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 1tjv_1_A DATA FIRST_RESID 19 DATA SEQUENCE TDPIMEKLNS SIAYDQRLSE VDIQGSMAYA KALEKAGILT KTELEKILSG DATA SEQUENCE LEKISEEWSK GVFVVKQSDE DIHTANERRL KELIGDIAGK LHTGRSRNDQ DATA SEQUENCE VVTDLKLFMK NSLSIISTHL LQLIKTLVER AAIEIDVILP GYDHLQKAQP DATA SEQUENCE IRWSQFLLSH AVALTRDSER LGEVKKRINV LPLGSGALAG NPLDIDREML DATA SEQUENCE RSELEFASIS LNSMDAISER DFVVEFLSFA TLLMIHLSKM AEDLIIYSTS DATA SEQUENCE EFGFLTLSDA FSTGSSLMPQ KKNPDSLELI RSKAGRVFGR LASILMVLKG DATA SEQUENCE LPSTYNKDLQ EDKEAVFDVV DTLTAVLQVA TGVISTLQIS KENMEKALTP DATA SEQUENCE EMLATDLALY LVRKGVPFRQ AHTASGKAVH LAETKGITIN KLSLEDLKSI DATA SEQUENCE SPQFSSDVSQ VFNFVNSVEQ YTALAGTAKS SVTTQIEQLR ELMKKQKEQ 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 19 T HA 0.000 nan 4.350 nan 0.000 0.228 19 T C 0.000 174.708 174.700 0.013 0.000 1.109 19 T CA 0.000 62.108 62.100 0.014 0.000 1.349 19 T CB 0.000 68.877 68.868 0.016 0.000 0.612 20 D N 4.083 124.490 120.400 0.013 0.000 2.487 20 D HA 0.142 4.783 4.640 0.000 0.000 0.243 20 D C -0.581 175.728 176.300 0.014 0.000 1.154 20 D CA -1.293 52.714 54.000 0.013 0.000 0.876 20 D CB 1.040 41.847 40.800 0.012 0.000 1.161 20 D HN 0.103 nan 8.370 nan 0.000 0.478 21 P HA -0.168 nan 4.420 nan 0.000 0.218 21 P C 1.460 178.770 177.300 0.017 0.000 1.148 21 P CA 1.136 64.245 63.100 0.015 0.000 0.822 21 P CB 0.173 31.881 31.700 0.013 0.000 0.784 22 I N -1.001 119.579 120.570 0.016 0.000 2.286 22 I HA -0.146 4.024 4.170 0.000 0.000 0.245 22 I C 2.861 178.990 176.117 0.020 0.000 1.104 22 I CA 1.157 62.467 61.300 0.017 0.000 1.397 22 I CB -0.508 37.501 38.000 0.014 0.000 1.072 22 I HN -0.116 nan 8.210 nan 0.000 0.417 23 M N 1.133 120.744 119.600 0.019 0.000 2.229 23 M HA -0.206 4.274 4.480 0.000 0.000 0.264 23 M C 2.525 178.840 176.300 0.026 0.000 1.063 23 M CA 2.205 57.518 55.300 0.022 0.000 1.114 23 M CB -0.223 32.388 32.600 0.019 0.000 1.387 23 M HN 0.323 nan 8.290 nan 0.000 0.420 24 E N 0.921 121.135 120.200 0.024 0.000 2.031 24 E HA -0.225 4.125 4.350 0.000 0.000 0.193 24 E C 2.034 178.650 176.600 0.028 0.000 0.994 24 E CA 2.455 58.869 56.400 0.024 0.000 0.800 24 E CB -1.380 28.332 29.700 0.020 0.000 0.752 24 E HN 0.743 nan 8.360 nan 0.000 0.447 25 K N 0.553 120.970 120.400 0.029 0.000 2.063 25 K HA 0.103 4.423 4.320 0.000 0.000 0.208 25 K C 2.410 179.040 176.600 0.048 0.000 1.048 25 K CA 1.445 57.753 56.287 0.035 0.000 0.928 25 K CB -0.971 31.550 32.500 0.034 0.000 0.713 25 K HN 0.443 nan 8.250 nan 0.000 0.442 26 L N 0.697 121.947 121.223 0.046 0.000 2.131 26 L HA -0.151 4.189 4.340 0.000 0.000 0.210 26 L C 2.155 179.065 176.870 0.068 0.000 1.092 26 L CA 0.944 55.818 54.840 0.056 0.000 0.759 26 L CB -0.245 41.837 42.059 0.039 0.000 0.903 26 L HN 0.447 nan 8.230 nan 0.000 0.435 27 N N -0.496 118.236 118.700 0.054 0.000 2.457 27 N HA -0.064 4.676 4.740 0.000 0.000 0.180 27 N C 0.831 176.369 175.510 0.047 0.000 1.050 27 N CA 0.251 53.335 53.050 0.056 0.000 0.906 27 N CB 0.147 38.662 38.487 0.046 0.000 0.968 27 N HN 0.066 nan 8.380 nan 0.000 0.445 28 S N 0.182 115.902 115.700 0.034 0.000 2.488 28 S HA 0.143 4.613 4.470 0.000 0.000 0.278 28 S C 1.212 175.770 174.600 -0.070 0.000 1.259 28 S CA -0.321 57.874 58.200 -0.009 0.000 1.061 28 S CB 0.511 63.710 63.200 -0.002 0.000 0.910 28 S HN 0.327 nan 8.310 nan 0.000 0.491 29 S N 4.698 120.272 115.700 -0.210 0.000 2.559 29 S HA 0.055 4.525 4.470 0.000 0.000 0.226 29 S C 1.502 175.662 174.600 -0.734 0.000 1.030 29 S CA -0.057 57.756 58.200 -0.645 0.000 0.956 29 S CB -0.443 62.519 63.200 -0.397 0.000 0.900 29 S HN 0.683 nan 8.310 nan 0.000 0.510 30 I N 3.360 123.725 120.570 -0.341 0.000 2.381 30 I HA -0.111 4.059 4.170 0.000 0.000 0.255 30 I C 2.361 178.350 176.117 -0.214 0.000 1.140 30 I CA 1.142 62.303 61.300 -0.231 0.000 1.404 30 I CB -0.744 37.202 38.000 -0.090 0.000 1.075 30 I HN 0.409 nan 8.210 nan 0.000 0.433 31 A N -0.227 122.461 122.820 -0.220 0.000 2.019 31 A HA -0.196 4.124 4.320 0.000 0.000 0.219 31 A C 1.921 179.507 177.584 0.003 0.000 1.164 31 A CA 2.096 54.095 52.037 -0.063 0.000 0.644 31 A CB -0.887 18.139 19.000 0.042 0.000 0.805 31 A HN 0.759 nan 8.150 nan 0.000 0.449 32 Y N -2.200 118.120 120.300 0.033 0.000 2.448 32 Y HA 0.270 4.820 4.550 0.000 0.000 0.257 32 Y C 0.829 176.773 175.900 0.074 0.000 1.089 32 Y CA -0.326 57.809 58.100 0.058 0.000 1.245 32 Y CB -0.263 38.270 38.460 0.121 0.000 1.282 32 Y HN 0.259 nan 8.280 nan 0.000 0.529 33 D N 0.644 120.954 120.400 -0.150 0.000 2.328 33 D HA -0.062 4.578 4.640 0.000 0.000 0.226 33 D C 1.104 177.258 176.300 -0.243 0.000 1.066 33 D CA 0.265 54.246 54.000 -0.032 0.000 0.861 33 D CB -0.141 40.563 40.800 -0.160 0.000 0.912 33 D HN 0.525 nan 8.370 nan 0.000 0.521 34 Q N 0.168 119.796 119.800 -0.287 0.000 2.364 34 Q HA -0.113 4.227 4.340 0.000 0.000 0.209 34 Q C 1.992 177.657 176.000 -0.559 0.000 0.977 34 Q CA 1.025 56.561 55.803 -0.445 0.000 0.885 34 Q CB -0.149 28.432 28.738 -0.262 0.000 0.941 34 Q HN 0.514 nan 8.270 nan 0.000 0.464 35 R N 0.203 120.410 120.500 -0.490 0.000 2.316 35 R HA -0.046 4.294 4.340 0.000 0.000 0.202 35 R C 1.253 177.300 176.300 -0.423 0.000 1.029 35 R CA 0.696 56.508 56.100 -0.480 0.000 1.018 35 R CB -0.177 29.758 30.300 -0.608 0.000 0.888 35 R HN 0.216 nan 8.270 nan 0.000 0.471 36 L N 2.025 122.993 121.223 -0.424 0.000 2.591 36 L HA 0.068 4.408 4.340 0.000 0.000 0.228 36 L C 2.083 178.735 176.870 -0.362 0.000 1.133 36 L CA 0.298 54.977 54.840 -0.270 0.000 0.880 36 L CB -0.099 41.861 42.059 -0.165 0.000 1.033 36 L HN 0.331 nan 8.230 nan 0.000 0.450 37 S N 0.401 115.713 115.700 -0.648 0.000 2.369 37 S HA -0.303 4.167 4.470 0.000 0.000 0.225 37 S C 1.850 176.132 174.600 -0.529 0.000 1.043 37 S CA 1.726 59.349 58.200 -0.962 0.000 1.074 37 S CB -0.295 61.657 63.200 -2.079 0.000 0.962 37 S HN 0.454 nan 8.310 nan 0.000 0.433 38 E N 1.602 121.595 120.200 -0.344 0.000 2.077 38 E HA -0.108 4.242 4.350 0.000 0.000 0.193 38 E C 2.126 178.689 176.600 -0.063 0.000 0.989 38 E CA 1.655 57.975 56.400 -0.133 0.000 0.800 38 E CB -0.627 29.034 29.700 -0.065 0.000 0.746 38 E HN 0.616 nan 8.360 nan 0.000 0.452 39 V N -0.839 119.049 119.914 -0.043 0.000 2.515 39 V HA -0.151 3.969 4.120 0.000 0.000 0.250 39 V C 2.063 178.171 176.094 0.024 0.000 1.058 39 V CA 2.138 64.449 62.300 0.017 0.000 1.064 39 V CB -0.823 31.047 31.823 0.077 0.000 0.675 39 V HN 0.159 nan 8.190 nan 0.000 0.461 40 D N 0.768 121.158 120.400 -0.017 0.000 2.117 40 D HA -0.152 4.488 4.640 0.000 0.000 0.197 40 D C 1.899 178.223 176.300 0.039 0.000 0.987 40 D CA 2.098 56.112 54.000 0.022 0.000 0.829 40 D CB -0.273 40.504 40.800 -0.038 0.000 0.961 40 D HN 0.535 nan 8.370 nan 0.000 0.460 41 I N 0.111 120.690 120.570 0.015 0.000 2.179 41 I HA -0.240 3.930 4.170 0.000 0.000 0.242 41 I C 2.394 178.551 176.117 0.066 0.000 1.088 41 I CA 0.744 62.078 61.300 0.057 0.000 1.357 41 I CB -0.283 37.758 38.000 0.070 0.000 1.051 41 I HN 0.095 nan 8.210 nan 0.000 0.409 42 Q N 0.638 120.469 119.800 0.051 0.000 2.096 42 Q HA -0.160 4.180 4.340 0.000 0.000 0.204 42 Q C 2.347 178.396 176.000 0.081 0.000 0.982 42 Q CA 1.893 57.730 55.803 0.057 0.000 0.850 42 Q CB -0.918 27.842 28.738 0.037 0.000 0.901 42 Q HN 0.616 nan 8.270 nan 0.000 0.422 43 G N -0.001 108.853 108.800 0.089 0.000 2.418 43 G HA2 -0.229 3.731 3.960 0.000 0.000 0.217 43 G HA3 -0.229 3.731 3.960 0.000 0.000 0.217 43 G C 1.684 176.661 174.900 0.127 0.000 1.158 43 G CA 1.052 46.217 45.100 0.109 0.000 0.771 43 G HN 0.339 nan 8.290 nan 0.000 0.545 44 S N 0.208 115.978 115.700 0.116 0.000 2.383 44 S HA -0.009 4.461 4.470 0.000 0.000 0.227 44 S C 2.398 177.092 174.600 0.156 0.000 1.026 44 S CA 1.099 59.388 58.200 0.149 0.000 0.981 44 S CB -0.211 63.062 63.200 0.122 0.000 0.818 44 S HN 0.358 nan 8.310 nan 0.000 0.472 45 M N 1.047 120.717 119.600 0.116 0.000 2.117 45 M HA -0.106 4.374 4.480 0.000 0.000 0.262 45 M C 2.494 178.850 176.300 0.093 0.000 1.065 45 M CA 1.534 56.890 55.300 0.093 0.000 1.114 45 M CB -0.533 32.110 32.600 0.072 0.000 1.361 45 M HN 0.391 nan 8.290 nan 0.000 0.408 46 A N -0.643 122.242 122.820 0.109 0.000 1.902 46 A HA -0.212 4.108 4.320 0.000 0.000 0.217 46 A C 2.001 179.656 177.584 0.118 0.000 1.181 46 A CA 1.413 53.512 52.037 0.104 0.000 0.623 46 A CB -1.071 18.001 19.000 0.121 0.000 0.818 46 A HN 0.537 nan 8.150 nan 0.000 0.443 47 Y N 0.598 120.919 120.300 0.036 0.000 2.181 47 Y HA -0.090 4.460 4.550 0.000 0.000 0.288 47 Y C 2.708 178.624 175.900 0.026 0.000 1.146 47 Y CA 0.965 59.081 58.100 0.027 0.000 1.164 47 Y CB -0.543 37.936 38.460 0.033 0.000 0.982 47 Y HN 0.323 nan 8.280 nan 0.000 0.515 48 A N 0.296 123.162 122.820 0.078 0.000 1.883 48 A HA -0.239 4.081 4.320 0.000 0.000 0.217 48 A C 2.246 179.797 177.584 -0.056 0.000 1.186 48 A CA 2.108 54.149 52.037 0.008 0.000 0.624 48 A CB -0.597 18.440 19.000 0.061 0.000 0.822 48 A HN 0.496 nan 8.150 nan 0.000 0.444 49 K N -0.413 119.970 120.400 -0.027 0.000 2.103 49 K HA -0.114 4.206 4.320 0.000 0.000 0.207 49 K C 2.246 178.800 176.600 -0.077 0.000 1.048 49 K CA 1.224 57.490 56.287 -0.035 0.000 0.930 49 K CB -0.322 32.174 32.500 -0.007 0.000 0.716 49 K HN 0.469 nan 8.250 nan 0.000 0.444 50 A N 1.265 124.008 122.820 -0.129 0.000 1.929 50 A HA -0.059 4.261 4.320 0.000 0.000 0.216 50 A C 2.090 179.538 177.584 -0.227 0.000 1.176 50 A CA 0.906 52.840 52.037 -0.171 0.000 0.628 50 A CB -0.456 18.423 19.000 -0.201 0.000 0.816 50 A HN 0.136 nan 8.150 nan 0.000 0.444 51 L N -0.570 120.462 121.223 -0.318 0.000 2.083 51 L HA -0.178 4.162 4.340 0.000 0.000 0.209 51 L C 2.751 179.541 176.870 -0.133 0.000 1.083 51 L CA 1.590 56.272 54.840 -0.264 0.000 0.752 51 L CB -0.405 41.501 42.059 -0.255 0.000 0.899 51 L HN 0.486 nan 8.230 nan 0.000 0.433 52 E N 0.936 121.076 120.200 -0.099 0.000 2.072 52 E HA -0.269 4.081 4.350 0.000 0.000 0.191 52 E C 2.104 178.671 176.600 -0.054 0.000 0.985 52 E CA 1.344 57.710 56.400 -0.058 0.000 0.801 52 E CB 0.104 29.781 29.700 -0.039 0.000 0.750 52 E HN 0.352 nan 8.360 nan 0.000 0.452 53 K N -0.015 120.347 120.400 -0.063 0.000 2.147 53 K HA -0.060 4.260 4.320 0.000 0.000 0.205 53 K C 1.808 178.376 176.600 -0.052 0.000 1.049 53 K CA 1.161 57.418 56.287 -0.050 0.000 0.936 53 K CB -0.131 32.339 32.500 -0.050 0.000 0.722 53 K HN 0.081 nan 8.250 nan 0.000 0.446 54 A N -0.083 122.695 122.820 -0.071 0.000 2.235 54 A HA 0.167 4.487 4.320 0.000 0.000 0.208 54 A C 1.351 178.906 177.584 -0.047 0.000 1.172 54 A CA 0.888 52.888 52.037 -0.063 0.000 0.786 54 A CB -0.456 18.493 19.000 -0.085 0.000 0.804 54 A HN 0.557 nan 8.150 nan 0.000 0.479 55 G N -0.844 107.930 108.800 -0.044 0.000 2.159 55 G HA2 -0.238 3.722 3.960 0.000 0.000 0.256 55 G HA3 -0.238 3.722 3.960 0.000 0.000 0.256 55 G C 0.708 175.591 174.900 -0.028 0.000 0.977 55 G CA 0.393 45.474 45.100 -0.031 0.000 0.652 55 G HN 0.340 nan 8.290 nan 0.000 0.531 56 I N -0.207 120.339 120.570 -0.039 0.000 2.716 56 I HA 0.256 4.426 4.170 0.000 0.000 0.259 56 I C 1.435 177.541 176.117 -0.019 0.000 1.172 56 I CA 1.116 62.398 61.300 -0.029 0.000 1.478 56 I CB -0.437 37.537 38.000 -0.042 0.000 1.104 56 I HN 0.201 nan 8.210 nan 0.000 0.439 57 L N 0.233 121.441 121.223 -0.026 0.000 2.354 57 L HA 0.317 4.657 4.340 0.000 0.000 0.269 57 L C 0.536 177.399 176.870 -0.013 0.000 1.005 57 L CA -0.563 54.269 54.840 -0.013 0.000 0.819 57 L CB 2.064 44.114 42.059 -0.014 0.000 1.311 57 L HN 0.054 nan 8.230 nan 0.000 0.423 58 T N -2.128 112.423 114.554 -0.005 0.000 2.824 58 T HA 0.343 4.694 4.350 0.000 0.000 0.277 58 T C 1.092 175.790 174.700 -0.004 0.000 0.975 58 T CA 0.085 62.182 62.100 -0.005 0.000 0.966 58 T CB 1.336 70.203 68.868 -0.001 0.000 1.054 58 T HN 0.661 nan 8.240 nan 0.000 0.533 59 K N 0.261 120.659 120.400 -0.004 0.000 2.057 59 K HA -0.057 4.263 4.320 0.000 0.000 0.207 59 K C 2.484 179.085 176.600 0.002 0.000 1.049 59 K CA 2.282 58.568 56.287 -0.002 0.000 0.931 59 K CB -1.901 30.598 32.500 -0.002 0.000 0.714 59 K HN 0.769 nan 8.250 nan 0.000 0.440 60 T N 0.719 115.274 114.554 0.003 0.000 2.777 60 T HA -0.096 4.254 4.350 0.000 0.000 0.266 60 T C 1.874 176.579 174.700 0.009 0.000 1.040 60 T CA 1.380 63.483 62.100 0.006 0.000 1.141 60 T CB -0.152 68.719 68.868 0.005 0.000 0.868 60 T HN 0.667 nan 8.240 nan 0.000 0.444 61 E N 0.570 120.775 120.200 0.008 0.000 2.085 61 E HA -0.120 4.230 4.350 0.000 0.000 0.194 61 E C 2.133 178.742 176.600 0.016 0.000 0.994 61 E CA 0.858 57.266 56.400 0.013 0.000 0.801 61 E CB -0.265 29.443 29.700 0.012 0.000 0.743 61 E HN 0.219 nan 8.360 nan 0.000 0.453 62 L N 1.711 122.941 121.223 0.011 0.000 2.042 62 L HA -0.222 4.118 4.340 0.000 0.000 0.210 62 L C 1.855 178.736 176.870 0.017 0.000 1.076 62 L CA 1.869 56.716 54.840 0.012 0.000 0.749 62 L CB -0.254 41.807 42.059 0.003 0.000 0.893 62 L HN 0.059 nan 8.230 nan 0.000 0.432 63 E N -0.456 119.752 120.200 0.014 0.000 2.051 63 E HA -0.255 4.095 4.350 0.000 0.000 0.192 63 E C 2.137 178.749 176.600 0.020 0.000 0.991 63 E CA 1.676 58.085 56.400 0.016 0.000 0.799 63 E CB -0.155 29.552 29.700 0.012 0.000 0.748 63 E HN 0.523 nan 8.360 nan 0.000 0.449 64 K N 0.404 120.816 120.400 0.020 0.000 2.097 64 K HA -0.105 4.215 4.320 0.000 0.000 0.206 64 K C 2.159 178.778 176.600 0.030 0.000 1.049 64 K CA 0.956 57.257 56.287 0.022 0.000 0.933 64 K CB -0.081 32.431 32.500 0.020 0.000 0.717 64 K HN 0.145 nan 8.250 nan 0.000 0.442 65 I N 1.110 121.701 120.570 0.034 0.000 2.202 65 I HA -0.265 3.905 4.170 0.000 0.000 0.242 65 I C 2.182 178.329 176.117 0.051 0.000 1.091 65 I CA 1.134 62.461 61.300 0.046 0.000 1.368 65 I CB -0.188 37.842 38.000 0.050 0.000 1.058 65 I HN 0.113 nan 8.210 nan 0.000 0.410 66 L N -0.256 120.993 121.223 0.043 0.000 2.046 66 L HA -0.213 4.127 4.340 0.000 0.000 0.208 66 L C 2.750 179.647 176.870 0.045 0.000 1.077 66 L CA 1.402 56.269 54.840 0.045 0.000 0.747 66 L CB -0.632 41.448 42.059 0.036 0.000 0.896 66 L HN 0.268 nan 8.230 nan 0.000 0.432 67 S N 0.219 115.941 115.700 0.037 0.000 2.356 67 S HA -0.142 4.328 4.470 0.000 0.000 0.223 67 S C 2.027 176.652 174.600 0.041 0.000 1.032 67 S CA 1.481 59.702 58.200 0.035 0.000 1.005 67 S CB -0.438 62.777 63.200 0.026 0.000 0.867 67 S HN 0.499 nan 8.310 nan 0.000 0.449 68 G N 1.408 110.235 108.800 0.044 0.000 2.418 68 G HA2 -0.073 3.887 3.960 0.000 0.000 0.217 68 G HA3 -0.073 3.887 3.960 0.000 0.000 0.217 68 G C 1.470 176.413 174.900 0.072 0.000 1.158 68 G CA 0.833 45.963 45.100 0.051 0.000 0.771 68 G HN 0.516 nan 8.290 nan 0.000 0.545 69 L N 0.079 121.349 121.223 0.078 0.000 2.046 69 L HA -0.058 4.282 4.340 0.000 0.000 0.208 69 L C 2.922 179.852 176.870 0.100 0.000 1.077 69 L CA 1.227 56.126 54.840 0.098 0.000 0.747 69 L CB -0.391 41.722 42.059 0.091 0.000 0.896 69 L HN 0.305 nan 8.230 nan 0.000 0.432 70 E N 0.137 120.383 120.200 0.077 0.000 2.110 70 E HA -0.232 4.118 4.350 0.000 0.000 0.193 70 E C 2.158 178.805 176.600 0.079 0.000 0.988 70 E CA 1.065 57.508 56.400 0.072 0.000 0.804 70 E CB 0.002 29.734 29.700 0.053 0.000 0.745 70 E HN 0.450 nan 8.360 nan 0.000 0.458 71 K N 0.547 120.989 120.400 0.069 0.000 2.097 71 K HA -0.097 4.223 4.320 0.000 0.000 0.205 71 K C 2.139 178.791 176.600 0.087 0.000 1.050 71 K CA 0.954 57.277 56.287 0.061 0.000 0.938 71 K CB -0.074 32.449 32.500 0.039 0.000 0.718 71 K HN 0.112 nan 8.250 nan 0.000 0.442 72 I N 0.583 121.229 120.570 0.127 0.000 2.226 72 I HA -0.287 3.883 4.170 0.000 0.000 0.245 72 I C 2.625 178.906 176.117 0.272 0.000 1.100 72 I CA 0.932 62.353 61.300 0.202 0.000 1.374 72 I CB -0.308 37.853 38.000 0.269 0.000 1.057 72 I HN 0.170 nan 8.210 nan 0.000 0.413 73 S N 0.677 116.519 115.700 0.237 0.000 2.359 73 S HA -0.278 4.192 4.470 0.000 0.000 0.224 73 S C 2.022 176.748 174.600 0.209 0.000 1.035 73 S CA 2.011 60.354 58.200 0.239 0.000 1.018 73 S CB -0.203 63.082 63.200 0.141 0.000 0.876 73 S HN 0.390 nan 8.310 nan 0.000 0.448 74 E N 0.994 121.277 120.200 0.138 0.000 2.150 74 E HA -0.071 4.279 4.350 0.000 0.000 0.193 74 E C 1.981 178.640 176.600 0.098 0.000 0.985 74 E CA 1.385 57.846 56.400 0.102 0.000 0.814 74 E CB -0.288 29.451 29.700 0.065 0.000 0.752 74 E HN 0.711 nan 8.360 nan 0.000 0.466 75 E N -1.160 119.092 120.200 0.087 0.000 2.106 75 E HA -0.170 4.180 4.350 0.000 0.000 0.192 75 E C 1.834 178.461 176.600 0.045 0.000 0.984 75 E CA 1.022 57.434 56.400 0.021 0.000 0.806 75 E CB -0.256 29.420 29.700 -0.039 0.000 0.750 75 E HN 0.409 nan 8.360 nan 0.000 0.458 76 W N 1.034 122.412 121.300 0.130 0.000 2.379 76 W HA -0.189 4.471 4.660 0.000 0.000 0.307 76 W C 2.995 179.534 176.519 0.034 0.000 1.200 76 W CA 1.395 58.773 57.345 0.054 0.000 1.297 76 W CB -0.338 29.089 29.460 -0.055 0.000 1.140 76 W HN 0.087 nan 8.180 nan 0.000 0.507 77 S N 0.354 116.215 115.700 0.268 0.000 2.382 77 S HA -0.185 4.285 4.470 0.000 0.000 0.228 77 S C 1.566 176.235 174.600 0.115 0.000 1.027 77 S CA 1.341 59.636 58.200 0.158 0.000 0.991 77 S CB -0.471 62.797 63.200 0.114 0.000 0.823 77 S HN 0.270 nan 8.310 nan 0.000 0.469 78 K N 0.677 121.136 120.400 0.098 0.000 2.432 78 K HA 0.202 4.522 4.320 0.000 0.000 0.196 78 K C 1.328 177.964 176.600 0.060 0.000 1.038 78 K CA 0.442 56.766 56.287 0.061 0.000 0.986 78 K CB -0.396 32.126 32.500 0.037 0.000 0.782 78 K HN 0.615 nan 8.250 nan 0.000 0.485 79 G N 1.027 109.882 108.800 0.091 0.000 2.148 79 G HA2 -0.260 3.700 3.960 0.000 0.000 0.254 79 G HA3 -0.260 3.700 3.960 0.000 0.000 0.254 79 G C 0.651 175.572 174.900 0.034 0.000 0.981 79 G CA 0.475 45.628 45.100 0.089 0.000 0.670 79 G HN 0.283 nan 8.290 nan 0.000 0.528 80 V N -2.581 117.330 119.914 -0.007 0.000 3.647 80 V HA 0.617 4.737 4.120 0.000 0.000 0.279 80 V C 1.200 177.203 176.094 -0.153 0.000 1.314 80 V CA -0.002 62.259 62.300 -0.064 0.000 1.125 80 V CB -0.562 31.222 31.823 -0.066 0.000 0.907 80 V HN 0.566 nan 8.190 nan 0.000 0.434 81 F N 1.713 121.430 119.950 -0.388 0.000 2.572 81 F HA 0.400 4.927 4.527 0.000 0.000 0.370 81 F C 0.305 175.824 175.800 -0.468 0.000 1.103 81 F CA 0.280 57.886 58.000 -0.656 0.000 1.286 81 F CB 0.909 38.957 39.000 -1.586 0.000 1.105 81 F HN -0.062 nan 8.300 nan 0.000 0.583 82 V N 7.801 127.155 119.914 -0.932 0.000 2.318 82 V HA 0.186 4.306 4.120 0.000 0.000 0.271 82 V C -0.230 175.654 176.094 -0.350 0.000 1.030 82 V CA -0.760 61.247 62.300 -0.487 0.000 0.844 82 V CB 0.832 32.415 31.823 -0.401 0.000 1.015 82 V HN 0.549 nan 8.190 nan 0.000 0.460 83 V N 6.409 126.349 119.914 0.042 0.000 2.530 83 V HA 0.284 4.405 4.120 0.000 0.000 0.282 83 V C 0.442 176.570 176.094 0.058 0.000 1.048 83 V CA -0.422 61.994 62.300 0.194 0.000 0.997 83 V CB 1.160 33.128 31.823 0.241 0.000 0.987 83 V HN 0.786 nan 8.190 nan 0.000 0.477 84 K N 3.169 123.602 120.400 0.056 0.000 2.156 84 K HA 0.511 4.831 4.320 0.000 0.000 0.250 84 K C 1.218 177.836 176.600 0.030 0.000 0.955 84 K CA -0.189 56.108 56.287 0.016 0.000 0.855 84 K CB 1.389 33.886 32.500 -0.006 0.000 1.101 84 K HN 0.632 nan 8.250 nan 0.000 0.434 85 Q N 0.616 120.426 119.800 0.016 0.000 2.248 85 Q HA -0.182 4.158 4.340 0.000 0.000 0.208 85 Q C 1.788 177.799 176.000 0.018 0.000 0.984 85 Q CA 2.568 58.382 55.803 0.017 0.000 0.875 85 Q CB -0.943 nan 28.738 nan 0.000 0.910 85 Q HN 0.775 nan 8.270 nan 0.000 0.433 86 S N -0.194 115.517 115.700 0.018 0.000 2.489 86 S HA 0.008 4.478 4.470 0.000 0.000 0.228 86 S C 0.116 174.731 174.600 0.025 0.000 0.995 86 S CA 0.215 58.426 58.200 0.018 0.000 0.934 86 S CB 0.006 63.214 63.200 0.014 0.000 0.771 86 S HN 0.611 nan 8.310 nan 0.000 0.522 87 D N 3.393 123.816 120.400 0.037 0.000 2.346 87 D HA 0.076 4.716 4.640 0.000 0.000 0.260 87 D C 1.232 177.544 176.300 0.021 0.000 1.252 87 D CA 0.047 54.075 54.000 0.045 0.000 0.895 87 D CB 0.833 41.684 40.800 0.086 0.000 1.097 87 D HN 0.595 nan 8.370 nan 0.000 0.489 88 E N 1.648 121.855 120.200 0.011 0.000 2.435 88 E HA -0.069 4.281 4.350 0.000 0.000 0.195 88 E C -0.161 176.417 176.600 -0.037 0.000 1.029 88 E CA 0.341 56.739 56.400 -0.005 0.000 0.865 88 E CB 0.099 29.804 29.700 0.008 0.000 0.833 88 E HN 0.529 nan 8.360 nan 0.000 0.510 89 D N -1.260 119.115 120.400 -0.041 0.000 2.671 89 D HA 0.076 4.716 4.640 0.000 0.000 0.273 89 D C 0.437 176.644 176.300 -0.154 0.000 1.264 89 D CA -0.771 53.163 54.000 -0.110 0.000 0.788 89 D CB 0.015 40.787 40.800 -0.048 0.000 1.324 89 D HN -0.132 nan 8.370 nan 0.000 0.424 90 I N 0.314 120.686 120.570 -0.330 0.000 2.264 90 I HA -0.186 3.985 4.170 0.000 0.000 0.248 90 I C 1.637 177.560 176.117 -0.324 0.000 1.111 90 I CA 1.867 62.940 61.300 -0.378 0.000 1.382 90 I CB -0.505 37.162 38.000 -0.555 0.000 1.060 90 I HN 0.530 nan 8.210 nan 0.000 0.418 91 H N -0.966 118.065 119.070 -0.064 0.000 2.353 91 H HA -0.108 4.448 4.556 0.000 0.000 0.300 91 H C 2.142 177.446 175.328 -0.040 0.000 1.090 91 H CA 1.919 57.933 56.048 -0.058 0.000 1.327 91 H CB -0.773 28.946 29.762 -0.072 0.000 1.383 91 H HN 0.270 nan 8.280 nan 0.000 0.508 92 T N 0.463 115.053 114.554 0.060 0.000 2.821 92 T HA -0.127 4.223 4.350 0.000 0.000 0.267 92 T C 2.384 177.131 174.700 0.079 0.000 1.046 92 T CA 0.985 63.110 62.100 0.042 0.000 1.139 92 T CB -0.423 68.464 68.868 0.033 0.000 0.871 92 T HN 0.508 nan 8.240 nan 0.000 0.454 93 A N 2.633 125.515 122.820 0.103 0.000 1.865 93 A HA -0.173 4.147 4.320 0.000 0.000 0.217 93 A C 2.265 180.045 177.584 0.327 0.000 1.191 93 A CA 1.596 53.777 52.037 0.241 0.000 0.623 93 A CB -0.662 18.500 19.000 0.270 0.000 0.826 93 A HN 0.374 nan 8.150 nan 0.000 0.444 94 N N -0.431 118.399 118.700 0.217 0.000 2.244 94 N HA -0.135 4.605 4.740 0.000 0.000 0.183 94 N C 1.714 177.330 175.510 0.177 0.000 1.016 94 N CA 1.363 54.559 53.050 0.243 0.000 0.866 94 N CB -0.338 38.242 38.487 0.156 0.000 0.980 94 N HN 0.804 nan 8.380 nan 0.000 0.430 95 E N 1.223 121.489 120.200 0.110 0.000 2.047 95 E HA -0.161 4.189 4.350 0.000 0.000 0.191 95 E C 2.093 178.733 176.600 0.068 0.000 0.987 95 E CA 0.613 57.047 56.400 0.058 0.000 0.799 95 E CB 0.095 29.788 29.700 -0.011 0.000 0.752 95 E HN 0.211 nan 8.360 nan 0.000 0.449 96 R N 0.341 120.890 120.500 0.082 0.000 2.073 96 R HA -0.186 4.154 4.340 0.000 0.000 0.234 96 R C 2.531 178.868 176.300 0.060 0.000 1.134 96 R CA 1.736 57.873 56.100 0.062 0.000 0.952 96 R CB -0.230 30.108 30.300 0.063 0.000 0.850 96 R HN -0.015 nan 8.270 nan 0.000 0.433 97 R N 0.892 121.459 120.500 0.112 0.000 2.091 97 R HA -0.130 4.210 4.340 0.000 0.000 0.238 97 R C 2.169 178.506 176.300 0.061 0.000 1.136 97 R CA 1.464 57.604 56.100 0.067 0.000 0.959 97 R CB -0.987 29.418 30.300 0.174 0.000 0.856 97 R HN 0.355 nan 8.270 nan 0.000 0.437 98 L N 0.953 122.233 121.223 0.094 0.000 2.046 98 L HA -0.100 4.240 4.340 0.000 0.000 0.208 98 L C 2.176 179.073 176.870 0.045 0.000 1.077 98 L CA 2.021 56.905 54.840 0.074 0.000 0.747 98 L CB -0.577 41.533 42.059 0.085 0.000 0.896 98 L HN 0.245 nan 8.230 nan 0.000 0.432 99 K N -0.539 119.884 120.400 0.039 0.000 2.097 99 K HA -0.186 4.135 4.320 0.000 0.000 0.205 99 K C 1.882 178.489 176.600 0.010 0.000 1.050 99 K CA 1.649 57.951 56.287 0.025 0.000 0.938 99 K CB -0.080 32.433 32.500 0.022 0.000 0.718 99 K HN 0.492 nan 8.250 nan 0.000 0.442 100 E N 0.482 120.683 120.200 0.001 0.000 2.150 100 E HA -0.165 4.185 4.350 0.000 0.000 0.193 100 E C 2.035 178.625 176.600 -0.017 0.000 0.985 100 E CA 1.004 57.392 56.400 -0.019 0.000 0.814 100 E CB 0.020 29.692 29.700 -0.045 0.000 0.752 100 E HN 0.323 nan 8.360 nan 0.000 0.466 101 L N 0.459 121.678 121.223 -0.007 0.000 2.095 101 L HA -0.009 4.331 4.340 0.000 0.000 0.204 101 L C 2.461 179.333 176.870 0.005 0.000 1.080 101 L CA 0.884 55.722 54.840 -0.004 0.000 0.759 101 L CB -0.136 41.927 42.059 0.007 0.000 0.914 101 L HN 0.231 nan 8.230 nan 0.000 0.439 102 I N -4.286 116.292 120.570 0.013 0.000 4.227 102 I HA 0.496 4.666 4.170 0.000 0.000 0.334 102 I C 0.900 177.026 176.117 0.014 0.000 1.341 102 I CA 0.188 61.497 61.300 0.015 0.000 1.123 102 I CB 0.445 38.459 38.000 0.023 0.000 1.097 102 I HN 0.188 nan 8.210 nan 0.000 0.399 103 G N 2.254 111.062 108.800 0.013 0.000 2.615 103 G HA2 -0.270 3.690 3.960 0.000 0.000 0.218 103 G HA3 -0.270 3.690 3.960 0.000 0.000 0.218 103 G C -0.004 174.907 174.900 0.018 0.000 1.339 103 G CA 0.230 45.338 45.100 0.012 0.000 0.884 103 G HN 0.245 nan 8.290 nan 0.000 0.559 104 D N 0.223 120.632 120.400 0.016 0.000 2.170 104 D HA -0.197 4.443 4.640 0.000 0.000 0.193 104 D C 2.567 178.882 176.300 0.026 0.000 1.004 104 D CA 2.133 56.145 54.000 0.020 0.000 0.860 104 D CB -0.386 40.424 40.800 0.016 0.000 0.931 104 D HN 0.848 nan 8.370 nan 0.000 0.448 105 I N -1.573 119.012 120.570 0.025 0.000 2.700 105 I HA -0.135 4.035 4.170 0.000 0.000 0.261 105 I C 2.211 178.353 176.117 0.040 0.000 1.219 105 I CA 1.165 62.483 61.300 0.030 0.000 1.463 105 I CB -0.369 37.646 38.000 0.025 0.000 1.092 105 I HN -0.149 nan 8.210 nan 0.000 0.452 106 A N 2.183 125.027 122.820 0.040 0.000 1.940 106 A HA -0.071 4.249 4.320 0.000 0.000 0.219 106 A C 2.419 180.040 177.584 0.061 0.000 1.176 106 A CA 1.757 53.825 52.037 0.051 0.000 0.631 106 A CB -1.613 17.414 19.000 0.045 0.000 0.814 106 A HN 0.553 nan 8.150 nan 0.000 0.446 107 G N -0.421 108.411 108.800 0.054 0.000 2.498 107 G HA2 -0.201 3.759 3.960 0.000 0.000 0.219 107 G HA3 -0.201 3.759 3.960 0.000 0.000 0.219 107 G C 1.503 176.456 174.900 0.088 0.000 1.119 107 G CA 0.967 46.106 45.100 0.065 0.000 0.766 107 G HN 0.629 nan 8.290 nan 0.000 0.552 108 K N -0.497 119.950 120.400 0.078 0.000 2.366 108 K HA 0.118 4.438 4.320 0.000 0.000 0.198 108 K C 2.119 178.791 176.600 0.121 0.000 1.044 108 K CA 0.068 56.404 56.287 0.082 0.000 0.973 108 K CB -0.060 32.473 32.500 0.054 0.000 0.767 108 K HN 0.269 nan 8.250 nan 0.000 0.475 109 L N 0.771 122.078 121.223 0.141 0.000 2.131 109 L HA -0.172 4.168 4.340 0.000 0.000 0.210 109 L C 1.862 178.918 176.870 0.310 0.000 1.092 109 L CA 1.831 56.793 54.840 0.204 0.000 0.759 109 L CB -0.451 41.711 42.059 0.171 0.000 0.903 109 L HN 0.288 nan 8.230 nan 0.000 0.435 110 H N -1.312 117.825 119.070 0.111 0.000 2.547 110 H HA 0.068 4.624 4.556 0.000 0.000 0.266 110 H C -0.065 175.323 175.328 0.099 0.000 0.988 110 H CA 0.128 56.217 56.048 0.069 0.000 1.147 110 H CB 0.125 29.898 29.762 0.019 0.000 1.365 110 H HN 0.273 nan 8.280 nan 0.000 0.589 111 T N 0.266 114.916 114.554 0.160 0.000 2.822 111 T HA 0.043 4.394 4.350 0.000 0.000 0.288 111 T C 1.246 176.012 174.700 0.109 0.000 0.991 111 T CA 0.882 63.035 62.100 0.088 0.000 1.176 111 T CB 0.293 69.210 68.868 0.082 0.000 0.951 111 T HN 0.649 nan 8.240 nan 0.000 0.526 112 G N 2.946 111.743 108.800 -0.004 0.000 2.189 112 G HA2 -0.304 3.656 3.960 0.000 0.000 0.267 112 G HA3 -0.304 3.656 3.960 0.000 0.000 0.267 112 G C 0.237 175.092 174.900 -0.075 0.000 0.975 112 G CA 0.577 45.679 45.100 0.004 0.000 0.644 112 G HN 0.840 nan 8.290 nan 0.000 0.537 113 R N 0.128 120.459 120.500 -0.282 0.000 2.598 113 R HA 0.681 5.022 4.340 0.000 0.000 0.279 113 R C -0.136 175.805 176.300 -0.599 0.000 0.984 113 R CA 0.227 56.021 56.100 -0.509 0.000 0.999 113 R CB 1.335 31.196 30.300 -0.732 0.000 1.114 113 R HN 0.302 nan 8.270 nan 0.000 0.493 114 S N 0.750 116.225 115.700 -0.374 0.000 2.599 114 S HA 0.345 4.815 4.470 0.000 0.000 0.294 114 S C 0.647 175.156 174.600 -0.151 0.000 1.094 114 S CA -0.854 57.194 58.200 -0.254 0.000 0.931 114 S CB 1.694 64.767 63.200 -0.212 0.000 1.093 114 S HN 0.698 nan 8.310 nan 0.000 0.488 115 R N 1.906 122.343 120.500 -0.104 0.000 2.152 115 R HA -0.044 4.297 4.340 0.000 0.000 0.232 115 R C 1.240 177.373 176.300 -0.277 0.000 1.117 115 R CA 1.175 57.155 56.100 -0.201 0.000 0.981 115 R CB -1.023 29.170 30.300 -0.178 0.000 0.870 115 R HN 0.629 nan 8.270 nan 0.000 0.451 116 N N 1.378 119.897 118.700 -0.303 0.000 2.104 116 N HA -0.165 4.576 4.740 0.000 0.000 0.190 116 N C 1.237 176.641 175.510 -0.176 0.000 1.024 116 N CA 1.794 54.653 53.050 -0.318 0.000 0.853 116 N CB -0.352 37.913 38.487 -0.370 0.000 1.008 116 N HN 0.426 nan 8.380 nan 0.000 0.424 117 D N -0.280 120.016 120.400 -0.174 0.000 2.346 117 D HA -0.070 4.571 4.640 0.000 0.000 0.206 117 D C 1.632 177.842 176.300 -0.151 0.000 1.001 117 D CA 0.352 54.268 54.000 -0.141 0.000 0.871 117 D CB -0.402 40.314 40.800 -0.141 0.000 0.943 117 D HN 0.306 nan 8.370 nan 0.000 0.518 118 Q N 0.409 120.092 119.800 -0.195 0.000 2.083 118 Q HA -0.063 4.277 4.340 0.000 0.000 0.198 118 Q C 2.115 178.014 176.000 -0.169 0.000 0.969 118 Q CA 0.868 56.550 55.803 -0.200 0.000 0.838 118 Q CB 0.130 28.709 28.738 -0.264 0.000 0.900 118 Q HN 0.140 nan 8.270 nan 0.000 0.436 119 V N 0.373 120.157 119.914 -0.217 0.000 2.358 119 V HA -0.185 3.935 4.120 0.000 0.000 0.246 119 V C 2.277 178.405 176.094 0.057 0.000 1.047 119 V CA 1.725 63.983 62.300 -0.071 0.000 1.035 119 V CB -0.048 31.741 31.823 -0.056 0.000 0.658 119 V HN 0.528 nan 8.190 nan 0.000 0.452 120 V N -2.670 117.267 119.914 0.038 0.000 2.515 120 V HA -0.170 3.951 4.120 0.000 0.000 0.250 120 V C 2.305 178.398 176.094 -0.000 0.000 1.058 120 V CA 2.401 64.745 62.300 0.074 0.000 1.064 120 V CB -1.685 30.166 31.823 0.046 0.000 0.675 120 V HN 0.530 nan 8.190 nan 0.000 0.461 121 T N 0.661 115.203 114.554 -0.019 0.000 2.708 121 T HA -0.157 4.193 4.350 0.000 0.000 0.266 121 T C 1.644 176.415 174.700 0.118 0.000 1.037 121 T CA 2.036 64.143 62.100 0.012 0.000 1.146 121 T CB -0.485 68.378 68.868 -0.008 0.000 0.865 121 T HN 0.556 nan 8.240 nan 0.000 0.435 122 D N 0.899 121.369 120.400 0.116 0.000 2.097 122 D HA -0.043 4.597 4.640 0.000 0.000 0.195 122 D C 1.996 178.419 176.300 0.205 0.000 0.989 122 D CA 0.599 54.694 54.000 0.159 0.000 0.827 122 D CB -0.542 40.371 40.800 0.187 0.000 0.966 122 D HN 0.137 nan 8.370 nan 0.000 0.456 123 L N 1.066 122.414 121.223 0.209 0.000 2.083 123 L HA -0.131 4.209 4.340 0.000 0.000 0.209 123 L C 1.857 178.904 176.870 0.294 0.000 1.083 123 L CA 1.740 56.751 54.840 0.284 0.000 0.752 123 L CB -0.254 41.994 42.059 0.315 0.000 0.899 123 L HN -0.090 nan 8.230 nan 0.000 0.433 124 K N -0.937 119.542 120.400 0.132 0.000 2.057 124 K HA -0.114 4.206 4.320 0.000 0.000 0.206 124 K C 2.096 178.764 176.600 0.112 0.000 1.050 124 K CA 1.393 57.702 56.287 0.035 0.000 0.935 124 K CB -0.280 32.153 32.500 -0.111 0.000 0.715 124 K HN 0.309 nan 8.250 nan 0.000 0.439 125 L N 0.138 121.456 121.223 0.158 0.000 2.046 125 L HA -0.186 4.154 4.340 0.000 0.000 0.208 125 L C 2.410 179.295 176.870 0.025 0.000 1.077 125 L CA 1.129 55.981 54.840 0.020 0.000 0.747 125 L CB -0.394 41.698 42.059 0.054 0.000 0.896 125 L HN 0.124 nan 8.230 nan 0.000 0.432 126 F N 0.476 120.431 119.950 0.008 0.000 2.102 126 F HA -0.268 4.259 4.527 0.000 0.000 0.298 126 F C 2.444 178.236 175.800 -0.013 0.000 1.105 126 F CA 1.665 59.672 58.000 0.012 0.000 1.239 126 F CB -0.164 38.892 39.000 0.094 0.000 0.991 126 F HN -0.061 nan 8.300 nan 0.000 0.474 127 M N 0.125 119.727 119.600 0.003 0.000 2.175 127 M HA -0.196 4.284 4.480 0.000 0.000 0.264 127 M C 2.325 178.482 176.300 -0.239 0.000 1.063 127 M CA 1.732 56.927 55.300 -0.175 0.000 1.119 127 M CB -0.492 32.102 32.600 -0.010 0.000 1.377 127 M HN 0.135 nan 8.290 nan 0.000 0.415 128 K N 0.582 120.881 120.400 -0.168 0.000 2.026 128 K HA -0.180 4.140 4.320 0.000 0.000 0.208 128 K C 1.601 178.072 176.600 -0.215 0.000 1.048 128 K CA 1.588 57.767 56.287 -0.180 0.000 0.929 128 K CB 0.008 32.383 32.500 -0.208 0.000 0.713 128 K HN 0.288 nan 8.250 nan 0.000 0.439 129 N N 0.379 118.925 118.700 -0.256 0.000 2.142 129 N HA -0.096 4.644 4.740 0.000 0.000 0.186 129 N C 1.851 177.187 175.510 -0.291 0.000 1.023 129 N CA 1.329 54.227 53.050 -0.254 0.000 0.852 129 N CB -0.399 37.937 38.487 -0.252 0.000 0.998 129 N HN 0.106 nan 8.380 nan 0.000 0.424 130 S N 1.124 116.558 115.700 -0.444 0.000 2.368 130 S HA 0.051 4.522 4.470 0.000 0.000 0.225 130 S C 2.077 176.565 174.600 -0.187 0.000 1.030 130 S CA 0.539 58.506 58.200 -0.389 0.000 0.999 130 S CB -0.197 62.639 63.200 -0.605 0.000 0.844 130 S HN 0.240 nan 8.310 nan 0.000 0.459 131 L N 1.067 122.177 121.223 -0.189 0.000 2.201 131 L HA -0.058 4.282 4.340 0.000 0.000 0.212 131 L C 2.382 179.201 176.870 -0.085 0.000 1.105 131 L CA 0.705 55.489 54.840 -0.094 0.000 0.775 131 L CB -0.421 41.566 42.059 -0.121 0.000 0.913 131 L HN 0.259 nan 8.230 nan 0.000 0.440 132 S N -0.048 115.581 115.700 -0.118 0.000 2.383 132 S HA -0.074 4.396 4.470 0.000 0.000 0.227 132 S C 1.932 176.468 174.600 -0.107 0.000 1.026 132 S CA 1.006 59.141 58.200 -0.108 0.000 0.981 132 S CB -0.106 63.023 63.200 -0.119 0.000 0.818 132 S HN 0.297 nan 8.310 nan 0.000 0.472 133 I N 1.220 121.725 120.570 -0.109 0.000 2.202 133 I HA -0.155 4.015 4.170 0.000 0.000 0.242 133 I C 2.011 178.077 176.117 -0.085 0.000 1.091 133 I CA 1.182 62.408 61.300 -0.124 0.000 1.368 133 I CB -0.349 37.616 38.000 -0.059 0.000 1.058 133 I HN 0.235 nan 8.210 nan 0.000 0.410 134 I N -0.002 120.599 120.570 0.051 0.000 2.286 134 I HA -0.324 3.846 4.170 0.000 0.000 0.248 134 I C 2.786 178.977 176.117 0.122 0.000 1.115 134 I CA 1.396 62.801 61.300 0.176 0.000 1.392 134 I CB -0.326 37.833 38.000 0.265 0.000 1.065 134 I HN 0.231 nan 8.210 nan 0.000 0.418 135 S N 0.125 115.846 115.700 0.036 0.000 2.370 135 S HA -0.210 4.260 4.470 0.000 0.000 0.226 135 S C 2.086 176.677 174.600 -0.015 0.000 1.033 135 S CA 2.309 60.516 58.200 0.012 0.000 1.011 135 S CB -0.349 62.830 63.200 -0.036 0.000 0.852 135 S HN 0.429 nan 8.310 nan 0.000 0.457 136 T N 1.454 115.947 114.554 -0.102 0.000 2.684 136 T HA -0.105 4.245 4.350 0.000 0.000 0.267 136 T C 1.636 176.272 174.700 -0.106 0.000 1.036 136 T CA 1.657 63.663 62.100 -0.157 0.000 1.148 136 T CB -0.573 68.115 68.868 -0.300 0.000 0.863 136 T HN 0.542 nan 8.240 nan 0.000 0.436 137 H N 0.446 119.537 119.070 0.034 0.000 2.389 137 H HA 0.146 4.702 4.556 0.000 0.000 0.299 137 H C 2.353 177.705 175.328 0.039 0.000 1.081 137 H CA 0.600 56.670 56.048 0.036 0.000 1.345 137 H CB -0.589 29.200 29.762 0.045 0.000 1.393 137 H HN 0.241 nan 8.280 nan 0.000 0.520 138 L N 0.431 121.756 121.223 0.169 0.000 2.056 138 L HA -0.137 4.203 4.340 0.000 0.000 0.207 138 L C 2.235 179.153 176.870 0.080 0.000 1.078 138 L CA 0.898 55.815 54.840 0.129 0.000 0.749 138 L CB -0.252 41.904 42.059 0.162 0.000 0.901 138 L HN 0.194 nan 8.230 nan 0.000 0.433 139 L N -0.598 120.660 121.223 0.058 0.000 2.141 139 L HA -0.236 4.104 4.340 0.000 0.000 0.209 139 L C 2.550 179.437 176.870 0.029 0.000 1.094 139 L CA 0.915 55.774 54.840 0.032 0.000 0.763 139 L CB -0.368 41.698 42.059 0.012 0.000 0.908 139 L HN 0.340 nan 8.230 nan 0.000 0.437 140 Q N 0.367 120.194 119.800 0.044 0.000 2.119 140 Q HA -0.186 4.154 4.340 0.000 0.000 0.201 140 Q C 2.117 178.136 176.000 0.033 0.000 0.972 140 Q CA 1.515 57.345 55.803 0.045 0.000 0.847 140 Q CB -0.249 28.536 28.738 0.077 0.000 0.903 140 Q HN 0.461 nan 8.270 nan 0.000 0.433 141 L N -0.385 120.860 121.223 0.036 0.000 1.994 141 L HA -0.166 4.174 4.340 0.000 0.000 0.208 141 L C 2.101 178.965 176.870 -0.010 0.000 1.071 141 L CA 1.503 56.346 54.840 0.006 0.000 0.745 141 L CB -0.309 41.752 42.059 0.005 0.000 0.892 141 L HN 0.351 nan 8.230 nan 0.000 0.431 142 I N 0.128 120.696 120.570 -0.002 0.000 2.163 142 I HA -0.378 3.792 4.170 0.000 0.000 0.243 142 I C 2.640 178.746 176.117 -0.019 0.000 1.085 142 I CA 1.628 62.918 61.300 -0.016 0.000 1.347 142 I CB -0.410 37.586 38.000 -0.007 0.000 1.044 142 I HN 0.293 nan 8.210 nan 0.000 0.408 143 K N 0.637 121.033 120.400 -0.005 0.000 2.103 143 K HA -0.184 4.136 4.320 0.000 0.000 0.207 143 K C 2.032 178.629 176.600 -0.004 0.000 1.048 143 K CA 1.932 58.217 56.287 -0.003 0.000 0.930 143 K CB -0.097 32.406 32.500 0.005 0.000 0.716 143 K HN 0.236 nan 8.250 nan 0.000 0.444 144 T N 1.635 116.186 114.554 -0.004 0.000 2.777 144 T HA -0.080 4.270 4.350 0.000 0.000 0.266 144 T C 1.774 176.465 174.700 -0.016 0.000 1.040 144 T CA 1.243 63.341 62.100 -0.003 0.000 1.141 144 T CB -0.088 68.776 68.868 -0.006 0.000 0.868 144 T HN 0.155 nan 8.240 nan 0.000 0.444 145 L N 0.645 121.845 121.223 -0.038 0.000 2.056 145 L HA -0.070 4.270 4.340 0.000 0.000 0.207 145 L C 2.635 179.465 176.870 -0.066 0.000 1.078 145 L CA 0.868 55.668 54.840 -0.067 0.000 0.749 145 L CB -0.563 41.441 42.059 -0.092 0.000 0.901 145 L HN 0.138 nan 8.230 nan 0.000 0.433 146 V N -0.372 119.513 119.914 -0.048 0.000 2.427 146 V HA -0.254 3.866 4.120 0.000 0.000 0.248 146 V C 2.326 178.407 176.094 -0.021 0.000 1.051 146 V CA 1.673 63.949 62.300 -0.041 0.000 1.048 146 V CB -0.469 31.336 31.823 -0.031 0.000 0.666 146 V HN 0.447 nan 8.190 nan 0.000 0.456 147 E N -0.073 120.123 120.200 -0.007 0.000 2.077 147 E HA -0.258 4.092 4.350 0.000 0.000 0.193 147 E C 2.410 179.024 176.600 0.023 0.000 0.989 147 E CA 1.323 57.730 56.400 0.011 0.000 0.800 147 E CB -0.158 29.552 29.700 0.018 0.000 0.746 147 E HN 0.439 nan 8.360 nan 0.000 0.452 148 R N 0.631 121.144 120.500 0.021 0.000 2.092 148 R HA -0.088 4.252 4.340 0.000 0.000 0.231 148 R C 2.164 178.488 176.300 0.039 0.000 1.119 148 R CA 1.267 57.399 56.100 0.054 0.000 0.970 148 R CB -0.164 30.174 30.300 0.063 0.000 0.864 148 R HN 0.129 nan 8.270 nan 0.000 0.440 149 A N 0.362 123.164 122.820 -0.030 0.000 1.972 149 A HA -0.059 4.261 4.320 0.000 0.000 0.219 149 A C 2.294 179.885 177.584 0.011 0.000 1.169 149 A CA 1.556 53.563 52.037 -0.050 0.000 0.635 149 A CB -0.719 18.227 19.000 -0.090 0.000 0.810 149 A HN 0.516 nan 8.150 nan 0.000 0.446 150 A N -0.163 122.667 122.820 0.017 0.000 1.898 150 A HA 0.005 4.325 4.320 0.000 0.000 0.216 150 A C 1.958 179.571 177.584 0.049 0.000 1.181 150 A CA 1.482 53.536 52.037 0.028 0.000 0.620 150 A CB -0.368 18.644 19.000 0.021 0.000 0.819 150 A HN 0.405 nan 8.150 nan 0.000 0.442 151 I N -0.341 120.266 120.570 0.062 0.000 2.617 151 I HA -0.065 4.105 4.170 0.000 0.000 0.256 151 I C 0.947 177.126 176.117 0.102 0.000 1.167 151 I CA 1.050 62.395 61.300 0.074 0.000 1.469 151 I CB -0.892 37.152 38.000 0.074 0.000 1.098 151 I HN 0.414 nan 8.210 nan 0.000 0.436 152 E N 0.433 120.721 120.200 0.147 0.000 2.609 152 E HA 0.157 4.507 4.350 0.000 0.000 0.208 152 E C 1.628 178.357 176.600 0.215 0.000 1.013 152 E CA -0.198 56.330 56.400 0.213 0.000 1.093 152 E CB 0.445 30.376 29.700 0.384 0.000 1.129 152 E HN 0.308 nan 8.360 nan 0.000 0.450 153 I N 0.777 121.426 120.570 0.132 0.000 2.700 153 I HA -0.216 3.954 4.170 0.000 0.000 0.261 153 I C 0.822 177.001 176.117 0.102 0.000 1.219 153 I CA 1.216 62.580 61.300 0.106 0.000 1.463 153 I CB 0.374 38.415 38.000 0.068 0.000 1.092 153 I HN 0.041 nan 8.210 nan 0.000 0.452 154 D N 0.077 120.534 120.400 0.095 0.000 2.354 154 D HA 0.095 4.735 4.640 0.000 0.000 0.209 154 D C 0.566 176.909 176.300 0.071 0.000 1.015 154 D CA 0.307 54.351 54.000 0.075 0.000 0.867 154 D CB 0.213 41.046 40.800 0.056 0.000 0.933 154 D HN 0.068 nan 8.370 nan 0.000 0.520 155 V N 2.147 122.117 119.914 0.095 0.000 2.521 155 V HA 0.083 4.203 4.120 0.000 0.000 0.286 155 V C 0.598 176.728 176.094 0.059 0.000 1.034 155 V CA 0.132 62.461 62.300 0.048 0.000 1.045 155 V CB 0.769 32.606 31.823 0.024 0.000 0.974 155 V HN -0.034 nan 8.190 nan 0.000 0.480 156 I N 6.458 127.011 120.570 -0.027 0.000 2.509 156 I HA 0.668 4.839 4.170 0.000 0.000 0.293 156 I C -0.268 175.739 176.117 -0.183 0.000 1.020 156 I CA -0.493 60.780 61.300 -0.046 0.000 1.088 156 I CB 1.731 39.723 38.000 -0.013 0.000 1.267 156 I HN 0.591 nan 8.210 nan 0.000 0.430 157 L N 4.389 125.490 121.223 -0.204 0.000 2.502 157 L HA 0.803 5.143 4.340 0.000 0.000 0.253 157 L C -3.002 173.705 176.870 -0.270 0.000 1.070 157 L CA -2.230 52.388 54.840 -0.371 0.000 0.871 157 L CB 1.952 43.635 42.059 -0.627 0.000 1.487 157 L HN 0.150 nan 8.230 nan 0.000 0.408 158 P HA 0.255 nan 4.420 nan 0.000 0.271 158 P C -0.571 176.585 177.300 -0.240 0.000 1.218 158 P CA 0.100 63.018 63.100 -0.303 0.000 0.780 158 P CB 0.863 32.304 31.700 -0.431 0.000 0.901 159 G N 1.637 110.298 108.800 -0.232 0.000 2.356 159 G HA2 0.494 4.455 3.960 0.000 0.000 0.322 159 G HA3 0.494 4.455 3.960 0.000 0.000 0.322 159 G C -1.545 173.255 174.900 -0.167 0.000 1.125 159 G CA -0.206 44.865 45.100 -0.047 0.000 0.885 159 G HN 0.313 nan 8.290 nan 0.000 0.467 160 Y N 0.341 120.731 120.300 0.150 0.000 2.360 160 Y HA 0.426 4.976 4.550 0.000 0.000 0.337 160 Y C -0.171 175.786 175.900 0.094 0.000 1.039 160 Y CA -0.842 57.352 58.100 0.156 0.000 1.109 160 Y CB 2.567 41.171 38.460 0.240 0.000 1.201 160 Y HN 0.512 nan 8.280 nan 0.000 0.458 161 D N 2.135 122.659 120.400 0.208 0.000 2.505 161 D HA 0.265 4.906 4.640 0.000 0.000 0.250 161 D C -0.555 175.834 176.300 0.148 0.000 1.164 161 D CA -0.221 53.823 54.000 0.072 0.000 0.870 161 D CB 0.122 40.985 40.800 0.106 0.000 1.160 161 D HN 0.672 nan 8.370 nan 0.000 0.549 162 H N 3.754 122.916 119.070 0.153 0.000 2.862 162 H HA -0.185 4.371 4.556 0.000 0.000 0.290 162 H C 0.731 176.161 175.328 0.169 0.000 1.211 162 H CA 0.631 56.756 56.048 0.130 0.000 1.140 162 H CB -1.086 28.738 29.762 0.103 0.000 1.341 162 H HN 0.543 nan 8.280 nan 0.000 0.392 163 L N -1.343 120.050 121.223 0.284 0.000 4.001 163 L HA -0.266 4.074 4.340 0.000 0.000 0.413 163 L C 0.004 177.157 176.870 0.473 0.000 1.185 163 L CA 1.550 56.592 54.840 0.336 0.000 0.963 163 L CB -0.427 41.750 42.059 0.197 0.000 1.976 163 L HN 0.434 nan 8.230 nan 0.000 0.939 164 Q N 0.266 120.333 119.800 0.444 0.000 2.342 164 Q HA 0.395 4.735 4.340 0.000 0.000 0.267 164 Q C 0.062 176.176 176.000 0.190 0.000 1.038 164 Q CA -0.707 55.288 55.803 0.320 0.000 0.832 164 Q CB 1.663 30.529 28.738 0.214 0.000 1.323 164 Q HN 0.250 nan 8.270 nan 0.000 0.448 165 K N 1.095 121.507 120.400 0.020 0.000 2.436 165 K HA 0.158 4.478 4.320 0.000 0.000 0.282 165 K C 0.322 176.846 176.600 -0.127 0.000 1.044 165 K CA 0.141 56.264 56.287 -0.273 0.000 1.028 165 K CB 0.584 32.965 32.500 -0.198 0.000 0.919 165 K HN 0.667 nan 8.250 nan 0.000 0.474 166 A N 3.993 126.719 122.820 -0.157 0.000 2.182 166 A HA 0.042 4.362 4.320 0.000 0.000 0.222 166 A C -0.117 177.450 177.584 -0.029 0.000 1.904 166 A CA 0.285 52.298 52.037 -0.039 0.000 0.808 166 A CB 0.246 19.247 19.000 0.001 0.000 1.404 166 A HN 0.738 nan 8.150 nan 0.000 0.587 167 Q N -0.279 119.491 119.800 -0.050 0.000 2.389 167 Q HA 0.575 4.915 4.340 0.000 0.000 0.277 167 Q C -3.153 172.818 176.000 -0.049 0.000 1.082 167 Q CA -2.300 53.497 55.803 -0.011 0.000 0.810 167 Q CB 1.807 30.557 28.738 0.020 0.000 1.374 167 Q HN 0.083 nan 8.270 nan 0.000 0.422 168 P HA 0.148 nan 4.420 nan 0.000 0.266 168 P C -0.692 176.591 177.300 -0.029 0.000 1.195 168 P CA 0.217 63.307 63.100 -0.018 0.000 0.768 168 P CB 0.358 32.120 31.700 0.102 0.000 0.838 169 I N -1.784 118.764 120.570 -0.036 0.000 3.102 169 I HA 0.582 4.752 4.170 0.000 0.000 0.310 169 I C -0.731 175.406 176.117 0.033 0.000 1.246 169 I CA -1.692 59.597 61.300 -0.018 0.000 0.979 169 I CB 2.387 40.381 38.000 -0.010 0.000 1.267 169 I HN 0.025 nan 8.210 nan 0.000 0.451 170 R N 2.241 122.778 120.500 0.062 0.000 2.390 170 R HA 0.106 4.446 4.340 0.000 0.000 0.291 170 R C 0.647 177.063 176.300 0.192 0.000 1.070 170 R CA -0.366 55.801 56.100 0.112 0.000 1.014 170 R CB 1.052 31.409 30.300 0.095 0.000 1.007 170 R HN 0.896 nan 8.270 nan 0.000 0.466 171 W N 3.422 124.728 121.300 0.010 0.000 2.331 171 W HA -0.225 4.435 4.660 0.000 0.000 0.291 171 W C 0.492 177.112 176.519 0.168 0.000 1.214 171 W CA 1.442 58.822 57.345 0.059 0.000 1.228 171 W CB 0.114 29.566 29.460 -0.013 0.000 1.135 171 W HN 0.494 nan 8.180 nan 0.000 0.537 172 S N 0.617 116.353 115.700 0.061 0.000 2.402 172 S HA -0.271 4.200 4.470 0.000 0.000 0.229 172 S C 1.576 176.129 174.600 -0.078 0.000 1.021 172 S CA 1.784 59.929 58.200 -0.092 0.000 0.974 172 S CB -0.394 62.807 63.200 0.001 0.000 0.800 172 S HN 0.353 nan 8.310 nan 0.000 0.484 173 Q N 0.834 120.635 119.800 0.003 0.000 2.119 173 Q HA -0.071 4.269 4.340 0.000 0.000 0.201 173 Q C 1.733 177.713 176.000 -0.033 0.000 0.972 173 Q CA 1.454 57.248 55.803 -0.015 0.000 0.847 173 Q CB -0.495 28.250 28.738 0.013 0.000 0.903 173 Q HN 0.547 nan 8.270 nan 0.000 0.433 174 F N 0.030 119.915 119.950 -0.108 0.000 2.102 174 F HA -0.142 4.385 4.527 0.000 0.000 0.298 174 F C 1.497 177.186 175.800 -0.185 0.000 1.105 174 F CA 1.469 59.408 58.000 -0.102 0.000 1.239 174 F CB -0.286 38.736 39.000 0.036 0.000 0.991 174 F HN 0.114 nan 8.300 nan 0.000 0.474 175 L N 0.037 121.031 121.223 -0.382 0.000 2.042 175 L HA -0.243 4.097 4.340 0.000 0.000 0.210 175 L C 2.497 179.166 176.870 -0.335 0.000 1.076 175 L CA 1.293 55.857 54.840 -0.460 0.000 0.749 175 L CB -0.801 40.979 42.059 -0.464 0.000 0.893 175 L HN 0.264 nan 8.230 nan 0.000 0.432 176 L N -0.552 120.516 121.223 -0.259 0.000 2.201 176 L HA -0.145 4.195 4.340 0.000 0.000 0.212 176 L C 2.853 179.579 176.870 -0.240 0.000 1.105 176 L CA 1.156 55.877 54.840 -0.197 0.000 0.775 176 L CB -0.534 41.445 42.059 -0.132 0.000 0.913 176 L HN 0.386 nan 8.230 nan 0.000 0.440 177 S N -1.424 114.075 115.700 -0.335 0.000 2.382 177 S HA -0.222 4.248 4.470 0.000 0.000 0.228 177 S C 1.936 176.247 174.600 -0.481 0.000 1.027 177 S CA 0.943 58.908 58.200 -0.392 0.000 0.991 177 S CB -0.550 62.378 63.200 -0.454 0.000 0.823 177 S HN 0.451 nan 8.310 nan 0.000 0.469 178 H N 1.772 120.609 119.070 -0.389 0.000 2.363 178 H HA 0.242 4.798 4.556 0.000 0.000 0.301 178 H C 2.693 177.854 175.328 -0.278 0.000 1.074 178 H CA 1.287 57.117 56.048 -0.364 0.000 1.354 178 H CB -0.843 28.667 29.762 -0.420 0.000 1.397 178 H HN 0.593 nan 8.280 nan 0.000 0.516 179 A N 0.757 123.495 122.820 -0.138 0.000 1.933 179 A HA -0.107 4.213 4.320 0.000 0.000 0.218 179 A C 2.819 180.334 177.584 -0.115 0.000 1.175 179 A CA 1.496 53.468 52.037 -0.110 0.000 0.628 179 A CB -0.825 18.114 19.000 -0.101 0.000 0.814 179 A HN 0.201 nan 8.150 nan 0.000 0.444 180 V N -0.200 119.627 119.914 -0.145 0.000 2.295 180 V HA -0.249 3.871 4.120 0.000 0.000 0.246 180 V C 3.061 179.067 176.094 -0.148 0.000 1.049 180 V CA 1.965 64.189 62.300 -0.127 0.000 1.024 180 V CB -1.192 30.552 31.823 -0.131 0.000 0.648 180 V HN 0.618 nan 8.190 nan 0.000 0.447 181 A N -0.331 122.339 122.820 -0.251 0.000 1.902 181 A HA -0.150 4.170 4.320 0.000 0.000 0.217 181 A C 2.188 179.603 177.584 -0.283 0.000 1.181 181 A CA 1.743 53.533 52.037 -0.411 0.000 0.623 181 A CB -0.549 17.947 19.000 -0.841 0.000 0.818 181 A HN 0.508 nan 8.150 nan 0.000 0.443 182 L N -0.690 120.424 121.223 -0.181 0.000 2.141 182 L HA -0.136 4.204 4.340 0.000 0.000 0.209 182 L C 2.649 179.541 176.870 0.037 0.000 1.094 182 L CA 1.558 56.393 54.840 -0.010 0.000 0.763 182 L CB -0.676 41.375 42.059 -0.012 0.000 0.908 182 L HN 0.329 nan 8.230 nan 0.000 0.437 183 T N -0.880 113.671 114.554 -0.005 0.000 2.867 183 T HA -0.133 4.217 4.350 0.000 0.000 0.268 183 T C 2.028 176.753 174.700 0.042 0.000 1.057 183 T CA 0.985 63.094 62.100 0.015 0.000 1.136 183 T CB -0.109 68.751 68.868 -0.013 0.000 0.874 183 T HN 0.284 nan 8.240 nan 0.000 0.466 184 R N 0.936 121.461 120.500 0.042 0.000 2.115 184 R HA -0.058 4.282 4.340 0.000 0.000 0.230 184 R C 2.048 178.433 176.300 0.142 0.000 1.111 184 R CA 1.219 57.365 56.100 0.076 0.000 0.976 184 R CB -0.207 30.138 30.300 0.076 0.000 0.870 184 R HN 0.383 nan 8.270 nan 0.000 0.445 185 D N -0.095 120.421 120.400 0.195 0.000 2.144 185 D HA -0.128 4.512 4.640 0.000 0.000 0.199 185 D C 1.805 178.300 176.300 0.325 0.000 0.984 185 D CA 1.165 55.345 54.000 0.300 0.000 0.834 185 D CB -0.205 40.767 40.800 0.286 0.000 0.955 185 D HN 0.036 nan 8.370 nan 0.000 0.465 186 S N 0.225 116.043 115.700 0.196 0.000 2.382 186 S HA -0.196 4.274 4.470 0.000 0.000 0.228 186 S C 1.837 176.465 174.600 0.047 0.000 1.027 186 S CA 1.333 59.602 58.200 0.115 0.000 0.991 186 S CB -0.016 63.228 63.200 0.073 0.000 0.823 186 S HN 0.236 nan 8.310 nan 0.000 0.469 187 E N 0.216 120.450 120.200 0.056 0.000 2.072 187 E HA -0.115 4.235 4.350 0.000 0.000 0.191 187 E C 2.399 179.012 176.600 0.022 0.000 0.985 187 E CA 0.813 57.230 56.400 0.030 0.000 0.801 187 E CB -0.032 29.690 29.700 0.036 0.000 0.750 187 E HN 0.440 nan 8.360 nan 0.000 0.452 188 R N 0.295 120.835 120.500 0.066 0.000 2.096 188 R HA -0.099 4.241 4.340 0.000 0.000 0.235 188 R C 2.633 178.885 176.300 -0.079 0.000 1.127 188 R CA 1.039 57.178 56.100 0.065 0.000 0.968 188 R CB -0.379 30.038 30.300 0.195 0.000 0.861 188 R HN 0.290 nan 8.270 nan 0.000 0.440 189 L N 0.179 121.256 121.223 -0.243 0.000 2.043 189 L HA -0.152 4.188 4.340 0.000 0.000 0.212 189 L C 2.183 178.891 176.870 -0.271 0.000 1.075 189 L CA 1.883 56.362 54.840 -0.601 0.000 0.752 189 L CB -0.634 41.085 42.059 -0.567 0.000 0.891 189 L HN 0.301 nan 8.230 nan 0.000 0.432 190 G N -1.047 107.671 108.800 -0.138 0.000 2.422 190 G HA2 -0.249 3.711 3.960 0.000 0.000 0.218 190 G HA3 -0.249 3.711 3.960 0.000 0.000 0.218 190 G C 1.316 176.184 174.900 -0.053 0.000 1.146 190 G CA 0.767 45.819 45.100 -0.080 0.000 0.769 190 G HN 0.498 nan 8.290 nan 0.000 0.547 191 E N -0.176 120.002 120.200 -0.038 0.000 2.072 191 E HA -0.059 4.292 4.350 0.000 0.000 0.191 191 E C 2.713 179.315 176.600 0.003 0.000 0.985 191 E CA 0.808 57.205 56.400 -0.006 0.000 0.801 191 E CB -0.066 29.642 29.700 0.013 0.000 0.750 191 E HN 0.285 nan 8.360 nan 0.000 0.452 192 V N 1.465 121.372 119.914 -0.013 0.000 2.358 192 V HA -0.262 3.858 4.120 0.000 0.000 0.246 192 V C 2.324 178.433 176.094 0.025 0.000 1.047 192 V CA 1.743 64.061 62.300 0.030 0.000 1.035 192 V CB -0.372 31.468 31.823 0.028 0.000 0.658 192 V HN 0.186 nan 8.190 nan 0.000 0.452 193 K N 0.115 120.496 120.400 -0.031 0.000 2.103 193 K HA -0.219 4.101 4.320 0.000 0.000 0.207 193 K C 2.240 178.835 176.600 -0.008 0.000 1.048 193 K CA 1.521 57.787 56.287 -0.034 0.000 0.930 193 K CB -0.095 32.362 32.500 -0.072 0.000 0.716 193 K HN 0.404 nan 8.250 nan 0.000 0.444 194 K N 0.061 120.459 120.400 -0.003 0.000 2.026 194 K HA -0.145 4.175 4.320 0.000 0.000 0.208 194 K C 2.224 178.843 176.600 0.031 0.000 1.048 194 K CA 1.465 57.759 56.287 0.011 0.000 0.929 194 K CB -0.087 32.418 32.500 0.009 0.000 0.713 194 K HN 0.136 nan 8.250 nan 0.000 0.439 195 R N 0.443 120.968 120.500 0.041 0.000 2.189 195 R HA 0.040 4.380 4.340 0.000 0.000 0.218 195 R C 2.196 178.525 176.300 0.048 0.000 1.074 195 R CA 0.653 56.784 56.100 0.052 0.000 0.991 195 R CB -0.070 30.275 30.300 0.075 0.000 0.883 195 R HN 0.205 nan 8.270 nan 0.000 0.457 196 I N 0.774 121.377 120.570 0.056 0.000 2.439 196 I HA -0.183 3.987 4.170 0.000 0.000 0.251 196 I C 1.198 177.373 176.117 0.096 0.000 1.139 196 I CA 0.624 61.941 61.300 0.028 0.000 1.438 196 I CB -0.075 37.952 38.000 0.044 0.000 1.085 196 I HN 0.050 nan 8.210 nan 0.000 0.427 197 N N 1.117 119.885 118.700 0.113 0.000 2.542 197 N HA 0.027 4.767 4.740 0.000 0.000 0.234 197 N C -0.842 174.894 175.510 0.377 0.000 1.257 197 N CA 0.211 53.396 53.050 0.225 0.000 0.883 197 N CB -0.155 38.371 38.487 0.064 0.000 1.197 197 N HN -0.074 nan 8.380 nan 0.000 0.488 198 V N 1.552 121.599 119.914 0.223 0.000 2.487 198 V HA 0.294 4.415 4.120 0.000 0.000 0.298 198 V C 0.012 175.786 176.094 -0.532 0.000 1.028 198 V CA -1.184 61.084 62.300 -0.053 0.000 0.860 198 V CB 1.821 33.600 31.823 -0.073 0.000 0.991 198 V HN 0.108 nan 8.190 nan 0.000 0.427 199 L N 9.014 129.746 121.223 -0.819 0.000 2.418 199 L HA 0.394 4.734 4.340 0.000 0.000 0.274 199 L C -1.483 175.044 176.870 -0.573 0.000 1.135 199 L CA -0.339 53.798 54.840 -1.173 0.000 0.870 199 L CB 1.084 42.690 42.059 -0.755 0.000 1.154 199 L HN 0.442 nan 8.230 nan 0.000 0.462 200 P HA 0.021 nan 4.420 nan 0.000 0.252 200 P C 0.202 177.384 177.300 -0.196 0.000 1.211 200 P CA -0.229 62.707 63.100 -0.272 0.000 0.824 200 P CB 0.286 31.844 31.700 -0.237 0.000 1.077 201 L N 1.516 122.614 121.223 -0.207 0.000 2.540 201 L HA 0.309 4.649 4.340 0.000 0.000 0.276 201 L C 1.285 178.115 176.870 -0.067 0.000 1.212 201 L CA 1.962 56.730 54.840 -0.120 0.000 0.893 201 L CB -0.979 41.041 42.059 -0.064 0.000 1.138 201 L HN 0.422 nan 8.230 nan 0.000 0.491 202 G N 2.353 111.127 108.800 -0.044 0.000 2.134 202 G HA2 -0.242 3.718 3.960 0.000 0.000 0.209 202 G HA3 -0.242 3.718 3.960 0.000 0.000 0.209 202 G C 0.768 175.651 174.900 -0.027 0.000 0.993 202 G CA 0.281 45.389 45.100 0.013 0.000 0.669 202 G HN 0.685 nan 8.290 nan 0.000 0.519 203 S N -0.097 115.566 115.700 -0.061 0.000 2.517 203 S HA 0.472 4.942 4.470 0.000 0.000 0.214 203 S C 1.862 176.425 174.600 -0.061 0.000 0.991 203 S CA 1.232 59.398 58.200 -0.057 0.000 0.906 203 S CB 0.251 63.413 63.200 -0.063 0.000 0.789 203 S HN 2.237 nan 8.310 nan 0.000 0.513 204 G N 1.654 110.404 108.800 -0.083 0.000 2.601 204 G HA2 -0.174 3.786 3.960 0.000 0.000 0.252 204 G HA3 -0.174 3.786 3.960 0.000 0.000 0.252 204 G C 0.803 175.636 174.900 -0.112 0.000 1.294 204 G CA -0.114 44.926 45.100 -0.099 0.000 0.912 204 G HN 0.647 nan 8.290 nan 0.000 0.574 205 A N -1.495 121.261 122.820 -0.106 0.000 2.016 205 A HA 0.580 4.900 4.320 0.000 0.000 0.217 205 A C 2.130 179.674 177.584 -0.068 0.000 1.162 205 A CA 2.522 54.491 52.037 -0.113 0.000 0.662 205 A CB -0.014 18.924 19.000 -0.103 0.000 0.812 205 A HN 1.789 nan 8.150 nan 0.000 0.450 206 L N -4.588 116.611 121.223 -0.041 0.000 1.645 206 L HA 0.292 4.632 4.340 0.000 0.000 0.177 206 L C 1.634 178.498 176.870 -0.010 0.000 1.266 206 L CA 0.858 55.692 54.840 -0.011 0.000 1.244 206 L CB -0.560 41.501 42.059 0.003 0.000 2.568 206 L HN 0.093 nan 8.230 nan 0.000 0.502 207 A N 0.654 123.464 122.820 -0.016 0.000 2.275 207 A HA 0.618 4.938 4.320 0.000 0.000 0.212 207 A C 0.961 178.535 177.584 -0.016 0.000 1.201 207 A CA 0.817 52.846 52.037 -0.013 0.000 0.843 207 A CB -0.353 18.641 19.000 -0.011 0.000 0.873 207 A HN 0.861 nan 8.150 nan 0.000 0.492 208 G N -0.516 108.270 108.800 -0.023 0.000 2.408 208 G HA2 -0.072 3.888 3.960 0.000 0.000 0.682 208 G HA3 -0.072 3.888 3.960 0.000 0.000 0.682 208 G C -0.740 174.146 174.900 -0.023 0.000 1.303 208 G CA -0.350 44.736 45.100 -0.023 0.000 0.966 208 G HN 0.429 nan 8.290 nan 0.000 0.560 209 N N 1.162 119.855 118.700 -0.011 0.000 2.497 209 N HA 0.344 5.084 4.740 0.000 0.000 0.271 209 N C -0.843 174.668 175.510 0.002 0.000 1.142 209 N CA -0.829 52.225 53.050 0.006 0.000 0.965 209 N CB 1.629 40.141 38.487 0.041 0.000 1.077 209 N HN 0.354 nan 8.380 nan 0.000 0.462 210 P HA 0.113 nan 4.420 nan 0.000 0.255 210 P C 0.424 177.723 177.300 -0.003 0.000 1.248 210 P CA 0.461 63.558 63.100 -0.005 0.000 0.807 210 P CB 0.364 32.058 31.700 -0.011 0.000 1.150 211 L N -0.405 120.819 121.223 0.002 0.000 2.965 211 L HA 0.285 4.625 4.340 0.000 0.000 0.254 211 L C 0.224 177.084 176.870 -0.015 0.000 1.220 211 L CA -0.238 54.597 54.840 -0.008 0.000 1.023 211 L CB -0.723 41.330 42.059 -0.010 0.000 1.355 211 L HN -0.118 nan 8.230 nan 0.000 0.545 212 D N 1.271 121.664 120.400 -0.011 0.000 2.751 212 D HA -0.243 4.397 4.640 0.000 0.000 0.233 212 D C 0.222 176.509 176.300 -0.022 0.000 1.149 212 D CA 0.427 54.418 54.000 -0.014 0.000 0.682 212 D CB -0.615 40.176 40.800 -0.016 0.000 1.068 212 D HN 0.217 nan 8.370 nan 0.000 0.429 213 I N 0.835 121.393 120.570 -0.020 0.000 2.872 213 I HA -0.007 4.163 4.170 0.000 0.000 0.291 213 I C 0.541 176.642 176.117 -0.028 0.000 1.216 213 I CA 0.239 61.515 61.300 -0.039 0.000 1.424 213 I CB 0.540 38.533 38.000 -0.011 0.000 1.351 213 I HN 0.059 nan 8.210 nan 0.000 0.592 214 D N 6.984 127.360 120.400 -0.040 0.000 2.435 214 D HA 0.098 4.738 4.640 0.000 0.000 0.230 214 D C 1.059 177.351 176.300 -0.013 0.000 1.215 214 D CA 0.119 54.103 54.000 -0.026 0.000 0.947 214 D CB 0.322 41.104 40.800 -0.030 0.000 1.048 214 D HN 0.484 nan 8.370 nan 0.000 0.512 215 R N 2.174 122.669 120.500 -0.007 0.000 2.148 215 R HA -0.136 4.204 4.340 0.000 0.000 0.227 215 R C 1.541 177.840 176.300 -0.002 0.000 1.103 215 R CA 0.786 56.884 56.100 -0.003 0.000 0.983 215 R CB 0.150 30.441 30.300 -0.015 0.000 0.874 215 R HN 0.340 nan 8.270 nan 0.000 0.451 216 E N 1.553 121.752 120.200 -0.002 0.000 2.106 216 E HA -0.180 4.170 4.350 0.000 0.000 0.192 216 E C 1.887 178.495 176.600 0.014 0.000 0.984 216 E CA 1.232 57.635 56.400 0.004 0.000 0.806 216 E CB -0.125 29.575 29.700 0.001 0.000 0.750 216 E HN 0.241 nan 8.360 nan 0.000 0.458 217 M N -0.283 119.321 119.600 0.008 0.000 2.175 217 M HA -0.097 4.383 4.480 0.000 0.000 0.264 217 M C 1.774 178.092 176.300 0.029 0.000 1.063 217 M CA 1.314 56.621 55.300 0.011 0.000 1.119 217 M CB -0.032 32.565 32.600 -0.004 0.000 1.377 217 M HN 0.232 nan 8.290 nan 0.000 0.415 218 L N -0.370 120.874 121.223 0.035 0.000 2.046 218 L HA -0.212 4.128 4.340 0.000 0.000 0.208 218 L C 2.805 179.733 176.870 0.096 0.000 1.077 218 L CA 1.369 56.250 54.840 0.067 0.000 0.747 218 L CB -0.865 41.236 42.059 0.070 0.000 0.896 218 L HN 0.404 nan 8.230 nan 0.000 0.432 219 R N -0.242 120.302 120.500 0.075 0.000 2.073 219 R HA -0.189 4.151 4.340 0.000 0.000 0.234 219 R C 2.543 178.920 176.300 0.128 0.000 1.134 219 R CA 1.904 58.077 56.100 0.122 0.000 0.952 219 R CB -0.283 30.058 30.300 0.068 0.000 0.850 219 R HN 0.213 nan 8.270 nan 0.000 0.433 220 S N 0.322 116.066 115.700 0.073 0.000 2.356 220 S HA -0.133 4.337 4.470 0.000 0.000 0.223 220 S C 1.745 176.375 174.600 0.050 0.000 1.032 220 S CA 1.247 59.478 58.200 0.051 0.000 1.005 220 S CB -0.152 63.066 63.200 0.031 0.000 0.867 220 S HN 0.362 nan 8.310 nan 0.000 0.449 221 E N 0.940 121.173 120.200 0.056 0.000 2.085 221 E HA -0.068 4.282 4.350 0.000 0.000 0.194 221 E C 1.966 178.599 176.600 0.056 0.000 0.994 221 E CA 1.006 57.436 56.400 0.050 0.000 0.801 221 E CB -0.415 29.318 29.700 0.056 0.000 0.743 221 E HN 0.542 nan 8.360 nan 0.000 0.453 222 L N 0.288 121.573 121.223 0.103 0.000 2.599 222 L HA 0.030 4.370 4.340 0.000 0.000 0.230 222 L C 0.181 177.032 176.870 -0.031 0.000 1.141 222 L CA 0.196 55.091 54.840 0.092 0.000 0.877 222 L CB -0.244 41.981 42.059 0.276 0.000 1.009 222 L HN 0.089 nan 8.230 nan 0.000 0.447 223 E N -0.864 119.341 120.200 0.008 0.000 2.513 223 E HA -0.236 4.114 4.350 0.000 0.000 0.257 223 E C -0.196 176.347 176.600 -0.095 0.000 1.098 223 E CA 0.161 56.532 56.400 -0.049 0.000 0.752 223 E CB -1.504 28.137 29.700 -0.097 0.000 1.324 223 E HN 0.272 nan 8.360 nan 0.000 0.403 224 F N -0.359 119.577 119.950 -0.024 0.000 2.380 224 F HA 0.364 4.891 4.527 0.000 0.000 0.325 224 F C 1.637 177.421 175.800 -0.027 0.000 1.136 224 F CA 0.331 58.312 58.000 -0.032 0.000 1.171 224 F CB 0.765 39.744 39.000 -0.036 0.000 1.230 224 F HN 0.041 nan 8.300 nan 0.000 0.554 225 A N 1.040 123.972 122.820 0.187 0.000 1.970 225 A HA 0.145 4.465 4.320 0.000 0.000 0.216 225 A C 0.647 178.277 177.584 0.077 0.000 1.170 225 A CA 1.377 53.469 52.037 0.092 0.000 0.645 225 A CB -0.442 18.594 19.000 0.060 0.000 0.816 225 A HN 0.678 nan 8.150 nan 0.000 0.447 226 S N -1.905 113.844 115.700 0.082 0.000 2.727 226 S HA 0.634 5.104 4.470 0.000 0.000 0.278 226 S C -0.659 173.926 174.600 -0.025 0.000 1.186 226 S CA -0.270 57.945 58.200 0.025 0.000 0.836 226 S CB 0.478 63.685 63.200 0.011 0.000 1.186 226 S HN 0.951 nan 8.310 nan 0.000 0.499 227 I N -0.289 120.250 120.570 -0.051 0.000 2.693 227 I HA 0.768 4.938 4.170 0.000 0.000 0.303 227 I C 0.063 176.122 176.117 -0.096 0.000 1.025 227 I CA -0.874 60.363 61.300 -0.104 0.000 1.086 227 I CB 2.130 40.081 38.000 -0.082 0.000 1.268 227 I HN 0.828 nan 8.210 nan 0.000 0.440 228 S N 4.467 120.090 115.700 -0.128 0.000 2.560 228 S HA 0.222 4.692 4.470 0.000 0.000 0.284 228 S C 0.799 175.364 174.600 -0.059 0.000 1.327 228 S CA -0.584 57.559 58.200 -0.095 0.000 1.055 228 S CB 0.914 64.046 63.200 -0.113 0.000 0.868 228 S HN 0.716 nan 8.310 nan 0.000 0.506 229 L N 1.192 122.392 121.223 -0.039 0.000 2.209 229 L HA 0.176 4.516 4.340 0.000 0.000 0.207 229 L C 1.039 177.897 176.870 -0.020 0.000 1.094 229 L CA 0.688 55.513 54.840 -0.025 0.000 0.790 229 L CB -0.557 41.493 42.059 -0.015 0.000 0.932 229 L HN 0.780 nan 8.230 nan 0.000 0.447 230 N N -1.176 117.513 118.700 -0.019 0.000 2.430 230 N HA 0.068 4.808 4.740 0.000 0.000 0.290 230 N C 0.868 176.370 175.510 -0.014 0.000 1.063 230 N CA 0.082 53.124 53.050 -0.012 0.000 0.883 230 N CB 1.427 39.912 38.487 -0.004 0.000 1.465 230 N HN -0.017 nan 8.380 nan 0.000 0.493 231 S N 3.616 119.306 115.700 -0.016 0.000 2.383 231 S HA -0.243 4.227 4.470 0.000 0.000 0.229 231 S C 1.636 176.234 174.600 -0.004 0.000 1.030 231 S CA 1.021 59.210 58.200 -0.018 0.000 1.002 231 S CB -0.319 62.869 63.200 -0.020 0.000 0.829 231 S HN 0.684 nan 8.310 nan 0.000 0.467 232 M N 1.457 121.060 119.600 0.005 0.000 2.132 232 M HA -0.053 4.427 4.480 0.000 0.000 0.263 232 M C 2.275 178.592 176.300 0.029 0.000 1.065 232 M CA 2.010 57.321 55.300 0.019 0.000 1.122 232 M CB -0.581 32.029 32.600 0.017 0.000 1.365 232 M HN 0.436 nan 8.290 nan 0.000 0.411 233 D N 0.453 120.866 120.400 0.021 0.000 2.097 233 D HA -0.118 4.522 4.640 0.000 0.000 0.197 233 D C 1.895 178.220 176.300 0.040 0.000 0.984 233 D CA 1.747 55.765 54.000 0.030 0.000 0.826 233 D CB 0.072 40.885 40.800 0.022 0.000 0.973 233 D HN 0.247 nan 8.370 nan 0.000 0.460 234 A N 0.356 123.187 122.820 0.017 0.000 1.940 234 A HA -0.135 4.185 4.320 0.000 0.000 0.219 234 A C 2.257 179.862 177.584 0.036 0.000 1.176 234 A CA 1.197 53.237 52.037 0.005 0.000 0.631 234 A CB -0.667 18.308 19.000 -0.042 0.000 0.814 234 A HN 0.384 nan 8.150 nan 0.000 0.446 235 I N 0.353 120.948 120.570 0.042 0.000 2.353 235 I HA -0.119 4.051 4.170 0.000 0.000 0.248 235 I C 2.549 178.756 176.117 0.150 0.000 1.119 235 I CA 2.043 63.389 61.300 0.077 0.000 1.417 235 I CB -0.991 37.045 38.000 0.060 0.000 1.078 235 I HN 0.533 nan 8.210 nan 0.000 0.421 236 S N 0.009 115.781 115.700 0.119 0.000 2.502 236 S HA 0.037 4.507 4.470 0.000 0.000 0.215 236 S C 0.616 175.264 174.600 0.081 0.000 1.009 236 S CA -0.494 57.769 58.200 0.104 0.000 0.908 236 S CB -0.218 63.022 63.200 0.066 0.000 0.801 236 S HN 0.486 nan 8.310 nan 0.000 0.505 237 E N 1.262 121.525 120.200 0.106 0.000 2.343 237 E HA 0.445 4.795 4.350 0.000 0.000 0.269 237 E C 0.134 176.822 176.600 0.148 0.000 1.047 237 E CA -0.738 55.725 56.400 0.106 0.000 0.874 237 E CB 0.509 30.280 29.700 0.118 0.000 1.033 237 E HN -0.042 nan 8.360 nan 0.000 0.409 238 R N 2.328 122.839 120.500 0.019 0.000 2.668 238 R HA 0.126 4.466 4.340 0.000 0.000 0.435 238 R C -0.471 175.695 176.300 -0.224 0.000 1.059 238 R CA -0.214 55.755 56.100 -0.219 0.000 1.073 238 R CB 0.043 30.190 30.300 -0.256 0.000 1.401 238 R HN 0.633 nan 8.270 nan 0.000 0.590 239 D N 0.678 121.085 120.400 0.011 0.000 2.149 239 D HA -0.193 4.447 4.640 0.000 0.000 0.198 239 D C 1.608 177.953 176.300 0.074 0.000 0.990 239 D CA 1.396 55.427 54.000 0.053 0.000 0.839 239 D CB -0.211 40.661 40.800 0.121 0.000 0.948 239 D HN 0.380 nan 8.370 nan 0.000 0.460 240 F N -0.481 119.510 119.950 0.068 0.000 2.269 240 F HA -0.083 4.445 4.527 0.000 0.000 0.301 240 F C 1.952 177.835 175.800 0.139 0.000 1.082 240 F CA 0.465 58.520 58.000 0.091 0.000 1.360 240 F CB -0.814 38.229 39.000 0.072 0.000 1.041 240 F HN -0.160 nan 8.300 nan 0.000 0.512 241 V N 0.564 120.136 119.914 -0.571 0.000 2.346 241 V HA -0.192 3.928 4.120 0.000 0.000 0.244 241 V C 2.555 178.636 176.094 -0.021 0.000 1.037 241 V CA 1.455 63.579 62.300 -0.293 0.000 1.029 241 V CB -0.497 31.039 31.823 -0.478 0.000 0.663 241 V HN 0.335 nan 8.190 nan 0.000 0.454 242 V N 0.067 119.939 119.914 -0.070 0.000 2.287 242 V HA -0.301 3.819 4.120 0.000 0.000 0.248 242 V C 2.501 178.626 176.094 0.053 0.000 1.053 242 V CA 2.211 64.503 62.300 -0.013 0.000 1.027 242 V CB -0.703 31.106 31.823 -0.024 0.000 0.646 242 V HN 0.608 nan 8.190 nan 0.000 0.447 243 E N -0.622 119.636 120.200 0.098 0.000 2.070 243 E HA -0.276 4.074 4.350 0.000 0.000 0.197 243 E C 2.091 178.825 176.600 0.224 0.000 1.004 243 E CA 1.863 58.351 56.400 0.147 0.000 0.805 243 E CB -0.302 29.500 29.700 0.171 0.000 0.744 243 E HN 0.636 nan 8.360 nan 0.000 0.451 244 F N 1.647 121.680 119.950 0.138 0.000 2.102 244 F HA -0.159 4.368 4.527 0.000 0.000 0.298 244 F C 2.005 177.952 175.800 0.246 0.000 1.105 244 F CA 1.242 59.378 58.000 0.227 0.000 1.239 244 F CB -0.330 38.778 39.000 0.180 0.000 0.991 244 F HN -0.100 nan 8.300 nan 0.000 0.474 245 L N -0.515 120.660 121.223 -0.080 0.000 2.083 245 L HA -0.211 4.130 4.340 0.000 0.000 0.209 245 L C 2.477 179.252 176.870 -0.159 0.000 1.083 245 L CA 1.393 56.105 54.840 -0.213 0.000 0.752 245 L CB -0.925 41.090 42.059 -0.075 0.000 0.899 245 L HN 0.115 nan 8.230 nan 0.000 0.433 246 S N -0.014 115.660 115.700 -0.044 0.000 2.371 246 S HA -0.163 4.307 4.470 0.000 0.000 0.224 246 S C 1.762 176.330 174.600 -0.054 0.000 1.029 246 S CA 1.180 59.365 58.200 -0.026 0.000 0.978 246 S CB -0.394 62.822 63.200 0.027 0.000 0.833 246 S HN 0.453 nan 8.310 nan 0.000 0.466 247 F N 3.060 122.943 119.950 -0.112 0.000 2.102 247 F HA -0.071 4.456 4.527 0.000 0.000 0.298 247 F C 2.252 177.950 175.800 -0.170 0.000 1.105 247 F CA 1.107 59.045 58.000 -0.103 0.000 1.239 247 F CB -0.858 38.116 39.000 -0.042 0.000 0.991 247 F HN 0.158 nan 8.300 nan 0.000 0.474 248 A N -0.104 122.195 122.820 -0.868 0.000 1.930 248 A HA -0.113 4.207 4.320 0.000 0.000 0.217 248 A C 2.173 179.425 177.584 -0.553 0.000 1.175 248 A CA 2.123 53.596 52.037 -0.940 0.000 0.627 248 A CB -1.448 17.097 19.000 -0.757 0.000 0.815 248 A HN 0.500 nan 8.150 nan 0.000 0.443 249 T N 0.032 114.369 114.554 -0.362 0.000 2.737 249 T HA -0.035 4.315 4.350 0.000 0.000 0.265 249 T C 1.833 176.370 174.700 -0.272 0.000 1.038 249 T CA 1.152 63.122 62.100 -0.217 0.000 1.144 249 T CB -0.297 68.531 68.868 -0.068 0.000 0.866 249 T HN 0.337 nan 8.240 nan 0.000 0.434 250 L N 0.766 121.803 121.223 -0.311 0.000 2.083 250 L HA -0.041 4.299 4.340 0.000 0.000 0.209 250 L C 2.355 178.888 176.870 -0.561 0.000 1.083 250 L CA 1.018 55.623 54.840 -0.391 0.000 0.752 250 L CB -0.307 41.570 42.059 -0.303 0.000 0.899 250 L HN 0.255 nan 8.230 nan 0.000 0.433 251 L N -0.484 120.447 121.223 -0.487 0.000 2.046 251 L HA -0.235 4.105 4.340 0.000 0.000 0.208 251 L C 2.394 179.113 176.870 -0.253 0.000 1.077 251 L CA 1.835 56.458 54.840 -0.362 0.000 0.747 251 L CB -0.463 41.291 42.059 -0.508 0.000 0.896 251 L HN 0.181 nan 8.230 nan 0.000 0.432 252 M N -0.699 118.740 119.600 -0.269 0.000 2.229 252 M HA -0.141 4.339 4.480 0.000 0.000 0.264 252 M C 2.262 178.474 176.300 -0.147 0.000 1.063 252 M CA 1.200 56.397 55.300 -0.172 0.000 1.114 252 M CB -1.013 31.497 32.600 -0.150 0.000 1.387 252 M HN 0.258 nan 8.290 nan 0.000 0.420 253 I N -0.504 119.942 120.570 -0.207 0.000 2.163 253 I HA -0.304 3.866 4.170 0.000 0.000 0.243 253 I C 2.297 178.375 176.117 -0.065 0.000 1.085 253 I CA 1.677 62.875 61.300 -0.170 0.000 1.347 253 I CB -1.522 36.335 38.000 -0.239 0.000 1.044 253 I HN 0.417 nan 8.210 nan 0.000 0.408 254 H N 0.355 119.375 119.070 -0.082 0.000 2.319 254 H HA -0.146 4.410 4.556 0.000 0.000 0.299 254 H C 2.385 177.675 175.328 -0.064 0.000 1.092 254 H CA 1.009 57.026 56.048 -0.052 0.000 1.302 254 H CB -0.041 29.692 29.762 -0.050 0.000 1.373 254 H HN 0.225 nan 8.280 nan 0.000 0.497 255 L N 0.503 121.747 121.223 0.035 0.000 2.201 255 L HA -0.153 4.187 4.340 0.000 0.000 0.212 255 L C 2.700 179.529 176.870 -0.070 0.000 1.105 255 L CA 1.103 55.914 54.840 -0.049 0.000 0.775 255 L CB -0.349 41.672 42.059 -0.063 0.000 0.913 255 L HN 0.378 nan 8.230 nan 0.000 0.440 256 S N -0.318 115.349 115.700 -0.055 0.000 2.406 256 S HA -0.208 4.262 4.470 0.000 0.000 0.228 256 S C 1.999 176.566 174.600 -0.054 0.000 1.020 256 S CA 0.942 59.105 58.200 -0.061 0.000 0.965 256 S CB -0.142 63.019 63.200 -0.065 0.000 0.798 256 S HN 0.404 nan 8.310 nan 0.000 0.488 257 K N 0.746 121.133 120.400 -0.021 0.000 2.031 257 K HA 0.057 4.377 4.320 0.000 0.000 0.205 257 K C 2.385 178.973 176.600 -0.020 0.000 1.049 257 K CA 1.176 57.470 56.287 0.012 0.000 0.939 257 K CB -0.319 32.233 32.500 0.087 0.000 0.717 257 K HN 0.460 nan 8.250 nan 0.000 0.438 258 M N 0.494 120.016 119.600 -0.131 0.000 2.159 258 M HA -0.145 4.335 4.480 0.000 0.000 0.263 258 M C 2.022 178.186 176.300 -0.227 0.000 1.063 258 M CA 1.740 56.783 55.300 -0.428 0.000 1.110 258 M CB -0.106 32.102 32.600 -0.654 0.000 1.374 258 M HN 0.305 nan 8.290 nan 0.000 0.411 259 A N -0.092 122.634 122.820 -0.156 0.000 1.877 259 A HA -0.232 4.088 4.320 0.000 0.000 0.216 259 A C 1.821 179.330 177.584 -0.125 0.000 1.186 259 A CA 2.097 54.062 52.037 -0.120 0.000 0.620 259 A CB -0.854 18.091 19.000 -0.092 0.000 0.822 259 A HN 0.629 nan 8.150 nan 0.000 0.443 260 E N 0.556 120.685 120.200 -0.119 0.000 2.058 260 E HA -0.223 4.127 4.350 0.000 0.000 0.194 260 E C 1.449 177.913 176.600 -0.227 0.000 0.997 260 E CA 1.842 58.158 56.400 -0.139 0.000 0.801 260 E CB -0.253 29.386 29.700 -0.103 0.000 0.746 260 E HN 0.549 nan 8.360 nan 0.000 0.450 261 D N -0.280 119.983 120.400 -0.229 0.000 2.092 261 D HA -0.162 4.478 4.640 0.000 0.000 0.193 261 D C 1.843 177.753 176.300 -0.651 0.000 0.994 261 D CA 1.013 54.736 54.000 -0.461 0.000 0.828 261 D CB -0.268 40.468 40.800 -0.107 0.000 0.963 261 D HN 0.199 nan 8.370 nan 0.000 0.450 262 L N 0.732 121.788 121.223 -0.279 0.000 2.141 262 L HA -0.056 4.284 4.340 0.000 0.000 0.209 262 L C 2.411 179.210 176.870 -0.119 0.000 1.094 262 L CA 0.833 55.603 54.840 -0.117 0.000 0.763 262 L CB -0.743 41.317 42.059 0.001 0.000 0.908 262 L HN 0.093 nan 8.230 nan 0.000 0.437 263 I N -1.129 119.344 120.570 -0.162 0.000 2.202 263 I HA -0.308 3.862 4.170 0.000 0.000 0.242 263 I C 2.350 178.345 176.117 -0.203 0.000 1.091 263 I CA 1.214 62.432 61.300 -0.136 0.000 1.368 263 I CB -0.149 37.778 38.000 -0.123 0.000 1.058 263 I HN 0.144 nan 8.210 nan 0.000 0.410 264 I N -0.268 120.096 120.570 -0.343 0.000 2.179 264 I HA -0.314 3.856 4.170 0.000 0.000 0.242 264 I C 2.338 178.099 176.117 -0.594 0.000 1.088 264 I CA 1.365 62.332 61.300 -0.554 0.000 1.357 264 I CB -0.439 37.121 38.000 -0.733 0.000 1.051 264 I HN 0.184 nan 8.210 nan 0.000 0.409 265 Y N 0.713 120.707 120.300 -0.509 0.000 2.403 265 Y HA -0.147 4.403 4.550 0.000 0.000 0.291 265 Y C 2.864 178.677 175.900 -0.144 0.000 1.143 265 Y CA 0.890 58.812 58.100 -0.297 0.000 1.257 265 Y CB -1.217 37.257 38.460 0.024 0.000 0.984 265 Y HN 0.299 nan 8.280 nan 0.000 0.550 266 S N -0.996 114.719 115.700 0.025 0.000 2.593 266 S HA 0.007 4.477 4.470 0.000 0.000 0.217 266 S C 0.925 175.522 174.600 -0.004 0.000 0.966 266 S CA 0.005 58.222 58.200 0.028 0.000 0.914 266 S CB -1.085 62.131 63.200 0.027 0.000 0.776 266 S HN 0.371 nan 8.310 nan 0.000 0.523 267 T N 0.877 115.409 114.554 -0.038 0.000 2.900 267 T HA 0.267 4.617 4.350 0.000 0.000 0.307 267 T C 1.391 176.102 174.700 0.017 0.000 1.065 267 T CA 0.064 62.159 62.100 -0.009 0.000 1.105 267 T CB 1.095 69.967 68.868 0.006 0.000 0.979 267 T HN 0.353 nan 8.240 nan 0.000 0.544 268 S N 0.650 116.358 115.700 0.014 0.000 2.423 268 S HA -0.127 4.343 4.470 0.000 0.000 0.231 268 S C 1.557 176.155 174.600 -0.002 0.000 1.014 268 S CA 0.787 58.990 58.200 0.005 0.000 0.965 268 S CB -0.557 62.644 63.200 0.001 0.000 0.785 268 S HN 0.797 nan 8.310 nan 0.000 0.495 269 E N 0.882 121.098 120.200 0.026 0.000 2.072 269 E HA 0.062 4.412 4.350 0.000 0.000 0.191 269 E C 1.426 177.967 176.600 -0.098 0.000 0.985 269 E CA 1.234 57.633 56.400 -0.002 0.000 0.801 269 E CB -0.374 29.361 29.700 0.060 0.000 0.750 269 E HN 0.622 nan 8.360 nan 0.000 0.452 270 F N -0.716 119.051 119.950 -0.304 0.000 2.179 270 F HA 0.204 4.731 4.527 0.000 0.000 0.292 270 F C 1.944 177.373 175.800 -0.618 0.000 1.089 270 F CA 1.123 58.733 58.000 -0.650 0.000 1.295 270 F CB -0.464 38.035 39.000 -0.834 0.000 1.041 270 F HN 0.148 nan 8.300 nan 0.000 0.487 271 G N -0.428 108.293 108.800 -0.132 0.000 2.203 271 G HA2 -0.321 3.639 3.960 0.000 0.000 0.263 271 G HA3 -0.321 3.639 3.960 0.000 0.000 0.263 271 G C 0.857 175.818 174.900 0.101 0.000 1.012 271 G CA 0.526 45.610 45.100 -0.027 0.000 0.749 271 G HN 0.239 nan 8.290 nan 0.000 0.512 272 F N -0.530 119.413 119.950 -0.012 0.000 2.293 272 F HA 0.380 4.908 4.527 0.000 0.000 0.297 272 F C 1.540 177.245 175.800 -0.160 0.000 1.089 272 F CA 0.958 58.874 58.000 -0.141 0.000 1.377 272 F CB -0.393 38.457 39.000 -0.249 0.000 1.051 272 F HN 0.469 nan 8.300 nan 0.000 0.511 273 L N -4.012 117.287 121.223 0.127 0.000 2.720 273 L HA 0.791 5.131 4.340 0.000 0.000 0.261 273 L C -0.850 176.062 176.870 0.070 0.000 1.046 273 L CA -0.761 54.115 54.840 0.061 0.000 0.886 273 L CB 1.943 44.047 42.059 0.076 0.000 1.493 273 L HN -0.367 nan 8.230 nan 0.000 0.407 274 T N 1.284 115.876 114.554 0.062 0.000 2.921 274 T HA 0.645 4.995 4.350 0.000 0.000 0.297 274 T C -0.424 174.323 174.700 0.078 0.000 1.013 274 T CA -0.508 61.629 62.100 0.061 0.000 0.990 274 T CB 1.437 70.332 68.868 0.045 0.000 1.023 274 T HN 0.624 nan 8.240 nan 0.000 0.447 275 L N 2.449 123.723 121.223 0.085 0.000 2.453 275 L HA 0.434 4.775 4.340 0.000 0.000 0.261 275 L C 1.347 178.290 176.870 0.122 0.000 1.179 275 L CA -0.683 54.227 54.840 0.116 0.000 0.813 275 L CB 0.727 42.861 42.059 0.125 0.000 1.110 275 L HN 0.792 nan 8.230 nan 0.000 0.466 276 S N -0.470 115.333 115.700 0.173 0.000 2.600 276 S HA 0.040 4.510 4.470 0.000 0.000 0.265 276 S C 0.562 175.215 174.600 0.089 0.000 1.325 276 S CA -0.680 57.602 58.200 0.137 0.000 1.002 276 S CB 1.001 64.312 63.200 0.185 0.000 0.921 276 S HN 0.579 nan 8.310 nan 0.000 0.554 277 D N 1.346 121.763 120.400 0.028 0.000 2.218 277 D HA -0.028 4.612 4.640 0.000 0.000 0.204 277 D C 2.091 178.339 176.300 -0.086 0.000 0.976 277 D CA 1.618 55.609 54.000 -0.015 0.000 0.853 277 D CB -0.765 40.021 40.800 -0.023 0.000 0.939 277 D HN 0.717 nan 8.370 nan 0.000 0.481 278 A N -0.371 122.341 122.820 -0.179 0.000 2.015 278 A HA -0.090 4.231 4.320 0.000 0.000 0.219 278 A C 1.358 178.535 177.584 -0.678 0.000 1.163 278 A CA 0.773 52.526 52.037 -0.473 0.000 0.646 278 A CB -0.502 18.083 19.000 -0.691 0.000 0.806 278 A HN 0.228 nan 8.150 nan 0.000 0.448 279 F N -0.051 119.905 119.950 0.010 0.000 2.708 279 F HA 0.262 4.789 4.527 0.000 0.000 0.300 279 F C 0.867 176.670 175.800 0.005 0.000 1.118 279 F CA 0.302 58.307 58.000 0.007 0.000 1.307 279 F CB 0.433 39.439 39.000 0.011 0.000 0.986 279 F HN 0.204 nan 8.300 nan 0.000 0.522 280 S N -1.093 114.658 115.700 0.086 0.000 2.671 280 S HA 0.789 5.259 4.470 0.000 0.000 0.277 280 S C -0.495 174.117 174.600 0.020 0.000 1.165 280 S CA -0.660 57.577 58.200 0.062 0.000 0.822 280 S CB 2.014 65.253 63.200 0.066 0.000 1.150 280 S HN 0.011 nan 8.310 nan 0.000 0.479 281 T N -1.597 112.967 114.554 0.017 0.000 2.887 281 T HA 0.877 5.227 4.350 0.000 0.000 0.288 281 T C 0.164 174.868 174.700 0.005 0.000 1.021 281 T CA -0.413 61.689 62.100 0.004 0.000 1.000 281 T CB 1.242 70.112 68.868 0.003 0.000 1.034 281 T HN 1.329 nan 8.240 nan 0.000 0.467 282 G N 0.255 109.056 108.800 0.001 0.000 2.949 282 G HA2 0.682 4.643 3.960 0.000 0.000 0.285 282 G HA3 0.682 4.643 3.960 0.000 0.000 0.285 282 G C -1.399 173.501 174.900 -0.000 0.000 1.395 282 G CA -1.043 44.059 45.100 0.002 0.000 0.901 282 G HN 0.859 nan 8.290 nan 0.000 0.519 283 S N -0.918 114.782 115.700 0.000 0.000 2.575 283 S HA 0.375 4.845 4.470 0.000 0.000 0.278 283 S C 1.005 175.605 174.600 -0.000 0.000 1.139 283 S CA 0.013 58.213 58.200 -0.001 0.000 0.954 283 S CB 1.816 65.016 63.200 -0.000 0.000 1.054 283 S HN 1.152 nan 8.310 nan 0.000 0.483 284 S N 2.310 118.009 115.700 -0.001 0.000 2.440 284 S HA -0.105 4.366 4.470 0.000 0.000 0.238 284 S C 1.495 176.094 174.600 -0.000 0.000 1.010 284 S CA 0.910 59.109 58.200 -0.001 0.000 0.972 284 S CB -0.341 62.858 63.200 -0.001 0.000 0.774 284 S HN 0.501 nan 8.310 nan 0.000 0.501 285 L N 0.334 121.557 121.223 -0.000 0.000 2.291 285 L HA 0.349 4.689 4.340 0.000 0.000 0.214 285 L C 1.211 178.081 176.870 -0.000 0.000 1.120 285 L CA 1.351 56.191 54.840 -0.000 0.000 0.799 285 L CB -0.591 41.468 42.059 -0.001 0.000 0.925 285 L HN 0.440 nan 8.230 nan 0.000 0.446 286 M N -0.010 119.591 119.600 0.000 0.000 2.400 286 M HA 0.193 4.673 4.480 0.000 0.000 0.241 286 M C -1.689 174.612 176.300 0.002 0.000 1.158 286 M CA -0.891 54.410 55.300 0.001 0.000 0.613 286 M CB 1.713 34.313 32.600 0.001 0.000 1.615 286 M HN -0.188 nan 8.290 nan 0.000 0.371 287 P HA -0.199 nan 4.420 nan 0.000 0.220 287 P C 0.748 178.050 177.300 0.005 0.000 1.144 287 P CA 1.438 64.539 63.100 0.003 0.000 0.800 287 P CB 0.278 31.979 31.700 0.002 0.000 0.772 288 Q N -0.091 119.711 119.800 0.005 0.000 2.302 288 Q HA 0.016 4.356 4.340 0.000 0.000 0.202 288 Q C 1.210 177.215 176.000 0.008 0.000 0.936 288 Q CA 0.533 56.340 55.803 0.006 0.000 0.886 288 Q CB -0.219 28.522 28.738 0.004 0.000 0.986 288 Q HN 0.389 nan 8.270 nan 0.000 0.487 289 K N 1.849 122.253 120.400 0.006 0.000 2.349 289 K HA 0.101 4.421 4.320 0.000 0.000 0.288 289 K C -0.686 175.920 176.600 0.009 0.000 1.058 289 K CA 0.206 56.497 56.287 0.007 0.000 0.953 289 K CB 0.393 32.895 32.500 0.004 0.000 0.997 289 K HN -0.218 nan 8.250 nan 0.000 0.477 290 K N 4.090 124.497 120.400 0.012 0.000 2.413 290 K HA 0.199 4.519 4.320 0.000 0.000 0.257 290 K C -1.107 175.502 176.600 0.016 0.000 0.946 290 K CA -0.677 55.621 56.287 0.017 0.000 0.823 290 K CB 1.553 34.069 32.500 0.027 0.000 1.109 290 K HN 0.666 nan 8.250 nan 0.000 0.427 291 N N 4.237 122.946 118.700 0.015 0.000 2.422 291 N HA 0.114 4.854 4.740 0.000 0.000 0.264 291 N C -2.201 173.322 175.510 0.021 0.000 1.063 291 N CA -1.524 51.533 53.050 0.012 0.000 0.959 291 N CB 0.856 39.348 38.487 0.008 0.000 1.087 291 N HN 0.226 nan 8.380 nan 0.000 0.483 292 P HA -0.003 nan 4.420 nan 0.000 0.225 292 P C -0.209 177.108 177.300 0.027 0.000 1.768 292 P CA -0.084 63.032 63.100 0.028 0.000 0.943 292 P CB 0.013 31.717 31.700 0.008 0.000 1.936 293 D N 0.662 121.083 120.400 0.035 0.000 2.218 293 D HA -0.162 4.478 4.640 0.000 0.000 0.204 293 D C 1.386 177.713 176.300 0.044 0.000 0.976 293 D CA 1.273 55.291 54.000 0.031 0.000 0.853 293 D CB -0.595 40.221 40.800 0.026 0.000 0.939 293 D HN 0.285 nan 8.370 nan 0.000 0.481 294 S N 0.961 116.710 115.700 0.081 0.000 2.368 294 S HA -0.124 4.346 4.470 0.000 0.000 0.225 294 S C 2.401 177.019 174.600 0.031 0.000 1.030 294 S CA 0.667 58.926 58.200 0.099 0.000 0.999 294 S CB -0.917 62.403 63.200 0.200 0.000 0.844 294 S HN 0.328 nan 8.310 nan 0.000 0.459 295 L N 1.020 122.248 121.223 0.010 0.000 2.156 295 L HA 0.028 4.368 4.340 0.000 0.000 0.208 295 L C 2.892 179.745 176.870 -0.028 0.000 1.095 295 L CA 1.339 56.163 54.840 -0.026 0.000 0.770 295 L CB -0.589 41.448 42.059 -0.036 0.000 0.914 295 L HN 0.378 nan 8.230 nan 0.000 0.439 296 E N 0.305 120.496 120.200 -0.015 0.000 2.072 296 E HA -0.170 4.180 4.350 0.000 0.000 0.191 296 E C 2.381 178.973 176.600 -0.012 0.000 0.985 296 E CA 0.829 57.218 56.400 -0.017 0.000 0.801 296 E CB -0.019 29.675 29.700 -0.011 0.000 0.750 296 E HN 0.422 nan 8.360 nan 0.000 0.452 297 L N 0.788 122.010 121.223 -0.001 0.000 1.989 297 L HA -0.231 4.109 4.340 0.000 0.000 0.211 297 L C 2.496 179.361 176.870 -0.009 0.000 1.071 297 L CA 1.161 56.002 54.840 0.002 0.000 0.749 297 L CB -0.400 41.669 42.059 0.017 0.000 0.890 297 L HN 0.190 nan 8.230 nan 0.000 0.431 298 I N -0.523 120.037 120.570 -0.017 0.000 2.151 298 I HA -0.383 3.787 4.170 0.000 0.000 0.243 298 I C 2.842 178.935 176.117 -0.040 0.000 1.080 298 I CA 1.473 62.753 61.300 -0.033 0.000 1.339 298 I CB -0.406 37.563 38.000 -0.051 0.000 1.039 298 I HN 0.284 nan 8.210 nan 0.000 0.409 299 R N 1.073 121.547 120.500 -0.042 0.000 2.091 299 R HA -0.213 4.127 4.340 0.000 0.000 0.238 299 R C 2.530 178.809 176.300 -0.036 0.000 1.136 299 R CA 2.179 58.251 56.100 -0.046 0.000 0.959 299 R CB -0.263 30.009 30.300 -0.048 0.000 0.856 299 R HN 0.495 nan 8.270 nan 0.000 0.437 300 S N 0.270 115.955 115.700 -0.025 0.000 2.402 300 S HA -0.065 4.405 4.470 0.000 0.000 0.229 300 S C 1.600 176.194 174.600 -0.010 0.000 1.021 300 S CA 0.747 58.938 58.200 -0.015 0.000 0.974 300 S CB -0.051 63.144 63.200 -0.008 0.000 0.800 300 S HN 0.234 nan 8.310 nan 0.000 0.484 301 K N 1.815 122.206 120.400 -0.015 0.000 2.362 301 K HA 0.218 4.538 4.320 0.000 0.000 0.200 301 K C 2.272 178.860 176.600 -0.019 0.000 1.046 301 K CA 0.981 57.260 56.287 -0.014 0.000 0.952 301 K CB -1.024 31.466 32.500 -0.017 0.000 0.753 301 K HN 0.551 nan 8.250 nan 0.000 0.466 302 A N 1.099 123.902 122.820 -0.029 0.000 1.902 302 A HA -0.078 4.242 4.320 0.000 0.000 0.217 302 A C 2.486 180.084 177.584 0.024 0.000 1.181 302 A CA 2.009 54.025 52.037 -0.035 0.000 0.623 302 A CB -1.012 17.950 19.000 -0.064 0.000 0.818 302 A HN 0.359 nan 8.150 nan 0.000 0.443 303 G N -0.785 108.037 108.800 0.035 0.000 2.418 303 G HA2 -0.241 3.719 3.960 0.000 0.000 0.217 303 G HA3 -0.241 3.719 3.960 0.000 0.000 0.217 303 G C 1.740 176.699 174.900 0.098 0.000 1.158 303 G CA 0.986 46.149 45.100 0.105 0.000 0.771 303 G HN 0.548 nan 8.290 nan 0.000 0.545 304 R N -0.092 120.431 120.500 0.038 0.000 2.073 304 R HA -0.047 4.293 4.340 0.000 0.000 0.234 304 R C 2.584 178.883 176.300 -0.001 0.000 1.134 304 R CA 1.603 57.709 56.100 0.011 0.000 0.952 304 R CB -0.388 29.915 30.300 0.004 0.000 0.850 304 R HN 0.267 nan 8.270 nan 0.000 0.433 305 V N 0.860 120.777 119.914 0.004 0.000 2.358 305 V HA -0.214 3.906 4.120 0.000 0.000 0.246 305 V C 2.056 178.149 176.094 -0.002 0.000 1.047 305 V CA 1.718 64.004 62.300 -0.025 0.000 1.035 305 V CB -0.713 31.071 31.823 -0.066 0.000 0.658 305 V HN 0.338 nan 8.190 nan 0.000 0.452 306 F N 2.426 122.316 119.950 -0.099 0.000 2.120 306 F HA -0.115 4.412 4.527 0.000 0.000 0.300 306 F C 2.133 177.889 175.800 -0.073 0.000 1.095 306 F CA 1.612 59.556 58.000 -0.092 0.000 1.249 306 F CB -1.047 37.904 39.000 -0.082 0.000 0.995 306 F HN 0.139 nan 8.300 nan 0.000 0.480 307 G N 0.657 109.296 108.800 -0.268 0.000 2.442 307 G HA2 -0.249 3.711 3.960 0.000 0.000 0.219 307 G HA3 -0.249 3.711 3.960 0.000 0.000 0.219 307 G C 1.825 176.551 174.900 -0.290 0.000 1.141 307 G CA 0.628 45.515 45.100 -0.354 0.000 0.763 307 G HN 0.220 nan 8.290 nan 0.000 0.554 308 R N -0.229 120.159 120.500 -0.187 0.000 2.075 308 R HA 0.051 4.391 4.340 0.000 0.000 0.232 308 R C 2.470 178.668 176.300 -0.169 0.000 1.126 308 R CA 0.808 56.821 56.100 -0.145 0.000 0.963 308 R CB -1.277 28.974 30.300 -0.082 0.000 0.858 308 R HN 0.465 nan 8.270 nan 0.000 0.435 309 L N 0.953 122.063 121.223 -0.188 0.000 2.017 309 L HA -0.062 4.278 4.340 0.000 0.000 0.208 309 L C 2.195 178.934 176.870 -0.217 0.000 1.073 309 L CA 2.203 56.947 54.840 -0.159 0.000 0.745 309 L CB -0.857 41.149 42.059 -0.088 0.000 0.894 309 L HN 0.149 nan 8.230 nan 0.000 0.432 310 A N -0.628 121.950 122.820 -0.403 0.000 1.908 310 A HA -0.236 4.084 4.320 0.000 0.000 0.218 310 A C 2.503 179.946 177.584 -0.235 0.000 1.181 310 A CA 2.320 54.127 52.037 -0.382 0.000 0.627 310 A CB -1.236 17.378 19.000 -0.643 0.000 0.818 310 A HN 0.720 nan 8.150 nan 0.000 0.445 311 S N 0.107 115.673 115.700 -0.223 0.000 2.356 311 S HA -0.140 4.331 4.470 0.000 0.000 0.223 311 S C 1.806 176.328 174.600 -0.129 0.000 1.032 311 S CA 1.496 59.602 58.200 -0.158 0.000 1.005 311 S CB -0.582 62.530 63.200 -0.146 0.000 0.867 311 S HN 0.333 nan 8.310 nan 0.000 0.449 312 I N 2.193 122.687 120.570 -0.127 0.000 2.315 312 I HA -0.035 4.135 4.170 0.000 0.000 0.248 312 I C 2.513 178.571 176.117 -0.097 0.000 1.117 312 I CA 0.818 62.052 61.300 -0.111 0.000 1.404 312 I CB -1.565 36.369 38.000 -0.110 0.000 1.071 312 I HN 0.319 nan 8.210 nan 0.000 0.419 313 L N -0.209 120.958 121.223 -0.094 0.000 2.046 313 L HA -0.232 4.108 4.340 0.000 0.000 0.208 313 L C 2.703 179.532 176.870 -0.069 0.000 1.077 313 L CA 1.488 56.285 54.840 -0.072 0.000 0.747 313 L CB -0.437 41.584 42.059 -0.063 0.000 0.896 313 L HN 0.236 nan 8.230 nan 0.000 0.432 314 M N -0.788 118.764 119.600 -0.080 0.000 2.175 314 M HA -0.157 4.323 4.480 0.000 0.000 0.264 314 M C 2.108 178.368 176.300 -0.068 0.000 1.063 314 M CA 1.418 56.676 55.300 -0.069 0.000 1.119 314 M CB 0.077 32.632 32.600 -0.076 0.000 1.377 314 M HN -0.004 nan 8.290 nan 0.000 0.415 315 V N 0.998 120.865 119.914 -0.078 0.000 2.343 315 V HA -0.283 3.837 4.120 0.000 0.000 0.247 315 V C 2.279 178.328 176.094 -0.075 0.000 1.051 315 V CA 1.789 64.041 62.300 -0.078 0.000 1.036 315 V CB -0.652 31.117 31.823 -0.089 0.000 0.654 315 V HN 0.547 nan 8.190 nan 0.000 0.451 316 L N -0.688 120.491 121.223 -0.073 0.000 2.179 316 L HA 0.006 4.346 4.340 0.000 0.000 0.208 316 L C 1.530 178.370 176.870 -0.051 0.000 1.096 316 L CA 0.541 55.342 54.840 -0.064 0.000 0.779 316 L CB -0.371 41.651 42.059 -0.061 0.000 0.922 316 L HN 0.163 nan 8.230 nan 0.000 0.443 317 K N 1.483 121.856 120.400 -0.046 0.000 2.491 317 K HA -0.045 4.275 4.320 0.000 0.000 0.279 317 K C 0.988 177.568 176.600 -0.035 0.000 1.026 317 K CA 1.060 57.325 56.287 -0.036 0.000 1.070 317 K CB 0.349 32.829 32.500 -0.034 0.000 0.887 317 K HN 0.321 nan 8.250 nan 0.000 0.481 318 G N 3.514 112.297 108.800 -0.028 0.000 2.189 318 G HA2 -0.277 3.683 3.960 0.000 0.000 0.267 318 G HA3 -0.277 3.683 3.960 0.000 0.000 0.267 318 G C 0.316 175.198 174.900 -0.031 0.000 0.975 318 G CA 0.440 45.524 45.100 -0.026 0.000 0.644 318 G HN 0.549 nan 8.290 nan 0.000 0.537 319 L N 2.131 123.331 121.223 -0.038 0.000 2.426 319 L HA 0.383 4.724 4.340 0.000 0.000 0.271 319 L C -0.518 176.330 176.870 -0.036 0.000 1.169 319 L CA -1.449 53.363 54.840 -0.047 0.000 0.836 319 L CB 0.412 42.432 42.059 -0.065 0.000 1.112 319 L HN 0.140 nan 8.230 nan 0.000 0.465 320 P HA 0.279 nan 4.420 nan 0.000 0.284 320 P C -0.922 176.366 177.300 -0.021 0.000 1.292 320 P CA -0.620 62.466 63.100 -0.023 0.000 0.800 320 P CB 1.098 32.787 31.700 -0.019 0.000 1.188 321 S N -0.744 114.952 115.700 -0.007 0.000 2.601 321 S HA 0.313 4.783 4.470 0.000 0.000 0.271 321 S C 0.872 175.478 174.600 0.010 0.000 1.305 321 S CA -0.173 58.029 58.200 0.004 0.000 1.022 321 S CB 0.749 63.955 63.200 0.009 0.000 0.940 321 S HN 0.511 nan 8.310 nan 0.000 0.525 322 T N 0.547 115.119 114.554 0.029 0.000 3.499 322 T HA 0.154 4.505 4.350 0.000 0.000 0.227 322 T C -0.354 174.385 174.700 0.064 0.000 0.946 322 T CA 0.075 62.204 62.100 0.048 0.000 1.368 322 T CB -0.388 68.520 68.868 0.067 0.000 1.227 322 T HN 0.580 nan 8.240 nan 0.000 0.398 323 Y N 3.251 123.550 120.300 -0.003 0.000 2.319 323 Y HA 0.463 5.013 4.550 0.000 0.000 0.328 323 Y C -0.327 175.572 175.900 -0.002 0.000 1.133 323 Y CA -0.766 57.333 58.100 -0.002 0.000 1.265 323 Y CB 0.365 38.822 38.460 -0.005 0.000 1.218 323 Y HN 0.152 nan 8.280 nan 0.000 0.508 324 N N 4.466 122.612 118.700 -0.924 0.000 2.242 324 N HA 0.117 4.857 4.740 0.000 0.000 0.292 324 N C -0.003 175.012 175.510 -0.825 0.000 1.125 324 N CA -0.713 51.972 53.050 -0.607 0.000 0.783 324 N CB 2.057 40.363 38.487 -0.301 0.000 1.558 324 N HN 0.539 nan 8.380 nan 0.000 0.472 325 K N 1.181 121.361 120.400 -0.367 0.000 2.280 325 K HA -0.081 4.239 4.320 0.000 0.000 0.202 325 K C 0.306 176.816 176.600 -0.150 0.000 1.047 325 K CA 1.578 57.766 56.287 -0.166 0.000 0.942 325 K CB -0.094 32.400 32.500 -0.010 0.000 0.739 325 K HN 0.449 nan 8.250 nan 0.000 0.457 326 D N 0.431 120.726 120.400 -0.175 0.000 2.190 326 D HA -0.188 4.452 4.640 0.000 0.000 0.200 326 D C 1.526 177.752 176.300 -0.123 0.000 0.992 326 D CA 1.302 55.227 54.000 -0.125 0.000 0.854 326 D CB -0.144 40.582 40.800 -0.123 0.000 0.936 326 D HN 0.226 nan 8.370 nan 0.000 0.462 327 L N 0.646 121.762 121.223 -0.178 0.000 2.261 327 L HA -0.206 4.134 4.340 0.000 0.000 0.216 327 L C 2.351 179.197 176.870 -0.041 0.000 1.114 327 L CA 0.979 55.748 54.840 -0.118 0.000 0.777 327 L CB -0.733 41.246 42.059 -0.133 0.000 0.910 327 L HN 0.232 nan 8.230 nan 0.000 0.440 328 Q N -0.448 119.349 119.800 -0.004 0.000 2.500 328 Q HA -0.173 4.167 4.340 0.000 0.000 0.213 328 Q C 1.361 177.362 176.000 0.001 0.000 0.974 328 Q CA 0.873 56.706 55.803 0.050 0.000 0.918 328 Q CB -0.155 28.646 28.738 0.105 0.000 0.980 328 Q HN 0.415 nan 8.270 nan 0.000 0.505 329 E N 1.880 122.049 120.200 -0.052 0.000 2.418 329 E HA -0.147 4.203 4.350 0.000 0.000 0.197 329 E C 1.181 177.695 176.600 -0.143 0.000 1.026 329 E CA 1.100 57.440 56.400 -0.101 0.000 0.862 329 E CB 0.050 29.690 29.700 -0.100 0.000 0.799 329 E HN 0.729 nan 8.360 nan 0.000 0.518 330 D N 1.178 121.500 120.400 -0.129 0.000 2.117 330 D HA -0.204 4.436 4.640 0.000 0.000 0.197 330 D C 1.573 177.721 176.300 -0.254 0.000 0.987 330 D CA 1.134 55.033 54.000 -0.168 0.000 0.829 330 D CB -0.398 40.308 40.800 -0.156 0.000 0.961 330 D HN 0.079 nan 8.370 nan 0.000 0.460 331 K N 0.418 120.636 120.400 -0.303 0.000 2.020 331 K HA -0.168 4.152 4.320 0.000 0.000 0.212 331 K C 2.360 178.446 176.600 -0.857 0.000 1.050 331 K CA 1.712 57.601 56.287 -0.662 0.000 0.929 331 K CB -0.204 32.039 32.500 -0.428 0.000 0.714 331 K HN 0.280 nan 8.250 nan 0.000 0.443 332 E N 0.303 120.171 120.200 -0.553 0.000 2.153 332 E HA -0.180 4.171 4.350 0.000 0.000 0.194 332 E C 1.996 178.472 176.600 -0.206 0.000 0.988 332 E CA 0.996 57.155 56.400 -0.401 0.000 0.811 332 E CB -0.077 29.335 29.700 -0.480 0.000 0.746 332 E HN 0.361 nan 8.360 nan 0.000 0.466 333 A N 0.682 123.385 122.820 -0.195 0.000 1.898 333 A HA -0.111 4.209 4.320 0.000 0.000 0.216 333 A C 2.460 180.053 177.584 0.016 0.000 1.181 333 A CA 0.950 52.936 52.037 -0.084 0.000 0.620 333 A CB -0.489 18.455 19.000 -0.094 0.000 0.819 333 A HN 0.109 nan 8.150 nan 0.000 0.442 334 V N -0.773 119.119 119.914 -0.036 0.000 2.307 334 V HA -0.245 3.875 4.120 0.000 0.000 0.245 334 V C 2.338 178.621 176.094 0.315 0.000 1.045 334 V CA 1.957 64.348 62.300 0.152 0.000 1.024 334 V CB -1.040 30.788 31.823 0.008 0.000 0.651 334 V HN 0.643 nan 8.190 nan 0.000 0.449 335 F N 0.447 120.466 119.950 0.114 0.000 2.095 335 F HA -0.266 4.261 4.527 0.000 0.000 0.298 335 F C 2.531 178.410 175.800 0.132 0.000 1.104 335 F CA 1.533 59.599 58.000 0.110 0.000 1.232 335 F CB -0.341 38.653 39.000 -0.011 0.000 0.987 335 F HN 0.275 nan 8.300 nan 0.000 0.475 336 D N 0.541 121.103 120.400 0.271 0.000 2.097 336 D HA -0.146 4.494 4.640 0.000 0.000 0.195 336 D C 2.075 178.484 176.300 0.181 0.000 0.989 336 D CA 1.174 55.276 54.000 0.170 0.000 0.827 336 D CB -0.253 40.596 40.800 0.082 0.000 0.966 336 D HN 0.034 nan 8.370 nan 0.000 0.456 337 V N -0.110 119.936 119.914 0.220 0.000 2.427 337 V HA -0.159 3.962 4.120 0.000 0.000 0.248 337 V C 2.677 178.976 176.094 0.341 0.000 1.051 337 V CA 1.036 63.467 62.300 0.218 0.000 1.048 337 V CB -0.200 31.724 31.823 0.168 0.000 0.666 337 V HN 0.124 nan 8.190 nan 0.000 0.456 338 V N 0.337 120.535 119.914 0.473 0.000 2.261 338 V HA -0.256 3.864 4.120 0.000 0.000 0.246 338 V C 2.289 178.550 176.094 0.278 0.000 1.047 338 V CA 2.314 64.874 62.300 0.433 0.000 1.015 338 V CB -0.627 31.441 31.823 0.409 0.000 0.642 338 V HN 0.562 nan 8.190 nan 0.000 0.446 339 D N -0.469 120.074 120.400 0.239 0.000 2.144 339 D HA -0.120 4.520 4.640 0.000 0.000 0.200 339 D C 2.255 178.624 176.300 0.116 0.000 0.978 339 D CA 1.669 55.763 54.000 0.157 0.000 0.833 339 D CB -0.391 40.489 40.800 0.133 0.000 0.961 339 D HN 0.391 nan 8.370 nan 0.000 0.470 340 T N 1.162 115.786 114.554 0.117 0.000 2.737 340 T HA -0.044 4.306 4.350 0.000 0.000 0.265 340 T C 2.210 176.946 174.700 0.059 0.000 1.038 340 T CA 0.518 62.660 62.100 0.071 0.000 1.144 340 T CB -0.207 68.693 68.868 0.053 0.000 0.866 340 T HN 0.117 nan 8.240 nan 0.000 0.434 341 L N 0.659 121.937 121.223 0.092 0.000 2.056 341 L HA -0.111 4.230 4.340 0.000 0.000 0.207 341 L C 2.930 179.851 176.870 0.084 0.000 1.078 341 L CA 1.245 56.135 54.840 0.085 0.000 0.749 341 L CB -1.117 41.032 42.059 0.150 0.000 0.901 341 L HN 0.294 nan 8.230 nan 0.000 0.433 342 T N -0.012 114.608 114.554 0.110 0.000 2.720 342 T HA -0.198 4.152 4.350 0.000 0.000 0.268 342 T C 1.949 176.599 174.700 -0.082 0.000 1.037 342 T CA 1.461 63.594 62.100 0.055 0.000 1.144 342 T CB -0.190 68.741 68.868 0.105 0.000 0.864 342 T HN 0.462 nan 8.240 nan 0.000 0.444 343 A N 0.796 123.603 122.820 -0.023 0.000 1.854 343 A HA 0.021 4.341 4.320 0.000 0.000 0.214 343 A C 2.594 180.156 177.584 -0.036 0.000 1.192 343 A CA 1.123 53.140 52.037 -0.033 0.000 0.611 343 A CB -1.010 17.994 19.000 0.007 0.000 0.832 343 A HN 0.316 nan 8.150 nan 0.000 0.442 344 V N 0.365 120.268 119.914 -0.018 0.000 2.332 344 V HA -0.275 3.845 4.120 0.000 0.000 0.248 344 V C 2.599 178.666 176.094 -0.045 0.000 1.055 344 V CA 2.008 64.293 62.300 -0.026 0.000 1.038 344 V CB -0.791 31.017 31.823 -0.024 0.000 0.651 344 V HN 0.548 nan 8.190 nan 0.000 0.450 345 L N -0.722 120.478 121.223 -0.039 0.000 2.017 345 L HA -0.262 4.079 4.340 0.000 0.000 0.208 345 L C 2.696 179.526 176.870 -0.066 0.000 1.073 345 L CA 1.793 56.615 54.840 -0.029 0.000 0.745 345 L CB -0.591 41.491 42.059 0.039 0.000 0.894 345 L HN 0.369 nan 8.230 nan 0.000 0.432 346 Q N -0.833 118.889 119.800 -0.130 0.000 2.124 346 Q HA -0.171 4.169 4.340 0.000 0.000 0.202 346 Q C 2.333 178.292 176.000 -0.069 0.000 0.977 346 Q CA 1.327 57.056 55.803 -0.122 0.000 0.850 346 Q CB -0.110 28.508 28.738 -0.200 0.000 0.901 346 Q HN 0.353 nan 8.270 nan 0.000 0.429 347 V N 0.814 120.694 119.914 -0.057 0.000 2.358 347 V HA -0.265 3.855 4.120 0.000 0.000 0.246 347 V C 2.247 178.172 176.094 -0.281 0.000 1.047 347 V CA 1.771 64.024 62.300 -0.077 0.000 1.035 347 V CB -0.891 30.942 31.823 0.017 0.000 0.658 347 V HN 0.395 nan 8.190 nan 0.000 0.452 348 A N -0.376 122.336 122.820 -0.180 0.000 1.908 348 A HA -0.244 4.076 4.320 0.000 0.000 0.218 348 A C 2.401 179.860 177.584 -0.208 0.000 1.181 348 A CA 2.589 54.512 52.037 -0.190 0.000 0.627 348 A CB -1.011 17.916 19.000 -0.122 0.000 0.818 348 A HN 0.495 nan 8.150 nan 0.000 0.445 349 T N -0.285 114.179 114.554 -0.151 0.000 2.708 349 T HA -0.059 4.291 4.350 0.000 0.000 0.266 349 T C 1.971 176.573 174.700 -0.163 0.000 1.037 349 T CA 1.568 63.603 62.100 -0.109 0.000 1.146 349 T CB -0.672 68.174 68.868 -0.037 0.000 0.865 349 T HN 0.603 nan 8.240 nan 0.000 0.435 350 G N 0.946 109.586 108.800 -0.266 0.000 2.418 350 G HA2 -0.178 3.782 3.960 0.000 0.000 0.217 350 G HA3 -0.178 3.782 3.960 0.000 0.000 0.217 350 G C 1.720 176.238 174.900 -0.636 0.000 1.158 350 G CA 0.884 45.768 45.100 -0.360 0.000 0.771 350 G HN 0.426 nan 8.290 nan 0.000 0.545 351 V N 1.473 120.828 119.914 -0.933 0.000 2.287 351 V HA -0.171 3.949 4.120 0.000 0.000 0.248 351 V C 2.812 178.790 176.094 -0.192 0.000 1.053 351 V CA 1.337 63.291 62.300 -0.578 0.000 1.027 351 V CB -0.332 31.237 31.823 -0.424 0.000 0.646 351 V HN 0.280 nan 8.190 nan 0.000 0.447 352 I N 0.005 120.486 120.570 -0.148 0.000 2.252 352 I HA -0.182 3.988 4.170 0.000 0.000 0.245 352 I C 2.726 178.854 176.117 0.019 0.000 1.102 352 I CA 2.056 63.340 61.300 -0.028 0.000 1.385 352 I CB -1.366 36.607 38.000 -0.044 0.000 1.064 352 I HN 0.406 nan 8.210 nan 0.000 0.414 353 S N 0.607 116.301 115.700 -0.010 0.000 2.368 353 S HA -0.164 4.306 4.470 0.000 0.000 0.225 353 S C 1.980 176.624 174.600 0.073 0.000 1.030 353 S CA 2.318 60.540 58.200 0.037 0.000 0.999 353 S CB -0.324 62.896 63.200 0.033 0.000 0.844 353 S HN 0.642 nan 8.310 nan 0.000 0.459 354 T N 0.255 114.858 114.554 0.082 0.000 3.060 354 T HA 0.326 4.676 4.350 0.000 0.000 0.249 354 T C 0.592 175.372 174.700 0.132 0.000 1.079 354 T CA -0.079 62.103 62.100 0.136 0.000 1.013 354 T CB -0.664 68.348 68.868 0.241 0.000 0.975 354 T HN 0.379 nan 8.240 nan 0.000 0.518 355 L N 0.160 121.453 121.223 0.117 0.000 2.473 355 L HA 0.565 4.905 4.340 0.000 0.000 0.268 355 L C -0.190 176.748 176.870 0.113 0.000 1.215 355 L CA -0.346 54.568 54.840 0.123 0.000 0.823 355 L CB 0.190 42.331 42.059 0.136 0.000 1.099 355 L HN -0.111 nan 8.230 nan 0.000 0.483 356 Q N 3.172 123.025 119.800 0.088 0.000 2.333 356 Q HA 0.545 4.885 4.340 0.000 0.000 0.268 356 Q C -0.461 175.549 176.000 0.017 0.000 1.007 356 Q CA -0.411 55.425 55.803 0.055 0.000 0.810 356 Q CB 2.147 30.910 28.738 0.043 0.000 1.264 356 Q HN 0.848 nan 8.270 nan 0.000 0.452 357 I N -1.474 119.075 120.570 -0.035 0.000 2.677 357 I HA 0.531 4.701 4.170 0.000 0.000 0.305 357 I C 0.230 176.271 176.117 -0.127 0.000 0.988 357 I CA -0.622 60.585 61.300 -0.156 0.000 1.260 357 I CB 1.681 39.447 38.000 -0.390 0.000 1.410 357 I HN 0.330 nan 8.210 nan 0.000 0.523 358 S N 3.170 118.786 115.700 -0.140 0.000 2.512 358 S HA 0.324 4.794 4.470 0.000 0.000 0.291 358 S C 0.706 175.214 174.600 -0.153 0.000 1.151 358 S CA -0.765 57.378 58.200 -0.094 0.000 1.120 358 S CB 0.326 63.508 63.200 -0.030 0.000 1.029 358 S HN 0.771 nan 8.310 nan 0.000 0.485 359 K N 2.528 122.835 120.400 -0.155 0.000 2.211 359 K HA -0.153 4.167 4.320 0.000 0.000 0.204 359 K C 1.836 178.355 176.600 -0.135 0.000 1.047 359 K CA 1.415 57.597 56.287 -0.174 0.000 0.935 359 K CB 0.039 32.469 32.500 -0.118 0.000 0.728 359 K HN 0.749 nan 8.250 nan 0.000 0.452 360 E N 1.070 121.218 120.200 -0.088 0.000 2.047 360 E HA -0.185 4.165 4.350 0.000 0.000 0.191 360 E C 1.608 178.171 176.600 -0.061 0.000 0.987 360 E CA 1.121 57.485 56.400 -0.061 0.000 0.799 360 E CB 0.150 29.828 29.700 -0.037 0.000 0.752 360 E HN 0.229 nan 8.360 nan 0.000 0.449 361 N N 0.103 118.779 118.700 -0.040 0.000 2.216 361 N HA -0.095 4.645 4.740 0.000 0.000 0.183 361 N C 1.817 177.324 175.510 -0.005 0.000 1.017 361 N CA 1.073 54.134 53.050 0.020 0.000 0.861 361 N CB -0.163 38.383 38.487 0.099 0.000 0.986 361 N HN 0.273 nan 8.380 nan 0.000 0.428 362 M N 0.418 119.906 119.600 -0.186 0.000 2.117 362 M HA -0.097 4.383 4.480 0.000 0.000 0.262 362 M C 2.025 178.113 176.300 -0.353 0.000 1.065 362 M CA 1.222 56.220 55.300 -0.504 0.000 1.114 362 M CB -0.123 32.087 32.600 -0.651 0.000 1.361 362 M HN 0.109 nan 8.290 nan 0.000 0.408 363 E N 0.885 120.940 120.200 -0.242 0.000 2.072 363 E HA -0.162 4.188 4.350 0.000 0.000 0.190 363 E C 1.761 178.240 176.600 -0.201 0.000 0.982 363 E CA 1.148 57.419 56.400 -0.215 0.000 0.803 363 E CB 0.063 29.686 29.700 -0.128 0.000 0.755 363 E HN 0.433 nan 8.360 nan 0.000 0.453 364 K N -0.017 120.309 120.400 -0.123 0.000 2.209 364 K HA -0.074 4.246 4.320 0.000 0.000 0.204 364 K C 1.932 178.471 176.600 -0.100 0.000 1.048 364 K CA 0.840 57.077 56.287 -0.084 0.000 0.940 364 K CB -0.049 32.427 32.500 -0.039 0.000 0.729 364 K HN 0.056 nan 8.250 nan 0.000 0.451 365 A N 1.032 123.791 122.820 -0.102 0.000 2.119 365 A HA -0.004 4.316 4.320 0.000 0.000 0.217 365 A C 0.831 178.300 177.584 -0.192 0.000 1.153 365 A CA 0.456 52.450 52.037 -0.072 0.000 0.692 365 A CB -0.281 18.774 19.000 0.092 0.000 0.799 365 A HN 0.130 nan 8.150 nan 0.000 0.458 366 L N 1.741 122.739 121.223 -0.375 0.000 2.360 366 L HA 0.303 4.643 4.340 0.000 0.000 0.276 366 L C 0.552 177.175 176.870 -0.411 0.000 1.121 366 L CA -0.201 54.241 54.840 -0.663 0.000 0.845 366 L CB 0.804 41.969 42.059 -1.489 0.000 1.143 366 L HN 0.359 nan 8.230 nan 0.000 0.452 367 T N -0.514 113.979 114.554 -0.101 0.000 2.916 367 T HA 0.443 4.793 4.350 0.000 0.000 0.292 367 T C -2.231 172.670 174.700 0.335 0.000 1.064 367 T CA -2.007 60.179 62.100 0.143 0.000 1.011 367 T CB 2.216 71.111 68.868 0.046 0.000 1.152 367 T HN 0.164 nan 8.240 nan 0.000 0.510 368 P HA -0.052 nan 4.420 nan 0.000 0.215 368 P C 1.199 178.598 177.300 0.166 0.000 1.153 368 P CA 1.002 64.218 63.100 0.193 0.000 0.853 368 P CB 0.053 31.784 31.700 0.052 0.000 0.788 369 E N -0.892 119.372 120.200 0.105 0.000 2.171 369 E HA -0.168 4.182 4.350 0.000 0.000 0.197 369 E C 1.781 178.437 176.600 0.093 0.000 0.997 369 E CA 1.303 57.749 56.400 0.076 0.000 0.810 369 E CB -1.052 28.672 29.700 0.040 0.000 0.738 369 E HN 0.333 nan 8.360 nan 0.000 0.467 370 M N -0.397 119.274 119.600 0.119 0.000 2.686 370 M HA -0.002 4.478 4.480 0.000 0.000 0.246 370 M C 0.869 177.256 176.300 0.145 0.000 1.096 370 M CA 0.709 56.076 55.300 0.111 0.000 1.076 370 M CB 0.131 32.788 32.600 0.094 0.000 1.504 370 M HN 0.045 nan 8.290 nan 0.000 0.524 371 L N -1.018 120.304 121.223 0.164 0.000 2.667 371 L HA 0.260 4.600 4.340 0.000 0.000 0.232 371 L C 2.345 179.267 176.870 0.085 0.000 1.138 371 L CA -0.349 54.565 54.840 0.124 0.000 0.921 371 L CB -0.439 41.692 42.059 0.119 0.000 1.180 371 L HN 0.195 nan 8.230 nan 0.000 0.487 372 A N 0.203 123.079 122.820 0.093 0.000 1.933 372 A HA -0.164 4.156 4.320 0.000 0.000 0.218 372 A C 2.324 179.938 177.584 0.050 0.000 1.175 372 A CA 2.230 54.307 52.037 0.067 0.000 0.628 372 A CB -0.579 18.446 19.000 0.043 0.000 0.814 372 A HN 0.308 nan 8.150 nan 0.000 0.444 373 T N 0.125 114.720 114.554 0.068 0.000 2.867 373 T HA -0.098 4.252 4.350 0.000 0.000 0.268 373 T C 1.393 176.146 174.700 0.090 0.000 1.057 373 T CA 1.508 63.660 62.100 0.088 0.000 1.136 373 T CB -0.353 68.590 68.868 0.126 0.000 0.874 373 T HN 0.461 nan 8.240 nan 0.000 0.466 374 D N 0.890 121.332 120.400 0.070 0.000 2.144 374 D HA -0.005 4.635 4.640 0.000 0.000 0.200 374 D C 1.963 178.280 176.300 0.029 0.000 0.978 374 D CA 0.407 54.431 54.000 0.040 0.000 0.833 374 D CB -0.424 40.372 40.800 -0.006 0.000 0.961 374 D HN 0.180 nan 8.370 nan 0.000 0.470 375 L N 0.876 122.100 121.223 0.002 0.000 2.042 375 L HA -0.099 4.241 4.340 0.000 0.000 0.210 375 L C 2.074 179.059 176.870 0.193 0.000 1.076 375 L CA 1.609 56.478 54.840 0.050 0.000 0.749 375 L CB -0.693 41.399 42.059 0.055 0.000 0.893 375 L HN -0.021 nan 8.230 nan 0.000 0.432 376 A N -0.876 122.018 122.820 0.124 0.000 1.898 376 A HA -0.138 4.182 4.320 0.000 0.000 0.216 376 A C 2.266 179.913 177.584 0.105 0.000 1.181 376 A CA 1.723 53.820 52.037 0.100 0.000 0.620 376 A CB -0.811 18.216 19.000 0.045 0.000 0.819 376 A HN 0.461 nan 8.150 nan 0.000 0.442 377 L N -1.847 119.441 121.223 0.107 0.000 2.083 377 L HA -0.217 4.123 4.340 0.000 0.000 0.209 377 L C 2.562 179.477 176.870 0.074 0.000 1.083 377 L CA 1.826 56.715 54.840 0.082 0.000 0.752 377 L CB -0.615 41.479 42.059 0.058 0.000 0.899 377 L HN 0.653 nan 8.230 nan 0.000 0.433 378 Y N 0.617 120.910 120.300 -0.013 0.000 2.114 378 Y HA -0.294 4.256 4.550 0.000 0.000 0.282 378 Y C 2.302 178.178 175.900 -0.040 0.000 1.165 378 Y CA 1.685 59.775 58.100 -0.018 0.000 1.148 378 Y CB -0.165 38.307 38.460 0.019 0.000 0.972 378 Y HN 0.021 nan 8.280 nan 0.000 0.504 379 L N -1.033 120.240 121.223 0.084 0.000 2.141 379 L HA -0.190 4.151 4.340 0.000 0.000 0.209 379 L C 2.340 179.132 176.870 -0.130 0.000 1.094 379 L CA 0.883 55.656 54.840 -0.112 0.000 0.763 379 L CB -0.626 41.360 42.059 -0.122 0.000 0.908 379 L HN 0.163 nan 8.230 nan 0.000 0.437 380 V N -0.059 119.822 119.914 -0.055 0.000 2.407 380 V HA -0.251 3.869 4.120 0.000 0.000 0.248 380 V C 2.505 178.556 176.094 -0.072 0.000 1.055 380 V CA 1.629 63.912 62.300 -0.029 0.000 1.049 380 V CB -0.635 31.211 31.823 0.039 0.000 0.662 380 V HN 0.441 nan 8.190 nan 0.000 0.455 381 R N 0.111 120.538 120.500 -0.120 0.000 2.235 381 R HA -0.043 4.297 4.340 0.000 0.000 0.213 381 R C 1.848 178.043 176.300 -0.175 0.000 1.059 381 R CA 0.688 56.703 56.100 -0.140 0.000 0.997 381 R CB -0.164 30.039 30.300 -0.161 0.000 0.884 381 R HN 0.495 nan 8.270 nan 0.000 0.462 382 K N -0.555 119.708 120.400 -0.228 0.000 2.404 382 K HA 0.120 4.440 4.320 0.000 0.000 0.194 382 K C 0.881 177.400 176.600 -0.135 0.000 1.023 382 K CA 0.541 56.700 56.287 -0.213 0.000 1.094 382 K CB 1.097 33.416 32.500 -0.302 0.000 0.841 382 K HN 0.343 nan 8.250 nan 0.000 0.523 383 G N 1.339 110.076 108.800 -0.104 0.000 2.307 383 G HA2 -0.263 3.697 3.960 0.000 0.000 0.210 383 G HA3 -0.263 3.697 3.960 0.000 0.000 0.210 383 G C 0.266 175.135 174.900 -0.051 0.000 1.005 383 G CA -0.084 44.975 45.100 -0.068 0.000 0.634 383 G HN 0.199 nan 8.290 nan 0.000 0.496 384 V N 0.971 120.844 119.914 -0.068 0.000 2.617 384 V HA 0.545 4.665 4.120 0.000 0.000 0.304 384 V C -1.065 175.024 176.094 -0.008 0.000 1.040 384 V CA -1.070 61.200 62.300 -0.049 0.000 1.149 384 V CB 0.597 32.372 31.823 -0.080 0.000 0.914 384 V HN 0.377 nan 8.190 nan 0.000 0.487 385 P HA 0.052 nan 4.420 nan 0.000 0.272 385 P C 0.700 178.063 177.300 0.105 0.000 1.223 385 P CA -0.206 62.933 63.100 0.064 0.000 0.784 385 P CB 0.709 32.441 31.700 0.055 0.000 0.923 386 F N 3.246 123.199 119.950 0.004 0.000 2.067 386 F HA -0.416 4.111 4.527 0.000 0.000 0.295 386 F C 2.753 178.579 175.800 0.044 0.000 1.142 386 F CA 3.699 61.711 58.000 0.021 0.000 1.230 386 F CB -1.387 37.617 39.000 0.006 0.000 0.941 386 F HN 0.382 nan 8.300 nan 0.000 0.518 387 R N 0.239 120.673 120.500 -0.109 0.000 2.096 387 R HA -0.226 4.115 4.340 0.000 0.000 0.240 387 R C 2.132 178.372 176.300 -0.100 0.000 1.139 387 R CA 2.230 58.210 56.100 -0.201 0.000 0.952 387 R CB -1.809 28.476 30.300 -0.024 0.000 0.854 387 R HN 0.754 nan 8.270 nan 0.000 0.436 388 Q N -0.422 119.355 119.800 -0.038 0.000 2.124 388 Q HA -0.019 4.321 4.340 0.000 0.000 0.202 388 Q C 2.641 178.623 176.000 -0.030 0.000 0.977 388 Q CA 1.404 57.193 55.803 -0.022 0.000 0.850 388 Q CB -0.236 28.492 28.738 -0.016 0.000 0.901 388 Q HN 0.696 nan 8.270 nan 0.000 0.429 389 A N 0.506 123.299 122.820 -0.045 0.000 1.930 389 A HA -0.238 4.082 4.320 0.000 0.000 0.217 389 A C 1.774 179.343 177.584 -0.025 0.000 1.175 389 A CA 1.782 53.795 52.037 -0.039 0.000 0.627 389 A CB -0.728 18.257 19.000 -0.025 0.000 0.815 389 A HN 0.465 nan 8.150 nan 0.000 0.443 390 H N -0.365 118.594 119.070 -0.184 0.000 2.353 390 H HA -0.085 4.471 4.556 0.000 0.000 0.300 390 H C 2.142 177.419 175.328 -0.085 0.000 1.090 390 H CA 2.341 58.279 56.048 -0.182 0.000 1.327 390 H CB -0.162 29.382 29.762 -0.364 0.000 1.383 390 H HN 0.379 nan 8.280 nan 0.000 0.508 391 T N 0.202 114.785 114.554 0.048 0.000 2.746 391 T HA -0.127 4.223 4.350 0.000 0.000 0.267 391 T C 2.210 176.912 174.700 0.003 0.000 1.039 391 T CA 1.135 63.253 62.100 0.030 0.000 1.142 391 T CB -0.634 68.255 68.868 0.035 0.000 0.866 391 T HN 0.552 nan 8.240 nan 0.000 0.444 392 A N 1.040 123.870 122.820 0.016 0.000 1.883 392 A HA -0.118 4.203 4.320 0.000 0.000 0.217 392 A C 2.582 180.236 177.584 0.116 0.000 1.186 392 A CA 2.185 54.264 52.037 0.070 0.000 0.624 392 A CB -1.174 17.853 19.000 0.046 0.000 0.822 392 A HN 0.445 nan 8.150 nan 0.000 0.444 393 S N -0.717 115.028 115.700 0.074 0.000 2.368 393 S HA -0.055 4.415 4.470 0.000 0.000 0.225 393 S C 2.060 176.662 174.600 0.004 0.000 1.030 393 S CA 1.753 59.994 58.200 0.069 0.000 0.999 393 S CB -0.754 62.446 63.200 0.001 0.000 0.844 393 S HN 0.737 nan 8.310 nan 0.000 0.459 394 G N 1.186 109.942 108.800 -0.074 0.000 2.440 394 G HA2 -0.214 3.746 3.960 0.000 0.000 0.218 394 G HA3 -0.214 3.746 3.960 0.000 0.000 0.218 394 G C 1.528 176.447 174.900 0.031 0.000 1.154 394 G CA 0.847 45.917 45.100 -0.050 0.000 0.767 394 G HN 0.553 nan 8.290 nan 0.000 0.552 395 K N 0.546 120.967 120.400 0.035 0.000 2.097 395 K HA 0.063 4.383 4.320 0.000 0.000 0.206 395 K C 2.950 179.594 176.600 0.074 0.000 1.049 395 K CA 0.929 57.245 56.287 0.048 0.000 0.933 395 K CB -0.200 32.324 32.500 0.039 0.000 0.717 395 K HN 0.279 nan 8.250 nan 0.000 0.442 396 A N 1.163 124.023 122.820 0.068 0.000 1.902 396 A HA -0.114 4.206 4.320 0.000 0.000 0.217 396 A C 2.396 179.996 177.584 0.025 0.000 1.181 396 A CA 1.333 53.389 52.037 0.032 0.000 0.623 396 A CB -0.652 18.353 19.000 0.008 0.000 0.818 396 A HN 0.057 nan 8.150 nan 0.000 0.443 397 V N -0.179 119.757 119.914 0.037 0.000 2.287 397 V HA -0.287 3.833 4.120 0.000 0.000 0.248 397 V C 2.580 178.694 176.094 0.033 0.000 1.053 397 V CA 2.242 64.556 62.300 0.023 0.000 1.027 397 V CB -1.032 30.803 31.823 0.021 0.000 0.646 397 V HN 0.773 nan 8.190 nan 0.000 0.447 398 H N -0.274 118.786 119.070 -0.017 0.000 2.353 398 H HA -0.143 4.413 4.556 0.000 0.000 0.300 398 H C 2.182 177.499 175.328 -0.018 0.000 1.090 398 H CA 2.131 58.170 56.048 -0.014 0.000 1.327 398 H CB -0.043 29.715 29.762 -0.007 0.000 1.383 398 H HN 0.339 nan 8.280 nan 0.000 0.508 399 L N 1.041 122.371 121.223 0.177 0.000 2.046 399 L HA -0.064 4.276 4.340 0.000 0.000 0.208 399 L C 2.667 179.547 176.870 0.017 0.000 1.077 399 L CA 2.026 56.928 54.840 0.104 0.000 0.747 399 L CB -1.143 40.946 42.059 0.050 0.000 0.896 399 L HN 0.271 nan 8.230 nan 0.000 0.432 400 A N -0.873 121.936 122.820 -0.020 0.000 1.933 400 A HA -0.218 4.102 4.320 0.000 0.000 0.218 400 A C 2.152 179.696 177.584 -0.068 0.000 1.175 400 A CA 1.775 53.776 52.037 -0.059 0.000 0.628 400 A CB -0.585 18.369 19.000 -0.077 0.000 0.814 400 A HN 0.617 nan 8.150 nan 0.000 0.444 401 E N -0.614 119.533 120.200 -0.089 0.000 2.031 401 E HA -0.171 4.179 4.350 0.000 0.000 0.193 401 E C 2.290 178.822 176.600 -0.114 0.000 0.994 401 E CA 1.797 58.120 56.400 -0.128 0.000 0.800 401 E CB -0.449 29.121 29.700 -0.217 0.000 0.752 401 E HN 0.834 nan 8.360 nan 0.000 0.447 402 T N -0.277 114.215 114.554 -0.103 0.000 2.849 402 T HA -0.147 4.204 4.350 0.000 0.000 0.270 402 T C 1.645 176.327 174.700 -0.030 0.000 1.066 402 T CA 1.144 63.217 62.100 -0.045 0.000 1.130 402 T CB -0.118 68.771 68.868 0.035 0.000 0.864 402 T HN -0.005 nan 8.240 nan 0.000 0.481 403 K N 0.550 120.929 120.400 -0.035 0.000 2.404 403 K HA 0.330 4.650 4.320 0.000 0.000 0.194 403 K C 1.391 177.964 176.600 -0.045 0.000 1.023 403 K CA 0.293 56.558 56.287 -0.036 0.000 1.094 403 K CB -0.006 32.471 32.500 -0.039 0.000 0.841 403 K HN 0.517 nan 8.250 nan 0.000 0.523 404 G N 2.766 111.535 108.800 -0.053 0.000 2.221 404 G HA2 -0.258 3.703 3.960 0.000 0.000 0.265 404 G HA3 -0.258 3.703 3.960 0.000 0.000 0.265 404 G C 0.087 174.953 174.900 -0.057 0.000 1.041 404 G CA 0.837 45.905 45.100 -0.053 0.000 0.807 404 G HN 0.467 nan 8.290 nan 0.000 0.502 405 I N -3.612 116.918 120.570 -0.066 0.000 3.239 405 I HA 0.902 5.072 4.170 0.000 0.000 0.314 405 I C 0.449 176.512 176.117 -0.089 0.000 1.126 405 I CA -0.781 60.473 61.300 -0.077 0.000 0.973 405 I CB 1.895 39.842 38.000 -0.088 0.000 1.252 405 I HN 0.172 nan 8.210 nan 0.000 0.463 406 T N -0.258 114.232 114.554 -0.106 0.000 2.913 406 T HA 0.375 4.726 4.350 0.000 0.000 0.287 406 T C 1.366 175.953 174.700 -0.188 0.000 1.008 406 T CA -0.471 61.557 62.100 -0.119 0.000 1.067 406 T CB 1.432 70.235 68.868 -0.108 0.000 0.996 406 T HN 0.760 nan 8.240 nan 0.000 0.513 407 I N 0.328 120.786 120.570 -0.186 0.000 2.423 407 I HA -0.186 3.984 4.170 0.000 0.000 0.254 407 I C 1.958 177.694 176.117 -0.635 0.000 1.151 407 I CA 1.493 62.636 61.300 -0.262 0.000 1.421 407 I CB -0.750 37.193 38.000 -0.095 0.000 1.079 407 I HN 0.696 nan 8.210 nan 0.000 0.431 408 N N 1.640 119.834 118.700 -0.843 0.000 2.512 408 N HA -0.141 4.599 4.740 0.000 0.000 0.183 408 N C 1.230 176.307 175.510 -0.723 0.000 1.073 408 N CA 0.716 52.920 53.050 -1.410 0.000 0.911 408 N CB -0.298 37.624 38.487 -0.941 0.000 0.964 408 N HN 0.443 nan 8.380 nan 0.000 0.447 409 K N 0.578 120.712 120.400 -0.442 0.000 2.393 409 K HA 0.261 4.581 4.320 0.000 0.000 0.193 409 K C 0.689 177.150 176.600 -0.232 0.000 1.026 409 K CA -0.268 55.854 56.287 -0.274 0.000 1.064 409 K CB 0.332 32.719 32.500 -0.188 0.000 0.833 409 K HN 0.254 nan 8.250 nan 0.000 0.521 410 L N 2.594 123.655 121.223 -0.270 0.000 2.485 410 L HA -0.032 4.308 4.340 0.000 0.000 0.275 410 L C 0.935 177.699 176.870 -0.176 0.000 1.207 410 L CA -0.035 54.686 54.840 -0.199 0.000 0.855 410 L CB 0.334 42.267 42.059 -0.209 0.000 1.114 410 L HN 0.089 nan 8.230 nan 0.000 0.485 411 S N 2.145 117.773 115.700 -0.121 0.000 2.632 411 S HA 0.155 4.625 4.470 0.000 0.000 0.271 411 S C 0.739 175.286 174.600 -0.088 0.000 1.260 411 S CA -0.854 57.290 58.200 -0.093 0.000 1.010 411 S CB 1.452 64.615 63.200 -0.062 0.000 0.965 411 S HN 0.562 nan 8.310 nan 0.000 0.534 412 L N 0.619 121.804 121.223 -0.062 0.000 2.127 412 L HA -0.021 4.319 4.340 0.000 0.000 0.211 412 L C 2.341 179.205 176.870 -0.011 0.000 1.089 412 L CA 2.178 56.995 54.840 -0.040 0.000 0.757 412 L CB -1.106 40.950 42.059 -0.007 0.000 0.899 412 L HN 0.944 nan 8.230 nan 0.000 0.434 413 E N -0.340 119.854 120.200 -0.010 0.000 2.152 413 E HA -0.172 4.178 4.350 0.000 0.000 0.192 413 E C 1.807 178.409 176.600 0.004 0.000 0.983 413 E CA 1.234 57.638 56.400 0.007 0.000 0.818 413 E CB -0.266 29.436 29.700 0.003 0.000 0.758 413 E HN 0.541 nan 8.360 nan 0.000 0.467 414 D N 0.097 120.484 120.400 -0.022 0.000 2.104 414 D HA -0.161 4.479 4.640 0.000 0.000 0.194 414 D C 2.040 178.330 176.300 -0.018 0.000 0.994 414 D CA 1.036 55.020 54.000 -0.026 0.000 0.830 414 D CB -0.142 40.625 40.800 -0.055 0.000 0.959 414 D HN 0.273 nan 8.370 nan 0.000 0.452 415 L N 0.616 121.804 121.223 -0.058 0.000 2.056 415 L HA -0.131 4.209 4.340 0.000 0.000 0.207 415 L C 2.462 179.445 176.870 0.188 0.000 1.078 415 L CA 1.037 55.833 54.840 -0.073 0.000 0.749 415 L CB -0.247 41.583 42.059 -0.383 0.000 0.901 415 L HN -0.062 nan 8.230 nan 0.000 0.433 416 K N -0.011 120.479 120.400 0.151 0.000 2.147 416 K HA -0.150 4.170 4.320 0.000 0.000 0.205 416 K C 2.308 178.983 176.600 0.126 0.000 1.049 416 K CA 1.598 57.988 56.287 0.172 0.000 0.936 416 K CB -0.158 32.408 32.500 0.110 0.000 0.722 416 K HN 0.382 nan 8.250 nan 0.000 0.446 417 S N 0.744 116.496 115.700 0.088 0.000 2.442 417 S HA -0.108 4.362 4.470 0.000 0.000 0.236 417 S C 1.865 176.511 174.600 0.076 0.000 1.007 417 S CA 0.866 59.104 58.200 0.062 0.000 0.965 417 S CB -0.308 62.916 63.200 0.039 0.000 0.773 417 S HN 0.219 nan 8.310 nan 0.000 0.504 418 I N 0.142 120.786 120.570 0.124 0.000 2.628 418 I HA 0.158 4.328 4.170 0.000 0.000 0.255 418 I C 1.025 177.223 176.117 0.135 0.000 1.119 418 I CA 0.545 61.928 61.300 0.139 0.000 1.448 418 I CB 0.289 38.409 38.000 0.201 0.000 1.133 418 I HN 0.365 nan 8.210 nan 0.000 0.438 419 S N 0.002 115.816 115.700 0.189 0.000 2.562 419 S HA 0.326 4.797 4.470 0.000 0.000 0.274 419 S C -2.259 172.382 174.600 0.069 0.000 1.160 419 S CA -1.067 57.162 58.200 0.048 0.000 0.933 419 S CB 1.821 64.924 63.200 -0.162 0.000 1.100 419 S HN -0.133 nan 8.310 nan 0.000 0.468 420 P HA 0.023 nan 4.420 nan 0.000 0.233 420 P C 0.656 177.971 177.300 0.026 0.000 1.167 420 P CA 0.623 63.749 63.100 0.043 0.000 0.770 420 P CB 0.230 31.942 31.700 0.020 0.000 0.837 421 Q N -0.754 119.005 119.800 -0.068 0.000 2.515 421 Q HA 0.115 4.455 4.340 0.000 0.000 0.212 421 Q C 0.264 176.279 176.000 0.025 0.000 0.970 421 Q CA 0.352 56.100 55.803 -0.092 0.000 0.941 421 Q CB -0.915 27.700 28.738 -0.205 0.000 0.998 421 Q HN 0.339 nan 8.270 nan 0.000 0.518 422 F N 0.457 120.505 119.950 0.164 0.000 2.421 422 F HA 0.241 4.769 4.527 0.000 0.000 0.358 422 F C 0.505 176.381 175.800 0.127 0.000 1.115 422 F CA -0.586 57.519 58.000 0.176 0.000 1.160 422 F CB 0.941 39.980 39.000 0.066 0.000 1.123 422 F HN -0.209 nan 8.300 nan 0.000 0.508 423 S N 0.509 116.442 115.700 0.387 0.000 2.726 423 S HA 0.140 4.610 4.470 0.000 0.000 0.308 423 S C 0.933 175.631 174.600 0.164 0.000 1.115 423 S CA -0.492 57.845 58.200 0.229 0.000 0.965 423 S CB 1.718 65.041 63.200 0.205 0.000 1.145 423 S HN 0.697 nan 8.310 nan 0.000 0.532 424 S N 1.251 117.013 115.700 0.104 0.000 2.420 424 S HA -0.205 4.265 4.470 0.000 0.000 0.237 424 S C 1.213 175.848 174.600 0.058 0.000 1.023 424 S CA 1.757 59.994 58.200 0.061 0.000 0.991 424 S CB -0.725 62.502 63.200 0.046 0.000 0.792 424 S HN 0.849 nan 8.310 nan 0.000 0.488 425 D N 1.288 121.749 120.400 0.101 0.000 2.378 425 D HA 0.009 4.650 4.640 0.000 0.000 0.227 425 D C 1.609 177.949 176.300 0.066 0.000 1.012 425 D CA 0.433 54.495 54.000 0.103 0.000 0.905 425 D CB -0.526 40.361 40.800 0.145 0.000 0.895 425 D HN 0.397 nan 8.370 nan 0.000 0.532 426 V N 1.148 121.026 119.914 -0.060 0.000 3.078 426 V HA -0.199 3.921 4.120 0.000 0.000 0.265 426 V C 2.172 178.099 176.094 -0.279 0.000 1.122 426 V CA 1.946 63.959 62.300 -0.478 0.000 1.141 426 V CB -0.817 30.654 31.823 -0.587 0.000 0.735 426 V HN 0.424 nan 8.190 nan 0.000 0.498 427 S N -0.709 114.955 115.700 -0.059 0.000 2.423 427 S HA -0.270 4.200 4.470 0.000 0.000 0.231 427 S C 1.751 176.347 174.600 -0.006 0.000 1.014 427 S CA 1.474 59.715 58.200 0.068 0.000 0.965 427 S CB -0.469 62.760 63.200 0.049 0.000 0.785 427 S HN 0.752 nan 8.310 nan 0.000 0.495 428 Q N 0.569 120.329 119.800 -0.066 0.000 2.364 428 Q HA 0.064 4.404 4.340 0.000 0.000 0.207 428 Q C 2.063 177.962 176.000 -0.168 0.000 0.970 428 Q CA 0.996 56.756 55.803 -0.071 0.000 0.888 428 Q CB -0.355 28.372 28.738 -0.017 0.000 0.951 428 Q HN 0.505 nan 8.270 nan 0.000 0.469 429 V N 0.026 119.724 119.914 -0.359 0.000 2.427 429 V HA -0.186 3.934 4.120 0.000 0.000 0.248 429 V C 0.824 176.554 176.094 -0.608 0.000 1.051 429 V CA 1.311 63.288 62.300 -0.539 0.000 1.048 429 V CB -0.321 30.968 31.823 -0.889 0.000 0.666 429 V HN 0.294 nan 8.190 nan 0.000 0.456 430 F N 1.831 121.667 119.950 -0.190 0.000 2.666 430 F HA 0.325 4.852 4.527 0.000 0.000 0.362 430 F C 0.655 176.241 175.800 -0.357 0.000 1.190 430 F CA 0.133 57.966 58.000 -0.278 0.000 1.328 430 F CB -0.444 38.416 39.000 -0.232 0.000 1.682 430 F HN 0.121 nan 8.300 nan 0.000 0.623 431 N N 0.876 119.390 118.700 -0.311 0.000 2.542 431 N HA 0.118 4.858 4.740 0.000 0.000 0.288 431 N C 0.132 175.475 175.510 -0.278 0.000 1.115 431 N CA -0.406 52.471 53.050 -0.289 0.000 0.924 431 N CB 0.719 39.136 38.487 -0.117 0.000 1.526 431 N HN 0.171 nan 8.380 nan 0.000 0.515 432 F N 1.534 121.505 119.950 0.036 0.000 2.293 432 F HA -0.068 4.459 4.527 0.000 0.000 0.300 432 F C 2.239 178.060 175.800 0.035 0.000 1.086 432 F CA 0.550 58.569 58.000 0.031 0.000 1.375 432 F CB 0.276 39.286 39.000 0.017 0.000 1.045 432 F HN 0.304 nan 8.300 nan 0.000 0.516 433 V N 0.210 120.224 119.914 0.167 0.000 2.379 433 V HA -0.248 3.872 4.120 0.000 0.000 0.245 433 V C 1.964 178.111 176.094 0.088 0.000 1.044 433 V CA 1.694 64.065 62.300 0.119 0.000 1.036 433 V CB -0.576 31.298 31.823 0.085 0.000 0.664 433 V HN 0.307 nan 8.190 nan 0.000 0.453 434 N N -0.046 118.682 118.700 0.046 0.000 2.223 434 N HA -0.140 4.600 4.740 0.000 0.000 0.185 434 N C 2.115 177.654 175.510 0.048 0.000 1.016 434 N CA 1.648 54.713 53.050 0.025 0.000 0.863 434 N CB -0.470 38.005 38.487 -0.019 0.000 0.983 434 N HN 0.437 nan 8.380 nan 0.000 0.429 435 S N 0.475 116.222 115.700 0.077 0.000 2.348 435 S HA -0.106 4.364 4.470 0.000 0.000 0.221 435 S C 2.070 176.822 174.600 0.253 0.000 1.033 435 S CA 1.722 60.007 58.200 0.142 0.000 1.010 435 S CB -0.381 62.929 63.200 0.184 0.000 0.891 435 S HN 0.213 nan 8.310 nan 0.000 0.442 436 V N -0.112 119.944 119.914 0.236 0.000 2.626 436 V HA 0.082 4.202 4.120 0.000 0.000 0.252 436 V C 2.014 178.285 176.094 0.294 0.000 1.067 436 V CA 1.559 64.030 62.300 0.285 0.000 1.081 436 V CB -0.892 31.028 31.823 0.162 0.000 0.686 436 V HN 0.289 nan 8.190 nan 0.000 0.468 437 E N 0.768 121.067 120.200 0.165 0.000 2.478 437 E HA -0.126 4.224 4.350 0.000 0.000 0.198 437 E C 2.187 178.811 176.600 0.040 0.000 1.046 437 E CA 0.824 57.285 56.400 0.101 0.000 0.870 437 E CB -0.181 29.555 29.700 0.060 0.000 0.818 437 E HN 0.792 nan 8.360 nan 0.000 0.527 438 Q N -0.564 119.221 119.800 -0.026 0.000 2.224 438 Q HA -0.104 4.236 4.340 0.000 0.000 0.203 438 Q C 0.208 175.984 176.000 -0.373 0.000 0.970 438 Q CA 0.703 56.344 55.803 -0.270 0.000 0.865 438 Q CB -0.071 28.351 28.738 -0.525 0.000 0.922 438 Q HN 0.369 nan 8.270 nan 0.000 0.445 439 Y N 0.811 121.127 120.300 0.026 0.000 2.830 439 Y HA 0.045 4.596 4.550 0.000 0.000 0.371 439 Y C 1.409 177.320 175.900 0.018 0.000 1.246 439 Y CA 0.158 58.272 58.100 0.023 0.000 1.890 439 Y CB -0.418 38.059 38.460 0.028 0.000 1.995 439 Y HN 0.099 nan 8.280 nan 0.000 0.430 440 T N -2.821 111.772 114.554 0.065 0.000 3.067 440 T HA 0.244 4.594 4.350 0.000 0.000 0.257 440 T C 1.147 175.873 174.700 0.044 0.000 1.105 440 T CA 0.135 62.265 62.100 0.050 0.000 1.104 440 T CB -0.030 68.848 68.868 0.017 0.000 0.925 440 T HN 0.405 nan 8.240 nan 0.000 0.498 441 A N 1.960 124.808 122.820 0.046 0.000 2.531 441 A HA 0.460 4.780 4.320 0.000 0.000 0.236 441 A C 0.481 178.094 177.584 0.047 0.000 1.062 441 A CA -0.504 51.557 52.037 0.039 0.000 0.760 441 A CB -0.446 18.579 19.000 0.041 0.000 0.995 441 A HN 0.611 nan 8.150 nan 0.000 0.501 442 L N 1.385 122.626 121.223 0.030 0.000 2.678 442 L HA 0.043 4.383 4.340 0.000 0.000 0.285 442 L C 1.424 178.310 176.870 0.026 0.000 1.233 442 L CA 1.395 56.249 54.840 0.023 0.000 0.920 442 L CB -0.214 41.852 42.059 0.013 0.000 1.176 442 L HN 1.435 nan 8.230 nan 0.000 0.495 443 A N 1.924 124.757 122.820 0.021 0.000 3.614 443 A HA -0.125 4.195 4.320 0.000 0.000 0.246 443 A C 0.912 178.510 177.584 0.022 0.000 1.044 443 A CA 0.516 52.560 52.037 0.012 0.000 1.548 443 A CB -2.304 nan 19.000 nan 0.000 0.974 443 A HN 0.935 nan 8.150 nan 0.000 0.844 444 G N -1.457 107.379 108.800 0.060 0.000 2.653 444 G HA2 0.420 4.380 3.960 0.000 0.000 0.265 444 G HA3 0.420 4.380 3.960 0.000 0.000 0.265 444 G C 0.809 175.747 174.900 0.065 0.000 1.237 444 G CA 0.947 46.104 45.100 0.095 0.000 0.946 444 G HN 0.951 nan 8.290 nan 0.000 0.522 445 T N -0.619 113.968 114.554 0.054 0.000 3.129 445 T HA 0.388 4.738 4.350 0.000 0.000 0.251 445 T C 1.300 176.058 174.700 0.097 0.000 1.117 445 T CA 0.664 62.784 62.100 0.034 0.000 1.034 445 T CB -0.783 68.055 68.868 -0.050 0.000 0.968 445 T HN 0.811 nan 8.240 nan 0.000 0.526 446 A N 1.084 123.995 122.820 0.151 0.000 2.483 446 A HA 0.292 4.612 4.320 0.000 0.000 0.238 446 A C 1.534 179.166 177.584 0.080 0.000 1.070 446 A CA -0.073 52.039 52.037 0.126 0.000 0.770 446 A CB 0.127 19.197 19.000 0.117 0.000 1.008 446 A HN 0.527 nan 8.150 nan 0.000 0.497 447 K N 1.022 121.463 120.400 0.069 0.000 2.074 447 K HA -0.206 4.114 4.320 0.000 0.000 0.209 447 K C 2.192 178.817 176.600 0.042 0.000 1.048 447 K CA 2.180 58.499 56.287 0.053 0.000 0.926 447 K CB -0.186 32.344 32.500 0.051 0.000 0.713 447 K HN 0.900 nan 8.250 nan 0.000 0.444 448 S N -0.389 115.335 115.700 0.040 0.000 2.382 448 S HA -0.157 4.313 4.470 0.000 0.000 0.228 448 S C 2.124 176.741 174.600 0.028 0.000 1.027 448 S CA 1.619 59.838 58.200 0.030 0.000 0.991 448 S CB -0.425 62.791 63.200 0.027 0.000 0.823 448 S HN 0.336 nan 8.310 nan 0.000 0.469 449 S N 0.766 116.487 115.700 0.036 0.000 2.383 449 S HA -0.021 4.449 4.470 0.000 0.000 0.227 449 S C 1.841 176.453 174.600 0.020 0.000 1.026 449 S CA 1.103 59.321 58.200 0.031 0.000 0.981 449 S CB -0.636 62.592 63.200 0.046 0.000 0.818 449 S HN 0.412 nan 8.310 nan 0.000 0.472 450 V N 1.458 121.386 119.914 0.024 0.000 2.343 450 V HA -0.130 3.990 4.120 0.000 0.000 0.247 450 V C 2.673 178.771 176.094 0.007 0.000 1.051 450 V CA 2.293 64.600 62.300 0.012 0.000 1.036 450 V CB -1.289 30.546 31.823 0.020 0.000 0.654 450 V HN 0.548 nan 8.190 nan 0.000 0.451 451 T N -0.656 113.906 114.554 0.014 0.000 2.746 451 T HA -0.190 4.160 4.350 0.000 0.000 0.267 451 T C 1.960 176.663 174.700 0.006 0.000 1.039 451 T CA 2.044 64.151 62.100 0.011 0.000 1.142 451 T CB -0.345 68.533 68.868 0.016 0.000 0.866 451 T HN 0.526 nan 8.240 nan 0.000 0.444 452 T N 2.142 116.700 114.554 0.007 0.000 2.746 452 T HA -0.117 4.233 4.350 0.000 0.000 0.267 452 T C 2.151 176.849 174.700 -0.004 0.000 1.039 452 T CA 1.150 63.252 62.100 0.003 0.000 1.142 452 T CB -0.262 68.609 68.868 0.006 0.000 0.866 452 T HN 0.473 nan 8.240 nan 0.000 0.444 453 Q N 0.127 119.922 119.800 -0.007 0.000 2.084 453 Q HA -0.034 4.306 4.340 0.000 0.000 0.202 453 Q C 2.350 178.338 176.000 -0.021 0.000 0.978 453 Q CA 1.268 57.060 55.803 -0.018 0.000 0.844 453 Q CB -0.362 28.360 28.738 -0.027 0.000 0.898 453 Q HN 0.518 nan 8.270 nan 0.000 0.426 454 I N 0.837 121.397 120.570 -0.017 0.000 2.163 454 I HA -0.300 3.870 4.170 0.000 0.000 0.243 454 I C 2.039 178.149 176.117 -0.011 0.000 1.085 454 I CA 1.382 62.672 61.300 -0.016 0.000 1.347 454 I CB -0.230 37.765 38.000 -0.009 0.000 1.044 454 I HN 0.240 nan 8.210 nan 0.000 0.408 455 E N 0.298 120.494 120.200 -0.006 0.000 2.077 455 E HA -0.262 4.088 4.350 0.000 0.000 0.193 455 E C 2.229 178.825 176.600 -0.007 0.000 0.989 455 E CA 1.076 57.474 56.400 -0.004 0.000 0.800 455 E CB -0.128 29.571 29.700 -0.001 0.000 0.746 455 E HN 0.573 nan 8.360 nan 0.000 0.452 456 Q N 0.160 119.954 119.800 -0.009 0.000 2.050 456 Q HA -0.159 4.181 4.340 0.000 0.000 0.202 456 Q C 2.147 178.139 176.000 -0.013 0.000 0.980 456 Q CA 0.868 56.665 55.803 -0.011 0.000 0.840 456 Q CB -0.014 28.717 28.738 -0.012 0.000 0.898 456 Q HN 0.166 nan 8.270 nan 0.000 0.424 457 L N 0.693 121.905 121.223 -0.018 0.000 2.083 457 L HA -0.153 4.187 4.340 0.000 0.000 0.209 457 L C 2.201 179.062 176.870 -0.014 0.000 1.083 457 L CA 1.686 56.514 54.840 -0.020 0.000 0.752 457 L CB -0.761 41.281 42.059 -0.029 0.000 0.899 457 L HN 0.146 nan 8.230 nan 0.000 0.433 458 R N -0.768 119.725 120.500 -0.011 0.000 2.092 458 R HA -0.185 4.155 4.340 0.000 0.000 0.231 458 R C 2.141 178.437 176.300 -0.006 0.000 1.119 458 R CA 1.082 57.177 56.100 -0.008 0.000 0.970 458 R CB -0.121 30.176 30.300 -0.005 0.000 0.864 458 R HN 0.218 nan 8.270 nan 0.000 0.440 459 E N 1.143 121.339 120.200 -0.006 0.000 2.072 459 E HA -0.124 4.226 4.350 0.000 0.000 0.191 459 E C 1.827 178.424 176.600 -0.006 0.000 0.985 459 E CA 1.202 57.599 56.400 -0.005 0.000 0.801 459 E CB -0.199 29.498 29.700 -0.005 0.000 0.750 459 E HN 0.228 nan 8.360 nan 0.000 0.452 460 L N -0.359 120.860 121.223 -0.007 0.000 2.017 460 L HA -0.194 4.146 4.340 0.000 0.000 0.208 460 L C 2.722 179.589 176.870 -0.005 0.000 1.073 460 L CA 1.508 56.344 54.840 -0.006 0.000 0.745 460 L CB -0.445 41.610 42.059 -0.007 0.000 0.894 460 L HN 0.256 nan 8.230 nan 0.000 0.432 461 M N -0.440 119.157 119.600 -0.005 0.000 2.108 461 M HA -0.266 4.214 4.480 0.000 0.000 0.261 461 M C 2.401 178.698 176.300 -0.006 0.000 1.066 461 M CA 1.750 57.047 55.300 -0.004 0.000 1.107 461 M CB -0.424 32.173 32.600 -0.004 0.000 1.356 461 M HN 0.166 nan 8.290 nan 0.000 0.406 462 K N 0.924 121.320 120.400 -0.006 0.000 2.020 462 K HA -0.222 4.098 4.320 0.000 0.000 0.212 462 K C 1.852 178.448 176.600 -0.008 0.000 1.050 462 K CA 1.754 58.037 56.287 -0.007 0.000 0.929 462 K CB -0.021 32.475 32.500 -0.006 0.000 0.714 462 K HN 0.248 nan 8.250 nan 0.000 0.443 463 K N 0.335 120.731 120.400 -0.007 0.000 2.009 463 K HA -0.195 4.125 4.320 0.000 0.000 0.210 463 K C 2.418 179.012 176.600 -0.010 0.000 1.049 463 K CA 2.050 58.333 56.287 -0.008 0.000 0.929 463 K CB -0.165 32.331 32.500 -0.006 0.000 0.714 463 K HN 0.334 nan 8.250 nan 0.000 0.440 464 Q N 0.784 120.578 119.800 -0.009 0.000 2.096 464 Q HA -0.200 4.140 4.340 0.000 0.000 0.204 464 Q C 2.139 178.129 176.000 -0.016 0.000 0.982 464 Q CA 1.469 57.265 55.803 -0.011 0.000 0.850 464 Q CB -0.128 28.607 28.738 -0.005 0.000 0.901 464 Q HN 0.235 nan 8.270 nan 0.000 0.422 465 K N 1.153 121.544 120.400 -0.015 0.000 2.211 465 K HA -0.134 4.186 4.320 0.000 0.000 0.203 465 K C 0.915 177.501 176.600 -0.023 0.000 1.050 465 K CA 0.892 57.167 56.287 -0.020 0.000 0.945 465 K CB 0.194 32.683 32.500 -0.018 0.000 0.732 465 K HN 0.149 nan 8.250 nan 0.000 0.451 466 E N 0.865 121.054 120.200 -0.018 0.000 2.321 466 E HA -0.039 4.311 4.350 0.000 0.000 0.189 466 E C 0.016 176.604 176.600 -0.020 0.000 1.125 466 E CA -0.025 56.364 56.400 -0.018 0.000 1.005 466 E CB 0.327 30.019 29.700 -0.014 0.000 1.140 466 E HN 0.294 nan 8.360 nan 0.000 0.457 467 Q N 0.000 119.785 119.800 -0.024 0.000 2.315 467 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 467 Q CA 0.000 55.787 55.803 -0.026 0.000 1.022 467 Q CB 0.000 28.723 28.738 -0.024 0.000 1.108 467 Q HN 0.000 nan 8.270 nan 0.000 0.481