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 2ahv_1_B DATA FIRST_RESID 4 DATA SEQUENCE VKPPRINGRV PVLSAQEAVN YIPDEATLCV LGAGGGILEA TTLITALADK DATA SEQUENCE YKQTQTPRNL SIISPTGLGD RADRGISPLA QEGLVKWALC GHWGQSPRIS DATA SEQUENCE DLAEQNKIIA YNYPQGVLTQ TLRAAAAHQP GIISDIGIGT FVDPRQQGGK DATA SEQUENCE LNEVTKEDLI KLVEFDNKEY LYYKAIAPDI AFIRATTCDS EGYATFEDEV DATA SEQUENCE MYLDALVIAQ AVHNNGGIVM MQVQKMVKKA TLHPKSVRIP GYLVDIVVVD DATA SEQUENCE PDQSQLYGGA PVNRFISGDF TLDXXXXXXX PLNQRKLVAR RALFEMRKGA DATA SEQUENCE VGNVGVGIAD GIGLVAREEG CADDFILTVE TGPIGGITXX XXXXXANVNT DATA SEQUENCE RAILDMTSQF DFYHGGGLDV CYLSFAEVDQ HGNVGVHKFN GKIMGTGGFI DATA SEQUENCE DISATSKKII FCGTLTAGSL KTEIADGKLN IVQEGRVKKF IRELPEITFS DATA SEQUENCE GKIALERGLD VRYITERAVF TLKEDGLHLI EIAPGVDLQK DILDKMDFTP DATA SEQUENCE VISPELKLMD ERLFIDAAMG FVLPEA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 176.243 176.094 0.249 0.000 1.182 4 V CA 0.000 62.409 62.300 0.181 0.000 1.235 4 V CB 0.000 31.933 31.823 0.182 0.000 1.184 5 K N 2.038 122.512 120.400 0.123 0.000 2.427 5 K HA 0.916 5.236 4.320 -0.000 0.000 0.252 5 K C -2.986 173.593 176.600 -0.036 0.000 0.931 5 K CA -1.677 54.584 56.287 -0.044 0.000 0.793 5 K CB 2.895 35.356 32.500 -0.065 0.000 1.211 5 K HN 0.312 nan 8.250 nan 0.000 0.426 6 P HA 0.136 nan 4.420 nan 0.000 0.268 6 P C -2.388 174.900 177.300 -0.020 0.000 1.204 6 P CA -0.859 62.218 63.100 -0.038 0.000 0.768 6 P CB -0.138 31.504 31.700 -0.097 0.000 0.842 7 P HA 0.169 nan 4.420 nan 0.000 0.271 7 P C -0.251 177.058 177.300 0.014 0.000 1.218 7 P CA -0.096 63.016 63.100 0.019 0.000 0.780 7 P CB 0.820 32.537 31.700 0.029 0.000 0.901 8 R N 2.690 123.201 120.500 0.017 0.000 2.272 8 R HA 0.252 4.592 4.340 -0.000 0.000 0.334 8 R C 0.183 176.497 176.300 0.023 0.000 1.117 8 R CA -0.593 55.519 56.100 0.020 0.000 0.966 8 R CB -0.034 30.283 30.300 0.029 0.000 1.049 8 R HN 0.421 nan 8.270 nan 0.000 0.477 9 I N 4.303 124.886 120.570 0.021 0.000 2.505 9 I HA -0.075 4.095 4.170 -0.000 0.000 0.287 9 I C 0.504 176.634 176.117 0.022 0.000 1.104 9 I CA 0.104 61.417 61.300 0.021 0.000 1.387 9 I CB -0.064 37.948 38.000 0.020 0.000 1.404 9 I HN 0.720 nan 8.210 nan 0.000 0.528 10 N N 5.406 124.120 118.700 0.022 0.000 2.725 10 N HA -0.217 4.523 4.740 -0.000 0.000 0.249 10 N C 1.131 176.658 175.510 0.029 0.000 1.103 10 N CA 1.112 54.176 53.050 0.023 0.000 0.707 10 N CB -1.147 37.352 38.487 0.019 0.000 1.043 10 N HN 1.083 nan 8.380 nan 0.000 0.553 11 G N -0.862 107.959 108.800 0.034 0.000 2.179 11 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.260 11 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.260 11 G C 0.140 175.070 174.900 0.051 0.000 0.977 11 G CA 0.559 45.687 45.100 0.047 0.000 0.641 11 G HN 0.540 nan 8.290 nan 0.000 0.533 12 R N 0.181 120.703 120.500 0.038 0.000 2.340 12 R HA 0.447 4.786 4.340 -0.000 0.000 0.300 12 R C 0.514 176.830 176.300 0.026 0.000 1.069 12 R CA -0.260 55.860 56.100 0.034 0.000 0.984 12 R CB 1.875 32.190 30.300 0.025 0.000 1.003 12 R HN 0.206 nan 8.270 nan 0.000 0.459 13 V N 6.010 125.938 119.914 0.023 0.000 2.599 13 V HA 0.066 4.186 4.120 -0.000 0.000 0.300 13 V C -1.961 174.131 176.094 -0.003 0.000 1.034 13 V CA -1.580 60.723 62.300 0.005 0.000 1.115 13 V CB 0.700 32.519 31.823 -0.007 0.000 0.934 13 V HN 0.626 nan 8.190 nan 0.000 0.485 14 P HA 0.068 nan 4.420 nan 0.000 0.261 14 P C -0.932 176.357 177.300 -0.019 0.000 1.183 14 P CA 0.342 63.431 63.100 -0.018 0.000 0.761 14 P CB 0.352 32.024 31.700 -0.047 0.000 0.785 15 V N 5.890 125.801 119.914 -0.006 0.000 2.398 15 V HA 0.430 4.550 4.120 -0.000 0.000 0.286 15 V C 0.325 176.422 176.094 0.005 0.000 1.026 15 V CA -0.287 62.010 62.300 -0.005 0.000 0.868 15 V CB 1.043 32.864 31.823 -0.003 0.000 0.982 15 V HN 0.384 nan 8.190 nan 0.000 0.443 16 L N 3.206 124.432 121.223 0.004 0.000 2.376 16 L HA 0.604 4.944 4.340 -0.000 0.000 0.258 16 L C 0.379 177.257 176.870 0.013 0.000 1.013 16 L CA -0.670 54.184 54.840 0.023 0.000 0.822 16 L CB 2.729 44.816 42.059 0.048 0.000 1.388 16 L HN 0.720 nan 8.230 nan 0.000 0.413 17 S N 0.247 115.958 115.700 0.019 0.000 2.584 17 S HA 0.254 4.724 4.470 -0.000 0.000 0.270 17 S C 1.088 175.691 174.600 0.005 0.000 1.346 17 S CA 0.049 58.253 58.200 0.007 0.000 1.018 17 S CB 1.433 64.640 63.200 0.012 0.000 0.899 17 S HN 0.742 nan 8.310 nan 0.000 0.542 18 A N 1.292 124.100 122.820 -0.019 0.000 1.978 18 A HA -0.116 4.204 4.320 -0.000 0.000 0.220 18 A C 2.231 179.813 177.584 -0.004 0.000 1.170 18 A CA 1.777 53.789 52.037 -0.041 0.000 0.636 18 A CB -1.055 17.898 19.000 -0.078 0.000 0.810 18 A HN 0.843 nan 8.150 nan 0.000 0.448 19 Q N -0.036 119.771 119.800 0.011 0.000 2.050 19 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 19 Q C 1.888 177.919 176.000 0.052 0.000 0.980 19 Q CA 1.988 57.808 55.803 0.029 0.000 0.840 19 Q CB -0.350 28.401 28.738 0.021 0.000 0.898 19 Q HN 0.802 nan 8.270 nan 0.000 0.424 20 E N 0.116 120.353 120.200 0.061 0.000 2.153 20 E HA -0.147 4.203 4.350 -0.000 0.000 0.194 20 E C 1.852 178.567 176.600 0.192 0.000 0.988 20 E CA 0.855 57.315 56.400 0.099 0.000 0.811 20 E CB -0.166 29.595 29.700 0.103 0.000 0.746 20 E HN 0.389 nan 8.360 nan 0.000 0.466 21 A N 1.136 124.053 122.820 0.161 0.000 1.855 21 A HA -0.155 4.165 4.320 -0.000 0.000 0.215 21 A C 2.535 180.280 177.584 0.269 0.000 1.191 21 A CA 1.620 53.778 52.037 0.201 0.000 0.613 21 A CB -0.946 18.098 19.000 0.073 0.000 0.829 21 A HN 0.246 nan 8.150 nan 0.000 0.442 22 V N -1.633 118.391 119.914 0.183 0.000 2.913 22 V HA -0.180 3.940 4.120 -0.000 0.000 0.260 22 V C 1.628 177.828 176.094 0.177 0.000 1.098 22 V CA 2.198 64.626 62.300 0.214 0.000 1.121 22 V CB -1.272 30.660 31.823 0.182 0.000 0.714 22 V HN 0.413 nan 8.190 nan 0.000 0.487 23 N N 0.376 119.150 118.700 0.124 0.000 2.348 23 N HA -0.129 4.611 4.740 -0.000 0.000 0.185 23 N C 1.407 176.870 175.510 -0.077 0.000 1.019 23 N CA 1.705 54.753 53.050 -0.004 0.000 0.880 23 N CB -0.595 37.835 38.487 -0.095 0.000 0.965 23 N HN 0.739 nan 8.380 nan 0.000 0.437 24 Y N 0.403 120.743 120.300 0.065 0.000 2.583 24 Y HA 0.195 4.745 4.550 -0.000 0.000 0.293 24 Y C 0.611 176.546 175.900 0.058 0.000 1.157 24 Y CA -0.092 58.042 58.100 0.058 0.000 1.315 24 Y CB 0.049 38.545 38.460 0.060 0.000 1.021 24 Y HN -0.059 nan 8.280 nan 0.000 0.536 25 I N 4.245 124.924 120.570 0.181 0.000 2.379 25 I HA 0.105 4.275 4.170 -0.000 0.000 0.290 25 I C -2.012 174.150 176.117 0.076 0.000 1.063 25 I CA -1.902 59.471 61.300 0.122 0.000 1.351 25 I CB 0.474 38.548 38.000 0.123 0.000 1.410 25 I HN -0.087 nan 8.210 nan 0.000 0.505 26 P HA 0.220 nan 4.420 nan 0.000 0.280 26 P C -0.932 176.387 177.300 0.031 0.000 1.272 26 P CA -0.622 62.500 63.100 0.037 0.000 0.819 26 P CB 0.697 32.414 31.700 0.029 0.000 1.122 27 D N 0.525 120.943 120.400 0.030 0.000 2.506 27 D HA -0.040 4.600 4.640 -0.000 0.000 0.234 27 D C 0.706 177.012 176.300 0.010 0.000 1.143 27 D CA 0.821 54.838 54.000 0.029 0.000 0.871 27 D CB -0.124 40.695 40.800 0.031 0.000 1.190 27 D HN 0.463 nan 8.370 nan 0.000 0.459 28 E N -1.662 118.540 120.200 0.003 0.000 3.170 28 E HA -0.248 4.102 4.350 -0.000 0.000 0.284 28 E C -0.265 176.310 176.600 -0.042 0.000 0.967 28 E CA 0.544 56.932 56.400 -0.020 0.000 0.919 28 E CB -1.203 28.483 29.700 -0.023 0.000 1.469 28 E HN 0.550 nan 8.360 nan 0.000 0.444 29 A N 0.702 123.504 122.820 -0.031 0.000 2.425 29 A HA 0.343 4.663 4.320 -0.000 0.000 0.242 29 A C 0.526 178.069 177.584 -0.068 0.000 1.077 29 A CA 0.439 52.449 52.037 -0.045 0.000 0.781 29 A CB 0.549 19.534 19.000 -0.026 0.000 1.020 29 A HN 0.092 nan 8.150 nan 0.000 0.494 30 T N 2.415 116.917 114.554 -0.087 0.000 2.753 30 T HA 0.421 4.771 4.350 -0.000 0.000 0.297 30 T C -0.463 174.184 174.700 -0.088 0.000 0.981 30 T CA -0.049 61.995 62.100 -0.094 0.000 0.956 30 T CB 0.233 69.018 68.868 -0.139 0.000 0.936 30 T HN 0.511 nan 8.240 nan 0.000 0.463 31 L N 4.373 125.536 121.223 -0.101 0.000 2.264 31 L HA 0.617 4.957 4.340 -0.000 0.000 0.289 31 L C -0.438 176.339 176.870 -0.155 0.000 1.044 31 L CA -0.558 54.165 54.840 -0.195 0.000 0.807 31 L CB 0.665 42.540 42.059 -0.307 0.000 1.192 31 L HN 0.746 nan 8.230 nan 0.000 0.425 32 C N 5.764 124.973 119.300 -0.153 0.000 2.303 32 C HA 0.777 5.237 4.460 -0.000 0.000 0.326 32 C C -0.393 174.547 174.990 -0.083 0.000 1.285 32 C CA -0.504 58.465 59.018 -0.081 0.000 1.675 32 C CB 0.525 28.249 27.740 -0.027 0.000 2.289 32 C HN 0.653 nan 8.230 nan 0.000 0.512 33 V N 7.663 127.557 119.914 -0.033 0.000 2.378 33 V HA 0.357 4.477 4.120 -0.000 0.000 0.288 33 V C -0.006 176.133 176.094 0.075 0.000 1.016 33 V CA -0.525 61.802 62.300 0.044 0.000 0.840 33 V CB 1.196 33.051 31.823 0.053 0.000 0.994 33 V HN 0.821 nan 8.190 nan 0.000 0.431 34 L N 4.774 126.066 121.223 0.115 0.000 2.417 34 L HA 0.893 5.233 4.340 -0.000 0.000 0.268 34 L C 0.503 177.430 176.870 0.095 0.000 1.158 34 L CA 1.391 56.294 54.840 0.105 0.000 0.819 34 L CB 0.990 43.126 42.059 0.128 0.000 1.112 34 L HN 0.973 nan 8.230 nan 0.000 0.458 35 G N 2.245 111.090 108.800 0.076 0.000 2.326 35 G HA2 0.543 4.503 3.960 -0.000 0.000 0.413 35 G HA3 0.543 4.503 3.960 -0.000 0.000 0.413 35 G C -1.665 173.254 174.900 0.032 0.000 1.444 35 G CA -0.264 44.866 45.100 0.050 0.000 1.002 35 G HN 1.083 nan 8.290 nan 0.000 0.649 36 A N -0.612 122.208 122.820 -0.000 0.000 2.578 36 A HA 1.035 5.355 4.320 -0.000 0.000 0.255 36 A C 0.966 178.514 177.584 -0.059 0.000 1.251 36 A CA 0.337 52.367 52.037 -0.011 0.000 0.882 36 A CB 0.586 19.585 19.000 -0.002 0.000 1.416 36 A HN 2.445 nan 8.150 nan 0.000 0.462 37 G N -1.579 107.185 108.800 -0.060 0.000 2.484 37 G HA2 0.490 4.450 3.960 -0.000 0.000 0.235 37 G HA3 0.490 4.450 3.960 -0.000 0.000 0.235 37 G C 1.144 175.938 174.900 -0.176 0.000 1.282 37 G CA 0.662 45.716 45.100 -0.077 0.000 0.857 37 G HN 2.326 nan 8.290 nan 0.000 0.571 38 G N -0.441 108.215 108.800 -0.239 0.000 2.225 38 G HA2 0.190 4.150 3.960 -0.000 0.000 0.267 38 G HA3 0.190 4.150 3.960 -0.000 0.000 0.267 38 G C 1.412 175.708 174.900 -1.008 0.000 1.024 38 G CA 1.080 45.921 45.100 -0.431 0.000 0.784 38 G HN 2.625 nan 8.290 nan 0.000 0.507 39 G N -1.400 106.634 108.800 -1.277 0.000 2.175 39 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.244 39 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.244 39 G C 0.479 175.179 174.900 -0.333 0.000 0.982 39 G CA 0.157 44.684 45.100 -0.955 0.000 0.641 39 G HN 1.375 nan 8.290 nan 0.000 0.527 40 I N 1.462 121.884 120.570 -0.246 0.000 2.752 40 I HA 0.116 4.286 4.170 -0.000 0.000 0.286 40 I C 1.809 177.896 176.117 -0.051 0.000 1.180 40 I CA 0.380 61.614 61.300 -0.109 0.000 1.404 40 I CB 0.301 38.255 38.000 -0.077 0.000 1.389 40 I HN 0.288 nan 8.210 nan 0.000 0.549 41 L N 4.670 125.884 121.223 -0.015 0.000 3.839 41 L HA -0.237 4.103 4.340 -0.000 0.000 0.416 41 L C 0.664 177.554 176.870 0.034 0.000 1.195 41 L CA 0.510 55.370 54.840 0.033 0.000 0.946 41 L CB -1.027 41.093 42.059 0.101 0.000 1.891 41 L HN 0.720 nan 8.230 nan 0.000 0.963 42 E N 0.688 120.894 120.200 0.009 0.000 2.194 42 E HA 0.419 4.769 4.350 -0.000 0.000 0.284 42 E C 0.650 177.275 176.600 0.041 0.000 1.035 42 E CA 0.264 56.690 56.400 0.042 0.000 0.836 42 E CB 1.165 30.894 29.700 0.049 0.000 1.070 42 E HN 0.308 nan 8.360 nan 0.000 0.401 43 A N 4.550 127.398 122.820 0.046 0.000 3.052 43 A HA 0.055 4.375 4.320 -0.000 0.000 0.266 43 A C 1.159 178.716 177.584 -0.044 0.000 1.855 43 A CA -0.098 51.930 52.037 -0.016 0.000 1.473 43 A CB -0.532 18.443 19.000 -0.042 0.000 1.038 43 A HN 0.787 nan 8.150 nan 0.000 0.619 44 T N 0.564 115.122 114.554 0.007 0.000 2.720 44 T HA -0.204 4.146 4.350 -0.000 0.000 0.268 44 T C 2.324 177.003 174.700 -0.035 0.000 1.037 44 T CA 2.354 64.471 62.100 0.028 0.000 1.144 44 T CB -0.400 68.517 68.868 0.082 0.000 0.864 44 T HN 0.906 nan 8.240 nan 0.000 0.444 45 T N 0.911 115.424 114.554 -0.069 0.000 2.833 45 T HA 0.031 4.381 4.350 -0.000 0.000 0.269 45 T C 1.977 176.580 174.700 -0.161 0.000 1.054 45 T CA 0.800 62.847 62.100 -0.088 0.000 1.135 45 T CB -0.610 68.212 68.868 -0.077 0.000 0.869 45 T HN 0.302 nan 8.240 nan 0.000 0.466 46 L N -0.214 120.822 121.223 -0.312 0.000 2.131 46 L HA 0.200 4.540 4.340 -0.000 0.000 0.206 46 L C 2.710 179.289 176.870 -0.484 0.000 1.087 46 L CA 0.814 55.272 54.840 -0.636 0.000 0.767 46 L CB -0.383 40.880 42.059 -1.327 0.000 0.917 46 L HN 0.238 nan 8.230 nan 0.000 0.441 47 I N -0.656 119.789 120.570 -0.208 0.000 2.179 47 I HA -0.277 3.893 4.170 -0.000 0.000 0.242 47 I C 2.496 178.653 176.117 0.066 0.000 1.088 47 I CA 1.464 62.822 61.300 0.098 0.000 1.357 47 I CB -0.552 37.530 38.000 0.136 0.000 1.051 47 I HN 0.202 nan 8.210 nan 0.000 0.409 48 T N 0.734 115.294 114.554 0.011 0.000 2.684 48 T HA -0.193 4.157 4.350 -0.000 0.000 0.267 48 T C 2.018 176.732 174.700 0.024 0.000 1.036 48 T CA 1.667 63.777 62.100 0.016 0.000 1.148 48 T CB -0.302 68.563 68.868 -0.005 0.000 0.863 48 T HN 0.493 nan 8.240 nan 0.000 0.436 49 A N 0.933 123.753 122.820 -0.000 0.000 1.930 49 A HA 0.052 4.372 4.320 -0.000 0.000 0.217 49 A C 2.212 179.837 177.584 0.068 0.000 1.175 49 A CA 1.068 53.115 52.037 0.018 0.000 0.627 49 A CB -0.704 18.288 19.000 -0.013 0.000 0.815 49 A HN 0.402 nan 8.150 nan 0.000 0.443 50 L N -0.028 121.259 121.223 0.106 0.000 2.017 50 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 50 L C 2.651 179.614 176.870 0.156 0.000 1.073 50 L CA 2.271 57.216 54.840 0.175 0.000 0.745 50 L CB -0.927 41.305 42.059 0.288 0.000 0.894 50 L HN 0.333 nan 8.230 nan 0.000 0.432 51 A N -0.815 122.084 122.820 0.132 0.000 1.908 51 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 51 A C 1.985 179.647 177.584 0.130 0.000 1.181 51 A CA 1.929 54.041 52.037 0.125 0.000 0.627 51 A CB -0.875 18.180 19.000 0.092 0.000 0.818 51 A HN 0.544 nan 8.150 nan 0.000 0.445 52 D N -0.467 119.989 120.400 0.093 0.000 2.117 52 D HA -0.129 4.511 4.640 -0.000 0.000 0.197 52 D C 1.892 178.239 176.300 0.079 0.000 0.987 52 D CA 1.301 55.343 54.000 0.071 0.000 0.829 52 D CB -0.262 40.565 40.800 0.045 0.000 0.961 52 D HN 0.479 nan 8.370 nan 0.000 0.460 53 K N -0.409 120.049 120.400 0.097 0.000 2.032 53 K HA -0.205 4.115 4.320 -0.000 0.000 0.209 53 K C 2.216 178.879 176.600 0.105 0.000 1.048 53 K CA 1.019 57.361 56.287 0.092 0.000 0.927 53 K CB -0.259 32.306 32.500 0.109 0.000 0.712 53 K HN 0.176 nan 8.250 nan 0.000 0.441 54 Y N 1.356 121.679 120.300 0.038 0.000 2.263 54 Y HA -0.165 4.385 4.550 -0.000 0.000 0.292 54 Y C 2.277 178.193 175.900 0.028 0.000 1.130 54 Y CA 1.704 59.825 58.100 0.035 0.000 1.179 54 Y CB 0.045 38.530 38.460 0.042 0.000 0.998 54 Y HN -0.025 nan 8.280 nan 0.000 0.532 55 K N -0.188 120.270 120.400 0.096 0.000 2.097 55 K HA -0.225 4.095 4.320 -0.000 0.000 0.206 55 K C 1.921 178.491 176.600 -0.051 0.000 1.049 55 K CA 2.044 58.347 56.287 0.026 0.000 0.933 55 K CB -0.023 32.515 32.500 0.064 0.000 0.717 55 K HN 0.469 nan 8.250 nan 0.000 0.442 56 Q N -1.608 118.168 119.800 -0.041 0.000 2.297 56 Q HA -0.014 4.326 4.340 -0.000 0.000 0.203 56 Q C 1.475 177.429 176.000 -0.077 0.000 0.931 56 Q CA 1.434 57.210 55.803 -0.045 0.000 0.885 56 Q CB 0.832 29.561 28.738 -0.015 0.000 0.991 56 Q HN 0.416 nan 8.270 nan 0.000 0.498 57 T N -4.455 110.035 114.554 -0.107 0.000 2.975 57 T HA 0.120 4.470 4.350 -0.000 0.000 0.261 57 T C 0.303 174.887 174.700 -0.192 0.000 0.984 57 T CA -0.099 61.936 62.100 -0.108 0.000 0.911 57 T CB 0.529 69.368 68.868 -0.049 0.000 1.127 57 T HN -0.029 nan 8.240 nan 0.000 0.514 58 Q N 1.579 121.129 119.800 -0.416 0.000 2.481 58 Q HA -0.132 4.208 4.340 -0.000 0.000 0.258 58 Q C 0.056 175.877 176.000 -0.298 0.000 0.961 58 Q CA 1.519 56.870 55.803 -0.753 0.000 1.121 58 Q CB -2.625 25.854 28.738 -0.431 0.000 1.503 58 Q HN 0.970 nan 8.270 nan 0.000 0.544 59 T N -3.681 110.854 114.554 -0.031 0.000 2.906 59 T HA 0.835 5.185 4.350 -0.000 0.000 0.295 59 T C -2.791 172.074 174.700 0.274 0.000 1.061 59 T CA -1.988 60.220 62.100 0.179 0.000 1.000 59 T CB 3.296 72.208 68.868 0.073 0.000 1.103 59 T HN -0.151 nan 8.240 nan 0.000 0.486 60 P HA 0.429 nan 4.420 nan 0.000 0.277 60 P C -0.835 176.590 177.300 0.207 0.000 1.271 60 P CA -0.757 62.445 63.100 0.170 0.000 0.795 60 P CB 0.864 32.625 31.700 0.102 0.000 1.101 61 R N 0.261 120.843 120.500 0.136 0.000 2.711 61 R HA 0.347 4.687 4.340 -0.000 0.000 0.284 61 R C -0.085 176.245 176.300 0.049 0.000 0.968 61 R CA -0.742 55.432 56.100 0.124 0.000 0.924 61 R CB 0.698 31.083 30.300 0.143 0.000 1.162 61 R HN 0.462 nan 8.270 nan 0.000 0.465 62 N N 0.891 119.606 118.700 0.024 0.000 2.754 62 N HA -0.169 4.571 4.740 -0.000 0.000 0.248 62 N C -0.486 175.037 175.510 0.021 0.000 1.093 62 N CA 0.691 53.758 53.050 0.028 0.000 0.699 62 N CB -1.218 37.293 38.487 0.040 0.000 1.016 62 N HN 0.512 nan 8.380 nan 0.000 0.552 63 L N 0.102 121.327 121.223 0.003 0.000 2.452 63 L HA 0.180 4.520 4.340 -0.000 0.000 0.267 63 L C 1.006 177.911 176.870 0.058 0.000 1.188 63 L CA 0.186 55.028 54.840 0.004 0.000 0.821 63 L CB 0.559 42.605 42.059 -0.021 0.000 1.102 63 L HN 0.012 nan 8.230 nan 0.000 0.470 64 S N 2.423 118.154 115.700 0.052 0.000 2.462 64 S HA 0.547 5.017 4.470 -0.000 0.000 0.294 64 S C -0.292 174.414 174.600 0.176 0.000 1.144 64 S CA -0.554 57.761 58.200 0.192 0.000 1.088 64 S CB 1.238 64.418 63.200 -0.034 0.000 1.009 64 S HN 0.220 nan 8.310 nan 0.000 0.484 65 I N 3.699 124.430 120.570 0.267 0.000 2.354 65 I HA 0.446 4.616 4.170 -0.000 0.000 0.292 65 I C -0.289 175.921 176.117 0.154 0.000 0.989 65 I CA -0.679 60.690 61.300 0.114 0.000 1.188 65 I CB 1.149 39.157 38.000 0.013 0.000 1.342 65 I HN 0.551 nan 8.210 nan 0.000 0.457 66 I N 4.442 125.058 120.570 0.076 0.000 2.362 66 I HA 0.260 4.430 4.170 -0.000 0.000 0.289 66 I C 0.158 176.257 176.117 -0.030 0.000 0.994 66 I CA -0.333 60.993 61.300 0.044 0.000 1.158 66 I CB 1.835 39.876 38.000 0.067 0.000 1.315 66 I HN 0.485 nan 8.210 nan 0.000 0.451 67 S N 7.698 123.352 115.700 -0.077 0.000 2.653 67 S HA 0.415 4.885 4.470 -0.000 0.000 0.272 67 S C -1.872 172.697 174.600 -0.052 0.000 1.221 67 S CA -1.544 56.609 58.200 -0.078 0.000 1.149 67 S CB 0.988 64.099 63.200 -0.148 0.000 1.029 67 S HN 0.292 nan 8.310 nan 0.000 0.481 68 P HA -0.057 nan 4.420 nan 0.000 0.216 68 P C 0.658 177.980 177.300 0.037 0.000 1.154 68 P CA 1.241 64.351 63.100 0.016 0.000 0.865 68 P CB 0.216 31.938 31.700 0.036 0.000 0.789 69 T N -3.111 111.469 114.554 0.044 0.000 2.716 69 T HA 0.636 4.986 4.350 -0.000 0.000 0.286 69 T C -0.663 174.068 174.700 0.051 0.000 1.052 69 T CA -0.732 61.412 62.100 0.074 0.000 1.024 69 T CB 0.936 69.865 68.868 0.101 0.000 1.349 69 T HN -0.128 nan 8.240 nan 0.000 0.525 70 G N 1.869 110.718 108.800 0.082 0.000 2.351 70 G HA2 0.536 4.496 3.960 -0.000 0.000 0.287 70 G HA3 0.536 4.496 3.960 -0.000 0.000 0.287 70 G C -0.821 174.108 174.900 0.048 0.000 1.159 70 G CA -0.222 44.938 45.100 0.099 0.000 0.929 70 G HN 0.527 nan 8.290 nan 0.000 0.435 71 L N 2.048 123.300 121.223 0.048 0.000 2.379 71 L HA 0.813 5.153 4.340 -0.000 0.000 0.269 71 L C 0.991 177.927 176.870 0.109 0.000 1.084 71 L CA 1.208 56.083 54.840 0.059 0.000 0.802 71 L CB 1.360 43.462 42.059 0.071 0.000 1.175 71 L HN 1.040 nan 8.230 nan 0.000 0.448 72 G N 1.545 110.439 108.800 0.157 0.000 2.362 72 G HA2 -0.033 3.926 3.960 -0.000 0.000 0.517 72 G HA3 -0.033 3.926 3.960 -0.000 0.000 0.517 72 G C -0.773 174.322 174.900 0.326 0.000 1.256 72 G CA -0.040 45.246 45.100 0.309 0.000 1.027 72 G HN 0.740 nan 8.290 nan 0.000 0.491 73 D N -0.849 119.724 120.400 0.289 0.000 2.538 73 D HA 0.261 4.900 4.640 -0.000 0.000 0.231 73 D C 0.946 177.325 176.300 0.132 0.000 1.229 73 D CA -0.155 53.977 54.000 0.221 0.000 0.828 73 D CB -0.107 40.810 40.800 0.194 0.000 1.035 73 D HN 0.920 nan 8.370 nan 0.000 0.495 74 R N -0.849 119.727 120.500 0.127 0.000 3.531 74 R HA -0.100 4.239 4.340 -0.000 0.000 0.280 74 R C 0.196 176.542 176.300 0.077 0.000 1.130 74 R CA 0.770 56.934 56.100 0.108 0.000 0.757 74 R CB -2.180 28.184 30.300 0.106 0.000 1.218 74 R HN 0.465 nan 8.270 nan 0.000 0.454 75 A N -0.618 122.244 122.820 0.069 0.000 2.493 75 A HA 0.300 4.620 4.320 -0.000 0.000 0.165 75 A C -0.303 177.301 177.584 0.034 0.000 1.265 75 A CA -0.265 51.797 52.037 0.042 0.000 2.312 75 A CB 0.310 19.327 19.000 0.029 0.000 2.748 75 A HN 0.071 nan 8.150 nan 0.000 1.115 76 D N 0.533 120.941 120.400 0.012 0.000 2.369 76 D HA 0.213 4.853 4.640 -0.000 0.000 0.211 76 D C 0.758 177.052 176.300 -0.010 0.000 1.077 76 D CA 0.120 54.122 54.000 0.004 0.000 0.842 76 D CB 0.456 41.252 40.800 -0.006 0.000 0.947 76 D HN 0.284 nan 8.370 nan 0.000 0.509 77 R N 0.063 120.551 120.500 -0.020 0.000 2.523 77 R HA 0.499 4.839 4.340 -0.000 0.000 0.223 77 R C 1.206 177.554 176.300 0.082 0.000 1.280 77 R CA -0.084 55.992 56.100 -0.040 0.000 1.047 77 R CB -0.021 30.128 30.300 -0.251 0.000 1.650 77 R HN 0.018 nan 8.270 nan 0.000 0.545 78 G N 0.997 109.910 108.800 0.187 0.000 2.561 78 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.289 78 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.289 78 G C 0.650 175.621 174.900 0.118 0.000 1.169 78 G CA 0.566 45.779 45.100 0.189 0.000 0.980 78 G HN 0.717 nan 8.290 nan 0.000 0.550 79 I N -1.821 118.797 120.570 0.079 0.000 3.875 79 I HA 0.418 4.588 4.170 -0.000 0.000 0.329 79 I C 2.167 178.308 176.117 0.040 0.000 1.295 79 I CA 1.140 62.474 61.300 0.056 0.000 1.129 79 I CB 0.479 38.490 38.000 0.018 0.000 1.008 79 I HN 0.252 nan 8.210 nan 0.000 0.413 80 S N 2.596 118.323 115.700 0.045 0.000 2.372 80 S HA -0.103 4.367 4.470 -0.000 0.000 0.227 80 S C -0.349 174.274 174.600 0.037 0.000 1.044 80 S CA 2.071 60.295 58.200 0.039 0.000 1.050 80 S CB -1.256 61.968 63.200 0.040 0.000 0.901 80 S HN 0.433 nan 8.310 nan 0.000 0.447 81 P HA -0.064 nan 4.420 nan 0.000 0.220 81 P C 0.869 178.197 177.300 0.047 0.000 1.144 81 P CA 0.931 64.058 63.100 0.045 0.000 0.800 81 P CB -0.142 31.588 31.700 0.050 0.000 0.772 82 L N -2.062 119.184 121.223 0.037 0.000 2.591 82 L HA 0.136 4.476 4.340 -0.000 0.000 0.228 82 L C 1.740 178.597 176.870 -0.022 0.000 1.133 82 L CA 0.151 54.997 54.840 0.009 0.000 0.880 82 L CB -0.603 41.465 42.059 0.015 0.000 1.033 82 L HN -0.093 nan 8.230 nan 0.000 0.450 83 A N -0.239 122.584 122.820 0.005 0.000 2.310 83 A HA 0.081 4.401 4.320 -0.000 0.000 0.230 83 A C 0.649 178.239 177.584 0.010 0.000 1.294 83 A CA -0.164 51.878 52.037 0.009 0.000 0.898 83 A CB -0.509 18.510 19.000 0.030 0.000 0.917 83 A HN 0.384 nan 8.150 nan 0.000 0.491 84 Q N 1.075 120.871 119.800 -0.007 0.000 2.304 84 Q HA 0.163 4.503 4.340 -0.000 0.000 0.260 84 Q C -0.479 175.523 176.000 0.004 0.000 0.965 84 Q CA -0.119 55.713 55.803 0.048 0.000 0.898 84 Q CB 0.821 29.655 28.738 0.159 0.000 1.196 84 Q HN 0.502 nan 8.270 nan 0.000 0.402 85 E N 0.737 120.993 120.200 0.094 0.000 2.417 85 E HA 0.035 4.385 4.350 -0.000 0.000 0.261 85 E C 0.666 177.346 176.600 0.132 0.000 1.000 85 E CA 0.746 57.196 56.400 0.083 0.000 0.919 85 E CB 0.417 30.170 29.700 0.088 0.000 0.955 85 E HN 0.974 nan 8.360 nan 0.000 0.455 86 G N 2.640 111.470 108.800 0.050 0.000 2.234 86 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.235 86 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.235 86 G C 0.637 175.467 174.900 -0.117 0.000 0.997 86 G CA 0.310 45.462 45.100 0.086 0.000 0.623 86 G HN 0.505 nan 8.290 nan 0.000 0.514 87 L N 0.919 121.822 121.223 -0.533 0.000 2.068 87 L HA 0.504 4.844 4.340 -0.000 0.000 0.204 87 L C 1.266 177.992 176.870 -0.240 0.000 1.076 87 L CA 1.504 55.933 54.840 -0.685 0.000 0.753 87 L CB 0.032 41.505 42.059 -0.976 0.000 0.910 87 L HN 0.212 nan 8.230 nan 0.000 0.439 88 V N 0.899 120.727 119.914 -0.143 0.000 2.435 88 V HA 0.239 4.359 4.120 -0.000 0.000 0.290 88 V C 0.781 176.899 176.094 0.039 0.000 1.030 88 V CA -0.275 62.012 62.300 -0.021 0.000 0.881 88 V CB 1.305 33.128 31.823 0.001 0.000 0.983 88 V HN 0.411 nan 8.190 nan 0.000 0.445 89 K N 3.194 123.657 120.400 0.105 0.000 2.399 89 K HA 0.147 4.467 4.320 -0.000 0.000 0.196 89 K C -0.214 176.541 176.600 0.258 0.000 1.103 89 K CA -0.167 56.209 56.287 0.148 0.000 0.986 89 K CB 0.964 33.543 32.500 0.133 0.000 0.952 89 K HN 0.587 nan 8.250 nan 0.000 0.541 90 W N 0.430 121.763 121.300 0.055 0.000 3.439 90 W HA 0.530 5.190 4.660 -0.000 0.000 0.323 90 W C -2.179 174.408 176.519 0.114 0.000 1.174 90 W CA -0.252 57.152 57.345 0.099 0.000 1.224 90 W CB 1.911 31.427 29.460 0.094 0.000 1.348 90 W HN 0.040 nan 8.180 nan 0.000 0.498 91 A N 5.023 127.779 122.820 -0.107 0.000 2.486 91 A HA 0.799 5.119 4.320 -0.000 0.000 0.300 91 A C -2.532 174.856 177.584 -0.328 0.000 1.048 91 A CA -0.718 51.265 52.037 -0.090 0.000 0.696 91 A CB 1.774 20.788 19.000 0.024 0.000 1.278 91 A HN 0.974 nan 8.150 nan 0.000 0.405 92 L N 2.176 123.237 121.223 -0.270 0.000 2.406 92 L HA 0.758 5.098 4.340 -0.000 0.000 0.270 92 L C -1.179 175.620 176.870 -0.119 0.000 0.982 92 L CA -0.123 54.620 54.840 -0.162 0.000 0.843 92 L CB 0.959 42.840 42.059 -0.297 0.000 1.225 92 L HN 0.732 nan 8.230 nan 0.000 0.412 93 C N 2.369 121.623 119.300 -0.078 0.000 2.802 93 C HA 0.687 5.147 4.460 -0.000 0.000 0.307 93 C C 1.513 176.525 174.990 0.036 0.000 1.222 93 C CA -0.249 58.620 59.018 -0.249 0.000 1.580 93 C CB 1.574 28.772 27.740 -0.904 0.000 2.119 93 C HN 0.965 nan 8.230 nan 0.000 0.479 94 G N -0.635 108.195 108.800 0.050 0.000 2.511 94 G HA2 0.064 4.024 3.960 -0.000 0.000 0.217 94 G HA3 0.064 4.024 3.960 -0.000 0.000 0.217 94 G C 0.439 175.515 174.900 0.294 0.000 1.133 94 G CA 0.795 46.001 45.100 0.176 0.000 0.792 94 G HN 0.818 nan 8.290 nan 0.000 0.539 95 H N -2.618 116.503 119.070 0.084 0.000 2.974 95 H HA 0.250 4.806 4.556 -0.000 0.000 0.366 95 H C -0.888 174.439 175.328 -0.002 0.000 1.155 95 H CA -0.815 55.327 56.048 0.158 0.000 1.186 95 H CB 1.579 31.424 29.762 0.137 0.000 1.799 95 H HN 0.054 nan 8.280 nan 0.000 0.541 96 W N 1.627 122.703 121.300 -0.374 0.000 2.904 96 W HA 0.253 4.913 4.660 -0.000 0.000 0.265 96 W C 2.080 178.512 176.519 -0.145 0.000 1.138 96 W CA 0.710 57.950 57.345 -0.174 0.000 1.455 96 W CB 0.476 29.847 29.460 -0.148 0.000 0.924 96 W HN 0.772 nan 8.180 nan 0.000 0.619 97 G N -0.255 108.483 108.800 -0.104 0.000 2.650 97 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.214 97 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.214 97 G C 1.286 176.325 174.900 0.232 0.000 1.136 97 G CA 0.644 45.801 45.100 0.095 0.000 0.789 97 G HN 0.127 nan 8.290 nan 0.000 0.536 98 Q N 0.493 120.502 119.800 0.349 0.000 2.245 98 Q HA 0.130 4.470 4.340 -0.000 0.000 0.201 98 Q C 0.857 176.950 176.000 0.155 0.000 0.955 98 Q CA 0.569 56.522 55.803 0.249 0.000 0.870 98 Q CB 0.157 29.030 28.738 0.225 0.000 0.945 98 Q HN 0.258 nan 8.270 nan 0.000 0.461 99 S N 1.562 117.334 115.700 0.120 0.000 2.328 99 S HA 0.249 4.719 4.470 -0.000 0.000 0.204 99 S C -2.191 172.456 174.600 0.079 0.000 1.475 99 S CA -1.118 57.130 58.200 0.080 0.000 1.148 99 S CB 1.257 64.480 63.200 0.039 0.000 1.077 99 S HN 0.253 nan 8.310 nan 0.000 0.479 100 P HA -0.047 nan 4.420 nan 0.000 0.223 100 P C 1.216 178.555 177.300 0.064 0.000 1.151 100 P CA 0.630 63.772 63.100 0.071 0.000 0.787 100 P CB 0.347 32.077 31.700 0.049 0.000 0.788 101 R N -0.322 120.211 120.500 0.056 0.000 2.120 101 R HA -0.014 4.326 4.340 -0.000 0.000 0.234 101 R C 2.360 178.699 176.300 0.066 0.000 1.123 101 R CA 1.033 57.163 56.100 0.049 0.000 0.975 101 R CB -1.152 29.172 30.300 0.040 0.000 0.866 101 R HN 0.199 nan 8.270 nan 0.000 0.446 102 I N 0.085 120.704 120.570 0.083 0.000 2.286 102 I HA -0.175 3.995 4.170 -0.000 0.000 0.245 102 I C 1.931 178.201 176.117 0.254 0.000 1.104 102 I CA 1.528 62.901 61.300 0.122 0.000 1.397 102 I CB -1.083 36.940 38.000 0.039 0.000 1.072 102 I HN 0.206 nan 8.210 nan 0.000 0.417 103 S N 0.215 116.090 115.700 0.292 0.000 2.428 103 S HA -0.136 4.334 4.470 -0.000 0.000 0.230 103 S C 1.524 176.168 174.600 0.074 0.000 1.014 103 S CA 0.804 59.184 58.200 0.299 0.000 0.957 103 S CB -0.357 63.020 63.200 0.295 0.000 0.784 103 S HN 0.307 nan 8.310 nan 0.000 0.499 104 D N 2.189 122.622 120.400 0.055 0.000 2.123 104 D HA -0.026 4.614 4.640 -0.000 0.000 0.196 104 D C 1.908 178.210 176.300 0.004 0.000 0.992 104 D CA 0.979 54.985 54.000 0.009 0.000 0.833 104 D CB -0.465 40.343 40.800 0.014 0.000 0.954 104 D HN 0.363 nan 8.370 nan 0.000 0.455 105 L N 0.426 121.670 121.223 0.036 0.000 2.046 105 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 105 L C 2.484 179.350 176.870 -0.006 0.000 1.077 105 L CA 1.183 56.039 54.840 0.027 0.000 0.747 105 L CB -0.406 41.686 42.059 0.056 0.000 0.896 105 L HN 0.001 nan 8.230 nan 0.000 0.432 106 A N -0.072 122.738 122.820 -0.017 0.000 1.873 106 A HA -0.223 4.096 4.320 -0.000 0.000 0.215 106 A C 2.120 179.605 177.584 -0.164 0.000 1.186 106 A CA 1.619 53.571 52.037 -0.141 0.000 0.616 106 A CB -0.468 18.331 19.000 -0.335 0.000 0.823 106 A HN 0.422 nan 8.150 nan 0.000 0.442 107 E N -0.361 119.755 120.200 -0.141 0.000 2.118 107 E HA -0.233 4.117 4.350 -0.000 0.000 0.195 107 E C 1.685 178.226 176.600 -0.097 0.000 0.992 107 E CA 1.497 57.818 56.400 -0.132 0.000 0.804 107 E CB -0.141 29.491 29.700 -0.114 0.000 0.741 107 E HN 0.740 nan 8.360 nan 0.000 0.458 108 Q N 0.090 119.849 119.800 -0.069 0.000 2.280 108 Q HA 0.110 4.450 4.340 -0.000 0.000 0.202 108 Q C -0.337 175.635 176.000 -0.046 0.000 0.903 108 Q CA -0.225 55.549 55.803 -0.049 0.000 0.948 108 Q CB 0.418 29.139 28.738 -0.029 0.000 1.058 108 Q HN 0.184 nan 8.270 nan 0.000 0.493 109 N N 0.711 119.372 118.700 -0.065 0.000 2.735 109 N HA -0.198 4.542 4.740 -0.000 0.000 0.248 109 N C 0.186 175.675 175.510 -0.035 0.000 1.083 109 N CA 0.699 53.712 53.050 -0.062 0.000 0.703 109 N CB -0.278 38.176 38.487 -0.055 0.000 1.005 109 N HN 0.358 nan 8.380 nan 0.000 0.550 110 K N -0.065 120.321 120.400 -0.024 0.000 2.323 110 K HA 0.156 4.476 4.320 -0.000 0.000 0.197 110 K C 1.321 177.929 176.600 0.013 0.000 1.043 110 K CA 0.647 56.935 56.287 0.001 0.000 0.997 110 K CB 0.615 33.121 32.500 0.010 0.000 0.807 110 K HN 0.577 nan 8.250 nan 0.000 0.497 111 I N -2.257 118.314 120.570 0.001 0.000 2.865 111 I HA 0.422 4.592 4.170 -0.000 0.000 0.302 111 I C -0.517 175.578 176.117 -0.038 0.000 1.140 111 I CA -1.306 60.007 61.300 0.021 0.000 1.021 111 I CB 1.709 39.746 38.000 0.062 0.000 1.233 111 I HN -0.285 nan 8.210 nan 0.000 0.427 112 I N 3.661 124.218 120.570 -0.021 0.000 2.556 112 I HA 0.484 4.654 4.170 -0.000 0.000 0.284 112 I C 0.371 176.281 176.117 -0.345 0.000 1.114 112 I CA 0.231 61.434 61.300 -0.163 0.000 1.418 112 I CB 1.148 39.157 38.000 0.014 0.000 1.394 112 I HN 0.786 nan 8.210 nan 0.000 0.552 113 A N 6.953 129.465 122.820 -0.514 0.000 2.402 113 A HA 0.724 5.044 4.320 -0.000 0.000 0.291 113 A C -1.443 175.796 177.584 -0.574 0.000 1.051 113 A CA -0.377 51.394 52.037 -0.444 0.000 0.716 113 A CB 0.598 19.277 19.000 -0.535 0.000 1.223 113 A HN 0.569 nan 8.150 nan 0.000 0.425 114 Y N 0.672 120.880 120.300 -0.153 0.000 2.524 114 Y HA 0.547 5.097 4.550 -0.000 0.000 0.344 114 Y C 0.442 176.474 175.900 0.221 0.000 1.012 114 Y CA -0.684 57.396 58.100 -0.033 0.000 1.068 114 Y CB 2.346 40.729 38.460 -0.128 0.000 1.249 114 Y HN 0.742 nan 8.280 nan 0.000 0.468 115 N N 1.696 120.669 118.700 0.455 0.000 2.623 115 N HA 0.246 4.986 4.740 -0.000 0.000 0.256 115 N C -1.706 174.088 175.510 0.473 0.000 1.045 115 N CA -0.425 52.943 53.050 0.531 0.000 0.863 115 N CB 0.515 39.346 38.487 0.573 0.000 1.182 115 N HN 0.443 nan 8.380 nan 0.000 0.523 116 Y N 2.145 122.570 120.300 0.208 0.000 2.336 116 Y HA 0.291 4.841 4.550 -0.000 0.000 0.331 116 Y C -1.823 174.116 175.900 0.065 0.000 1.211 116 Y CA -2.332 55.836 58.100 0.114 0.000 1.346 116 Y CB 0.099 38.575 38.460 0.026 0.000 1.271 116 Y HN 0.470 nan 8.280 nan 0.000 0.538 117 P HA -0.044 nan 4.420 nan 0.000 0.264 117 P C 0.674 177.963 177.300 -0.018 0.000 1.183 117 P CA 0.304 63.448 63.100 0.073 0.000 0.763 117 P CB 0.519 32.216 31.700 -0.006 0.000 0.807 118 Q N 3.028 122.809 119.800 -0.032 0.000 2.062 118 Q HA -0.238 4.102 4.340 -0.000 0.000 0.209 118 Q C 2.109 177.809 176.000 -0.500 0.000 0.996 118 Q CA 2.580 58.281 55.803 -0.170 0.000 0.859 118 Q CB -0.898 27.782 28.738 -0.096 0.000 0.920 118 Q HN 0.690 nan 8.270 nan 0.000 0.415 119 G N -0.404 107.772 108.800 -1.040 0.000 2.421 119 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.216 119 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.216 119 G C 1.430 176.129 174.900 -0.335 0.000 1.171 119 G CA 1.020 45.418 45.100 -1.171 0.000 0.775 119 G HN 0.323 nan 8.290 nan 0.000 0.543 120 V N 0.769 120.573 119.914 -0.185 0.000 2.332 120 V HA -0.155 3.965 4.120 -0.000 0.000 0.248 120 V C 2.702 178.691 176.094 -0.174 0.000 1.055 120 V CA 1.678 63.829 62.300 -0.248 0.000 1.038 120 V CB -0.496 30.893 31.823 -0.723 0.000 0.651 120 V HN 0.354 nan 8.190 nan 0.000 0.450 121 L N 0.088 121.268 121.223 -0.072 0.000 2.012 121 L HA -0.175 4.164 4.340 -0.000 0.000 0.210 121 L C 2.588 179.469 176.870 0.019 0.000 1.073 121 L CA 2.797 57.684 54.840 0.077 0.000 0.748 121 L CB -1.183 40.919 42.059 0.071 0.000 0.891 121 L HN 0.403 nan 8.230 nan 0.000 0.431 122 T N -1.639 112.896 114.554 -0.031 0.000 2.821 122 T HA -0.196 4.154 4.350 -0.000 0.000 0.267 122 T C 1.845 176.548 174.700 0.004 0.000 1.046 122 T CA 1.615 63.715 62.100 -0.000 0.000 1.139 122 T CB -0.090 68.792 68.868 0.023 0.000 0.871 122 T HN 0.560 nan 8.240 nan 0.000 0.454 123 Q N 0.267 120.057 119.800 -0.017 0.000 2.135 123 Q HA -0.107 4.233 4.340 -0.000 0.000 0.204 123 Q C 2.637 178.640 176.000 0.005 0.000 0.981 123 Q CA 2.043 57.843 55.803 -0.005 0.000 0.856 123 Q CB -0.380 28.354 28.738 -0.007 0.000 0.902 123 Q HN 0.743 nan 8.270 nan 0.000 0.425 124 T N -1.115 113.446 114.554 0.011 0.000 2.915 124 T HA -0.057 4.293 4.350 -0.000 0.000 0.269 124 T C 1.818 176.549 174.700 0.052 0.000 1.071 124 T CA 0.624 62.750 62.100 0.044 0.000 1.132 124 T CB -0.223 68.721 68.868 0.127 0.000 0.878 124 T HN 0.135 nan 8.240 nan 0.000 0.479 125 L N 0.183 121.433 121.223 0.045 0.000 2.109 125 L HA 0.117 4.457 4.340 -0.000 0.000 0.207 125 L C 3.203 180.098 176.870 0.041 0.000 1.086 125 L CA 1.166 56.031 54.840 0.042 0.000 0.760 125 L CB -0.444 41.636 42.059 0.036 0.000 0.910 125 L HN 0.212 nan 8.230 nan 0.000 0.437 126 R N 0.228 120.747 120.500 0.032 0.000 2.075 126 R HA -0.140 4.200 4.340 -0.000 0.000 0.232 126 R C 2.346 178.667 176.300 0.034 0.000 1.126 126 R CA 1.294 57.410 56.100 0.027 0.000 0.963 126 R CB -0.202 30.108 30.300 0.016 0.000 0.858 126 R HN 0.317 nan 8.270 nan 0.000 0.435 127 A N 0.722 123.564 122.820 0.036 0.000 1.933 127 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 127 A C 2.318 179.946 177.584 0.073 0.000 1.175 127 A CA 1.674 53.739 52.037 0.046 0.000 0.628 127 A CB -0.717 18.307 19.000 0.039 0.000 0.814 127 A HN 0.529 nan 8.150 nan 0.000 0.444 128 A N -0.188 122.678 122.820 0.077 0.000 1.972 128 A HA 0.188 4.508 4.320 -0.000 0.000 0.219 128 A C 2.452 180.128 177.584 0.154 0.000 1.169 128 A CA 1.861 53.963 52.037 0.107 0.000 0.635 128 A CB -0.906 18.139 19.000 0.076 0.000 0.810 128 A HN 1.069 nan 8.150 nan 0.000 0.446 129 A N -0.357 122.520 122.820 0.096 0.000 1.978 129 A HA 0.182 4.502 4.320 -0.000 0.000 0.220 129 A C 2.179 179.776 177.584 0.023 0.000 1.170 129 A CA 1.861 53.941 52.037 0.073 0.000 0.636 129 A CB -0.627 18.400 19.000 0.045 0.000 0.810 129 A HN 1.115 nan 8.150 nan 0.000 0.448 130 A N -2.402 120.440 122.820 0.037 0.000 2.345 130 A HA 0.326 4.646 4.320 -0.000 0.000 0.225 130 A C 0.617 178.242 177.584 0.068 0.000 1.243 130 A CA 0.512 52.547 52.037 -0.004 0.000 0.875 130 A CB -0.767 18.241 19.000 0.014 0.000 0.929 130 A HN 0.715 nan 8.150 nan 0.000 0.502 131 H N -0.894 118.192 119.070 0.026 0.000 2.861 131 H HA -0.169 4.387 4.556 -0.000 0.000 0.289 131 H C -0.304 175.045 175.328 0.035 0.000 1.176 131 H CA 0.383 56.447 56.048 0.026 0.000 1.146 131 H CB -1.469 28.305 29.762 0.020 0.000 1.330 131 H HN 0.740 nan 8.280 nan 0.000 0.379 132 Q N 1.302 121.191 119.800 0.148 0.000 2.327 132 Q HA 0.073 4.413 4.340 -0.000 0.000 0.254 132 Q C -1.350 174.719 176.000 0.114 0.000 0.952 132 Q CA -1.476 54.393 55.803 0.111 0.000 0.884 132 Q CB 1.009 29.797 28.738 0.082 0.000 1.224 132 Q HN 0.233 nan 8.270 nan 0.000 0.422 133 P HA 0.005 nan 4.420 nan 0.000 0.227 133 P C 0.091 177.498 177.300 0.177 0.000 1.161 133 P CA 0.696 63.899 63.100 0.172 0.000 0.788 133 P CB 0.570 32.402 31.700 0.221 0.000 0.822 134 G N -0.100 108.782 108.800 0.137 0.000 2.441 134 G HA2 0.506 4.466 3.960 -0.000 0.000 0.294 134 G HA3 0.506 4.466 3.960 -0.000 0.000 0.294 134 G C -1.849 173.000 174.900 -0.085 0.000 1.393 134 G CA -0.683 44.307 45.100 -0.183 0.000 0.796 134 G HN 0.187 nan 8.290 nan 0.000 0.494 135 I N -1.980 118.480 120.570 -0.183 0.000 2.693 135 I HA 0.836 5.006 4.170 -0.000 0.000 0.303 135 I C -0.841 175.298 176.117 0.036 0.000 1.025 135 I CA -1.421 59.861 61.300 -0.030 0.000 1.086 135 I CB 2.120 40.105 38.000 -0.025 0.000 1.268 135 I HN 0.394 nan 8.210 nan 0.000 0.440 136 I N 4.374 124.983 120.570 0.065 0.000 2.339 136 I HA 0.560 4.730 4.170 -0.000 0.000 0.290 136 I C -0.003 176.141 176.117 0.044 0.000 0.994 136 I CA -0.170 61.182 61.300 0.088 0.000 1.191 136 I CB 1.510 39.471 38.000 -0.065 0.000 1.343 136 I HN 0.719 nan 8.210 nan 0.000 0.458 137 S N 3.270 119.079 115.700 0.182 0.000 2.535 137 S HA 0.246 4.716 4.470 -0.000 0.000 0.272 137 S C -0.168 174.612 174.600 0.300 0.000 1.149 137 S CA -0.752 57.564 58.200 0.193 0.000 0.888 137 S CB 1.368 64.624 63.200 0.094 0.000 1.110 137 S HN 0.741 nan 8.310 nan 0.000 0.463 138 D N 2.792 123.364 120.400 0.287 0.000 2.340 138 D HA 0.068 4.708 4.640 -0.000 0.000 0.220 138 D C 0.647 176.969 176.300 0.037 0.000 1.039 138 D CA -0.007 54.080 54.000 0.144 0.000 0.866 138 D CB -0.187 40.646 40.800 0.055 0.000 0.913 138 D HN 0.452 nan 8.370 nan 0.000 0.523 139 I N 1.325 121.888 120.570 -0.011 0.000 2.664 139 I HA 0.279 4.449 4.170 -0.000 0.000 0.284 139 I C 1.796 177.934 176.117 0.035 0.000 1.154 139 I CA 1.184 62.438 61.300 -0.077 0.000 1.402 139 I CB -0.105 37.684 38.000 -0.351 0.000 1.395 139 I HN 0.422 nan 8.210 nan 0.000 0.545 140 G N 6.488 115.303 108.800 0.025 0.000 2.201 140 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.212 140 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.212 140 G C 0.411 175.288 174.900 -0.038 0.000 0.994 140 G CA -0.667 44.444 45.100 0.018 0.000 0.644 140 G HN 0.449 nan 8.290 nan 0.000 0.508 141 I N 1.976 122.522 120.570 -0.042 0.000 2.821 141 I HA 0.279 4.449 4.170 -0.000 0.000 0.294 141 I C 1.844 177.916 176.117 -0.075 0.000 1.210 141 I CA 2.457 63.714 61.300 -0.071 0.000 1.430 141 I CB -0.165 37.787 38.000 -0.081 0.000 1.356 141 I HN 1.347 nan 8.210 nan 0.000 0.563 142 G N 4.255 113.008 108.800 -0.078 0.000 2.148 142 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.254 142 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.254 142 G C 0.323 175.195 174.900 -0.047 0.000 0.981 142 G CA 0.556 45.610 45.100 -0.076 0.000 0.670 142 G HN 0.913 nan 8.290 nan 0.000 0.528 143 T N -2.887 111.650 114.554 -0.028 0.000 2.841 143 T HA 0.651 5.001 4.350 -0.000 0.000 0.276 143 T C 1.321 176.034 174.700 0.022 0.000 1.003 143 T CA 0.004 62.127 62.100 0.039 0.000 0.995 143 T CB 1.045 69.957 68.868 0.073 0.000 1.260 143 T HN 1.113 nan 8.240 nan 0.000 0.581 144 F N 0.791 120.704 119.950 -0.061 0.000 2.408 144 F HA 0.063 4.590 4.527 -0.000 0.000 0.300 144 F C 1.837 177.605 175.800 -0.054 0.000 1.090 144 F CA 0.794 58.750 58.000 -0.073 0.000 1.427 144 F CB -0.988 37.921 39.000 -0.152 0.000 1.070 144 F HN 0.327 nan 8.300 nan 0.000 0.549 145 V N -1.956 117.472 119.914 -0.810 0.000 2.871 145 V HA -0.070 4.050 4.120 -0.000 0.000 0.256 145 V C 0.900 176.810 176.094 -0.307 0.000 1.082 145 V CA 0.811 62.744 62.300 -0.612 0.000 1.105 145 V CB -0.866 30.645 31.823 -0.520 0.000 0.713 145 V HN 0.296 nan 8.190 nan 0.000 0.473 146 D N 2.781 123.048 120.400 -0.221 0.000 2.487 146 D HA 0.067 4.707 4.640 -0.000 0.000 0.243 146 D C -1.269 174.964 176.300 -0.111 0.000 1.154 146 D CA -1.405 52.501 54.000 -0.156 0.000 0.876 146 D CB 1.818 42.555 40.800 -0.105 0.000 1.161 146 D HN 0.257 nan 8.370 nan 0.000 0.478 147 P HA -0.105 nan 4.420 nan 0.000 0.228 147 P C 0.896 178.177 177.300 -0.031 0.000 1.151 147 P CA 0.723 63.791 63.100 -0.054 0.000 0.770 147 P CB 0.252 31.921 31.700 -0.051 0.000 0.786 148 R N -0.835 119.640 120.500 -0.041 0.000 2.276 148 R HA 0.020 4.360 4.340 -0.000 0.000 0.203 148 R C 2.088 178.378 176.300 -0.016 0.000 1.017 148 R CA 0.834 56.916 56.100 -0.030 0.000 1.010 148 R CB -0.044 30.232 30.300 -0.041 0.000 0.900 148 R HN 0.414 nan 8.270 nan 0.000 0.469 149 Q N -0.758 119.037 119.800 -0.008 0.000 2.729 149 Q HA 0.089 4.429 4.340 -0.000 0.000 0.228 149 Q C 1.092 177.120 176.000 0.047 0.000 1.021 149 Q CA -0.046 55.771 55.803 0.024 0.000 0.561 149 Q CB 0.249 29.013 28.738 0.043 0.000 3.921 149 Q HN -0.050 nan 8.270 nan 0.000 0.430 150 Q N -0.490 119.360 119.800 0.084 0.000 2.317 150 Q HA 0.230 4.570 4.340 -0.000 0.000 0.220 150 Q C 0.331 176.380 176.000 0.082 0.000 0.873 150 Q CA 0.643 56.513 55.803 0.111 0.000 0.936 150 Q CB 1.080 29.953 28.738 0.223 0.000 1.105 150 Q HN 0.753 nan 8.270 nan 0.000 0.520 151 G N 0.097 108.907 108.800 0.017 0.000 2.203 151 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.263 151 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.263 151 G C 0.862 175.799 174.900 0.061 0.000 1.012 151 G CA 0.506 45.607 45.100 0.002 0.000 0.749 151 G HN 0.894 nan 8.290 nan 0.000 0.512 152 G N -1.530 107.270 108.800 -0.001 0.000 2.199 152 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.254 152 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.254 152 G C 0.420 175.490 174.900 0.285 0.000 0.982 152 G CA 1.053 46.211 45.100 0.097 0.000 0.632 152 G HN 1.105 nan 8.290 nan 0.000 0.529 153 K N 0.003 120.514 120.400 0.185 0.000 2.298 153 K HA 0.599 4.919 4.320 -0.000 0.000 0.280 153 K C 1.192 177.772 176.600 -0.034 0.000 1.032 153 K CA -0.316 55.948 56.287 -0.038 0.000 0.958 153 K CB 1.145 33.605 32.500 -0.068 0.000 0.978 153 K HN 0.169 nan 8.250 nan 0.000 0.472 154 L N 1.575 122.670 121.223 -0.214 0.000 2.556 154 L HA 0.041 4.381 4.340 -0.000 0.000 0.226 154 L C 0.316 177.038 176.870 -0.247 0.000 1.089 154 L CA 0.035 54.721 54.840 -0.256 0.000 0.864 154 L CB -0.108 41.646 42.059 -0.509 0.000 1.067 154 L HN 0.760 nan 8.230 nan 0.000 0.477 155 N N -2.890 115.671 118.700 -0.233 0.000 3.157 155 N HA 0.045 4.785 4.740 -0.000 0.000 0.291 155 N C 0.395 175.824 175.510 -0.135 0.000 1.515 155 N CA -0.685 52.257 53.050 -0.181 0.000 0.807 155 N CB 0.451 38.821 38.487 -0.195 0.000 1.672 155 N HN -0.234 nan 8.380 nan 0.000 0.592 156 E N -0.320 119.820 120.200 -0.100 0.000 2.107 156 E HA -0.076 4.274 4.350 -0.000 0.000 0.191 156 E C 1.123 177.684 176.600 -0.064 0.000 0.982 156 E CA 0.783 57.141 56.400 -0.069 0.000 0.809 156 E CB 0.019 29.688 29.700 -0.051 0.000 0.756 156 E HN 0.388 nan 8.360 nan 0.000 0.459 157 V N 1.363 121.233 119.914 -0.073 0.000 3.078 157 V HA -0.067 4.053 4.120 -0.000 0.000 0.265 157 V C 0.406 176.461 176.094 -0.065 0.000 1.122 157 V CA 1.266 63.534 62.300 -0.053 0.000 1.141 157 V CB -0.347 31.451 31.823 -0.042 0.000 0.735 157 V HN 0.087 nan 8.190 nan 0.000 0.498 158 T N 1.839 116.316 114.554 -0.128 0.000 2.727 158 T HA 0.276 4.626 4.350 -0.000 0.000 0.298 158 T C 0.719 175.368 174.700 -0.085 0.000 0.942 158 T CA -0.366 61.617 62.100 -0.195 0.000 0.997 158 T CB 1.038 69.641 68.868 -0.441 0.000 0.917 158 T HN 0.305 nan 8.240 nan 0.000 0.487 159 K N 1.826 122.237 120.400 0.019 0.000 2.362 159 K HA 0.177 4.497 4.320 -0.000 0.000 0.203 159 K C 0.787 177.475 176.600 0.145 0.000 1.198 159 K CA 0.006 56.335 56.287 0.070 0.000 0.908 159 K CB 0.258 32.795 32.500 0.063 0.000 1.236 159 K HN 0.517 nan 8.250 nan 0.000 0.487 160 E N 2.818 123.153 120.200 0.224 0.000 2.465 160 E HA -0.057 4.293 4.350 -0.000 0.000 0.260 160 E C -0.810 175.967 176.600 0.296 0.000 0.980 160 E CA 0.217 56.768 56.400 0.252 0.000 0.927 160 E CB 0.466 30.337 29.700 0.285 0.000 0.934 160 E HN 0.024 nan 8.360 nan 0.000 0.459 161 D N 4.868 125.383 120.400 0.192 0.000 2.325 161 D HA 0.069 4.709 4.640 -0.000 0.000 0.251 161 D C 0.788 177.172 176.300 0.141 0.000 1.196 161 D CA 0.126 54.226 54.000 0.165 0.000 0.866 161 D CB 1.101 41.964 40.800 0.104 0.000 1.101 161 D HN 0.435 nan 8.370 nan 0.000 0.476 162 L N 2.008 123.307 121.223 0.126 0.000 2.515 162 L HA 0.268 4.608 4.340 -0.000 0.000 0.223 162 L C 0.694 177.603 176.870 0.065 0.000 1.079 162 L CA 0.380 55.273 54.840 0.088 0.000 0.857 162 L CB 0.334 42.388 42.059 -0.008 0.000 1.050 162 L HN 0.215 nan 8.230 nan 0.000 0.476 163 I N 1.124 121.691 120.570 -0.006 0.000 2.406 163 I HA 0.258 4.428 4.170 -0.000 0.000 0.290 163 I C -0.422 175.644 176.117 -0.086 0.000 0.999 163 I CA -0.488 60.697 61.300 -0.192 0.000 1.124 163 I CB 1.734 39.495 38.000 -0.398 0.000 1.289 163 I HN 0.036 nan 8.210 nan 0.000 0.441 164 K N 5.326 125.706 120.400 -0.033 0.000 2.443 164 K HA 0.652 4.972 4.320 -0.000 0.000 0.251 164 K C -1.512 175.086 176.600 -0.005 0.000 0.972 164 K CA -1.006 55.284 56.287 0.006 0.000 0.833 164 K CB 2.421 34.956 32.500 0.057 0.000 1.317 164 K HN 0.304 nan 8.250 nan 0.000 0.441 165 L N 2.353 123.565 121.223 -0.019 0.000 2.349 165 L HA 0.365 4.705 4.340 -0.000 0.000 0.275 165 L C -0.566 176.306 176.870 0.003 0.000 1.115 165 L CA 0.009 54.840 54.840 -0.014 0.000 0.820 165 L CB 1.406 43.443 42.059 -0.038 0.000 1.135 165 L HN 0.631 nan 8.230 nan 0.000 0.445 166 V N 1.461 121.404 119.914 0.048 0.000 3.158 166 V HA 0.741 4.861 4.120 -0.000 0.000 0.311 166 V C -0.975 175.126 176.094 0.012 0.000 1.181 166 V CA -0.832 61.472 62.300 0.006 0.000 1.054 166 V CB 1.869 33.738 31.823 0.076 0.000 1.085 166 V HN 0.851 nan 8.190 nan 0.000 0.446 167 E N 0.154 120.243 120.200 -0.185 0.000 2.275 167 E HA 0.663 5.013 4.350 -0.000 0.000 0.270 167 E C -2.401 173.948 176.600 -0.418 0.000 0.882 167 E CA -0.525 55.800 56.400 -0.125 0.000 0.758 167 E CB 2.272 31.893 29.700 -0.132 0.000 1.195 167 E HN 0.656 nan 8.360 nan 0.000 0.419 168 F N 2.074 122.173 119.950 0.249 0.000 2.596 168 F HA 0.242 4.769 4.527 -0.000 0.000 0.311 168 F C -0.230 175.693 175.800 0.205 0.000 1.116 168 F CA -0.770 57.327 58.000 0.162 0.000 0.957 168 F CB 1.826 40.854 39.000 0.046 0.000 1.250 168 F HN 0.477 nan 8.300 nan 0.000 0.444 169 D N 1.784 122.353 120.400 0.282 0.000 2.837 169 D HA -0.287 4.353 4.640 -0.000 0.000 0.230 169 D C 0.037 176.415 176.300 0.130 0.000 1.152 169 D CA 1.200 55.310 54.000 0.184 0.000 0.736 169 D CB -1.272 39.645 40.800 0.195 0.000 1.084 169 D HN 0.901 nan 8.370 nan 0.000 0.429 170 N N -0.769 117.984 118.700 0.089 0.000 2.708 170 N HA -0.231 4.509 4.740 -0.000 0.000 0.249 170 N C -0.846 174.677 175.510 0.022 0.000 1.097 170 N CA 1.501 54.572 53.050 0.036 0.000 0.710 170 N CB -0.057 38.442 38.487 0.019 0.000 1.032 170 N HN 0.448 nan 8.380 nan 0.000 0.551 171 K N 0.278 120.709 120.400 0.052 0.000 2.385 171 K HA 0.344 4.664 4.320 -0.000 0.000 0.248 171 K C -0.484 175.990 176.600 -0.209 0.000 0.955 171 K CA -0.743 55.489 56.287 -0.093 0.000 0.816 171 K CB 1.696 34.119 32.500 -0.129 0.000 1.250 171 K HN 0.105 nan 8.250 nan 0.000 0.434 172 E N 1.355 121.347 120.200 -0.345 0.000 2.289 172 E HA 0.196 4.546 4.350 -0.000 0.000 0.278 172 E C -1.132 175.141 176.600 -0.545 0.000 1.032 172 E CA 0.046 56.270 56.400 -0.293 0.000 0.854 172 E CB 0.558 30.134 29.700 -0.206 0.000 1.046 172 E HN 0.298 nan 8.360 nan 0.000 0.409 173 Y N 1.105 121.435 120.300 0.050 0.000 2.581 173 Y HA 0.348 4.898 4.550 -0.000 0.000 0.345 173 Y C -0.163 175.760 175.900 0.037 0.000 1.036 173 Y CA -0.935 57.209 58.100 0.073 0.000 1.042 173 Y CB 1.172 39.733 38.460 0.169 0.000 1.289 173 Y HN 0.288 nan 8.280 nan 0.000 0.471 174 L N 2.267 123.593 121.223 0.172 0.000 2.312 174 L HA 0.292 4.632 4.340 -0.000 0.000 0.281 174 L C -1.067 175.854 176.870 0.085 0.000 1.070 174 L CA -0.772 54.060 54.840 -0.014 0.000 0.805 174 L CB 0.805 42.694 42.059 -0.283 0.000 1.174 174 L HN 0.613 nan 8.230 nan 0.000 0.434 175 Y N 3.048 123.288 120.300 -0.100 0.000 2.342 175 Y HA 0.370 4.920 4.550 -0.000 0.000 0.338 175 Y C -1.146 174.661 175.900 -0.154 0.000 0.965 175 Y CA -0.670 57.415 58.100 -0.024 0.000 1.159 175 Y CB 0.628 39.107 38.460 0.033 0.000 1.157 175 Y HN 0.296 nan 8.280 nan 0.000 0.486 176 Y N 5.593 125.516 120.300 -0.628 0.000 2.335 176 Y HA 0.295 4.845 4.550 -0.000 0.000 0.339 176 Y C 0.292 175.787 175.900 -0.674 0.000 0.987 176 Y CA -0.838 56.889 58.100 -0.622 0.000 1.140 176 Y CB 1.128 39.190 38.460 -0.663 0.000 1.173 176 Y HN 0.499 nan 8.280 nan 0.000 0.486 177 K N 2.607 122.874 120.400 -0.223 0.000 2.451 177 K HA 0.415 4.734 4.320 -0.000 0.000 0.280 177 K C -0.346 176.313 176.600 0.099 0.000 1.020 177 K CA -0.203 56.043 56.287 -0.068 0.000 1.008 177 K CB 0.375 32.941 32.500 0.109 0.000 0.917 177 K HN 0.799 nan 8.250 nan 0.000 0.478 178 A N 6.012 128.858 122.820 0.044 0.000 2.302 178 A HA 0.345 4.665 4.320 -0.000 0.000 0.295 178 A C -0.329 177.290 177.584 0.058 0.000 1.235 178 A CA -0.586 51.497 52.037 0.076 0.000 0.876 178 A CB -0.075 18.957 19.000 0.054 0.000 1.133 178 A HN 0.750 nan 8.150 nan 0.000 0.533 179 I N 2.585 123.185 120.570 0.050 0.000 2.339 179 I HA 0.450 4.620 4.170 -0.000 0.000 0.290 179 I C 0.694 176.808 176.117 -0.004 0.000 0.994 179 I CA -0.177 61.123 61.300 -0.001 0.000 1.191 179 I CB 1.813 39.801 38.000 -0.018 0.000 1.343 179 I HN 0.672 nan 8.210 nan 0.000 0.458 180 A N 8.557 131.364 122.820 -0.020 0.000 2.309 180 A HA 0.747 5.067 4.320 -0.000 0.000 0.298 180 A C -2.467 175.097 177.584 -0.034 0.000 1.165 180 A CA -1.351 50.681 52.037 -0.008 0.000 0.821 180 A CB 0.006 19.009 19.000 0.004 0.000 1.102 180 A HN 0.399 nan 8.150 nan 0.000 0.500 181 P HA 0.336 nan 4.420 nan 0.000 0.278 181 P C -0.432 176.848 177.300 -0.033 0.000 1.258 181 P CA -0.342 62.735 63.100 -0.038 0.000 0.811 181 P CB 0.942 32.625 31.700 -0.028 0.000 1.063 182 D N -0.288 120.084 120.400 -0.046 0.000 2.388 182 D HA 0.146 4.786 4.640 -0.000 0.000 0.208 182 D C 0.417 176.705 176.300 -0.020 0.000 1.035 182 D CA 0.947 54.928 54.000 -0.032 0.000 0.875 182 D CB 0.605 41.383 40.800 -0.037 0.000 0.984 182 D HN 0.217 nan 8.370 nan 0.000 0.508 183 I N 0.752 121.295 120.570 -0.045 0.000 2.686 183 I HA 0.514 4.684 4.170 -0.000 0.000 0.295 183 I C -0.751 175.313 176.117 -0.088 0.000 1.114 183 I CA -1.031 60.239 61.300 -0.051 0.000 1.038 183 I CB 2.027 39.975 38.000 -0.088 0.000 1.238 183 I HN -0.265 nan 8.210 nan 0.000 0.420 184 A N 5.448 128.258 122.820 -0.017 0.000 2.371 184 A HA 0.817 5.136 4.320 -0.000 0.000 0.311 184 A C -1.436 176.266 177.584 0.197 0.000 1.068 184 A CA -0.382 51.664 52.037 0.015 0.000 0.744 184 A CB 1.114 20.150 19.000 0.060 0.000 1.239 184 A HN 0.391 nan 8.150 nan 0.000 0.435 185 F N 3.261 123.231 119.950 0.034 0.000 2.303 185 F HA 0.457 4.984 4.527 -0.000 0.000 0.368 185 F C 0.480 176.301 175.800 0.035 0.000 1.105 185 F CA -1.301 56.719 58.000 0.032 0.000 1.153 185 F CB 0.294 39.314 39.000 0.033 0.000 1.362 185 F HN 0.564 nan 8.300 nan 0.000 0.511 186 I N 0.639 121.335 120.570 0.210 0.000 3.237 186 I HA 0.835 5.005 4.170 -0.000 0.000 0.308 186 I C -0.658 175.504 176.117 0.076 0.000 1.093 186 I CA -1.225 60.159 61.300 0.140 0.000 1.001 186 I CB 2.681 40.759 38.000 0.131 0.000 1.245 186 I HN 0.447 nan 8.210 nan 0.000 0.485 187 R N 1.627 122.158 120.500 0.052 0.000 2.663 187 R HA 0.830 5.170 4.340 -0.000 0.000 0.267 187 R C -2.072 174.086 176.300 -0.236 0.000 1.038 187 R CA -0.347 55.718 56.100 -0.058 0.000 0.886 187 R CB 2.194 32.472 30.300 -0.037 0.000 1.249 187 R HN 1.098 nan 8.270 nan 0.000 0.463 188 A N 0.936 123.507 122.820 -0.414 0.000 2.524 188 A HA 0.508 4.828 4.320 -0.000 0.000 0.289 188 A C 0.147 177.435 177.584 -0.495 0.000 1.248 188 A CA -0.433 51.062 52.037 -0.903 0.000 0.712 188 A CB 1.348 19.820 19.000 -0.881 0.000 1.312 188 A HN 0.700 nan 8.150 nan 0.000 0.441 189 T N 0.507 114.788 114.554 -0.455 0.000 2.770 189 T HA 0.178 4.528 4.350 -0.000 0.000 0.258 189 T C 0.468 175.083 174.700 -0.140 0.000 1.039 189 T CA 2.027 64.006 62.100 -0.203 0.000 1.143 189 T CB -0.168 68.633 68.868 -0.111 0.000 0.866 189 T HN 0.766 nan 8.240 nan 0.000 0.428 190 T N 1.079 115.556 114.554 -0.128 0.000 2.916 190 T HA 0.589 4.939 4.350 -0.000 0.000 0.305 190 T C -0.793 173.878 174.700 -0.048 0.000 1.119 190 T CA -0.950 61.112 62.100 -0.063 0.000 1.008 190 T CB 1.783 70.636 68.868 -0.025 0.000 1.129 190 T HN 0.591 nan 8.240 nan 0.000 0.480 191 C N 1.278 120.565 119.300 -0.022 0.000 3.090 191 C HA 0.917 5.377 4.460 -0.000 0.000 0.305 191 C C -0.321 174.687 174.990 0.029 0.000 1.292 191 C CA -1.122 57.902 59.018 0.011 0.000 1.482 191 C CB 1.254 28.990 27.740 -0.006 0.000 1.897 191 C HN 0.962 nan 8.230 nan 0.000 0.469 192 D N 1.136 121.576 120.400 0.067 0.000 2.414 192 D HA 0.231 4.871 4.640 -0.000 0.000 0.251 192 D C 1.292 177.628 176.300 0.061 0.000 1.252 192 D CA 0.243 54.278 54.000 0.059 0.000 0.999 192 D CB 0.616 41.450 40.800 0.056 0.000 1.093 192 D HN 0.897 nan 8.370 nan 0.000 0.515 193 S N -1.324 114.406 115.700 0.049 0.000 2.500 193 S HA -0.146 4.324 4.470 -0.000 0.000 0.239 193 S C 0.930 175.567 174.600 0.063 0.000 0.989 193 S CA 0.687 58.913 58.200 0.043 0.000 0.951 193 S CB -0.543 62.675 63.200 0.030 0.000 0.759 193 S HN 0.609 nan 8.310 nan 0.000 0.523 194 E N 0.246 120.515 120.200 0.115 0.000 2.501 194 E HA 0.338 4.688 4.350 -0.000 0.000 0.201 194 E C 1.102 177.758 176.600 0.093 0.000 1.016 194 E CA 0.156 56.644 56.400 0.147 0.000 0.920 194 E CB 0.410 30.265 29.700 0.259 0.000 1.023 194 E HN 0.647 nan 8.360 nan 0.000 0.474 195 G N 1.125 109.963 108.800 0.063 0.000 2.176 195 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.232 195 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.232 195 G C -0.114 174.733 174.900 -0.087 0.000 0.986 195 G CA -0.393 44.681 45.100 -0.044 0.000 0.643 195 G HN 0.289 nan 8.290 nan 0.000 0.522 196 Y N 1.631 121.895 120.300 -0.060 0.000 2.650 196 Y HA 0.388 4.938 4.550 -0.000 0.000 0.331 196 Y C 0.962 176.846 175.900 -0.026 0.000 1.165 196 Y CA 0.712 58.775 58.100 -0.061 0.000 1.473 196 Y CB 0.725 39.156 38.460 -0.049 0.000 1.224 196 Y HN 0.519 nan 8.280 nan 0.000 0.533 197 A N 3.084 125.962 122.820 0.097 0.000 2.342 197 A HA 0.752 5.072 4.320 -0.000 0.000 0.323 197 A C -0.155 177.541 177.584 0.187 0.000 1.125 197 A CA -0.575 51.514 52.037 0.088 0.000 0.785 197 A CB 0.730 19.758 19.000 0.047 0.000 1.221 197 A HN 0.663 nan 8.150 nan 0.000 0.463 198 T N -1.829 112.804 114.554 0.132 0.000 2.942 198 T HA 0.711 5.061 4.350 -0.000 0.000 0.289 198 T C -0.471 174.340 174.700 0.185 0.000 1.044 198 T CA -0.372 61.873 62.100 0.240 0.000 1.023 198 T CB 1.023 69.974 68.868 0.139 0.000 1.123 198 T HN 0.355 nan 8.240 nan 0.000 0.512 199 F N 0.715 120.715 119.950 0.084 0.000 2.835 199 F HA 0.218 4.745 4.527 -0.000 0.000 0.342 199 F C 2.124 177.986 175.800 0.104 0.000 1.202 199 F CA -0.807 57.270 58.000 0.129 0.000 1.240 199 F CB 0.709 39.882 39.000 0.289 0.000 1.005 199 F HN 0.752 nan 8.300 nan 0.000 0.507 200 E N -0.094 120.210 120.200 0.174 0.000 2.160 200 E HA -0.217 4.133 4.350 -0.000 0.000 0.195 200 E C 0.340 176.976 176.600 0.061 0.000 0.991 200 E CA 1.771 58.233 56.400 0.103 0.000 0.810 200 E CB -0.105 29.626 29.700 0.053 0.000 0.742 200 E HN 0.343 nan 8.360 nan 0.000 0.466 201 D N 0.642 121.067 120.400 0.042 0.000 2.398 201 D HA 0.083 4.723 4.640 -0.000 0.000 0.210 201 D C -0.132 176.179 176.300 0.018 0.000 1.094 201 D CA -0.014 53.999 54.000 0.021 0.000 0.839 201 D CB 0.339 41.142 40.800 0.006 0.000 0.963 201 D HN 0.097 nan 8.370 nan 0.000 0.506 202 E N 0.670 120.895 120.200 0.042 0.000 2.383 202 E HA 0.058 4.408 4.350 -0.000 0.000 0.264 202 E C 1.613 178.220 176.600 0.011 0.000 1.050 202 E CA -0.271 56.157 56.400 0.045 0.000 0.896 202 E CB 1.792 31.576 29.700 0.140 0.000 0.982 202 E HN -0.189 nan 8.360 nan 0.000 0.424 203 V N 1.813 121.721 119.914 -0.009 0.000 2.490 203 V HA -0.194 3.926 4.120 -0.000 0.000 0.250 203 V C 1.187 177.213 176.094 -0.114 0.000 1.061 203 V CA 2.115 64.388 62.300 -0.045 0.000 1.064 203 V CB -0.794 31.007 31.823 -0.037 0.000 0.670 203 V HN 0.693 nan 8.190 nan 0.000 0.461 204 M N -3.922 115.602 119.600 -0.127 0.000 3.767 204 M HA 0.354 4.834 4.480 -0.000 0.000 0.327 204 M C -0.321 175.845 176.300 -0.222 0.000 1.529 204 M CA -0.553 54.557 55.300 -0.317 0.000 0.871 204 M CB 1.177 33.656 32.600 -0.202 0.000 2.008 204 M HN -0.189 nan 8.290 nan 0.000 0.485 205 Y N -0.037 120.249 120.300 -0.024 0.000 2.483 205 Y HA 0.534 5.084 4.550 -0.000 0.000 0.258 205 Y C 1.268 177.123 175.900 -0.076 0.000 1.083 205 Y CA -0.240 57.765 58.100 -0.159 0.000 1.283 205 Y CB -0.212 38.045 38.460 -0.338 0.000 1.178 205 Y HN 0.636 nan 8.280 nan 0.000 0.515 206 L N 0.075 121.357 121.223 0.099 0.000 6.328 206 L HA -0.388 3.952 4.340 -0.000 0.000 0.053 206 L C 0.347 177.259 176.870 0.069 0.000 2.032 206 L CA 1.756 56.645 54.840 0.082 0.000 1.701 206 L CB -0.820 41.295 42.059 0.094 0.000 2.706 206 L HN 0.327 nan 8.230 nan 0.000 1.012 207 D N -0.266 120.175 120.400 0.069 0.000 2.772 207 D HA 0.431 5.071 4.640 -0.000 0.000 0.272 207 D C 0.878 177.201 176.300 0.038 0.000 1.314 207 D CA 0.351 54.377 54.000 0.042 0.000 0.835 207 D CB 0.607 41.439 40.800 0.053 0.000 1.080 207 D HN 0.613 nan 8.370 nan 0.000 0.482 208 A N 0.452 123.301 122.820 0.048 0.000 1.908 208 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 208 A C 1.941 179.549 177.584 0.039 0.000 1.181 208 A CA 1.222 53.314 52.037 0.092 0.000 0.627 208 A CB -0.527 18.613 19.000 0.234 0.000 0.818 208 A HN 0.370 nan 8.150 nan 0.000 0.445 209 L N -0.170 121.030 121.223 -0.038 0.000 2.056 209 L HA -0.087 4.253 4.340 -0.000 0.000 0.207 209 L C 2.373 179.228 176.870 -0.026 0.000 1.078 209 L CA 1.879 56.684 54.840 -0.058 0.000 0.749 209 L CB -0.599 41.389 42.059 -0.119 0.000 0.901 209 L HN 0.139 nan 8.230 nan 0.000 0.433 210 V N 0.096 120.000 119.914 -0.016 0.000 2.287 210 V HA -0.343 3.777 4.120 -0.000 0.000 0.248 210 V C 2.544 178.652 176.094 0.025 0.000 1.053 210 V CA 2.382 64.686 62.300 0.005 0.000 1.027 210 V CB -0.502 31.327 31.823 0.010 0.000 0.646 210 V HN 0.454 nan 8.190 nan 0.000 0.447 211 I N 0.242 120.832 120.570 0.033 0.000 2.208 211 I HA -0.261 3.909 4.170 -0.000 0.000 0.245 211 I C 2.640 178.786 176.117 0.048 0.000 1.097 211 I CA 1.559 62.885 61.300 0.044 0.000 1.363 211 I CB -0.607 37.425 38.000 0.054 0.000 1.051 211 I HN 0.307 nan 8.210 nan 0.000 0.413 212 A N 0.106 122.951 122.820 0.042 0.000 1.902 212 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 212 A C 2.266 179.886 177.584 0.060 0.000 1.181 212 A CA 1.493 53.554 52.037 0.039 0.000 0.623 212 A CB -0.547 18.453 19.000 -0.001 0.000 0.818 212 A HN 0.465 nan 8.150 nan 0.000 0.443 213 Q N -0.694 119.132 119.800 0.043 0.000 2.079 213 Q HA -0.057 4.282 4.340 -0.000 0.000 0.200 213 Q C 2.493 178.557 176.000 0.106 0.000 0.974 213 Q CA 1.195 57.042 55.803 0.073 0.000 0.840 213 Q CB -0.394 28.365 28.738 0.035 0.000 0.898 213 Q HN 0.669 nan 8.270 nan 0.000 0.430 214 A N 0.517 123.383 122.820 0.078 0.000 1.873 214 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 214 A C 2.339 179.975 177.584 0.087 0.000 1.193 214 A CA 1.814 53.899 52.037 0.080 0.000 0.629 214 A CB -0.935 18.100 19.000 0.058 0.000 0.826 214 A HN 0.227 nan 8.150 nan 0.000 0.447 215 V N -0.653 119.308 119.914 0.079 0.000 2.358 215 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 215 V C 2.468 178.614 176.094 0.087 0.000 1.047 215 V CA 2.500 64.840 62.300 0.067 0.000 1.035 215 V CB -1.050 30.806 31.823 0.055 0.000 0.658 215 V HN 0.855 nan 8.190 nan 0.000 0.452 216 H N 1.087 120.177 119.070 0.034 0.000 2.319 216 H HA -0.123 4.433 4.556 -0.000 0.000 0.299 216 H C 1.959 177.318 175.328 0.051 0.000 1.092 216 H CA 2.049 58.120 56.048 0.038 0.000 1.302 216 H CB -0.050 29.736 29.762 0.040 0.000 1.373 216 H HN 0.324 nan 8.280 nan 0.000 0.497 217 N N 0.215 118.959 118.700 0.073 0.000 2.521 217 N HA -0.091 4.649 4.740 -0.000 0.000 0.188 217 N C 0.612 176.226 175.510 0.174 0.000 1.146 217 N CA 0.446 53.527 53.050 0.053 0.000 0.893 217 N CB -0.126 38.381 38.487 0.034 0.000 0.975 217 N HN 0.426 nan 8.380 nan 0.000 0.451 218 N N -0.021 118.726 118.700 0.080 0.000 2.214 218 N HA 0.105 4.845 4.740 -0.000 0.000 0.214 218 N C 0.645 176.147 175.510 -0.014 0.000 1.132 218 N CA 0.269 53.345 53.050 0.043 0.000 0.856 218 N CB 0.073 38.572 38.487 0.020 0.000 1.020 218 N HN 0.141 nan 8.380 nan 0.000 0.509 219 G N -0.793 107.972 108.800 -0.059 0.000 2.179 219 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.257 219 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.257 219 G C 0.522 175.394 174.900 -0.047 0.000 1.010 219 G CA 0.352 45.406 45.100 -0.078 0.000 0.736 219 G HN 0.626 nan 8.290 nan 0.000 0.513 220 G N -1.077 107.705 108.800 -0.030 0.000 2.525 220 G HA2 0.648 4.608 3.960 -0.000 0.000 0.287 220 G HA3 0.648 4.608 3.960 -0.000 0.000 0.287 220 G C -0.067 174.843 174.900 0.016 0.000 1.350 220 G CA -0.881 44.218 45.100 -0.002 0.000 1.039 220 G HN 0.647 nan 8.290 nan 0.000 0.513 221 I N 0.045 120.633 120.570 0.030 0.000 2.389 221 I HA 0.262 4.432 4.170 -0.000 0.000 0.288 221 I C -0.556 175.595 176.117 0.057 0.000 0.999 221 I CA -0.645 60.677 61.300 0.036 0.000 1.129 221 I CB 2.169 40.187 38.000 0.030 0.000 1.288 221 I HN -0.036 nan 8.210 nan 0.000 0.444 222 V N 7.484 127.436 119.914 0.062 0.000 2.364 222 V HA 0.387 4.507 4.120 -0.000 0.000 0.272 222 V C 0.174 176.307 176.094 0.066 0.000 1.036 222 V CA -0.309 62.035 62.300 0.073 0.000 0.880 222 V CB 1.195 33.058 31.823 0.065 0.000 0.991 222 V HN 0.641 nan 8.190 nan 0.000 0.460 223 M N 6.449 126.122 119.600 0.121 0.000 2.149 223 M HA 0.568 5.048 4.480 -0.000 0.000 0.342 223 M C -0.594 175.756 176.300 0.083 0.000 1.068 223 M CA -0.094 55.269 55.300 0.105 0.000 0.991 223 M CB 1.713 34.422 32.600 0.181 0.000 1.596 223 M HN 0.576 nan 8.290 nan 0.000 0.439 224 M N 3.571 123.183 119.600 0.020 0.000 2.190 224 M HA 0.338 4.818 4.480 -0.000 0.000 0.312 224 M C -1.003 175.274 176.300 -0.039 0.000 0.990 224 M CA -0.441 54.858 55.300 -0.002 0.000 0.927 224 M CB 1.890 34.481 32.600 -0.016 0.000 1.571 224 M HN 0.712 nan 8.290 nan 0.000 0.427 225 Q N 4.558 124.326 119.800 -0.053 0.000 2.256 225 Q HA 0.622 4.962 4.340 -0.000 0.000 0.254 225 Q C -1.401 174.547 176.000 -0.086 0.000 0.916 225 Q CA -0.657 55.103 55.803 -0.071 0.000 0.932 225 Q CB 1.265 29.955 28.738 -0.079 0.000 1.207 225 Q HN 0.696 nan 8.270 nan 0.000 0.426 226 V N 0.753 120.619 119.914 -0.079 0.000 3.102 226 V HA 0.316 4.436 4.120 -0.000 0.000 0.312 226 V C 0.454 176.507 176.094 -0.068 0.000 1.135 226 V CA -0.800 61.445 62.300 -0.093 0.000 1.022 226 V CB 1.861 33.631 31.823 -0.088 0.000 1.056 226 V HN 0.915 nan 8.190 nan 0.000 0.436 227 Q N 1.174 120.933 119.800 -0.069 0.000 2.187 227 Q HA 0.087 4.427 4.340 -0.000 0.000 0.199 227 Q C 0.334 176.313 176.000 -0.035 0.000 0.957 227 Q CA 1.659 57.434 55.803 -0.046 0.000 0.857 227 Q CB 0.286 28.997 28.738 -0.044 0.000 0.929 227 Q HN 0.921 nan 8.270 nan 0.000 0.453 228 K N -1.367 119.011 120.400 -0.037 0.000 2.575 228 K HA 0.436 4.756 4.320 -0.000 0.000 0.279 228 K C -1.252 175.334 176.600 -0.022 0.000 0.969 228 K CA -0.651 55.621 56.287 -0.025 0.000 0.868 228 K CB 1.113 33.602 32.500 -0.018 0.000 1.457 228 K HN -0.116 nan 8.250 nan 0.000 0.426 229 M N 2.010 121.602 119.600 -0.013 0.000 2.528 229 M HA 0.485 4.965 4.480 -0.000 0.000 0.321 229 M C -0.424 175.875 176.300 -0.001 0.000 1.153 229 M CA -1.143 54.153 55.300 -0.006 0.000 0.951 229 M CB 2.195 34.793 32.600 -0.004 0.000 1.705 229 M HN 0.652 nan 8.290 nan 0.000 0.451 230 V N -0.983 118.933 119.914 0.005 0.000 3.126 230 V HA 0.602 4.722 4.120 -0.000 0.000 0.314 230 V C -0.505 175.593 176.094 0.006 0.000 1.138 230 V CA -1.225 61.078 62.300 0.005 0.000 1.034 230 V CB 1.801 33.627 31.823 0.005 0.000 1.075 230 V HN 0.898 nan 8.190 nan 0.000 0.442 231 K N 1.593 121.994 120.400 0.001 0.000 2.527 231 K HA 0.064 4.383 4.320 -0.000 0.000 0.278 231 K C 0.342 176.938 176.600 -0.006 0.000 0.981 231 K CA -0.005 56.281 56.287 -0.002 0.000 1.009 231 K CB 0.351 32.847 32.500 -0.007 0.000 0.895 231 K HN 0.880 nan 8.250 nan 0.000 0.493 232 K N 2.856 123.253 120.400 -0.005 0.000 2.524 232 K HA -0.114 4.206 4.320 -0.000 0.000 0.279 232 K C -0.021 176.548 176.600 -0.052 0.000 0.993 232 K CA 1.024 57.300 56.287 -0.018 0.000 1.030 232 K CB 0.065 32.559 32.500 -0.010 0.000 0.891 232 K HN 0.799 nan 8.250 nan 0.000 0.488 233 A N 2.460 125.220 122.820 -0.099 0.000 2.832 233 A HA -0.177 4.143 4.320 -0.000 0.000 0.280 233 A C 0.810 178.338 177.584 -0.093 0.000 1.464 233 A CA 1.768 53.723 52.037 -0.136 0.000 0.804 233 A CB -2.607 16.314 19.000 -0.132 0.000 1.020 233 A HN 1.004 nan 8.150 nan 0.000 0.563 234 T N -2.868 111.649 114.554 -0.062 0.000 3.023 234 T HA 0.564 4.914 4.350 -0.000 0.000 0.253 234 T C 0.585 175.269 174.700 -0.026 0.000 1.038 234 T CA 0.364 62.439 62.100 -0.042 0.000 0.962 234 T CB -0.072 68.782 68.868 -0.024 0.000 1.018 234 T HN 0.538 nan 8.240 nan 0.000 0.521 235 L N 1.940 123.150 121.223 -0.021 0.000 2.439 235 L HA 0.370 4.710 4.340 -0.000 0.000 0.261 235 L C 0.809 177.693 176.870 0.023 0.000 1.153 235 L CA -1.129 53.723 54.840 0.021 0.000 0.808 235 L CB 0.375 42.460 42.059 0.042 0.000 1.126 235 L HN 0.286 nan 8.230 nan 0.000 0.460 236 H N 4.291 123.353 119.070 -0.015 0.000 2.975 236 H HA 0.057 4.613 4.556 -0.000 0.000 0.303 236 H C -1.701 173.617 175.328 -0.018 0.000 1.023 236 H CA -1.533 54.503 56.048 -0.019 0.000 1.473 236 H CB 1.487 31.241 29.762 -0.014 0.000 1.498 236 H HN 0.339 nan 8.280 nan 0.000 0.549 237 P HA -0.131 nan 4.420 nan 0.000 0.219 237 P C 0.805 178.190 177.300 0.141 0.000 1.146 237 P CA 1.285 64.409 63.100 0.041 0.000 0.808 237 P CB 0.386 32.055 31.700 -0.052 0.000 0.779 238 K N -0.575 120.027 120.400 0.337 0.000 2.432 238 K HA 0.094 4.414 4.320 -0.000 0.000 0.196 238 K C 1.918 178.549 176.600 0.052 0.000 1.038 238 K CA 0.589 56.972 56.287 0.160 0.000 0.986 238 K CB -0.054 32.526 32.500 0.133 0.000 0.782 238 K HN 0.069 nan 8.250 nan 0.000 0.485 239 S N 0.537 116.291 115.700 0.091 0.000 2.503 239 S HA 0.038 4.508 4.470 -0.000 0.000 0.217 239 S C 0.595 175.228 174.600 0.054 0.000 0.999 239 S CA -0.060 58.162 58.200 0.038 0.000 0.914 239 S CB 0.382 63.613 63.200 0.052 0.000 0.782 239 S HN -0.055 nan 8.310 nan 0.000 0.520 240 V N 3.910 123.868 119.914 0.073 0.000 2.479 240 V HA 0.147 4.267 4.120 -0.000 0.000 0.281 240 V C 1.146 177.245 176.094 0.009 0.000 1.031 240 V CA 0.159 62.512 62.300 0.087 0.000 1.038 240 V CB 0.653 32.556 31.823 0.135 0.000 0.981 240 V HN 0.314 nan 8.190 nan 0.000 0.478 241 R N 4.139 124.637 120.500 -0.003 0.000 2.254 241 R HA 0.398 4.738 4.340 -0.000 0.000 0.193 241 R C 0.021 176.246 176.300 -0.125 0.000 0.929 241 R CA 0.454 56.447 56.100 -0.178 0.000 1.038 241 R CB 0.554 30.555 30.300 -0.499 0.000 1.009 241 R HN 0.539 nan 8.270 nan 0.000 0.512 242 I N 3.076 123.630 120.570 -0.026 0.000 2.439 242 I HA 0.276 4.446 4.170 -0.000 0.000 0.285 242 I C -2.551 173.412 176.117 -0.256 0.000 1.021 242 I CA -2.537 58.696 61.300 -0.110 0.000 1.091 242 I CB 2.600 40.592 38.000 -0.013 0.000 1.242 242 I HN -0.321 nan 8.210 nan 0.000 0.439 243 P HA 0.062 nan 4.420 nan 0.000 0.267 243 P C 1.046 177.576 177.300 -1.284 0.000 1.205 243 P CA 0.035 62.564 63.100 -0.952 0.000 0.765 243 P CB 0.923 31.945 31.700 -1.131 0.000 0.828 244 G N 2.731 110.421 108.800 -1.851 0.000 2.450 244 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.220 244 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.220 244 G C 0.891 175.440 174.900 -0.586 0.000 1.130 244 G CA 0.595 45.086 45.100 -1.016 0.000 0.760 244 G HN 0.630 nan 8.290 nan 0.000 0.557 245 Y N -0.175 119.879 120.300 -0.411 0.000 2.639 245 Y HA 0.313 4.863 4.550 -0.000 0.000 0.297 245 Y C 2.022 177.728 175.900 -0.323 0.000 1.151 245 Y CA -0.116 57.838 58.100 -0.244 0.000 1.335 245 Y CB -0.476 37.882 38.460 -0.171 0.000 0.994 245 Y HN 0.126 nan 8.280 nan 0.000 0.548 246 L N -0.010 120.937 121.223 -0.461 0.000 2.418 246 L HA 0.108 4.448 4.340 -0.000 0.000 0.218 246 L C 0.155 176.938 176.870 -0.146 0.000 1.125 246 L CA -0.118 54.494 54.840 -0.381 0.000 0.835 246 L CB 0.066 41.904 42.059 -0.368 0.000 0.953 246 L HN 0.020 nan 8.230 nan 0.000 0.454 247 V N 0.212 120.036 119.914 -0.150 0.000 2.439 247 V HA 0.126 4.246 4.120 -0.000 0.000 0.282 247 V C 0.267 176.342 176.094 -0.031 0.000 1.039 247 V CA -0.322 61.934 62.300 -0.074 0.000 0.913 247 V CB 1.716 33.479 31.823 -0.101 0.000 0.983 247 V HN 0.120 nan 8.190 nan 0.000 0.460 248 D N 3.219 123.613 120.400 -0.010 0.000 2.431 248 D HA 0.300 4.940 4.640 -0.000 0.000 0.227 248 D C 0.250 176.513 176.300 -0.063 0.000 1.030 248 D CA 0.902 54.888 54.000 -0.023 0.000 0.897 248 D CB 1.241 42.031 40.800 -0.016 0.000 1.058 248 D HN 0.403 nan 8.370 nan 0.000 0.500 249 I N 1.121 121.657 120.570 -0.057 0.000 2.569 249 I HA 0.222 4.392 4.170 -0.000 0.000 0.290 249 I C -0.877 175.218 176.117 -0.036 0.000 1.088 249 I CA -0.851 60.410 61.300 -0.065 0.000 1.047 249 I CB 3.290 41.235 38.000 -0.092 0.000 1.237 249 I HN -0.394 nan 8.210 nan 0.000 0.421 250 V N 6.442 126.336 119.914 -0.034 0.000 2.435 250 V HA 0.429 4.549 4.120 -0.000 0.000 0.290 250 V C -0.228 175.848 176.094 -0.030 0.000 1.030 250 V CA -0.679 61.602 62.300 -0.031 0.000 0.881 250 V CB 2.148 33.954 31.823 -0.029 0.000 0.983 250 V HN 0.394 nan 8.190 nan 0.000 0.445 251 V N 5.722 125.613 119.914 -0.039 0.000 2.357 251 V HA 0.376 4.496 4.120 -0.000 0.000 0.284 251 V C -0.131 175.938 176.094 -0.043 0.000 1.018 251 V CA -0.595 61.680 62.300 -0.042 0.000 0.841 251 V CB 1.870 33.656 31.823 -0.063 0.000 0.991 251 V HN 0.612 nan 8.190 nan 0.000 0.437 252 V N 3.972 123.867 119.914 -0.032 0.000 2.385 252 V HA 0.317 4.437 4.120 -0.000 0.000 0.269 252 V C -0.108 175.969 176.094 -0.030 0.000 1.043 252 V CA -0.276 62.006 62.300 -0.031 0.000 0.906 252 V CB 1.476 33.286 31.823 -0.022 0.000 0.995 252 V HN 0.920 nan 8.190 nan 0.000 0.467 253 D N 7.651 128.031 120.400 -0.034 0.000 2.477 253 D HA 0.358 4.998 4.640 -0.000 0.000 0.239 253 D C -1.256 175.031 176.300 -0.022 0.000 1.102 253 D CA -2.186 51.797 54.000 -0.027 0.000 0.901 253 D CB 1.992 42.774 40.800 -0.030 0.000 1.026 253 D HN 0.228 nan 8.370 nan 0.000 0.515 254 P HA -0.071 nan 4.420 nan 0.000 0.222 254 P C 0.160 177.454 177.300 -0.010 0.000 1.147 254 P CA 0.748 63.839 63.100 -0.014 0.000 0.790 254 P CB 0.521 32.215 31.700 -0.010 0.000 0.780 255 D N -0.803 119.592 120.400 -0.008 0.000 2.339 255 D HA -0.005 4.635 4.640 -0.000 0.000 0.217 255 D C 1.010 177.310 176.300 0.000 0.000 1.050 255 D CA 0.084 54.083 54.000 -0.003 0.000 0.856 255 D CB -0.235 40.565 40.800 -0.001 0.000 0.922 255 D HN 0.326 nan 8.370 nan 0.000 0.518 256 Q N 1.273 121.069 119.800 -0.006 0.000 2.304 256 Q HA -0.026 4.314 4.340 -0.000 0.000 0.315 256 Q C -0.329 175.673 176.000 0.003 0.000 1.075 256 Q CA 0.489 56.289 55.803 -0.005 0.000 0.988 256 Q CB 0.514 29.238 28.738 -0.023 0.000 1.146 256 Q HN -0.079 nan 8.270 nan 0.000 0.383 257 S N 2.337 118.047 115.700 0.017 0.000 2.532 257 S HA 0.176 4.646 4.470 -0.000 0.000 0.301 257 S C 0.433 175.043 174.600 0.016 0.000 1.083 257 S CA -0.610 57.605 58.200 0.024 0.000 1.025 257 S CB 1.683 64.912 63.200 0.048 0.000 1.056 257 S HN 0.858 nan 8.310 nan 0.000 0.494 258 Q N 1.633 121.439 119.800 0.011 0.000 2.135 258 Q HA 0.044 4.384 4.340 -0.000 0.000 0.204 258 Q C -0.177 175.812 176.000 -0.019 0.000 0.981 258 Q CA 1.274 57.076 55.803 -0.001 0.000 0.856 258 Q CB -0.055 28.687 28.738 0.007 0.000 0.902 258 Q HN 0.580 nan 8.270 nan 0.000 0.425 259 L N -2.045 119.175 121.223 -0.005 0.000 2.397 259 L HA 0.348 4.688 4.340 -0.000 0.000 0.251 259 L C -0.853 176.056 176.870 0.064 0.000 1.064 259 L CA -1.453 53.364 54.840 -0.039 0.000 0.859 259 L CB 0.770 42.814 42.059 -0.024 0.000 1.468 259 L HN -0.107 nan 8.230 nan 0.000 0.411 260 Y N 0.744 121.053 120.300 0.014 0.000 2.683 260 Y HA 0.300 4.850 4.550 -0.000 0.000 0.340 260 Y C 1.357 177.264 175.900 0.012 0.000 1.245 260 Y CA 0.739 58.847 58.100 0.013 0.000 1.485 260 Y CB 0.102 38.571 38.460 0.016 0.000 1.328 260 Y HN 0.733 nan 8.280 nan 0.000 0.603 261 G N -0.116 108.790 108.800 0.176 0.000 2.184 261 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.206 261 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.206 261 G C 0.956 175.892 174.900 0.061 0.000 0.995 261 G CA 0.233 45.387 45.100 0.091 0.000 0.651 261 G HN 1.726 nan 8.290 nan 0.000 0.511 262 G N -0.121 108.719 108.800 0.066 0.000 2.187 262 G HA2 0.145 4.104 3.960 -0.000 0.000 0.261 262 G HA3 0.145 4.104 3.960 -0.000 0.000 0.261 262 G C 0.922 175.842 174.900 0.035 0.000 1.000 262 G CA 1.265 46.391 45.100 0.044 0.000 0.718 262 G HN 2.320 nan 8.290 nan 0.000 0.519 263 A N 0.134 122.977 122.820 0.039 0.000 2.483 263 A HA 0.624 4.944 4.320 -0.000 0.000 0.238 263 A C -0.805 176.796 177.584 0.028 0.000 1.070 263 A CA -0.326 51.731 52.037 0.032 0.000 0.770 263 A CB 0.194 19.215 19.000 0.036 0.000 1.008 263 A HN 0.285 nan 8.150 nan 0.000 0.497 264 P HA 0.182 nan 4.420 nan 0.000 0.272 264 P C 0.034 177.347 177.300 0.022 0.000 1.240 264 P CA -0.495 62.616 63.100 0.018 0.000 0.791 264 P CB 0.424 32.132 31.700 0.013 0.000 0.978 265 V N 2.361 122.285 119.914 0.016 0.000 2.625 265 V HA -0.060 4.060 4.120 -0.000 0.000 0.305 265 V C 0.222 176.333 176.094 0.027 0.000 1.055 265 V CA 0.418 62.730 62.300 0.019 0.000 1.209 265 V CB -0.580 31.250 31.823 0.013 0.000 0.877 265 V HN 0.539 nan 8.190 nan 0.000 0.489 266 N N 6.799 125.526 118.700 0.045 0.000 2.469 266 N HA 0.329 5.069 4.740 -0.000 0.000 0.253 266 N C 0.756 176.309 175.510 0.072 0.000 0.970 266 N CA -0.566 52.529 53.050 0.076 0.000 0.940 266 N CB 1.183 39.740 38.487 0.117 0.000 1.128 266 N HN 0.665 nan 8.380 nan 0.000 0.503 267 R N 2.732 123.239 120.500 0.011 0.000 2.235 267 R HA 0.008 4.348 4.340 -0.000 0.000 0.213 267 R C 0.929 177.263 176.300 0.056 0.000 1.059 267 R CA 0.541 56.664 56.100 0.039 0.000 0.997 267 R CB -0.265 30.107 30.300 0.120 0.000 0.884 267 R HN 0.526 nan 8.270 nan 0.000 0.462 268 F N 0.865 120.908 119.950 0.156 0.000 2.113 268 F HA -0.083 4.444 4.527 -0.000 0.000 0.297 268 F C 2.344 178.179 175.800 0.059 0.000 1.103 268 F CA 0.892 58.964 58.000 0.119 0.000 1.248 268 F CB -0.659 38.383 39.000 0.069 0.000 0.999 268 F HN -0.135 nan 8.300 nan 0.000 0.475 269 I N -0.593 120.115 120.570 0.230 0.000 2.208 269 I HA -0.313 3.857 4.170 -0.000 0.000 0.245 269 I C 2.335 178.489 176.117 0.062 0.000 1.097 269 I CA 1.367 62.735 61.300 0.113 0.000 1.363 269 I CB -0.678 37.370 38.000 0.079 0.000 1.051 269 I HN 0.039 nan 8.210 nan 0.000 0.413 270 S N 0.184 115.919 115.700 0.059 0.000 2.419 270 S HA -0.116 4.354 4.470 -0.000 0.000 0.235 270 S C 1.721 176.323 174.600 0.003 0.000 1.019 270 S CA 1.302 59.517 58.200 0.025 0.000 0.982 270 S CB -0.268 62.947 63.200 0.024 0.000 0.789 270 S HN 0.773 nan 8.310 nan 0.000 0.490 271 G N 0.672 109.483 108.800 0.018 0.000 2.184 271 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.206 271 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.206 271 G C 0.298 175.158 174.900 -0.067 0.000 0.995 271 G CA 0.283 45.378 45.100 -0.008 0.000 0.651 271 G HN 0.445 nan 8.290 nan 0.000 0.511 272 D N -0.376 119.946 120.400 -0.130 0.000 2.323 272 D HA 0.265 4.905 4.640 -0.000 0.000 0.209 272 D C 0.483 176.330 176.300 -0.754 0.000 0.973 272 D CA 0.788 54.532 54.000 -0.427 0.000 0.874 272 D CB 0.194 40.691 40.800 -0.505 0.000 0.930 272 D HN 0.407 nan 8.370 nan 0.000 0.521 273 F N -0.460 119.442 119.950 -0.080 0.000 2.599 273 F HA 0.307 4.834 4.527 -0.000 0.000 0.311 273 F C 0.226 176.136 175.800 0.184 0.000 1.076 273 F CA -0.961 57.007 58.000 -0.054 0.000 0.937 273 F CB 1.770 40.556 39.000 -0.357 0.000 1.282 273 F HN -0.519 nan 8.300 nan 0.000 0.460 274 T N 3.354 118.148 114.554 0.400 0.000 2.733 274 T HA 0.393 4.743 4.350 -0.000 0.000 0.294 274 T C -0.499 174.423 174.700 0.370 0.000 0.956 274 T CA -0.354 61.930 62.100 0.307 0.000 0.987 274 T CB 0.608 69.572 68.868 0.160 0.000 0.920 274 T HN 0.418 nan 8.240 nan 0.000 0.470 275 L N 4.041 125.379 121.223 0.192 0.000 2.416 275 L HA 0.280 4.619 4.340 -0.000 0.000 0.272 275 L C 0.643 177.466 176.870 -0.078 0.000 1.161 275 L CA -0.087 54.638 54.840 -0.193 0.000 0.845 275 L CB 0.457 42.199 42.059 -0.529 0.000 1.119 275 L HN 0.509 nan 8.230 nan 0.000 0.464 285 L N 3.714 124.926 121.223 -0.019 0.000 2.401 285 L HA 0.410 4.750 4.340 -0.000 0.000 0.283 285 L C -0.008 176.849 176.870 -0.021 0.000 1.151 285 L CA 0.211 55.035 54.840 -0.028 0.000 0.942 285 L CB -1.085 40.963 42.059 -0.018 0.000 1.283 285 L HN 0.536 nan 8.230 nan 0.000 0.442 286 N N 1.748 120.428 118.700 -0.032 0.000 2.906 286 N HA 0.273 5.013 4.740 -0.000 0.000 0.327 286 N C 0.504 175.991 175.510 -0.037 0.000 1.344 286 N CA -0.268 52.769 53.050 -0.022 0.000 0.823 286 N CB 0.083 38.561 38.487 -0.016 0.000 1.351 286 N HN 0.448 nan 8.380 nan 0.000 0.604 287 Q N -0.218 119.569 119.800 -0.021 0.000 2.096 287 Q HA -0.117 4.223 4.340 -0.000 0.000 0.204 287 Q C 1.324 177.292 176.000 -0.053 0.000 0.982 287 Q CA 1.169 56.956 55.803 -0.026 0.000 0.850 287 Q CB -0.284 28.455 28.738 0.001 0.000 0.901 287 Q HN 0.515 nan 8.270 nan 0.000 0.422 288 R N 1.002 121.473 120.500 -0.048 0.000 2.083 288 R HA -0.117 4.223 4.340 -0.000 0.000 0.237 288 R C 2.439 178.687 176.300 -0.087 0.000 1.137 288 R CA 1.771 57.834 56.100 -0.060 0.000 0.951 288 R CB -0.317 29.956 30.300 -0.046 0.000 0.851 288 R HN 0.305 nan 8.270 nan 0.000 0.434 289 K N 0.902 121.249 120.400 -0.089 0.000 2.057 289 K HA -0.161 4.159 4.320 -0.000 0.000 0.207 289 K C 2.109 178.607 176.600 -0.170 0.000 1.049 289 K CA 1.013 57.232 56.287 -0.114 0.000 0.931 289 K CB -0.132 32.312 32.500 -0.093 0.000 0.714 289 K HN 0.015 nan 8.250 nan 0.000 0.440 290 L N 0.976 122.088 121.223 -0.185 0.000 1.989 290 L HA -0.175 4.165 4.340 -0.000 0.000 0.211 290 L C 1.980 178.680 176.870 -0.282 0.000 1.071 290 L CA 1.634 56.301 54.840 -0.288 0.000 0.749 290 L CB -0.605 41.282 42.059 -0.287 0.000 0.890 290 L HN 0.023 nan 8.230 nan 0.000 0.431 291 V N 0.220 120.025 119.914 -0.183 0.000 2.343 291 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 291 V C 2.842 178.827 176.094 -0.182 0.000 1.051 291 V CA 1.615 63.830 62.300 -0.141 0.000 1.036 291 V CB -1.454 30.332 31.823 -0.063 0.000 0.654 291 V HN 0.647 nan 8.190 nan 0.000 0.451 292 A N -0.008 122.699 122.820 -0.189 0.000 1.908 292 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 292 A C 2.377 179.790 177.584 -0.285 0.000 1.181 292 A CA 1.992 53.893 52.037 -0.226 0.000 0.627 292 A CB -0.526 18.365 19.000 -0.181 0.000 0.818 292 A HN 0.507 nan 8.150 nan 0.000 0.445 293 R N -1.326 118.990 120.500 -0.306 0.000 2.091 293 R HA -0.157 4.183 4.340 -0.000 0.000 0.238 293 R C 2.463 178.390 176.300 -0.620 0.000 1.136 293 R CA 1.717 57.575 56.100 -0.404 0.000 0.959 293 R CB -0.255 29.807 30.300 -0.398 0.000 0.856 293 R HN 0.431 nan 8.270 nan 0.000 0.437 294 R N 0.912 121.056 120.500 -0.594 0.000 2.115 294 R HA 0.033 4.373 4.340 -0.000 0.000 0.226 294 R C 1.904 178.004 176.300 -0.334 0.000 1.100 294 R CA 1.559 57.253 56.100 -0.676 0.000 0.980 294 R CB -0.564 29.478 30.300 -0.429 0.000 0.875 294 R HN 0.220 nan 8.270 nan 0.000 0.445 295 A N 0.642 123.331 122.820 -0.219 0.000 1.933 295 A HA -0.128 4.191 4.320 -0.000 0.000 0.218 295 A C 1.998 179.541 177.584 -0.069 0.000 1.175 295 A CA 1.477 53.469 52.037 -0.074 0.000 0.628 295 A CB -0.691 18.169 19.000 -0.232 0.000 0.814 295 A HN 0.360 nan 8.150 nan 0.000 0.444 296 L N -1.363 119.721 121.223 -0.232 0.000 2.131 296 L HA -0.083 4.257 4.340 -0.000 0.000 0.210 296 L C 1.978 178.833 176.870 -0.026 0.000 1.092 296 L CA 1.657 56.372 54.840 -0.209 0.000 0.759 296 L CB -0.811 41.037 42.059 -0.351 0.000 0.903 296 L HN 0.345 nan 8.230 nan 0.000 0.435 297 F N 0.296 120.072 119.950 -0.289 0.000 2.236 297 F HA -0.182 4.345 4.527 -0.000 0.000 0.302 297 F C 2.416 178.255 175.800 0.065 0.000 1.073 297 F CA 0.994 58.956 58.000 -0.062 0.000 1.336 297 F CB -0.797 38.185 39.000 -0.031 0.000 1.040 297 F HN 0.252 nan 8.300 nan 0.000 0.507 298 E N -0.766 119.573 120.200 0.231 0.000 2.427 298 E HA -0.086 4.264 4.350 -0.000 0.000 0.196 298 E C 1.042 177.683 176.600 0.068 0.000 1.028 298 E CA 0.124 56.604 56.400 0.133 0.000 0.864 298 E CB -0.252 29.506 29.700 0.097 0.000 0.813 298 E HN 0.259 nan 8.360 nan 0.000 0.514 299 M N 1.451 121.095 119.600 0.074 0.000 2.227 299 M HA 0.162 4.642 4.480 -0.000 0.000 0.316 299 M C 0.073 176.363 176.300 -0.015 0.000 1.144 299 M CA -0.156 55.105 55.300 -0.065 0.000 1.121 299 M CB 0.687 33.088 32.600 -0.332 0.000 1.440 299 M HN -0.088 nan 8.290 nan 0.000 0.473 300 R N 0.962 121.433 120.500 -0.048 0.000 2.781 300 R HA 0.554 4.894 4.340 -0.000 0.000 0.269 300 R C -1.244 175.087 176.300 0.052 0.000 1.025 300 R CA -1.142 54.961 56.100 0.006 0.000 0.914 300 R CB 0.866 31.170 30.300 0.006 0.000 1.236 300 R HN 0.573 nan 8.270 nan 0.000 0.465 301 K N 0.342 120.783 120.400 0.068 0.000 2.451 301 K HA 0.167 4.486 4.320 -0.000 0.000 0.280 301 K C 0.672 177.334 176.600 0.104 0.000 1.020 301 K CA 1.388 57.741 56.287 0.110 0.000 1.008 301 K CB 0.553 33.091 32.500 0.065 0.000 0.917 301 K HN 0.921 nan 8.250 nan 0.000 0.478 302 G N 1.212 110.097 108.800 0.143 0.000 2.179 302 G HA2 -0.315 3.644 3.960 -0.000 0.000 0.260 302 G HA3 -0.315 3.644 3.960 -0.000 0.000 0.260 302 G C 0.237 175.213 174.900 0.127 0.000 0.977 302 G CA 0.091 45.260 45.100 0.115 0.000 0.641 302 G HN 0.848 nan 8.290 nan 0.000 0.533 303 A N -0.254 122.654 122.820 0.146 0.000 2.407 303 A HA 0.657 4.977 4.320 -0.000 0.000 0.248 303 A C 0.465 178.159 177.584 0.182 0.000 1.082 303 A CA 0.399 52.509 52.037 0.121 0.000 0.785 303 A CB 0.997 20.028 19.000 0.052 0.000 1.020 303 A HN 1.147 nan 8.150 nan 0.000 0.489 304 V N 2.457 122.466 119.914 0.159 0.000 2.350 304 V HA 0.600 4.720 4.120 -0.000 0.000 0.276 304 V C 0.899 177.088 176.094 0.157 0.000 1.028 304 V CA 0.274 62.696 62.300 0.205 0.000 0.860 304 V CB 0.899 32.894 31.823 0.287 0.000 0.990 304 V HN 1.153 nan 8.190 nan 0.000 0.453 305 G N 3.050 111.963 108.800 0.189 0.000 2.644 305 G HA2 0.521 4.481 3.960 -0.000 0.000 0.307 305 G HA3 0.521 4.481 3.960 -0.000 0.000 0.307 305 G C -0.960 174.014 174.900 0.122 0.000 1.250 305 G CA -0.633 44.542 45.100 0.125 0.000 0.996 305 G HN 0.585 nan 8.290 nan 0.000 0.489 306 N N 0.302 119.032 118.700 0.050 0.000 2.558 306 N HA 0.221 4.961 4.740 -0.000 0.000 0.285 306 N C -1.265 174.322 175.510 0.127 0.000 1.112 306 N CA -0.299 52.777 53.050 0.043 0.000 0.857 306 N CB 2.138 40.534 38.487 -0.152 0.000 1.376 306 N HN 0.169 nan 8.380 nan 0.000 0.526 307 V N 2.370 122.392 119.914 0.180 0.000 2.488 307 V HA 0.500 4.620 4.120 -0.000 0.000 0.277 307 V C 1.333 177.484 176.094 0.095 0.000 1.046 307 V CA -0.204 62.190 62.300 0.157 0.000 0.986 307 V CB 0.928 32.788 31.823 0.062 0.000 0.989 307 V HN 0.674 nan 8.190 nan 0.000 0.475 308 G N 3.357 112.215 108.800 0.098 0.000 2.552 308 G HA2 0.546 4.506 3.960 -0.000 0.000 0.318 308 G HA3 0.546 4.506 3.960 -0.000 0.000 0.318 308 G C -0.415 174.534 174.900 0.083 0.000 1.240 308 G CA -0.747 44.410 45.100 0.095 0.000 1.002 308 G HN 0.588 nan 8.290 nan 0.000 0.493 309 V N 0.812 120.786 119.914 0.099 0.000 2.694 309 V HA 0.460 4.580 4.120 -0.000 0.000 0.306 309 V C 1.339 177.480 176.094 0.079 0.000 1.054 309 V CA 1.374 63.724 62.300 0.084 0.000 1.161 309 V CB -0.267 31.615 31.823 0.099 0.000 0.916 309 V HN 1.892 nan 8.190 nan 0.000 0.490 310 G N 3.569 112.398 108.800 0.049 0.000 2.418 310 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.206 310 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.206 310 G C 0.458 175.359 174.900 0.002 0.000 1.202 310 G CA -0.050 45.068 45.100 0.030 0.000 1.061 310 G HN 0.842 nan 8.290 nan 0.000 0.563 311 I N 1.570 122.128 120.570 -0.019 0.000 2.530 311 I HA 0.024 4.194 4.170 -0.000 0.000 0.257 311 I C 2.748 178.836 176.117 -0.048 0.000 1.179 311 I CA 2.520 63.796 61.300 -0.040 0.000 1.440 311 I CB -0.287 37.675 38.000 -0.063 0.000 1.087 311 I HN 0.814 nan 8.210 nan 0.000 0.440 312 A N 0.897 123.698 122.820 -0.032 0.000 1.970 312 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 312 A C 1.801 179.325 177.584 -0.100 0.000 1.170 312 A CA 1.365 53.358 52.037 -0.073 0.000 0.645 312 A CB -0.682 18.312 19.000 -0.010 0.000 0.816 312 A HN 0.656 nan 8.150 nan 0.000 0.447 313 D N 0.044 120.417 120.400 -0.046 0.000 2.362 313 D HA -0.074 4.566 4.640 -0.000 0.000 0.215 313 D C 1.397 177.666 176.300 -0.051 0.000 0.978 313 D CA 1.260 55.240 54.000 -0.034 0.000 0.921 313 D CB -0.980 39.816 40.800 -0.007 0.000 0.895 313 D HN 0.313 nan 8.370 nan 0.000 0.494 314 G N -0.111 108.644 108.800 -0.074 0.000 2.813 314 G HA2 0.004 3.964 3.960 -0.000 0.000 0.209 314 G HA3 0.004 3.964 3.960 -0.000 0.000 0.209 314 G C 1.592 176.436 174.900 -0.093 0.000 1.150 314 G CA 0.133 45.188 45.100 -0.075 0.000 0.785 314 G HN 0.363 nan 8.290 nan 0.000 0.535 315 I N 1.393 121.880 120.570 -0.139 0.000 2.264 315 I HA -0.137 4.033 4.170 -0.000 0.000 0.248 315 I C 3.009 179.110 176.117 -0.027 0.000 1.111 315 I CA 1.125 62.326 61.300 -0.164 0.000 1.382 315 I CB -0.260 37.526 38.000 -0.358 0.000 1.060 315 I HN 0.219 nan 8.210 nan 0.000 0.418 316 G N 1.145 109.950 108.800 0.009 0.000 2.421 316 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.216 316 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.216 316 G C 1.690 176.604 174.900 0.023 0.000 1.171 316 G CA 0.616 45.745 45.100 0.049 0.000 0.775 316 G HN 0.275 nan 8.290 nan 0.000 0.543 317 L N 0.232 121.452 121.223 -0.005 0.000 2.046 317 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 317 L C 3.013 179.882 176.870 -0.003 0.000 1.077 317 L CA 0.486 55.320 54.840 -0.011 0.000 0.747 317 L CB -0.601 41.444 42.059 -0.023 0.000 0.896 317 L HN 0.082 nan 8.230 nan 0.000 0.432 318 V N 0.188 120.092 119.914 -0.016 0.000 2.287 318 V HA -0.335 3.785 4.120 -0.000 0.000 0.248 318 V C 2.799 178.915 176.094 0.038 0.000 1.053 318 V CA 1.902 64.191 62.300 -0.019 0.000 1.027 318 V CB -1.064 30.711 31.823 -0.079 0.000 0.646 318 V HN 0.501 nan 8.190 nan 0.000 0.447 319 A N 0.008 122.881 122.820 0.089 0.000 1.908 319 A HA -0.255 4.065 4.320 -0.000 0.000 0.218 319 A C 2.373 180.034 177.584 0.129 0.000 1.181 319 A CA 2.049 54.203 52.037 0.194 0.000 0.627 319 A CB -0.522 18.695 19.000 0.361 0.000 0.818 319 A HN 0.527 nan 8.150 nan 0.000 0.445 320 R N -0.761 119.776 120.500 0.061 0.000 2.083 320 R HA -0.160 4.180 4.340 -0.000 0.000 0.237 320 R C 2.324 178.647 176.300 0.038 0.000 1.137 320 R CA 1.558 57.675 56.100 0.028 0.000 0.951 320 R CB -0.354 29.945 30.300 -0.001 0.000 0.851 320 R HN 0.767 nan 8.270 nan 0.000 0.434 321 E N 0.616 120.839 120.200 0.038 0.000 2.085 321 E HA -0.195 4.155 4.350 -0.000 0.000 0.194 321 E C 1.250 177.889 176.600 0.064 0.000 0.994 321 E CA 1.123 57.546 56.400 0.038 0.000 0.801 321 E CB 0.228 29.942 29.700 0.024 0.000 0.743 321 E HN 0.247 nan 8.360 nan 0.000 0.453 322 E N -0.895 119.367 120.200 0.104 0.000 2.489 322 E HA 0.026 4.376 4.350 -0.000 0.000 0.193 322 E C 0.917 177.598 176.600 0.136 0.000 1.057 322 E CA 0.690 57.182 56.400 0.153 0.000 0.866 322 E CB 0.690 30.554 29.700 0.273 0.000 0.916 322 E HN 0.430 nan 8.360 nan 0.000 0.500 323 G N 1.932 110.793 108.800 0.101 0.000 2.198 323 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.257 323 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.257 323 G C 0.830 175.781 174.900 0.084 0.000 1.042 323 G CA 0.478 45.621 45.100 0.071 0.000 0.791 323 G HN 0.442 nan 8.290 nan 0.000 0.502 324 C N -2.675 116.710 119.300 0.141 0.000 3.386 324 C HA 0.796 5.256 4.460 -0.000 0.000 0.279 324 C C 2.486 177.577 174.990 0.167 0.000 1.508 324 C CA 0.445 59.570 59.018 0.179 0.000 1.801 324 C CB -0.056 27.846 27.740 0.270 0.000 2.798 324 C HN 1.391 nan 8.230 nan 0.000 0.605 325 A N 1.412 124.254 122.820 0.037 0.000 2.024 325 A HA -0.120 4.200 4.320 -0.000 0.000 0.220 325 A C 1.651 178.995 177.584 -0.400 0.000 1.164 325 A CA 2.179 54.089 52.037 -0.212 0.000 0.643 325 A CB -0.436 18.488 19.000 -0.126 0.000 0.806 325 A HN 0.618 nan 8.150 nan 0.000 0.451 326 D N -0.333 119.955 120.400 -0.187 0.000 2.339 326 D HA 0.025 4.665 4.640 -0.000 0.000 0.217 326 D C 0.222 176.459 176.300 -0.105 0.000 1.050 326 D CA 0.315 54.221 54.000 -0.157 0.000 0.856 326 D CB 0.077 40.830 40.800 -0.078 0.000 0.922 326 D HN 0.363 nan 8.370 nan 0.000 0.518 327 D N -0.362 120.008 120.400 -0.050 0.000 2.367 327 D HA 0.076 4.716 4.640 -0.000 0.000 0.207 327 D C 0.593 177.014 176.300 0.202 0.000 1.034 327 D CA 0.135 54.190 54.000 0.091 0.000 0.861 327 D CB 0.458 41.356 40.800 0.164 0.000 0.943 327 D HN 0.296 nan 8.370 nan 0.000 0.515 328 F N -0.930 119.049 119.950 0.047 0.000 2.692 328 F HA 0.647 5.174 4.527 -0.000 0.000 0.320 328 F C -1.336 174.494 175.800 0.050 0.000 1.123 328 F CA -1.740 56.293 58.000 0.055 0.000 0.961 328 F CB 1.193 40.240 39.000 0.079 0.000 1.383 328 F HN -0.314 nan 8.300 nan 0.000 0.483 329 I N 2.108 122.800 120.570 0.203 0.000 2.498 329 I HA 0.557 4.727 4.170 -0.000 0.000 0.290 329 I C -1.642 174.601 176.117 0.209 0.000 1.032 329 I CA -0.857 60.485 61.300 0.071 0.000 1.073 329 I CB 1.779 39.806 38.000 0.044 0.000 1.251 329 I HN 0.649 nan 8.210 nan 0.000 0.426 330 L N 6.606 127.911 121.223 0.136 0.000 2.309 330 L HA 0.652 4.992 4.340 -0.000 0.000 0.282 330 L C 0.045 176.980 176.870 0.107 0.000 1.036 330 L CA -0.571 54.375 54.840 0.177 0.000 0.806 330 L CB 1.786 43.959 42.059 0.189 0.000 1.220 330 L HN 0.672 nan 8.230 nan 0.000 0.429 331 T N -0.280 114.356 114.554 0.138 0.000 2.912 331 T HA 0.709 5.059 4.350 -0.000 0.000 0.288 331 T C -0.454 174.326 174.700 0.134 0.000 1.030 331 T CA -0.763 61.410 62.100 0.122 0.000 1.020 331 T CB 1.996 70.978 68.868 0.189 0.000 1.056 331 T HN 0.171 nan 8.240 nan 0.000 0.480 332 V N 2.172 122.134 119.914 0.079 0.000 2.435 332 V HA 0.602 4.721 4.120 -0.000 0.000 0.290 332 V C 1.826 177.944 176.094 0.040 0.000 1.030 332 V CA 0.055 62.393 62.300 0.064 0.000 0.881 332 V CB 0.486 32.318 31.823 0.015 0.000 0.983 332 V HN 1.215 nan 8.190 nan 0.000 0.445 333 E N 2.580 122.831 120.200 0.084 0.000 2.187 333 E HA -0.278 4.072 4.350 -0.000 0.000 0.199 333 E C 1.903 178.325 176.600 -0.296 0.000 1.004 333 E CA 2.114 58.464 56.400 -0.084 0.000 0.813 333 E CB -0.720 29.047 29.700 0.113 0.000 0.736 333 E HN 1.011 nan 8.360 nan 0.000 0.468 334 T N -4.927 109.584 114.554 -0.073 0.000 3.113 334 T HA 0.434 4.784 4.350 -0.000 0.000 0.256 334 T C 1.704 176.356 174.700 -0.080 0.000 1.131 334 T CA 1.127 63.210 62.100 -0.029 0.000 1.074 334 T CB 0.639 69.521 68.868 0.023 0.000 0.944 334 T HN 1.228 nan 8.240 nan 0.000 0.516 335 G N 1.007 109.730 108.800 -0.128 0.000 3.709 335 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.196 335 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.196 335 G C -2.665 172.161 174.900 -0.123 0.000 1.177 335 G CA -0.646 44.375 45.100 -0.132 0.000 0.906 335 G HN 0.471 nan 8.290 nan 0.000 0.416 336 P HA 0.480 nan 4.420 nan 0.000 0.266 336 P C -0.346 176.913 177.300 -0.067 0.000 1.195 336 P CA 0.578 63.622 63.100 -0.093 0.000 0.768 336 P CB 0.768 32.422 31.700 -0.076 0.000 0.838 337 I N 1.881 122.411 120.570 -0.067 0.000 2.447 337 I HA 0.537 4.707 4.170 -0.000 0.000 0.287 337 I C 0.765 176.855 176.117 -0.046 0.000 1.023 337 I CA -0.138 61.130 61.300 -0.054 0.000 1.083 337 I CB 1.501 39.450 38.000 -0.084 0.000 1.245 337 I HN 0.612 nan 8.210 nan 0.000 0.434 338 G N 4.043 112.824 108.800 -0.032 0.000 2.698 338 G HA2 0.317 4.277 3.960 -0.000 0.000 0.233 338 G HA3 0.317 4.277 3.960 -0.000 0.000 0.233 338 G C 0.040 174.915 174.900 -0.042 0.000 1.352 338 G CA -0.155 44.918 45.100 -0.045 0.000 0.879 338 G HN 1.741 nan 8.290 nan 0.000 0.567 339 G N -2.127 106.643 108.800 -0.050 0.000 2.612 339 G HA2 0.525 4.485 3.960 -0.000 0.000 0.686 339 G HA3 0.525 4.485 3.960 -0.000 0.000 0.686 339 G C -0.268 174.605 174.900 -0.044 0.000 1.274 339 G CA 0.210 45.286 45.100 -0.040 0.000 0.849 339 G HN 2.462 nan 8.290 nan 0.000 0.595 340 I N -2.911 117.635 120.570 -0.040 0.000 3.002 340 I HA 0.885 5.055 4.170 -0.000 0.000 0.310 340 I C 0.391 176.484 176.117 -0.039 0.000 1.087 340 I CA -1.093 60.180 61.300 -0.044 0.000 1.017 340 I CB 1.934 39.902 38.000 -0.053 0.000 1.226 340 I HN 0.610 nan 8.210 nan 0.000 0.443 350 N N -0.962 117.732 118.700 -0.010 0.000 2.483 350 N HA 0.578 5.318 4.740 -0.000 0.000 0.269 350 N C -0.170 175.340 175.510 0.001 0.000 1.209 350 N CA 0.040 53.083 53.050 -0.011 0.000 0.969 350 N CB 1.484 39.961 38.487 -0.018 0.000 1.173 350 N HN 0.873 nan 8.380 nan 0.000 0.475 351 V N -1.030 118.883 119.914 -0.000 0.000 3.155 351 V HA 0.515 4.635 4.120 -0.000 0.000 0.313 351 V C -0.048 176.055 176.094 0.015 0.000 1.162 351 V CA -0.964 61.354 62.300 0.030 0.000 1.048 351 V CB 1.721 33.564 31.823 0.034 0.000 1.092 351 V HN 0.775 nan 8.190 nan 0.000 0.447 352 N N 0.169 118.898 118.700 0.047 0.000 2.735 352 N HA -0.154 4.586 4.740 -0.000 0.000 0.248 352 N C 0.356 175.863 175.510 -0.004 0.000 1.083 352 N CA 1.365 54.431 53.050 0.027 0.000 0.703 352 N CB -1.978 36.513 38.487 0.006 0.000 1.005 352 N HN 1.404 nan 8.380 nan 0.000 0.550 353 T N -2.989 111.560 114.554 -0.009 0.000 2.856 353 T HA 0.296 4.646 4.350 -0.000 0.000 0.306 353 T C 1.443 176.122 174.700 -0.034 0.000 1.062 353 T CA -0.267 61.815 62.100 -0.030 0.000 1.083 353 T CB 1.541 70.384 68.868 -0.042 0.000 0.984 353 T HN 0.034 nan 8.240 nan 0.000 0.542 354 R N 0.801 121.275 120.500 -0.044 0.000 2.189 354 R HA 0.513 4.853 4.340 -0.000 0.000 0.203 354 R C 0.757 177.028 176.300 -0.049 0.000 1.012 354 R CA 0.687 56.760 56.100 -0.045 0.000 1.015 354 R CB -0.529 29.741 30.300 -0.049 0.000 0.938 354 R HN 0.898 nan 8.270 nan 0.000 0.472 355 A N 0.350 123.137 122.820 -0.056 0.000 2.566 355 A HA 0.663 4.983 4.320 -0.000 0.000 0.290 355 A C -1.557 175.985 177.584 -0.069 0.000 1.071 355 A CA -0.656 51.347 52.037 -0.056 0.000 0.658 355 A CB 1.113 20.073 19.000 -0.065 0.000 1.285 355 A HN 0.061 nan 8.150 nan 0.000 0.427 356 I N 1.561 122.100 120.570 -0.052 0.000 2.503 356 I HA 0.304 4.473 4.170 -0.000 0.000 0.282 356 I C -0.700 175.437 176.117 0.035 0.000 1.059 356 I CA -0.189 61.058 61.300 -0.088 0.000 1.081 356 I CB 1.443 39.279 38.000 -0.273 0.000 1.210 356 I HN 0.507 nan 8.210 nan 0.000 0.450 357 L N 4.598 125.809 121.223 -0.021 0.000 2.439 357 L HA 0.339 4.679 4.340 -0.000 0.000 0.259 357 L C 0.436 177.349 176.870 0.071 0.000 1.129 357 L CA -0.740 54.103 54.840 0.004 0.000 0.803 357 L CB 0.678 42.675 42.059 -0.103 0.000 1.161 357 L HN 0.621 nan 8.230 nan 0.000 0.462 358 D N 1.265 121.702 120.400 0.062 0.000 2.382 358 D HA -0.060 4.580 4.640 -0.000 0.000 0.240 358 D C 0.838 177.130 176.300 -0.013 0.000 1.146 358 D CA -0.366 53.662 54.000 0.046 0.000 0.897 358 D CB 1.497 42.276 40.800 -0.035 0.000 1.197 358 D HN 0.630 nan 8.370 nan 0.000 0.432 359 M N 1.625 121.233 119.600 0.014 0.000 2.080 359 M HA -0.210 4.270 4.480 -0.000 0.000 0.260 359 M C 1.685 178.025 176.300 0.067 0.000 1.068 359 M CA 1.897 57.210 55.300 0.022 0.000 1.109 359 M CB -0.258 32.412 32.600 0.116 0.000 1.342 359 M HN 0.528 nan 8.290 nan 0.000 0.405 360 T N 0.164 114.765 114.554 0.079 0.000 2.699 360 T HA -0.139 4.211 4.350 -0.000 0.000 0.268 360 T C 1.822 176.530 174.700 0.015 0.000 1.036 360 T CA 1.924 64.071 62.100 0.078 0.000 1.147 360 T CB -0.480 68.408 68.868 0.033 0.000 0.862 360 T HN 0.471 nan 8.240 nan 0.000 0.446 361 S N 1.047 116.725 115.700 -0.036 0.000 2.402 361 S HA -0.123 4.347 4.470 -0.000 0.000 0.229 361 S C 2.164 176.687 174.600 -0.129 0.000 1.021 361 S CA 1.018 59.179 58.200 -0.065 0.000 0.974 361 S CB -0.336 62.822 63.200 -0.071 0.000 0.800 361 S HN 0.417 nan 8.310 nan 0.000 0.484 362 Q N 0.648 120.306 119.800 -0.236 0.000 2.084 362 Q HA -0.036 4.304 4.340 -0.000 0.000 0.202 362 Q C 1.491 177.063 176.000 -0.714 0.000 0.978 362 Q CA 1.672 57.175 55.803 -0.499 0.000 0.844 362 Q CB -0.403 27.963 28.738 -0.620 0.000 0.898 362 Q HN 0.517 nan 8.270 nan 0.000 0.426 363 F N 0.548 120.253 119.950 -0.408 0.000 2.259 363 F HA -0.083 4.444 4.527 -0.000 0.000 0.298 363 F C 1.786 177.304 175.800 -0.470 0.000 1.088 363 F CA 1.034 58.770 58.000 -0.441 0.000 1.358 363 F CB -0.252 38.526 39.000 -0.370 0.000 1.040 363 F HN 0.138 nan 8.300 nan 0.000 0.505 364 D N -0.051 120.281 120.400 -0.113 0.000 2.106 364 D HA -0.262 4.378 4.640 -0.000 0.000 0.191 364 D C 2.136 178.473 176.300 0.061 0.000 0.997 364 D CA 1.412 55.396 54.000 -0.026 0.000 0.834 364 D CB -0.864 39.946 40.800 0.017 0.000 0.956 364 D HN 0.249 nan 8.370 nan 0.000 0.448 365 F N 0.963 120.848 119.950 -0.107 0.000 2.095 365 F HA -0.288 4.239 4.527 -0.000 0.000 0.298 365 F C 2.180 178.054 175.800 0.123 0.000 1.104 365 F CA 1.337 59.316 58.000 -0.036 0.000 1.232 365 F CB -0.431 38.497 39.000 -0.120 0.000 0.987 365 F HN -0.078 nan 8.300 nan 0.000 0.475 366 Y N 0.215 120.486 120.300 -0.049 0.000 2.145 366 Y HA -0.198 4.352 4.550 -0.000 0.000 0.286 366 Y C 2.811 178.741 175.900 0.051 0.000 1.145 366 Y CA 1.537 59.590 58.100 -0.077 0.000 1.148 366 Y CB -1.726 36.784 38.460 0.083 0.000 0.981 366 Y HN 0.322 nan 8.280 nan 0.000 0.507 367 H N -1.597 117.593 119.070 0.199 0.000 2.387 367 H HA -0.106 4.450 4.556 -0.000 0.000 0.299 367 H C 2.004 177.359 175.328 0.045 0.000 1.099 367 H CA 0.541 56.662 56.048 0.121 0.000 1.315 367 H CB -0.219 29.613 29.762 0.116 0.000 1.380 367 H HN 0.343 nan 8.280 nan 0.000 0.513 368 G N -0.686 108.189 108.800 0.124 0.000 3.262 368 G HA2 0.249 4.209 3.960 -0.000 0.000 0.228 368 G HA3 0.249 4.209 3.960 -0.000 0.000 0.228 368 G C 0.980 175.850 174.900 -0.049 0.000 1.197 368 G CA 0.315 45.436 45.100 0.035 0.000 0.819 368 G HN 0.572 nan 8.290 nan 0.000 0.531 369 G N -0.921 107.834 108.800 -0.074 0.000 2.137 369 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.237 369 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.237 369 G C 1.278 176.029 174.900 -0.248 0.000 1.002 369 G CA 0.393 45.421 45.100 -0.120 0.000 0.702 369 G HN 0.962 nan 8.290 nan 0.000 0.515 370 G N -0.258 108.229 108.800 -0.521 0.000 2.450 370 G HA2 0.110 4.070 3.960 -0.000 0.000 0.220 370 G HA3 0.110 4.070 3.960 -0.000 0.000 0.220 370 G C 0.964 175.550 174.900 -0.523 0.000 1.130 370 G CA 0.723 45.183 45.100 -1.066 0.000 0.760 370 G HN 0.702 nan 8.290 nan 0.000 0.557 371 L N 1.511 122.542 121.223 -0.321 0.000 2.360 371 L HA 0.187 4.527 4.340 -0.000 0.000 0.276 371 L C 0.651 177.443 176.870 -0.130 0.000 1.121 371 L CA -0.658 54.095 54.840 -0.146 0.000 0.845 371 L CB 1.149 43.067 42.059 -0.236 0.000 1.143 371 L HN 0.065 nan 8.230 nan 0.000 0.452 372 D N 2.076 122.435 120.400 -0.068 0.000 2.194 372 D HA 0.005 4.645 4.640 -0.000 0.000 0.204 372 D C 0.245 176.458 176.300 -0.145 0.000 0.964 372 D CA 1.183 55.137 54.000 -0.078 0.000 0.846 372 D CB 0.537 41.323 40.800 -0.024 0.000 0.962 372 D HN 0.215 nan 8.370 nan 0.000 0.490 373 V N 1.300 121.099 119.914 -0.193 0.000 2.686 373 V HA 0.300 4.420 4.120 -0.000 0.000 0.306 373 V C -0.041 175.785 176.094 -0.446 0.000 1.065 373 V CA -1.198 60.887 62.300 -0.359 0.000 0.894 373 V CB 2.164 33.745 31.823 -0.403 0.000 1.004 373 V HN 0.298 nan 8.190 nan 0.000 0.424 374 C N 3.095 122.056 119.300 -0.565 0.000 2.561 374 C HA 0.896 5.356 4.460 -0.000 0.000 0.319 374 C C -1.167 173.415 174.990 -0.679 0.000 1.198 374 C CA -0.862 57.839 59.018 -0.529 0.000 1.665 374 C CB 0.909 28.389 27.740 -0.434 0.000 2.258 374 C HN 0.753 nan 8.230 nan 0.000 0.493 375 Y N 2.287 122.452 120.300 -0.226 0.000 2.328 375 Y HA 0.778 5.328 4.550 -0.000 0.000 0.336 375 Y C 0.102 175.905 175.900 -0.163 0.000 0.960 375 Y CA -0.697 57.287 58.100 -0.193 0.000 1.134 375 Y CB 1.277 39.671 38.460 -0.110 0.000 1.166 375 Y HN 0.654 nan 8.280 nan 0.000 0.464 376 L N 1.759 122.955 121.223 -0.045 0.000 2.371 376 L HA 0.584 4.924 4.340 -0.000 0.000 0.262 376 L C -0.227 176.814 176.870 0.285 0.000 1.006 376 L CA -0.890 53.994 54.840 0.073 0.000 0.818 376 L CB 2.464 44.454 42.059 -0.115 0.000 1.354 376 L HN 0.477 nan 8.230 nan 0.000 0.415 377 S N 0.995 116.892 115.700 0.329 0.000 2.632 377 S HA 0.666 5.136 4.470 -0.000 0.000 0.271 377 S C -0.807 174.023 174.600 0.384 0.000 1.260 377 S CA -0.393 57.948 58.200 0.237 0.000 1.010 377 S CB 0.848 64.108 63.200 0.099 0.000 0.965 377 S HN 0.364 nan 8.310 nan 0.000 0.534 378 F N -0.709 119.326 119.950 0.140 0.000 2.551 378 F HA 0.837 5.364 4.527 -0.000 0.000 0.316 378 F C 0.348 176.016 175.800 -0.220 0.000 1.089 378 F CA -1.250 56.732 58.000 -0.029 0.000 0.915 378 F CB 0.955 39.907 39.000 -0.080 0.000 1.186 378 F HN 0.533 nan 8.300 nan 0.000 0.456 379 A N 1.616 124.294 122.820 -0.238 0.000 1.887 379 A HA 0.311 4.631 4.320 -0.000 0.000 0.212 379 A C 0.231 177.696 177.584 -0.198 0.000 1.198 379 A CA 0.615 52.315 52.037 -0.560 0.000 0.628 379 A CB -0.251 17.915 19.000 -1.390 0.000 0.847 379 A HN 0.826 nan 8.150 nan 0.000 0.449 380 E N -1.001 119.126 120.200 -0.122 0.000 2.314 380 E HA 0.562 4.912 4.350 -0.000 0.000 0.272 380 E C -1.888 174.543 176.600 -0.281 0.000 0.884 380 E CA -0.649 55.664 56.400 -0.145 0.000 0.753 380 E CB 2.708 32.338 29.700 -0.117 0.000 1.213 380 E HN 0.047 nan 8.360 nan 0.000 0.432 381 V N 2.228 121.825 119.914 -0.527 0.000 2.656 381 V HA 0.306 4.426 4.120 -0.000 0.000 0.307 381 V C -0.491 175.400 176.094 -0.339 0.000 1.051 381 V CA -0.798 61.117 62.300 -0.643 0.000 0.893 381 V CB 1.843 32.861 31.823 -1.341 0.000 0.999 381 V HN 0.787 nan 8.190 nan 0.000 0.426 382 D N 2.117 122.361 120.400 -0.260 0.000 2.592 382 D HA 0.236 4.876 4.640 -0.000 0.000 0.259 382 D C 0.994 176.833 176.300 -0.769 0.000 1.144 382 D CA -0.566 53.276 54.000 -0.262 0.000 1.080 382 D CB 0.857 41.572 40.800 -0.141 0.000 1.225 382 D HN 0.530 nan 8.370 nan 0.000 0.619 383 Q N -0.943 118.129 119.800 -1.214 0.000 2.291 383 Q HA -0.191 4.149 4.340 -0.000 0.000 0.206 383 Q C 0.782 176.179 176.000 -1.006 0.000 0.976 383 Q CA 1.230 55.962 55.803 -1.784 0.000 0.875 383 Q CB -0.457 27.518 28.738 -1.272 0.000 0.927 383 Q HN 0.521 nan 8.270 nan 0.000 0.450 384 H N -0.295 118.525 119.070 -0.418 0.000 2.548 384 H HA 0.195 4.751 4.556 -0.000 0.000 0.265 384 H C 1.257 176.504 175.328 -0.134 0.000 0.969 384 H CA 0.836 56.755 56.048 -0.216 0.000 1.155 384 H CB 0.873 30.548 29.762 -0.146 0.000 1.394 384 H HN 0.593 nan 8.280 nan 0.000 0.570 385 G N 1.252 109.973 108.800 -0.132 0.000 2.176 385 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.253 385 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.253 385 G C 0.030 175.055 174.900 0.209 0.000 0.979 385 G CA -0.126 44.986 45.100 0.021 0.000 0.641 385 G HN 0.301 nan 8.290 nan 0.000 0.530 386 N N 0.065 118.825 118.700 0.100 0.000 2.454 386 N HA 0.378 5.118 4.740 -0.000 0.000 0.254 386 N C 0.165 175.724 175.510 0.081 0.000 1.228 386 N CA 0.372 53.508 53.050 0.143 0.000 0.900 386 N CB 1.550 40.079 38.487 0.069 0.000 1.089 386 N HN 0.221 nan 8.380 nan 0.000 0.449 387 V N 0.112 120.135 119.914 0.182 0.000 2.555 387 V HA 0.703 4.823 4.120 -0.000 0.000 0.302 387 V C 0.650 176.772 176.094 0.046 0.000 1.038 387 V CA -0.909 61.370 62.300 -0.036 0.000 0.887 387 V CB 1.877 33.490 31.823 -0.349 0.000 0.991 387 V HN 0.748 nan 8.190 nan 0.000 0.434 388 G N 1.583 110.345 108.800 -0.063 0.000 2.470 388 G HA2 0.575 4.535 3.960 -0.000 0.000 0.320 388 G HA3 0.575 4.535 3.960 -0.000 0.000 0.320 388 G C 0.166 174.957 174.900 -0.182 0.000 1.245 388 G CA 0.101 45.156 45.100 -0.075 0.000 0.935 388 G HN 1.074 nan 8.290 nan 0.000 0.476 389 V N -0.387 119.399 119.914 -0.214 0.000 3.332 389 V HA 0.191 4.311 4.120 -0.000 0.000 0.263 389 V C 1.554 177.672 176.094 0.040 0.000 1.562 389 V CA 1.008 63.203 62.300 -0.175 0.000 1.040 389 V CB -0.448 31.158 31.823 -0.361 0.000 0.857 389 V HN 0.815 nan 8.190 nan 0.000 0.428 390 H N 1.779 120.765 119.070 -0.140 0.000 2.462 390 H HA 0.265 4.821 4.556 -0.000 0.000 0.292 390 H C 0.347 175.556 175.328 -0.199 0.000 1.049 390 H CA 0.759 56.701 56.048 -0.177 0.000 1.334 390 H CB 0.284 29.814 29.762 -0.386 0.000 1.404 390 H HN 0.468 nan 8.280 nan 0.000 0.544 391 K N 0.268 120.239 120.400 -0.715 0.000 2.468 391 K HA 0.452 4.772 4.320 -0.000 0.000 0.252 391 K C -1.600 174.934 176.600 -0.110 0.000 0.932 391 K CA -0.721 55.267 56.287 -0.498 0.000 0.794 391 K CB 2.636 34.737 32.500 -0.665 0.000 1.241 391 K HN 0.191 nan 8.250 nan 0.000 0.428 392 F N -0.676 119.123 119.950 -0.252 0.000 2.744 392 F HA 0.338 4.865 4.527 -0.000 0.000 0.311 392 F C -0.243 175.486 175.800 -0.119 0.000 1.144 392 F CA -1.234 56.664 58.000 -0.169 0.000 0.938 392 F CB 0.805 39.726 39.000 -0.132 0.000 1.292 392 F HN 0.544 nan 8.300 nan 0.000 0.444 393 N N 1.281 120.005 118.700 0.040 0.000 2.727 393 N HA -0.109 4.631 4.740 -0.000 0.000 0.249 393 N C 0.888 176.321 175.510 -0.129 0.000 1.048 393 N CA 1.905 54.937 53.050 -0.030 0.000 0.714 393 N CB -1.112 37.384 38.487 0.015 0.000 0.959 393 N HN 2.094 nan 8.380 nan 0.000 0.544 394 G N -1.140 107.581 108.800 -0.132 0.000 2.233 394 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.270 394 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.270 394 G C -0.226 174.559 174.900 -0.192 0.000 1.011 394 G CA 1.054 46.068 45.100 -0.143 0.000 0.762 394 G HN 0.538 nan 8.290 nan 0.000 0.511 395 K N -0.421 119.807 120.400 -0.287 0.000 2.375 395 K HA 0.604 4.924 4.320 -0.000 0.000 0.249 395 K C 0.125 176.505 176.600 -0.365 0.000 0.942 395 K CA -1.085 55.014 56.287 -0.314 0.000 0.806 395 K CB 1.976 34.266 32.500 -0.350 0.000 1.227 395 K HN 0.154 nan 8.250 nan 0.000 0.430 396 I N 2.961 123.359 120.570 -0.287 0.000 2.337 396 I HA 0.095 4.265 4.170 -0.000 0.000 0.291 396 I C 1.186 177.180 176.117 -0.206 0.000 1.046 396 I CA -0.213 60.914 61.300 -0.288 0.000 1.324 396 I CB 0.972 38.774 38.000 -0.330 0.000 1.409 396 I HN 0.529 nan 8.210 nan 0.000 0.494 397 M N 4.968 124.444 119.600 -0.206 0.000 2.657 397 M HA 0.383 4.863 4.480 -0.000 0.000 0.262 397 M C 0.702 176.904 176.300 -0.163 0.000 1.213 397 M CA 0.730 55.947 55.300 -0.138 0.000 1.182 397 M CB 0.300 32.884 32.600 -0.026 0.000 1.303 397 M HN 0.690 nan 8.290 nan 0.000 0.501 398 G N -0.761 108.027 108.800 -0.019 0.000 2.746 398 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.685 398 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.685 398 G C 0.297 175.330 174.900 0.220 0.000 1.350 398 G CA 0.164 45.362 45.100 0.162 0.000 0.837 398 G HN 0.611 nan 8.290 nan 0.000 0.564 399 T N -1.289 113.489 114.554 0.374 0.000 2.937 399 T HA 0.430 4.780 4.350 -0.000 0.000 0.260 399 T C 2.705 177.710 174.700 0.509 0.000 1.051 399 T CA 1.733 64.086 62.100 0.421 0.000 1.141 399 T CB -0.438 68.705 68.868 0.458 0.000 0.879 399 T HN 2.817 nan 8.240 nan 0.000 0.459 400 G N 1.191 110.320 108.800 0.549 0.000 2.596 400 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.295 400 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.295 400 G C 0.815 175.946 174.900 0.386 0.000 1.240 400 G CA 0.113 45.495 45.100 0.470 0.000 0.985 400 G HN 1.212 nan 8.290 nan 0.000 0.555 401 G N -0.591 108.461 108.800 0.419 0.000 3.371 401 G HA2 0.430 4.390 3.960 -0.000 0.000 0.248 401 G HA3 0.430 4.390 3.960 -0.000 0.000 0.248 401 G C 1.123 176.293 174.900 0.450 0.000 1.161 401 G CA 0.972 46.349 45.100 0.461 0.000 0.796 401 G HN 0.710 nan 8.290 nan 0.000 0.539 402 F N 1.043 121.172 119.950 0.300 0.000 2.095 402 F HA -0.126 4.401 4.527 -0.000 0.000 0.298 402 F C 2.256 178.220 175.800 0.273 0.000 1.104 402 F CA 1.561 59.727 58.000 0.277 0.000 1.232 402 F CB 0.121 39.306 39.000 0.308 0.000 0.987 402 F HN 0.148 nan 8.300 nan 0.000 0.475 403 I N 0.226 121.128 120.570 0.552 0.000 2.286 403 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 403 I C 1.874 178.129 176.117 0.231 0.000 1.104 403 I CA 1.339 62.873 61.300 0.391 0.000 1.397 403 I CB -0.695 37.515 38.000 0.351 0.000 1.072 403 I HN 0.167 nan 8.210 nan 0.000 0.417 404 D N 1.025 121.586 120.400 0.269 0.000 2.221 404 D HA -0.163 4.477 4.640 -0.000 0.000 0.204 404 D C 2.124 178.633 176.300 0.349 0.000 0.982 404 D CA 1.506 55.733 54.000 0.379 0.000 0.857 404 D CB 0.146 41.266 40.800 0.534 0.000 0.934 404 D HN 0.432 nan 8.370 nan 0.000 0.475 405 I N 0.576 121.254 120.570 0.181 0.000 2.927 405 I HA -0.141 4.029 4.170 -0.000 0.000 0.268 405 I C 2.251 178.279 176.117 -0.148 0.000 1.153 405 I CA 0.348 61.619 61.300 -0.048 0.000 1.459 405 I CB 0.214 38.125 38.000 -0.149 0.000 1.149 405 I HN -0.106 nan 8.210 nan 0.000 0.443 406 S N 0.992 116.592 115.700 -0.167 0.000 2.562 406 S HA 0.153 4.623 4.470 -0.000 0.000 0.221 406 S C 1.947 176.631 174.600 0.140 0.000 0.975 406 S CA 0.449 58.566 58.200 -0.139 0.000 0.918 406 S CB -0.045 62.996 63.200 -0.265 0.000 0.772 406 S HN 0.316 nan 8.310 nan 0.000 0.531 407 A N 2.348 125.232 122.820 0.106 0.000 1.872 407 A HA 0.063 4.383 4.320 -0.000 0.000 0.214 407 A C 2.334 179.952 177.584 0.058 0.000 1.187 407 A CA 1.707 53.803 52.037 0.098 0.000 0.614 407 A CB -0.825 18.209 19.000 0.057 0.000 0.826 407 A HN 0.728 nan 8.150 nan 0.000 0.442 408 T N -4.387 110.184 114.554 0.028 0.000 3.087 408 T HA 0.261 4.611 4.350 -0.000 0.000 0.283 408 T C 0.493 175.169 174.700 -0.038 0.000 0.956 408 T CA 0.422 62.525 62.100 0.004 0.000 0.894 408 T CB -0.187 68.690 68.868 0.014 0.000 1.160 408 T HN 0.110 nan 8.240 nan 0.000 0.532 409 S N 2.398 118.051 115.700 -0.078 0.000 2.563 409 S HA 0.234 4.704 4.470 -0.000 0.000 0.284 409 S C 1.101 175.630 174.600 -0.120 0.000 1.331 409 S CA -0.501 57.616 58.200 -0.139 0.000 1.047 409 S CB 1.090 64.157 63.200 -0.222 0.000 0.859 409 S HN 0.226 nan 8.310 nan 0.000 0.514 410 K N 1.607 121.934 120.400 -0.121 0.000 2.025 410 K HA 0.044 4.364 4.320 -0.000 0.000 0.207 410 K C 0.157 176.692 176.600 -0.109 0.000 1.049 410 K CA 1.430 57.661 56.287 -0.092 0.000 0.933 410 K CB 0.062 32.515 32.500 -0.078 0.000 0.714 410 K HN 0.457 nan 8.250 nan 0.000 0.438 411 K N 0.341 120.641 120.400 -0.167 0.000 2.323 411 K HA 0.416 4.736 4.320 -0.000 0.000 0.259 411 K C -0.901 175.505 176.600 -0.324 0.000 0.947 411 K CA -0.335 55.828 56.287 -0.206 0.000 0.819 411 K CB 2.073 34.450 32.500 -0.206 0.000 1.109 411 K HN -0.115 nan 8.250 nan 0.000 0.429 412 I N 4.593 124.947 120.570 -0.359 0.000 2.390 412 I HA 0.263 4.433 4.170 -0.000 0.000 0.283 412 I C -0.588 175.106 176.117 -0.704 0.000 1.016 412 I CA -0.704 60.235 61.300 -0.601 0.000 1.151 412 I CB 1.037 38.655 38.000 -0.636 0.000 1.293 412 I HN 0.358 nan 8.210 nan 0.000 0.458 413 I N 6.693 126.848 120.570 -0.692 0.000 2.337 413 I HA 0.298 4.468 4.170 -0.000 0.000 0.285 413 I C -0.317 175.566 176.117 -0.391 0.000 1.041 413 I CA -0.427 60.617 61.300 -0.427 0.000 1.199 413 I CB -0.118 37.729 38.000 -0.256 0.000 1.370 413 I HN 0.280 nan 8.210 nan 0.000 0.470 414 F N 4.762 124.626 119.950 -0.144 0.000 2.427 414 F HA 0.350 4.877 4.527 -0.000 0.000 0.352 414 F C 0.652 176.647 175.800 0.325 0.000 1.100 414 F CA -0.124 57.922 58.000 0.077 0.000 1.191 414 F CB 0.975 39.962 39.000 -0.022 0.000 1.128 414 F HN 0.353 nan 8.300 nan 0.000 0.533 415 C N 2.237 121.855 119.300 0.531 0.000 2.482 415 C HA 0.945 5.405 4.460 -0.000 0.000 0.317 415 C C 0.370 175.384 174.990 0.041 0.000 1.197 415 C CA -0.825 58.382 59.018 0.315 0.000 1.432 415 C CB 0.718 28.550 27.740 0.153 0.000 2.062 415 C HN 1.091 nan 8.230 nan 0.000 0.471 416 G N 1.629 110.412 108.800 -0.027 0.000 2.342 416 G HA2 0.658 4.618 3.960 -0.000 0.000 0.297 416 G HA3 0.658 4.618 3.960 -0.000 0.000 0.297 416 G C -0.843 174.008 174.900 -0.082 0.000 1.313 416 G CA -0.112 44.717 45.100 -0.453 0.000 0.830 416 G HN 0.790 nan 8.290 nan 0.000 0.506 417 T N -1.157 113.335 114.554 -0.105 0.000 2.922 417 T HA 0.507 4.857 4.350 -0.000 0.000 0.285 417 T C 1.420 176.284 174.700 0.274 0.000 1.005 417 T CA -0.387 61.767 62.100 0.090 0.000 1.061 417 T CB 1.883 70.773 68.868 0.037 0.000 1.007 417 T HN 0.678 nan 8.240 nan 0.000 0.502 418 L N 1.409 122.817 121.223 0.309 0.000 2.141 418 L HA 0.129 4.469 4.340 -0.000 0.000 0.209 418 L C 1.228 178.289 176.870 0.319 0.000 1.094 418 L CA 1.221 56.295 54.840 0.390 0.000 0.763 418 L CB -0.206 41.961 42.059 0.179 0.000 0.908 418 L HN 1.088 nan 8.230 nan 0.000 0.437 419 T N -3.473 111.191 114.554 0.183 0.000 2.907 419 T HA 0.812 5.162 4.350 -0.000 0.000 0.290 419 T C -0.532 174.217 174.700 0.082 0.000 1.066 419 T CA -0.345 61.832 62.100 0.128 0.000 1.012 419 T CB 2.103 71.021 68.868 0.082 0.000 1.184 419 T HN 0.100 nan 8.240 nan 0.000 0.522 420 A N -0.648 122.209 122.820 0.061 0.000 2.485 420 A HA 0.966 5.286 4.320 -0.000 0.000 0.292 420 A C 0.444 178.051 177.584 0.039 0.000 1.147 420 A CA -0.529 51.532 52.037 0.039 0.000 0.750 420 A CB 0.775 19.791 19.000 0.027 0.000 1.331 420 A HN 2.553 nan 8.150 nan 0.000 0.419 421 G N 0.330 109.151 108.800 0.036 0.000 2.828 421 G HA2 0.288 4.248 3.960 -0.000 0.000 0.262 421 G HA3 0.288 4.248 3.960 -0.000 0.000 0.262 421 G C 0.479 175.395 174.900 0.027 0.000 1.033 421 G CA 0.956 46.077 45.100 0.034 0.000 1.248 421 G HN 2.755 nan 8.290 nan 0.000 0.551 422 S N -1.863 113.852 115.700 0.024 0.000 3.783 422 S HA -0.211 4.259 4.470 -0.000 0.000 0.360 422 S C 0.344 174.955 174.600 0.020 0.000 1.006 422 S CA 1.257 59.469 58.200 0.020 0.000 1.115 422 S CB -1.724 61.487 63.200 0.018 0.000 0.893 422 S HN 2.247 nan 8.310 nan 0.000 0.475 423 L N 1.446 122.682 121.223 0.022 0.000 2.313 423 L HA 0.621 4.961 4.340 -0.000 0.000 0.282 423 L C 0.081 176.963 176.870 0.020 0.000 1.092 423 L CA 0.411 55.265 54.840 0.023 0.000 0.831 423 L CB 0.552 42.628 42.059 0.029 0.000 1.159 423 L HN 0.365 nan 8.230 nan 0.000 0.442 424 K N 4.034 124.445 120.400 0.019 0.000 2.323 424 K HA 0.610 4.930 4.320 -0.000 0.000 0.259 424 K C -0.541 176.071 176.600 0.020 0.000 0.947 424 K CA -0.595 55.702 56.287 0.017 0.000 0.819 424 K CB 1.697 34.206 32.500 0.014 0.000 1.109 424 K HN 0.763 nan 8.250 nan 0.000 0.429 425 T N -0.784 113.784 114.554 0.023 0.000 2.907 425 T HA 0.516 4.866 4.350 -0.000 0.000 0.290 425 T C -0.655 174.062 174.700 0.029 0.000 1.066 425 T CA -0.942 61.175 62.100 0.029 0.000 1.012 425 T CB 2.155 71.048 68.868 0.041 0.000 1.184 425 T HN 0.296 nan 8.240 nan 0.000 0.522 426 E N 0.411 120.632 120.200 0.035 0.000 2.321 426 E HA 0.474 4.824 4.350 -0.000 0.000 0.278 426 E C -1.394 175.239 176.600 0.055 0.000 0.902 426 E CA -0.523 55.898 56.400 0.036 0.000 0.758 426 E CB 2.570 32.284 29.700 0.024 0.000 1.213 426 E HN 0.683 nan 8.360 nan 0.000 0.426 427 I N 1.915 122.524 120.570 0.065 0.000 2.389 427 I HA 0.705 4.875 4.170 -0.000 0.000 0.288 427 I C -0.302 175.861 176.117 0.076 0.000 0.999 427 I CA -0.325 61.038 61.300 0.104 0.000 1.129 427 I CB 1.646 39.727 38.000 0.136 0.000 1.288 427 I HN 0.533 nan 8.210 nan 0.000 0.444 428 A N 3.804 126.666 122.820 0.070 0.000 2.569 428 A HA 0.502 4.822 4.320 -0.000 0.000 0.292 428 A C -0.854 176.750 177.584 0.033 0.000 1.032 428 A CA -0.672 51.395 52.037 0.050 0.000 0.669 428 A CB 0.938 19.957 19.000 0.032 0.000 1.290 428 A HN 0.697 nan 8.150 nan 0.000 0.422 429 D N 0.050 120.468 120.400 0.030 0.000 2.870 429 D HA -0.146 4.494 4.640 -0.000 0.000 0.228 429 D C 1.037 177.346 176.300 0.015 0.000 1.147 429 D CA 2.987 56.997 54.000 0.017 0.000 0.757 429 D CB -1.493 39.309 40.800 0.002 0.000 1.091 429 D HN 2.425 nan 8.370 nan 0.000 0.429 430 G N -0.301 108.528 108.800 0.049 0.000 2.249 430 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.273 430 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.273 430 G C 0.154 175.021 174.900 -0.054 0.000 1.036 430 G CA 1.067 46.207 45.100 0.067 0.000 0.824 430 G HN 0.553 nan 8.290 nan 0.000 0.504 431 K N -1.346 119.013 120.400 -0.069 0.000 2.480 431 K HA 0.705 5.025 4.320 -0.000 0.000 0.258 431 K C -0.954 175.578 176.600 -0.113 0.000 0.990 431 K CA -1.274 54.871 56.287 -0.236 0.000 0.857 431 K CB 2.238 34.648 32.500 -0.151 0.000 1.384 431 K HN 0.128 nan 8.250 nan 0.000 0.446 432 L N 1.639 122.747 121.223 -0.190 0.000 2.275 432 L HA 0.331 4.671 4.340 -0.000 0.000 0.288 432 L C -1.363 175.498 176.870 -0.015 0.000 1.046 432 L CA 0.032 54.879 54.840 0.013 0.000 0.805 432 L CB 0.573 42.681 42.059 0.082 0.000 1.193 432 L HN 0.523 nan 8.230 nan 0.000 0.426 433 N N 5.548 124.258 118.700 0.017 0.000 2.446 433 N HA 0.465 5.205 4.740 -0.000 0.000 0.265 433 N C -1.048 174.471 175.510 0.015 0.000 0.975 433 N CA -0.323 52.730 53.050 0.005 0.000 0.928 433 N CB 1.455 39.944 38.487 0.005 0.000 1.160 433 N HN 0.495 nan 8.380 nan 0.000 0.495 434 I N 2.516 123.091 120.570 0.008 0.000 2.308 434 I HA 0.025 4.195 4.170 -0.000 0.000 0.293 434 I C 1.383 177.505 176.117 0.008 0.000 1.078 434 I CA -0.350 60.957 61.300 0.012 0.000 1.292 434 I CB 0.671 38.677 38.000 0.010 0.000 1.423 434 I HN 0.510 nan 8.210 nan 0.000 0.493 435 V N 3.434 123.355 119.914 0.011 0.000 2.825 435 V HA 0.094 4.214 4.120 -0.000 0.000 0.246 435 V C 0.627 176.726 176.094 0.008 0.000 1.068 435 V CA 0.792 63.097 62.300 0.008 0.000 1.088 435 V CB 0.056 31.885 31.823 0.009 0.000 0.733 435 V HN 0.840 nan 8.190 nan 0.000 0.468 436 Q N 0.836 120.642 119.800 0.011 0.000 2.295 436 Q HA 0.339 4.679 4.340 -0.000 0.000 0.259 436 Q C -0.840 175.168 176.000 0.014 0.000 0.966 436 Q CA -0.516 55.293 55.803 0.011 0.000 0.763 436 Q CB 1.714 30.458 28.738 0.011 0.000 1.283 436 Q HN 0.560 nan 8.270 nan 0.000 0.445 437 E N 2.031 122.238 120.200 0.013 0.000 2.415 437 E HA 0.267 4.616 4.350 -0.000 0.000 0.262 437 E C -0.114 176.498 176.600 0.021 0.000 1.038 437 E CA 0.618 57.028 56.400 0.017 0.000 0.921 437 E CB 0.756 30.463 29.700 0.012 0.000 0.950 437 E HN 0.676 nan 8.360 nan 0.000 0.438 438 G N 3.230 112.047 108.800 0.028 0.000 2.491 438 G HA2 0.002 3.962 3.960 -0.000 0.000 0.238 438 G HA3 0.002 3.962 3.960 -0.000 0.000 0.238 438 G C 0.373 175.290 174.900 0.029 0.000 1.277 438 G CA -0.362 44.757 45.100 0.031 0.000 0.851 438 G HN 0.660 nan 8.290 nan 0.000 0.573 439 R N -0.007 120.509 120.500 0.028 0.000 2.115 439 R HA 0.007 4.347 4.340 -0.000 0.000 0.226 439 R C 0.366 176.683 176.300 0.029 0.000 1.100 439 R CA 0.523 56.638 56.100 0.025 0.000 0.980 439 R CB 0.029 30.343 30.300 0.023 0.000 0.875 439 R HN 0.319 nan 8.270 nan 0.000 0.445 440 V N 1.906 121.843 119.914 0.038 0.000 2.417 440 V HA 0.194 4.314 4.120 -0.000 0.000 0.291 440 V C -0.218 175.911 176.094 0.058 0.000 1.024 440 V CA -0.903 61.423 62.300 0.045 0.000 0.861 440 V CB 1.798 33.651 31.823 0.050 0.000 0.985 440 V HN 0.072 nan 8.190 nan 0.000 0.436 441 K N 3.484 123.918 120.400 0.056 0.000 2.297 441 K HA 0.326 4.646 4.320 -0.000 0.000 0.286 441 K C 0.413 177.070 176.600 0.094 0.000 1.053 441 K CA -0.252 56.081 56.287 0.077 0.000 0.940 441 K CB 1.338 33.868 32.500 0.051 0.000 1.019 441 K HN 0.556 nan 8.250 nan 0.000 0.475 442 K N 1.597 122.094 120.400 0.162 0.000 2.334 442 K HA 0.108 4.428 4.320 -0.000 0.000 0.195 442 K C -0.142 176.444 176.600 -0.025 0.000 1.045 442 K CA 0.345 56.696 56.287 0.106 0.000 1.004 442 K CB 0.342 32.963 32.500 0.201 0.000 0.837 442 K HN 0.366 nan 8.250 nan 0.000 0.510 443 F N 2.863 122.791 119.950 -0.038 0.000 2.377 443 F HA 0.265 4.792 4.527 -0.000 0.000 0.360 443 F C 0.515 176.300 175.800 -0.025 0.000 1.147 443 F CA -1.025 56.921 58.000 -0.089 0.000 1.170 443 F CB 0.148 38.933 39.000 -0.360 0.000 1.339 443 F HN -0.072 nan 8.300 nan 0.000 0.552 444 I N -0.519 120.170 120.570 0.198 0.000 2.947 444 I HA 0.547 4.717 4.170 -0.000 0.000 0.314 444 I C 1.267 177.553 176.117 0.280 0.000 1.028 444 I CA -1.109 60.292 61.300 0.168 0.000 1.077 444 I CB 1.474 39.513 38.000 0.065 0.000 1.274 444 I HN 0.405 nan 8.210 nan 0.000 0.485 445 R N 0.311 120.917 120.500 0.176 0.000 2.062 445 R HA 0.077 4.417 4.340 -0.000 0.000 0.231 445 R C -0.051 176.241 176.300 -0.014 0.000 1.136 445 R CA 1.334 57.503 56.100 0.115 0.000 0.948 445 R CB 0.289 30.632 30.300 0.072 0.000 0.845 445 R HN 0.690 nan 8.270 nan 0.000 0.430 446 E N 0.496 120.706 120.200 0.016 0.000 2.278 446 E HA 0.154 4.504 4.350 -0.000 0.000 0.272 446 E C -1.502 175.108 176.600 0.017 0.000 0.890 446 E CA -0.777 55.636 56.400 0.022 0.000 0.770 446 E CB 1.993 31.719 29.700 0.043 0.000 1.212 446 E HN 0.009 nan 8.360 nan 0.000 0.415 447 L N 5.292 126.524 121.223 0.014 0.000 2.477 447 L HA 0.083 4.423 4.340 -0.000 0.000 0.272 447 L C -0.994 175.882 176.870 0.011 0.000 1.157 447 L CA -0.710 54.133 54.840 0.005 0.000 0.889 447 L CB 0.015 42.082 42.059 0.013 0.000 1.158 447 L HN 0.378 nan 8.230 nan 0.000 0.473 448 P HA -0.132 nan 4.420 nan 0.000 0.215 448 P C -0.287 177.018 177.300 0.008 0.000 1.153 448 P CA 1.194 64.289 63.100 -0.009 0.000 0.853 448 P CB 0.412 32.092 31.700 -0.034 0.000 0.788 449 E N -0.810 119.397 120.200 0.012 0.000 2.292 449 E HA 0.456 4.806 4.350 -0.000 0.000 0.272 449 E C -0.589 176.128 176.600 0.195 0.000 0.881 449 E CA -0.723 55.740 56.400 0.105 0.000 0.754 449 E CB 2.214 31.973 29.700 0.098 0.000 1.201 449 E HN -0.023 nan 8.360 nan 0.000 0.425 450 I N 2.158 122.876 120.570 0.246 0.000 2.331 450 I HA 0.142 4.312 4.170 -0.000 0.000 0.292 450 I C 0.874 177.199 176.117 0.346 0.000 0.998 450 I CA -0.010 61.429 61.300 0.233 0.000 1.267 450 I CB 1.419 39.502 38.000 0.137 0.000 1.386 450 I HN 0.596 nan 8.210 nan 0.000 0.476 451 T N 4.942 119.702 114.554 0.344 0.000 3.039 451 T HA 0.123 4.473 4.350 -0.000 0.000 0.250 451 T C -0.092 174.966 174.700 0.596 0.000 1.052 451 T CA 0.507 62.846 62.100 0.399 0.000 1.125 451 T CB 0.121 69.081 68.868 0.153 0.000 0.908 451 T HN 0.445 nan 8.240 nan 0.000 0.473 452 F N 1.635 121.816 119.950 0.385 0.000 2.561 452 F HA 0.628 5.155 4.527 -0.000 0.000 0.313 452 F C -0.742 175.177 175.800 0.199 0.000 1.126 452 F CA -1.182 57.044 58.000 0.377 0.000 0.918 452 F CB 1.878 41.205 39.000 0.545 0.000 1.199 452 F HN -0.169 nan 8.300 nan 0.000 0.444 453 S N 4.053 119.372 115.700 -0.635 0.000 2.422 453 S HA 0.408 4.878 4.470 -0.000 0.000 0.298 453 S C 1.074 175.201 174.600 -0.789 0.000 1.118 453 S CA 0.082 57.972 58.200 -0.517 0.000 1.083 453 S CB 0.831 63.858 63.200 -0.288 0.000 0.971 453 S HN 1.067 nan 8.310 nan 0.000 0.478 454 G N 4.580 113.174 108.800 -0.343 0.000 2.422 454 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.218 454 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.218 454 G C 1.356 176.210 174.900 -0.077 0.000 1.146 454 G CA 0.792 45.852 45.100 -0.067 0.000 0.769 454 G HN 0.710 nan 8.290 nan 0.000 0.547 455 K N 0.135 120.473 120.400 -0.103 0.000 2.009 455 K HA -0.094 4.226 4.320 -0.000 0.000 0.210 455 K C 2.445 178.986 176.600 -0.098 0.000 1.049 455 K CA 1.223 57.461 56.287 -0.082 0.000 0.929 455 K CB -0.253 32.187 32.500 -0.100 0.000 0.714 455 K HN 0.187 nan 8.250 nan 0.000 0.440 456 I N 1.655 122.133 120.570 -0.154 0.000 2.208 456 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 456 I C 2.626 178.677 176.117 -0.110 0.000 1.097 456 I CA 1.553 62.769 61.300 -0.140 0.000 1.363 456 I CB -1.657 36.242 38.000 -0.168 0.000 1.051 456 I HN 0.262 nan 8.210 nan 0.000 0.413 457 A N 0.802 123.534 122.820 -0.147 0.000 1.908 457 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 457 A C 2.422 180.026 177.584 0.033 0.000 1.181 457 A CA 1.392 53.428 52.037 -0.003 0.000 0.627 457 A CB -0.803 18.294 19.000 0.162 0.000 0.818 457 A HN 0.420 nan 8.150 nan 0.000 0.445 458 L N -0.953 120.284 121.223 0.022 0.000 2.109 458 L HA -0.162 4.177 4.340 -0.000 0.000 0.207 458 L C 2.590 179.463 176.870 0.005 0.000 1.086 458 L CA 1.330 56.187 54.840 0.028 0.000 0.760 458 L CB -0.591 41.489 42.059 0.035 0.000 0.910 458 L HN 0.467 nan 8.230 nan 0.000 0.437 459 E N 0.364 120.555 120.200 -0.016 0.000 2.058 459 E HA -0.239 4.111 4.350 -0.000 0.000 0.194 459 E C 2.086 178.675 176.600 -0.018 0.000 0.997 459 E CA 1.242 57.628 56.400 -0.024 0.000 0.801 459 E CB -0.071 29.603 29.700 -0.044 0.000 0.746 459 E HN 0.427 nan 8.360 nan 0.000 0.450 460 R N -0.451 120.039 120.500 -0.017 0.000 2.323 460 R HA 0.027 4.367 4.340 -0.000 0.000 0.198 460 R C 1.050 177.350 176.300 0.001 0.000 0.988 460 R CA 0.461 56.556 56.100 -0.009 0.000 1.041 460 R CB 0.172 30.467 30.300 -0.008 0.000 0.926 460 R HN 0.263 nan 8.270 nan 0.000 0.476 461 G N 1.331 110.135 108.800 0.006 0.000 2.176 461 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.252 461 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.252 461 G C 0.040 174.947 174.900 0.012 0.000 1.024 461 G CA -0.063 45.042 45.100 0.009 0.000 0.755 461 G HN 0.186 nan 8.290 nan 0.000 0.507 462 L N -0.163 121.075 121.223 0.025 0.000 2.399 462 L HA 0.521 4.861 4.340 -0.000 0.000 0.266 462 L C 0.326 177.214 176.870 0.030 0.000 1.114 462 L CA -0.915 53.938 54.840 0.022 0.000 0.804 462 L CB 0.868 42.951 42.059 0.041 0.000 1.146 462 L HN 0.080 nan 8.230 nan 0.000 0.451 463 D N 1.705 122.102 120.400 -0.004 0.000 2.347 463 D HA 0.345 4.985 4.640 -0.000 0.000 0.235 463 D C -0.990 175.291 176.300 -0.031 0.000 1.149 463 D CA -0.162 53.834 54.000 -0.007 0.000 0.850 463 D CB 1.267 42.050 40.800 -0.028 0.000 1.061 463 D HN 0.097 nan 8.370 nan 0.000 0.487 464 V N 4.889 124.814 119.914 0.019 0.000 2.378 464 V HA 0.478 4.598 4.120 -0.000 0.000 0.288 464 V C 0.318 176.383 176.094 -0.048 0.000 1.016 464 V CA -0.876 61.404 62.300 -0.033 0.000 0.840 464 V CB 1.364 33.272 31.823 0.141 0.000 0.994 464 V HN 0.390 nan 8.190 nan 0.000 0.431 465 R N 3.183 123.578 120.500 -0.174 0.000 2.732 465 R HA 0.663 5.003 4.340 -0.000 0.000 0.278 465 R C -1.764 174.441 176.300 -0.158 0.000 0.976 465 R CA -0.568 55.512 56.100 -0.033 0.000 0.963 465 R CB 1.471 31.781 30.300 0.016 0.000 1.150 465 R HN 0.625 nan 8.270 nan 0.000 0.478 466 Y N 3.509 124.007 120.300 0.329 0.000 2.332 466 Y HA 0.458 5.008 4.550 -0.000 0.000 0.326 466 Y C -0.386 175.782 175.900 0.448 0.000 0.978 466 Y CA -0.680 57.658 58.100 0.397 0.000 1.205 466 Y CB 1.283 39.944 38.460 0.335 0.000 1.131 466 Y HN 0.281 nan 8.280 nan 0.000 0.462 467 I N 4.228 125.109 120.570 0.519 0.000 2.339 467 I HA 0.412 4.582 4.170 -0.000 0.000 0.290 467 I C 0.189 176.572 176.117 0.442 0.000 0.994 467 I CA -0.379 61.148 61.300 0.378 0.000 1.191 467 I CB 1.540 39.667 38.000 0.212 0.000 1.343 467 I HN 0.662 nan 8.210 nan 0.000 0.458 468 T N 1.006 115.786 114.554 0.376 0.000 2.905 468 T HA 0.270 4.620 4.350 -0.000 0.000 0.283 468 T C 0.931 175.730 174.700 0.165 0.000 1.031 468 T CA -0.651 61.642 62.100 0.321 0.000 1.002 468 T CB 1.664 70.775 68.868 0.405 0.000 1.200 468 T HN 0.616 nan 8.240 nan 0.000 0.560 469 E N 0.870 121.148 120.200 0.131 0.000 2.274 469 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 469 E C 1.568 178.253 176.600 0.142 0.000 0.996 469 E CA 0.916 57.372 56.400 0.094 0.000 0.840 469 E CB -0.154 29.593 29.700 0.077 0.000 0.772 469 E HN 0.874 nan 8.360 nan 0.000 0.491 470 R N 0.158 120.730 120.500 0.120 0.000 2.446 470 R HA 0.584 4.924 4.340 -0.000 0.000 0.254 470 R C 0.274 176.589 176.300 0.025 0.000 0.918 470 R CA 0.345 56.495 56.100 0.085 0.000 1.069 470 R CB 0.731 31.060 30.300 0.048 0.000 1.194 470 R HN 0.091 nan 8.270 nan 0.000 0.534 471 A N 0.552 123.381 122.820 0.015 0.000 2.594 471 A HA 0.569 4.889 4.320 -0.000 0.000 0.296 471 A C -1.570 175.947 177.584 -0.111 0.000 1.061 471 A CA -0.612 51.338 52.037 -0.146 0.000 0.689 471 A CB 2.166 20.986 19.000 -0.300 0.000 1.280 471 A HN -0.008 nan 8.150 nan 0.000 0.406 472 V N 1.603 121.374 119.914 -0.238 0.000 2.588 472 V HA 0.708 4.828 4.120 -0.000 0.000 0.304 472 V C -0.967 174.991 176.094 -0.226 0.000 1.042 472 V CA -0.324 61.943 62.300 -0.055 0.000 0.877 472 V CB 1.322 33.167 31.823 0.037 0.000 0.996 472 V HN 0.745 nan 8.190 nan 0.000 0.425 473 F N 1.021 121.108 119.950 0.228 0.000 2.575 473 F HA 0.769 5.296 4.527 -0.000 0.000 0.330 473 F C 0.483 176.490 175.800 0.345 0.000 1.056 473 F CA -0.689 57.467 58.000 0.260 0.000 0.964 473 F CB 2.397 41.539 39.000 0.238 0.000 1.258 473 F HN 0.300 nan 8.300 nan 0.000 0.484 474 T N 2.301 117.160 114.554 0.508 0.000 2.886 474 T HA 0.404 4.754 4.350 -0.000 0.000 0.292 474 T C -1.324 173.616 174.700 0.400 0.000 1.012 474 T CA -0.523 61.814 62.100 0.396 0.000 0.982 474 T CB 1.729 70.717 68.868 0.200 0.000 1.018 474 T HN 0.411 nan 8.240 nan 0.000 0.451 475 L N 4.406 125.888 121.223 0.431 0.000 2.360 475 L HA 0.466 4.806 4.340 -0.000 0.000 0.276 475 L C -0.122 176.851 176.870 0.173 0.000 1.121 475 L CA 0.526 55.579 54.840 0.354 0.000 0.845 475 L CB -0.176 42.160 42.059 0.461 0.000 1.143 475 L HN 0.446 nan 8.230 nan 0.000 0.452 476 K N 3.454 123.929 120.400 0.124 0.000 2.279 476 K HA 0.346 4.666 4.320 -0.000 0.000 0.238 476 K C 0.476 177.132 176.600 0.094 0.000 1.084 476 K CA -0.842 55.465 56.287 0.033 0.000 0.885 476 K CB 0.794 33.190 32.500 -0.173 0.000 1.319 476 K HN 0.406 nan 8.250 nan 0.000 0.494 477 E N 1.420 121.663 120.200 0.073 0.000 2.204 477 E HA -0.153 4.197 4.350 -0.000 0.000 0.195 477 E C 0.562 177.217 176.600 0.091 0.000 0.990 477 E CA 1.313 57.756 56.400 0.073 0.000 0.821 477 E CB 0.019 29.750 29.700 0.052 0.000 0.750 477 E HN 0.531 nan 8.360 nan 0.000 0.477 478 D N -0.693 119.788 120.400 0.135 0.000 2.427 478 D HA 0.228 4.868 4.640 -0.000 0.000 0.224 478 D C 0.950 177.319 176.300 0.115 0.000 1.157 478 D CA 0.369 54.442 54.000 0.121 0.000 0.828 478 D CB 0.221 41.099 40.800 0.129 0.000 0.974 478 D HN 0.094 nan 8.370 nan 0.000 0.498 479 G N -0.068 108.808 108.800 0.125 0.000 2.500 479 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.209 479 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.209 479 G C -1.202 173.823 174.900 0.208 0.000 1.283 479 G CA -0.736 44.412 45.100 0.079 0.000 0.960 479 G HN 0.214 nan 8.290 nan 0.000 0.528 480 L N 1.736 123.047 121.223 0.146 0.000 2.360 480 L HA 0.373 4.713 4.340 -0.000 0.000 0.276 480 L C 0.917 178.031 176.870 0.407 0.000 1.121 480 L CA 0.157 55.153 54.840 0.261 0.000 0.845 480 L CB 0.645 42.755 42.059 0.086 0.000 1.143 480 L HN 0.529 nan 8.230 nan 0.000 0.452 481 H N 3.981 123.212 119.070 0.268 0.000 2.552 481 H HA 0.206 4.762 4.556 -0.000 0.000 0.311 481 H C -0.465 175.009 175.328 0.245 0.000 1.071 481 H CA -1.156 55.025 56.048 0.220 0.000 1.307 481 H CB 1.730 31.582 29.762 0.150 0.000 1.416 481 H HN 0.353 nan 8.280 nan 0.000 0.464 482 L N 5.936 127.283 121.223 0.205 0.000 2.433 482 L HA 0.042 4.381 4.340 -0.000 0.000 0.275 482 L C 0.866 177.695 176.870 -0.068 0.000 1.128 482 L CA 0.415 55.162 54.840 -0.156 0.000 0.875 482 L CB -0.212 41.702 42.059 -0.242 0.000 1.171 482 L HN 0.661 nan 8.230 nan 0.000 0.463 483 I N 0.149 120.672 120.570 -0.078 0.000 4.187 483 I HA 0.447 4.617 4.170 -0.000 0.000 0.326 483 I C -0.016 176.084 176.117 -0.028 0.000 1.302 483 I CA -0.098 61.204 61.300 0.003 0.000 1.196 483 I CB 0.204 38.246 38.000 0.070 0.000 1.095 483 I HN 0.508 nan 8.210 nan 0.000 0.411 484 E N 1.572 121.716 120.200 -0.093 0.000 2.366 484 E HA 0.613 4.963 4.350 -0.000 0.000 0.278 484 E C -1.536 174.996 176.600 -0.112 0.000 0.923 484 E CA -0.699 55.666 56.400 -0.058 0.000 0.761 484 E CB 3.467 33.167 29.700 -0.001 0.000 1.231 484 E HN 0.205 nan 8.360 nan 0.000 0.443 485 I N 1.191 121.722 120.570 -0.066 0.000 2.619 485 I HA 0.575 4.745 4.170 -0.000 0.000 0.292 485 I C -0.946 175.148 176.117 -0.038 0.000 1.100 485 I CA -0.678 60.577 61.300 -0.076 0.000 1.043 485 I CB 1.405 39.347 38.000 -0.095 0.000 1.239 485 I HN 0.744 nan 8.210 nan 0.000 0.420 486 A N 8.196 131.004 122.820 -0.020 0.000 2.511 486 A HA 0.434 4.754 4.320 -0.000 0.000 0.242 486 A C -2.478 174.955 177.584 -0.251 0.000 1.069 486 A CA -0.859 51.122 52.037 -0.092 0.000 0.763 486 A CB -0.673 18.332 19.000 0.009 0.000 1.001 486 A HN 0.477 nan 8.150 nan 0.000 0.498 487 P HA 0.237 nan 4.420 nan 0.000 0.264 487 P C 1.007 178.107 177.300 -0.335 0.000 1.183 487 P CA 1.810 64.682 63.100 -0.380 0.000 0.763 487 P CB 0.588 31.993 31.700 -0.491 0.000 0.807 488 G N 0.769 109.452 108.800 -0.195 0.000 2.175 488 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.244 488 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.244 488 G C -0.106 174.735 174.900 -0.098 0.000 0.982 488 G CA -0.209 44.809 45.100 -0.136 0.000 0.641 488 G HN 0.564 nan 8.290 nan 0.000 0.527 489 V N 0.634 120.488 119.914 -0.101 0.000 2.628 489 V HA 0.601 4.721 4.120 -0.000 0.000 0.306 489 V C -0.328 175.728 176.094 -0.064 0.000 1.045 489 V CA -0.467 61.791 62.300 -0.070 0.000 0.905 489 V CB 1.955 33.741 31.823 -0.062 0.000 0.997 489 V HN 0.346 nan 8.190 nan 0.000 0.436 490 D N 2.491 122.861 120.400 -0.051 0.000 2.249 490 D HA 0.259 4.899 4.640 -0.000 0.000 0.246 490 D C 0.750 177.020 176.300 -0.050 0.000 1.114 490 D CA -0.458 53.513 54.000 -0.048 0.000 0.854 490 D CB 1.611 42.388 40.800 -0.039 0.000 1.132 490 D HN 0.345 nan 8.370 nan 0.000 0.461 491 L N 3.994 125.185 121.223 -0.054 0.000 1.989 491 L HA -0.169 4.171 4.340 -0.000 0.000 0.211 491 L C 1.954 178.791 176.870 -0.054 0.000 1.071 491 L CA 2.013 56.818 54.840 -0.059 0.000 0.749 491 L CB -0.863 41.162 42.059 -0.057 0.000 0.890 491 L HN 0.636 nan 8.230 nan 0.000 0.431 492 Q N -0.372 119.401 119.800 -0.045 0.000 2.049 492 Q HA -0.168 4.172 4.340 -0.000 0.000 0.198 492 Q C 2.226 178.201 176.000 -0.042 0.000 0.971 492 Q CA 1.973 57.751 55.803 -0.042 0.000 0.833 492 Q CB -0.074 28.644 28.738 -0.034 0.000 0.896 492 Q HN 0.535 nan 8.270 nan 0.000 0.434 493 K N -0.356 120.021 120.400 -0.037 0.000 2.116 493 K HA -0.032 4.288 4.320 -0.000 0.000 0.203 493 K C 1.233 177.813 176.600 -0.033 0.000 1.052 493 K CA 1.258 57.526 56.287 -0.032 0.000 0.952 493 K CB 0.221 32.706 32.500 -0.026 0.000 0.729 493 K HN 0.249 nan 8.250 nan 0.000 0.446 494 D N -0.072 120.306 120.400 -0.036 0.000 2.327 494 D HA 0.081 4.721 4.640 -0.000 0.000 0.205 494 D C 1.709 177.983 176.300 -0.042 0.000 0.989 494 D CA 0.738 54.719 54.000 -0.032 0.000 0.873 494 D CB 0.523 41.306 40.800 -0.029 0.000 0.955 494 D HN 0.183 nan 8.370 nan 0.000 0.515 495 I N -0.287 120.247 120.570 -0.059 0.000 3.523 495 I HA 0.006 4.176 4.170 -0.000 0.000 0.244 495 I C 2.171 178.226 176.117 -0.103 0.000 1.110 495 I CA -0.020 61.232 61.300 -0.080 0.000 1.517 495 I CB 0.041 37.990 38.000 -0.085 0.000 1.505 495 I HN -0.201 nan 8.210 nan 0.000 0.460 496 L N 1.113 122.282 121.223 -0.090 0.000 2.046 496 L HA -0.199 4.140 4.340 -0.000 0.000 0.208 496 L C 1.779 178.589 176.870 -0.099 0.000 1.077 496 L CA 1.331 56.111 54.840 -0.100 0.000 0.747 496 L CB -0.621 41.395 42.059 -0.071 0.000 0.896 496 L HN 0.294 nan 8.230 nan 0.000 0.432 497 D N -0.226 120.131 120.400 -0.072 0.000 2.348 497 D HA -0.088 4.552 4.640 -0.000 0.000 0.216 497 D C 1.685 177.949 176.300 -0.059 0.000 0.970 497 D CA 0.806 54.772 54.000 -0.057 0.000 0.889 497 D CB 0.060 40.837 40.800 -0.039 0.000 0.912 497 D HN 0.158 nan 8.370 nan 0.000 0.524 498 K N -0.327 120.028 120.400 -0.074 0.000 2.358 498 K HA 0.246 4.566 4.320 -0.000 0.000 0.197 498 K C 0.528 177.074 176.600 -0.090 0.000 1.025 498 K CA -0.026 56.226 56.287 -0.059 0.000 1.104 498 K CB 0.630 33.107 32.500 -0.038 0.000 0.855 498 K HN 0.219 nan 8.250 nan 0.000 0.531 499 M N 0.193 119.692 119.600 -0.169 0.000 2.528 499 M HA 0.240 4.720 4.480 -0.000 0.000 0.321 499 M C -0.122 176.035 176.300 -0.238 0.000 1.153 499 M CA -0.529 54.596 55.300 -0.290 0.000 0.951 499 M CB 1.876 34.126 32.600 -0.584 0.000 1.705 499 M HN -0.233 nan 8.290 nan 0.000 0.451 500 D N 1.603 121.888 120.400 -0.193 0.000 2.328 500 D HA 0.195 4.835 4.640 -0.000 0.000 0.221 500 D C -0.714 175.616 176.300 0.051 0.000 1.072 500 D CA 0.680 54.657 54.000 -0.038 0.000 0.850 500 D CB 0.002 40.833 40.800 0.052 0.000 0.922 500 D HN 0.388 nan 8.370 nan 0.000 0.516 501 F N -2.116 117.811 119.950 -0.037 0.000 2.643 501 F HA 0.550 5.077 4.527 -0.000 0.000 0.314 501 F C -0.439 175.329 175.800 -0.053 0.000 1.096 501 F CA -1.265 56.700 58.000 -0.058 0.000 0.953 501 F CB 0.772 39.715 39.000 -0.095 0.000 1.345 501 F HN -0.481 nan 8.300 nan 0.000 0.468 502 T N 3.423 118.083 114.554 0.177 0.000 2.744 502 T HA 0.465 4.815 4.350 -0.000 0.000 0.291 502 T C -2.463 172.349 174.700 0.187 0.000 0.957 502 T CA -0.934 61.213 62.100 0.077 0.000 1.002 502 T CB 0.890 69.784 68.868 0.044 0.000 0.919 502 T HN 0.463 nan 8.240 nan 0.000 0.468 503 P HA 0.332 nan 4.420 nan 0.000 0.279 503 P C -0.512 176.823 177.300 0.058 0.000 1.252 503 P CA -0.551 62.661 63.100 0.187 0.000 0.811 503 P CB 0.725 32.586 31.700 0.268 0.000 1.035 504 V N 2.878 122.773 119.914 -0.030 0.000 2.572 504 V HA 0.013 4.133 4.120 -0.000 0.000 0.291 504 V C 0.840 176.848 176.094 -0.144 0.000 1.039 504 V CA -0.093 62.083 62.300 -0.207 0.000 1.055 504 V CB -0.100 31.324 31.823 -0.665 0.000 0.969 504 V HN 0.331 nan 8.190 nan 0.000 0.482 505 I N 4.249 124.760 120.570 -0.098 0.000 2.322 505 I HA 0.151 4.321 4.170 -0.000 0.000 0.292 505 I C 0.833 176.924 176.117 -0.042 0.000 1.060 505 I CA 0.468 61.736 61.300 -0.054 0.000 1.309 505 I CB 0.743 38.719 38.000 -0.040 0.000 1.415 505 I HN 0.683 nan 8.210 nan 0.000 0.492 506 S N 9.293 124.998 115.700 0.009 0.000 2.552 506 S HA 0.120 4.590 4.470 -0.000 0.000 0.289 506 S C -0.886 173.737 174.600 0.038 0.000 1.304 506 S CA -0.743 57.500 58.200 0.072 0.000 1.063 506 S CB 0.590 63.858 63.200 0.114 0.000 0.848 506 S HN 0.491 nan 8.310 nan 0.000 0.499 507 P HA -0.015 nan 4.420 nan 0.000 0.223 507 P C 0.353 177.670 177.300 0.030 0.000 1.151 507 P CA 0.849 63.967 63.100 0.030 0.000 0.787 507 P CB 0.139 31.861 31.700 0.035 0.000 0.788 508 E N -0.254 119.971 120.200 0.042 0.000 2.419 508 E HA 0.090 4.440 4.350 -0.000 0.000 0.190 508 E C 0.574 177.193 176.600 0.031 0.000 1.040 508 E CA -0.732 55.690 56.400 0.037 0.000 0.900 508 E CB -0.498 29.230 29.700 0.046 0.000 1.054 508 E HN 0.201 nan 8.360 nan 0.000 0.462 509 L N 2.632 123.867 121.223 0.021 0.000 2.640 509 L HA -0.092 4.248 4.340 -0.000 0.000 0.280 509 L C 0.219 177.091 176.870 0.002 0.000 1.229 509 L CA 0.836 55.678 54.840 0.003 0.000 0.919 509 L CB 0.093 42.141 42.059 -0.017 0.000 1.168 509 L HN 0.002 nan 8.230 nan 0.000 0.496 510 K N 4.184 124.587 120.400 0.004 0.000 2.480 510 K HA 0.604 4.924 4.320 -0.000 0.000 0.258 510 K C -1.188 175.417 176.600 0.007 0.000 0.990 510 K CA -1.062 55.232 56.287 0.011 0.000 0.857 510 K CB 0.971 33.489 32.500 0.031 0.000 1.384 510 K HN 0.474 nan 8.250 nan 0.000 0.446 511 L N 2.379 123.608 121.223 0.009 0.000 2.453 511 L HA 0.158 4.498 4.340 -0.000 0.000 0.272 511 L C 0.440 177.348 176.870 0.063 0.000 1.182 511 L CA -0.267 54.577 54.840 0.007 0.000 0.858 511 L CB 0.333 42.383 42.059 -0.014 0.000 1.120 511 L HN 0.621 nan 8.230 nan 0.000 0.474 512 M N 2.633 122.290 119.600 0.096 0.000 2.246 512 M HA -0.064 4.416 4.480 -0.000 0.000 0.327 512 M C 0.569 177.035 176.300 0.277 0.000 1.090 512 M CA 0.289 55.710 55.300 0.202 0.000 1.087 512 M CB -0.000 32.795 32.600 0.325 0.000 1.587 512 M HN 0.478 nan 8.290 nan 0.000 0.444 513 D N 2.759 123.316 120.400 0.262 0.000 2.531 513 D HA -0.108 4.532 4.640 -0.000 0.000 0.239 513 D C 0.836 177.332 176.300 0.327 0.000 1.144 513 D CA 0.472 54.640 54.000 0.280 0.000 0.869 513 D CB 0.677 41.717 40.800 0.400 0.000 1.160 513 D HN 0.703 nan 8.370 nan 0.000 0.484 514 E N 3.863 124.216 120.200 0.256 0.000 2.097 514 E HA -0.252 4.098 4.350 -0.000 0.000 0.196 514 E C 1.620 178.384 176.600 0.273 0.000 1.000 514 E CA 0.995 57.547 56.400 0.253 0.000 0.804 514 E CB 0.230 30.011 29.700 0.134 0.000 0.740 514 E HN 0.485 nan 8.360 nan 0.000 0.454 515 R N 0.106 120.731 120.500 0.208 0.000 2.159 515 R HA -0.120 4.220 4.340 -0.000 0.000 0.237 515 R C 2.564 178.917 176.300 0.088 0.000 1.131 515 R CA 1.029 57.224 56.100 0.159 0.000 0.982 515 R CB -0.350 30.059 30.300 0.181 0.000 0.868 515 R HN 0.273 nan 8.270 nan 0.000 0.453 516 L N -0.385 120.845 121.223 0.013 0.000 2.129 516 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 516 L C 1.236 177.858 176.870 -0.413 0.000 1.087 516 L CA 1.361 56.003 54.840 -0.330 0.000 0.757 516 L CB -0.221 41.437 42.059 -0.668 0.000 0.896 516 L HN 0.153 nan 8.230 nan 0.000 0.434 517 F N -0.804 119.136 119.950 -0.018 0.000 2.639 517 F HA 0.318 4.845 4.527 -0.000 0.000 0.300 517 F C 0.575 176.373 175.800 -0.003 0.000 1.109 517 F CA -0.236 57.755 58.000 -0.016 0.000 1.335 517 F CB 0.116 39.108 39.000 -0.014 0.000 1.014 517 F HN -0.140 nan 8.300 nan 0.000 0.537 518 I N 0.286 120.930 120.570 0.123 0.000 2.378 518 I HA 0.152 4.322 4.170 -0.000 0.000 0.291 518 I C -0.189 175.955 176.117 0.045 0.000 0.992 518 I CA -0.716 60.636 61.300 0.086 0.000 1.154 518 I CB 1.364 39.416 38.000 0.087 0.000 1.315 518 I HN -0.206 nan 8.210 nan 0.000 0.448 519 D N 6.299 126.721 120.400 0.038 0.000 2.801 519 D HA 0.477 5.117 4.640 -0.000 0.000 0.232 519 D C -0.393 175.920 176.300 0.022 0.000 1.128 519 D CA 0.295 54.307 54.000 0.021 0.000 1.003 519 D CB 0.038 40.849 40.800 0.019 0.000 1.110 519 D HN 0.631 nan 8.370 nan 0.000 0.477 520 A N 0.295 123.130 122.820 0.025 0.000 2.599 520 A HA 0.740 5.060 4.320 -0.000 0.000 0.290 520 A C -0.831 176.774 177.584 0.035 0.000 1.101 520 A CA -0.455 51.599 52.037 0.029 0.000 0.674 520 A CB 0.695 19.716 19.000 0.034 0.000 1.277 520 A HN 0.286 nan 8.150 nan 0.000 0.419 521 A N 0.591 123.435 122.820 0.040 0.000 2.524 521 A HA 0.449 4.769 4.320 -0.000 0.000 0.250 521 A C 0.975 178.606 177.584 0.078 0.000 1.078 521 A CA 0.232 52.303 52.037 0.056 0.000 0.761 521 A CB -0.549 18.483 19.000 0.055 0.000 1.012 521 A HN 0.855 nan 8.150 nan 0.000 0.500 522 M N 2.472 122.137 119.600 0.107 0.000 2.460 522 M HA 0.011 4.491 4.480 -0.000 0.000 0.263 522 M C 1.639 178.030 176.300 0.152 0.000 1.071 522 M CA 1.334 56.723 55.300 0.148 0.000 1.096 522 M CB -0.192 32.536 32.600 0.213 0.000 1.408 522 M HN 1.261 nan 8.290 nan 0.000 0.463 523 G N 1.546 110.427 108.800 0.135 0.000 2.221 523 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.265 523 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.265 523 G C -0.095 174.871 174.900 0.110 0.000 1.041 523 G CA -0.222 44.937 45.100 0.098 0.000 0.807 523 G HN 0.512 nan 8.290 nan 0.000 0.502 524 F N 1.322 121.287 119.950 0.025 0.000 2.543 524 F HA 0.473 5.000 4.527 -0.000 0.000 0.375 524 F C 0.682 176.468 175.800 -0.024 0.000 1.075 524 F CA -0.342 57.653 58.000 -0.008 0.000 1.225 524 F CB 0.920 39.956 39.000 0.060 0.000 1.099 524 F HN 0.474 nan 8.300 nan 0.000 0.561 525 V N 6.237 125.654 119.914 -0.829 0.000 2.370 525 V HA 0.414 4.534 4.120 -0.000 0.000 0.283 525 V C -0.407 174.937 176.094 -1.251 0.000 1.023 525 V CA -1.219 60.605 62.300 -0.793 0.000 0.857 525 V CB 1.007 32.601 31.823 -0.381 0.000 0.985 525 V HN 0.804 nan 8.190 nan 0.000 0.443 526 L N 7.962 128.633 121.223 -0.921 0.000 2.462 526 L HA 0.438 4.778 4.340 -0.000 0.000 0.272 526 L C -1.976 174.729 176.870 -0.274 0.000 1.166 526 L CA -0.842 53.702 54.840 -0.494 0.000 0.880 526 L CB 0.120 42.126 42.059 -0.088 0.000 1.142 526 L HN 0.560 nan 8.230 nan 0.000 0.473 527 P HA 0.034 nan 4.420 nan 0.000 0.269 527 P C -0.551 176.714 177.300 -0.058 0.000 1.217 527 P CA -0.213 62.822 63.100 -0.108 0.000 0.783 527 P CB 0.361 32.026 31.700 -0.059 0.000 0.898 528 E N 0.387 120.559 120.200 -0.046 0.000 2.410 528 E HA 0.228 4.578 4.350 -0.000 0.000 0.255 528 E C 0.545 177.143 176.600 -0.005 0.000 1.194 528 E CA -0.171 56.216 56.400 -0.022 0.000 0.955 528 E CB 0.256 29.942 29.700 -0.022 0.000 0.988 528 E HN 0.483 nan 8.360 nan 0.000 0.461 529 A N 0.000 122.825 122.820 0.008 0.000 2.254 529 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 529 A CA 0.000 52.048 52.037 0.018 0.000 0.836 529 A CB 0.000 19.014 19.000 0.023 0.000 0.831 529 A HN 0.000 nan 8.150 nan 0.000 0.486