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 2hsa_1_A DATA FIRST_RESID 10 DATA SEQUENCE NPLFSPYKMG KFNLSHRVVL APMTRCRALN NIPQAALGEY YEQRATAGGF DATA SEQUENCE LITEGTMISP TSAGFPHVPG IFTKEQVREW KKIVDVVHAK GAVIFCQLWH DATA SEQUENCE VGRASHEVYQ PAGAAPISST EKPISNRWRI LMPDGTHGIY PKPRAIGTYE DATA SEQUENCE ISQVVEDYRR SALNAIEAGF DGIEIHGAHG YLIDQFLKDG INDRTDEYGG DATA SEQUENCE SLANRCKFIT QVVQAVVSAI GADRVGVRVS PAIDHLDAMD SNPLSLGLAV DATA SEQUENCE VERLNKIQLH SGSKLAYLHV TQPRYVAYGQ TEAGRLGSEE EEARLMRTLR DATA SEQUENCE NAYQGTFICS GGYTRELGIE AVAQGDADLV SYGRLFISNP DLVMRIKLNA DATA SEQUENCE PLNKYNRKTF YTQDPVVGYT DYPFLQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 10 N HA 0.000 nan 4.740 nan 0.000 0.220 10 N C 0.000 175.623 175.510 0.189 0.000 1.280 10 N CA 0.000 53.145 53.050 0.159 0.000 0.885 10 N CB 0.000 38.620 38.487 0.222 0.000 1.341 11 P HA -0.084 nan 4.420 nan 0.000 0.219 11 P C 1.104 178.432 177.300 0.046 0.000 1.146 11 P CA 0.814 63.963 63.100 0.082 0.000 0.808 11 P CB 0.308 32.042 31.700 0.057 0.000 0.779 12 L N -3.034 118.210 121.223 0.036 0.000 2.362 12 L HA -0.061 4.279 4.340 -0.000 0.000 0.219 12 L C 1.169 177.755 176.870 -0.473 0.000 1.134 12 L CA 0.911 55.648 54.840 -0.173 0.000 0.807 12 L CB -0.495 41.451 42.059 -0.189 0.000 0.927 12 L HN -0.044 nan 8.230 nan 0.000 0.447 13 F N -0.977 119.016 119.950 0.071 0.000 2.647 13 F HA 0.117 4.642 4.527 -0.002 0.000 0.300 13 F C 1.283 177.135 175.800 0.087 0.000 1.106 13 F CA -0.611 57.444 58.000 0.091 0.000 1.313 13 F CB 0.061 39.091 39.000 0.049 0.000 1.007 13 F HN -0.086 nan 8.300 nan 0.000 0.536 14 S N 0.094 115.869 115.700 0.124 0.000 2.537 14 S HA 0.488 4.958 4.470 -0.000 0.000 0.275 14 S C -2.695 171.965 174.600 0.100 0.000 1.272 14 S CA -1.676 56.592 58.200 0.113 0.000 1.050 14 S CB 1.188 64.443 63.200 0.092 0.000 0.961 14 S HN -0.146 nan 8.310 nan 0.000 0.496 15 P HA 0.224 nan 4.420 nan 0.000 0.269 15 P C -1.266 176.105 177.300 0.119 0.000 1.215 15 P CA -0.085 63.065 63.100 0.084 0.000 0.780 15 P CB 0.150 31.884 31.700 0.056 0.000 0.898 16 Y N 1.090 121.369 120.300 -0.036 0.000 2.421 16 Y HA 0.394 4.944 4.550 0.001 0.000 0.339 16 Y C -0.380 175.498 175.900 -0.037 0.000 0.996 16 Y CA -1.184 56.892 58.100 -0.040 0.000 1.046 16 Y CB 1.883 40.306 38.460 -0.062 0.000 1.226 16 Y HN 0.130 nan 8.280 nan 0.000 0.445 17 K N 7.529 127.431 120.400 -0.831 0.000 2.268 17 K HA 0.364 4.684 4.320 -0.000 0.000 0.276 17 K C -0.993 175.187 176.600 -0.700 0.000 1.080 17 K CA -0.516 55.437 56.287 -0.555 0.000 0.910 17 K CB 0.411 32.689 32.500 -0.370 0.000 1.163 17 K HN 0.883 nan 8.250 nan 0.000 0.465 18 M N 5.968 125.405 119.600 -0.272 0.000 2.152 18 M HA 0.203 4.683 4.480 -0.000 0.000 0.354 18 M C 0.367 176.676 176.300 0.015 0.000 1.173 18 M CA 0.474 55.762 55.300 -0.020 0.000 1.110 18 M CB 0.220 32.880 32.600 0.101 0.000 1.366 18 M HN 0.986 nan 8.290 nan 0.000 0.415 19 G N 4.784 113.551 108.800 -0.056 0.000 2.591 19 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.298 19 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.298 19 G C 0.383 175.156 174.900 -0.212 0.000 1.195 19 G CA 0.693 45.731 45.100 -0.103 0.000 0.989 19 G HN 0.910 nan 8.290 nan 0.000 0.551 20 K N 0.250 120.411 120.400 -0.397 0.000 2.296 20 K HA 0.244 4.564 4.320 -0.000 0.000 0.200 20 K C 0.835 177.195 176.600 -0.401 0.000 1.048 20 K CA 0.647 56.673 56.287 -0.434 0.000 0.966 20 K CB -0.035 32.132 32.500 -0.556 0.000 0.754 20 K HN 0.343 nan 8.250 nan 0.000 0.466 21 F N 2.929 122.832 119.950 -0.079 0.000 2.472 21 F HA 0.149 4.674 4.527 -0.003 0.000 0.364 21 F C 0.269 175.998 175.800 -0.118 0.000 1.090 21 F CA -1.039 56.905 58.000 -0.092 0.000 1.188 21 F CB 0.319 39.248 39.000 -0.119 0.000 1.105 21 F HN -0.030 nan 8.300 nan 0.000 0.536 22 N N 5.838 124.588 118.700 0.082 0.000 2.767 22 N HA 0.238 4.977 4.740 -0.000 0.000 0.238 22 N C -0.547 174.975 175.510 0.020 0.000 1.083 22 N CA -0.194 52.861 53.050 0.009 0.000 0.964 22 N CB 0.732 39.217 38.487 -0.004 0.000 1.252 22 N HN 0.493 nan 8.380 nan 0.000 0.512 23 L N 0.988 122.211 121.223 0.000 0.000 2.416 23 L HA 0.072 4.412 4.340 -0.000 0.000 0.272 23 L C 1.824 178.673 176.870 -0.036 0.000 1.161 23 L CA -0.184 54.629 54.840 -0.045 0.000 0.845 23 L CB 0.674 42.695 42.059 -0.064 0.000 1.119 23 L HN 0.429 nan 8.230 nan 0.000 0.464 24 S N 0.608 116.272 115.700 -0.059 0.000 2.527 24 S HA 0.012 4.482 4.470 -0.000 0.000 0.222 24 S C 0.235 174.893 174.600 0.097 0.000 0.985 24 S CA 0.175 58.405 58.200 0.050 0.000 0.921 24 S CB -0.289 62.994 63.200 0.138 0.000 0.772 24 S HN 0.883 nan 8.310 nan 0.000 0.529 25 H N -1.690 117.374 119.070 -0.009 0.000 2.948 25 H HA 0.639 5.195 4.556 -0.001 0.000 0.315 25 H C -0.282 174.948 175.328 -0.164 0.000 1.360 25 H CA -1.266 54.671 56.048 -0.184 0.000 1.125 25 H CB 0.552 30.062 29.762 -0.420 0.000 1.844 25 H HN -0.107 nan 8.280 nan 0.000 0.529 26 R N 0.409 120.839 120.500 -0.117 0.000 2.468 26 R HA 0.312 4.652 4.340 -0.000 0.000 0.280 26 R C -0.579 175.709 176.300 -0.020 0.000 0.963 26 R CA -0.128 55.906 56.100 -0.110 0.000 1.083 26 R CB 0.857 31.065 30.300 -0.152 0.000 1.200 26 R HN 0.257 nan 8.270 nan 0.000 0.541 27 V N 2.235 122.251 119.914 0.169 0.000 2.389 27 V HA 0.154 4.274 4.120 -0.000 0.000 0.264 27 V C 0.167 176.427 176.094 0.276 0.000 1.049 27 V CA -0.338 62.087 62.300 0.207 0.000 0.932 27 V CB 1.330 33.168 31.823 0.024 0.000 1.011 27 V HN -0.094 nan 8.190 nan 0.000 0.475 28 V N 6.162 126.196 119.914 0.199 0.000 2.547 28 V HA 0.396 4.516 4.120 -0.000 0.000 0.299 28 V C -0.094 176.076 176.094 0.127 0.000 1.040 28 V CA -0.824 61.507 62.300 0.051 0.000 0.913 28 V CB 1.893 33.598 31.823 -0.197 0.000 0.992 28 V HN 0.711 nan 8.190 nan 0.000 0.449 29 L N 5.020 126.165 121.223 -0.130 0.000 2.385 29 L HA 0.640 4.980 4.340 -0.000 0.000 0.281 29 L C 0.611 177.317 176.870 -0.273 0.000 1.106 29 L CA 0.339 54.947 54.840 -0.387 0.000 0.856 29 L CB 0.181 41.758 42.059 -0.804 0.000 1.186 29 L HN 0.802 nan 8.230 nan 0.000 0.453 30 A N 7.775 130.525 122.820 -0.115 0.000 2.386 30 A HA 0.552 4.871 4.320 -0.000 0.000 0.248 30 A C -2.302 175.200 177.584 -0.136 0.000 1.082 30 A CA -1.121 50.859 52.037 -0.095 0.000 0.789 30 A CB -0.584 18.387 19.000 -0.048 0.000 1.025 30 A HN 0.700 nan 8.150 nan 0.000 0.490 31 P HA 0.229 nan 4.420 nan 0.000 0.271 31 P C -0.971 176.227 177.300 -0.170 0.000 1.226 31 P CA 0.633 63.636 63.100 -0.160 0.000 0.765 31 P CB 0.437 31.988 31.700 -0.247 0.000 0.835 32 M N 1.971 121.515 119.600 -0.094 0.000 2.165 32 M HA 0.190 4.670 4.480 -0.000 0.000 0.283 32 M C -0.040 176.218 176.300 -0.070 0.000 0.978 32 M CA -0.343 54.885 55.300 -0.121 0.000 0.948 32 M CB 2.251 34.773 32.600 -0.131 0.000 1.599 32 M HN 0.098 nan 8.290 nan 0.000 0.450 33 T N 3.453 117.926 114.554 -0.133 0.000 2.902 33 T HA 0.165 4.515 4.350 -0.000 0.000 0.301 33 T C 0.995 175.747 174.700 0.087 0.000 1.012 33 T CA 0.146 62.201 62.100 -0.076 0.000 1.151 33 T CB 0.463 69.130 68.868 -0.335 0.000 0.946 33 T HN 0.541 nan 8.240 nan 0.000 0.542 34 R N 0.828 121.379 120.500 0.085 0.000 2.556 34 R HA 0.214 4.554 4.340 -0.000 0.000 0.276 34 R C 0.730 177.074 176.300 0.074 0.000 0.931 34 R CA -0.086 56.058 56.100 0.072 0.000 1.061 34 R CB -0.792 29.459 30.300 -0.083 0.000 1.432 34 R HN 0.827 nan 8.270 nan 0.000 0.547 35 C N 1.538 120.893 119.300 0.091 0.000 4.497 35 C HA -0.111 4.349 4.460 -0.000 0.000 0.292 35 C C 1.146 176.137 174.990 0.001 0.000 1.366 35 C CA 0.623 59.720 59.018 0.131 0.000 1.987 35 C CB -1.887 26.015 27.740 0.270 0.000 1.241 35 C HN 0.382 nan 8.230 nan 0.000 0.788 36 R N 0.335 120.732 120.500 -0.172 0.000 2.362 36 R HA 0.435 4.775 4.340 -0.000 0.000 0.227 36 R C 1.042 177.245 176.300 -0.161 0.000 0.905 36 R CA 0.894 56.818 56.100 -0.295 0.000 1.067 36 R CB 0.265 30.139 30.300 -0.709 0.000 1.078 36 R HN 0.623 nan 8.270 nan 0.000 0.516 37 A N 1.591 124.378 122.820 -0.055 0.000 3.004 37 A HA 0.252 4.572 4.320 -0.000 0.000 0.286 37 A C -0.189 177.415 177.584 0.033 0.000 1.632 37 A CA -0.433 51.578 52.037 -0.044 0.000 1.339 37 A CB -0.666 18.313 19.000 -0.034 0.000 1.136 37 A HN 0.203 nan 8.150 nan 0.000 0.577 38 L N 1.378 122.577 121.223 -0.041 0.000 2.640 38 L HA -0.078 4.261 4.340 -0.000 0.000 0.280 38 L C 0.409 177.353 176.870 0.123 0.000 1.229 38 L CA 0.009 54.824 54.840 -0.042 0.000 0.919 38 L CB -0.318 41.637 42.059 -0.172 0.000 1.168 38 L HN 0.712 nan 8.230 nan 0.000 0.496 39 N N 3.203 122.134 118.700 0.385 0.000 2.721 39 N HA -0.244 4.496 4.740 -0.000 0.000 0.249 39 N C 0.172 175.751 175.510 0.114 0.000 1.072 39 N CA 1.131 54.313 53.050 0.221 0.000 0.710 39 N CB -1.080 37.484 38.487 0.128 0.000 0.993 39 N HN 0.825 nan 8.380 nan 0.000 0.547 40 N N -2.596 116.175 118.700 0.119 0.000 2.800 40 N HA -0.206 4.534 4.740 -0.000 0.000 0.250 40 N C -0.706 174.796 175.510 -0.014 0.000 1.078 40 N CA 1.056 54.146 53.050 0.067 0.000 0.804 40 N CB -1.001 37.543 38.487 0.094 0.000 1.135 40 N HN 0.424 nan 8.380 nan 0.000 0.565 41 I N 0.861 121.406 120.570 -0.042 0.000 2.354 41 I HA 0.331 4.501 4.170 -0.000 0.000 0.292 41 I C -2.067 173.935 176.117 -0.191 0.000 0.989 41 I CA -2.358 58.870 61.300 -0.119 0.000 1.188 41 I CB 0.976 38.922 38.000 -0.090 0.000 1.342 41 I HN -0.329 nan 8.210 nan 0.000 0.457 42 P HA 0.040 nan 4.420 nan 0.000 0.264 42 P C -0.433 176.707 177.300 -0.266 0.000 1.183 42 P CA 0.131 62.929 63.100 -0.502 0.000 0.763 42 P CB 0.550 31.646 31.700 -1.007 0.000 0.807 43 Q N 1.682 121.377 119.800 -0.176 0.000 2.297 43 Q HA 0.439 4.778 4.340 -0.000 0.000 0.269 43 Q C 1.274 177.251 176.000 -0.039 0.000 1.051 43 Q CA -0.771 54.977 55.803 -0.092 0.000 0.869 43 Q CB 1.243 29.935 28.738 -0.075 0.000 1.346 43 Q HN 0.374 nan 8.270 nan 0.000 0.457 44 A N 0.940 123.754 122.820 -0.011 0.000 1.978 44 A HA -0.185 4.134 4.320 -0.000 0.000 0.220 44 A C 1.909 179.538 177.584 0.075 0.000 1.170 44 A CA 2.221 54.274 52.037 0.027 0.000 0.636 44 A CB -0.694 18.320 19.000 0.024 0.000 0.810 44 A HN 0.780 nan 8.150 nan 0.000 0.448 45 A N -0.579 122.293 122.820 0.088 0.000 1.940 45 A HA -0.064 4.256 4.320 -0.000 0.000 0.219 45 A C 1.990 179.744 177.584 0.282 0.000 1.176 45 A CA 1.750 53.899 52.037 0.188 0.000 0.631 45 A CB -0.509 18.600 19.000 0.181 0.000 0.814 45 A HN 0.423 nan 8.150 nan 0.000 0.446 46 L N -0.206 121.151 121.223 0.222 0.000 2.083 46 L HA -0.061 4.279 4.340 -0.000 0.000 0.209 46 L C 2.752 179.810 176.870 0.314 0.000 1.083 46 L CA 1.777 56.777 54.840 0.268 0.000 0.752 46 L CB -1.083 41.108 42.059 0.220 0.000 0.899 46 L HN 0.401 nan 8.230 nan 0.000 0.433 47 G N -1.183 107.752 108.800 0.225 0.000 2.446 47 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.217 47 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.217 47 G C 1.560 176.564 174.900 0.173 0.000 1.168 47 G CA 0.852 46.075 45.100 0.205 0.000 0.771 47 G HN 0.467 nan 8.290 nan 0.000 0.551 48 E N -0.768 119.514 120.200 0.137 0.000 2.077 48 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 48 E C 2.077 178.719 176.600 0.070 0.000 0.989 48 E CA 0.952 57.414 56.400 0.104 0.000 0.800 48 E CB -0.316 29.445 29.700 0.102 0.000 0.746 48 E HN 0.539 nan 8.360 nan 0.000 0.452 49 Y N -0.161 120.035 120.300 -0.173 0.000 2.145 49 Y HA -0.283 4.267 4.550 0.000 0.000 0.286 49 Y C 1.707 177.414 175.900 -0.322 0.000 1.145 49 Y CA 1.998 59.838 58.100 -0.434 0.000 1.148 49 Y CB -0.402 37.501 38.460 -0.929 0.000 0.981 49 Y HN 0.116 nan 8.280 nan 0.000 0.507 50 Y N 0.501 120.790 120.300 -0.019 0.000 2.314 50 Y HA -0.109 4.440 4.550 -0.000 0.000 0.293 50 Y C 2.624 178.466 175.900 -0.096 0.000 1.129 50 Y CA 1.529 59.555 58.100 -0.123 0.000 1.201 50 Y CB -0.636 37.857 38.460 0.054 0.000 0.999 50 Y HN 0.292 nan 8.280 nan 0.000 0.541 51 E N 0.253 120.524 120.200 0.118 0.000 2.106 51 E HA -0.244 4.106 4.350 -0.000 0.000 0.192 51 E C 1.861 178.512 176.600 0.085 0.000 0.984 51 E CA 1.137 57.594 56.400 0.094 0.000 0.806 51 E CB -0.017 29.738 29.700 0.093 0.000 0.750 51 E HN 0.564 nan 8.360 nan 0.000 0.458 52 Q N -0.172 119.668 119.800 0.067 0.000 2.135 52 Q HA -0.161 4.179 4.340 -0.000 0.000 0.204 52 Q C 2.136 178.214 176.000 0.129 0.000 0.981 52 Q CA 1.431 57.342 55.803 0.180 0.000 0.856 52 Q CB -0.014 28.787 28.738 0.106 0.000 0.902 52 Q HN 0.167 nan 8.270 nan 0.000 0.425 53 R N -0.117 120.354 120.500 -0.048 0.000 2.246 53 R HA 0.190 4.530 4.340 -0.000 0.000 0.199 53 R C 0.396 176.737 176.300 0.069 0.000 0.984 53 R CA 0.141 56.227 56.100 -0.024 0.000 1.015 53 R CB 0.285 30.351 30.300 -0.390 0.000 0.930 53 R HN 0.042 nan 8.270 nan 0.000 0.475 54 A N 1.419 124.277 122.820 0.063 0.000 2.462 54 A HA 0.260 4.580 4.320 -0.000 0.000 0.243 54 A C 0.290 177.964 177.584 0.149 0.000 1.076 54 A CA 0.263 52.359 52.037 0.097 0.000 0.773 54 A CB 0.184 19.236 19.000 0.086 0.000 1.010 54 A HN 0.288 nan 8.150 nan 0.000 0.493 55 T N -1.136 113.527 114.554 0.181 0.000 2.896 55 T HA 0.701 5.050 4.350 -0.000 0.000 0.297 55 T C -0.233 174.582 174.700 0.191 0.000 1.108 55 T CA -0.104 62.122 62.100 0.209 0.000 1.004 55 T CB 1.447 70.493 68.868 0.296 0.000 1.159 55 T HN 1.692 nan 8.240 nan 0.000 0.499 56 A N 0.604 123.524 122.820 0.166 0.000 2.484 56 A HA 0.559 4.879 4.320 -0.000 0.000 0.268 56 A C 1.619 179.285 177.584 0.138 0.000 1.114 56 A CA 0.388 52.505 52.037 0.133 0.000 0.780 56 A CB -1.485 17.580 19.000 0.109 0.000 1.061 56 A HN 2.460 nan 8.150 nan 0.000 0.505 57 G N 1.869 110.720 108.800 0.084 0.000 2.143 57 G HA2 0.013 3.973 3.960 -0.000 0.000 0.249 57 G HA3 0.013 3.973 3.960 -0.000 0.000 0.249 57 G C 0.683 175.517 174.900 -0.110 0.000 0.981 57 G CA 0.423 45.535 45.100 0.020 0.000 0.665 57 G HN 1.851 nan 8.290 nan 0.000 0.528 58 G N -0.682 108.095 108.800 -0.039 0.000 2.389 58 G HA2 0.649 4.609 3.960 -0.000 0.000 0.317 58 G HA3 0.649 4.609 3.960 -0.000 0.000 0.317 58 G C -0.744 174.172 174.900 0.026 0.000 1.137 58 G CA -0.776 44.247 45.100 -0.130 0.000 0.870 58 G HN 0.675 nan 8.290 nan 0.000 0.496 59 F N 1.894 121.722 119.950 -0.203 0.000 2.420 59 F HA 0.696 5.222 4.527 -0.000 0.000 0.342 59 F C -0.598 175.093 175.800 -0.181 0.000 1.113 59 F CA -1.815 56.046 58.000 -0.232 0.000 1.059 59 F CB 1.173 39.971 39.000 -0.337 0.000 1.128 59 F HN 0.193 nan 8.300 nan 0.000 0.475 60 L N 7.216 128.161 121.223 -0.464 0.000 2.362 60 L HA 0.586 4.926 4.340 -0.000 0.000 0.271 60 L C -0.890 175.547 176.870 -0.722 0.000 1.002 60 L CA -0.883 53.634 54.840 -0.539 0.000 0.818 60 L CB 2.352 44.261 42.059 -0.250 0.000 1.298 60 L HN 0.473 nan 8.230 nan 0.000 0.420 61 I N 1.130 121.343 120.570 -0.595 0.000 2.465 61 I HA 0.301 4.471 4.170 -0.000 0.000 0.291 61 I C 0.543 176.545 176.117 -0.193 0.000 1.014 61 I CA -0.486 60.572 61.300 -0.403 0.000 1.093 61 I CB 2.334 40.100 38.000 -0.391 0.000 1.267 61 I HN 0.653 nan 8.210 nan 0.000 0.431 62 T N 1.977 116.428 114.554 -0.170 0.000 2.813 62 T HA 0.215 4.565 4.350 -0.000 0.000 0.297 62 T C 0.291 175.020 174.700 0.049 0.000 1.036 62 T CA -0.814 61.265 62.100 -0.035 0.000 1.044 62 T CB 0.703 69.487 68.868 -0.139 0.000 0.993 62 T HN 0.668 nan 8.240 nan 0.000 0.535 63 E N 0.694 121.039 120.200 0.240 0.000 2.458 63 E HA 0.176 4.526 4.350 -0.000 0.000 0.264 63 E C 0.724 177.355 176.600 0.052 0.000 1.097 63 E CA -0.542 55.928 56.400 0.117 0.000 0.973 63 E CB -0.180 29.656 29.700 0.227 0.000 0.963 63 E HN 0.902 nan 8.360 nan 0.000 0.451 64 G N 1.448 110.185 108.800 -0.104 0.000 2.321 64 G HA2 0.154 4.114 3.960 -0.000 0.000 0.237 64 G HA3 0.154 4.114 3.960 -0.000 0.000 0.237 64 G C -0.599 174.517 174.900 0.359 0.000 1.282 64 G CA -0.112 44.993 45.100 0.010 0.000 0.886 64 G HN 0.447 nan 8.290 nan 0.000 0.528 65 T N 3.596 118.340 114.554 0.317 0.000 2.824 65 T HA 0.395 4.745 4.350 -0.000 0.000 0.282 65 T C 0.589 175.440 174.700 0.252 0.000 0.993 65 T CA -0.416 61.865 62.100 0.301 0.000 0.967 65 T CB 1.290 70.267 68.868 0.182 0.000 0.960 65 T HN 0.469 nan 8.240 nan 0.000 0.441 66 M N 3.254 122.998 119.600 0.240 0.000 2.248 66 M HA 0.201 4.681 4.480 -0.000 0.000 0.345 66 M C 1.349 177.762 176.300 0.187 0.000 1.243 66 M CA 0.323 55.709 55.300 0.143 0.000 1.090 66 M CB 0.326 33.067 32.600 0.235 0.000 1.683 66 M HN 0.684 nan 8.290 nan 0.000 0.450 67 I N -1.093 119.445 120.570 -0.054 0.000 4.018 67 I HA 0.305 4.475 4.170 -0.000 0.000 0.337 67 I C 0.213 176.170 176.117 -0.266 0.000 1.327 67 I CA -0.187 61.057 61.300 -0.093 0.000 1.100 67 I CB 0.142 37.943 38.000 -0.331 0.000 1.025 67 I HN 0.671 nan 8.210 nan 0.000 0.396 68 S N -0.737 114.579 115.700 -0.639 0.000 2.643 68 S HA 0.422 4.892 4.470 -0.000 0.000 0.266 68 S C -2.690 171.213 174.600 -1.162 0.000 1.130 68 S CA -0.715 56.859 58.200 -1.043 0.000 0.817 68 S CB 1.090 64.014 63.200 -0.459 0.000 1.107 68 S HN -0.214 nan 8.310 nan 0.000 0.471 69 P HA 0.038 nan 4.420 nan 0.000 0.225 69 P C 1.147 178.284 177.300 -0.272 0.000 1.148 69 P CA 1.661 64.488 63.100 -0.454 0.000 0.779 69 P CB -0.207 31.359 31.700 -0.224 0.000 0.780 70 T N -5.339 109.043 114.554 -0.287 0.000 3.092 70 T HA 0.098 4.448 4.350 -0.000 0.000 0.258 70 T C 1.411 175.853 174.700 -0.430 0.000 1.031 70 T CA 0.293 62.269 62.100 -0.206 0.000 0.925 70 T CB -0.732 68.102 68.868 -0.057 0.000 1.036 70 T HN 0.061 nan 8.240 nan 0.000 0.544 71 S N 0.630 115.933 115.700 -0.662 0.000 2.558 71 S HA 0.544 5.014 4.470 -0.000 0.000 0.217 71 S C 0.962 175.090 174.600 -0.787 0.000 0.975 71 S CA -0.257 57.261 58.200 -1.137 0.000 0.912 71 S CB -0.218 62.460 63.200 -0.870 0.000 0.776 71 S HN 0.742 nan 8.310 nan 0.000 0.526 72 A N 0.361 122.873 122.820 -0.513 0.000 2.303 72 A HA 0.741 5.061 4.320 -0.000 0.000 0.317 72 A C 0.790 178.080 177.584 -0.492 0.000 1.149 72 A CA -0.304 51.424 52.037 -0.515 0.000 0.822 72 A CB 0.881 19.672 19.000 -0.349 0.000 1.131 72 A HN 0.579 nan 8.150 nan 0.000 0.493 73 G N -0.039 108.389 108.800 -0.620 0.000 4.165 73 G HA2 0.480 4.440 3.960 -0.000 0.000 0.287 73 G HA3 0.480 4.440 3.960 -0.000 0.000 0.287 73 G C -0.570 173.861 174.900 -0.782 0.000 1.019 73 G CA 0.039 44.819 45.100 -0.533 0.000 0.806 73 G HN 0.378 nan 8.290 nan 0.000 0.447 74 F N 0.770 120.134 119.950 -0.977 0.000 2.613 74 F HA 0.588 5.116 4.527 0.000 0.000 0.314 74 F C -2.246 173.136 175.800 -0.696 0.000 1.075 74 F CA -2.249 55.355 58.000 -0.660 0.000 0.945 74 F CB 3.214 42.056 39.000 -0.264 0.000 1.310 74 F HN -0.198 nan 8.300 nan 0.000 0.467 75 P HA 0.179 nan 4.420 nan 0.000 0.288 75 P C -0.954 176.307 177.300 -0.064 0.000 1.267 75 P CA 0.088 63.131 63.100 -0.095 0.000 0.815 75 P CB 0.806 32.523 31.700 0.028 0.000 0.989 76 H N -1.449 117.680 119.070 0.098 0.000 2.713 76 H HA -0.110 4.446 4.556 -0.001 0.000 0.311 76 H C 0.208 175.569 175.328 0.056 0.000 1.175 76 H CA 0.559 56.643 56.048 0.060 0.000 1.143 76 H CB -2.370 27.416 29.762 0.040 0.000 1.434 76 H HN 0.360 nan 8.280 nan 0.000 0.418 77 V N -1.074 118.907 119.914 0.112 0.000 2.567 77 V HA 0.596 4.716 4.120 -0.000 0.000 0.289 77 V C -1.740 174.444 176.094 0.150 0.000 1.049 77 V CA -1.927 60.458 62.300 0.143 0.000 0.969 77 V CB 2.310 34.220 31.823 0.145 0.000 0.995 77 V HN -0.026 nan 8.190 nan 0.000 0.471 78 P HA 0.396 nan 4.420 nan 0.000 0.274 78 P C 0.012 177.488 177.300 0.292 0.000 1.231 78 P CA 0.327 63.540 63.100 0.189 0.000 0.790 78 P CB 1.404 33.229 31.700 0.209 0.000 0.951 79 G N 0.383 109.326 108.800 0.238 0.000 2.568 79 G HA2 0.594 4.553 3.960 -0.000 0.000 0.313 79 G HA3 0.594 4.553 3.960 -0.000 0.000 0.313 79 G C -0.769 174.316 174.900 0.309 0.000 1.227 79 G CA -0.790 44.474 45.100 0.274 0.000 0.979 79 G HN 0.554 nan 8.290 nan 0.000 0.486 80 I N 0.534 121.260 120.570 0.260 0.000 3.336 80 I HA 0.273 4.443 4.170 -0.000 0.000 0.323 80 I C 0.346 176.551 176.117 0.146 0.000 1.520 80 I CA -0.536 60.889 61.300 0.209 0.000 0.959 80 I CB 0.036 38.103 38.000 0.111 0.000 1.463 80 I HN 0.476 nan 8.210 nan 0.000 0.571 81 F N 0.011 120.013 119.950 0.086 0.000 2.695 81 F HA 0.451 4.978 4.527 -0.000 0.000 0.303 81 F C 0.675 176.506 175.800 0.053 0.000 1.091 81 F CA -0.213 57.814 58.000 0.045 0.000 1.300 81 F CB -0.586 38.421 39.000 0.011 0.000 1.071 81 F HN 0.034 nan 8.300 nan 0.000 0.578 82 T N -2.890 111.493 114.554 -0.285 0.000 2.907 82 T HA 0.376 4.726 4.350 -0.000 0.000 0.292 82 T C 0.644 175.307 174.700 -0.062 0.000 1.043 82 T CA -0.864 61.139 62.100 -0.162 0.000 1.003 82 T CB 2.242 70.943 68.868 -0.277 0.000 1.084 82 T HN -0.131 nan 8.240 nan 0.000 0.483 83 K N 0.882 121.274 120.400 -0.014 0.000 2.211 83 K HA -0.047 4.272 4.320 -0.000 0.000 0.203 83 K C 1.915 178.518 176.600 0.005 0.000 1.050 83 K CA 1.257 57.552 56.287 0.013 0.000 0.945 83 K CB -0.324 32.188 32.500 0.020 0.000 0.732 83 K HN 0.906 nan 8.250 nan 0.000 0.451 84 E N 1.272 121.457 120.200 -0.026 0.000 2.077 84 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 84 E C 1.829 178.409 176.600 -0.033 0.000 0.989 84 E CA 1.137 57.518 56.400 -0.031 0.000 0.800 84 E CB 0.151 29.821 29.700 -0.049 0.000 0.746 84 E HN 0.332 nan 8.360 nan 0.000 0.452 85 Q N -0.071 119.696 119.800 -0.055 0.000 2.079 85 Q HA -0.131 4.208 4.340 -0.000 0.000 0.200 85 Q C 2.357 178.450 176.000 0.154 0.000 0.974 85 Q CA 1.622 57.414 55.803 -0.017 0.000 0.840 85 Q CB 0.056 28.761 28.738 -0.055 0.000 0.898 85 Q HN 0.193 nan 8.270 nan 0.000 0.430 86 V N 1.130 121.146 119.914 0.169 0.000 2.332 86 V HA -0.311 3.809 4.120 -0.000 0.000 0.248 86 V C 2.181 178.377 176.094 0.170 0.000 1.055 86 V CA 1.946 64.379 62.300 0.222 0.000 1.038 86 V CB -0.530 31.373 31.823 0.133 0.000 0.651 86 V HN 0.321 nan 8.190 nan 0.000 0.450 87 R N -0.356 120.197 120.500 0.088 0.000 2.096 87 R HA -0.135 4.205 4.340 -0.000 0.000 0.235 87 R C 2.272 178.601 176.300 0.048 0.000 1.127 87 R CA 1.255 57.389 56.100 0.057 0.000 0.968 87 R CB -0.240 30.076 30.300 0.027 0.000 0.861 87 R HN 0.523 nan 8.270 nan 0.000 0.440 88 E N -0.424 119.788 120.200 0.021 0.000 2.158 88 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 88 E C 1.703 178.301 176.600 -0.002 0.000 0.982 88 E CA 0.824 57.201 56.400 -0.040 0.000 0.823 88 E CB -0.204 29.413 29.700 -0.138 0.000 0.766 88 E HN 0.435 nan 8.360 nan 0.000 0.468 89 W N 1.903 123.218 121.300 0.024 0.000 2.374 89 W HA -0.098 4.562 4.660 -0.001 0.000 0.288 89 W C 2.343 178.795 176.519 -0.111 0.000 1.218 89 W CA 0.697 58.053 57.345 0.019 0.000 1.245 89 W CB 0.065 29.608 29.460 0.139 0.000 1.126 89 W HN 0.044 nan 8.180 nan 0.000 0.545 90 K N 0.546 121.041 120.400 0.159 0.000 2.074 90 K HA -0.228 4.092 4.320 -0.000 0.000 0.209 90 K C 1.758 178.356 176.600 -0.003 0.000 1.048 90 K CA 1.706 58.007 56.287 0.023 0.000 0.926 90 K CB -0.292 32.230 32.500 0.036 0.000 0.713 90 K HN 0.179 nan 8.250 nan 0.000 0.444 91 K N 0.394 120.809 120.400 0.026 0.000 2.147 91 K HA -0.098 4.222 4.320 -0.000 0.000 0.205 91 K C 2.082 178.695 176.600 0.021 0.000 1.049 91 K CA 1.139 57.437 56.287 0.018 0.000 0.936 91 K CB -0.102 32.409 32.500 0.019 0.000 0.722 91 K HN 0.131 nan 8.250 nan 0.000 0.446 92 I N 0.403 121.002 120.570 0.049 0.000 2.286 92 I HA -0.222 3.948 4.170 -0.000 0.000 0.245 92 I C 2.166 178.258 176.117 -0.043 0.000 1.104 92 I CA 0.776 62.127 61.300 0.086 0.000 1.397 92 I CB -0.165 37.979 38.000 0.239 0.000 1.072 92 I HN -0.120 nan 8.210 nan 0.000 0.417 93 V N 0.857 120.656 119.914 -0.192 0.000 2.407 93 V HA -0.291 3.829 4.120 -0.000 0.000 0.248 93 V C 2.045 177.927 176.094 -0.353 0.000 1.055 93 V CA 1.937 63.955 62.300 -0.470 0.000 1.049 93 V CB -0.679 30.731 31.823 -0.688 0.000 0.662 93 V HN 0.404 nan 8.190 nan 0.000 0.455 94 D N 0.017 120.332 120.400 -0.142 0.000 2.097 94 D HA -0.126 4.514 4.640 -0.000 0.000 0.195 94 D C 2.182 178.487 176.300 0.009 0.000 0.989 94 D CA 1.265 55.250 54.000 -0.025 0.000 0.827 94 D CB -0.369 40.436 40.800 0.009 0.000 0.966 94 D HN 0.318 nan 8.370 nan 0.000 0.456 95 V N 0.684 120.600 119.914 0.004 0.000 2.407 95 V HA -0.176 3.944 4.120 -0.000 0.000 0.248 95 V C 2.581 178.698 176.094 0.038 0.000 1.055 95 V CA 0.911 63.231 62.300 0.034 0.000 1.049 95 V CB -0.245 31.608 31.823 0.050 0.000 0.662 95 V HN 0.054 nan 8.190 nan 0.000 0.455 96 V N -0.815 119.095 119.914 -0.007 0.000 2.379 96 V HA -0.206 3.914 4.120 -0.000 0.000 0.245 96 V C 2.417 178.553 176.094 0.069 0.000 1.044 96 V CA 1.776 64.076 62.300 -0.000 0.000 1.036 96 V CB -0.787 30.981 31.823 -0.092 0.000 0.664 96 V HN 0.573 nan 8.190 nan 0.000 0.453 97 H N 0.300 119.376 119.070 0.009 0.000 2.457 97 H HA 0.051 4.609 4.556 0.004 0.000 0.294 97 H C 2.275 177.620 175.328 0.027 0.000 1.064 97 H CA 1.181 57.239 56.048 0.016 0.000 1.330 97 H CB -0.471 29.294 29.762 0.005 0.000 1.395 97 H HN 0.437 nan 8.280 nan 0.000 0.541 98 A N 0.838 123.747 122.820 0.149 0.000 2.067 98 A HA -0.092 4.227 4.320 -0.000 0.000 0.219 98 A C 2.024 179.657 177.584 0.082 0.000 1.158 98 A CA 0.995 53.089 52.037 0.094 0.000 0.661 98 A CB -0.029 19.012 19.000 0.069 0.000 0.801 98 A HN 0.116 nan 8.150 nan 0.000 0.452 99 K N -1.258 119.198 120.400 0.092 0.000 2.404 99 K HA 0.162 4.482 4.320 -0.000 0.000 0.194 99 K C 1.033 177.690 176.600 0.096 0.000 1.023 99 K CA 0.699 57.038 56.287 0.086 0.000 1.094 99 K CB 0.074 32.628 32.500 0.089 0.000 0.841 99 K HN 0.714 nan 8.250 nan 0.000 0.523 100 G N 1.290 110.153 108.800 0.105 0.000 2.136 100 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.242 100 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.242 100 G C 0.226 175.192 174.900 0.110 0.000 0.989 100 G CA 0.316 45.474 45.100 0.096 0.000 0.682 100 G HN 0.505 nan 8.290 nan 0.000 0.522 101 A N -0.948 121.958 122.820 0.143 0.000 2.269 101 A HA 0.881 5.201 4.320 -0.000 0.000 0.319 101 A C 0.244 177.936 177.584 0.180 0.000 1.110 101 A CA -0.116 52.001 52.037 0.133 0.000 0.847 101 A CB 1.636 20.703 19.000 0.112 0.000 1.161 101 A HN 1.131 nan 8.150 nan 0.000 0.497 102 V N 1.350 121.332 119.914 0.113 0.000 2.483 102 V HA 0.553 4.673 4.120 -0.000 0.000 0.295 102 V C -0.260 175.971 176.094 0.229 0.000 1.035 102 V CA -0.289 62.057 62.300 0.076 0.000 0.896 102 V CB 1.289 32.929 31.823 -0.306 0.000 0.986 102 V HN 0.745 nan 8.190 nan 0.000 0.447 103 I N 4.182 124.931 120.570 0.298 0.000 2.569 103 I HA 0.564 4.733 4.170 -0.000 0.000 0.290 103 I C -1.556 174.941 176.117 0.633 0.000 1.088 103 I CA -0.433 61.046 61.300 0.298 0.000 1.047 103 I CB 1.792 39.827 38.000 0.059 0.000 1.237 103 I HN 0.514 nan 8.210 nan 0.000 0.421 104 F N 6.014 126.074 119.950 0.183 0.000 2.492 104 F HA 0.454 4.979 4.527 -0.003 0.000 0.327 104 F C -0.056 175.557 175.800 -0.311 0.000 1.079 104 F CA -0.992 57.056 58.000 0.080 0.000 0.967 104 F CB 1.797 40.933 39.000 0.225 0.000 1.169 104 F HN 0.395 nan 8.300 nan 0.000 0.472 105 C N 4.064 122.983 119.300 -0.635 0.000 2.285 105 C HA 0.279 4.739 4.460 -0.000 0.000 0.335 105 C C 0.032 174.756 174.990 -0.444 0.000 1.267 105 C CA -0.421 57.982 59.018 -1.026 0.000 1.762 105 C CB 0.218 26.758 27.740 -2.000 0.000 2.365 105 C HN 0.819 nan 8.230 nan 0.000 0.527 106 Q N 5.116 124.750 119.800 -0.276 0.000 2.295 106 Q HA 0.404 4.744 4.340 -0.000 0.000 0.259 106 Q C -0.987 174.991 176.000 -0.035 0.000 0.976 106 Q CA -0.122 55.615 55.803 -0.109 0.000 0.923 106 Q CB 0.636 29.308 28.738 -0.111 0.000 1.185 106 Q HN 0.802 nan 8.270 nan 0.000 0.410 107 L N 4.898 126.154 121.223 0.054 0.000 2.265 107 L HA 0.354 4.693 4.340 -0.000 0.000 0.288 107 L C -0.744 176.334 176.870 0.346 0.000 1.058 107 L CA -0.533 54.402 54.840 0.159 0.000 0.809 107 L CB 0.393 42.572 42.059 0.200 0.000 1.179 107 L HN 0.651 nan 8.230 nan 0.000 0.429 108 W N 5.047 126.379 121.300 0.054 0.000 2.619 108 W HA 0.339 4.999 4.660 -0.000 0.000 0.327 108 W C -1.019 175.469 176.519 -0.052 0.000 1.027 108 W CA -0.676 56.690 57.345 0.034 0.000 1.233 108 W CB 0.817 30.272 29.460 -0.009 0.000 1.370 108 W HN 0.371 nan 8.180 nan 0.000 0.453 109 H N 5.653 124.766 119.070 0.072 0.000 2.539 109 H HA 0.303 4.859 4.556 -0.001 0.000 0.332 109 H C 0.836 176.035 175.328 -0.215 0.000 1.031 109 H CA 0.033 55.974 56.048 -0.178 0.000 1.206 109 H CB 1.957 31.680 29.762 -0.064 0.000 1.446 109 H HN 0.430 nan 8.280 nan 0.000 0.496 110 V N 2.686 122.395 119.914 -0.341 0.000 3.041 110 V HA 0.204 4.324 4.120 -0.000 0.000 0.260 110 V C 1.430 177.687 176.094 0.272 0.000 1.105 110 V CA 0.971 63.217 62.300 -0.090 0.000 1.125 110 V CB -0.913 30.708 31.823 -0.337 0.000 0.730 110 V HN 0.983 nan 8.190 nan 0.000 0.479 111 G N 2.609 111.661 108.800 0.419 0.000 2.622 111 G HA2 -0.451 3.509 3.960 -0.000 0.000 0.307 111 G HA3 -0.451 3.509 3.960 -0.000 0.000 0.307 111 G C 1.012 175.978 174.900 0.110 0.000 1.226 111 G CA 1.315 46.543 45.100 0.213 0.000 0.997 111 G HN 0.965 nan 8.290 nan 0.000 0.551 112 R N 0.895 121.407 120.500 0.020 0.000 2.285 112 R HA 0.414 4.754 4.340 -0.000 0.000 0.213 112 R C 1.743 178.039 176.300 -0.006 0.000 1.068 112 R CA 1.512 57.601 56.100 -0.018 0.000 1.004 112 R CB -0.218 30.027 30.300 -0.092 0.000 0.873 112 R HN 1.270 nan 8.270 nan 0.000 0.467 113 A N 1.296 124.120 122.820 0.006 0.000 3.077 113 A HA 0.288 4.608 4.320 -0.000 0.000 0.255 113 A C -0.172 177.590 177.584 0.296 0.000 1.728 113 A CA -0.247 51.813 52.037 0.038 0.000 1.383 113 A CB -0.130 18.930 19.000 0.100 0.000 1.097 113 A HN 0.390 nan 8.150 nan 0.000 0.634 114 S N -0.481 115.415 115.700 0.327 0.000 2.880 114 S HA 0.705 5.175 4.470 -0.000 0.000 0.308 114 S C -1.320 173.487 174.600 0.346 0.000 1.195 114 S CA -0.494 57.873 58.200 0.277 0.000 0.866 114 S CB 1.315 64.593 63.200 0.129 0.000 1.254 114 S HN 0.769 nan 8.310 nan 0.000 0.571 115 H N 0.185 119.372 119.070 0.195 0.000 3.037 115 H HA 0.310 4.865 4.556 -0.000 0.000 0.355 115 H C 0.365 175.695 175.328 0.003 0.000 1.263 115 H CA -0.261 55.825 56.048 0.062 0.000 1.129 115 H CB 1.718 31.466 29.762 -0.024 0.000 1.861 115 H HN 0.811 nan 8.280 nan 0.000 0.546 116 E N 1.930 122.016 120.200 -0.190 0.000 2.171 116 E HA -0.131 4.218 4.350 -0.000 0.000 0.197 116 E C 1.740 178.365 176.600 0.042 0.000 0.997 116 E CA 1.143 57.505 56.400 -0.063 0.000 0.810 116 E CB -0.521 29.088 29.700 -0.152 0.000 0.738 116 E HN 0.243 nan 8.360 nan 0.000 0.467 117 V N 0.274 120.290 119.914 0.170 0.000 2.720 117 V HA -0.223 3.896 4.120 -0.000 0.000 0.256 117 V C 1.186 177.101 176.094 -0.299 0.000 1.082 117 V CA 1.430 63.629 62.300 -0.168 0.000 1.101 117 V CB -0.572 30.983 31.823 -0.448 0.000 0.693 117 V HN 0.278 nan 8.190 nan 0.000 0.479 118 Y N -1.267 119.050 120.300 0.028 0.000 2.458 118 Y HA 0.320 4.870 4.550 0.000 0.000 0.256 118 Y C 1.151 177.025 175.900 -0.043 0.000 1.159 118 Y CA -0.498 57.581 58.100 -0.035 0.000 1.261 118 Y CB 0.542 38.967 38.460 -0.059 0.000 1.119 118 Y HN 0.251 nan 8.280 nan 0.000 0.524 119 Q N 0.800 120.650 119.800 0.084 0.000 2.266 119 Q HA 0.334 4.674 4.340 -0.000 0.000 0.261 119 Q C -2.639 173.368 176.000 0.010 0.000 0.985 119 Q CA -2.523 53.299 55.803 0.032 0.000 0.873 119 Q CB 1.254 30.002 28.738 0.017 0.000 1.306 119 Q HN -0.003 nan 8.270 nan 0.000 0.447 120 P HA 0.034 nan 4.420 nan 0.000 0.267 120 P C -0.242 177.056 177.300 -0.003 0.000 1.205 120 P CA 0.627 63.727 63.100 0.000 0.000 0.765 120 P CB 0.489 32.184 31.700 -0.007 0.000 0.828 121 A N 3.821 126.640 122.820 -0.002 0.000 2.816 121 A HA -0.082 4.238 4.320 -0.000 0.000 0.270 121 A C 1.437 179.014 177.584 -0.012 0.000 1.413 121 A CA 1.185 53.218 52.037 -0.005 0.000 0.866 121 A CB -2.444 16.553 19.000 -0.004 0.000 1.032 121 A HN 1.099 nan 8.150 nan 0.000 0.642 122 G N -2.547 106.245 108.800 -0.013 0.000 2.249 122 G HA2 0.135 4.095 3.960 -0.000 0.000 0.273 122 G HA3 0.135 4.095 3.960 -0.000 0.000 0.273 122 G C 0.887 175.769 174.900 -0.030 0.000 1.036 122 G CA 1.224 46.311 45.100 -0.023 0.000 0.824 122 G HN 2.524 nan 8.290 nan 0.000 0.504 123 A N -0.401 122.406 122.820 -0.021 0.000 2.386 123 A HA 0.822 5.142 4.320 -0.000 0.000 0.246 123 A C 1.122 178.689 177.584 -0.028 0.000 1.089 123 A CA 0.755 52.778 52.037 -0.023 0.000 0.790 123 A CB 0.383 19.374 19.000 -0.015 0.000 1.042 123 A HN 2.136 nan 8.150 nan 0.000 0.497 124 A N 1.506 124.308 122.820 -0.029 0.000 2.425 124 A HA 0.574 4.894 4.320 -0.000 0.000 0.249 124 A C -2.292 175.285 177.584 -0.012 0.000 1.084 124 A CA -1.163 50.855 52.037 -0.031 0.000 0.781 124 A CB -0.627 18.354 19.000 -0.033 0.000 1.019 124 A HN 0.618 nan 8.150 nan 0.000 0.490 125 P HA 0.263 nan 4.420 nan 0.000 0.270 125 P C -0.300 177.007 177.300 0.012 0.000 1.223 125 P CA -0.012 63.104 63.100 0.026 0.000 0.785 125 P CB 0.409 32.138 31.700 0.049 0.000 0.923 126 I N -1.875 118.714 120.570 0.031 0.000 2.664 126 I HA 0.795 4.965 4.170 -0.000 0.000 0.308 126 I C 0.081 176.171 176.117 -0.045 0.000 0.984 126 I CA -0.434 60.857 61.300 -0.015 0.000 1.213 126 I CB 1.898 39.883 38.000 -0.025 0.000 1.379 126 I HN 0.248 nan 8.210 nan 0.000 0.501 127 S N 1.342 116.980 115.700 -0.103 0.000 2.703 127 S HA 0.304 4.774 4.470 -0.000 0.000 0.273 127 S C 0.556 174.971 174.600 -0.308 0.000 1.178 127 S CA 0.027 58.122 58.200 -0.175 0.000 0.838 127 S CB 1.044 64.141 63.200 -0.170 0.000 1.178 127 S HN 0.919 nan 8.310 nan 0.000 0.494 128 S N 0.150 115.473 115.700 -0.629 0.000 2.461 128 S HA 0.211 4.681 4.470 -0.000 0.000 0.228 128 S C 0.856 175.163 174.600 -0.489 0.000 1.005 128 S CA 1.117 58.706 58.200 -1.018 0.000 0.942 128 S CB -0.238 61.902 63.200 -1.766 0.000 0.776 128 S HN 0.822 nan 8.310 nan 0.000 0.514 129 T N -0.044 114.307 114.554 -0.339 0.000 2.864 129 T HA 0.433 4.783 4.350 -0.000 0.000 0.289 129 T C -0.408 174.206 174.700 -0.144 0.000 1.082 129 T CA -0.612 61.362 62.100 -0.210 0.000 1.009 129 T CB 1.997 70.748 68.868 -0.195 0.000 1.234 129 T HN 0.143 nan 8.240 nan 0.000 0.526 130 E N 0.154 120.292 120.200 -0.102 0.000 2.472 130 E HA 0.159 4.509 4.350 -0.000 0.000 0.196 130 E C 0.196 176.758 176.600 -0.063 0.000 1.033 130 E CA -0.097 56.259 56.400 -0.073 0.000 0.886 130 E CB 0.437 30.104 29.700 -0.054 0.000 0.944 130 E HN 0.313 nan 8.360 nan 0.000 0.492 131 K N 2.829 123.185 120.400 -0.074 0.000 2.368 131 K HA 0.110 4.429 4.320 -0.000 0.000 0.282 131 K C -2.415 174.148 176.600 -0.061 0.000 1.035 131 K CA -1.698 54.553 56.287 -0.059 0.000 0.973 131 K CB 0.664 33.127 32.500 -0.063 0.000 0.957 131 K HN -0.147 nan 8.250 nan 0.000 0.474 132 P HA 0.167 nan 4.420 nan 0.000 0.282 132 P C -0.271 177.011 177.300 -0.029 0.000 1.259 132 P CA -0.431 62.657 63.100 -0.020 0.000 0.826 132 P CB 0.870 32.584 31.700 0.022 0.000 1.064 133 I N 1.027 121.556 120.570 -0.069 0.000 2.692 133 I HA -0.018 4.152 4.170 -0.000 0.000 0.284 133 I C 1.668 177.845 176.117 0.100 0.000 1.159 133 I CA 0.335 61.572 61.300 -0.106 0.000 1.423 133 I CB 0.395 38.142 38.000 -0.421 0.000 1.380 133 I HN 0.442 nan 8.210 nan 0.000 0.580 134 S N 3.976 119.787 115.700 0.185 0.000 2.634 134 S HA 0.060 4.530 4.470 -0.000 0.000 0.261 134 S C 0.796 175.551 174.600 0.258 0.000 1.271 134 S CA -0.398 57.924 58.200 0.203 0.000 0.985 134 S CB 0.408 63.714 63.200 0.177 0.000 0.968 134 S HN 0.805 nan 8.310 nan 0.000 0.568 135 N N -0.735 118.054 118.700 0.149 0.000 2.501 135 N HA 0.004 4.744 4.740 -0.000 0.000 0.195 135 N C 1.437 176.965 175.510 0.030 0.000 1.213 135 N CA 0.187 53.304 53.050 0.112 0.000 0.864 135 N CB -0.485 38.040 38.487 0.064 0.000 0.999 135 N HN 0.702 nan 8.380 nan 0.000 0.454 136 R N 0.200 120.676 120.500 -0.039 0.000 2.307 136 R HA 0.105 4.445 4.340 -0.000 0.000 0.199 136 R C -0.424 175.501 176.300 -0.625 0.000 1.000 136 R CA 0.589 56.468 56.100 -0.368 0.000 1.023 136 R CB -0.929 29.065 30.300 -0.510 0.000 0.908 136 R HN 0.428 nan 8.270 nan 0.000 0.473 137 W N -1.126 120.226 121.300 0.086 0.000 2.864 137 W HA 0.753 5.413 4.660 -0.000 0.000 0.343 137 W C 0.003 176.640 176.519 0.196 0.000 1.109 137 W CA -1.007 56.419 57.345 0.135 0.000 1.192 137 W CB 1.388 30.919 29.460 0.119 0.000 1.426 137 W HN -0.161 nan 8.180 nan 0.000 0.529 138 R N 1.587 122.307 120.500 0.367 0.000 2.854 138 R HA 0.645 4.985 4.340 -0.000 0.000 0.271 138 R C -1.272 174.974 176.300 -0.090 0.000 0.996 138 R CA -1.336 54.801 56.100 0.062 0.000 0.961 138 R CB 2.464 32.729 30.300 -0.058 0.000 1.182 138 R HN 0.737 nan 8.270 nan 0.000 0.479 139 I N 1.536 121.840 120.570 -0.443 0.000 2.562 139 I HA 0.285 4.455 4.170 -0.000 0.000 0.301 139 I C -0.776 175.209 176.117 -0.221 0.000 1.003 139 I CA -1.288 59.732 61.300 -0.467 0.000 1.127 139 I CB 1.693 39.243 38.000 -0.750 0.000 1.304 139 I HN 0.357 nan 8.210 nan 0.000 0.446 140 L N 8.028 129.083 121.223 -0.280 0.000 2.313 140 L HA 0.348 4.688 4.340 -0.000 0.000 0.282 140 L C -0.380 176.451 176.870 -0.064 0.000 1.092 140 L CA 0.212 54.984 54.840 -0.114 0.000 0.831 140 L CB 0.663 42.602 42.059 -0.201 0.000 1.159 140 L HN 0.533 nan 8.230 nan 0.000 0.442 141 M N 6.410 125.981 119.600 -0.048 0.000 2.283 141 M HA 0.342 4.821 4.480 -0.000 0.000 0.314 141 M C -1.346 174.935 176.300 -0.032 0.000 1.153 141 M CA -2.355 52.873 55.300 -0.121 0.000 1.084 141 M CB 0.378 32.847 32.600 -0.218 0.000 1.468 141 M HN 0.339 nan 8.290 nan 0.000 0.474 142 P HA -0.151 nan 4.420 nan 0.000 0.219 142 P C 0.339 177.649 177.300 0.016 0.000 1.146 142 P CA 1.263 64.358 63.100 -0.008 0.000 0.808 142 P CB 0.009 31.651 31.700 -0.096 0.000 0.779 143 D N -2.167 118.211 120.400 -0.036 0.000 2.328 143 D HA 0.110 4.750 4.640 -0.000 0.000 0.226 143 D C 1.387 177.677 176.300 -0.017 0.000 1.066 143 D CA 0.429 54.415 54.000 -0.023 0.000 0.861 143 D CB -0.903 39.867 40.800 -0.051 0.000 0.912 143 D HN 0.201 nan 8.370 nan 0.000 0.521 144 G N -0.045 108.754 108.800 -0.000 0.000 2.176 144 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.253 144 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.253 144 G C 0.559 175.409 174.900 -0.084 0.000 0.979 144 G CA 0.619 45.722 45.100 0.006 0.000 0.641 144 G HN 0.794 nan 8.290 nan 0.000 0.530 145 T N -1.574 112.902 114.554 -0.130 0.000 2.849 145 T HA 0.650 5.000 4.350 -0.000 0.000 0.276 145 T C -0.009 174.562 174.700 -0.216 0.000 0.971 145 T CA -0.525 61.422 62.100 -0.256 0.000 0.949 145 T CB 1.447 70.212 68.868 -0.172 0.000 1.093 145 T HN 0.283 nan 8.240 nan 0.000 0.545 146 H N -0.607 118.436 119.070 -0.044 0.000 2.458 146 H HA 0.657 5.213 4.556 -0.000 0.000 0.330 146 H C 0.646 175.913 175.328 -0.102 0.000 1.111 146 H CA -0.636 55.372 56.048 -0.066 0.000 1.245 146 H CB 1.112 30.860 29.762 -0.024 0.000 1.456 146 H HN 1.007 nan 8.280 nan 0.000 0.488 147 G N 1.573 110.351 108.800 -0.037 0.000 2.644 147 G HA2 0.472 4.431 3.960 -0.000 0.000 0.307 147 G HA3 0.472 4.431 3.960 -0.000 0.000 0.307 147 G C -0.612 174.220 174.900 -0.114 0.000 1.250 147 G CA -0.624 44.415 45.100 -0.102 0.000 0.996 147 G HN 0.426 nan 8.290 nan 0.000 0.489 148 I N 0.456 121.008 120.570 -0.031 0.000 2.353 148 I HA 0.239 4.409 4.170 -0.000 0.000 0.293 148 I C -0.505 175.614 176.117 0.005 0.000 0.992 148 I CA -0.988 60.308 61.300 -0.006 0.000 1.268 148 I CB 1.059 39.090 38.000 0.051 0.000 1.387 148 I HN 0.378 nan 8.210 nan 0.000 0.478 149 Y N 7.239 127.605 120.300 0.110 0.000 2.425 149 Y HA 0.170 4.720 4.550 -0.001 0.000 0.331 149 Y C -1.533 174.384 175.900 0.029 0.000 1.157 149 Y CA -0.920 57.228 58.100 0.082 0.000 1.372 149 Y CB 0.159 38.653 38.460 0.057 0.000 1.253 149 Y HN 0.429 nan 8.280 nan 0.000 0.536 150 P HA 0.164 nan 4.420 nan 0.000 0.287 150 P C -1.364 175.953 177.300 0.029 0.000 1.296 150 P CA -1.006 62.107 63.100 0.021 0.000 0.811 150 P CB 1.234 32.876 31.700 -0.097 0.000 1.211 151 K N 1.478 121.875 120.400 -0.005 0.000 2.379 151 K HA 0.237 4.556 4.320 -0.000 0.000 0.284 151 K C -2.026 174.560 176.600 -0.024 0.000 1.044 151 K CA -1.361 54.918 56.287 -0.014 0.000 0.974 151 K CB 0.033 32.521 32.500 -0.020 0.000 0.962 151 K HN 0.288 nan 8.250 nan 0.000 0.474 152 P HA 0.218 nan 4.420 nan 0.000 0.281 152 P C -1.387 175.885 177.300 -0.047 0.000 1.281 152 P CA -0.672 62.406 63.100 -0.037 0.000 0.811 152 P CB 0.952 32.621 31.700 -0.051 0.000 1.154 153 R N 0.345 120.818 120.500 -0.046 0.000 2.294 153 R HA 0.596 4.936 4.340 -0.000 0.000 0.319 153 R C -0.535 175.725 176.300 -0.067 0.000 0.984 153 R CA -0.639 55.433 56.100 -0.047 0.000 0.861 153 R CB 0.684 30.964 30.300 -0.034 0.000 1.104 153 R HN 0.540 nan 8.270 nan 0.000 0.451 154 A N 6.588 129.364 122.820 -0.074 0.000 2.354 154 A HA 0.288 4.608 4.320 -0.000 0.000 0.281 154 A C 0.459 177.999 177.584 -0.074 0.000 1.174 154 A CA -0.704 51.274 52.037 -0.099 0.000 0.828 154 A CB -0.122 18.820 19.000 -0.098 0.000 1.099 154 A HN 0.830 nan 8.150 nan 0.000 0.516 155 I N 0.946 121.466 120.570 -0.083 0.000 2.612 155 I HA 0.757 4.927 4.170 -0.000 0.000 0.295 155 I C 0.622 176.706 176.117 -0.054 0.000 1.011 155 I CA -0.589 60.673 61.300 -0.063 0.000 1.326 155 I CB 1.237 39.187 38.000 -0.083 0.000 1.427 155 I HN 0.504 nan 8.210 nan 0.000 0.537 156 G N 2.601 111.384 108.800 -0.028 0.000 2.535 156 G HA2 0.347 4.307 3.960 -0.000 0.000 0.303 156 G HA3 0.347 4.307 3.960 -0.000 0.000 0.303 156 G C 0.560 175.446 174.900 -0.023 0.000 1.237 156 G CA -0.244 44.855 45.100 -0.001 0.000 0.986 156 G HN 0.750 nan 8.290 nan 0.000 0.494 157 T N -0.591 113.988 114.554 0.041 0.000 2.699 157 T HA -0.249 4.101 4.350 -0.000 0.000 0.268 157 T C 1.855 176.607 174.700 0.087 0.000 1.036 157 T CA 2.083 64.227 62.100 0.074 0.000 1.147 157 T CB -0.380 68.607 68.868 0.198 0.000 0.862 157 T HN 0.459 nan 8.240 nan 0.000 0.446 158 Y N 1.690 121.996 120.300 0.009 0.000 2.163 158 Y HA -0.060 4.490 4.550 -0.000 0.000 0.288 158 Y C 2.502 178.398 175.900 -0.005 0.000 1.136 158 Y CA 1.548 59.655 58.100 0.011 0.000 1.147 158 Y CB -0.387 38.080 38.460 0.011 0.000 0.987 158 Y HN 0.256 nan 8.280 nan 0.000 0.509 159 E N 0.028 120.137 120.200 -0.152 0.000 2.153 159 E HA -0.191 4.158 4.350 -0.000 0.000 0.194 159 E C 2.176 178.650 176.600 -0.210 0.000 0.988 159 E CA 1.454 57.717 56.400 -0.230 0.000 0.811 159 E CB -0.333 29.312 29.700 -0.092 0.000 0.746 159 E HN 0.622 nan 8.360 nan 0.000 0.466 160 I N 0.870 121.327 120.570 -0.188 0.000 2.226 160 I HA -0.292 3.877 4.170 -0.000 0.000 0.245 160 I C 2.612 178.685 176.117 -0.073 0.000 1.100 160 I CA 1.404 62.585 61.300 -0.199 0.000 1.374 160 I CB -0.320 37.426 38.000 -0.422 0.000 1.057 160 I HN 0.221 nan 8.210 nan 0.000 0.413 161 S N 0.211 115.851 115.700 -0.099 0.000 2.419 161 S HA -0.232 4.238 4.470 -0.000 0.000 0.233 161 S C 1.873 176.403 174.600 -0.117 0.000 1.016 161 S CA 0.997 59.158 58.200 -0.066 0.000 0.974 161 S CB -0.391 62.782 63.200 -0.043 0.000 0.786 161 S HN 0.511 nan 8.310 nan 0.000 0.492 162 Q N 0.424 120.084 119.800 -0.234 0.000 2.083 162 Q HA 0.016 4.356 4.340 -0.000 0.000 0.198 162 Q C 2.378 178.329 176.000 -0.082 0.000 0.969 162 Q CA 1.499 57.180 55.803 -0.203 0.000 0.838 162 Q CB -0.362 28.199 28.738 -0.295 0.000 0.900 162 Q HN 0.518 nan 8.270 nan 0.000 0.436 163 V N 0.299 120.187 119.914 -0.044 0.000 2.427 163 V HA -0.209 3.911 4.120 -0.000 0.000 0.248 163 V C 2.230 178.423 176.094 0.164 0.000 1.051 163 V CA 1.251 63.576 62.300 0.041 0.000 1.048 163 V CB -0.392 31.472 31.823 0.068 0.000 0.666 163 V HN 0.173 nan 8.190 nan 0.000 0.456 164 V N 0.212 120.218 119.914 0.153 0.000 2.332 164 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 164 V C 2.581 178.739 176.094 0.106 0.000 1.055 164 V CA 2.304 64.677 62.300 0.122 0.000 1.038 164 V CB -0.596 31.231 31.823 0.007 0.000 0.651 164 V HN 0.629 nan 8.190 nan 0.000 0.450 165 E N 0.445 120.670 120.200 0.043 0.000 2.153 165 E HA -0.221 4.129 4.350 -0.000 0.000 0.194 165 E C 1.764 178.384 176.600 0.034 0.000 0.988 165 E CA 1.453 57.869 56.400 0.027 0.000 0.811 165 E CB -0.324 29.373 29.700 -0.005 0.000 0.746 165 E HN 0.588 nan 8.360 nan 0.000 0.466 166 D N -0.804 119.604 120.400 0.014 0.000 2.144 166 D HA -0.156 4.484 4.640 -0.000 0.000 0.200 166 D C 1.592 177.874 176.300 -0.031 0.000 0.978 166 D CA 0.971 54.948 54.000 -0.038 0.000 0.833 166 D CB -0.311 40.420 40.800 -0.115 0.000 0.961 166 D HN 0.357 nan 8.370 nan 0.000 0.470 167 Y N 0.963 121.257 120.300 -0.009 0.000 2.163 167 Y HA -0.114 4.435 4.550 -0.001 0.000 0.288 167 Y C 2.672 178.555 175.900 -0.029 0.000 1.136 167 Y CA 1.142 59.230 58.100 -0.021 0.000 1.147 167 Y CB -0.056 38.366 38.460 -0.064 0.000 0.987 167 Y HN -0.151 nan 8.280 nan 0.000 0.509 168 R N 0.732 121.313 120.500 0.135 0.000 2.083 168 R HA -0.224 4.116 4.340 -0.000 0.000 0.237 168 R C 2.419 178.747 176.300 0.046 0.000 1.137 168 R CA 1.838 57.975 56.100 0.061 0.000 0.951 168 R CB -0.314 30.008 30.300 0.036 0.000 0.851 168 R HN 0.247 nan 8.270 nan 0.000 0.434 169 R N -0.136 120.393 120.500 0.047 0.000 2.096 169 R HA -0.062 4.277 4.340 -0.000 0.000 0.235 169 R C 2.106 178.438 176.300 0.054 0.000 1.127 169 R CA 1.912 58.040 56.100 0.048 0.000 0.968 169 R CB -0.071 30.260 30.300 0.052 0.000 0.861 169 R HN 0.204 nan 8.270 nan 0.000 0.440 170 S N 0.097 115.829 115.700 0.054 0.000 2.406 170 S HA -0.038 4.431 4.470 -0.000 0.000 0.228 170 S C 1.843 176.448 174.600 0.009 0.000 1.020 170 S CA 0.878 59.108 58.200 0.049 0.000 0.965 170 S CB 0.083 63.307 63.200 0.040 0.000 0.798 170 S HN 0.530 nan 8.310 nan 0.000 0.488 171 A N 1.648 124.474 122.820 0.011 0.000 1.898 171 A HA 0.019 4.339 4.320 -0.000 0.000 0.216 171 A C 2.071 179.641 177.584 -0.022 0.000 1.181 171 A CA 1.053 53.072 52.037 -0.029 0.000 0.620 171 A CB -0.719 18.267 19.000 -0.022 0.000 0.819 171 A HN 0.440 nan 8.150 nan 0.000 0.442 172 L N -0.212 121.013 121.223 0.004 0.000 2.042 172 L HA -0.227 4.112 4.340 -0.000 0.000 0.210 172 L C 2.313 179.199 176.870 0.027 0.000 1.076 172 L CA 1.349 56.197 54.840 0.014 0.000 0.749 172 L CB -0.650 41.422 42.059 0.022 0.000 0.893 172 L HN 0.350 nan 8.230 nan 0.000 0.432 173 N N 0.134 118.855 118.700 0.036 0.000 2.166 173 N HA -0.133 4.606 4.740 -0.000 0.000 0.186 173 N C 1.867 177.418 175.510 0.068 0.000 1.019 173 N CA 1.470 54.554 53.050 0.057 0.000 0.856 173 N CB -0.320 38.210 38.487 0.071 0.000 0.993 173 N HN 0.319 nan 8.380 nan 0.000 0.426 174 A N 1.257 124.092 122.820 0.024 0.000 1.902 174 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 174 A C 2.065 179.749 177.584 0.166 0.000 1.181 174 A CA 0.911 52.987 52.037 0.065 0.000 0.623 174 A CB -0.428 18.457 19.000 -0.191 0.000 0.818 174 A HN 0.116 nan 8.150 nan 0.000 0.443 175 I N 0.036 120.645 120.570 0.065 0.000 2.286 175 I HA -0.208 3.962 4.170 -0.000 0.000 0.248 175 I C 2.381 178.539 176.117 0.068 0.000 1.115 175 I CA 1.785 63.122 61.300 0.062 0.000 1.392 175 I CB -1.392 36.621 38.000 0.021 0.000 1.065 175 I HN 0.591 nan 8.210 nan 0.000 0.418 176 E N 1.177 121.416 120.200 0.064 0.000 2.110 176 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 176 E C 2.134 178.771 176.600 0.062 0.000 0.988 176 E CA 1.336 57.771 56.400 0.058 0.000 0.804 176 E CB 0.063 29.797 29.700 0.057 0.000 0.745 176 E HN 0.428 nan 8.360 nan 0.000 0.458 177 A N -0.289 122.582 122.820 0.085 0.000 2.206 177 A HA 0.169 4.489 4.320 -0.000 0.000 0.211 177 A C 1.783 179.327 177.584 -0.066 0.000 1.158 177 A CA 1.138 53.204 52.037 0.049 0.000 0.761 177 A CB -0.334 18.742 19.000 0.127 0.000 0.801 177 A HN 0.521 nan 8.150 nan 0.000 0.473 178 G N -2.362 106.429 108.800 -0.015 0.000 2.179 178 G HA2 -0.216 3.743 3.960 -0.000 0.000 0.220 178 G HA3 -0.216 3.743 3.960 -0.000 0.000 0.220 178 G C 0.101 174.999 174.900 -0.004 0.000 0.990 178 G CA -0.138 44.955 45.100 -0.011 0.000 0.646 178 G HN 0.313 nan 8.290 nan 0.000 0.517 179 F N 1.818 121.754 119.950 -0.022 0.000 2.595 179 F HA 0.201 4.729 4.527 0.001 0.000 0.359 179 F C 1.685 177.497 175.800 0.020 0.000 1.147 179 F CA 0.785 58.756 58.000 -0.049 0.000 1.341 179 F CB 0.549 39.443 39.000 -0.178 0.000 1.104 179 F HN 0.014 nan 8.300 nan 0.000 0.603 180 D N 1.271 121.861 120.400 0.318 0.000 2.312 180 D HA 0.123 4.763 4.640 -0.000 0.000 0.211 180 D C 0.952 177.201 176.300 -0.086 0.000 0.964 180 D CA 1.033 55.201 54.000 0.279 0.000 0.877 180 D CB 0.275 41.288 40.800 0.355 0.000 0.924 180 D HN 0.665 nan 8.370 nan 0.000 0.515 181 G N 0.304 108.730 108.800 -0.623 0.000 2.340 181 G HA2 0.408 4.367 3.960 -0.000 0.000 0.299 181 G HA3 0.408 4.367 3.960 -0.000 0.000 0.299 181 G C -1.831 172.413 174.900 -1.093 0.000 1.291 181 G CA -0.648 43.671 45.100 -1.301 0.000 0.841 181 G HN 0.084 nan 8.290 nan 0.000 0.500 182 I N -2.597 117.496 120.570 -0.795 0.000 2.934 182 I HA 0.900 5.070 4.170 -0.000 0.000 0.306 182 I C -0.666 175.429 176.117 -0.037 0.000 1.110 182 I CA -1.293 59.806 61.300 -0.335 0.000 1.019 182 I CB 2.515 40.368 38.000 -0.245 0.000 1.227 182 I HN 0.660 nan 8.210 nan 0.000 0.434 183 E N 3.950 124.190 120.200 0.067 0.000 2.187 183 E HA 0.470 4.820 4.350 -0.000 0.000 0.268 183 E C -1.353 175.272 176.600 0.042 0.000 0.896 183 E CA -0.833 55.640 56.400 0.122 0.000 0.766 183 E CB 1.451 31.293 29.700 0.235 0.000 1.142 183 E HN 0.608 nan 8.360 nan 0.000 0.408 184 I N 4.664 125.236 120.570 0.003 0.000 2.337 184 I HA 0.033 4.203 4.170 -0.000 0.000 0.291 184 I C 0.150 176.314 176.117 0.078 0.000 1.046 184 I CA -0.278 61.034 61.300 0.020 0.000 1.324 184 I CB 0.244 38.174 38.000 -0.117 0.000 1.409 184 I HN 0.603 nan 8.210 nan 0.000 0.494 185 H N 6.416 125.514 119.070 0.047 0.000 3.157 185 H HA 0.291 4.847 4.556 -0.000 0.000 0.260 185 H C 0.804 176.175 175.328 0.073 0.000 1.232 185 H CA -0.382 55.663 56.048 -0.005 0.000 1.488 185 H CB 0.411 30.145 29.762 -0.048 0.000 1.548 185 H HN 0.694 nan 8.280 nan 0.000 0.487 186 G N 3.209 112.165 108.800 0.260 0.000 3.899 186 G HA2 0.504 4.463 3.960 -0.000 0.000 0.293 186 G HA3 0.504 4.463 3.960 -0.000 0.000 0.293 186 G C 0.108 175.092 174.900 0.139 0.000 1.054 186 G CA 0.362 45.558 45.100 0.160 0.000 0.846 186 G HN 0.756 nan 8.290 nan 0.000 0.525 187 A N -0.780 122.171 122.820 0.218 0.000 2.468 187 A HA 0.710 5.030 4.320 -0.000 0.000 0.270 187 A C 0.549 178.227 177.584 0.157 0.000 1.217 187 A CA -0.603 51.435 52.037 0.001 0.000 0.908 187 A CB 0.179 18.873 19.000 -0.509 0.000 1.423 187 A HN 0.660 nan 8.150 nan 0.000 0.459 188 H N -1.172 118.014 119.070 0.194 0.000 2.776 188 H HA -0.196 4.360 4.556 -0.000 0.000 0.300 188 H C 1.210 176.464 175.328 -0.124 0.000 1.161 188 H CA 1.095 57.218 56.048 0.125 0.000 1.147 188 H CB -1.544 28.379 29.762 0.268 0.000 1.366 188 H HN 2.187 nan 8.280 nan 0.000 0.397 189 G N -1.982 106.778 108.800 -0.067 0.000 2.143 189 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.248 189 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.248 189 G C 0.074 174.748 174.900 -0.376 0.000 0.991 189 G CA 0.629 45.561 45.100 -0.281 0.000 0.689 189 G HN 0.536 nan 8.290 nan 0.000 0.522 190 Y N -1.353 119.004 120.300 0.095 0.000 2.488 190 Y HA 0.575 5.125 4.550 -0.000 0.000 0.385 190 Y C 1.896 177.862 175.900 0.110 0.000 1.371 190 Y CA -0.346 57.814 58.100 0.099 0.000 1.712 190 Y CB -0.452 38.103 38.460 0.159 0.000 1.715 190 Y HN 0.037 nan 8.280 nan 0.000 0.607 191 L N 0.475 121.914 121.223 0.360 0.000 1.990 191 L HA -0.217 4.123 4.340 -0.000 0.000 0.213 191 L C 1.886 179.001 176.870 0.408 0.000 1.072 191 L CA 1.811 56.827 54.840 0.294 0.000 0.755 191 L CB -0.921 41.284 42.059 0.244 0.000 0.889 191 L HN 0.680 nan 8.230 nan 0.000 0.432 192 I N -0.631 120.218 120.570 0.465 0.000 2.226 192 I HA -0.275 3.894 4.170 -0.000 0.000 0.245 192 I C 2.073 178.410 176.117 0.367 0.000 1.100 192 I CA 1.582 63.183 61.300 0.502 0.000 1.374 192 I CB -0.437 37.722 38.000 0.265 0.000 1.057 192 I HN 0.318 nan 8.210 nan 0.000 0.413 193 D N 0.447 120.989 120.400 0.236 0.000 2.263 193 D HA -0.189 4.451 4.640 -0.000 0.000 0.208 193 D C 2.180 178.535 176.300 0.093 0.000 0.971 193 D CA 1.099 55.183 54.000 0.141 0.000 0.867 193 D CB 0.065 40.916 40.800 0.085 0.000 0.929 193 D HN 0.332 nan 8.370 nan 0.000 0.492 194 Q N -1.453 118.397 119.800 0.084 0.000 2.224 194 Q HA -0.063 4.277 4.340 -0.000 0.000 0.203 194 Q C 1.453 177.363 176.000 -0.151 0.000 0.970 194 Q CA 0.779 56.538 55.803 -0.072 0.000 0.865 194 Q CB 0.016 28.671 28.738 -0.139 0.000 0.922 194 Q HN 0.360 nan 8.270 nan 0.000 0.445 195 F N -0.536 119.412 119.950 -0.002 0.000 2.317 195 F HA -0.003 4.524 4.527 -0.000 0.000 0.293 195 F C 1.736 177.575 175.800 0.066 0.000 1.085 195 F CA 0.557 58.570 58.000 0.022 0.000 1.390 195 F CB 0.048 39.087 39.000 0.066 0.000 1.077 195 F HN -0.019 nan 8.300 nan 0.000 0.517 196 L N -0.402 120.975 121.223 0.257 0.000 2.056 196 L HA -0.119 4.221 4.340 -0.000 0.000 0.207 196 L C 0.836 177.762 176.870 0.093 0.000 1.078 196 L CA 0.971 55.909 54.840 0.164 0.000 0.749 196 L CB -0.434 41.706 42.059 0.135 0.000 0.901 196 L HN -0.167 nan 8.230 nan 0.000 0.433 197 K N 1.590 122.024 120.400 0.058 0.000 2.349 197 K HA 0.003 4.323 4.320 -0.000 0.000 0.288 197 K C 0.352 176.957 176.600 0.008 0.000 1.058 197 K CA -0.015 56.287 56.287 0.026 0.000 0.953 197 K CB 0.971 33.472 32.500 0.002 0.000 0.997 197 K HN 0.138 nan 8.250 nan 0.000 0.477 198 D N 1.543 121.952 120.400 0.016 0.000 2.371 198 D HA -0.071 4.568 4.640 -0.000 0.000 0.221 198 D C 1.210 177.507 176.300 -0.006 0.000 0.986 198 D CA 0.493 54.497 54.000 0.007 0.000 0.899 198 D CB -0.065 40.745 40.800 0.017 0.000 0.902 198 D HN 0.615 nan 8.370 nan 0.000 0.530 199 G N -0.134 108.661 108.800 -0.008 0.000 2.712 199 G HA2 0.105 4.065 3.960 -0.000 0.000 0.212 199 G HA3 0.105 4.065 3.960 -0.000 0.000 0.212 199 G C 1.470 176.347 174.900 -0.038 0.000 1.142 199 G CA 0.139 45.232 45.100 -0.013 0.000 0.789 199 G HN 0.373 nan 8.290 nan 0.000 0.535 200 I N -0.823 119.711 120.570 -0.060 0.000 3.673 200 I HA 0.135 4.305 4.170 -0.000 0.000 0.281 200 I C 0.423 176.464 176.117 -0.126 0.000 1.182 200 I CA -0.276 60.964 61.300 -0.100 0.000 1.391 200 I CB 0.226 38.149 38.000 -0.129 0.000 1.383 200 I HN -0.084 nan 8.210 nan 0.000 0.456 201 N N 3.041 121.669 118.700 -0.119 0.000 2.402 201 N HA -0.030 4.709 4.740 -0.000 0.000 0.259 201 N C -0.475 174.984 175.510 -0.084 0.000 1.167 201 N CA 0.347 53.311 53.050 -0.143 0.000 0.949 201 N CB 0.331 38.760 38.487 -0.098 0.000 1.212 201 N HN 0.259 nan 8.380 nan 0.000 0.493 202 D N 2.002 122.345 120.400 -0.095 0.000 2.501 202 D HA 0.089 4.729 4.640 -0.000 0.000 0.226 202 D C 0.097 176.370 176.300 -0.045 0.000 1.198 202 D CA -0.295 53.671 54.000 -0.056 0.000 0.830 202 D CB -0.003 40.765 40.800 -0.054 0.000 1.014 202 D HN 0.302 nan 8.370 nan 0.000 0.496 203 R N -0.293 120.179 120.500 -0.047 0.000 2.679 203 R HA 0.367 4.707 4.340 -0.000 0.000 0.269 203 R C 1.075 177.386 176.300 0.018 0.000 1.076 203 R CA 0.477 56.569 56.100 -0.013 0.000 1.160 203 R CB 0.442 30.751 30.300 0.016 0.000 1.054 203 R HN 0.160 nan 8.270 nan 0.000 0.507 204 T N -3.731 110.840 114.554 0.028 0.000 3.040 204 T HA 0.020 4.370 4.350 -0.000 0.000 0.266 204 T C 0.310 175.038 174.700 0.047 0.000 1.005 204 T CA -0.432 61.686 62.100 0.031 0.000 0.906 204 T CB -0.083 68.797 68.868 0.019 0.000 1.082 204 T HN 0.649 nan 8.240 nan 0.000 0.531 205 D N 2.227 122.673 120.400 0.076 0.000 2.496 205 D HA 0.060 4.700 4.640 -0.000 0.000 0.283 205 D C 1.318 177.675 176.300 0.095 0.000 1.214 205 D CA -0.526 53.532 54.000 0.096 0.000 1.089 205 D CB 0.345 41.229 40.800 0.141 0.000 1.141 205 D HN 0.405 nan 8.370 nan 0.000 0.580 206 E N -1.453 118.794 120.200 0.078 0.000 2.472 206 E HA -0.179 4.171 4.350 -0.000 0.000 0.200 206 E C 0.642 177.165 176.600 -0.129 0.000 1.046 206 E CA 0.800 57.173 56.400 -0.045 0.000 0.871 206 E CB -0.551 29.071 29.700 -0.130 0.000 0.806 206 E HN 0.471 nan 8.360 nan 0.000 0.533 207 Y N 0.652 121.010 120.300 0.098 0.000 2.485 207 Y HA 0.377 4.926 4.550 -0.001 0.000 0.260 207 Y C 0.966 176.962 175.900 0.159 0.000 1.173 207 Y CA -0.048 58.148 58.100 0.161 0.000 1.252 207 Y CB 1.324 39.937 38.460 0.255 0.000 1.123 207 Y HN 0.121 nan 8.280 nan 0.000 0.524 208 G N -1.859 107.055 108.800 0.190 0.000 2.733 208 G HA2 0.530 4.490 3.960 -0.000 0.000 0.288 208 G HA3 0.530 4.490 3.960 -0.000 0.000 0.288 208 G C 0.279 175.220 174.900 0.068 0.000 1.373 208 G CA -0.204 44.966 45.100 0.117 0.000 0.895 208 G HN 0.325 nan 8.290 nan 0.000 0.479 209 G N -0.028 108.801 108.800 0.048 0.000 3.226 209 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.270 209 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.270 209 G C 1.122 176.042 174.900 0.034 0.000 1.592 209 G CA 0.906 46.026 45.100 0.033 0.000 1.055 209 G HN 2.308 nan 8.290 nan 0.000 0.582 210 S N 1.185 116.903 115.700 0.029 0.000 2.589 210 S HA 0.535 5.004 4.470 -0.000 0.000 0.265 210 S C 1.707 176.328 174.600 0.035 0.000 1.342 210 S CA 0.356 58.572 58.200 0.026 0.000 1.005 210 S CB 1.188 64.399 63.200 0.017 0.000 0.909 210 S HN 0.961 nan 8.310 nan 0.000 0.555 211 L N 1.420 122.662 121.223 0.032 0.000 2.042 211 L HA -0.116 4.224 4.340 -0.000 0.000 0.210 211 L C 3.040 179.932 176.870 0.038 0.000 1.076 211 L CA 1.722 56.585 54.840 0.039 0.000 0.749 211 L CB -1.097 40.982 42.059 0.033 0.000 0.893 211 L HN 0.959 nan 8.230 nan 0.000 0.432 212 A N 0.167 123.001 122.820 0.024 0.000 1.883 212 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 212 A C 2.050 179.639 177.584 0.008 0.000 1.186 212 A CA 2.136 54.181 52.037 0.012 0.000 0.624 212 A CB -0.608 18.393 19.000 0.001 0.000 0.822 212 A HN 0.432 nan 8.150 nan 0.000 0.444 213 N N -0.247 118.459 118.700 0.009 0.000 2.120 213 N HA -0.107 4.633 4.740 -0.000 0.000 0.188 213 N C 1.770 177.331 175.510 0.084 0.000 1.024 213 N CA 1.351 54.403 53.050 0.004 0.000 0.852 213 N CB -0.418 38.079 38.487 0.016 0.000 1.003 213 N HN 0.514 nan 8.380 nan 0.000 0.424 214 R N -0.436 120.130 120.500 0.111 0.000 2.148 214 R HA 0.080 4.420 4.340 -0.000 0.000 0.227 214 R C 1.393 177.807 176.300 0.190 0.000 1.103 214 R CA 0.726 56.932 56.100 0.177 0.000 0.983 214 R CB -0.234 30.143 30.300 0.129 0.000 0.874 214 R HN 0.254 nan 8.270 nan 0.000 0.451 215 C N 0.231 119.601 119.300 0.117 0.000 2.626 215 C HA 0.101 4.560 4.460 -0.000 0.000 0.266 215 C C 2.255 177.290 174.990 0.075 0.000 1.317 215 C CA -0.336 58.736 59.018 0.091 0.000 1.716 215 C CB -0.547 27.222 27.740 0.048 0.000 1.819 215 C HN 0.441 nan 8.230 nan 0.000 0.578 216 K N 0.921 121.369 120.400 0.081 0.000 2.026 216 K HA -0.193 4.126 4.320 -0.000 0.000 0.208 216 K C 1.847 178.528 176.600 0.134 0.000 1.048 216 K CA 1.620 57.924 56.287 0.028 0.000 0.929 216 K CB -0.334 32.055 32.500 -0.185 0.000 0.713 216 K HN 0.385 nan 8.250 nan 0.000 0.439 217 F N 1.615 121.602 119.950 0.060 0.000 2.102 217 F HA -0.163 4.365 4.527 0.000 0.000 0.298 217 F C 1.982 177.693 175.800 -0.147 0.000 1.105 217 F CA 1.380 59.309 58.000 -0.118 0.000 1.239 217 F CB -0.396 38.254 39.000 -0.585 0.000 0.991 217 F HN 0.044 nan 8.300 nan 0.000 0.474 218 I N -0.606 119.867 120.570 -0.162 0.000 2.286 218 I HA -0.314 3.856 4.170 -0.000 0.000 0.248 218 I C 2.019 177.981 176.117 -0.258 0.000 1.115 218 I CA 1.813 62.940 61.300 -0.289 0.000 1.392 218 I CB -0.432 37.503 38.000 -0.107 0.000 1.065 218 I HN 0.176 nan 8.210 nan 0.000 0.418 219 T N 0.513 114.983 114.554 -0.141 0.000 2.746 219 T HA -0.215 4.135 4.350 -0.000 0.000 0.267 219 T C 1.783 176.399 174.700 -0.141 0.000 1.039 219 T CA 1.432 63.467 62.100 -0.109 0.000 1.142 219 T CB -0.202 68.637 68.868 -0.048 0.000 0.866 219 T HN 0.487 nan 8.240 nan 0.000 0.444 220 Q N 0.209 119.917 119.800 -0.155 0.000 2.119 220 Q HA -0.056 4.284 4.340 -0.000 0.000 0.201 220 Q C 2.591 178.440 176.000 -0.251 0.000 0.972 220 Q CA 1.045 56.760 55.803 -0.146 0.000 0.847 220 Q CB -0.370 28.333 28.738 -0.059 0.000 0.903 220 Q HN 0.351 nan 8.270 nan 0.000 0.433 221 V N 0.286 119.921 119.914 -0.465 0.000 2.261 221 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 221 V C 2.273 178.136 176.094 -0.385 0.000 1.047 221 V CA 1.503 63.456 62.300 -0.579 0.000 1.015 221 V CB -0.464 30.743 31.823 -1.026 0.000 0.642 221 V HN 0.173 nan 8.190 nan 0.000 0.446 222 V N -0.340 119.380 119.914 -0.323 0.000 2.343 222 V HA -0.306 3.814 4.120 -0.000 0.000 0.247 222 V C 2.468 178.477 176.094 -0.140 0.000 1.051 222 V CA 2.250 64.423 62.300 -0.212 0.000 1.036 222 V CB -0.723 30.998 31.823 -0.170 0.000 0.654 222 V HN 0.556 nan 8.190 nan 0.000 0.451 223 Q N 0.636 120.365 119.800 -0.119 0.000 2.096 223 Q HA -0.159 4.181 4.340 -0.000 0.000 0.204 223 Q C 2.130 178.090 176.000 -0.066 0.000 0.982 223 Q CA 2.273 58.034 55.803 -0.070 0.000 0.850 223 Q CB -0.660 28.048 28.738 -0.049 0.000 0.901 223 Q HN 0.599 nan 8.270 nan 0.000 0.422 224 A N -0.278 122.491 122.820 -0.086 0.000 1.902 224 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 224 A C 2.190 179.744 177.584 -0.050 0.000 1.181 224 A CA 2.082 54.084 52.037 -0.058 0.000 0.623 224 A CB -1.115 17.851 19.000 -0.057 0.000 0.818 224 A HN 0.468 nan 8.150 nan 0.000 0.443 225 V N -2.715 117.156 119.914 -0.072 0.000 2.453 225 V HA -0.121 3.999 4.120 -0.000 0.000 0.247 225 V C 2.170 178.230 176.094 -0.056 0.000 1.048 225 V CA 1.831 64.097 62.300 -0.056 0.000 1.049 225 V CB -1.260 30.520 31.823 -0.071 0.000 0.672 225 V HN 0.177 nan 8.190 nan 0.000 0.457 226 V N 1.133 121.010 119.914 -0.061 0.000 2.332 226 V HA -0.225 3.895 4.120 -0.000 0.000 0.248 226 V C 2.832 178.907 176.094 -0.031 0.000 1.055 226 V CA 2.622 64.894 62.300 -0.046 0.000 1.038 226 V CB -0.813 30.986 31.823 -0.039 0.000 0.651 226 V HN 0.650 nan 8.190 nan 0.000 0.450 227 S N -0.531 115.152 115.700 -0.028 0.000 2.515 227 S HA 0.033 4.503 4.470 -0.000 0.000 0.231 227 S C 1.937 176.527 174.600 -0.016 0.000 0.987 227 S CA 0.995 59.184 58.200 -0.019 0.000 0.936 227 S CB -0.083 63.107 63.200 -0.016 0.000 0.766 227 S HN 0.650 nan 8.310 nan 0.000 0.528 228 A N 1.358 124.166 122.820 -0.019 0.000 1.924 228 A HA 0.308 4.628 4.320 -0.000 0.000 0.211 228 A C 1.798 179.372 177.584 -0.017 0.000 1.198 228 A CA 0.591 52.619 52.037 -0.014 0.000 0.657 228 A CB -0.190 18.804 19.000 -0.010 0.000 0.852 228 A HN 0.594 nan 8.150 nan 0.000 0.454 229 I N -5.368 115.185 120.570 -0.028 0.000 4.240 229 I HA 0.567 4.736 4.170 -0.000 0.000 0.331 229 I C 0.645 176.741 176.117 -0.034 0.000 1.381 229 I CA 0.146 61.426 61.300 -0.032 0.000 1.136 229 I CB 0.572 38.543 38.000 -0.048 0.000 1.137 229 I HN 0.434 nan 8.210 nan 0.000 0.411 230 G N 1.576 110.357 108.800 -0.032 0.000 2.907 230 G HA2 0.039 3.999 3.960 -0.000 0.000 0.686 230 G HA3 0.039 3.999 3.960 -0.000 0.000 0.686 230 G C 0.435 175.318 174.900 -0.030 0.000 1.115 230 G CA -0.330 44.754 45.100 -0.027 0.000 0.760 230 G HN 0.519 nan 8.290 nan 0.000 0.620 231 A N 1.226 124.034 122.820 -0.020 0.000 1.978 231 A HA -0.016 4.304 4.320 -0.000 0.000 0.220 231 A C 2.238 179.823 177.584 0.002 0.000 1.170 231 A CA 2.351 54.380 52.037 -0.013 0.000 0.636 231 A CB -0.396 18.603 19.000 -0.001 0.000 0.810 231 A HN 1.394 nan 8.150 nan 0.000 0.448 232 D N -0.356 120.049 120.400 0.007 0.000 2.263 232 D HA -0.190 4.450 4.640 -0.000 0.000 0.208 232 D C 1.333 177.690 176.300 0.096 0.000 0.971 232 D CA 0.919 54.941 54.000 0.038 0.000 0.867 232 D CB -0.379 40.416 40.800 -0.008 0.000 0.929 232 D HN 0.514 nan 8.370 nan 0.000 0.492 233 R N 0.153 120.662 120.500 0.015 0.000 2.552 233 R HA 0.306 4.645 4.340 -0.000 0.000 0.314 233 R C -0.525 175.647 176.300 -0.213 0.000 1.041 233 R CA -0.171 55.877 56.100 -0.086 0.000 1.076 233 R CB 1.393 31.619 30.300 -0.123 0.000 1.290 233 R HN 0.012 nan 8.270 nan 0.000 0.563 234 V N 0.389 120.263 119.914 -0.068 0.000 2.483 234 V HA 0.510 4.630 4.120 -0.000 0.000 0.297 234 V C 0.262 176.278 176.094 -0.130 0.000 1.027 234 V CA -0.938 61.302 62.300 -0.100 0.000 0.855 234 V CB 1.741 33.504 31.823 -0.102 0.000 0.995 234 V HN 0.291 nan 8.190 nan 0.000 0.424 235 G N 3.051 111.720 108.800 -0.218 0.000 2.417 235 G HA2 0.690 4.650 3.960 -0.000 0.000 0.334 235 G HA3 0.690 4.650 3.960 -0.000 0.000 0.334 235 G C -1.272 173.401 174.900 -0.378 0.000 1.150 235 G CA -0.608 44.011 45.100 -0.802 0.000 0.923 235 G HN 0.551 nan 8.290 nan 0.000 0.485 236 V N 1.095 120.814 119.914 -0.325 0.000 2.531 236 V HA 0.551 4.671 4.120 -0.000 0.000 0.301 236 V C -0.040 176.019 176.094 -0.057 0.000 1.034 236 V CA -0.883 61.328 62.300 -0.148 0.000 0.865 236 V CB 1.710 33.433 31.823 -0.167 0.000 0.995 236 V HN 0.801 nan 8.190 nan 0.000 0.424 237 R N 3.493 123.960 120.500 -0.056 0.000 2.387 237 R HA 0.840 5.179 4.340 -0.000 0.000 0.314 237 R C -1.044 175.175 176.300 -0.134 0.000 0.958 237 R CA -0.336 55.690 56.100 -0.123 0.000 0.846 237 R CB 1.849 31.982 30.300 -0.279 0.000 1.147 237 R HN 0.712 nan 8.270 nan 0.000 0.447 238 V N 0.272 120.101 119.914 -0.141 0.000 3.160 238 V HA 0.741 4.861 4.120 -0.000 0.000 0.310 238 V C -0.775 175.266 176.094 -0.090 0.000 1.181 238 V CA -0.676 61.571 62.300 -0.089 0.000 1.047 238 V CB 2.249 34.050 31.823 -0.036 0.000 1.068 238 V HN 0.833 nan 8.190 nan 0.000 0.441 239 S N -0.344 115.340 115.700 -0.027 0.000 2.564 239 S HA 0.461 4.931 4.470 -0.000 0.000 0.141 239 S C -1.797 172.840 174.600 0.062 0.000 1.474 239 S CA -0.363 57.855 58.200 0.030 0.000 1.236 239 S CB 1.054 64.310 63.200 0.094 0.000 1.481 239 S HN 0.759 nan 8.310 nan 0.000 0.397 240 P HA -0.039 nan 4.420 nan 0.000 0.219 240 P C 1.082 178.427 177.300 0.075 0.000 1.146 240 P CA 1.429 64.569 63.100 0.066 0.000 0.808 240 P CB 0.016 31.756 31.700 0.066 0.000 0.779 241 A N -1.151 121.719 122.820 0.083 0.000 2.387 241 A HA 0.287 4.607 4.320 -0.000 0.000 0.234 241 A C 1.041 178.683 177.584 0.098 0.000 1.253 241 A CA -0.246 51.847 52.037 0.093 0.000 0.894 241 A CB -0.451 18.608 19.000 0.099 0.000 0.963 241 A HN 0.117 nan 8.150 nan 0.000 0.508 242 I N 1.109 121.736 120.570 0.096 0.000 2.336 242 I HA 0.187 4.357 4.170 -0.000 0.000 0.292 242 I C -0.212 175.967 176.117 0.104 0.000 0.991 242 I CA -0.593 60.767 61.300 0.100 0.000 1.227 242 I CB 1.805 39.872 38.000 0.112 0.000 1.366 242 I HN 0.297 nan 8.210 nan 0.000 0.466 243 D N 4.117 124.590 120.400 0.122 0.000 2.427 243 D HA -0.037 4.603 4.640 -0.000 0.000 0.224 243 D C 0.726 177.024 176.300 -0.004 0.000 1.157 243 D CA -0.302 53.750 54.000 0.087 0.000 0.828 243 D CB -0.198 40.687 40.800 0.141 0.000 0.974 243 D HN 0.432 nan 8.370 nan 0.000 0.498 244 H N 2.199 121.169 119.070 -0.167 0.000 3.152 244 H HA -0.108 4.448 4.556 -0.000 0.000 0.319 244 H C 0.859 175.598 175.328 -0.981 0.000 0.994 244 H CA 0.620 56.345 56.048 -0.538 0.000 1.370 244 H CB 0.463 30.063 29.762 -0.270 0.000 1.322 244 H HN 0.175 nan 8.280 nan 0.000 0.590 245 L N 5.081 124.831 121.223 -2.454 0.000 3.634 245 L HA -0.298 4.042 4.340 -0.000 0.000 0.423 245 L C -0.114 176.090 176.870 -1.110 0.000 1.253 245 L CA 0.842 54.454 54.840 -2.046 0.000 0.885 245 L CB -1.430 39.797 42.059 -1.387 0.000 1.789 245 L HN 0.889 nan 8.230 nan 0.000 0.904 246 D N -1.691 118.253 120.400 -0.761 0.000 2.723 246 D HA -0.190 4.450 4.640 -0.000 0.000 0.236 246 D C 0.765 176.962 176.300 -0.172 0.000 1.138 246 D CA 1.415 55.320 54.000 -0.158 0.000 0.676 246 D CB -0.561 40.211 40.800 -0.046 0.000 1.069 246 D HN 0.703 nan 8.370 nan 0.000 0.430 247 A N 0.516 123.221 122.820 -0.192 0.000 3.173 247 A HA 0.503 4.823 4.320 -0.000 0.000 0.304 247 A C 0.451 178.019 177.584 -0.027 0.000 1.318 247 A CA -0.432 51.535 52.037 -0.118 0.000 1.069 247 A CB 0.174 19.088 19.000 -0.142 0.000 1.147 247 A HN 0.295 nan 8.150 nan 0.000 0.547 248 M N 0.604 120.204 119.600 0.001 0.000 2.478 248 M HA 0.477 4.957 4.480 -0.000 0.000 0.327 248 M C -1.110 175.208 176.300 0.030 0.000 1.187 248 M CA -0.368 54.954 55.300 0.036 0.000 1.022 248 M CB 1.414 34.049 32.600 0.058 0.000 1.629 248 M HN 0.484 nan 8.290 nan 0.000 0.461 249 D N 0.195 120.620 120.400 0.042 0.000 2.457 249 D HA 0.309 4.949 4.640 -0.000 0.000 0.240 249 D C 0.664 176.989 176.300 0.041 0.000 1.041 249 D CA -0.299 53.723 54.000 0.038 0.000 0.861 249 D CB 1.782 42.608 40.800 0.043 0.000 1.394 249 D HN 0.653 nan 8.370 nan 0.000 0.473 250 S N 2.790 118.511 115.700 0.035 0.000 2.419 250 S HA -0.138 4.332 4.470 -0.000 0.000 0.233 250 S C 0.846 175.468 174.600 0.037 0.000 1.016 250 S CA 0.526 58.746 58.200 0.034 0.000 0.974 250 S CB -0.098 63.119 63.200 0.028 0.000 0.786 250 S HN 0.468 nan 8.310 nan 0.000 0.492 251 N N 1.186 119.910 118.700 0.039 0.000 2.707 251 N HA 0.380 5.120 4.740 -0.000 0.000 0.249 251 N C -2.722 172.816 175.510 0.046 0.000 1.299 251 N CA -1.979 51.096 53.050 0.040 0.000 0.769 251 N CB 1.489 39.997 38.487 0.035 0.000 1.236 251 N HN -0.074 nan 8.380 nan 0.000 0.524 252 P HA -0.161 nan 4.420 nan 0.000 0.216 252 P C 1.651 178.987 177.300 0.059 0.000 1.157 252 P CA 0.673 63.809 63.100 0.060 0.000 0.880 252 P CB 0.493 32.236 31.700 0.070 0.000 0.791 253 L N -0.722 120.534 121.223 0.056 0.000 2.046 253 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 253 L C 2.450 179.348 176.870 0.048 0.000 1.077 253 L CA 2.051 56.922 54.840 0.053 0.000 0.747 253 L CB -1.620 40.467 42.059 0.047 0.000 0.896 253 L HN -0.088 nan 8.230 nan 0.000 0.432 254 S N -1.001 114.724 115.700 0.042 0.000 2.368 254 S HA -0.189 4.281 4.470 -0.000 0.000 0.225 254 S C 2.025 176.651 174.600 0.042 0.000 1.030 254 S CA 1.606 59.829 58.200 0.038 0.000 0.999 254 S CB -0.537 62.683 63.200 0.034 0.000 0.844 254 S HN 0.447 nan 8.310 nan 0.000 0.459 255 L N 1.710 122.960 121.223 0.046 0.000 2.017 255 L HA 0.138 4.477 4.340 -0.000 0.000 0.208 255 L C 2.356 179.257 176.870 0.051 0.000 1.073 255 L CA 2.346 57.216 54.840 0.049 0.000 0.745 255 L CB -1.438 40.652 42.059 0.052 0.000 0.894 255 L HN 0.359 nan 8.230 nan 0.000 0.432 256 G N -0.419 108.414 108.800 0.056 0.000 2.418 256 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.217 256 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.217 256 G C 1.611 176.547 174.900 0.061 0.000 1.158 256 G CA 1.074 46.211 45.100 0.061 0.000 0.771 256 G HN 0.440 nan 8.290 nan 0.000 0.545 257 L N 0.586 121.843 121.223 0.056 0.000 2.141 257 L HA -0.021 4.319 4.340 -0.000 0.000 0.209 257 L C 3.376 180.275 176.870 0.048 0.000 1.094 257 L CA 0.820 55.692 54.840 0.054 0.000 0.763 257 L CB -0.346 41.739 42.059 0.044 0.000 0.908 257 L HN 0.317 nan 8.230 nan 0.000 0.437 258 A N -0.245 122.601 122.820 0.043 0.000 1.898 258 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 258 A C 2.334 179.940 177.584 0.036 0.000 1.181 258 A CA 1.631 53.690 52.037 0.037 0.000 0.620 258 A CB -0.745 18.278 19.000 0.037 0.000 0.819 258 A HN 0.172 nan 8.150 nan 0.000 0.442 259 V N -0.369 119.567 119.914 0.038 0.000 2.295 259 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 259 V C 2.578 178.690 176.094 0.029 0.000 1.049 259 V CA 1.973 64.289 62.300 0.026 0.000 1.024 259 V CB -0.790 31.045 31.823 0.021 0.000 0.648 259 V HN 0.364 nan 8.190 nan 0.000 0.447 260 V N 0.027 119.972 119.914 0.051 0.000 2.332 260 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 260 V C 2.619 178.776 176.094 0.106 0.000 1.055 260 V CA 2.278 64.635 62.300 0.094 0.000 1.038 260 V CB -0.621 31.282 31.823 0.133 0.000 0.651 260 V HN 0.590 nan 8.190 nan 0.000 0.450 261 E N 0.333 120.573 120.200 0.066 0.000 2.153 261 E HA -0.183 4.167 4.350 -0.000 0.000 0.194 261 E C 2.301 178.915 176.600 0.024 0.000 0.988 261 E CA 1.133 57.559 56.400 0.043 0.000 0.811 261 E CB -0.181 29.535 29.700 0.026 0.000 0.746 261 E HN 0.364 nan 8.360 nan 0.000 0.466 262 R N -0.018 120.495 120.500 0.021 0.000 2.092 262 R HA -0.027 4.313 4.340 -0.000 0.000 0.231 262 R C 2.494 178.797 176.300 0.005 0.000 1.119 262 R CA 0.910 57.013 56.100 0.004 0.000 0.970 262 R CB -0.842 29.458 30.300 0.001 0.000 0.864 262 R HN 0.325 nan 8.270 nan 0.000 0.440 263 L N 0.865 122.108 121.223 0.033 0.000 2.056 263 L HA -0.131 4.209 4.340 -0.000 0.000 0.207 263 L C 1.920 178.852 176.870 0.103 0.000 1.078 263 L CA 1.011 55.889 54.840 0.064 0.000 0.749 263 L CB -0.543 41.559 42.059 0.071 0.000 0.901 263 L HN 0.119 nan 8.230 nan 0.000 0.433 264 N N 0.495 119.262 118.700 0.112 0.000 2.166 264 N HA -0.212 4.528 4.740 -0.000 0.000 0.186 264 N C 1.762 177.242 175.510 -0.050 0.000 1.019 264 N CA 1.250 54.327 53.050 0.046 0.000 0.856 264 N CB -0.157 38.346 38.487 0.028 0.000 0.993 264 N HN 0.310 nan 8.380 nan 0.000 0.426 265 K N 0.814 121.162 120.400 -0.086 0.000 2.057 265 K HA 0.036 4.356 4.320 -0.000 0.000 0.206 265 K C 2.000 178.439 176.600 -0.269 0.000 1.050 265 K CA 0.688 56.833 56.287 -0.238 0.000 0.935 265 K CB -0.088 32.295 32.500 -0.196 0.000 0.715 265 K HN 0.064 nan 8.250 nan 0.000 0.439 266 I N 1.302 121.817 120.570 -0.092 0.000 2.208 266 I HA -0.322 3.848 4.170 -0.000 0.000 0.245 266 I C 2.446 178.556 176.117 -0.012 0.000 1.097 266 I CA 1.405 62.694 61.300 -0.019 0.000 1.363 266 I CB -0.229 37.770 38.000 -0.002 0.000 1.051 266 I HN 0.345 nan 8.210 nan 0.000 0.413 267 Q N 0.375 120.163 119.800 -0.019 0.000 2.084 267 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 267 Q C 2.406 178.392 176.000 -0.025 0.000 0.978 267 Q CA 1.363 57.162 55.803 -0.008 0.000 0.844 267 Q CB -0.129 28.610 28.738 0.002 0.000 0.898 267 Q HN 0.528 nan 8.270 nan 0.000 0.426 268 L N -0.161 121.015 121.223 -0.079 0.000 2.056 268 L HA -0.206 4.134 4.340 -0.000 0.000 0.207 268 L C 2.382 179.267 176.870 0.025 0.000 1.078 268 L CA 0.970 55.769 54.840 -0.068 0.000 0.749 268 L CB -0.529 41.446 42.059 -0.140 0.000 0.901 268 L HN 0.317 nan 8.230 nan 0.000 0.433 269 H N -0.854 118.212 119.070 -0.007 0.000 2.389 269 H HA -0.055 4.501 4.556 -0.001 0.000 0.299 269 H C 2.562 177.883 175.328 -0.011 0.000 1.081 269 H CA 1.309 57.351 56.048 -0.009 0.000 1.345 269 H CB -0.209 29.548 29.762 -0.010 0.000 1.393 269 H HN 0.205 nan 8.280 nan 0.000 0.520 270 S N -1.080 114.687 115.700 0.112 0.000 2.461 270 S HA 0.092 4.562 4.470 -0.000 0.000 0.228 270 S C 1.581 176.199 174.600 0.030 0.000 1.005 270 S CA 0.741 58.973 58.200 0.052 0.000 0.942 270 S CB 0.005 63.223 63.200 0.031 0.000 0.776 270 S HN 0.769 nan 8.310 nan 0.000 0.514 271 G N 1.223 110.040 108.800 0.028 0.000 2.147 271 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.244 271 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.244 271 G C 0.008 174.907 174.900 -0.002 0.000 1.005 271 G CA 0.442 45.549 45.100 0.011 0.000 0.713 271 G HN 0.738 nan 8.290 nan 0.000 0.515 272 S N -1.282 114.417 115.700 -0.001 0.000 2.547 272 S HA 0.658 5.127 4.470 -0.000 0.000 0.270 272 S C -0.362 174.239 174.600 0.001 0.000 1.150 272 S CA -0.596 57.600 58.200 -0.006 0.000 0.850 272 S CB 1.220 64.416 63.200 -0.007 0.000 1.118 272 S HN 0.427 nan 8.310 nan 0.000 0.461 273 K N 2.265 122.667 120.400 0.002 0.000 2.098 273 K HA 0.510 4.830 4.320 -0.000 0.000 0.261 273 K C -0.295 176.337 176.600 0.053 0.000 0.987 273 K CA -0.610 55.693 56.287 0.026 0.000 0.916 273 K CB 0.770 33.280 32.500 0.016 0.000 1.039 273 K HN 0.534 nan 8.250 nan 0.000 0.455 274 L N 1.283 122.563 121.223 0.095 0.000 2.476 274 L HA 0.019 4.359 4.340 -0.000 0.000 0.255 274 L C 1.649 178.582 176.870 0.104 0.000 1.218 274 L CA 0.058 54.942 54.840 0.073 0.000 0.819 274 L CB 0.457 42.556 42.059 0.066 0.000 1.119 274 L HN 0.847 nan 8.230 nan 0.000 0.485 275 A N 1.227 124.089 122.820 0.069 0.000 1.902 275 A HA -0.060 4.260 4.320 -0.000 0.000 0.217 275 A C 0.233 177.959 177.584 0.236 0.000 1.181 275 A CA 1.858 53.996 52.037 0.169 0.000 0.623 275 A CB -0.370 18.800 19.000 0.283 0.000 0.818 275 A HN 0.766 nan 8.150 nan 0.000 0.443 276 Y N -5.553 114.839 120.300 0.153 0.000 2.889 276 Y HA 0.558 5.107 4.550 -0.001 0.000 0.379 276 Y C -1.513 174.378 175.900 -0.016 0.000 1.179 276 Y CA -2.048 56.127 58.100 0.125 0.000 1.178 276 Y CB 0.169 38.632 38.460 0.005 0.000 1.460 276 Y HN 0.194 nan 8.280 nan 0.000 0.472 277 L N 2.770 124.049 121.223 0.093 0.000 2.313 277 L HA 0.652 4.992 4.340 -0.000 0.000 0.283 277 L C -1.418 175.415 176.870 -0.061 0.000 1.013 277 L CA -0.437 54.282 54.840 -0.202 0.000 0.816 277 L CB 1.136 42.778 42.059 -0.694 0.000 1.236 277 L HN 0.857 nan 8.230 nan 0.000 0.419 278 H N 4.406 123.393 119.070 -0.137 0.000 2.589 278 H HA 0.699 5.256 4.556 0.000 0.000 0.335 278 H C -1.623 173.504 175.328 -0.335 0.000 1.019 278 H CA -0.704 55.178 56.048 -0.276 0.000 1.213 278 H CB 1.553 31.288 29.762 -0.046 0.000 1.472 278 H HN 0.438 nan 8.280 nan 0.000 0.508 279 V N 4.983 124.738 119.914 -0.265 0.000 2.588 279 V HA 0.301 4.421 4.120 -0.000 0.000 0.304 279 V C 0.094 176.125 176.094 -0.104 0.000 1.042 279 V CA -0.781 61.409 62.300 -0.184 0.000 0.877 279 V CB 2.070 33.842 31.823 -0.086 0.000 0.996 279 V HN 0.846 nan 8.190 nan 0.000 0.425 280 T N 5.407 119.916 114.554 -0.074 0.000 2.799 280 T HA 0.464 4.813 4.350 -0.000 0.000 0.286 280 T C -0.217 174.517 174.700 0.057 0.000 0.973 280 T CA -0.409 61.696 62.100 0.008 0.000 1.035 280 T CB 0.969 69.912 68.868 0.125 0.000 0.932 280 T HN 0.842 nan 8.240 nan 0.000 0.469 281 Q N 2.857 122.697 119.800 0.066 0.000 2.248 281 Q HA 0.632 4.972 4.340 -0.000 0.000 0.263 281 Q C -2.934 173.049 176.000 -0.027 0.000 1.007 281 Q CA -2.551 53.283 55.803 0.051 0.000 0.877 281 Q CB 0.882 29.672 28.738 0.086 0.000 1.315 281 Q HN 0.214 nan 8.270 nan 0.000 0.454 282 P HA 0.177 nan 4.420 nan 0.000 0.271 282 P C -1.223 175.890 177.300 -0.311 0.000 1.218 282 P CA -0.341 62.628 63.100 -0.218 0.000 0.780 282 P CB 0.575 32.165 31.700 -0.185 0.000 0.901 283 R N 2.292 122.522 120.500 -0.449 0.000 2.502 283 R HA 0.376 4.716 4.340 -0.000 0.000 0.298 283 R C -1.701 174.334 176.300 -0.442 0.000 1.018 283 R CA -0.603 55.293 56.100 -0.340 0.000 0.899 283 R CB 0.158 30.329 30.300 -0.214 0.000 1.181 283 R HN 0.375 nan 8.270 nan 0.000 0.444 284 Y N 4.499 124.788 120.300 -0.018 0.000 2.404 284 Y HA 0.229 4.779 4.550 -0.000 0.000 0.344 284 Y C 0.590 176.449 175.900 -0.069 0.000 0.970 284 Y CA -0.879 57.215 58.100 -0.011 0.000 1.180 284 Y CB 1.404 39.878 38.460 0.024 0.000 1.138 284 Y HN 0.386 nan 8.280 nan 0.000 0.510 285 V N 1.273 121.169 119.914 -0.030 0.000 2.585 285 V HA 0.477 4.596 4.120 -0.000 0.000 0.296 285 V C 0.475 176.396 176.094 -0.287 0.000 1.035 285 V CA -0.951 61.225 62.300 -0.205 0.000 1.084 285 V CB 0.240 31.850 31.823 -0.355 0.000 0.953 285 V HN 0.834 nan 8.190 nan 0.000 0.483 286 A N 5.225 127.939 122.820 -0.177 0.000 2.350 286 A HA 0.554 4.874 4.320 -0.000 0.000 0.293 286 A C -0.378 177.130 177.584 -0.126 0.000 1.231 286 A CA -0.405 51.581 52.037 -0.085 0.000 0.883 286 A CB -0.585 18.403 19.000 -0.019 0.000 1.133 286 A HN 0.857 nan 8.150 nan 0.000 0.533 287 Y N 1.682 122.006 120.300 0.041 0.000 2.393 287 Y HA 0.334 4.884 4.550 0.000 0.000 0.338 287 Y C 1.637 177.551 175.900 0.023 0.000 1.029 287 Y CA 0.728 58.847 58.100 0.032 0.000 1.239 287 Y CB 1.256 39.734 38.460 0.031 0.000 1.170 287 Y HN 0.710 nan 8.280 nan 0.000 0.515 288 G N 2.044 110.933 108.800 0.149 0.000 2.712 288 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.212 288 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.212 288 G C 1.123 176.075 174.900 0.087 0.000 1.142 288 G CA 0.134 45.289 45.100 0.092 0.000 0.789 288 G HN 0.794 nan 8.290 nan 0.000 0.535 289 Q N 0.647 120.512 119.800 0.108 0.000 2.451 289 Q HA 0.058 4.397 4.340 -0.000 0.000 0.206 289 Q C 0.885 176.911 176.000 0.043 0.000 0.947 289 Q CA 0.793 56.635 55.803 0.065 0.000 0.937 289 Q CB -0.373 28.400 28.738 0.057 0.000 1.025 289 Q HN 0.359 nan 8.270 nan 0.000 0.511 290 T N -2.553 112.035 114.554 0.057 0.000 2.912 290 T HA 0.288 4.637 4.350 -0.000 0.000 0.280 290 T C 0.378 175.097 174.700 0.032 0.000 0.989 290 T CA -0.610 61.508 62.100 0.030 0.000 0.995 290 T CB 1.662 70.545 68.868 0.025 0.000 1.077 290 T HN 0.025 nan 8.240 nan 0.000 0.531 291 E N 0.889 121.100 120.200 0.018 0.000 2.077 291 E HA 0.103 4.452 4.350 -0.000 0.000 0.193 291 E C 1.726 178.339 176.600 0.022 0.000 0.989 291 E CA 1.479 57.889 56.400 0.017 0.000 0.800 291 E CB -0.264 29.442 29.700 0.009 0.000 0.746 291 E HN 0.792 nan 8.360 nan 0.000 0.452 292 A N -0.118 122.718 122.820 0.026 0.000 2.589 292 A HA 0.432 4.752 4.320 -0.000 0.000 0.283 292 A C 1.814 179.424 177.584 0.043 0.000 1.187 292 A CA 0.309 52.363 52.037 0.028 0.000 0.957 292 A CB -0.097 18.914 19.000 0.018 0.000 1.175 292 A HN 0.254 nan 8.150 nan 0.000 0.532 293 G N 0.369 109.208 108.800 0.065 0.000 2.442 293 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.219 293 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.219 293 G C 1.487 176.431 174.900 0.073 0.000 1.141 293 G CA 1.346 46.507 45.100 0.102 0.000 0.763 293 G HN 0.767 nan 8.290 nan 0.000 0.554 294 R N 0.288 120.820 120.500 0.054 0.000 2.313 294 R HA 0.507 4.847 4.340 -0.000 0.000 0.199 294 R C 1.843 178.160 176.300 0.029 0.000 0.958 294 R CA 0.740 56.863 56.100 0.037 0.000 1.047 294 R CB -0.839 29.479 30.300 0.031 0.000 0.955 294 R HN 0.465 nan 8.270 nan 0.000 0.481 295 L N 0.002 121.243 121.223 0.029 0.000 2.700 295 L HA 0.319 4.659 4.340 -0.000 0.000 0.234 295 L C 1.266 178.149 176.870 0.021 0.000 1.156 295 L CA -0.288 54.565 54.840 0.022 0.000 0.946 295 L CB 0.522 42.592 42.059 0.018 0.000 1.216 295 L HN 0.413 nan 8.230 nan 0.000 0.493 296 G N -0.253 108.563 108.800 0.026 0.000 2.616 296 G HA2 0.289 4.249 3.960 -0.000 0.000 0.268 296 G HA3 0.289 4.249 3.960 -0.000 0.000 0.268 296 G C -0.530 174.384 174.900 0.023 0.000 1.213 296 G CA -0.081 45.033 45.100 0.024 0.000 0.926 296 G HN 0.080 nan 8.290 nan 0.000 0.523 297 S N -1.611 114.103 115.700 0.024 0.000 2.538 297 S HA 0.356 4.826 4.470 -0.000 0.000 0.288 297 S C 0.209 174.833 174.600 0.041 0.000 1.108 297 S CA -0.586 57.630 58.200 0.026 0.000 0.971 297 S CB 2.083 65.295 63.200 0.020 0.000 1.041 297 S HN 0.622 nan 8.310 nan 0.000 0.483 298 E N 2.079 122.304 120.200 0.041 0.000 2.481 298 E HA 0.108 4.458 4.350 -0.000 0.000 0.198 298 E C 1.432 178.061 176.600 0.049 0.000 1.027 298 E CA -0.031 56.401 56.400 0.054 0.000 0.900 298 E CB 0.180 29.896 29.700 0.027 0.000 0.993 298 E HN 0.827 nan 8.360 nan 0.000 0.482 299 E N 1.060 121.283 120.200 0.039 0.000 2.095 299 E HA -0.357 3.992 4.350 -0.000 0.000 0.212 299 E C 1.679 178.304 176.600 0.042 0.000 1.044 299 E CA 1.885 58.306 56.400 0.035 0.000 0.857 299 E CB 0.068 29.785 29.700 0.027 0.000 0.764 299 E HN 0.112 nan 8.360 nan 0.000 0.462 300 E N 0.266 120.494 120.200 0.047 0.000 2.077 300 E HA -0.202 4.147 4.350 -0.000 0.000 0.193 300 E C 1.944 178.586 176.600 0.069 0.000 0.989 300 E CA 1.608 58.039 56.400 0.052 0.000 0.800 300 E CB -0.030 29.700 29.700 0.050 0.000 0.746 300 E HN 0.256 nan 8.360 nan 0.000 0.452 301 E N -0.130 120.123 120.200 0.088 0.000 2.150 301 E HA -0.109 4.241 4.350 -0.000 0.000 0.193 301 E C 1.934 178.583 176.600 0.082 0.000 0.985 301 E CA 0.986 57.445 56.400 0.099 0.000 0.814 301 E CB -0.344 29.428 29.700 0.120 0.000 0.752 301 E HN 0.377 nan 8.360 nan 0.000 0.466 302 A N 1.364 124.225 122.820 0.067 0.000 1.898 302 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 302 A C 2.191 179.807 177.584 0.053 0.000 1.181 302 A CA 1.102 53.177 52.037 0.064 0.000 0.620 302 A CB -0.349 18.681 19.000 0.050 0.000 0.819 302 A HN 0.076 nan 8.150 nan 0.000 0.442 303 R N -0.964 119.562 120.500 0.044 0.000 2.096 303 R HA -0.021 4.319 4.340 -0.000 0.000 0.235 303 R C 2.153 178.472 176.300 0.033 0.000 1.127 303 R CA 1.263 57.381 56.100 0.030 0.000 0.968 303 R CB -0.442 29.875 30.300 0.028 0.000 0.861 303 R HN 0.584 nan 8.270 nan 0.000 0.440 304 L N 0.290 121.544 121.223 0.051 0.000 2.017 304 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 304 L C 2.326 179.236 176.870 0.066 0.000 1.073 304 L CA 1.197 56.073 54.840 0.060 0.000 0.745 304 L CB -0.091 42.014 42.059 0.077 0.000 0.894 304 L HN 0.216 nan 8.230 nan 0.000 0.432 305 M N -0.805 118.849 119.600 0.090 0.000 2.080 305 M HA -0.242 4.238 4.480 -0.000 0.000 0.260 305 M C 2.421 178.704 176.300 -0.028 0.000 1.068 305 M CA 1.591 56.966 55.300 0.124 0.000 1.109 305 M CB -1.278 31.438 32.600 0.194 0.000 1.342 305 M HN 0.195 nan 8.290 nan 0.000 0.405 306 R N 0.179 120.656 120.500 -0.039 0.000 2.096 306 R HA -0.075 4.265 4.340 -0.000 0.000 0.235 306 R C 2.007 178.231 176.300 -0.126 0.000 1.127 306 R CA 2.051 58.084 56.100 -0.111 0.000 0.968 306 R CB -1.012 29.259 30.300 -0.049 0.000 0.861 306 R HN 0.309 nan 8.270 nan 0.000 0.440 307 T N 0.894 115.413 114.554 -0.059 0.000 2.777 307 T HA -0.023 4.327 4.350 -0.000 0.000 0.266 307 T C 1.663 176.337 174.700 -0.044 0.000 1.040 307 T CA 1.419 63.496 62.100 -0.039 0.000 1.141 307 T CB -0.117 68.750 68.868 -0.002 0.000 0.868 307 T HN 0.146 nan 8.240 nan 0.000 0.444 308 L N 0.624 121.829 121.223 -0.031 0.000 2.046 308 L HA -0.045 4.295 4.340 -0.000 0.000 0.208 308 L C 2.957 179.770 176.870 -0.094 0.000 1.077 308 L CA 1.093 55.946 54.840 0.022 0.000 0.747 308 L CB -0.556 41.598 42.059 0.158 0.000 0.896 308 L HN 0.081 nan 8.230 nan 0.000 0.432 309 R N 0.873 121.068 120.500 -0.508 0.000 2.081 309 R HA -0.153 4.187 4.340 -0.000 0.000 0.235 309 R C 1.864 178.013 176.300 -0.252 0.000 1.131 309 R CA 1.631 57.257 56.100 -0.790 0.000 0.960 309 R CB -0.532 28.977 30.300 -1.318 0.000 0.856 309 R HN 0.393 nan 8.270 nan 0.000 0.436 310 N N 0.709 119.298 118.700 -0.184 0.000 2.223 310 N HA -0.102 4.638 4.740 -0.000 0.000 0.185 310 N C 1.489 176.974 175.510 -0.041 0.000 1.016 310 N CA 1.411 54.405 53.050 -0.093 0.000 0.863 310 N CB -0.226 38.217 38.487 -0.073 0.000 0.983 310 N HN 0.314 nan 8.380 nan 0.000 0.429 311 A N -0.465 122.351 122.820 -0.006 0.000 2.016 311 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 311 A C 0.824 178.461 177.584 0.089 0.000 1.162 311 A CA 0.182 52.242 52.037 0.037 0.000 0.662 311 A CB -0.463 18.570 19.000 0.055 0.000 0.812 311 A HN 0.390 nan 8.150 nan 0.000 0.450 312 Y N 1.155 121.455 120.300 0.000 0.000 2.336 312 Y HA 0.330 4.880 4.550 -0.001 0.000 0.335 312 Y C 0.102 176.025 175.900 0.037 0.000 1.046 312 Y CA -0.551 57.575 58.100 0.044 0.000 1.198 312 Y CB 0.519 39.055 38.460 0.127 0.000 1.182 312 Y HN 0.272 nan 8.280 nan 0.000 0.502 313 Q N 5.791 125.161 119.800 -0.715 0.000 2.837 313 Q HA 0.413 4.753 4.340 -0.000 0.000 0.235 313 Q C -0.015 175.435 176.000 -0.916 0.000 1.348 313 Q CA 0.088 55.527 55.803 -0.608 0.000 0.990 313 Q CB 0.316 28.865 28.738 -0.314 0.000 1.570 313 Q HN 0.962 nan 8.270 nan 0.000 0.575 314 G N -0.037 108.297 108.800 -0.777 0.000 2.344 314 G HA2 -0.003 3.956 3.960 -0.000 0.000 0.282 314 G HA3 -0.003 3.956 3.960 -0.000 0.000 0.282 314 G C -0.999 173.977 174.900 0.126 0.000 1.281 314 G CA -0.986 43.914 45.100 -0.333 0.000 0.877 314 G HN 0.155 nan 8.290 nan 0.000 0.494 315 T N 0.805 115.574 114.554 0.357 0.000 2.870 315 T HA 0.468 4.817 4.350 -0.000 0.000 0.300 315 T C -0.928 174.055 174.700 0.472 0.000 0.989 315 T CA 0.605 62.936 62.100 0.386 0.000 1.139 315 T CB 0.524 69.621 68.868 0.382 0.000 0.920 315 T HN 0.530 nan 8.240 nan 0.000 0.537 316 F N 4.202 124.224 119.950 0.120 0.000 2.467 316 F HA 0.616 5.143 4.527 -0.001 0.000 0.336 316 F C -0.830 174.902 175.800 -0.114 0.000 1.123 316 F CA -1.239 56.800 58.000 0.065 0.000 0.964 316 F CB 0.817 39.868 39.000 0.086 0.000 1.136 316 F HN 0.402 nan 8.300 nan 0.000 0.447 317 I N 6.587 126.815 120.570 -0.570 0.000 2.362 317 I HA 0.309 4.479 4.170 -0.000 0.000 0.289 317 I C -0.478 175.239 176.117 -0.666 0.000 0.994 317 I CA -0.848 60.082 61.300 -0.618 0.000 1.158 317 I CB 1.123 38.572 38.000 -0.919 0.000 1.315 317 I HN 0.667 nan 8.210 nan 0.000 0.451 318 C N 2.988 122.006 119.300 -0.470 0.000 2.358 318 C HA 0.899 5.359 4.460 -0.000 0.000 0.354 318 C C 0.235 174.996 174.990 -0.381 0.000 1.183 318 C CA -0.510 58.302 59.018 -0.344 0.000 2.150 318 C CB 1.223 28.840 27.740 -0.203 0.000 2.361 318 C HN 0.832 nan 8.230 nan 0.000 0.535 319 S N -0.269 115.373 115.700 -0.097 0.000 2.565 319 S HA 0.798 5.267 4.470 -0.000 0.000 0.269 319 S C -0.607 174.116 174.600 0.207 0.000 1.153 319 S CA 0.597 58.797 58.200 -0.001 0.000 0.835 319 S CB 1.344 64.556 63.200 0.019 0.000 1.122 319 S HN 2.861 nan 8.310 nan 0.000 0.462 320 G N 1.017 109.924 108.800 0.178 0.000 2.730 320 G HA2 0.450 4.409 3.960 -0.000 0.000 0.644 320 G HA3 0.450 4.409 3.960 -0.000 0.000 0.644 320 G C 0.899 175.764 174.900 -0.059 0.000 1.168 320 G CA 0.437 45.562 45.100 0.043 0.000 1.240 320 G HN 2.108 nan 8.290 nan 0.000 0.551 321 G N -0.133 108.630 108.800 -0.062 0.000 2.160 321 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.251 321 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.251 321 G C 0.502 175.293 174.900 -0.181 0.000 1.008 321 G CA 0.855 45.887 45.100 -0.113 0.000 0.724 321 G HN 1.528 nan 8.290 nan 0.000 0.514 322 Y N 1.208 121.436 120.300 -0.119 0.000 2.336 322 Y HA 0.480 5.030 4.550 0.001 0.000 0.331 322 Y C 1.523 177.485 175.900 0.103 0.000 1.211 322 Y CA 0.784 58.810 58.100 -0.123 0.000 1.346 322 Y CB 1.080 39.280 38.460 -0.434 0.000 1.271 322 Y HN 0.362 nan 8.280 nan 0.000 0.538 323 T N -1.077 113.653 114.554 0.293 0.000 2.883 323 T HA 0.371 4.720 4.350 -0.000 0.000 0.284 323 T C 1.011 175.922 174.700 0.352 0.000 1.041 323 T CA -1.045 61.235 62.100 0.299 0.000 1.007 323 T CB 1.652 70.594 68.868 0.124 0.000 1.220 323 T HN 0.669 nan 8.240 nan 0.000 0.552 324 R N 0.254 120.857 120.500 0.172 0.000 2.080 324 R HA -0.137 4.203 4.340 -0.000 0.000 0.236 324 R C 1.915 178.300 176.300 0.142 0.000 1.137 324 R CA 1.913 58.084 56.100 0.117 0.000 0.943 324 R CB -0.450 29.865 30.300 0.026 0.000 0.846 324 R HN 0.686 nan 8.270 nan 0.000 0.431 325 E N 0.613 120.876 120.200 0.105 0.000 2.077 325 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 325 E C 1.949 178.616 176.600 0.111 0.000 0.989 325 E CA 1.228 57.681 56.400 0.088 0.000 0.800 325 E CB -0.186 29.547 29.700 0.056 0.000 0.746 325 E HN 0.386 nan 8.360 nan 0.000 0.452 326 L N -0.607 120.694 121.223 0.131 0.000 2.156 326 L HA -0.019 4.321 4.340 -0.000 0.000 0.208 326 L C 2.303 179.351 176.870 0.298 0.000 1.095 326 L CA 1.107 56.036 54.840 0.149 0.000 0.770 326 L CB -0.564 41.501 42.059 0.011 0.000 0.914 326 L HN 0.229 nan 8.230 nan 0.000 0.439 327 G N 0.278 109.280 108.800 0.338 0.000 2.402 327 G HA2 -0.186 3.773 3.960 -0.000 0.000 0.216 327 G HA3 -0.186 3.773 3.960 -0.000 0.000 0.216 327 G C 1.602 176.587 174.900 0.141 0.000 1.162 327 G CA 0.489 45.741 45.100 0.252 0.000 0.777 327 G HN 0.241 nan 8.290 nan 0.000 0.539 328 I N 0.549 121.202 120.570 0.138 0.000 2.179 328 I HA -0.161 4.009 4.170 -0.000 0.000 0.242 328 I C 2.690 178.856 176.117 0.081 0.000 1.088 328 I CA 1.597 62.955 61.300 0.096 0.000 1.357 328 I CB -0.181 37.876 38.000 0.094 0.000 1.051 328 I HN 0.331 nan 8.210 nan 0.000 0.409 329 E N 1.433 121.688 120.200 0.092 0.000 2.085 329 E HA -0.278 4.072 4.350 -0.000 0.000 0.194 329 E C 2.243 178.891 176.600 0.080 0.000 0.994 329 E CA 1.477 57.925 56.400 0.079 0.000 0.801 329 E CB -0.070 29.678 29.700 0.080 0.000 0.743 329 E HN 0.479 nan 8.360 nan 0.000 0.453 330 A N 0.628 123.514 122.820 0.111 0.000 1.883 330 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 330 A C 2.428 180.030 177.584 0.030 0.000 1.186 330 A CA 1.730 53.822 52.037 0.091 0.000 0.624 330 A CB -0.718 18.339 19.000 0.096 0.000 0.822 330 A HN 0.249 nan 8.150 nan 0.000 0.444 331 V N -0.393 119.526 119.914 0.009 0.000 2.453 331 V HA -0.149 3.971 4.120 -0.000 0.000 0.247 331 V C 3.010 179.110 176.094 0.009 0.000 1.048 331 V CA 1.662 63.953 62.300 -0.014 0.000 1.049 331 V CB -1.098 30.707 31.823 -0.030 0.000 0.672 331 V HN 0.612 nan 8.190 nan 0.000 0.457 332 A N -0.420 122.416 122.820 0.027 0.000 1.933 332 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 332 A C 2.077 179.676 177.584 0.025 0.000 1.175 332 A CA 1.654 53.709 52.037 0.030 0.000 0.628 332 A CB -0.377 18.646 19.000 0.038 0.000 0.814 332 A HN 0.651 nan 8.150 nan 0.000 0.444 333 Q N -1.566 118.249 119.800 0.025 0.000 2.403 333 Q HA 0.274 4.614 4.340 -0.000 0.000 0.203 333 Q C 1.034 177.038 176.000 0.007 0.000 0.932 333 Q CA 0.311 56.125 55.803 0.019 0.000 0.945 333 Q CB 0.148 28.900 28.738 0.024 0.000 1.045 333 Q HN 0.862 nan 8.270 nan 0.000 0.511 334 G N 1.532 110.335 108.800 0.004 0.000 2.143 334 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.248 334 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.248 334 G C 0.269 175.153 174.900 -0.027 0.000 0.991 334 G CA 0.459 45.554 45.100 -0.009 0.000 0.689 334 G HN 0.321 nan 8.290 nan 0.000 0.522 335 D N 0.176 120.567 120.400 -0.014 0.000 2.277 335 D HA 0.399 5.039 4.640 -0.000 0.000 0.208 335 D C 1.428 177.719 176.300 -0.014 0.000 0.962 335 D CA 1.674 55.658 54.000 -0.027 0.000 0.865 335 D CB 0.243 41.061 40.800 0.029 0.000 0.939 335 D HN 1.152 nan 8.370 nan 0.000 0.510 336 A N -0.191 122.640 122.820 0.019 0.000 2.612 336 A HA 0.374 4.694 4.320 -0.000 0.000 0.293 336 A C -0.278 177.269 177.584 -0.061 0.000 1.075 336 A CA -0.656 51.435 52.037 0.090 0.000 0.680 336 A CB 1.202 20.251 19.000 0.081 0.000 1.279 336 A HN -0.240 nan 8.150 nan 0.000 0.411 337 D N -0.128 120.186 120.400 -0.144 0.000 2.262 337 D HA 0.204 4.844 4.640 -0.000 0.000 0.212 337 D C 0.225 176.198 176.300 -0.546 0.000 0.964 337 D CA 1.225 54.941 54.000 -0.473 0.000 0.875 337 D CB 0.309 40.648 40.800 -0.768 0.000 0.996 337 D HN 0.435 nan 8.370 nan 0.000 0.497 338 L N 0.331 121.308 121.223 -0.411 0.000 2.350 338 L HA 0.501 4.840 4.340 -0.000 0.000 0.260 338 L C -0.940 175.712 176.870 -0.362 0.000 1.015 338 L CA -0.970 53.650 54.840 -0.367 0.000 0.821 338 L CB 3.208 45.037 42.059 -0.383 0.000 1.370 338 L HN -0.368 nan 8.230 nan 0.000 0.416 339 V N 0.428 120.145 119.914 -0.329 0.000 2.483 339 V HA 0.429 4.549 4.120 -0.000 0.000 0.297 339 V C -0.177 175.679 176.094 -0.397 0.000 1.027 339 V CA -0.579 61.434 62.300 -0.477 0.000 0.855 339 V CB 1.819 33.369 31.823 -0.455 0.000 0.995 339 V HN 0.860 nan 8.190 nan 0.000 0.424 340 S N 4.333 119.757 115.700 -0.460 0.000 2.525 340 S HA 0.803 5.272 4.470 -0.000 0.000 0.290 340 S C -1.173 173.243 174.600 -0.306 0.000 1.152 340 S CA -0.571 57.483 58.200 -0.242 0.000 1.072 340 S CB 1.084 64.184 63.200 -0.167 0.000 1.027 340 S HN 0.487 nan 8.310 nan 0.000 0.500 341 Y N 0.655 120.985 120.300 0.051 0.000 2.409 341 Y HA 0.641 5.191 4.550 -0.001 0.000 0.343 341 Y C 1.104 177.066 175.900 0.102 0.000 0.973 341 Y CA -0.613 57.535 58.100 0.081 0.000 1.064 341 Y CB 2.315 40.805 38.460 0.050 0.000 1.207 341 Y HN 0.903 nan 8.280 nan 0.000 0.452 342 G N 1.747 110.626 108.800 0.132 0.000 2.534 342 G HA2 0.042 4.002 3.960 -0.000 0.000 0.224 342 G HA3 0.042 4.002 3.960 -0.000 0.000 0.224 342 G C 1.163 176.009 174.900 -0.090 0.000 1.822 342 G CA -0.275 44.818 45.100 -0.013 0.000 0.805 342 G HN 0.595 nan 8.290 nan 0.000 0.649 343 R N 0.059 120.419 120.500 -0.233 0.000 2.117 343 R HA 0.004 4.343 4.340 -0.000 0.000 0.243 343 R C 2.587 178.738 176.300 -0.249 0.000 1.143 343 R CA 1.120 56.934 56.100 -0.475 0.000 0.968 343 R CB -0.534 29.262 30.300 -0.840 0.000 0.863 343 R HN 0.276 nan 8.270 nan 0.000 0.444 344 L N -0.886 120.316 121.223 -0.035 0.000 2.275 344 L HA -0.114 4.226 4.340 -0.000 0.000 0.215 344 L C 1.879 178.701 176.870 -0.079 0.000 1.119 344 L CA 0.569 55.413 54.840 0.006 0.000 0.790 344 L CB -0.193 41.861 42.059 -0.007 0.000 0.919 344 L HN 0.103 nan 8.230 nan 0.000 0.443 345 F N 0.009 119.869 119.950 -0.150 0.000 2.456 345 F HA -0.025 4.501 4.527 -0.001 0.000 0.298 345 F C 2.144 177.783 175.800 -0.269 0.000 1.104 345 F CA 0.624 58.504 58.000 -0.201 0.000 1.435 345 F CB -0.128 38.782 39.000 -0.151 0.000 1.078 345 F HN -0.068 nan 8.300 nan 0.000 0.546 346 I N -0.676 119.850 120.570 -0.074 0.000 2.202 346 I HA -0.285 3.885 4.170 -0.000 0.000 0.242 346 I C 2.246 178.085 176.117 -0.464 0.000 1.091 346 I CA 1.789 62.985 61.300 -0.173 0.000 1.368 346 I CB -0.436 37.399 38.000 -0.276 0.000 1.058 346 I HN 0.103 nan 8.210 nan 0.000 0.410 347 S N -0.821 114.525 115.700 -0.589 0.000 2.548 347 S HA 0.113 4.583 4.470 -0.000 0.000 0.215 347 S C 0.356 174.662 174.600 -0.490 0.000 0.976 347 S CA -0.286 57.245 58.200 -1.116 0.000 0.908 347 S CB -0.366 62.461 63.200 -0.622 0.000 0.781 347 S HN 0.353 nan 8.310 nan 0.000 0.519 348 N N 2.539 121.056 118.700 -0.306 0.000 2.682 348 N HA 0.343 5.083 4.740 -0.000 0.000 0.252 348 N C -2.315 173.041 175.510 -0.255 0.000 1.081 348 N CA -1.677 51.217 53.050 -0.261 0.000 0.844 348 N CB 2.095 40.425 38.487 -0.262 0.000 1.167 348 N HN 0.063 nan 8.380 nan 0.000 0.523 349 P HA -0.160 nan 4.420 nan 0.000 0.216 349 P C -0.122 177.036 177.300 -0.237 0.000 1.150 349 P CA 1.444 64.315 63.100 -0.382 0.000 0.837 349 P CB 0.145 31.341 31.700 -0.839 0.000 0.786 350 D N -0.341 119.852 120.400 -0.345 0.000 3.072 350 D HA 0.031 4.670 4.640 -0.000 0.000 0.250 350 D C 1.421 177.605 176.300 -0.193 0.000 1.304 350 D CA -0.605 53.339 54.000 -0.094 0.000 0.861 350 D CB -0.637 40.221 40.800 0.096 0.000 1.062 350 D HN -0.010 nan 8.370 nan 0.000 0.481 351 L N 0.305 121.300 121.223 -0.379 0.000 2.042 351 L HA -0.201 4.138 4.340 -0.000 0.000 0.210 351 L C 1.922 178.503 176.870 -0.482 0.000 1.076 351 L CA 1.478 55.955 54.840 -0.604 0.000 0.749 351 L CB -0.280 41.003 42.059 -1.292 0.000 0.893 351 L HN 0.075 nan 8.230 nan 0.000 0.432 352 V N -0.958 118.724 119.914 -0.386 0.000 2.295 352 V HA -0.333 3.787 4.120 -0.000 0.000 0.246 352 V C 2.608 178.648 176.094 -0.090 0.000 1.049 352 V CA 2.006 64.164 62.300 -0.237 0.000 1.024 352 V CB -0.637 31.037 31.823 -0.249 0.000 0.648 352 V HN 0.433 nan 8.190 nan 0.000 0.447 353 M N -0.446 119.097 119.600 -0.095 0.000 2.117 353 M HA -0.132 4.347 4.480 -0.000 0.000 0.262 353 M C 2.408 178.636 176.300 -0.120 0.000 1.065 353 M CA 1.767 57.012 55.300 -0.092 0.000 1.114 353 M CB -0.964 31.615 32.600 -0.035 0.000 1.361 353 M HN 0.311 nan 8.290 nan 0.000 0.408 354 R N -0.347 120.076 120.500 -0.129 0.000 2.096 354 R HA -0.077 4.263 4.340 -0.000 0.000 0.235 354 R C 2.116 178.337 176.300 -0.130 0.000 1.127 354 R CA 1.167 57.190 56.100 -0.128 0.000 0.968 354 R CB -0.370 29.842 30.300 -0.147 0.000 0.861 354 R HN 0.378 nan 8.270 nan 0.000 0.440 355 I N 0.732 121.218 120.570 -0.139 0.000 2.353 355 I HA -0.230 3.940 4.170 -0.000 0.000 0.248 355 I C 2.558 178.655 176.117 -0.033 0.000 1.119 355 I CA 1.051 62.306 61.300 -0.075 0.000 1.417 355 I CB -0.193 37.750 38.000 -0.096 0.000 1.078 355 I HN 0.133 nan 8.210 nan 0.000 0.421 356 K N 1.350 121.656 120.400 -0.157 0.000 2.097 356 K HA -0.125 4.195 4.320 -0.000 0.000 0.206 356 K C 1.903 178.308 176.600 -0.324 0.000 1.049 356 K CA 1.314 57.256 56.287 -0.575 0.000 0.933 356 K CB 0.051 31.985 32.500 -0.942 0.000 0.717 356 K HN 0.294 nan 8.250 nan 0.000 0.442 357 L N 0.384 121.484 121.223 -0.206 0.000 2.567 357 L HA 0.053 4.393 4.340 -0.000 0.000 0.225 357 L C 0.334 177.147 176.870 -0.094 0.000 1.119 357 L CA -0.200 54.556 54.840 -0.139 0.000 0.871 357 L CB -0.280 41.713 42.059 -0.110 0.000 1.036 357 L HN 0.313 nan 8.230 nan 0.000 0.459 358 N N 0.945 119.594 118.700 -0.085 0.000 2.738 358 N HA -0.182 4.558 4.740 -0.000 0.000 0.249 358 N C -0.246 175.233 175.510 -0.053 0.000 1.047 358 N CA 0.694 53.709 53.050 -0.057 0.000 0.707 358 N CB -0.614 37.849 38.487 -0.040 0.000 0.937 358 N HN 0.417 nan 8.380 nan 0.000 0.545 359 A N 0.323 123.106 122.820 -0.063 0.000 2.264 359 A HA 0.757 5.076 4.320 -0.000 0.000 0.304 359 A C -1.954 175.600 177.584 -0.051 0.000 1.100 359 A CA -1.066 50.940 52.037 -0.052 0.000 0.839 359 A CB 0.384 19.351 19.000 -0.054 0.000 1.121 359 A HN 0.308 nan 8.150 nan 0.000 0.496 360 P HA 0.337 nan 4.420 nan 0.000 0.269 360 P C -1.077 176.194 177.300 -0.047 0.000 1.215 360 P CA 0.129 63.208 63.100 -0.036 0.000 0.780 360 P CB 0.350 32.036 31.700 -0.024 0.000 0.898 361 L N 2.437 123.632 121.223 -0.048 0.000 2.329 361 L HA 0.373 4.713 4.340 -0.000 0.000 0.279 361 L C 0.420 177.267 176.870 -0.039 0.000 1.014 361 L CA -1.032 53.772 54.840 -0.060 0.000 0.814 361 L CB 1.190 43.207 42.059 -0.069 0.000 1.257 361 L HN 0.306 nan 8.230 nan 0.000 0.424 362 N N 2.428 121.108 118.700 -0.035 0.000 2.454 362 N HA 0.100 4.840 4.740 -0.000 0.000 0.254 362 N C -0.264 175.244 175.510 -0.002 0.000 1.228 362 N CA 0.078 53.131 53.050 0.005 0.000 0.900 362 N CB 0.860 39.376 38.487 0.048 0.000 1.089 362 N HN 0.464 nan 8.380 nan 0.000 0.449 363 K N 1.287 121.685 120.400 -0.004 0.000 2.202 363 K HA 0.140 4.460 4.320 -0.000 0.000 0.264 363 K C -0.329 176.280 176.600 0.015 0.000 1.010 363 K CA -0.317 55.908 56.287 -0.104 0.000 0.940 363 K CB 0.452 32.870 32.500 -0.136 0.000 0.983 363 K HN 0.495 nan 8.250 nan 0.000 0.475 364 Y N -0.866 119.497 120.300 0.105 0.000 2.457 364 Y HA 0.399 4.949 4.550 -0.000 0.000 0.333 364 Y C -0.379 175.648 175.900 0.212 0.000 1.119 364 Y CA -1.696 56.518 58.100 0.191 0.000 1.143 364 Y CB 0.684 39.261 38.460 0.194 0.000 1.230 364 Y HN 0.403 nan 8.280 nan 0.000 0.469 365 N N 2.212 121.206 118.700 0.490 0.000 2.621 365 N HA 0.187 4.927 4.740 -0.000 0.000 0.237 365 N C 0.734 176.146 175.510 -0.164 0.000 0.997 365 N CA -0.653 52.497 53.050 0.166 0.000 0.918 365 N CB 0.739 39.320 38.487 0.158 0.000 1.122 365 N HN 0.872 nan 8.380 nan 0.000 0.510 366 R N 2.867 123.033 120.500 -0.556 0.000 2.159 366 R HA -0.090 4.250 4.340 -0.000 0.000 0.237 366 R C 0.967 176.861 176.300 -0.675 0.000 1.131 366 R CA 1.503 56.764 56.100 -1.398 0.000 0.982 366 R CB 0.192 30.040 30.300 -0.753 0.000 0.868 366 R HN 0.476 nan 8.270 nan 0.000 0.453 367 K N -0.598 119.645 120.400 -0.262 0.000 2.211 367 K HA -0.092 4.228 4.320 -0.000 0.000 0.204 367 K C 1.258 177.852 176.600 -0.010 0.000 1.047 367 K CA 1.771 58.008 56.287 -0.083 0.000 0.935 367 K CB 0.102 32.586 32.500 -0.027 0.000 0.728 367 K HN 0.365 nan 8.250 nan 0.000 0.452 368 T N -2.065 112.500 114.554 0.019 0.000 3.215 368 T HA 0.160 4.510 4.350 -0.000 0.000 0.271 368 T C 0.995 175.843 174.700 0.246 0.000 1.012 368 T CA -0.460 61.715 62.100 0.125 0.000 0.899 368 T CB -0.079 68.864 68.868 0.125 0.000 1.089 368 T HN -0.137 nan 8.240 nan 0.000 0.552 369 F N 1.586 121.488 119.950 -0.080 0.000 2.146 369 F HA 0.156 4.683 4.527 0.000 0.000 0.298 369 F C 1.027 176.638 175.800 -0.316 0.000 1.096 369 F CA 0.106 57.918 58.000 -0.314 0.000 1.275 369 F CB -0.503 38.051 39.000 -0.743 0.000 1.008 369 F HN 0.322 nan 8.300 nan 0.000 0.480 370 Y N -0.635 119.865 120.300 0.332 0.000 2.660 370 Y HA 0.209 4.759 4.550 -0.001 0.000 0.254 370 Y C 1.078 177.081 175.900 0.172 0.000 1.176 370 Y CA -1.133 57.116 58.100 0.248 0.000 1.195 370 Y CB -1.164 37.512 38.460 0.359 0.000 1.190 370 Y HN -0.184 nan 8.280 nan 0.000 0.535 371 T N -2.563 112.124 114.554 0.221 0.000 2.788 371 T HA 0.180 4.530 4.350 -0.000 0.000 0.280 371 T C 0.821 175.546 174.700 0.042 0.000 0.984 371 T CA -0.458 61.720 62.100 0.131 0.000 0.972 371 T CB 1.161 70.082 68.868 0.088 0.000 1.039 371 T HN -0.021 nan 8.240 nan 0.000 0.530 372 Q N -0.495 119.304 119.800 -0.002 0.000 2.282 372 Q HA 0.272 4.612 4.340 -0.000 0.000 0.206 372 Q C -0.084 175.835 176.000 -0.135 0.000 0.878 372 Q CA 0.013 55.760 55.803 -0.095 0.000 0.944 372 Q CB -0.133 28.525 28.738 -0.134 0.000 1.100 372 Q HN 0.798 nan 8.270 nan 0.000 0.509 373 D N 1.190 121.538 120.400 -0.087 0.000 2.455 373 D HA -0.036 4.604 4.640 -0.000 0.000 0.241 373 D C -1.351 174.891 176.300 -0.096 0.000 1.138 373 D CA -1.090 52.870 54.000 -0.068 0.000 0.877 373 D CB 1.068 41.856 40.800 -0.021 0.000 1.187 373 D HN 0.008 nan 8.370 nan 0.000 0.451 374 P HA -0.080 nan 4.420 nan 0.000 0.233 374 P C 0.586 177.977 177.300 0.151 0.000 1.167 374 P CA 0.545 63.643 63.100 -0.003 0.000 0.770 374 P CB 0.531 32.235 31.700 0.008 0.000 0.837 375 V N -1.216 118.764 119.914 0.110 0.000 3.029 375 V HA 0.048 4.168 4.120 -0.000 0.000 0.230 375 V C 1.076 177.240 176.094 0.117 0.000 1.254 375 V CA 0.191 62.573 62.300 0.135 0.000 1.276 375 V CB -0.084 31.784 31.823 0.075 0.000 1.080 375 V HN -0.267 nan 8.190 nan 0.000 0.495 376 V N 2.868 122.817 119.914 0.058 0.000 2.452 376 V HA 0.370 4.490 4.120 -0.000 0.000 0.286 376 V C 1.473 177.592 176.094 0.043 0.000 0.995 376 V CA 1.504 63.816 62.300 0.019 0.000 1.116 376 V CB -0.465 31.360 31.823 0.003 0.000 0.954 376 V HN 0.841 nan 8.190 nan 0.000 0.473 377 G N 3.844 112.625 108.800 -0.031 0.000 2.148 377 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.254 377 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.254 377 G C 0.241 175.334 174.900 0.321 0.000 0.981 377 G CA 0.823 45.934 45.100 0.017 0.000 0.670 377 G HN 0.828 nan 8.290 nan 0.000 0.528 378 Y N 0.060 120.422 120.300 0.103 0.000 3.011 378 Y HA 0.257 4.807 4.550 0.000 0.000 0.231 378 Y C 2.484 178.542 175.900 0.262 0.000 0.983 378 Y CA 2.107 60.299 58.100 0.153 0.000 1.429 378 Y CB 0.218 38.683 38.460 0.008 0.000 1.491 378 Y HN 0.455 nan 8.280 nan 0.000 0.444 379 T N -2.250 112.418 114.554 0.190 0.000 3.084 379 T HA 0.149 4.499 4.350 -0.000 0.000 0.270 379 T C 0.259 175.029 174.700 0.117 0.000 1.008 379 T CA 0.368 62.533 62.100 0.108 0.000 0.900 379 T CB -0.117 68.810 68.868 0.098 0.000 1.084 379 T HN 0.368 nan 8.240 nan 0.000 0.538 380 D N -0.175 120.270 120.400 0.074 0.000 2.368 380 D HA 0.065 4.705 4.640 -0.000 0.000 0.218 380 D C -0.357 175.927 176.300 -0.026 0.000 1.112 380 D CA -0.639 53.370 54.000 0.016 0.000 0.834 380 D CB -0.657 40.126 40.800 -0.028 0.000 0.953 380 D HN 0.390 nan 8.370 nan 0.000 0.505 381 Y N 2.077 122.391 120.300 0.024 0.000 2.377 381 Y HA 0.281 4.830 4.550 -0.001 0.000 0.330 381 Y C -1.658 174.208 175.900 -0.056 0.000 1.108 381 Y CA -1.898 56.196 58.100 -0.010 0.000 1.308 381 Y CB 0.645 39.090 38.460 -0.026 0.000 1.216 381 Y HN -0.043 nan 8.280 nan 0.000 0.518 382 P HA 0.122 nan 4.420 nan 0.000 0.278 382 P C -0.905 176.406 177.300 0.018 0.000 1.238 382 P CA -0.132 63.031 63.100 0.105 0.000 0.794 382 P CB 0.844 32.609 31.700 0.108 0.000 0.955 383 F N 0.474 120.449 119.950 0.043 0.000 2.378 383 F HA 0.230 4.757 4.527 -0.000 0.000 0.319 383 F C 1.376 177.181 175.800 0.008 0.000 1.155 383 F CA -0.518 57.494 58.000 0.019 0.000 1.157 383 F CB 0.170 39.178 39.000 0.013 0.000 1.252 383 F HN 0.100 nan 8.300 nan 0.000 0.550 384 L N 1.989 123.330 121.223 0.197 0.000 2.525 384 L HA 0.123 4.462 4.340 -0.000 0.000 0.278 384 L C 0.714 177.644 176.870 0.099 0.000 1.218 384 L CA -0.001 54.898 54.840 0.099 0.000 0.878 384 L CB 0.121 42.217 42.059 0.061 0.000 1.127 384 L HN 0.800 nan 8.230 nan 0.000 0.492 385 Q N 0.000 119.837 119.800 0.062 0.000 2.315 385 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 385 Q CA 0.000 55.830 55.803 0.046 0.000 1.022 385 Q CB 0.000 28.759 28.738 0.035 0.000 1.108 385 Q HN 0.000 nan 8.270 nan 0.000 0.481