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 2gse_1_A DATA FIRST_RESID 15 DATA SEQUENCE DRLLIKGGKI VNDDQSFYAD IYMEDGLIKQ IGENLIVPGG VKTIEAHSRM DATA SEQUENCE VIPGGIDVHT RFQMPDQGMT SADDFFQGTK AALAGGTTMI IDHVVPEPGT DATA SEQUENCE SLLAAFDQWR EWADSKSCCD YSLHVDISEW HKGIQEEMEA LVKDHGVNSF DATA SEQUENCE LVYMAFKDRF QLTDCQIYEV LSVIRDIGAI AQVHAENGDI IAEEQQRILD DATA SEQUENCE LGITGPEGHV LSRPEEVEAE AVNRAITIAN QTNCPLYITK VMSKSSAEVI DATA SEQUENCE AQARKKGTVV YGEPITASLG TDGSHYWSKN WAKAAAFVTS PPLSPDPTTP DATA SEQUENCE DFLNSLLSCG DLQVTGSAHC TFNTAQKAVG KDNFTLIPEG TNGTEERMSV DATA SEQUENCE IWDKAVVTGK MDENQFVAVT STNAAKVFNL YPRKGRIAVG SDADLVIWDP DATA SEQUENCE DSVKTISAKT HNSSLEYNIF EGMECRGSPL VVISQGKIVL EDGTLHVTEG DATA SEQUENCE SGRYIPRKPF PDFVYKRIKA RSRLA 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 15 D HA 0.000 nan 4.640 nan 0.000 0.175 15 D C 0.000 176.273 176.300 -0.045 0.000 2.045 15 D CA 0.000 53.988 54.000 -0.020 0.000 0.868 15 D CB 0.000 40.784 40.800 -0.026 0.000 0.688 16 R N 0.152 120.640 120.500 -0.020 0.000 2.500 16 R HA 0.713 5.052 4.340 -0.001 0.000 0.275 16 R C -0.660 175.613 176.300 -0.045 0.000 1.051 16 R CA -0.676 55.400 56.100 -0.041 0.000 1.088 16 R CB 1.573 31.950 30.300 0.128 0.000 1.063 16 R HN 0.057 nan 8.270 nan 0.000 0.511 17 L N 2.426 123.577 121.223 -0.121 0.000 2.565 17 L HA 0.378 4.717 4.340 -0.001 0.000 0.261 17 L C -2.019 174.837 176.870 -0.023 0.000 0.932 17 L CA -0.683 54.127 54.840 -0.050 0.000 0.878 17 L CB 2.068 44.087 42.059 -0.068 0.000 1.333 17 L HN 0.525 nan 8.230 nan 0.000 0.409 18 L N 5.584 126.857 121.223 0.083 0.000 2.333 18 L HA 0.703 5.042 4.340 -0.001 0.000 0.280 18 L C -1.151 175.748 176.870 0.049 0.000 1.004 18 L CA -0.049 54.866 54.840 0.125 0.000 0.820 18 L CB 1.451 43.611 42.059 0.169 0.000 1.247 18 L HN 0.563 nan 8.230 nan 0.000 0.416 19 I N 4.942 125.533 120.570 0.035 0.000 2.354 19 I HA 0.400 4.569 4.170 -0.001 0.000 0.292 19 I C -0.280 175.843 176.117 0.011 0.000 0.989 19 I CA -0.621 60.684 61.300 0.008 0.000 1.188 19 I CB 1.264 39.261 38.000 -0.005 0.000 1.342 19 I HN 0.515 nan 8.210 nan 0.000 0.457 20 K N 3.839 124.232 120.400 -0.012 0.000 2.221 20 K HA 0.550 4.869 4.320 -0.001 0.000 0.258 20 K C 0.601 177.185 176.600 -0.027 0.000 0.944 20 K CA -0.391 55.889 56.287 -0.011 0.000 0.823 20 K CB 1.846 34.331 32.500 -0.026 0.000 1.113 20 K HN 0.882 nan 8.250 nan 0.000 0.431 21 G N 1.605 110.413 108.800 0.015 0.000 2.143 21 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.248 21 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.248 21 G C 0.346 175.301 174.900 0.093 0.000 0.991 21 G CA -0.011 45.115 45.100 0.044 0.000 0.689 21 G HN 0.820 nan 8.290 nan 0.000 0.522 22 G N -0.591 108.244 108.800 0.059 0.000 2.448 22 G HA2 0.532 4.491 3.960 -0.001 0.000 0.285 22 G HA3 0.532 4.491 3.960 -0.001 0.000 0.285 22 G C -0.039 174.860 174.900 -0.000 0.000 1.176 22 G CA -0.138 44.983 45.100 0.035 0.000 0.852 22 G HN 0.438 nan 8.290 nan 0.000 0.530 23 K N 2.118 122.444 120.400 -0.123 0.000 2.263 23 K HA 0.273 4.592 4.320 -0.001 0.000 0.282 23 K C -0.036 176.351 176.600 -0.356 0.000 1.089 23 K CA -0.454 55.570 56.287 -0.437 0.000 0.907 23 K CB 0.266 32.402 32.500 -0.606 0.000 1.148 23 K HN 0.343 nan 8.250 nan 0.000 0.470 24 I N 4.166 124.428 120.570 -0.513 0.000 2.556 24 I HA 0.016 4.186 4.170 -0.001 0.000 0.284 24 I C -0.293 175.581 176.117 -0.404 0.000 1.114 24 I CA -0.366 60.625 61.300 -0.515 0.000 1.418 24 I CB 1.244 38.739 38.000 -0.841 0.000 1.394 24 I HN 0.237 nan 8.210 nan 0.000 0.552 25 V N 7.119 126.917 119.914 -0.193 0.000 2.357 25 V HA 0.339 4.458 4.120 -0.001 0.000 0.281 25 V C -0.074 176.011 176.094 -0.016 0.000 1.015 25 V CA -0.678 61.579 62.300 -0.072 0.000 0.827 25 V CB 0.919 32.734 31.823 -0.012 0.000 1.018 25 V HN 0.676 nan 8.190 nan 0.000 0.432 26 N N 2.574 121.292 118.700 0.029 0.000 2.530 26 N HA 0.262 5.001 4.740 -0.001 0.000 0.283 26 N C 0.999 176.544 175.510 0.058 0.000 1.238 26 N CA -0.409 52.676 53.050 0.059 0.000 0.971 26 N CB 1.223 39.781 38.487 0.118 0.000 1.195 26 N HN 0.712 nan 8.380 nan 0.000 0.583 27 D N -0.566 119.862 120.400 0.046 0.000 2.264 27 D HA -0.165 4.474 4.640 -0.001 0.000 0.208 27 D C 0.483 176.804 176.300 0.035 0.000 0.966 27 D CA 1.196 55.209 54.000 0.022 0.000 0.864 27 D CB -0.014 40.771 40.800 -0.024 0.000 0.933 27 D HN 0.604 nan 8.370 nan 0.000 0.499 28 D N -0.408 120.028 120.400 0.059 0.000 2.388 28 D HA -0.025 4.614 4.640 -0.001 0.000 0.208 28 D C 0.832 177.177 176.300 0.075 0.000 1.035 28 D CA 0.222 54.257 54.000 0.059 0.000 0.875 28 D CB 0.132 40.968 40.800 0.060 0.000 0.984 28 D HN 0.560 nan 8.370 nan 0.000 0.508 29 Q N -1.236 118.628 119.800 0.107 0.000 2.702 29 Q HA 0.543 4.882 4.340 -0.001 0.000 0.289 29 Q C -1.756 174.344 176.000 0.168 0.000 0.923 29 Q CA -0.891 54.992 55.803 0.133 0.000 0.787 29 Q CB 1.115 29.941 28.738 0.146 0.000 1.476 29 Q HN -0.154 nan 8.270 nan 0.000 0.402 30 S N 1.032 116.819 115.700 0.145 0.000 2.532 30 S HA 0.947 5.416 4.470 -0.001 0.000 0.301 30 S C -1.219 173.492 174.600 0.186 0.000 1.083 30 S CA -0.561 57.679 58.200 0.066 0.000 1.025 30 S CB 0.681 63.865 63.200 -0.027 0.000 1.056 30 S HN 0.554 nan 8.310 nan 0.000 0.494 31 F N -0.702 119.189 119.950 -0.098 0.000 2.719 31 F HA 0.611 5.138 4.527 -0.002 0.000 0.309 31 F C -2.126 173.616 175.800 -0.097 0.000 1.138 31 F CA -1.527 56.437 58.000 -0.060 0.000 0.943 31 F CB 0.537 39.549 39.000 0.020 0.000 1.304 31 F HN 0.421 nan 8.300 nan 0.000 0.445 32 Y N 1.828 122.219 120.300 0.152 0.000 2.327 32 Y HA 0.771 5.320 4.550 -0.001 0.000 0.336 32 Y C 0.398 176.372 175.900 0.123 0.000 1.035 32 Y CA 0.069 58.197 58.100 0.048 0.000 1.165 32 Y CB 1.366 39.867 38.460 0.068 0.000 1.181 32 Y HN 1.047 nan 8.280 nan 0.000 0.494 33 A N 2.206 125.122 122.820 0.160 0.000 2.586 33 A HA 0.579 4.898 4.320 -0.001 0.000 0.291 33 A C -1.802 175.832 177.584 0.082 0.000 1.062 33 A CA -1.094 51.042 52.037 0.166 0.000 0.666 33 A CB 1.132 20.305 19.000 0.287 0.000 1.281 33 A HN 0.529 nan 8.150 nan 0.000 0.421 34 D N 0.100 120.554 120.400 0.091 0.000 2.277 34 D HA 0.711 5.350 4.640 -0.001 0.000 0.250 34 D C -0.413 175.933 176.300 0.077 0.000 1.032 34 D CA 0.138 54.178 54.000 0.067 0.000 0.947 34 D CB 1.185 42.024 40.800 0.065 0.000 1.159 34 D HN 0.475 nan 8.370 nan 0.000 0.460 35 I N 1.066 121.677 120.570 0.069 0.000 2.478 35 I HA 0.241 4.410 4.170 -0.001 0.000 0.287 35 I C -1.346 174.836 176.117 0.110 0.000 1.042 35 I CA -1.107 60.237 61.300 0.074 0.000 1.067 35 I CB 1.498 39.511 38.000 0.021 0.000 1.233 35 I HN 0.225 nan 8.210 nan 0.000 0.431 36 Y N 7.385 127.692 120.300 0.011 0.000 2.341 36 Y HA 0.743 5.292 4.550 -0.001 0.000 0.337 36 Y C -0.905 174.998 175.900 0.004 0.000 1.014 36 Y CA -0.792 57.312 58.100 0.006 0.000 1.111 36 Y CB 1.562 40.027 38.460 0.008 0.000 1.194 36 Y HN 0.533 nan 8.280 nan 0.000 0.462 37 M N 5.020 124.135 119.600 -0.808 0.000 2.591 37 M HA 0.518 4.997 4.480 -0.001 0.000 0.306 37 M C -1.385 174.474 176.300 -0.735 0.000 1.190 37 M CA -0.697 54.254 55.300 -0.582 0.000 0.889 37 M CB 2.792 35.225 32.600 -0.279 0.000 1.728 37 M HN 0.711 nan 8.290 nan 0.000 0.458 38 E N 0.299 120.264 120.200 -0.392 0.000 2.401 38 E HA 0.169 4.518 4.350 -0.001 0.000 0.283 38 E C -1.534 174.998 176.600 -0.112 0.000 1.053 38 E CA -0.519 55.739 56.400 -0.236 0.000 0.842 38 E CB 1.254 30.845 29.700 -0.181 0.000 1.222 38 E HN 0.739 nan 8.360 nan 0.000 0.429 39 D N 2.608 122.969 120.400 -0.066 0.000 2.751 39 D HA -0.193 4.446 4.640 -0.001 0.000 0.233 39 D C 0.697 176.970 176.300 -0.046 0.000 1.149 39 D CA 2.123 56.099 54.000 -0.040 0.000 0.682 39 D CB -1.440 39.347 40.800 -0.022 0.000 1.068 39 D HN 1.203 nan 8.370 nan 0.000 0.429 40 G N -0.906 107.858 108.800 -0.060 0.000 2.198 40 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.260 40 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.260 40 G C 0.154 175.020 174.900 -0.058 0.000 1.025 40 G CA 0.621 45.689 45.100 -0.053 0.000 0.769 40 G HN 0.515 nan 8.290 nan 0.000 0.507 41 L N -0.571 120.607 121.223 -0.075 0.000 2.445 41 L HA 0.539 4.879 4.340 -0.001 0.000 0.262 41 L C 0.538 177.355 176.870 -0.089 0.000 0.974 41 L CA -1.343 53.456 54.840 -0.067 0.000 0.822 41 L CB 2.023 44.053 42.059 -0.049 0.000 1.339 41 L HN 0.007 nan 8.230 nan 0.000 0.409 42 I N 3.070 123.600 120.570 -0.066 0.000 2.517 42 I HA 0.050 4.219 4.170 -0.001 0.000 0.285 42 I C 0.852 176.955 176.117 -0.022 0.000 1.106 42 I CA -0.024 61.243 61.300 -0.055 0.000 1.402 42 I CB 0.532 38.519 38.000 -0.023 0.000 1.399 42 I HN 0.611 nan 8.210 nan 0.000 0.535 43 K N 4.690 125.090 120.400 -0.000 0.000 2.287 43 K HA 0.242 4.561 4.320 -0.001 0.000 0.199 43 K C 0.150 176.827 176.600 0.128 0.000 1.061 43 K CA 0.781 57.120 56.287 0.086 0.000 0.976 43 K CB 0.383 32.993 32.500 0.184 0.000 0.898 43 K HN 0.614 nan 8.250 nan 0.000 0.492 44 Q N -0.001 119.896 119.800 0.162 0.000 2.340 44 Q HA 0.510 4.850 4.340 -0.001 0.000 0.276 44 Q C -1.131 174.946 176.000 0.128 0.000 1.048 44 Q CA -0.373 55.513 55.803 0.138 0.000 0.832 44 Q CB 2.960 31.786 28.738 0.147 0.000 1.373 44 Q HN -0.024 nan 8.270 nan 0.000 0.409 45 I N 1.034 121.672 120.570 0.114 0.000 2.498 45 I HA 0.859 5.028 4.170 -0.001 0.000 0.290 45 I C 0.262 176.461 176.117 0.136 0.000 1.032 45 I CA -0.497 60.887 61.300 0.140 0.000 1.073 45 I CB 2.050 40.163 38.000 0.188 0.000 1.251 45 I HN 0.821 nan 8.210 nan 0.000 0.426 46 G N 4.853 113.738 108.800 0.141 0.000 2.344 46 G HA2 0.203 4.162 3.960 -0.001 0.000 0.282 46 G HA3 0.203 4.162 3.960 -0.001 0.000 0.282 46 G C -1.866 173.095 174.900 0.103 0.000 1.281 46 G CA -0.629 44.543 45.100 0.121 0.000 0.877 46 G HN 0.374 nan 8.290 nan 0.000 0.494 47 E N 1.158 121.404 120.200 0.077 0.000 2.207 47 E HA 0.404 4.754 4.350 -0.001 0.000 0.270 47 E C -0.164 176.458 176.600 0.036 0.000 0.927 47 E CA -0.845 55.592 56.400 0.060 0.000 0.799 47 E CB 1.293 31.027 29.700 0.058 0.000 1.172 47 E HN 0.541 nan 8.360 nan 0.000 0.404 48 N N 1.570 120.286 118.700 0.027 0.000 2.650 48 N HA -0.224 4.516 4.740 -0.001 0.000 0.272 48 N C -0.626 174.884 175.510 0.001 0.000 1.058 48 N CA 0.567 53.623 53.050 0.011 0.000 0.765 48 N CB -0.937 37.554 38.487 0.008 0.000 0.902 48 N HN 0.380 nan 8.380 nan 0.000 0.551 49 L N 1.102 122.323 121.223 -0.003 0.000 2.399 49 L HA 0.353 4.693 4.340 -0.001 0.000 0.266 49 L C 1.157 177.987 176.870 -0.067 0.000 1.114 49 L CA -0.693 54.134 54.840 -0.022 0.000 0.804 49 L CB 0.817 42.873 42.059 -0.005 0.000 1.146 49 L HN 0.113 nan 8.230 nan 0.000 0.451 50 I N 3.762 124.281 120.570 -0.083 0.000 2.278 50 I HA 0.172 4.341 4.170 -0.001 0.000 0.296 50 I C -0.036 175.955 176.117 -0.210 0.000 1.121 50 I CA 0.127 61.361 61.300 -0.111 0.000 1.267 50 I CB 0.134 38.089 38.000 -0.075 0.000 1.447 50 I HN 0.159 nan 8.210 nan 0.000 0.509 51 V N 8.040 127.803 119.914 -0.252 0.000 2.628 51 V HA 0.453 4.572 4.120 -0.001 0.000 0.306 51 V C -1.707 174.234 176.094 -0.254 0.000 1.045 51 V CA -1.513 60.523 62.300 -0.439 0.000 0.905 51 V CB 1.859 33.420 31.823 -0.436 0.000 0.997 51 V HN 0.555 nan 8.190 nan 0.000 0.436 52 P HA 0.187 nan 4.420 nan 0.000 0.271 52 P C 0.126 177.397 177.300 -0.047 0.000 1.233 52 P CA 0.057 63.105 63.100 -0.087 0.000 0.795 52 P CB 0.256 31.944 31.700 -0.020 0.000 0.936 53 G N -0.986 107.803 108.800 -0.019 0.000 2.476 53 G HA2 0.433 4.393 3.960 -0.001 0.000 0.269 53 G HA3 0.433 4.393 3.960 -0.001 0.000 0.269 53 G C 0.460 175.365 174.900 0.008 0.000 1.195 53 G CA -0.186 44.909 45.100 -0.009 0.000 0.843 53 G HN 0.879 nan 8.290 nan 0.000 0.545 54 G N -0.671 108.135 108.800 0.009 0.000 2.371 54 G HA2 -0.085 3.874 3.960 -0.001 0.000 0.299 54 G HA3 -0.085 3.874 3.960 -0.001 0.000 0.299 54 G C 0.093 175.011 174.900 0.029 0.000 1.014 54 G CA 0.239 45.348 45.100 0.015 0.000 1.097 54 G HN 1.022 nan 8.290 nan 0.000 0.512 55 V N 0.507 120.448 119.914 0.044 0.000 2.481 55 V HA 0.342 4.461 4.120 -0.001 0.000 0.286 55 V C 1.019 177.147 176.094 0.056 0.000 1.042 55 V CA -0.720 61.627 62.300 0.079 0.000 0.928 55 V CB 1.754 33.672 31.823 0.159 0.000 0.986 55 V HN 0.555 nan 8.190 nan 0.000 0.462 56 K N 2.867 123.292 120.400 0.042 0.000 2.447 56 K HA 0.163 4.483 4.320 -0.001 0.000 0.281 56 K C -0.358 176.257 176.600 0.026 0.000 1.031 56 K CA 0.312 56.611 56.287 0.020 0.000 1.019 56 K CB 0.251 32.752 32.500 0.002 0.000 0.918 56 K HN 0.805 nan 8.250 nan 0.000 0.476 57 T N 5.727 120.291 114.554 0.016 0.000 2.809 57 T HA 0.401 4.750 4.350 -0.001 0.000 0.284 57 T C -0.382 174.315 174.700 -0.005 0.000 0.992 57 T CA -0.595 61.513 62.100 0.013 0.000 0.957 57 T CB 0.469 69.346 68.868 0.014 0.000 0.942 57 T HN 0.445 nan 8.240 nan 0.000 0.439 58 I N 2.935 123.498 120.570 -0.013 0.000 2.359 58 I HA 0.301 4.470 4.170 -0.001 0.000 0.294 58 I C 0.355 176.431 176.117 -0.068 0.000 0.987 58 I CA -0.821 60.460 61.300 -0.030 0.000 1.225 58 I CB 1.224 39.211 38.000 -0.022 0.000 1.366 58 I HN 0.375 nan 8.210 nan 0.000 0.466 59 E N 5.150 125.278 120.200 -0.120 0.000 2.130 59 E HA 0.275 4.624 4.350 -0.001 0.000 0.284 59 E C 0.361 176.778 176.600 -0.305 0.000 1.018 59 E CA -0.198 56.033 56.400 -0.281 0.000 0.817 59 E CB 1.846 31.272 29.700 -0.456 0.000 1.078 59 E HN 0.751 nan 8.360 nan 0.000 0.396 60 A N 2.724 125.409 122.820 -0.226 0.000 2.095 60 A HA -0.014 4.306 4.320 -0.001 0.000 0.212 60 A C 0.274 177.852 177.584 -0.009 0.000 1.162 60 A CA 0.295 52.281 52.037 -0.085 0.000 0.753 60 A CB -0.484 18.499 19.000 -0.028 0.000 0.840 60 A HN 0.921 nan 8.150 nan 0.000 0.468 61 H N -0.728 118.367 119.070 0.041 0.000 2.677 61 H HA -0.164 4.391 4.556 -0.001 0.000 0.321 61 H C 0.930 176.299 175.328 0.068 0.000 1.171 61 H CA 0.278 56.352 56.048 0.042 0.000 1.139 61 H CB -1.867 27.910 29.762 0.025 0.000 1.515 61 H HN 0.503 nan 8.280 nan 0.000 0.423 62 S N -2.648 113.170 115.700 0.196 0.000 2.929 62 S HA -0.272 4.198 4.470 -0.001 0.000 0.271 62 S C 0.970 175.683 174.600 0.187 0.000 1.295 62 S CA 1.240 59.603 58.200 0.271 0.000 1.277 62 S CB -0.490 62.865 63.200 0.258 0.000 1.557 62 S HN 0.587 nan 8.310 nan 0.000 0.666 63 R N 1.412 121.984 120.500 0.120 0.000 2.640 63 R HA 0.273 4.612 4.340 -0.001 0.000 0.270 63 R C 0.757 177.074 176.300 0.028 0.000 1.024 63 R CA 0.672 56.813 56.100 0.067 0.000 1.085 63 R CB 0.023 30.355 30.300 0.053 0.000 0.963 63 R HN 0.452 nan 8.270 nan 0.000 0.426 64 M N 2.112 121.727 119.600 0.025 0.000 2.251 64 M HA 0.023 4.502 4.480 -0.001 0.000 0.343 64 M C -0.488 175.820 176.300 0.014 0.000 1.245 64 M CA 0.654 55.959 55.300 0.008 0.000 1.061 64 M CB 0.414 33.049 32.600 0.059 0.000 1.723 64 M HN 0.115 nan 8.290 nan 0.000 0.449 65 V N 5.855 125.749 119.914 -0.033 0.000 2.483 65 V HA 0.592 4.711 4.120 -0.001 0.000 0.297 65 V C -0.317 175.757 176.094 -0.034 0.000 1.027 65 V CA -0.706 61.581 62.300 -0.023 0.000 0.855 65 V CB 1.495 33.285 31.823 -0.056 0.000 0.995 65 V HN 0.794 nan 8.190 nan 0.000 0.424 66 I N 3.112 123.683 120.570 0.002 0.000 2.689 66 I HA 0.766 4.936 4.170 -0.001 0.000 0.299 66 I C -2.678 173.429 176.117 -0.017 0.000 1.059 66 I CA -2.734 58.559 61.300 -0.012 0.000 1.055 66 I CB 2.666 40.660 38.000 -0.010 0.000 1.243 66 I HN 0.345 nan 8.210 nan 0.000 0.425 67 P HA 0.115 nan 4.420 nan 0.000 0.269 67 P C 0.227 177.506 177.300 -0.034 0.000 1.209 67 P CA 0.247 63.333 63.100 -0.024 0.000 0.776 67 P CB 0.570 32.260 31.700 -0.017 0.000 0.876 68 G N 2.067 110.858 108.800 -0.015 0.000 2.554 68 G HA2 0.358 4.317 3.960 -0.001 0.000 0.238 68 G HA3 0.358 4.317 3.960 -0.001 0.000 0.238 68 G C 0.496 175.377 174.900 -0.032 0.000 1.259 68 G CA -0.202 44.894 45.100 -0.008 0.000 0.843 68 G HN 0.610 nan 8.290 nan 0.000 0.582 69 G N -0.654 108.126 108.800 -0.034 0.000 2.483 69 G HA2 0.443 4.402 3.960 -0.001 0.000 0.248 69 G HA3 0.443 4.402 3.960 -0.001 0.000 0.248 69 G C -0.060 174.840 174.900 0.000 0.000 1.248 69 G CA -0.629 44.441 45.100 -0.050 0.000 0.838 69 G HN 0.642 nan 8.290 nan 0.000 0.566 70 I N 1.681 122.255 120.570 0.005 0.000 2.328 70 I HA 0.119 4.288 4.170 -0.001 0.000 0.287 70 I C -0.557 175.603 176.117 0.071 0.000 1.012 70 I CA -0.741 60.584 61.300 0.042 0.000 1.195 70 I CB 1.687 39.715 38.000 0.048 0.000 1.350 70 I HN 0.302 nan 8.210 nan 0.000 0.464 71 D N 6.667 127.123 120.400 0.093 0.000 2.402 71 D HA 0.058 4.697 4.640 -0.001 0.000 0.235 71 D C 1.217 177.602 176.300 0.143 0.000 1.226 71 D CA -0.231 53.844 54.000 0.125 0.000 0.918 71 D CB 1.324 42.206 40.800 0.138 0.000 1.043 71 D HN 0.442 nan 8.370 nan 0.000 0.506 72 V N 1.898 121.924 119.914 0.187 0.000 3.383 72 V HA 0.005 4.124 4.120 -0.001 0.000 0.272 72 V C 0.576 176.842 176.094 0.287 0.000 1.181 72 V CA 0.761 63.186 62.300 0.209 0.000 1.171 72 V CB -1.216 30.827 31.823 0.367 0.000 0.800 72 V HN 0.632 nan 8.190 nan 0.000 0.515 73 H N 0.299 119.474 119.070 0.175 0.000 3.275 73 H HA 0.524 5.079 4.556 -0.001 0.000 0.326 73 H C -0.561 174.828 175.328 0.101 0.000 1.096 73 H CA 0.200 56.382 56.048 0.223 0.000 1.579 73 H CB 0.984 30.897 29.762 0.251 0.000 1.834 73 H HN 0.489 nan 8.280 nan 0.000 0.510 74 T N 1.860 116.572 114.554 0.263 0.000 2.916 74 T HA 0.539 4.888 4.350 -0.001 0.000 0.292 74 T C 0.032 174.682 174.700 -0.084 0.000 1.055 74 T CA -1.164 60.820 62.100 -0.193 0.000 1.009 74 T CB 2.358 70.704 68.868 -0.870 0.000 1.118 74 T HN 0.643 nan 8.240 nan 0.000 0.497 75 R N 0.966 121.285 120.500 -0.303 0.000 2.593 75 R HA 0.248 4.588 4.340 -0.001 0.000 0.258 75 R C -1.164 175.063 176.300 -0.121 0.000 1.410 75 R CA -0.487 55.589 56.100 -0.040 0.000 1.537 75 R CB 0.177 30.555 30.300 0.130 0.000 1.362 75 R HN 0.467 nan 8.270 nan 0.000 0.734 76 F N 2.447 122.261 119.950 -0.226 0.000 2.471 76 F HA 0.017 4.544 4.527 -0.001 0.000 0.353 76 F C 1.553 177.002 175.800 -0.584 0.000 1.113 76 F CA -0.507 57.186 58.000 -0.511 0.000 1.262 76 F CB 0.510 38.931 39.000 -0.965 0.000 1.146 76 F HN 0.302 nan 8.300 nan 0.000 0.578 77 Q N 0.966 120.595 119.800 -0.284 0.000 2.411 77 Q HA -0.308 4.031 4.340 -0.001 0.000 0.305 77 Q C -0.484 175.313 176.000 -0.339 0.000 1.273 77 Q CA 0.485 56.051 55.803 -0.394 0.000 0.895 77 Q CB -1.713 26.662 28.738 -0.605 0.000 1.198 77 Q HN 0.785 nan 8.270 nan 0.000 0.470 78 M N 1.376 120.912 119.600 -0.107 0.000 2.200 78 M HA 0.311 4.791 4.480 -0.001 0.000 0.355 78 M C -2.185 174.187 176.300 0.121 0.000 1.283 78 M CA -1.746 53.629 55.300 0.125 0.000 1.124 78 M CB 0.839 33.587 32.600 0.247 0.000 1.625 78 M HN 0.017 nan 8.290 nan 0.000 0.463 79 P HA 0.318 nan 4.420 nan 0.000 0.279 79 P C -1.676 175.771 177.300 0.245 0.000 1.239 79 P CA -0.039 63.180 63.100 0.198 0.000 0.789 79 P CB 0.756 32.590 31.700 0.224 0.000 0.933 80 D N 1.217 121.731 120.400 0.190 0.000 2.726 80 D HA 0.085 4.724 4.640 -0.001 0.000 0.203 80 D C -0.498 175.814 176.300 0.020 0.000 1.297 80 D CA -0.224 53.842 54.000 0.110 0.000 0.863 80 D CB 0.713 41.600 40.800 0.146 0.000 1.669 80 D HN 0.385 nan 8.370 nan 0.000 0.561 81 Q N 1.982 121.769 119.800 -0.022 0.000 2.480 81 Q HA -0.232 4.107 4.340 -0.001 0.000 0.265 81 Q C 0.952 176.943 176.000 -0.015 0.000 1.072 81 Q CA 1.297 57.071 55.803 -0.048 0.000 1.018 81 Q CB -1.350 27.329 28.738 -0.099 0.000 1.433 81 Q HN 1.068 nan 8.270 nan 0.000 0.513 82 G N -1.390 107.423 108.800 0.021 0.000 2.179 82 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.260 82 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.260 82 G C 0.161 175.088 174.900 0.045 0.000 0.977 82 G CA 0.660 45.779 45.100 0.033 0.000 0.641 82 G HN 0.316 nan 8.290 nan 0.000 0.533 83 M N 0.324 119.961 119.600 0.063 0.000 2.494 83 M HA 0.618 5.097 4.480 -0.001 0.000 0.300 83 M C 0.223 176.616 176.300 0.155 0.000 1.189 83 M CA -0.177 55.192 55.300 0.115 0.000 0.982 83 M CB 1.751 34.444 32.600 0.154 0.000 1.534 83 M HN 0.038 nan 8.290 nan 0.000 0.488 84 T N 0.283 114.915 114.554 0.130 0.000 2.841 84 T HA 0.273 4.622 4.350 -0.001 0.000 0.283 84 T C -0.466 174.236 174.700 0.004 0.000 1.000 84 T CA -0.641 61.483 62.100 0.040 0.000 0.977 84 T CB 1.634 70.444 68.868 -0.097 0.000 0.979 84 T HN 0.720 nan 8.240 nan 0.000 0.446 85 S N 1.773 117.363 115.700 -0.185 0.000 2.561 85 S HA 0.151 4.620 4.470 -0.001 0.000 0.294 85 S C 1.630 176.018 174.600 -0.353 0.000 1.294 85 S CA 0.090 57.915 58.200 -0.626 0.000 1.055 85 S CB 0.155 63.008 63.200 -0.579 0.000 0.819 85 S HN 0.833 nan 8.310 nan 0.000 0.503 86 A N 4.176 126.793 122.820 -0.338 0.000 1.898 86 A HA 0.036 4.355 4.320 -0.001 0.000 0.216 86 A C 0.739 178.236 177.584 -0.144 0.000 1.181 86 A CA 1.045 52.985 52.037 -0.162 0.000 0.620 86 A CB -0.392 18.547 19.000 -0.102 0.000 0.819 86 A HN 0.858 nan 8.150 nan 0.000 0.442 87 D N 1.243 121.557 120.400 -0.143 0.000 2.316 87 D HA 0.304 4.943 4.640 -0.001 0.000 0.245 87 D C -0.391 175.799 176.300 -0.184 0.000 1.171 87 D CA -0.161 53.760 54.000 -0.132 0.000 0.856 87 D CB 1.075 41.844 40.800 -0.052 0.000 1.090 87 D HN 0.523 nan 8.370 nan 0.000 0.476 88 D N 0.511 120.785 120.400 -0.211 0.000 2.425 88 D HA 0.017 4.656 4.640 -0.001 0.000 0.274 88 D C 0.936 177.043 176.300 -0.321 0.000 1.242 88 D CA -0.481 53.375 54.000 -0.240 0.000 1.060 88 D CB 0.157 40.856 40.800 -0.167 0.000 1.112 88 D HN 0.096 nan 8.370 nan 0.000 0.561 89 F N -1.375 118.465 119.950 -0.185 0.000 2.325 89 F HA 0.045 4.571 4.527 -0.001 0.000 0.299 89 F C 1.966 177.618 175.800 -0.246 0.000 1.090 89 F CA 0.377 58.257 58.000 -0.200 0.000 1.392 89 F CB -0.388 38.560 39.000 -0.086 0.000 1.053 89 F HN 0.304 nan 8.300 nan 0.000 0.521 90 F N 0.604 120.505 119.950 -0.082 0.000 2.074 90 F HA -0.150 4.376 4.527 -0.001 0.000 0.293 90 F C 2.491 178.159 175.800 -0.220 0.000 1.116 90 F CA 1.470 59.395 58.000 -0.124 0.000 1.212 90 F CB -0.633 38.312 39.000 -0.092 0.000 0.998 90 F HN -0.228 nan 8.300 nan 0.000 0.471 91 Q N 0.677 120.261 119.800 -0.361 0.000 2.124 91 Q HA -0.088 4.251 4.340 -0.001 0.000 0.202 91 Q C 2.467 178.089 176.000 -0.631 0.000 0.977 91 Q CA 1.574 57.094 55.803 -0.470 0.000 0.850 91 Q CB -1.328 27.275 28.738 -0.225 0.000 0.901 91 Q HN 0.589 nan 8.270 nan 0.000 0.429 92 G N 0.073 108.337 108.800 -0.894 0.000 2.404 92 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.215 92 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.215 92 G C 1.492 175.700 174.900 -1.153 0.000 1.174 92 G CA 1.587 45.783 45.100 -1.508 0.000 0.780 92 G HN 0.528 nan 8.290 nan 0.000 0.537 93 T N -1.064 112.966 114.554 -0.874 0.000 2.995 93 T HA 0.047 4.396 4.350 -0.001 0.000 0.269 93 T C 2.065 176.567 174.700 -0.329 0.000 1.091 93 T CA 1.528 63.407 62.100 -0.368 0.000 1.128 93 T CB -0.008 68.765 68.868 -0.157 0.000 0.891 93 T HN 0.391 nan 8.240 nan 0.000 0.492 94 K N 1.408 121.511 120.400 -0.495 0.000 2.062 94 K HA 0.159 4.479 4.320 -0.001 0.000 0.205 94 K C 2.623 179.048 176.600 -0.293 0.000 1.051 94 K CA 0.987 57.010 56.287 -0.440 0.000 0.941 94 K CB -0.589 31.504 32.500 -0.679 0.000 0.719 94 K HN 0.352 nan 8.250 nan 0.000 0.440 95 A N 1.192 123.818 122.820 -0.323 0.000 1.902 95 A HA -0.111 4.208 4.320 -0.001 0.000 0.217 95 A C 2.339 179.844 177.584 -0.131 0.000 1.181 95 A CA 1.885 53.793 52.037 -0.216 0.000 0.623 95 A CB -0.936 17.898 19.000 -0.276 0.000 0.818 95 A HN 0.490 nan 8.150 nan 0.000 0.443 96 A N -0.020 122.716 122.820 -0.140 0.000 1.851 96 A HA -0.129 4.190 4.320 -0.001 0.000 0.216 96 A C 2.176 179.758 177.584 -0.003 0.000 1.195 96 A CA 1.716 53.743 52.037 -0.017 0.000 0.622 96 A CB -0.871 18.155 19.000 0.044 0.000 0.831 96 A HN 0.484 nan 8.150 nan 0.000 0.444 97 L N -0.634 120.567 121.223 -0.037 0.000 2.042 97 L HA -0.230 4.109 4.340 -0.001 0.000 0.210 97 L C 3.046 179.912 176.870 -0.007 0.000 1.076 97 L CA 1.159 55.991 54.840 -0.014 0.000 0.749 97 L CB -0.603 41.436 42.059 -0.032 0.000 0.893 97 L HN 0.448 nan 8.230 nan 0.000 0.432 98 A N 0.235 123.032 122.820 -0.038 0.000 1.978 98 A HA -0.149 4.170 4.320 -0.001 0.000 0.220 98 A C 2.313 179.907 177.584 0.018 0.000 1.170 98 A CA 1.795 53.817 52.037 -0.024 0.000 0.636 98 A CB -1.086 17.886 19.000 -0.046 0.000 0.810 98 A HN 0.474 nan 8.150 nan 0.000 0.448 99 G N -2.481 106.348 108.800 0.048 0.000 2.813 99 G HA2 0.355 4.314 3.960 -0.001 0.000 0.209 99 G HA3 0.355 4.314 3.960 -0.001 0.000 0.209 99 G C 1.102 176.120 174.900 0.196 0.000 1.150 99 G CA 0.667 45.834 45.100 0.111 0.000 0.785 99 G HN 1.656 nan 8.290 nan 0.000 0.535 100 G N -1.297 107.599 108.800 0.161 0.000 2.192 100 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.193 100 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.193 100 G C 0.276 175.244 174.900 0.113 0.000 0.999 100 G CA 0.165 45.386 45.100 0.202 0.000 0.659 100 G HN 0.504 nan 8.290 nan 0.000 0.503 101 T N 1.845 116.452 114.554 0.089 0.000 2.743 101 T HA 0.498 4.847 4.350 -0.001 0.000 0.293 101 T C 1.372 176.107 174.700 0.058 0.000 0.945 101 T CA 0.721 62.860 62.100 0.066 0.000 1.030 101 T CB 1.331 70.249 68.868 0.082 0.000 0.912 101 T HN 0.636 nan 8.240 nan 0.000 0.483 102 T N 0.472 115.055 114.554 0.048 0.000 3.044 102 T HA 0.423 4.772 4.350 -0.001 0.000 0.260 102 T C 0.306 175.038 174.700 0.054 0.000 1.019 102 T CA -0.328 61.799 62.100 0.045 0.000 0.921 102 T CB 0.226 69.112 68.868 0.030 0.000 1.053 102 T HN 0.469 nan 8.240 nan 0.000 0.533 103 M N 1.852 121.489 119.600 0.062 0.000 2.433 103 M HA 0.640 5.119 4.480 -0.001 0.000 0.290 103 M C -2.121 174.241 176.300 0.103 0.000 1.173 103 M CA -1.416 53.928 55.300 0.074 0.000 0.905 103 M CB 2.553 35.170 32.600 0.029 0.000 1.692 103 M HN 0.309 nan 8.290 nan 0.000 0.462 104 I N 2.030 122.691 120.570 0.152 0.000 2.689 104 I HA 0.656 4.825 4.170 -0.001 0.000 0.299 104 I C -1.521 174.666 176.117 0.116 0.000 1.059 104 I CA -0.592 60.811 61.300 0.172 0.000 1.055 104 I CB 1.967 40.151 38.000 0.307 0.000 1.243 104 I HN 0.594 nan 8.210 nan 0.000 0.425 105 I N 4.145 124.729 120.570 0.022 0.000 2.411 105 I HA 0.425 4.594 4.170 -0.001 0.000 0.284 105 I C -0.646 175.414 176.117 -0.096 0.000 1.012 105 I CA -0.371 60.832 61.300 -0.163 0.000 1.119 105 I CB 1.235 38.944 38.000 -0.486 0.000 1.261 105 I HN 0.682 nan 8.210 nan 0.000 0.448 106 D N 4.439 124.837 120.400 -0.003 0.000 2.440 106 D HA 0.375 5.015 4.640 -0.001 0.000 0.258 106 D C -0.818 175.470 176.300 -0.019 0.000 1.092 106 D CA -0.375 53.712 54.000 0.145 0.000 1.016 106 D CB 1.608 42.698 40.800 0.484 0.000 1.141 106 D HN 0.479 nan 8.370 nan 0.000 0.552 107 H N 0.458 119.578 119.070 0.084 0.000 2.646 107 H HA 0.261 4.816 4.556 -0.001 0.000 0.328 107 H C -0.546 174.504 175.328 -0.464 0.000 0.998 107 H CA -0.593 55.401 56.048 -0.090 0.000 1.225 107 H CB 1.621 31.362 29.762 -0.036 0.000 1.457 107 H HN 0.044 nan 8.280 nan 0.000 0.505 108 V N 4.656 124.199 119.914 -0.618 0.000 2.572 108 V HA 0.005 4.124 4.120 -0.001 0.000 0.291 108 V C 0.412 176.000 176.094 -0.843 0.000 1.039 108 V CA -0.221 61.306 62.300 -1.289 0.000 1.055 108 V CB 1.156 32.596 31.823 -0.639 0.000 0.969 108 V HN 0.453 nan 8.190 nan 0.000 0.482 109 V N 7.714 126.952 119.914 -1.126 0.000 2.289 109 V HA 0.303 4.422 4.120 -0.001 0.000 0.272 109 V C -2.159 173.876 176.094 -0.098 0.000 1.026 109 V CA -1.574 60.517 62.300 -0.349 0.000 0.807 109 V CB 1.290 33.100 31.823 -0.020 0.000 1.044 109 V HN 0.773 nan 8.190 nan 0.000 0.443 110 P HA 0.240 nan 4.420 nan 0.000 0.276 110 P C -0.214 177.166 177.300 0.133 0.000 1.243 110 P CA -0.176 62.970 63.100 0.075 0.000 0.768 110 P CB 1.145 32.876 31.700 0.053 0.000 0.856 111 E N 5.892 126.213 120.200 0.203 0.000 2.415 111 E HA 0.088 4.437 4.350 -0.001 0.000 0.263 111 E C -1.902 174.815 176.600 0.195 0.000 0.995 111 E CA -1.832 54.705 56.400 0.228 0.000 0.915 111 E CB -0.298 29.522 29.700 0.199 0.000 0.951 111 E HN 0.356 nan 8.360 nan 0.000 0.449 112 P HA 0.049 nan 4.420 nan 0.000 0.264 112 P C 0.519 177.905 177.300 0.143 0.000 1.193 112 P CA 0.897 64.110 63.100 0.188 0.000 0.763 112 P CB 0.908 32.726 31.700 0.197 0.000 0.810 113 G N 1.686 110.571 108.800 0.142 0.000 2.307 113 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.210 113 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.210 113 G C 0.267 175.233 174.900 0.110 0.000 1.005 113 G CA 0.296 45.465 45.100 0.114 0.000 0.634 113 G HN 0.901 nan 8.290 nan 0.000 0.496 114 T N -0.768 113.856 114.554 0.117 0.000 2.938 114 T HA 0.746 5.096 4.350 -0.001 0.000 0.285 114 T C 0.412 175.171 174.700 0.099 0.000 1.028 114 T CA 0.759 62.920 62.100 0.102 0.000 1.005 114 T CB 1.840 70.771 68.868 0.106 0.000 1.157 114 T HN 1.562 nan 8.240 nan 0.000 0.550 115 S N 0.743 116.492 115.700 0.082 0.000 2.616 115 S HA 0.387 4.857 4.470 -0.001 0.000 0.277 115 S C 1.332 175.969 174.600 0.062 0.000 1.234 115 S CA -1.019 57.221 58.200 0.068 0.000 1.028 115 S CB 0.346 63.577 63.200 0.053 0.000 0.988 115 S HN 0.694 nan 8.310 nan 0.000 0.522 116 L N 1.894 123.148 121.223 0.051 0.000 2.141 116 L HA -0.052 4.287 4.340 -0.001 0.000 0.209 116 L C 2.129 179.025 176.870 0.042 0.000 1.094 116 L CA 0.934 55.806 54.840 0.053 0.000 0.763 116 L CB -0.804 41.296 42.059 0.068 0.000 0.908 116 L HN 0.704 nan 8.230 nan 0.000 0.437 117 L N -0.111 121.115 121.223 0.004 0.000 2.023 117 L HA -0.109 4.230 4.340 -0.001 0.000 0.205 117 L C 2.995 179.881 176.870 0.028 0.000 1.073 117 L CA 1.101 55.915 54.840 -0.043 0.000 0.745 117 L CB -0.885 41.133 42.059 -0.069 0.000 0.900 117 L HN 0.175 nan 8.230 nan 0.000 0.435 118 A N 0.516 123.355 122.820 0.031 0.000 1.873 118 A HA -0.275 4.045 4.320 -0.001 0.000 0.218 118 A C 2.552 180.165 177.584 0.049 0.000 1.193 118 A CA 2.294 54.349 52.037 0.030 0.000 0.629 118 A CB -0.981 18.040 19.000 0.035 0.000 0.826 118 A HN 0.421 nan 8.150 nan 0.000 0.447 119 A N -1.523 121.355 122.820 0.097 0.000 1.908 119 A HA -0.091 4.229 4.320 -0.001 0.000 0.218 119 A C 2.092 179.791 177.584 0.191 0.000 1.181 119 A CA 1.749 53.888 52.037 0.171 0.000 0.627 119 A CB -0.750 18.325 19.000 0.124 0.000 0.818 119 A HN 0.719 nan 8.150 nan 0.000 0.445 120 F N 1.199 121.125 119.950 -0.039 0.000 2.102 120 F HA -0.194 4.332 4.527 -0.001 0.000 0.298 120 F C 1.894 177.643 175.800 -0.085 0.000 1.105 120 F CA 2.118 60.066 58.000 -0.087 0.000 1.239 120 F CB -0.178 38.706 39.000 -0.193 0.000 0.991 120 F HN 0.244 nan 8.300 nan 0.000 0.474 121 D N -0.076 120.310 120.400 -0.025 0.000 2.149 121 D HA -0.202 4.438 4.640 -0.001 0.000 0.198 121 D C 2.228 178.376 176.300 -0.253 0.000 0.990 121 D CA 1.193 55.110 54.000 -0.138 0.000 0.839 121 D CB -0.370 40.390 40.800 -0.067 0.000 0.948 121 D HN 0.440 nan 8.370 nan 0.000 0.460 122 Q N -0.559 119.083 119.800 -0.262 0.000 2.016 122 Q HA -0.124 4.215 4.340 -0.001 0.000 0.200 122 Q C 2.406 177.914 176.000 -0.820 0.000 0.978 122 Q CA 0.763 56.183 55.803 -0.637 0.000 0.833 122 Q CB -0.346 27.975 28.738 -0.695 0.000 0.895 122 Q HN 0.535 nan 8.270 nan 0.000 0.427 123 W N 1.257 122.226 121.300 -0.552 0.000 2.342 123 W HA -0.166 4.493 4.660 -0.001 0.000 0.297 123 W C 2.113 178.436 176.519 -0.327 0.000 1.213 123 W CA 0.789 58.008 57.345 -0.210 0.000 1.251 123 W CB -0.056 29.373 29.460 -0.051 0.000 1.136 123 W HN 0.208 nan 8.180 nan 0.000 0.526 124 R N 0.359 120.680 120.500 -0.299 0.000 2.070 124 R HA -0.169 4.170 4.340 -0.001 0.000 0.233 124 R C 1.857 178.012 176.300 -0.242 0.000 1.137 124 R CA 1.536 57.440 56.100 -0.327 0.000 0.945 124 R CB -1.132 28.895 30.300 -0.456 0.000 0.845 124 R HN 0.282 nan 8.270 nan 0.000 0.430 125 E N -0.202 119.832 120.200 -0.277 0.000 2.035 125 E HA -0.231 4.119 4.350 -0.001 0.000 0.204 125 E C 1.850 178.368 176.600 -0.136 0.000 1.025 125 E CA 1.750 58.014 56.400 -0.227 0.000 0.835 125 E CB -0.147 29.358 29.700 -0.325 0.000 0.764 125 E HN 0.284 nan 8.360 nan 0.000 0.457 126 W N -0.028 121.138 121.300 -0.224 0.000 2.317 126 W HA -0.152 4.507 4.660 -0.001 0.000 0.318 126 W C 2.496 178.771 176.519 -0.406 0.000 1.227 126 W CA 1.288 58.490 57.345 -0.239 0.000 1.269 126 W CB -1.348 27.991 29.460 -0.202 0.000 1.155 126 W HN 0.287 nan 8.180 nan 0.000 0.484 127 A N -0.080 122.413 122.820 -0.545 0.000 1.929 127 A HA -0.161 4.158 4.320 -0.001 0.000 0.216 127 A C 1.775 178.978 177.584 -0.634 0.000 1.176 127 A CA 1.952 53.292 52.037 -1.162 0.000 0.628 127 A CB -0.776 17.101 19.000 -1.872 0.000 0.816 127 A HN 0.116 nan 8.150 nan 0.000 0.444 128 D N 0.180 120.403 120.400 -0.294 0.000 2.144 128 D HA -0.101 4.538 4.640 -0.001 0.000 0.200 128 D C 2.444 178.715 176.300 -0.049 0.000 0.978 128 D CA 1.738 55.700 54.000 -0.063 0.000 0.833 128 D CB -0.178 40.621 40.800 -0.003 0.000 0.961 128 D HN 0.550 nan 8.370 nan 0.000 0.470 129 S N -0.310 115.354 115.700 -0.059 0.000 2.414 129 S HA 0.010 4.479 4.470 -0.001 0.000 0.227 129 S C 1.721 176.313 174.600 -0.014 0.000 1.022 129 S CA 0.597 58.783 58.200 -0.024 0.000 0.958 129 S CB 0.092 63.290 63.200 -0.005 0.000 0.797 129 S HN 0.162 nan 8.310 nan 0.000 0.493 130 K N 0.873 121.258 120.400 -0.025 0.000 2.350 130 K HA 0.278 4.598 4.320 -0.001 0.000 0.196 130 K C 0.715 177.373 176.600 0.097 0.000 1.084 130 K CA 0.066 56.392 56.287 0.064 0.000 0.967 130 K CB 0.218 32.789 32.500 0.119 0.000 0.950 130 K HN 0.221 nan 8.250 nan 0.000 0.512 131 S N 0.444 116.110 115.700 -0.056 0.000 2.537 131 S HA -0.039 4.431 4.470 -0.001 0.000 0.286 131 S C 1.005 175.632 174.600 0.045 0.000 1.299 131 S CA -0.525 57.652 58.200 -0.039 0.000 1.067 131 S CB 0.395 63.443 63.200 -0.255 0.000 0.864 131 S HN 0.318 nan 8.310 nan 0.000 0.494 132 C N 4.035 123.356 119.300 0.036 0.000 2.673 132 C HA 0.288 4.747 4.460 -0.001 0.000 0.264 132 C C 1.143 176.163 174.990 0.050 0.000 1.304 132 C CA -0.658 58.386 59.018 0.044 0.000 1.727 132 C CB -2.153 25.564 27.740 -0.039 0.000 1.932 132 C HN 0.934 nan 8.230 nan 0.000 0.563 133 C N -1.105 118.239 119.300 0.074 0.000 3.080 133 C HA 0.611 5.070 4.460 -0.001 0.000 0.307 133 C C -0.878 174.213 174.990 0.168 0.000 1.311 133 C CA -1.045 58.031 59.018 0.096 0.000 1.533 133 C CB 0.354 28.142 27.740 0.080 0.000 1.970 133 C HN 0.277 nan 8.230 nan 0.000 0.467 134 D N 1.228 121.708 120.400 0.133 0.000 2.443 134 D HA 0.388 5.027 4.640 -0.001 0.000 0.234 134 D C -0.462 175.966 176.300 0.213 0.000 1.172 134 D CA 1.197 55.276 54.000 0.131 0.000 0.878 134 D CB 0.208 41.020 40.800 0.020 0.000 1.204 134 D HN 0.856 nan 8.370 nan 0.000 0.453 135 Y N -2.037 118.264 120.300 0.002 0.000 2.592 135 Y HA 0.587 5.137 4.550 -0.001 0.000 0.334 135 Y C -1.003 174.868 175.900 -0.047 0.000 1.136 135 Y CA -0.955 57.159 58.100 0.024 0.000 1.042 135 Y CB 0.934 39.458 38.460 0.106 0.000 1.325 135 Y HN 0.241 nan 8.280 nan 0.000 0.457 136 S N 1.408 117.026 115.700 -0.137 0.000 2.851 136 S HA 0.874 5.343 4.470 -0.001 0.000 0.317 136 S C -1.866 172.720 174.600 -0.023 0.000 1.144 136 S CA -0.885 57.166 58.200 -0.248 0.000 0.862 136 S CB 1.226 64.181 63.200 -0.408 0.000 1.259 136 S HN 0.715 nan 8.310 nan 0.000 0.564 137 L N 1.877 123.048 121.223 -0.086 0.000 2.493 137 L HA 0.490 4.830 4.340 -0.001 0.000 0.265 137 L C -1.231 175.380 176.870 -0.432 0.000 0.954 137 L CA -0.761 53.984 54.840 -0.159 0.000 0.844 137 L CB 1.921 44.028 42.059 0.080 0.000 1.302 137 L HN 0.750 nan 8.230 nan 0.000 0.405 138 H N 1.000 119.820 119.070 -0.418 0.000 2.546 138 H HA 0.504 5.060 4.556 -0.001 0.000 0.365 138 H C -0.555 174.556 175.328 -0.362 0.000 1.220 138 H CA -0.547 55.195 56.048 -0.509 0.000 1.386 138 H CB 1.599 30.904 29.762 -0.762 0.000 1.510 138 H HN 0.170 nan 8.280 nan 0.000 0.591 139 V N 2.525 122.287 119.914 -0.252 0.000 2.378 139 V HA 0.111 4.231 4.120 -0.001 0.000 0.288 139 V C -0.614 175.487 176.094 0.011 0.000 1.016 139 V CA -0.830 61.386 62.300 -0.142 0.000 0.840 139 V CB 1.224 32.967 31.823 -0.134 0.000 0.994 139 V HN 0.766 nan 8.190 nan 0.000 0.431 140 D N 4.298 124.699 120.400 0.002 0.000 2.302 140 D HA 0.476 5.115 4.640 -0.001 0.000 0.248 140 D C -0.181 176.149 176.300 0.051 0.000 1.094 140 D CA 0.173 54.194 54.000 0.035 0.000 0.897 140 D CB 1.486 42.291 40.800 0.008 0.000 1.200 140 D HN 0.356 nan 8.370 nan 0.000 0.429 141 I N 1.342 121.970 120.570 0.096 0.000 2.339 141 I HA 0.089 4.258 4.170 -0.001 0.000 0.290 141 I C 0.982 177.154 176.117 0.092 0.000 0.994 141 I CA -0.168 61.197 61.300 0.110 0.000 1.191 141 I CB 1.472 39.558 38.000 0.143 0.000 1.343 141 I HN 0.338 nan 8.210 nan 0.000 0.458 142 S N 3.518 119.247 115.700 0.047 0.000 2.505 142 S HA 0.189 4.659 4.470 -0.001 0.000 0.216 142 S C 0.249 175.002 174.600 0.255 0.000 1.018 142 S CA -0.312 57.943 58.200 0.091 0.000 0.911 142 S CB 0.007 63.261 63.200 0.091 0.000 0.818 142 S HN 0.761 nan 8.310 nan 0.000 0.497 143 E N -0.493 119.827 120.200 0.201 0.000 2.392 143 E HA 0.338 4.687 4.350 -0.001 0.000 0.279 143 E C -1.950 174.774 176.600 0.207 0.000 0.964 143 E CA -1.075 55.453 56.400 0.214 0.000 0.777 143 E CB 0.951 30.769 29.700 0.197 0.000 1.249 143 E HN 0.374 nan 8.360 nan 0.000 0.449 144 W N 4.091 125.383 121.300 -0.013 0.000 2.600 144 W HA 0.411 5.071 4.660 -0.001 0.000 0.325 144 W C -1.591 174.914 176.519 -0.024 0.000 1.034 144 W CA -0.333 56.963 57.345 -0.082 0.000 1.226 144 W CB 1.523 30.982 29.460 -0.003 0.000 1.379 144 W HN 0.980 nan 8.180 nan 0.000 0.466 145 H N 1.594 120.298 119.070 -0.610 0.000 2.902 145 H HA 0.458 5.014 4.556 -0.001 0.000 0.297 145 H C -1.420 173.423 175.328 -0.809 0.000 1.406 145 H CA -1.099 54.579 56.048 -0.617 0.000 1.134 145 H CB 0.324 29.939 29.762 -0.246 0.000 1.833 145 H HN 0.048 nan 8.280 nan 0.000 0.527 146 K N -0.012 120.232 120.400 -0.260 0.000 2.436 146 K HA 0.393 4.712 4.320 -0.001 0.000 0.275 146 K C 1.316 177.880 176.600 -0.060 0.000 0.999 146 K CA 1.294 57.445 56.287 -0.227 0.000 0.980 146 K CB 0.105 32.539 32.500 -0.111 0.000 0.919 146 K HN 1.055 nan 8.250 nan 0.000 0.484 147 G N 1.636 110.356 108.800 -0.133 0.000 2.268 147 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.240 147 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.240 147 G C 0.979 175.824 174.900 -0.091 0.000 1.010 147 G CA 0.167 45.239 45.100 -0.045 0.000 0.618 147 G HN 0.458 nan 8.290 nan 0.000 0.516 148 I N 1.667 122.063 120.570 -0.290 0.000 2.179 148 I HA -0.175 3.995 4.170 -0.001 0.000 0.242 148 I C 2.768 178.784 176.117 -0.167 0.000 1.088 148 I CA 2.575 63.697 61.300 -0.297 0.000 1.357 148 I CB -1.236 36.489 38.000 -0.459 0.000 1.051 148 I HN 0.638 nan 8.210 nan 0.000 0.409 149 Q N 1.156 120.791 119.800 -0.275 0.000 2.029 149 Q HA -0.301 4.038 4.340 -0.001 0.000 0.209 149 Q C 2.188 178.158 176.000 -0.050 0.000 0.999 149 Q CA 2.630 58.381 55.803 -0.088 0.000 0.857 149 Q CB -0.281 28.392 28.738 -0.109 0.000 0.926 149 Q HN 0.488 nan 8.270 nan 0.000 0.415 150 E N -0.256 119.911 120.200 -0.056 0.000 2.097 150 E HA -0.258 4.091 4.350 -0.001 0.000 0.196 150 E C 1.901 178.499 176.600 -0.004 0.000 1.000 150 E CA 1.720 58.107 56.400 -0.021 0.000 0.804 150 E CB 0.017 29.707 29.700 -0.017 0.000 0.740 150 E HN 0.511 nan 8.360 nan 0.000 0.454 151 E N -0.260 119.936 120.200 -0.007 0.000 2.072 151 E HA -0.188 4.161 4.350 -0.001 0.000 0.191 151 E C 2.215 178.838 176.600 0.038 0.000 0.985 151 E CA 1.171 57.580 56.400 0.016 0.000 0.801 151 E CB -0.100 29.608 29.700 0.013 0.000 0.750 151 E HN 0.376 nan 8.360 nan 0.000 0.452 152 M N 0.612 120.213 119.600 0.000 0.000 2.080 152 M HA -0.207 4.273 4.480 -0.001 0.000 0.260 152 M C 2.088 178.400 176.300 0.021 0.000 1.068 152 M CA 1.603 56.868 55.300 -0.058 0.000 1.109 152 M CB -0.343 32.007 32.600 -0.417 0.000 1.342 152 M HN 0.052 nan 8.290 nan 0.000 0.405 153 E N 0.415 120.610 120.200 -0.007 0.000 2.118 153 E HA -0.170 4.179 4.350 -0.001 0.000 0.195 153 E C 2.064 178.691 176.600 0.044 0.000 0.992 153 E CA 1.374 57.785 56.400 0.019 0.000 0.804 153 E CB -0.178 29.529 29.700 0.012 0.000 0.741 153 E HN 0.524 nan 8.360 nan 0.000 0.458 154 A N 0.724 123.575 122.820 0.052 0.000 1.929 154 A HA -0.102 4.218 4.320 -0.001 0.000 0.216 154 A C 2.138 179.792 177.584 0.116 0.000 1.176 154 A CA 0.803 52.880 52.037 0.067 0.000 0.628 154 A CB -0.469 18.580 19.000 0.082 0.000 0.816 154 A HN 0.128 nan 8.150 nan 0.000 0.444 155 L N -0.436 120.862 121.223 0.126 0.000 2.046 155 L HA -0.164 4.175 4.340 -0.001 0.000 0.208 155 L C 2.525 179.414 176.870 0.031 0.000 1.077 155 L CA 1.099 55.978 54.840 0.066 0.000 0.747 155 L CB -0.434 41.593 42.059 -0.054 0.000 0.896 155 L HN 0.256 nan 8.230 nan 0.000 0.432 156 V N -0.428 119.540 119.914 0.090 0.000 2.343 156 V HA -0.289 3.830 4.120 -0.001 0.000 0.247 156 V C 2.480 178.582 176.094 0.014 0.000 1.051 156 V CA 1.690 64.022 62.300 0.053 0.000 1.036 156 V CB -0.518 31.354 31.823 0.082 0.000 0.654 156 V HN 0.385 nan 8.190 nan 0.000 0.451 157 K N -0.192 120.214 120.400 0.009 0.000 1.985 157 K HA -0.158 4.161 4.320 -0.001 0.000 0.210 157 K C 1.743 178.299 176.600 -0.073 0.000 1.047 157 K CA 1.817 58.093 56.287 -0.017 0.000 0.932 157 K CB -0.171 32.320 32.500 -0.015 0.000 0.716 157 K HN 0.465 nan 8.250 nan 0.000 0.439 158 D N -1.457 118.845 120.400 -0.164 0.000 2.389 158 D HA 0.017 4.656 4.640 -0.001 0.000 0.206 158 D C 1.054 177.059 176.300 -0.492 0.000 1.055 158 D CA 0.647 54.428 54.000 -0.365 0.000 0.856 158 D CB 0.509 40.982 40.800 -0.545 0.000 0.957 158 D HN 0.320 nan 8.370 nan 0.000 0.509 159 H N -0.805 118.224 119.070 -0.068 0.000 3.233 159 H HA 0.284 4.839 4.556 -0.001 0.000 0.263 159 H C 1.027 176.386 175.328 0.053 0.000 1.168 159 H CA 0.559 56.557 56.048 -0.083 0.000 1.159 159 H CB 1.634 31.130 29.762 -0.443 0.000 1.593 159 H HN 0.101 nan 8.280 nan 0.000 0.580 160 G N 1.684 110.548 108.800 0.107 0.000 2.171 160 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.238 160 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.238 160 G C -0.182 174.762 174.900 0.072 0.000 1.039 160 G CA 0.298 45.466 45.100 0.114 0.000 0.759 160 G HN 0.189 nan 8.290 nan 0.000 0.501 161 V N 1.214 121.116 119.914 -0.020 0.000 2.398 161 V HA 0.540 4.659 4.120 -0.001 0.000 0.286 161 V C 0.572 176.587 176.094 -0.132 0.000 1.026 161 V CA -0.136 62.086 62.300 -0.130 0.000 0.868 161 V CB 1.773 33.415 31.823 -0.302 0.000 0.982 161 V HN 0.574 nan 8.190 nan 0.000 0.443 162 N N 1.914 120.540 118.700 -0.124 0.000 2.282 162 N HA 0.134 4.874 4.740 -0.001 0.000 0.240 162 N C -0.365 175.148 175.510 0.004 0.000 1.182 162 N CA -0.133 52.897 53.050 -0.033 0.000 0.874 162 N CB 0.906 39.404 38.487 0.018 0.000 1.126 162 N HN 0.565 nan 8.380 nan 0.000 0.516 163 S N -1.005 114.565 115.700 -0.216 0.000 2.563 163 S HA 0.683 5.152 4.470 -0.001 0.000 0.279 163 S C -1.376 172.961 174.600 -0.438 0.000 1.155 163 S CA -0.892 57.239 58.200 -0.115 0.000 0.928 163 S CB 0.315 63.569 63.200 0.090 0.000 1.107 163 S HN 0.038 nan 8.310 nan 0.000 0.462 164 F N 1.305 121.254 119.950 -0.001 0.000 2.588 164 F HA 0.754 5.280 4.527 -0.001 0.000 0.314 164 F C -0.477 175.293 175.800 -0.050 0.000 1.069 164 F CA -1.034 56.953 58.000 -0.021 0.000 0.931 164 F CB 1.937 40.926 39.000 -0.018 0.000 1.260 164 F HN 0.734 nan 8.300 nan 0.000 0.465 165 L N 3.535 124.826 121.223 0.114 0.000 2.381 165 L HA 0.847 5.186 4.340 -0.001 0.000 0.274 165 L C -1.244 175.594 176.870 -0.053 0.000 0.988 165 L CA -0.887 53.938 54.840 -0.026 0.000 0.824 165 L CB 1.497 43.489 42.059 -0.111 0.000 1.263 165 L HN 0.540 nan 8.230 nan 0.000 0.410 166 V N 1.138 121.010 119.914 -0.070 0.000 2.630 166 V HA 0.549 4.669 4.120 -0.001 0.000 0.305 166 V C -1.011 175.044 176.094 -0.065 0.000 1.046 166 V CA -0.635 61.658 62.300 -0.013 0.000 0.934 166 V CB 1.410 33.231 31.823 -0.004 0.000 1.003 166 V HN 0.622 nan 8.190 nan 0.000 0.451 167 Y N 3.178 123.553 120.300 0.125 0.000 2.323 167 Y HA 0.577 5.126 4.550 -0.001 0.000 0.331 167 Y C 1.127 177.119 175.900 0.153 0.000 1.092 167 Y CA -0.864 57.350 58.100 0.190 0.000 1.150 167 Y CB 1.993 40.623 38.460 0.283 0.000 1.200 167 Y HN 0.604 nan 8.280 nan 0.000 0.472 168 M N 1.765 121.531 119.600 0.277 0.000 2.371 168 M HA 0.363 4.842 4.480 -0.001 0.000 0.246 168 M C 0.404 176.791 176.300 0.145 0.000 1.103 168 M CA 0.094 55.503 55.300 0.181 0.000 1.010 168 M CB 0.401 33.076 32.600 0.124 0.000 1.457 168 M HN 0.633 nan 8.290 nan 0.000 0.486 169 A N -0.150 122.760 122.820 0.150 0.000 2.344 169 A HA 0.808 5.127 4.320 -0.001 0.000 0.307 169 A C -0.563 176.972 177.584 -0.083 0.000 1.151 169 A CA -0.528 51.426 52.037 -0.139 0.000 0.842 169 A CB 0.469 19.183 19.000 -0.476 0.000 1.350 169 A HN 0.426 nan 8.150 nan 0.000 0.459 170 F N -1.273 118.686 119.950 0.016 0.000 2.535 170 F HA -0.132 4.394 4.527 -0.001 0.000 0.386 170 F C 0.461 176.224 175.800 -0.062 0.000 1.115 170 F CA 0.852 58.807 58.000 -0.075 0.000 1.261 170 F CB -1.530 37.343 39.000 -0.213 0.000 1.785 170 F HN 0.707 nan 8.300 nan 0.000 0.793 171 K N 2.425 122.873 120.400 0.080 0.000 2.489 171 K HA 0.029 4.348 4.320 -0.001 0.000 0.278 171 K C 0.920 177.541 176.600 0.036 0.000 1.000 171 K CA 0.785 57.106 56.287 0.057 0.000 1.012 171 K CB 0.341 32.862 32.500 0.034 0.000 0.903 171 K HN 0.521 nan 8.250 nan 0.000 0.485 172 D N 1.252 121.675 120.400 0.039 0.000 3.059 172 D HA -0.222 4.417 4.640 -0.001 0.000 0.220 172 D C 0.623 176.908 176.300 -0.026 0.000 1.169 172 D CA 1.571 55.581 54.000 0.018 0.000 0.902 172 D CB -0.447 40.358 40.800 0.007 0.000 1.116 172 D HN 0.805 nan 8.370 nan 0.000 0.417 173 R N -1.280 119.185 120.500 -0.058 0.000 3.609 173 R HA 0.173 4.512 4.340 -0.001 0.000 0.149 173 R C 1.080 177.288 176.300 -0.154 0.000 0.948 173 R CA 0.071 56.030 56.100 -0.235 0.000 1.014 173 R CB 0.100 30.113 30.300 -0.479 0.000 1.404 173 R HN -0.012 nan 8.270 nan 0.000 0.493 174 F N 1.423 121.354 119.950 -0.030 0.000 2.752 174 F HA 0.394 4.920 4.527 -0.001 0.000 0.310 174 F C 0.359 176.222 175.800 0.104 0.000 1.097 174 F CA -0.401 57.567 58.000 -0.054 0.000 1.238 174 F CB -0.220 38.508 39.000 -0.453 0.000 1.061 174 F HN 0.149 nan 8.300 nan 0.000 0.591 175 Q N 1.897 121.870 119.800 0.288 0.000 2.263 175 Q HA 0.161 4.501 4.340 -0.001 0.000 0.289 175 Q C -1.062 175.060 176.000 0.204 0.000 1.061 175 Q CA 0.138 56.087 55.803 0.242 0.000 0.927 175 Q CB 0.494 29.326 28.738 0.157 0.000 1.154 175 Q HN 0.050 nan 8.270 nan 0.000 0.378 176 L N 3.217 124.555 121.223 0.191 0.000 2.334 176 L HA 0.425 4.765 4.340 -0.001 0.000 0.272 176 L C 0.444 177.378 176.870 0.107 0.000 1.020 176 L CA -0.169 54.758 54.840 0.146 0.000 0.812 176 L CB 1.719 43.846 42.059 0.115 0.000 1.264 176 L HN 0.850 nan 8.230 nan 0.000 0.439 177 T N -2.745 111.865 114.554 0.094 0.000 2.788 177 T HA 0.171 4.521 4.350 -0.001 0.000 0.280 177 T C 0.680 175.414 174.700 0.057 0.000 0.984 177 T CA -0.542 61.602 62.100 0.074 0.000 0.972 177 T CB 0.581 69.494 68.868 0.075 0.000 1.039 177 T HN 0.495 nan 8.240 nan 0.000 0.530 178 D N 0.074 120.504 120.400 0.049 0.000 2.117 178 D HA -0.084 4.555 4.640 -0.001 0.000 0.197 178 D C 2.294 178.633 176.300 0.065 0.000 0.987 178 D CA 1.507 55.537 54.000 0.051 0.000 0.829 178 D CB -0.724 40.101 40.800 0.042 0.000 0.961 178 D HN 0.805 nan 8.370 nan 0.000 0.460 179 C N 0.044 119.372 119.300 0.047 0.000 2.450 179 C HA 0.049 4.508 4.460 -0.001 0.000 0.279 179 C C 2.487 177.524 174.990 0.078 0.000 1.335 179 C CA -0.151 58.900 59.018 0.055 0.000 1.749 179 C CB -1.177 26.567 27.740 0.006 0.000 1.963 179 C HN 0.232 nan 8.230 nan 0.000 0.501 180 Q N 1.138 120.968 119.800 0.050 0.000 2.061 180 Q HA -0.121 4.219 4.340 -0.001 0.000 0.204 180 Q C 2.242 178.085 176.000 -0.261 0.000 0.984 180 Q CA 1.881 57.652 55.803 -0.052 0.000 0.846 180 Q CB -0.248 28.520 28.738 0.050 0.000 0.902 180 Q HN 0.759 nan 8.270 nan 0.000 0.421 181 I N -0.541 119.960 120.570 -0.116 0.000 2.226 181 I HA -0.300 3.869 4.170 -0.001 0.000 0.245 181 I C 2.179 178.231 176.117 -0.107 0.000 1.100 181 I CA 1.125 62.347 61.300 -0.130 0.000 1.374 181 I CB -0.303 37.677 38.000 -0.033 0.000 1.057 181 I HN 0.238 nan 8.210 nan 0.000 0.413 182 Y N 1.888 122.111 120.300 -0.127 0.000 2.165 182 Y HA -0.304 4.245 4.550 -0.001 0.000 0.286 182 Y C 2.391 178.221 175.900 -0.116 0.000 1.155 182 Y CA 1.897 59.943 58.100 -0.091 0.000 1.164 182 Y CB -0.228 38.208 38.460 -0.041 0.000 0.978 182 Y HN 0.214 nan 8.280 nan 0.000 0.513 183 E N -1.007 119.238 120.200 0.075 0.000 2.072 183 E HA -0.157 4.193 4.350 -0.001 0.000 0.191 183 E C 2.226 178.650 176.600 -0.294 0.000 0.985 183 E CA 1.496 57.899 56.400 0.005 0.000 0.801 183 E CB -0.219 29.596 29.700 0.191 0.000 0.750 183 E HN 0.322 nan 8.360 nan 0.000 0.452 184 V N 1.132 120.617 119.914 -0.714 0.000 2.427 184 V HA -0.207 3.913 4.120 -0.001 0.000 0.248 184 V C 2.050 177.916 176.094 -0.380 0.000 1.051 184 V CA 1.125 62.936 62.300 -0.816 0.000 1.048 184 V CB -0.263 31.017 31.823 -0.906 0.000 0.666 184 V HN 0.202 nan 8.190 nan 0.000 0.456 185 L N -0.102 120.948 121.223 -0.287 0.000 2.217 185 L HA -0.035 4.305 4.340 -0.001 0.000 0.211 185 L C 2.507 179.273 176.870 -0.174 0.000 1.107 185 L CA 1.516 56.238 54.840 -0.197 0.000 0.783 185 L CB -1.021 40.925 42.059 -0.189 0.000 0.919 185 L HN 0.258 nan 8.230 nan 0.000 0.442 186 S N -1.181 114.401 115.700 -0.197 0.000 2.371 186 S HA -0.099 4.370 4.470 -0.001 0.000 0.224 186 S C 2.093 176.667 174.600 -0.043 0.000 1.029 186 S CA 1.057 59.184 58.200 -0.121 0.000 0.978 186 S CB -0.176 62.963 63.200 -0.102 0.000 0.833 186 S HN 0.205 nan 8.310 nan 0.000 0.466 187 V N 2.213 122.103 119.914 -0.040 0.000 2.295 187 V HA -0.164 3.955 4.120 -0.001 0.000 0.246 187 V C 2.087 178.149 176.094 -0.053 0.000 1.049 187 V CA 1.527 63.822 62.300 -0.008 0.000 1.024 187 V CB -0.675 31.180 31.823 0.053 0.000 0.648 187 V HN 0.413 nan 8.190 nan 0.000 0.447 188 I N -0.289 120.222 120.570 -0.099 0.000 2.127 188 I HA -0.292 3.877 4.170 -0.001 0.000 0.241 188 I C 2.782 178.914 176.117 0.024 0.000 1.075 188 I CA 1.989 63.254 61.300 -0.057 0.000 1.334 188 I CB -0.489 37.492 38.000 -0.032 0.000 1.040 188 I HN 0.227 nan 8.210 nan 0.000 0.405 189 R N 0.886 121.411 120.500 0.042 0.000 2.083 189 R HA -0.234 4.106 4.340 -0.001 0.000 0.237 189 R C 1.822 178.207 176.300 0.143 0.000 1.137 189 R CA 2.249 58.434 56.100 0.142 0.000 0.951 189 R CB -0.352 29.997 30.300 0.081 0.000 0.851 189 R HN 0.323 nan 8.270 nan 0.000 0.434 190 D N 0.578 121.025 120.400 0.080 0.000 2.178 190 D HA -0.136 4.503 4.640 -0.001 0.000 0.201 190 D C 1.752 178.109 176.300 0.094 0.000 0.980 190 D CA 1.470 55.532 54.000 0.102 0.000 0.842 190 D CB -0.069 40.774 40.800 0.071 0.000 0.948 190 D HN 0.578 nan 8.370 nan 0.000 0.472 191 I N -3.987 116.571 120.570 -0.021 0.000 3.793 191 I HA 0.299 4.468 4.170 -0.001 0.000 0.315 191 I C 1.084 176.898 176.117 -0.505 0.000 1.275 191 I CA 0.540 61.782 61.300 -0.097 0.000 1.214 191 I CB 0.216 38.186 38.000 -0.049 0.000 1.018 191 I HN -0.015 nan 8.210 nan 0.000 0.439 192 G N 1.759 110.081 108.800 -0.796 0.000 2.149 192 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.235 192 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.235 192 G C 0.174 174.600 174.900 -0.791 0.000 1.018 192 G CA 0.063 44.051 45.100 -1.853 0.000 0.728 192 G HN 0.927 nan 8.290 nan 0.000 0.508 193 A N -0.814 121.910 122.820 -0.161 0.000 2.269 193 A HA 0.888 5.207 4.320 -0.001 0.000 0.327 193 A C -0.041 177.685 177.584 0.237 0.000 1.112 193 A CA -0.706 51.392 52.037 0.101 0.000 0.865 193 A CB 0.815 19.982 19.000 0.278 0.000 1.227 193 A HN 0.628 nan 8.150 nan 0.000 0.498 194 I N 0.771 121.470 120.570 0.215 0.000 2.353 194 I HA 0.441 4.610 4.170 -0.001 0.000 0.293 194 I C 0.774 176.993 176.117 0.170 0.000 0.992 194 I CA -0.574 60.831 61.300 0.174 0.000 1.268 194 I CB 1.116 39.209 38.000 0.155 0.000 1.387 194 I HN 0.594 nan 8.210 nan 0.000 0.478 195 A N 7.246 130.142 122.820 0.128 0.000 2.391 195 A HA 0.472 4.791 4.320 -0.001 0.000 0.316 195 A C 0.136 177.794 177.584 0.122 0.000 1.381 195 A CA -0.493 51.604 52.037 0.100 0.000 0.998 195 A CB -0.258 18.763 19.000 0.036 0.000 1.147 195 A HN 0.733 nan 8.150 nan 0.000 0.545 196 Q N 0.625 120.485 119.800 0.100 0.000 2.260 196 Q HA 0.651 4.990 4.340 -0.001 0.000 0.238 196 Q C -0.808 175.229 176.000 0.062 0.000 0.948 196 Q CA -0.549 55.327 55.803 0.122 0.000 0.895 196 Q CB 1.971 30.702 28.738 -0.011 0.000 1.218 196 Q HN 0.504 nan 8.270 nan 0.000 0.470 197 V N 0.491 120.450 119.914 0.075 0.000 2.888 197 V HA 0.153 4.272 4.120 -0.001 0.000 0.309 197 V C -0.992 175.120 176.094 0.030 0.000 1.114 197 V CA -0.916 61.398 62.300 0.023 0.000 0.940 197 V CB 1.957 33.803 31.823 0.038 0.000 1.021 197 V HN 0.742 nan 8.190 nan 0.000 0.426 198 H N 3.735 122.734 119.070 -0.118 0.000 2.685 198 H HA 0.679 5.234 4.556 -0.001 0.000 0.286 198 H C -0.324 175.027 175.328 0.039 0.000 1.102 198 H CA -0.152 55.881 56.048 -0.025 0.000 1.254 198 H CB 1.352 31.095 29.762 -0.032 0.000 1.397 198 H HN 0.812 nan 8.280 nan 0.000 0.473 199 A N 5.944 128.784 122.820 0.033 0.000 2.654 199 A HA 0.406 4.725 4.320 -0.001 0.000 0.345 199 A C -0.354 177.242 177.584 0.019 0.000 1.368 199 A CA -0.595 51.472 52.037 0.050 0.000 0.895 199 A CB 0.205 19.207 19.000 0.004 0.000 1.143 199 A HN 0.801 nan 8.150 nan 0.000 0.490 200 E N 1.121 121.379 120.200 0.096 0.000 2.340 200 E HA 0.178 4.528 4.350 -0.001 0.000 0.273 200 E C -0.976 175.641 176.600 0.030 0.000 0.891 200 E CA -1.042 55.379 56.400 0.036 0.000 0.757 200 E CB 1.693 31.411 29.700 0.029 0.000 1.231 200 E HN 0.542 nan 8.360 nan 0.000 0.439 201 N N 1.584 120.286 118.700 0.005 0.000 2.400 201 N HA 0.013 4.752 4.740 -0.001 0.000 0.267 201 N C 0.705 176.208 175.510 -0.012 0.000 1.208 201 N CA 0.175 53.228 53.050 0.005 0.000 0.951 201 N CB 0.984 39.473 38.487 0.002 0.000 1.227 201 N HN 0.770 nan 8.380 nan 0.000 0.488 202 G N 2.915 111.708 108.800 -0.011 0.000 2.471 202 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.219 202 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.219 202 G C 1.041 175.936 174.900 -0.010 0.000 1.125 202 G CA 0.338 45.418 45.100 -0.034 0.000 0.775 202 G HN 0.497 nan 8.290 nan 0.000 0.548 203 D N 0.593 120.996 120.400 0.005 0.000 2.103 203 D HA -0.019 4.620 4.640 -0.001 0.000 0.199 203 D C 2.554 178.856 176.300 0.004 0.000 0.978 203 D CA 0.354 54.359 54.000 0.010 0.000 0.829 203 D CB -0.162 40.647 40.800 0.015 0.000 0.981 203 D HN 0.325 nan 8.370 nan 0.000 0.464 204 I N 0.513 121.083 120.570 -0.001 0.000 2.286 204 I HA -0.212 3.957 4.170 -0.001 0.000 0.248 204 I C 2.148 178.260 176.117 -0.008 0.000 1.115 204 I CA 0.731 62.028 61.300 -0.004 0.000 1.392 204 I CB -0.129 37.865 38.000 -0.009 0.000 1.065 204 I HN -0.000 nan 8.210 nan 0.000 0.418 205 I N 0.665 121.225 120.570 -0.016 0.000 2.286 205 I HA -0.222 3.947 4.170 -0.001 0.000 0.245 205 I C 2.773 178.893 176.117 0.005 0.000 1.104 205 I CA 1.155 62.444 61.300 -0.019 0.000 1.397 205 I CB -0.389 37.583 38.000 -0.047 0.000 1.072 205 I HN 0.146 nan 8.210 nan 0.000 0.417 206 A N 0.333 123.156 122.820 0.005 0.000 1.933 206 A HA -0.175 4.144 4.320 -0.001 0.000 0.218 206 A C 2.222 179.816 177.584 0.017 0.000 1.175 206 A CA 1.402 53.447 52.037 0.014 0.000 0.628 206 A CB -0.337 18.669 19.000 0.011 0.000 0.814 206 A HN 0.322 nan 8.150 nan 0.000 0.444 207 E N 0.081 120.290 120.200 0.014 0.000 2.047 207 E HA -0.136 4.213 4.350 -0.001 0.000 0.191 207 E C 1.929 178.544 176.600 0.025 0.000 0.987 207 E CA 1.036 57.445 56.400 0.016 0.000 0.799 207 E CB -0.323 29.384 29.700 0.011 0.000 0.752 207 E HN 0.597 nan 8.360 nan 0.000 0.449 208 E N 1.111 121.327 120.200 0.025 0.000 2.106 208 E HA -0.142 4.207 4.350 -0.001 0.000 0.192 208 E C 2.139 178.789 176.600 0.083 0.000 0.984 208 E CA 0.587 57.008 56.400 0.034 0.000 0.806 208 E CB -0.168 29.537 29.700 0.008 0.000 0.750 208 E HN 0.378 nan 8.360 nan 0.000 0.458 209 Q N 0.398 120.266 119.800 0.114 0.000 2.029 209 Q HA -0.229 4.110 4.340 -0.001 0.000 0.209 209 Q C 2.262 178.338 176.000 0.126 0.000 0.999 209 Q CA 1.509 57.434 55.803 0.204 0.000 0.857 209 Q CB -0.138 28.674 28.738 0.123 0.000 0.926 209 Q HN 0.161 nan 8.270 nan 0.000 0.415 210 Q N 0.109 119.941 119.800 0.053 0.000 2.170 210 Q HA -0.129 4.211 4.340 -0.001 0.000 0.203 210 Q C 1.919 177.945 176.000 0.043 0.000 0.976 210 Q CA 1.220 57.038 55.803 0.025 0.000 0.858 210 Q CB -0.156 28.587 28.738 0.008 0.000 0.907 210 Q HN 0.286 nan 8.270 nan 0.000 0.433 211 R N -0.145 120.388 120.500 0.054 0.000 2.073 211 R HA -0.014 4.325 4.340 -0.001 0.000 0.229 211 R C 2.149 178.490 176.300 0.068 0.000 1.120 211 R CA 0.634 56.763 56.100 0.048 0.000 0.967 211 R CB 0.040 30.362 30.300 0.037 0.000 0.862 211 R HN 0.172 nan 8.270 nan 0.000 0.436 212 I N 1.042 121.675 120.570 0.106 0.000 2.315 212 I HA -0.244 3.925 4.170 -0.001 0.000 0.248 212 I C 2.241 178.472 176.117 0.189 0.000 1.117 212 I CA 1.087 62.467 61.300 0.134 0.000 1.404 212 I CB -0.540 37.549 38.000 0.149 0.000 1.071 212 I HN 0.297 nan 8.210 nan 0.000 0.419 213 L N 0.385 121.728 121.223 0.199 0.000 2.093 213 L HA -0.203 4.136 4.340 -0.001 0.000 0.208 213 L C 1.946 178.858 176.870 0.070 0.000 1.085 213 L CA 1.233 56.149 54.840 0.126 0.000 0.755 213 L CB -0.478 41.575 42.059 -0.011 0.000 0.904 213 L HN 0.194 nan 8.230 nan 0.000 0.435 214 D N -0.168 120.264 120.400 0.053 0.000 2.312 214 D HA -0.082 4.557 4.640 -0.001 0.000 0.211 214 D C 2.186 178.509 176.300 0.040 0.000 0.964 214 D CA 0.763 54.785 54.000 0.035 0.000 0.877 214 D CB 0.081 40.896 40.800 0.025 0.000 0.924 214 D HN 0.290 nan 8.370 nan 0.000 0.515 215 L N -0.530 120.725 121.223 0.053 0.000 2.478 215 L HA 0.064 4.403 4.340 -0.001 0.000 0.223 215 L C 1.573 178.474 176.870 0.052 0.000 1.140 215 L CA 0.638 55.508 54.840 0.049 0.000 0.842 215 L CB -0.121 41.969 42.059 0.052 0.000 0.953 215 L HN 0.168 nan 8.230 nan 0.000 0.452 216 G N 0.530 109.367 108.800 0.061 0.000 2.157 216 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.248 216 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.248 216 G C 0.257 175.207 174.900 0.084 0.000 0.979 216 G CA -0.274 44.863 45.100 0.062 0.000 0.650 216 G HN 0.282 nan 8.290 nan 0.000 0.529 217 I N 2.612 123.246 120.570 0.105 0.000 2.329 217 I HA 0.287 4.456 4.170 -0.001 0.000 0.295 217 I C 1.599 177.852 176.117 0.227 0.000 1.109 217 I CA 0.762 62.133 61.300 0.118 0.000 1.297 217 I CB 0.862 38.905 38.000 0.072 0.000 1.433 217 I HN 0.255 nan 8.210 nan 0.000 0.509 218 T N 0.558 115.244 114.554 0.221 0.000 3.040 218 T HA 0.228 4.577 4.350 -0.001 0.000 0.266 218 T C 0.824 175.750 174.700 0.378 0.000 1.005 218 T CA -0.266 62.024 62.100 0.316 0.000 0.906 218 T CB 0.377 69.341 68.868 0.160 0.000 1.082 218 T HN 0.514 nan 8.240 nan 0.000 0.531 219 G N 2.097 111.041 108.800 0.241 0.000 2.580 219 G HA2 0.480 4.439 3.960 -0.001 0.000 0.278 219 G HA3 0.480 4.439 3.960 -0.001 0.000 0.278 219 G C -1.676 173.240 174.900 0.027 0.000 1.212 219 G CA -1.605 43.618 45.100 0.205 0.000 0.939 219 G HN -0.056 nan 8.290 nan 0.000 0.513 220 P HA -0.147 nan 4.420 nan 0.000 0.217 220 P C 1.846 178.873 177.300 -0.455 0.000 1.148 220 P CA 1.470 64.428 63.100 -0.237 0.000 0.828 220 P CB 0.167 31.685 31.700 -0.302 0.000 0.783 221 E N -0.126 119.706 120.200 -0.613 0.000 2.209 221 E HA -0.154 4.195 4.350 -0.001 0.000 0.196 221 E C 2.111 178.206 176.600 -0.842 0.000 0.993 221 E CA 1.857 57.658 56.400 -1.000 0.000 0.819 221 E CB -1.667 27.175 29.700 -1.430 0.000 0.745 221 E HN 0.221 nan 8.360 nan 0.000 0.477 222 G N 0.574 108.863 108.800 -0.852 0.000 2.432 222 G HA2 -0.340 3.620 3.960 -0.001 0.000 0.219 222 G HA3 -0.340 3.620 3.960 -0.001 0.000 0.219 222 G C 1.465 175.420 174.900 -1.575 0.000 1.135 222 G CA 1.127 45.461 45.100 -1.278 0.000 0.767 222 G HN 0.479 nan 8.290 nan 0.000 0.550 223 H N 0.004 118.212 119.070 -1.437 0.000 2.267 223 H HA -0.028 4.527 4.556 -0.001 0.000 0.297 223 H C 2.555 177.534 175.328 -0.581 0.000 1.080 223 H CA 1.863 57.477 56.048 -0.722 0.000 1.278 223 H CB -0.507 29.024 29.762 -0.385 0.000 1.365 223 H HN 0.062 nan 8.280 nan 0.000 0.489 224 V N 0.259 119.697 119.914 -0.794 0.000 2.490 224 V HA -0.179 3.940 4.120 -0.001 0.000 0.250 224 V C 2.292 178.150 176.094 -0.394 0.000 1.061 224 V CA 1.899 63.794 62.300 -0.675 0.000 1.064 224 V CB -0.474 30.844 31.823 -0.843 0.000 0.670 224 V HN 0.470 nan 8.190 nan 0.000 0.461 225 L N 0.326 121.315 121.223 -0.391 0.000 2.313 225 L HA -0.042 4.297 4.340 -0.001 0.000 0.214 225 L C 2.528 179.286 176.870 -0.187 0.000 1.119 225 L CA 1.434 56.150 54.840 -0.207 0.000 0.809 225 L CB -0.454 41.505 42.059 -0.167 0.000 0.933 225 L HN 0.538 nan 8.230 nan 0.000 0.449 226 S N -0.368 115.177 115.700 -0.258 0.000 2.496 226 S HA 0.012 4.481 4.470 -0.001 0.000 0.224 226 S C 1.162 175.681 174.600 -0.136 0.000 0.996 226 S CA -0.038 58.077 58.200 -0.140 0.000 0.927 226 S CB -0.009 63.163 63.200 -0.047 0.000 0.774 226 S HN 0.406 nan 8.310 nan 0.000 0.524 227 R N 1.963 122.339 120.500 -0.207 0.000 2.738 227 R HA 0.382 4.721 4.340 -0.001 0.000 0.280 227 R C -3.023 173.197 176.300 -0.133 0.000 1.456 227 R CA -1.614 54.381 56.100 -0.176 0.000 1.612 227 R CB 0.728 30.874 30.300 -0.256 0.000 1.286 227 R HN 0.356 nan 8.270 nan 0.000 0.660 228 P HA -0.010 nan 4.420 nan 0.000 0.274 228 P C 0.417 177.692 177.300 -0.041 0.000 1.246 228 P CA -0.246 62.820 63.100 -0.056 0.000 0.795 228 P CB 0.745 32.421 31.700 -0.039 0.000 1.006 229 E N 0.246 120.432 120.200 -0.024 0.000 2.333 229 E HA -0.230 4.119 4.350 -0.001 0.000 0.198 229 E C 0.780 177.367 176.600 -0.020 0.000 1.007 229 E CA 1.201 57.591 56.400 -0.017 0.000 0.845 229 E CB -0.429 29.266 29.700 -0.007 0.000 0.766 229 E HN 0.318 nan 8.360 nan 0.000 0.507 230 E N 0.547 120.733 120.200 -0.023 0.000 2.268 230 E HA -0.075 4.275 4.350 -0.001 0.000 0.195 230 E C 1.819 178.408 176.600 -0.019 0.000 0.995 230 E CA 0.687 57.074 56.400 -0.022 0.000 0.836 230 E CB 0.156 29.843 29.700 -0.022 0.000 0.763 230 E HN 0.149 nan 8.360 nan 0.000 0.491 231 V N 0.235 120.135 119.914 -0.023 0.000 2.878 231 V HA -0.099 4.020 4.120 -0.001 0.000 0.250 231 V C 2.153 178.236 176.094 -0.019 0.000 1.075 231 V CA 1.188 63.475 62.300 -0.022 0.000 1.096 231 V CB 0.050 31.853 31.823 -0.033 0.000 0.724 231 V HN 0.265 nan 8.190 nan 0.000 0.467 232 E N 0.647 120.833 120.200 -0.023 0.000 2.047 232 E HA -0.189 4.160 4.350 -0.001 0.000 0.191 232 E C 2.220 178.810 176.600 -0.015 0.000 0.987 232 E CA 1.366 57.752 56.400 -0.023 0.000 0.799 232 E CB -0.140 29.544 29.700 -0.026 0.000 0.752 232 E HN 0.533 nan 8.360 nan 0.000 0.449 233 A N 1.447 124.259 122.820 -0.013 0.000 1.972 233 A HA -0.199 4.120 4.320 -0.001 0.000 0.219 233 A C 2.096 179.675 177.584 -0.008 0.000 1.169 233 A CA 1.510 53.541 52.037 -0.009 0.000 0.635 233 A CB -0.475 18.519 19.000 -0.010 0.000 0.810 233 A HN 0.327 nan 8.150 nan 0.000 0.446 234 E N 0.513 120.709 120.200 -0.007 0.000 2.047 234 E HA -0.118 4.231 4.350 -0.001 0.000 0.191 234 E C 2.226 178.827 176.600 0.002 0.000 0.987 234 E CA 1.283 57.681 56.400 -0.004 0.000 0.799 234 E CB -0.374 29.324 29.700 -0.004 0.000 0.752 234 E HN 0.438 nan 8.360 nan 0.000 0.449 235 A N 0.973 123.795 122.820 0.005 0.000 1.877 235 A HA -0.142 4.177 4.320 -0.001 0.000 0.216 235 A C 2.613 180.203 177.584 0.010 0.000 1.186 235 A CA 1.763 53.809 52.037 0.015 0.000 0.620 235 A CB -0.868 18.148 19.000 0.027 0.000 0.822 235 A HN 0.192 nan 8.150 nan 0.000 0.443 236 V N 1.262 121.176 119.914 0.000 0.000 2.252 236 V HA -0.342 3.777 4.120 -0.001 0.000 0.249 236 V C 2.532 178.621 176.094 -0.008 0.000 1.056 236 V CA 2.306 64.601 62.300 -0.007 0.000 1.022 236 V CB -1.060 30.755 31.823 -0.013 0.000 0.641 236 V HN 0.778 nan 8.190 nan 0.000 0.445 237 N N 0.240 118.935 118.700 -0.007 0.000 2.094 237 N HA -0.280 4.459 4.740 -0.001 0.000 0.191 237 N C 2.147 177.654 175.510 -0.004 0.000 1.023 237 N CA 2.214 55.259 53.050 -0.008 0.000 0.857 237 N CB -0.088 38.395 38.487 -0.006 0.000 1.013 237 N HN 0.485 nan 8.380 nan 0.000 0.426 238 R N 0.313 120.815 120.500 0.003 0.000 2.090 238 R HA 0.022 4.361 4.340 -0.001 0.000 0.228 238 R C 2.208 178.515 176.300 0.012 0.000 1.110 238 R CA 1.187 57.294 56.100 0.011 0.000 0.973 238 R CB -0.214 30.096 30.300 0.017 0.000 0.869 238 R HN 0.224 nan 8.270 nan 0.000 0.440 239 A N 1.098 123.923 122.820 0.009 0.000 1.898 239 A HA -0.092 4.227 4.320 -0.001 0.000 0.216 239 A C 2.121 179.700 177.584 -0.009 0.000 1.181 239 A CA 1.250 53.290 52.037 0.004 0.000 0.620 239 A CB -0.464 18.541 19.000 0.008 0.000 0.819 239 A HN 0.352 nan 8.150 nan 0.000 0.442 240 I N -0.215 120.345 120.570 -0.016 0.000 2.208 240 I HA -0.245 3.925 4.170 -0.001 0.000 0.245 240 I C 2.549 178.651 176.117 -0.025 0.000 1.097 240 I CA 1.758 63.039 61.300 -0.031 0.000 1.363 240 I CB -0.660 37.317 38.000 -0.038 0.000 1.051 240 I HN 0.264 nan 8.210 nan 0.000 0.413 241 T N 1.180 115.729 114.554 -0.010 0.000 2.720 241 T HA -0.153 4.196 4.350 -0.001 0.000 0.268 241 T C 1.876 176.584 174.700 0.013 0.000 1.037 241 T CA 1.504 63.606 62.100 0.002 0.000 1.144 241 T CB -0.275 68.601 68.868 0.013 0.000 0.864 241 T HN 0.265 nan 8.240 nan 0.000 0.444 242 I N 1.225 121.806 120.570 0.018 0.000 2.286 242 I HA -0.087 4.082 4.170 -0.001 0.000 0.245 242 I C 2.927 179.016 176.117 -0.047 0.000 1.104 242 I CA 0.937 62.256 61.300 0.032 0.000 1.397 242 I CB -0.479 37.545 38.000 0.040 0.000 1.072 242 I HN 0.168 nan 8.210 nan 0.000 0.417 243 A N 0.864 123.651 122.820 -0.056 0.000 1.978 243 A HA -0.217 4.102 4.320 -0.001 0.000 0.220 243 A C 2.073 179.609 177.584 -0.081 0.000 1.170 243 A CA 1.891 53.880 52.037 -0.081 0.000 0.636 243 A CB -0.611 18.351 19.000 -0.063 0.000 0.810 243 A HN 0.408 nan 8.150 nan 0.000 0.448 244 N N -0.475 118.191 118.700 -0.057 0.000 2.171 244 N HA -0.090 4.650 4.740 -0.001 0.000 0.184 244 N C 1.715 177.202 175.510 -0.038 0.000 1.021 244 N CA 1.087 54.107 53.050 -0.049 0.000 0.854 244 N CB -0.277 38.188 38.487 -0.037 0.000 0.994 244 N HN 0.414 nan 8.380 nan 0.000 0.426 245 Q N -0.245 119.545 119.800 -0.018 0.000 2.291 245 Q HA 0.035 4.375 4.340 -0.001 0.000 0.205 245 Q C 1.296 177.260 176.000 -0.059 0.000 0.970 245 Q CA 0.873 56.684 55.803 0.014 0.000 0.876 245 Q CB -0.361 28.448 28.738 0.119 0.000 0.935 245 Q HN 0.275 nan 8.270 nan 0.000 0.455 246 T N 0.392 114.849 114.554 -0.162 0.000 3.014 246 T HA -0.005 4.344 4.350 -0.001 0.000 0.250 246 T C 0.455 175.071 174.700 -0.140 0.000 1.060 246 T CA 0.221 62.163 62.100 -0.264 0.000 1.040 246 T CB -0.010 68.620 68.868 -0.395 0.000 0.971 246 T HN 0.337 nan 8.240 nan 0.000 0.497 247 N N 0.925 119.567 118.700 -0.097 0.000 2.727 247 N HA -0.169 4.570 4.740 -0.001 0.000 0.249 247 N C -0.617 174.850 175.510 -0.073 0.000 1.048 247 N CA 0.392 53.399 53.050 -0.071 0.000 0.714 247 N CB -2.002 36.462 38.487 -0.038 0.000 0.959 247 N HN 0.441 nan 8.380 nan 0.000 0.544 248 C N 1.249 120.492 119.300 -0.094 0.000 2.355 248 C HA 0.676 5.135 4.460 -0.001 0.000 0.332 248 C C -2.108 172.820 174.990 -0.105 0.000 1.255 248 C CA -1.734 57.234 59.018 -0.083 0.000 1.792 248 C CB 0.629 28.321 27.740 -0.080 0.000 2.300 248 C HN 0.436 nan 8.230 nan 0.000 0.515 249 P HA 0.287 nan 4.420 nan 0.000 0.271 249 P C -1.063 176.236 177.300 -0.000 0.000 1.216 249 P CA -0.095 62.940 63.100 -0.109 0.000 0.771 249 P CB 0.856 32.442 31.700 -0.190 0.000 0.864 250 L N 4.457 125.697 121.223 0.029 0.000 2.346 250 L HA 0.562 4.901 4.340 -0.001 0.000 0.274 250 L C -1.350 175.630 176.870 0.184 0.000 1.007 250 L CA -1.012 53.873 54.840 0.076 0.000 0.818 250 L CB 1.659 43.721 42.059 0.005 0.000 1.284 250 L HN 0.272 nan 8.230 nan 0.000 0.424 251 Y N 5.257 125.597 120.300 0.066 0.000 2.338 251 Y HA 0.581 5.131 4.550 -0.001 0.000 0.333 251 Y C -0.888 175.046 175.900 0.057 0.000 0.968 251 Y CA -1.002 57.159 58.100 0.102 0.000 1.123 251 Y CB 1.184 39.713 38.460 0.114 0.000 1.165 251 Y HN 0.373 nan 8.280 nan 0.000 0.452 252 I N 6.501 127.011 120.570 -0.100 0.000 2.291 252 I HA 0.131 4.300 4.170 -0.001 0.000 0.290 252 I C 0.591 176.669 176.117 -0.065 0.000 1.050 252 I CA -0.349 60.919 61.300 -0.052 0.000 1.245 252 I CB 0.331 38.290 38.000 -0.068 0.000 1.405 252 I HN 0.679 nan 8.210 nan 0.000 0.478 253 T N 3.065 117.692 114.554 0.121 0.000 2.898 253 T HA 0.218 4.567 4.350 -0.001 0.000 0.301 253 T C 0.506 175.268 174.700 0.104 0.000 1.049 253 T CA -0.516 61.716 62.100 0.219 0.000 1.095 253 T CB 0.594 69.619 68.868 0.261 0.000 0.976 253 T HN 0.615 nan 8.240 nan 0.000 0.539 254 K N 0.365 120.853 120.400 0.146 0.000 3.393 254 K HA -0.100 4.220 4.320 -0.001 0.000 0.272 254 K C -0.561 176.053 176.600 0.024 0.000 1.004 254 K CA 0.072 56.398 56.287 0.066 0.000 0.764 254 K CB -1.847 30.671 32.500 0.030 0.000 1.373 254 K HN 0.561 nan 8.250 nan 0.000 0.458 255 V N 2.815 122.747 119.914 0.030 0.000 2.397 255 V HA 0.007 4.127 4.120 -0.001 0.000 0.262 255 V C 1.236 177.363 176.094 0.056 0.000 1.047 255 V CA 0.271 62.586 62.300 0.025 0.000 1.003 255 V CB 0.883 32.714 31.823 0.012 0.000 1.037 255 V HN 0.386 nan 8.190 nan 0.000 0.480 256 M N 3.082 122.716 119.600 0.056 0.000 2.313 256 M HA 0.232 4.711 4.480 -0.001 0.000 0.273 256 M C 0.571 176.926 176.300 0.092 0.000 1.049 256 M CA 0.255 55.605 55.300 0.084 0.000 1.004 256 M CB 0.256 32.906 32.600 0.082 0.000 1.461 256 M HN 0.743 nan 8.290 nan 0.000 0.514 257 S N -1.165 114.583 115.700 0.080 0.000 2.638 257 S HA 0.539 5.009 4.470 -0.001 0.000 0.274 257 S C 0.405 175.059 174.600 0.091 0.000 1.157 257 S CA -0.835 57.408 58.200 0.071 0.000 0.826 257 S CB 2.544 65.765 63.200 0.034 0.000 1.139 257 S HN 0.100 nan 8.310 nan 0.000 0.474 258 K N 0.873 121.293 120.400 0.034 0.000 2.062 258 K HA 0.020 4.340 4.320 -0.001 0.000 0.205 258 K C 2.155 178.750 176.600 -0.008 0.000 1.051 258 K CA 1.478 57.747 56.287 -0.031 0.000 0.941 258 K CB -0.401 31.822 32.500 -0.463 0.000 0.719 258 K HN 0.544 nan 8.250 nan 0.000 0.440 259 S N 1.147 116.823 115.700 -0.040 0.000 2.359 259 S HA -0.181 4.288 4.470 -0.001 0.000 0.224 259 S C 2.194 176.805 174.600 0.017 0.000 1.035 259 S CA 1.945 60.133 58.200 -0.021 0.000 1.018 259 S CB -0.361 62.823 63.200 -0.026 0.000 0.876 259 S HN 0.458 nan 8.310 nan 0.000 0.448 260 S N 2.239 117.954 115.700 0.025 0.000 2.406 260 S HA 0.129 4.598 4.470 -0.001 0.000 0.228 260 S C 2.022 176.647 174.600 0.042 0.000 1.020 260 S CA 0.728 58.941 58.200 0.022 0.000 0.965 260 S CB -0.559 62.648 63.200 0.011 0.000 0.798 260 S HN 0.512 nan 8.310 nan 0.000 0.488 261 A N 1.462 124.337 122.820 0.092 0.000 2.015 261 A HA -0.016 4.304 4.320 -0.001 0.000 0.219 261 A C 2.130 179.784 177.584 0.117 0.000 1.163 261 A CA 1.699 53.806 52.037 0.117 0.000 0.646 261 A CB -0.610 18.522 19.000 0.220 0.000 0.806 261 A HN 0.542 nan 8.150 nan 0.000 0.448 262 E N -0.585 119.703 120.200 0.146 0.000 2.318 262 E HA 0.021 4.370 4.350 -0.001 0.000 0.193 262 E C 1.658 178.286 176.600 0.047 0.000 0.998 262 E CA 0.857 57.332 56.400 0.126 0.000 0.859 262 E CB -0.155 29.627 29.700 0.137 0.000 0.812 262 E HN 0.214 nan 8.360 nan 0.000 0.492 263 V N 0.558 120.487 119.914 0.025 0.000 2.379 263 V HA -0.175 3.944 4.120 -0.001 0.000 0.245 263 V C 2.203 178.285 176.094 -0.019 0.000 1.044 263 V CA 1.509 63.809 62.300 -0.000 0.000 1.036 263 V CB -0.329 31.491 31.823 -0.005 0.000 0.664 263 V HN 0.287 nan 8.190 nan 0.000 0.453 264 I N 0.371 120.926 120.570 -0.024 0.000 2.202 264 I HA -0.183 3.986 4.170 -0.001 0.000 0.242 264 I C 2.716 178.794 176.117 -0.065 0.000 1.091 264 I CA 1.348 62.615 61.300 -0.055 0.000 1.368 264 I CB -0.687 37.278 38.000 -0.059 0.000 1.058 264 I HN 0.258 nan 8.210 nan 0.000 0.410 265 A N 0.430 123.224 122.820 -0.042 0.000 1.884 265 A HA -0.284 4.035 4.320 -0.001 0.000 0.219 265 A C 2.263 179.820 177.584 -0.045 0.000 1.197 265 A CA 1.784 53.794 52.037 -0.046 0.000 0.637 265 A CB -0.645 18.342 19.000 -0.021 0.000 0.827 265 A HN 0.418 nan 8.150 nan 0.000 0.450 266 Q N -0.943 118.841 119.800 -0.027 0.000 2.224 266 Q HA 0.016 4.355 4.340 -0.001 0.000 0.203 266 Q C 2.266 178.241 176.000 -0.042 0.000 0.970 266 Q CA 1.385 57.171 55.803 -0.028 0.000 0.865 266 Q CB -0.611 28.119 28.738 -0.013 0.000 0.922 266 Q HN 0.699 nan 8.270 nan 0.000 0.445 267 A N 0.597 123.385 122.820 -0.053 0.000 1.970 267 A HA -0.072 4.247 4.320 -0.001 0.000 0.216 267 A C 2.120 179.651 177.584 -0.089 0.000 1.170 267 A CA 0.520 52.517 52.037 -0.065 0.000 0.645 267 A CB -0.186 18.774 19.000 -0.067 0.000 0.816 267 A HN 0.175 nan 8.150 nan 0.000 0.447 268 R N 0.339 120.775 120.500 -0.106 0.000 2.081 268 R HA -0.156 4.184 4.340 -0.001 0.000 0.235 268 R C 2.121 178.358 176.300 -0.105 0.000 1.131 268 R CA 1.758 57.778 56.100 -0.133 0.000 0.960 268 R CB -0.303 29.909 30.300 -0.147 0.000 0.856 268 R HN 0.731 nan 8.270 nan 0.000 0.436 269 K N 0.804 121.156 120.400 -0.079 0.000 2.442 269 K HA -0.075 4.244 4.320 -0.001 0.000 0.198 269 K C 1.095 177.661 176.600 -0.058 0.000 1.042 269 K CA 1.284 57.533 56.287 -0.063 0.000 0.958 269 K CB 0.134 32.605 32.500 -0.048 0.000 0.766 269 K HN 0.008 nan 8.250 nan 0.000 0.474 270 K N 0.193 120.557 120.400 -0.061 0.000 2.417 270 K HA 0.128 4.447 4.320 -0.001 0.000 0.196 270 K C 0.621 177.182 176.600 -0.066 0.000 1.023 270 K CA 0.425 56.679 56.287 -0.055 0.000 1.122 270 K CB 0.600 33.071 32.500 -0.047 0.000 0.850 270 K HN 0.504 nan 8.250 nan 0.000 0.521 271 G N 1.160 109.909 108.800 -0.084 0.000 2.213 271 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.236 271 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.236 271 G C 0.359 175.187 174.900 -0.121 0.000 0.991 271 G CA 0.078 45.120 45.100 -0.096 0.000 0.629 271 G HN 0.297 nan 8.290 nan 0.000 0.517 272 T N 1.325 115.806 114.554 -0.121 0.000 2.923 272 T HA 0.310 4.659 4.350 -0.001 0.000 0.304 272 T C 0.825 175.400 174.700 -0.208 0.000 1.044 272 T CA 0.523 62.538 62.100 -0.142 0.000 1.141 272 T CB 1.769 70.561 68.868 -0.127 0.000 1.023 272 T HN 0.615 nan 8.240 nan 0.000 0.533 273 V N 5.275 125.060 119.914 -0.215 0.000 2.313 273 V HA 0.370 4.489 4.120 -0.001 0.000 0.252 273 V C 0.192 176.094 176.094 -0.320 0.000 1.112 273 V CA -0.121 62.001 62.300 -0.297 0.000 0.984 273 V CB 0.309 31.997 31.823 -0.224 0.000 1.157 273 V HN 0.661 nan 8.190 nan 0.000 0.493 274 V N 6.497 126.114 119.914 -0.496 0.000 2.777 274 V HA 0.607 4.727 4.120 -0.001 0.000 0.306 274 V C -1.721 174.005 176.094 -0.613 0.000 1.112 274 V CA -0.508 61.564 62.300 -0.380 0.000 0.917 274 V CB 2.419 34.116 31.823 -0.210 0.000 1.018 274 V HN 0.672 nan 8.190 nan 0.000 0.426 275 Y N 3.729 123.949 120.300 -0.134 0.000 2.393 275 Y HA 0.817 5.366 4.550 -0.001 0.000 0.341 275 Y C 0.753 176.466 175.900 -0.310 0.000 0.988 275 Y CA -0.192 57.791 58.100 -0.195 0.000 1.078 275 Y CB 2.427 40.787 38.460 -0.165 0.000 1.203 275 Y HN 0.775 nan 8.280 nan 0.000 0.453 276 G N 1.041 109.757 108.800 -0.141 0.000 2.432 276 G HA2 0.495 4.454 3.960 -0.001 0.000 0.331 276 G HA3 0.495 4.454 3.960 -0.001 0.000 0.331 276 G C -1.341 173.434 174.900 -0.208 0.000 1.170 276 G CA -0.714 44.269 45.100 -0.195 0.000 0.943 276 G HN 0.586 nan 8.290 nan 0.000 0.483 277 E N 2.367 122.449 120.200 -0.197 0.000 2.593 277 E HA 0.279 4.628 4.350 -0.001 0.000 0.232 277 E C -2.506 174.112 176.600 0.030 0.000 1.026 277 E CA -1.983 54.381 56.400 -0.060 0.000 0.772 277 E CB 2.023 31.721 29.700 -0.003 0.000 1.310 277 E HN 0.260 nan 8.360 nan 0.000 0.413 278 P HA 0.119 nan 4.420 nan 0.000 0.272 278 P C 0.025 177.379 177.300 0.090 0.000 1.223 278 P CA -0.013 63.125 63.100 0.064 0.000 0.784 278 P CB 0.949 32.684 31.700 0.058 0.000 0.923 279 I N -2.375 118.254 120.570 0.100 0.000 3.023 279 I HA 0.430 4.600 4.170 -0.001 0.000 0.312 279 I C 1.241 177.442 176.117 0.140 0.000 1.056 279 I CA -0.849 60.517 61.300 0.110 0.000 1.033 279 I CB 0.804 38.848 38.000 0.073 0.000 1.233 279 I HN 0.080 nan 8.210 nan 0.000 0.462 280 T N 1.743 116.396 114.554 0.166 0.000 2.699 280 T HA -0.226 4.123 4.350 -0.001 0.000 0.268 280 T C 1.881 176.797 174.700 0.360 0.000 1.036 280 T CA 2.247 64.471 62.100 0.205 0.000 1.147 280 T CB -0.505 68.503 68.868 0.234 0.000 0.862 280 T HN 0.763 nan 8.240 nan 0.000 0.446 281 A N 2.002 125.052 122.820 0.383 0.000 1.865 281 A HA -0.152 4.167 4.320 -0.001 0.000 0.217 281 A C 2.610 180.367 177.584 0.289 0.000 1.191 281 A CA 2.478 54.720 52.037 0.341 0.000 0.623 281 A CB -1.032 18.042 19.000 0.122 0.000 0.826 281 A HN 0.641 nan 8.150 nan 0.000 0.444 282 S N -0.692 115.134 115.700 0.209 0.000 2.453 282 S HA 0.062 4.531 4.470 -0.001 0.000 0.231 282 S C 1.654 176.356 174.600 0.171 0.000 1.005 282 S CA 1.242 59.550 58.200 0.180 0.000 0.949 282 S CB -0.413 62.872 63.200 0.142 0.000 0.774 282 S HN 0.415 nan 8.310 nan 0.000 0.510 283 L N 0.293 121.615 121.223 0.165 0.000 2.416 283 L HA 0.337 4.676 4.340 -0.001 0.000 0.216 283 L C 2.356 179.300 176.870 0.124 0.000 1.098 283 L CA 0.783 55.699 54.840 0.126 0.000 0.840 283 L CB -0.118 41.998 42.059 0.096 0.000 0.981 283 L HN 0.546 nan 8.230 nan 0.000 0.462 284 G N -2.140 106.766 108.800 0.177 0.000 3.104 284 G HA2 0.183 4.142 3.960 -0.001 0.000 0.237 284 G HA3 0.183 4.142 3.960 -0.001 0.000 0.237 284 G C 0.316 175.406 174.900 0.316 0.000 1.035 284 G CA 0.371 45.570 45.100 0.166 0.000 0.844 284 G HN 0.139 nan 8.290 nan 0.000 0.531 285 T N -0.269 114.500 114.554 0.359 0.000 2.626 285 T HA 0.508 4.858 4.350 -0.001 0.000 0.299 285 T C -2.033 172.838 174.700 0.285 0.000 1.181 285 T CA 0.135 62.445 62.100 0.351 0.000 1.053 285 T CB 1.879 71.014 68.868 0.446 0.000 1.566 285 T HN 0.259 nan 8.240 nan 0.000 0.486 286 D N -1.623 118.950 120.400 0.289 0.000 2.652 286 D HA 0.528 5.167 4.640 -0.001 0.000 0.285 286 D C 0.498 176.879 176.300 0.135 0.000 1.173 286 D CA -0.322 53.794 54.000 0.192 0.000 0.981 286 D CB 0.570 41.440 40.800 0.116 0.000 1.440 286 D HN 0.731 nan 8.370 nan 0.000 0.485 287 G N -1.161 107.701 108.800 0.103 0.000 3.371 287 G HA2 0.142 4.101 3.960 -0.001 0.000 0.248 287 G HA3 0.142 4.101 3.960 -0.001 0.000 0.248 287 G C 1.016 175.975 174.900 0.099 0.000 1.161 287 G CA 0.366 45.497 45.100 0.052 0.000 0.796 287 G HN 0.512 nan 8.290 nan 0.000 0.539 288 S N 0.410 116.053 115.700 -0.094 0.000 2.387 288 S HA -0.229 4.240 4.470 -0.001 0.000 0.230 288 S C 1.826 176.316 174.600 -0.183 0.000 1.035 288 S CA 1.109 59.210 58.200 -0.165 0.000 1.014 288 S CB -0.626 62.331 63.200 -0.405 0.000 0.836 288 S HN 0.516 nan 8.310 nan 0.000 0.466 289 H N -0.297 118.544 119.070 -0.381 0.000 2.563 289 H HA 0.071 4.626 4.556 -0.001 0.000 0.272 289 H C 1.176 176.126 175.328 -0.630 0.000 1.005 289 H CA 0.954 56.603 56.048 -0.665 0.000 1.171 289 H CB -0.391 28.483 29.762 -1.480 0.000 1.351 289 H HN 0.550 nan 8.280 nan 0.000 0.602 290 Y N -0.864 119.276 120.300 -0.268 0.000 2.421 290 Y HA -0.154 4.395 4.550 -0.002 0.000 0.292 290 Y C 1.850 177.502 175.900 -0.413 0.000 1.136 290 Y CA 0.439 58.302 58.100 -0.396 0.000 1.255 290 Y CB -0.125 37.978 38.460 -0.593 0.000 0.991 290 Y HN 0.286 nan 8.280 nan 0.000 0.552 291 W N 0.156 121.426 121.300 -0.051 0.000 3.391 291 W HA 0.247 4.906 4.660 -0.001 0.000 0.372 291 W C 0.830 177.313 176.519 -0.060 0.000 1.171 291 W CA -0.144 57.172 57.345 -0.049 0.000 1.862 291 W CB -0.131 29.297 29.460 -0.054 0.000 1.048 291 W HN -0.146 nan 8.180 nan 0.000 0.726 292 S N 1.302 117.041 115.700 0.065 0.000 2.560 292 S HA 0.013 4.482 4.470 -0.001 0.000 0.284 292 S C 1.566 176.201 174.600 0.057 0.000 1.327 292 S CA 0.114 58.340 58.200 0.043 0.000 1.055 292 S CB 1.196 64.389 63.200 -0.011 0.000 0.868 292 S HN 0.065 nan 8.310 nan 0.000 0.506 293 K N 2.354 122.800 120.400 0.076 0.000 2.097 293 K HA -0.060 4.260 4.320 -0.001 0.000 0.205 293 K C 0.564 177.226 176.600 0.102 0.000 1.050 293 K CA 0.597 56.938 56.287 0.089 0.000 0.938 293 K CB -0.478 32.072 32.500 0.083 0.000 0.718 293 K HN 0.635 nan 8.250 nan 0.000 0.442 294 N N 0.793 119.544 118.700 0.085 0.000 2.402 294 N HA -0.084 4.655 4.740 -0.001 0.000 0.259 294 N C 0.500 176.053 175.510 0.071 0.000 1.167 294 N CA -0.042 53.066 53.050 0.097 0.000 0.949 294 N CB -0.060 38.478 38.487 0.085 0.000 1.212 294 N HN 0.135 nan 8.380 nan 0.000 0.493 295 W N 4.496 125.781 121.300 -0.026 0.000 2.321 295 W HA -0.260 4.400 4.660 -0.001 0.000 0.306 295 W C 1.755 178.221 176.519 -0.088 0.000 1.217 295 W CA 2.109 59.432 57.345 -0.037 0.000 1.257 295 W CB -0.068 29.383 29.460 -0.015 0.000 1.145 295 W HN 0.677 nan 8.180 nan 0.000 0.509 296 A N 0.101 123.036 122.820 0.192 0.000 1.933 296 A HA -0.212 4.108 4.320 -0.001 0.000 0.218 296 A C 2.013 179.220 177.584 -0.627 0.000 1.175 296 A CA 1.913 53.900 52.037 -0.083 0.000 0.628 296 A CB -0.897 18.115 19.000 0.021 0.000 0.814 296 A HN 0.396 nan 8.150 nan 0.000 0.444 297 K N -0.274 119.733 120.400 -0.654 0.000 1.985 297 K HA -0.088 4.231 4.320 -0.001 0.000 0.210 297 K C 2.244 178.719 176.600 -0.209 0.000 1.047 297 K CA 1.246 57.215 56.287 -0.531 0.000 0.932 297 K CB -0.402 31.972 32.500 -0.210 0.000 0.716 297 K HN 0.322 nan 8.250 nan 0.000 0.439 298 A N 1.204 123.871 122.820 -0.256 0.000 1.903 298 A HA -0.214 4.105 4.320 -0.001 0.000 0.219 298 A C 2.350 179.779 177.584 -0.259 0.000 1.191 298 A CA 2.363 54.241 52.037 -0.265 0.000 0.638 298 A CB -1.015 17.791 19.000 -0.323 0.000 0.823 298 A HN 0.547 nan 8.150 nan 0.000 0.451 299 A N -0.456 122.015 122.820 -0.582 0.000 1.972 299 A HA 0.200 4.520 4.320 -0.001 0.000 0.219 299 A C 2.443 179.867 177.584 -0.267 0.000 1.169 299 A CA 1.874 53.548 52.037 -0.605 0.000 0.635 299 A CB -0.947 17.312 19.000 -1.236 0.000 0.810 299 A HN 1.201 nan 8.150 nan 0.000 0.446 300 A N -1.316 121.369 122.820 -0.224 0.000 2.032 300 A HA -0.065 4.255 4.320 -0.001 0.000 0.221 300 A C 1.728 179.189 177.584 -0.206 0.000 1.165 300 A CA 1.498 53.431 52.037 -0.175 0.000 0.645 300 A CB -0.696 18.171 19.000 -0.222 0.000 0.807 300 A HN 0.496 nan 8.150 nan 0.000 0.453 301 F N -0.674 119.140 119.950 -0.227 0.000 2.743 301 F HA 0.127 4.653 4.527 -0.001 0.000 0.297 301 F C 0.781 176.602 175.800 0.035 0.000 1.131 301 F CA -0.003 57.863 58.000 -0.224 0.000 1.426 301 F CB 0.113 38.767 39.000 -0.576 0.000 1.116 301 F HN -0.156 nan 8.300 nan 0.000 0.583 302 V N 1.154 121.193 119.914 0.209 0.000 2.403 302 V HA 0.175 4.294 4.120 -0.001 0.000 0.265 302 V C 0.417 176.539 176.094 0.046 0.000 1.034 302 V CA 0.319 62.690 62.300 0.119 0.000 1.036 302 V CB 0.020 31.737 31.823 -0.177 0.000 1.032 302 V HN 0.199 nan 8.190 nan 0.000 0.478 303 T N 3.661 118.330 114.554 0.192 0.000 2.864 303 T HA 0.581 4.930 4.350 -0.001 0.000 0.299 303 T C -0.736 174.212 174.700 0.413 0.000 1.166 303 T CA -0.393 61.846 62.100 0.232 0.000 1.007 303 T CB 2.069 71.045 68.868 0.181 0.000 1.219 303 T HN 0.506 nan 8.240 nan 0.000 0.506 304 S N 3.346 119.294 115.700 0.414 0.000 2.561 304 S HA 0.632 5.102 4.470 -0.001 0.000 0.303 304 S C -2.739 172.081 174.600 0.366 0.000 1.110 304 S CA -0.953 57.508 58.200 0.435 0.000 1.034 304 S CB 1.724 65.255 63.200 0.552 0.000 1.010 304 S HN 0.585 nan 8.310 nan 0.000 0.482 305 P HA 0.246 nan 4.420 nan 0.000 0.272 305 P C -2.499 174.893 177.300 0.155 0.000 1.223 305 P CA -1.159 61.994 63.100 0.089 0.000 0.784 305 P CB -0.223 31.468 31.700 -0.016 0.000 0.923 306 P HA 0.056 nan 4.420 nan 0.000 0.274 306 P C -0.319 177.146 177.300 0.274 0.000 1.246 306 P CA -0.137 63.114 63.100 0.251 0.000 0.795 306 P CB 0.380 32.118 31.700 0.063 0.000 1.006 307 L N 0.931 122.402 121.223 0.414 0.000 2.540 307 L HA 0.008 4.347 4.340 -0.001 0.000 0.276 307 L C 1.288 178.351 176.870 0.321 0.000 1.212 307 L CA 0.791 55.830 54.840 0.332 0.000 0.893 307 L CB -0.651 41.595 42.059 0.312 0.000 1.138 307 L HN 0.487 nan 8.230 nan 0.000 0.491 308 S N 5.495 121.321 115.700 0.210 0.000 2.510 308 S HA 0.190 4.659 4.470 -0.001 0.000 0.279 308 S C -1.355 173.348 174.600 0.172 0.000 1.284 308 S CA -1.047 57.252 58.200 0.165 0.000 1.059 308 S CB 0.784 64.045 63.200 0.102 0.000 0.901 308 S HN 0.414 nan 8.310 nan 0.000 0.491 309 P HA -0.036 nan 4.420 nan 0.000 0.228 309 P C -0.132 177.190 177.300 0.037 0.000 1.151 309 P CA 0.557 63.747 63.100 0.151 0.000 0.770 309 P CB -0.024 31.792 31.700 0.193 0.000 0.786 310 D N 0.608 121.027 120.400 0.033 0.000 2.342 310 D HA 0.004 4.643 4.640 -0.001 0.000 0.260 310 D C -1.253 175.057 176.300 0.018 0.000 1.278 310 D CA -2.079 51.920 54.000 -0.000 0.000 0.910 310 D CB 0.583 41.374 40.800 -0.016 0.000 1.079 310 D HN 0.143 nan 8.370 nan 0.000 0.496 311 P HA -0.079 nan 4.420 nan 0.000 0.234 311 P C 0.905 178.228 177.300 0.038 0.000 1.167 311 P CA 0.732 63.844 63.100 0.021 0.000 0.763 311 P CB -0.069 31.628 31.700 -0.004 0.000 0.835 312 T N -5.217 109.352 114.554 0.025 0.000 3.129 312 T HA 0.062 4.412 4.350 -0.001 0.000 0.251 312 T C 1.402 176.150 174.700 0.080 0.000 1.117 312 T CA 0.475 62.600 62.100 0.043 0.000 1.034 312 T CB -1.126 67.749 68.868 0.013 0.000 0.968 312 T HN -0.043 nan 8.240 nan 0.000 0.526 313 T N 3.043 117.646 114.554 0.081 0.000 2.701 313 T HA -0.002 4.347 4.350 -0.001 0.000 0.263 313 T C -0.620 174.185 174.700 0.177 0.000 1.040 313 T CA 1.290 63.463 62.100 0.123 0.000 1.147 313 T CB -1.340 67.590 68.868 0.103 0.000 0.865 313 T HN 0.374 nan 8.240 nan 0.000 0.426 314 P HA -0.128 nan 4.420 nan 0.000 0.215 314 P C 1.117 178.490 177.300 0.123 0.000 1.157 314 P CA 1.489 64.671 63.100 0.137 0.000 0.874 314 P CB -0.186 31.593 31.700 0.131 0.000 0.790 315 D N -1.831 118.643 120.400 0.123 0.000 2.144 315 D HA -0.204 4.435 4.640 -0.001 0.000 0.199 315 D C 1.706 178.082 176.300 0.126 0.000 0.984 315 D CA 0.796 54.858 54.000 0.103 0.000 0.834 315 D CB -0.652 40.206 40.800 0.097 0.000 0.955 315 D HN 0.029 nan 8.370 nan 0.000 0.465 316 F N 0.548 120.510 119.950 0.019 0.000 2.128 316 F HA 0.068 4.594 4.527 -0.002 0.000 0.295 316 F C 1.852 177.660 175.800 0.014 0.000 1.100 316 F CA 1.048 59.056 58.000 0.013 0.000 1.260 316 F CB -0.131 38.876 39.000 0.013 0.000 1.009 316 F HN -0.025 nan 8.300 nan 0.000 0.476 317 L N 0.058 121.356 121.223 0.125 0.000 2.201 317 L HA -0.211 4.128 4.340 -0.001 0.000 0.212 317 L C 2.112 178.960 176.870 -0.036 0.000 1.105 317 L CA 0.932 55.789 54.840 0.027 0.000 0.775 317 L CB -0.803 41.321 42.059 0.108 0.000 0.913 317 L HN 0.213 nan 8.230 nan 0.000 0.440 318 N N -0.548 118.143 118.700 -0.014 0.000 2.250 318 N HA -0.095 4.644 4.740 -0.001 0.000 0.181 318 N C 2.029 177.495 175.510 -0.073 0.000 1.017 318 N CA 1.133 54.169 53.050 -0.024 0.000 0.866 318 N CB 0.091 38.579 38.487 0.002 0.000 0.985 318 N HN 0.188 nan 8.380 nan 0.000 0.429 319 S N 1.350 116.980 115.700 -0.117 0.000 2.353 319 S HA -0.069 4.400 4.470 -0.001 0.000 0.222 319 S C 1.976 176.449 174.600 -0.211 0.000 1.035 319 S CA 0.889 58.990 58.200 -0.165 0.000 1.025 319 S CB -0.193 62.879 63.200 -0.212 0.000 0.902 319 S HN 0.126 nan 8.310 nan 0.000 0.440 320 L N 0.869 121.904 121.223 -0.314 0.000 2.201 320 L HA 0.049 4.388 4.340 -0.001 0.000 0.212 320 L C 2.033 178.820 176.870 -0.138 0.000 1.105 320 L CA 0.854 55.537 54.840 -0.262 0.000 0.775 320 L CB -0.736 41.119 42.059 -0.340 0.000 0.913 320 L HN 0.238 nan 8.230 nan 0.000 0.440 321 L N -1.282 119.881 121.223 -0.100 0.000 2.131 321 L HA -0.171 4.169 4.340 -0.001 0.000 0.210 321 L C 2.362 179.205 176.870 -0.045 0.000 1.092 321 L CA 1.548 56.358 54.840 -0.050 0.000 0.759 321 L CB -0.444 41.602 42.059 -0.022 0.000 0.903 321 L HN 0.200 nan 8.230 nan 0.000 0.435 322 S N -2.005 113.657 115.700 -0.063 0.000 2.470 322 S HA -0.082 4.387 4.470 -0.001 0.000 0.225 322 S C 1.645 176.214 174.600 -0.052 0.000 1.006 322 S CA 0.776 58.944 58.200 -0.053 0.000 0.934 322 S CB -0.410 62.752 63.200 -0.063 0.000 0.778 322 S HN 0.753 nan 8.310 nan 0.000 0.517 323 C N 0.238 119.498 119.300 -0.067 0.000 2.974 323 C HA 0.738 5.198 4.460 -0.001 0.000 0.282 323 C C 1.679 176.639 174.990 -0.051 0.000 1.292 323 C CA -0.274 58.708 59.018 -0.059 0.000 1.710 323 C CB -0.674 27.022 27.740 -0.073 0.000 2.036 323 C HN 0.557 nan 8.230 nan 0.000 0.629 324 G N 0.940 109.713 108.800 -0.045 0.000 2.176 324 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.232 324 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.232 324 G C 0.371 175.246 174.900 -0.042 0.000 0.986 324 G CA 0.527 45.610 45.100 -0.028 0.000 0.643 324 G HN 0.487 nan 8.290 nan 0.000 0.522 325 D N -0.089 120.272 120.400 -0.065 0.000 2.213 325 D HA 0.144 4.784 4.640 -0.001 0.000 0.205 325 D C 1.290 177.549 176.300 -0.068 0.000 0.961 325 D CA 0.675 54.628 54.000 -0.078 0.000 0.853 325 D CB 0.390 41.134 40.800 -0.093 0.000 0.967 325 D HN 0.433 nan 8.370 nan 0.000 0.496 326 L N 0.929 122.121 121.223 -0.053 0.000 2.341 326 L HA 0.246 4.585 4.340 -0.001 0.000 0.278 326 L C 0.563 177.435 176.870 0.004 0.000 1.005 326 L CA -0.435 54.387 54.840 -0.030 0.000 0.818 326 L CB 2.137 44.176 42.059 -0.034 0.000 1.259 326 L HN -0.322 nan 8.230 nan 0.000 0.418 327 Q N 1.390 121.217 119.800 0.044 0.000 2.477 327 Q HA 0.164 4.503 4.340 -0.001 0.000 0.252 327 Q C 0.090 176.128 176.000 0.063 0.000 0.869 327 Q CA 0.220 56.076 55.803 0.088 0.000 0.969 327 Q CB 0.666 29.540 28.738 0.226 0.000 1.144 327 Q HN 0.577 nan 8.270 nan 0.000 0.577 328 V N -1.371 118.582 119.914 0.065 0.000 3.019 328 V HA 0.962 5.081 4.120 -0.001 0.000 0.317 328 V C -0.451 175.693 176.094 0.084 0.000 1.094 328 V CA -0.497 61.856 62.300 0.088 0.000 1.000 328 V CB 1.832 33.765 31.823 0.184 0.000 1.060 328 V HN 0.231 nan 8.190 nan 0.000 0.443 329 T N -0.749 113.867 114.554 0.103 0.000 2.952 329 T HA 0.894 5.243 4.350 -0.001 0.000 0.305 329 T C -0.161 174.625 174.700 0.144 0.000 1.064 329 T CA 0.064 62.226 62.100 0.105 0.000 1.008 329 T CB 1.239 70.144 68.868 0.062 0.000 1.078 329 T HN 1.687 nan 8.240 nan 0.000 0.459 330 G N 0.193 109.096 108.800 0.170 0.000 2.975 330 G HA2 0.600 4.560 3.960 -0.001 0.000 0.291 330 G HA3 0.600 4.560 3.960 -0.001 0.000 0.291 330 G C 0.417 175.406 174.900 0.148 0.000 1.334 330 G CA -0.179 45.033 45.100 0.187 0.000 0.843 330 G HN 1.158 nan 8.290 nan 0.000 0.548 331 S N -2.054 113.726 115.700 0.134 0.000 2.514 331 S HA 0.404 4.873 4.470 -0.001 0.000 0.223 331 S C 1.762 176.357 174.600 -0.009 0.000 1.046 331 S CA 1.449 59.716 58.200 0.112 0.000 0.914 331 S CB 0.221 63.535 63.200 0.190 0.000 0.807 331 S HN 2.487 nan 8.310 nan 0.000 0.497 332 A N 1.053 123.753 122.820 -0.200 0.000 2.799 332 A HA -0.288 4.031 4.320 -0.001 0.000 0.287 332 A C 0.295 177.800 177.584 -0.132 0.000 1.484 332 A CA 1.249 53.001 52.037 -0.476 0.000 0.813 332 A CB -3.038 15.633 19.000 -0.548 0.000 1.009 332 A HN 0.972 nan 8.150 nan 0.000 0.545 333 H N -1.040 117.964 119.070 -0.110 0.000 3.184 333 H HA 0.308 4.863 4.556 -0.001 0.000 0.274 333 H C 0.299 175.578 175.328 -0.081 0.000 0.962 333 H CA 1.535 57.556 56.048 -0.045 0.000 1.441 333 H CB 0.175 29.978 29.762 0.068 0.000 1.518 333 H HN 0.801 nan 8.280 nan 0.000 0.539 334 C N 6.700 125.881 119.300 -0.197 0.000 3.384 334 C HA 0.271 4.730 4.460 -0.001 0.000 0.294 334 C C -0.108 174.688 174.990 -0.324 0.000 1.062 334 C CA -0.058 58.871 59.018 -0.149 0.000 1.325 334 C CB -1.387 26.355 27.740 0.005 0.000 1.793 334 C HN 1.000 nan 8.230 nan 0.000 0.563 335 T N 0.464 114.741 114.554 -0.462 0.000 2.934 335 T HA 0.803 5.152 4.350 -0.001 0.000 0.283 335 T C -0.780 173.497 174.700 -0.704 0.000 1.005 335 T CA -0.359 61.472 62.100 -0.448 0.000 1.041 335 T CB 1.396 70.065 68.868 -0.331 0.000 1.042 335 T HN 0.432 nan 8.240 nan 0.000 0.505 336 F N 1.956 121.878 119.950 -0.047 0.000 2.653 336 F HA 0.323 4.849 4.527 -0.002 0.000 0.327 336 F C 0.320 176.127 175.800 0.011 0.000 1.195 336 F CA -1.204 56.789 58.000 -0.013 0.000 0.993 336 F CB 1.637 40.632 39.000 -0.008 0.000 1.259 336 F HN 0.777 nan 8.300 nan 0.000 0.478 337 N N 0.094 118.896 118.700 0.171 0.000 2.235 337 N HA 0.070 4.809 4.740 -0.001 0.000 0.231 337 N C 0.737 176.361 175.510 0.190 0.000 1.330 337 N CA -0.002 53.139 53.050 0.152 0.000 0.898 337 N CB 0.075 38.626 38.487 0.107 0.000 1.151 337 N HN 0.508 nan 8.380 nan 0.000 0.472 338 T N -1.306 113.366 114.554 0.197 0.000 2.985 338 T HA 0.043 4.392 4.350 -0.001 0.000 0.266 338 T C 1.768 176.584 174.700 0.193 0.000 1.076 338 T CA 1.009 63.245 62.100 0.227 0.000 1.135 338 T CB -0.534 68.499 68.868 0.275 0.000 0.890 338 T HN 0.661 nan 8.240 nan 0.000 0.480 339 A N 1.981 124.887 122.820 0.142 0.000 1.877 339 A HA -0.202 4.117 4.320 -0.001 0.000 0.216 339 A C 2.313 179.957 177.584 0.100 0.000 1.186 339 A CA 1.574 53.670 52.037 0.100 0.000 0.620 339 A CB -0.665 18.380 19.000 0.075 0.000 0.822 339 A HN 0.533 nan 8.150 nan 0.000 0.443 340 Q N -0.508 119.367 119.800 0.124 0.000 2.050 340 Q HA -0.152 4.187 4.340 -0.001 0.000 0.202 340 Q C 2.096 178.149 176.000 0.088 0.000 0.980 340 Q CA 1.370 57.239 55.803 0.109 0.000 0.840 340 Q CB -0.178 28.682 28.738 0.203 0.000 0.898 340 Q HN 0.390 nan 8.270 nan 0.000 0.424 341 K N 0.928 121.421 120.400 0.154 0.000 2.020 341 K HA -0.132 4.187 4.320 -0.001 0.000 0.212 341 K C 2.038 178.846 176.600 0.346 0.000 1.050 341 K CA 1.472 57.869 56.287 0.183 0.000 0.929 341 K CB -0.736 31.871 32.500 0.179 0.000 0.714 341 K HN 0.226 nan 8.250 nan 0.000 0.443 342 A N 1.289 124.320 122.820 0.352 0.000 2.234 342 A HA -0.099 4.220 4.320 -0.001 0.000 0.216 342 A C 2.310 179.892 177.584 -0.002 0.000 1.167 342 A CA 1.123 53.222 52.037 0.105 0.000 0.698 342 A CB -0.699 18.275 19.000 -0.044 0.000 0.779 342 A HN 0.079 nan 8.150 nan 0.000 0.475 343 V N -0.573 119.366 119.914 0.043 0.000 2.453 343 V HA -0.206 3.914 4.120 -0.001 0.000 0.252 343 V C 2.034 178.127 176.094 -0.001 0.000 1.068 343 V CA 1.875 64.173 62.300 -0.003 0.000 1.070 343 V CB -0.718 31.095 31.823 -0.017 0.000 0.664 343 V HN 0.661 nan 8.190 nan 0.000 0.461 344 G N 0.029 108.876 108.800 0.078 0.000 4.291 344 G HA2 0.182 4.141 3.960 -0.001 0.000 0.304 344 G HA3 0.182 4.141 3.960 -0.001 0.000 0.304 344 G C 1.076 176.105 174.900 0.215 0.000 1.264 344 G CA 0.057 45.221 45.100 0.108 0.000 1.039 344 G HN 0.589 nan 8.290 nan 0.000 0.578 345 K N -0.533 119.828 120.400 -0.065 0.000 2.155 345 K HA -0.006 4.313 4.320 -0.001 0.000 0.203 345 K C 0.305 176.804 176.600 -0.167 0.000 1.052 345 K CA 0.968 56.990 56.287 -0.441 0.000 0.948 345 K CB 0.184 32.066 32.500 -1.031 0.000 0.728 345 K HN 0.072 nan 8.250 nan 0.000 0.448 346 D N 0.750 121.096 120.400 -0.091 0.000 2.342 346 D HA 0.044 4.683 4.640 -0.001 0.000 0.221 346 D C -0.445 175.863 176.300 0.013 0.000 1.101 346 D CA 0.129 54.112 54.000 -0.027 0.000 0.837 346 D CB 0.102 40.870 40.800 -0.053 0.000 0.938 346 D HN 0.168 nan 8.370 nan 0.000 0.508 347 N N 0.796 119.519 118.700 0.038 0.000 2.875 347 N HA -0.054 4.685 4.740 -0.001 0.000 0.253 347 N C 0.433 175.914 175.510 -0.049 0.000 1.296 347 N CA -0.476 52.539 53.050 -0.058 0.000 0.816 347 N CB 0.132 38.545 38.487 -0.124 0.000 1.504 347 N HN -0.116 nan 8.380 nan 0.000 0.582 348 F N 1.972 121.971 119.950 0.082 0.000 2.192 348 F HA -0.107 4.419 4.527 -0.001 0.000 0.301 348 F C 2.042 177.864 175.800 0.036 0.000 1.079 348 F CA 1.615 59.651 58.000 0.060 0.000 1.303 348 F CB -1.265 37.752 39.000 0.029 0.000 1.024 348 F HN 0.372 nan 8.300 nan 0.000 0.494 349 T N -1.080 113.128 114.554 -0.577 0.000 2.946 349 T HA -0.101 4.248 4.350 -0.001 0.000 0.271 349 T C 1.587 176.226 174.700 -0.102 0.000 1.104 349 T CA 1.541 63.476 62.100 -0.275 0.000 1.114 349 T CB -0.833 67.800 68.868 -0.392 0.000 0.867 349 T HN 0.541 nan 8.240 nan 0.000 0.513 350 L N -0.232 120.933 121.223 -0.096 0.000 2.585 350 L HA 0.424 4.763 4.340 -0.001 0.000 0.226 350 L C 0.637 177.479 176.870 -0.048 0.000 1.113 350 L CA -0.265 54.536 54.840 -0.065 0.000 0.876 350 L CB -0.214 41.809 42.059 -0.060 0.000 1.072 350 L HN 0.229 nan 8.230 nan 0.000 0.468 351 I N 3.102 123.665 120.570 -0.012 0.000 2.587 351 I HA 0.041 4.210 4.170 -0.001 0.000 0.284 351 I C -1.762 174.263 176.117 -0.153 0.000 1.134 351 I CA -1.604 59.674 61.300 -0.036 0.000 1.410 351 I CB 0.254 38.238 38.000 -0.027 0.000 1.392 351 I HN -0.151 nan 8.210 nan 0.000 0.545 352 P HA 0.060 nan 4.420 nan 0.000 0.267 352 P C -0.864 176.228 177.300 -0.346 0.000 1.205 352 P CA -0.087 62.704 63.100 -0.514 0.000 0.765 352 P CB 0.455 31.453 31.700 -1.170 0.000 0.828 353 E N 1.349 121.450 120.200 -0.165 0.000 2.229 353 E HA 0.583 4.932 4.350 -0.001 0.000 0.283 353 E C 0.401 177.127 176.600 0.211 0.000 1.030 353 E CA -0.169 56.252 56.400 0.035 0.000 0.836 353 E CB 0.668 30.460 29.700 0.153 0.000 1.068 353 E HN 0.688 nan 8.360 nan 0.000 0.401 354 G N 1.402 110.323 108.800 0.201 0.000 2.351 354 G HA2 0.252 4.211 3.960 -0.001 0.000 0.296 354 G HA3 0.252 4.211 3.960 -0.001 0.000 0.296 354 G C -0.969 173.967 174.900 0.060 0.000 1.685 354 G CA -0.684 44.532 45.100 0.193 0.000 0.936 354 G HN 0.398 nan 8.290 nan 0.000 0.714 355 T N 0.036 114.551 114.554 -0.066 0.000 2.858 355 T HA 0.678 5.027 4.350 -0.001 0.000 0.285 355 T C 0.388 174.890 174.700 -0.331 0.000 1.052 355 T CA -0.355 61.627 62.100 -0.197 0.000 1.009 355 T CB 1.152 69.881 68.868 -0.232 0.000 1.241 355 T HN 0.952 nan 8.240 nan 0.000 0.542 356 N N -0.186 118.292 118.700 -0.370 0.000 2.379 356 N HA 0.479 5.219 4.740 -0.001 0.000 0.260 356 N C 0.631 176.118 175.510 -0.040 0.000 1.254 356 N CA 0.192 53.009 53.050 -0.388 0.000 0.958 356 N CB 1.062 39.429 38.487 -0.199 0.000 1.208 356 N HN 0.958 nan 8.380 nan 0.000 0.532 357 G N -2.189 106.791 108.800 0.301 0.000 3.859 357 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.220 357 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.220 357 G C 0.756 175.869 174.900 0.355 0.000 0.892 357 G CA 0.419 45.763 45.100 0.406 0.000 0.858 357 G HN 0.685 nan 8.290 nan 0.000 0.625 358 T N 0.199 115.000 114.554 0.412 0.000 2.833 358 T HA -0.049 4.300 4.350 -0.001 0.000 0.269 358 T C 1.815 176.606 174.700 0.152 0.000 1.054 358 T CA 2.299 64.527 62.100 0.214 0.000 1.135 358 T CB -0.040 68.906 68.868 0.130 0.000 0.869 358 T HN 0.466 nan 8.240 nan 0.000 0.466 359 E N -0.507 119.783 120.200 0.150 0.000 2.170 359 E HA -0.051 4.298 4.350 -0.001 0.000 0.191 359 E C 1.608 178.289 176.600 0.135 0.000 0.981 359 E CA 0.730 57.196 56.400 0.108 0.000 0.830 359 E CB 0.159 29.910 29.700 0.084 0.000 0.775 359 E HN 0.484 nan 8.360 nan 0.000 0.470 360 E N -0.107 120.188 120.200 0.158 0.000 2.479 360 E HA 0.027 4.376 4.350 -0.001 0.000 0.193 360 E C 1.478 178.113 176.600 0.059 0.000 1.049 360 E CA -0.107 56.342 56.400 0.081 0.000 0.870 360 E CB 0.174 29.867 29.700 -0.012 0.000 0.944 360 E HN 0.110 nan 8.360 nan 0.000 0.492 361 R N 0.676 121.245 120.500 0.114 0.000 2.082 361 R HA -0.149 4.190 4.340 -0.001 0.000 0.234 361 R C 1.874 178.268 176.300 0.156 0.000 1.136 361 R CA 1.861 58.026 56.100 0.109 0.000 0.935 361 R CB -0.112 30.259 30.300 0.118 0.000 0.842 361 R HN 0.186 nan 8.270 nan 0.000 0.430 362 M N -0.159 119.571 119.600 0.216 0.000 2.200 362 M HA -0.092 4.387 4.480 -0.001 0.000 0.265 362 M C 2.377 179.029 176.300 0.587 0.000 1.066 362 M CA 1.389 56.882 55.300 0.321 0.000 1.127 362 M CB 0.076 32.790 32.600 0.191 0.000 1.379 362 M HN 0.176 nan 8.290 nan 0.000 0.420 363 S N 0.160 116.213 115.700 0.588 0.000 2.370 363 S HA -0.122 4.347 4.470 -0.001 0.000 0.226 363 S C 1.915 176.715 174.600 0.334 0.000 1.033 363 S CA 1.248 59.757 58.200 0.515 0.000 1.011 363 S CB -0.294 63.054 63.200 0.247 0.000 0.852 363 S HN 0.252 nan 8.310 nan 0.000 0.457 364 V N 1.771 121.789 119.914 0.173 0.000 2.358 364 V HA -0.103 4.017 4.120 -0.001 0.000 0.246 364 V C 1.946 178.116 176.094 0.128 0.000 1.047 364 V CA 1.414 63.745 62.300 0.051 0.000 1.035 364 V CB -0.557 31.172 31.823 -0.157 0.000 0.658 364 V HN 0.460 nan 8.190 nan 0.000 0.452 365 I N -1.151 119.549 120.570 0.216 0.000 2.439 365 I HA -0.237 3.932 4.170 -0.001 0.000 0.251 365 I C 2.350 178.599 176.117 0.220 0.000 1.139 365 I CA 1.437 62.878 61.300 0.234 0.000 1.438 365 I CB -0.379 37.808 38.000 0.312 0.000 1.085 365 I HN 0.483 nan 8.210 nan 0.000 0.427 366 W N 2.465 123.822 121.300 0.095 0.000 2.354 366 W HA -0.258 4.401 4.660 -0.000 0.000 0.315 366 W C 2.115 178.607 176.519 -0.045 0.000 1.206 366 W CA 2.339 59.578 57.345 -0.177 0.000 1.290 366 W CB -0.291 29.120 29.460 -0.082 0.000 1.152 366 W HN 0.231 nan 8.180 nan 0.000 0.489 367 D N 0.055 120.587 120.400 0.220 0.000 2.097 367 D HA -0.201 4.438 4.640 -0.001 0.000 0.195 367 D C 2.101 178.400 176.300 -0.003 0.000 0.989 367 D CA 1.914 55.980 54.000 0.111 0.000 0.827 367 D CB -0.064 40.814 40.800 0.130 0.000 0.966 367 D HN -0.125 nan 8.370 nan 0.000 0.456 368 K N -0.458 119.947 120.400 0.009 0.000 2.314 368 K HA 0.200 4.519 4.320 -0.001 0.000 0.198 368 K C 1.400 177.975 176.600 -0.042 0.000 1.045 368 K CA 0.737 57.022 56.287 -0.003 0.000 0.988 368 K CB 0.743 33.260 32.500 0.028 0.000 0.783 368 K HN 0.203 nan 8.250 nan 0.000 0.484 369 A N 0.184 122.953 122.820 -0.086 0.000 2.026 369 A HA 0.105 4.424 4.320 -0.001 0.000 0.198 369 A C 2.082 179.529 177.584 -0.228 0.000 1.390 369 A CA 0.086 52.056 52.037 -0.111 0.000 0.915 369 A CB 0.233 19.206 19.000 -0.045 0.000 0.974 369 A HN -0.012 nan 8.150 nan 0.000 0.477 370 V N -0.617 119.036 119.914 -0.434 0.000 2.436 370 V HA -0.064 4.056 4.120 -0.001 0.000 0.240 370 V C 2.407 178.182 176.094 -0.532 0.000 1.040 370 V CA 1.466 63.368 62.300 -0.662 0.000 1.052 370 V CB -0.490 30.482 31.823 -1.419 0.000 0.707 370 V HN 0.230 nan 8.190 nan 0.000 0.469 371 V N 1.609 121.221 119.914 -0.503 0.000 2.407 371 V HA -0.247 3.872 4.120 -0.001 0.000 0.248 371 V C 2.817 178.822 176.094 -0.148 0.000 1.055 371 V CA 2.588 64.741 62.300 -0.245 0.000 1.049 371 V CB -1.127 30.632 31.823 -0.106 0.000 0.662 371 V HN 0.823 nan 8.190 nan 0.000 0.455 372 T N -2.287 112.185 114.554 -0.137 0.000 3.098 372 T HA 0.134 4.483 4.350 -0.001 0.000 0.266 372 T C 1.558 176.206 174.700 -0.087 0.000 1.145 372 T CA 1.138 63.187 62.100 -0.085 0.000 1.092 372 T CB 0.118 68.949 68.868 -0.063 0.000 0.908 372 T HN 1.029 nan 8.240 nan 0.000 0.526 373 G N 1.205 109.932 108.800 -0.123 0.000 2.175 373 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.244 373 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.244 373 G C 0.820 175.663 174.900 -0.094 0.000 0.982 373 G CA 0.378 45.417 45.100 -0.102 0.000 0.641 373 G HN 0.557 nan 8.290 nan 0.000 0.527 374 K N -0.486 119.853 120.400 -0.102 0.000 2.103 374 K HA 0.227 4.546 4.320 -0.001 0.000 0.204 374 K C 1.445 177.995 176.600 -0.083 0.000 1.052 374 K CA 1.483 57.720 56.287 -0.083 0.000 0.945 374 K CB -0.016 32.438 32.500 -0.076 0.000 0.722 374 K HN 0.731 nan 8.250 nan 0.000 0.443 375 M N 0.443 119.977 119.600 -0.110 0.000 2.550 375 M HA 0.296 4.775 4.480 -0.001 0.000 0.292 375 M C -1.747 174.471 176.300 -0.135 0.000 1.221 375 M CA -1.226 54.019 55.300 -0.091 0.000 0.873 375 M CB 2.210 34.776 32.600 -0.057 0.000 1.727 375 M HN -0.152 nan 8.290 nan 0.000 0.459 376 D N 0.715 121.062 120.400 -0.089 0.000 2.411 376 D HA 0.144 4.783 4.640 -0.001 0.000 0.251 376 D C 0.840 177.101 176.300 -0.065 0.000 1.201 376 D CA -0.063 53.880 54.000 -0.096 0.000 0.996 376 D CB 0.508 41.286 40.800 -0.036 0.000 1.101 376 D HN 0.865 nan 8.370 nan 0.000 0.504 377 E N 0.348 120.530 120.200 -0.031 0.000 2.171 377 E HA -0.362 3.987 4.350 -0.001 0.000 0.197 377 E C 0.971 177.699 176.600 0.213 0.000 0.997 377 E CA 1.572 58.070 56.400 0.163 0.000 0.810 377 E CB -0.619 29.243 29.700 0.271 0.000 0.738 377 E HN 0.523 nan 8.360 nan 0.000 0.467 378 N N 0.768 119.536 118.700 0.113 0.000 2.207 378 N HA -0.108 4.632 4.740 -0.001 0.000 0.182 378 N C 1.817 177.367 175.510 0.066 0.000 1.020 378 N CA 1.227 54.328 53.050 0.085 0.000 0.858 378 N CB -0.047 38.474 38.487 0.058 0.000 0.991 378 N HN 0.208 nan 8.380 nan 0.000 0.427 379 Q N -0.085 119.748 119.800 0.056 0.000 2.135 379 Q HA -0.155 4.185 4.340 -0.001 0.000 0.204 379 Q C 1.533 177.570 176.000 0.062 0.000 0.981 379 Q CA 1.111 56.935 55.803 0.036 0.000 0.856 379 Q CB -0.222 28.526 28.738 0.017 0.000 0.902 379 Q HN 0.390 nan 8.270 nan 0.000 0.425 380 F N 0.543 120.462 119.950 -0.052 0.000 2.161 380 F HA -0.222 4.304 4.527 -0.002 0.000 0.300 380 F C 1.839 177.610 175.800 -0.048 0.000 1.089 380 F CA 1.093 59.065 58.000 -0.046 0.000 1.282 380 F CB -0.170 38.827 39.000 -0.005 0.000 1.010 380 F HN -0.177 nan 8.300 nan 0.000 0.485 381 V N 0.294 120.136 119.914 -0.121 0.000 2.379 381 V HA -0.214 3.905 4.120 -0.001 0.000 0.245 381 V C 2.755 178.744 176.094 -0.176 0.000 1.044 381 V CA 1.508 63.679 62.300 -0.214 0.000 1.036 381 V CB -1.432 30.354 31.823 -0.061 0.000 0.664 381 V HN 0.466 nan 8.190 nan 0.000 0.453 382 A N 0.641 123.400 122.820 -0.103 0.000 1.892 382 A HA -0.180 4.139 4.320 -0.001 0.000 0.218 382 A C 2.251 179.772 177.584 -0.105 0.000 1.188 382 A CA 2.467 54.446 52.037 -0.096 0.000 0.631 382 A CB -0.656 18.308 19.000 -0.060 0.000 0.822 382 A HN 0.781 nan 8.150 nan 0.000 0.447 383 V N -2.821 117.026 119.914 -0.112 0.000 3.647 383 V HA 0.076 4.195 4.120 -0.001 0.000 0.279 383 V C 1.712 177.730 176.094 -0.126 0.000 1.314 383 V CA 1.658 63.909 62.300 -0.081 0.000 1.125 383 V CB -0.769 31.031 31.823 -0.039 0.000 0.907 383 V HN 0.642 nan 8.190 nan 0.000 0.434 384 T N -2.277 112.123 114.554 -0.256 0.000 3.015 384 T HA 0.196 4.545 4.350 -0.001 0.000 0.250 384 T C 1.487 176.086 174.700 -0.169 0.000 1.057 384 T CA 1.100 63.028 62.100 -0.286 0.000 1.066 384 T CB 0.274 68.770 68.868 -0.621 0.000 0.959 384 T HN 0.795 nan 8.240 nan 0.000 0.488 385 S N -0.171 115.444 115.700 -0.142 0.000 3.640 385 S HA 0.070 4.539 4.470 -0.001 0.000 0.246 385 S C 1.803 176.371 174.600 -0.053 0.000 1.133 385 S CA 0.519 58.676 58.200 -0.072 0.000 0.882 385 S CB -0.407 62.747 63.200 -0.077 0.000 1.015 385 S HN 0.279 nan 8.310 nan 0.000 0.469 386 T N 3.375 117.880 114.554 -0.083 0.000 2.777 386 T HA 0.022 4.371 4.350 -0.001 0.000 0.266 386 T C 1.641 176.201 174.700 -0.234 0.000 1.040 386 T CA 1.725 63.754 62.100 -0.118 0.000 1.141 386 T CB -0.601 68.180 68.868 -0.145 0.000 0.868 386 T HN 0.355 nan 8.240 nan 0.000 0.444 387 N N 1.692 120.272 118.700 -0.200 0.000 2.084 387 N HA 0.002 4.742 4.740 -0.001 0.000 0.190 387 N C 2.180 177.561 175.510 -0.215 0.000 1.030 387 N CA 1.448 54.356 53.050 -0.236 0.000 0.849 387 N CB -0.794 37.649 38.487 -0.073 0.000 1.012 387 N HN 0.438 nan 8.380 nan 0.000 0.423 388 A N 0.885 123.664 122.820 -0.067 0.000 1.908 388 A HA -0.067 4.252 4.320 -0.001 0.000 0.218 388 A C 2.348 179.968 177.584 0.061 0.000 1.181 388 A CA 2.137 54.211 52.037 0.061 0.000 0.627 388 A CB -0.972 18.150 19.000 0.204 0.000 0.818 388 A HN 0.338 nan 8.150 nan 0.000 0.445 389 A N -0.196 122.624 122.820 0.000 0.000 1.883 389 A HA -0.208 4.111 4.320 -0.001 0.000 0.217 389 A C 2.126 179.681 177.584 -0.048 0.000 1.186 389 A CA 1.995 54.049 52.037 0.029 0.000 0.624 389 A CB -0.473 18.575 19.000 0.080 0.000 0.822 389 A HN 0.566 nan 8.150 nan 0.000 0.444 390 K N -0.605 119.624 120.400 -0.285 0.000 2.057 390 K HA -0.045 4.274 4.320 -0.001 0.000 0.206 390 K C 1.824 178.277 176.600 -0.246 0.000 1.050 390 K CA 1.372 57.388 56.287 -0.452 0.000 0.935 390 K CB -0.338 31.411 32.500 -1.252 0.000 0.715 390 K HN 0.289 nan 8.250 nan 0.000 0.439 391 V N 0.505 120.234 119.914 -0.308 0.000 2.427 391 V HA -0.175 3.944 4.120 -0.001 0.000 0.248 391 V C 1.278 177.060 176.094 -0.520 0.000 1.051 391 V CA 1.551 63.586 62.300 -0.442 0.000 1.048 391 V CB -0.365 30.918 31.823 -0.900 0.000 0.666 391 V HN 0.185 nan 8.190 nan 0.000 0.456 392 F N -0.243 119.683 119.950 -0.040 0.000 2.639 392 F HA 0.403 4.929 4.527 -0.001 0.000 0.300 392 F C 1.122 176.904 175.800 -0.030 0.000 1.109 392 F CA -0.451 57.525 58.000 -0.041 0.000 1.335 392 F CB -0.659 38.300 39.000 -0.069 0.000 1.014 392 F HN 0.137 nan 8.300 nan 0.000 0.537 393 N N 1.054 119.810 118.700 0.094 0.000 2.783 393 N HA -0.196 4.543 4.740 -0.001 0.000 0.247 393 N C -0.313 175.235 175.510 0.064 0.000 1.089 393 N CA 0.411 53.511 53.050 0.083 0.000 0.690 393 N CB -1.415 37.121 38.487 0.081 0.000 0.991 393 N HN 0.408 nan 8.380 nan 0.000 0.552 394 L N -0.159 121.107 121.223 0.072 0.000 3.202 394 L HA 0.303 4.642 4.340 -0.001 0.000 0.278 394 L C -0.247 176.667 176.870 0.074 0.000 1.268 394 L CA -0.389 54.477 54.840 0.043 0.000 1.034 394 L CB 0.184 42.261 42.059 0.029 0.000 1.407 394 L HN 0.243 nan 8.230 nan 0.000 0.581 395 Y N 1.314 121.584 120.300 -0.050 0.000 2.429 395 Y HA 0.476 5.026 4.550 -0.001 0.000 0.342 395 Y C -1.548 174.327 175.900 -0.042 0.000 1.004 395 Y CA -1.887 56.175 58.100 -0.063 0.000 1.075 395 Y CB 1.654 40.048 38.460 -0.108 0.000 1.214 395 Y HN -0.068 nan 8.280 nan 0.000 0.455 396 P HA 0.047 nan 4.420 nan 0.000 0.245 396 P C 1.024 178.107 177.300 -0.361 0.000 1.212 396 P CA 0.435 62.958 63.100 -0.963 0.000 0.774 396 P CB 0.192 31.399 31.700 -0.822 0.000 0.999 397 R N 0.917 121.297 120.500 -0.200 0.000 2.112 397 R HA -0.103 4.236 4.340 -0.001 0.000 0.242 397 R C 0.407 176.659 176.300 -0.080 0.000 1.137 397 R CA 1.340 57.372 56.100 -0.113 0.000 0.944 397 R CB 0.056 30.309 30.300 -0.078 0.000 0.857 397 R HN 0.031 nan 8.270 nan 0.000 0.435 398 K N -1.185 119.189 120.400 -0.043 0.000 2.208 398 K HA 0.294 4.613 4.320 -0.001 0.000 0.247 398 K C 0.133 176.760 176.600 0.046 0.000 0.953 398 K CA 0.040 56.323 56.287 -0.008 0.000 0.837 398 K CB 1.717 34.217 32.500 -0.000 0.000 1.131 398 K HN 0.421 nan 8.250 nan 0.000 0.431 399 G N 1.232 110.056 108.800 0.039 0.000 2.132 399 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.228 399 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.228 399 G C -0.011 174.949 174.900 0.100 0.000 1.000 399 G CA 0.482 45.622 45.100 0.067 0.000 0.693 399 G HN 0.557 nan 8.290 nan 0.000 0.515 400 R N -0.478 120.051 120.500 0.049 0.000 2.563 400 R HA 0.468 4.807 4.340 -0.001 0.000 0.262 400 R C -0.746 175.557 176.300 0.005 0.000 1.128 400 R CA -1.071 55.057 56.100 0.047 0.000 0.969 400 R CB 0.598 30.908 30.300 0.016 0.000 1.251 400 R HN 0.041 nan 8.270 nan 0.000 0.442 401 I N 3.897 124.481 120.570 0.024 0.000 2.269 401 I HA 0.461 4.630 4.170 -0.001 0.000 0.293 401 I C -0.120 176.031 176.117 0.057 0.000 1.106 401 I CA -0.087 61.224 61.300 0.018 0.000 1.248 401 I CB 0.169 38.165 38.000 -0.007 0.000 1.444 401 I HN 0.683 nan 8.210 nan 0.000 0.497 402 A N 5.651 128.485 122.820 0.024 0.000 2.547 402 A HA 0.571 4.890 4.320 -0.001 0.000 0.297 402 A C -0.607 176.980 177.584 0.004 0.000 1.056 402 A CA -0.573 51.481 52.037 0.029 0.000 0.688 402 A CB 1.329 20.323 19.000 -0.009 0.000 1.282 402 A HN 0.183 nan 8.150 nan 0.000 0.400 403 V N 1.949 121.875 119.914 0.020 0.000 2.625 403 V HA 0.310 4.429 4.120 -0.001 0.000 0.305 403 V C 1.671 177.757 176.094 -0.014 0.000 1.055 403 V CA 2.547 64.855 62.300 0.013 0.000 1.209 403 V CB 0.244 32.081 31.823 0.023 0.000 0.877 403 V HN 2.391 nan 8.190 nan 0.000 0.489 404 G N 3.902 112.690 108.800 -0.019 0.000 2.195 404 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.246 404 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.246 404 G C 0.345 175.213 174.900 -0.053 0.000 0.984 404 G CA 0.139 45.219 45.100 -0.034 0.000 0.633 404 G HN 0.769 nan 8.290 nan 0.000 0.525 405 S N 1.382 117.046 115.700 -0.059 0.000 2.586 405 S HA 0.493 4.962 4.470 -0.001 0.000 0.274 405 S C 0.064 174.630 174.600 -0.057 0.000 1.281 405 S CA -0.588 57.568 58.200 -0.074 0.000 1.035 405 S CB 1.120 64.270 63.200 -0.084 0.000 0.962 405 S HN 0.333 nan 8.310 nan 0.000 0.512 406 D N 1.898 122.263 120.400 -0.057 0.000 2.515 406 D HA 0.150 4.789 4.640 -0.001 0.000 0.232 406 D C 0.125 176.398 176.300 -0.044 0.000 1.157 406 D CA 0.421 54.392 54.000 -0.048 0.000 0.871 406 D CB 0.325 41.097 40.800 -0.045 0.000 1.200 406 D HN 0.573 nan 8.370 nan 0.000 0.466 407 A N 2.495 125.288 122.820 -0.045 0.000 3.078 407 A HA 0.217 4.536 4.320 -0.001 0.000 0.279 407 A C -0.610 176.955 177.584 -0.032 0.000 1.594 407 A CA -0.450 51.559 52.037 -0.047 0.000 1.301 407 A CB -0.071 18.889 19.000 -0.067 0.000 1.162 407 A HN 0.247 nan 8.150 nan 0.000 0.585 408 D N 1.492 121.879 120.400 -0.023 0.000 2.454 408 D HA 0.593 5.233 4.640 -0.001 0.000 0.247 408 D C -0.646 175.650 176.300 -0.006 0.000 1.129 408 D CA 0.154 54.149 54.000 -0.009 0.000 0.877 408 D CB 1.344 42.140 40.800 -0.007 0.000 1.082 408 D HN 0.254 nan 8.370 nan 0.000 0.537 409 L N 0.893 122.116 121.223 0.000 0.000 2.303 409 L HA 0.741 5.080 4.340 -0.001 0.000 0.256 409 L C -0.583 176.304 176.870 0.029 0.000 1.034 409 L CA -1.108 53.735 54.840 0.006 0.000 0.832 409 L CB 2.085 44.142 42.059 -0.004 0.000 1.403 409 L HN 0.005 nan 8.230 nan 0.000 0.419 410 V N 1.201 121.143 119.914 0.047 0.000 2.777 410 V HA 0.453 4.572 4.120 -0.001 0.000 0.306 410 V C -0.758 175.397 176.094 0.103 0.000 1.112 410 V CA -0.446 61.911 62.300 0.094 0.000 0.917 410 V CB 2.096 34.013 31.823 0.156 0.000 1.018 410 V HN 0.508 nan 8.190 nan 0.000 0.426 411 I N 4.203 124.827 120.570 0.090 0.000 2.304 411 I HA 0.301 4.470 4.170 -0.001 0.000 0.291 411 I C -0.462 175.722 176.117 0.112 0.000 1.018 411 I CA -0.132 61.214 61.300 0.078 0.000 1.260 411 I CB 0.943 38.961 38.000 0.029 0.000 1.390 411 I HN 0.635 nan 8.210 nan 0.000 0.475 412 W N 6.792 128.027 121.300 -0.108 0.000 2.512 412 W HA 0.272 4.931 4.660 -0.002 0.000 0.335 412 W C -0.910 175.473 176.519 -0.225 0.000 1.088 412 W CA -0.330 56.903 57.345 -0.188 0.000 1.236 412 W CB 1.782 31.093 29.460 -0.248 0.000 1.307 412 W HN 0.393 nan 8.180 nan 0.000 0.567 413 D N 6.574 126.524 120.400 -0.749 0.000 2.454 413 D HA 0.230 4.870 4.640 -0.001 0.000 0.225 413 D C -1.420 174.437 176.300 -0.739 0.000 1.081 413 D CA -2.376 51.286 54.000 -0.564 0.000 0.864 413 D CB 1.804 42.324 40.800 -0.467 0.000 1.040 413 D HN 0.055 nan 8.370 nan 0.000 0.517 414 P HA 0.049 nan 4.420 nan 0.000 0.241 414 P C 0.069 177.368 177.300 -0.001 0.000 1.191 414 P CA 0.494 63.432 63.100 -0.270 0.000 0.771 414 P CB 0.816 32.593 31.700 0.129 0.000 0.929 415 D N -0.697 119.661 120.400 -0.070 0.000 2.454 415 D HA -0.002 4.637 4.640 -0.001 0.000 0.219 415 D C 0.609 176.883 176.300 -0.044 0.000 1.081 415 D CA 0.413 54.412 54.000 -0.002 0.000 0.867 415 D CB 0.005 40.808 40.800 0.006 0.000 1.054 415 D HN 0.162 nan 8.370 nan 0.000 0.500 416 S N 1.384 117.010 115.700 -0.122 0.000 2.546 416 S HA 0.157 4.627 4.470 -0.001 0.000 0.290 416 S C 0.342 174.893 174.600 -0.081 0.000 1.262 416 S CA -0.521 57.608 58.200 -0.119 0.000 1.083 416 S CB 0.785 63.867 63.200 -0.196 0.000 0.859 416 S HN -0.112 nan 8.310 nan 0.000 0.495 417 V N 4.296 124.185 119.914 -0.042 0.000 2.567 417 V HA 0.535 4.654 4.120 -0.001 0.000 0.289 417 V C 0.323 176.398 176.094 -0.031 0.000 1.049 417 V CA -0.529 61.760 62.300 -0.019 0.000 0.969 417 V CB 1.161 32.985 31.823 0.003 0.000 0.995 417 V HN 0.913 nan 8.190 nan 0.000 0.471 418 K N 1.874 122.262 120.400 -0.021 0.000 2.565 418 K HA 0.365 4.685 4.320 -0.001 0.000 0.251 418 K C -0.965 175.636 176.600 0.001 0.000 0.956 418 K CA -0.614 55.660 56.287 -0.022 0.000 0.809 418 K CB 2.234 34.708 32.500 -0.044 0.000 1.267 418 K HN 0.651 nan 8.250 nan 0.000 0.438 419 T N 3.581 118.137 114.554 0.004 0.000 2.779 419 T HA 0.245 4.594 4.350 -0.001 0.000 0.296 419 T C 0.551 175.264 174.700 0.022 0.000 0.938 419 T CA -0.088 62.023 62.100 0.018 0.000 1.119 419 T CB -0.004 68.871 68.868 0.012 0.000 0.891 419 T HN 0.293 nan 8.240 nan 0.000 0.526 420 I N 3.997 124.597 120.570 0.049 0.000 2.441 420 I HA 0.360 4.529 4.170 -0.001 0.000 0.287 420 I C 0.676 176.824 176.117 0.051 0.000 1.049 420 I CA 0.004 61.348 61.300 0.072 0.000 1.381 420 I CB 0.701 38.782 38.000 0.135 0.000 1.409 420 I HN 0.701 nan 8.210 nan 0.000 0.523 421 S N 3.745 119.445 115.700 -0.000 0.000 2.588 421 S HA 0.581 5.051 4.470 -0.001 0.000 0.269 421 S C 0.267 174.697 174.600 -0.284 0.000 1.157 421 S CA -0.351 57.798 58.200 -0.085 0.000 0.824 421 S CB 1.517 64.666 63.200 -0.085 0.000 1.126 421 S HN 0.630 nan 8.310 nan 0.000 0.464 422 A N 1.130 123.682 122.820 -0.447 0.000 2.067 422 A HA -0.020 4.299 4.320 -0.001 0.000 0.219 422 A C 1.863 179.061 177.584 -0.643 0.000 1.158 422 A CA 1.452 52.908 52.037 -0.969 0.000 0.661 422 A CB -0.845 17.843 19.000 -0.519 0.000 0.801 422 A HN 0.877 nan 8.150 nan 0.000 0.452 423 K N -1.770 118.433 120.400 -0.329 0.000 2.525 423 K HA 0.069 4.388 4.320 -0.001 0.000 0.192 423 K C 0.849 177.365 176.600 -0.139 0.000 1.029 423 K CA 1.359 57.531 56.287 -0.191 0.000 1.029 423 K CB -0.124 32.300 32.500 -0.128 0.000 0.814 423 K HN 0.160 nan 8.250 nan 0.000 0.503 424 T N 0.728 115.184 114.554 -0.163 0.000 2.975 424 T HA 0.038 4.387 4.350 -0.001 0.000 0.261 424 T C 0.037 174.747 174.700 0.016 0.000 0.984 424 T CA -0.479 61.583 62.100 -0.064 0.000 0.911 424 T CB 0.069 68.908 68.868 -0.049 0.000 1.127 424 T HN 0.526 nan 8.240 nan 0.000 0.514 425 H N -0.105 118.959 119.070 -0.010 0.000 2.534 425 H HA 0.421 4.976 4.556 -0.001 0.000 0.364 425 H C -0.357 174.959 175.328 -0.020 0.000 1.328 425 H CA -0.586 55.461 56.048 -0.002 0.000 1.415 425 H CB 0.591 30.368 29.762 0.025 0.000 1.573 425 H HN -0.123 nan 8.280 nan 0.000 0.601 426 N N 0.099 118.849 118.700 0.083 0.000 2.558 426 N HA 0.093 4.832 4.740 -0.001 0.000 0.281 426 N C -1.110 174.309 175.510 -0.151 0.000 1.219 426 N CA -0.154 52.871 53.050 -0.043 0.000 0.942 426 N CB 0.752 39.184 38.487 -0.092 0.000 1.241 426 N HN 0.434 nan 8.380 nan 0.000 0.511 427 S N -1.400 114.152 115.700 -0.246 0.000 2.568 427 S HA 0.340 4.810 4.470 -0.001 0.000 0.293 427 S C 0.956 175.458 174.600 -0.163 0.000 1.089 427 S CA -0.729 57.271 58.200 -0.333 0.000 0.945 427 S CB 1.085 63.883 63.200 -0.670 0.000 1.077 427 S HN 0.209 nan 8.310 nan 0.000 0.485 428 S N 2.505 118.151 115.700 -0.090 0.000 2.399 428 S HA -0.009 4.460 4.470 -0.001 0.000 0.231 428 S C 0.753 175.382 174.600 0.049 0.000 1.022 428 S CA 0.510 58.704 58.200 -0.010 0.000 0.983 428 S CB -0.576 62.611 63.200 -0.022 0.000 0.803 428 S HN 0.564 nan 8.310 nan 0.000 0.480 429 L N 2.243 123.482 121.223 0.028 0.000 2.499 429 L HA 0.059 4.398 4.340 -0.001 0.000 0.281 429 L C 1.309 178.290 176.870 0.184 0.000 1.234 429 L CA 0.519 55.419 54.840 0.100 0.000 0.839 429 L CB 0.080 42.174 42.059 0.058 0.000 1.104 429 L HN 0.040 nan 8.230 nan 0.000 0.500 430 E N 0.950 121.213 120.200 0.104 0.000 2.299 430 E HA -0.007 4.342 4.350 -0.001 0.000 0.193 430 E C -0.786 175.620 176.600 -0.323 0.000 0.998 430 E CA 0.948 57.301 56.400 -0.078 0.000 0.851 430 E CB 0.020 29.688 29.700 -0.054 0.000 0.795 430 E HN 0.440 nan 8.360 nan 0.000 0.492 431 Y N -0.500 119.837 120.300 0.063 0.000 2.562 431 Y HA 0.458 5.007 4.550 -0.001 0.000 0.343 431 Y C -0.340 175.574 175.900 0.024 0.000 1.025 431 Y CA -1.189 56.917 58.100 0.009 0.000 1.082 431 Y CB 1.789 40.235 38.460 -0.023 0.000 1.264 431 Y HN -0.255 nan 8.280 nan 0.000 0.478 432 N N 1.459 120.216 118.700 0.096 0.000 2.371 432 N HA 0.293 5.032 4.740 -0.001 0.000 0.291 432 N C 0.319 175.684 175.510 -0.241 0.000 1.053 432 N CA -0.506 52.534 53.050 -0.018 0.000 0.870 432 N CB 1.063 39.594 38.487 0.074 0.000 1.503 432 N HN 0.709 nan 8.380 nan 0.000 0.485 433 I N -0.280 119.908 120.570 -0.636 0.000 3.083 433 I HA 0.086 4.255 4.170 -0.001 0.000 0.273 433 I C -0.267 175.404 176.117 -0.743 0.000 1.297 433 I CA 0.941 61.586 61.300 -1.092 0.000 1.452 433 I CB -0.216 36.828 38.000 -1.594 0.000 1.078 433 I HN 0.343 nan 8.210 nan 0.000 0.484 434 F N 1.137 121.037 119.950 -0.083 0.000 2.639 434 F HA 0.351 4.878 4.527 -0.001 0.000 0.302 434 F C 0.913 176.721 175.800 0.014 0.000 1.097 434 F CA -1.160 56.841 58.000 0.002 0.000 1.294 434 F CB -0.643 38.376 39.000 0.031 0.000 1.027 434 F HN 0.002 nan 8.300 nan 0.000 0.550 435 E N 1.034 121.288 120.200 0.090 0.000 2.765 435 E HA 0.267 4.617 4.350 -0.001 0.000 0.256 435 E C 1.399 178.049 176.600 0.084 0.000 0.935 435 E CA 1.212 57.652 56.400 0.067 0.000 0.954 435 E CB -0.016 29.707 29.700 0.040 0.000 0.908 435 E HN 0.535 nan 8.360 nan 0.000 0.500 436 G N 3.752 112.596 108.800 0.073 0.000 2.217 436 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.246 436 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.246 436 G C 0.377 175.327 174.900 0.082 0.000 0.990 436 G CA 0.150 45.292 45.100 0.070 0.000 0.627 436 G HN 0.594 nan 8.290 nan 0.000 0.522 437 M N 2.182 121.847 119.600 0.108 0.000 2.184 437 M HA 0.333 4.812 4.480 -0.001 0.000 0.351 437 M C -0.305 176.037 176.300 0.070 0.000 1.395 437 M CA -0.083 55.280 55.300 0.105 0.000 1.117 437 M CB 0.342 33.025 32.600 0.138 0.000 1.708 437 M HN 0.054 nan 8.290 nan 0.000 0.468 438 E N 4.667 124.902 120.200 0.059 0.000 2.003 438 E HA 0.133 4.482 4.350 -0.001 0.000 0.279 438 E C -1.074 175.553 176.600 0.046 0.000 1.132 438 E CA -0.005 56.421 56.400 0.043 0.000 0.888 438 E CB 0.613 30.336 29.700 0.039 0.000 1.056 438 E HN 0.580 nan 8.360 nan 0.000 0.399 439 C N 4.376 123.699 119.300 0.039 0.000 2.281 439 C HA 0.360 4.819 4.460 -0.001 0.000 0.325 439 C C 0.597 175.619 174.990 0.054 0.000 1.282 439 C CA -0.673 58.375 59.018 0.051 0.000 1.640 439 C CB 0.039 27.802 27.740 0.039 0.000 2.288 439 C HN 0.690 nan 8.230 nan 0.000 0.507 440 R N 3.298 123.859 120.500 0.102 0.000 2.441 440 R HA 0.553 4.892 4.340 -0.001 0.000 0.284 440 R C 0.287 176.711 176.300 0.206 0.000 1.070 440 R CA 1.065 57.242 56.100 0.129 0.000 1.047 440 R CB 0.666 31.076 30.300 0.182 0.000 1.016 440 R HN 1.241 nan 8.270 nan 0.000 0.477 441 G N 1.807 110.592 108.800 -0.024 0.000 3.322 441 G HA2 -0.050 3.909 3.960 -0.001 0.000 0.686 441 G HA3 -0.050 3.909 3.960 -0.001 0.000 0.686 441 G C -0.990 173.533 174.900 -0.629 0.000 1.015 441 G CA -0.229 44.650 45.100 -0.368 0.000 0.826 441 G HN 0.972 nan 8.290 nan 0.000 0.538 442 S N 2.624 117.463 115.700 -1.436 0.000 2.543 442 S HA 0.863 5.332 4.470 -0.001 0.000 0.274 442 S C -3.089 170.692 174.600 -1.365 0.000 1.149 442 S CA -0.861 56.591 58.200 -1.247 0.000 0.866 442 S CB 3.156 66.033 63.200 -0.539 0.000 1.111 442 S HN 0.830 nan 8.310 nan 0.000 0.457 443 P HA 0.291 nan 4.420 nan 0.000 0.271 443 P C 0.098 177.249 177.300 -0.248 0.000 1.218 443 P CA -0.522 62.389 63.100 -0.316 0.000 0.780 443 P CB 0.743 32.446 31.700 0.005 0.000 0.901 444 L N 1.558 122.687 121.223 -0.156 0.000 2.445 444 L HA 0.199 4.538 4.340 -0.001 0.000 0.207 444 L C 0.440 177.285 176.870 -0.041 0.000 1.053 444 L CA 0.586 55.362 54.840 -0.106 0.000 0.841 444 L CB 0.383 42.387 42.059 -0.092 0.000 1.074 444 L HN 0.116 nan 8.230 nan 0.000 0.479 445 V N 0.559 120.468 119.914 -0.009 0.000 2.668 445 V HA 0.367 4.486 4.120 -0.001 0.000 0.304 445 V C -0.668 175.447 176.094 0.034 0.000 1.071 445 V CA -0.631 61.679 62.300 0.015 0.000 0.894 445 V CB 2.502 34.334 31.823 0.015 0.000 1.008 445 V HN -0.225 nan 8.190 nan 0.000 0.425 446 V N 6.082 126.019 119.914 0.038 0.000 2.495 446 V HA 0.591 4.711 4.120 -0.001 0.000 0.298 446 V C -0.465 175.651 176.094 0.036 0.000 1.031 446 V CA -0.485 61.842 62.300 0.046 0.000 0.871 446 V CB 1.934 33.785 31.823 0.047 0.000 0.988 446 V HN 0.724 nan 8.190 nan 0.000 0.432 447 I N 3.541 124.128 120.570 0.027 0.000 2.410 447 I HA 0.443 4.612 4.170 -0.001 0.000 0.286 447 I C -0.006 176.118 176.117 0.012 0.000 1.009 447 I CA 0.064 61.373 61.300 0.015 0.000 1.111 447 I CB 1.934 39.934 38.000 0.001 0.000 1.262 447 I HN 0.599 nan 8.210 nan 0.000 0.443 448 S N 5.352 121.060 115.700 0.014 0.000 2.449 448 S HA 0.350 4.819 4.470 -0.001 0.000 0.310 448 S C 0.059 174.663 174.600 0.006 0.000 1.096 448 S CA -0.243 57.965 58.200 0.014 0.000 1.095 448 S CB 0.731 63.946 63.200 0.025 0.000 1.007 448 S HN 0.701 nan 8.310 nan 0.000 0.474 449 Q N 2.691 122.489 119.800 -0.002 0.000 2.461 449 Q HA -0.222 4.117 4.340 -0.001 0.000 0.273 449 Q C 0.857 176.842 176.000 -0.024 0.000 1.163 449 Q CA 0.806 56.602 55.803 -0.011 0.000 0.929 449 Q CB -2.034 26.704 28.738 0.000 0.000 1.334 449 Q HN 1.585 nan 8.270 nan 0.000 0.499 450 G N -0.241 108.539 108.800 -0.032 0.000 2.143 450 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.248 450 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.248 450 G C -0.146 174.730 174.900 -0.039 0.000 0.991 450 G CA 0.709 45.779 45.100 -0.050 0.000 0.689 450 G HN 0.281 nan 8.290 nan 0.000 0.522 451 K N 0.085 120.474 120.400 -0.019 0.000 2.376 451 K HA 0.527 4.846 4.320 -0.001 0.000 0.257 451 K C 0.488 177.090 176.600 0.003 0.000 0.939 451 K CA -1.091 55.190 56.287 -0.011 0.000 0.809 451 K CB 2.021 34.520 32.500 -0.001 0.000 1.121 451 K HN 0.189 nan 8.250 nan 0.000 0.425 452 I N 3.526 124.097 120.570 0.000 0.000 2.752 452 I HA -0.145 4.024 4.170 -0.001 0.000 0.286 452 I C 1.472 177.625 176.117 0.060 0.000 1.180 452 I CA 0.244 61.558 61.300 0.022 0.000 1.404 452 I CB 0.283 38.288 38.000 0.009 0.000 1.389 452 I HN 0.522 nan 8.210 nan 0.000 0.549 453 V N 5.264 125.222 119.914 0.074 0.000 3.643 453 V HA 0.362 4.481 4.120 -0.001 0.000 0.280 453 V C 0.025 176.180 176.094 0.102 0.000 1.351 453 V CA 0.030 62.389 62.300 0.098 0.000 1.073 453 V CB 0.477 32.332 31.823 0.053 0.000 0.863 453 V HN 0.574 nan 8.190 nan 0.000 0.436 454 L N 2.164 123.447 121.223 0.100 0.000 2.580 454 L HA 0.709 5.048 4.340 -0.001 0.000 0.266 454 L C -1.063 175.853 176.870 0.078 0.000 0.955 454 L CA -0.058 54.821 54.840 0.065 0.000 0.886 454 L CB 1.791 43.857 42.059 0.012 0.000 1.263 454 L HN 0.617 nan 8.230 nan 0.000 0.406 455 E N 2.267 122.531 120.200 0.107 0.000 2.412 455 E HA 0.436 4.786 4.350 -0.001 0.000 0.279 455 E C -1.100 175.538 176.600 0.063 0.000 0.984 455 E CA -0.734 55.708 56.400 0.070 0.000 0.788 455 E CB 1.389 31.129 29.700 0.067 0.000 1.277 455 E HN 0.482 nan 8.360 nan 0.000 0.455 456 D N 0.571 120.989 120.400 0.030 0.000 2.931 456 D HA -0.261 4.378 4.640 -0.001 0.000 0.228 456 D C 0.980 177.280 176.300 -0.000 0.000 1.180 456 D CA 2.167 56.178 54.000 0.019 0.000 0.784 456 D CB -1.381 39.442 40.800 0.038 0.000 1.093 456 D HN 1.132 nan 8.370 nan 0.000 0.421 457 G N -1.803 106.985 108.800 -0.020 0.000 2.241 457 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.244 457 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.244 457 G C 0.471 175.329 174.900 -0.069 0.000 0.998 457 G CA 0.535 45.609 45.100 -0.043 0.000 0.621 457 G HN 0.526 nan 8.290 nan 0.000 0.519 458 T N 1.747 116.249 114.554 -0.085 0.000 2.845 458 T HA 0.620 4.970 4.350 -0.001 0.000 0.288 458 T C -0.288 174.192 174.700 -0.367 0.000 0.980 458 T CA -0.334 61.630 62.100 -0.227 0.000 1.071 458 T CB 2.427 71.133 68.868 -0.269 0.000 0.941 458 T HN 0.314 nan 8.240 nan 0.000 0.487 459 L N 4.027 125.024 121.223 -0.377 0.000 2.275 459 L HA 0.321 4.660 4.340 -0.001 0.000 0.288 459 L C -0.097 176.519 176.870 -0.423 0.000 1.046 459 L CA -0.268 54.397 54.840 -0.292 0.000 0.805 459 L CB 0.296 42.261 42.059 -0.156 0.000 1.193 459 L HN 0.674 nan 8.230 nan 0.000 0.426 460 H N 5.168 124.241 119.070 0.004 0.000 2.336 460 H HA 0.331 4.886 4.556 -0.001 0.000 0.230 460 H C -0.226 175.116 175.328 0.023 0.000 1.426 460 H CA -0.389 55.669 56.048 0.016 0.000 1.359 460 H CB 0.703 30.472 29.762 0.011 0.000 1.555 460 H HN 0.439 nan 8.280 nan 0.000 0.512 461 V N 0.011 119.984 119.914 0.099 0.000 3.134 461 V HA 0.673 4.792 4.120 -0.001 0.000 0.313 461 V C 0.220 176.400 176.094 0.143 0.000 1.069 461 V CA -0.422 61.932 62.300 0.090 0.000 1.048 461 V CB 2.061 33.894 31.823 0.017 0.000 1.119 461 V HN 0.370 nan 8.190 nan 0.000 0.461 462 T N 2.232 116.871 114.554 0.141 0.000 2.985 462 T HA 0.301 4.650 4.350 -0.001 0.000 0.315 462 T C -0.393 174.407 174.700 0.167 0.000 1.001 462 T CA -0.170 62.011 62.100 0.134 0.000 1.016 462 T CB 0.598 69.514 68.868 0.080 0.000 0.993 462 T HN 1.015 nan 8.240 nan 0.000 0.454 463 E N 1.872 122.206 120.200 0.223 0.000 2.606 463 E HA 0.240 4.589 4.350 -0.001 0.000 0.248 463 E C 1.296 177.950 176.600 0.089 0.000 1.005 463 E CA 1.347 57.875 56.400 0.214 0.000 0.946 463 E CB -0.212 29.425 29.700 -0.104 0.000 0.928 463 E HN 1.002 nan 8.360 nan 0.000 0.494 464 G N 2.995 111.850 108.800 0.091 0.000 2.213 464 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.226 464 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.226 464 G C 0.858 175.790 174.900 0.052 0.000 0.992 464 G CA 0.492 45.617 45.100 0.042 0.000 0.632 464 G HN 0.793 nan 8.290 nan 0.000 0.511 465 S N 0.250 115.989 115.700 0.065 0.000 2.607 465 S HA 0.470 4.939 4.470 -0.001 0.000 0.224 465 S C 1.311 175.958 174.600 0.077 0.000 0.969 465 S CA 1.014 59.251 58.200 0.062 0.000 0.927 465 S CB 0.253 63.487 63.200 0.057 0.000 0.772 465 S HN 1.659 nan 8.310 nan 0.000 0.533 466 G N 1.039 109.901 108.800 0.105 0.000 2.377 466 G HA2 0.567 4.526 3.960 -0.001 0.000 0.299 466 G HA3 0.567 4.526 3.960 -0.001 0.000 0.299 466 G C -0.511 174.530 174.900 0.235 0.000 1.150 466 G CA -1.047 44.146 45.100 0.155 0.000 0.847 466 G HN 0.378 nan 8.290 nan 0.000 0.501 467 R N 0.232 120.829 120.500 0.162 0.000 2.457 467 R HA 0.208 4.548 4.340 -0.001 0.000 0.284 467 R C -0.899 175.347 176.300 -0.091 0.000 1.024 467 R CA -0.766 55.390 56.100 0.094 0.000 1.025 467 R CB 1.437 31.740 30.300 0.005 0.000 1.063 467 R HN 0.602 nan 8.270 nan 0.000 0.493 468 Y N 3.484 123.594 120.300 -0.316 0.000 2.569 468 Y HA 0.061 4.610 4.550 -0.001 0.000 0.332 468 Y C -0.416 175.256 175.900 -0.380 0.000 1.120 468 Y CA -0.187 57.479 58.100 -0.724 0.000 1.416 468 Y CB 0.462 38.669 38.460 -0.422 0.000 1.210 468 Y HN 0.337 nan 8.280 nan 0.000 0.528 469 I N 9.923 129.851 120.570 -1.071 0.000 2.307 469 I HA 0.250 4.420 4.170 -0.001 0.000 0.289 469 I C -2.356 173.224 176.117 -0.894 0.000 1.021 469 I CA -2.811 58.060 61.300 -0.716 0.000 1.224 469 I CB 0.831 38.571 38.000 -0.433 0.000 1.376 469 I HN 0.492 nan 8.210 nan 0.000 0.470 470 P HA 0.350 nan 4.420 nan 0.000 0.275 470 P C -0.755 176.419 177.300 -0.210 0.000 1.228 470 P CA -0.517 62.375 63.100 -0.347 0.000 0.786 470 P CB 0.924 32.560 31.700 -0.107 0.000 0.927 471 R N 1.737 122.156 120.500 -0.134 0.000 2.483 471 R HA 0.371 4.710 4.340 -0.001 0.000 0.303 471 R C -0.043 176.239 176.300 -0.030 0.000 0.987 471 R CA -0.761 55.292 56.100 -0.078 0.000 0.881 471 R CB 2.125 32.375 30.300 -0.084 0.000 1.177 471 R HN 0.391 nan 8.270 nan 0.000 0.451 472 K N 3.459 123.855 120.400 -0.006 0.000 2.154 472 K HA 0.317 4.636 4.320 -0.001 0.000 0.264 472 K C -2.052 174.554 176.600 0.011 0.000 1.008 472 K CA -1.680 54.614 56.287 0.011 0.000 0.937 472 K CB 0.771 33.289 32.500 0.031 0.000 1.002 472 K HN 0.262 nan 8.250 nan 0.000 0.469 473 P HA 0.060 nan 4.420 nan 0.000 0.275 473 P C -0.570 176.676 177.300 -0.090 0.000 1.266 473 P CA -0.222 62.772 63.100 -0.176 0.000 0.793 473 P CB 0.186 31.685 31.700 -0.335 0.000 1.074 474 F N -3.905 115.907 119.950 -0.230 0.000 3.039 474 F HA -0.141 4.385 4.527 -0.001 0.000 0.287 474 F C -1.617 174.203 175.800 0.032 0.000 0.956 474 F CA -0.117 57.705 58.000 -0.298 0.000 0.971 474 F CB -2.912 35.924 39.000 -0.273 0.000 0.943 474 F HN 0.244 nan 8.300 nan 0.000 0.766 475 P HA -0.021 nan 4.420 nan 0.000 0.261 475 P C 0.880 178.358 177.300 0.296 0.000 1.183 475 P CA 0.326 63.566 63.100 0.234 0.000 0.761 475 P CB 0.845 32.657 31.700 0.186 0.000 0.785 476 D N 2.380 122.924 120.400 0.240 0.000 2.092 476 D HA -0.195 4.444 4.640 -0.001 0.000 0.193 476 D C 1.532 177.981 176.300 0.249 0.000 0.994 476 D CA 1.225 55.363 54.000 0.229 0.000 0.828 476 D CB -0.752 40.156 40.800 0.180 0.000 0.963 476 D HN 0.332 nan 8.370 nan 0.000 0.450 477 F N 1.240 121.229 119.950 0.065 0.000 2.106 477 F HA -0.292 4.234 4.527 -0.001 0.000 0.299 477 F C 2.170 178.006 175.800 0.061 0.000 1.082 477 F CA 1.251 59.269 58.000 0.030 0.000 1.244 477 F CB -0.301 38.675 39.000 -0.040 0.000 0.997 477 F HN -0.153 nan 8.300 nan 0.000 0.486 478 V N -2.269 117.722 119.914 0.129 0.000 2.492 478 V HA -0.191 3.928 4.120 -0.001 0.000 0.241 478 V C 1.775 177.838 176.094 -0.052 0.000 1.041 478 V CA 1.371 63.672 62.300 0.001 0.000 1.057 478 V CB -0.872 30.962 31.823 0.019 0.000 0.711 478 V HN 0.248 nan 8.190 nan 0.000 0.468 479 Y N 0.540 120.895 120.300 0.092 0.000 2.448 479 Y HA 0.054 4.603 4.550 -0.001 0.000 0.289 479 Y C 2.378 178.331 175.900 0.088 0.000 1.114 479 Y CA 0.769 58.940 58.100 0.119 0.000 1.235 479 Y CB -0.076 38.521 38.460 0.229 0.000 1.045 479 Y HN 0.135 nan 8.280 nan 0.000 0.554 480 K N 0.136 120.649 120.400 0.188 0.000 2.089 480 K HA -0.249 4.070 4.320 -0.001 0.000 0.210 480 K C 2.036 178.672 176.600 0.060 0.000 1.048 480 K CA 1.845 58.200 56.287 0.113 0.000 0.926 480 K CB -0.157 32.393 32.500 0.084 0.000 0.714 480 K HN 0.280 nan 8.250 nan 0.000 0.448 481 R N 0.248 120.755 120.500 0.012 0.000 2.092 481 R HA -0.058 4.281 4.340 -0.001 0.000 0.231 481 R C 2.217 178.507 176.300 -0.017 0.000 1.119 481 R CA 0.992 57.077 56.100 -0.025 0.000 0.970 481 R CB -0.229 30.025 30.300 -0.078 0.000 0.864 481 R HN 0.134 nan 8.270 nan 0.000 0.440 482 I N 1.611 122.170 120.570 -0.019 0.000 2.179 482 I HA -0.262 3.907 4.170 -0.001 0.000 0.242 482 I C 1.893 178.067 176.117 0.095 0.000 1.088 482 I CA 1.654 62.957 61.300 0.004 0.000 1.357 482 I CB -0.860 37.106 38.000 -0.057 0.000 1.051 482 I HN 0.172 nan 8.210 nan 0.000 0.409 483 K N 1.034 121.525 120.400 0.151 0.000 2.097 483 K HA -0.072 4.248 4.320 -0.001 0.000 0.206 483 K C 2.175 178.809 176.600 0.057 0.000 1.049 483 K CA 1.463 57.820 56.287 0.116 0.000 0.933 483 K CB -0.240 32.323 32.500 0.104 0.000 0.717 483 K HN 0.275 nan 8.250 nan 0.000 0.442 484 A N 1.543 124.388 122.820 0.041 0.000 2.015 484 A HA -0.120 4.199 4.320 -0.001 0.000 0.219 484 A C 2.013 179.603 177.584 0.011 0.000 1.163 484 A CA 1.142 53.191 52.037 0.019 0.000 0.646 484 A CB -0.232 18.774 19.000 0.009 0.000 0.806 484 A HN 0.190 nan 8.150 nan 0.000 0.448 485 R N -0.938 119.568 120.500 0.010 0.000 2.140 485 R HA 0.049 4.388 4.340 -0.001 0.000 0.213 485 R C 2.344 178.651 176.300 0.011 0.000 1.059 485 R CA 0.944 57.045 56.100 0.002 0.000 1.000 485 R CB -0.245 30.049 30.300 -0.011 0.000 0.910 485 R HN 0.422 nan 8.270 nan 0.000 0.455 486 S N 0.921 116.636 115.700 0.026 0.000 2.407 486 S HA -0.160 4.309 4.470 -0.001 0.000 0.235 486 S C 1.507 176.121 174.600 0.022 0.000 1.036 486 S CA 1.361 59.580 58.200 0.032 0.000 1.013 486 S CB -0.140 63.091 63.200 0.051 0.000 0.820 486 S HN 0.321 nan 8.310 nan 0.000 0.476 487 R N 0.119 120.629 120.500 0.017 0.000 2.320 487 R HA 0.254 4.593 4.340 -0.001 0.000 0.211 487 R C 0.237 176.542 176.300 0.008 0.000 0.931 487 R CA 0.111 56.218 56.100 0.012 0.000 1.071 487 R CB -0.057 30.248 30.300 0.009 0.000 1.025 487 R HN 0.338 nan 8.270 nan 0.000 0.495 488 L N -0.445 120.783 121.223 0.008 0.000 2.397 488 L HA 0.531 4.870 4.340 -0.001 0.000 0.266 488 L C 0.642 177.516 176.870 0.007 0.000 1.040 488 L CA -0.958 53.885 54.840 0.005 0.000 0.800 488 L CB 0.684 42.744 42.059 0.001 0.000 1.324 488 L HN 0.017 nan 8.230 nan 0.000 0.469 489 A N 0.000 122.823 122.820 0.005 0.000 2.254 489 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 489 A CA 0.000 52.041 52.037 0.007 0.000 0.836 489 A CB 0.000 19.003 19.000 0.005 0.000 0.831 489 A HN 0.000 nan 8.150 nan 0.000 0.486