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 1b26_1_B DATA FIRST_RESID 4 DATA SEQUENCE SLYEMAVEQF NRAASLMDLE SDLAEVLRRP KRVLIVEFPV RMDDGHVEVF DATA SEQUENCE TGYRVQHNVA RGPAKGGIRY HPDVTLDEVK ALAFWMTWKT AVMNLPFGGG DATA SEQUENCE KGGVRVDPKK LSRNELERLS RRFFSEIQVI IGPYNDIPAP DVNTNADVIA DATA SEQUENCE WYMDTYSMNV GHTVLGIVTG KPVELGGSKG REEATGRGVK VCAGLAMDVL DATA SEQUENCE GIDPKKATVA VQGFGNVGQF AALLISQELG SKVVAVSDSR GGIYNPEGFD DATA SEQUENCE VEELIRYKKE HGTVVTYPKG ERITNEELLE LDVDILVPAA LEGAIHAGNA DATA SEQUENCE ERIKAKAVVE GANGPTTPEA DEILSRRGIL VVPDILANAG GVTVSYFEWV DATA SEQUENCE QDLQSFFWDL DQVRNALEKM MKGAFNDVMK VKEKYNVDMR TAAYILAIDR DATA SEQUENCE VAYATKKRG 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.616 174.600 0.027 0.000 1.055 4 S CA 0.000 58.215 58.200 0.024 0.000 1.107 4 S CB 0.000 63.223 63.200 0.038 0.000 0.593 5 L N 0.822 122.076 121.223 0.051 0.000 2.043 5 L HA 0.017 4.357 4.340 -0.000 0.000 0.212 5 L C 2.079 178.978 176.870 0.049 0.000 1.075 5 L CA 2.314 57.197 54.840 0.072 0.000 0.752 5 L CB -1.248 40.870 42.059 0.099 0.000 0.891 5 L HN 0.858 nan 8.230 nan 0.000 0.432 6 Y N 0.737 120.974 120.300 -0.105 0.000 2.114 6 Y HA -0.239 4.311 4.550 -0.000 0.000 0.284 6 Y C 2.444 178.175 175.900 -0.282 0.000 1.143 6 Y CA 2.193 60.158 58.100 -0.225 0.000 1.135 6 Y CB -0.445 37.891 38.460 -0.207 0.000 0.980 6 Y HN 0.377 nan 8.280 nan 0.000 0.499 7 E N -0.270 119.784 120.200 -0.244 0.000 2.130 7 E HA -0.280 4.070 4.350 -0.000 0.000 0.196 7 E C 2.187 178.614 176.600 -0.289 0.000 0.998 7 E CA 1.813 58.026 56.400 -0.313 0.000 0.806 7 E CB -0.289 29.342 29.700 -0.114 0.000 0.738 7 E HN 0.571 nan 8.360 nan 0.000 0.459 8 M N 0.167 119.664 119.600 -0.171 0.000 2.132 8 M HA -0.140 4.340 4.480 -0.000 0.000 0.263 8 M C 2.515 178.745 176.300 -0.117 0.000 1.065 8 M CA 1.373 56.620 55.300 -0.089 0.000 1.122 8 M CB -0.213 32.392 32.600 0.009 0.000 1.365 8 M HN 0.140 nan 8.290 nan 0.000 0.411 9 A N 0.012 122.691 122.820 -0.235 0.000 1.877 9 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 9 A C 2.220 179.440 177.584 -0.606 0.000 1.186 9 A CA 1.693 53.484 52.037 -0.409 0.000 0.620 9 A CB -1.053 17.408 19.000 -0.898 0.000 0.822 9 A HN 0.296 nan 8.150 nan 0.000 0.443 10 V N 0.054 119.432 119.914 -0.893 0.000 2.332 10 V HA -0.299 3.821 4.120 -0.000 0.000 0.248 10 V C 2.483 178.443 176.094 -0.222 0.000 1.055 10 V CA 2.357 64.215 62.300 -0.736 0.000 1.038 10 V CB -0.813 30.520 31.823 -0.817 0.000 0.651 10 V HN 0.750 nan 8.190 nan 0.000 0.450 11 E N -0.152 119.927 120.200 -0.203 0.000 2.058 11 E HA -0.294 4.056 4.350 -0.000 0.000 0.194 11 E C 2.342 178.899 176.600 -0.072 0.000 0.997 11 E CA 1.701 58.042 56.400 -0.098 0.000 0.801 11 E CB -0.099 29.552 29.700 -0.083 0.000 0.746 11 E HN 0.684 nan 8.360 nan 0.000 0.450 12 Q N -0.549 119.210 119.800 -0.069 0.000 2.124 12 Q HA -0.189 4.151 4.340 -0.000 0.000 0.202 12 Q C 2.088 177.973 176.000 -0.191 0.000 0.977 12 Q CA 1.502 57.236 55.803 -0.113 0.000 0.850 12 Q CB -0.271 28.428 28.738 -0.065 0.000 0.901 12 Q HN 0.371 nan 8.270 nan 0.000 0.429 13 F N 2.250 122.043 119.950 -0.261 0.000 2.102 13 F HA -0.216 4.311 4.527 -0.000 0.000 0.298 13 F C 1.773 177.452 175.800 -0.201 0.000 1.105 13 F CA 1.339 59.181 58.000 -0.264 0.000 1.239 13 F CB -0.281 38.691 39.000 -0.047 0.000 0.991 13 F HN 0.015 nan 8.300 nan 0.000 0.474 14 N N 1.024 119.634 118.700 -0.150 0.000 2.137 14 N HA -0.202 4.538 4.740 -0.000 0.000 0.190 14 N C 1.879 177.220 175.510 -0.281 0.000 1.017 14 N CA 1.634 54.542 53.050 -0.236 0.000 0.859 14 N CB -0.436 38.024 38.487 -0.045 0.000 1.002 14 N HN 0.458 nan 8.380 nan 0.000 0.428 15 R N 0.959 121.328 120.500 -0.219 0.000 2.103 15 R HA -0.077 4.263 4.340 -0.000 0.000 0.234 15 R C 2.327 178.493 176.300 -0.223 0.000 1.132 15 R CA 1.696 57.690 56.100 -0.176 0.000 0.925 15 R CB -0.633 29.586 30.300 -0.135 0.000 0.842 15 R HN 0.189 nan 8.270 nan 0.000 0.430 16 A N 1.299 123.948 122.820 -0.286 0.000 1.940 16 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 16 A C 2.391 179.748 177.584 -0.378 0.000 1.176 16 A CA 1.747 53.601 52.037 -0.306 0.000 0.631 16 A CB -0.682 18.149 19.000 -0.281 0.000 0.814 16 A HN 0.469 nan 8.150 nan 0.000 0.446 17 A N -0.679 121.810 122.820 -0.552 0.000 2.019 17 A HA -0.033 4.287 4.320 -0.000 0.000 0.219 17 A C 2.363 179.783 177.584 -0.272 0.000 1.164 17 A CA 1.957 53.671 52.037 -0.539 0.000 0.644 17 A CB -0.601 17.871 19.000 -0.879 0.000 0.805 17 A HN 0.458 nan 8.150 nan 0.000 0.449 18 S N -0.205 115.366 115.700 -0.215 0.000 2.414 18 S HA 0.034 4.504 4.470 -0.000 0.000 0.227 18 S C 1.662 176.225 174.600 -0.062 0.000 1.022 18 S CA 0.569 58.701 58.200 -0.112 0.000 0.958 18 S CB -0.168 62.977 63.200 -0.092 0.000 0.797 18 S HN 0.407 nan 8.310 nan 0.000 0.493 19 L N 1.617 122.795 121.223 -0.075 0.000 2.131 19 L HA 0.081 4.421 4.340 -0.000 0.000 0.210 19 L C 1.056 178.008 176.870 0.136 0.000 1.092 19 L CA 1.361 56.213 54.840 0.019 0.000 0.759 19 L CB -1.107 40.920 42.059 -0.054 0.000 0.903 19 L HN 0.511 nan 8.230 nan 0.000 0.435 20 M N -2.135 117.488 119.600 0.040 0.000 2.508 20 M HA 0.352 4.832 4.480 -0.000 0.000 0.327 20 M C -0.620 175.704 176.300 0.040 0.000 1.160 20 M CA -0.537 54.832 55.300 0.115 0.000 0.980 20 M CB 1.754 34.381 32.600 0.044 0.000 1.693 20 M HN -0.129 nan 8.290 nan 0.000 0.452 21 D N 3.562 123.997 120.400 0.058 0.000 2.541 21 D HA 0.213 4.853 4.640 -0.000 0.000 0.231 21 D C -0.950 175.368 176.300 0.031 0.000 1.163 21 D CA 0.188 54.208 54.000 0.033 0.000 1.077 21 D CB 0.357 41.177 40.800 0.033 0.000 1.110 21 D HN 0.367 nan 8.370 nan 0.000 0.499 22 L N 2.036 123.266 121.223 0.012 0.000 2.276 22 L HA 0.160 4.500 4.340 -0.000 0.000 0.286 22 L C 0.092 176.983 176.870 0.036 0.000 1.061 22 L CA -0.552 54.303 54.840 0.025 0.000 0.807 22 L CB 1.124 43.182 42.059 -0.001 0.000 1.177 22 L HN 0.007 nan 8.230 nan 0.000 0.429 23 E N 2.440 122.671 120.200 0.052 0.000 2.493 23 E HA -0.035 4.315 4.350 -0.000 0.000 0.255 23 E C 1.186 177.821 176.600 0.059 0.000 0.999 23 E CA 0.637 57.068 56.400 0.050 0.000 0.934 23 E CB 0.732 30.464 29.700 0.052 0.000 0.940 23 E HN 0.691 nan 8.360 nan 0.000 0.473 24 S N 3.676 119.405 115.700 0.048 0.000 2.369 24 S HA -0.260 4.210 4.470 -0.000 0.000 0.225 24 S C 1.536 176.175 174.600 0.066 0.000 1.043 24 S CA 1.980 60.213 58.200 0.055 0.000 1.074 24 S CB -0.226 62.998 63.200 0.039 0.000 0.962 24 S HN 0.780 nan 8.310 nan 0.000 0.433 25 D N 0.872 121.304 120.400 0.054 0.000 2.182 25 D HA -0.157 4.483 4.640 -0.000 0.000 0.201 25 D C 2.030 178.368 176.300 0.064 0.000 0.986 25 D CA 1.109 55.140 54.000 0.051 0.000 0.847 25 D CB -0.730 40.093 40.800 0.038 0.000 0.942 25 D HN 0.480 nan 8.370 nan 0.000 0.467 26 L N 0.969 122.237 121.223 0.074 0.000 2.072 26 L HA 0.123 4.463 4.340 -0.000 0.000 0.205 26 L C 2.580 179.529 176.870 0.132 0.000 1.079 26 L CA 1.756 56.650 54.840 0.090 0.000 0.752 26 L CB -0.899 41.215 42.059 0.091 0.000 0.906 26 L HN 0.092 nan 8.230 nan 0.000 0.436 27 A N -0.623 122.296 122.820 0.165 0.000 1.917 27 A HA -0.308 4.012 4.320 -0.000 0.000 0.219 27 A C 2.230 179.943 177.584 0.215 0.000 1.182 27 A CA 1.990 54.191 52.037 0.274 0.000 0.633 27 A CB -0.787 18.378 19.000 0.275 0.000 0.819 27 A HN 0.533 nan 8.150 nan 0.000 0.448 28 E N -0.048 120.236 120.200 0.139 0.000 2.085 28 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 28 E C 2.010 178.653 176.600 0.072 0.000 0.994 28 E CA 1.803 58.260 56.400 0.095 0.000 0.801 28 E CB -0.532 29.210 29.700 0.069 0.000 0.743 28 E HN 0.632 nan 8.360 nan 0.000 0.453 29 V N -1.166 118.788 119.914 0.067 0.000 2.515 29 V HA -0.132 3.988 4.120 -0.000 0.000 0.250 29 V C 2.153 178.263 176.094 0.026 0.000 1.058 29 V CA 1.523 63.843 62.300 0.033 0.000 1.064 29 V CB -0.587 31.251 31.823 0.026 0.000 0.675 29 V HN 0.233 nan 8.190 nan 0.000 0.461 30 L N -0.550 120.727 121.223 0.090 0.000 2.240 30 L HA 0.035 4.375 4.340 -0.000 0.000 0.211 30 L C 3.020 179.989 176.870 0.166 0.000 1.106 30 L CA 1.300 56.226 54.840 0.143 0.000 0.793 30 L CB -0.487 41.745 42.059 0.287 0.000 0.927 30 L HN 0.274 nan 8.230 nan 0.000 0.446 31 R N 0.039 120.577 120.500 0.064 0.000 2.055 31 R HA 0.027 4.367 4.340 -0.000 0.000 0.226 31 R C 0.734 177.242 176.300 0.347 0.000 1.135 31 R CA 0.446 56.627 56.100 0.134 0.000 0.959 31 R CB -0.101 30.176 30.300 -0.039 0.000 0.854 31 R HN 0.253 nan 8.270 nan 0.000 0.431 32 R N 1.918 122.520 120.500 0.171 0.000 2.489 32 R HA 0.122 4.462 4.340 -0.000 0.000 0.287 32 R C -2.355 173.955 176.300 0.017 0.000 1.053 32 R CA -1.561 54.616 56.100 0.128 0.000 1.036 32 R CB 0.147 30.476 30.300 0.048 0.000 0.966 32 R HN 0.013 nan 8.270 nan 0.000 0.432 33 P HA 0.039 nan 4.420 nan 0.000 0.276 33 P C 0.058 177.296 177.300 -0.103 0.000 1.230 33 P CA -0.288 62.783 63.100 -0.049 0.000 0.776 33 P CB 0.972 32.694 31.700 0.036 0.000 0.888 34 K N 3.275 123.586 120.400 -0.147 0.000 1.985 34 K HA -0.085 4.235 4.320 -0.000 0.000 0.210 34 K C 0.255 176.816 176.600 -0.066 0.000 1.047 34 K CA 1.387 57.612 56.287 -0.103 0.000 0.932 34 K CB 0.166 32.600 32.500 -0.110 0.000 0.716 34 K HN 0.394 nan 8.250 nan 0.000 0.439 35 R N -0.286 120.179 120.500 -0.059 0.000 2.744 35 R HA 0.447 4.787 4.340 -0.000 0.000 0.279 35 R C -1.616 174.663 176.300 -0.034 0.000 0.977 35 R CA -0.827 55.247 56.100 -0.043 0.000 0.906 35 R CB 2.719 32.994 30.300 -0.042 0.000 1.197 35 R HN -0.103 nan 8.270 nan 0.000 0.463 36 V N 3.556 123.456 119.914 -0.024 0.000 2.488 36 V HA 0.301 4.421 4.120 -0.000 0.000 0.293 36 V C -1.251 174.858 176.094 0.025 0.000 1.027 36 V CA -0.736 61.559 62.300 -0.009 0.000 0.862 36 V CB 1.840 33.640 31.823 -0.038 0.000 1.008 36 V HN 0.486 nan 8.190 nan 0.000 0.428 37 L N 6.839 128.097 121.223 0.057 0.000 2.305 37 L HA 0.695 5.035 4.340 -0.000 0.000 0.284 37 L C -0.679 176.292 176.870 0.167 0.000 1.013 37 L CA 0.102 54.987 54.840 0.076 0.000 0.819 37 L CB 1.280 43.357 42.059 0.029 0.000 1.227 37 L HN 0.552 nan 8.230 nan 0.000 0.417 38 I N 6.228 126.899 120.570 0.169 0.000 2.389 38 I HA 0.496 4.666 4.170 -0.000 0.000 0.288 38 I C -0.712 175.495 176.117 0.151 0.000 0.999 38 I CA -0.915 60.522 61.300 0.228 0.000 1.129 38 I CB 1.824 39.972 38.000 0.247 0.000 1.288 38 I HN 0.437 nan 8.210 nan 0.000 0.444 39 V N 2.541 122.555 119.914 0.167 0.000 2.656 39 V HA 0.601 4.721 4.120 -0.000 0.000 0.307 39 V C -0.609 175.606 176.094 0.202 0.000 1.051 39 V CA -0.598 61.825 62.300 0.206 0.000 0.893 39 V CB 2.137 34.130 31.823 0.283 0.000 0.999 39 V HN 0.567 nan 8.190 nan 0.000 0.426 40 E N 4.766 125.048 120.200 0.137 0.000 2.101 40 E HA 0.461 4.811 4.350 -0.000 0.000 0.260 40 E C -1.189 175.462 176.600 0.084 0.000 0.897 40 E CA -0.004 56.395 56.400 -0.002 0.000 0.744 40 E CB 1.758 31.441 29.700 -0.027 0.000 1.140 40 E HN 0.789 nan 8.360 nan 0.000 0.419 41 F N 0.778 120.778 119.950 0.084 0.000 2.508 41 F HA 0.725 5.252 4.527 -0.000 0.000 0.325 41 F C -2.741 173.132 175.800 0.120 0.000 1.090 41 F CA -3.314 54.744 58.000 0.098 0.000 0.945 41 F CB 1.135 40.211 39.000 0.126 0.000 1.156 41 F HN -0.004 nan 8.300 nan 0.000 0.463 42 P HA 0.421 nan 4.420 nan 0.000 0.278 42 P C -1.169 176.281 177.300 0.251 0.000 1.238 42 P CA -0.491 62.695 63.100 0.144 0.000 0.794 42 P CB 1.745 33.501 31.700 0.093 0.000 0.955 43 V N 2.659 122.698 119.914 0.207 0.000 2.668 43 V HA 0.376 4.496 4.120 -0.000 0.000 0.304 43 V C 0.024 176.159 176.094 0.068 0.000 1.071 43 V CA -0.777 61.639 62.300 0.193 0.000 0.894 43 V CB 2.006 34.001 31.823 0.287 0.000 1.008 43 V HN 0.433 nan 8.190 nan 0.000 0.425 44 R N 5.149 125.658 120.500 0.015 0.000 2.248 44 R HA 0.441 4.781 4.340 -0.000 0.000 0.328 44 R C -0.102 176.150 176.300 -0.080 0.000 1.067 44 R CA -0.482 55.590 56.100 -0.045 0.000 0.924 44 R CB 0.444 30.728 30.300 -0.027 0.000 1.013 44 R HN 0.602 nan 8.270 nan 0.000 0.454 45 M N 2.920 122.412 119.600 -0.179 0.000 2.228 45 M HA 0.019 4.499 4.480 -0.000 0.000 0.326 45 M C 0.994 177.244 176.300 -0.083 0.000 1.122 45 M CA 0.116 55.314 55.300 -0.169 0.000 1.161 45 M CB 0.632 33.003 32.600 -0.382 0.000 1.437 45 M HN 0.626 nan 8.290 nan 0.000 0.465 46 D N 1.360 121.739 120.400 -0.036 0.000 2.172 46 D HA -0.176 4.464 4.640 -0.000 0.000 0.196 46 D C 0.723 177.031 176.300 0.013 0.000 0.999 46 D CA 1.516 55.510 54.000 -0.010 0.000 0.856 46 D CB -0.021 40.779 40.800 -0.000 0.000 0.934 46 D HN 0.626 nan 8.370 nan 0.000 0.453 47 D N -0.742 119.687 120.400 0.048 0.000 2.519 47 D HA 0.091 4.731 4.640 -0.000 0.000 0.238 47 D C 1.358 177.714 176.300 0.093 0.000 1.192 47 D CA 0.532 54.582 54.000 0.083 0.000 0.835 47 D CB -0.169 40.707 40.800 0.127 0.000 0.975 47 D HN 0.207 nan 8.370 nan 0.000 0.490 48 G N 1.625 110.450 108.800 0.041 0.000 2.228 48 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.270 48 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.270 48 G C 0.399 175.333 174.900 0.056 0.000 0.976 48 G CA 0.856 45.977 45.100 0.035 0.000 0.636 48 G HN 0.845 nan 8.290 nan 0.000 0.542 49 H N 0.035 119.106 119.070 0.001 0.000 2.502 49 H HA 0.628 5.184 4.556 -0.000 0.000 0.327 49 H C 0.005 175.334 175.328 0.002 0.000 1.099 49 H CA -0.357 55.688 56.048 -0.004 0.000 1.323 49 H CB 1.478 31.232 29.762 -0.014 0.000 1.450 49 H HN 0.095 nan 8.280 nan 0.000 0.502 50 V N 3.405 123.299 119.914 -0.033 0.000 2.649 50 V HA 0.138 4.258 4.120 -0.000 0.000 0.292 50 V C 0.482 176.531 176.094 -0.075 0.000 1.055 50 V CA -0.188 62.066 62.300 -0.077 0.000 1.023 50 V CB 0.986 32.806 31.823 -0.005 0.000 0.992 50 V HN 0.891 nan 8.190 nan 0.000 0.480 51 E N 2.486 122.612 120.200 -0.123 0.000 2.263 51 E HA 0.542 4.892 4.350 -0.000 0.000 0.268 51 E C -1.616 174.818 176.600 -0.277 0.000 0.884 51 E CA -0.573 55.709 56.400 -0.197 0.000 0.766 51 E CB 2.171 31.715 29.700 -0.259 0.000 1.196 51 E HN 0.480 nan 8.360 nan 0.000 0.416 52 V N 4.586 124.282 119.914 -0.364 0.000 2.509 52 V HA 0.440 4.560 4.120 -0.000 0.000 0.284 52 V C -0.391 175.298 176.094 -0.676 0.000 1.047 52 V CA -0.226 61.855 62.300 -0.364 0.000 0.952 52 V CB 0.370 32.052 31.823 -0.236 0.000 0.988 52 V HN 0.523 nan 8.190 nan 0.000 0.469 53 F N 0.836 120.396 119.950 -0.649 0.000 2.579 53 F HA 0.601 5.128 4.527 -0.000 0.000 0.324 53 F C 0.579 175.889 175.800 -0.817 0.000 1.058 53 F CA -0.648 56.916 58.000 -0.726 0.000 0.944 53 F CB 2.101 40.614 39.000 -0.812 0.000 1.245 53 F HN 0.324 nan 8.300 nan 0.000 0.477 54 T N 1.114 115.474 114.554 -0.323 0.000 2.771 54 T HA 0.661 5.011 4.350 -0.000 0.000 0.281 54 T C 0.002 174.507 174.700 -0.325 0.000 0.982 54 T CA -0.738 61.175 62.100 -0.312 0.000 0.978 54 T CB 1.168 69.867 68.868 -0.282 0.000 0.930 54 T HN 0.853 nan 8.240 nan 0.000 0.447 55 G N 1.909 110.611 108.800 -0.163 0.000 2.563 55 G HA2 0.725 4.685 3.960 -0.000 0.000 0.302 55 G HA3 0.725 4.685 3.960 -0.000 0.000 0.302 55 G C -1.901 172.954 174.900 -0.075 0.000 1.301 55 G CA -0.732 44.346 45.100 -0.036 0.000 0.965 55 G HN 0.628 nan 8.290 nan 0.000 0.480 56 Y N -0.479 120.023 120.300 0.338 0.000 2.581 56 Y HA 0.824 5.374 4.550 -0.000 0.000 0.345 56 Y C 0.108 176.165 175.900 0.263 0.000 1.036 56 Y CA -1.286 56.959 58.100 0.242 0.000 1.042 56 Y CB 2.955 41.500 38.460 0.142 0.000 1.289 56 Y HN 0.601 nan 8.280 nan 0.000 0.471 57 R N 0.820 121.506 120.500 0.310 0.000 2.542 57 R HA 0.684 5.024 4.340 -0.000 0.000 0.284 57 R C -2.656 173.690 176.300 0.077 0.000 1.167 57 R CA -0.454 55.739 56.100 0.155 0.000 1.000 57 R CB 1.436 31.754 30.300 0.029 0.000 1.229 57 R HN 0.539 nan 8.270 nan 0.000 0.416 58 V N 4.964 124.906 119.914 0.047 0.000 2.540 58 V HA 0.488 4.608 4.120 -0.000 0.000 0.302 58 V C -0.515 175.574 176.094 -0.008 0.000 1.035 58 V CA -0.699 61.605 62.300 0.008 0.000 0.873 58 V CB 1.964 33.782 31.823 -0.008 0.000 0.992 58 V HN 0.680 nan 8.190 nan 0.000 0.428 59 Q N 3.243 123.029 119.800 -0.023 0.000 2.425 59 Q HA 0.326 4.666 4.340 -0.000 0.000 0.254 59 Q C 0.675 176.663 176.000 -0.021 0.000 1.032 59 Q CA -0.479 55.302 55.803 -0.036 0.000 0.798 59 Q CB 1.318 30.018 28.738 -0.062 0.000 1.210 59 Q HN 0.845 nan 8.270 nan 0.000 0.491 60 H N 2.958 121.971 119.070 -0.094 0.000 2.276 60 H HA -0.005 4.551 4.556 -0.000 0.000 0.301 60 H C -0.239 175.023 175.328 -0.111 0.000 1.073 60 H CA 1.352 57.345 56.048 -0.091 0.000 1.311 60 H CB 0.777 30.471 29.762 -0.113 0.000 1.379 60 H HN 0.490 nan 8.280 nan 0.000 0.494 61 N N -0.916 117.659 118.700 -0.209 0.000 2.324 61 N HA 0.164 4.904 4.740 -0.000 0.000 0.285 61 N C -0.557 174.876 175.510 -0.128 0.000 1.076 61 N CA -0.378 52.526 53.050 -0.243 0.000 0.864 61 N CB 2.219 40.533 38.487 -0.289 0.000 1.632 61 N HN -0.043 nan 8.380 nan 0.000 0.478 62 V N 2.213 122.069 119.914 -0.096 0.000 3.477 62 V HA 0.305 4.425 4.120 -0.000 0.000 0.297 62 V C 1.743 177.820 176.094 -0.029 0.000 1.433 62 V CA 0.629 62.898 62.300 -0.052 0.000 1.052 62 V CB -0.111 31.688 31.823 -0.040 0.000 0.895 62 V HN 0.798 nan 8.190 nan 0.000 0.438 63 A N 1.416 124.213 122.820 -0.038 0.000 1.903 63 A HA -0.252 4.068 4.320 -0.000 0.000 0.219 63 A C 2.291 179.877 177.584 0.003 0.000 1.191 63 A CA 2.098 54.126 52.037 -0.015 0.000 0.638 63 A CB -0.360 18.636 19.000 -0.008 0.000 0.823 63 A HN 0.500 nan 8.150 nan 0.000 0.451 64 R N -1.092 119.412 120.500 0.006 0.000 2.240 64 R HA 0.267 4.607 4.340 -0.000 0.000 0.203 64 R C 0.876 177.189 176.300 0.021 0.000 1.011 64 R CA 0.668 56.779 56.100 0.018 0.000 1.007 64 R CB 0.053 30.363 30.300 0.017 0.000 0.911 64 R HN 0.616 nan 8.270 nan 0.000 0.468 65 G N 0.883 109.702 108.800 0.032 0.000 2.324 65 G HA2 0.030 3.990 3.960 -0.000 0.000 0.293 65 G HA3 0.030 3.990 3.960 -0.000 0.000 0.293 65 G C -3.076 171.870 174.900 0.077 0.000 1.297 65 G CA -1.138 44.004 45.100 0.069 0.000 0.853 65 G HN -0.246 nan 8.290 nan 0.000 0.535 66 P HA 0.379 nan 4.420 nan 0.000 0.264 66 P C 0.364 177.632 177.300 -0.054 0.000 1.183 66 P CA 0.717 63.838 63.100 0.035 0.000 0.763 66 P CB 0.768 32.481 31.700 0.022 0.000 0.807 67 A N 4.201 126.957 122.820 -0.107 0.000 2.520 67 A HA 0.148 4.467 4.320 -0.000 0.000 0.245 67 A C 0.483 177.897 177.584 -0.285 0.000 1.072 67 A CA 0.489 52.434 52.037 -0.154 0.000 0.761 67 A CB -0.316 18.609 19.000 -0.125 0.000 1.004 67 A HN 0.385 nan 8.150 nan 0.000 0.499 68 K N 0.932 121.138 120.400 -0.323 0.000 2.324 68 K HA 0.750 5.070 4.320 -0.000 0.000 0.253 68 K C -0.285 176.154 176.600 -0.268 0.000 0.932 68 K CA 0.165 56.172 56.287 -0.466 0.000 0.799 68 K CB 1.895 33.939 32.500 -0.759 0.000 1.154 68 K HN 1.352 nan 8.250 nan 0.000 0.425 69 G N 0.795 109.460 108.800 -0.225 0.000 2.443 69 G HA2 0.375 4.334 3.960 -0.000 0.000 0.303 69 G HA3 0.375 4.334 3.960 -0.000 0.000 0.303 69 G C -0.477 174.379 174.900 -0.073 0.000 1.613 69 G CA -0.439 44.590 45.100 -0.118 0.000 0.879 69 G HN 0.613 nan 8.290 nan 0.000 0.632 70 G N -0.773 108.006 108.800 -0.034 0.000 2.651 70 G HA2 0.573 4.533 3.960 -0.000 0.000 0.260 70 G HA3 0.573 4.533 3.960 -0.000 0.000 0.260 70 G C -0.131 174.798 174.900 0.048 0.000 1.216 70 G CA -0.554 44.544 45.100 -0.003 0.000 0.913 70 G HN 0.750 nan 8.290 nan 0.000 0.535 71 I N -0.173 120.438 120.570 0.068 0.000 2.509 71 I HA 0.400 4.570 4.170 -0.000 0.000 0.293 71 I C -0.019 176.123 176.117 0.041 0.000 1.020 71 I CA -0.645 60.733 61.300 0.129 0.000 1.088 71 I CB 2.307 40.460 38.000 0.255 0.000 1.267 71 I HN 0.357 nan 8.210 nan 0.000 0.430 72 R N 5.071 125.632 120.500 0.102 0.000 2.589 72 R HA 0.530 4.870 4.340 -0.000 0.000 0.293 72 R C -1.455 175.008 176.300 0.272 0.000 0.963 72 R CA -0.671 55.492 56.100 0.104 0.000 0.905 72 R CB 2.017 32.398 30.300 0.135 0.000 1.144 72 R HN 0.543 nan 8.270 nan 0.000 0.459 73 Y N 2.666 123.016 120.300 0.084 0.000 2.388 73 Y HA 0.302 4.852 4.550 -0.000 0.000 0.328 73 Y C -0.162 175.840 175.900 0.170 0.000 0.963 73 Y CA -0.706 57.438 58.100 0.073 0.000 1.240 73 Y CB 1.230 39.715 38.460 0.041 0.000 1.118 73 Y HN 0.470 nan 8.280 nan 0.000 0.484 74 H N 5.367 124.541 119.070 0.174 0.000 3.123 74 H HA 0.114 4.670 4.556 -0.000 0.000 0.346 74 H C -2.419 172.966 175.328 0.095 0.000 1.138 74 H CA -1.889 54.231 56.048 0.120 0.000 1.273 74 H CB 3.295 33.126 29.762 0.115 0.000 1.926 74 H HN 0.283 nan 8.280 nan 0.000 0.524 75 P HA -0.077 nan 4.420 nan 0.000 0.220 75 P C -0.289 176.901 177.300 -0.183 0.000 1.148 75 P CA 0.877 63.865 63.100 -0.186 0.000 0.803 75 P CB 0.555 32.145 31.700 -0.184 0.000 0.782 76 D N 0.560 120.742 120.400 -0.364 0.000 2.485 76 D HA 0.304 4.944 4.640 -0.000 0.000 0.256 76 D C -0.632 175.780 176.300 0.186 0.000 1.141 76 D CA -0.238 53.721 54.000 -0.067 0.000 0.942 76 D CB 1.408 42.179 40.800 -0.048 0.000 1.003 76 D HN -0.092 nan 8.370 nan 0.000 0.507 77 V N 1.878 121.902 119.914 0.184 0.000 2.488 77 V HA 0.252 4.372 4.120 -0.000 0.000 0.293 77 V C 0.064 176.301 176.094 0.237 0.000 1.027 77 V CA -0.486 61.962 62.300 0.248 0.000 0.862 77 V CB 2.159 34.165 31.823 0.305 0.000 1.008 77 V HN 0.284 nan 8.190 nan 0.000 0.428 78 T N 4.741 119.370 114.554 0.125 0.000 2.902 78 T HA 0.348 4.698 4.350 -0.000 0.000 0.283 78 T C 0.992 175.574 174.700 -0.197 0.000 1.009 78 T CA -0.414 61.700 62.100 0.022 0.000 1.051 78 T CB 1.972 70.848 68.868 0.013 0.000 0.999 78 T HN 0.473 nan 8.240 nan 0.000 0.474 79 L N 2.001 122.929 121.223 -0.492 0.000 2.043 79 L HA -0.141 4.199 4.340 -0.000 0.000 0.212 79 L C 2.021 178.680 176.870 -0.351 0.000 1.075 79 L CA 2.094 56.492 54.840 -0.737 0.000 0.752 79 L CB -0.711 40.981 42.059 -0.611 0.000 0.891 79 L HN 0.851 nan 8.230 nan 0.000 0.432 80 D N -0.943 119.330 120.400 -0.212 0.000 2.133 80 D HA -0.294 4.346 4.640 -0.000 0.000 0.195 80 D C 2.136 178.402 176.300 -0.057 0.000 0.997 80 D CA 1.582 55.506 54.000 -0.126 0.000 0.840 80 D CB -0.100 40.671 40.800 -0.049 0.000 0.947 80 D HN 0.614 nan 8.370 nan 0.000 0.452 81 E N -0.563 119.622 120.200 -0.026 0.000 2.051 81 E HA -0.173 4.177 4.350 -0.000 0.000 0.192 81 E C 2.122 178.747 176.600 0.041 0.000 0.991 81 E CA 1.182 57.608 56.400 0.044 0.000 0.799 81 E CB 0.053 29.796 29.700 0.072 0.000 0.748 81 E HN 0.182 nan 8.360 nan 0.000 0.449 82 V N 1.541 121.443 119.914 -0.019 0.000 2.255 82 V HA -0.296 3.824 4.120 -0.000 0.000 0.247 82 V C 2.361 178.443 176.094 -0.020 0.000 1.051 82 V CA 2.249 64.546 62.300 -0.004 0.000 1.018 82 V CB -0.534 31.260 31.823 -0.047 0.000 0.641 82 V HN 0.266 nan 8.190 nan 0.000 0.445 83 K N 0.186 120.519 120.400 -0.111 0.000 2.044 83 K HA -0.228 4.092 4.320 -0.000 0.000 0.210 83 K C 2.309 178.906 176.600 -0.006 0.000 1.049 83 K CA 1.692 57.881 56.287 -0.163 0.000 0.927 83 K CB -0.510 31.699 32.500 -0.484 0.000 0.713 83 K HN 0.497 nan 8.250 nan 0.000 0.443 84 A N 1.526 124.389 122.820 0.071 0.000 1.858 84 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 84 A C 2.181 179.791 177.584 0.044 0.000 1.190 84 A CA 1.331 53.411 52.037 0.072 0.000 0.617 84 A CB -0.724 18.349 19.000 0.120 0.000 0.827 84 A HN 0.170 nan 8.150 nan 0.000 0.443 85 L N -0.761 120.578 121.223 0.193 0.000 2.079 85 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 85 L C 3.084 180.063 176.870 0.181 0.000 1.081 85 L CA 1.085 56.103 54.840 0.296 0.000 0.752 85 L CB -0.577 41.604 42.059 0.204 0.000 0.896 85 L HN 0.457 nan 8.230 nan 0.000 0.433 86 A N -0.193 122.672 122.820 0.075 0.000 1.898 86 A HA -0.258 4.062 4.320 -0.000 0.000 0.216 86 A C 2.182 179.694 177.584 -0.120 0.000 1.181 86 A CA 1.403 53.444 52.037 0.006 0.000 0.620 86 A CB -0.842 18.171 19.000 0.022 0.000 0.819 86 A HN 0.381 nan 8.150 nan 0.000 0.442 87 F N -0.685 119.034 119.950 -0.384 0.000 2.126 87 F HA -0.234 4.293 4.527 -0.000 0.000 0.299 87 F C 2.041 177.514 175.800 -0.545 0.000 1.096 87 F CA 1.894 59.430 58.000 -0.774 0.000 1.255 87 F CB -0.426 38.207 39.000 -0.612 0.000 0.997 87 F HN 0.438 nan 8.300 nan 0.000 0.479 88 W N -0.502 120.846 121.300 0.081 0.000 2.358 88 W HA -0.265 4.395 4.660 -0.000 0.000 0.303 88 W C 2.435 178.891 176.519 -0.104 0.000 1.208 88 W CA 0.436 57.854 57.345 0.121 0.000 1.274 88 W CB -0.484 29.093 29.460 0.195 0.000 1.138 88 W HN -0.048 nan 8.180 nan 0.000 0.515 89 M N 0.256 119.903 119.600 0.079 0.000 2.082 89 M HA -0.210 4.270 4.480 -0.000 0.000 0.258 89 M C 1.878 178.066 176.300 -0.188 0.000 1.069 89 M CA 2.043 57.320 55.300 -0.038 0.000 1.102 89 M CB -1.945 30.619 32.600 -0.060 0.000 1.336 89 M HN -0.023 nan 8.290 nan 0.000 0.404 90 T N -0.647 113.629 114.554 -0.463 0.000 2.665 90 T HA -0.222 4.128 4.350 -0.000 0.000 0.268 90 T C 1.505 175.855 174.700 -0.584 0.000 1.035 90 T CA 1.921 63.620 62.100 -0.669 0.000 1.151 90 T CB -0.538 67.643 68.868 -1.145 0.000 0.862 90 T HN 0.571 nan 8.240 nan 0.000 0.438 91 W N 1.266 122.557 121.300 -0.015 0.000 2.476 91 W HA 0.202 4.862 4.660 -0.000 0.000 0.281 91 W C 2.554 179.099 176.519 0.042 0.000 1.230 91 W CA -0.097 57.278 57.345 0.050 0.000 1.287 91 W CB -0.107 29.458 29.460 0.175 0.000 1.108 91 W HN 0.136 nan 8.180 nan 0.000 0.567 92 K N 0.746 121.243 120.400 0.161 0.000 2.025 92 K HA -0.165 4.155 4.320 -0.000 0.000 0.207 92 K C 2.206 178.831 176.600 0.040 0.000 1.049 92 K CA 2.172 58.512 56.287 0.089 0.000 0.933 92 K CB -0.359 32.184 32.500 0.073 0.000 0.714 92 K HN 0.150 nan 8.250 nan 0.000 0.438 93 T N -1.259 113.305 114.554 0.015 0.000 2.737 93 T HA -0.028 4.322 4.350 -0.000 0.000 0.265 93 T C 2.051 176.754 174.700 0.005 0.000 1.038 93 T CA 0.984 63.092 62.100 0.013 0.000 1.144 93 T CB -0.474 68.416 68.868 0.037 0.000 0.866 93 T HN 0.205 nan 8.240 nan 0.000 0.434 94 A N 1.206 124.044 122.820 0.030 0.000 1.892 94 A HA -0.018 4.302 4.320 -0.000 0.000 0.218 94 A C 2.673 180.295 177.584 0.063 0.000 1.188 94 A CA 1.843 53.918 52.037 0.065 0.000 0.631 94 A CB -1.395 17.698 19.000 0.154 0.000 0.822 94 A HN 0.439 nan 8.150 nan 0.000 0.447 95 V N -0.285 119.672 119.914 0.072 0.000 2.407 95 V HA -0.220 3.900 4.120 -0.000 0.000 0.248 95 V C 2.267 178.371 176.094 0.016 0.000 1.055 95 V CA 2.320 64.641 62.300 0.035 0.000 1.049 95 V CB -0.465 31.362 31.823 0.006 0.000 0.662 95 V HN 0.543 nan 8.190 nan 0.000 0.455 96 M N -0.479 119.126 119.600 0.008 0.000 2.562 96 M HA 0.060 4.540 4.480 -0.000 0.000 0.257 96 M C 1.194 177.481 176.300 -0.021 0.000 1.099 96 M CA 0.792 56.090 55.300 -0.002 0.000 1.099 96 M CB -1.812 30.776 32.600 -0.019 0.000 1.427 96 M HN 0.693 nan 8.290 nan 0.000 0.489 97 N N 1.401 120.084 118.700 -0.029 0.000 2.814 97 N HA -0.151 4.589 4.740 -0.000 0.000 0.247 97 N C -1.289 174.137 175.510 -0.140 0.000 1.089 97 N CA -0.081 52.943 53.050 -0.044 0.000 0.682 97 N CB -0.820 37.663 38.487 -0.007 0.000 0.970 97 N HN 0.286 nan 8.380 nan 0.000 0.554 98 L N 1.009 122.101 121.223 -0.218 0.000 2.322 98 L HA 0.499 4.839 4.340 -0.000 0.000 0.279 98 L C -1.540 175.054 176.870 -0.461 0.000 1.036 98 L CA -1.721 52.819 54.840 -0.501 0.000 0.807 98 L CB 1.226 42.995 42.059 -0.484 0.000 1.226 98 L HN -0.000 nan 8.230 nan 0.000 0.433 99 P HA 0.131 nan 4.420 nan 0.000 0.232 99 P C -0.874 176.160 177.300 -0.443 0.000 1.738 99 P CA 0.527 63.391 63.100 -0.394 0.000 0.948 99 P CB -0.448 31.113 31.700 -0.231 0.000 1.943 100 F N -0.593 119.261 119.950 -0.159 0.000 2.620 100 F HA 0.644 5.171 4.527 -0.000 0.000 0.320 100 F C 1.267 176.974 175.800 -0.155 0.000 1.069 100 F CA -1.137 56.748 58.000 -0.193 0.000 0.953 100 F CB 2.090 40.946 39.000 -0.241 0.000 1.322 100 F HN -0.019 nan 8.300 nan 0.000 0.479 101 G N -0.345 108.493 108.800 0.064 0.000 2.857 101 G HA2 0.576 4.536 3.960 -0.000 0.000 0.217 101 G HA3 0.576 4.536 3.960 -0.000 0.000 0.217 101 G C -1.034 173.805 174.900 -0.103 0.000 1.357 101 G CA -0.816 44.256 45.100 -0.046 0.000 1.033 101 G HN 0.849 nan 8.290 nan 0.000 0.571 102 G N -1.394 107.332 108.800 -0.122 0.000 2.544 102 G HA2 0.658 4.618 3.960 -0.000 0.000 0.313 102 G HA3 0.658 4.618 3.960 -0.000 0.000 0.313 102 G C -0.421 174.431 174.900 -0.081 0.000 1.316 102 G CA 0.181 45.203 45.100 -0.130 0.000 0.944 102 G HN 1.048 nan 8.290 nan 0.000 0.489 103 G N 0.751 109.499 108.800 -0.088 0.000 2.690 103 G HA2 0.737 4.697 3.960 -0.000 0.000 0.291 103 G HA3 0.737 4.697 3.960 -0.000 0.000 0.291 103 G C -1.573 173.306 174.900 -0.035 0.000 1.403 103 G CA -0.653 44.408 45.100 -0.064 0.000 0.864 103 G HN 0.543 nan 8.290 nan 0.000 0.480 104 K N -1.160 119.240 120.400 -0.000 0.000 2.625 104 K HA 0.729 5.049 4.320 -0.000 0.000 0.284 104 K C -0.617 176.038 176.600 0.093 0.000 0.984 104 K CA -0.301 56.012 56.287 0.043 0.000 0.865 104 K CB 2.063 34.598 32.500 0.058 0.000 1.468 104 K HN 1.289 nan 8.250 nan 0.000 0.407 105 G N -0.767 108.124 108.800 0.153 0.000 2.660 105 G HA2 0.762 4.722 3.960 -0.000 0.000 0.290 105 G HA3 0.762 4.722 3.960 -0.000 0.000 0.290 105 G C -1.133 173.947 174.900 0.299 0.000 1.432 105 G CA -0.131 45.131 45.100 0.270 0.000 0.807 105 G HN 0.713 nan 8.290 nan 0.000 0.485 106 G N -1.889 107.127 108.800 0.360 0.000 2.519 106 G HA2 0.614 4.574 3.960 -0.000 0.000 0.292 106 G HA3 0.614 4.574 3.960 -0.000 0.000 0.292 106 G C -2.003 172.940 174.900 0.072 0.000 1.507 106 G CA -0.277 44.972 45.100 0.248 0.000 0.806 106 G HN 1.262 nan 8.290 nan 0.000 0.523 107 V N 0.832 120.746 119.914 0.001 0.000 2.531 107 V HA 0.524 4.644 4.120 -0.000 0.000 0.301 107 V C 0.521 176.596 176.094 -0.031 0.000 1.034 107 V CA -0.894 61.308 62.300 -0.164 0.000 0.865 107 V CB 1.732 33.319 31.823 -0.394 0.000 0.995 107 V HN 0.798 nan 8.190 nan 0.000 0.424 108 R N 3.497 123.973 120.500 -0.041 0.000 2.459 108 R HA 0.518 4.858 4.340 -0.000 0.000 0.301 108 R C -1.057 175.273 176.300 0.050 0.000 1.286 108 R CA 0.220 56.334 56.100 0.024 0.000 1.046 108 R CB 0.357 30.660 30.300 0.004 0.000 1.071 108 R HN 0.547 nan 8.270 nan 0.000 0.512 109 V N 3.124 123.054 119.914 0.027 0.000 3.098 109 V HA 0.170 4.290 4.120 -0.000 0.000 0.294 109 V C -1.877 174.225 176.094 0.013 0.000 1.351 109 V CA -0.978 61.346 62.300 0.040 0.000 0.999 109 V CB 2.429 34.180 31.823 -0.121 0.000 1.104 109 V HN 0.674 nan 8.190 nan 0.000 0.438 110 D N 6.942 127.362 120.400 0.032 0.000 2.443 110 D HA 0.487 5.127 4.640 -0.000 0.000 0.221 110 D C -1.226 175.097 176.300 0.038 0.000 1.097 110 D CA -2.064 51.957 54.000 0.035 0.000 0.865 110 D CB 2.026 42.839 40.800 0.022 0.000 1.034 110 D HN 0.409 nan 8.370 nan 0.000 0.511 111 P HA -0.199 nan 4.420 nan 0.000 0.217 111 P C 0.825 178.159 177.300 0.056 0.000 1.148 111 P CA 0.970 64.102 63.100 0.054 0.000 0.828 111 P CB 0.388 32.169 31.700 0.135 0.000 0.783 112 K N -0.297 120.139 120.400 0.060 0.000 2.360 112 K HA -0.066 4.254 4.320 -0.000 0.000 0.201 112 K C 1.682 178.307 176.600 0.042 0.000 1.046 112 K CA 0.782 57.099 56.287 0.051 0.000 0.945 112 K CB -0.029 32.501 32.500 0.050 0.000 0.750 112 K HN 0.122 nan 8.250 nan 0.000 0.464 113 K N 0.358 120.783 120.400 0.042 0.000 2.374 113 K HA 0.183 4.503 4.320 -0.000 0.000 0.196 113 K C 0.532 177.160 176.600 0.046 0.000 1.023 113 K CA 0.223 56.536 56.287 0.043 0.000 1.103 113 K CB 0.393 32.922 32.500 0.048 0.000 0.848 113 K HN 0.104 nan 8.250 nan 0.000 0.528 114 L N 1.520 122.765 121.223 0.036 0.000 2.331 114 L HA 0.243 4.583 4.340 -0.000 0.000 0.275 114 L C 0.394 177.278 176.870 0.022 0.000 1.022 114 L CA -0.736 54.117 54.840 0.023 0.000 0.812 114 L CB 1.805 43.853 42.059 -0.018 0.000 1.257 114 L HN -0.051 nan 8.230 nan 0.000 0.435 115 S N 0.903 116.611 115.700 0.014 0.000 2.632 115 S HA 0.305 4.775 4.470 -0.000 0.000 0.271 115 S C 0.806 175.412 174.600 0.011 0.000 1.260 115 S CA -0.775 57.435 58.200 0.016 0.000 1.010 115 S CB 1.903 65.109 63.200 0.009 0.000 0.965 115 S HN 0.647 nan 8.310 nan 0.000 0.534 116 R N 2.090 122.611 120.500 0.035 0.000 2.159 116 R HA -0.240 4.100 4.340 -0.000 0.000 0.249 116 R C 1.569 177.842 176.300 -0.043 0.000 1.136 116 R CA 2.684 58.820 56.100 0.061 0.000 0.951 116 R CB -1.513 28.836 30.300 0.082 0.000 0.876 116 R HN 0.846 nan 8.270 nan 0.000 0.440 117 N N 0.156 118.816 118.700 -0.068 0.000 2.043 117 N HA -0.154 4.586 4.740 -0.000 0.000 0.193 117 N C 1.591 177.001 175.510 -0.166 0.000 1.037 117 N CA 1.976 54.946 53.050 -0.133 0.000 0.851 117 N CB -0.227 38.210 38.487 -0.082 0.000 1.027 117 N HN 0.465 nan 8.380 nan 0.000 0.422 118 E N -0.053 120.083 120.200 -0.107 0.000 2.085 118 E HA -0.175 4.175 4.350 -0.000 0.000 0.194 118 E C 1.829 178.333 176.600 -0.160 0.000 0.994 118 E CA 0.644 56.980 56.400 -0.108 0.000 0.801 118 E CB -0.175 29.491 29.700 -0.057 0.000 0.743 118 E HN 0.196 nan 8.360 nan 0.000 0.453 119 L N 1.529 122.669 121.223 -0.139 0.000 2.017 119 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 119 L C 2.361 179.086 176.870 -0.241 0.000 1.073 119 L CA 1.862 56.634 54.840 -0.114 0.000 0.745 119 L CB -0.293 41.812 42.059 0.077 0.000 0.894 119 L HN 0.087 nan 8.230 nan 0.000 0.432 120 E N -0.613 119.231 120.200 -0.594 0.000 2.038 120 E HA -0.297 4.053 4.350 -0.000 0.000 0.195 120 E C 2.371 178.648 176.600 -0.539 0.000 1.000 120 E CA 1.520 57.227 56.400 -1.155 0.000 0.803 120 E CB -0.111 28.776 29.700 -1.354 0.000 0.750 120 E HN 0.431 nan 8.360 nan 0.000 0.448 121 R N 0.283 120.577 120.500 -0.344 0.000 2.091 121 R HA -0.158 4.182 4.340 -0.000 0.000 0.238 121 R C 2.687 178.928 176.300 -0.100 0.000 1.136 121 R CA 1.448 57.439 56.100 -0.182 0.000 0.959 121 R CB -0.456 29.769 30.300 -0.125 0.000 0.856 121 R HN 0.313 nan 8.270 nan 0.000 0.437 122 L N 0.414 121.562 121.223 -0.125 0.000 2.017 122 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 122 L C 2.023 178.901 176.870 0.013 0.000 1.073 122 L CA 1.717 56.503 54.840 -0.091 0.000 0.745 122 L CB -0.221 41.634 42.059 -0.341 0.000 0.894 122 L HN 0.088 nan 8.230 nan 0.000 0.432 123 S N -0.147 115.603 115.700 0.084 0.000 2.370 123 S HA -0.176 4.294 4.470 -0.000 0.000 0.226 123 S C 1.927 176.769 174.600 0.404 0.000 1.033 123 S CA 1.475 59.909 58.200 0.389 0.000 1.011 123 S CB -0.373 63.049 63.200 0.370 0.000 0.852 123 S HN 0.456 nan 8.310 nan 0.000 0.457 124 R N 0.738 121.333 120.500 0.158 0.000 2.066 124 R HA 0.015 4.355 4.340 -0.000 0.000 0.232 124 R C 2.588 178.955 176.300 0.111 0.000 1.131 124 R CA 1.282 57.471 56.100 0.148 0.000 0.955 124 R CB -0.281 30.029 30.300 0.017 0.000 0.851 124 R HN 0.133 nan 8.270 nan 0.000 0.432 125 R N 0.797 121.310 120.500 0.020 0.000 2.096 125 R HA -0.149 4.191 4.340 -0.000 0.000 0.235 125 R C 1.883 178.029 176.300 -0.258 0.000 1.127 125 R CA 1.417 57.475 56.100 -0.071 0.000 0.968 125 R CB -0.821 29.470 30.300 -0.014 0.000 0.861 125 R HN 0.170 nan 8.270 nan 0.000 0.440 126 F N -0.178 119.455 119.950 -0.528 0.000 2.075 126 F HA -0.124 4.403 4.527 -0.000 0.000 0.297 126 F C 1.802 177.480 175.800 -0.202 0.000 1.113 126 F CA 1.427 59.044 58.000 -0.638 0.000 1.218 126 F CB -0.911 37.900 39.000 -0.316 0.000 0.984 126 F HN 0.061 nan 8.300 nan 0.000 0.472 127 F N 0.719 120.467 119.950 -0.336 0.000 2.269 127 F HA -0.145 4.382 4.527 -0.000 0.000 0.301 127 F C 2.603 178.232 175.800 -0.286 0.000 1.082 127 F CA 1.566 59.297 58.000 -0.448 0.000 1.360 127 F CB -0.814 38.072 39.000 -0.189 0.000 1.041 127 F HN -0.048 nan 8.300 nan 0.000 0.512 128 S N -0.616 115.042 115.700 -0.070 0.000 2.406 128 S HA -0.115 4.354 4.470 -0.000 0.000 0.228 128 S C 1.914 176.420 174.600 -0.156 0.000 1.020 128 S CA 0.848 59.004 58.200 -0.074 0.000 0.965 128 S CB -0.137 63.054 63.200 -0.016 0.000 0.798 128 S HN 0.351 nan 8.310 nan 0.000 0.488 129 E N 1.590 121.652 120.200 -0.229 0.000 2.051 129 E HA -0.014 4.336 4.350 -0.000 0.000 0.189 129 E C 2.023 178.470 176.600 -0.256 0.000 0.979 129 E CA 0.841 57.125 56.400 -0.194 0.000 0.803 129 E CB -0.306 29.303 29.700 -0.151 0.000 0.761 129 E HN 0.714 nan 8.360 nan 0.000 0.451 130 I N -0.882 119.412 120.570 -0.459 0.000 3.564 130 I HA 0.021 4.191 4.170 -0.000 0.000 0.294 130 I C 2.272 178.100 176.117 -0.481 0.000 1.289 130 I CA 0.394 61.413 61.300 -0.470 0.000 1.325 130 I CB -0.150 37.457 38.000 -0.655 0.000 1.039 130 I HN -0.045 nan 8.210 nan 0.000 0.474 131 Q N 1.865 121.392 119.800 -0.455 0.000 2.112 131 Q HA -0.170 4.170 4.340 -0.000 0.000 0.206 131 Q C 2.164 178.043 176.000 -0.202 0.000 0.987 131 Q CA 2.739 58.328 55.803 -0.356 0.000 0.858 131 Q CB -0.067 28.574 28.738 -0.161 0.000 0.905 131 Q HN 0.559 nan 8.270 nan 0.000 0.420 132 V N 0.757 120.579 119.914 -0.152 0.000 2.439 132 V HA -0.287 3.833 4.120 -0.000 0.000 0.253 132 V C 2.052 178.088 176.094 -0.096 0.000 1.074 132 V CA 1.838 64.083 62.300 -0.092 0.000 1.076 132 V CB -0.478 31.300 31.823 -0.075 0.000 0.664 132 V HN 0.450 nan 8.190 nan 0.000 0.461 133 I N -0.901 119.579 120.570 -0.149 0.000 3.708 133 I HA 0.173 4.343 4.170 -0.000 0.000 0.302 133 I C 1.162 177.176 176.117 -0.172 0.000 1.255 133 I CA 0.139 61.357 61.300 -0.137 0.000 1.362 133 I CB 0.302 38.224 38.000 -0.131 0.000 1.100 133 I HN 0.287 nan 8.210 nan 0.000 0.434 134 I N -0.494 119.912 120.570 -0.274 0.000 3.432 134 I HA 0.767 4.937 4.170 -0.000 0.000 0.291 134 I C 0.308 176.271 176.117 -0.257 0.000 1.127 134 I CA -0.398 60.700 61.300 -0.337 0.000 0.962 134 I CB 0.645 38.289 38.000 -0.593 0.000 1.550 134 I HN 0.040 nan 8.210 nan 0.000 0.736 135 G N 0.971 109.598 108.800 -0.289 0.000 2.343 135 G HA2 0.186 4.146 3.960 -0.000 0.000 0.298 135 G HA3 0.186 4.146 3.960 -0.000 0.000 0.298 135 G C -2.604 172.242 174.900 -0.090 0.000 1.644 135 G CA -0.347 44.672 45.100 -0.136 0.000 0.958 135 G HN 0.466 nan 8.290 nan 0.000 0.702 136 P HA -0.121 nan 4.420 nan 0.000 0.221 136 P C 0.438 177.683 177.300 -0.093 0.000 1.145 136 P CA 1.410 64.481 63.100 -0.049 0.000 0.795 136 P CB 0.059 31.656 31.700 -0.172 0.000 0.775 137 Y N -1.979 118.483 120.300 0.270 0.000 2.612 137 Y HA 0.261 4.811 4.550 -0.000 0.000 0.250 137 Y C 1.795 177.768 175.900 0.122 0.000 1.175 137 Y CA -0.540 57.716 58.100 0.260 0.000 1.205 137 Y CB 0.245 38.844 38.460 0.232 0.000 1.201 137 Y HN -0.084 nan 8.280 nan 0.000 0.532 138 N N -0.528 118.246 118.700 0.122 0.000 2.979 138 N HA 0.046 4.786 4.740 -0.000 0.000 0.247 138 N C -0.824 174.648 175.510 -0.064 0.000 1.012 138 N CA 0.652 53.722 53.050 0.033 0.000 1.061 138 N CB 0.695 39.188 38.487 0.010 0.000 1.677 138 N HN 0.018 nan 8.380 nan 0.000 0.558 139 D N 0.182 120.501 120.400 -0.135 0.000 2.763 139 D HA 0.390 5.030 4.640 -0.000 0.000 0.235 139 D C -1.367 174.778 176.300 -0.258 0.000 1.334 139 D CA -0.279 53.599 54.000 -0.203 0.000 0.950 139 D CB 1.281 41.963 40.800 -0.197 0.000 1.433 139 D HN 0.012 nan 8.370 nan 0.000 0.580 140 I N 4.958 125.337 120.570 -0.318 0.000 2.388 140 I HA 0.328 4.498 4.170 -0.000 0.000 0.281 140 I C -2.138 173.828 176.117 -0.251 0.000 1.046 140 I CA -1.849 59.267 61.300 -0.308 0.000 1.187 140 I CB 1.505 39.215 38.000 -0.483 0.000 1.351 140 I HN 0.067 nan 8.210 nan 0.000 0.472 141 P HA 0.357 nan 4.420 nan 0.000 0.274 141 P C -0.544 176.724 177.300 -0.054 0.000 1.260 141 P CA -0.207 62.856 63.100 -0.062 0.000 0.793 141 P CB 0.801 32.530 31.700 0.048 0.000 1.048 142 A N -0.365 122.443 122.820 -0.020 0.000 2.586 142 A HA 0.682 5.002 4.320 -0.000 0.000 0.290 142 A C -2.893 174.687 177.584 -0.007 0.000 1.086 142 A CA -1.286 50.734 52.037 -0.028 0.000 0.665 142 A CB 0.654 19.608 19.000 -0.077 0.000 1.279 142 A HN 0.308 nan 8.150 nan 0.000 0.423 143 P HA 0.487 nan 4.420 nan 0.000 0.274 143 P C -0.960 176.306 177.300 -0.056 0.000 1.246 143 P CA 0.566 63.626 63.100 -0.067 0.000 0.795 143 P CB 1.493 33.134 31.700 -0.098 0.000 1.006 144 D N -0.746 119.612 120.400 -0.070 0.000 4.243 144 D HA 0.081 4.721 4.640 -0.000 0.000 0.333 144 D C -0.959 175.307 176.300 -0.057 0.000 1.611 144 D CA -0.283 53.689 54.000 -0.047 0.000 0.979 144 D CB 0.263 41.052 40.800 -0.018 0.000 1.457 144 D HN -0.013 nan 8.370 nan 0.000 0.646 145 V N 2.933 122.823 119.914 -0.040 0.000 2.458 145 V HA 0.165 4.285 4.120 -0.000 0.000 0.287 145 V C 0.250 176.334 176.094 -0.018 0.000 1.009 145 V CA 0.467 62.744 62.300 -0.038 0.000 1.091 145 V CB -0.165 31.618 31.823 -0.066 0.000 0.960 145 V HN 0.610 nan 8.190 nan 0.000 0.476 146 N N 2.066 120.760 118.700 -0.010 0.000 2.782 146 N HA -0.152 4.588 4.740 -0.000 0.000 0.251 146 N C 0.267 175.743 175.510 -0.057 0.000 1.101 146 N CA 1.513 54.578 53.050 0.026 0.000 0.764 146 N CB -1.270 37.302 38.487 0.143 0.000 1.122 146 N HN 0.993 nan 8.380 nan 0.000 0.561 147 T N -1.662 112.796 114.554 -0.161 0.000 2.881 147 T HA 0.698 5.048 4.350 -0.000 0.000 0.290 147 T C -0.044 174.532 174.700 -0.207 0.000 1.000 147 T CA -0.974 60.956 62.100 -0.283 0.000 0.978 147 T CB 2.802 71.423 68.868 -0.413 0.000 0.997 147 T HN 0.264 nan 8.240 nan 0.000 0.443 148 N N 1.182 119.736 118.700 -0.243 0.000 3.038 148 N HA 0.623 5.363 4.740 -0.000 0.000 0.307 148 N C 1.400 176.743 175.510 -0.278 0.000 1.441 148 N CA -0.645 52.276 53.050 -0.215 0.000 0.772 148 N CB 0.493 38.872 38.487 -0.180 0.000 1.651 148 N HN 0.620 nan 8.380 nan 0.000 0.593 149 A N -0.137 122.544 122.820 -0.233 0.000 1.958 149 A HA -0.249 4.071 4.320 -0.000 0.000 0.221 149 A C 1.214 178.576 177.584 -0.369 0.000 1.178 149 A CA 2.345 54.234 52.037 -0.246 0.000 0.642 149 A CB -1.232 17.657 19.000 -0.185 0.000 0.816 149 A HN 0.777 nan 8.150 nan 0.000 0.453 150 D N -0.676 119.451 120.400 -0.455 0.000 2.117 150 D HA -0.073 4.567 4.640 -0.000 0.000 0.197 150 D C 1.926 177.497 176.300 -1.216 0.000 0.987 150 D CA 1.372 54.938 54.000 -0.725 0.000 0.829 150 D CB -0.254 40.160 40.800 -0.643 0.000 0.961 150 D HN 0.250 nan 8.370 nan 0.000 0.460 151 V N 1.018 120.336 119.914 -0.993 0.000 2.358 151 V HA -0.176 3.944 4.120 -0.000 0.000 0.246 151 V C 2.297 177.876 176.094 -0.857 0.000 1.047 151 V CA 0.897 62.639 62.300 -0.930 0.000 1.035 151 V CB -0.317 31.171 31.823 -0.557 0.000 0.658 151 V HN 0.223 nan 8.190 nan 0.000 0.452 152 I N 0.883 121.076 120.570 -0.628 0.000 2.264 152 I HA -0.244 3.926 4.170 -0.000 0.000 0.248 152 I C 2.691 178.619 176.117 -0.315 0.000 1.111 152 I CA 1.962 63.021 61.300 -0.401 0.000 1.382 152 I CB -1.564 36.312 38.000 -0.206 0.000 1.060 152 I HN 0.323 nan 8.210 nan 0.000 0.418 153 A N 0.281 122.880 122.820 -0.368 0.000 1.902 153 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 153 A C 2.085 179.606 177.584 -0.105 0.000 1.181 153 A CA 1.213 53.106 52.037 -0.238 0.000 0.623 153 A CB -0.853 17.968 19.000 -0.298 0.000 0.818 153 A HN 0.454 nan 8.150 nan 0.000 0.443 154 W N -0.770 120.406 121.300 -0.207 0.000 2.358 154 W HA -0.147 4.513 4.660 -0.000 0.000 0.303 154 W C 2.226 178.672 176.519 -0.122 0.000 1.208 154 W CA 0.687 57.935 57.345 -0.162 0.000 1.274 154 W CB -1.531 27.806 29.460 -0.205 0.000 1.138 154 W HN 0.570 nan 8.180 nan 0.000 0.515 155 Y N -0.445 119.785 120.300 -0.117 0.000 2.049 155 Y HA -0.367 4.183 4.550 -0.000 0.000 0.277 155 Y C 2.885 178.619 175.900 -0.277 0.000 1.143 155 Y CA 1.172 58.904 58.100 -0.614 0.000 1.115 155 Y CB -0.928 36.746 38.460 -1.310 0.000 0.975 155 Y HN -0.243 nan 8.280 nan 0.000 0.487 156 M N 0.841 120.452 119.600 0.019 0.000 2.089 156 M HA -0.305 4.174 4.480 -0.000 0.000 0.257 156 M C 1.523 177.929 176.300 0.177 0.000 1.071 156 M CA 2.273 57.649 55.300 0.126 0.000 1.096 156 M CB -0.873 31.771 32.600 0.073 0.000 1.330 156 M HN 0.279 nan 8.290 nan 0.000 0.403 157 D N -0.757 119.726 120.400 0.139 0.000 2.097 157 D HA -0.125 4.515 4.640 -0.000 0.000 0.195 157 D C 1.606 177.998 176.300 0.153 0.000 0.989 157 D CA 2.185 56.266 54.000 0.136 0.000 0.827 157 D CB -0.005 40.879 40.800 0.139 0.000 0.966 157 D HN 0.405 nan 8.370 nan 0.000 0.456 158 T N -0.958 113.715 114.554 0.199 0.000 2.746 158 T HA -0.176 4.174 4.350 -0.000 0.000 0.267 158 T C 1.659 176.514 174.700 0.259 0.000 1.039 158 T CA 1.244 63.473 62.100 0.215 0.000 1.142 158 T CB -0.692 68.343 68.868 0.278 0.000 0.866 158 T HN 0.321 nan 8.240 nan 0.000 0.444 159 Y N 1.788 122.215 120.300 0.211 0.000 2.089 159 Y HA -0.218 4.332 4.550 -0.000 0.000 0.282 159 Y C 2.832 178.756 175.900 0.041 0.000 1.139 159 Y CA 1.444 59.639 58.100 0.158 0.000 1.123 159 Y CB -0.216 38.391 38.460 0.244 0.000 0.980 159 Y HN 0.116 nan 8.280 nan 0.000 0.493 160 S N 0.358 116.087 115.700 0.050 0.000 2.365 160 S HA -0.261 4.209 4.470 -0.000 0.000 0.225 160 S C 1.856 176.378 174.600 -0.130 0.000 1.039 160 S CA 1.717 59.859 58.200 -0.096 0.000 1.033 160 S CB -0.360 62.860 63.200 0.034 0.000 0.887 160 S HN 0.438 nan 8.310 nan 0.000 0.447 161 M N 1.442 121.021 119.600 -0.036 0.000 2.229 161 M HA -0.010 4.469 4.480 -0.000 0.000 0.264 161 M C 1.546 177.805 176.300 -0.069 0.000 1.063 161 M CA 1.112 56.393 55.300 -0.033 0.000 1.114 161 M CB -1.547 31.059 32.600 0.011 0.000 1.387 161 M HN 0.226 nan 8.290 nan 0.000 0.420 162 N N 0.196 118.843 118.700 -0.088 0.000 2.135 162 N HA -0.059 4.681 4.740 -0.000 0.000 0.186 162 N C 1.843 177.237 175.510 -0.193 0.000 1.027 162 N CA 1.057 54.045 53.050 -0.104 0.000 0.849 162 N CB -0.442 38.011 38.487 -0.057 0.000 1.002 162 N HN 0.119 nan 8.380 nan 0.000 0.425 163 V N -0.668 119.023 119.914 -0.372 0.000 2.427 163 V HA 0.042 4.162 4.120 -0.000 0.000 0.248 163 V C 1.427 177.316 176.094 -0.343 0.000 1.051 163 V CA 1.580 63.605 62.300 -0.458 0.000 1.048 163 V CB -0.899 30.429 31.823 -0.825 0.000 0.666 163 V HN 0.545 nan 8.190 nan 0.000 0.456 164 G N 0.399 109.014 108.800 -0.308 0.000 2.155 164 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.135 164 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.135 164 G C 0.083 174.968 174.900 -0.026 0.000 1.023 164 G CA -0.050 44.973 45.100 -0.128 0.000 0.688 164 G HN 1.142 nan 8.290 nan 0.000 0.499 165 H N -3.108 115.932 119.070 -0.050 0.000 2.961 165 H HA 0.427 4.983 4.556 -0.000 0.000 0.278 165 H C -0.750 174.573 175.328 -0.009 0.000 1.338 165 H CA -0.216 55.819 56.048 -0.021 0.000 1.373 165 H CB 0.583 30.337 29.762 -0.013 0.000 1.915 165 H HN 0.409 nan 8.280 nan 0.000 0.500 166 T N 1.498 116.168 114.554 0.194 0.000 2.829 166 T HA 0.222 4.572 4.350 -0.000 0.000 0.293 166 T C 0.794 175.625 174.700 0.219 0.000 0.970 166 T CA 0.339 62.529 62.100 0.151 0.000 1.168 166 T CB -0.023 68.918 68.868 0.121 0.000 0.911 166 T HN 0.422 nan 8.240 nan 0.000 0.535 167 V N 6.056 126.080 119.914 0.182 0.000 2.735 167 V HA 0.088 4.208 4.120 -0.000 0.000 0.234 167 V C 1.824 178.032 176.094 0.189 0.000 1.121 167 V CA 0.816 63.250 62.300 0.224 0.000 1.160 167 V CB -0.661 31.340 31.823 0.297 0.000 0.908 167 V HN 1.054 nan 8.190 nan 0.000 0.495 168 L N 0.522 121.859 121.223 0.190 0.000 4.668 168 L HA -0.225 4.115 4.340 -0.000 0.000 0.439 168 L C 0.874 177.837 176.870 0.155 0.000 1.120 168 L CA 1.832 56.767 54.840 0.158 0.000 0.961 168 L CB -2.584 39.560 42.059 0.143 0.000 1.918 168 L HN 0.308 nan 8.230 nan 0.000 0.926 169 G N -1.387 107.514 108.800 0.168 0.000 3.228 169 G HA2 0.302 4.262 3.960 -0.000 0.000 0.245 169 G HA3 0.302 4.262 3.960 -0.000 0.000 0.245 169 G C 1.002 176.043 174.900 0.236 0.000 1.051 169 G CA 0.388 45.609 45.100 0.201 0.000 0.809 169 G HN 0.392 nan 8.290 nan 0.000 0.531 170 I N 1.375 122.041 120.570 0.161 0.000 2.676 170 I HA 0.158 4.328 4.170 -0.000 0.000 0.259 170 I C 0.580 176.719 176.117 0.037 0.000 1.194 170 I CA 0.602 61.921 61.300 0.032 0.000 1.473 170 I CB 0.372 38.344 38.000 -0.045 0.000 1.096 170 I HN 0.017 nan 8.210 nan 0.000 0.443 171 V N -2.538 117.423 119.914 0.077 0.000 3.087 171 V HA 0.714 4.834 4.120 -0.000 0.000 0.306 171 V C -0.212 175.905 176.094 0.039 0.000 1.187 171 V CA -0.083 62.240 62.300 0.039 0.000 0.999 171 V CB 0.911 32.756 31.823 0.036 0.000 1.049 171 V HN 0.221 nan 8.190 nan 0.000 0.431 172 T N -1.775 112.779 114.554 -0.001 0.000 2.919 172 T HA 0.773 5.123 4.350 -0.000 0.000 0.282 172 T C 0.970 175.656 174.700 -0.022 0.000 1.020 172 T CA -0.108 61.996 62.100 0.007 0.000 0.994 172 T CB 1.123 69.986 68.868 -0.008 0.000 1.180 172 T HN 2.753 nan 8.240 nan 0.000 0.566 173 G N 0.688 109.473 108.800 -0.026 0.000 2.160 173 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.244 173 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.244 173 G C -0.117 174.736 174.900 -0.077 0.000 1.022 173 G CA 0.273 45.341 45.100 -0.054 0.000 0.741 173 G HN 0.880 nan 8.290 nan 0.000 0.508 174 K N 0.143 120.506 120.400 -0.062 0.000 2.090 174 K HA 0.460 4.780 4.320 -0.000 0.000 0.250 174 K C -2.305 174.235 176.600 -0.100 0.000 1.004 174 K CA -1.923 54.313 56.287 -0.086 0.000 0.919 174 K CB 0.638 33.108 32.500 -0.049 0.000 1.045 174 K HN 0.002 nan 8.250 nan 0.000 0.471 175 P HA -0.078 nan 4.420 nan 0.000 0.268 175 P C 0.707 177.931 177.300 -0.128 0.000 1.205 175 P CA -0.064 62.963 63.100 -0.122 0.000 0.771 175 P CB 0.548 32.172 31.700 -0.127 0.000 0.858 176 V N 1.984 121.820 119.914 -0.130 0.000 2.282 176 V HA -0.230 3.890 4.120 -0.000 0.000 0.249 176 V C 1.580 177.535 176.094 -0.232 0.000 1.057 176 V CA 2.019 64.218 62.300 -0.168 0.000 1.032 176 V CB -1.028 30.713 31.823 -0.137 0.000 0.645 176 V HN 0.602 nan 8.190 nan 0.000 0.447 177 E N -0.250 119.843 120.200 -0.180 0.000 2.424 177 E HA 0.132 4.482 4.350 -0.000 0.000 0.237 177 E C 0.147 176.651 176.600 -0.159 0.000 1.381 177 E CA 0.179 56.471 56.400 -0.179 0.000 1.587 177 E CB -0.195 29.432 29.700 -0.122 0.000 1.398 177 E HN 0.355 nan 8.360 nan 0.000 0.439 178 L N -1.104 120.007 121.223 -0.186 0.000 3.982 178 L HA 0.300 4.640 4.340 -0.000 0.000 0.402 178 L C 0.724 177.538 176.870 -0.093 0.000 1.254 178 L CA 0.892 55.662 54.840 -0.117 0.000 1.286 178 L CB 0.488 42.496 42.059 -0.085 0.000 1.420 178 L HN 0.237 nan 8.230 nan 0.000 0.591 179 G N -1.349 107.335 108.800 -0.194 0.000 2.211 179 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.201 179 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.201 179 G C 0.729 175.641 174.900 0.020 0.000 0.997 179 G CA 0.090 45.178 45.100 -0.019 0.000 0.652 179 G HN 0.828 nan 8.290 nan 0.000 0.500 180 G N -0.067 108.671 108.800 -0.103 0.000 2.631 180 G HA2 0.524 4.484 3.960 -0.000 0.000 0.271 180 G HA3 0.524 4.484 3.960 -0.000 0.000 0.271 180 G C 0.064 174.937 174.900 -0.045 0.000 1.302 180 G CA 0.851 45.916 45.100 -0.057 0.000 1.002 180 G HN 0.973 nan 8.290 nan 0.000 0.519 181 S N -0.860 114.827 115.700 -0.021 0.000 2.542 181 S HA 0.422 4.892 4.470 -0.000 0.000 0.293 181 S C -0.290 174.300 174.600 -0.016 0.000 1.089 181 S CA -0.768 57.430 58.200 -0.004 0.000 0.961 181 S CB 1.993 65.201 63.200 0.013 0.000 1.062 181 S HN 0.548 nan 8.310 nan 0.000 0.483 182 K N 0.556 120.953 120.400 -0.005 0.000 2.258 182 K HA 0.474 4.794 4.320 -0.000 0.000 0.264 182 K C 1.155 177.759 176.600 0.006 0.000 1.007 182 K CA 0.406 56.686 56.287 -0.011 0.000 0.941 182 K CB 0.311 32.809 32.500 -0.003 0.000 0.966 182 K HN 0.963 nan 8.250 nan 0.000 0.480 183 G N 1.200 109.981 108.800 -0.033 0.000 2.176 183 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.253 183 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.253 183 G C 0.978 175.827 174.900 -0.086 0.000 0.979 183 G CA 0.649 45.716 45.100 -0.056 0.000 0.641 183 G HN 0.728 nan 8.290 nan 0.000 0.530 184 R N 0.704 121.164 120.500 -0.066 0.000 2.094 184 R HA -0.133 4.207 4.340 -0.000 0.000 0.239 184 R C 2.294 178.521 176.300 -0.121 0.000 1.137 184 R CA 2.322 58.380 56.100 -0.069 0.000 0.943 184 R CB -0.405 29.863 30.300 -0.053 0.000 0.850 184 R HN 0.655 nan 8.270 nan 0.000 0.433 185 E N 0.100 120.200 120.200 -0.166 0.000 2.017 185 E HA -0.245 4.105 4.350 -0.000 0.000 0.193 185 E C 1.895 178.164 176.600 -0.552 0.000 0.997 185 E CA 1.843 58.111 56.400 -0.220 0.000 0.804 185 E CB -0.132 29.494 29.700 -0.122 0.000 0.757 185 E HN 0.655 nan 8.360 nan 0.000 0.448 186 E N 1.168 120.832 120.200 -0.893 0.000 2.347 186 E HA -0.073 4.277 4.350 -0.000 0.000 0.196 186 E C 1.924 178.289 176.600 -0.392 0.000 1.008 186 E CA 0.695 56.462 56.400 -1.055 0.000 0.852 186 E CB -0.139 29.062 29.700 -0.833 0.000 0.783 186 E HN 0.193 nan 8.360 nan 0.000 0.505 187 A N 1.909 124.589 122.820 -0.233 0.000 1.883 187 A HA -0.348 3.972 4.320 -0.000 0.000 0.222 187 A C 2.496 180.047 177.584 -0.056 0.000 1.339 187 A CA 2.965 54.946 52.037 -0.093 0.000 0.692 187 A CB -1.696 17.269 19.000 -0.059 0.000 0.845 187 A HN 0.411 nan 8.150 nan 0.000 0.467 188 T N -0.413 114.114 114.554 -0.044 0.000 2.665 188 T HA -0.101 4.249 4.350 -0.000 0.000 0.268 188 T C 1.960 176.669 174.700 0.014 0.000 1.035 188 T CA 1.915 64.011 62.100 -0.005 0.000 1.151 188 T CB -0.969 67.906 68.868 0.011 0.000 0.862 188 T HN 0.724 nan 8.240 nan 0.000 0.438 189 G N 1.089 109.907 108.800 0.029 0.000 2.440 189 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.218 189 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.218 189 G C 1.562 176.486 174.900 0.040 0.000 1.154 189 G CA 0.966 46.111 45.100 0.075 0.000 0.767 189 G HN 0.460 nan 8.290 nan 0.000 0.552 190 R N 0.296 120.796 120.500 0.000 0.000 2.105 190 R HA -0.025 4.315 4.340 -0.000 0.000 0.239 190 R C 2.721 179.031 176.300 0.017 0.000 1.135 190 R CA 1.669 57.772 56.100 0.005 0.000 0.967 190 R CB -0.699 29.595 30.300 -0.010 0.000 0.861 190 R HN 0.314 nan 8.270 nan 0.000 0.442 191 G N -0.015 108.796 108.800 0.018 0.000 2.421 191 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.216 191 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.216 191 G C 1.391 176.306 174.900 0.024 0.000 1.171 191 G CA 0.983 46.098 45.100 0.026 0.000 0.775 191 G HN 0.232 nan 8.290 nan 0.000 0.543 192 V N 1.417 121.348 119.914 0.028 0.000 2.392 192 V HA -0.197 3.923 4.120 -0.000 0.000 0.249 192 V C 2.755 178.860 176.094 0.019 0.000 1.059 192 V CA 2.163 64.481 62.300 0.031 0.000 1.051 192 V CB -0.414 31.432 31.823 0.039 0.000 0.658 192 V HN 0.388 nan 8.190 nan 0.000 0.455 193 K N 0.536 120.947 120.400 0.019 0.000 2.026 193 K HA -0.156 4.164 4.320 -0.000 0.000 0.208 193 K C 2.094 178.681 176.600 -0.022 0.000 1.048 193 K CA 1.909 58.201 56.287 0.009 0.000 0.929 193 K CB -0.394 32.118 32.500 0.020 0.000 0.713 193 K HN 0.386 nan 8.250 nan 0.000 0.439 194 V N 1.399 121.296 119.914 -0.029 0.000 2.261 194 V HA -0.325 3.795 4.120 -0.000 0.000 0.246 194 V C 2.796 178.795 176.094 -0.157 0.000 1.047 194 V CA 1.908 64.165 62.300 -0.073 0.000 1.015 194 V CB -0.787 31.009 31.823 -0.045 0.000 0.642 194 V HN 0.414 nan 8.190 nan 0.000 0.446 195 C N 0.436 119.666 119.300 -0.115 0.000 2.413 195 C HA -0.141 4.319 4.460 -0.000 0.000 0.276 195 C C 3.152 178.053 174.990 -0.149 0.000 1.236 195 C CA 0.885 59.811 59.018 -0.153 0.000 1.735 195 C CB -1.453 26.319 27.740 0.053 0.000 2.031 195 C HN 0.646 nan 8.230 nan 0.000 0.474 196 A N 0.756 123.540 122.820 -0.060 0.000 1.908 196 A HA 0.019 4.339 4.320 -0.000 0.000 0.218 196 A C 2.396 179.940 177.584 -0.068 0.000 1.181 196 A CA 2.247 54.266 52.037 -0.031 0.000 0.627 196 A CB -1.302 17.697 19.000 -0.001 0.000 0.818 196 A HN 0.565 nan 8.150 nan 0.000 0.445 197 G N -0.064 108.678 108.800 -0.097 0.000 2.433 197 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.216 197 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.216 197 G C 1.546 176.354 174.900 -0.153 0.000 1.186 197 G CA 1.079 46.119 45.100 -0.100 0.000 0.779 197 G HN 0.444 nan 8.290 nan 0.000 0.543 198 L N 0.792 121.829 121.223 -0.310 0.000 2.079 198 L HA -0.089 4.251 4.340 -0.000 0.000 0.210 198 L C 3.408 180.125 176.870 -0.255 0.000 1.081 198 L CA 0.974 55.538 54.840 -0.459 0.000 0.752 198 L CB -0.492 40.853 42.059 -1.191 0.000 0.896 198 L HN 0.317 nan 8.230 nan 0.000 0.433 199 A N 0.058 122.781 122.820 -0.162 0.000 1.877 199 A HA -0.229 4.090 4.320 -0.000 0.000 0.216 199 A C 2.333 179.941 177.584 0.040 0.000 1.186 199 A CA 1.788 53.865 52.037 0.067 0.000 0.620 199 A CB -0.485 18.566 19.000 0.085 0.000 0.822 199 A HN 0.330 nan 8.150 nan 0.000 0.443 200 M N -0.720 118.879 119.600 -0.002 0.000 2.108 200 M HA -0.213 4.267 4.480 -0.000 0.000 0.261 200 M C 1.671 177.976 176.300 0.009 0.000 1.066 200 M CA 2.104 57.408 55.300 0.006 0.000 1.107 200 M CB -0.709 31.887 32.600 -0.006 0.000 1.356 200 M HN 0.429 nan 8.290 nan 0.000 0.406 201 D N 0.030 120.425 120.400 -0.008 0.000 2.104 201 D HA -0.165 4.474 4.640 -0.000 0.000 0.194 201 D C 1.958 178.280 176.300 0.036 0.000 0.994 201 D CA 1.821 55.824 54.000 0.004 0.000 0.830 201 D CB -0.118 40.670 40.800 -0.019 0.000 0.959 201 D HN 0.341 nan 8.370 nan 0.000 0.452 202 V N -1.130 118.827 119.914 0.070 0.000 2.667 202 V HA -0.063 4.057 4.120 -0.000 0.000 0.252 202 V C 1.669 177.802 176.094 0.064 0.000 1.065 202 V CA 1.139 63.494 62.300 0.092 0.000 1.083 202 V CB -0.528 31.389 31.823 0.156 0.000 0.692 202 V HN 0.076 nan 8.190 nan 0.000 0.468 203 L N 1.661 122.917 121.223 0.055 0.000 2.592 203 L HA 0.549 4.889 4.340 -0.000 0.000 0.227 203 L C 1.933 178.821 176.870 0.030 0.000 1.127 203 L CA 1.180 56.045 54.840 0.042 0.000 0.884 203 L CB -0.544 41.540 42.059 0.041 0.000 1.065 203 L HN 0.597 nan 8.230 nan 0.000 0.457 204 G N 0.333 109.150 108.800 0.027 0.000 2.203 204 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.263 204 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.263 204 G C 0.371 175.280 174.900 0.016 0.000 1.012 204 G CA 0.232 45.343 45.100 0.020 0.000 0.749 204 G HN 0.330 nan 8.290 nan 0.000 0.512 205 I N 0.606 121.185 120.570 0.016 0.000 2.342 205 I HA 0.240 4.410 4.170 -0.000 0.000 0.291 205 I C 0.272 176.394 176.117 0.008 0.000 1.010 205 I CA -0.666 60.642 61.300 0.013 0.000 1.308 205 I CB 1.207 39.216 38.000 0.016 0.000 1.400 205 I HN 0.102 nan 8.210 nan 0.000 0.488 206 D N 9.463 129.868 120.400 0.007 0.000 2.339 206 D HA 0.127 4.767 4.640 -0.000 0.000 0.256 206 D C -1.265 175.038 176.300 0.004 0.000 1.214 206 D CA -1.794 52.209 54.000 0.004 0.000 0.877 206 D CB 1.160 41.962 40.800 0.004 0.000 1.111 206 D HN 0.243 nan 8.370 nan 0.000 0.478 207 P HA -0.266 nan 4.420 nan 0.000 0.217 207 P C 1.194 178.497 177.300 0.005 0.000 1.151 207 P CA 1.218 64.320 63.100 0.003 0.000 0.849 207 P CB 0.211 31.910 31.700 -0.001 0.000 0.787 208 K N 0.545 120.947 120.400 0.004 0.000 2.152 208 K HA -0.172 4.148 4.320 -0.000 0.000 0.206 208 K C 2.249 178.850 176.600 0.002 0.000 1.048 208 K CA 1.476 57.765 56.287 0.003 0.000 0.933 208 K CB -0.130 32.371 32.500 0.002 0.000 0.721 208 K HN 0.020 nan 8.250 nan 0.000 0.447 209 K N -0.106 120.296 120.400 0.003 0.000 2.352 209 K HA 0.147 4.467 4.320 -0.000 0.000 0.194 209 K C -0.171 176.433 176.600 0.006 0.000 1.038 209 K CA 0.172 56.460 56.287 0.002 0.000 1.023 209 K CB 0.332 32.834 32.500 0.003 0.000 0.840 209 K HN 0.144 nan 8.250 nan 0.000 0.519 210 A N 1.826 124.652 122.820 0.009 0.000 2.540 210 A HA 0.094 4.414 4.320 -0.000 0.000 0.239 210 A C 0.047 177.642 177.584 0.018 0.000 1.061 210 A CA 0.277 52.323 52.037 0.015 0.000 0.758 210 A CB -0.025 18.985 19.000 0.015 0.000 0.991 210 A HN 0.419 nan 8.150 nan 0.000 0.502 211 T N 0.021 114.590 114.554 0.025 0.000 2.829 211 T HA 0.623 4.973 4.350 -0.000 0.000 0.282 211 T C -0.390 174.338 174.700 0.047 0.000 0.990 211 T CA -0.734 61.386 62.100 0.033 0.000 1.028 211 T CB 1.304 70.197 68.868 0.041 0.000 0.951 211 T HN 0.567 nan 8.240 nan 0.000 0.460 212 V N 1.531 121.479 119.914 0.057 0.000 2.709 212 V HA 0.802 4.922 4.120 -0.000 0.000 0.308 212 V C -0.210 175.940 176.094 0.093 0.000 1.062 212 V CA -1.066 61.275 62.300 0.068 0.000 0.901 212 V CB 1.750 33.611 31.823 0.063 0.000 1.003 212 V HN 1.297 nan 8.190 nan 0.000 0.425 213 A N 4.168 127.043 122.820 0.093 0.000 2.330 213 A HA 0.859 5.179 4.320 -0.000 0.000 0.313 213 A C -1.011 176.628 177.584 0.092 0.000 1.124 213 A CA -0.531 51.571 52.037 0.109 0.000 0.774 213 A CB 1.576 20.641 19.000 0.109 0.000 1.198 213 A HN 0.692 nan 8.150 nan 0.000 0.465 214 V N 3.265 123.240 119.914 0.102 0.000 2.357 214 V HA 0.327 4.447 4.120 -0.000 0.000 0.284 214 V C 0.160 176.312 176.094 0.095 0.000 1.018 214 V CA -0.462 61.899 62.300 0.102 0.000 0.841 214 V CB 1.404 33.310 31.823 0.138 0.000 0.991 214 V HN 0.945 nan 8.190 nan 0.000 0.437 215 Q N 3.565 123.411 119.800 0.077 0.000 2.337 215 Q HA 0.559 4.899 4.340 -0.000 0.000 0.255 215 Q C 0.180 176.228 176.000 0.080 0.000 0.997 215 Q CA 0.497 56.339 55.803 0.066 0.000 0.925 215 Q CB 1.071 29.838 28.738 0.049 0.000 1.212 215 Q HN 1.149 nan 8.270 nan 0.000 0.436 216 G N 3.031 111.890 108.800 0.099 0.000 2.770 216 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.686 216 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.686 216 G C -1.254 173.782 174.900 0.227 0.000 1.180 216 G CA -0.773 44.398 45.100 0.119 0.000 0.767 216 G HN 0.543 nan 8.290 nan 0.000 0.646 217 F N 2.603 122.533 119.950 -0.034 0.000 2.677 217 F HA 0.537 5.064 4.527 -0.000 0.000 0.388 217 F C 1.139 176.901 175.800 -0.063 0.000 1.400 217 F CA 0.179 58.144 58.000 -0.059 0.000 1.162 217 F CB 0.373 39.327 39.000 -0.078 0.000 1.135 217 F HN 0.856 nan 8.300 nan 0.000 0.516 218 G N 0.339 109.096 108.800 -0.073 0.000 2.531 218 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.253 218 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.253 218 G C 0.849 175.629 174.900 -0.200 0.000 1.439 218 G CA -0.026 45.011 45.100 -0.105 0.000 1.056 218 G HN 0.271 nan 8.290 nan 0.000 0.555 219 N N -1.588 117.047 118.700 -0.108 0.000 2.061 219 N HA -0.176 4.564 4.740 -0.000 0.000 0.193 219 N C 2.280 177.806 175.510 0.026 0.000 1.030 219 N CA 1.932 54.953 53.050 -0.047 0.000 0.856 219 N CB -0.169 38.364 38.487 0.077 0.000 1.023 219 N HN 0.158 nan 8.380 nan 0.000 0.424 220 V N -0.027 119.902 119.914 0.024 0.000 2.261 220 V HA -0.123 3.997 4.120 -0.000 0.000 0.246 220 V C 2.415 178.505 176.094 -0.006 0.000 1.047 220 V CA 2.071 64.398 62.300 0.045 0.000 1.015 220 V CB -1.476 30.364 31.823 0.028 0.000 0.642 220 V HN 0.526 nan 8.190 nan 0.000 0.446 221 G N -1.035 107.725 108.800 -0.067 0.000 2.446 221 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.217 221 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.217 221 G C 1.511 176.253 174.900 -0.263 0.000 1.168 221 G CA 1.013 46.066 45.100 -0.078 0.000 0.771 221 G HN 0.558 nan 8.290 nan 0.000 0.551 222 Q N -0.461 118.949 119.800 -0.649 0.000 1.967 222 Q HA -0.068 4.272 4.340 -0.000 0.000 0.202 222 Q C 2.428 178.157 176.000 -0.451 0.000 0.985 222 Q CA 1.487 56.721 55.803 -0.950 0.000 0.839 222 Q CB -0.360 27.697 28.738 -1.135 0.000 0.906 222 Q HN 0.576 nan 8.270 nan 0.000 0.423 223 F N 0.551 120.378 119.950 -0.205 0.000 2.126 223 F HA -0.257 4.269 4.527 -0.000 0.000 0.299 223 F C 2.480 178.245 175.800 -0.060 0.000 1.096 223 F CA 0.636 58.573 58.000 -0.105 0.000 1.255 223 F CB -0.306 38.646 39.000 -0.079 0.000 0.997 223 F HN 0.138 nan 8.300 nan 0.000 0.479 224 A N 0.260 123.155 122.820 0.125 0.000 1.858 224 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 224 A C 2.392 180.020 177.584 0.074 0.000 1.190 224 A CA 1.913 54.002 52.037 0.086 0.000 0.617 224 A CB -1.385 17.653 19.000 0.064 0.000 0.827 224 A HN 0.326 nan 8.150 nan 0.000 0.443 225 A N -0.452 122.407 122.820 0.065 0.000 1.883 225 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 225 A C 2.260 179.897 177.584 0.088 0.000 1.186 225 A CA 1.661 53.758 52.037 0.099 0.000 0.624 225 A CB -0.751 18.357 19.000 0.180 0.000 0.822 225 A HN 0.619 nan 8.150 nan 0.000 0.444 226 L N -0.356 120.907 121.223 0.067 0.000 1.955 226 L HA -0.202 4.138 4.340 -0.000 0.000 0.213 226 L C 2.575 179.494 176.870 0.082 0.000 1.072 226 L CA 1.843 56.726 54.840 0.072 0.000 0.755 226 L CB -0.335 41.760 42.059 0.060 0.000 0.888 226 L HN 0.456 nan 8.230 nan 0.000 0.432 227 L N -0.442 120.838 121.223 0.096 0.000 2.042 227 L HA -0.294 4.046 4.340 -0.000 0.000 0.210 227 L C 2.566 179.469 176.870 0.055 0.000 1.076 227 L CA 1.565 56.450 54.840 0.075 0.000 0.749 227 L CB -0.626 41.477 42.059 0.074 0.000 0.893 227 L HN 0.362 nan 8.230 nan 0.000 0.432 228 I N -0.756 119.848 120.570 0.056 0.000 2.151 228 I HA -0.353 3.817 4.170 -0.000 0.000 0.243 228 I C 2.880 179.023 176.117 0.043 0.000 1.080 228 I CA 1.529 62.856 61.300 0.044 0.000 1.339 228 I CB -0.288 37.742 38.000 0.050 0.000 1.039 228 I HN 0.257 nan 8.210 nan 0.000 0.409 229 S N 0.091 115.823 115.700 0.054 0.000 2.344 229 S HA -0.232 4.237 4.470 -0.000 0.000 0.217 229 S C 2.004 176.629 174.600 0.042 0.000 1.033 229 S CA 1.554 59.784 58.200 0.051 0.000 1.017 229 S CB -0.159 63.080 63.200 0.065 0.000 0.941 229 S HN 0.413 nan 8.310 nan 0.000 0.430 230 Q N 0.179 120.007 119.800 0.046 0.000 2.020 230 Q HA -0.110 4.230 4.340 -0.000 0.000 0.202 230 Q C 2.308 178.326 176.000 0.030 0.000 0.982 230 Q CA 1.670 57.497 55.803 0.039 0.000 0.838 230 Q CB -0.213 28.552 28.738 0.045 0.000 0.899 230 Q HN 0.650 nan 8.270 nan 0.000 0.423 231 E N 0.154 120.372 120.200 0.030 0.000 2.112 231 E HA -0.060 4.290 4.350 -0.000 0.000 0.190 231 E C 1.950 178.559 176.600 0.014 0.000 0.979 231 E CA 0.624 57.037 56.400 0.021 0.000 0.814 231 E CB 0.204 29.916 29.700 0.021 0.000 0.762 231 E HN 0.274 nan 8.360 nan 0.000 0.460 232 L N -1.050 120.183 121.223 0.016 0.000 2.298 232 L HA 0.195 4.535 4.340 -0.000 0.000 0.209 232 L C 1.608 178.485 176.870 0.011 0.000 1.084 232 L CA 0.556 55.402 54.840 0.009 0.000 0.816 232 L CB 0.184 42.247 42.059 0.007 0.000 0.967 232 L HN 0.324 nan 8.230 nan 0.000 0.460 233 G N -0.152 108.658 108.800 0.017 0.000 2.176 233 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.253 233 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.253 233 G C 0.281 175.190 174.900 0.015 0.000 0.979 233 G CA 0.257 45.367 45.100 0.015 0.000 0.641 233 G HN 0.287 nan 8.290 nan 0.000 0.530 234 S N 0.713 116.424 115.700 0.019 0.000 2.549 234 S HA 0.386 4.856 4.470 -0.000 0.000 0.279 234 S C 0.560 175.174 174.600 0.024 0.000 1.321 234 S CA -0.131 58.080 58.200 0.019 0.000 1.054 234 S CB 1.007 64.220 63.200 0.023 0.000 0.899 234 S HN 0.427 nan 8.310 nan 0.000 0.497 235 K N 2.106 122.514 120.400 0.015 0.000 2.315 235 K HA 0.172 4.492 4.320 -0.000 0.000 0.291 235 K C -0.833 175.782 176.600 0.025 0.000 1.074 235 K CA -0.239 56.052 56.287 0.006 0.000 0.936 235 K CB 0.276 32.762 32.500 -0.023 0.000 1.049 235 K HN 0.284 nan 8.250 nan 0.000 0.471 236 V N 5.151 125.097 119.914 0.054 0.000 2.364 236 V HA -0.055 4.065 4.120 -0.000 0.000 0.252 236 V C 1.361 177.521 176.094 0.111 0.000 1.075 236 V CA 0.004 62.365 62.300 0.101 0.000 1.033 236 V CB 0.324 32.231 31.823 0.140 0.000 1.116 236 V HN 0.675 nan 8.190 nan 0.000 0.488 237 V N 2.206 122.161 119.914 0.068 0.000 3.406 237 V HA 0.611 4.730 4.120 -0.000 0.000 0.263 237 V C 0.746 176.925 176.094 0.142 0.000 1.172 237 V CA 0.851 63.129 62.300 -0.037 0.000 1.140 237 V CB -0.311 31.459 31.823 -0.089 0.000 0.784 237 V HN 0.840 nan 8.190 nan 0.000 0.467 238 A N 0.150 123.138 122.820 0.280 0.000 2.577 238 A HA 0.774 5.094 4.320 -0.000 0.000 0.297 238 A C -0.906 176.758 177.584 0.135 0.000 1.060 238 A CA 0.069 52.292 52.037 0.309 0.000 0.697 238 A CB 1.773 20.982 19.000 0.348 0.000 1.281 238 A HN 1.428 nan 8.150 nan 0.000 0.402 239 V N -0.757 119.142 119.914 -0.025 0.000 3.049 239 V HA 1.001 5.121 4.120 -0.000 0.000 0.309 239 V C -0.387 175.604 176.094 -0.172 0.000 1.148 239 V CA -0.266 61.957 62.300 -0.128 0.000 0.990 239 V CB 1.685 33.272 31.823 -0.394 0.000 1.039 239 V HN 1.781 nan 8.190 nan 0.000 0.430 240 S N 0.756 116.402 115.700 -0.089 0.000 2.547 240 S HA 0.604 5.074 4.470 -0.000 0.000 0.281 240 S C -0.917 173.673 174.600 -0.016 0.000 1.118 240 S CA -0.671 57.491 58.200 -0.063 0.000 0.947 240 S CB 1.915 65.114 63.200 -0.002 0.000 1.053 240 S HN 0.984 nan 8.310 nan 0.000 0.482 241 D N 0.894 121.275 120.400 -0.031 0.000 2.466 241 D HA 0.275 4.915 4.640 -0.000 0.000 0.262 241 D C 0.411 176.733 176.300 0.036 0.000 1.177 241 D CA -0.316 53.700 54.000 0.026 0.000 1.035 241 D CB 1.616 42.422 40.800 0.010 0.000 1.105 241 D HN 0.684 nan 8.370 nan 0.000 0.551 242 S N 0.561 116.288 115.700 0.046 0.000 3.456 242 S HA 0.171 4.641 4.470 -0.000 0.000 0.229 242 S C 0.800 175.420 174.600 0.033 0.000 1.416 242 S CA -0.165 58.059 58.200 0.040 0.000 1.197 242 S CB 0.192 63.416 63.200 0.041 0.000 1.201 242 S HN 0.549 nan 8.310 nan 0.000 0.479 243 R N -0.374 120.143 120.500 0.028 0.000 2.554 243 R HA 0.309 4.649 4.340 -0.000 0.000 0.121 243 R C 0.425 176.737 176.300 0.021 0.000 0.888 243 R CA 0.636 56.751 56.100 0.026 0.000 2.274 243 R CB 0.286 30.604 30.300 0.030 0.000 1.574 243 R HN 0.592 nan 8.270 nan 0.000 0.511 244 G N -0.528 108.280 108.800 0.014 0.000 2.313 244 G HA2 0.401 4.361 3.960 -0.000 0.000 0.296 244 G HA3 0.401 4.361 3.960 -0.000 0.000 0.296 244 G C -1.380 173.514 174.900 -0.010 0.000 1.356 244 G CA -0.337 44.768 45.100 0.009 0.000 0.833 244 G HN 0.289 nan 8.290 nan 0.000 0.552 245 G N -1.216 107.580 108.800 -0.006 0.000 2.714 245 G HA2 0.872 4.832 3.960 -0.000 0.000 0.292 245 G HA3 0.872 4.832 3.960 -0.000 0.000 0.292 245 G C -0.584 174.313 174.900 -0.004 0.000 1.308 245 G CA -0.492 44.593 45.100 -0.025 0.000 0.964 245 G HN 1.440 nan 8.290 nan 0.000 0.484 246 I N -2.012 118.549 120.570 -0.015 0.000 2.545 246 I HA 0.703 4.873 4.170 -0.000 0.000 0.292 246 I C -1.636 174.668 176.117 0.312 0.000 1.040 246 I CA -1.220 60.131 61.300 0.086 0.000 1.068 246 I CB 2.460 40.418 38.000 -0.069 0.000 1.251 246 I HN 0.470 nan 8.210 nan 0.000 0.424 247 Y N 5.032 125.476 120.300 0.241 0.000 2.485 247 Y HA 0.687 5.237 4.550 -0.000 0.000 0.345 247 Y C -1.121 174.846 175.900 0.112 0.000 0.998 247 Y CA -0.774 57.454 58.100 0.213 0.000 1.059 247 Y CB 1.879 40.389 38.460 0.084 0.000 1.234 247 Y HN 0.791 nan 8.280 nan 0.000 0.461 248 N N 6.435 124.587 118.700 -0.913 0.000 3.063 248 N HA 0.187 4.927 4.740 -0.000 0.000 0.242 248 N C -2.714 172.215 175.510 -0.969 0.000 1.146 248 N CA -1.457 51.014 53.050 -0.965 0.000 0.974 248 N CB 1.935 39.748 38.487 -1.123 0.000 1.584 248 N HN 0.392 nan 8.380 nan 0.000 0.636 249 P HA -0.095 nan 4.420 nan 0.000 0.222 249 P C 0.441 177.552 177.300 -0.315 0.000 1.147 249 P CA 1.115 63.941 63.100 -0.456 0.000 0.790 249 P CB 0.568 32.117 31.700 -0.251 0.000 0.780 250 E N -0.204 119.789 120.200 -0.346 0.000 2.268 250 E HA 0.131 4.481 4.350 -0.000 0.000 0.195 250 E C 0.753 177.207 176.600 -0.244 0.000 0.995 250 E CA 0.435 56.684 56.400 -0.251 0.000 0.836 250 E CB -0.370 29.191 29.700 -0.233 0.000 0.763 250 E HN 0.277 nan 8.360 nan 0.000 0.491 251 G N 0.882 109.468 108.800 -0.355 0.000 3.322 251 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.686 251 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.686 251 G C -0.574 174.189 174.900 -0.228 0.000 1.015 251 G CA -0.852 44.104 45.100 -0.240 0.000 0.826 251 G HN 0.090 nan 8.290 nan 0.000 0.538 252 F N 0.764 120.686 119.950 -0.047 0.000 2.382 252 F HA 0.408 4.935 4.527 -0.000 0.000 0.331 252 F C 1.149 176.942 175.800 -0.011 0.000 1.121 252 F CA 0.227 58.208 58.000 -0.031 0.000 1.183 252 F CB 1.250 40.198 39.000 -0.087 0.000 1.207 252 F HN 0.528 nan 8.300 nan 0.000 0.555 253 D N 1.613 122.164 120.400 0.252 0.000 2.494 253 D HA 0.210 4.850 4.640 -0.000 0.000 0.217 253 D C 0.869 177.234 176.300 0.108 0.000 1.153 253 D CA -0.102 53.987 54.000 0.147 0.000 0.954 253 D CB 0.569 41.453 40.800 0.141 0.000 1.034 253 D HN 0.303 nan 8.370 nan 0.000 0.518 254 V N 3.282 123.258 119.914 0.104 0.000 2.311 254 V HA -0.363 3.757 4.120 -0.000 0.000 0.256 254 V C 2.155 178.296 176.094 0.077 0.000 1.077 254 V CA 1.947 64.303 62.300 0.094 0.000 1.067 254 V CB -0.610 31.282 31.823 0.115 0.000 0.659 254 V HN 0.637 nan 8.190 nan 0.000 0.451 255 E N -0.264 119.977 120.200 0.068 0.000 2.038 255 E HA -0.270 4.079 4.350 -0.000 0.000 0.195 255 E C 2.313 178.955 176.600 0.070 0.000 1.000 255 E CA 1.657 58.093 56.400 0.059 0.000 0.803 255 E CB -0.240 29.495 29.700 0.060 0.000 0.750 255 E HN 0.709 nan 8.360 nan 0.000 0.448 256 E N 0.607 120.858 120.200 0.084 0.000 2.085 256 E HA -0.193 4.157 4.350 -0.000 0.000 0.194 256 E C 2.274 178.912 176.600 0.063 0.000 0.994 256 E CA 0.721 57.197 56.400 0.125 0.000 0.801 256 E CB -0.100 29.721 29.700 0.201 0.000 0.743 256 E HN 0.240 nan 8.360 nan 0.000 0.453 257 L N 0.672 121.823 121.223 -0.120 0.000 2.046 257 L HA -0.220 4.119 4.340 -0.000 0.000 0.208 257 L C 2.459 179.363 176.870 0.056 0.000 1.077 257 L CA 1.015 55.664 54.840 -0.318 0.000 0.747 257 L CB -0.349 41.424 42.059 -0.477 0.000 0.896 257 L HN 0.190 nan 8.230 nan 0.000 0.432 258 I N -0.718 119.949 120.570 0.162 0.000 2.179 258 I HA -0.290 3.880 4.170 -0.000 0.000 0.242 258 I C 2.713 178.896 176.117 0.111 0.000 1.088 258 I CA 1.090 62.485 61.300 0.159 0.000 1.357 258 I CB -0.270 37.729 38.000 -0.002 0.000 1.051 258 I HN 0.181 nan 8.210 nan 0.000 0.409 259 R N 0.071 120.632 120.500 0.102 0.000 2.096 259 R HA -0.206 4.134 4.340 -0.000 0.000 0.235 259 R C 2.140 178.527 176.300 0.144 0.000 1.127 259 R CA 1.369 57.526 56.100 0.095 0.000 0.968 259 R CB -1.074 29.287 30.300 0.101 0.000 0.861 259 R HN 0.403 nan 8.270 nan 0.000 0.440 260 Y N 1.275 121.640 120.300 0.109 0.000 2.145 260 Y HA -0.257 4.293 4.550 -0.000 0.000 0.286 260 Y C 2.220 178.258 175.900 0.231 0.000 1.145 260 Y CA 1.976 60.214 58.100 0.231 0.000 1.148 260 Y CB -0.089 38.453 38.460 0.137 0.000 0.981 260 Y HN -0.016 nan 8.280 nan 0.000 0.507 261 K N 0.401 120.943 120.400 0.236 0.000 2.097 261 K HA -0.191 4.129 4.320 -0.000 0.000 0.206 261 K C 1.972 178.589 176.600 0.027 0.000 1.049 261 K CA 1.676 58.051 56.287 0.146 0.000 0.933 261 K CB -0.112 32.522 32.500 0.223 0.000 0.717 261 K HN 0.294 nan 8.250 nan 0.000 0.442 262 K N 0.258 120.663 120.400 0.008 0.000 2.148 262 K HA -0.157 4.163 4.320 -0.000 0.000 0.204 262 K C 1.867 178.392 176.600 -0.125 0.000 1.050 262 K CA 1.374 57.633 56.287 -0.047 0.000 0.942 262 K CB 0.067 32.545 32.500 -0.036 0.000 0.724 262 K HN 0.283 nan 8.250 nan 0.000 0.446 263 E N -0.044 120.026 120.200 -0.217 0.000 2.415 263 E HA -0.020 4.330 4.350 -0.000 0.000 0.197 263 E C -0.675 175.439 176.600 -0.810 0.000 1.007 263 E CA 0.180 56.295 56.400 -0.475 0.000 0.890 263 E CB 0.441 29.825 29.700 -0.527 0.000 0.891 263 E HN 0.331 nan 8.360 nan 0.000 0.496 264 H N -1.934 116.968 119.070 -0.281 0.000 3.172 264 H HA 0.253 4.809 4.556 -0.000 0.000 0.322 264 H C 0.729 175.962 175.328 -0.158 0.000 1.003 264 H CA -0.170 55.700 56.048 -0.297 0.000 1.466 264 H CB 1.661 31.041 29.762 -0.636 0.000 1.673 264 H HN 0.111 nan 8.280 nan 0.000 0.512 265 G N 2.817 111.618 108.800 0.001 0.000 2.857 265 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.226 265 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.226 265 G C 0.740 175.676 174.900 0.059 0.000 1.100 265 G CA 1.899 47.013 45.100 0.023 0.000 0.744 265 G HN 0.711 nan 8.290 nan 0.000 0.642 266 T N -4.172 110.436 114.554 0.090 0.000 2.916 266 T HA 0.483 4.833 4.350 -0.000 0.000 0.292 266 T C 0.985 175.797 174.700 0.186 0.000 1.064 266 T CA 0.024 62.187 62.100 0.105 0.000 1.011 266 T CB 1.911 70.826 68.868 0.078 0.000 1.152 266 T HN 0.613 nan 8.240 nan 0.000 0.510 267 V N -0.542 119.414 119.914 0.070 0.000 3.573 267 V HA 0.275 4.395 4.120 -0.000 0.000 0.270 267 V C 0.847 176.913 176.094 -0.046 0.000 1.221 267 V CA -0.102 62.173 62.300 -0.042 0.000 1.163 267 V CB -1.134 30.411 31.823 -0.463 0.000 0.847 267 V HN 0.691 nan 8.190 nan 0.000 0.468 268 V N 1.539 121.481 119.914 0.046 0.000 2.963 268 V HA 0.288 4.408 4.120 -0.000 0.000 0.306 268 V C 1.636 177.793 176.094 0.105 0.000 1.077 268 V CA 1.121 63.443 62.300 0.037 0.000 1.124 268 V CB 0.273 32.121 31.823 0.042 0.000 0.987 268 V HN 0.748 nan 8.190 nan 0.000 0.487 269 T N 0.907 115.491 114.554 0.049 0.000 8.650 269 T HA -0.291 4.059 4.350 -0.000 0.000 0.321 269 T C 0.099 174.781 174.700 -0.029 0.000 2.013 269 T CA 1.461 63.591 62.100 0.049 0.000 3.192 269 T CB -1.793 67.139 68.868 0.107 0.000 2.061 269 T HN 0.922 nan 8.240 nan 0.000 1.035 270 Y N 5.857 125.927 120.300 -0.384 0.000 2.805 270 Y HA 0.318 4.868 4.550 -0.000 0.000 0.331 270 Y C -1.627 174.057 175.900 -0.360 0.000 1.241 270 Y CA -1.711 55.890 58.100 -0.831 0.000 1.546 270 Y CB 0.471 38.239 38.460 -1.154 0.000 1.248 270 Y HN 0.142 nan 8.280 nan 0.000 0.559 271 P HA -0.056 nan 4.420 nan 0.000 0.269 271 P C -0.751 176.228 177.300 -0.534 0.000 1.217 271 P CA 0.032 62.817 63.100 -0.525 0.000 0.783 271 P CB 0.638 32.078 31.700 -0.435 0.000 0.898 272 K N -0.487 119.780 120.400 -0.223 0.000 3.117 272 K HA -0.142 4.178 4.320 -0.000 0.000 0.269 272 K C -0.377 176.277 176.600 0.090 0.000 1.098 272 K CA 0.791 57.022 56.287 -0.094 0.000 0.785 272 K CB -1.787 30.646 32.500 -0.112 0.000 1.242 272 K HN 0.932 nan 8.250 nan 0.000 0.491 273 G N 1.315 110.189 108.800 0.123 0.000 2.704 273 G HA2 0.258 4.218 3.960 -0.000 0.000 0.280 273 G HA3 0.258 4.218 3.960 -0.000 0.000 0.280 273 G C -1.333 173.669 174.900 0.170 0.000 1.499 273 G CA -0.586 44.700 45.100 0.310 0.000 1.146 273 G HN 0.255 nan 8.290 nan 0.000 0.558 274 E N 2.456 122.760 120.200 0.173 0.000 2.220 274 E HA 0.136 4.486 4.350 -0.000 0.000 0.272 274 E C 0.375 177.071 176.600 0.160 0.000 1.099 274 E CA -0.362 56.129 56.400 0.151 0.000 0.907 274 E CB 0.483 30.301 29.700 0.196 0.000 1.022 274 E HN 0.377 nan 8.360 nan 0.000 0.428 275 R N 4.669 125.226 120.500 0.095 0.000 2.449 275 R HA 0.219 4.559 4.340 -0.000 0.000 0.296 275 R C 0.246 176.580 176.300 0.058 0.000 1.047 275 R CA 0.287 56.428 56.100 0.069 0.000 1.018 275 R CB -0.021 30.303 30.300 0.040 0.000 0.962 275 R HN 0.502 nan 8.270 nan 0.000 0.428 276 I N -2.445 118.156 120.570 0.051 0.000 2.969 276 I HA 0.435 4.604 4.170 -0.000 0.000 0.307 276 I C -0.131 175.995 176.117 0.016 0.000 1.149 276 I CA -1.061 60.253 61.300 0.023 0.000 1.008 276 I CB 2.321 40.325 38.000 0.007 0.000 1.232 276 I HN 0.316 nan 8.210 nan 0.000 0.435 277 T N 1.448 116.005 114.554 0.005 0.000 2.882 277 T HA 0.233 4.583 4.350 -0.000 0.000 0.287 277 T C 0.910 175.615 174.700 0.009 0.000 1.014 277 T CA 0.097 62.203 62.100 0.009 0.000 1.049 277 T CB 0.656 69.530 68.868 0.009 0.000 1.001 277 T HN 0.795 nan 8.240 nan 0.000 0.525 278 N N 1.958 120.667 118.700 0.016 0.000 2.094 278 N HA -0.102 4.637 4.740 -0.000 0.000 0.191 278 N C 1.779 177.297 175.510 0.014 0.000 1.023 278 N CA 1.296 54.358 53.050 0.020 0.000 0.857 278 N CB -0.074 38.430 38.487 0.029 0.000 1.013 278 N HN 0.609 nan 8.380 nan 0.000 0.426 279 E N 0.590 120.799 120.200 0.015 0.000 2.110 279 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 279 E C 1.719 178.308 176.600 -0.018 0.000 0.988 279 E CA 0.713 57.115 56.400 0.003 0.000 0.804 279 E CB -0.122 29.588 29.700 0.017 0.000 0.745 279 E HN 0.578 nan 8.360 nan 0.000 0.458 280 E N 0.790 120.979 120.200 -0.019 0.000 2.072 280 E HA -0.123 4.227 4.350 -0.000 0.000 0.190 280 E C 2.325 178.896 176.600 -0.049 0.000 0.982 280 E CA 0.321 56.696 56.400 -0.041 0.000 0.803 280 E CB -0.048 29.624 29.700 -0.047 0.000 0.755 280 E HN 0.137 nan 8.360 nan 0.000 0.453 281 L N 0.776 121.985 121.223 -0.024 0.000 2.042 281 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 281 L C 2.209 179.076 176.870 -0.004 0.000 1.076 281 L CA 1.191 56.029 54.840 -0.004 0.000 0.749 281 L CB -0.136 41.940 42.059 0.028 0.000 0.893 281 L HN 0.240 nan 8.230 nan 0.000 0.432 282 L N -0.623 120.594 121.223 -0.010 0.000 2.191 282 L HA -0.189 4.151 4.340 -0.000 0.000 0.212 282 L C 1.859 178.713 176.870 -0.027 0.000 1.103 282 L CA 1.116 55.946 54.840 -0.016 0.000 0.769 282 L CB -0.469 41.571 42.059 -0.031 0.000 0.908 282 L HN 0.358 nan 8.230 nan 0.000 0.438 283 E N -0.081 120.095 120.200 -0.040 0.000 2.465 283 E HA 0.148 4.498 4.350 -0.000 0.000 0.191 283 E C 0.289 176.858 176.600 -0.052 0.000 1.053 283 E CA -0.304 56.069 56.400 -0.046 0.000 0.869 283 E CB 0.309 29.977 29.700 -0.053 0.000 0.977 283 E HN 0.406 nan 8.360 nan 0.000 0.483 284 L N 1.460 122.653 121.223 -0.050 0.000 2.461 284 L HA 0.015 4.355 4.340 -0.000 0.000 0.272 284 L C 0.505 177.365 176.870 -0.017 0.000 1.197 284 L CA -0.015 54.788 54.840 -0.062 0.000 0.836 284 L CB 0.311 42.352 42.059 -0.029 0.000 1.105 284 L HN -0.027 nan 8.230 nan 0.000 0.477 285 D N 2.660 123.052 120.400 -0.013 0.000 2.551 285 D HA 0.288 4.928 4.640 -0.000 0.000 0.223 285 D C -0.556 175.772 176.300 0.046 0.000 1.144 285 D CA -0.231 53.777 54.000 0.013 0.000 1.025 285 D CB 0.189 40.995 40.800 0.010 0.000 1.085 285 D HN 0.228 nan 8.370 nan 0.000 0.506 286 V N -0.140 119.801 119.914 0.046 0.000 2.960 286 V HA 0.463 4.583 4.120 -0.000 0.000 0.315 286 V C 0.764 176.883 176.094 0.042 0.000 1.087 286 V CA -0.772 61.563 62.300 0.058 0.000 0.982 286 V CB 2.102 33.971 31.823 0.076 0.000 1.039 286 V HN 0.041 nan 8.190 nan 0.000 0.437 287 D N 1.098 121.522 120.400 0.040 0.000 2.103 287 D HA 0.144 4.784 4.640 -0.000 0.000 0.199 287 D C 0.536 176.857 176.300 0.035 0.000 0.978 287 D CA 1.915 55.934 54.000 0.033 0.000 0.829 287 D CB 0.333 41.151 40.800 0.029 0.000 0.981 287 D HN 0.552 nan 8.370 nan 0.000 0.464 288 I N 0.989 121.583 120.570 0.040 0.000 2.498 288 I HA 0.204 4.374 4.170 -0.000 0.000 0.290 288 I C -1.059 175.086 176.117 0.047 0.000 1.032 288 I CA -0.986 60.339 61.300 0.042 0.000 1.073 288 I CB 2.774 40.798 38.000 0.040 0.000 1.251 288 I HN -0.190 nan 8.210 nan 0.000 0.426 289 L N 8.194 129.442 121.223 0.043 0.000 2.298 289 L HA 0.497 4.837 4.340 -0.000 0.000 0.284 289 L C -0.791 176.106 176.870 0.044 0.000 1.013 289 L CA -0.337 54.529 54.840 0.043 0.000 0.824 289 L CB 1.515 43.593 42.059 0.031 0.000 1.221 289 L HN 0.319 nan 8.230 nan 0.000 0.418 290 V N 7.831 127.776 119.914 0.051 0.000 2.240 290 V HA 0.361 4.481 4.120 -0.000 0.000 0.265 290 V C -2.078 174.046 176.094 0.050 0.000 1.073 290 V CA -1.164 61.166 62.300 0.050 0.000 0.857 290 V CB 0.844 32.701 31.823 0.057 0.000 1.114 290 V HN 0.682 nan 8.190 nan 0.000 0.469 291 P HA 0.269 nan 4.420 nan 0.000 0.273 291 P C -0.124 177.197 177.300 0.036 0.000 1.428 291 P CA 0.027 63.149 63.100 0.038 0.000 0.995 291 P CB 1.223 32.940 31.700 0.029 0.000 1.286 292 A N 2.992 125.838 122.820 0.043 0.000 3.154 292 A HA 0.620 4.940 4.320 -0.000 0.000 0.310 292 A C 0.767 178.374 177.584 0.038 0.000 1.093 292 A CA -0.059 51.999 52.037 0.036 0.000 1.006 292 A CB 0.000 19.023 19.000 0.038 0.000 1.084 292 A HN 0.485 nan 8.150 nan 0.000 0.549 293 A N 0.068 122.909 122.820 0.036 0.000 2.017 293 A HA 0.798 5.118 4.320 -0.000 0.000 0.194 293 A C 0.000 177.602 177.584 0.030 0.000 1.985 293 A CA 0.068 52.127 52.037 0.037 0.000 1.584 293 A CB 0.137 19.164 19.000 0.046 0.000 1.244 293 A HN 0.428 nan 8.150 nan 0.000 0.587 294 L N 0.475 121.718 121.223 0.034 0.000 2.298 294 L HA 0.458 4.798 4.340 -0.000 0.000 0.268 294 L C -0.306 176.584 176.870 0.034 0.000 1.010 294 L CA -0.840 54.019 54.840 0.032 0.000 0.812 294 L CB 1.356 43.437 42.059 0.037 0.000 1.331 294 L HN 0.544 nan 8.230 nan 0.000 0.450 295 E N -0.038 120.181 120.200 0.031 0.000 2.392 295 E HA 0.236 4.586 4.350 -0.000 0.000 0.259 295 E C 0.706 177.337 176.600 0.052 0.000 1.108 295 E CA 0.400 56.820 56.400 0.032 0.000 0.916 295 E CB 0.430 30.146 29.700 0.027 0.000 0.989 295 E HN 0.822 nan 8.360 nan 0.000 0.432 296 G N 1.162 109.999 108.800 0.061 0.000 2.212 296 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.267 296 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.267 296 G C 0.994 176.013 174.900 0.199 0.000 1.002 296 G CA 0.749 45.910 45.100 0.102 0.000 0.729 296 G HN 0.651 nan 8.290 nan 0.000 0.517 297 A N -0.362 122.540 122.820 0.135 0.000 1.859 297 A HA 0.170 4.490 4.320 -0.000 0.000 0.217 297 A C 1.453 179.091 177.584 0.089 0.000 1.198 297 A CA 1.425 53.540 52.037 0.130 0.000 0.629 297 A CB -0.124 18.914 19.000 0.063 0.000 0.830 297 A HN 0.870 nan 8.150 nan 0.000 0.446 298 I N 2.083 122.671 120.570 0.031 0.000 2.281 298 I HA 0.216 4.386 4.170 -0.000 0.000 0.293 298 I C 0.188 176.301 176.117 -0.008 0.000 1.085 298 I CA -0.357 60.905 61.300 -0.063 0.000 1.257 298 I CB 0.035 38.017 38.000 -0.030 0.000 1.430 298 I HN 0.561 nan 8.210 nan 0.000 0.489 299 H N 4.330 123.407 119.070 0.011 0.000 2.869 299 H HA 0.537 5.093 4.556 -0.000 0.000 0.342 299 H C 0.877 176.211 175.328 0.009 0.000 1.250 299 H CA -0.682 55.373 56.048 0.011 0.000 1.217 299 H CB 0.861 30.629 29.762 0.011 0.000 1.917 299 H HN 0.423 nan 8.280 nan 0.000 0.586 300 A N 0.582 123.514 122.820 0.187 0.000 1.906 300 A HA -0.315 4.005 4.320 -0.000 0.000 0.222 300 A C 2.399 180.025 177.584 0.070 0.000 1.282 300 A CA 3.331 55.431 52.037 0.105 0.000 0.675 300 A CB -1.909 17.154 19.000 0.105 0.000 0.838 300 A HN 0.915 nan 8.150 nan 0.000 0.469 301 G N -0.904 107.980 108.800 0.141 0.000 2.440 301 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.218 301 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.218 301 G C 1.347 176.216 174.900 -0.051 0.000 1.154 301 G CA 1.410 46.549 45.100 0.064 0.000 0.767 301 G HN 0.691 nan 8.290 nan 0.000 0.552 302 N N 1.167 119.744 118.700 -0.205 0.000 2.135 302 N HA 0.111 4.851 4.740 -0.000 0.000 0.186 302 N C 2.466 177.909 175.510 -0.111 0.000 1.027 302 N CA 1.170 54.097 53.050 -0.205 0.000 0.849 302 N CB -0.416 37.864 38.487 -0.346 0.000 1.002 302 N HN 0.314 nan 8.380 nan 0.000 0.425 303 A N 1.911 124.675 122.820 -0.093 0.000 1.900 303 A HA -0.332 3.988 4.320 -0.000 0.000 0.225 303 A C 1.957 179.523 177.584 -0.030 0.000 1.414 303 A CA 2.097 54.107 52.037 -0.045 0.000 0.702 303 A CB -0.867 18.122 19.000 -0.018 0.000 0.845 303 A HN 0.276 nan 8.150 nan 0.000 0.478 304 E N -0.528 119.659 120.200 -0.022 0.000 2.160 304 E HA -0.172 4.178 4.350 -0.000 0.000 0.195 304 E C 1.709 178.298 176.600 -0.018 0.000 0.991 304 E CA 1.265 57.657 56.400 -0.014 0.000 0.810 304 E CB -0.242 29.453 29.700 -0.008 0.000 0.742 304 E HN 0.716 nan 8.360 nan 0.000 0.466 305 R N 0.276 120.759 120.500 -0.028 0.000 2.466 305 R HA 0.306 4.646 4.340 -0.000 0.000 0.279 305 R C 0.294 176.575 176.300 -0.032 0.000 0.976 305 R CA -0.154 55.928 56.100 -0.029 0.000 1.081 305 R CB 0.375 30.656 30.300 -0.031 0.000 1.215 305 R HN 0.035 nan 8.270 nan 0.000 0.546 306 I N 1.604 122.155 120.570 -0.030 0.000 2.312 306 I HA 0.071 4.240 4.170 -0.000 0.000 0.291 306 I C 0.859 176.968 176.117 -0.014 0.000 1.031 306 I CA -0.021 61.263 61.300 -0.026 0.000 1.293 306 I CB 1.301 39.285 38.000 -0.027 0.000 1.403 306 I HN 0.014 nan 8.210 nan 0.000 0.484 307 K N 4.738 125.131 120.400 -0.012 0.000 2.444 307 K HA 0.208 4.527 4.320 -0.000 0.000 0.193 307 K C 0.746 177.349 176.600 0.005 0.000 1.024 307 K CA -0.119 56.165 56.287 -0.004 0.000 1.077 307 K CB 0.269 32.765 32.500 -0.007 0.000 0.833 307 K HN 0.697 nan 8.250 nan 0.000 0.517 308 A N 1.684 124.508 122.820 0.007 0.000 2.450 308 A HA 0.050 4.370 4.320 -0.000 0.000 0.255 308 A C 0.652 178.247 177.584 0.018 0.000 1.096 308 A CA -0.091 51.956 52.037 0.016 0.000 0.778 308 A CB 0.377 19.387 19.000 0.018 0.000 1.031 308 A HN 0.196 nan 8.150 nan 0.000 0.494 309 K N 1.110 121.524 120.400 0.023 0.000 2.217 309 K HA 0.179 4.499 4.320 -0.000 0.000 0.202 309 K C 0.575 177.193 176.600 0.029 0.000 1.051 309 K CA 1.355 57.656 56.287 0.024 0.000 0.952 309 K CB 0.027 32.542 32.500 0.026 0.000 0.736 309 K HN 0.790 nan 8.250 nan 0.000 0.453 310 A N 0.567 123.408 122.820 0.034 0.000 2.549 310 A HA 0.532 4.852 4.320 -0.000 0.000 0.297 310 A C -1.342 176.266 177.584 0.040 0.000 1.061 310 A CA -0.706 51.356 52.037 0.042 0.000 0.690 310 A CB 1.851 20.884 19.000 0.055 0.000 1.287 310 A HN -0.097 nan 8.150 nan 0.000 0.402 311 V N 1.908 121.846 119.914 0.040 0.000 2.407 311 V HA 0.427 4.546 4.120 -0.000 0.000 0.291 311 V C -0.521 175.600 176.094 0.045 0.000 1.018 311 V CA -0.523 61.798 62.300 0.036 0.000 0.842 311 V CB 1.504 33.343 31.823 0.025 0.000 0.996 311 V HN 0.661 nan 8.190 nan 0.000 0.426 312 V N 4.424 124.367 119.914 0.047 0.000 2.277 312 V HA 0.257 4.377 4.120 -0.000 0.000 0.269 312 V C 0.592 176.709 176.094 0.039 0.000 1.036 312 V CA -0.581 61.751 62.300 0.053 0.000 0.821 312 V CB 0.724 32.581 31.823 0.056 0.000 1.052 312 V HN 0.911 nan 8.190 nan 0.000 0.462 313 E N 3.594 123.811 120.200 0.029 0.000 2.175 313 E HA 0.015 4.365 4.350 -0.000 0.000 0.247 313 E C 1.429 178.038 176.600 0.014 0.000 1.259 313 E CA 0.297 56.707 56.400 0.016 0.000 0.969 313 E CB 0.605 30.305 29.700 -0.001 0.000 1.051 313 E HN 0.844 nan 8.360 nan 0.000 0.448 314 G N 2.821 111.634 108.800 0.021 0.000 2.448 314 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.218 314 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.218 314 G C 0.636 175.542 174.900 0.011 0.000 1.135 314 G CA 0.605 45.718 45.100 0.022 0.000 0.784 314 G HN 0.525 nan 8.290 nan 0.000 0.543 315 A N -0.198 122.626 122.820 0.007 0.000 2.352 315 A HA 0.669 4.989 4.320 -0.000 0.000 0.299 315 A C -0.432 177.139 177.584 -0.021 0.000 1.160 315 A CA -0.759 51.277 52.037 -0.002 0.000 0.933 315 A CB 0.643 19.647 19.000 0.007 0.000 1.387 315 A HN 0.111 nan 8.150 nan 0.000 0.487 316 N N 0.240 118.922 118.700 -0.030 0.000 2.444 316 N HA 0.417 5.157 4.740 -0.000 0.000 0.271 316 N C 0.632 176.111 175.510 -0.052 0.000 1.069 316 N CA 1.057 54.070 53.050 -0.061 0.000 0.965 316 N CB 1.058 39.505 38.487 -0.068 0.000 1.092 316 N HN 1.307 nan 8.380 nan 0.000 0.476 317 G N 3.254 112.010 108.800 -0.073 0.000 2.356 317 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.296 317 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.296 317 G C -1.572 173.326 174.900 -0.004 0.000 1.022 317 G CA -0.298 44.776 45.100 -0.044 0.000 0.961 317 G HN 0.483 nan 8.290 nan 0.000 0.510 318 P HA 0.003 nan 4.420 nan 0.000 0.217 318 P C 1.397 178.717 177.300 0.033 0.000 1.151 318 P CA 1.890 65.003 63.100 0.022 0.000 0.828 318 P CB 0.124 31.834 31.700 0.017 0.000 0.788 319 T N -2.197 112.371 114.554 0.023 0.000 2.767 319 T HA 0.421 4.771 4.350 -0.000 0.000 0.288 319 T C 0.246 174.968 174.700 0.037 0.000 0.963 319 T CA -0.712 61.406 62.100 0.029 0.000 1.019 319 T CB 0.402 69.281 68.868 0.018 0.000 0.923 319 T HN -0.012 nan 8.240 nan 0.000 0.468 320 T N 1.750 116.337 114.554 0.056 0.000 2.899 320 T HA 0.293 4.643 4.350 -0.000 0.000 0.295 320 T C -1.288 173.439 174.700 0.045 0.000 1.033 320 T CA -1.655 60.480 62.100 0.057 0.000 1.084 320 T CB 0.588 69.505 68.868 0.080 0.000 0.979 320 T HN 0.368 nan 8.240 nan 0.000 0.532 321 P HA -0.164 nan 4.420 nan 0.000 0.216 321 P C 1.274 178.593 177.300 0.031 0.000 1.150 321 P CA 1.224 64.345 63.100 0.035 0.000 0.843 321 P CB 0.163 31.882 31.700 0.032 0.000 0.787 322 E N 0.485 120.706 120.200 0.035 0.000 2.058 322 E HA -0.152 4.197 4.350 -0.000 0.000 0.194 322 E C 2.279 178.898 176.600 0.031 0.000 0.997 322 E CA 1.595 58.015 56.400 0.033 0.000 0.801 322 E CB -1.242 28.483 29.700 0.042 0.000 0.746 322 E HN 0.253 nan 8.360 nan 0.000 0.450 323 A N 1.940 124.782 122.820 0.038 0.000 1.933 323 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 323 A C 1.911 179.506 177.584 0.018 0.000 1.175 323 A CA 1.685 53.737 52.037 0.025 0.000 0.628 323 A CB -0.393 18.622 19.000 0.025 0.000 0.814 323 A HN 0.102 nan 8.150 nan 0.000 0.444 324 D N -0.175 120.239 120.400 0.023 0.000 2.092 324 D HA -0.171 4.469 4.640 -0.000 0.000 0.193 324 D C 1.907 178.217 176.300 0.016 0.000 0.994 324 D CA 1.652 55.664 54.000 0.021 0.000 0.828 324 D CB -0.357 40.459 40.800 0.027 0.000 0.963 324 D HN 0.632 nan 8.370 nan 0.000 0.450 325 E N 0.342 120.551 120.200 0.016 0.000 2.070 325 E HA -0.179 4.170 4.350 -0.000 0.000 0.197 325 E C 2.436 179.043 176.600 0.011 0.000 1.004 325 E CA 0.735 57.143 56.400 0.013 0.000 0.805 325 E CB -0.115 29.592 29.700 0.012 0.000 0.744 325 E HN 0.360 nan 8.360 nan 0.000 0.451 326 I N 0.899 121.476 120.570 0.011 0.000 2.202 326 I HA -0.282 3.888 4.170 -0.000 0.000 0.242 326 I C 2.455 178.575 176.117 0.006 0.000 1.091 326 I CA 0.981 62.286 61.300 0.008 0.000 1.368 326 I CB -0.323 37.681 38.000 0.007 0.000 1.058 326 I HN 0.097 nan 8.210 nan 0.000 0.410 327 L N 0.137 121.364 121.223 0.006 0.000 2.012 327 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 327 L C 2.730 179.605 176.870 0.008 0.000 1.073 327 L CA 1.437 56.281 54.840 0.006 0.000 0.748 327 L CB -0.647 41.416 42.059 0.007 0.000 0.891 327 L HN 0.203 nan 8.230 nan 0.000 0.431 328 S N -0.710 114.996 115.700 0.009 0.000 2.368 328 S HA -0.197 4.273 4.470 -0.000 0.000 0.225 328 S C 2.045 176.650 174.600 0.008 0.000 1.030 328 S CA 1.105 59.311 58.200 0.009 0.000 0.999 328 S CB -0.332 62.874 63.200 0.010 0.000 0.844 328 S HN 0.329 nan 8.310 nan 0.000 0.459 329 R N 1.286 121.790 120.500 0.008 0.000 2.096 329 R HA 0.003 4.343 4.340 -0.000 0.000 0.235 329 R C 1.971 178.275 176.300 0.006 0.000 1.127 329 R CA 1.134 57.238 56.100 0.007 0.000 0.968 329 R CB -0.068 30.235 30.300 0.006 0.000 0.861 329 R HN 0.306 nan 8.270 nan 0.000 0.440 330 R N -1.027 119.476 120.500 0.006 0.000 2.313 330 R HA 0.060 4.400 4.340 -0.000 0.000 0.199 330 R C 1.019 177.323 176.300 0.007 0.000 0.958 330 R CA 0.581 56.684 56.100 0.005 0.000 1.047 330 R CB 0.338 30.640 30.300 0.004 0.000 0.955 330 R HN 0.505 nan 8.270 nan 0.000 0.481 331 G N 1.454 110.259 108.800 0.009 0.000 2.143 331 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.249 331 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.249 331 G C 0.171 175.079 174.900 0.013 0.000 0.981 331 G CA -0.229 44.877 45.100 0.011 0.000 0.665 331 G HN 0.259 nan 8.290 nan 0.000 0.528 332 I N 1.071 121.649 120.570 0.012 0.000 2.379 332 I HA 0.281 4.451 4.170 -0.000 0.000 0.290 332 I C 0.802 176.930 176.117 0.018 0.000 1.063 332 I CA -0.902 60.407 61.300 0.015 0.000 1.351 332 I CB 0.965 38.972 38.000 0.012 0.000 1.410 332 I HN 0.102 nan 8.210 nan 0.000 0.505 333 L N 9.108 130.346 121.223 0.025 0.000 2.410 333 L HA 0.195 4.535 4.340 -0.000 0.000 0.273 333 L C -0.286 176.602 176.870 0.031 0.000 1.152 333 L CA 0.426 55.284 54.840 0.029 0.000 0.855 333 L CB 0.864 42.951 42.059 0.046 0.000 1.129 333 L HN 0.314 nan 8.230 nan 0.000 0.463 334 V N 6.569 126.496 119.914 0.021 0.000 2.325 334 V HA 0.245 4.365 4.120 -0.000 0.000 0.280 334 V C -0.192 175.910 176.094 0.013 0.000 1.016 334 V CA -0.815 61.497 62.300 0.020 0.000 0.818 334 V CB 1.458 33.289 31.823 0.013 0.000 1.019 334 V HN 0.513 nan 8.190 nan 0.000 0.434 335 V N 8.671 128.608 119.914 0.038 0.000 2.421 335 V HA 0.146 4.266 4.120 -0.000 0.000 0.271 335 V C -1.561 174.538 176.094 0.007 0.000 1.031 335 V CA -1.221 61.105 62.300 0.043 0.000 1.032 335 V CB 0.710 32.613 31.823 0.134 0.000 1.009 335 V HN 0.683 nan 8.190 nan 0.000 0.477 336 P HA 0.014 nan 4.420 nan 0.000 0.265 336 P C 0.197 177.458 177.300 -0.065 0.000 1.193 336 P CA -0.009 63.048 63.100 -0.071 0.000 0.765 336 P CB 0.723 32.335 31.700 -0.146 0.000 0.823 337 D N 3.968 124.325 120.400 -0.071 0.000 2.133 337 D HA -0.255 4.385 4.640 -0.000 0.000 0.195 337 D C 1.783 178.039 176.300 -0.073 0.000 0.997 337 D CA 1.279 55.241 54.000 -0.064 0.000 0.840 337 D CB -1.071 39.681 40.800 -0.079 0.000 0.947 337 D HN 0.503 nan 8.370 nan 0.000 0.452 338 I N -1.730 118.769 120.570 -0.118 0.000 2.399 338 I HA -0.203 3.967 4.170 -0.000 0.000 0.254 338 I C 2.083 178.166 176.117 -0.057 0.000 1.146 338 I CA 1.094 62.337 61.300 -0.094 0.000 1.412 338 I CB -0.353 37.561 38.000 -0.143 0.000 1.076 338 I HN 0.099 nan 8.210 nan 0.000 0.432 339 L N 1.522 122.711 121.223 -0.056 0.000 2.189 339 L HA 0.339 4.679 4.340 -0.000 0.000 0.199 339 L C 2.635 179.522 176.870 0.030 0.000 1.074 339 L CA 1.745 56.581 54.840 -0.007 0.000 0.783 339 L CB -0.889 41.166 42.059 -0.007 0.000 0.955 339 L HN 0.153 nan 8.230 nan 0.000 0.460 340 A N 1.196 124.034 122.820 0.030 0.000 1.859 340 A HA -0.271 4.049 4.320 -0.000 0.000 0.217 340 A C 1.815 179.415 177.584 0.026 0.000 1.198 340 A CA 2.178 54.241 52.037 0.043 0.000 0.629 340 A CB -1.309 17.713 19.000 0.037 0.000 0.830 340 A HN 0.755 nan 8.150 nan 0.000 0.446 341 N N 0.005 118.709 118.700 0.007 0.000 2.383 341 N HA 0.320 5.060 4.740 -0.000 0.000 0.192 341 N C 1.010 176.519 175.510 -0.002 0.000 1.141 341 N CA 0.999 54.051 53.050 0.003 0.000 0.851 341 N CB -0.426 38.059 38.487 -0.004 0.000 0.976 341 N HN 0.364 nan 8.380 nan 0.000 0.465 342 A N 0.385 123.206 122.820 0.001 0.000 2.131 342 A HA 0.064 4.384 4.320 -0.000 0.000 0.220 342 A C 2.236 179.815 177.584 -0.009 0.000 1.158 342 A CA 1.211 53.246 52.037 -0.003 0.000 0.665 342 A CB -1.384 17.618 19.000 0.002 0.000 0.795 342 A HN 0.423 nan 8.150 nan 0.000 0.460 343 G N -0.064 108.736 108.800 -0.001 0.000 2.503 343 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.221 343 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.221 343 G C 1.505 176.389 174.900 -0.026 0.000 1.131 343 G CA 1.339 46.436 45.100 -0.006 0.000 0.756 343 G HN 0.701 nan 8.290 nan 0.000 0.572 344 G N 0.328 109.113 108.800 -0.025 0.000 2.421 344 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.216 344 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.216 344 G C 1.794 176.670 174.900 -0.040 0.000 1.171 344 G CA 1.363 46.443 45.100 -0.032 0.000 0.775 344 G HN 0.357 nan 8.290 nan 0.000 0.543 345 V N 1.147 121.040 119.914 -0.035 0.000 2.343 345 V HA -0.183 3.937 4.120 -0.000 0.000 0.247 345 V C 3.149 179.226 176.094 -0.028 0.000 1.051 345 V CA 2.321 64.605 62.300 -0.027 0.000 1.036 345 V CB -1.175 30.639 31.823 -0.015 0.000 0.654 345 V HN 0.401 nan 8.190 nan 0.000 0.451 346 T N 0.289 114.791 114.554 -0.087 0.000 2.699 346 T HA -0.193 4.157 4.350 -0.000 0.000 0.268 346 T C 1.910 176.294 174.700 -0.526 0.000 1.036 346 T CA 1.789 63.746 62.100 -0.238 0.000 1.147 346 T CB -0.338 68.416 68.868 -0.190 0.000 0.862 346 T HN 0.317 nan 8.240 nan 0.000 0.446 347 V N 2.111 121.858 119.914 -0.278 0.000 2.453 347 V HA -0.141 3.979 4.120 -0.000 0.000 0.247 347 V C 2.825 178.893 176.094 -0.045 0.000 1.048 347 V CA 1.761 63.969 62.300 -0.155 0.000 1.049 347 V CB -0.877 30.956 31.823 0.017 0.000 0.672 347 V HN 0.671 nan 8.190 nan 0.000 0.457 348 S N 0.022 115.716 115.700 -0.010 0.000 2.399 348 S HA -0.296 4.174 4.470 -0.000 0.000 0.231 348 S C 2.012 176.729 174.600 0.195 0.000 1.022 348 S CA 1.767 59.997 58.200 0.051 0.000 0.983 348 S CB -0.777 62.416 63.200 -0.011 0.000 0.803 348 S HN 0.649 nan 8.310 nan 0.000 0.480 349 Y N 2.377 122.742 120.300 0.108 0.000 2.114 349 Y HA -0.062 4.488 4.550 -0.000 0.000 0.284 349 Y C 1.793 177.889 175.900 0.327 0.000 1.143 349 Y CA 1.015 59.326 58.100 0.351 0.000 1.135 349 Y CB -0.977 37.559 38.460 0.127 0.000 0.980 349 Y HN 0.208 nan 8.280 nan 0.000 0.499 350 F N 1.195 121.091 119.950 -0.092 0.000 2.161 350 F HA -0.175 4.352 4.527 -0.000 0.000 0.300 350 F C 2.632 178.162 175.800 -0.450 0.000 1.089 350 F CA 1.525 59.259 58.000 -0.443 0.000 1.282 350 F CB -1.337 37.492 39.000 -0.286 0.000 1.010 350 F HN 0.276 nan 8.300 nan 0.000 0.485 351 E N -0.772 119.441 120.200 0.021 0.000 2.031 351 E HA -0.278 4.072 4.350 -0.000 0.000 0.193 351 E C 2.248 178.882 176.600 0.056 0.000 0.994 351 E CA 1.493 57.900 56.400 0.012 0.000 0.800 351 E CB -0.531 29.214 29.700 0.075 0.000 0.752 351 E HN 0.394 nan 8.360 nan 0.000 0.447 352 W N 1.015 122.301 121.300 -0.023 0.000 2.318 352 W HA -0.259 4.401 4.660 -0.000 0.000 0.313 352 W C 1.964 178.451 176.519 -0.053 0.000 1.221 352 W CA 1.897 59.257 57.345 0.025 0.000 1.266 352 W CB -0.682 28.909 29.460 0.220 0.000 1.150 352 W HN -0.038 nan 8.180 nan 0.000 0.496 353 V N 0.918 120.758 119.914 -0.124 0.000 2.220 353 V HA -0.408 3.712 4.120 -0.000 0.000 0.246 353 V C 2.390 178.254 176.094 -0.383 0.000 1.049 353 V CA 2.616 64.711 62.300 -0.342 0.000 1.003 353 V CB -1.401 30.224 31.823 -0.329 0.000 0.634 353 V HN 0.256 nan 8.190 nan 0.000 0.444 354 Q N -0.344 119.150 119.800 -0.510 0.000 2.133 354 Q HA -0.278 4.062 4.340 -0.000 0.000 0.208 354 Q C 2.079 177.709 176.000 -0.616 0.000 0.991 354 Q CA 2.037 57.460 55.803 -0.633 0.000 0.867 354 Q CB -0.353 27.931 28.738 -0.757 0.000 0.911 354 Q HN 0.662 nan 8.270 nan 0.000 0.417 355 D N 0.496 120.662 120.400 -0.390 0.000 2.097 355 D HA -0.141 4.499 4.640 -0.000 0.000 0.195 355 D C 2.005 178.155 176.300 -0.250 0.000 0.989 355 D CA 0.965 54.819 54.000 -0.243 0.000 0.827 355 D CB -0.232 40.538 40.800 -0.051 0.000 0.966 355 D HN 0.234 nan 8.370 nan 0.000 0.456 356 L N 0.672 121.694 121.223 -0.334 0.000 2.043 356 L HA -0.220 4.120 4.340 -0.000 0.000 0.212 356 L C 2.347 179.112 176.870 -0.174 0.000 1.075 356 L CA 1.436 56.103 54.840 -0.288 0.000 0.752 356 L CB -0.519 41.282 42.059 -0.429 0.000 0.891 356 L HN 0.170 nan 8.230 nan 0.000 0.432 357 Q N -1.431 118.257 119.800 -0.186 0.000 2.319 357 Q HA 0.111 4.451 4.340 -0.000 0.000 0.202 357 Q C 0.730 176.665 176.000 -0.108 0.000 0.896 357 Q CA 0.511 56.248 55.803 -0.109 0.000 0.942 357 Q CB 0.592 29.298 28.738 -0.054 0.000 1.083 357 Q HN 0.233 nan 8.270 nan 0.000 0.510 358 S N -0.368 115.199 115.700 -0.221 0.000 3.225 358 S HA -0.216 4.254 4.470 -0.000 0.000 0.308 358 S C -0.373 174.057 174.600 -0.283 0.000 1.270 358 S CA 1.079 59.131 58.200 -0.248 0.000 1.011 358 S CB -1.347 61.836 63.200 -0.028 0.000 1.138 358 S HN 0.664 nan 8.310 nan 0.000 0.661 359 F N 1.304 120.958 119.950 -0.493 0.000 2.458 359 F HA 0.675 5.202 4.527 -0.000 0.000 0.336 359 F C -0.431 175.097 175.800 -0.454 0.000 1.114 359 F CA -1.532 56.301 58.000 -0.279 0.000 0.987 359 F CB 0.726 39.688 39.000 -0.064 0.000 1.130 359 F HN -0.033 nan 8.300 nan 0.000 0.458 360 F N 4.402 124.074 119.950 -0.463 0.000 2.443 360 F HA 0.393 4.920 4.527 -0.000 0.000 0.335 360 F C -0.733 174.926 175.800 -0.235 0.000 1.104 360 F CA -0.843 56.959 58.000 -0.330 0.000 1.013 360 F CB 0.801 39.650 39.000 -0.252 0.000 1.136 360 F HN 0.301 nan 8.300 nan 0.000 0.470 361 W N 1.564 122.806 121.300 -0.097 0.000 2.237 361 W HA 0.311 4.971 4.660 -0.000 0.000 0.335 361 W C -0.169 176.308 176.519 -0.071 0.000 1.230 361 W CA -1.578 55.702 57.345 -0.108 0.000 1.253 361 W CB 0.112 29.516 29.460 -0.093 0.000 1.129 361 W HN 0.499 nan 8.180 nan 0.000 0.590 362 D N -0.060 120.436 120.400 0.160 0.000 2.312 362 D HA 0.212 4.852 4.640 -0.000 0.000 0.248 362 D C 1.153 177.505 176.300 0.087 0.000 1.086 362 D CA -0.665 53.382 54.000 0.077 0.000 0.948 362 D CB 0.914 41.734 40.800 0.032 0.000 1.162 362 D HN 0.133 nan 8.370 nan 0.000 0.446 363 L N 1.335 122.588 121.223 0.050 0.000 2.011 363 L HA -0.325 4.015 4.340 -0.000 0.000 0.225 363 L C 1.176 178.073 176.870 0.046 0.000 1.084 363 L CA 2.356 57.222 54.840 0.043 0.000 0.791 363 L CB -0.995 41.074 42.059 0.016 0.000 0.898 363 L HN 0.626 nan 8.230 nan 0.000 0.440 364 D N -1.341 119.076 120.400 0.027 0.000 2.126 364 D HA -0.270 4.370 4.640 -0.000 0.000 0.190 364 D C 2.161 178.466 176.300 0.008 0.000 1.001 364 D CA 1.876 55.885 54.000 0.014 0.000 0.841 364 D CB -0.175 40.624 40.800 -0.001 0.000 0.949 364 D HN 0.561 nan 8.370 nan 0.000 0.446 365 Q N 0.090 119.891 119.800 0.002 0.000 2.061 365 Q HA -0.160 4.180 4.340 -0.000 0.000 0.204 365 Q C 2.417 178.419 176.000 0.004 0.000 0.984 365 Q CA 1.247 57.017 55.803 -0.055 0.000 0.846 365 Q CB -0.174 28.503 28.738 -0.101 0.000 0.902 365 Q HN 0.235 nan 8.270 nan 0.000 0.421 366 V N 1.020 121.016 119.914 0.137 0.000 2.287 366 V HA -0.308 3.811 4.120 -0.000 0.000 0.248 366 V C 2.228 178.416 176.094 0.157 0.000 1.053 366 V CA 2.040 64.451 62.300 0.185 0.000 1.027 366 V CB -0.659 31.294 31.823 0.215 0.000 0.646 366 V HN 0.317 nan 8.190 nan 0.000 0.447 367 R N 0.394 120.955 120.500 0.103 0.000 2.080 367 R HA -0.210 4.130 4.340 -0.000 0.000 0.236 367 R C 2.209 178.557 176.300 0.080 0.000 1.137 367 R CA 2.226 58.377 56.100 0.085 0.000 0.943 367 R CB -0.630 29.696 30.300 0.043 0.000 0.846 367 R HN 0.647 nan 8.270 nan 0.000 0.431 368 N N 0.410 119.131 118.700 0.036 0.000 2.069 368 N HA -0.189 4.551 4.740 -0.000 0.000 0.191 368 N C 1.825 177.360 175.510 0.041 0.000 1.031 368 N CA 1.377 54.437 53.050 0.016 0.000 0.852 368 N CB -0.203 38.266 38.487 -0.031 0.000 1.018 368 N HN 0.243 nan 8.380 nan 0.000 0.423 369 A N 0.775 123.602 122.820 0.012 0.000 1.933 369 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 369 A C 2.118 179.922 177.584 0.366 0.000 1.175 369 A CA 0.977 53.038 52.037 0.040 0.000 0.628 369 A CB -0.679 18.085 19.000 -0.393 0.000 0.814 369 A HN 0.261 nan 8.150 nan 0.000 0.444 370 L N 0.157 121.648 121.223 0.448 0.000 2.017 370 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 370 L C 2.186 179.194 176.870 0.230 0.000 1.073 370 L CA 2.412 57.515 54.840 0.438 0.000 0.745 370 L CB -0.692 41.567 42.059 0.332 0.000 0.894 370 L HN 0.508 nan 8.230 nan 0.000 0.432 371 E N -0.563 119.730 120.200 0.154 0.000 2.106 371 E HA -0.256 4.094 4.350 -0.000 0.000 0.192 371 E C 2.102 178.757 176.600 0.092 0.000 0.984 371 E CA 1.044 57.500 56.400 0.092 0.000 0.806 371 E CB -0.124 29.608 29.700 0.055 0.000 0.750 371 E HN 0.483 nan 8.360 nan 0.000 0.458 372 K N 1.001 121.466 120.400 0.108 0.000 2.009 372 K HA -0.169 4.151 4.320 -0.000 0.000 0.210 372 K C 2.158 178.830 176.600 0.121 0.000 1.049 372 K CA 1.515 57.860 56.287 0.097 0.000 0.929 372 K CB -0.028 32.527 32.500 0.091 0.000 0.714 372 K HN 0.060 nan 8.250 nan 0.000 0.440 373 M N -0.071 119.634 119.600 0.175 0.000 2.229 373 M HA -0.148 4.332 4.480 -0.000 0.000 0.264 373 M C 2.266 178.642 176.300 0.127 0.000 1.063 373 M CA 1.044 56.444 55.300 0.167 0.000 1.114 373 M CB -0.162 32.575 32.600 0.229 0.000 1.387 373 M HN 0.217 nan 8.290 nan 0.000 0.420 374 M N 0.515 120.186 119.600 0.119 0.000 2.086 374 M HA -0.164 4.316 4.480 -0.000 0.000 0.261 374 M C 1.990 178.359 176.300 0.114 0.000 1.067 374 M CA 1.849 57.210 55.300 0.102 0.000 1.116 374 M CB -1.039 31.606 32.600 0.075 0.000 1.348 374 M HN 0.195 nan 8.290 nan 0.000 0.407 375 K N -0.504 119.944 120.400 0.080 0.000 2.063 375 K HA -0.113 4.207 4.320 -0.000 0.000 0.208 375 K C 2.068 178.750 176.600 0.137 0.000 1.048 375 K CA 1.394 57.726 56.287 0.075 0.000 0.928 375 K CB -0.554 31.967 32.500 0.036 0.000 0.713 375 K HN 0.470 nan 8.250 nan 0.000 0.442 376 G N 1.301 110.169 108.800 0.113 0.000 2.453 376 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.215 376 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.215 376 G C 1.657 176.624 174.900 0.112 0.000 1.201 376 G CA 1.083 46.245 45.100 0.104 0.000 0.784 376 G HN 0.365 nan 8.290 nan 0.000 0.545 377 A N 0.273 123.160 122.820 0.112 0.000 1.908 377 A HA -0.010 4.310 4.320 -0.000 0.000 0.218 377 A C 2.202 179.851 177.584 0.109 0.000 1.181 377 A CA 1.743 53.834 52.037 0.090 0.000 0.627 377 A CB -0.639 18.409 19.000 0.079 0.000 0.818 377 A HN 0.401 nan 8.150 nan 0.000 0.445 378 F N 1.398 121.354 119.950 0.010 0.000 2.046 378 F HA -0.260 4.267 4.527 -0.000 0.000 0.297 378 F C 2.298 178.103 175.800 0.008 0.000 1.123 378 F CA 2.331 60.334 58.000 0.006 0.000 1.199 378 F CB -0.274 38.733 39.000 0.011 0.000 0.972 378 F HN 0.237 nan 8.300 nan 0.000 0.474 379 N N 0.594 119.454 118.700 0.268 0.000 2.104 379 N HA -0.205 4.535 4.740 -0.000 0.000 0.190 379 N C 1.417 176.945 175.510 0.029 0.000 1.024 379 N CA 1.772 54.908 53.050 0.143 0.000 0.853 379 N CB -0.681 37.894 38.487 0.147 0.000 1.008 379 N HN 0.387 nan 8.380 nan 0.000 0.424 380 D N 0.579 120.996 120.400 0.029 0.000 2.144 380 D HA -0.078 4.562 4.640 -0.000 0.000 0.199 380 D C 2.124 178.403 176.300 -0.036 0.000 0.984 380 D CA 0.504 54.507 54.000 0.004 0.000 0.834 380 D CB -0.282 40.528 40.800 0.015 0.000 0.955 380 D HN 0.051 nan 8.370 nan 0.000 0.465 381 V N 1.010 120.873 119.914 -0.086 0.000 2.358 381 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 381 V C 2.474 178.477 176.094 -0.152 0.000 1.047 381 V CA 1.069 63.287 62.300 -0.136 0.000 1.035 381 V CB -0.315 31.383 31.823 -0.209 0.000 0.658 381 V HN 0.183 nan 8.190 nan 0.000 0.452 382 M N -0.067 119.409 119.600 -0.207 0.000 2.108 382 M HA -0.205 4.275 4.480 -0.000 0.000 0.261 382 M C 2.159 178.423 176.300 -0.060 0.000 1.066 382 M CA 1.816 57.017 55.300 -0.165 0.000 1.107 382 M CB -1.166 31.345 32.600 -0.149 0.000 1.356 382 M HN 0.345 nan 8.290 nan 0.000 0.406 383 K N -0.340 120.042 120.400 -0.030 0.000 2.032 383 K HA -0.137 4.183 4.320 -0.000 0.000 0.209 383 K C 1.973 178.590 176.600 0.029 0.000 1.048 383 K CA 1.516 57.804 56.287 0.003 0.000 0.927 383 K CB -0.431 32.075 32.500 0.010 0.000 0.712 383 K HN 0.180 nan 8.250 nan 0.000 0.441 384 V N 1.913 121.847 119.914 0.035 0.000 2.407 384 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 384 V C 2.387 178.563 176.094 0.137 0.000 1.055 384 V CA 1.725 64.092 62.300 0.112 0.000 1.049 384 V CB -0.503 31.340 31.823 0.034 0.000 0.662 384 V HN 0.356 nan 8.190 nan 0.000 0.455 385 K N 0.460 120.878 120.400 0.031 0.000 2.009 385 K HA -0.264 4.056 4.320 -0.000 0.000 0.210 385 K C 2.144 178.776 176.600 0.053 0.000 1.049 385 K CA 2.228 58.528 56.287 0.021 0.000 0.929 385 K CB -0.200 32.273 32.500 -0.044 0.000 0.714 385 K HN 0.584 nan 8.250 nan 0.000 0.440 386 E N 0.388 120.605 120.200 0.029 0.000 2.077 386 E HA -0.216 4.133 4.350 -0.000 0.000 0.193 386 E C 2.105 178.715 176.600 0.017 0.000 0.989 386 E CA 1.253 57.664 56.400 0.019 0.000 0.800 386 E CB -0.031 29.672 29.700 0.006 0.000 0.746 386 E HN 0.301 nan 8.360 nan 0.000 0.452 387 K N 0.163 120.580 120.400 0.028 0.000 2.097 387 K HA -0.171 4.149 4.320 -0.000 0.000 0.206 387 K C 1.314 177.816 176.600 -0.164 0.000 1.049 387 K CA 1.364 57.617 56.287 -0.058 0.000 0.933 387 K CB 0.009 32.483 32.500 -0.043 0.000 0.717 387 K HN 0.167 nan 8.250 nan 0.000 0.442 388 Y N -0.386 119.898 120.300 -0.027 0.000 2.458 388 Y HA 0.131 4.681 4.550 -0.000 0.000 0.254 388 Y C 0.176 176.062 175.900 -0.024 0.000 1.120 388 Y CA 0.040 58.124 58.100 -0.026 0.000 1.282 388 Y CB 0.311 38.753 38.460 -0.030 0.000 1.109 388 Y HN 0.182 nan 8.280 nan 0.000 0.526 389 N N 0.605 119.366 118.700 0.102 0.000 2.696 389 N HA -0.159 4.581 4.740 -0.000 0.000 0.256 389 N C -1.032 174.513 175.510 0.058 0.000 1.031 389 N CA 0.724 53.806 53.050 0.053 0.000 0.730 389 N CB -0.903 37.599 38.487 0.024 0.000 0.894 389 N HN 0.189 nan 8.380 nan 0.000 0.544 390 V N -2.891 117.059 119.914 0.061 0.000 3.119 390 V HA 0.674 4.794 4.120 -0.000 0.000 0.311 390 V C 0.352 176.453 176.094 0.012 0.000 1.259 390 V CA -0.920 61.401 62.300 0.036 0.000 1.067 390 V CB 1.402 33.245 31.823 0.033 0.000 1.123 390 V HN 0.197 nan 8.190 nan 0.000 0.463 391 D N 0.066 120.470 120.400 0.006 0.000 2.389 391 D HA 0.148 4.788 4.640 -0.000 0.000 0.247 391 D C 1.059 177.349 176.300 -0.018 0.000 1.128 391 D CA 0.331 54.331 54.000 -0.001 0.000 0.884 391 D CB 1.187 41.993 40.800 0.011 0.000 1.194 391 D HN 0.724 nan 8.370 nan 0.000 0.441 392 M N 3.712 123.288 119.600 -0.040 0.000 2.143 392 M HA -0.253 4.227 4.480 -0.000 0.000 0.258 392 M C 2.000 178.248 176.300 -0.086 0.000 1.071 392 M CA 1.594 56.844 55.300 -0.083 0.000 1.088 392 M CB 0.023 32.555 32.600 -0.114 0.000 1.360 392 M HN 0.523 nan 8.290 nan 0.000 0.404 393 R N -0.718 119.755 120.500 -0.045 0.000 2.080 393 R HA -0.151 4.189 4.340 -0.000 0.000 0.236 393 R C 1.777 178.101 176.300 0.040 0.000 1.137 393 R CA 2.376 58.456 56.100 -0.033 0.000 0.943 393 R CB -0.539 29.796 30.300 0.058 0.000 0.846 393 R HN 0.408 nan 8.270 nan 0.000 0.431 394 T N 0.774 115.385 114.554 0.094 0.000 2.720 394 T HA -0.137 4.213 4.350 -0.000 0.000 0.268 394 T C 1.888 176.586 174.700 -0.003 0.000 1.037 394 T CA 1.351 63.517 62.100 0.110 0.000 1.144 394 T CB -0.366 68.513 68.868 0.018 0.000 0.864 394 T HN 0.457 nan 8.240 nan 0.000 0.444 395 A N 1.730 124.510 122.820 -0.067 0.000 1.883 395 A HA 0.098 4.418 4.320 -0.000 0.000 0.217 395 A C 2.719 180.224 177.584 -0.131 0.000 1.186 395 A CA 1.974 53.939 52.037 -0.121 0.000 0.624 395 A CB -1.275 17.671 19.000 -0.091 0.000 0.822 395 A HN 0.530 nan 8.150 nan 0.000 0.444 396 A N -1.410 121.316 122.820 -0.156 0.000 1.908 396 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 396 A C 2.094 179.558 177.584 -0.199 0.000 1.181 396 A CA 1.766 53.678 52.037 -0.208 0.000 0.627 396 A CB -0.835 17.978 19.000 -0.312 0.000 0.818 396 A HN 0.592 nan 8.150 nan 0.000 0.445 397 Y N -0.125 120.132 120.300 -0.072 0.000 2.200 397 Y HA -0.114 4.436 4.550 -0.000 0.000 0.290 397 Y C 2.246 178.028 175.900 -0.197 0.000 1.137 397 Y CA 1.146 59.178 58.100 -0.113 0.000 1.163 397 Y CB -0.488 37.897 38.460 -0.125 0.000 0.988 397 Y HN 0.228 nan 8.280 nan 0.000 0.518 398 I N -0.936 119.579 120.570 -0.092 0.000 2.127 398 I HA -0.317 3.853 4.170 -0.000 0.000 0.241 398 I C 2.345 178.385 176.117 -0.128 0.000 1.075 398 I CA 1.164 62.331 61.300 -0.222 0.000 1.334 398 I CB -0.553 37.175 38.000 -0.455 0.000 1.040 398 I HN 0.198 nan 8.210 nan 0.000 0.405 399 L N 1.298 122.467 121.223 -0.090 0.000 2.012 399 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 399 L C 2.583 179.480 176.870 0.046 0.000 1.073 399 L CA 2.277 57.103 54.840 -0.023 0.000 0.748 399 L CB -0.901 41.142 42.059 -0.028 0.000 0.891 399 L HN 0.222 nan 8.230 nan 0.000 0.431 400 A N -0.250 122.620 122.820 0.084 0.000 1.865 400 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 400 A C 2.281 180.060 177.584 0.325 0.000 1.191 400 A CA 2.274 54.458 52.037 0.245 0.000 0.623 400 A CB -0.986 18.244 19.000 0.383 0.000 0.826 400 A HN 0.527 nan 8.150 nan 0.000 0.444 401 I N -0.368 120.276 120.570 0.123 0.000 2.208 401 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 401 I C 2.290 178.502 176.117 0.158 0.000 1.097 401 I CA 1.939 63.279 61.300 0.067 0.000 1.363 401 I CB -0.482 37.415 38.000 -0.171 0.000 1.051 401 I HN 0.445 nan 8.210 nan 0.000 0.413 402 D N 0.836 121.289 120.400 0.088 0.000 2.087 402 D HA -0.192 4.448 4.640 -0.000 0.000 0.192 402 D C 2.377 178.771 176.300 0.158 0.000 0.993 402 D CA 1.537 55.596 54.000 0.098 0.000 0.828 402 D CB 0.051 40.881 40.800 0.049 0.000 0.968 402 D HN 0.100 nan 8.370 nan 0.000 0.448 403 R N -0.246 120.346 120.500 0.153 0.000 2.096 403 R HA -0.123 4.217 4.340 -0.000 0.000 0.240 403 R C 2.440 178.874 176.300 0.222 0.000 1.139 403 R CA 1.348 57.553 56.100 0.174 0.000 0.952 403 R CB -0.567 29.813 30.300 0.133 0.000 0.854 403 R HN 0.193 nan 8.270 nan 0.000 0.436 404 V N 0.900 120.962 119.914 0.247 0.000 2.427 404 V HA -0.219 3.901 4.120 -0.000 0.000 0.248 404 V C 2.435 178.655 176.094 0.209 0.000 1.051 404 V CA 1.852 64.291 62.300 0.231 0.000 1.048 404 V CB -0.663 31.357 31.823 0.329 0.000 0.666 404 V HN 0.415 nan 8.190 nan 0.000 0.456 405 A N -0.773 122.187 122.820 0.233 0.000 1.902 405 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 405 A C 2.165 179.858 177.584 0.181 0.000 1.181 405 A CA 1.979 54.132 52.037 0.193 0.000 0.623 405 A CB -0.768 18.342 19.000 0.184 0.000 0.818 405 A HN 0.594 nan 8.150 nan 0.000 0.443 406 Y N 0.792 121.139 120.300 0.079 0.000 2.097 406 Y HA -0.169 4.381 4.550 -0.000 0.000 0.282 406 Y C 2.710 178.641 175.900 0.051 0.000 1.152 406 Y CA 1.319 59.455 58.100 0.059 0.000 1.136 406 Y CB -0.772 37.721 38.460 0.055 0.000 0.975 406 Y HN 0.318 nan 8.280 nan 0.000 0.498 407 A N -0.324 122.516 122.820 0.034 0.000 1.873 407 A HA -0.277 4.043 4.320 -0.000 0.000 0.218 407 A C 2.314 179.848 177.584 -0.084 0.000 1.193 407 A CA 3.149 55.151 52.037 -0.059 0.000 0.629 407 A CB -1.611 17.412 19.000 0.037 0.000 0.826 407 A HN 0.619 nan 8.150 nan 0.000 0.447 408 T N -1.262 113.281 114.554 -0.018 0.000 2.746 408 T HA -0.175 4.175 4.350 -0.000 0.000 0.267 408 T C 1.843 176.518 174.700 -0.042 0.000 1.039 408 T CA 1.600 63.691 62.100 -0.015 0.000 1.142 408 T CB -0.328 68.556 68.868 0.026 0.000 0.866 408 T HN 0.544 nan 8.240 nan 0.000 0.444 409 K N 0.797 121.165 120.400 -0.053 0.000 2.002 409 K HA -0.035 4.285 4.320 -0.000 0.000 0.209 409 K C 2.647 179.173 176.600 -0.123 0.000 1.048 409 K CA 1.067 57.316 56.287 -0.063 0.000 0.930 409 K CB -0.097 32.382 32.500 -0.035 0.000 0.714 409 K HN 0.112 nan 8.250 nan 0.000 0.438 410 K N 0.917 121.164 120.400 -0.255 0.000 2.147 410 K HA -0.109 4.211 4.320 -0.000 0.000 0.205 410 K C 2.128 178.643 176.600 -0.143 0.000 1.049 410 K CA 1.220 57.351 56.287 -0.260 0.000 0.936 410 K CB -0.134 32.084 32.500 -0.471 0.000 0.722 410 K HN 0.163 nan 8.250 nan 0.000 0.446 411 R N -0.497 119.934 120.500 -0.116 0.000 2.055 411 R HA -0.007 4.333 4.340 -0.000 0.000 0.228 411 R C 0.911 177.184 176.300 -0.046 0.000 1.143 411 R CA 1.022 57.082 56.100 -0.066 0.000 0.945 411 R CB -0.084 30.186 30.300 -0.050 0.000 0.841 411 R HN 0.343 nan 8.270 nan 0.000 0.429 412 G N 0.000 108.776 108.800 -0.040 0.000 5.446 412 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 412 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 412 G CA 0.000 45.085 45.100 -0.025 0.000 0.502 412 G HN 0.000 nan 8.290 nan 0.000 0.925