 -0.032 0.000 0.753 203 K HN 0.544 nan 8.250 nan 0.000 0.466 204 E N -0.100 120.131 120.200 0.052 0.000 2.479 204 E HA 0.036 4.629 4.350 0.404 0.000 0.193 204 E C -0.523 176.048 176.600 -0.047 0.000 1.049 204 E CA 0.371 56.781 56.400 0.017 0.000 0.870 204 E CB 0.503 30.224 29.700 0.035 0.000 0.944 204 E HN -0.077 nan 8.360 nan 0.000 0.492 205 K N 0.045 120.409 120.400 -0.059 0.000 2.378 205 K HA 0.366 4.928 4.320 0.404 0.000 0.252 205 K C 0.483 177.075 176.600 -0.013 0.000 0.931 205 K CA -0.531 55.590 56.287 -0.276 0.000 0.794 205 K CB 1.888 33.771 32.500 -1.028 0.000 1.181 205 K HN 0.071 nan 8.250 nan 0.000 0.425 206 G N 1.350 110.154 108.800 0.007 0.000 2.572 206 G HA2 -0.176 4.027 3.960 0.404 0.000 0.144 206 G HA3 -0.176 4.027 3.960 0.404 0.000 0.144 206 G C 0.734 175.831 174.900 0.329 0.000 1.747 206 G CA 0.925 46.114 45.100 0.149 0.000 1.007 206 G HN 0.710 nan 8.290 nan 0.000 0.452 207 E N -1.754 118.612 120.200 0.277 0.000 2.713 207 E HA 0.107 4.700 4.350 0.404 0.000 0.201 207 E C 2.183 178.964 176.600 0.301 0.000 0.935 207 E CA 0.281 56.886 56.400 0.342 0.000 1.273 207 E CB 0.025 29.836 29.700 0.185 0.000 1.221 207 E HN 0.455 nan 8.360 nan 0.000 0.547 208 E N 0.424 120.724 120.200 0.167 0.000 2.187 208 E HA -0.237 4.356 4.350 0.404 0.000 0.199 208 E C 1.599 178.235 176.600 0.060 0.000 1.004 208 E CA 1.408 57.861 56.400 0.089 0.000 0.813 208 E CB -0.258 29.466 29.700 0.041 0.000 0.736 208 E HN 0.295 nan 8.360 nan 0.000 0.468 209 F N 0.509 120.406 119.950 -0.089 0.000 2.015 209 F HA -0.300 4.469 4.527 0.404 0.000 0.297 209 F C 1.739 177.347 175.800 -0.321 0.000 1.141 209 F CA 1.749 59.583 58.000 -0.277 0.000 1.192 209 F CB -0.277 38.443 39.000 -0.466 0.000 0.957 209 F HN -0.052 nan 8.300 nan 0.000 0.491 210 F N 0.150 120.329 119.950 0.383 0.000 2.546 210 F HA -0.027 4.743 4.527 0.405 0.000 0.298 210 F C 2.455 178.274 175.800 0.033 0.000 1.120 210 F CA 0.973 59.113 58.000 0.234 0.000 1.456 210 F CB -0.807 38.397 39.000 0.340 0.000 1.088 210 F HN -0.040 nan 8.300 nan 0.000 0.572 211 R N 0.994 121.591 120.500 0.162 0.000 2.061 211 R HA -0.112 4.471 4.340 0.404 0.000 0.230 211 R C 2.146 178.403 176.300 -0.072 0.000 1.140 211 R CA 1.441 57.576 56.100 0.059 0.000 0.940 211 R CB -0.524 29.805 30.300 0.050 0.000 0.839 211 R HN 0.301 nan 8.270 nan 0.000 0.429 212 L N 0.008 121.124 121.223 -0.180 0.000 1.989 212 L HA -0.275 4.308 4.340 0.404 0.000 0.211 212 L C 2.858 179.506 176.870 -0.369 0.000 1.071 212 L CA 1.258 55.941 54.840 -0.262 0.000 0.749 212 L CB -0.810 41.057 42.059 -0.321 0.000 0.890 212 L HN 0.392 nan 8.230 nan 0.000 0.431 213 C N -0.161 118.767 119.300 -0.621 0.000 2.375 213 C HA -0.306 4.396 4.460 0.404 0.000 0.274 213 C C 3.017 177.634 174.990 -0.622 0.000 1.190 213 C CA 1.681 60.149 59.018 -0.917 0.000 1.775 213 C CB -0.558 26.244 27.740 -1.563 0.000 2.067 213 C HN 0.519 nan 8.230 nan 0.000 0.463 214 M N 0.032 119.491 119.600 -0.234 0.000 2.077 214 M HA -0.166 4.557 4.480 0.404 0.000 0.261 214 M C 2.203 178.516 176.300 0.022 0.000 1.070 214 M CA 1.856 57.200 55.300 0.074 0.000 1.125 214 M CB -0.587 32.117 32.600 0.173 0.000 1.339 214 M HN 0.411 nan 8.290 nan 0.000 0.409 215 E N -0.020 120.156 120.200 -0.040 0.000 2.187 215 E HA -0.254 4.339 4.350 0.404 0.000 0.199 215 E C 1.623 178.196 176.600 -0.045 0.000 1.004 215 E CA 1.557 57.931 56.400 -0.043 0.000 0.813 215 E CB -0.051 29.606 29.700 -0.072 0.000 0.736 215 E HN 0.592 nan 8.360 nan 0.000 0.468 216 R N -0.077 120.381 120.500 -0.070 0.000 2.362 216 R HA 0.193 4.775 4.340 0.404 0.000 0.227 216 R C 0.325 176.644 176.300 0.031 0.000 0.905 216 R CA -0.207 55.866 56.100 -0.045 0.000 1.067 216 R CB 0.695 30.939 30.300 -0.094 0.000 1.078 216 R HN -0.145 nan 8.270 nan 0.000 0.516 217 S N 1.548 117.301 115.700 0.089 0.000 2.544 217 S HA -0.019 4.694 4.470 0.404 0.000 0.290 217 S C 1.120 175.828 174.600 0.180 0.000 1.276 217 S CA 0.209 58.544 58.200 0.225 0.000 1.075 217 S CB 0.956 64.359 63.200 0.338 0.000 0.849 217 S HN 0.359 nan 8.310 nan 0.000 0.494 218 T N 0.965 115.648 114.554 0.215 0.000 3.122 218 T HA 0.175 4.767 4.350 0.404 0.000 0.250 218 T C 0.263 174.861 174.700 -0.170 0.000 1.067 218 T CA 0.060 62.197 62.100 0.063 0.000 0.966 218 T CB -0.164 68.861 68.868 0.262 0.000 1.002 218 T HN 0.684 nan 8.240 nan 0.000 0.542 219 H N -0.177 119.042 119.070 0.249 0.000 2.865 219 H HA 0.433 5.232 4.556 0.404 0.000 0.372 219 H C 0.403 175.811 175.328 0.133 0.000 1.173 219 H CA -1.012 55.152 56.048 0.194 0.000 1.147 219 H CB 2.186 32.036 29.762 0.148 0.000 1.805 219 H HN -0.129 nan 8.280 nan 0.000 0.553 220 K N 0.654 121.182 120.400 0.213 0.000 2.032 220 K HA -0.147 4.416 4.320 0.404 0.000 0.209 220 K C 2.041 178.712 176.600 0.118 0.000 1.048 220 K CA 2.094 58.457 56.287 0.127 0.000 0.927 220 K CB -0.046 32.505 32.500 0.084 0.000 0.712 220 K HN 0.555 nan 8.250 nan 0.000 0.441 221 S N 0.579 116.339 115.700 0.100 0.000 2.383 221 S HA -0.127 4.586 4.470 0.404 0.000 0.227 221 S C 2.151 176.776 174.600 0.041 0.000 1.026 221 S CA 1.489 59.711 58.200 0.038 0.000 0.981 221 S CB -0.343 62.845 63.200 -0.020 0.000 0.818 221 S HN 0.326 nan 8.310 nan 0.000 0.472 222 S N 2.152 117.923 115.700 0.120 0.000 2.368 222 S HA -0.019 4.693 4.470 0.404 0.000 0.224 222 S C 1.842 176.608 174.600 0.276 0.000 1.029 222 S CA 0.909 59.225 58.200 0.193 0.000 0.988 222 S CB -0.537 62.945 63.200 0.469 0.000 0.838 222 S HN 0.518 nan 8.310 nan 0.000 0.462 223 K N 1.414 121.986 120.400 0.287 0.000 1.987 223 K HA -0.087 4.476 4.320 0.404 0.000 0.216 223 K C 2.376 179.098 176.600 0.204 0.000 1.051 223 K CA 1.734 58.181 56.287 0.267 0.000 0.942 223 K CB -0.183 32.422 32.500 0.175 0.000 0.722 223 K HN 0.314 nan 8.250 nan 0.000 0.444 224 K N -0.088 120.383 120.400 0.119 0.000 2.152 224 K HA -0.149 4.414 4.320 0.404 0.000 0.206 224 K C 2.083 178.708 176.600 0.041 0.000 1.048 224 K CA 1.046 57.376 56.287 0.072 0.000 0.933 224 K CB -0.101 32.423 32.500 0.039 0.000 0.721 224 K HN 0.199 nan 8.250 nan 0.000 0.447 225 A N 0.981 123.792 122.820 -0.014 0.000 1.845 225 A HA -0.174 4.389 4.320 0.404 0.000 0.215 225 A C 1.874 179.407 177.584 -0.084 0.000 1.195 225 A CA 1.352 53.304 52.037 -0.142 0.000 0.616 225 A CB -1.072 17.729 19.000 -0.331 0.000 0.832 225 A HN 0.452 nan 8.150 nan 0.000 0.443 226 W N -0.394 120.995 121.300 0.148 0.000 2.374 226 W HA -0.028 4.874 4.660 0.403 0.000 0.288 226 W C 2.162 178.761 176.519 0.134 0.000 1.218 226 W CA 0.873 58.331 57.345 0.189 0.000 1.245 226 W CB -0.198 29.391 29.460 0.214 0.000 1.126 226 W HN 0.504 nan 8.180 nan 0.000 0.545 227 E N 1.221 121.596 120.200 0.292 0.000 2.086 227 E HA -0.285 4.307 4.350 0.404 0.000 0.205 227 E C 1.954 178.619 176.600 0.108 0.000 1.027 227 E CA 2.176 58.677 56.400 0.169 0.000 0.830 227 E CB -0.216 29.553 29.700 0.114 0.000 0.751 227 E HN 0.059 nan 8.360 nan 0.000 0.456 228 E N 0.330 120.572 120.200 0.070 0.000 2.033 228 E HA -0.184 4.408 4.350 0.404 0.000 0.199 228 E C 2.272 178.865 176.600 -0.011 0.000 1.011 228 E CA 1.364 57.773 56.400 0.015 0.000 0.815 228 E CB -0.597 29.095 29.700 -0.013 0.000 0.755 228 E HN 0.404 nan 8.360 nan 0.000 0.451 229 L N 0.235 121.457 121.223 -0.001 0.000 2.191 229 L HA -0.130 4.453 4.340 0.404 0.000 0.212 229 L C 2.498 179.239 176.870 -0.214 0.000 1.103 229 L CA 0.594 55.346 54.840 -0.147 0.000 0.769 229 L CB -0.601 41.393 42.059 -0.109 0.000 0.908 229 L HN 0.129 nan 8.230 nan 0.000 0.438 230 L N 0.059 121.293 121.223 0.019 0.000 2.072 230 L HA -0.129 4.454 4.340 0.404 0.000 0.205 230 L C 2.448 179.322 176.870 0.007 0.000 1.079 230 L CA 1.804 56.680 54.840 0.060 0.000 0.752 230 L CB -0.368 41.795 42.059 0.174 0.000 0.906 230 L HN 0.079 nan 8.230 nan 0.000 0.436 231 K N -0.282 120.121 120.400 0.005 0.000 1.997 231 K HA 0.046 4.608 4.320 0.404 0.000 0.212 231 K C 0.322 176.899 176.600 -0.038 0.000 1.033 231 K CA 0.671 56.954 56.287 -0.007 0.000 0.950 231 K CB -0.182 32.320 32.500 0.004 0.000 0.751 231 K HN 0.220 nan 8.250 nan 0.000 0.444 232 N N 2.803 121.476 118.700 -0.046 0.000 2.406 232 N HA 0.006 4.989 4.740 0.404 0.000 0.269 232 N C 0.176 175.636 175.510 -0.083 0.000 1.210 232 N CA 0.355 53.373 53.050 -0.053 0.000 0.966 232 N CB 0.724 39.186 38.487 -0.042 0.000 1.293 232 N HN 0.185 nan 8.380 nan 0.000 0.491 233 R N 1.007 121.461 120.500 -0.076 0.000 2.235 233 R HA -0.034 4.548 4.340 0.404 0.000 0.213 233 R C 1.104 177.358 176.300 -0.077 0.000 1.059 233 R CA 0.540 56.585 56.100 -0.091 0.000 0.997 233 R CB 0.251 30.512 30.300 -0.065 0.000 0.884 233 R HN 0.408 nan 8.270 nan 0.000 0.462 234 E N 1.205 121.369 120.200 -0.059 0.000 2.051 234 E HA -0.175 4.417 4.350 0.404 0.000 0.192 234 E C 2.074 178.640 176.600 -0.057 0.000 0.991 234 E CA 1.069 57.440 56.400 -0.048 0.000 0.799 234 E CB -0.261 29.418 29.700 -0.035 0.000 0.748 234 E HN 0.327 nan 8.360 nan 0.000 0.449 235 L N 0.552 121.736 121.223 -0.065 0.000 1.989 235 L HA -0.192 4.390 4.340 0.404 0.000 0.211 235 L C 2.737 179.552 176.870 -0.093 0.000 1.071 235 L CA 1.319 56.118 54.840 -0.069 0.000 0.749 235 L CB -0.417 41.602 42.059 -0.068 0.000 0.890 235 L HN 0.066 nan 8.230 nan 0.000 0.431 236 R N -0.002 120.419 120.500 -0.132 0.000 2.162 236 R HA -0.271 4.311 4.340 0.404 0.000 0.245 236 R C 2.221 178.451 176.300 -0.117 0.000 1.129 236 R CA 2.324 58.329 56.100 -0.159 0.000 0.940 236 R CB -0.532 29.642 30.300 -0.210 0.000 0.875 236 R HN 0.486 nan 8.270 nan 0.000 0.437 237 E N -0.068 120.073 120.200 -0.099 0.000 2.110 237 E HA -0.199 4.393 4.350 0.404 0.000 0.193 237 E C 2.032 178.548 176.600 -0.140 0.000 0.988 237 E CA 0.951 57.292 56.400 -0.099 0.000 0.804 237 E CB -0.013 29.646 29.700 -0.068 0.000 0.745 237 E HN 0.300 nan 8.360 nan 0.000 0.458 238 K N 0.803 121.134 120.400 -0.114 0.000 2.005 238 K HA 0.031 4.593 4.320 0.404 0.000 0.206 238 K C 0.891 177.398 176.600 -0.156 0.000 1.044 238 K CA 0.506 56.729 56.287 -0.105 0.000 0.942 238 K CB -0.009 32.468 32.500 -0.037 0.000 0.727 238 K HN -0.010 nan 8.250 nan 0.000 0.439 239 A N 0.989 123.748 122.820 -0.102 0.000 2.520 239 A HA 0.181 4.744 4.320 0.404 0.000 0.235 239 A C -0.444 177.049 177.584 -0.152 0.000 1.065 239 A CA 0.300 52.310 52.037 -0.045 0.000 0.764 239 A CB -0.133 18.848 19.000 -0.031 0.000 1.002 239 A HN 0.207 nan 8.150 nan 0.000 0.502 240 F N -0.151 119.760 119.950 -0.065 0.000 2.483 240 F HA 0.610 5.380 4.527 0.404 0.000 0.329 240 F C 0.255 175.955 175.800 -0.167 0.000 1.064 240 F CA -0.405 57.531 58.000 -0.107 0.000 0.986 240 F CB 1.681 40.627 39.000 -0.090 0.000 1.218 240 F HN 0.303 nan 8.300 nan 0.000 0.484 241 L N 2.941 124.074 121.223 -0.149 0.000 2.381 241 L HA 0.608 5.191 4.340 0.404 0.000 0.274 241 L C -1.276 175.360 176.870 -0.390 0.000 0.988 241 L CA -0.912 53.717 54.840 -0.352 0.000 0.824 241 L CB 1.888 43.540 42.059 -0.678 0.000 1.263 241 L HN 0.235 nan 8.230 nan 0.000 0.410 242 V N 3.931 123.801 119.914 -0.073 0.000 2.448 242 V HA 0.377 4.739 4.120 0.404 0.000 0.295 242 V C 0.105 176.306 176.094 0.178 0.000 1.025 242 V CA -0.689 61.644 62.300 0.055 0.000 0.859 242 V CB 2.393 34.265 31.823 0.081 0.000 0.988 242 V HN 0.404 nan 8.190 nan 0.000 0.431 243 V N 6.452 126.506 119.914 0.233 0.000 2.498 243 V HA 0.386 4.749 4.120 0.404 0.000 0.279 243 V C 0.287 176.515 176.094 0.223 0.000 1.048 243 V CA -0.168 62.284 62.300 0.254 0.000 0.967 243 V CB 1.328 33.313 31.823 0.270 0.000 0.988 243 V HN 0.604 nan 8.190 nan 0.000 0.473 244 L N 2.544 123.913 121.223 0.244 0.000 2.397 244 L HA 0.431 5.014 4.340 0.404 0.000 0.266 244 L C 1.555 178.583 176.870 0.264 0.000 1.040 244 L CA -0.460 54.558 54.840 0.298 0.000 0.800 244 L CB 1.083 43.393 42.059 0.419 0.000 1.324 244 L HN 0.663 nan 8.230 nan 0.000 0.469 245 E N 0.388 120.797 120.200 0.349 0.000 2.001 245 E HA -0.183 4.410 4.350 0.404 0.000 0.195 245 E C 0.831 177.558 176.600 0.211 0.000 1.002 245 E CA 1.647 58.217 56.400 0.282 0.000 0.819 245 E CB 0.174 30.074 29.700 0.333 0.000 0.769 245 E HN 0.353 nan 8.360 nan 0.000 0.454 246 K N -0.660 119.905 120.400 0.276 0.000 2.745 246 K HA 0.170 4.733 4.320 0.404 0.000 0.223 246 K C 0.050 176.448 176.600 -0.337 0.000 1.057 246 K CA 0.458 56.771 56.287 0.043 0.000 1.217 246 K CB 0.691 33.313 32.500 0.203 0.000 0.993 246 K HN 0.364 nan 8.250 nan 0.000 0.478 247 G N 0.658 109.322 108.800 -0.228 0.000 2.203 247 G HA2 -0.269 3.934 3.960 0.404 0.000 0.231 247 G HA3 -0.269 3.934 3.960 0.404 0.000 0.231 247 G C -0.638 174.045 174.900 -0.363 0.000 1.058 247 G CA -0.512 44.435 45.100 -0.255 0.000 0.781 247 G HN 0.310 nan 8.290 nan 0.000 0.496 248 Y N -0.255 120.007 120.300 -0.064 0.000 2.496 248 Y HA 0.732 5.524 4.550 0.404 0.000 0.331 248 Y C 0.909 176.747 175.900 -0.104 0.000 1.140 248 Y CA -0.609 57.394 58.100 -0.162 0.000 1.166 248 Y CB 2.022 40.333 38.460 -0.249 0.000 1.249 248 Y HN 0.091 nan 8.280 nan 0.000 0.479 249 T N 1.802 116.342 114.554 -0.023 0.000 2.848 249 T HA 0.537 5.130 4.350 0.404 0.000 0.285 249 T C -1.501 173.165 174.700 -0.056 0.000 0.995 249 T CA -0.824 61.340 62.100 0.107 0.000 0.970 249 T CB 0.470 69.518 68.868 0.300 0.000 0.976 249 T HN 0.402 nan 8.240 nan 0.000 0.441 250 Y N 1.716 122.192 120.300 0.294 0.000 2.553 250 Y HA 0.468 5.260 4.550 0.403 0.000 0.347 250 Y C -2.407 173.427 175.900 -0.111 0.000 1.019 250 Y CA -2.669 55.489 58.100 0.096 0.000 1.032 250 Y CB 1.876 40.331 38.460 -0.008 0.000 1.284 250 Y HN 0.441 nan 8.280 nan 0.000 0.466 251 P HA 0.099 nan 4.420 nan 0.000 0.272 251 P C -0.229 177.012 177.300 -0.098 0.000 1.240 251 P CA 0.091 63.033 63.100 -0.264 0.000 0.791 251 P CB 0.871 32.290 31.700 -0.468 0.000 0.978 252 A N 1.049 123.844 122.820 -0.043 0.000 2.208 252 A HA -0.028 4.535 4.320 0.404 0.000 0.209 252 A C 1.576 179.138 177.584 -0.037 0.000 1.161 252 A CA 1.269 53.298 52.037 -0.013 0.000 0.782 252 A CB -1.259 17.763 19.000 0.037 0.000 0.816 252 A HN 0.523 nan 8.150 nan 0.000 0.477 253 T N 0.417 114.937 114.554 -0.058 0.000 3.067 253 T HA 0.057 4.649 4.350 0.404 0.000 0.261 253 T C 1.429 176.085 174.700 -0.072 0.000 1.110 253 T CA 1.203 63.269 62.100 -0.057 0.000 1.113 253 T CB -0.369 68.464 68.868 -0.058 0.000 0.917 253 T HN 0.730 nan 8.240 nan 0.000 0.499 254 I N -1.725 118.784 120.570 -0.101 0.000 3.956 254 I HA 0.398 4.811 4.170 0.404 0.000 0.333 254 I C -0.159 175.880 176.117 -0.129 0.000 1.302 254 I CA -0.196 61.030 61.300 -0.124 0.000 1.122 254 I CB -0.040 37.858 38.000 -0.170 0.000 1.013 254 I HN -0.019 nan 8.210 nan 0.000 0.405 255 L N 2.679 123.848 121.223 -0.090 0.000 2.265 255 L HA 0.515 5.097 4.340 0.404 0.000 0.289 255 L C -0.286 176.554 176.870 -0.050 0.000 1.033 255 L CA -0.235 54.564 54.840 -0.069 0.000 0.814 255 L CB 1.074 43.117 42.059 -0.028 0.000 1.203 255 L HN 0.126 nan 8.230 nan 0.000 0.423 256 K N 4.282 124.652 120.400 -0.049 0.000 2.207 256 K HA 0.509 5.071 4.320 0.404 0.000 0.255 256 K C -2.482 174.100 176.600 -0.030 0.000 0.941 256 K CA -1.808 54.457 56.287 -0.036 0.000 0.825 256 K CB 2.093 34.572 32.500 -0.035 0.000 1.119 256 K HN 0.170 nan 8.250 nan 0.000 0.430 257 P HA 0.006 nan 4.420 nan 0.000 0.270 257 P C -1.035 176.252 177.300 -0.021 0.000 1.223 257 P CA -0.358 62.735 63.100 -0.011 0.000 0.785 257 P CB 0.586 32.287 31.700 0.003 0.000 0.923 258 V N 3.634 123.540 119.914 -0.012 0.000 2.444 258 V HA 0.333 4.696 4.120 0.404 0.000 0.294 258 V C 0.104 176.194 176.094 -0.007 0.000 1.022 258 V CA -0.429 61.860 62.300 -0.018 0.000 0.850 258 V CB 1.056 32.863 31.823 -0.026 0.000 0.992 258 V HN 0.332 nan 8.190 nan 0.000 0.426 259 L N 3.918 125.135 121.223 -0.011 0.000 2.334 259 L HA 0.712 5.294 4.340 0.404 0.000 0.272 259 L C 0.287 177.160 176.870 0.005 0.000 1.020 259 L CA -0.521 54.316 54.840 -0.006 0.000 0.812 259 L CB 2.187 44.231 42.059 -0.025 0.000 1.264 259 L HN 0.574 nan 8.230 nan 0.000 0.439 260 T N -1.848 112.715 114.554 0.016 0.000 2.902 260 T HA 0.181 4.774 4.350 0.404 0.000 0.283 260 T C 0.643 175.378 174.700 0.059 0.000 1.009 260 T CA -0.465 61.662 62.100 0.045 0.000 1.051 260 T CB 1.607 70.502 68.868 0.046 0.000 0.999 260 T HN 0.519 nan 8.240 nan 0.000 0.474 261 Y N 2.100 122.388 120.300 -0.020 0.000 2.002 261 Y HA -0.354 4.439 4.550 0.404 0.000 0.268 261 Y C 2.330 178.214 175.900 -0.025 0.000 1.177 261 Y CA 2.370 60.455 58.100 -0.026 0.000 1.111 261 Y CB -0.246 38.194 38.460 -0.033 0.000 0.952 261 Y HN 0.862 nan 8.280 nan 0.000 0.491 262 E N 0.054 120.425 120.200 0.286 0.000 2.055 262 E HA -0.307 4.286 4.350 0.404 0.000 0.209 262 E C 1.355 177.984 176.600 0.048 0.000 1.036 262 E CA 1.736 58.237 56.400 0.168 0.000 0.849 262 E CB -0.404 29.353 29.700 0.095 0.000 0.767 262 E HN 0.544 nan 8.360 nan 0.000 0.461 263 N N 0.869 119.585 118.700 0.026 0.000 2.551 263 N HA -0.028 4.955 4.740 0.404 0.000 0.199 263 N C -0.341 175.148 175.510 -0.034 0.000 1.277 263 N CA 0.462 53.518 53.050 0.010 0.000 0.870 263 N CB -0.107 38.395 38.487 0.026 0.000 1.028 263 N HN 0.149 nan 8.380 nan 0.000 0.452 264 L N 1.621 122.789 121.223 -0.091 0.000 2.319 264 L HA 0.096 4.679 4.340 0.404 0.000 0.280 264 L C 0.623 177.428 176.870 -0.109 0.000 1.099 264 L CA -0.426 54.327 54.840 -0.144 0.000 0.828 264 L CB 0.682 42.567 42.059 -0.289 0.000 1.150 264 L HN 0.019 nan 8.230 nan 0.000 0.442 265 E N 2.353 122.502 120.200 -0.085 0.000 2.568 265 E HA -0.143 4.450 4.350 0.404 0.000 0.262 265 E C 0.105 176.662 176.600 -0.072 0.000 0.961 265 E CA -0.335 56.029 56.400 -0.061 0.000 0.945 265 E CB 0.554 30.217 29.700 -0.062 0.000 0.924 265 E HN 0.513 nan 8.360 nan 0.000 0.467 266 D N 2.452 122.827 120.400 -0.041 0.000 2.268 266 D HA -0.282 4.601 4.640 0.404 0.000 0.189 266 D C 1.600 177.869 176.300 -0.052 0.000 1.010 266 D CA 1.674 55.652 54.000 -0.037 0.000 0.862 266 D CB -0.037 40.758 40.800 -0.009 0.000 0.943 266 D HN 0.617 nan 8.370 nan 0.000 0.451 267 E N 0.437 120.611 120.200 -0.043 0.000 2.033 267 E HA -0.240 4.352 4.350 0.404 0.000 0.199 267 E C 1.965 178.527 176.600 -0.063 0.000 1.011 267 E CA 1.415 57.790 56.400 -0.041 0.000 0.815 267 E CB -0.058 29.623 29.700 -0.032 0.000 0.755 267 E HN 0.419 nan 8.360 nan 0.000 0.451 268 E N 0.203 120.353 120.200 -0.083 0.000 2.035 268 E HA -0.268 4.325 4.350 0.404 0.000 0.204 268 E C 2.298 178.798 176.600 -0.166 0.000 1.025 268 E CA 1.422 57.755 56.400 -0.111 0.000 0.835 268 E CB -0.375 29.251 29.700 -0.124 0.000 0.764 268 E HN 0.225 nan 8.360 nan 0.000 0.457 269 R N 0.448 120.798 120.500 -0.251 0.000 2.246 269 R HA -0.232 4.351 4.340 0.404 0.000 0.266 269 R C 2.136 178.319 176.300 -0.194 0.000 1.163 269 R CA 1.800 57.643 56.100 -0.428 0.000 0.992 269 R CB -0.377 29.729 30.300 -0.324 0.000 0.895 269 R HN 0.248 nan 8.270 nan 0.000 0.465 270 N N 0.019 118.669 118.700 -0.083 0.000 2.171 270 N HA -0.140 4.842 4.740 0.404 0.000 0.184 270 N C 1.666 177.166 175.510 -0.017 0.000 1.021 270 N CA 1.099 54.140 53.050 -0.015 0.000 0.854 270 N CB -0.056 38.425 38.487 -0.010 0.000 0.994 270 N HN 0.284 nan 8.380 nan 0.000 0.426 271 E N 0.791 120.967 120.200 -0.040 0.000 2.006 271 E HA -0.067 4.525 4.350 0.404 0.000 0.192 271 E C 2.006 178.582 176.600 -0.041 0.000 0.993 271 E CA 0.818 57.198 56.400 -0.033 0.000 0.808 271 E CB -0.201 29.479 29.700 -0.034 0.000 0.764 271 E HN -0.072 nan 8.360 nan 0.000 0.449 272 V N 1.525 121.401 119.914 -0.062 0.000 2.258 272 V HA -0.444 3.918 4.120 0.404 0.000 0.259 272 V C 2.340 178.427 176.094 -0.012 0.000 1.076 272 V CA 2.492 64.754 62.300 -0.064 0.000 1.084 272 V CB -1.447 30.297 31.823 -0.132 0.000 0.706 272 V HN 0.543 nan 8.190 nan 0.000 0.461 273 A N -0.412 122.451 122.820 0.071 0.000 1.985 273 A HA -0.373 4.189 4.320 0.404 0.000 0.223 273 A C 1.934 179.520 177.584 0.004 0.000 1.189 273 A CA 2.569 54.704 52.037 0.163 0.000 0.658 273 A CB -0.738 18.365 19.000 0.172 0.000 0.820 273 A HN 0.727 nan 8.150 nan 0.000 0.464 274 D N -0.719 119.655 120.400 -0.044 0.000 2.194 274 D HA 0.000 4.883 4.640 0.404 0.000 0.204 274 D C 1.837 178.039 176.300 -0.163 0.000 0.964 274 D CA 1.320 55.270 54.000 -0.083 0.000 0.846 274 D CB -0.154 40.609 40.800 -0.062 0.000 0.962 274 D HN 0.622 nan 8.370 nan 0.000 0.490 275 I N 0.253 120.682 120.570 -0.235 0.000 2.585 275 I HA -0.106 4.307 4.170 0.404 0.000 0.254 275 I C 2.349 178.079 176.117 -0.645 0.000 1.129 275 I CA 0.317 61.331 61.300 -0.477 0.000 1.455 275 I CB 0.062 37.763 38.000 -0.498 0.000 1.111 275 I HN -0.204 nan 8.210 nan 0.000 0.433 276 V N 0.785 120.498 119.914 -0.335 0.000 2.591 276 V HA -0.083 4.280 4.120 0.404 0.000 0.249 276 V C 2.194 178.227 176.094 -0.101 0.000 1.053 276 V CA 1.571 63.769 62.300 -0.170 0.000 1.068 276 V CB -0.520 31.326 31.823 0.038 0.000 0.689 276 V HN 0.323 nan 8.190 nan 0.000 0.462 277 R N -0.173 120.254 120.500 -0.120 0.000 2.362 277 R HA 0.285 4.867 4.340 0.404 0.000 0.227 277 R C 0.634 176.867 176.300 -0.112 0.000 0.905 277 R CA -0.289 55.734 56.100 -0.128 0.000 1.067 277 R CB -0.010 30.174 30.300 -0.193 0.000 1.078 277 R HN 0.599 nan 8.270 nan 0.000 0.516 278 M N 1.051 120.590 119.600 -0.102 0.000 2.187 278 M HA -0.147 4.576 4.480 0.404 0.000 0.448 278 M C -0.567 175.734 176.300 0.002 0.000 1.308 278 M CA 1.095 56.365 55.300 -0.051 0.000 0.727 278 M CB 0.030 32.605 32.600 -0.042 0.000 1.947 278 M HN -0.069 nan 8.290 nan 0.000 0.535 279 E N 4.743 124.962 120.200 0.031 0.000 2.418 279 E HA 0.038 4.631 4.350 0.404 0.000 0.261 279 E C -1.553 175.113 176.600 0.109 0.000 1.070 279 E CA -1.202 55.243 56.400 0.074 0.000 0.931 279 E CB 0.134 29.907 29.700 0.122 0.000 0.954 279 E HN 0.506 nan 8.360 nan 0.000 0.439 280 P HA -0.310 nan 4.420 nan 0.000 0.221 280 P C 1.321 178.827 177.300 0.343 0.000 1.160 280 P CA 1.943 65.179 63.100 0.226 0.000 0.933 280 P CB -0.131 31.651 31.700 0.138 0.000 0.793 281 G N -0.162 108.765 108.800 0.212 0.000 2.553 281 G HA2 -0.319 3.884 3.960 0.404 0.000 0.218 281 G HA3 -0.319 3.884 3.960 0.404 0.000 0.218 281 G C 1.506 176.475 174.900 0.115 0.000 1.195 281 G CA 1.629 46.817 45.100 0.148 0.000 0.779 281 G HN 0.294 nan 8.290 nan 0.000 0.577 282 K N -0.109 120.353 120.400 0.104 0.000 2.001 282 K HA -0.118 4.445 4.320 0.404 0.000 0.214 282 K C 2.579 179.239 176.600 0.100 0.000 1.050 282 K CA 1.326 57.662 56.287 0.081 0.000 0.934 282 K CB -0.287 32.249 32.500 0.060 0.000 0.718 282 K HN 0.216 nan 8.250 nan 0.000 0.443 283 R N 1.039 121.628 120.500 0.149 0.000 2.143 283 R HA -0.242 4.340 4.340 0.404 0.000 0.239 283 R C 2.331 178.700 176.300 0.114 0.000 1.126 283 R CA 2.033 58.244 56.100 0.185 0.000 0.927 283 R CB -0.633 29.846 30.300 0.299 0.000 0.860 283 R HN 0.145 nan 8.270 nan 0.000 0.433 284 L N 1.822 123.085 121.223 0.068 0.000 2.081 284 L HA -0.212 4.371 4.340 0.404 0.000 0.212 284 L C 1.681 178.479 176.870 -0.121 0.000 1.080 284 L CA 1.863 56.528 54.840 -0.293 0.000 0.754 284 L CB -0.747 40.961 42.059 -0.584 0.000 0.893 284 L HN 0.307 nan 8.230 nan 0.000 0.433 285 N N -0.611 118.077 118.700 -0.019 0.000 2.142 285 N HA -0.137 4.845 4.740 0.404 0.000 0.186 285 N C 1.916 177.457 175.510 0.052 0.000 1.023 285 N CA 1.630 54.691 53.050 0.019 0.000 0.852 285 N CB -0.325 38.184 38.487 0.037 0.000 0.998 285 N HN 0.367 nan 8.380 nan 0.000 0.424 286 L N 1.082 122.337 121.223 0.054 0.000 2.017 286 L HA -0.111 4.472 4.340 0.404 0.000 0.208 286 L C 2.274 179.134 176.870 -0.018 0.000 1.073 286 L CA 0.907 55.790 54.840 0.072 0.000 0.745 286 L CB -0.469 41.642 42.059 0.086 0.000 0.894 286 L HN 0.079 nan 8.230 nan 0.000 0.432 287 I N -0.499 120.037 120.570 -0.057 0.000 2.145 287 I HA -0.380 4.032 4.170 0.404 0.000 0.244 287 I C 2.799 178.816 176.117 -0.165 0.000 1.075 287 I CA 1.504 62.733 61.300 -0.118 0.000 1.332 287 I CB -0.347 37.622 38.000 -0.052 0.000 1.033 287 I HN 0.211 nan 8.210 nan 0.000 0.410 288 R N -0.570 119.874 120.500 -0.094 0.000 2.081 288 R HA -0.217 4.366 4.340 0.404 0.000 0.235 288 R C 2.390 178.619 176.300 -0.117 0.000 1.131 288 R CA 1.752 57.781 56.100 -0.119 0.000 0.960 288 R CB -0.484 29.794 30.300 -0.037 0.000 0.856 288 R HN 0.342 nan 8.270 nan 0.000 0.436 289 Y N 1.231 121.435 120.300 -0.159 0.000 2.145 289 Y HA -0.215 4.577 4.550 0.404 0.000 0.286 289 Y C 1.880 177.634 175.900 -0.243 0.000 1.145 289 Y CA 1.659 59.687 58.100 -0.121 0.000 1.148 289 Y CB -0.177 38.278 38.460 -0.009 0.000 0.981 289 Y HN -0.063 nan 8.280 nan 0.000 0.507 290 I N -0.115 120.247 120.570 -0.347 0.000 2.099 290 I HA -0.354 4.059 4.170 0.404 0.000 0.239 290 I C 2.576 178.266 176.117 -0.711 0.000 1.066 290 I CA 1.454 62.325 61.300 -0.715 0.000 1.324 290 I CB -0.839 36.587 38.000 -0.957 0.000 1.037 290 I HN 0.304 nan 8.210 nan 0.000 0.401 291 L N 1.238 122.075 121.223 -0.644 0.000 2.103 291 L HA -0.287 4.296 4.340 0.404 0.000 0.215 291 L C 2.697 179.385 176.870 -0.303 0.000 1.080 291 L CA 2.031 56.558 54.840 -0.522 0.000 0.764 291 L CB -0.700 40.983 42.059 -0.625 0.000 0.890 291 L HN 0.323 nan 8.230 nan 0.000 0.435 292 R N -0.660 119.662 120.500 -0.298 0.000 2.082 292 R HA -0.151 4.431 4.340 0.404 0.000 0.228 292 R C 2.267 178.477 176.300 -0.150 0.000 1.140 292 R CA 1.548 57.523 56.100 -0.207 0.000 0.920 292 R CB -0.341 29.822 30.300 -0.228 0.000 0.828 292 R HN 0.429 nan 8.270 nan 0.000 0.430 293 R N -0.062 120.309 120.500 -0.215 0.000 2.191 293 R HA -0.266 4.317 4.340 0.404 0.000 0.248 293 R C 2.301 178.659 176.300 0.097 0.000 1.127 293 R CA 2.135 58.194 56.100 -0.067 0.000 0.943 293 R CB -1.072 29.197 30.300 -0.051 0.000 0.891 293 R HN 0.312 nan 8.270 nan 0.000 0.439 294 Y N 0.922 121.147 120.300 -0.126 0.000 2.014 294 Y HA -0.235 4.557 4.550 0.404 0.000 0.272 294 Y C 2.719 178.586 175.900 -0.055 0.000 1.164 294 Y CA 0.745 58.789 58.100 -0.093 0.000 1.114 294 Y CB -1.236 37.181 38.460 -0.071 0.000 0.961 294 Y HN -0.170 nan 8.280 nan 0.000 0.489 295 V N 0.213 120.201 119.914 0.122 0.000 2.231 295 V HA -0.380 3.983 4.120 0.404 0.000 0.250 295 V C 2.477 178.604 176.094 0.055 0.000 1.058 295 V CA 2.447 64.788 62.300 0.069 0.000 1.022 295 V CB -0.677 31.158 31.823 0.020 0.000 0.640 295 V HN 0.350 nan 8.190 nan 0.000 0.445 296 K N -0.452 119.968 120.400 0.033 0.000 2.063 296 K HA -0.192 4.370 4.320 0.404 0.000 0.208 296 K C 2.006 178.646 176.600 0.066 0.000 1.048 296 K CA 1.713 58.021 56.287 0.034 0.000 0.928 296 K CB -0.291 32.216 32.500 0.012 0.000 0.713 296 K HN 0.499 nan 8.250 nan 0.000 0.442 297 A N -0.163 122.704 122.820 0.077 0.000 2.169 297 A HA 0.077 4.640 4.320 0.404 0.000 0.212 297 A C 1.578 179.254 177.584 0.153 0.000 1.153 297 A CA 0.631 52.731 52.037 0.105 0.000 0.756 297 A CB 0.109 19.146 19.000 0.062 0.000 0.813 297 A HN 0.255 nan 8.150 nan 0.000 0.471 298 L N -1.217 120.077 121.223 0.119 0.000 2.817 298 L HA 0.117 4.699 4.340 0.404 0.000 0.248 298 L C 2.242 179.281 176.870 0.281 0.000 1.133 298 L CA 0.217 55.154 54.840 0.161 0.000 0.935 298 L CB 0.140 42.141 42.059 -0.096 0.000 1.266 298 L HN 0.449 nan 8.230 nan 0.000 0.535 299 R N -0.997 119.597 120.500 0.158 0.000 2.148 299 R HA -0.043 4.539 4.340 0.404 0.000 0.223 299 R C 0.724 177.027 176.300 0.004 0.000 1.088 299 R CA 1.144 57.264 56.100 0.034 0.000 0.985 299 R CB -0.428 29.851 30.300 -0.036 0.000 0.880 299 R HN 0.071 nan 8.270 nan 0.000 0.451 300 D N -0.128 120.299 120.400 0.045 0.000 2.363 300 D HA -0.032 4.850 4.640 0.404 0.000 0.226 300 D C 0.014 176.179 176.300 -0.226 0.000 1.020 300 D CA 0.738 54.667 54.000 -0.119 0.000 0.892 300 D CB 0.176 40.848 40.800 -0.214 0.000 0.900 300 D HN 0.402 nan 8.370 nan 0.000 0.531 301 Y N -1.351 118.998 120.300 0.081 0.000 2.588 301 Y HA 0.369 5.162 4.550 0.405 0.000 0.247 301 Y C 1.575 177.523 175.900 0.080 0.000 1.157 301 Y CA -0.214 57.965 58.100 0.130 0.000 1.215 301 Y CB 1.064 39.644 38.460 0.200 0.000 1.245 301 Y HN -0.048 nan 8.280 nan 0.000 0.534 302 G N -0.951 107.917 108.800 0.114 0.000 2.135 302 G HA2 -0.244 3.958 3.960 0.404 0.000 0.183 302 G HA3 -0.244 3.958 3.960 0.404 0.000 0.183 302 G C -0.575 174.295 174.900 -0.050 0.000 1.004 302 G CA -0.770 44.302 45.100 -0.046 0.000 0.677 302 G HN 0.255 nan 8.290 nan 0.000 0.512 303 W N 0.074 121.384 121.300 0.017 0.000 2.391 303 W HA 0.729 5.632 4.660 0.404 0.000 0.311 303 W C -0.208 176.261 176.519 -0.084 0.000 1.087 303 W CA -0.943 56.490 57.345 0.146 0.000 1.209 303 W CB 0.865 30.404 29.460 0.132 0.000 1.273 303 W HN 0.136 nan 8.180 nan 0.000 0.482 304 Y N 4.678 125.228 120.300 0.417 0.000 2.345 304 Y HA 0.506 5.298 4.550 0.404 0.000 0.331 304 Y C -0.004 176.045 175.900 0.249 0.000 0.959 304 Y CA -0.824 57.431 58.100 0.259 0.000 1.204 304 Y CB 0.686 39.244 38.460 0.164 0.000 1.135 304 Y HN 0.103 nan 8.280 nan 0.000 0.477 305 I N 2.434 123.175 120.570 0.285 0.000 2.411 305 I HA 0.196 4.608 4.170 0.404 0.000 0.284 305 I C 0.101 176.299 176.117 0.136 0.000 1.012 305 I CA -0.805 60.616 61.300 0.201 0.000 1.119 305 I CB 1.670 39.758 38.000 0.147 0.000 1.261 305 I HN 0.471 nan 8.210 nan 0.000 0.448 306 S N 8.265 124.047 115.700 0.137 0.000 2.626 306 S HA 0.080 4.793 4.470 0.404 0.000 0.303 306 S C -1.115 173.541 174.600 0.093 0.000 1.256 306 S CA -0.741 57.525 58.200 0.110 0.000 1.069 306 S CB 0.469 63.731 63.200 0.104 0.000 0.807 306 S HN 0.502 nan 8.310 nan 0.000 0.500 307 P HA 0.080 nan 4.420 nan 0.000 0.247 307 P C -0.303 177.062 177.300 0.108 0.000 1.225 307 P CA 0.480 63.577 63.100 -0.006 0.000 0.768 307 P CB 0.072 31.768 31.700 -0.007 0.000 1.020 308 E N 0.663 120.984 120.200 0.201 0.000 2.187 308 E HA 0.236 4.829 4.350 0.404 0.000 0.268 308 E C -0.555 176.149 176.600 0.173 0.000 0.896 308 E CA -0.773 55.735 56.400 0.180 0.000 0.766 308 E CB 1.532 31.283 29.700 0.084 0.000 1.142 308 E HN 0.038 nan 8.360 nan 0.000 0.408 309 E N 2.326 122.554 120.200 0.048 0.000 2.384 309 E HA 0.000 4.593 4.350 0.404 0.000 0.266 309 E C -0.100 176.391 176.600 -0.182 0.000 1.012 309 E CA 0.053 56.297 56.400 -0.261 0.000 0.901 309 E CB 0.505 30.061 29.700 -0.239 0.000 0.967 309 E HN 0.202 nan 8.360 nan 0.000 0.435 310 E N 2.316 122.352 120.200 -0.274 0.000 2.442 310 E HA -0.004 4.588 4.350 0.404 0.000 0.260 310 E C -0.100 176.432 176.600 -0.113 0.000 1.148 310 E CA 0.495 56.798 56.400 -0.163 0.000 0.976 310 E CB 0.497 29.978 29.700 -0.366 0.000 0.967 310 E HN 0.347 nan 8.360 nan 0.000 0.454 311 R N 0.003 120.540 120.500 0.062 0.000 2.637 311 R HA 0.504 5.087 4.340 0.404 0.000 0.291 311 R C -0.470 175.972 176.300 0.237 0.000 0.963 311 R CA -0.949 55.217 56.100 0.111 0.000 0.901 311 R CB 1.750 32.109 30.300 0.099 0.000 1.160 311 R HN 0.525 nan 8.270 nan 0.000 0.457 312 A N 2.339 125.319 122.820 0.266 0.000 2.580 312 A HA -0.097 4.466 4.320 0.404 0.000 0.244 312 A C 1.210 178.815 177.584 0.035 0.000 1.045 312 A CA 0.483 52.699 52.037 0.298 0.000 0.761 312 A CB 0.110 19.345 19.000 0.392 0.000 0.962 312 A HN 0.888 nan 8.150 nan 0.000 0.512 313 K N 2.014 122.285 120.400 -0.215 0.000 2.288 313 K HA 0.106 4.669 4.320 0.404 0.000 0.201 313 K C 0.888 177.279 176.600 -0.348 0.000 1.048 313 K CA 1.290 57.363 56.287 -0.357 0.000 0.956 313 K CB -0.078 32.095 32.500 -0.545 0.000 0.746 313 K HN 1.079 nan 8.250 nan 0.000 0.461 314 G N 0.127 108.670 108.800 -0.429 0.000 2.399 314 G HA2 0.121 4.324 3.960 0.404 0.000 0.256 314 G HA3 0.121 4.324 3.960 0.404 0.000 0.256 314 G C -1.854 172.902 174.900 -0.241 0.000 1.236 314 G CA -0.779 44.187 45.100 -0.223 0.000 0.914 314 G HN 0.066 nan 8.290 nan 0.000 0.482 315 K N 0.218 120.533 120.400 -0.142 0.000 2.397 315 K HA 0.695 5.258 4.320 0.404 0.000 0.253 315 K C -0.713 175.885 176.600 -0.003 0.000 0.932 315 K CA -0.728 55.459 56.287 -0.166 0.000 0.795 315 K CB 1.425 33.736 32.500 -0.316 0.000 1.159 315 K HN 0.385 nan 8.250 nan 0.000 0.424 316 L N 3.770 124.976 121.223 -0.028 0.000 2.276 316 L HA 0.319 4.901 4.340 0.404 0.000 0.286 316 L C -0.041 176.854 176.870 0.042 0.000 1.061 316 L CA -0.963 53.831 54.840 -0.075 0.000 0.807 316 L CB 1.076 43.007 42.059 -0.214 0.000 1.177 316 L HN 0.677 nan 8.230 nan 0.000 0.429 317 N N 2.861 121.563 118.700 0.003 0.000 2.503 317 N HA 0.574 5.556 4.740 0.404 0.000 0.267 317 N C -0.769 174.774 175.510 0.055 0.000 1.214 317 N CA 0.057 53.090 53.050 -0.029 0.000 0.959 317 N CB 0.940 39.373 38.487 -0.090 0.000 1.142 317 N HN 0.388 nan 8.380 nan 0.000 0.455 318 F N -2.131 117.772 119.950 -0.077 0.000 2.668 318 F HA 0.522 5.293 4.527 0.406 0.000 0.309 318 F C -0.866 174.890 175.800 -0.074 0.000 1.117 318 F CA -1.212 56.738 58.000 -0.083 0.000 0.951 318 F CB 1.105 40.045 39.000 -0.100 0.000 1.323 318 F HN 0.040 nan 8.300 nan 0.000 0.451 319 K N 1.853 122.279 120.400 0.043 0.000 2.262 319 K HA 0.169 4.731 4.320 0.404 0.000 0.288 319 K C -0.726 175.844 176.600 -0.050 0.000 1.090 319 K CA -0.053 56.190 56.287 -0.073 0.000 0.918 319 K CB 0.387 32.885 32.500 -0.004 0.000 1.139 319 K HN 0.740 nan 8.250 nan 0.000 0.462 320 D N 0.444 120.679 120.400 -0.274 0.000 2.424 320 D HA -0.002 4.881 4.640 0.404 0.000 0.220 320 D C -0.061 176.148 176.300 -0.152 0.000 1.150 320 D CA -0.305 53.586 54.000 -0.183 0.000 0.831 320 D CB 0.418 40.967 40.800 -0.419 0.000 0.981 320 D HN 0.019 nan 8.370 nan 0.000 0.500 321 T N 0.206 114.682 114.554 -0.130 0.000 2.889 321 T HA 0.496 5.089 4.350 0.404 0.000 0.291 321 T C -0.616 174.034 174.700 -0.083 0.000 0.995 321 T CA -0.371 61.653 62.100 -0.128 0.000 1.092 321 T CB 1.801 70.606 68.868 -0.106 0.000 0.954 321 T HN -0.088 nan 8.240 nan 0.000 0.506 322 V N 4.733 124.567 119.914 -0.132 0.000 2.808 322 V HA 0.716 5.079 4.120 0.404 0.000 0.308 322 V C -1.429 174.642 176.094 -0.037 0.000 1.099 322 V CA -0.845 61.414 62.300 -0.068 0.000 0.920 322 V CB 1.819 33.517 31.823 -0.210 0.000 1.014 322 V HN 0.786 nan 8.190 nan 0.000 0.425 323 L N 2.787 124.140 121.223 0.216 0.000 2.434 323 L HA 0.897 5.480 4.340 0.404 0.000 0.260 323 L C -0.571 176.640 176.870 0.569 0.000 0.983 323 L CA -0.595 54.445 54.840 0.334 0.000 0.820 323 L CB 1.892 44.083 42.059 0.220 0.000 1.361 323 L HN 0.602 nan 8.230 nan 0.000 0.410 324 D N 1.958 122.700 120.400 0.569 0.000 2.507 324 D HA 0.474 5.357 4.640 0.404 0.000 0.280 324 D C 0.948 177.305 176.300 0.095 0.000 1.219 324 D CA -0.082 54.220 54.000 0.502 0.000 1.085 324 D CB 0.934 41.885 40.800 0.251 0.000 1.134 324 D HN 0.764 nan 8.370 nan 0.000 0.583 325 A N -1.032 121.511 122.820 -0.461 0.000 2.167 325 A HA -0.033 4.529 4.320 0.404 0.000 0.214 325 A C 1.850 179.206 177.584 -0.381 0.000 1.151 325 A CA 0.764 52.204 52.037 -0.996 0.000 0.735 325 A CB -0.492 17.834 19.000 -1.123 0.000 0.802 325 A HN 0.485 nan 8.150 nan 0.000 0.467 326 K N -2.157 118.138 120.400 -0.175 0.000 2.308 326 K HA 0.241 4.804 4.320 0.404 0.000 0.197 326 K C 1.163 177.760 176.600 -0.005 0.000 1.049 326 K CA 0.649 56.889 56.287 -0.080 0.000 0.991 326 K CB 0.268 32.733 32.500 -0.058 0.000 0.836 326 K HN 0.558 nan 8.250 nan 0.000 0.500 327 G N 1.671 110.504 108.800 0.056 0.000 2.211 327 G HA2 -0.214 3.989 3.960 0.404 0.000 0.201 327 G HA3 -0.214 3.989 3.960 0.404 0.000 0.201 327 G C -0.500 174.478 174.900 0.130 0.000 0.997 327 G CA -0.490 44.669 45.100 0.100 0.000 0.652 327 G HN 0.132 nan 8.290 nan 0.000 0.500 328 K N 1.885 122.380 120.400 0.158 0.000 2.491 328 K HA 0.310 4.873 4.320 0.404 0.000 0.279 328 K C 0.189 176.993 176.600 0.340 0.000 1.026 328 K CA 0.884 57.312 56.287 0.236 0.000 1.070 328 K CB 0.182 32.840 32.500 0.263 0.000 0.887 328 K HN 0.612 nan 8.250 nan 0.000 0.481 329 N N 1.166 119.954 118.700 0.147 0.000 2.329 329 N HA 0.445 5.427 4.740 0.404 0.000 0.282 329 N C -1.125 174.220 175.510 -0.275 0.000 1.198 329 N CA -0.800 52.183 53.050 -0.111 0.000 0.790 329 N CB 2.177 40.635 38.487 -0.048 0.000 1.579 329 N HN 0.333 nan 8.380 nan 0.000 0.475 330 T N 0.021 114.260 114.554 -0.525 0.000 2.942 330 T HA 0.297 4.890 4.350 0.404 0.000 0.327 330 T C -1.009 173.461 174.700 -0.383 0.000 1.360 330 T CA -0.763 61.104 62.100 -0.388 0.000 1.055 330 T CB 1.853 70.503 68.868 -0.363 0.000 1.261 330 T HN 0.390 nan 8.240 nan 0.000 0.485 331 K N 1.717 121.968 120.400 -0.248 0.000 2.349 331 K HA 0.416 4.979 4.320 0.404 0.000 0.288 331 K C -0.244 176.231 176.600 -0.209 0.000 1.058 331 K CA -0.493 55.662 56.287 -0.219 0.000 0.953 331 K CB 0.562 32.957 32.500 -0.175 0.000 0.997 331 K HN 0.275 nan 8.250 nan 0.000 0.477 332 V N 6.256 126.044 119.914 -0.210 0.000 2.421 332 V HA 0.002 4.364 4.120 0.404 0.000 0.271 332 V C 1.000 177.034 176.094 -0.100 0.000 1.031 332 V CA 0.383 62.586 62.300 -0.162 0.000 1.032 332 V CB -0.518 31.215 31.823 -0.149 0.000 1.009 332 V HN 0.663 nan 8.190 nan 0.000 0.477 333 I N 2.993 123.512 120.570 -0.085 0.000 4.728 333 I HA 0.149 4.562 4.170 0.404 0.000 0.233 333 I C 1.403 177.441 176.117 -0.132 0.000 1.004 333 I CA 0.294 61.563 61.300 -0.052 0.000 1.677 333 I CB -0.223 37.804 38.000 0.045 0.000 1.509 333 I HN 0.553 nan 8.210 nan 0.000 0.463 334 T N 0.906 115.375 114.554 -0.142 0.000 2.994 334 T HA 0.204 4.797 4.350 0.404 0.000 0.322 334 T C -0.047 174.536 174.700 -0.195 0.000 1.199 334 T CA -0.585 61.404 62.100 -0.185 0.000 0.945 334 T CB -0.189 68.590 68.868 -0.149 0.000 1.754 334 T HN 0.277 nan 8.240 nan 0.000 0.571 335 N N -0.146 118.376 118.700 -0.297 0.000 2.202 335 N HA 0.241 5.223 4.740 0.404 0.000 0.218 335 N C -1.030 174.367 175.510 -0.188 0.000 1.328 335 N CA -0.350 52.476 53.050 -0.374 0.000 0.884 335 N CB 0.090 38.068 38.487 -0.847 0.000 1.106 335 N HN 0.317 nan 8.380 nan 0.000 0.439 336 L N 0.539 121.695 121.223 -0.111 0.000 2.433 336 L HA 0.329 4.912 4.340 0.404 0.000 0.256 336 L C 1.007 177.922 176.870 0.074 0.000 1.063 336 L CA -0.289 54.550 54.840 -0.001 0.000 0.922 336 L CB 0.703 42.783 42.059 0.034 0.000 1.238 336 L HN 0.501 nan 8.230 nan 0.000 0.466 337 R N 1.138 121.671 120.500 0.054 0.000 2.153 337 R HA -0.243 4.339 4.340 0.404 0.000 0.252 337 R C 1.522 177.924 176.300 0.169 0.000 1.158 337 R CA 1.730 57.933 56.100 0.173 0.000 0.975 337 R CB 0.037 30.470 30.300 0.223 0.000 0.871 337 R HN 0.536 nan 8.270 nan 0.000 0.450 338 K N -0.448 120.038 120.400 0.144 0.000 2.057 338 K HA -0.160 4.403 4.320 0.404 0.000 0.207 338 K C 1.894 178.606 176.600 0.186 0.000 1.049 338 K CA 1.293 57.667 56.287 0.145 0.000 0.931 338 K CB -0.227 32.346 32.500 0.121 0.000 0.714 338 K HN 0.025 nan 8.250 nan 0.000 0.440 339 F N 1.521 121.495 119.950 0.040 0.000 2.102 339 F HA -0.173 4.596 4.527 0.403 0.000 0.298 339 F C 1.733 177.592 175.800 0.099 0.000 1.105 339 F CA 1.326 59.348 58.000 0.036 0.000 1.239 339 F CB -0.305 38.676 39.000 -0.031 0.000 0.991 339 F HN -0.069 nan 8.300 nan 0.000 0.474 340 L N -0.100 121.197 121.223 0.122 0.000 2.141 340 L HA -0.187 4.395 4.340 0.404 0.000 0.209 340 L C 2.333 179.321 176.870 0.197 0.000 1.094 340 L CA 1.293 56.210 54.840 0.127 0.000 0.763 340 L CB -0.526 41.687 42.059 0.256 0.000 0.908 340 L HN 0.192 nan 8.230 nan 0.000 0.437 341 E N 0.008 120.322 120.200 0.190 0.000 2.017 341 E HA -0.225 4.368 4.350 0.404 0.000 0.193 341 E C 1.952 178.612 176.600 0.099 0.000 0.997 341 E CA 1.241 57.788 56.400 0.245 0.000 0.804 341 E CB -0.217 29.592 29.700 0.181 0.000 0.757 341 E HN 0.422 nan 8.360 nan 0.000 0.448 342 L N 0.926 122.154 121.223 0.009 0.000 2.599 342 L HA 0.060 4.643 4.340 0.404 0.000 0.230 342 L C 1.226 177.997 176.870 -0.164 0.000 1.141 342 L CA -0.372 54.436 54.840 -0.053 0.000 0.877 342 L CB -0.039 42.016 42.059 -0.007 0.000 1.009 342 L HN 0.189 nan 8.230 nan 0.000 0.447 343 C N 1.709 120.850 119.300 -0.266 0.000 2.652 343 C HA 0.322 5.024 4.460 0.404 0.000 0.412 343 C C 0.655 175.502 174.990 -0.238 0.000 1.294 343 C CA -0.474 58.282 59.018 -0.436 0.000 2.127 343 C CB -0.124 27.285 27.740 -0.551 0.000 2.691 343 C HN 0.434 nan 8.230 nan 0.000 0.615 344 R N 5.554 125.941 120.500 -0.188 0.000 2.545 344 R HA 0.357 4.939 4.340 0.404 0.000 0.289 344 R C -2.664 173.577 176.300 -0.099 0.000 1.327 344 R CA -1.203 54.810 56.100 -0.144 0.000 1.040 344 R CB 1.574 31.789 30.300 -0.142 0.000 1.176 344 R HN 0.671 nan 8.270 nan 0.000 0.518 345 P HA 0.095 nan 4.420 nan 0.000 0.274 345 P C -0.531 176.801 177.300 0.054 0.000 1.246 345 P CA -0.322 62.820 63.100 0.071 0.000 0.795 345 P CB 0.590 32.300 31.700 0.016 0.000 1.006 346 F N 0.152 120.074 119.950 -0.047 0.000 2.509 346 F HA 0.089 4.860 4.527 0.407 0.000 0.350 346 F C 0.546 176.312 175.800 -0.057 0.000 1.220 346 F CA -0.339 57.640 58.000 -0.036 0.000 1.151 346 F CB -0.455 38.532 39.000 -0.022 0.000 1.379 346 F HN -0.085 nan 8.300 nan 0.000 0.610 347 V N 5.002 124.944 119.914 0.047 0.000 2.403 347 V HA -0.006 4.357 4.120 0.404 0.000 0.265 347 V C 1.111 177.216 176.094 0.018 0.000 1.034 347 V CA 0.140 62.444 62.300 0.008 0.000 1.036 347 V CB 0.539 32.342 31.823 -0.032 0.000 1.032 347 V HN 0.660 nan 8.190 nan 0.000 0.478 348 K N 2.912 123.321 120.400 0.016 0.000 2.244 348 K HA 0.187 4.750 4.320 0.404 0.000 0.200 348 K C 0.863 177.458 176.600 -0.008 0.000 1.052 348 K CA 0.493 56.785 56.287 0.009 0.000 0.980 348 K CB 0.372 32.877 32.500 0.008 0.000 0.838 348 K HN 0.548 nan 8.250 nan 0.000 0.481 349 K N 0.977 121.366 120.400 -0.018 0.000 2.613 349 K HA 0.049 4.612 4.320 0.404 0.000 0.248 349 K C -1.192 175.392 176.600 -0.026 0.000 0.959 349 K CA -0.242 56.031 56.287 -0.022 0.000 0.855 349 K CB 1.208 33.694 32.500 -0.024 0.000 1.143 349 K HN -0.040 nan 8.250 nan 0.000 0.437 350 D N 1.904 122.289 120.400 -0.025 0.000 2.389 350 D HA 0.025 4.907 4.640 0.404 0.000 0.206 350 D C 0.053 176.337 176.300 -0.028 0.000 1.055 350 D CA 0.027 54.009 54.000 -0.030 0.000 0.856 350 D CB 0.405 41.187 40.800 -0.031 0.000 0.957 350 D HN 0.101 nan 8.370 nan 0.000 0.509 351 V N 1.176 121.075 119.914 -0.023 0.000 2.394 351 V HA 0.424 4.787 4.120 0.404 0.000 0.282 351 V C -0.132 175.949 176.094 -0.021 0.000 1.031 351 V CA -0.782 61.505 62.300 -0.021 0.000 0.881 351 V CB 1.464 33.276 31.823 -0.017 0.000 0.982 351 V HN 0.094 nan 8.190 nan 0.000 0.451 352 L N 4.203 125.413 121.223 -0.021 0.000 2.341 352 L HA 0.593 5.176 4.340 0.404 0.000 0.278 352 L C 0.307 177.166 176.870 -0.017 0.000 1.005 352 L CA -0.433 54.394 54.840 -0.021 0.000 0.818 352 L CB 2.248 44.291 42.059 -0.026 0.000 1.259 352 L HN 0.765 nan 8.230 nan 0.000 0.418 353 S N 2.858 118.549 115.700 -0.016 0.000 2.404 353 S HA 0.551 5.263 4.470 0.404 0.000 0.309 353 S C -0.294 174.298 174.600 -0.015 0.000 1.076 353 S CA -0.759 57.433 58.200 -0.013 0.000 1.095 353 S CB 0.643 63.837 63.200 -0.011 0.000 0.972 353 S HN 0.307 nan 8.310 nan 0.000 0.484 354 V N 2.644 122.551 119.914 -0.012 0.000 2.732 354 V HA 0.515 4.877 4.120 0.404 0.000 0.297 354 V C 0.378 176.467 176.094 -0.009 0.000 1.060 354 V CA -0.776 61.515 62.300 -0.014 0.000 1.038 354 V CB 0.740 32.557 31.823 -0.010 0.000 1.003 354 V HN 0.916 nan 8.190 nan 0.000 0.481 355 E N 2.353 122.544 120.200 -0.016 0.000 2.179 355 E HA 0.645 5.237 4.350 0.404 0.000 0.275 355 E C -1.139 175.453 176.600 -0.013 0.000 0.945 355 E CA -0.499 55.896 56.400 -0.008 0.000 0.792 355 E CB 1.604 31.297 29.700 -0.012 0.000 1.125 355 E HN 0.658 nan 8.360 nan 0.000 0.397 356 I N 4.755 125.330 120.570 0.009 0.000 2.460 356 I HA 0.412 4.824 4.170 0.404 0.000 0.298 356 I C -0.397 175.737 176.117 0.029 0.000 0.989 356 I CA -0.673 60.636 61.300 0.017 0.000 1.173 356 I CB 1.255 39.298 38.000 0.072 0.000 1.338 356 I HN 0.439 nan 8.210 nan 0.000 0.456 357 I N 4.263 124.843 120.570 0.015 0.000 2.545 357 I HA 0.333 4.746 4.170 0.404 0.000 0.292 357 I C -0.450 175.733 176.117 0.109 0.000 1.040 357 I CA -0.327 61.002 61.300 0.049 0.000 1.068 357 I CB 2.192 40.204 38.000 0.019 0.000 1.251 357 I HN 0.443 nan 8.210 nan 0.000 0.424 358 S N 4.997 120.787 115.700 0.149 0.000 2.532 358 S HA 0.709 5.422 4.470 0.404 0.000 0.299 358 S C -1.051 173.636 174.600 0.146 0.000 1.105 358 S CA -0.485 57.834 58.200 0.200 0.000 1.018 358 S CB 1.537 64.879 63.200 0.237 0.000 1.021 358 S HN 0.294 nan 8.310 nan 0.000 0.483 359 V N 4.376 124.385 119.914 0.159 0.000 2.483 359 V HA 0.894 5.257 4.120 0.404 0.000 0.295 359 V C -0.346 175.838 176.094 0.150 0.000 1.035 359 V CA -0.205 62.195 62.300 0.168 0.000 0.896 359 V CB 1.400 33.354 31.823 0.218 0.000 0.986 359 V HN 1.106 nan 8.190 nan 0.000 0.447 360 S N 2.194 117.981 115.700 0.145 0.000 2.614 360 S HA 0.356 5.069 4.470 0.404 0.000 0.280 360 S C -0.077 174.542 174.600 0.032 0.000 1.111 360 S CA -0.493 57.740 58.200 0.056 0.000 0.847 360 S CB 1.210 64.432 63.200 0.036 0.000 1.079 360 S HN 0.202 nan 8.310 nan 0.000 0.452 361 V N 0.141 120.000 119.914 -0.091 0.000 2.323 361 V HA 0.063 4.426 4.120 0.404 0.000 0.244 361 V C 0.281 176.127 176.094 -0.414 0.000 1.041 361 V CA 1.423 63.544 62.300 -0.297 0.000 1.025 361 V CB -0.862 30.628 31.823 -0.554 0.000 0.656 361 V HN 0.797 nan 8.190 nan 0.000 0.451 362 Y N -1.434 118.891 120.300 0.041 0.000 2.650 362 Y HA 0.419 5.212 4.550 0.405 0.000 0.331 362 Y C 1.194 177.118 175.900 0.041 0.000 1.082 362 Y CA -0.890 57.235 58.100 0.040 0.000 1.171 362 Y CB 1.390 39.871 38.460 0.035 0.000 1.326 362 Y HN -0.328 nan 8.280 nan 0.000 0.513 363 K N 0.052 120.591 120.400 0.232 0.000 2.262 363 K HA 0.083 4.646 4.320 0.404 0.000 0.200 363 K C 0.507 177.175 176.600 0.114 0.000 1.049 363 K CA 0.859 57.228 56.287 0.136 0.000 0.979 363 K CB 0.277 32.844 32.500 0.112 0.000 0.773 363 K HN 0.433 nan 8.250 nan 0.000 0.474 364 K N 0.851 121.323 120.400 0.121 0.000 2.537 364 K HA 0.198 4.761 4.320 0.404 0.000 0.206 364 K C -0.109 176.574 176.600 0.138 0.000 1.041 364 K CA -0.016 56.334 56.287 0.105 0.000 1.090 364 K CB 0.997 33.543 32.500 0.078 0.000 0.833 364 K HN 0.128 nan 8.250 nan 0.000 0.493 365 L N 1.471 122.782 121.223 0.146 0.000 3.048 365 L HA 0.200 4.783 4.340 0.404 0.000 0.234 365 L C 0.767 177.671 176.870 0.057 0.000 1.318 365 L CA -0.097 54.855 54.840 0.187 0.000 1.109 365 L CB 0.322 42.483 42.059 0.170 0.000 1.480 365 L HN -0.102 nan 8.230 nan 0.000 0.495 366 E N 0.660 120.897 120.200 0.062 0.000 2.489 366 E HA -0.087 4.506 4.350 0.404 0.000 0.193 366 E C 1.661 178.190 176.600 -0.118 0.000 1.057 366 E CA 0.152 56.514 56.400 -0.064 0.000 0.866 366 E CB 0.127 29.819 29.700 -0.014 0.000 0.916 366 E HN 0.649 nan 8.360 nan 0.000 0.500 367 W N 1.649 122.917 121.300 -0.054 0.000 2.335 367 W HA -0.158 4.745 4.660 0.405 0.000 0.311 367 W C 1.371 177.856 176.519 -0.057 0.000 1.213 367 W CA 0.559 57.878 57.345 -0.044 0.000 1.274 367 W CB -1.012 28.433 29.460 -0.025 0.000 1.148 367 W HN -0.023 nan 8.180 nan 0.000 0.498 368 R N 1.236 121.050 120.500 -1.143 0.000 2.083 368 R HA -0.157 4.426 4.340 0.404 0.000 0.237 368 R C 2.300 178.346 176.300 -0.423 0.000 1.137 368 R CA 2.296 57.880 56.100 -0.860 0.000 0.951 368 R CB -0.575 29.118 30.300 -1.011 0.000 0.851 368 R HN 0.282 nan 8.270 nan 0.000 0.434 369 K N 0.481 120.552 120.400 -0.548 0.000 2.026 369 K HA -0.193 4.370 4.320 0.404 0.000 0.208 369 K C 2.113 178.512 176.600 -0.336 0.000 1.048 369 K CA 1.539 57.376 56.287 -0.751 0.000 0.929 369 K CB -0.139 31.628 32.500 -1.221 0.000 0.713 369 K HN 0.062 nan 8.250 nan 0.000 0.439 370 E N 1.625 121.718 120.200 -0.179 0.000 2.085 370 E HA -0.212 4.380 4.350 0.404 0.000 0.194 370 E C 1.650 178.275 176.600 0.041 0.000 0.994 370 E CA 1.645 58.038 56.400 -0.013 0.000 0.801 370 E CB 0.048 29.770 29.700 0.037 0.000 0.743 370 E HN 0.282 nan 8.360 nan 0.000 0.453 371 E N -0.626 119.610 120.200 0.060 0.000 2.031 371 E HA -0.171 4.421 4.350 0.404 0.000 0.193 371 E C 1.849 178.497 176.600 0.080 0.000 0.994 371 E CA 1.266 57.721 56.400 0.091 0.000 0.800 371 E CB -0.400 29.390 29.700 0.149 0.000 0.752 371 E HN 0.324 nan 8.360 nan 0.000 0.447 372 F N 1.166 121.092 119.950 -0.040 0.000 2.115 372 F HA -0.270 4.499 4.527 0.404 0.000 0.300 372 F C 2.055 177.887 175.800 0.054 0.000 1.092 372 F CA 1.256 59.253 58.000 -0.005 0.000 1.245 372 F CB -0.198 38.794 39.000 -0.013 0.000 0.995 372 F HN 0.025 nan 8.300 nan 0.000 0.481 373 L N 0.681 121.972 121.223 0.113 0.000 2.027 373 L HA -0.171 4.412 4.340 0.404 0.000 0.206 373 L C 2.388 179.231 176.870 -0.045 0.000 1.074 373 L CA 1.831 56.718 54.840 0.078 0.000 0.745 373 L CB -0.878 41.309 42.059 0.214 0.000 0.898 373 L HN 0.039 nan 8.230 nan 0.000 0.433 374 K N -0.689 119.702 120.400 -0.015 0.000 2.044 374 K HA -0.276 4.287 4.320 0.404 0.000 0.210 374 K C 2.097 178.660 176.600 -0.061 0.000 1.049 374 K CA 2.056 58.332 56.287 -0.018 0.000 0.927 374 K CB -0.110 32.397 32.500 0.011 0.000 0.713 374 K HN 0.283 nan 8.250 nan 0.000 0.443 375 E N 0.482 120.607 120.200 -0.126 0.000 2.285 375 E HA -0.038 4.554 4.350 0.404 0.000 0.194 375 E C 1.712 178.209 176.600 -0.172 0.000 0.997 375 E CA 0.356 56.677 56.400 -0.132 0.000 0.845 375 E CB 0.147 29.764 29.700 -0.138 0.000 0.782 375 E HN 0.172 nan 8.360 nan 0.000 0.491 376 L N -0.114 120.919 121.223 -0.317 0.000 1.988 376 L HA -0.151 4.432 4.340 0.404 0.000 0.207 376 L C 2.223 179.068 176.870 -0.042 0.000 1.071 376 L CA 1.078 55.777 54.840 -0.234 0.000 0.744 376 L CB -0.418 41.446 42.059 -0.326 0.000 0.893 376 L HN 0.185 nan 8.230 nan 0.000 0.433 377 I N 0.135 120.676 120.570 -0.048 0.000 2.145 377 I HA -0.393 4.019 4.170 0.404 0.000 0.244 377 I C 2.400 178.522 176.117 0.008 0.000 1.075 377 I CA 1.692 62.986 61.300 -0.009 0.000 1.332 377 I CB -0.505 37.491 38.000 -0.006 0.000 1.033 377 I HN 0.382 nan 8.210 nan 0.000 0.410 378 N N 0.954 119.662 118.700 0.013 0.000 2.007 378 N HA -0.290 4.692 4.740 0.404 0.000 0.197 378 N C 1.854 177.395 175.510 0.053 0.000 1.050 378 N CA 1.856 54.922 53.050 0.027 0.000 0.856 378 N CB -0.523 37.985 38.487 0.034 0.000 1.050 378 N HN 0.290 nan 8.380 nan 0.000 0.423 379 F N 1.149 121.056 119.950 -0.073 0.000 2.043 379 F HA -0.171 4.598 4.527 0.403 0.000 0.297 379 F C 2.158 177.923 175.800 -0.059 0.000 1.118 379 F CA 1.578 59.539 58.000 -0.066 0.000 1.202 379 F CB -0.669 38.281 39.000 -0.083 0.000 0.965 379 F HN 0.118 nan 8.300 nan 0.000 0.482 380 L N -0.010 121.247 121.223 0.055 0.000 2.081 380 L HA -0.291 4.292 4.340 0.404 0.000 0.212 380 L C 2.549 179.356 176.870 -0.105 0.000 1.080 380 L CA 1.621 56.432 54.840 -0.050 0.000 0.754 380 L CB -0.772 41.299 42.059 0.020 0.000 0.893 380 L HN 0.185 nan 8.230 nan 0.000 0.433 381 K N 0.018 120.374 120.400 -0.074 0.000 2.026 381 K HA -0.132 4.430 4.320 0.404 0.000 0.208 381 K C 1.397 177.930 176.600 -0.112 0.000 1.048 381 K CA 1.161 57.404 56.287 -0.075 0.000 0.929 381 K CB -0.300 32.173 32.500 -0.045 0.000 0.713 381 K HN 0.232 nan 8.250 nan 0.000 0.439 382 N N 1.231 119.845 118.700 -0.143 0.000 2.668 382 N HA -0.072 4.910 4.740 0.404 0.000 0.201 382 N C 0.407 175.769 175.510 -0.247 0.000 1.408 382 N CA 0.770 53.715 53.050 -0.177 0.000 0.905 382 N CB 0.194 38.574 38.487 -0.178 0.000 1.093 382 N HN 0.136 nan 8.380 nan 0.000 0.453 383 K N -2.169 118.093 120.400 -0.229 0.000 2.554 383 K HA 0.247 4.810 4.320 0.404 0.000 0.211 383 K C 0.814 177.325 176.600 -0.148 0.000 1.226 383 K CA 0.372 56.520 56.287 -0.231 0.000 1.025 383 K CB 1.346 33.668 32.500 -0.298 0.000 1.021 383 K HN 0.107 nan 8.250 nan 0.000 0.600 384 G N 1.790 110.519 108.800 -0.118 0.000 2.184 384 G HA2 -0.190 4.013 3.960 0.404 0.000 0.206 384 G HA3 -0.190 4.013 3.960 0.404 0.000 0.206 384 G C -0.007 174.852 174.900 -0.069 0.000 0.995 384 G CA -0.323 44.727 45.100 -0.085 0.000 0.651 384 G HN 0.158 nan 8.290 nan 0.000 0.511 385 I N 1.403 121.928 120.570 -0.074 0.000 2.354 385 I HA 0.414 4.827 4.170 0.404 0.000 0.292 385 I C 0.087 176.176 176.117 -0.046 0.000 0.989 385 I CA -0.660 60.607 61.300 -0.055 0.000 1.188 385 I CB 1.694 39.662 38.000 -0.053 0.000 1.342 385 I HN -0.108 nan 8.210 nan 0.000 0.457 386 K N 7.154 127.534 120.400 -0.035 0.000 2.293 386 K HA 0.515 5.077 4.320 0.404 0.000 0.267 386 K C -0.882 175.706 176.600 -0.020 0.000 1.010 386 K CA -0.635 55.636 56.287 -0.026 0.000 0.875 386 K CB 1.578 34.064 32.500 -0.023 0.000 1.106 386 K HN 0.487 nan 8.250 nan 0.000 0.450 387 L N 3.619 124.833 121.223 -0.015 0.000 2.367 387 L HA 0.180 4.762 4.340 0.404 0.000 0.275 387 L C 0.159 177.026 176.870 -0.005 0.000 1.129 387 L CA 0.187 55.021 54.840 -0.010 0.000 0.839 387 L CB 0.373 42.430 42.059 -0.005 0.000 1.133 387 L HN 0.405 nan 8.230 nan 0.000 0.453 388 K N 4.731 125.128 120.400 -0.004 0.000 2.376 388 K HA 0.511 5.074 4.320 0.404 0.000 0.257 388 K C -1.040 175.561 176.600 0.003 0.000 0.939 388 K CA -0.627 55.660 56.287 -0.001 0.000 0.809 388 K CB 2.369 34.867 32.500 -0.004 0.000 1.121 388 K HN 0.405 nan 8.250 nan 0.000 0.425 389 I N 3.682 124.257 120.570 0.010 0.000 2.312 389 I HA 0.092 4.505 4.170 0.404 0.000 0.291 389 I C 1.233 177.357 176.117 0.012 0.000 1.031 389 I CA -0.050 61.259 61.300 0.014 0.000 1.293 389 I CB 0.923 38.939 38.000 0.026 0.000 1.403 389 I HN 0.483 nan 8.210 nan 0.000 0.484 390 K N 4.164 124.570 120.400 0.009 0.000 2.211 390 K HA 0.230 4.792 4.320 0.404 0.000 0.201 390 K C 0.767 177.374 176.600 0.011 0.000 1.052 390 K CA 0.195 56.486 56.287 0.007 0.000 0.973 390 K CB 0.407 32.908 32.500 0.002 0.000 0.766 390 K HN 0.808 nan 8.250 nan 0.000 0.466 391 G N 0.930 109.739 108.800 0.015 0.000 2.732 391 G HA2 0.322 4.525 3.960 0.404 0.000 0.296 391 G HA3 0.322 4.525 3.960 0.404 0.000 0.296 391 G C -1.970 172.947 174.900 0.029 0.000 1.448 391 G CA -0.615 44.497 45.100 0.020 0.000 0.911 391 G HN -0.060 nan 8.290 nan 0.000 0.528 392 K N -0.047 120.375 120.400 0.037 0.000 2.281 392 K HA 0.790 5.353 4.320 0.404 0.000 0.242 392 K C -0.876 175.752 176.600 0.047 0.000 0.971 392 K CA -0.690 55.628 56.287 0.051 0.000 0.834 392 K CB 1.899 34.438 32.500 0.064 0.000 1.181 392 K HN 0.370 nan 8.250 nan 0.000 0.435 393 S N 2.497 118.231 115.700 0.056 0.000 2.779 393 S HA 0.282 4.994 4.470 0.404 0.000 0.293 393 S C -1.647 172.994 174.600 0.068 0.000 1.150 393 S CA -0.705 57.527 58.200 0.054 0.000 1.057 393 S CB 0.853 64.080 63.200 0.046 0.000 1.021 393 S HN 0.533 nan 8.310 nan 0.000 0.485 394 L N 5.815 127.077 121.223 0.065 0.000 2.260 394 L HA 0.601 5.184 4.340 0.404 0.000 0.289 394 L C -1.034 175.876 176.870 0.065 0.000 1.057 394 L CA 0.086 54.969 54.840 0.072 0.000 0.811 394 L CB 0.101 42.201 42.059 0.068 0.000 1.184 394 L HN 0.594 nan 8.230 nan 0.000 0.429 395 I N 6.650 127.264 120.570 0.074 0.000 2.330 395 I HA 0.272 4.684 4.170 0.404 0.000 0.289 395 I C -0.464 175.695 176.117 0.069 0.000 1.001 395 I CA -0.558 60.781 61.300 0.065 0.000 1.193 395 I CB 1.084 39.127 38.000 0.070 0.000 1.345 395 I HN 0.493 nan 8.210 nan 0.000 0.461 396 L N 6.458 127.712 121.223 0.051 0.000 2.326 396 L HA 0.794 5.376 4.340 0.404 0.000 0.278 396 L C 0.239 177.126 176.870 0.029 0.000 1.092 396 L CA -0.251 54.615 54.840 0.043 0.000 0.810 396 L CB 1.075 43.151 42.059 0.028 0.000 1.153 396 L HN 0.717 nan 8.230 nan 0.000 0.439 397 A N 2.395 125.242 122.820 0.045 0.000 2.605 397 A HA 0.479 5.041 4.320 0.404 0.000 0.294 397 A C -0.471 177.141 177.584 0.046 0.000 1.062 397 A CA -0.532 51.502 52.037 -0.005 0.000 0.682 397 A CB 1.788 20.743 19.000 -0.076 0.000 1.278 397 A HN 0.747 nan 8.150 nan 0.000 0.410 398 Q N -0.301 119.471 119.800 -0.047 0.000 2.214 398 Q HA 0.228 4.811 4.340 0.404 0.000 0.229 398 Q C -0.220 175.791 176.000 0.018 0.000 0.835 398 Q CA 0.809 56.642 55.803 0.050 0.000 0.953 398 Q CB 1.151 29.884 28.738 -0.009 0.000 1.131 398 Q HN 0.858 nan 8.270 nan 0.000 0.501 399 T N -1.935 112.439 114.554 -0.300 0.000 2.838 399 T HA 0.358 4.951 4.350 0.404 0.000 0.292 399 T C 0.472 174.738 174.700 -0.722 0.000 1.113 399 T CA -0.877 61.021 62.100 -0.336 0.000 1.008 399 T CB 1.674 70.429 68.868 -0.189 0.000 1.259 399 T HN -0.082 nan 8.240 nan 0.000 0.520 400 R N 0.477 120.714 120.500 -0.438 0.000 2.091 400 R HA -0.127 4.455 4.340 0.404 0.000 0.238 400 R C 2.019 178.103 176.300 -0.360 0.000 1.136 400 R CA 1.870 57.757 56.100 -0.356 0.000 0.959 400 R CB -0.293 29.958 30.300 -0.082 0.000 0.856 400 R HN 0.710 nan 8.270 nan 0.000 0.437 401 E N 0.681 120.680 120.200 -0.336 0.000 2.031 401 E HA -0.202 4.391 4.350 0.404 0.000 0.193 401 E C 1.892 178.311 176.600 -0.301 0.000 0.994 401 E CA 1.096 57.284 56.400 -0.352 0.000 0.800 401 E CB -0.179 29.348 29.700 -0.287 0.000 0.752 401 E HN 0.328 nan 8.360 nan 0.000 0.447 402 E N 0.509 120.546 120.200 -0.273 0.000 2.070 402 E HA -0.296 4.297 4.350 0.404 0.000 0.197 402 E C 2.104 178.579 176.600 -0.208 0.000 1.004 402 E CA 1.085 57.356 56.400 -0.214 0.000 0.805 402 E CB -0.172 29.416 29.700 -0.187 0.000 0.744 402 E HN 0.271 nan 8.360 nan 0.000 0.451 403 A N 1.772 124.412 122.820 -0.300 0.000 1.859 403 A HA -0.331 4.232 4.320 0.404 0.000 0.218 403 A C 2.087 179.605 177.584 -0.111 0.000 1.209 403 A CA 2.336 54.254 52.037 -0.199 0.000 0.639 403 A CB -0.762 18.071 19.000 -0.279 0.000 0.835 403 A HN 0.256 nan 8.150 nan 0.000 0.450 404 K N -0.348 119.926 120.400 -0.210 0.000 1.988 404 K HA -0.283 4.280 4.320 0.404 0.000 0.221 404 K C 1.932 178.441 176.600 -0.152 0.000 1.053 404 K CA 2.212 58.312 56.287 -0.312 0.000 0.959 404 K CB -0.389 31.733 32.500 -0.630 0.000 0.728 404 K HN 0.602 nan 8.250 nan 0.000 0.447 405 E N 0.190 120.285 120.200 -0.175 0.000 2.169 405 E HA -0.245 4.347 4.350 0.404 0.000 0.202 405 E C 2.073 178.662 176.600 -0.018 0.000 1.016 405 E CA 1.895 58.242 56.400 -0.089 0.000 0.817 405 E CB -0.020 29.618 29.700 -0.102 0.000 0.736 405 E HN 0.335 nan 8.360 nan 0.000 0.462 406 K N 0.102 120.491 120.400 -0.019 0.000 2.186 406 K HA 0.000 4.563 4.320 0.404 0.000 0.202 406 K C 2.121 178.757 176.600 0.060 0.000 1.052 406 K CA 0.401 56.697 56.287 0.014 0.000 0.965 406 K CB 0.061 32.561 32.500 0.001 0.000 0.746 406 K HN 0.065 nan 8.250 nan 0.000 0.457 407 L N 0.897 122.184 121.223 0.105 0.000 2.046 407 L HA -0.209 4.374 4.340 0.404 0.000 0.208 407 L C 2.166 179.130 176.870 0.157 0.000 1.077 407 L CA 1.107 56.045 54.840 0.163 0.000 0.747 407 L CB -0.416 41.819 42.059 0.295 0.000 0.896 407 L HN 0.138 nan 8.230 nan 0.000 0.432 408 I N -0.053 120.636 120.570 0.199 0.000 2.091 408 I HA -0.294 4.119 4.170 0.404 0.000 0.240 408 I C -0.303 175.864 176.117 0.083 0.000 1.046 408 I CA 2.033 63.434 61.300 0.169 0.000 1.306 408 I CB -1.397 36.714 38.000 0.185 0.000 1.018 408 I HN 0.269 nan 8.210 nan 0.000 0.404 409 P HA -0.055 nan 4.420 nan 0.000 0.218 409 P C 1.930 179.249 177.300 0.032 0.000 1.152 409 P CA 1.240 64.363 63.100 0.038 0.000 0.826 409 P CB -0.032 31.686 31.700 0.029 0.000 0.790 410 V N 1.277 121.214 119.914 0.039 0.000 2.255 410 V HA -0.251 4.111 4.120 0.404 0.000 0.247 410 V C 2.774 178.879 176.094 0.019 0.000 1.051 410 V CA 1.825 64.144 62.300 0.031 0.000 1.018 410 V CB -1.286 30.561 31.823 0.039 0.000 0.641 410 V HN -0.016 nan 8.190 nan 0.000 0.445 411 I N 0.217 120.798 120.570 0.019 0.000 2.208 411 I HA -0.271 4.141 4.170 0.404 0.000 0.245 411 I C 2.450 178.561 176.117 -0.011 0.000 1.097 411 I CA 1.754 63.049 61.300 -0.008 0.000 1.363 411 I CB -0.779 37.201 38.000 -0.033 0.000 1.051 411 I HN 0.431 nan 8.210 nan 0.000 0.413 412 N N 1.336 120.037 118.700 0.002 0.000 2.094 412 N HA -0.222 4.761 4.740 0.404 0.000 0.191 412 N C 1.560 177.068 175.510 -0.002 0.000 1.023 412 N CA 1.480 54.531 53.050 0.000 0.000 0.857 412 N CB -0.080 38.414 38.487 0.012 0.000 1.013 412 N HN 0.472 nan 8.380 nan 0.000 0.426 413 K N 0.506 120.907 120.400 0.002 0.000 2.486 413 K HA 0.131 4.693 4.320 0.404 0.000 0.194 413 K C 0.469 177.067 176.600 -0.004 0.000 1.033 413 K CA 0.211 56.499 56.287 0.000 0.000 1.004 413 K CB 0.339 32.842 32.500 0.005 0.000 0.798 413 K HN 0.214 nan 8.250 nan 0.000 0.495 414 I N 2.604 123.169 120.570 -0.008 0.000 2.452 414 I HA 0.023 4.436 4.170 0.404 0.000 0.287 414 I C -0.212 175.894 176.117 -0.017 0.000 1.079 414 I CA 0.328 61.621 61.300 -0.013 0.000 1.387 414 I CB 0.425 38.414 38.000 -0.017 0.000 1.404 414 I HN -0.003 nan 8.210 nan 0.000 0.522 415 K N 5.385 125.776 120.400 -0.015 0.000 2.525 415 K HA 0.263 4.826 4.320 0.404 0.000 0.254 415 K C -1.498 175.093 176.600 -0.016 0.000 0.934 415 K CA -0.973 55.304 56.287 -0.016 0.000 0.802 415 K CB 2.055 34.547 32.500 -0.013 0.000 1.295 415 K HN 0.556 nan 8.250 nan 0.000 0.433 416 D N 0.979 121.368 120.400 -0.019 0.000 3.729 416 D HA -0.134 4.749 4.640 0.404 0.000 0.242 416 D C -1.010 175.280 176.300 -0.017 0.000 1.091 416 D CA 0.626 54.616 54.000 -0.018 0.000 1.096 416 D CB -0.715 40.077 40.800 -0.014 0.000 0.901 416 D HN 0.188 nan 8.370 nan 0.000 0.416 417 V N 1.339 121.242 119.914 -0.019 0.000 3.023 417 V HA 0.072 4.435 4.120 0.404 0.000 0.294 417 V C 0.132 176.213 176.094 -0.021 0.000 1.324 417 V CA -0.690 61.599 62.300 -0.019 0.000 0.979 417 V CB 2.362 34.174 31.823 -0.019 0.000 1.093 417 V HN 0.131 nan 8.190 nan 0.000 0.434 418 D N 1.925 122.312 120.400 -0.021 0.000 2.162 418 D HA 0.140 5.023 4.640 0.404 0.000 0.203 418 D C 0.173 176.457 176.300 -0.026 0.000 0.967 418 D CA 1.312 55.298 54.000 -0.023 0.000 0.840 418 D CB 0.556 41.341 40.800 -0.025 0.000 0.972 418 D HN 0.288 nan 8.370 nan 0.000 0.482 419 L N -0.505 120.700 121.223 -0.030 0.000 2.556 419 L HA 0.373 4.955 4.340 0.404 0.000 0.257 419 L C -1.853 174.991 176.870 -0.044 0.000 0.955 419 L CA -0.736 54.080 54.840 -0.039 0.000 0.850 419 L CB 2.321 44.352 42.059 -0.046 0.000 1.398 419 L HN -0.321 nan 8.230 nan 0.000 0.412 420 V N 4.782 124.662 119.914 -0.057 0.000 2.459 420 V HA 0.552 4.915 4.120 0.404 0.000 0.295 420 V C -0.065 175.966 176.094 -0.106 0.000 1.029 420 V CA -0.343 61.916 62.300 -0.069 0.000 0.874 420 V CB 1.524 33.306 31.823 -0.067 0.000 0.985 420 V HN 0.599 nan 8.190 nan 0.000 0.438 421 I N 4.540 125.034 120.570 -0.127 0.000 2.377 421 I HA 0.557 4.970 4.170 0.404 0.000 0.293 421 I C -0.727 175.209 176.117 -0.303 0.000 0.987 421 I CA -0.805 60.357 61.300 -0.231 0.000 1.185 421 I CB 2.009 39.858 38.000 -0.251 0.000 1.341 421 I HN 0.281 nan 8.210 nan 0.000 0.455 422 V N 6.370 126.053 119.914 -0.384 0.000 2.443 422 V HA 0.373 4.735 4.120 0.404 0.000 0.293 422 V C -0.625 175.241 176.094 -0.379 0.000 1.021 422 V CA -0.569 61.560 62.300 -0.285 0.000 0.848 422 V CB 1.229 32.948 31.823 -0.174 0.000 0.998 422 V HN 0.404 nan 8.190 nan 0.000 0.424 423 F N 5.010 124.960 119.950 -0.001 0.000 2.371 423 F HA 0.511 5.281 4.527 0.406 0.000 0.363 423 F C 0.257 176.063 175.800 0.010 0.000 1.122 423 F CA -0.433 57.560 58.000 -0.012 0.000 1.129 423 F CB 0.998 39.984 39.000 -0.022 0.000 1.173 423 F HN 0.221 nan 8.300 nan 0.000 0.489 424 L N 4.270 125.605 121.223 0.186 0.000 2.265 424 L HA 0.293 4.875 4.340 0.404 0.000 0.289 424 L C 0.518 177.447 176.870 0.097 0.000 1.033 424 L CA -0.553 54.382 54.840 0.158 0.000 0.814 424 L CB 0.974 43.131 42.059 0.164 0.000 1.203 424 L HN 0.605 nan 8.230 nan 0.000 0.423 425 E N 2.695 122.917 120.200 0.038 0.000 2.409 425 E HA 0.041 4.634 4.350 0.404 0.000 0.257 425 E C -0.274 176.163 176.600 -0.272 0.000 1.150 425 E CA -0.163 56.137 56.400 -0.166 0.000 0.942 425 E CB 0.866 30.373 29.700 -0.322 0.000 0.979 425 E HN 0.464 nan 8.360 nan 0.000 0.447 426 E N 1.726 121.738 120.200 -0.315 0.000 2.299 426 E HA 0.043 4.636 4.350 0.404 0.000 0.272 426 E C -1.079 175.277 176.600 -0.406 0.000 1.043 426 E CA 0.394 56.653 56.400 -0.234 0.000 0.895 426 E CB 0.358 29.976 29.700 -0.137 0.000 1.011 426 E HN 0.300 nan 8.360 nan 0.000 0.432 427 Y N 4.195 124.511 120.300 0.027 0.000 2.328 427 Y HA 0.163 4.955 4.550 0.404 0.000 0.333 427 Y C -1.251 174.656 175.900 0.012 0.000 0.958 427 Y CA -1.773 56.336 58.100 0.015 0.000 1.167 427 Y CB 1.271 39.741 38.460 0.017 0.000 1.151 427 Y HN 0.507 nan 8.280 nan 0.000 0.470 428 P HA -0.057 nan 4.420 nan 0.000 0.212 428 P C -0.138 177.192 177.300 0.049 0.000 1.180 428 P CA 1.372 64.511 63.100 0.065 0.000 0.906 428 P CB 0.857 32.587 31.700 0.050 0.000 0.782 429 K N -1.733 118.693 120.400 0.043 0.000 2.126 429 K HA 0.543 5.106 4.320 0.404 0.000 0.245 429 K C -0.476 176.130 176.600 0.009 0.000 1.068 429 K CA -0.939 55.355 56.287 0.013 0.000 0.877 429 K CB 2.059 34.549 32.500 -0.016 0.000 1.406 429 K HN -0.203 nan 8.250 nan 0.000 0.490 430 V N -2.097 117.803 119.914 -0.023 0.000 3.065 430 V HA 0.339 4.701 4.120 0.404 0.000 0.312 430 V C -1.179 174.861 176.094 -0.090 0.000 1.412 430 V CA -1.138 61.136 62.300 -0.044 0.000 1.039 430 V CB 1.051 32.859 31.823 -0.024 0.000 1.077 430 V HN 0.565 nan 8.190 nan 0.000 0.473 431 D N 2.835 123.173 120.400 -0.103 0.000 2.425 431 D HA 0.266 5.148 4.640 0.404 0.000 0.247 431 D C -1.532 174.631 176.300 -0.228 0.000 1.147 431 D CA -1.366 52.514 54.000 -0.200 0.000 0.879 431 D CB 1.843 42.574 40.800 -0.114 0.000 1.179 431 D HN 0.387 nan 8.370 nan 0.000 0.456 432 P HA -0.125 nan 4.420 nan 0.000 0.223 432 P C 0.878 178.074 177.300 -0.174 0.000 1.151 432 P CA 1.166 64.098 63.100 -0.281 0.000 0.787 432 P CB 0.079 31.582 31.700 -0.329 0.000 0.788 433 Y N 0.674 120.960 120.300 -0.023 0.000 2.231 433 Y HA 0.146 4.938 4.550 0.404 0.000 0.294 433 Y C 1.861 177.807 175.900 0.075 0.000 1.120 433 Y CA 0.176 58.283 58.100 0.011 0.000 1.141 433 Y CB -1.283 37.166 38.460 -0.018 0.000 1.022 433 Y HN -0.257 nan 8.280 nan 0.000 0.523 434 K N 2.358 122.885 120.400 0.212 0.000 3.386 434 K HA -0.031 4.531 4.320 0.404 0.000 0.290 434 K C 0.563 177.235 176.600 0.121 0.000 0.745 434 K CA 0.118 56.495 56.287 0.149 0.000 1.009 434 K CB -0.530 32.020 32.500 0.083 0.000 1.031 434 K HN 0.189 nan 8.250 nan 0.000 0.406 435 S N 0.793 116.579 115.700 0.143 0.000 2.890 435 S HA -0.177 4.535 4.470 0.404 0.000 0.349 435 S C -0.327 174.468 174.600 0.326 0.000 1.211 435 S CA 0.397 58.697 58.200 0.167 0.000 0.988 435 S CB 0.042 63.329 63.200 0.144 0.000 0.666 435 S HN 0.342 nan 8.310 nan 0.000 0.472 436 F N 3.038 122.999 119.950 0.019 0.000 2.786 436 F HA 0.224 4.994 4.527 0.406 0.000 0.299 436 F C -1.058 174.766 175.800 0.039 0.000 0.931 436 F CA -0.456 57.556 58.000 0.020 0.000 1.160 436 F CB 0.136 39.119 39.000 -0.028 0.000 1.437 436 F HN 0.606 nan 8.300 nan 0.000 0.733 437 L N 6.327 127.509 121.223 -0.069 0.000 2.260 437 L HA 0.269 4.851 4.340 0.404 0.000 0.289 437 L C 1.142 178.047 176.870 0.058 0.000 1.057 437 L CA -0.551 54.307 54.840 0.031 0.000 0.811 437 L CB 1.288 43.364 42.059 0.030 0.000 1.184 437 L HN 0.765 nan 8.230 nan 0.000 0.429 438 L N 4.736 126.076 121.223 0.195 0.000 2.017 438 L HA -0.232 4.351 4.340 0.404 0.000 0.208 438 L C 2.066 179.111 176.870 0.290 0.000 1.073 438 L CA 1.900 56.901 54.840 0.269 0.000 0.745 438 L CB -0.661 41.559 42.059 0.270 0.000 0.894 438 L HN 0.628 nan 8.230 nan 0.000 0.432 439 Y N 0.416 120.789 120.300 0.121 0.000 2.102 439 Y HA -0.383 4.409 4.550 0.403 0.000 0.280 439 Y C 2.117 178.054 175.900 0.063 0.000 1.178 439 Y CA 2.223 60.375 58.100 0.086 0.000 1.146 439 Y CB -0.359 38.135 38.460 0.057 0.000 0.968 439 Y HN 0.358 nan 8.280 nan 0.000 0.504 440 D N -0.072 120.547 120.400 0.365 0.000 2.088 440 D HA -0.251 4.632 4.640 0.404 0.000 0.191 440 D C 1.861 178.187 176.300 0.043 0.000 0.992 440 D CA 1.996 56.108 54.000 0.187 0.000 0.831 440 D CB -0.712 40.135 40.800 0.078 0.000 0.973 440 D HN 0.397 nan 8.370 nan 0.000 0.447 441 F N 1.236 121.108 119.950 -0.129 0.000 2.063 441 F HA -0.341 4.430 4.527 0.406 0.000 0.297 441 F C 2.084 177.856 175.800 -0.047 0.000 1.099 441 F CA 1.478 59.403 58.000 -0.124 0.000 1.220 441 F CB -0.685 38.280 39.000 -0.059 0.000 0.972 441 F HN -0.116 nan 8.300 nan 0.000 0.487 442 V N 0.117 119.972 119.914 -0.098 0.000 2.255 442 V HA -0.330 4.032 4.120 0.404 0.000 0.247 442 V C 2.476 178.413 176.094 -0.261 0.000 1.051 442 V CA 2.336 64.502 62.300 -0.222 0.000 1.018 442 V CB -0.852 30.901 31.823 -0.117 0.000 0.641 442 V HN 0.217 nan 8.190 nan 0.000 0.445 443 K N 0.369 120.635 120.400 -0.222 0.000 2.020 443 K HA -0.199 4.363 4.320 0.404 0.000 0.212 443 K C 2.266 178.797 176.600 -0.116 0.000 1.050 443 K CA 1.715 57.907 56.287 -0.159 0.000 0.929 443 K CB -0.579 31.870 32.500 -0.084 0.000 0.714 443 K HN 0.279 nan 8.250 nan 0.000 0.443 444 R N 0.309 120.727 120.500 -0.137 0.000 2.112 444 R HA -0.160 4.422 4.340 0.404 0.000 0.242 444 R C 1.948 178.132 176.300 -0.193 0.000 1.137 444 R CA 1.950 57.961 56.100 -0.148 0.000 0.944 444 R CB -0.235 29.962 30.300 -0.171 0.000 0.857 444 R HN 0.141 nan 8.270 nan 0.000 0.435 445 E N 0.048 120.042 120.200 -0.343 0.000 2.333 445 E HA -0.141 4.452 4.350 0.404 0.000 0.198 445 E C 1.769 178.263 176.600 -0.176 0.000 1.007 445 E CA 0.950 57.160 56.400 -0.316 0.000 0.845 445 E CB 0.057 29.465 29.700 -0.487 0.000 0.766 445 E HN 0.402 nan 8.360 nan 0.000 0.507 446 L N -0.959 120.180 121.223 -0.140 0.000 2.388 446 L HA 0.094 4.676 4.340 0.404 0.000 0.209 446 L C 2.226 179.092 176.870 -0.006 0.000 1.061 446 L CA 0.053 54.847 54.840 -0.077 0.000 0.834 446 L CB -0.061 41.946 42.059 -0.086 0.000 1.029 446 L HN 0.058 nan 8.230 nan 0.000 0.473 447 L N 0.182 121.414 121.223 0.016 0.000 2.013 447 L HA -0.276 4.307 4.340 0.404 0.000 0.212 447 L C 2.493 179.407 176.870 0.073 0.000 1.073 447 L CA 1.576 56.481 54.840 0.108 0.000 0.753 447 L CB -0.455 41.647 42.059 0.072 0.000 0.890 447 L HN 0.251 nan 8.230 nan 0.000 0.432 448 K N -0.154 120.241 120.400 -0.008 0.000 2.218 448 K HA -0.214 4.348 4.320 0.404 0.000 0.205 448 K C 1.724 178.302 176.600 -0.037 0.000 1.046 448 K CA 1.171 57.439 56.287 -0.031 0.000 0.933 448 K CB -0.095 32.375 32.500 -0.050 0.000 0.728 448 K HN 0.306 nan 8.250 nan 0.000 0.454 449 K N -0.028 120.351 120.400 -0.035 0.000 2.374 449 K HA 0.154 4.716 4.320 0.404 0.000 0.196 449 K C 0.038 176.595 176.600 -0.072 0.000 1.023 449 K CA 0.003 56.261 56.287 -0.047 0.000 1.103 449 K CB 0.471 32.944 32.500 -0.044 0.000 0.848 449 K HN 0.078 nan 8.250 nan 0.000 0.528 450 M N -0.019 119.527 119.600 -0.089 0.000 2.762 450 M HA -0.237 4.486 4.480 0.404 0.000 0.190 450 M C -0.351 175.883 176.300 -0.110 0.000 0.586 450 M CA 1.073 56.209 55.300 -0.273 0.000 0.620 450 M CB -2.512 29.841 32.600 -0.411 0.000 2.269 450 M HN 0.067 nan 8.290 nan 0.000 0.563 451 I N 1.790 122.372 120.570 0.019 0.000 2.315 451 I HA 0.271 4.683 4.170 0.404 0.000 0.291 451 I C -1.719 174.449 176.117 0.084 0.000 1.006 451 I CA -1.775 59.541 61.300 0.027 0.000 1.265 451 I CB 1.519 39.512 38.000 -0.012 0.000 1.387 451 I HN -0.123 nan 8.210 nan 0.000 0.475 452 P HA 0.097 nan 4.420 nan 0.000 0.271 452 P C -0.994 176.290 177.300 -0.028 0.000 1.220 452 P CA -0.148 62.972 63.100 0.033 0.000 0.768 452 P CB 0.719 32.417 31.700 -0.004 0.000 0.848 453 S N 1.927 117.593 115.700 -0.058 0.000 2.599 453 S HA 0.691 5.404 4.470 0.404 0.000 0.287 453 S C -1.086 173.446 174.600 -0.112 0.000 1.105 453 S CA -0.797 57.350 58.200 -0.089 0.000 0.899 453 S CB 1.890 65.030 63.200 -0.101 0.000 1.100 453 S HN 0.273 nan 8.310 nan 0.000 0.482 454 Q N 1.062 120.783 119.800 -0.133 0.000 2.309 454 Q HA 0.619 5.202 4.340 0.404 0.000 0.270 454 Q C -1.926 173.950 176.000 -0.207 0.000 1.023 454 Q CA -0.518 55.202 55.803 -0.139 0.000 0.758 454 Q CB 1.805 30.481 28.738 -0.102 0.000 1.247 454 Q HN 0.696 nan 8.270 nan 0.000 0.455 455 V N 6.222 126.004 119.914 -0.219 0.000 2.328 455 V HA 0.486 4.849 4.120 0.404 0.000 0.278 455 V C -0.323 175.707 176.094 -0.106 0.000 1.021 455 V CA -0.460 61.674 62.300 -0.277 0.000 0.838 455 V CB 1.149 32.606 31.823 -0.610 0.000 0.999 455 V HN 0.763 nan 8.190 nan 0.000 0.447 456 I N 5.716 126.206 120.570 -0.134 0.000 2.362 456 I HA 0.364 4.776 4.170 0.404 0.000 0.289 456 I C -0.117 176.051 176.117 0.085 0.000 0.994 456 I CA -0.334 60.943 61.300 -0.039 0.000 1.158 456 I CB 1.538 39.455 38.000 -0.140 0.000 1.315 456 I HN 0.357 nan 8.210 nan 0.000 0.451 457 L N 5.667 126.952 121.223 0.103 0.000 2.367 457 L HA 0.129 4.712 4.340 0.404 0.000 0.275 457 L C 1.263 178.153 176.870 0.034 0.000 1.129 457 L CA -0.004 54.895 54.840 0.099 0.000 0.839 457 L CB 0.548 42.661 42.059 0.090 0.000 1.133 457 L HN 0.658 nan 8.230 nan 0.000 0.453 458 N N 2.359 121.072 118.700 0.021 0.000 2.457 458 N HA -0.137 4.846 4.740 0.404 0.000 0.180 458 N C 1.844 177.308 175.510 -0.076 0.000 1.050 458 N CA 0.670 53.690 53.050 -0.050 0.000 0.906 458 N CB 0.142 38.586 38.487 -0.072 0.000 0.968 458 N HN 0.560 nan 8.380 nan 0.000 0.445 459 R N -0.538 119.936 120.500 -0.044 0.000 2.096 459 R HA -0.064 4.518 4.340 0.404 0.000 0.235 459 R C 1.327 177.601 176.300 -0.042 0.000 1.127 459 R CA 1.867 57.942 56.100 -0.041 0.000 0.968 459 R CB -0.669 29.619 30.300 -0.020 0.000 0.861 459 R HN 0.104 nan 8.270 nan 0.000 0.440 460 T N 1.411 115.941 114.554 -0.040 0.000 2.777 460 T HA -0.033 4.559 4.350 0.404 0.000 0.266 460 T C 1.672 176.332 174.700 -0.067 0.000 1.040 460 T CA 1.481 63.558 62.100 -0.039 0.000 1.141 460 T CB -0.075 68.767 68.868 -0.043 0.000 0.868 460 T HN 0.203 nan 8.240 nan 0.000 0.444 461 L N 0.251 121.400 121.223 -0.122 0.000 2.291 461 L HA 0.042 4.624 4.340 0.404 0.000 0.214 461 L C 2.391 179.190 176.870 -0.117 0.000 1.120 461 L CA 1.062 55.809 54.840 -0.154 0.000 0.799 461 L CB -0.401 41.511 42.059 -0.245 0.000 0.925 461 L HN 0.140 nan 8.230 nan 0.000 0.446 462 K N -0.295 120.046 120.400 -0.099 0.000 2.400 462 K HA 0.026 4.588 4.320 0.404 0.000 0.194 462 K C 1.007 177.588 176.600 -0.031 0.000 1.033 462 K CA 0.358 56.604 56.287 -0.068 0.000 1.021 462 K CB 0.213 32.676 32.500 -0.062 0.000 0.808 462 K HN 0.299 nan 8.250 nan 0.000 0.505 463 N N -0.318 118.365 118.700 -0.029 0.000 2.474 463 N HA 0.023 5.006 4.740 0.404 0.000 0.224 463 N C 0.078 175.576 175.510 -0.021 0.000 1.092 463 N CA 0.428 53.466 53.050 -0.020 0.000 0.844 463 N CB 0.633 39.108 38.487 -0.020 0.000 1.381 463 N HN -0.037 nan 8.380 nan 0.000 0.458 464 E N 1.039 121.235 120.200 -0.006 0.000 2.239 464 E HA 0.331 4.923 4.350 0.404 0.000 0.261 464 E C -0.307 176.325 176.600 0.055 0.000 1.016 464 E CA -0.473 55.933 56.400 0.010 0.000 0.882 464 E CB 0.872 30.631 29.700 0.097 0.000 1.190 464 E HN 0.106 nan 8.360 nan 0.000 0.415 465 N N 1.342 120.096 118.700 0.090 0.000 2.518 465 N HA 0.041 5.023 4.740 0.404 0.000 0.283 465 N C 1.093 176.702 175.510 0.165 0.000 1.119 465 N CA -0.234 52.882 53.050 0.110 0.000 0.983 465 N CB 1.623 40.167 38.487 0.095 0.000 1.139 465 N HN 0.255 nan 8.380 nan 0.000 0.465 466 L N 3.325 124.629 121.223 0.135 0.000 2.043 466 L HA -0.199 4.383 4.340 0.404 0.000 0.212 466 L C 2.005 178.966 176.870 0.152 0.000 1.075 466 L CA 1.887 56.828 54.840 0.169 0.000 0.752 466 L CB -0.193 41.954 42.059 0.146 0.000 0.891 466 L HN 0.484 nan 8.230 nan 0.000 0.432 467 K N -1.255 119.208 120.400 0.105 0.000 2.062 467 K HA -0.173 4.390 4.320 0.404 0.000 0.205 467 K C 2.131 178.754 176.600 0.037 0.000 1.051 467 K CA 1.626 57.939 56.287 0.043 0.000 0.941 467 K CB -0.541 31.989 32.500 0.051 0.000 0.719 467 K HN 0.339 nan 8.250 nan 0.000 0.440 468 F N 2.389 122.325 119.950 -0.022 0.000 2.025 468 F HA -0.306 4.464 4.527 0.405 0.000 0.297 468 F C 2.059 177.742 175.800 -0.195 0.000 1.132 468 F CA 1.532 59.489 58.000 -0.071 0.000 1.191 468 F CB -0.664 38.320 39.000 -0.027 0.000 0.963 468 F HN -0.286 nan 8.300 nan 0.000 0.481 469 V N 0.998 120.844 119.914 -0.113 0.000 2.231 469 V HA -0.350 4.013 4.120 0.404 0.000 0.248 469 V C 2.503 178.514 176.094 -0.138 0.000 1.054 469 V CA 2.085 64.253 62.300 -0.220 0.000 1.015 469 V CB -1.124 30.679 31.823 -0.033 0.000 0.638 469 V HN 0.549 nan 8.190 nan 0.000 0.444 470 L N -0.905 120.374 121.223 0.094 0.000 2.085 470 L HA -0.297 4.286 4.340 0.404 0.000 0.218 470 L C 2.236 178.938 176.870 -0.279 0.000 1.080 470 L CA 2.112 56.922 54.840 -0.049 0.000 0.776 470 L CB -0.266 41.645 42.059 -0.247 0.000 0.891 470 L HN 0.273 nan 8.230 nan 0.000 0.437 471 L N -1.398 119.596 121.223 -0.382 0.000 2.049 471 L HA -0.138 4.444 4.340 0.404 0.000 0.203 471 L C 2.236 178.924 176.870 -0.303 0.000 1.074 471 L CA 1.028 55.664 54.840 -0.341 0.000 0.749 471 L CB -0.785 41.163 42.059 -0.186 0.000 0.907 471 L HN 0.292 nan 8.230 nan 0.000 0.439 472 N N 0.134 118.410 118.700 -0.706 0.000 2.096 472 N HA -0.194 4.789 4.740 0.404 0.000 0.195 472 N C 1.744 177.128 175.510 -0.209 0.000 1.017 472 N CA 1.485 54.177 53.050 -0.597 0.000 0.870 472 N CB -0.933 37.009 38.487 -0.907 0.000 1.024 472 N HN 0.133 nan 8.380 nan 0.000 0.434 473 V N 0.867 120.689 119.914 -0.153 0.000 2.323 473 V HA -0.072 4.291 4.120 0.404 0.000 0.244 473 V C 2.401 178.492 176.094 -0.005 0.000 1.041 473 V CA 1.609 63.900 62.300 -0.015 0.000 1.025 473 V CB -1.057 30.866 31.823 0.166 0.000 0.656 473 V HN 0.364 nan 8.190 nan 0.000 0.451 474 A N -0.426 122.376 122.820 -0.030 0.000 1.940 474 A HA -0.280 4.283 4.320 0.404 0.000 0.219 474 A C 2.303 179.935 177.584 0.080 0.000 1.176 474 A CA 2.062 54.118 52.037 0.032 0.000 0.631 474 A CB -0.504 18.480 19.000 -0.025 0.000 0.814 474 A HN 0.605 nan 8.150 nan 0.000 0.446 475 E N -0.545 119.705 120.200 0.085 0.000 2.106 475 E HA -0.219 4.373 4.350 0.404 0.000 0.192 475 E C 2.149 178.775 176.600 0.044 0.000 0.984 475 E CA 1.229 57.708 56.400 0.131 0.000 0.806 475 E CB -0.105 29.750 29.700 0.258 0.000 0.750 475 E HN 0.787 nan 8.360 nan 0.000 0.458 476 Q N -0.033 119.778 119.800 0.020 0.000 1.994 476 Q HA -0.112 4.470 4.340 0.404 0.000 0.198 476 Q C 2.391 178.338 176.000 -0.089 0.000 0.976 476 Q CA 1.510 57.293 55.803 -0.033 0.000 0.828 476 Q CB 0.036 28.759 28.738 -0.026 0.000 0.894 476 Q HN 0.154 nan 8.270 nan 0.000 0.432 477 V N 1.547 121.425 119.914 -0.060 0.000 2.313 477 V HA -0.338 4.025 4.120 0.404 0.000 0.253 477 V C 2.261 178.302 176.094 -0.089 0.000 1.070 477 V CA 1.837 64.097 62.300 -0.066 0.000 1.057 477 V CB -0.648 31.159 31.823 -0.027 0.000 0.653 477 V HN 0.370 nan 8.190 nan 0.000 0.450 478 L N -0.706 120.468 121.223 -0.083 0.000 2.046 478 L HA -0.183 4.399 4.340 0.404 0.000 0.208 478 L C 2.599 179.337 176.870 -0.219 0.000 1.077 478 L CA 1.636 56.407 54.840 -0.116 0.000 0.747 478 L CB -0.626 41.383 42.059 -0.083 0.000 0.896 478 L HN 0.402 nan 8.230 nan 0.000 0.432 479 A N -0.320 122.315 122.820 -0.307 0.000 1.835 479 A HA -0.205 4.358 4.320 0.404 0.000 0.213 479 A C 2.200 179.584 177.584 -0.332 0.000 1.210 479 A CA 1.494 53.251 52.037 -0.468 0.000 0.605 479 A CB -0.521 18.129 19.000 -0.584 0.000 0.860 479 A HN 0.196 nan 8.150 nan 0.000 0.447 480 K N -0.753 119.477 120.400 -0.283 0.000 2.128 480 K HA -0.254 4.309 4.320 0.404 0.000 0.220 480 K C 1.434 177.922 176.600 -0.186 0.000 1.049 480 K CA 2.502 58.636 56.287 -0.254 0.000 0.948 480 K CB -0.449 31.943 32.500 -0.181 0.000 0.742 480 K HN 0.706 nan 8.250 nan 0.000 0.465 481 T N -3.768 110.697 114.554 -0.148 0.000 3.251 481 T HA 0.383 4.976 4.350 0.404 0.000 0.259 481 T C 0.943 175.586 174.700 -0.095 0.000 0.998 481 T CA 0.191 62.233 62.100 -0.097 0.000 0.905 481 T CB 0.746 69.568 68.868 -0.076 0.000 1.067 481 T HN 0.456 nan 8.240 nan 0.000 0.569 482 G N 2.183 110.906 108.800 -0.128 0.000 2.225 482 G HA2 -0.263 3.940 3.960 0.404 0.000 0.254 482 G HA3 -0.263 3.940 3.960 0.404 0.000 0.254 482 G C 0.227 175.063 174.900 -0.108 0.000 0.988 482 G CA -0.183 44.853 45.100 -0.106 0.000 0.625 482 G HN 0.595 nan 8.290 nan 0.000 0.527 483 N N 1.131 119.762 118.700 -0.115 0.000 3.229 483 N HA 0.315 5.297 4.740 0.404 0.000 0.275 483 N C 0.407 175.835 175.510 -0.136 0.000 1.225 483 N CA -0.142 52.860 53.050 -0.079 0.000 1.119 483 N CB 0.465 38.918 38.487 -0.057 0.000 1.392 483 N HN 0.451 nan 8.380 nan 0.000 0.520 484 I N 2.645 123.095 120.570 -0.200 0.000 2.828 484 I HA -0.091 4.321 4.170 0.404 0.000 0.292 484 I C -0.864 175.113 176.117 -0.235 0.000 1.206 484 I CA -0.786 60.273 61.300 -0.401 0.000 1.420 484 I CB 0.819 38.572 38.000 -0.410 0.000 1.368 484 I HN 0.150 nan 8.210 nan 0.000 0.556 485 P HA -0.062 nan 4.420 nan 0.000 0.233 485 P C -0.966 176.484 177.300 0.250 0.000 1.167 485 P CA 1.038 64.098 63.100 -0.067 0.000 0.770 485 P CB 0.052 31.698 31.700 -0.090 0.000 0.837 486 Y N -3.962 116.524 120.300 0.310 0.000 2.786 486 Y HA 0.564 5.357 4.550 0.405 0.000 0.365 486 Y C -1.119 174.929 175.900 0.246 0.000 1.171 486 Y CA -1.666 56.687 58.100 0.422 0.000 1.214 486 Y CB 0.193 38.988 38.460 0.558 0.000 1.411 486 Y HN -0.389 nan 8.280 nan 0.000 0.485 487 K N 1.679 122.308 120.400 0.381 0.000 2.350 487 K HA 0.701 5.264 4.320 0.404 0.000 0.241 487 K C -1.221 175.519 176.600 0.233 0.000 0.994 487 K CA -1.073 55.323 56.287 0.183 0.000 0.839 487 K CB 2.454 34.919 32.500 -0.059 0.000 1.244 487 K HN 0.657 nan 8.250 nan 0.000 0.443 488 L N 2.425 123.734 121.223 0.143 0.000 2.456 488 L HA 0.084 4.666 4.340 0.404 0.000 0.272 488 L C 1.696 178.618 176.870 0.087 0.000 1.189 488 L CA 0.201 55.097 54.840 0.093 0.000 0.846 488 L CB 0.459 42.548 42.059 0.051 0.000 1.111 488 L HN 0.713 nan 8.230 nan 0.000 0.475 489 K N 1.854 122.292 120.400 0.063 0.000 1.973 489 K HA -0.123 4.439 4.320 0.404 0.000 0.212 489 K C -0.076 176.560 176.600 0.060 0.000 1.047 489 K CA 1.552 57.875 56.287 0.061 0.000 0.937 489 K CB 0.331 32.850 32.500 0.031 0.000 0.721 489 K HN 0.766 nan 8.250 nan 0.000 0.440 490 E N -1.236 118.992 120.200 0.047 0.000 2.435 490 E HA 0.467 5.060 4.350 0.404 0.000 0.272 490 E C -1.035 175.598 176.600 0.055 0.000 1.031 490 E CA -0.793 55.642 56.400 0.059 0.000 0.872 490 E CB 1.268 31.001 29.700 0.054 0.000 1.588 490 E HN 0.099 nan 8.360 nan 0.000 0.460 491 I N 0.358 120.974 120.570 0.078 0.000 2.686 491 I HA 0.307 4.719 4.170 0.404 0.000 0.295 491 I C -0.308 175.865 176.117 0.093 0.000 1.114 491 I CA -1.300 60.048 61.300 0.080 0.000 1.038 491 I CB 1.849 39.908 38.000 0.100 0.000 1.238 491 I HN 0.395 nan 8.210 nan 0.000 0.420 492 E N 3.279 123.524 120.200 0.075 0.000 2.508 492 E HA 0.265 4.858 4.350 0.404 0.000 0.266 492 E C 0.544 177.195 176.600 0.085 0.000 1.010 492 E CA 0.742 57.179 56.400 0.062 0.000 0.955 492 E CB 0.378 30.104 29.700 0.044 0.000 0.946 492 E HN 0.924 nan 8.360 nan 0.000 0.454 493 G N 2.180 111.013 108.800 0.055 0.000 2.756 493 G HA2 -0.242 3.961 3.960 0.404 0.000 0.678 493 G HA3 -0.242 3.961 3.960 0.404 0.000 0.678 493 G C -0.551 174.371 174.900 0.036 0.000 1.349 493 G CA -0.488 44.638 45.100 0.043 0.000 0.847 493 G HN 0.447 nan 8.290 nan 0.000 0.548 494 K N 0.200 120.602 120.400 0.005 0.000 3.147 494 K HA 0.428 4.991 4.320 0.404 0.000 0.214 494 K C 0.329 176.898 176.600 -0.052 0.000 1.221 494 K CA -0.408 55.876 56.287 -0.004 0.000 1.117 494 K CB 1.175 33.676 32.500 0.002 0.000 1.278 494 K HN 0.407 nan 8.250 nan 0.000 0.479 495 V N 1.424 121.284 119.914 -0.092 0.000 2.583 495 V HA -0.002 4.360 4.120 0.404 0.000 0.287 495 V C 0.775 176.726 176.094 -0.238 0.000 1.051 495 V CA 0.088 62.218 62.300 -0.282 0.000 1.010 495 V CB 1.185 32.651 31.823 -0.596 0.000 0.988 495 V HN 0.400 nan 8.190 nan 0.000 0.478 496 D N 2.171 122.404 120.400 -0.277 0.000 2.323 496 D HA 0.330 5.213 4.640 0.404 0.000 0.218 496 D C 0.537 176.742 176.300 -0.158 0.000 0.973 496 D CA 1.055 54.991 54.000 -0.107 0.000 0.890 496 D CB 0.634 41.427 40.800 -0.011 0.000 1.011 496 D HN 0.673 nan 8.370 nan 0.000 0.499 497 A N -0.088 122.397 122.820 -0.559 0.000 2.520 497 A HA 0.600 5.163 4.320 0.404 0.000 0.298 497 A C -1.645 175.545 177.584 -0.656 0.000 1.051 497 A CA -0.624 51.084 52.037 -0.549 0.000 0.690 497 A CB 0.954 19.339 19.000 -1.024 0.000 1.281 497 A HN -0.045 nan 8.150 nan 0.000 0.402 498 F N 1.362 121.216 119.950 -0.161 0.000 2.444 498 F HA 0.564 5.330 4.527 0.399 0.000 0.342 498 F C 0.038 175.752 175.800 -0.142 0.000 1.121 498 F CA -0.562 57.299 58.000 -0.231 0.000 0.997 498 F CB 2.295 41.169 39.000 -0.210 0.000 1.130 498 F HN 0.271 nan 8.300 nan 0.000 0.454 499 V N 2.823 122.673 119.914 -0.106 0.000 2.407 499 V HA 0.610 4.973 4.120 0.404 0.000 0.291 499 V C 0.159 176.217 176.094 -0.059 0.000 1.018 499 V CA -0.840 61.414 62.300 -0.077 0.000 0.842 499 V CB 1.581 33.281 31.823 -0.205 0.000 0.996 499 V HN 0.881 nan 8.190 nan 0.000 0.426 500 G N 6.062 114.875 108.800 0.022 0.000 2.347 500 G HA2 0.654 4.857 3.960 0.404 0.000 0.314 500 G HA3 0.654 4.857 3.960 0.404 0.000 0.314 500 G C -0.356 174.536 174.900 -0.012 0.000 1.126 500 G CA -0.420 44.690 45.100 0.017 0.000 0.929 500 G HN 0.784 nan 8.290 nan 0.000 0.441 501 I N -0.125 120.467 120.570 0.036 0.000 2.525 501 I HA 0.806 5.219 4.170 0.404 0.000 0.301 501 I C -1.547 174.623 176.117 0.088 0.000 0.992 501 I CA -0.893 60.451 61.300 0.074 0.000 1.162 501 I CB 2.538 40.631 38.000 0.154 0.000 1.332 501 I HN 0.328 nan 8.210 nan 0.000 0.458 502 D N 5.135 125.606 120.400 0.118 0.000 2.927 502 D HA 0.687 5.570 4.640 0.404 0.000 0.219 502 D C -1.476 174.932 176.300 0.180 0.000 1.248 502 D CA -0.294 53.792 54.000 0.143 0.000 0.861 502 D CB 2.474 43.359 40.800 0.142 0.000 1.677 502 D HN 0.619 nan 8.370 nan 0.000 0.511 503 I N 1.953 122.620 120.570 0.162 0.000 2.548 503 I HA 0.347 4.759 4.170 0.404 0.000 0.287 503 I C -0.734 175.468 176.117 0.141 0.000 1.103 503 I CA -0.471 60.931 61.300 0.170 0.000 1.049 503 I CB 2.147 40.248 38.000 0.168 0.000 1.232 503 I HN 0.162 nan 8.210 nan 0.000 0.429 504 S N 5.488 121.268 115.700 0.133 0.000 2.501 504 S HA 0.685 5.398 4.470 0.404 0.000 0.301 504 S C -0.646 174.018 174.600 0.107 0.000 1.096 504 S CA -0.843 57.420 58.200 0.105 0.000 1.063 504 S CB 1.558 64.806 63.200 0.080 0.000 1.042 504 S HN 0.508 nan 8.310 nan 0.000 0.494 505 R N 1.929 122.483 120.500 0.089 0.000 2.473 505 R HA 0.460 5.043 4.340 0.404 0.000 0.303 505 R C -1.049 175.289 176.300 0.063 0.000 1.002 505 R CA -0.541 55.608 56.100 0.082 0.000 0.884 505 R CB 0.983 31.329 30.300 0.077 0.000 1.173 505 R HN 0.488 nan 8.270 nan 0.000 0.464 506 I N 2.197 122.802 120.570 0.058 0.000 2.752 506 I HA -0.025 4.387 4.170 0.404 0.000 0.287 506 I C 0.419 176.560 176.117 0.040 0.000 1.188 506 I CA 1.065 62.393 61.300 0.046 0.000 1.427 506 I CB 0.943 38.968 38.000 0.042 0.000 1.365 506 I HN 0.585 nan 8.210 nan 0.000 0.585 507 T N 6.643 121.218 114.554 0.035 0.000 2.952 507 T HA 0.679 5.271 4.350 0.404 0.000 0.286 507 T C -0.489 174.225 174.700 0.023 0.000 1.024 507 T CA -0.789 61.328 62.100 0.027 0.000 1.029 507 T CB 1.303 70.186 68.868 0.026 0.000 1.094 507 T HN 0.501 nan 8.240 nan 0.000 0.515 508 R N 1.329 121.838 120.500 0.016 0.000 2.725 508 R HA 0.201 4.784 4.340 0.404 0.000 0.276 508 R C -1.407 174.896 176.300 0.006 0.000 1.189 508 R CA -0.668 55.439 56.100 0.012 0.000 1.083 508 R CB 1.101 31.407 30.300 0.010 0.000 1.262 508 R HN 0.791 nan 8.270 nan 0.000 0.415 509 D N 1.750 122.152 120.400 0.003 0.000 2.701 509 D HA -0.214 4.668 4.640 0.404 0.000 0.235 509 D C 0.846 177.145 176.300 -0.002 0.000 1.155 509 D CA 1.781 55.779 54.000 -0.002 0.000 0.649 509 D CB -1.022 39.775 40.800 -0.004 0.000 1.050 509 D HN 1.112 nan 8.370 nan 0.000 0.425 510 G N -0.488 108.312 108.800 0.000 0.000 2.175 510 G HA2 -0.390 3.812 3.960 0.404 0.000 0.265 510 G HA3 -0.390 3.812 3.960 0.404 0.000 0.265 510 G C 0.227 175.128 174.900 0.002 0.000 0.979 510 G CA 0.955 46.055 45.100 -0.001 0.000 0.663 510 G HN 0.521 nan 8.290 nan 0.000 0.533 511 K N 0.966 121.369 120.400 0.005 0.000 2.213 511 K HA 0.483 5.046 4.320 0.404 0.000 0.270 511 K C -0.000 176.608 176.600 0.014 0.000 1.002 511 K CA -0.358 55.934 56.287 0.008 0.000 0.868 511 K CB 1.258 33.762 32.500 0.006 0.000 1.093 511 K HN 0.057 nan 8.250 nan 0.000 0.454 512 T N 2.702 117.268 114.554 0.020 0.000 2.752 512 T HA 0.062 4.654 4.350 0.404 0.000 0.295 512 T C 1.107 175.824 174.700 0.029 0.000 0.923 512 T CA -0.362 61.756 62.100 0.030 0.000 1.112 512 T CB 0.598 69.490 68.868 0.040 0.000 0.884 512 T HN 0.261 nan 8.240 nan 0.000 0.525 513 V N 3.101 123.032 119.914 0.027 0.000 2.906 513 V HA 0.170 4.533 4.120 0.404 0.000 0.221 513 V C 1.350 177.460 176.094 0.027 0.000 1.147 513 V CA -0.095 62.214 62.300 0.016 0.000 1.235 513 V CB -0.310 31.519 31.823 0.010 0.000 1.000 513 V HN 0.667 nan 8.190 nan 0.000 0.510 514 N N 0.680 119.403 118.700 0.038 0.000 2.467 514 N HA 0.496 5.478 4.740 0.404 0.000 0.262 514 N C -0.627 174.938 175.510 0.093 0.000 1.234 514 N CA 0.773 53.857 53.050 0.057 0.000 0.952 514 N CB 1.243 39.757 38.487 0.045 0.000 1.158 514 N HN 0.615 nan 8.380 nan 0.000 0.463 515 A N 0.934 123.837 122.820 0.137 0.000 2.577 515 A HA 0.504 5.066 4.320 0.404 0.000 0.297 515 A C -1.591 176.113 177.584 0.200 0.000 1.060 515 A CA -0.628 51.513 52.037 0.172 0.000 0.697 515 A CB 0.895 20.019 19.000 0.206 0.000 1.281 515 A HN 0.305 nan 8.150 nan 0.000 0.402 516 V N 1.397 121.411 119.914 0.165 0.000 2.444 516 V HA 0.706 5.069 4.120 0.404 0.000 0.294 516 V C 0.454 176.663 176.094 0.192 0.000 1.022 516 V CA -0.150 62.234 62.300 0.139 0.000 0.850 516 V CB 1.370 33.235 31.823 0.071 0.000 0.992 516 V HN 1.478 nan 8.190 nan 0.000 0.426 517 A N 5.364 128.320 122.820 0.227 0.000 2.292 517 A HA 0.808 5.370 4.320 0.404 0.000 0.319 517 A C -1.016 176.762 177.584 0.324 0.000 1.206 517 A CA -0.368 51.839 52.037 0.283 0.000 0.835 517 A CB 0.580 19.817 19.000 0.394 0.000 1.164 517 A HN 0.819 nan 8.150 nan 0.000 0.505 518 F N 2.302 122.315 119.950 0.105 0.000 2.467 518 F HA 0.576 5.317 4.527 0.356 0.000 0.336 518 F C -0.244 175.617 175.800 0.102 0.000 1.123 518 F CA -0.293 57.760 58.000 0.089 0.000 0.964 518 F CB 1.922 40.928 39.000 0.009 0.000 1.136 518 F HN 0.528 nan 8.300 nan 0.000 0.447 519 T N 5.447 119.938 114.554 -0.105 0.000 2.886 519 T HA 0.430 5.022 4.350 0.404 0.000 0.292 519 T C -1.293 173.266 174.700 -0.236 0.000 1.012 519 T CA -0.978 61.051 62.100 -0.117 0.000 0.982 519 T CB 1.878 70.801 68.868 0.092 0.000 1.018 519 T HN 0.449 nan 8.240 nan 0.000 0.451 520 K N 2.711 122.995 120.400 -0.193 0.000 2.541 520 K HA 0.583 5.145 4.320 0.404 0.000 0.250 520 K C -1.213 175.416 176.600 0.048 0.000 0.950 520 K CA -0.643 55.559 56.287 -0.141 0.000 0.805 520 K CB 2.359 34.716 32.500 -0.239 0.000 1.166 520 K HN 0.448 nan 8.250 nan 0.000 0.430 521 I N 2.952 123.526 120.570 0.007 0.000 2.404 521 I HA 0.438 4.851 4.170 0.404 0.000 0.293 521 I C -0.922 175.163 176.117 -0.053 0.000 0.992 521 I CA -0.712 60.629 61.300 0.068 0.000 1.149 521 I CB 0.856 38.932 38.000 0.127 0.000 1.315 521 I HN 0.428 nan 8.210 nan 0.000 0.446 522 F N 4.583 124.607 119.950 0.123 0.000 2.556 522 F HA 0.353 5.118 4.527 0.397 0.000 0.314 522 F C 0.380 176.303 175.800 0.205 0.000 1.106 522 F CA -0.888 57.214 58.000 0.169 0.000 0.911 522 F CB 1.436 40.545 39.000 0.182 0.000 1.190 522 F HN 0.518 nan 8.300 nan 0.000 0.448 523 N N 0.207 119.138 118.700 0.386 0.000 2.294 523 N HA 0.025 5.007 4.740 0.404 0.000 0.275 523 N C 1.142 176.852 175.510 0.334 0.000 1.291 523 N CA 0.366 53.615 53.050 0.332 0.000 0.933 523 N CB -0.303 38.321 38.487 0.229 0.000 1.096 523 N HN 0.561 nan 8.380 nan 0.000 0.525 524 S N -0.653 115.193 115.700 0.245 0.000 2.345 524 S HA -0.131 4.581 4.470 0.404 0.000 0.220 524 S C 1.424 176.191 174.600 0.278 0.000 1.031 524 S CA 0.980 59.318 58.200 0.229 0.000 0.996 524 S CB -0.598 62.685 63.200 0.139 0.000 0.882 524 S HN 0.602 nan 8.310 nan 0.000 0.445 525 K N 1.088 121.606 120.400 0.197 0.000 2.515 525 K HA 0.171 4.734 4.320 0.404 0.000 0.196 525 K C 1.000 177.690 176.600 0.150 0.000 1.038 525 K CA 0.434 56.812 56.287 0.151 0.000 0.967 525 K CB -0.461 32.107 32.500 0.114 0.000 0.780 525 K HN 0.690 nan 8.250 nan 0.000 0.483 526 G N 2.107 111.045 108.800 0.230 0.000 2.165 526 G HA2 -0.230 3.973 3.960 0.404 0.000 0.226 526 G HA3 -0.230 3.973 3.960 0.404 0.000 0.226 526 G C -0.801 174.338 174.900 0.399 0.000 1.035 526 G CA -0.241 44.995 45.100 0.227 0.000 0.744 526 G HN 0.416 nan 8.290 nan 0.000 0.501 527 E N -0.380 120.056 120.200 0.393 0.000 2.204 527 E HA 0.631 5.224 4.350 0.404 0.000 0.276 527 E C 0.346 177.053 176.600 0.179 0.000 0.974 527 E CA -1.269 55.325 56.400 0.325 0.000 0.815 527 E CB 2.162 31.931 29.700 0.116 0.000 1.119 527 E HN 0.318 nan 8.360 nan 0.000 0.393 528 L N 2.999 124.137 121.223 -0.141 0.000 2.525 528 L HA -0.081 4.502 4.340 0.404 0.000 0.278 528 L C 0.181 176.913 176.870 -0.230 0.000 1.218 528 L CA 0.552 55.014 54.840 -0.630 0.000 0.878 528 L CB 0.810 42.621 42.059 -0.413 0.000 1.127 528 L HN 0.613 nan 8.230 nan 0.000 0.492 529 V N 4.473 124.269 119.914 -0.196 0.000 2.627 529 V HA 0.326 4.688 4.120 0.404 0.000 0.239 529 V C 1.080 177.126 176.094 -0.080 0.000 1.077 529 V CA 0.553 62.818 62.300 -0.059 0.000 1.103 529 V CB -0.212 31.639 31.823 0.046 0.000 0.802 529 V HN 0.847 nan 8.190 nan 0.000 0.482 530 R N -1.501 118.934 120.500 -0.108 0.000 2.733 530 R HA 0.483 5.065 4.340 0.404 0.000 0.272 530 R C -1.774 174.354 176.300 -0.287 0.000 1.029 530 R CA -0.597 55.349 56.100 -0.257 0.000 0.888 530 R CB 2.223 32.321 30.300 -0.337 0.000 1.251 530 R HN 0.332 nan 8.270 nan 0.000 0.464 531 Y N -1.269 118.766 120.300 -0.440 0.000 2.659 531 Y HA 0.728 5.511 4.550 0.388 0.000 0.333 531 Y C -1.300 174.174 175.900 -0.710 0.000 1.064 531 Y CA -1.275 56.614 58.100 -0.352 0.000 1.141 531 Y CB 1.214 39.698 38.460 0.040 0.000 1.316 531 Y HN 0.476 nan 8.280 nan 0.000 0.509 532 Y N 1.623 122.136 120.300 0.354 0.000 2.307 532 Y HA 0.448 5.233 4.550 0.391 0.000 0.323 532 Y C -1.474 174.694 175.900 0.447 0.000 1.100 532 Y CA -0.808 57.450 58.100 0.264 0.000 1.140 532 Y CB 1.881 40.403 38.460 0.103 0.000 1.159 532 Y HN 0.616 nan 8.280 nan 0.000 0.436 533 L N 4.050 125.588 121.223 0.525 0.000 2.295 533 L HA 0.681 5.263 4.340 0.404 0.000 0.281 533 L C -0.618 176.360 176.870 0.180 0.000 1.018 533 L CA -0.080 54.991 54.840 0.386 0.000 0.841 533 L CB 0.943 43.152 42.059 0.251 0.000 1.218 533 L HN 0.576 nan 8.230 nan 0.000 0.424 534 T N 2.797 117.413 114.554 0.103 0.000 2.840 534 T HA 0.496 5.088 4.350 0.404 0.000 0.287 534 T C -0.290 174.282 174.700 -0.215 0.000 0.991 534 T CA -0.585 61.452 62.100 -0.104 0.000 0.964 534 T CB 1.373 70.108 68.868 -0.222 0.000 0.954 534 T HN 0.642 nan 8.240 nan 0.000 0.438 535 S N 2.912 118.486 115.700 -0.209 0.000 2.616 535 S HA 0.726 5.439 4.470 0.404 0.000 0.277 535 S C -1.082 173.341 174.600 -0.295 0.000 1.234 535 S CA -0.650 57.456 58.200 -0.156 0.000 1.028 535 S CB 0.641 63.815 63.200 -0.044 0.000 0.988 535 S HN 0.618 nan 8.310 nan 0.000 0.522 536 Y N 1.349 121.713 120.300 0.106 0.000 2.446 536 Y HA 0.555 5.168 4.550 0.105 0.000 0.345 536 Y C -2.021 173.913 175.900 0.056 0.000 0.984 536 Y CA -2.073 56.113 58.100 0.143 0.000 1.058 536 Y CB 2.173 40.768 38.460 0.226 0.000 1.220 536 Y HN 0.588 nan 8.280 nan 0.000 0.455 537 P HA 0.253 nan 4.420 nan 0.000 0.312 537 P C -1.027 176.163 177.300 -0.184 0.000 1.308 537 P CA -0.602 62.457 63.100 -0.069 0.000 0.743 537 P CB 0.549 32.150 31.700 -0.164 0.000 1.364 538 A N -0.194 122.481 122.820 -0.242 0.000 2.444 538 A HA 0.455 5.017 4.320 0.404 0.000 0.273 538 A C -0.585 176.750 177.584 -0.415 0.000 1.136 538 A CA 0.176 52.089 52.037 -0.206 0.000 0.799 538 A CB -1.365 17.564 19.000 -0.118 0.000 1.081 538 A HN 0.340 nan 8.150 nan 0.000 0.509 539 F N 1.065 121.023 119.950 0.014 0.000 2.563 539 F HA 0.663 5.423 4.527 0.388 0.000 0.316 539 F C 0.717 176.509 175.800 -0.013 0.000 1.076 539 F CA -0.431 57.565 58.000 -0.007 0.000 0.921 539 F CB 2.862 41.841 39.000 -0.035 0.000 1.209 539 F HN 0.662 nan 8.300 nan 0.000 0.462 540 G N 1.505 110.413 108.800 0.181 0.000 2.744 540 G HA2 0.514 4.717 3.960 0.404 0.000 0.286 540 G HA3 0.514 4.717 3.960 0.404 0.000 0.286 540 G C -0.526 174.416 174.900 0.070 0.000 1.497 540 G CA -0.161 44.995 45.100 0.092 0.000 1.070 540 G HN 0.760 nan 8.290 nan 0.000 0.539 541 E N 1.625 121.853 120.200 0.047 0.000 4.046 541 E HA -0.251 4.341 4.350 0.404 0.000 0.164 541 E C 1.401 178.008 176.600 0.011 0.000 1.057 541 E CA 1.898 58.314 56.400 0.026 0.000 2.636 541 E CB -1.315 28.400 29.700 0.026 0.000 1.615 541 E HN 0.442 nan 8.360 nan 0.000 0.566 542 K N 0.580 120.993 120.400 0.022 0.000 2.365 542 K HA 0.028 4.591 4.320 0.404 0.000 0.199 542 K C 2.080 178.586 176.600 -0.156 0.000 1.045 542 K CA 0.836 57.091 56.287 -0.054 0.000 0.962 542 K CB -0.139 32.334 32.500 -0.045 0.000 0.759 542 K HN 0.278 nan 8.250 nan 0.000 0.469 543 L N 1.061 122.255 121.223 -0.048 0.000 1.971 543 L HA -0.259 4.324 4.340 0.404 0.000 0.215 543 L C 2.054 178.793 176.870 -0.220 0.000 1.072 543 L CA 2.006 56.778 54.840 -0.113 0.000 0.758 543 L CB -0.925 41.156 42.059 0.037 0.000 0.889 543 L HN 0.066 nan 8.230 nan 0.000 0.433 544 T N -0.768 113.716 114.554 -0.118 0.000 2.699 544 T HA -0.286 4.307 4.350 0.404 0.000 0.268 544 T C 1.773 176.375 174.700 -0.164 0.000 1.036 544 T CA 1.898 63.935 62.100 -0.106 0.000 1.147 544 T CB -0.241 68.612 68.868 -0.026 0.000 0.862 544 T HN 0.480 nan 8.240 nan 0.000 0.446 545 E N 0.352 120.465 120.200 -0.144 0.000 2.031 545 E HA -0.156 4.436 4.350 0.404 0.000 0.193 545 E C 2.343 178.793 176.600 -0.249 0.000 0.994 545 E CA 0.957 57.290 56.400 -0.113 0.000 0.800 545 E CB 0.099 29.783 29.700 -0.027 0.000 0.752 545 E HN 0.185 nan 8.360 nan 0.000 0.447 546 K N 0.222 120.413 120.400 -0.348 0.000 2.044 546 K HA -0.198 4.364 4.320 0.404 0.000 0.210 546 K C 2.102 178.463 176.600 -0.398 0.000 1.049 546 K CA 1.344 57.373 56.287 -0.431 0.000 0.927 546 K CB -0.668 31.402 32.500 -0.716 0.000 0.713 546 K HN 0.195 nan 8.250 nan 0.000 0.443 547 A N 1.245 123.784 122.820 -0.470 0.000 1.902 547 A HA -0.127 4.436 4.320 0.404 0.000 0.217 547 A C 2.346 179.818 177.584 -0.186 0.000 1.181 547 A CA 1.376 53.199 52.037 -0.357 0.000 0.623 547 A CB -0.545 18.248 19.000 -0.346 0.000 0.818 547 A HN 0.225 nan 8.150 nan 0.000 0.443 548 I N -0.571 119.817 120.570 -0.303 0.000 2.193 548 I HA -0.102 4.311 4.170 0.404 0.000 0.240 548 I C 2.788 178.649 176.117 -0.426 0.000 1.084 548 I CA 0.898 61.981 61.300 -0.361 0.000 1.365 548 I CB -1.016 36.605 38.000 -0.632 0.000 1.064 548 I HN 0.363 nan 8.210 nan 0.000 0.410 549 G N 1.265 109.543 108.800 -0.871 0.000 2.759 549 G HA2 -0.398 3.804 3.960 0.404 0.000 0.224 549 G HA3 -0.398 3.804 3.960 0.404 0.000 0.224 549 G C 1.219 175.922 174.900 -0.329 0.000 1.173 549 G CA 1.892 46.448 45.100 -0.906 0.000 0.770 549 G HN 0.316 nan 8.290 nan 0.000 0.626 550 D N -0.091 120.198 120.400 -0.185 0.000 2.116 550 D HA -0.104 4.778 4.640 0.404 0.000 0.193 550 D C 2.734 178.956 176.300 -0.130 0.000 0.998 550 D CA 1.102 55.053 54.000 -0.082 0.000 0.836 550 D CB -0.769 40.047 40.800 0.027 0.000 0.951 550 D HN 0.211 nan 8.370 nan 0.000 0.449 551 V N 0.488 120.331 119.914 -0.119 0.000 2.380 551 V HA -0.264 4.099 4.120 0.404 0.000 0.251 551 V C 2.083 177.987 176.094 -0.318 0.000 1.063 551 V CA 1.410 63.594 62.300 -0.192 0.000 1.055 551 V CB -0.500 31.253 31.823 -0.116 0.000 0.657 551 V HN 0.086 nan 8.190 nan 0.000 0.455 552 F N 0.883 120.585 119.950 -0.415 0.000 2.118 552 F HA -0.109 4.648 4.527 0.384 0.000 0.293 552 F C 2.827 178.262 175.800 -0.609 0.000 1.102 552 F CA 1.461 59.072 58.000 -0.648 0.000 1.247 552 F CB -1.208 37.117 39.000 -1.124 0.000 1.017 552 F HN 0.222 nan 8.300 nan 0.000 0.475 553 S N 0.311 115.896 115.700 -0.191 0.000 2.462 553 S HA -0.183 4.530 4.470 0.404 0.000 0.243 553 S C 1.929 176.553 174.600 0.040 0.000 1.003 553 S CA 1.125 59.404 58.200 0.131 0.000 0.970 553 S CB -0.807 62.491 63.200 0.164 0.000 0.762 553 S HN 0.392 nan 8.310 nan 0.000 0.510 554 L N 0.077 121.238 121.223 -0.104 0.000 2.084 554 L HA 0.159 4.742 4.340 0.404 0.000 0.202 554 L C 2.618 179.454 176.870 -0.058 0.000 1.074 554 L CA 0.858 55.596 54.840 -0.170 0.000 0.757 554 L CB -0.595 41.197 42.059 -0.446 0.000 0.918 554 L HN 0.327 nan 8.230 nan 0.000 0.444 555 L N 0.092 121.265 121.223 -0.083 0.000 2.089 555 L HA -0.299 4.283 4.340 0.404 0.000 0.213 555 L C 2.563 179.593 176.870 0.267 0.000 1.079 555 L CA 1.572 56.447 54.840 0.057 0.000 0.758 555 L CB -0.409 41.516 42.059 -0.223 0.000 0.891 555 L HN 0.399 nan 8.230 nan 0.000 0.433 556 E N 0.269 120.626 120.200 0.262 0.000 2.152 556 E HA -0.190 4.402 4.350 0.404 0.000 0.192 556 E C 1.954 178.670 176.600 0.192 0.000 0.983 556 E CA 0.770 57.360 56.400 0.317 0.000 0.818 556 E CB 0.204 30.146 29.700 0.403 0.000 0.758 556 E HN 0.452 nan 8.360 nan 0.000 0.467 557 K N 0.154 120.638 120.400 0.141 0.000 2.366 557 K HA 0.008 4.571 4.320 0.404 0.000 0.198 557 K C 1.681 178.325 176.600 0.074 0.000 1.044 557 K CA 0.402 56.746 56.287 0.095 0.000 0.973 557 K CB 0.172 32.718 32.500 0.076 0.000 0.767 557 K HN 0.242 nan 8.250 nan 0.000 0.475 558 L N 0.474 121.750 121.223 0.089 0.000 2.627 558 L HA 0.141 4.723 4.340 0.404 0.000 0.232 558 L C 0.796 177.605 176.870 -0.102 0.000 1.150 558 L CA -0.016 54.837 54.840 0.020 0.000 0.917 558 L CB -0.357 41.750 42.059 0.080 0.000 1.104 558 L HN 0.299 nan 8.230 nan 0.000 0.445 559 G N 0.355 109.149 108.800 -0.010 0.000 2.249 559 G HA2 -0.330 3.872 3.960 0.404 0.000 0.273 559 G HA3 -0.330 3.872 3.960 0.404 0.000 0.273 559 G C 0.072 174.924 174.900 -0.079 0.000 1.036 559 G CA -0.247 44.836 45.100 -0.029 0.000 0.824 559 G HN 0.299 nan 8.290 nan 0.000 0.504 560 F N 1.500 121.509 119.950 0.097 0.000 2.516 560 F HA 0.194 4.964 4.527 0.404 0.000 0.351 560 F C 1.558 177.493 175.800 0.225 0.000 1.208 560 F CA 0.080 58.141 58.000 0.102 0.000 1.073 560 F CB 0.447 39.435 39.000 -0.020 0.000 1.203 560 F HN -0.010 nan 8.300 nan 0.000 0.602 561 K N 5.486 126.048 120.400 0.270 0.000 2.430 561 K HA -0.024 4.539 4.320 0.404 0.000 0.280 561 K C 0.403 177.179 176.600 0.293 0.000 1.063 561 K CA 0.036 56.453 56.287 0.216 0.000 1.071 561 K CB 0.354 32.928 32.500 0.125 0.000 0.899 561 K HN 0.546 nan 8.250 nan 0.000 0.473 562 K N 0.489 121.028 120.400 0.232 0.000 2.580 562 K HA -0.157 4.405 4.320 0.404 0.000 0.278 562 K C 1.245 177.940 176.600 0.159 0.000 0.960 562 K CA 0.975 57.343 56.287 0.136 0.000 0.988 562 K CB 0.023 32.509 32.500 -0.023 0.000 0.887 562 K HN 0.907 nan 8.250 nan 0.000 0.509 563 G N 0.564 109.463 108.800 0.165 0.000 2.205 563 G HA2 -0.335 3.868 3.960 0.404 0.000 0.261 563 G HA3 -0.335 3.868 3.960 0.404 0.000 0.261 563 G C 0.143 175.159 174.900 0.193 0.000 0.980 563 G CA 0.468 45.660 45.100 0.154 0.000 0.632 563 G HN 0.728 nan 8.290 nan 0.000 0.533 564 S N -0.378 115.497 115.700 0.291 0.000 2.600 564 S HA 0.567 5.280 4.470 0.404 0.000 0.265 564 S C 0.100 174.753 174.600 0.089 0.000 1.325 564 S CA 0.078 58.394 58.200 0.194 0.000 1.002 564 S CB 2.121 65.460 63.200 0.232 0.000 0.921 564 S HN 0.533 nan 8.310 nan 0.000 0.554 565 K N 0.952 121.311 120.400 -0.068 0.000 2.206 565 K HA 0.490 5.053 4.320 0.404 0.000 0.264 565 K C -1.336 175.046 176.600 -0.363 0.000 0.967 565 K CA -0.651 55.541 56.287 -0.157 0.000 0.844 565 K CB 0.517 32.937 32.500 -0.133 0.000 1.099 565 K HN 0.603 nan 8.250 nan 0.000 0.441 566 I N 4.753 125.088 120.570 -0.391 0.000 2.468 566 I HA 0.218 4.630 4.170 0.404 0.000 0.285 566 I C -0.349 175.490 176.117 -0.464 0.000 1.039 566 I CA -0.933 60.040 61.300 -0.545 0.000 1.074 566 I CB 1.526 39.121 38.000 -0.674 0.000 1.228 566 I HN 0.259 nan 8.210 nan 0.000 0.436 567 V N 6.747 126.340 119.914 -0.534 0.000 2.439 567 V HA 0.393 4.756 4.120 0.404 0.000 0.282 567 V C 0.208 176.053 176.094 -0.416 0.000 1.039 567 V CA -0.577 61.469 62.300 -0.423 0.000 0.913 567 V CB 2.262 33.876 31.823 -0.348 0.000 0.983 567 V HN 0.460 nan 8.190 nan 0.000 0.460 568 V N 5.247 124.938 119.914 -0.372 0.000 2.305 568 V HA 0.358 4.720 4.120 0.404 0.000 0.275 568 V C -0.328 175.644 176.094 -0.203 0.000 1.020 568 V CA -0.767 61.339 62.300 -0.322 0.000 0.811 568 V CB 0.667 32.256 31.823 -0.389 0.000 1.031 568 V HN 0.826 nan 8.190 nan 0.000 0.439 569 H N 4.032 123.058 119.070 -0.074 0.000 2.629 569 H HA 0.571 5.368 4.556 0.402 0.000 0.357 569 H C 0.168 175.468 175.328 -0.047 0.000 1.121 569 H CA -0.219 55.791 56.048 -0.064 0.000 1.406 569 H CB 1.094 30.824 29.762 -0.053 0.000 1.456 569 H HN 0.491 nan 8.280 nan 0.000 0.579 570 R N 1.815 122.372 120.500 0.094 0.000 2.533 570 R HA 0.062 4.645 4.340 0.404 0.000 0.288 570 R C 0.107 176.433 176.300 0.042 0.000 1.039 570 R CA -0.527 55.612 56.100 0.065 0.000 0.909 570 R CB 1.323 31.661 30.300 0.064 0.000 1.195 570 R HN 0.587 nan 8.270 nan 0.000 0.438 571 D N 2.732 123.159 120.400 0.044 0.000 2.221 571 D HA -0.084 4.799 4.640 0.404 0.000 0.204 571 D C 0.902 177.219 176.300 0.029 0.000 0.982 571 D CA 1.627 55.644 54.000 0.030 0.000 0.857 571 D CB 0.263 41.083 40.800 0.034 0.000 0.934 571 D HN 0.698 nan 8.370 nan 0.000 0.475 572 G N -0.612 108.214 108.800 0.043 0.000 3.022 572 G HA2 0.177 4.379 3.960 0.404 0.000 0.157 572 G HA3 0.177 4.379 3.960 0.404 0.000 0.157 572 G C -0.180 174.714 174.900 -0.011 0.000 1.691 572 G CA -0.377 44.748 45.100 0.041 0.000 1.079 572 G HN 0.219 nan 8.290 nan 0.000 0.549 573 R N -0.555 119.906 120.500 -0.066 0.000 2.605 573 R HA 0.281 4.864 4.340 0.404 0.000 0.291 573 R C -1.236 174.824 176.300 -0.399 0.000 1.226 573 R CA -0.508 55.455 56.100 -0.229 0.000 0.981 573 R CB 0.696 30.825 30.300 -0.285 0.000 1.215 573 R HN 0.332 nan 8.270 nan 0.000 0.428 574 L N 5.203 126.292 121.223 -0.224 0.000 2.410 574 L HA 0.250 4.832 4.340 0.404 0.000 0.273 574 L C -0.418 176.320 176.870 -0.220 0.000 1.144 574 L CA -0.013 54.770 54.840 -0.095 0.000 0.863 574 L CB 0.045 42.123 42.059 0.031 0.000 1.140 574 L HN 0.443 nan 8.230 nan 0.000 0.463 575 Y N 1.391 121.753 120.300 0.102 0.000 2.432 575 Y HA 0.304 5.090 4.550 0.394 0.000 0.322 575 Y C 1.355 177.309 175.900 0.091 0.000 1.246 575 Y CA -0.773 57.379 58.100 0.086 0.000 1.268 575 Y CB 0.670 39.174 38.460 0.073 0.000 1.276 575 Y HN 0.419 nan 8.280 nan 0.000 0.499 576 R N 1.021 121.665 120.500 0.239 0.000 2.159 576 R HA -0.270 4.312 4.340 0.404 0.000 0.252 576 R C 1.673 178.053 176.300 0.134 0.000 1.144 576 R CA 2.522 58.712 56.100 0.150 0.000 0.961 576 R CB -0.404 29.968 30.300 0.121 0.000 0.877 576 R HN 0.981 nan 8.270 nan 0.000 0.444 577 D N -0.402 120.078 120.400 0.134 0.000 2.144 577 D HA -0.201 4.681 4.640 0.404 0.000 0.199 577 D C 1.379 177.745 176.300 0.110 0.000 0.984 577 D CA 1.482 55.539 54.000 0.095 0.000 0.834 577 D CB -0.472 40.370 40.800 0.070 0.000 0.955 577 D HN 0.454 nan 8.370 nan 0.000 0.465 578 E N 0.366 120.665 120.200 0.166 0.000 2.051 578 E HA -0.122 4.471 4.350 0.404 0.000 0.192 578 E C 2.428 179.222 176.600 0.324 0.000 0.991 578 E CA 1.251 57.780 56.400 0.215 0.000 0.799 578 E CB -0.003 29.875 29.700 0.298 0.000 0.748 578 E HN 0.124 nan 8.360 nan 0.000 0.449 579 V N 1.301 121.385 119.914 0.285 0.000 2.231 579 V HA -0.340 4.023 4.120 0.404 0.000 0.248 579 V C 2.314 178.532 176.094 0.208 0.000 1.054 579 V CA 2.073 64.542 62.300 0.281 0.000 1.015 579 V CB -0.923 30.993 31.823 0.154 0.000 0.638 579 V HN 0.383 nan 8.190 nan 0.000 0.444 580 A N -0.086 122.795 122.820 0.102 0.000 1.933 580 A HA -0.094 4.468 4.320 0.404 0.000 0.218 580 A C 2.419 180.024 177.584 0.035 0.000 1.175 580 A CA 2.054 54.109 52.037 0.030 0.000 0.628 580 A CB -0.856 18.147 19.000 0.005 0.000 0.814 580 A HN 0.630 nan 8.150 nan 0.000 0.444 581 A N -1.485 121.368 122.820 0.055 0.000 1.978 581 A HA -0.085 4.478 4.320 0.404 0.000 0.220 581 A C 1.966 179.565 177.584 0.025 0.000 1.170 581 A CA 1.532 53.576 52.037 0.012 0.000 0.636 581 A CB -0.699 18.287 19.000 -0.024 0.000 0.810 581 A HN 0.525 nan 8.150 nan 0.000 0.448 582 F N 0.163 120.192 119.950 0.132 0.000 2.234 582 F HA -0.058 4.706 4.527 0.395 0.000 0.296 582 F C 2.375 178.270 175.800 0.158 0.000 1.089 582 F CA 1.423 59.543 58.000 0.201 0.000 1.343 582 F CB 0.104 39.296 39.000 0.319 0.000 1.040 582 F HN 0.134 nan 8.300 nan 0.000 0.498 583 K N 0.408 120.947 120.400 0.231 0.000 2.025 583 K HA -0.210 4.352 4.320 0.404 0.000 0.207 583 K C 1.980 178.584 176.600 0.007 0.000 1.049 583 K CA 1.245 57.585 56.287 0.087 0.000 0.933 583 K CB -0.459 31.985 32.500 -0.094 0.000 0.714 583 K HN 0.189 nan 8.250 nan 0.000 0.438 584 K N 0.919 121.256 120.400 -0.106 0.000 2.034 584 K HA -0.227 4.335 4.320 0.404 0.000 0.214 584 K C 1.999 178.374 176.600 -0.375 0.000 1.051 584 K CA 1.922 58.034 56.287 -0.293 0.000 0.931 584 K CB -0.241 31.981 32.500 -0.464 0.000 0.715 584 K HN 0.174 nan 8.250 nan 0.000 0.446 585 Y N -0.282 119.849 120.300 -0.281 0.000 2.420 585 Y HA 0.053 4.861 4.550 0.430 0.000 0.292 585 Y C 2.388 178.129 175.900 -0.265 0.000 1.119 585 Y CA 0.646 58.438 58.100 -0.514 0.000 1.229 585 Y CB -0.280 37.340 38.460 -1.399 0.000 1.026 585 Y HN 0.278 nan 8.280 nan 0.000 0.554 586 G N 0.249 109.134 108.800 0.141 0.000 2.476 586 G HA2 -0.273 3.930 3.960 0.404 0.000 0.218 586 G HA3 -0.273 3.930 3.960 0.404 0.000 0.218 586 G C 1.389 176.448 174.900 0.265 0.000 1.164 586 G CA 1.310 46.663 45.100 0.422 0.000 0.768 586 G HN 0.376 nan 8.290 nan 0.000 0.560 587 E N 0.037 120.308 120.200 0.119 0.000 2.001 587 E HA -0.028 4.565 4.350 0.404 0.000 0.193 587 E C 2.650 179.256 176.600 0.011 0.000 0.994 587 E CA 0.757 57.184 56.400 0.045 0.000 0.815 587 E CB -0.335 29.356 29.700 -0.016 0.000 0.770 587 E HN 0.325 nan 8.360 nan 0.000 0.453 588 L N -0.089 121.115 121.223 -0.032 0.000 2.085 588 L HA -0.274 4.308 4.340 0.404 0.000 0.218 588 L C 2.211 178.994 176.870 -0.145 0.000 1.080 588 L CA 1.481 56.263 54.840 -0.096 0.000 0.776 588 L CB -0.558 41.427 42.059 -0.123 0.000 0.891 588 L HN 0.277 nan 8.230 nan 0.000 0.437 589 Y N -0.667 119.597 120.300 -0.059 0.000 2.478 589 Y HA 0.254 5.054 4.550 0.417 0.000 0.261 589 Y C 1.612 177.230 175.900 -0.471 0.000 1.127 589 Y CA 0.254 58.231 58.100 -0.205 0.000 1.288 589 Y CB 0.151 38.584 38.460 -0.045 0.000 1.084 589 Y HN 0.228 nan 8.280 nan 0.000 0.530 590 G N 0.587 109.324 108.800 -0.105 0.000 2.385 590 G HA2 -0.283 3.919 3.960 0.404 0.000 0.294 590 G HA3 -0.283 3.919 3.960 0.404 0.000 0.294 590 G C -1.023 173.835 174.900 -0.069 0.000 1.070 590 G CA -0.265 44.787 45.100 -0.081 0.000 1.172 590 G HN 0.209 nan 8.290 nan 0.000 0.516 591 Y N -0.305 120.118 120.300 0.205 0.000 2.499 591 Y HA 0.701 5.492 4.550 0.402 0.000 0.347 591 Y C 0.608 176.583 175.900 0.126 0.000 0.987 591 Y CA -1.487 56.705 58.100 0.154 0.000 1.044 591 Y CB 2.145 40.714 38.460 0.181 0.000 1.245 591 Y HN 0.620 nan 8.280 nan 0.000 0.461 592 S N 3.612 119.452 115.700 0.232 0.000 2.452 592 S HA 0.730 5.443 4.470 0.404 0.000 0.284 592 S C -1.031 173.590 174.600 0.036 0.000 1.171 592 S CA -0.631 57.645 58.200 0.128 0.000 1.064 592 S CB 0.012 63.255 63.200 0.072 0.000 0.967 592 S HN 0.583 nan 8.310 nan 0.000 0.484 593 L N 2.460 123.690 121.223 0.010 0.000 2.341 593 L HA 0.573 5.156 4.340 0.404 0.000 0.278 593 L C -0.281 176.334 176.870 -0.425 0.000 1.005 593 L CA -0.689 54.051 54.840 -0.166 0.000 0.818 593 L CB 1.935 43.969 42.059 -0.042 0.000 1.259 593 L HN 0.648 nan 8.230 nan 0.000 0.418 594 E N 2.573 122.537 120.200 -0.394 0.000 2.175 594 E HA 0.533 5.126 4.350 0.404 0.000 0.278 594 E C -1.271 175.055 176.600 -0.456 0.000 0.969 594 E CA -0.447 55.693 56.400 -0.433 0.000 0.796 594 E CB 2.068 31.621 29.700 -0.245 0.000 1.104 594 E HN 0.259 nan 8.360 nan 0.000 0.395 595 L N 4.753 125.670 121.223 -0.510 0.000 2.376 595 L HA 0.537 5.120 4.340 0.404 0.000 0.275 595 L C -1.933 174.823 176.870 -0.189 0.000 0.987 595 L CA -0.332 54.273 54.840 -0.391 0.000 0.828 595 L CB 0.779 42.565 42.059 -0.455 0.000 1.249 595 L HN 0.511 nan 8.230 nan 0.000 0.409 596 L N 3.607 124.768 121.223 -0.102 0.000 2.319 596 L HA 0.658 5.240 4.340 0.404 0.000 0.267 596 L C -0.411 176.449 176.870 -0.018 0.000 1.011 596 L CA -0.459 54.367 54.840 -0.023 0.000 0.818 596 L CB 1.947 44.037 42.059 0.053 0.000 1.316 596 L HN 0.613 nan 8.230 nan 0.000 0.432 597 E N 1.524 121.713 120.200 -0.019 0.000 2.199 597 E HA 0.550 5.142 4.350 0.404 0.000 0.265 597 E C -1.562 175.021 176.600 -0.028 0.000 0.882 597 E CA -0.500 55.886 56.400 -0.023 0.000 0.759 597 E CB 1.568 31.247 29.700 -0.033 0.000 1.148 597 E HN 0.451 nan 8.360 nan 0.000 0.412 598 I N 5.996 126.550 120.570 -0.027 0.000 2.382 598 I HA 0.339 4.751 4.170 0.404 0.000 0.286 598 I C -0.460 175.644 176.117 -0.023 0.000 1.002 598 I CA -0.598 60.680 61.300 -0.037 0.000 1.135 598 I CB 1.384 39.351 38.000 -0.056 0.000 1.288 598 I HN 0.489 nan 8.210 nan 0.000 0.448 599 I N 7.484 128.042 120.570 -0.020 0.000 2.359 599 I HA 0.169 4.581 4.170 0.404 0.000 0.284 599 I C 1.241 177.353 176.117 -0.008 0.000 1.018 599 I CA -0.269 61.025 61.300 -0.011 0.000 1.173 599 I CB 1.252 39.246 38.000 -0.010 0.000 1.326 599 I HN 0.649 nan 8.210 nan 0.000 0.462 600 K N 5.657 126.054 120.400 -0.005 0.000 2.262 600 K HA 0.143 4.706 4.320 0.404 0.000 0.200 600 K C 0.708 177.304 176.600 -0.006 0.000 1.049 600 K CA 0.164 56.448 56.287 -0.005 0.000 0.979 600 K CB 0.364 32.864 32.500 -0.000 0.000 0.773 600 K HN 0.364 nan 8.250 nan 0.000 0.474 601 R N 1.615 122.115 120.500 -0.001 0.000 2.349 601 R HA 0.188 4.770 4.340 0.404 0.000 0.299 601 R C -0.433 175.872 176.300 0.009 0.000 1.027 601 R CA -0.108 55.992 56.100 0.000 0.000 0.958 601 R CB 0.647 30.948 30.300 0.001 0.000 1.047 601 R HN 0.295 nan 8.270 nan 0.000 0.468 602 N N 1.646 120.352 118.700 0.010 0.000 2.776 602 N HA -0.207 4.776 4.740 0.404 0.000 0.249 602 N C -1.065 174.505 175.510 0.101 0.000 1.111 602 N CA 0.669 53.742 53.050 0.039 0.000 0.711 602 N CB -0.810 37.691 38.487 0.025 0.000 1.065 602 N HN 0.623 nan 8.380 nan 0.000 0.556 603 N N 0.955 119.678 118.700 0.038 0.000 2.434 603 N HA 0.399 5.381 4.740 0.404 0.000 0.266 603 N C -2.193 173.267 175.510 -0.084 0.000 1.223 603 N CA -0.902 52.141 53.050 -0.012 0.000 0.972 603 N CB 0.285 38.729 38.487 -0.072 0.000 1.207 603 N HN 0.003 nan 8.380 nan 0.000 0.525 604 P HA 0.137 nan 4.420 nan 0.000 0.269 604 P C -0.322 176.766 177.300 -0.354 0.000 1.217 604 P CA 0.247 63.049 63.100 -0.497 0.000 0.783 604 P CB 0.685 31.958 31.700 -0.712 0.000 0.898 605 R N 0.883 121.228 120.500 -0.258 0.000 2.604 605 R HA 0.519 5.102 4.340 0.404 0.000 0.287 605 R C -0.527 175.548 176.300 -0.374 0.000 0.970 605 R CA -0.623 55.305 56.100 -0.286 0.000 0.946 605 R CB 0.791 30.919 30.300 -0.285 0.000 1.127 605 R HN 0.369 nan 8.270 nan 0.000 0.473 606 F N 1.848 121.711 119.950 -0.144 0.000 2.404 606 F HA 0.340 5.108 4.527 0.403 0.000 0.345 606 F C -0.117 175.492 175.800 -0.318 0.000 1.110 606 F CA -0.324 57.608 58.000 -0.114 0.000 1.130 606 F CB 0.705 39.628 39.000 -0.127 0.000 1.129 606 F HN 0.282 nan 8.300 nan 0.000 0.500 607 F N 2.248 122.250 119.950 0.087 0.000 2.347 607 F HA 0.495 5.265 4.527 0.405 0.000 0.366 607 F C 0.177 175.986 175.800 0.015 0.000 1.107 607 F CA -0.443 57.577 58.000 0.032 0.000 1.058 607 F CB 1.470 40.478 39.000 0.014 0.000 1.236 607 F HN 0.378 nan 8.300 nan 0.000 0.456 608 S N 1.936 117.678 115.700 0.071 0.000 2.579 608 S HA 0.379 5.092 4.470 0.404 0.000 0.272 608 S C 0.414 174.998 174.600 -0.026 0.000 1.141 608 S CA -0.766 57.438 58.200 0.008 0.000 0.843 608 S CB 1.306 64.436 63.200 -0.115 0.000 1.122 608 S HN 0.499 nan 8.310 nan 0.000 0.468 609 N N 1.274 119.967 118.700 -0.012 0.000 2.331 609 N HA -0.004 4.978 4.740 0.404 0.000 0.180 609 N C 0.274 175.759 175.510 -0.043 0.000 1.019 609 N CA 0.578 53.618 53.050 -0.015 0.000 0.881 609 N CB -0.332 38.156 38.487 0.001 0.000 0.972 609 N HN 0.763 nan 8.380 nan 0.000 0.435 610 E N 1.442 121.599 120.200 -0.072 0.000 2.376 610 E HA -0.021 4.572 4.350 0.404 0.000 0.266 610 E C 0.931 177.489 176.600 -0.071 0.000 1.009 610 E CA 0.092 56.445 56.400 -0.079 0.000 0.902 610 E CB 0.851 30.495 29.700 -0.093 0.000 0.972 610 E HN -0.049 nan 8.360 nan 0.000 0.439 611 K N 3.670 124.086 120.400 0.027 0.000 2.228 611 K HA -0.005 4.558 4.320 0.404 0.000 0.202 611 K C -0.217 176.592 176.600 0.349 0.000 1.051 611 K CA 0.476 56.873 56.287 0.184 0.000 0.960 611 K CB 0.163 32.841 32.500 0.297 0.000 0.743 611 K HN 0.463 nan 8.250 nan 0.000 0.458 612 F N 1.494 121.372 119.950 -0.119 0.000 2.461 612 F HA 0.244 5.015 4.527 0.405 0.000 0.321 612 F C 0.590 176.323 175.800 -0.112 0.000 1.203 612 F CA -0.947 57.003 58.000 -0.083 0.000 1.238 612 F CB 0.045 39.032 39.000 -0.021 0.000 1.528 612 F HN -0.085 nan 8.300 nan 0.000 0.554 613 I N -1.232 119.239 120.570 -0.164 0.000 3.735 613 I HA 0.045 4.458 4.170 0.404 0.000 0.310 613 I C 1.178 177.221 176.117 -0.122 0.000 1.270 613 I CA -0.033 60.991 61.300 -0.461 0.000 1.207 613 I CB -0.468 37.009 38.000 -0.872 0.000 1.013 613 I HN 0.067 nan 8.210 nan 0.000 0.452 614 K N 2.526 122.925 120.400 -0.002 0.000 2.447 614 K HA 0.176 4.739 4.320 0.404 0.000 0.281 614 K C 1.160 177.869 176.600 0.182 0.000 1.031 614 K CA 1.115 57.438 56.287 0.061 0.000 1.019 614 K CB 0.448 32.991 32.500 0.073 0.000 0.918 614 K HN 0.478 nan 8.250 nan 0.000 0.476 615 G N 3.143 112.021 108.800 0.131 0.000 2.213 615 G HA2 -0.260 3.942 3.960 0.404 0.000 0.226 615 G HA3 -0.260 3.942 3.960 0.404 0.000 0.226 615 G C -0.171 174.813 174.900 0.139 0.000 0.992 615 G CA -0.281 44.898 45.100 0.133 0.000 0.632 615 G HN 0.572 nan 8.290 nan 0.000 0.511 616 Y N 0.691 120.959 120.300 -0.054 0.000 2.469 616 Y HA 0.469 5.261 4.550 0.403 0.000 0.353 616 Y C 0.935 176.940 175.900 0.176 0.000 1.269 616 Y CA 1.011 59.056 58.100 -0.091 0.000 1.504 616 Y CB 0.118 38.200 38.460 -0.631 0.000 1.369 616 Y HN 0.687 nan 8.280 nan 0.000 0.654 617 F N -0.932 119.063 119.950 0.075 0.000 2.842 617 F HA 0.515 5.285 4.527 0.405 0.000 0.319 617 F C -2.433 173.637 175.800 0.450 0.000 1.159 617 F CA -1.692 56.498 58.000 0.316 0.000 0.902 617 F CB 1.342 40.427 39.000 0.142 0.000 1.311 617 F HN 0.307 nan 8.300 nan 0.000 0.453 618 Y N 2.111 122.501 120.300 0.149 0.000 2.433 618 Y HA 0.491 5.283 4.550 0.403 0.000 0.337 618 Y C -1.367 174.548 175.900 0.024 0.000 1.026 618 Y CA -1.113 56.953 58.100 -0.056 0.000 1.037 618 Y CB 1.983 40.447 38.460 0.007 0.000 1.245 618 Y HN 0.835 nan 8.280 nan 0.000 0.443 619 K N 6.852 126.936 120.400 -0.526 0.000 2.253 619 K HA 0.500 5.063 4.320 0.404 0.000 0.277 619 K C -1.185 175.224 176.600 -0.318 0.000 1.053 619 K CA -0.322 55.821 56.287 -0.239 0.000 0.892 619 K CB 0.569 32.990 32.500 -0.133 0.000 1.102 619 K HN 0.777 nan 8.250 nan 0.000 0.469 620 L N 1.735 122.909 121.223 -0.082 0.000 2.400 620 L HA 0.288 4.870 4.340 0.404 0.000 0.264 620 L C 0.662 177.511 176.870 -0.035 0.000 1.061 620 L CA -0.551 54.273 54.840 -0.026 0.000 0.799 620 L CB 1.554 43.650 42.059 0.062 0.000 1.240 620 L HN 0.679 nan 8.230 nan 0.000 0.461 621 S N 0.233 115.924 115.700 -0.015 0.000 2.569 621 S HA -0.015 4.697 4.470 0.404 0.000 0.274 621 S C 0.165 174.765 174.600 0.001 0.000 1.353 621 S CA -0.058 58.130 58.200 -0.020 0.000 1.023 621 S CB 0.066 63.267 63.200 0.001 0.000 0.876 621 S HN 0.666 nan 8.310 nan 0.000 0.540 622 E N 1.148 121.346 120.200 -0.003 0.000 2.222 622 E HA -0.214 4.378 4.350 0.404 0.000 0.189 622 E C -0.231 176.376 176.600 0.012 0.000 1.415 622 E CA 0.655 57.060 56.400 0.009 0.000 0.689 622 E CB -1.727 27.986 29.700 0.022 0.000 1.107 622 E HN 0.777 nan 8.360 nan 0.000 0.350 623 D N -1.159 119.244 120.400 0.004 0.000 2.983 623 D HA -0.182 4.701 4.640 0.404 0.000 0.225 623 D C -0.689 175.619 176.300 0.014 0.000 1.174 623 D CA 1.781 55.786 54.000 0.009 0.000 0.831 623 D CB -0.874 39.934 40.800 0.014 0.000 1.104 623 D HN 0.477 nan 8.370 nan 0.000 0.421 624 S N -1.845 113.866 115.700 0.019 0.000 2.568 624 S HA 0.843 5.555 4.470 0.404 0.000 0.302 624 S C -0.158 174.472 174.600 0.050 0.000 1.082 624 S CA -0.865 57.351 58.200 0.028 0.000 1.009 624 S CB 3.181 66.397 63.200 0.027 0.000 1.069 624 S HN 0.000 nan 8.310 nan 0.000 0.500 625 V N 1.734 121.690 119.914 0.071 0.000 2.841 625 V HA 0.464 4.827 4.120 0.404 0.000 0.310 625 V C -0.755 175.430 176.094 0.152 0.000 1.090 625 V CA -0.772 61.611 62.300 0.138 0.000 0.930 625 V CB 1.868 33.779 31.823 0.146 0.000 1.014 625 V HN 0.923 nan 8.190 nan 0.000 0.425 626 I N 4.664 125.370 120.570 0.226 0.000 2.342 626 I HA 0.438 4.851 4.170 0.404 0.000 0.291 626 I C -0.873 175.479 176.117 0.392 0.000 1.010 626 I CA -0.375 61.052 61.300 0.212 0.000 1.308 626 I CB 1.400 39.453 38.000 0.089 0.000 1.400 626 I HN 0.336 nan 8.210 nan 0.000 0.488 627 L N 7.169 128.579 121.223 0.312 0.000 2.406 627 L HA 0.666 5.249 4.340 0.404 0.000 0.272 627 L C -0.206 176.836 176.870 0.286 0.000 0.980 627 L CA -0.389 54.633 54.840 0.303 0.000 0.831 627 L CB 1.579 43.707 42.059 0.116 0.000 1.253 627 L HN 0.633 nan 8.230 nan 0.000 0.406 628 A N 2.612 125.607 122.820 0.291 0.000 2.409 628 A HA 0.519 5.082 4.320 0.404 0.000 0.262 628 A C 0.817 178.452 177.584 0.085 0.000 1.113 628 A CA 0.429 52.589 52.037 0.205 0.000 0.790 628 A CB -0.064 18.939 19.000 0.004 0.000 1.046 628 A HN 0.906 nan 8.150 nan 0.000 0.496 629 T N -0.934 113.675 114.554 0.091 0.000 3.044 629 T HA 0.398 4.990 4.350 0.404 0.000 0.260 629 T C -0.098 174.692 174.700 0.151 0.000 1.019 629 T CA 0.600 62.730 62.100 0.050 0.000 0.921 629 T CB -0.586 68.311 68.868 0.049 0.000 1.053 629 T HN 1.070 nan 8.240 nan 0.000 0.533 630 Y N -0.507 119.829 120.300 0.060 0.000 2.624 630 Y HA 0.623 5.415 4.550 0.404 0.000 0.334 630 Y C -1.529 174.385 175.900 0.024 0.000 1.155 630 Y CA -1.779 56.336 58.100 0.025 0.000 1.046 630 Y CB 0.661 39.133 38.460 0.019 0.000 1.316 630 Y HN -0.191 nan 8.280 nan 0.000 0.457 631 N N 2.037 120.754 118.700 0.027 0.000 2.513 631 N HA 0.112 5.094 4.740 0.404 0.000 0.274 631 N C -1.047 174.408 175.510 -0.091 0.000 1.189 631 N CA -0.663 52.291 53.050 -0.159 0.000 0.975 631 N CB 1.050 39.393 38.487 -0.240 0.000 1.157 631 N HN 0.726 nan 8.380 nan 0.000 0.465 632 Q N 0.883 120.558 119.800 -0.209 0.000 2.320 632 Q HA 0.100 4.682 4.340 0.404 0.000 0.262 632 Q C -0.543 175.492 176.000 0.058 0.000 1.225 632 Q CA 0.111 55.859 55.803 -0.091 0.000 0.916 632 Q CB 0.217 28.872 28.738 -0.139 0.000 1.417 632 Q HN 0.271 nan 8.270 nan 0.000 0.462 633 V N 4.541 124.545 119.914 0.149 0.000 2.461 633 V HA 0.087 4.449 4.120 0.404 0.000 0.275 633 V C -0.095 176.100 176.094 0.169 0.000 1.047 633 V CA -0.510 61.883 62.300 0.155 0.000 0.955 633 V CB 0.010 31.916 31.823 0.138 0.000 0.988 633 V HN 0.615 nan 8.190 nan 0.000 0.471 634 Y N 4.234 124.548 120.300 0.023 0.000 2.258 634 Y HA 0.352 5.145 4.550 0.405 0.000 0.345 634 Y C 1.271 177.168 175.900 -0.005 0.000 1.303 634 Y CA 0.698 58.802 58.100 0.006 0.000 1.537 634 Y CB 0.517 38.976 38.460 -0.001 0.000 1.383 634 Y HN 0.826 nan 8.280 nan 0.000 0.606 635 E N 0.015 119.598 120.200 -1.029 0.000 4.030 635 E HA -0.218 4.374 4.350 0.404 0.000 0.184 635 E C 0.491 176.857 176.600 -0.391 0.000 1.169 635 E CA 1.323 57.211 56.400 -0.853 0.000 2.421 635 E CB -1.808 27.445 29.700 -0.744 0.000 1.757 635 E HN 1.148 nan 8.360 nan 0.000 0.445 636 G N 0.314 108.957 108.800 -0.261 0.000 2.527 636 G HA2 0.414 4.617 3.960 0.404 0.000 0.248 636 G HA3 0.414 4.617 3.960 0.404 0.000 0.248 636 G C -0.335 174.520 174.900 -0.074 0.000 1.231 636 G CA 0.372 45.370 45.100 -0.170 0.000 0.838 636 G HN 0.220 nan 8.290 nan 0.000 0.570 637 T N 0.452 114.975 114.554 -0.052 0.000 2.834 637 T HA 0.109 4.702 4.350 0.404 0.000 0.298 637 T C 0.238 174.992 174.700 0.089 0.000 0.966 637 T CA 0.205 62.300 62.100 -0.007 0.000 1.141 637 T CB 0.498 69.350 68.868 -0.027 0.000 0.905 637 T HN 0.624 nan 8.240 nan 0.000 0.535 638 H N 3.349 122.400 119.070 -0.032 0.000 2.934 638 H HA 0.288 5.087 4.556 0.405 0.000 0.273 638 H C -0.187 175.073 175.328 -0.113 0.000 1.121 638 H CA -0.296 55.679 56.048 -0.122 0.000 1.451 638 H CB 0.176 29.736 29.762 -0.338 0.000 1.469 638 H HN 0.502 nan 8.280 nan 0.000 0.476 639 Q N 7.525 127.077 119.800 -0.413 0.000 2.348 639 Q HA 0.294 4.877 4.340 0.404 0.000 0.265 639 Q C -2.425 173.311 176.000 -0.441 0.000 0.998 639 Q CA -2.334 53.265 55.803 -0.340 0.000 0.831 639 Q CB 1.889 30.556 28.738 -0.118 0.000 1.251 639 Q HN 0.623 nan 8.270 nan 0.000 0.456 640 P HA 0.043 nan 4.420 nan 0.000 0.272 640 P C -0.367 176.898 177.300 -0.057 0.000 1.223 640 P CA -0.046 62.964 63.100 -0.151 0.000 0.784 640 P CB 1.077 32.853 31.700 0.128 0.000 0.923 641 I N 1.410 121.979 120.570 -0.002 0.000 2.581 641 I HA 0.131 4.543 4.170 0.404 0.000 0.288 641 I C 1.161 177.286 176.117 0.014 0.000 1.047 641 I CA -0.311 60.989 61.300 -0.000 0.000 1.374 641 I CB 0.549 38.545 38.000 -0.007 0.000 1.423 641 I HN 0.289 nan 8.210 nan 0.000 0.549 642 K N 5.639 126.039 120.400 0.000 0.000 2.265 642 K HA 0.536 5.099 4.320 0.404 0.000 0.267 642 K C -1.492 175.106 176.600 -0.004 0.000 0.994 642 K CA -0.458 55.835 56.287 0.010 0.000 0.860 642 K CB 1.295 33.797 32.500 0.003 0.000 1.099 642 K HN 0.376 nan 8.250 nan 0.000 0.448 643 V N 4.647 124.561 119.914 0.001 0.000 2.667 643 V HA 0.551 4.914 4.120 0.404 0.000 0.308 643 V C -0.518 175.571 176.094 -0.008 0.000 1.048 643 V CA -0.867 61.418 62.300 -0.025 0.000 0.928 643 V CB 1.766 33.559 31.823 -0.051 0.000 1.004 643 V HN 0.800 nan 8.190 nan 0.000 0.444 644 R N 3.056 123.547 120.500 -0.016 0.000 2.531 644 R HA 0.298 4.881 4.340 0.404 0.000 0.293 644 R C -0.726 175.570 176.300 -0.007 0.000 1.124 644 R CA -0.706 55.391 56.100 -0.005 0.000 0.945 644 R CB 1.244 31.542 30.300 -0.004 0.000 1.195 644 R HN 0.754 nan 8.270 nan 0.000 0.433 645 K N 4.217 124.614 120.400 -0.004 0.000 2.336 645 K HA 0.074 4.637 4.320 0.404 0.000 0.290 645 K C 0.436 177.049 176.600 0.022 0.000 1.067 645 K CA -0.138 56.145 56.287 -0.007 0.000 0.962 645 K CB 0.891 33.387 32.500 -0.008 0.000 1.008 645 K HN 0.395 nan 8.250 nan 0.000 0.467 646 V N 5.232 125.164 119.914 0.030 0.000 2.323 646 V HA -0.099 4.264 4.120 0.404 0.000 0.244 646 V C 0.514 176.736 176.094 0.214 0.000 1.041 646 V CA 1.388 63.748 62.300 0.100 0.000 1.025 646 V CB -0.809 31.079 31.823 0.109 0.000 0.656 646 V HN 0.869 nan 8.190 nan 0.000 0.451 647 Y N -2.344 117.945 120.300 -0.019 0.000 2.744 647 Y HA 0.781 5.570 4.550 0.399 0.000 0.330 647 Y C -0.383 175.509 175.900 -0.014 0.000 1.263 647 Y CA -0.489 57.607 58.100 -0.008 0.000 1.065 647 Y CB 1.395 39.860 38.460 0.007 0.000 1.306 647 Y HN 0.226 nan 8.280 nan 0.000 0.459 648 G N 0.737 109.542 108.800 0.009 0.000 2.326 648 G HA2 0.055 4.257 3.960 0.404 0.000 0.413 648 G HA3 0.055 4.257 3.960 0.404 0.000 0.413 648 G C -0.832 174.067 174.900 -0.002 0.000 1.444 648 G CA -0.361 44.673 45.100 -0.110 0.000 1.002 648 G HN 0.804 nan 8.290 nan 0.000 0.649 649 E N -0.853 119.338 120.200 -0.014 0.000 2.318 649 E HA 0.161 4.754 4.350 0.404 0.000 0.193 649 E C 1.084 177.680 176.600 -0.007 0.000 0.998 649 E CA 0.172 56.576 56.400 0.007 0.000 0.859 649 E CB 0.149 29.855 29.700 0.010 0.000 0.812 649 E HN 0.376 nan 8.360 nan 0.000 0.492 650 L N 2.224 123.432 121.223 -0.025 0.000 2.395 650 L HA 0.259 4.842 4.340 0.404 0.000 0.269 650 L C -2.152 174.707 176.870 -0.019 0.000 1.133 650 L CA -2.075 52.752 54.840 -0.022 0.000 0.812 650 L CB 0.278 42.321 42.059 -0.028 0.000 1.125 650 L HN -0.195 nan 8.230 nan 0.000 0.452 651 P HA -0.003 nan 4.420 nan 0.000 0.269 651 P C 0.828 178.111 177.300 -0.027 0.000 1.215 651 P CA -0.323 62.766 63.100 -0.018 0.000 0.780 651 P CB 0.643 32.330 31.700 -0.021 0.000 0.898 652 V N 1.360 121.258 119.914 -0.028 0.000 2.427 652 V HA -0.211 4.152 4.120 0.404 0.000 0.248 652 V C 1.913 177.960 176.094 -0.078 0.000 1.051 652 V CA 1.777 64.054 62.300 -0.038 0.000 1.048 652 V CB -1.363 30.448 31.823 -0.021 0.000 0.666 652 V HN 0.478 nan 8.190 nan 0.000 0.456 653 E N 0.731 120.871 120.200 -0.100 0.000 2.130 653 E HA -0.178 4.414 4.350 0.404 0.000 0.196 653 E C 2.114 178.632 176.600 -0.136 0.000 0.998 653 E CA 1.547 57.837 56.400 -0.185 0.000 0.806 653 E CB -0.546 29.050 29.700 -0.173 0.000 0.738 653 E HN 0.491 nan 8.360 nan 0.000 0.459 654 V N 0.489 120.358 119.914 -0.074 0.000 2.379 654 V HA -0.184 4.179 4.120 0.404 0.000 0.245 654 V C 2.154 178.235 176.094 -0.023 0.000 1.044 654 V CA 1.263 63.539 62.300 -0.040 0.000 1.036 654 V CB -0.473 31.341 31.823 -0.015 0.000 0.664 654 V HN 0.243 nan 8.190 nan 0.000 0.453 655 L N -0.736 120.474 121.223 -0.021 0.000 2.042 655 L HA -0.222 4.360 4.340 0.404 0.000 0.210 655 L C 2.685 179.524 176.870 -0.052 0.000 1.076 655 L CA 1.481 56.326 54.840 0.007 0.000 0.749 655 L CB -0.985 41.078 42.059 0.007 0.000 0.893 655 L HN 0.366 nan 8.230 nan 0.000 0.432 656 C N 0.004 119.239 119.300 -0.107 0.000 2.413 656 C HA -0.181 4.521 4.460 0.404 0.000 0.276 656 C C 3.342 178.218 174.990 -0.189 0.000 1.236 656 C CA 1.351 60.270 59.018 -0.164 0.000 1.735 656 C CB -0.875 26.745 27.740 -0.201 0.000 2.031 656 C HN 0.723 nan 8.230 nan 0.000 0.474 657 S N 0.934 116.547 115.700 -0.145 0.000 2.383 657 S HA -0.267 4.446 4.470 0.404 0.000 0.229 657 S C 1.616 176.140 174.600 -0.125 0.000 1.030 657 S CA 1.595 59.737 58.200 -0.096 0.000 1.002 657 S CB -0.699 62.512 63.200 0.018 0.000 0.829 657 S HN 0.788 nan 8.310 nan 0.000 0.467 658 Q N 1.245 120.983 119.800 -0.105 0.000 2.002 658 Q HA -0.042 4.540 4.340 0.404 0.000 0.204 658 Q C 2.329 178.147 176.000 -0.302 0.000 0.988 658 Q CA 1.731 57.431 55.803 -0.172 0.000 0.843 658 Q CB -0.650 28.066 28.738 -0.037 0.000 0.908 658 Q HN 0.539 nan 8.270 nan 0.000 0.420 659 I N 1.089 121.488 120.570 -0.285 0.000 2.103 659 I HA -0.393 4.019 4.170 0.404 0.000 0.241 659 I C 2.458 178.330 176.117 -0.409 0.000 1.036 659 I CA 1.582 62.651 61.300 -0.387 0.000 1.300 659 I CB -0.563 37.202 38.000 -0.392 0.000 1.010 659 I HN 0.243 nan 8.210 nan 0.000 0.406 660 L N -0.280 120.654 121.223 -0.481 0.000 2.042 660 L HA -0.242 4.341 4.340 0.404 0.000 0.210 660 L C 2.729 179.104 176.870 -0.824 0.000 1.076 660 L CA 1.289 55.645 54.840 -0.807 0.000 0.749 660 L CB -0.603 40.685 42.059 -1.286 0.000 0.893 660 L HN 0.225 nan 8.230 nan 0.000 0.432 661 S N 0.123 115.539 115.700 -0.472 0.000 2.359 661 S HA -0.179 4.533 4.470 0.404 0.000 0.223 661 S C 1.942 176.394 174.600 -0.246 0.000 1.039 661 S CA 1.483 59.591 58.200 -0.154 0.000 1.042 661 S CB -0.328 62.823 63.200 -0.082 0.000 0.915 661 S HN 0.282 nan 8.310 nan 0.000 0.439 662 L N 0.721 121.732 121.223 -0.352 0.000 2.131 662 L HA -0.111 4.472 4.340 0.404 0.000 0.210 662 L C 2.563 179.241 176.870 -0.320 0.000 1.092 662 L CA 1.082 55.690 54.840 -0.387 0.000 0.759 662 L CB -1.267 40.502 42.059 -0.483 0.000 0.903 662 L HN 0.272 nan 8.230 nan 0.000 0.435 663 T N 0.650 115.024 114.554 -0.300 0.000 2.771 663 T HA -0.278 4.315 4.350 0.404 0.000 0.262 663 T C 1.695 176.262 174.700 -0.220 0.000 1.027 663 T CA 1.843 63.794 62.100 -0.249 0.000 1.159 663 T CB -0.342 68.363 68.868 -0.271 0.000 0.844 663 T HN 0.268 nan 8.240 nan 0.000 0.478 664 L N -0.421 120.677 121.223 -0.209 0.000 2.446 664 L HA 0.151 4.734 4.340 0.404 0.000 0.219 664 L C 2.199 178.875 176.870 -0.324 0.000 1.116 664 L CA 0.277 55.015 54.840 -0.170 0.000 0.844 664 L CB -0.223 41.794 42.059 -0.071 0.000 0.970 664 L HN 0.220 nan 8.230 nan 0.000 0.457 665 M N -0.608 118.763 119.600 -0.381 0.000 2.595 665 M HA 0.029 4.751 4.480 0.404 0.000 0.248 665 M C 1.271 177.323 176.300 -0.414 0.000 1.119 665 M CA 0.679 55.637 55.300 -0.570 0.000 1.079 665 M CB -0.816 31.602 32.600 -0.304 0.000 1.472 665 M HN 0.212 nan 8.290 nan 0.000 0.501 666 N N 0.559 119.109 118.700 -0.250 0.000 2.585 666 N HA -0.128 4.855 4.740 0.404 0.000 0.188 666 N C -0.399 175.095 175.510 -0.027 0.000 1.102 666 N CA 0.327 53.300 53.050 -0.129 0.000 0.920 666 N CB -0.456 37.841 38.487 -0.317 0.000 0.963 666 N HN 0.390 nan 8.380 nan 0.000 0.447 667 Y N -0.326 119.958 120.300 -0.026 0.000 3.001 667 Y HA -0.271 4.520 4.550 0.402 0.000 0.187 667 Y C 0.441 176.362 175.900 0.035 0.000 1.462 667 Y CA 0.284 58.390 58.100 0.010 0.000 0.936 667 Y CB -2.005 36.392 38.460 -0.104 0.000 1.337 667 Y HN -0.041 nan 8.280 nan 0.000 0.428 668 S N -0.905 114.876 115.700 0.135 0.000 2.539 668 S HA 0.325 5.037 4.470 0.404 0.000 0.185 668 S C 0.909 175.589 174.600 0.133 0.000 1.181 668 S CA 0.117 58.394 58.200 0.128 0.000 1.216 668 S CB 0.022 63.242 63.200 0.034 0.000 1.476 668 S HN 0.374 nan 8.310 nan 0.000 0.395 669 S N 0.990 116.793 115.700 0.172 0.000 2.400 669 S HA -0.133 4.579 4.470 0.404 0.000 0.234 669 S C 1.076 175.632 174.600 -0.074 0.000 1.049 669 S CA 1.785 59.985 58.200 -0.000 0.000 1.039 669 S CB -0.373 62.763 63.200 -0.107 0.000 0.856 669 S HN 0.734 nan 8.310 nan 0.000 0.465 670 F N 0.853 120.813 119.950 0.016 0.000 2.164 670 F HA 0.216 4.985 4.527 0.403 0.000 0.287 670 F C 1.659 177.477 175.800 0.030 0.000 1.086 670 F CA 0.126 58.144 58.000 0.030 0.000 1.249 670 F CB -0.556 38.437 39.000 -0.012 0.000 1.059 670 F HN 0.077 nan 8.300 nan 0.000 0.490 671 Q N 1.438 121.362 119.800 0.207 0.000 2.368 671 Q HA 0.172 4.754 4.340 0.404 0.000 0.237 671 Q C -2.341 173.654 176.000 -0.009 0.000 0.987 671 Q CA -1.705 54.148 55.803 0.083 0.000 0.896 671 Q CB 0.686 29.455 28.738 0.051 0.000 1.241 671 Q HN -0.122 nan 8.270 nan 0.000 0.485 672 P HA 0.260 nan 4.420 nan 0.000 0.212 672 P C -0.969 176.133 177.300 -0.329 0.000 1.860 672 P CA -0.224 62.764 63.100 -0.188 0.000 1.135 672 P CB 0.010 31.579 31.700 -0.218 0.000 1.801 673 I N 2.482 122.930 120.570 -0.204 0.000 2.662 673 I HA -0.031 4.381 4.170 0.404 0.000 0.285 673 I C 1.893 177.897 176.117 -0.188 0.000 1.161 673 I CA 0.355 61.529 61.300 -0.211 0.000 1.415 673 I CB 0.702 38.541 38.000 -0.268 0.000 1.385 673 I HN 0.204 nan 8.210 nan 0.000 0.552 674 K N 5.862 126.160 120.400 -0.170 0.000 2.116 674 K HA 0.062 4.625 4.320 0.404 0.000 0.203 674 K C 0.421 177.026 176.600 0.007 0.000 1.052 674 K CA 0.740 57.004 56.287 -0.038 0.000 0.952 674 K CB 0.232 32.719 32.500 -0.022 0.000 0.729 674 K HN 0.443 nan 8.250 nan 0.000 0.446 675 L N 2.247 123.482 121.223 0.021 0.000 2.379 675 L HA 0.304 4.886 4.340 0.404 0.000 0.269 675 L C -2.167 174.679 176.870 -0.040 0.000 1.084 675 L CA -2.359 52.496 54.840 0.025 0.000 0.802 675 L CB 1.129 43.262 42.059 0.124 0.000 1.175 675 L HN 0.107 nan 8.230 nan 0.000 0.448 676 P HA 0.113 nan 4.420 nan 0.000 0.279 676 P C -0.236 177.012 177.300 -0.085 0.000 1.252 676 P CA -0.519 62.485 63.100 -0.160 0.000 0.811 676 P CB 1.147 32.691 31.700 -0.259 0.000 1.035 677 A N 1.653 124.376 122.820 -0.162 0.000 2.076 677 A HA -0.153 4.410 4.320 0.404 0.000 0.220 677 A C 1.919 179.488 177.584 -0.024 0.000 1.160 677 A CA 2.315 54.309 52.037 -0.072 0.000 0.653 677 A CB -1.920 16.965 19.000 -0.190 0.000 0.801 677 A HN 0.691 nan 8.150 nan 0.000 0.455 678 T N -2.178 112.293 114.554 -0.137 0.000 2.821 678 T HA -0.066 4.526 4.350 0.404 0.000 0.267 678 T C 1.323 176.069 174.700 0.077 0.000 1.046 678 T CA 1.688 63.813 62.100 0.042 0.000 1.139 678 T CB -0.642 68.281 68.868 0.092 0.000 0.871 678 T HN 0.923 nan 8.240 nan 0.000 0.454 679 V N -1.535 118.418 119.914 0.065 0.000 3.346 679 V HA 0.419 4.782 4.120 0.404 0.000 0.309 679 V C 0.450 176.585 176.094 0.068 0.000 1.457 679 V CA -0.772 61.552 62.300 0.040 0.000 1.069 679 V CB -1.377 30.474 31.823 0.047 0.000 0.944 679 V HN 0.592 nan 8.190 nan 0.000 0.449 680 H N 0.118 119.211 119.070 0.038 0.000 2.848 680 H HA 0.300 5.100 4.556 0.406 0.000 0.341 680 H C 0.427 175.871 175.328 0.194 0.000 1.060 680 H CA 0.644 56.763 56.048 0.119 0.000 1.444 680 H CB -0.069 29.779 29.762 0.144 0.000 1.446 680 H HN 0.311 nan 8.280 nan 0.000 0.583 681 Y N 1.882 121.829 120.300 -0.588 0.000 4.819 681 Y HA -0.416 4.373 4.550 0.399 0.000 0.230 681 Y C 2.104 177.849 175.900 -0.257 0.000 1.009 681 Y CA 0.871 58.698 58.100 -0.455 0.000 1.971 681 Y CB -1.647 36.499 38.460 -0.523 0.000 1.587 681 Y HN 0.672 nan 8.280 nan 0.000 0.587 682 S N -0.026 115.654 115.700 -0.033 0.000 2.348 682 S HA -0.264 4.448 4.470 0.404 0.000 0.221 682 S C 1.599 176.242 174.600 0.073 0.000 1.033 682 S CA 1.627 59.875 58.200 0.080 0.000 1.010 682 S CB -0.329 62.900 63.200 0.049 0.000 0.891 682 S HN 0.737 nan 8.310 nan 0.000 0.442 683 D N 0.793 121.203 120.400 0.018 0.000 2.218 683 D HA -0.110 4.773 4.640 0.404 0.000 0.204 683 D C 1.898 178.168 176.300 -0.051 0.000 0.976 683 D CA 1.136 55.137 54.000 0.002 0.000 0.853 683 D CB -0.034 40.766 40.800 0.001 0.000 0.939 683 D HN 0.236 nan 8.370 nan 0.000 0.481 684 K N -0.227 120.101 120.400 -0.119 0.000 2.026 684 K HA -0.084 4.478 4.320 0.404 0.000 0.208 684 K C 2.193 178.721 176.600 -0.120 0.000 1.048 684 K CA 1.063 57.247 56.287 -0.172 0.000 0.929 684 K CB -0.082 32.202 32.500 -0.361 0.000 0.713 684 K HN 0.300 nan 8.250 nan 0.000 0.439 685 I N 0.133 120.630 120.570 -0.122 0.000 2.202 685 I HA -0.256 4.157 4.170 0.404 0.000 0.242 685 I C 2.341 178.372 176.117 -0.144 0.000 1.091 685 I CA 1.178 62.367 61.300 -0.184 0.000 1.368 685 I CB -0.428 37.319 38.000 -0.422 0.000 1.058 685 I HN 0.211 nan 8.210 nan 0.000 0.410 686 T N 0.790 115.300 114.554 -0.074 0.000 2.665 686 T HA -0.198 4.395 4.350 0.404 0.000 0.268 686 T C 1.953 176.655 174.700 0.003 0.000 1.035 686 T CA 1.423 63.524 62.100 0.002 0.000 1.151 686 T CB -0.044 68.872 68.868 0.081 0.000 0.862 686 T HN 0.154 nan 8.240 nan 0.000 0.438 687 K N 0.515 120.910 120.400 -0.008 0.000 2.217 687 K HA 0.055 4.618 4.320 0.404 0.000 0.202 687 K C 2.148 178.740 176.600 -0.012 0.000 1.051 687 K CA 0.603 56.889 56.287 -0.002 0.000 0.952 687 K CB -0.403 32.090 32.500 -0.011 0.000 0.736 687 K HN 0.309 nan 8.250 nan 0.000 0.453 688 L N 0.474 121.676 121.223 -0.035 0.000 2.131 688 L HA -0.012 4.570 4.340 0.404 0.000 0.206 688 L C 1.954 178.806 176.870 -0.030 0.000 1.087 688 L CA 1.415 56.233 54.840 -0.038 0.000 0.767 688 L CB -0.249 41.775 42.059 -0.058 0.000 0.917 688 L HN -0.020 nan 8.230 nan 0.000 0.441 689 M N -1.065 118.512 119.600 -0.038 0.000 2.349 689 M HA -0.075 4.648 4.480 0.404 0.000 0.266 689 M C 2.284 178.580 176.300 -0.007 0.000 1.076 689 M CA 1.026 56.307 55.300 -0.030 0.000 1.126 689 M CB -0.927 31.644 32.600 -0.049 0.000 1.392 689 M HN 0.332 nan 8.290 nan 0.000 0.440 690 L N 0.191 121.417 121.223 0.005 0.000 1.971 690 L HA -0.280 4.302 4.340 0.404 0.000 0.215 690 L C 2.709 179.591 176.870 0.020 0.000 1.072 690 L CA 1.800 56.653 54.840 0.022 0.000 0.758 690 L CB -0.624 41.454 42.059 0.030 0.000 0.889 690 L HN 0.314 nan 8.230 nan 0.000 0.433 691 R N -0.081 120.429 120.500 0.017 0.000 2.174 691 R HA -0.140 4.442 4.340 0.404 0.000 0.253 691 R C 1.127 177.438 176.300 0.018 0.000 1.165 691 R CA 0.818 56.931 56.100 0.021 0.000 0.984 691 R CB -0.563 29.749 30.300 0.020 0.000 0.873 691 R HN 0.474 nan 8.270 nan 0.000 0.456 692 G N -0.004 108.802 108.800 0.010 0.000 2.825 692 G HA2 0.084 4.287 3.960 0.404 0.000 0.241 692 G HA3 0.084 4.287 3.960 0.404 0.000 0.241 692 G C 0.187 175.093 174.900 0.010 0.000 1.239 692 G CA -0.139 44.965 45.100 0.006 0.000 0.859 692 G HN 0.335 nan 8.290 nan 0.000 0.598 693 I N -0.476 120.098 120.570 0.007 0.000 3.813 693 I HA 0.374 4.787 4.170 0.404 0.000 0.323 693 I C 0.133 176.253 176.117 0.004 0.000 1.536 693 I CA 0.314 61.619 61.300 0.008 0.000 1.083 693 I CB 0.274 38.280 38.000 0.010 0.000 1.265 693 I HN 0.404 nan 8.210 nan 0.000 0.507 694 E N 1.967 122.168 120.200 0.002 0.000 2.389 694 E HA 0.266 4.859 4.350 0.404 0.000 0.281 694 E C -2.715 173.883 176.600 -0.002 0.000 1.072 694 E CA -1.312 55.088 56.400 -0.000 0.000 0.845 694 E CB 2.405 32.104 29.700 -0.002 0.000 1.239 694 E HN -0.178 nan 8.360 nan 0.000 0.434 695 P HA 0.181 nan 4.420 nan 0.000 0.264 695 P C -0.577 176.716 177.300 -0.011 0.000 1.193 695 P CA 0.436 63.532 63.100 -0.006 0.000 0.763 695 P CB 0.410 32.108 31.700 -0.003 0.000 0.810 696 I N 3.026 123.585 120.570 -0.019 0.000 2.509 696 I HA 0.374 4.786 4.170 0.404 0.000 0.293 696 I C 0.432 176.533 176.117 -0.027 0.000 1.020 696 I CA -0.507 60.782 61.300 -0.019 0.000 1.088 696 I CB 2.275 40.264 38.000 -0.017 0.000 1.267 696 I HN 0.307 nan 8.210 nan 0.000 0.430 697 K N 6.105 126.500 120.400 -0.008 0.000 3.098 697 K HA 0.399 4.961 4.320 0.404 0.000 0.204 697 K C -1.595 175.021 176.600 0.027 0.000 1.210 697 K CA -0.581 55.708 56.287 0.005 0.000 0.899 697 K CB 0.544 33.041 32.500 -0.004 0.000 1.176 697 K HN 0.426 nan 8.250 nan 0.000 0.585 698 K N 1.607 122.037 120.400 0.049 0.000 2.295 698 K HA 0.480 5.042 4.320 0.404 0.000 0.239 698 K C -0.796 175.823 176.600 0.032 0.000 0.991 698 K CA -0.975 55.333 56.287 0.033 0.000 0.845 698 K CB 1.935 34.451 32.500 0.027 0.000 1.197 698 K HN 0.619 nan 8.250 nan 0.000 0.441 699 E N -0.610 119.504 120.200 -0.144 0.000 2.447 699 E HA 0.708 5.301 4.350 0.404 0.000 0.279 699 E C -0.755 175.349 176.600 -0.827 0.000 1.053 699 E CA -1.296 54.774 56.400 -0.550 0.000 0.840 699 E CB 1.929 31.355 29.700 -0.457 0.000 1.409 699 E HN 0.683 nan 8.360 nan 0.000 0.461 700 G N 0.256 108.205 108.800 -1.418 0.000 2.340 700 G HA2 0.392 4.595 3.960 0.404 0.000 0.299 700 G HA3 0.392 4.595 3.960 0.404 0.000 0.299 700 G C -1.810 172.754 174.900 -0.560 0.000 1.291 700 G CA -0.085 44.533 45.100 -0.804 0.000 0.841 700 G HN 0.693 nan 8.290 nan 0.000 0.500 701 D N -1.145 119.185 120.400 -0.117 0.000 2.895 701 D HA 0.514 5.397 4.640 0.404 0.000 0.350 701 D C -0.359 175.993 176.300 0.088 0.000 1.389 701 D CA -0.145 53.850 54.000 -0.008 0.000 0.812 701 D CB 0.273 41.032 40.800 -0.067 0.000 1.164 701 D HN 0.446 nan 8.370 nan 0.000 0.455 702 I N 0.075 120.795 120.570 0.250 0.000 2.649 702 I HA 0.194 4.606 4.170 0.404 0.000 0.289 702 I C -0.414 175.738 176.117 0.058 0.000 1.222 702 I CA -0.755 60.613 61.300 0.113 0.000 1.046 702 I CB 2.196 40.249 38.000 0.087 0.000 1.272 702 I HN -0.084 nan 8.210 nan 0.000 0.425 703 M N 6.941 126.349 119.600 -0.320 0.000 3.447 703 M HA 0.029 4.751 4.480 0.404 0.000 0.217 703 M C 0.686 176.423 176.300 -0.938 0.000 1.597 703 M CA 0.352 54.969 55.300 -1.138 0.000 1.695 703 M CB -0.655 31.267 32.600 -1.131 0.000 1.196 703 M HN 0.604 nan 8.290 nan 0.000 0.538 704 Y N -0.832 119.173 120.300 -0.492 0.000 2.616 704 Y HA -0.067 4.720 4.550 0.394 0.000 0.296 704 Y C 1.403 177.188 175.900 -0.191 0.000 1.154 704 Y CA 0.274 58.233 58.100 -0.236 0.000 1.325 704 Y CB -0.571 37.854 38.460 -0.058 0.000 1.007 704 Y HN 0.709 nan 8.280 nan 0.000 0.542 705 W N 0.067 120.891 121.300 -0.794 0.000 3.013 705 W HA 0.370 5.289 4.660 0.432 0.000 0.280 705 W C 0.152 176.386 176.519 -0.475 0.000 1.249 705 W CA -0.997 55.891 57.345 -0.761 0.000 1.577 705 W CB -0.674 28.274 29.460 -0.853 0.000 1.057 705 W HN -0.163 nan 8.180 nan 0.000 0.613 706 L N 0.000 120.703 121.223 -0.866 0.000 2.949 706 L HA 0.000 4.583 4.340 0.404 0.000 0.249 706 L CA 0.000 54.529 54.840 -0.517 0.000 0.813 706 L CB 0.000 41.790 42.059 -0.448 0.000 0.961 706 L HN 0.000 nan 8.230 nan 0.000 0.502