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 1u0e_1_A DATA FIRST_RESID 1 DATA SEQUENCE AALTRNPQFQ KLLEWHRANS ANLKLRELFE ADPERFNNFS LNLNTNHGHI DATA SEQUENCE LVDYSKNLVN KEVMQMLVEL AKSRGVEAAR DNMFSGSKIN YTEDRAVLHV DATA SEQUENCE ALRNRSNTPI KVDGKDVMPE VNRVLDKMKS FCQRVRSGDW KGYTGKSITD DATA SEQUENCE IINIGIGGSD LGPLMVTEAL KPYSKGGPRV WFVSNIDGTH IAKTLASLSP DATA SEQUENCE ETSLFIIASK TFTTQETITN AETAKEWFLE AAKDPSAVAK HFVALSTNTA DATA SEQUENCE KVKEFGIDPQ NMLEFWDWVG GRYSLWSAIG LSIALHVGFD HFEQLLSGAH DATA SEQUENCE WMDQHFLKTP LEKNAPVLLA LLGIWYINCY GCETHALLPY DQYMHRFAAY DATA SEQUENCE FQQGDMESNG KYITKSGARV DHQTGPIVWG EPGTNGQHAF YQLIHQGTKM DATA SEQUENCE IPCDFLIPVQ TQHPIRKGLH HKILLANFLA QTEALMKGKL PEEARKELQA DATA SEQUENCE AGKSPEDLEK LLPHKVFEGN RPTNSIVFTK LTPFILGALI AMYEHKIFVQ DATA SEQUENCE GIMWDINSFD QWGVELGKQL AKKIEPELEG SSAVTSHDSS TNGLISFIKQ DATA SEQUENCE QRDTKL 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.635 177.584 0.085 0.000 1.274 1 A CA 0.000 52.096 52.037 0.099 0.000 0.836 1 A CB 0.000 19.110 19.000 0.183 0.000 0.831 2 A N 1.129 123.990 122.820 0.069 0.000 1.908 2 A HA 0.022 4.358 4.320 0.026 0.000 0.218 2 A C 1.943 179.518 177.584 -0.015 0.000 1.181 2 A CA 2.254 54.309 52.037 0.029 0.000 0.627 2 A CB -0.561 18.454 19.000 0.023 0.000 0.818 2 A HN 1.880 nan 8.150 nan 0.000 0.445 3 L N 0.358 121.528 121.223 -0.089 0.000 2.017 3 L HA -0.136 4.220 4.340 0.026 0.000 0.208 3 L C 2.690 179.365 176.870 -0.325 0.000 1.073 3 L CA 2.981 57.628 54.840 -0.321 0.000 0.745 3 L CB -0.902 40.744 42.059 -0.689 0.000 0.894 3 L HN 0.535 nan 8.230 nan 0.000 0.432 4 T N -3.250 111.183 114.554 -0.202 0.000 2.962 4 T HA -0.131 4.235 4.350 0.026 0.000 0.270 4 T C 1.951 176.742 174.700 0.152 0.000 1.088 4 T CA 1.019 63.144 62.100 0.042 0.000 1.127 4 T CB -0.464 68.480 68.868 0.126 0.000 0.883 4 T HN 0.348 nan 8.240 nan 0.000 0.493 5 R N 1.175 121.727 120.500 0.088 0.000 2.275 5 R HA 0.182 4.538 4.340 0.026 0.000 0.199 5 R C 0.840 177.194 176.300 0.090 0.000 0.989 5 R CA -0.124 56.027 56.100 0.086 0.000 1.016 5 R CB -0.049 30.285 30.300 0.058 0.000 0.918 5 R HN 0.357 nan 8.270 nan 0.000 0.473 6 N N 1.887 120.649 118.700 0.103 0.000 2.442 6 N HA 0.005 4.761 4.740 0.026 0.000 0.265 6 N C -1.785 173.814 175.510 0.148 0.000 1.138 6 N CA -1.352 51.762 53.050 0.108 0.000 0.956 6 N CB 1.447 39.988 38.487 0.090 0.000 1.067 6 N HN -0.079 nan 8.380 nan 0.000 0.474 7 P HA -0.103 nan 4.420 nan 0.000 0.219 7 P C 0.647 177.994 177.300 0.079 0.000 1.150 7 P CA 1.214 64.362 63.100 0.080 0.000 0.814 7 P CB 0.546 32.277 31.700 0.052 0.000 0.787 8 Q N -1.202 118.648 119.800 0.083 0.000 2.167 8 Q HA -0.070 4.285 4.340 0.026 0.000 0.202 8 Q C 1.945 178.007 176.000 0.104 0.000 0.970 8 Q CA 1.104 56.949 55.803 0.070 0.000 0.855 8 Q CB -1.214 27.555 28.738 0.051 0.000 0.911 8 Q HN 0.243 nan 8.270 nan 0.000 0.438 9 F N 1.008 120.970 119.950 0.021 0.000 2.163 9 F HA -0.157 4.388 4.527 0.029 0.000 0.297 9 F C 1.828 177.664 175.800 0.061 0.000 1.094 9 F CA 1.390 59.412 58.000 0.036 0.000 1.290 9 F CB -0.049 38.959 39.000 0.013 0.000 1.017 9 F HN 0.048 nan 8.300 nan 0.000 0.483 10 Q N 0.282 120.082 119.800 -0.000 0.000 2.135 10 Q HA -0.256 4.100 4.340 0.026 0.000 0.204 10 Q C 2.259 178.207 176.000 -0.086 0.000 0.981 10 Q CA 1.925 57.684 55.803 -0.072 0.000 0.856 10 Q CB -0.352 28.418 28.738 0.052 0.000 0.902 10 Q HN 0.440 nan 8.270 nan 0.000 0.425 11 K N 0.723 121.109 120.400 -0.023 0.000 2.057 11 K HA -0.181 4.155 4.320 0.026 0.000 0.207 11 K C 2.042 178.673 176.600 0.051 0.000 1.049 11 K CA 0.887 57.190 56.287 0.026 0.000 0.931 11 K CB -0.076 32.445 32.500 0.035 0.000 0.714 11 K HN 0.116 nan 8.250 nan 0.000 0.440 12 L N 1.105 122.313 121.223 -0.025 0.000 2.027 12 L HA -0.134 4.222 4.340 0.026 0.000 0.206 12 L C 2.131 179.059 176.870 0.096 0.000 1.074 12 L CA 1.222 56.089 54.840 0.045 0.000 0.745 12 L CB -0.504 41.559 42.059 0.007 0.000 0.898 12 L HN 0.226 nan 8.230 nan 0.000 0.433 13 L N -0.246 120.837 121.223 -0.233 0.000 2.046 13 L HA -0.187 4.169 4.340 0.026 0.000 0.208 13 L C 2.478 179.357 176.870 0.015 0.000 1.077 13 L CA 2.092 56.800 54.840 -0.219 0.000 0.747 13 L CB -0.870 40.901 42.059 -0.480 0.000 0.896 13 L HN 0.474 nan 8.230 nan 0.000 0.432 14 E N -1.190 119.022 120.200 0.021 0.000 2.072 14 E HA -0.306 4.060 4.350 0.026 0.000 0.191 14 E C 2.068 178.736 176.600 0.113 0.000 0.985 14 E CA 1.741 58.173 56.400 0.052 0.000 0.801 14 E CB -0.812 28.910 29.700 0.038 0.000 0.750 14 E HN 0.543 nan 8.360 nan 0.000 0.452 15 W N 0.358 121.678 121.300 0.033 0.000 2.335 15 W HA -0.251 4.425 4.660 0.026 0.000 0.311 15 W C 2.517 179.106 176.519 0.116 0.000 1.213 15 W CA 2.467 59.854 57.345 0.070 0.000 1.274 15 W CB -0.637 28.872 29.460 0.083 0.000 1.148 15 W HN 0.400 nan 8.180 nan 0.000 0.498 16 H N -0.038 119.324 119.070 0.487 0.000 2.319 16 H HA -0.163 4.410 4.556 0.027 0.000 0.299 16 H C 2.412 177.700 175.328 -0.067 0.000 1.092 16 H CA 2.747 58.948 56.048 0.255 0.000 1.302 16 H CB -0.281 29.450 29.762 -0.051 0.000 1.373 16 H HN 0.011 nan 8.280 nan 0.000 0.497 17 R N -0.204 120.299 120.500 0.005 0.000 2.096 17 R HA -0.137 4.219 4.340 0.026 0.000 0.240 17 R C 2.493 178.679 176.300 -0.190 0.000 1.139 17 R CA 1.272 57.320 56.100 -0.087 0.000 0.952 17 R CB -0.423 29.863 30.300 -0.024 0.000 0.854 17 R HN 0.461 nan 8.270 nan 0.000 0.436 18 A N 0.338 123.019 122.820 -0.232 0.000 2.016 18 A HA -0.060 4.276 4.320 0.026 0.000 0.217 18 A C 1.179 178.524 177.584 -0.399 0.000 1.162 18 A CA 1.282 53.147 52.037 -0.287 0.000 0.662 18 A CB -0.014 18.813 19.000 -0.287 0.000 0.812 18 A HN 0.397 nan 8.150 nan 0.000 0.450 19 N N -1.776 116.574 118.700 -0.584 0.000 2.218 19 N HA -0.021 4.735 4.740 0.026 0.000 0.224 19 N C 1.521 176.773 175.510 -0.430 0.000 1.248 19 N CA 0.662 53.285 53.050 -0.712 0.000 0.875 19 N CB 0.428 37.944 38.487 -1.618 0.000 1.165 19 N HN 0.376 nan 8.380 nan 0.000 0.485 20 S N 0.841 116.334 115.700 -0.344 0.000 2.402 20 S HA -0.028 4.458 4.470 0.026 0.000 0.229 20 S C 2.104 176.687 174.600 -0.029 0.000 1.021 20 S CA 0.862 59.002 58.200 -0.099 0.000 0.974 20 S CB -0.356 62.517 63.200 -0.546 0.000 0.800 20 S HN 0.291 nan 8.310 nan 0.000 0.484 21 A N 2.441 125.190 122.820 -0.119 0.000 2.076 21 A HA -0.093 4.243 4.320 0.026 0.000 0.220 21 A C 1.854 179.442 177.584 0.006 0.000 1.160 21 A CA 1.579 53.593 52.037 -0.037 0.000 0.653 21 A CB -0.935 18.024 19.000 -0.069 0.000 0.801 21 A HN 0.795 nan 8.150 nan 0.000 0.455 22 N N -0.923 117.772 118.700 -0.009 0.000 2.336 22 N HA 0.235 4.991 4.740 0.026 0.000 0.189 22 N C -0.436 175.119 175.510 0.075 0.000 1.113 22 N CA -0.236 52.824 53.050 0.016 0.000 0.858 22 N CB 0.154 38.626 38.487 -0.024 0.000 0.970 22 N HN 0.368 nan 8.380 nan 0.000 0.471 23 L N 1.807 123.110 121.223 0.133 0.000 2.315 23 L HA 0.251 4.607 4.340 0.026 0.000 0.283 23 L C -0.098 176.863 176.870 0.152 0.000 1.089 23 L CA 0.021 54.971 54.840 0.183 0.000 0.833 23 L CB 0.467 42.710 42.059 0.307 0.000 1.170 23 L HN -0.052 nan 8.230 nan 0.000 0.442 24 K N 5.365 125.836 120.400 0.118 0.000 2.579 24 K HA 0.300 4.636 4.320 0.026 0.000 0.250 24 K C 0.553 177.220 176.600 0.111 0.000 0.952 24 K CA -0.509 55.842 56.287 0.107 0.000 0.857 24 K CB 2.329 34.880 32.500 0.085 0.000 1.123 24 K HN 0.502 nan 8.250 nan 0.000 0.433 25 L N 1.291 122.594 121.223 0.133 0.000 2.042 25 L HA -0.150 4.206 4.340 0.026 0.000 0.210 25 L C 2.524 179.552 176.870 0.263 0.000 1.076 25 L CA 1.550 56.504 54.840 0.190 0.000 0.749 25 L CB -0.254 41.935 42.059 0.216 0.000 0.893 25 L HN 0.605 nan 8.230 nan 0.000 0.432 26 R N 0.159 120.768 120.500 0.180 0.000 2.103 26 R HA -0.196 4.160 4.340 0.026 0.000 0.242 26 R C 2.209 178.605 176.300 0.160 0.000 1.142 26 R CA 1.842 58.036 56.100 0.156 0.000 0.960 26 R CB -0.091 30.262 30.300 0.087 0.000 0.858 26 R HN 0.486 nan 8.270 nan 0.000 0.439 27 E N 0.160 120.431 120.200 0.117 0.000 2.107 27 E HA -0.170 4.196 4.350 0.026 0.000 0.191 27 E C 2.157 178.801 176.600 0.074 0.000 0.982 27 E CA 0.896 57.349 56.400 0.087 0.000 0.809 27 E CB -0.089 29.651 29.700 0.067 0.000 0.756 27 E HN 0.347 nan 8.360 nan 0.000 0.459 28 L N 0.066 121.318 121.223 0.049 0.000 2.046 28 L HA -0.173 4.182 4.340 0.026 0.000 0.208 28 L C 2.340 179.146 176.870 -0.107 0.000 1.077 28 L CA 1.248 56.051 54.840 -0.062 0.000 0.747 28 L CB -0.382 41.574 42.059 -0.173 0.000 0.896 28 L HN 0.059 nan 8.230 nan 0.000 0.432 29 F N -0.129 119.828 119.950 0.012 0.000 2.163 29 F HA -0.153 4.389 4.527 0.026 0.000 0.297 29 F C 2.706 178.520 175.800 0.023 0.000 1.094 29 F CA 1.014 59.025 58.000 0.018 0.000 1.290 29 F CB -0.128 38.876 39.000 0.007 0.000 1.017 29 F HN 0.005 nan 8.300 nan 0.000 0.483 30 E N 0.075 120.392 120.200 0.195 0.000 2.153 30 E HA -0.173 4.192 4.350 0.026 0.000 0.194 30 E C 2.231 178.879 176.600 0.081 0.000 0.988 30 E CA 1.141 57.611 56.400 0.117 0.000 0.811 30 E CB -0.427 29.324 29.700 0.086 0.000 0.746 30 E HN 0.366 nan 8.360 nan 0.000 0.466 31 A N 0.660 123.518 122.820 0.064 0.000 2.178 31 A HA -0.050 4.285 4.320 0.026 0.000 0.211 31 A C 0.511 178.119 177.584 0.040 0.000 1.157 31 A CA 0.489 52.553 52.037 0.044 0.000 0.780 31 A CB 0.295 19.315 19.000 0.034 0.000 0.828 31 A HN 0.027 nan 8.150 nan 0.000 0.476 32 D N -1.612 118.813 120.400 0.042 0.000 2.330 32 D HA 0.370 5.026 4.640 0.026 0.000 0.249 32 D C -2.434 173.910 176.300 0.073 0.000 1.306 32 D CA -1.582 52.442 54.000 0.040 0.000 0.956 32 D CB 1.305 42.113 40.800 0.013 0.000 1.261 32 D HN -0.110 nan 8.370 nan 0.000 0.544 33 P HA -0.050 nan 4.420 nan 0.000 0.225 33 P C 0.720 178.093 177.300 0.122 0.000 1.148 33 P CA 0.636 63.800 63.100 0.107 0.000 0.779 33 P CB 0.407 32.153 31.700 0.076 0.000 0.780 34 E N -1.069 119.189 120.200 0.097 0.000 2.489 34 E HA 0.006 4.372 4.350 0.026 0.000 0.193 34 E C 1.797 178.469 176.600 0.121 0.000 1.057 34 E CA 0.025 56.483 56.400 0.096 0.000 0.866 34 E CB -0.232 29.497 29.700 0.047 0.000 0.916 34 E HN 0.282 nan 8.360 nan 0.000 0.500 35 R N 0.035 120.617 120.500 0.136 0.000 2.083 35 R HA -0.184 4.172 4.340 0.026 0.000 0.237 35 R C 2.129 178.568 176.300 0.232 0.000 1.137 35 R CA 1.432 57.609 56.100 0.129 0.000 0.951 35 R CB -0.330 29.820 30.300 -0.251 0.000 0.851 35 R HN 0.165 nan 8.270 nan 0.000 0.434 36 F N 1.519 121.563 119.950 0.157 0.000 2.102 36 F HA -0.182 4.361 4.527 0.026 0.000 0.298 36 F C 1.558 177.391 175.800 0.055 0.000 1.105 36 F CA 2.221 60.306 58.000 0.142 0.000 1.239 36 F CB -0.528 38.563 39.000 0.153 0.000 0.991 36 F HN 0.128 nan 8.300 nan 0.000 0.474 37 N N 0.158 118.851 118.700 -0.011 0.000 2.149 37 N HA -0.237 4.519 4.740 0.026 0.000 0.188 37 N C 1.141 176.499 175.510 -0.253 0.000 1.019 37 N CA 1.642 54.598 53.050 -0.157 0.000 0.857 37 N CB -0.415 38.081 38.487 0.015 0.000 0.997 37 N HN 0.507 nan 8.380 nan 0.000 0.426 38 N N -0.798 117.764 118.700 -0.231 0.000 2.422 38 N HA 0.050 4.806 4.740 0.026 0.000 0.181 38 N C -0.388 174.648 175.510 -0.791 0.000 1.080 38 N CA 0.291 53.074 53.050 -0.446 0.000 0.893 38 N CB 0.378 38.588 38.487 -0.462 0.000 0.973 38 N HN 0.123 nan 8.380 nan 0.000 0.456 39 F N 0.602 120.280 119.950 -0.454 0.000 2.818 39 F HA 0.301 4.844 4.527 0.026 0.000 0.369 39 F C -0.034 174.942 175.800 -1.372 0.000 1.327 39 F CA -0.723 56.725 58.000 -0.920 0.000 1.211 39 F CB 0.542 39.136 39.000 -0.677 0.000 1.036 39 F HN -0.168 nan 8.300 nan 0.000 0.510 40 S N 0.020 115.284 115.700 -0.727 0.000 2.570 40 S HA 0.847 5.332 4.470 0.026 0.000 0.270 40 S C -1.372 173.157 174.600 -0.118 0.000 1.149 40 S CA -0.812 57.121 58.200 -0.444 0.000 0.837 40 S CB 2.070 64.828 63.200 -0.737 0.000 1.124 40 S HN 0.135 nan 8.310 nan 0.000 0.465 41 L N 2.249 123.514 121.223 0.071 0.000 2.381 41 L HA 0.567 4.922 4.340 0.026 0.000 0.274 41 L C -0.785 176.154 176.870 0.115 0.000 0.988 41 L CA -0.748 54.163 54.840 0.118 0.000 0.824 41 L CB 1.956 44.136 42.059 0.202 0.000 1.263 41 L HN 0.755 nan 8.230 nan 0.000 0.410 42 N N 4.805 123.571 118.700 0.112 0.000 2.558 42 N HA 0.397 5.153 4.740 0.026 0.000 0.242 42 N C -1.198 174.412 175.510 0.166 0.000 0.979 42 N CA -0.335 52.814 53.050 0.165 0.000 0.931 42 N CB 0.877 39.471 38.487 0.178 0.000 1.122 42 N HN 0.528 nan 8.380 nan 0.000 0.508 43 L N 2.474 123.775 121.223 0.131 0.000 2.276 43 L HA 0.335 4.691 4.340 0.026 0.000 0.286 43 L C 0.529 177.316 176.870 -0.138 0.000 1.061 43 L CA -0.736 54.149 54.840 0.076 0.000 0.807 43 L CB 0.764 42.867 42.059 0.073 0.000 1.177 43 L HN 0.396 nan 8.230 nan 0.000 0.429 44 N N 1.401 119.979 118.700 -0.204 0.000 2.457 44 N HA 0.118 4.874 4.740 0.026 0.000 0.250 44 N C 0.726 176.032 175.510 -0.341 0.000 0.982 44 N CA -0.349 52.352 53.050 -0.582 0.000 0.941 44 N CB 1.406 39.594 38.487 -0.498 0.000 1.120 44 N HN 0.658 nan 8.380 nan 0.000 0.505 45 T N 0.273 114.466 114.554 -0.602 0.000 3.107 45 T HA 0.099 4.465 4.350 0.026 0.000 0.249 45 T C 0.330 174.772 174.700 -0.430 0.000 1.096 45 T CA -0.007 61.578 62.100 -0.858 0.000 1.012 45 T CB -0.150 68.086 68.868 -1.054 0.000 0.977 45 T HN 0.538 nan 8.240 nan 0.000 0.527 46 N N 0.767 119.233 118.700 -0.390 0.000 2.936 46 N HA -0.157 4.599 4.740 0.026 0.000 0.236 46 N C -0.284 174.721 175.510 -0.841 0.000 0.930 46 N CA 1.617 54.380 53.050 -0.479 0.000 0.966 46 N CB -1.635 36.625 38.487 -0.377 0.000 1.090 46 N HN 0.667 nan 8.380 nan 0.000 0.592 47 H N -0.876 117.927 119.070 -0.445 0.000 2.637 47 H HA 0.587 5.159 4.556 0.027 0.000 0.245 47 H C 1.141 176.294 175.328 -0.292 0.000 1.190 47 H CA 0.528 56.276 56.048 -0.500 0.000 0.934 47 H CB 0.374 29.467 29.762 -1.114 0.000 1.950 47 H HN 0.447 nan 8.280 nan 0.000 0.614 48 G N 0.507 109.237 108.800 -0.117 0.000 2.428 48 G HA2 -0.095 3.880 3.960 0.026 0.000 0.681 48 G HA3 -0.095 3.880 3.960 0.026 0.000 0.681 48 G C -1.388 173.499 174.900 -0.023 0.000 1.340 48 G CA -1.025 44.091 45.100 0.027 0.000 0.915 48 G HN 0.363 nan 8.290 nan 0.000 0.645 49 H N -0.556 118.511 119.070 -0.005 0.000 2.499 49 H HA 0.630 5.202 4.556 0.026 0.000 0.340 49 H C -0.119 175.251 175.328 0.070 0.000 1.148 49 H CA -0.260 55.790 56.048 0.004 0.000 1.215 49 H CB 1.936 31.717 29.762 0.031 0.000 1.529 49 H HN 0.385 nan 8.280 nan 0.000 0.510 50 I N 3.696 124.351 120.570 0.142 0.000 2.410 50 I HA 0.056 4.242 4.170 0.026 0.000 0.286 50 I C -0.766 175.472 176.117 0.203 0.000 1.009 50 I CA -0.724 60.695 61.300 0.198 0.000 1.111 50 I CB 1.813 39.876 38.000 0.105 0.000 1.262 50 I HN 0.141 nan 8.210 nan 0.000 0.443 51 L N 8.756 130.125 121.223 0.243 0.000 2.265 51 L HA 0.498 4.854 4.340 0.026 0.000 0.289 51 L C -0.656 176.367 176.870 0.255 0.000 1.033 51 L CA -0.220 54.761 54.840 0.233 0.000 0.814 51 L CB 1.359 43.566 42.059 0.246 0.000 1.203 51 L HN 0.330 nan 8.230 nan 0.000 0.423 52 V N 4.866 124.920 119.914 0.233 0.000 2.294 52 V HA 0.300 4.436 4.120 0.026 0.000 0.272 52 V C -0.464 175.808 176.094 0.296 0.000 1.027 52 V CA -0.571 61.892 62.300 0.270 0.000 0.823 52 V CB 0.892 32.859 31.823 0.240 0.000 1.030 52 V HN 0.745 nan 8.190 nan 0.000 0.457 53 D N 4.335 124.913 120.400 0.296 0.000 2.412 53 D HA 0.217 4.873 4.640 0.026 0.000 0.224 53 D C 0.209 176.678 176.300 0.281 0.000 1.093 53 D CA -0.549 53.592 54.000 0.235 0.000 0.850 53 D CB 0.915 41.929 40.800 0.357 0.000 1.046 53 D HN 0.631 nan 8.370 nan 0.000 0.507 54 Y N 1.527 121.940 120.300 0.189 0.000 2.607 54 Y HA 0.226 4.792 4.550 0.027 0.000 0.266 54 Y C 1.622 177.636 175.900 0.190 0.000 1.178 54 Y CA -0.184 58.034 58.100 0.196 0.000 1.226 54 Y CB -0.372 38.197 38.460 0.182 0.000 1.144 54 Y HN 0.220 nan 8.280 nan 0.000 0.528 55 S N 0.563 116.290 115.700 0.045 0.000 2.402 55 S HA -0.119 4.367 4.470 0.026 0.000 0.229 55 S C 1.187 175.875 174.600 0.147 0.000 1.021 55 S CA 0.585 58.805 58.200 0.033 0.000 0.974 55 S CB -0.339 62.990 63.200 0.214 0.000 0.800 55 S HN 0.519 nan 8.310 nan 0.000 0.484 56 K N 2.007 122.585 120.400 0.298 0.000 2.790 56 K HA 0.233 4.569 4.320 0.026 0.000 0.229 56 K C -0.330 176.395 176.600 0.209 0.000 1.040 56 K CA -0.087 56.381 56.287 0.302 0.000 1.211 56 K CB -0.283 32.308 32.500 0.153 0.000 1.002 56 K HN 0.397 nan 8.250 nan 0.000 0.479 57 N N 0.854 119.666 118.700 0.187 0.000 2.443 57 N HA 0.226 4.981 4.740 0.026 0.000 0.293 57 N C -0.163 175.473 175.510 0.210 0.000 1.159 57 N CA -0.529 52.686 53.050 0.275 0.000 0.904 57 N CB 1.449 40.148 38.487 0.353 0.000 1.214 57 N HN 0.012 nan 8.380 nan 0.000 0.513 58 L N 1.969 123.424 121.223 0.388 0.000 2.416 58 L HA 0.145 4.501 4.340 0.026 0.000 0.243 58 L C -0.034 177.073 176.870 0.395 0.000 1.373 58 L CA -0.297 54.782 54.840 0.398 0.000 1.227 58 L CB -0.679 41.683 42.059 0.504 0.000 1.428 58 L HN 0.223 nan 8.230 nan 0.000 0.425 59 V N -1.607 118.338 119.914 0.051 0.000 3.114 59 V HA 0.755 4.891 4.120 0.026 0.000 0.308 59 V C -0.854 175.082 176.094 -0.263 0.000 1.168 59 V CA -0.866 61.332 62.300 -0.171 0.000 1.015 59 V CB 2.243 33.908 31.823 -0.262 0.000 1.050 59 V HN 0.464 nan 8.190 nan 0.000 0.433 60 N N 0.557 119.134 118.700 -0.204 0.000 3.167 60 N HA 0.431 5.187 4.740 0.026 0.000 0.323 60 N C 0.564 176.136 175.510 0.103 0.000 1.478 60 N CA -0.466 52.541 53.050 -0.070 0.000 0.753 60 N CB 1.198 39.681 38.487 -0.006 0.000 1.721 60 N HN 0.768 nan 8.380 nan 0.000 0.618 61 K N -0.124 120.404 120.400 0.214 0.000 2.044 61 K HA -0.232 4.104 4.320 0.026 0.000 0.210 61 K C 0.962 177.519 176.600 -0.072 0.000 1.049 61 K CA 2.098 58.437 56.287 0.087 0.000 0.927 61 K CB -0.149 32.371 32.500 0.033 0.000 0.713 61 K HN 0.576 nan 8.250 nan 0.000 0.443 62 E N 0.099 120.213 120.200 -0.144 0.000 2.051 62 E HA -0.153 4.213 4.350 0.026 0.000 0.192 62 E C 1.998 178.316 176.600 -0.470 0.000 0.991 62 E CA 1.434 57.670 56.400 -0.274 0.000 0.799 62 E CB -0.151 29.383 29.700 -0.277 0.000 0.748 62 E HN 0.082 nan 8.360 nan 0.000 0.449 63 V N 0.885 120.419 119.914 -0.633 0.000 2.287 63 V HA -0.290 3.846 4.120 0.026 0.000 0.248 63 V C 2.159 177.930 176.094 -0.539 0.000 1.053 63 V CA 1.580 63.389 62.300 -0.818 0.000 1.027 63 V CB -0.422 30.789 31.823 -1.020 0.000 0.646 63 V HN 0.322 nan 8.190 nan 0.000 0.447 64 M N -0.647 118.762 119.600 -0.319 0.000 2.117 64 M HA -0.180 4.315 4.480 0.026 0.000 0.262 64 M C 2.227 178.420 176.300 -0.178 0.000 1.065 64 M CA 1.581 56.768 55.300 -0.188 0.000 1.114 64 M CB -1.320 31.276 32.600 -0.005 0.000 1.361 64 M HN 0.412 nan 8.290 nan 0.000 0.408 65 Q N -0.466 119.229 119.800 -0.175 0.000 2.061 65 Q HA -0.134 4.221 4.340 0.026 0.000 0.204 65 Q C 2.163 178.069 176.000 -0.156 0.000 0.984 65 Q CA 1.534 57.249 55.803 -0.146 0.000 0.846 65 Q CB -0.164 28.494 28.738 -0.133 0.000 0.902 65 Q HN 0.488 nan 8.270 nan 0.000 0.421 66 M N -0.016 119.454 119.600 -0.217 0.000 2.159 66 M HA -0.182 4.314 4.480 0.026 0.000 0.263 66 M C 2.069 178.287 176.300 -0.137 0.000 1.063 66 M CA 1.269 56.459 55.300 -0.184 0.000 1.110 66 M CB -0.165 32.281 32.600 -0.257 0.000 1.374 66 M HN 0.245 nan 8.290 nan 0.000 0.411 67 L N -0.810 120.305 121.223 -0.179 0.000 2.027 67 L HA -0.181 4.174 4.340 0.026 0.000 0.206 67 L C 2.402 179.218 176.870 -0.090 0.000 1.074 67 L CA 0.872 55.638 54.840 -0.123 0.000 0.745 67 L CB -0.623 41.331 42.059 -0.174 0.000 0.898 67 L HN 0.101 nan 8.230 nan 0.000 0.433 68 V N -0.157 119.695 119.914 -0.103 0.000 2.332 68 V HA -0.255 3.881 4.120 0.026 0.000 0.248 68 V C 2.516 178.572 176.094 -0.064 0.000 1.055 68 V CA 1.691 63.942 62.300 -0.081 0.000 1.038 68 V CB -0.578 31.194 31.823 -0.085 0.000 0.651 68 V HN 0.476 nan 8.190 nan 0.000 0.450 69 E N -0.039 120.123 120.200 -0.064 0.000 2.118 69 E HA -0.250 4.116 4.350 0.026 0.000 0.195 69 E C 2.173 178.757 176.600 -0.026 0.000 0.992 69 E CA 1.282 57.655 56.400 -0.045 0.000 0.804 69 E CB -0.419 29.255 29.700 -0.044 0.000 0.741 69 E HN 0.486 nan 8.360 nan 0.000 0.458 70 L N 1.181 122.394 121.223 -0.017 0.000 2.056 70 L HA -0.056 4.299 4.340 0.026 0.000 0.207 70 L C 2.288 179.149 176.870 -0.015 0.000 1.078 70 L CA 1.953 56.800 54.840 0.010 0.000 0.749 70 L CB -0.750 41.341 42.059 0.053 0.000 0.901 70 L HN 0.038 nan 8.230 nan 0.000 0.433 71 A N -0.545 122.255 122.820 -0.034 0.000 1.902 71 A HA -0.237 4.099 4.320 0.026 0.000 0.217 71 A C 2.324 179.887 177.584 -0.036 0.000 1.181 71 A CA 1.978 53.989 52.037 -0.043 0.000 0.623 71 A CB -0.504 18.470 19.000 -0.043 0.000 0.818 71 A HN 0.504 nan 8.150 nan 0.000 0.443 72 K N -0.460 119.918 120.400 -0.036 0.000 2.009 72 K HA -0.136 4.200 4.320 0.026 0.000 0.210 72 K C 2.429 179.013 176.600 -0.027 0.000 1.049 72 K CA 1.589 57.855 56.287 -0.036 0.000 0.929 72 K CB -0.288 32.188 32.500 -0.040 0.000 0.714 72 K HN 0.447 nan 8.250 nan 0.000 0.440 73 S N 0.447 116.136 115.700 -0.019 0.000 2.447 73 S HA -0.066 4.420 4.470 0.026 0.000 0.233 73 S C 1.619 176.212 174.600 -0.011 0.000 1.006 73 S CA 0.849 59.044 58.200 -0.009 0.000 0.957 73 S CB 0.017 63.220 63.200 0.004 0.000 0.773 73 S HN 0.154 nan 8.310 nan 0.000 0.507 74 R N 0.286 120.774 120.500 -0.020 0.000 2.317 74 R HA 0.208 4.564 4.340 0.026 0.000 0.208 74 R C 1.436 177.720 176.300 -0.027 0.000 0.914 74 R CA 0.646 56.729 56.100 -0.029 0.000 1.060 74 R CB -0.700 29.568 30.300 -0.054 0.000 1.015 74 R HN 0.511 nan 8.270 nan 0.000 0.498 75 G N 0.900 109.687 108.800 -0.022 0.000 2.182 75 G HA2 -0.247 3.729 3.960 0.026 0.000 0.248 75 G HA3 -0.247 3.729 3.960 0.026 0.000 0.248 75 G C 0.857 175.756 174.900 -0.002 0.000 1.042 75 G CA 0.324 45.416 45.100 -0.013 0.000 0.775 75 G HN 0.178 nan 8.290 nan 0.000 0.501 76 V N -0.265 119.645 119.914 -0.007 0.000 2.332 76 V HA -0.198 3.938 4.120 0.026 0.000 0.248 76 V C 2.615 178.747 176.094 0.064 0.000 1.055 76 V CA 2.892 65.210 62.300 0.031 0.000 1.038 76 V CB -0.372 31.469 31.823 0.031 0.000 0.651 76 V HN 0.671 nan 8.190 nan 0.000 0.450 77 E N -0.027 120.164 120.200 -0.014 0.000 2.072 77 E HA -0.138 4.228 4.350 0.026 0.000 0.191 77 E C 2.327 178.888 176.600 -0.064 0.000 0.985 77 E CA 1.190 57.540 56.400 -0.084 0.000 0.801 77 E CB -0.321 29.306 29.700 -0.121 0.000 0.750 77 E HN 0.596 nan 8.360 nan 0.000 0.452 78 A N 1.406 124.211 122.820 -0.025 0.000 1.930 78 A HA -0.088 4.248 4.320 0.026 0.000 0.217 78 A C 2.357 179.973 177.584 0.054 0.000 1.175 78 A CA 1.591 53.623 52.037 -0.009 0.000 0.627 78 A CB -0.541 18.455 19.000 -0.006 0.000 0.815 78 A HN 0.288 nan 8.150 nan 0.000 0.443 79 A N -0.216 122.677 122.820 0.121 0.000 1.898 79 A HA -0.146 4.190 4.320 0.026 0.000 0.216 79 A C 2.261 180.103 177.584 0.430 0.000 1.181 79 A CA 1.632 53.824 52.037 0.258 0.000 0.620 79 A CB -0.528 18.611 19.000 0.233 0.000 0.819 79 A HN 0.553 nan 8.150 nan 0.000 0.442 80 R N -0.118 120.620 120.500 0.397 0.000 2.080 80 R HA -0.201 4.155 4.340 0.026 0.000 0.236 80 R C 1.428 177.739 176.300 0.019 0.000 1.137 80 R CA 2.119 58.329 56.100 0.183 0.000 0.943 80 R CB -0.538 29.690 30.300 -0.119 0.000 0.846 80 R HN 0.440 nan 8.270 nan 0.000 0.431 81 D N 0.211 120.559 120.400 -0.086 0.000 2.123 81 D HA -0.155 4.500 4.640 0.026 0.000 0.196 81 D C 1.595 177.890 176.300 -0.008 0.000 0.992 81 D CA 1.486 55.420 54.000 -0.111 0.000 0.833 81 D CB -0.580 40.136 40.800 -0.141 0.000 0.954 81 D HN 0.466 nan 8.370 nan 0.000 0.455 82 N N 0.047 118.765 118.700 0.031 0.000 2.120 82 N HA -0.135 4.621 4.740 0.026 0.000 0.188 82 N C 1.892 177.408 175.510 0.010 0.000 1.024 82 N CA 0.801 53.871 53.050 0.034 0.000 0.852 82 N CB -0.116 38.416 38.487 0.075 0.000 1.003 82 N HN 0.112 nan 8.380 nan 0.000 0.424 83 M N 0.208 119.822 119.600 0.023 0.000 2.073 83 M HA -0.197 4.298 4.480 0.026 0.000 0.258 83 M C 1.243 177.418 176.300 -0.208 0.000 1.070 83 M CA 1.778 56.990 55.300 -0.147 0.000 1.103 83 M CB -0.138 32.264 32.600 -0.330 0.000 1.321 83 M HN 0.066 nan 8.290 nan 0.000 0.405 84 F N 0.343 120.125 119.950 -0.279 0.000 2.365 84 F HA -0.125 4.419 4.527 0.029 0.000 0.300 84 F C 2.632 178.291 175.800 -0.236 0.000 1.090 84 F CA 1.564 59.401 58.000 -0.272 0.000 1.408 84 F CB -0.461 38.381 39.000 -0.264 0.000 1.060 84 F HN 0.387 nan 8.300 nan 0.000 0.534 85 S N -1.337 114.344 115.700 -0.032 0.000 2.556 85 S HA 0.400 4.885 4.470 0.026 0.000 0.216 85 S C 1.596 176.112 174.600 -0.140 0.000 0.970 85 S CA 0.289 58.440 58.200 -0.081 0.000 0.912 85 S CB 0.121 63.285 63.200 -0.060 0.000 0.790 85 S HN 0.509 nan 8.310 nan 0.000 0.504 86 G N 0.854 109.540 108.800 -0.189 0.000 2.132 86 G HA2 -0.234 3.742 3.960 0.026 0.000 0.234 86 G HA3 -0.234 3.742 3.960 0.026 0.000 0.234 86 G C 0.071 174.883 174.900 -0.146 0.000 0.989 86 G CA 0.003 44.962 45.100 -0.236 0.000 0.676 86 G HN 0.587 nan 8.290 nan 0.000 0.522 87 S N 0.024 115.671 115.700 -0.089 0.000 2.568 87 S HA 0.291 4.777 4.470 0.026 0.000 0.282 87 S C 0.881 175.474 174.600 -0.012 0.000 1.338 87 S CA 0.103 58.284 58.200 -0.031 0.000 1.045 87 S CB 0.763 63.964 63.200 0.003 0.000 0.873 87 S HN 0.404 nan 8.310 nan 0.000 0.516 88 K N 2.528 122.947 120.400 0.032 0.000 2.278 88 K HA 0.135 4.470 4.320 0.026 0.000 0.237 88 K C 1.020 177.695 176.600 0.126 0.000 1.229 88 K CA -0.016 56.312 56.287 0.069 0.000 1.155 88 K CB -0.566 31.986 32.500 0.086 0.000 1.590 88 K HN 0.597 nan 8.250 nan 0.000 0.290 89 I N -2.316 118.324 120.570 0.117 0.000 3.251 89 I HA -0.024 4.162 4.170 0.026 0.000 0.277 89 I C 0.669 176.936 176.117 0.251 0.000 1.268 89 I CA 0.124 61.558 61.300 0.224 0.000 1.449 89 I CB -0.034 38.103 38.000 0.228 0.000 1.083 89 I HN 0.122 nan 8.210 nan 0.000 0.464 90 N N 1.849 120.634 118.700 0.142 0.000 2.739 90 N HA -0.028 4.728 4.740 0.026 0.000 0.266 90 N C 0.658 176.215 175.510 0.079 0.000 1.168 90 N CA -0.283 52.821 53.050 0.091 0.000 1.055 90 N CB -0.127 38.432 38.487 0.120 0.000 1.393 90 N HN 0.567 nan 8.380 nan 0.000 0.514 91 Y N 0.356 120.780 120.300 0.207 0.000 2.373 91 Y HA -0.005 4.565 4.550 0.034 0.000 0.293 91 Y C 2.166 178.180 175.900 0.189 0.000 1.129 91 Y CA 0.998 59.199 58.100 0.168 0.000 1.226 91 Y CB -0.896 37.647 38.460 0.138 0.000 1.000 91 Y HN 0.305 nan 8.280 nan 0.000 0.549 92 T N -1.974 112.687 114.554 0.179 0.000 2.951 92 T HA -0.065 4.301 4.350 0.026 0.000 0.268 92 T C 1.267 176.207 174.700 0.399 0.000 1.073 92 T CA 1.373 63.682 62.100 0.347 0.000 1.134 92 T CB -0.255 68.927 68.868 0.524 0.000 0.884 92 T HN 0.560 nan 8.240 nan 0.000 0.479 93 E N 0.590 120.963 120.200 0.288 0.000 2.481 93 E HA 0.129 4.495 4.350 0.026 0.000 0.198 93 E C -0.186 176.526 176.600 0.186 0.000 1.027 93 E CA -0.029 56.519 56.400 0.247 0.000 0.900 93 E CB 0.190 29.966 29.700 0.127 0.000 0.993 93 E HN 0.449 nan 8.360 nan 0.000 0.482 94 D N 1.542 122.052 120.400 0.184 0.000 2.812 94 D HA -0.198 4.458 4.640 0.026 0.000 0.237 94 D C -0.954 175.430 176.300 0.140 0.000 1.162 94 D CA 0.822 54.917 54.000 0.159 0.000 0.740 94 D CB -0.577 40.309 40.800 0.143 0.000 1.000 94 D HN 0.099 nan 8.370 nan 0.000 0.416 95 R N 0.010 120.594 120.500 0.139 0.000 2.725 95 R HA 0.823 5.179 4.340 0.026 0.000 0.277 95 R C 0.044 176.416 176.300 0.120 0.000 0.987 95 R CA -0.495 55.694 56.100 0.148 0.000 0.901 95 R CB 1.618 32.012 30.300 0.156 0.000 1.207 95 R HN 0.173 nan 8.270 nan 0.000 0.463 96 A N 1.270 124.167 122.820 0.128 0.000 2.346 96 A HA 0.422 4.758 4.320 0.026 0.000 0.255 96 A C -0.370 177.230 177.584 0.026 0.000 1.113 96 A CA -0.192 51.858 52.037 0.021 0.000 0.798 96 A CB 0.588 19.522 19.000 -0.110 0.000 1.073 96 A HN 0.362 nan 8.150 nan 0.000 0.502 97 V N 1.125 120.940 119.914 -0.164 0.000 2.439 97 V HA 0.299 4.435 4.120 0.026 0.000 0.277 97 V C -0.327 175.520 176.094 -0.413 0.000 1.008 97 V CA 0.110 62.225 62.300 -0.308 0.000 0.846 97 V CB 0.666 32.027 31.823 -0.770 0.000 1.031 97 V HN 0.705 nan 8.190 nan 0.000 0.441 98 L N 4.757 125.878 121.223 -0.171 0.000 3.291 98 L HA 0.292 4.648 4.340 0.026 0.000 0.307 98 L C 1.865 178.685 176.870 -0.083 0.000 1.303 98 L CA -0.245 54.398 54.840 -0.328 0.000 0.949 98 L CB 0.156 41.810 42.059 -0.674 0.000 1.375 98 L HN 0.810 nan 8.230 nan 0.000 0.596 99 H N -0.577 118.508 119.070 0.024 0.000 2.457 99 H HA -0.108 4.463 4.556 0.026 0.000 0.297 99 H C 1.933 177.187 175.328 -0.123 0.000 1.092 99 H CA 1.670 57.769 56.048 0.085 0.000 1.309 99 H CB -0.628 29.224 29.762 0.151 0.000 1.382 99 H HN 0.426 nan 8.280 nan 0.000 0.535 100 V N -0.468 119.130 119.914 -0.526 0.000 2.594 100 V HA -0.023 4.113 4.120 0.026 0.000 0.253 100 V C 2.749 178.682 176.094 -0.269 0.000 1.069 100 V CA 1.294 63.321 62.300 -0.455 0.000 1.082 100 V CB -1.117 30.205 31.823 -0.836 0.000 0.680 100 V HN 0.493 nan 8.190 nan 0.000 0.469 101 A N 0.700 123.372 122.820 -0.246 0.000 1.968 101 A HA 0.101 4.436 4.320 0.026 0.000 0.217 101 A C 2.182 179.764 177.584 -0.003 0.000 1.169 101 A CA 1.639 53.572 52.037 -0.173 0.000 0.638 101 A CB -0.564 18.230 19.000 -0.343 0.000 0.812 101 A HN 0.572 nan 8.150 nan 0.000 0.446 102 L N -0.160 121.143 121.223 0.133 0.000 2.127 102 L HA -0.164 4.191 4.340 0.026 0.000 0.211 102 L C 2.376 179.334 176.870 0.147 0.000 1.089 102 L CA 1.602 56.598 54.840 0.260 0.000 0.757 102 L CB -0.383 41.920 42.059 0.408 0.000 0.899 102 L HN 0.544 nan 8.230 nan 0.000 0.434 103 R N -0.278 120.232 120.500 0.017 0.000 2.546 103 R HA 0.064 4.420 4.340 0.026 0.000 0.320 103 R C 0.088 176.324 176.300 -0.108 0.000 1.021 103 R CA -0.090 55.980 56.100 -0.050 0.000 1.088 103 R CB -0.945 29.260 30.300 -0.157 0.000 1.278 103 R HN 0.295 nan 8.270 nan 0.000 0.557 104 N N 2.108 120.744 118.700 -0.107 0.000 2.605 104 N HA 0.002 4.758 4.740 0.026 0.000 0.282 104 N C 0.263 175.555 175.510 -0.363 0.000 1.206 104 N CA -0.339 52.592 53.050 -0.199 0.000 1.074 104 N CB 0.502 38.939 38.487 -0.083 0.000 1.434 104 N HN 0.066 nan 8.380 nan 0.000 0.506 105 R N 0.668 120.716 120.500 -0.753 0.000 2.189 105 R HA -0.095 4.261 4.340 0.026 0.000 0.223 105 R C 2.185 178.318 176.300 -0.279 0.000 1.092 105 R CA 0.833 56.669 56.100 -0.440 0.000 0.989 105 R CB -0.806 29.269 30.300 -0.374 0.000 0.876 105 R HN 0.595 nan 8.270 nan 0.000 0.457 106 S N 0.900 116.412 115.700 -0.314 0.000 2.447 106 S HA -0.106 4.380 4.470 0.026 0.000 0.233 106 S C 0.739 175.316 174.600 -0.039 0.000 1.006 106 S CA 0.556 58.726 58.200 -0.050 0.000 0.957 106 S CB -0.168 63.085 63.200 0.089 0.000 0.773 106 S HN 0.288 nan 8.310 nan 0.000 0.507 107 N N 0.776 119.434 118.700 -0.069 0.000 2.778 107 N HA -0.126 4.630 4.740 0.026 0.000 0.249 107 N C -0.636 174.853 175.510 -0.034 0.000 1.069 107 N CA 1.386 54.409 53.050 -0.045 0.000 0.831 107 N CB -2.412 36.060 38.487 -0.025 0.000 1.142 107 N HN 0.557 nan 8.380 nan 0.000 0.573 108 T N 2.312 116.852 114.554 -0.023 0.000 2.934 108 T HA 0.159 4.525 4.350 0.026 0.000 0.306 108 T C -2.107 172.564 174.700 -0.048 0.000 1.042 108 T CA -0.266 61.819 62.100 -0.025 0.000 1.145 108 T CB 0.759 69.621 68.868 -0.009 0.000 0.982 108 T HN 0.037 nan 8.240 nan 0.000 0.544 109 P HA 0.288 nan 4.420 nan 0.000 0.268 109 P C -0.631 176.607 177.300 -0.103 0.000 1.205 109 P CA -0.018 63.035 63.100 -0.078 0.000 0.771 109 P CB 0.331 31.991 31.700 -0.066 0.000 0.858 110 I N 2.909 123.389 120.570 -0.149 0.000 2.468 110 I HA 0.297 4.483 4.170 0.026 0.000 0.285 110 I C 0.209 176.186 176.117 -0.233 0.000 1.039 110 I CA -0.695 60.485 61.300 -0.200 0.000 1.074 110 I CB 1.731 39.570 38.000 -0.270 0.000 1.228 110 I HN 0.071 nan 8.210 nan 0.000 0.436 111 K N 5.300 125.585 120.400 -0.192 0.000 2.185 111 K HA 0.676 5.012 4.320 0.026 0.000 0.269 111 K C -1.018 175.464 176.600 -0.196 0.000 0.987 111 K CA -0.695 55.490 56.287 -0.170 0.000 0.865 111 K CB 2.636 35.070 32.500 -0.109 0.000 1.090 111 K HN 0.263 nan 8.250 nan 0.000 0.450 112 V N 3.499 123.300 119.914 -0.188 0.000 2.448 112 V HA 0.088 4.223 4.120 0.026 0.000 0.295 112 V C -0.417 175.648 176.094 -0.048 0.000 1.025 112 V CA -0.664 61.553 62.300 -0.137 0.000 0.859 112 V CB 1.434 33.153 31.823 -0.173 0.000 0.988 112 V HN 0.883 nan 8.190 nan 0.000 0.431 113 D N 4.265 124.651 120.400 -0.023 0.000 2.699 113 D HA -0.188 4.468 4.640 0.026 0.000 0.239 113 D C 1.294 177.587 176.300 -0.011 0.000 1.136 113 D CA 1.496 55.496 54.000 0.000 0.000 0.668 113 D CB -1.013 39.804 40.800 0.028 0.000 1.060 113 D HN 1.431 nan 8.370 nan 0.000 0.429 114 G N -0.113 108.671 108.800 -0.028 0.000 2.175 114 G HA2 -0.375 3.601 3.960 0.026 0.000 0.265 114 G HA3 -0.375 3.601 3.960 0.026 0.000 0.265 114 G C 0.292 175.171 174.900 -0.035 0.000 0.979 114 G CA 0.951 46.033 45.100 -0.030 0.000 0.663 114 G HN 0.605 nan 8.290 nan 0.000 0.533 115 K N 0.437 120.810 120.400 -0.045 0.000 2.426 115 K HA 0.408 4.744 4.320 0.026 0.000 0.254 115 K C -0.993 175.557 176.600 -0.084 0.000 0.936 115 K CA -0.911 55.347 56.287 -0.047 0.000 0.801 115 K CB 1.074 33.560 32.500 -0.022 0.000 1.139 115 K HN 0.018 nan 8.250 nan 0.000 0.424 116 D N 3.093 123.443 120.400 -0.082 0.000 2.450 116 D HA -0.045 4.610 4.640 0.026 0.000 0.247 116 D C 1.087 177.306 176.300 -0.134 0.000 1.162 116 D CA -0.034 53.899 54.000 -0.111 0.000 0.879 116 D CB 1.369 42.120 40.800 -0.082 0.000 1.163 116 D HN 0.329 nan 8.370 nan 0.000 0.472 117 V N 2.150 121.937 119.914 -0.211 0.000 3.235 117 V HA -0.071 4.065 4.120 0.026 0.000 0.259 117 V C 1.973 177.942 176.094 -0.208 0.000 1.133 117 V CA 0.245 62.392 62.300 -0.255 0.000 1.128 117 V CB -0.338 31.205 31.823 -0.466 0.000 0.757 117 V HN 0.415 nan 8.190 nan 0.000 0.469 118 M N 0.855 120.363 119.600 -0.153 0.000 2.117 118 M HA 0.040 4.536 4.480 0.026 0.000 0.262 118 M C 0.241 176.517 176.300 -0.040 0.000 1.065 118 M CA 1.488 56.733 55.300 -0.092 0.000 1.114 118 M CB -2.595 29.960 32.600 -0.075 0.000 1.361 118 M HN 0.322 nan 8.290 nan 0.000 0.408 119 P HA -0.164 nan 4.420 nan 0.000 0.215 119 P C 1.487 178.810 177.300 0.038 0.000 1.157 119 P CA 1.243 64.348 63.100 0.007 0.000 0.874 119 P CB -0.087 31.614 31.700 0.003 0.000 0.790 120 E N -0.671 119.533 120.200 0.005 0.000 2.106 120 E HA -0.084 4.282 4.350 0.026 0.000 0.192 120 E C 2.128 178.838 176.600 0.184 0.000 0.984 120 E CA 0.780 57.234 56.400 0.090 0.000 0.806 120 E CB -0.932 28.791 29.700 0.038 0.000 0.750 120 E HN 0.062 nan 8.360 nan 0.000 0.458 121 V N 2.575 122.494 119.914 0.008 0.000 2.255 121 V HA -0.284 3.852 4.120 0.026 0.000 0.247 121 V C 1.972 178.234 176.094 0.280 0.000 1.051 121 V CA 1.896 64.328 62.300 0.220 0.000 1.018 121 V CB -0.533 31.367 31.823 0.129 0.000 0.641 121 V HN 0.221 nan 8.190 nan 0.000 0.445 122 N N -0.188 118.616 118.700 0.172 0.000 2.188 122 N HA -0.143 4.613 4.740 0.026 0.000 0.184 122 N C 1.950 177.560 175.510 0.168 0.000 1.018 122 N CA 1.234 54.382 53.050 0.164 0.000 0.858 122 N CB -0.484 38.065 38.487 0.103 0.000 0.989 122 N HN 0.473 nan 8.380 nan 0.000 0.426 123 R N 1.074 121.673 120.500 0.165 0.000 2.083 123 R HA -0.076 4.280 4.340 0.026 0.000 0.237 123 R C 1.725 178.128 176.300 0.172 0.000 1.137 123 R CA 1.255 57.446 56.100 0.151 0.000 0.951 123 R CB -0.215 30.175 30.300 0.151 0.000 0.851 123 R HN -0.022 nan 8.270 nan 0.000 0.434 124 V N 1.525 121.592 119.914 0.256 0.000 2.358 124 V HA -0.233 3.903 4.120 0.026 0.000 0.246 124 V C 2.462 178.684 176.094 0.212 0.000 1.047 124 V CA 1.591 64.030 62.300 0.231 0.000 1.035 124 V CB -0.418 31.583 31.823 0.297 0.000 0.658 124 V HN 0.334 nan 8.190 nan 0.000 0.452 125 L N -0.131 121.261 121.223 0.282 0.000 2.042 125 L HA -0.220 4.136 4.340 0.026 0.000 0.210 125 L C 2.412 179.363 176.870 0.135 0.000 1.076 125 L CA 1.677 56.728 54.840 0.352 0.000 0.749 125 L CB -0.737 41.590 42.059 0.446 0.000 0.893 125 L HN 0.351 nan 8.230 nan 0.000 0.432 126 D N 0.049 120.494 120.400 0.074 0.000 2.144 126 D HA -0.165 4.491 4.640 0.026 0.000 0.199 126 D C 2.201 178.456 176.300 -0.076 0.000 0.984 126 D CA 1.169 55.142 54.000 -0.044 0.000 0.834 126 D CB -0.030 40.780 40.800 0.015 0.000 0.955 126 D HN 0.295 nan 8.370 nan 0.000 0.465 127 K N -0.066 120.334 120.400 0.000 0.000 2.057 127 K HA -0.012 4.324 4.320 0.026 0.000 0.206 127 K C 2.283 178.882 176.600 -0.002 0.000 1.050 127 K CA 0.744 57.033 56.287 0.005 0.000 0.935 127 K CB -0.077 32.435 32.500 0.018 0.000 0.715 127 K HN 0.133 nan 8.250 nan 0.000 0.439 128 M N 0.860 120.463 119.600 0.005 0.000 2.080 128 M HA -0.213 4.283 4.480 0.026 0.000 0.260 128 M C 2.360 178.598 176.300 -0.105 0.000 1.068 128 M CA 1.620 56.944 55.300 0.041 0.000 1.109 128 M CB -0.264 32.445 32.600 0.180 0.000 1.342 128 M HN 0.053 nan 8.290 nan 0.000 0.405 129 K N -0.162 119.906 120.400 -0.553 0.000 2.032 129 K HA -0.189 4.146 4.320 0.026 0.000 0.209 129 K C 2.243 178.656 176.600 -0.312 0.000 1.048 129 K CA 1.904 57.647 56.287 -0.907 0.000 0.927 129 K CB -0.205 31.545 32.500 -1.249 0.000 0.712 129 K HN 0.173 nan 8.250 nan 0.000 0.441 130 S N -0.154 115.441 115.700 -0.175 0.000 2.356 130 S HA -0.183 4.303 4.470 0.026 0.000 0.223 130 S C 1.794 176.418 174.600 0.040 0.000 1.032 130 S CA 1.275 59.452 58.200 -0.039 0.000 1.005 130 S CB -0.500 62.706 63.200 0.009 0.000 0.867 130 S HN 0.445 nan 8.310 nan 0.000 0.449 131 F N 1.841 121.729 119.950 -0.105 0.000 2.134 131 F HA -0.088 4.456 4.527 0.027 0.000 0.299 131 F C 2.534 178.247 175.800 -0.144 0.000 1.097 131 F CA 1.182 59.100 58.000 -0.136 0.000 1.264 131 F CB -1.063 37.820 39.000 -0.194 0.000 1.001 131 F HN 0.319 nan 8.300 nan 0.000 0.479 132 C N 0.346 119.547 119.300 -0.164 0.000 2.429 132 C HA -0.196 4.280 4.460 0.026 0.000 0.277 132 C C 2.827 177.708 174.990 -0.181 0.000 1.262 132 C CA 1.291 60.184 59.018 -0.208 0.000 1.733 132 C CB -1.168 26.565 27.740 -0.012 0.000 2.010 132 C HN 0.559 nan 8.230 nan 0.000 0.483 133 Q N 1.122 120.857 119.800 -0.107 0.000 2.061 133 Q HA -0.180 4.176 4.340 0.026 0.000 0.204 133 Q C 2.414 178.371 176.000 -0.071 0.000 0.984 133 Q CA 1.691 57.455 55.803 -0.065 0.000 0.846 133 Q CB -0.337 28.379 28.738 -0.036 0.000 0.902 133 Q HN 0.646 nan 8.270 nan 0.000 0.421 134 R N -0.584 119.867 120.500 -0.080 0.000 2.081 134 R HA -0.094 4.262 4.340 0.026 0.000 0.235 134 R C 2.459 178.727 176.300 -0.054 0.000 1.131 134 R CA 1.510 57.611 56.100 0.000 0.000 0.960 134 R CB -0.279 30.115 30.300 0.156 0.000 0.856 134 R HN 0.137 nan 8.270 nan 0.000 0.436 135 V N 0.818 120.542 119.914 -0.317 0.000 2.283 135 V HA -0.191 3.945 4.120 0.026 0.000 0.243 135 V C 2.251 178.251 176.094 -0.157 0.000 1.039 135 V CA 1.643 63.746 62.300 -0.328 0.000 1.016 135 V CB -0.449 30.957 31.823 -0.694 0.000 0.650 135 V HN 0.262 nan 8.190 nan 0.000 0.449 136 R N 0.927 121.337 120.500 -0.149 0.000 2.115 136 R HA -0.105 4.251 4.340 0.026 0.000 0.230 136 R C 2.483 178.761 176.300 -0.037 0.000 1.111 136 R CA 1.464 57.518 56.100 -0.076 0.000 0.976 136 R CB -0.446 29.819 30.300 -0.059 0.000 0.870 136 R HN 0.679 nan 8.270 nan 0.000 0.445 137 S N -0.804 114.877 115.700 -0.031 0.000 2.481 137 S HA 0.015 4.501 4.470 0.026 0.000 0.231 137 S C 1.567 176.170 174.600 0.004 0.000 0.996 137 S CA 0.771 58.967 58.200 -0.008 0.000 0.942 137 S CB 0.251 63.450 63.200 -0.002 0.000 0.768 137 S HN 0.516 nan 8.310 nan 0.000 0.520 138 G N 0.872 109.678 108.800 0.009 0.000 2.175 138 G HA2 -0.257 3.719 3.960 0.026 0.000 0.244 138 G HA3 -0.257 3.719 3.960 0.026 0.000 0.244 138 G C 0.442 175.369 174.900 0.044 0.000 0.982 138 G CA 0.402 45.518 45.100 0.027 0.000 0.641 138 G HN 0.500 nan 8.290 nan 0.000 0.527 139 D N -0.795 119.636 120.400 0.052 0.000 2.117 139 D HA -0.026 4.629 4.640 0.026 0.000 0.198 139 D C 1.222 177.574 176.300 0.087 0.000 0.982 139 D CA 0.544 54.578 54.000 0.057 0.000 0.828 139 D CB -0.109 40.725 40.800 0.057 0.000 0.967 139 D HN 0.511 nan 8.370 nan 0.000 0.464 140 W N 2.739 123.998 121.300 -0.067 0.000 2.381 140 W HA 0.050 4.726 4.660 0.027 0.000 0.321 140 W C -0.117 176.368 176.519 -0.056 0.000 1.407 140 W CA 0.119 57.425 57.345 -0.064 0.000 1.274 140 W CB 0.313 29.700 29.460 -0.122 0.000 1.310 140 W HN -0.221 nan 8.180 nan 0.000 0.551 141 K N 4.564 124.846 120.400 -0.195 0.000 2.156 141 K HA 0.500 4.836 4.320 0.026 0.000 0.254 141 K C 0.487 177.015 176.600 -0.119 0.000 0.950 141 K CA -0.589 55.643 56.287 -0.093 0.000 0.849 141 K CB 1.609 34.053 32.500 -0.092 0.000 1.100 141 K HN 0.585 nan 8.250 nan 0.000 0.434 142 G N 0.342 109.157 108.800 0.025 0.000 2.535 142 G HA2 0.084 4.060 3.960 0.026 0.000 0.282 142 G HA3 0.084 4.060 3.960 0.026 0.000 0.282 142 G C 0.630 175.696 174.900 0.276 0.000 1.350 142 G CA -0.213 44.975 45.100 0.147 0.000 1.039 142 G HN 0.719 nan 8.290 nan 0.000 0.509 143 Y N -1.992 118.658 120.300 0.584 0.000 2.497 143 Y HA 0.042 4.608 4.550 0.027 0.000 0.292 143 Y C 2.169 178.157 175.900 0.148 0.000 1.137 143 Y CA 1.344 59.636 58.100 0.321 0.000 1.285 143 Y CB -0.376 38.294 38.460 0.349 0.000 0.991 143 Y HN 0.327 nan 8.280 nan 0.000 0.556 144 T N -3.557 110.744 114.554 -0.422 0.000 3.105 144 T HA 0.485 4.851 4.350 0.026 0.000 0.253 144 T C 1.399 176.017 174.700 -0.136 0.000 1.047 144 T CA 0.107 62.011 62.100 -0.327 0.000 0.944 144 T CB -0.129 68.459 68.868 -0.467 0.000 1.016 144 T HN 0.849 nan 8.240 nan 0.000 0.544 145 G N 1.377 110.134 108.800 -0.071 0.000 2.132 145 G HA2 -0.204 3.772 3.960 0.026 0.000 0.234 145 G HA3 -0.204 3.772 3.960 0.026 0.000 0.234 145 G C -0.181 174.700 174.900 -0.031 0.000 0.989 145 G CA -0.174 44.901 45.100 -0.043 0.000 0.676 145 G HN 0.644 nan 8.290 nan 0.000 0.522 146 K N 0.703 121.090 120.400 -0.022 0.000 2.123 146 K HA 0.590 4.926 4.320 0.026 0.000 0.259 146 K C 0.514 177.135 176.600 0.036 0.000 0.960 146 K CA -0.516 55.773 56.287 0.003 0.000 0.872 146 K CB 1.384 33.884 32.500 0.000 0.000 1.079 146 K HN 0.129 nan 8.250 nan 0.000 0.440 147 S N 1.772 117.495 115.700 0.038 0.000 2.576 147 S HA 0.103 4.589 4.470 0.026 0.000 0.272 147 S C 0.489 175.133 174.600 0.074 0.000 1.352 147 S CA -0.472 57.762 58.200 0.057 0.000 1.021 147 S CB 0.271 63.495 63.200 0.040 0.000 0.887 147 S HN 0.305 nan 8.310 nan 0.000 0.542 148 I N 2.841 123.461 120.570 0.083 0.000 2.496 148 I HA 0.110 4.296 4.170 0.026 0.000 0.285 148 I C 1.685 177.826 176.117 0.040 0.000 1.080 148 I CA 0.250 61.590 61.300 0.067 0.000 1.404 148 I CB 0.588 38.606 38.000 0.031 0.000 1.403 148 I HN 0.876 nan 8.210 nan 0.000 0.539 149 T N 0.386 114.971 114.554 0.052 0.000 2.971 149 T HA 0.243 4.609 4.350 0.026 0.000 0.252 149 T C 0.365 175.111 174.700 0.078 0.000 1.022 149 T CA -0.075 62.062 62.100 0.062 0.000 0.980 149 T CB 0.522 69.437 68.868 0.078 0.000 1.044 149 T HN 0.500 nan 8.240 nan 0.000 0.501 150 D N 1.270 121.700 120.400 0.049 0.000 2.896 150 D HA 0.415 5.071 4.640 0.026 0.000 0.241 150 D C -1.056 175.207 176.300 -0.062 0.000 1.188 150 D CA -0.501 53.542 54.000 0.073 0.000 0.879 150 D CB 2.450 43.280 40.800 0.050 0.000 1.553 150 D HN 0.108 nan 8.370 nan 0.000 0.515 151 I N 2.542 123.087 120.570 -0.040 0.000 2.377 151 I HA 0.402 4.587 4.170 0.026 0.000 0.293 151 I C -0.082 175.905 176.117 -0.216 0.000 0.987 151 I CA -0.690 60.507 61.300 -0.172 0.000 1.185 151 I CB 1.350 39.257 38.000 -0.157 0.000 1.341 151 I HN 0.256 nan 8.210 nan 0.000 0.455 152 I N 5.368 125.715 120.570 -0.372 0.000 2.411 152 I HA 0.253 4.439 4.170 0.026 0.000 0.284 152 I C 0.141 176.105 176.117 -0.254 0.000 1.012 152 I CA -0.348 60.745 61.300 -0.346 0.000 1.119 152 I CB 1.057 38.769 38.000 -0.479 0.000 1.261 152 I HN 0.425 nan 8.210 nan 0.000 0.448 153 N N 6.593 125.079 118.700 -0.356 0.000 2.430 153 N HA 0.468 5.223 4.740 0.026 0.000 0.265 153 N C -0.993 174.467 175.510 -0.083 0.000 1.100 153 N CA -0.026 52.890 53.050 -0.224 0.000 0.961 153 N CB 0.677 38.981 38.487 -0.306 0.000 1.075 153 N HN 0.456 nan 8.380 nan 0.000 0.478 154 I N 2.694 123.255 120.570 -0.015 0.000 2.362 154 I HA 0.645 4.830 4.170 0.026 0.000 0.289 154 I C 0.674 176.781 176.117 -0.017 0.000 0.994 154 I CA -0.581 60.712 61.300 -0.011 0.000 1.158 154 I CB 1.441 39.436 38.000 -0.009 0.000 1.315 154 I HN 0.623 nan 8.210 nan 0.000 0.451 155 G N 6.122 114.920 108.800 -0.003 0.000 2.338 155 G HA2 0.500 4.476 3.960 0.026 0.000 0.295 155 G HA3 0.500 4.476 3.960 0.026 0.000 0.295 155 G C -2.124 172.785 174.900 0.015 0.000 1.461 155 G CA -0.518 44.579 45.100 -0.005 0.000 0.817 155 G HN 0.530 nan 8.290 nan 0.000 0.556 156 I N -0.041 120.528 120.570 -0.002 0.000 2.894 156 I HA 0.632 4.817 4.170 0.026 0.000 0.302 156 I C 1.075 177.178 176.117 -0.024 0.000 1.188 156 I CA 0.775 62.074 61.300 -0.002 0.000 1.014 156 I CB 2.007 40.004 38.000 -0.004 0.000 1.242 156 I HN 2.046 nan 8.210 nan 0.000 0.430 157 G N 3.987 112.763 108.800 -0.040 0.000 2.602 157 G HA2 -0.353 3.622 3.960 0.026 0.000 0.310 157 G HA3 -0.353 3.622 3.960 0.026 0.000 0.310 157 G C 0.926 175.768 174.900 -0.095 0.000 1.183 157 G CA 0.544 45.598 45.100 -0.077 0.000 0.979 157 G HN 1.286 nan 8.290 nan 0.000 0.545 158 G N -0.588 108.155 108.800 -0.095 0.000 2.470 158 G HA2 0.148 4.124 3.960 0.026 0.000 0.220 158 G HA3 0.148 4.124 3.960 0.026 0.000 0.220 158 G C 1.760 176.620 174.900 -0.066 0.000 1.121 158 G CA 1.895 46.934 45.100 -0.102 0.000 0.766 158 G HN 1.143 nan 8.290 nan 0.000 0.553 159 S N -0.565 115.114 115.700 -0.035 0.000 2.605 159 S HA 0.153 4.639 4.470 0.026 0.000 0.217 159 S C 1.166 175.770 174.600 0.007 0.000 0.958 159 S CA 0.759 58.949 58.200 -0.018 0.000 0.919 159 S CB 0.224 63.432 63.200 0.013 0.000 0.780 159 S HN 0.654 nan 8.310 nan 0.000 0.507 160 D N 0.204 120.596 120.400 -0.013 0.000 2.760 160 D HA 0.174 4.829 4.640 0.026 0.000 0.285 160 D C 1.542 177.772 176.300 -0.116 0.000 1.178 160 D CA -0.104 53.900 54.000 0.005 0.000 1.031 160 D CB -0.364 40.452 40.800 0.027 0.000 1.544 160 D HN 0.147 nan 8.370 nan 0.000 0.468 161 L N 0.673 121.832 121.223 -0.107 0.000 2.046 161 L HA 0.111 4.467 4.340 0.026 0.000 0.208 161 L C 2.482 179.311 176.870 -0.069 0.000 1.077 161 L CA 1.586 56.360 54.840 -0.109 0.000 0.747 161 L CB -0.656 41.339 42.059 -0.107 0.000 0.896 161 L HN 0.258 nan 8.230 nan 0.000 0.432 162 G N 0.471 109.263 108.800 -0.013 0.000 2.434 162 G HA2 -0.167 3.809 3.960 0.026 0.000 0.214 162 G HA3 -0.167 3.809 3.960 0.026 0.000 0.214 162 G C -0.718 173.996 174.900 -0.310 0.000 1.202 162 G CA 0.629 45.616 45.100 -0.189 0.000 0.788 162 G HN 0.291 nan 8.290 nan 0.000 0.539 163 P HA -0.090 nan 4.420 nan 0.000 0.216 163 P C 2.097 179.164 177.300 -0.388 0.000 1.153 163 P CA 0.644 63.668 63.100 -0.126 0.000 0.858 163 P CB -0.107 31.676 31.700 0.139 0.000 0.789 164 L N -1.523 119.186 121.223 -0.857 0.000 1.994 164 L HA -0.165 4.191 4.340 0.026 0.000 0.208 164 L C 2.365 178.908 176.870 -0.546 0.000 1.071 164 L CA 1.766 55.877 54.840 -1.216 0.000 0.745 164 L CB -0.615 40.807 42.059 -1.061 0.000 0.892 164 L HN -0.049 nan 8.230 nan 0.000 0.431 165 M N -0.844 118.513 119.600 -0.404 0.000 2.159 165 M HA -0.166 4.330 4.480 0.026 0.000 0.263 165 M C 2.093 178.262 176.300 -0.218 0.000 1.063 165 M CA 1.888 57.012 55.300 -0.294 0.000 1.110 165 M CB -0.422 31.992 32.600 -0.310 0.000 1.374 165 M HN 0.220 nan 8.290 nan 0.000 0.411 166 V N 0.666 120.428 119.914 -0.252 0.000 2.323 166 V HA -0.224 3.912 4.120 0.026 0.000 0.244 166 V C 2.618 178.683 176.094 -0.049 0.000 1.041 166 V CA 2.184 64.387 62.300 -0.162 0.000 1.025 166 V CB -1.416 30.282 31.823 -0.208 0.000 0.656 166 V HN 0.664 nan 8.190 nan 0.000 0.451 167 T N -2.131 112.413 114.554 -0.016 0.000 2.788 167 T HA -0.198 4.168 4.350 0.026 0.000 0.268 167 T C 1.725 176.489 174.700 0.107 0.000 1.044 167 T CA 1.338 63.512 62.100 0.122 0.000 1.139 167 T CB -0.306 68.664 68.868 0.169 0.000 0.867 167 T HN 0.395 nan 8.240 nan 0.000 0.454 168 E N 1.895 122.117 120.200 0.038 0.000 2.051 168 E HA -0.008 4.358 4.350 0.026 0.000 0.192 168 E C 2.643 179.329 176.600 0.142 0.000 0.991 168 E CA 1.456 57.934 56.400 0.131 0.000 0.799 168 E CB -0.778 28.993 29.700 0.118 0.000 0.748 168 E HN 0.700 nan 8.360 nan 0.000 0.449 169 A N 0.667 123.534 122.820 0.077 0.000 1.969 169 A HA -0.053 4.283 4.320 0.026 0.000 0.218 169 A C 2.016 179.572 177.584 -0.046 0.000 1.169 169 A CA 0.794 52.883 52.037 0.087 0.000 0.635 169 A CB -0.243 18.798 19.000 0.070 0.000 0.810 169 A HN 0.171 nan 8.150 nan 0.000 0.445 170 L N -1.038 120.159 121.223 -0.044 0.000 2.872 170 L HA 0.138 4.494 4.340 0.026 0.000 0.245 170 L C 1.704 178.537 176.870 -0.060 0.000 1.211 170 L CA -0.165 54.679 54.840 0.008 0.000 1.013 170 L CB 0.122 42.195 42.059 0.023 0.000 1.326 170 L HN 0.184 nan 8.230 nan 0.000 0.525 171 K N 2.004 122.247 120.400 -0.262 0.000 2.089 171 K HA -0.151 4.185 4.320 0.026 0.000 0.210 171 K C -0.739 175.681 176.600 -0.298 0.000 1.048 171 K CA 1.862 58.014 56.287 -0.225 0.000 0.926 171 K CB -0.978 31.416 32.500 -0.178 0.000 0.714 171 K HN 0.129 nan 8.250 nan 0.000 0.448 172 P HA -0.113 nan 4.420 nan 0.000 0.225 172 P C 0.202 177.141 177.300 -0.602 0.000 1.148 172 P CA 1.149 63.942 63.100 -0.511 0.000 0.779 172 P CB -0.049 31.223 31.700 -0.714 0.000 0.780 173 Y N -0.959 119.187 120.300 -0.256 0.000 2.461 173 Y HA 0.089 4.654 4.550 0.026 0.000 0.277 173 Y C 1.855 177.671 175.900 -0.139 0.000 1.182 173 Y CA 0.327 58.278 58.100 -0.249 0.000 1.276 173 Y CB -0.415 37.733 38.460 -0.521 0.000 1.087 173 Y HN 0.033 nan 8.280 nan 0.000 0.519 174 S N -1.121 114.487 115.700 -0.153 0.000 2.572 174 S HA 0.164 4.650 4.470 0.026 0.000 0.228 174 S C 0.260 174.739 174.600 -0.202 0.000 0.963 174 S CA -0.649 57.359 58.200 -0.320 0.000 0.939 174 S CB -0.227 62.456 63.200 -0.863 0.000 0.804 174 S HN 0.108 nan 8.310 nan 0.000 0.480 175 K N 1.217 121.556 120.400 -0.102 0.000 2.448 175 K HA 0.362 4.697 4.320 0.026 0.000 0.278 175 K C 1.274 177.853 176.600 -0.036 0.000 1.009 175 K CA 0.776 57.026 56.287 -0.061 0.000 0.995 175 K CB 0.196 32.669 32.500 -0.045 0.000 0.917 175 K HN 0.406 nan 8.250 nan 0.000 0.481 176 G N 2.012 110.797 108.800 -0.025 0.000 2.245 176 G HA2 -0.273 3.703 3.960 0.026 0.000 0.264 176 G HA3 -0.273 3.703 3.960 0.026 0.000 0.264 176 G C 0.522 175.413 174.900 -0.014 0.000 0.985 176 G CA 0.130 45.222 45.100 -0.012 0.000 0.625 176 G HN 0.856 nan 8.290 nan 0.000 0.536 177 G N 0.593 109.371 108.800 -0.037 0.000 2.562 177 G HA2 0.655 4.631 3.960 0.026 0.000 0.275 177 G HA3 0.655 4.631 3.960 0.026 0.000 0.275 177 G C -1.511 173.407 174.900 0.030 0.000 1.196 177 G CA -0.308 44.778 45.100 -0.024 0.000 0.908 177 G HN 0.330 nan 8.290 nan 0.000 0.524 178 P HA 0.221 nan 4.420 nan 0.000 0.274 178 P C -0.181 177.218 177.300 0.165 0.000 1.237 178 P CA -0.443 62.708 63.100 0.084 0.000 0.793 178 P CB 1.035 32.755 31.700 0.034 0.000 0.977 179 R N 0.203 120.775 120.500 0.121 0.000 2.643 179 R HA 0.356 4.712 4.340 0.026 0.000 0.270 179 R C -0.309 175.961 176.300 -0.050 0.000 1.061 179 R CA -0.342 55.789 56.100 0.052 0.000 1.107 179 R CB 0.228 30.564 30.300 0.061 0.000 0.999 179 R HN 0.277 nan 8.270 nan 0.000 0.460 180 V N 2.430 122.142 119.914 -0.338 0.000 2.604 180 V HA 0.416 4.552 4.120 0.026 0.000 0.305 180 V C -0.970 174.828 176.094 -0.495 0.000 1.043 180 V CA -0.837 61.218 62.300 -0.408 0.000 0.888 180 V CB 1.536 32.998 31.823 -0.603 0.000 0.995 180 V HN 0.686 nan 8.190 nan 0.000 0.429 181 W N 2.858 123.841 121.300 -0.528 0.000 2.844 181 W HA 0.772 5.447 4.660 0.024 0.000 0.340 181 W C -1.088 175.015 176.519 -0.693 0.000 1.093 181 W CA -0.703 56.410 57.345 -0.387 0.000 1.212 181 W CB 1.528 30.827 29.460 -0.269 0.000 1.422 181 W HN 0.328 nan 8.180 nan 0.000 0.515 182 F N 2.152 122.152 119.950 0.082 0.000 2.460 182 F HA 0.587 5.128 4.527 0.024 0.000 0.341 182 F C -0.203 175.497 175.800 -0.166 0.000 1.130 182 F CA -1.185 56.804 58.000 -0.018 0.000 0.962 182 F CB 1.202 40.196 39.000 -0.010 0.000 1.171 182 F HN -0.176 nan 8.300 nan 0.000 0.436 183 V N 2.888 122.730 119.914 -0.120 0.000 2.417 183 V HA 0.478 4.613 4.120 0.026 0.000 0.291 183 V C 0.080 176.095 176.094 -0.133 0.000 1.024 183 V CA -0.042 62.010 62.300 -0.413 0.000 0.861 183 V CB 1.471 33.133 31.823 -0.268 0.000 0.985 183 V HN 0.948 nan 8.190 nan 0.000 0.436 184 S N 2.689 118.390 115.700 0.001 0.000 3.330 184 S HA 0.145 4.631 4.470 0.026 0.000 0.259 184 S C 0.625 175.334 174.600 0.183 0.000 1.095 184 S CA -0.214 58.071 58.200 0.142 0.000 0.841 184 S CB -0.149 63.162 63.200 0.184 0.000 0.890 184 S HN 0.536 nan 8.310 nan 0.000 0.446 185 N N 1.723 120.645 118.700 0.370 0.000 2.454 185 N HA 0.155 4.911 4.740 0.026 0.000 0.254 185 N C 0.785 176.367 175.510 0.121 0.000 1.228 185 N CA -0.020 53.134 53.050 0.173 0.000 0.900 185 N CB 0.880 39.415 38.487 0.079 0.000 1.089 185 N HN 0.338 nan 8.380 nan 0.000 0.449 186 I N 1.914 122.517 120.570 0.054 0.000 2.493 186 I HA -0.136 4.050 4.170 0.026 0.000 0.254 186 I C 0.372 176.513 176.117 0.040 0.000 1.160 186 I CA 0.700 62.020 61.300 0.033 0.000 1.445 186 I CB -0.596 37.411 38.000 0.012 0.000 1.086 186 I HN 0.560 nan 8.210 nan 0.000 0.433 187 D N 0.643 121.067 120.400 0.040 0.000 2.662 187 D HA -0.061 4.595 4.640 0.026 0.000 0.237 187 D C 1.569 177.901 176.300 0.054 0.000 1.154 187 D CA 0.913 54.933 54.000 0.032 0.000 0.861 187 D CB 0.762 41.569 40.800 0.011 0.000 1.146 187 D HN 0.359 nan 8.370 nan 0.000 0.518 188 G N 3.300 112.123 108.800 0.037 0.000 2.462 188 G HA2 -0.290 3.686 3.960 0.026 0.000 0.220 188 G HA3 -0.290 3.686 3.960 0.026 0.000 0.220 188 G C 1.515 176.442 174.900 0.046 0.000 1.121 188 G CA 1.102 46.223 45.100 0.035 0.000 0.758 188 G HN 0.593 nan 8.290 nan 0.000 0.559 189 T N -0.425 114.159 114.554 0.050 0.000 2.685 189 T HA -0.228 4.138 4.350 0.026 0.000 0.268 189 T C 1.878 176.649 174.700 0.118 0.000 1.034 189 T CA 1.669 63.805 62.100 0.059 0.000 1.149 189 T CB -0.391 68.498 68.868 0.036 0.000 0.860 189 T HN 0.619 nan 8.240 nan 0.000 0.449 190 H N -0.489 118.588 119.070 0.011 0.000 2.270 190 H HA 0.023 4.593 4.556 0.024 0.000 0.299 190 H C 2.448 177.777 175.328 0.002 0.000 1.077 190 H CA 1.368 57.430 56.048 0.023 0.000 1.294 190 H CB -0.112 29.668 29.762 0.029 0.000 1.371 190 H HN 0.277 nan 8.280 nan 0.000 0.491 191 I N 0.321 120.920 120.570 0.048 0.000 2.353 191 I HA -0.168 4.018 4.170 0.026 0.000 0.248 191 I C 2.501 178.548 176.117 -0.117 0.000 1.119 191 I CA 1.053 62.303 61.300 -0.084 0.000 1.417 191 I CB -0.184 37.760 38.000 -0.092 0.000 1.078 191 I HN 0.327 nan 8.210 nan 0.000 0.421 192 A N 0.585 123.373 122.820 -0.054 0.000 1.883 192 A HA -0.225 4.111 4.320 0.026 0.000 0.217 192 A C 2.253 179.801 177.584 -0.061 0.000 1.186 192 A CA 1.596 53.596 52.037 -0.062 0.000 0.624 192 A CB -0.509 18.485 19.000 -0.010 0.000 0.822 192 A HN 0.256 nan 8.150 nan 0.000 0.444 193 K N -0.508 119.892 120.400 -0.001 0.000 2.148 193 K HA -0.044 4.292 4.320 0.026 0.000 0.204 193 K C 2.065 178.657 176.600 -0.014 0.000 1.050 193 K CA 1.662 57.966 56.287 0.029 0.000 0.942 193 K CB -0.913 31.646 32.500 0.098 0.000 0.724 193 K HN 0.546 nan 8.250 nan 0.000 0.446 194 T N 1.794 116.303 114.554 -0.075 0.000 2.770 194 T HA 0.010 4.376 4.350 0.026 0.000 0.263 194 T C 1.939 176.343 174.700 -0.492 0.000 1.039 194 T CA 0.765 62.714 62.100 -0.251 0.000 1.142 194 T CB -0.060 68.683 68.868 -0.209 0.000 0.868 194 T HN 0.090 nan 8.240 nan 0.000 0.435 195 L N 0.892 121.841 121.223 -0.456 0.000 2.201 195 L HA 0.020 4.376 4.340 0.026 0.000 0.212 195 L C 2.958 179.641 176.870 -0.312 0.000 1.105 195 L CA 0.758 55.200 54.840 -0.663 0.000 0.775 195 L CB -0.632 40.811 42.059 -1.025 0.000 0.913 195 L HN 0.233 nan 8.230 nan 0.000 0.440 196 A N -0.932 121.787 122.820 -0.168 0.000 2.019 196 A HA -0.135 4.201 4.320 0.026 0.000 0.219 196 A C 2.257 179.835 177.584 -0.010 0.000 1.164 196 A CA 1.739 53.762 52.037 -0.024 0.000 0.644 196 A CB -0.276 18.726 19.000 0.002 0.000 0.805 196 A HN 0.347 nan 8.150 nan 0.000 0.449 197 S N -0.984 114.649 115.700 -0.111 0.000 2.572 197 S HA 0.469 4.954 4.470 0.026 0.000 0.228 197 S C 0.082 174.606 174.600 -0.128 0.000 0.963 197 S CA -0.215 57.943 58.200 -0.071 0.000 0.939 197 S CB -0.208 62.995 63.200 0.004 0.000 0.804 197 S HN 0.386 nan 8.310 nan 0.000 0.480 198 L N 0.323 121.479 121.223 -0.112 0.000 2.333 198 L HA 0.617 4.973 4.340 0.026 0.000 0.263 198 L C -0.099 176.928 176.870 0.262 0.000 1.014 198 L CA -0.665 54.158 54.840 -0.029 0.000 0.820 198 L CB 1.950 43.884 42.059 -0.209 0.000 1.352 198 L HN -0.029 nan 8.230 nan 0.000 0.421 199 S N 0.293 116.139 115.700 0.243 0.000 2.454 199 S HA 0.472 4.958 4.470 0.026 0.000 0.306 199 S C -2.065 172.704 174.600 0.283 0.000 1.100 199 S CA -1.564 56.772 58.200 0.228 0.000 1.087 199 S CB 1.610 64.881 63.200 0.118 0.000 1.019 199 S HN 0.330 nan 8.310 nan 0.000 0.480 200 P HA -0.072 nan 4.420 nan 0.000 0.219 200 P C 0.747 178.237 177.300 0.318 0.000 1.146 200 P CA 1.091 64.252 63.100 0.102 0.000 0.808 200 P CB 0.094 31.569 31.700 -0.374 0.000 0.779 201 E N -0.966 119.363 120.200 0.215 0.000 2.204 201 E HA -0.095 4.271 4.350 0.026 0.000 0.195 201 E C 0.976 177.755 176.600 0.300 0.000 0.990 201 E CA 1.655 58.131 56.400 0.127 0.000 0.821 201 E CB -0.425 29.213 29.700 -0.104 0.000 0.750 201 E HN 0.395 nan 8.360 nan 0.000 0.477 202 T N -2.922 111.790 114.554 0.263 0.000 3.170 202 T HA 0.246 4.612 4.350 0.026 0.000 0.288 202 T C 0.234 175.033 174.700 0.165 0.000 0.992 202 T CA -0.533 61.689 62.100 0.203 0.000 0.909 202 T CB 0.739 69.675 68.868 0.114 0.000 1.133 202 T HN -0.204 nan 8.240 nan 0.000 0.530 203 S N 1.888 117.717 115.700 0.215 0.000 2.454 203 S HA 0.730 5.216 4.470 0.026 0.000 0.306 203 S C -1.004 173.563 174.600 -0.056 0.000 1.100 203 S CA -0.741 57.443 58.200 -0.026 0.000 1.087 203 S CB 1.617 64.744 63.200 -0.121 0.000 1.019 203 S HN 0.472 nan 8.310 nan 0.000 0.480 204 L N 4.089 125.149 121.223 -0.272 0.000 2.305 204 L HA 0.659 5.015 4.340 0.026 0.000 0.284 204 L C -1.623 174.938 176.870 -0.515 0.000 1.013 204 L CA -0.316 54.368 54.840 -0.261 0.000 0.819 204 L CB 0.258 42.219 42.059 -0.163 0.000 1.227 204 L HN 0.498 nan 8.230 nan 0.000 0.417 205 F N 5.690 125.401 119.950 -0.397 0.000 2.404 205 F HA 0.517 5.059 4.527 0.026 0.000 0.345 205 F C 0.230 175.889 175.800 -0.235 0.000 1.110 205 F CA -0.306 57.437 58.000 -0.429 0.000 1.130 205 F CB 1.117 39.620 39.000 -0.828 0.000 1.129 205 F HN 0.264 nan 8.300 nan 0.000 0.500 206 I N 5.250 125.829 120.570 0.015 0.000 2.355 206 I HA 0.275 4.460 4.170 0.026 0.000 0.288 206 I C -0.832 175.325 176.117 0.066 0.000 0.999 206 I CA -0.637 60.677 61.300 0.024 0.000 1.163 206 I CB 1.104 39.081 38.000 -0.040 0.000 1.316 206 I HN 0.303 nan 8.210 nan 0.000 0.454 207 I N 5.936 126.580 120.570 0.124 0.000 2.297 207 I HA 0.413 4.599 4.170 0.026 0.000 0.291 207 I C 0.510 176.719 176.117 0.153 0.000 1.033 207 I CA -0.456 60.897 61.300 0.089 0.000 1.253 207 I CB 0.900 38.937 38.000 0.062 0.000 1.396 207 I HN 0.517 nan 8.210 nan 0.000 0.476 208 A N 4.916 127.776 122.820 0.065 0.000 2.267 208 A HA 0.702 5.038 4.320 0.026 0.000 0.315 208 A C -0.021 177.615 177.584 0.086 0.000 1.297 208 A CA -0.438 51.658 52.037 0.098 0.000 0.865 208 A CB 0.965 19.989 19.000 0.040 0.000 1.165 208 A HN 0.658 nan 8.150 nan 0.000 0.513 209 S N 2.093 117.918 115.700 0.209 0.000 2.590 209 S HA 0.246 4.731 4.470 0.026 0.000 0.286 209 S C 0.508 175.263 174.600 0.258 0.000 1.147 209 S CA -0.435 57.862 58.200 0.161 0.000 0.963 209 S CB 1.080 64.254 63.200 -0.044 0.000 1.124 209 S HN 0.786 nan 8.310 nan 0.000 0.458 210 K N 2.105 122.646 120.400 0.235 0.000 2.009 210 K HA -0.124 4.212 4.320 0.026 0.000 0.210 210 K C 1.817 178.371 176.600 -0.077 0.000 1.049 210 K CA 2.510 58.829 56.287 0.054 0.000 0.929 210 K CB -0.438 32.124 32.500 0.103 0.000 0.714 210 K HN 0.795 nan 8.250 nan 0.000 0.440 211 T N -2.789 111.770 114.554 0.008 0.000 3.054 211 T HA -0.041 4.325 4.350 0.026 0.000 0.259 211 T C 0.864 175.631 174.700 0.112 0.000 1.092 211 T CA 0.387 62.493 62.100 0.010 0.000 1.121 211 T CB -0.252 68.618 68.868 0.004 0.000 0.912 211 T HN 0.316 nan 8.240 nan 0.000 0.489 212 F N 2.303 122.206 119.950 -0.078 0.000 3.084 212 F HA -0.275 4.267 4.527 0.025 0.000 0.286 212 F C 1.119 176.884 175.800 -0.058 0.000 0.855 212 F CA 1.053 59.005 58.000 -0.080 0.000 1.091 212 F CB -1.781 37.166 39.000 -0.088 0.000 1.177 212 F HN 0.534 nan 8.300 nan 0.000 0.542 213 T N -5.003 109.541 114.554 -0.017 0.000 3.058 213 T HA 0.191 4.557 4.350 0.026 0.000 0.278 213 T C 0.624 175.285 174.700 -0.064 0.000 0.974 213 T CA 0.539 62.620 62.100 -0.031 0.000 0.893 213 T CB -0.001 68.876 68.868 0.016 0.000 1.138 213 T HN 0.131 nan 8.240 nan 0.000 0.529 214 T N 3.347 117.846 114.554 -0.091 0.000 2.822 214 T HA 0.015 4.381 4.350 0.026 0.000 0.288 214 T C 1.308 175.953 174.700 -0.091 0.000 0.991 214 T CA 0.257 62.309 62.100 -0.080 0.000 1.176 214 T CB 1.214 70.030 68.868 -0.087 0.000 0.951 214 T HN 0.505 nan 8.240 nan 0.000 0.526 215 Q N 2.936 122.704 119.800 -0.054 0.000 2.045 215 Q HA -0.233 4.123 4.340 0.026 0.000 0.206 215 Q C 1.813 177.781 176.000 -0.054 0.000 0.991 215 Q CA 2.085 57.862 55.803 -0.044 0.000 0.851 215 Q CB -0.007 28.718 28.738 -0.020 0.000 0.911 215 Q HN 0.758 nan 8.270 nan 0.000 0.418 216 E N -0.294 119.878 120.200 -0.047 0.000 2.058 216 E HA -0.168 4.198 4.350 0.026 0.000 0.194 216 E C 2.061 178.618 176.600 -0.071 0.000 0.997 216 E CA 2.046 58.422 56.400 -0.041 0.000 0.801 216 E CB -0.270 29.418 29.700 -0.022 0.000 0.746 216 E HN 0.380 nan 8.360 nan 0.000 0.450 217 T N 0.851 115.336 114.554 -0.114 0.000 2.770 217 T HA -0.058 4.308 4.350 0.026 0.000 0.263 217 T C 1.728 176.270 174.700 -0.262 0.000 1.039 217 T CA 0.756 62.750 62.100 -0.177 0.000 1.142 217 T CB -0.066 68.673 68.868 -0.214 0.000 0.868 217 T HN 0.030 nan 8.240 nan 0.000 0.435 218 I N 1.812 122.211 120.570 -0.286 0.000 2.315 218 I HA -0.108 4.078 4.170 0.026 0.000 0.248 218 I C 2.582 178.633 176.117 -0.111 0.000 1.117 218 I CA 1.423 62.544 61.300 -0.298 0.000 1.404 218 I CB -1.785 36.078 38.000 -0.228 0.000 1.071 218 I HN 0.260 nan 8.210 nan 0.000 0.419 219 T N 1.332 115.845 114.554 -0.068 0.000 2.708 219 T HA -0.124 4.242 4.350 0.026 0.000 0.266 219 T C 1.791 176.482 174.700 -0.016 0.000 1.037 219 T CA 1.291 63.381 62.100 -0.017 0.000 1.146 219 T CB -0.230 68.630 68.868 -0.014 0.000 0.865 219 T HN 0.253 nan 8.240 nan 0.000 0.435 220 N N 1.382 120.055 118.700 -0.045 0.000 2.104 220 N HA -0.040 4.716 4.740 0.026 0.000 0.190 220 N C 2.096 177.581 175.510 -0.042 0.000 1.024 220 N CA 1.406 54.429 53.050 -0.045 0.000 0.853 220 N CB -0.518 37.935 38.487 -0.055 0.000 1.008 220 N HN 0.431 nan 8.380 nan 0.000 0.424 221 A N 1.315 124.094 122.820 -0.069 0.000 1.898 221 A HA -0.117 4.219 4.320 0.026 0.000 0.216 221 A C 2.073 179.786 177.584 0.214 0.000 1.181 221 A CA 1.222 53.247 52.037 -0.019 0.000 0.620 221 A CB -0.394 18.372 19.000 -0.389 0.000 0.819 221 A HN 0.330 nan 8.150 nan 0.000 0.442 222 E N -0.765 119.577 120.200 0.237 0.000 2.110 222 E HA -0.128 4.238 4.350 0.026 0.000 0.193 222 E C 2.036 178.688 176.600 0.086 0.000 0.988 222 E CA 1.547 58.073 56.400 0.209 0.000 0.804 222 E CB -0.337 29.461 29.700 0.163 0.000 0.745 222 E HN 0.586 nan 8.360 nan 0.000 0.458 223 T N 1.084 115.671 114.554 0.055 0.000 2.708 223 T HA -0.154 4.212 4.350 0.026 0.000 0.266 223 T C 2.028 176.763 174.700 0.059 0.000 1.037 223 T CA 1.283 63.408 62.100 0.041 0.000 1.146 223 T CB -0.224 68.648 68.868 0.006 0.000 0.865 223 T HN 0.250 nan 8.240 nan 0.000 0.435 224 A N 1.538 124.352 122.820 -0.011 0.000 1.908 224 A HA -0.146 4.189 4.320 0.026 0.000 0.218 224 A C 2.215 179.908 177.584 0.182 0.000 1.181 224 A CA 2.095 54.064 52.037 -0.113 0.000 0.627 224 A CB -0.552 18.113 19.000 -0.559 0.000 0.818 224 A HN 0.494 nan 8.150 nan 0.000 0.445 225 K N -0.307 120.185 120.400 0.152 0.000 2.097 225 K HA -0.178 4.158 4.320 0.026 0.000 0.205 225 K C 2.088 178.760 176.600 0.120 0.000 1.050 225 K CA 1.538 57.841 56.287 0.027 0.000 0.938 225 K CB -0.163 32.126 32.500 -0.351 0.000 0.718 225 K HN 0.626 nan 8.250 nan 0.000 0.442 226 E N -0.387 119.870 120.200 0.094 0.000 2.077 226 E HA -0.234 4.132 4.350 0.026 0.000 0.193 226 E C 1.766 178.457 176.600 0.152 0.000 0.989 226 E CA 1.409 57.858 56.400 0.081 0.000 0.800 226 E CB -0.249 29.486 29.700 0.059 0.000 0.746 226 E HN 0.527 nan 8.360 nan 0.000 0.452 227 W N 0.458 121.776 121.300 0.030 0.000 2.358 227 W HA -0.236 4.441 4.660 0.028 0.000 0.303 227 W C 1.941 178.507 176.519 0.078 0.000 1.208 227 W CA 1.778 59.150 57.345 0.045 0.000 1.274 227 W CB -0.609 28.887 29.460 0.058 0.000 1.138 227 W HN 0.165 nan 8.180 nan 0.000 0.515 228 F N 0.872 120.911 119.950 0.148 0.000 2.102 228 F HA -0.178 4.365 4.527 0.027 0.000 0.298 228 F C 2.049 177.708 175.800 -0.234 0.000 1.105 228 F CA 2.197 60.147 58.000 -0.083 0.000 1.239 228 F CB -0.807 38.355 39.000 0.270 0.000 0.991 228 F HN -0.163 nan 8.300 nan 0.000 0.474 229 L N 0.174 121.288 121.223 -0.182 0.000 2.201 229 L HA -0.150 4.206 4.340 0.026 0.000 0.212 229 L C 2.526 179.194 176.870 -0.336 0.000 1.105 229 L CA 1.164 55.809 54.840 -0.325 0.000 0.775 229 L CB -0.772 41.218 42.059 -0.114 0.000 0.913 229 L HN 0.227 nan 8.230 nan 0.000 0.440 230 E N 0.830 120.872 120.200 -0.263 0.000 2.110 230 E HA -0.232 4.134 4.350 0.026 0.000 0.193 230 E C 2.011 178.426 176.600 -0.308 0.000 0.988 230 E CA 1.585 57.847 56.400 -0.230 0.000 0.804 230 E CB 0.228 29.834 29.700 -0.156 0.000 0.745 230 E HN 0.470 nan 8.360 nan 0.000 0.458 231 A N 0.700 123.241 122.820 -0.465 0.000 1.887 231 A HA 0.213 4.549 4.320 0.026 0.000 0.212 231 A C 2.341 179.620 177.584 -0.507 0.000 1.198 231 A CA 1.374 53.146 52.037 -0.442 0.000 0.628 231 A CB -0.505 18.196 19.000 -0.498 0.000 0.847 231 A HN 0.303 nan 8.150 nan 0.000 0.449 232 A N -0.964 121.273 122.820 -0.972 0.000 1.930 232 A HA 0.111 4.446 4.320 0.026 0.000 0.215 232 A C 1.243 178.461 177.584 -0.610 0.000 1.176 232 A CA 1.350 52.623 52.037 -1.274 0.000 0.632 232 A CB -0.355 17.343 19.000 -2.169 0.000 0.819 232 A HN 0.480 nan 8.150 nan 0.000 0.445 233 K N -0.722 119.401 120.400 -0.462 0.000 3.160 233 K HA -0.191 4.145 4.320 0.026 0.000 0.280 233 K C -0.837 175.650 176.600 -0.188 0.000 1.154 233 K CA 0.975 57.110 56.287 -0.254 0.000 0.822 233 K CB -1.425 30.967 32.500 -0.181 0.000 1.239 233 K HN 0.593 nan 8.250 nan 0.000 0.489 234 D N -1.107 119.166 120.400 -0.212 0.000 2.365 234 D HA 0.216 4.872 4.640 0.026 0.000 0.235 234 D C -2.208 174.066 176.300 -0.044 0.000 1.368 234 D CA -1.999 51.937 54.000 -0.108 0.000 1.001 234 D CB 1.641 42.391 40.800 -0.083 0.000 1.364 234 D HN -0.280 nan 8.370 nan 0.000 0.577 235 P HA -0.116 nan 4.420 nan 0.000 0.219 235 P C 1.292 178.620 177.300 0.047 0.000 1.146 235 P CA 1.037 64.136 63.100 -0.001 0.000 0.808 235 P CB 0.251 31.933 31.700 -0.031 0.000 0.779 236 S N -0.933 114.799 115.700 0.052 0.000 2.481 236 S HA 0.027 4.513 4.470 0.026 0.000 0.231 236 S C 1.958 176.647 174.600 0.148 0.000 0.996 236 S CA 0.753 58.999 58.200 0.076 0.000 0.942 236 S CB -1.078 62.154 63.200 0.054 0.000 0.768 236 S HN 0.105 nan 8.310 nan 0.000 0.520 237 A N 1.323 124.269 122.820 0.211 0.000 2.119 237 A HA 0.220 4.556 4.320 0.026 0.000 0.217 237 A C 2.195 180.089 177.584 0.517 0.000 1.153 237 A CA 0.924 53.195 52.037 0.390 0.000 0.692 237 A CB -0.831 18.384 19.000 0.359 0.000 0.799 237 A HN 0.421 nan 8.150 nan 0.000 0.458 238 V N 0.028 120.171 119.914 0.381 0.000 2.380 238 V HA -0.327 3.809 4.120 0.026 0.000 0.251 238 V C 2.993 179.268 176.094 0.301 0.000 1.063 238 V CA 1.963 64.406 62.300 0.238 0.000 1.055 238 V CB -1.109 30.723 31.823 0.016 0.000 0.657 238 V HN 0.612 nan 8.190 nan 0.000 0.455 239 A N -0.652 122.314 122.820 0.245 0.000 2.070 239 A HA -0.212 4.124 4.320 0.026 0.000 0.220 239 A C 2.181 179.965 177.584 0.334 0.000 1.159 239 A CA 1.656 53.842 52.037 0.248 0.000 0.656 239 A CB -0.377 18.721 19.000 0.162 0.000 0.800 239 A HN 0.599 nan 8.150 nan 0.000 0.453 240 K N -1.583 119.011 120.400 0.323 0.000 2.426 240 K HA 0.075 4.411 4.320 0.026 0.000 0.193 240 K C 0.698 177.427 176.600 0.214 0.000 1.028 240 K CA 0.622 57.068 56.287 0.265 0.000 1.047 240 K CB 0.099 32.651 32.500 0.086 0.000 0.821 240 K HN 0.603 nan 8.250 nan 0.000 0.513 241 H N -1.731 117.539 119.070 0.333 0.000 3.535 241 H HA 0.188 4.759 4.556 0.026 0.000 0.260 241 H C -0.726 174.564 175.328 -0.062 0.000 1.173 241 H CA 0.010 56.117 56.048 0.099 0.000 1.168 241 H CB 0.794 30.392 29.762 -0.272 0.000 1.568 241 H HN -0.063 nan 8.280 nan 0.000 0.602 242 F N 1.104 121.173 119.950 0.198 0.000 2.547 242 F HA 0.453 4.994 4.527 0.024 0.000 0.316 242 F C -0.218 175.650 175.800 0.114 0.000 1.121 242 F CA -0.865 57.246 58.000 0.185 0.000 0.911 242 F CB 2.163 41.274 39.000 0.185 0.000 1.179 242 F HN -0.344 nan 8.300 nan 0.000 0.443 243 V N 2.465 122.492 119.914 0.189 0.000 2.735 243 V HA 0.859 4.995 4.120 0.026 0.000 0.310 243 V C -0.512 175.621 176.094 0.066 0.000 1.061 243 V CA -0.959 61.350 62.300 0.016 0.000 0.913 243 V CB 1.863 33.558 31.823 -0.214 0.000 1.005 243 V HN 0.882 nan 8.190 nan 0.000 0.428 244 A N 5.129 127.954 122.820 0.008 0.000 2.324 244 A HA 0.935 5.271 4.320 0.026 0.000 0.330 244 A C -0.960 176.607 177.584 -0.028 0.000 1.165 244 A CA -0.536 51.513 52.037 0.021 0.000 0.813 244 A CB 0.826 19.721 19.000 -0.175 0.000 1.197 244 A HN 0.797 nan 8.150 nan 0.000 0.484 245 L N 1.973 123.242 121.223 0.076 0.000 2.342 245 L HA 0.714 5.070 4.340 0.026 0.000 0.276 245 L C 0.057 177.089 176.870 0.271 0.000 0.997 245 L CA -0.194 54.714 54.840 0.113 0.000 0.838 245 L CB 1.372 43.476 42.059 0.074 0.000 1.224 245 L HN 0.667 nan 8.230 nan 0.000 0.416 246 S N -0.152 115.623 115.700 0.126 0.000 2.636 246 S HA 0.448 4.934 4.470 0.026 0.000 0.268 246 S C 0.439 174.663 174.600 -0.627 0.000 1.159 246 S CA 0.226 58.341 58.200 -0.141 0.000 0.815 246 S CB 1.863 64.939 63.200 -0.205 0.000 1.130 246 S HN 0.725 nan 8.310 nan 0.000 0.471 247 T N -0.643 113.448 114.554 -0.770 0.000 3.022 247 T HA 0.280 4.646 4.350 0.026 0.000 0.250 247 T C 0.306 174.776 174.700 -0.385 0.000 1.060 247 T CA 0.104 61.786 62.100 -0.695 0.000 1.013 247 T CB -0.233 68.194 68.868 -0.735 0.000 0.982 247 T HN 0.320 nan 8.240 nan 0.000 0.508 248 N N 1.814 120.335 118.700 -0.298 0.000 2.955 248 N HA 0.250 5.005 4.740 0.026 0.000 0.242 248 N C 0.776 176.159 175.510 -0.212 0.000 1.123 248 N CA -0.046 52.891 53.050 -0.189 0.000 0.949 248 N CB 0.808 39.242 38.487 -0.088 0.000 1.214 248 N HN 0.187 nan 8.380 nan 0.000 0.504 249 T N 0.584 115.020 114.554 -0.196 0.000 2.699 249 T HA -0.184 4.182 4.350 0.026 0.000 0.268 249 T C 1.819 176.436 174.700 -0.138 0.000 1.036 249 T CA 1.844 63.835 62.100 -0.181 0.000 1.147 249 T CB -0.030 68.761 68.868 -0.128 0.000 0.862 249 T HN 0.560 nan 8.240 nan 0.000 0.446 250 A N 1.679 124.447 122.820 -0.087 0.000 1.902 250 A HA -0.120 4.216 4.320 0.026 0.000 0.217 250 A C 2.315 179.888 177.584 -0.018 0.000 1.181 250 A CA 1.264 53.275 52.037 -0.043 0.000 0.623 250 A CB -0.281 18.706 19.000 -0.022 0.000 0.818 250 A HN 0.217 nan 8.150 nan 0.000 0.443 251 K N -0.298 120.097 120.400 -0.009 0.000 2.217 251 K HA 0.035 4.371 4.320 0.026 0.000 0.202 251 K C 1.948 178.617 176.600 0.114 0.000 1.051 251 K CA 0.968 57.313 56.287 0.097 0.000 0.952 251 K CB -0.694 31.908 32.500 0.171 0.000 0.736 251 K HN 0.353 nan 8.250 nan 0.000 0.453 252 V N 1.652 121.429 119.914 -0.228 0.000 2.343 252 V HA -0.245 3.891 4.120 0.026 0.000 0.247 252 V C 2.170 178.223 176.094 -0.069 0.000 1.051 252 V CA 1.712 63.720 62.300 -0.486 0.000 1.036 252 V CB -0.316 31.065 31.823 -0.735 0.000 0.654 252 V HN 0.313 nan 8.190 nan 0.000 0.451 253 K N -0.228 120.137 120.400 -0.058 0.000 2.057 253 K HA -0.228 4.107 4.320 0.026 0.000 0.207 253 K C 2.218 178.838 176.600 0.034 0.000 1.049 253 K CA 1.770 58.050 56.287 -0.010 0.000 0.931 253 K CB -0.222 32.263 32.500 -0.025 0.000 0.714 253 K HN 0.476 nan 8.250 nan 0.000 0.440 254 E N 0.055 120.293 120.200 0.063 0.000 2.097 254 E HA -0.224 4.142 4.350 0.026 0.000 0.196 254 E C 1.771 178.441 176.600 0.118 0.000 1.000 254 E CA 1.222 57.671 56.400 0.081 0.000 0.804 254 E CB -0.102 29.659 29.700 0.102 0.000 0.740 254 E HN 0.254 nan 8.360 nan 0.000 0.454 255 F N -0.398 119.602 119.950 0.084 0.000 2.234 255 F HA -0.025 4.520 4.527 0.030 0.000 0.299 255 F C 1.302 177.114 175.800 0.020 0.000 1.087 255 F CA 1.776 59.835 58.000 0.099 0.000 1.340 255 F CB 0.370 39.548 39.000 0.297 0.000 1.031 255 F HN 0.095 nan 8.300 nan 0.000 0.500 256 G N 0.783 109.562 108.800 -0.035 0.000 2.148 256 G HA2 -0.081 3.895 3.960 0.026 0.000 0.120 256 G HA3 -0.081 3.895 3.960 0.026 0.000 0.120 256 G C -0.274 174.607 174.900 -0.032 0.000 1.034 256 G CA -0.118 44.892 45.100 -0.152 0.000 0.710 256 G HN 0.300 nan 8.290 nan 0.000 0.495 257 I N 1.307 121.934 120.570 0.096 0.000 2.433 257 I HA 0.330 4.516 4.170 0.026 0.000 0.292 257 I C -0.228 175.901 176.117 0.020 0.000 1.001 257 I CA -0.872 60.482 61.300 0.090 0.000 1.119 257 I CB 1.703 39.804 38.000 0.169 0.000 1.289 257 I HN 0.063 nan 8.210 nan 0.000 0.438 258 D N 7.599 128.010 120.400 0.018 0.000 2.382 258 D HA 0.104 4.759 4.640 0.026 0.000 0.245 258 D C -1.759 174.524 176.300 -0.027 0.000 1.120 258 D CA -1.424 52.575 54.000 -0.003 0.000 0.890 258 D CB 2.004 42.812 40.800 0.013 0.000 1.201 258 D HN 0.209 nan 8.370 nan 0.000 0.433 259 P HA -0.194 nan 4.420 nan 0.000 0.220 259 P C 1.224 178.495 177.300 -0.049 0.000 1.144 259 P CA 1.420 64.481 63.100 -0.065 0.000 0.800 259 P CB 0.038 31.704 31.700 -0.056 0.000 0.772 260 Q N -0.169 119.619 119.800 -0.020 0.000 2.170 260 Q HA -0.162 4.194 4.340 0.026 0.000 0.203 260 Q C 0.820 176.808 176.000 -0.022 0.000 0.976 260 Q CA 1.681 57.481 55.803 -0.005 0.000 0.858 260 Q CB -1.187 27.565 28.738 0.024 0.000 0.907 260 Q HN 0.321 nan 8.270 nan 0.000 0.433 261 N N 0.106 118.793 118.700 -0.022 0.000 2.295 261 N HA 0.225 4.981 4.740 0.026 0.000 0.221 261 N C -0.776 174.668 175.510 -0.110 0.000 1.129 261 N CA -0.115 52.906 53.050 -0.049 0.000 0.836 261 N CB 0.512 39.026 38.487 0.044 0.000 1.040 261 N HN 0.280 nan 8.380 nan 0.000 0.494 262 M N 1.277 120.803 119.600 -0.122 0.000 2.321 262 M HA 0.394 4.890 4.480 0.026 0.000 0.315 262 M C -1.902 174.312 176.300 -0.144 0.000 1.052 262 M CA -0.662 54.550 55.300 -0.147 0.000 0.936 262 M CB 1.489 33.989 32.600 -0.167 0.000 1.639 262 M HN -0.083 nan 8.290 nan 0.000 0.433 263 L N 4.750 125.889 121.223 -0.140 0.000 2.313 263 L HA 0.490 4.846 4.340 0.026 0.000 0.283 263 L C -0.164 176.642 176.870 -0.107 0.000 1.013 263 L CA -0.629 54.145 54.840 -0.111 0.000 0.816 263 L CB 1.768 43.766 42.059 -0.103 0.000 1.236 263 L HN 0.696 nan 8.230 nan 0.000 0.419 264 E N 3.475 123.570 120.200 -0.177 0.000 2.250 264 E HA 0.663 5.029 4.350 0.026 0.000 0.269 264 E C -1.060 175.178 176.600 -0.602 0.000 1.018 264 E CA -0.653 55.533 56.400 -0.356 0.000 0.873 264 E CB 1.889 31.335 29.700 -0.423 0.000 1.134 264 E HN 0.440 nan 8.360 nan 0.000 0.403 265 F N -1.614 117.715 119.950 -1.036 0.000 2.876 265 F HA 0.728 5.268 4.527 0.021 0.000 0.358 265 F C -0.847 174.048 175.800 -1.509 0.000 1.209 265 F CA -1.284 55.807 58.000 -1.515 0.000 1.051 265 F CB 1.222 39.856 39.000 -0.610 0.000 1.474 265 F HN 0.348 nan 8.300 nan 0.000 0.521 266 W N 0.895 121.908 121.300 -0.477 0.000 2.975 266 W HA 0.191 4.867 4.660 0.027 0.000 0.342 266 W C 0.046 176.150 176.519 -0.693 0.000 1.168 266 W CA -0.338 56.528 57.345 -0.798 0.000 1.141 266 W CB 1.306 29.862 29.460 -1.507 0.000 1.445 266 W HN 0.706 nan 8.180 nan 0.000 0.560 267 D N -0.633 119.571 120.400 -0.327 0.000 2.263 267 D HA -0.193 4.463 4.640 0.026 0.000 0.208 267 D C 1.443 177.750 176.300 0.012 0.000 0.971 267 D CA 1.172 55.091 54.000 -0.134 0.000 0.867 267 D CB -0.553 40.227 40.800 -0.033 0.000 0.929 267 D HN 0.530 nan 8.370 nan 0.000 0.492 268 W N 0.641 122.055 121.300 0.191 0.000 3.292 268 W HA 0.360 5.037 4.660 0.030 0.000 0.263 268 W C -0.612 176.025 176.519 0.197 0.000 1.318 268 W CA -0.655 56.771 57.345 0.135 0.000 1.663 268 W CB -0.424 29.070 29.460 0.057 0.000 1.114 268 W HN -0.257 nan 8.180 nan 0.000 0.706 269 V N 2.562 122.665 119.914 0.316 0.000 2.304 269 V HA 0.422 4.558 4.120 0.026 0.000 0.269 269 V C 0.994 177.322 176.094 0.391 0.000 1.036 269 V CA -0.677 61.883 62.300 0.433 0.000 0.840 269 V CB 0.303 32.404 31.823 0.464 0.000 1.036 269 V HN 0.145 nan 8.190 nan 0.000 0.466 270 G N 3.250 112.310 108.800 0.433 0.000 2.398 270 G HA2 0.365 4.340 3.960 0.026 0.000 0.246 270 G HA3 0.365 4.340 3.960 0.026 0.000 0.246 270 G C 1.163 176.258 174.900 0.324 0.000 1.289 270 G CA 0.222 45.566 45.100 0.407 0.000 0.869 270 G HN 0.882 nan 8.290 nan 0.000 0.543 271 G N 2.201 111.122 108.800 0.202 0.000 2.556 271 G HA2 -0.319 3.657 3.960 0.026 0.000 0.220 271 G HA3 -0.319 3.657 3.960 0.026 0.000 0.220 271 G C 1.668 176.566 174.900 -0.004 0.000 1.156 271 G CA 1.021 46.183 45.100 0.103 0.000 0.766 271 G HN 0.812 nan 8.290 nan 0.000 0.583 272 R N -0.910 119.533 120.500 -0.094 0.000 2.328 272 R HA 0.170 4.526 4.340 0.026 0.000 0.200 272 R C 0.360 176.339 176.300 -0.536 0.000 0.983 272 R CA 0.457 56.331 56.100 -0.376 0.000 1.062 272 R CB -0.253 29.739 30.300 -0.514 0.000 0.956 272 R HN 0.472 nan 8.270 nan 0.000 0.479 273 Y N 0.444 120.772 120.300 0.047 0.000 2.719 273 Y HA 0.186 4.749 4.550 0.022 0.000 0.251 273 Y C 1.255 177.312 175.900 0.260 0.000 1.159 273 Y CA -0.373 57.799 58.100 0.121 0.000 1.166 273 Y CB 1.293 39.709 38.460 -0.074 0.000 1.219 273 Y HN 0.199 nan 8.280 nan 0.000 0.551 274 S N -0.691 115.117 115.700 0.180 0.000 2.524 274 S HA -0.025 4.461 4.470 0.026 0.000 0.215 274 S C 1.619 176.168 174.600 -0.085 0.000 0.986 274 S CA 0.066 58.305 58.200 0.065 0.000 0.911 274 S CB -0.518 62.620 63.200 -0.103 0.000 0.805 274 S HN 0.459 nan 8.310 nan 0.000 0.501 275 L N -1.488 119.590 121.223 -0.241 0.000 2.265 275 L HA 0.294 4.650 4.340 0.026 0.000 0.215 275 L C 1.802 178.538 176.870 -0.223 0.000 1.117 275 L CA 0.895 55.520 54.840 -0.358 0.000 0.782 275 L CB -1.537 40.182 42.059 -0.565 0.000 0.914 275 L HN 0.355 nan 8.230 nan 0.000 0.441 276 W N 0.886 122.267 121.300 0.136 0.000 2.800 276 W HA 0.195 4.869 4.660 0.024 0.000 0.249 276 W C 1.796 178.474 176.519 0.266 0.000 1.294 276 W CA 0.360 57.799 57.345 0.157 0.000 1.402 276 W CB -0.720 28.809 29.460 0.115 0.000 1.126 276 W HN 0.377 nan 8.180 nan 0.000 0.652 277 S N 0.184 116.080 115.700 0.327 0.000 2.623 277 S HA 0.676 5.162 4.470 0.026 0.000 0.287 277 S C 1.652 176.303 174.600 0.085 0.000 1.123 277 S CA -0.116 58.216 58.200 0.220 0.000 1.016 277 S CB 0.592 63.796 63.200 0.008 0.000 1.233 277 S HN 0.018 nan 8.310 nan 0.000 0.512 278 A N 0.479 123.270 122.820 -0.048 0.000 1.997 278 A HA -0.063 4.273 4.320 0.026 0.000 0.221 278 A C 2.110 179.579 177.584 -0.192 0.000 1.172 278 A CA 1.632 53.611 52.037 -0.096 0.000 0.645 278 A CB -1.262 17.698 19.000 -0.067 0.000 0.813 278 A HN 0.738 nan 8.150 nan 0.000 0.454 279 I N -0.034 120.315 120.570 -0.368 0.000 2.399 279 I HA -0.225 3.961 4.170 0.026 0.000 0.254 279 I C 2.305 178.321 176.117 -0.168 0.000 1.146 279 I CA 1.542 62.662 61.300 -0.301 0.000 1.412 279 I CB -1.671 36.071 38.000 -0.430 0.000 1.076 279 I HN 0.392 nan 8.210 nan 0.000 0.432 280 G N 0.279 108.998 108.800 -0.136 0.000 3.061 280 G HA2 -0.037 3.938 3.960 0.026 0.000 0.208 280 G HA3 -0.037 3.938 3.960 0.026 0.000 0.208 280 G C 1.577 176.245 174.900 -0.387 0.000 1.175 280 G CA -0.165 44.841 45.100 -0.157 0.000 0.812 280 G HN 0.276 nan 8.290 nan 0.000 0.523 281 L N 2.015 123.078 121.223 -0.266 0.000 2.013 281 L HA -0.168 4.188 4.340 0.026 0.000 0.212 281 L C 3.061 179.837 176.870 -0.157 0.000 1.073 281 L CA 2.716 57.426 54.840 -0.218 0.000 0.753 281 L CB -0.620 41.378 42.059 -0.102 0.000 0.890 281 L HN 0.308 nan 8.230 nan 0.000 0.432 282 S N -0.954 114.687 115.700 -0.099 0.000 2.399 282 S HA -0.185 4.300 4.470 0.026 0.000 0.231 282 S C 2.020 176.618 174.600 -0.003 0.000 1.022 282 S CA 1.453 59.615 58.200 -0.064 0.000 0.983 282 S CB -1.059 62.093 63.200 -0.080 0.000 0.803 282 S HN 0.547 nan 8.310 nan 0.000 0.480 283 I N 2.425 122.986 120.570 -0.016 0.000 2.142 283 I HA -0.135 4.051 4.170 0.026 0.000 0.240 283 I C 3.115 179.249 176.117 0.029 0.000 1.078 283 I CA 1.288 62.619 61.300 0.052 0.000 1.343 283 I CB -0.766 37.287 38.000 0.088 0.000 1.046 283 I HN 0.419 nan 8.210 nan 0.000 0.405 284 A N 0.848 123.556 122.820 -0.188 0.000 1.930 284 A HA -0.115 4.221 4.320 0.026 0.000 0.217 284 A C 2.315 179.904 177.584 0.009 0.000 1.175 284 A CA 1.315 53.279 52.037 -0.120 0.000 0.627 284 A CB -0.825 17.982 19.000 -0.321 0.000 0.815 284 A HN 0.382 nan 8.150 nan 0.000 0.443 285 L N -1.705 119.508 121.223 -0.018 0.000 2.083 285 L HA -0.187 4.169 4.340 0.026 0.000 0.209 285 L C 2.638 179.545 176.870 0.061 0.000 1.083 285 L CA 1.650 56.481 54.840 -0.016 0.000 0.752 285 L CB -0.466 41.555 42.059 -0.064 0.000 0.899 285 L HN 0.576 nan 8.230 nan 0.000 0.433 286 H N -0.422 118.638 119.070 -0.016 0.000 2.343 286 H HA -0.070 4.502 4.556 0.027 0.000 0.303 286 H C 1.847 177.208 175.328 0.054 0.000 1.068 286 H CA 1.846 57.900 56.048 0.010 0.000 1.359 286 H CB 0.193 29.969 29.762 0.024 0.000 1.402 286 H HN 0.153 nan 8.280 nan 0.000 0.515 287 V N -2.869 117.097 119.914 0.087 0.000 3.660 287 V HA 0.477 4.613 4.120 0.026 0.000 0.276 287 V C 0.897 177.110 176.094 0.198 0.000 1.317 287 V CA 0.514 62.884 62.300 0.117 0.000 1.097 287 V CB -0.326 31.598 31.823 0.169 0.000 0.863 287 V HN 0.685 nan 8.190 nan 0.000 0.438 288 G N -0.170 108.704 108.800 0.123 0.000 2.692 288 G HA2 -0.215 3.760 3.960 0.026 0.000 0.686 288 G HA3 -0.215 3.760 3.960 0.026 0.000 0.686 288 G C -0.406 174.586 174.900 0.153 0.000 1.243 288 G CA -0.042 45.121 45.100 0.104 0.000 0.782 288 G HN 0.398 nan 8.290 nan 0.000 0.625 289 F N 0.904 120.882 119.950 0.046 0.000 2.171 289 F HA -0.013 4.529 4.527 0.025 0.000 0.300 289 F C 2.317 178.198 175.800 0.135 0.000 1.090 289 F CA 2.447 60.517 58.000 0.117 0.000 1.293 289 F CB 0.073 39.121 39.000 0.081 0.000 1.013 289 F HN 0.528 nan 8.300 nan 0.000 0.486 290 D N -0.690 119.770 120.400 0.101 0.000 2.104 290 D HA -0.222 4.434 4.640 0.026 0.000 0.194 290 D C 2.067 178.319 176.300 -0.080 0.000 0.994 290 D CA 2.006 55.991 54.000 -0.025 0.000 0.830 290 D CB -0.710 40.026 40.800 -0.108 0.000 0.959 290 D HN 0.485 nan 8.370 nan 0.000 0.452 291 H N -1.372 117.691 119.070 -0.012 0.000 2.389 291 H HA -0.048 4.524 4.556 0.026 0.000 0.299 291 H C 1.802 177.086 175.328 -0.074 0.000 1.081 291 H CA 0.607 56.614 56.048 -0.068 0.000 1.345 291 H CB -0.054 29.669 29.762 -0.066 0.000 1.393 291 H HN 0.056 nan 8.280 nan 0.000 0.520 292 F N 1.975 121.863 119.950 -0.102 0.000 2.126 292 F HA -0.189 4.353 4.527 0.025 0.000 0.299 292 F C 2.151 177.794 175.800 -0.262 0.000 1.096 292 F CA 1.492 59.368 58.000 -0.208 0.000 1.255 292 F CB -0.100 38.723 39.000 -0.294 0.000 0.997 292 F HN 0.106 nan 8.300 nan 0.000 0.479 293 E N -0.398 119.564 120.200 -0.397 0.000 2.110 293 E HA -0.278 4.088 4.350 0.026 0.000 0.193 293 E C 2.142 178.638 176.600 -0.173 0.000 0.988 293 E CA 1.566 57.770 56.400 -0.327 0.000 0.804 293 E CB -0.195 29.384 29.700 -0.203 0.000 0.745 293 E HN 0.610 nan 8.360 nan 0.000 0.458 294 Q N 0.311 120.054 119.800 -0.095 0.000 2.119 294 Q HA -0.154 4.202 4.340 0.026 0.000 0.201 294 Q C 2.297 178.270 176.000 -0.045 0.000 0.972 294 Q CA 0.834 56.638 55.803 0.001 0.000 0.847 294 Q CB -0.116 28.643 28.738 0.036 0.000 0.903 294 Q HN 0.192 nan 8.270 nan 0.000 0.433 295 L N 0.707 121.853 121.223 -0.128 0.000 1.989 295 L HA -0.220 4.136 4.340 0.026 0.000 0.211 295 L C 1.955 178.785 176.870 -0.067 0.000 1.071 295 L CA 1.661 56.426 54.840 -0.124 0.000 0.749 295 L CB -0.392 41.563 42.059 -0.174 0.000 0.890 295 L HN 0.217 nan 8.230 nan 0.000 0.431 296 L N -1.133 119.978 121.223 -0.187 0.000 2.043 296 L HA -0.264 4.091 4.340 0.026 0.000 0.212 296 L C 2.751 179.561 176.870 -0.098 0.000 1.075 296 L CA 1.684 56.454 54.840 -0.116 0.000 0.752 296 L CB -0.945 40.984 42.059 -0.216 0.000 0.891 296 L HN 0.406 nan 8.230 nan 0.000 0.432 297 S N -0.083 115.570 115.700 -0.078 0.000 2.382 297 S HA -0.126 4.359 4.470 0.026 0.000 0.228 297 S C 1.982 176.464 174.600 -0.197 0.000 1.027 297 S CA 1.333 59.546 58.200 0.022 0.000 0.991 297 S CB -0.380 62.926 63.200 0.176 0.000 0.823 297 S HN 0.541 nan 8.310 nan 0.000 0.469 298 G N 0.606 108.994 108.800 -0.686 0.000 2.402 298 G HA2 0.003 3.979 3.960 0.026 0.000 0.216 298 G HA3 0.003 3.979 3.960 0.026 0.000 0.216 298 G C 1.658 176.287 174.900 -0.452 0.000 1.162 298 G CA 0.870 45.169 45.100 -1.336 0.000 0.777 298 G HN 0.658 nan 8.290 nan 0.000 0.539 299 A N 0.488 123.151 122.820 -0.262 0.000 1.877 299 A HA -0.113 4.223 4.320 0.026 0.000 0.216 299 A C 2.102 179.625 177.584 -0.100 0.000 1.186 299 A CA 2.102 53.986 52.037 -0.255 0.000 0.620 299 A CB -0.855 17.705 19.000 -0.734 0.000 0.822 299 A HN 0.501 nan 8.150 nan 0.000 0.443 300 H N -2.130 116.855 119.070 -0.142 0.000 2.353 300 H HA -0.231 4.340 4.556 0.026 0.000 0.298 300 H C 1.754 177.128 175.328 0.076 0.000 1.103 300 H CA 2.277 58.309 56.048 -0.026 0.000 1.293 300 H CB -0.448 29.310 29.762 -0.006 0.000 1.372 300 H HN 0.697 nan 8.280 nan 0.000 0.501 301 W N 0.129 121.377 121.300 -0.086 0.000 2.335 301 W HA -0.275 4.400 4.660 0.025 0.000 0.311 301 W C 2.425 178.939 176.519 -0.009 0.000 1.213 301 W CA 1.939 59.267 57.345 -0.028 0.000 1.274 301 W CB -0.344 29.183 29.460 0.111 0.000 1.148 301 W HN 0.296 nan 8.180 nan 0.000 0.498 302 M N 1.048 120.878 119.600 0.384 0.000 2.159 302 M HA -0.185 4.311 4.480 0.026 0.000 0.263 302 M C 1.385 177.829 176.300 0.240 0.000 1.063 302 M CA 2.082 57.588 55.300 0.343 0.000 1.110 302 M CB -0.851 31.932 32.600 0.305 0.000 1.374 302 M HN -0.115 nan 8.290 nan 0.000 0.411 303 D N -0.298 120.213 120.400 0.185 0.000 2.104 303 D HA -0.190 4.466 4.640 0.026 0.000 0.194 303 D C 2.021 178.357 176.300 0.060 0.000 0.994 303 D CA 1.243 55.417 54.000 0.291 0.000 0.830 303 D CB -0.329 40.600 40.800 0.214 0.000 0.959 303 D HN 0.437 nan 8.370 nan 0.000 0.452 304 Q N -0.322 119.340 119.800 -0.230 0.000 2.119 304 Q HA -0.146 4.210 4.340 0.026 0.000 0.201 304 Q C 2.088 177.845 176.000 -0.405 0.000 0.972 304 Q CA 0.978 56.549 55.803 -0.388 0.000 0.847 304 Q CB -0.554 27.874 28.738 -0.515 0.000 0.903 304 Q HN 0.562 nan 8.270 nan 0.000 0.433 305 H N 0.037 118.794 119.070 -0.522 0.000 2.352 305 H HA -0.157 4.415 4.556 0.026 0.000 0.299 305 H C 1.692 176.918 175.328 -0.171 0.000 1.097 305 H CA 1.761 57.547 56.048 -0.436 0.000 1.311 305 H CB -0.279 29.215 29.762 -0.447 0.000 1.377 305 H HN 0.189 nan 8.280 nan 0.000 0.504 306 F N 0.074 119.867 119.950 -0.262 0.000 2.163 306 F HA -0.053 4.490 4.527 0.026 0.000 0.297 306 F C 2.070 177.609 175.800 -0.434 0.000 1.094 306 F CA 0.960 58.786 58.000 -0.290 0.000 1.290 306 F CB -0.749 38.130 39.000 -0.203 0.000 1.017 306 F HN 0.307 nan 8.300 nan 0.000 0.483 307 L N 0.686 121.467 121.223 -0.737 0.000 2.093 307 L HA -0.113 4.243 4.340 0.026 0.000 0.208 307 L C 1.831 178.297 176.870 -0.673 0.000 1.085 307 L CA 1.861 56.105 54.840 -0.993 0.000 0.755 307 L CB -0.655 40.724 42.059 -1.132 0.000 0.904 307 L HN -0.044 nan 8.230 nan 0.000 0.435 308 K N -1.368 118.718 120.400 -0.522 0.000 2.355 308 K HA 0.274 4.610 4.320 0.026 0.000 0.198 308 K C 0.202 176.594 176.600 -0.346 0.000 1.039 308 K CA 0.139 56.187 56.287 -0.398 0.000 1.075 308 K CB 0.261 32.558 32.500 -0.337 0.000 0.870 308 K HN 0.221 nan 8.250 nan 0.000 0.540 309 T N 3.957 118.268 114.554 -0.406 0.000 2.799 309 T HA 0.303 4.669 4.350 0.026 0.000 0.286 309 T C -2.621 171.920 174.700 -0.264 0.000 0.973 309 T CA -1.584 60.308 62.100 -0.346 0.000 1.035 309 T CB 1.692 70.239 68.868 -0.535 0.000 0.932 309 T HN -0.115 nan 8.240 nan 0.000 0.469 310 P HA 0.109 nan 4.420 nan 0.000 0.265 310 P C 1.033 178.260 177.300 -0.122 0.000 1.187 310 P CA -0.100 62.915 63.100 -0.143 0.000 0.766 310 P CB 0.459 32.094 31.700 -0.108 0.000 0.820 311 L N 2.009 123.169 121.223 -0.106 0.000 2.051 311 L HA -0.271 4.084 4.340 0.026 0.000 0.214 311 L C 1.773 178.605 176.870 -0.063 0.000 1.076 311 L CA 1.859 56.654 54.840 -0.075 0.000 0.758 311 L CB -0.924 41.095 42.059 -0.067 0.000 0.890 311 L HN 0.411 nan 8.230 nan 0.000 0.433 312 E N -0.106 120.054 120.200 -0.067 0.000 2.478 312 E HA -0.115 4.251 4.350 0.026 0.000 0.198 312 E C 1.118 177.697 176.600 -0.035 0.000 1.046 312 E CA 0.758 57.121 56.400 -0.061 0.000 0.870 312 E CB -0.152 29.508 29.700 -0.066 0.000 0.818 312 E HN 0.384 nan 8.360 nan 0.000 0.527 313 K N 0.155 120.540 120.400 -0.024 0.000 2.536 313 K HA 0.153 4.489 4.320 0.026 0.000 0.203 313 K C -0.155 176.486 176.600 0.069 0.000 1.063 313 K CA -0.264 56.040 56.287 0.028 0.000 1.063 313 K CB 0.501 33.012 32.500 0.019 0.000 0.843 313 K HN -0.055 nan 8.250 nan 0.000 0.521 314 N N 1.155 119.871 118.700 0.028 0.000 2.439 314 N HA 0.166 4.922 4.740 0.026 0.000 0.249 314 N C 0.549 176.184 175.510 0.208 0.000 1.003 314 N CA 0.057 53.138 53.050 0.052 0.000 0.942 314 N CB 1.563 40.035 38.487 -0.025 0.000 1.115 314 N HN 0.117 nan 8.380 nan 0.000 0.505 315 A N 6.865 129.982 122.820 0.496 0.000 1.859 315 A HA -0.073 4.263 4.320 0.026 0.000 0.217 315 A C -0.592 177.049 177.584 0.095 0.000 1.198 315 A CA 1.376 53.553 52.037 0.234 0.000 0.629 315 A CB -1.324 17.772 19.000 0.160 0.000 0.830 315 A HN 0.625 nan 8.150 nan 0.000 0.446 316 P HA -0.079 nan 4.420 nan 0.000 0.218 316 P C 1.631 178.921 177.300 -0.016 0.000 1.149 316 P CA 1.350 64.433 63.100 -0.029 0.000 0.817 316 P CB -0.277 31.349 31.700 -0.123 0.000 0.785 317 V N 0.404 120.361 119.914 0.071 0.000 2.295 317 V HA -0.220 3.916 4.120 0.026 0.000 0.246 317 V C 2.760 178.832 176.094 -0.038 0.000 1.049 317 V CA 1.614 63.948 62.300 0.057 0.000 1.024 317 V CB -1.251 30.630 31.823 0.096 0.000 0.648 317 V HN 0.025 nan 8.190 nan 0.000 0.447 318 L N -0.827 120.347 121.223 -0.082 0.000 2.083 318 L HA -0.177 4.179 4.340 0.026 0.000 0.209 318 L C 2.414 179.184 176.870 -0.167 0.000 1.083 318 L CA 1.419 56.138 54.840 -0.203 0.000 0.752 318 L CB -0.504 41.323 42.059 -0.387 0.000 0.899 318 L HN 0.321 nan 8.230 nan 0.000 0.433 319 L N -0.476 120.684 121.223 -0.104 0.000 2.046 319 L HA -0.189 4.167 4.340 0.026 0.000 0.208 319 L C 2.892 179.745 176.870 -0.028 0.000 1.077 319 L CA 1.134 55.947 54.840 -0.045 0.000 0.747 319 L CB -0.692 41.320 42.059 -0.078 0.000 0.896 319 L HN 0.239 nan 8.230 nan 0.000 0.432 320 A N 0.257 123.041 122.820 -0.060 0.000 1.877 320 A HA -0.167 4.169 4.320 0.026 0.000 0.216 320 A C 2.238 179.776 177.584 -0.076 0.000 1.186 320 A CA 1.416 53.404 52.037 -0.080 0.000 0.620 320 A CB -0.706 18.237 19.000 -0.095 0.000 0.822 320 A HN 0.341 nan 8.150 nan 0.000 0.443 321 L N -0.661 120.518 121.223 -0.072 0.000 2.046 321 L HA -0.193 4.163 4.340 0.026 0.000 0.208 321 L C 2.580 179.447 176.870 -0.004 0.000 1.077 321 L CA 1.133 55.938 54.840 -0.059 0.000 0.747 321 L CB -0.630 41.374 42.059 -0.092 0.000 0.896 321 L HN 0.364 nan 8.230 nan 0.000 0.432 322 L N -0.372 120.847 121.223 -0.007 0.000 2.042 322 L HA -0.178 4.178 4.340 0.026 0.000 0.210 322 L C 2.691 179.647 176.870 0.144 0.000 1.076 322 L CA 1.477 56.343 54.840 0.042 0.000 0.749 322 L CB -1.218 40.920 42.059 0.131 0.000 0.893 322 L HN 0.340 nan 8.230 nan 0.000 0.432 323 G N 0.302 109.217 108.800 0.193 0.000 2.421 323 G HA2 -0.230 3.746 3.960 0.026 0.000 0.216 323 G HA3 -0.230 3.746 3.960 0.026 0.000 0.216 323 G C 1.511 176.577 174.900 0.277 0.000 1.171 323 G CA 0.575 45.837 45.100 0.269 0.000 0.775 323 G HN 0.156 nan 8.290 nan 0.000 0.543 324 I N 0.007 120.677 120.570 0.167 0.000 2.163 324 I HA -0.177 4.008 4.170 0.026 0.000 0.243 324 I C 2.424 178.733 176.117 0.319 0.000 1.085 324 I CA 0.913 62.342 61.300 0.214 0.000 1.347 324 I CB -1.222 36.812 38.000 0.057 0.000 1.044 324 I HN 0.490 nan 8.210 nan 0.000 0.408 325 W N 1.259 122.572 121.300 0.022 0.000 2.318 325 W HA -0.318 4.358 4.660 0.026 0.000 0.313 325 W C 2.512 179.091 176.519 0.100 0.000 1.221 325 W CA 1.509 58.837 57.345 -0.028 0.000 1.266 325 W CB -0.416 28.909 29.460 -0.225 0.000 1.150 325 W HN 0.106 nan 8.180 nan 0.000 0.496 326 Y N 0.169 120.659 120.300 0.316 0.000 2.337 326 Y HA -0.087 4.479 4.550 0.026 0.000 0.293 326 Y C 2.418 178.437 175.900 0.197 0.000 1.123 326 Y CA 1.238 59.459 58.100 0.201 0.000 1.201 326 Y CB -1.039 37.533 38.460 0.188 0.000 1.011 326 Y HN -0.093 nan 8.280 nan 0.000 0.545 327 I N -0.257 120.539 120.570 0.377 0.000 2.235 327 I HA -0.235 3.951 4.170 0.026 0.000 0.241 327 I C 1.342 177.611 176.117 0.253 0.000 1.085 327 I CA 1.496 62.990 61.300 0.324 0.000 1.378 327 I CB -0.249 38.005 38.000 0.423 0.000 1.076 327 I HN 0.131 nan 8.210 nan 0.000 0.415 328 N N -0.965 117.911 118.700 0.293 0.000 2.392 328 N HA -0.004 4.752 4.740 0.026 0.000 0.177 328 N C 1.459 177.065 175.510 0.160 0.000 1.066 328 N CA 0.464 53.693 53.050 0.298 0.000 0.895 328 N CB 0.258 39.013 38.487 0.447 0.000 0.988 328 N HN 0.313 nan 8.380 nan 0.000 0.457 329 C N -1.160 118.088 119.300 -0.086 0.000 2.480 329 C HA 0.193 4.669 4.460 0.026 0.000 0.304 329 C C 1.849 176.339 174.990 -0.834 0.000 1.399 329 C CA -0.161 58.470 59.018 -0.646 0.000 1.900 329 C CB -0.900 26.195 27.740 -1.075 0.000 2.194 329 C HN 0.406 nan 8.230 nan 0.000 0.550 330 Y N 1.355 121.377 120.300 -0.462 0.000 2.519 330 Y HA 0.237 4.803 4.550 0.026 0.000 0.287 330 Y C 2.120 178.014 175.900 -0.011 0.000 1.128 330 Y CA 1.274 59.288 58.100 -0.142 0.000 1.282 330 Y CB -0.408 38.068 38.460 0.027 0.000 1.027 330 Y HN 0.464 nan 8.280 nan 0.000 0.551 331 G N -0.266 108.615 108.800 0.136 0.000 2.176 331 G HA2 -0.295 3.681 3.960 0.026 0.000 0.252 331 G HA3 -0.295 3.681 3.960 0.026 0.000 0.252 331 G C -0.209 174.774 174.900 0.138 0.000 1.024 331 G CA -0.039 45.132 45.100 0.119 0.000 0.755 331 G HN 0.296 nan 8.290 nan 0.000 0.507 332 C N 0.488 119.899 119.300 0.184 0.000 2.576 332 C HA 0.349 4.825 4.460 0.026 0.000 0.401 332 C C 1.808 176.886 174.990 0.147 0.000 1.314 332 C CA -0.213 58.897 59.018 0.154 0.000 1.855 332 C CB 0.565 28.401 27.740 0.159 0.000 2.537 332 C HN 0.624 nan 8.230 nan 0.000 0.578 333 E N 0.606 120.869 120.200 0.105 0.000 2.285 333 E HA -0.063 4.303 4.350 0.026 0.000 0.194 333 E C 1.119 177.796 176.600 0.128 0.000 0.997 333 E CA 0.911 57.363 56.400 0.085 0.000 0.845 333 E CB 0.295 30.016 29.700 0.034 0.000 0.782 333 E HN 0.904 nan 8.360 nan 0.000 0.491 334 T N -2.309 112.352 114.554 0.178 0.000 2.907 334 T HA 0.447 4.813 4.350 0.026 0.000 0.290 334 T C -1.121 173.781 174.700 0.337 0.000 1.066 334 T CA -0.913 61.355 62.100 0.281 0.000 1.012 334 T CB 2.226 71.305 68.868 0.351 0.000 1.184 334 T HN 0.050 nan 8.240 nan 0.000 0.522 335 H N -0.274 118.938 119.070 0.236 0.000 2.877 335 H HA 0.670 5.242 4.556 0.026 0.000 0.347 335 H C -0.916 174.347 175.328 -0.108 0.000 1.042 335 H CA -0.185 55.923 56.048 0.100 0.000 1.276 335 H CB 1.402 31.240 29.762 0.128 0.000 1.681 335 H HN 1.076 nan 8.280 nan 0.000 0.521 336 A N 5.605 128.032 122.820 -0.655 0.000 2.305 336 A HA 0.578 4.913 4.320 0.026 0.000 0.322 336 A C -1.060 176.178 177.584 -0.578 0.000 1.187 336 A CA -0.742 50.748 52.037 -0.912 0.000 0.825 336 A CB 0.564 18.834 19.000 -1.216 0.000 1.164 336 A HN 0.683 nan 8.150 nan 0.000 0.498 337 L N 3.115 124.117 121.223 -0.368 0.000 2.298 337 L HA 0.443 4.799 4.340 0.026 0.000 0.284 337 L C -0.996 175.816 176.870 -0.096 0.000 1.013 337 L CA -0.147 54.630 54.840 -0.106 0.000 0.824 337 L CB 1.129 43.226 42.059 0.063 0.000 1.221 337 L HN 0.616 nan 8.230 nan 0.000 0.418 338 L N 5.778 126.938 121.223 -0.106 0.000 2.488 338 L HA 0.367 4.723 4.340 0.026 0.000 0.250 338 L C -2.370 174.570 176.870 0.116 0.000 1.280 338 L CA -1.554 53.224 54.840 -0.104 0.000 0.929 338 L CB 1.243 43.034 42.059 -0.446 0.000 1.200 338 L HN 0.334 nan 8.230 nan 0.000 0.495 339 P HA 0.041 nan 4.420 nan 0.000 0.282 339 P C -0.823 176.627 177.300 0.251 0.000 1.262 339 P CA -0.129 63.109 63.100 0.230 0.000 0.773 339 P CB 0.577 32.328 31.700 0.085 0.000 0.879 340 Y N 2.325 122.725 120.300 0.167 0.000 2.735 340 Y HA 0.277 4.842 4.550 0.026 0.000 0.354 340 Y C 0.340 176.298 175.900 0.096 0.000 1.288 340 Y CA 0.328 58.514 58.100 0.145 0.000 1.836 340 Y CB -0.405 38.188 38.460 0.221 0.000 1.920 340 Y HN 0.391 nan 8.280 nan 0.000 0.438 341 D N -0.459 120.021 120.400 0.133 0.000 2.688 341 D HA 0.086 4.742 4.640 0.026 0.000 0.210 341 D C 0.556 176.915 176.300 0.097 0.000 1.333 341 D CA -0.276 53.805 54.000 0.135 0.000 0.920 341 D CB 1.064 41.981 40.800 0.195 0.000 1.554 341 D HN 0.037 nan 8.370 nan 0.000 0.579 342 Q N 2.238 122.044 119.800 0.010 0.000 2.124 342 Q HA -0.108 4.248 4.340 0.026 0.000 0.202 342 Q C 0.904 176.947 176.000 0.070 0.000 0.977 342 Q CA 1.714 57.492 55.803 -0.042 0.000 0.850 342 Q CB -0.171 28.448 28.738 -0.199 0.000 0.901 342 Q HN 0.780 nan 8.270 nan 0.000 0.429 343 Y N -0.845 119.535 120.300 0.134 0.000 2.256 343 Y HA -0.154 4.411 4.550 0.026 0.000 0.288 343 Y C 1.562 177.600 175.900 0.230 0.000 1.155 343 Y CA 0.671 58.881 58.100 0.183 0.000 1.203 343 Y CB -0.010 38.534 38.460 0.140 0.000 0.980 343 Y HN 0.121 nan 8.280 nan 0.000 0.530 344 M N 0.465 120.260 119.600 0.326 0.000 2.654 344 M HA -0.032 4.464 4.480 0.026 0.000 0.217 344 M C 1.281 177.719 176.300 0.230 0.000 1.183 344 M CA 0.406 55.843 55.300 0.229 0.000 0.991 344 M CB -0.534 32.137 32.600 0.118 0.000 1.749 344 M HN 0.480 nan 8.290 nan 0.000 0.475 345 H N -1.148 118.000 119.070 0.130 0.000 2.489 345 H HA -0.004 4.569 4.556 0.028 0.000 0.293 345 H C 1.383 176.777 175.328 0.110 0.000 1.066 345 H CA 0.865 56.973 56.048 0.099 0.000 1.305 345 H CB 0.045 29.844 29.762 0.061 0.000 1.386 345 H HN 0.129 nan 8.280 nan 0.000 0.551 346 R N -0.253 120.067 120.500 -0.300 0.000 2.507 346 R HA 0.098 4.454 4.340 0.026 0.000 0.298 346 R C 0.661 176.958 176.300 -0.005 0.000 0.999 346 R CA -0.250 55.722 56.100 -0.213 0.000 1.082 346 R CB -0.798 29.275 30.300 -0.379 0.000 1.246 346 R HN 0.379 nan 8.270 nan 0.000 0.553 347 F N 1.527 121.453 119.950 -0.039 0.000 2.163 347 F HA -0.071 4.474 4.527 0.031 0.000 0.297 347 F C 2.078 177.949 175.800 0.117 0.000 1.094 347 F CA 1.474 59.499 58.000 0.042 0.000 1.290 347 F CB 0.044 39.097 39.000 0.088 0.000 1.017 347 F HN 0.101 nan 8.300 nan 0.000 0.483 348 A N 0.429 123.378 122.820 0.215 0.000 1.902 348 A HA -0.090 4.246 4.320 0.026 0.000 0.217 348 A C 2.396 179.995 177.584 0.024 0.000 1.181 348 A CA 1.793 53.892 52.037 0.104 0.000 0.623 348 A CB -1.578 17.485 19.000 0.104 0.000 0.818 348 A HN 0.480 nan 8.150 nan 0.000 0.443 349 A N -1.516 121.308 122.820 0.008 0.000 1.933 349 A HA -0.138 4.198 4.320 0.026 0.000 0.218 349 A C 2.131 179.646 177.584 -0.116 0.000 1.175 349 A CA 1.731 53.743 52.037 -0.040 0.000 0.628 349 A CB -0.828 18.145 19.000 -0.045 0.000 0.814 349 A HN 0.753 nan 8.150 nan 0.000 0.444 350 Y N -0.749 119.371 120.300 -0.300 0.000 2.145 350 Y HA -0.207 4.362 4.550 0.031 0.000 0.286 350 Y C 1.828 177.385 175.900 -0.571 0.000 1.145 350 Y CA 2.007 59.815 58.100 -0.488 0.000 1.148 350 Y CB -0.446 37.610 38.460 -0.672 0.000 0.981 350 Y HN 0.281 nan 8.280 nan 0.000 0.507 351 F N 0.333 120.090 119.950 -0.321 0.000 2.661 351 F HA -0.109 4.434 4.527 0.028 0.000 0.298 351 F C 2.291 177.937 175.800 -0.256 0.000 1.137 351 F CA 0.733 58.515 58.000 -0.364 0.000 1.454 351 F CB -0.207 38.546 39.000 -0.412 0.000 1.103 351 F HN 0.143 nan 8.300 nan 0.000 0.577 352 Q N 0.023 119.776 119.800 -0.078 0.000 2.061 352 Q HA -0.299 4.057 4.340 0.026 0.000 0.204 352 Q C 2.226 178.146 176.000 -0.133 0.000 0.984 352 Q CA 1.883 57.651 55.803 -0.059 0.000 0.846 352 Q CB -0.280 28.433 28.738 -0.042 0.000 0.902 352 Q HN 0.514 nan 8.270 nan 0.000 0.421 353 Q N -0.343 119.297 119.800 -0.267 0.000 2.046 353 Q HA -0.131 4.225 4.340 0.026 0.000 0.200 353 Q C 2.096 177.888 176.000 -0.347 0.000 0.975 353 Q CA 1.414 57.030 55.803 -0.312 0.000 0.836 353 Q CB -0.274 28.225 28.738 -0.398 0.000 0.896 353 Q HN 0.439 nan 8.270 nan 0.000 0.428 354 G N 0.730 109.220 108.800 -0.517 0.000 2.440 354 G HA2 -0.311 3.665 3.960 0.026 0.000 0.218 354 G HA3 -0.311 3.665 3.960 0.026 0.000 0.218 354 G C 1.203 176.038 174.900 -0.107 0.000 1.154 354 G CA 1.211 46.049 45.100 -0.437 0.000 0.767 354 G HN 0.399 nan 8.290 nan 0.000 0.552 355 D N 0.000 120.409 120.400 0.014 0.000 2.214 355 D HA 0.049 4.705 4.640 0.026 0.000 0.217 355 D C 2.773 179.096 176.300 0.039 0.000 0.973 355 D CA 0.536 54.582 54.000 0.077 0.000 0.880 355 D CB -0.162 40.701 40.800 0.105 0.000 1.031 355 D HN 0.269 nan 8.370 nan 0.000 0.468 356 M N 0.362 119.966 119.600 0.007 0.000 2.175 356 M HA -0.071 4.425 4.480 0.026 0.000 0.264 356 M C 2.148 178.437 176.300 -0.018 0.000 1.063 356 M CA 1.087 56.389 55.300 0.004 0.000 1.119 356 M CB -0.116 32.482 32.600 -0.004 0.000 1.377 356 M HN 0.025 nan 8.290 nan 0.000 0.415 357 E N -0.165 120.002 120.200 -0.055 0.000 2.216 357 E HA -0.100 4.266 4.350 0.026 0.000 0.192 357 E C 1.814 178.394 176.600 -0.034 0.000 0.988 357 E CA 0.927 57.293 56.400 -0.056 0.000 0.834 357 E CB 0.287 29.929 29.700 -0.096 0.000 0.772 357 E HN 0.370 nan 8.360 nan 0.000 0.479 358 S N 0.822 116.504 115.700 -0.030 0.000 2.345 358 S HA -0.030 4.455 4.470 0.026 0.000 0.219 358 S C 1.353 175.955 174.600 0.003 0.000 1.031 358 S CA 0.961 59.147 58.200 -0.023 0.000 0.984 358 S CB -0.015 63.187 63.200 0.003 0.000 0.874 358 S HN 0.273 nan 8.310 nan 0.000 0.451 359 N N 0.589 119.324 118.700 0.058 0.000 2.205 359 N HA 0.170 4.926 4.740 0.026 0.000 0.201 359 N C 0.497 176.034 175.510 0.044 0.000 1.128 359 N CA 0.042 53.164 53.050 0.121 0.000 0.867 359 N CB 0.365 39.035 38.487 0.305 0.000 0.996 359 N HN 0.300 nan 8.380 nan 0.000 0.503 360 G N 1.281 110.094 108.800 0.021 0.000 3.008 360 G HA2 0.121 4.096 3.960 0.026 0.000 0.272 360 G HA3 0.121 4.096 3.960 0.026 0.000 0.272 360 G C 0.144 175.064 174.900 0.032 0.000 0.764 360 G CA 0.091 45.189 45.100 -0.004 0.000 2.029 360 G HN -0.124 nan 8.290 nan 0.000 0.587 361 K N 0.506 120.927 120.400 0.036 0.000 2.482 361 K HA 0.302 4.637 4.320 0.026 0.000 0.257 361 K C -0.541 176.141 176.600 0.138 0.000 0.969 361 K CA -0.951 55.407 56.287 0.118 0.000 0.842 361 K CB 2.001 34.560 32.500 0.098 0.000 1.359 361 K HN 0.446 nan 8.250 nan 0.000 0.441 362 Y N -1.155 119.122 120.300 -0.039 0.000 2.666 362 Y HA 0.431 4.992 4.550 0.018 0.000 0.260 362 Y C -0.236 175.635 175.900 -0.049 0.000 1.089 362 Y CA -0.576 57.474 58.100 -0.083 0.000 1.246 362 Y CB 0.868 39.278 38.460 -0.083 0.000 1.353 362 Y HN 0.161 nan 8.280 nan 0.000 0.558 363 I N 2.964 123.345 120.570 -0.314 0.000 2.433 363 I HA 0.303 4.489 4.170 0.026 0.000 0.292 363 I C 0.441 176.536 176.117 -0.035 0.000 1.001 363 I CA -0.708 60.425 61.300 -0.278 0.000 1.119 363 I CB 1.707 39.492 38.000 -0.358 0.000 1.289 363 I HN 0.307 nan 8.210 nan 0.000 0.438 364 T N 1.677 116.227 114.554 -0.007 0.000 2.862 364 T HA 0.277 4.643 4.350 0.026 0.000 0.276 364 T C 1.099 175.846 174.700 0.078 0.000 0.974 364 T CA -0.567 61.579 62.100 0.077 0.000 0.966 364 T CB 1.571 70.474 68.868 0.058 0.000 1.072 364 T HN 0.667 nan 8.240 nan 0.000 0.538 365 K N 0.072 120.486 120.400 0.023 0.000 2.211 365 K HA -0.131 4.204 4.320 0.026 0.000 0.204 365 K C 2.181 178.655 176.600 -0.211 0.000 1.047 365 K CA 1.619 57.718 56.287 -0.314 0.000 0.935 365 K CB -0.451 31.762 32.500 -0.478 0.000 0.728 365 K HN 0.716 nan 8.250 nan 0.000 0.452 366 S N -1.526 114.117 115.700 -0.095 0.000 2.562 366 S HA 0.112 4.597 4.470 0.026 0.000 0.221 366 S C 1.318 175.888 174.600 -0.050 0.000 0.975 366 S CA 0.537 58.695 58.200 -0.070 0.000 0.918 366 S CB 0.366 63.541 63.200 -0.041 0.000 0.772 366 S HN 0.520 nan 8.310 nan 0.000 0.531 367 G N 0.674 109.449 108.800 -0.042 0.000 2.175 367 G HA2 -0.096 3.880 3.960 0.026 0.000 0.244 367 G HA3 -0.096 3.880 3.960 0.026 0.000 0.244 367 G C 0.274 175.138 174.900 -0.061 0.000 0.982 367 G CA -0.099 44.972 45.100 -0.047 0.000 0.641 367 G HN 1.280 nan 8.290 nan 0.000 0.527 368 A N 0.407 123.200 122.820 -0.045 0.000 2.462 368 A HA 0.620 4.956 4.320 0.026 0.000 0.243 368 A C 0.849 178.387 177.584 -0.077 0.000 1.076 368 A CA 0.289 52.301 52.037 -0.042 0.000 0.773 368 A CB 0.282 19.275 19.000 -0.012 0.000 1.010 368 A HN 0.575 nan 8.150 nan 0.000 0.493 369 R N 1.979 122.437 120.500 -0.070 0.000 2.298 369 R HA 0.321 4.677 4.340 0.026 0.000 0.310 369 R C 0.100 176.362 176.300 -0.065 0.000 1.068 369 R CA -0.187 55.866 56.100 -0.077 0.000 0.957 369 R CB 0.291 30.589 30.300 -0.003 0.000 1.003 369 R HN 0.774 nan 8.270 nan 0.000 0.454 370 V N 1.897 121.738 119.914 -0.122 0.000 2.788 370 V HA -0.007 4.129 4.120 0.026 0.000 0.307 370 V C 0.298 176.269 176.094 -0.205 0.000 1.069 370 V CA -0.054 62.079 62.300 -0.279 0.000 1.173 370 V CB 0.891 32.347 31.823 -0.611 0.000 0.925 370 V HN 0.883 nan 8.190 nan 0.000 0.492 371 D N 1.714 122.023 120.400 -0.152 0.000 2.670 371 D HA 0.243 4.899 4.640 0.026 0.000 0.255 371 D C -0.016 176.299 176.300 0.025 0.000 1.286 371 D CA 0.076 54.056 54.000 -0.033 0.000 0.830 371 D CB -0.553 40.274 40.800 0.045 0.000 1.065 371 D HN 1.055 nan 8.370 nan 0.000 0.486 372 H N -3.616 115.431 119.070 -0.039 0.000 3.017 372 H HA 0.515 5.088 4.556 0.027 0.000 0.346 372 H C -0.627 174.617 175.328 -0.140 0.000 1.286 372 H CA -1.070 54.943 56.048 -0.058 0.000 1.120 372 H CB 0.512 30.227 29.762 -0.078 0.000 1.860 372 H HN -0.307 nan 8.280 nan 0.000 0.542 373 Q N 0.970 120.770 119.800 -0.001 0.000 2.392 373 Q HA 0.246 4.602 4.340 0.026 0.000 0.262 373 Q C 0.316 176.024 176.000 -0.487 0.000 1.003 373 Q CA 0.755 56.459 55.803 -0.166 0.000 0.888 373 Q CB 1.438 30.145 28.738 -0.052 0.000 1.260 373 Q HN 0.987 nan 8.270 nan 0.000 0.435 374 T N -2.135 112.006 114.554 -0.689 0.000 2.747 374 T HA 0.549 4.914 4.350 0.026 0.000 0.236 374 T C 0.603 174.672 174.700 -1.051 0.000 1.046 374 T CA -0.258 61.015 62.100 -1.378 0.000 1.054 374 T CB -0.414 67.971 68.868 -0.805 0.000 2.287 374 T HN 0.576 nan 8.240 nan 0.000 0.523 375 G N 2.983 111.411 108.800 -0.620 0.000 2.474 375 G HA2 0.463 4.439 3.960 0.026 0.000 0.233 375 G HA3 0.463 4.439 3.960 0.026 0.000 0.233 375 G C -2.289 172.602 174.900 -0.015 0.000 1.278 375 G CA -0.694 44.348 45.100 -0.097 0.000 0.861 375 G HN 0.668 nan 8.290 nan 0.000 0.567 376 P HA 0.360 nan 4.420 nan 0.000 0.280 376 P C -0.203 177.171 177.300 0.123 0.000 1.272 376 P CA -0.741 62.439 63.100 0.134 0.000 0.819 376 P CB 1.351 33.187 31.700 0.226 0.000 1.122 377 I N 0.563 121.209 120.570 0.128 0.000 2.396 377 I HA 0.108 4.294 4.170 0.026 0.000 0.289 377 I C 0.292 176.567 176.117 0.264 0.000 1.056 377 I CA -0.389 60.991 61.300 0.134 0.000 1.365 377 I CB 0.675 38.714 38.000 0.066 0.000 1.407 377 I HN -0.031 nan 8.210 nan 0.000 0.509 378 V N 7.469 127.523 119.914 0.232 0.000 2.481 378 V HA 0.488 4.624 4.120 0.026 0.000 0.286 378 V C -0.327 175.951 176.094 0.306 0.000 1.042 378 V CA -0.284 62.168 62.300 0.253 0.000 0.928 378 V CB 1.214 33.131 31.823 0.156 0.000 0.986 378 V HN 0.825 nan 8.190 nan 0.000 0.462 379 W N 2.706 124.003 121.300 -0.006 0.000 2.959 379 W HA 0.840 5.515 4.660 0.024 0.000 0.358 379 W C -0.278 176.210 176.519 -0.051 0.000 1.228 379 W CA -0.675 56.637 57.345 -0.055 0.000 1.183 379 W CB 1.236 30.621 29.460 -0.125 0.000 1.467 379 W HN 1.070 nan 8.180 nan 0.000 0.578 380 G N 0.774 109.561 108.800 -0.021 0.000 2.345 380 G HA2 0.332 4.307 3.960 0.026 0.000 0.310 380 G HA3 0.332 4.307 3.960 0.026 0.000 0.310 380 G C -1.985 173.001 174.900 0.144 0.000 1.476 380 G CA -0.922 44.081 45.100 -0.163 0.000 0.978 380 G HN 0.529 nan 8.290 nan 0.000 0.656 381 E N 0.162 120.536 120.200 0.291 0.000 2.369 381 E HA 0.579 4.944 4.350 0.026 0.000 0.270 381 E C -2.519 174.157 176.600 0.127 0.000 0.909 381 E CA -1.497 55.051 56.400 0.247 0.000 0.775 381 E CB 2.959 32.860 29.700 0.334 0.000 1.270 381 E HN 0.401 nan 8.360 nan 0.000 0.445 382 P HA 0.079 nan 4.420 nan 0.000 0.271 382 P C 0.094 177.239 177.300 -0.259 0.000 1.218 382 P CA -0.145 62.931 63.100 -0.041 0.000 0.780 382 P CB 0.535 32.248 31.700 0.021 0.000 0.901 383 G N 0.971 109.405 108.800 -0.611 0.000 2.467 383 G HA2 0.289 4.265 3.960 0.026 0.000 0.257 383 G HA3 0.289 4.265 3.960 0.026 0.000 0.257 383 G C 1.056 175.534 174.900 -0.704 0.000 1.227 383 G CA -0.306 44.065 45.100 -1.216 0.000 0.835 383 G HN 0.546 nan 8.290 nan 0.000 0.556 384 T N -0.537 113.751 114.554 -0.444 0.000 3.129 384 T HA -0.016 4.350 4.350 0.026 0.000 0.251 384 T C 1.709 176.137 174.700 -0.453 0.000 1.117 384 T CA 0.087 61.900 62.100 -0.478 0.000 1.034 384 T CB -0.066 68.686 68.868 -0.194 0.000 0.968 384 T HN 0.359 nan 8.240 nan 0.000 0.526 385 N N 2.736 121.262 118.700 -0.290 0.000 2.018 385 N HA -0.068 4.688 4.740 0.026 0.000 0.196 385 N C 2.227 177.544 175.510 -0.322 0.000 1.043 385 N CA 1.823 54.763 53.050 -0.182 0.000 0.856 385 N CB -1.182 37.253 38.487 -0.086 0.000 1.042 385 N HN 0.589 nan 8.380 nan 0.000 0.423 386 G N 0.671 109.222 108.800 -0.415 0.000 2.432 386 G HA2 -0.296 3.680 3.960 0.026 0.000 0.219 386 G HA3 -0.296 3.680 3.960 0.026 0.000 0.219 386 G C 1.416 175.542 174.900 -1.290 0.000 1.135 386 G CA 0.676 45.324 45.100 -0.753 0.000 0.767 386 G HN 0.398 nan 8.290 nan 0.000 0.550 387 Q N -0.385 118.579 119.800 -1.392 0.000 2.135 387 Q HA -0.163 4.193 4.340 0.026 0.000 0.204 387 Q C 1.759 177.148 176.000 -1.018 0.000 0.981 387 Q CA 1.145 55.833 55.803 -1.858 0.000 0.856 387 Q CB -0.086 27.840 28.738 -1.353 0.000 0.902 387 Q HN 0.608 nan 8.270 nan 0.000 0.425 388 H N -1.609 117.185 119.070 -0.460 0.000 2.526 388 H HA 0.236 4.808 4.556 0.026 0.000 0.274 388 H C 0.913 176.139 175.328 -0.171 0.000 0.999 388 H CA 0.692 56.598 56.048 -0.237 0.000 1.157 388 H CB 0.531 30.194 29.762 -0.166 0.000 1.407 388 H HN 0.351 nan 8.280 nan 0.000 0.568 389 A N 0.522 123.222 122.820 -0.200 0.000 1.983 389 A HA 0.127 4.463 4.320 0.026 0.000 0.207 389 A C 1.246 178.891 177.584 0.103 0.000 1.412 389 A CA 0.397 52.414 52.037 -0.033 0.000 0.750 389 A CB -0.155 18.868 19.000 0.038 0.000 1.047 389 A HN 0.257 nan 8.150 nan 0.000 0.504 390 F N -4.377 115.721 119.950 0.246 0.000 2.856 390 F HA 0.462 5.006 4.527 0.028 0.000 0.338 390 F C 1.049 177.103 175.800 0.424 0.000 1.100 390 F CA -0.908 57.278 58.000 0.309 0.000 1.150 390 F CB -0.155 39.052 39.000 0.345 0.000 1.101 390 F HN 0.048 nan 8.300 nan 0.000 0.548 391 Y N 1.810 122.173 120.300 0.105 0.000 2.403 391 Y HA -0.142 4.424 4.550 0.026 0.000 0.291 391 Y C 2.677 178.796 175.900 0.364 0.000 1.143 391 Y CA 1.267 59.528 58.100 0.268 0.000 1.257 391 Y CB -0.934 37.658 38.460 0.219 0.000 0.984 391 Y HN 0.331 nan 8.280 nan 0.000 0.550 392 Q N 0.725 120.775 119.800 0.417 0.000 2.096 392 Q HA -0.236 4.120 4.340 0.026 0.000 0.208 392 Q C 2.193 178.353 176.000 0.267 0.000 0.993 392 Q CA 2.090 58.074 55.803 0.301 0.000 0.862 392 Q CB -0.833 28.025 28.738 0.199 0.000 0.915 392 Q HN 0.610 nan 8.270 nan 0.000 0.416 393 L N -0.680 120.704 121.223 0.269 0.000 2.093 393 L HA -0.047 4.309 4.340 0.026 0.000 0.208 393 L C 2.162 179.139 176.870 0.178 0.000 1.085 393 L CA 1.036 55.994 54.840 0.196 0.000 0.755 393 L CB -0.153 42.015 42.059 0.182 0.000 0.904 393 L HN 0.362 nan 8.230 nan 0.000 0.435 394 I N -1.114 119.585 120.570 0.216 0.000 2.226 394 I HA -0.298 3.888 4.170 0.026 0.000 0.245 394 I C 2.359 178.474 176.117 -0.004 0.000 1.100 394 I CA 1.052 62.395 61.300 0.072 0.000 1.374 394 I CB -0.721 37.250 38.000 -0.049 0.000 1.057 394 I HN 0.368 nan 8.210 nan 0.000 0.413 395 H N 0.497 119.659 119.070 0.153 0.000 2.403 395 H HA 0.028 4.600 4.556 0.027 0.000 0.298 395 H C 1.193 176.558 175.328 0.062 0.000 1.059 395 H CA 1.116 57.269 56.048 0.175 0.000 1.363 395 H CB 0.325 30.290 29.762 0.338 0.000 1.410 395 H HN 0.474 nan 8.280 nan 0.000 0.528 396 Q N -0.148 119.728 119.800 0.127 0.000 2.057 396 Q HA 0.207 4.563 4.340 0.026 0.000 0.216 396 Q C 0.692 176.698 176.000 0.011 0.000 0.788 396 Q CA -0.280 55.518 55.803 -0.009 0.000 1.053 396 Q CB 1.950 30.610 28.738 -0.129 0.000 1.210 396 Q HN 0.222 nan 8.270 nan 0.000 0.455 397 G N 0.423 109.250 108.800 0.045 0.000 2.531 397 G HA2 0.190 4.165 3.960 0.026 0.000 0.253 397 G HA3 0.190 4.165 3.960 0.026 0.000 0.253 397 G C 0.617 175.529 174.900 0.021 0.000 1.439 397 G CA 0.241 45.361 45.100 0.034 0.000 1.056 397 G HN 0.164 nan 8.290 nan 0.000 0.555 398 T N -2.623 111.941 114.554 0.017 0.000 3.228 398 T HA 0.438 4.804 4.350 0.026 0.000 0.278 398 T C 0.117 174.828 174.700 0.018 0.000 1.014 398 T CA -0.312 61.796 62.100 0.014 0.000 0.904 398 T CB 0.176 69.049 68.868 0.008 0.000 1.110 398 T HN 0.177 nan 8.240 nan 0.000 0.541 399 K N 1.561 121.973 120.400 0.020 0.000 2.270 399 K HA 0.578 4.914 4.320 0.026 0.000 0.255 399 K C -0.689 175.922 176.600 0.018 0.000 0.936 399 K CA -0.620 55.680 56.287 0.021 0.000 0.809 399 K CB 2.076 34.585 32.500 0.016 0.000 1.131 399 K HN 0.262 nan 8.250 nan 0.000 0.427 400 M N 4.686 124.293 119.600 0.013 0.000 2.146 400 M HA 0.388 4.884 4.480 0.026 0.000 0.357 400 M C -1.186 175.093 176.300 -0.035 0.000 1.261 400 M CA -0.061 55.219 55.300 -0.034 0.000 1.106 400 M CB 0.279 32.848 32.600 -0.053 0.000 1.612 400 M HN 0.579 nan 8.290 nan 0.000 0.470 401 I N 7.733 128.261 120.570 -0.069 0.000 2.542 401 I HA 0.346 4.532 4.170 0.026 0.000 0.278 401 I C -2.311 173.721 176.117 -0.142 0.000 1.069 401 I CA -1.902 59.384 61.300 -0.025 0.000 1.100 401 I CB 1.543 39.595 38.000 0.086 0.000 1.204 401 I HN 0.492 nan 8.210 nan 0.000 0.470 402 P HA 0.116 nan 4.420 nan 0.000 0.267 402 P C -0.888 176.238 177.300 -0.291 0.000 1.205 402 P CA -0.103 62.834 63.100 -0.271 0.000 0.765 402 P CB 0.469 32.073 31.700 -0.161 0.000 0.828 403 C N 2.872 122.053 119.300 -0.199 0.000 2.455 403 C HA 0.408 4.884 4.460 0.026 0.000 0.320 403 C C -0.388 174.594 174.990 -0.013 0.000 1.226 403 C CA -0.441 58.444 59.018 -0.220 0.000 1.569 403 C CB 1.436 29.142 27.740 -0.057 0.000 2.200 403 C HN 0.500 nan 8.230 nan 0.000 0.491 404 D N 1.728 122.095 120.400 -0.056 0.000 2.280 404 D HA 0.458 5.113 4.640 0.026 0.000 0.236 404 D C -0.748 175.667 176.300 0.192 0.000 1.082 404 D CA 0.012 54.144 54.000 0.221 0.000 0.834 404 D CB 0.756 41.784 40.800 0.379 0.000 1.100 404 D HN 0.265 nan 8.370 nan 0.000 0.486 405 F N 2.000 122.034 119.950 0.141 0.000 2.410 405 F HA 0.414 4.957 4.527 0.028 0.000 0.349 405 F C -0.006 176.091 175.800 0.494 0.000 1.117 405 F CA -0.659 57.465 58.000 0.208 0.000 1.104 405 F CB 0.839 39.697 39.000 -0.236 0.000 1.122 405 F HN 0.046 nan 8.300 nan 0.000 0.483 406 L N 5.237 126.875 121.223 0.692 0.000 2.381 406 L HA 0.698 5.054 4.340 0.026 0.000 0.268 406 L C -0.861 176.171 176.870 0.269 0.000 0.997 406 L CA -0.441 54.730 54.840 0.550 0.000 0.818 406 L CB 2.333 44.659 42.059 0.446 0.000 1.310 406 L HN 0.555 nan 8.230 nan 0.000 0.416 407 I N 3.060 123.441 120.570 -0.314 0.000 2.743 407 I HA 0.468 4.654 4.170 0.026 0.000 0.292 407 I C -2.701 172.676 176.117 -1.234 0.000 1.343 407 I CA -1.694 59.209 61.300 -0.662 0.000 1.038 407 I CB 3.435 40.804 38.000 -1.051 0.000 1.311 407 I HN 0.400 nan 8.210 nan 0.000 0.426 408 P HA 0.129 nan 4.420 nan 0.000 0.279 408 P C 0.537 177.706 177.300 -0.218 0.000 1.239 408 P CA -0.145 62.611 63.100 -0.572 0.000 0.789 408 P CB 1.883 33.567 31.700 -0.026 0.000 0.933 409 V N 2.679 122.486 119.914 -0.179 0.000 2.307 409 V HA -0.182 3.953 4.120 0.026 0.000 0.245 409 V C 1.322 177.485 176.094 0.115 0.000 1.045 409 V CA 1.813 64.090 62.300 -0.038 0.000 1.024 409 V CB -0.894 30.896 31.823 -0.055 0.000 0.651 409 V HN 0.590 nan 8.190 nan 0.000 0.449 410 Q N -0.006 119.808 119.800 0.023 0.000 2.278 410 Q HA 0.364 4.720 4.340 0.026 0.000 0.257 410 Q C -0.081 175.805 176.000 -0.190 0.000 0.928 410 Q CA -0.109 55.664 55.803 -0.050 0.000 0.932 410 Q CB 1.750 30.477 28.738 -0.018 0.000 1.221 410 Q HN 0.347 nan 8.270 nan 0.000 0.434 411 T N 1.066 115.349 114.554 -0.451 0.000 2.913 411 T HA 0.042 4.407 4.350 0.026 0.000 0.287 411 T C 1.052 175.620 174.700 -0.220 0.000 1.008 411 T CA -0.388 61.424 62.100 -0.480 0.000 1.067 411 T CB 0.834 69.233 68.868 -0.783 0.000 0.996 411 T HN 0.509 nan 8.240 nan 0.000 0.513 412 Q N 1.501 121.208 119.800 -0.155 0.000 2.436 412 Q HA -0.004 4.352 4.340 0.026 0.000 0.209 412 Q C -0.039 175.640 176.000 -0.536 0.000 0.965 412 Q CA 1.086 56.717 55.803 -0.285 0.000 0.910 412 Q CB 0.082 28.694 28.738 -0.210 0.000 0.980 412 Q HN 0.636 nan 8.270 nan 0.000 0.491 413 H N 0.339 119.363 119.070 -0.077 0.000 2.607 413 H HA 0.199 4.770 4.556 0.026 0.000 0.248 413 H C -2.126 173.141 175.328 -0.102 0.000 1.355 413 H CA -1.727 54.269 56.048 -0.085 0.000 1.524 413 H CB 1.155 30.859 29.762 -0.096 0.000 1.563 413 H HN 0.013 nan 8.280 nan 0.000 0.509 414 P HA 0.069 nan 4.420 nan 0.000 0.225 414 P C 0.770 178.081 177.300 0.017 0.000 1.768 414 P CA -0.187 62.908 63.100 -0.008 0.000 0.943 414 P CB -0.826 30.860 31.700 -0.024 0.000 1.936 415 I N -3.181 117.395 120.570 0.010 0.000 2.938 415 I HA 0.238 4.424 4.170 0.026 0.000 0.285 415 I C 0.731 176.884 176.117 0.059 0.000 1.182 415 I CA -0.661 60.637 61.300 -0.003 0.000 1.388 415 I CB 0.088 38.028 38.000 -0.100 0.000 1.390 415 I HN -0.070 nan 8.210 nan 0.000 0.600 416 R N 2.111 122.648 120.500 0.062 0.000 3.416 416 R HA -0.216 4.139 4.340 0.026 0.000 0.263 416 R C 0.114 176.458 176.300 0.074 0.000 1.053 416 R CA 1.020 57.174 56.100 0.090 0.000 0.705 416 R CB -2.106 28.299 30.300 0.175 0.000 1.124 416 R HN 0.926 nan 8.270 nan 0.000 0.444 417 K N -1.425 119.005 120.400 0.049 0.000 3.016 417 K HA -0.287 4.048 4.320 0.026 0.000 0.262 417 K C 0.869 177.500 176.600 0.051 0.000 1.043 417 K CA 1.177 57.488 56.287 0.039 0.000 0.761 417 K CB -1.556 30.961 32.500 0.028 0.000 1.230 417 K HN 0.900 nan 8.250 nan 0.000 0.485 418 G N -0.602 108.242 108.800 0.073 0.000 2.157 418 G HA2 -0.333 3.643 3.960 0.026 0.000 0.239 418 G HA3 -0.333 3.643 3.960 0.026 0.000 0.239 418 G C 0.601 175.575 174.900 0.123 0.000 0.982 418 G CA 0.258 45.416 45.100 0.097 0.000 0.650 418 G HN 0.251 nan 8.290 nan 0.000 0.527 419 L N 0.612 121.907 121.223 0.120 0.000 2.017 419 L HA 0.052 4.407 4.340 0.026 0.000 0.208 419 L C 2.484 179.400 176.870 0.078 0.000 1.073 419 L CA 2.973 57.858 54.840 0.077 0.000 0.745 419 L CB -0.692 41.393 42.059 0.044 0.000 0.894 419 L HN 0.480 nan 8.230 nan 0.000 0.432 420 H N -1.969 117.132 119.070 0.051 0.000 2.353 420 H HA -0.195 4.377 4.556 0.026 0.000 0.300 420 H C 2.136 177.525 175.328 0.103 0.000 1.090 420 H CA 1.896 57.981 56.048 0.061 0.000 1.327 420 H CB -0.057 29.736 29.762 0.052 0.000 1.383 420 H HN 0.503 nan 8.280 nan 0.000 0.508 421 H N 1.124 120.276 119.070 0.136 0.000 2.389 421 H HA -0.047 4.525 4.556 0.026 0.000 0.299 421 H C 2.397 177.748 175.328 0.038 0.000 1.081 421 H CA 1.443 57.533 56.048 0.070 0.000 1.345 421 H CB 0.131 29.917 29.762 0.040 0.000 1.393 421 H HN 0.185 nan 8.280 nan 0.000 0.520 422 K N 0.232 120.662 120.400 0.049 0.000 2.032 422 K HA -0.129 4.207 4.320 0.026 0.000 0.209 422 K C 2.032 178.606 176.600 -0.045 0.000 1.048 422 K CA 1.883 58.155 56.287 -0.025 0.000 0.927 422 K CB -0.189 32.313 32.500 0.004 0.000 0.712 422 K HN 0.309 nan 8.250 nan 0.000 0.441 423 I N 0.995 121.554 120.570 -0.018 0.000 2.179 423 I HA -0.280 3.906 4.170 0.026 0.000 0.242 423 I C 2.420 178.545 176.117 0.013 0.000 1.088 423 I CA 0.615 61.907 61.300 -0.013 0.000 1.357 423 I CB -0.305 37.678 38.000 -0.030 0.000 1.051 423 I HN 0.212 nan 8.210 nan 0.000 0.409 424 L N 0.862 122.098 121.223 0.022 0.000 1.990 424 L HA -0.229 4.127 4.340 0.026 0.000 0.213 424 L C 2.381 179.265 176.870 0.024 0.000 1.072 424 L CA 1.914 56.797 54.840 0.072 0.000 0.755 424 L CB -0.509 41.593 42.059 0.071 0.000 0.889 424 L HN 0.122 nan 8.230 nan 0.000 0.432 425 L N -0.899 120.217 121.223 -0.178 0.000 2.042 425 L HA -0.234 4.122 4.340 0.026 0.000 0.210 425 L C 2.661 179.516 176.870 -0.025 0.000 1.076 425 L CA 1.365 56.099 54.840 -0.178 0.000 0.749 425 L CB -0.890 41.006 42.059 -0.272 0.000 0.893 425 L HN 0.397 nan 8.230 nan 0.000 0.432 426 A N -0.083 122.718 122.820 -0.031 0.000 1.908 426 A HA -0.230 4.106 4.320 0.026 0.000 0.218 426 A C 2.113 179.696 177.584 -0.001 0.000 1.181 426 A CA 1.980 54.005 52.037 -0.020 0.000 0.627 426 A CB -0.638 18.346 19.000 -0.025 0.000 0.818 426 A HN 0.489 nan 8.150 nan 0.000 0.445 427 N N -1.228 117.502 118.700 0.050 0.000 2.142 427 N HA -0.143 4.612 4.740 0.026 0.000 0.186 427 N C 1.633 177.151 175.510 0.013 0.000 1.023 427 N CA 1.606 54.713 53.050 0.095 0.000 0.852 427 N CB -0.421 38.198 38.487 0.220 0.000 0.998 427 N HN 0.573 nan 8.380 nan 0.000 0.424 428 F N 2.242 122.006 119.950 -0.309 0.000 2.091 428 F HA -0.166 4.377 4.527 0.026 0.000 0.299 428 F C 2.140 177.698 175.800 -0.404 0.000 1.103 428 F CA 1.301 58.896 58.000 -0.675 0.000 1.228 428 F CB -0.344 38.309 39.000 -0.579 0.000 0.984 428 F HN -0.082 nan 8.300 nan 0.000 0.477 429 L N -0.023 121.132 121.223 -0.114 0.000 2.027 429 L HA -0.125 4.231 4.340 0.026 0.000 0.206 429 L C 2.842 179.545 176.870 -0.279 0.000 1.074 429 L CA 1.140 55.854 54.840 -0.210 0.000 0.745 429 L CB -1.190 40.833 42.059 -0.060 0.000 0.898 429 L HN 0.249 nan 8.230 nan 0.000 0.433 430 A N -0.899 121.811 122.820 -0.183 0.000 1.930 430 A HA -0.182 4.154 4.320 0.026 0.000 0.217 430 A C 2.274 179.758 177.584 -0.166 0.000 1.175 430 A CA 1.124 53.068 52.037 -0.154 0.000 0.627 430 A CB -0.310 18.636 19.000 -0.089 0.000 0.815 430 A HN 0.381 nan 8.150 nan 0.000 0.443 431 Q N -0.282 119.416 119.800 -0.170 0.000 2.079 431 Q HA -0.139 4.217 4.340 0.026 0.000 0.200 431 Q C 2.410 178.215 176.000 -0.326 0.000 0.974 431 Q CA 2.193 57.950 55.803 -0.077 0.000 0.840 431 Q CB -0.879 27.980 28.738 0.202 0.000 0.898 431 Q HN 0.883 nan 8.270 nan 0.000 0.430 432 T N -1.659 112.484 114.554 -0.685 0.000 2.857 432 T HA -0.117 4.249 4.350 0.026 0.000 0.266 432 T C 1.734 176.206 174.700 -0.380 0.000 1.048 432 T CA 1.236 62.924 62.100 -0.687 0.000 1.139 432 T CB -0.103 68.259 68.868 -0.843 0.000 0.874 432 T HN 0.311 nan 8.240 nan 0.000 0.455 433 E N 1.571 121.572 120.200 -0.332 0.000 2.058 433 E HA -0.143 4.223 4.350 0.026 0.000 0.194 433 E C 2.492 178.985 176.600 -0.179 0.000 0.997 433 E CA 1.188 57.433 56.400 -0.258 0.000 0.801 433 E CB -0.479 29.079 29.700 -0.236 0.000 0.746 433 E HN 0.635 nan 8.360 nan 0.000 0.450 434 A N 1.004 123.746 122.820 -0.131 0.000 1.877 434 A HA -0.171 4.165 4.320 0.026 0.000 0.216 434 A C 2.233 179.846 177.584 0.047 0.000 1.186 434 A CA 1.300 53.305 52.037 -0.054 0.000 0.620 434 A CB -0.735 18.254 19.000 -0.018 0.000 0.822 434 A HN 0.317 nan 8.150 nan 0.000 0.443 435 L N -1.162 120.074 121.223 0.022 0.000 2.083 435 L HA -0.198 4.158 4.340 0.026 0.000 0.209 435 L C 2.858 179.710 176.870 -0.029 0.000 1.083 435 L CA 1.451 56.267 54.840 -0.039 0.000 0.752 435 L CB -0.417 41.524 42.059 -0.197 0.000 0.899 435 L HN 0.488 nan 8.230 nan 0.000 0.433 436 M N 0.187 119.745 119.600 -0.070 0.000 2.077 436 M HA -0.215 4.281 4.480 0.026 0.000 0.261 436 M C 2.279 178.576 176.300 -0.005 0.000 1.070 436 M CA 1.922 57.199 55.300 -0.038 0.000 1.125 436 M CB -0.364 32.171 32.600 -0.108 0.000 1.339 436 M HN 0.134 nan 8.290 nan 0.000 0.409 437 K N -0.711 119.666 120.400 -0.038 0.000 2.044 437 K HA 0.088 4.424 4.320 0.026 0.000 0.204 437 K C 1.007 177.617 176.600 0.018 0.000 1.049 437 K CA 1.086 57.357 56.287 -0.027 0.000 0.945 437 K CB -0.171 32.281 32.500 -0.080 0.000 0.724 437 K HN 0.555 nan 8.250 nan 0.000 0.440 438 G N 1.120 109.942 108.800 0.037 0.000 2.645 438 G HA2 -0.322 3.653 3.960 0.026 0.000 0.246 438 G HA3 -0.322 3.653 3.960 0.026 0.000 0.246 438 G C -0.868 174.061 174.900 0.050 0.000 1.322 438 G CA 0.207 45.376 45.100 0.114 0.000 0.898 438 G HN 0.366 nan 8.290 nan 0.000 0.573 439 K N -0.426 120.062 120.400 0.146 0.000 2.652 439 K HA 0.514 4.850 4.320 0.026 0.000 0.249 439 K C 0.095 176.773 176.600 0.129 0.000 0.986 439 K CA -0.805 55.542 56.287 0.101 0.000 0.867 439 K CB 0.713 33.270 32.500 0.095 0.000 1.201 439 K HN 0.572 nan 8.250 nan 0.000 0.450 440 L N 5.389 126.658 121.223 0.077 0.000 2.467 440 L HA 0.149 4.504 4.340 0.026 0.000 0.270 440 L C -1.461 175.446 176.870 0.061 0.000 1.205 440 L CA -1.589 53.290 54.840 0.065 0.000 0.828 440 L CB 0.388 42.474 42.059 0.044 0.000 1.101 440 L HN 0.548 nan 8.230 nan 0.000 0.479 441 P HA -0.254 nan 4.420 nan 0.000 0.216 441 P C 1.263 178.585 177.300 0.036 0.000 1.157 441 P CA 1.460 64.584 63.100 0.040 0.000 0.880 441 P CB 0.146 31.862 31.700 0.027 0.000 0.791 442 E N 0.192 120.410 120.200 0.030 0.000 2.150 442 E HA -0.206 4.160 4.350 0.026 0.000 0.193 442 E C 1.700 178.315 176.600 0.024 0.000 0.985 442 E CA 1.165 57.579 56.400 0.024 0.000 0.814 442 E CB -0.585 29.127 29.700 0.020 0.000 0.752 442 E HN 0.272 nan 8.360 nan 0.000 0.466 443 E N 0.668 120.885 120.200 0.027 0.000 2.072 443 E HA -0.137 4.229 4.350 0.026 0.000 0.191 443 E C 2.155 178.773 176.600 0.030 0.000 0.985 443 E CA 1.031 57.444 56.400 0.023 0.000 0.801 443 E CB -0.162 29.549 29.700 0.019 0.000 0.750 443 E HN 0.453 nan 8.360 nan 0.000 0.452 444 A N 1.571 124.420 122.820 0.048 0.000 1.969 444 A HA -0.176 4.160 4.320 0.026 0.000 0.218 444 A C 2.098 179.709 177.584 0.045 0.000 1.169 444 A CA 1.292 53.365 52.037 0.059 0.000 0.635 444 A CB -0.409 18.645 19.000 0.090 0.000 0.810 444 A HN 0.073 nan 8.150 nan 0.000 0.445 445 R N -0.008 120.514 120.500 0.037 0.000 2.080 445 R HA -0.150 4.206 4.340 0.026 0.000 0.236 445 R C 1.945 178.258 176.300 0.022 0.000 1.137 445 R CA 1.755 57.872 56.100 0.029 0.000 0.943 445 R CB -0.211 30.103 30.300 0.024 0.000 0.846 445 R HN 0.355 nan 8.270 nan 0.000 0.431 446 K N 0.488 120.899 120.400 0.019 0.000 2.097 446 K HA -0.165 4.171 4.320 0.026 0.000 0.206 446 K C 1.975 178.582 176.600 0.012 0.000 1.049 446 K CA 1.539 57.833 56.287 0.013 0.000 0.933 446 K CB -0.081 32.425 32.500 0.009 0.000 0.717 446 K HN 0.444 nan 8.250 nan 0.000 0.442 447 E N 0.766 120.975 120.200 0.015 0.000 2.072 447 E HA -0.110 4.256 4.350 0.026 0.000 0.191 447 E C 2.161 178.771 176.600 0.016 0.000 0.985 447 E CA 0.699 57.107 56.400 0.013 0.000 0.801 447 E CB -0.057 29.653 29.700 0.017 0.000 0.750 447 E HN 0.191 nan 8.360 nan 0.000 0.452 448 L N 0.742 121.979 121.223 0.022 0.000 2.056 448 L HA -0.213 4.142 4.340 0.026 0.000 0.207 448 L C 2.553 179.432 176.870 0.016 0.000 1.078 448 L CA 1.142 55.996 54.840 0.022 0.000 0.749 448 L CB -0.289 41.788 42.059 0.029 0.000 0.901 448 L HN 0.129 nan 8.230 nan 0.000 0.433 449 Q N -0.221 119.588 119.800 0.014 0.000 2.030 449 Q HA -0.231 4.125 4.340 0.026 0.000 0.204 449 Q C 2.418 178.422 176.000 0.007 0.000 0.986 449 Q CA 1.884 57.693 55.803 0.010 0.000 0.843 449 Q CB -0.343 28.401 28.738 0.010 0.000 0.904 449 Q HN 0.565 nan 8.270 nan 0.000 0.420 450 A N 0.721 123.544 122.820 0.006 0.000 2.019 450 A HA -0.078 4.258 4.320 0.026 0.000 0.219 450 A C 2.115 179.701 177.584 0.003 0.000 1.164 450 A CA 1.441 53.480 52.037 0.003 0.000 0.644 450 A CB -0.574 18.427 19.000 0.001 0.000 0.805 450 A HN 0.400 nan 8.150 nan 0.000 0.449 451 A N -1.671 121.152 122.820 0.005 0.000 2.235 451 A HA 0.388 4.724 4.320 0.026 0.000 0.208 451 A C 1.807 179.394 177.584 0.004 0.000 1.172 451 A CA 1.215 53.254 52.037 0.005 0.000 0.786 451 A CB -0.984 18.020 19.000 0.008 0.000 0.804 451 A HN 1.880 nan 8.150 nan 0.000 0.479 452 G N -0.961 107.842 108.800 0.004 0.000 2.143 452 G HA2 -0.256 3.720 3.960 0.026 0.000 0.248 452 G HA3 -0.256 3.720 3.960 0.026 0.000 0.248 452 G C 0.162 175.065 174.900 0.005 0.000 0.991 452 G CA 0.502 45.604 45.100 0.004 0.000 0.689 452 G HN 0.507 nan 8.290 nan 0.000 0.522 453 K N 1.436 121.840 120.400 0.007 0.000 2.326 453 K HA 0.512 4.848 4.320 0.026 0.000 0.275 453 K C 1.172 177.778 176.600 0.009 0.000 1.018 453 K CA 0.558 56.850 56.287 0.009 0.000 0.962 453 K CB 0.779 33.287 32.500 0.013 0.000 0.953 453 K HN 0.544 nan 8.250 nan 0.000 0.475 454 S N 3.851 119.556 115.700 0.008 0.000 2.576 454 S HA 0.192 4.678 4.470 0.026 0.000 0.276 454 S C -1.470 173.136 174.600 0.010 0.000 1.339 454 S CA -0.995 57.209 58.200 0.008 0.000 1.039 454 S CB 0.819 64.023 63.200 0.006 0.000 0.902 454 S HN 0.485 nan 8.310 nan 0.000 0.516 455 P HA -0.201 nan 4.420 nan 0.000 0.217 455 P C 1.241 178.549 177.300 0.013 0.000 1.148 455 P CA 1.680 64.787 63.100 0.011 0.000 0.834 455 P CB 0.084 31.790 31.700 0.009 0.000 0.783 456 E N 0.615 120.822 120.200 0.011 0.000 2.028 456 E HA -0.178 4.188 4.350 0.026 0.000 0.191 456 E C 1.652 178.261 176.600 0.015 0.000 0.988 456 E CA 1.681 58.089 56.400 0.012 0.000 0.799 456 E CB -0.876 28.829 29.700 0.009 0.000 0.755 456 E HN 0.029 nan 8.360 nan 0.000 0.447 457 D N 0.210 120.618 120.400 0.013 0.000 2.117 457 D HA -0.136 4.519 4.640 0.026 0.000 0.197 457 D C 2.037 178.350 176.300 0.022 0.000 0.987 457 D CA 0.982 54.990 54.000 0.014 0.000 0.829 457 D CB -0.363 40.442 40.800 0.009 0.000 0.961 457 D HN 0.240 nan 8.370 nan 0.000 0.460 458 L N 0.852 122.088 121.223 0.022 0.000 1.989 458 L HA -0.201 4.155 4.340 0.026 0.000 0.211 458 L C 2.046 178.938 176.870 0.035 0.000 1.071 458 L CA 1.591 56.447 54.840 0.028 0.000 0.749 458 L CB -0.053 42.020 42.059 0.022 0.000 0.890 458 L HN -0.057 nan 8.230 nan 0.000 0.431 459 E N 0.189 120.408 120.200 0.031 0.000 2.150 459 E HA -0.247 4.119 4.350 0.026 0.000 0.193 459 E C 2.042 178.670 176.600 0.047 0.000 0.985 459 E CA 1.494 57.913 56.400 0.033 0.000 0.814 459 E CB -0.040 29.674 29.700 0.024 0.000 0.752 459 E HN 0.602 nan 8.360 nan 0.000 0.466 460 K N 1.032 121.463 120.400 0.052 0.000 2.103 460 K HA -0.037 4.299 4.320 0.026 0.000 0.204 460 K C 2.051 178.734 176.600 0.138 0.000 1.052 460 K CA 0.877 57.209 56.287 0.076 0.000 0.945 460 K CB -0.433 32.097 32.500 0.049 0.000 0.722 460 K HN 0.056 nan 8.250 nan 0.000 0.443 461 L N 0.458 121.744 121.223 0.105 0.000 2.240 461 L HA -0.003 4.353 4.340 0.026 0.000 0.211 461 L C 2.143 179.113 176.870 0.167 0.000 1.106 461 L CA 0.392 55.311 54.840 0.132 0.000 0.793 461 L CB -0.270 41.825 42.059 0.060 0.000 0.927 461 L HN 0.313 nan 8.230 nan 0.000 0.446 462 L N 1.467 122.752 121.223 0.103 0.000 1.978 462 L HA -0.171 4.185 4.340 0.026 0.000 0.218 462 L C -0.508 176.390 176.870 0.047 0.000 1.075 462 L CA 2.395 57.276 54.840 0.069 0.000 0.767 462 L CB -1.760 40.325 42.059 0.043 0.000 0.890 462 L HN 0.117 nan 8.230 nan 0.000 0.434 463 P HA -0.199 nan 4.420 nan 0.000 0.218 463 P C 1.255 178.458 177.300 -0.162 0.000 1.149 463 P CA 1.762 64.796 63.100 -0.111 0.000 0.817 463 P CB -0.525 31.054 31.700 -0.202 0.000 0.785 464 H N 0.169 119.224 119.070 -0.024 0.000 2.489 464 H HA 0.020 4.591 4.556 0.026 0.000 0.293 464 H C 1.589 176.878 175.328 -0.065 0.000 1.066 464 H CA 0.963 56.983 56.048 -0.048 0.000 1.305 464 H CB 0.007 29.753 29.762 -0.027 0.000 1.386 464 H HN 0.205 nan 8.280 nan 0.000 0.551 465 K N 1.014 121.472 120.400 0.097 0.000 2.426 465 K HA 0.121 4.457 4.320 0.026 0.000 0.193 465 K C 0.472 177.168 176.600 0.161 0.000 1.028 465 K CA 0.023 56.387 56.287 0.127 0.000 1.047 465 K CB 0.593 33.178 32.500 0.141 0.000 0.821 465 K HN -0.007 nan 8.250 nan 0.000 0.513 466 V N 2.505 122.449 119.914 0.049 0.000 2.530 466 V HA 0.125 4.261 4.120 0.026 0.000 0.282 466 V C -0.177 175.920 176.094 0.005 0.000 1.048 466 V CA -0.225 62.129 62.300 0.091 0.000 0.997 466 V CB 0.119 31.961 31.823 0.031 0.000 0.987 466 V HN -0.039 nan 8.190 nan 0.000 0.477 467 F N 3.017 122.987 119.950 0.033 0.000 2.375 467 F HA 0.411 4.954 4.527 0.026 0.000 0.361 467 F C 1.315 177.143 175.800 0.047 0.000 1.117 467 F CA -0.726 57.306 58.000 0.053 0.000 1.037 467 F CB 1.326 40.364 39.000 0.062 0.000 1.192 467 F HN 0.569 nan 8.300 nan 0.000 0.452 468 E N 2.249 122.542 120.200 0.155 0.000 2.268 468 E HA 0.071 4.437 4.350 0.026 0.000 0.195 468 E C 1.624 178.298 176.600 0.123 0.000 0.995 468 E CA 0.590 57.056 56.400 0.110 0.000 0.836 468 E CB -0.003 29.734 29.700 0.062 0.000 0.763 468 E HN 0.942 nan 8.360 nan 0.000 0.491 469 G N 1.803 110.700 108.800 0.162 0.000 2.575 469 G HA2 -0.427 3.548 3.960 0.026 0.000 0.267 469 G HA3 -0.427 3.548 3.960 0.026 0.000 0.267 469 G C 0.192 175.139 174.900 0.078 0.000 1.264 469 G CA 0.060 45.234 45.100 0.125 0.000 0.935 469 G HN 0.319 nan 8.290 nan 0.000 0.568 470 N N -1.144 117.595 118.700 0.066 0.000 2.725 470 N HA -0.179 4.577 4.740 0.026 0.000 0.249 470 N C 0.174 175.699 175.510 0.026 0.000 1.103 470 N CA 1.866 54.953 53.050 0.063 0.000 0.707 470 N CB -0.637 37.896 38.487 0.076 0.000 1.043 470 N HN 0.849 nan 8.380 nan 0.000 0.553 471 R N 0.572 121.071 120.500 -0.001 0.000 2.246 471 R HA 0.416 4.772 4.340 0.026 0.000 0.332 471 R C -2.255 174.001 176.300 -0.072 0.000 0.974 471 R CA -1.479 54.586 56.100 -0.058 0.000 0.837 471 R CB 1.304 31.559 30.300 -0.076 0.000 1.145 471 R HN 0.133 nan 8.270 nan 0.000 0.467 472 P HA 0.150 nan 4.420 nan 0.000 0.284 472 P C -0.797 176.476 177.300 -0.045 0.000 1.253 472 P CA -0.390 62.689 63.100 -0.034 0.000 0.800 472 P CB 1.715 33.401 31.700 -0.023 0.000 0.961 473 T N -0.629 113.943 114.554 0.031 0.000 2.883 473 T HA 0.496 4.862 4.350 0.026 0.000 0.296 473 T C -0.501 174.294 174.700 0.159 0.000 1.117 473 T CA -0.888 61.250 62.100 0.063 0.000 1.006 473 T CB 1.201 70.027 68.868 -0.070 0.000 1.191 473 T HN 0.184 nan 8.240 nan 0.000 0.508 474 N N 0.666 119.501 118.700 0.225 0.000 2.405 474 N HA 0.605 5.361 4.740 0.026 0.000 0.299 474 N C -1.125 174.538 175.510 0.254 0.000 1.075 474 N CA -0.596 52.618 53.050 0.273 0.000 0.884 474 N CB 2.062 40.748 38.487 0.331 0.000 1.194 474 N HN 0.633 nan 8.380 nan 0.000 0.491 475 S N 1.352 117.198 115.700 0.244 0.000 2.498 475 S HA 0.567 5.053 4.470 0.026 0.000 0.317 475 S C -0.103 174.735 174.600 0.397 0.000 1.090 475 S CA -0.569 57.803 58.200 0.286 0.000 1.089 475 S CB 0.637 63.914 63.200 0.129 0.000 0.997 475 S HN 0.333 nan 8.310 nan 0.000 0.470 476 I N 3.629 124.490 120.570 0.485 0.000 2.382 476 I HA 0.466 4.652 4.170 0.026 0.000 0.285 476 I C -0.913 175.447 176.117 0.404 0.000 1.007 476 I CA -0.689 60.877 61.300 0.443 0.000 1.142 476 I CB 1.542 39.816 38.000 0.457 0.000 1.289 476 I HN 0.243 nan 8.210 nan 0.000 0.453 477 V N 6.916 126.992 119.914 0.271 0.000 2.656 477 V HA 0.594 4.730 4.120 0.026 0.000 0.307 477 V C -0.608 175.517 176.094 0.052 0.000 1.051 477 V CA -0.710 61.535 62.300 -0.092 0.000 0.893 477 V CB 1.727 33.511 31.823 -0.065 0.000 0.999 477 V HN 0.550 nan 8.190 nan 0.000 0.426 478 F N -0.294 119.683 119.950 0.045 0.000 2.613 478 F HA 0.610 5.153 4.527 0.027 0.000 0.314 478 F C 1.183 177.014 175.800 0.051 0.000 1.075 478 F CA -0.865 57.172 58.000 0.062 0.000 0.945 478 F CB 1.116 40.153 39.000 0.061 0.000 1.310 478 F HN 0.303 nan 8.300 nan 0.000 0.467 479 T N -0.575 114.114 114.554 0.226 0.000 2.635 479 T HA -0.156 4.209 4.350 0.026 0.000 0.267 479 T C 0.276 175.050 174.700 0.123 0.000 1.040 479 T CA 1.888 64.065 62.100 0.129 0.000 1.156 479 T CB -0.200 68.750 68.868 0.137 0.000 0.863 479 T HN 0.604 nan 8.240 nan 0.000 0.430 480 K N -0.489 120.051 120.400 0.232 0.000 2.587 480 K HA 0.406 4.742 4.320 0.026 0.000 0.276 480 K C -2.092 174.710 176.600 0.336 0.000 0.956 480 K CA -0.760 55.657 56.287 0.218 0.000 0.857 480 K CB 1.382 33.963 32.500 0.134 0.000 1.431 480 K HN -0.076 nan 8.250 nan 0.000 0.420 481 L N 3.944 125.363 121.223 0.326 0.000 2.399 481 L HA 0.242 4.598 4.340 0.026 0.000 0.257 481 L C -0.307 176.664 176.870 0.168 0.000 1.236 481 L CA 0.303 55.304 54.840 0.267 0.000 1.144 481 L CB -0.236 42.011 42.059 0.312 0.000 1.379 481 L HN 0.688 nan 8.230 nan 0.000 0.414 482 T N 0.618 115.228 114.554 0.092 0.000 2.847 482 T HA 0.436 4.802 4.350 0.026 0.000 0.279 482 T C -1.737 172.853 174.700 -0.183 0.000 0.984 482 T CA -1.694 60.359 62.100 -0.078 0.000 0.988 482 T CB 0.905 69.757 68.868 -0.025 0.000 1.040 482 T HN 0.178 nan 8.240 nan 0.000 0.528 483 P HA -0.053 nan 4.420 nan 0.000 0.215 483 P C 1.270 178.521 177.300 -0.081 0.000 1.157 483 P CA 0.822 63.766 63.100 -0.260 0.000 0.874 483 P CB -0.145 31.357 31.700 -0.331 0.000 0.790 484 F N 0.070 119.918 119.950 -0.170 0.000 2.069 484 F HA -0.214 4.330 4.527 0.028 0.000 0.298 484 F C 2.011 177.763 175.800 -0.080 0.000 1.113 484 F CA 1.503 59.435 58.000 -0.113 0.000 1.214 484 F CB -0.505 38.405 39.000 -0.149 0.000 0.978 484 F HN -0.244 nan 8.300 nan 0.000 0.474 485 I N 0.079 120.758 120.570 0.182 0.000 2.252 485 I HA -0.233 3.953 4.170 0.026 0.000 0.245 485 I C 2.421 178.465 176.117 -0.122 0.000 1.102 485 I CA 1.078 62.403 61.300 0.041 0.000 1.385 485 I CB -1.399 36.641 38.000 0.066 0.000 1.064 485 I HN 0.297 nan 8.210 nan 0.000 0.414 486 L N 1.599 122.763 121.223 -0.099 0.000 2.042 486 L HA -0.097 4.259 4.340 0.026 0.000 0.210 486 L C 2.418 179.301 176.870 0.023 0.000 1.076 486 L CA 2.298 57.095 54.840 -0.072 0.000 0.749 486 L CB -1.248 40.780 42.059 -0.052 0.000 0.893 486 L HN 0.203 nan 8.230 nan 0.000 0.432 487 G N -1.097 107.708 108.800 0.007 0.000 2.440 487 G HA2 -0.281 3.695 3.960 0.026 0.000 0.218 487 G HA3 -0.281 3.695 3.960 0.026 0.000 0.218 487 G C 1.596 176.544 174.900 0.079 0.000 1.154 487 G CA 0.877 46.065 45.100 0.148 0.000 0.767 487 G HN 0.664 nan 8.290 nan 0.000 0.552 488 A N 0.415 123.172 122.820 -0.104 0.000 1.930 488 A HA 0.135 4.471 4.320 0.026 0.000 0.217 488 A C 2.441 180.063 177.584 0.063 0.000 1.175 488 A CA 1.218 53.226 52.037 -0.049 0.000 0.627 488 A CB -0.338 18.584 19.000 -0.129 0.000 0.815 488 A HN 0.362 nan 8.150 nan 0.000 0.443 489 L N -0.628 120.629 121.223 0.057 0.000 2.056 489 L HA -0.154 4.202 4.340 0.026 0.000 0.207 489 L C 2.458 179.585 176.870 0.428 0.000 1.078 489 L CA 1.210 56.146 54.840 0.160 0.000 0.749 489 L CB -0.534 41.538 42.059 0.021 0.000 0.901 489 L HN 0.365 nan 8.230 nan 0.000 0.433 490 I N 0.014 120.875 120.570 0.486 0.000 2.179 490 I HA -0.280 3.906 4.170 0.026 0.000 0.242 490 I C 2.823 179.282 176.117 0.569 0.000 1.088 490 I CA 1.223 62.931 61.300 0.679 0.000 1.357 490 I CB -0.543 37.786 38.000 0.549 0.000 1.051 490 I HN 0.188 nan 8.210 nan 0.000 0.409 491 A N 0.538 123.550 122.820 0.321 0.000 1.933 491 A HA -0.263 4.073 4.320 0.026 0.000 0.218 491 A C 2.421 179.985 177.584 -0.033 0.000 1.175 491 A CA 1.873 53.923 52.037 0.022 0.000 0.628 491 A CB -0.670 18.272 19.000 -0.097 0.000 0.814 491 A HN 0.478 nan 8.150 nan 0.000 0.444 492 M N -1.831 117.818 119.600 0.082 0.000 2.080 492 M HA -0.199 4.296 4.480 0.026 0.000 0.260 492 M C 2.001 178.234 176.300 -0.113 0.000 1.068 492 M CA 1.951 57.248 55.300 -0.005 0.000 1.109 492 M CB -0.279 32.288 32.600 -0.055 0.000 1.342 492 M HN 0.506 nan 8.290 nan 0.000 0.405 493 Y N 0.622 120.914 120.300 -0.013 0.000 2.242 493 Y HA -0.186 4.380 4.550 0.026 0.000 0.291 493 Y C 2.284 178.181 175.900 -0.005 0.000 1.137 493 Y CA 1.732 59.720 58.100 -0.185 0.000 1.181 493 Y CB -0.266 37.674 38.460 -0.866 0.000 0.989 493 Y HN 0.351 nan 8.280 nan 0.000 0.527 494 E N -0.734 119.646 120.200 0.300 0.000 2.097 494 E HA -0.249 4.117 4.350 0.026 0.000 0.196 494 E C 1.820 178.527 176.600 0.179 0.000 1.000 494 E CA 1.509 58.099 56.400 0.318 0.000 0.804 494 E CB -0.178 29.655 29.700 0.222 0.000 0.740 494 E HN 0.583 nan 8.360 nan 0.000 0.454 495 H N 0.294 119.396 119.070 0.054 0.000 2.436 495 H HA -0.007 4.565 4.556 0.026 0.000 0.294 495 H C 1.991 177.206 175.328 -0.188 0.000 1.048 495 H CA 0.928 56.821 56.048 -0.258 0.000 1.353 495 H CB -0.088 29.136 29.762 -0.896 0.000 1.414 495 H HN 0.105 nan 8.280 nan 0.000 0.536 496 K N 1.212 121.599 120.400 -0.022 0.000 2.009 496 K HA -0.131 4.205 4.320 0.026 0.000 0.210 496 K C 2.121 178.744 176.600 0.039 0.000 1.049 496 K CA 1.363 57.634 56.287 -0.027 0.000 0.929 496 K CB -0.217 32.238 32.500 -0.075 0.000 0.714 496 K HN 0.128 nan 8.250 nan 0.000 0.440 497 I N 0.724 121.366 120.570 0.121 0.000 2.163 497 I HA -0.293 3.893 4.170 0.026 0.000 0.243 497 I C 2.358 178.573 176.117 0.163 0.000 1.085 497 I CA 1.404 62.796 61.300 0.153 0.000 1.347 497 I CB -0.356 37.785 38.000 0.235 0.000 1.044 497 I HN 0.205 nan 8.210 nan 0.000 0.408 498 F N 1.184 121.219 119.950 0.141 0.000 2.069 498 F HA -0.251 4.290 4.527 0.023 0.000 0.298 498 F C 2.390 178.270 175.800 0.132 0.000 1.113 498 F CA 1.865 59.992 58.000 0.211 0.000 1.214 498 F CB -0.564 38.670 39.000 0.390 0.000 0.978 498 F HN -0.218 nan 8.300 nan 0.000 0.474 499 V N 0.760 120.734 119.914 0.100 0.000 2.332 499 V HA -0.355 3.781 4.120 0.026 0.000 0.248 499 V C 2.359 178.295 176.094 -0.263 0.000 1.055 499 V CA 2.385 64.652 62.300 -0.056 0.000 1.038 499 V CB -0.914 30.952 31.823 0.071 0.000 0.651 499 V HN 0.458 nan 8.190 nan 0.000 0.450 500 Q N -0.028 119.590 119.800 -0.304 0.000 2.084 500 Q HA -0.147 4.208 4.340 0.026 0.000 0.202 500 Q C 2.427 178.057 176.000 -0.617 0.000 0.978 500 Q CA 1.700 57.102 55.803 -0.668 0.000 0.844 500 Q CB -0.610 27.682 28.738 -0.744 0.000 0.898 500 Q HN 0.715 nan 8.270 nan 0.000 0.426 501 G N 1.331 109.999 108.800 -0.220 0.000 2.440 501 G HA2 -0.224 3.752 3.960 0.026 0.000 0.218 501 G HA3 -0.224 3.752 3.960 0.026 0.000 0.218 501 G C 1.401 176.255 174.900 -0.076 0.000 1.154 501 G CA 0.580 45.674 45.100 -0.010 0.000 0.767 501 G HN 0.150 nan 8.290 nan 0.000 0.552 502 I N 0.894 121.300 120.570 -0.274 0.000 2.179 502 I HA -0.096 4.090 4.170 0.026 0.000 0.242 502 I C 2.881 178.915 176.117 -0.139 0.000 1.088 502 I CA 1.080 62.247 61.300 -0.221 0.000 1.357 502 I CB -1.021 36.764 38.000 -0.358 0.000 1.051 502 I HN 0.237 nan 8.210 nan 0.000 0.409 503 M N -1.244 118.212 119.600 -0.240 0.000 2.213 503 M HA -0.210 4.286 4.480 0.026 0.000 0.263 503 M C 1.833 178.034 176.300 -0.166 0.000 1.062 503 M CA 1.514 56.664 55.300 -0.250 0.000 1.105 503 M CB -0.347 32.026 32.600 -0.378 0.000 1.385 503 M HN 0.276 nan 8.290 nan 0.000 0.417 504 W N 0.219 121.489 121.300 -0.050 0.000 3.180 504 W HA 0.022 4.697 4.660 0.025 0.000 0.254 504 W C 0.457 177.019 176.519 0.072 0.000 1.318 504 W CA 0.377 57.736 57.345 0.023 0.000 1.608 504 W CB -0.906 28.627 29.460 0.120 0.000 1.124 504 W HN 0.362 nan 8.180 nan 0.000 0.694 505 D N 0.076 120.599 120.400 0.204 0.000 2.945 505 D HA -0.205 4.450 4.640 0.026 0.000 0.225 505 D C 0.048 176.481 176.300 0.222 0.000 1.158 505 D CA 0.962 55.058 54.000 0.160 0.000 0.805 505 D CB -1.354 39.516 40.800 0.117 0.000 1.098 505 D HN 0.291 nan 8.370 nan 0.000 0.426 506 I N -4.121 116.606 120.570 0.262 0.000 2.947 506 I HA 0.544 4.730 4.170 0.026 0.000 0.314 506 I C 0.364 176.638 176.117 0.262 0.000 1.028 506 I CA -1.071 60.390 61.300 0.268 0.000 1.077 506 I CB 1.404 39.537 38.000 0.221 0.000 1.274 506 I HN -0.159 nan 8.210 nan 0.000 0.485 507 N N 1.865 120.667 118.700 0.170 0.000 2.462 507 N HA 0.231 4.987 4.740 0.026 0.000 0.242 507 N C 0.106 175.577 175.510 -0.065 0.000 1.010 507 N CA -0.081 52.951 53.050 -0.030 0.000 0.939 507 N CB 1.030 39.298 38.487 -0.364 0.000 1.127 507 N HN 0.645 nan 8.380 nan 0.000 0.509 508 S N 2.528 118.081 115.700 -0.246 0.000 2.603 508 S HA 0.079 4.565 4.470 0.026 0.000 0.229 508 S C 0.528 174.744 174.600 -0.640 0.000 0.972 508 S CA 0.458 58.324 58.200 -0.556 0.000 0.935 508 S CB -0.191 62.465 63.200 -0.906 0.000 0.769 508 S HN 0.617 nan 8.310 nan 0.000 0.536 509 F N 0.857 120.877 119.950 0.116 0.000 2.746 509 F HA 0.260 4.800 4.527 0.020 0.000 0.320 509 F C 0.611 176.426 175.800 0.026 0.000 1.097 509 F CA -0.890 57.187 58.000 0.127 0.000 1.195 509 F CB 0.346 39.419 39.000 0.123 0.000 1.056 509 F HN 0.080 nan 8.300 nan 0.000 0.562 510 D N -0.017 120.409 120.400 0.043 0.000 2.487 510 D HA 0.322 4.978 4.640 0.026 0.000 0.262 510 D C -0.080 176.109 176.300 -0.185 0.000 1.130 510 D CA -0.529 53.375 54.000 -0.160 0.000 1.038 510 D CB 0.565 41.216 40.800 -0.248 0.000 1.142 510 D HN 0.056 nan 8.370 nan 0.000 0.575 511 Q N -0.717 118.855 119.800 -0.381 0.000 3.693 511 Q HA 0.103 4.458 4.340 0.026 0.000 0.226 511 Q C -0.797 175.081 176.000 -0.202 0.000 0.757 511 Q CA -0.544 55.140 55.803 -0.199 0.000 0.891 511 Q CB -1.349 27.316 28.738 -0.121 0.000 1.561 511 Q HN 0.742 nan 8.270 nan 0.000 0.390 512 W N 0.933 122.262 121.300 0.048 0.000 2.525 512 W HA 0.094 4.766 4.660 0.020 0.000 0.259 512 W C 1.936 178.484 176.519 0.049 0.000 1.253 512 W CA 1.075 58.449 57.345 0.050 0.000 1.262 512 W CB 0.171 29.664 29.460 0.055 0.000 1.122 512 W HN 0.611 nan 8.180 nan 0.000 0.607 513 G N 0.360 109.288 108.800 0.214 0.000 2.679 513 G HA2 -0.127 3.849 3.960 0.026 0.000 0.212 513 G HA3 -0.127 3.849 3.960 0.026 0.000 0.212 513 G C 1.272 176.223 174.900 0.084 0.000 1.137 513 G CA 1.117 46.303 45.100 0.144 0.000 0.787 513 G HN 0.298 nan 8.290 nan 0.000 0.534 514 V N -2.328 117.624 119.914 0.063 0.000 3.608 514 V HA 0.268 4.403 4.120 0.026 0.000 0.269 514 V C 1.874 177.998 176.094 0.051 0.000 1.245 514 V CA 1.281 63.601 62.300 0.034 0.000 1.138 514 V CB 0.322 32.146 31.823 0.001 0.000 0.841 514 V HN 0.391 nan 8.190 nan 0.000 0.451 515 E N 0.606 120.861 120.200 0.093 0.000 2.046 515 E HA -0.197 4.169 4.350 0.026 0.000 0.190 515 E C 2.045 178.691 176.600 0.078 0.000 0.982 515 E CA 1.527 57.988 56.400 0.102 0.000 0.800 515 E CB -0.136 29.668 29.700 0.172 0.000 0.756 515 E HN 0.535 nan 8.360 nan 0.000 0.449 516 L N 0.813 122.082 121.223 0.077 0.000 2.012 516 L HA -0.075 4.281 4.340 0.026 0.000 0.210 516 L C 2.249 179.145 176.870 0.042 0.000 1.073 516 L CA 2.522 57.397 54.840 0.058 0.000 0.748 516 L CB -1.039 41.051 42.059 0.052 0.000 0.891 516 L HN 0.249 nan 8.230 nan 0.000 0.431 517 G N -0.924 107.895 108.800 0.033 0.000 2.442 517 G HA2 -0.299 3.677 3.960 0.026 0.000 0.219 517 G HA3 -0.299 3.677 3.960 0.026 0.000 0.219 517 G C 1.697 176.610 174.900 0.021 0.000 1.141 517 G CA 1.020 46.132 45.100 0.020 0.000 0.763 517 G HN 0.443 nan 8.290 nan 0.000 0.554 518 K N 0.010 120.425 120.400 0.026 0.000 2.057 518 K HA -0.061 4.275 4.320 0.026 0.000 0.206 518 K C 2.776 179.394 176.600 0.030 0.000 1.050 518 K CA 1.326 57.627 56.287 0.024 0.000 0.935 518 K CB -0.167 32.348 32.500 0.026 0.000 0.715 518 K HN 0.366 nan 8.250 nan 0.000 0.439 519 Q N 0.568 120.391 119.800 0.039 0.000 2.050 519 Q HA -0.102 4.254 4.340 0.026 0.000 0.202 519 Q C 2.117 178.143 176.000 0.044 0.000 0.980 519 Q CA 1.211 57.039 55.803 0.042 0.000 0.840 519 Q CB -0.102 28.665 28.738 0.047 0.000 0.898 519 Q HN 0.294 nan 8.270 nan 0.000 0.424 520 L N 0.000 121.250 121.223 0.044 0.000 2.217 520 L HA -0.081 4.274 4.340 0.026 0.000 0.211 520 L C 2.411 179.309 176.870 0.047 0.000 1.107 520 L CA 0.612 55.485 54.840 0.055 0.000 0.783 520 L CB -0.538 41.552 42.059 0.051 0.000 0.919 520 L HN 0.204 nan 8.230 nan 0.000 0.442 521 A N 0.443 123.280 122.820 0.029 0.000 1.929 521 A HA -0.168 4.168 4.320 0.026 0.000 0.216 521 A C 2.315 179.915 177.584 0.027 0.000 1.176 521 A CA 1.279 53.328 52.037 0.019 0.000 0.628 521 A CB -0.226 18.780 19.000 0.010 0.000 0.816 521 A HN 0.280 nan 8.150 nan 0.000 0.444 522 K N -0.073 120.346 120.400 0.031 0.000 2.147 522 K HA -0.111 4.225 4.320 0.026 0.000 0.205 522 K C 1.950 178.574 176.600 0.040 0.000 1.049 522 K CA 1.503 57.809 56.287 0.031 0.000 0.936 522 K CB -0.108 32.410 32.500 0.029 0.000 0.722 522 K HN 0.421 nan 8.250 nan 0.000 0.446 523 K N 0.562 120.995 120.400 0.055 0.000 2.103 523 K HA -0.025 4.311 4.320 0.026 0.000 0.204 523 K C 1.957 178.615 176.600 0.097 0.000 1.052 523 K CA 1.009 57.340 56.287 0.073 0.000 0.945 523 K CB 0.027 32.583 32.500 0.093 0.000 0.722 523 K HN 0.074 nan 8.250 nan 0.000 0.443 524 I N 1.025 121.650 120.570 0.092 0.000 2.617 524 I HA -0.184 4.002 4.170 0.026 0.000 0.256 524 I C 1.991 178.137 176.117 0.049 0.000 1.167 524 I CA 0.887 62.233 61.300 0.078 0.000 1.469 524 I CB -0.078 37.922 38.000 0.000 0.000 1.098 524 I HN 0.190 nan 8.210 nan 0.000 0.436 525 E N 1.215 121.437 120.200 0.037 0.000 2.033 525 E HA -0.232 4.133 4.350 0.026 0.000 0.199 525 E C -0.597 176.019 176.600 0.027 0.000 1.011 525 E CA 1.829 58.244 56.400 0.026 0.000 0.815 525 E CB -0.959 28.753 29.700 0.021 0.000 0.755 525 E HN 0.427 nan 8.360 nan 0.000 0.451 526 P HA -0.122 nan 4.420 nan 0.000 0.223 526 P C 0.456 177.776 177.300 0.032 0.000 1.151 526 P CA 1.226 64.343 63.100 0.027 0.000 0.787 526 P CB 0.051 31.766 31.700 0.026 0.000 0.788 527 E N -0.038 120.190 120.200 0.047 0.000 2.208 527 E HA -0.046 4.320 4.350 0.026 0.000 0.193 527 E C 2.073 178.697 176.600 0.041 0.000 0.988 527 E CA 0.541 56.974 56.400 0.055 0.000 0.828 527 E CB -0.485 29.275 29.700 0.100 0.000 0.763 527 E HN 0.280 nan 8.360 nan 0.000 0.478 528 L N 1.185 122.427 121.223 0.032 0.000 2.201 528 L HA -0.092 4.264 4.340 0.026 0.000 0.212 528 L C 0.708 177.587 176.870 0.015 0.000 1.105 528 L CA 0.649 55.502 54.840 0.021 0.000 0.775 528 L CB -0.285 41.783 42.059 0.015 0.000 0.913 528 L HN 0.059 nan 8.230 nan 0.000 0.440 529 E N 0.031 120.240 120.200 0.016 0.000 2.373 529 E HA 0.389 4.755 4.350 0.026 0.000 0.267 529 E C 0.580 177.186 176.600 0.010 0.000 1.032 529 E CA 0.372 56.779 56.400 0.011 0.000 0.889 529 E CB 0.618 30.324 29.700 0.011 0.000 0.984 529 E HN 0.221 nan 8.360 nan 0.000 0.425 530 G N 1.597 110.400 108.800 0.006 0.000 2.796 530 G HA2 -0.244 3.732 3.960 0.026 0.000 0.571 530 G HA3 -0.244 3.732 3.960 0.026 0.000 0.571 530 G C 0.307 175.209 174.900 0.003 0.000 1.370 530 G CA -0.215 44.888 45.100 0.004 0.000 0.856 530 G HN 0.484 nan 8.290 nan 0.000 0.538 531 S N -0.560 115.141 115.700 0.002 0.000 2.556 531 S HA 0.371 4.857 4.470 0.026 0.000 0.216 531 S C 1.325 175.928 174.600 0.004 0.000 0.970 531 S CA 0.788 58.988 58.200 -0.000 0.000 0.912 531 S CB 0.226 63.424 63.200 -0.004 0.000 0.790 531 S HN 1.838 nan 8.310 nan 0.000 0.504 532 S N 2.150 117.855 115.700 0.008 0.000 2.576 532 S HA 0.633 5.119 4.470 0.026 0.000 0.276 532 S C 0.295 174.906 174.600 0.018 0.000 1.339 532 S CA -0.690 57.517 58.200 0.012 0.000 1.039 532 S CB 0.680 63.887 63.200 0.012 0.000 0.902 532 S HN 0.438 nan 8.310 nan 0.000 0.516 533 A N 2.603 125.435 122.820 0.020 0.000 2.462 533 A HA 0.496 4.832 4.320 0.026 0.000 0.243 533 A C 0.010 177.616 177.584 0.036 0.000 1.076 533 A CA -0.612 51.442 52.037 0.027 0.000 0.773 533 A CB -0.076 18.939 19.000 0.025 0.000 1.010 533 A HN 0.877 nan 8.150 nan 0.000 0.493 534 V N 2.555 122.500 119.914 0.052 0.000 2.394 534 V HA 0.449 4.585 4.120 0.026 0.000 0.282 534 V C 1.115 177.256 176.094 0.079 0.000 1.031 534 V CA 0.552 62.897 62.300 0.075 0.000 0.881 534 V CB 1.333 33.224 31.823 0.115 0.000 0.982 534 V HN 1.140 nan 8.190 nan 0.000 0.451 535 T N -1.650 112.938 114.554 0.056 0.000 3.111 535 T HA 0.012 4.377 4.350 0.026 0.000 0.284 535 T C 1.396 176.104 174.700 0.013 0.000 0.983 535 T CA 0.433 62.557 62.100 0.040 0.000 0.900 535 T CB 0.227 69.107 68.868 0.020 0.000 1.132 535 T HN 0.634 nan 8.240 nan 0.000 0.531 536 S N 0.513 116.196 115.700 -0.027 0.000 2.489 536 S HA 0.090 4.576 4.470 0.026 0.000 0.228 536 S C 0.797 175.231 174.600 -0.276 0.000 0.995 536 S CA -0.197 57.895 58.200 -0.180 0.000 0.934 536 S CB -0.530 62.500 63.200 -0.283 0.000 0.771 536 S HN 0.679 nan 8.310 nan 0.000 0.522 537 H N 1.909 120.983 119.070 0.006 0.000 2.994 537 H HA 0.322 4.892 4.556 0.024 0.000 0.276 537 H C -0.180 175.150 175.328 0.003 0.000 1.575 537 H CA -0.370 55.681 56.048 0.005 0.000 1.583 537 H CB 0.033 29.799 29.762 0.006 0.000 1.735 537 H HN 0.419 nan 8.280 nan 0.000 0.901 538 D N -0.306 120.188 120.400 0.157 0.000 2.362 538 D HA -0.088 4.567 4.640 0.026 0.000 0.238 538 D C 1.044 177.386 176.300 0.070 0.000 1.212 538 D CA 0.285 54.332 54.000 0.078 0.000 0.902 538 D CB 0.868 41.700 40.800 0.053 0.000 1.180 538 D HN 0.540 nan 8.370 nan 0.000 0.445 539 S N 0.128 115.852 115.700 0.040 0.000 2.442 539 S HA -0.206 4.280 4.470 0.026 0.000 0.236 539 S C 1.939 176.550 174.600 0.019 0.000 1.007 539 S CA 1.186 59.405 58.200 0.031 0.000 0.965 539 S CB -0.232 62.979 63.200 0.019 0.000 0.773 539 S HN 0.558 nan 8.310 nan 0.000 0.504 540 S N 1.393 117.098 115.700 0.008 0.000 2.345 540 S HA -0.091 4.395 4.470 0.026 0.000 0.219 540 S C 1.978 176.566 174.600 -0.020 0.000 1.031 540 S CA 1.715 59.908 58.200 -0.011 0.000 0.984 540 S CB -1.282 61.906 63.200 -0.022 0.000 0.874 540 S HN 0.662 nan 8.310 nan 0.000 0.451 541 T N 3.043 117.580 114.554 -0.028 0.000 2.684 541 T HA -0.097 4.269 4.350 0.026 0.000 0.267 541 T C 1.751 176.417 174.700 -0.056 0.000 1.036 541 T CA 1.670 63.716 62.100 -0.090 0.000 1.148 541 T CB -0.697 68.062 68.868 -0.182 0.000 0.863 541 T HN 0.418 nan 8.240 nan 0.000 0.436 542 N N 0.985 119.699 118.700 0.023 0.000 2.104 542 N HA -0.061 4.695 4.740 0.026 0.000 0.190 542 N C 2.144 177.681 175.510 0.044 0.000 1.024 542 N CA 1.454 54.541 53.050 0.061 0.000 0.853 542 N CB -0.900 37.635 38.487 0.079 0.000 1.008 542 N HN 0.517 nan 8.380 nan 0.000 0.424 543 G N 0.773 109.592 108.800 0.032 0.000 2.403 543 G HA2 -0.097 3.879 3.960 0.026 0.000 0.216 543 G HA3 -0.097 3.879 3.960 0.026 0.000 0.216 543 G C 1.700 176.634 174.900 0.058 0.000 1.154 543 G CA 0.214 45.337 45.100 0.040 0.000 0.784 543 G HN 0.215 nan 8.290 nan 0.000 0.538 544 L N 0.096 121.335 121.223 0.026 0.000 2.056 544 L HA 0.017 4.373 4.340 0.026 0.000 0.207 544 L C 2.810 179.738 176.870 0.096 0.000 1.078 544 L CA 0.629 55.495 54.840 0.043 0.000 0.749 544 L CB -0.335 41.717 42.059 -0.013 0.000 0.901 544 L HN 0.174 nan 8.230 nan 0.000 0.433 545 I N -0.798 119.800 120.570 0.047 0.000 2.208 545 I HA -0.304 3.882 4.170 0.026 0.000 0.245 545 I C 2.645 178.803 176.117 0.068 0.000 1.097 545 I CA 1.195 62.522 61.300 0.046 0.000 1.363 545 I CB -0.286 37.727 38.000 0.022 0.000 1.051 545 I HN 0.169 nan 8.210 nan 0.000 0.413 546 S N 0.559 116.307 115.700 0.079 0.000 2.370 546 S HA -0.221 4.265 4.470 0.026 0.000 0.226 546 S C 1.890 176.547 174.600 0.096 0.000 1.033 546 S CA 1.535 59.780 58.200 0.076 0.000 1.011 546 S CB -0.486 62.761 63.200 0.077 0.000 0.852 546 S HN 0.403 nan 8.310 nan 0.000 0.457 547 F N 1.946 121.893 119.950 -0.005 0.000 2.095 547 F HA -0.108 4.434 4.527 0.025 0.000 0.298 547 F C 1.874 177.670 175.800 -0.006 0.000 1.104 547 F CA 1.192 59.189 58.000 -0.006 0.000 1.232 547 F CB -0.383 38.611 39.000 -0.009 0.000 0.987 547 F HN 0.117 nan 8.300 nan 0.000 0.475 548 I N 0.354 120.991 120.570 0.111 0.000 2.163 548 I HA -0.350 3.836 4.170 0.026 0.000 0.243 548 I C 2.357 178.434 176.117 -0.067 0.000 1.085 548 I CA 1.664 62.972 61.300 0.013 0.000 1.347 548 I CB -0.487 37.551 38.000 0.065 0.000 1.044 548 I HN 0.080 nan 8.210 nan 0.000 0.408 549 K N 0.005 120.383 120.400 -0.036 0.000 2.057 549 K HA -0.232 4.104 4.320 0.026 0.000 0.207 549 K C 2.200 178.751 176.600 -0.083 0.000 1.049 549 K CA 1.143 57.404 56.287 -0.043 0.000 0.931 549 K CB -0.258 32.234 32.500 -0.014 0.000 0.714 549 K HN 0.338 nan 8.250 nan 0.000 0.440 550 Q N 0.650 120.379 119.800 -0.119 0.000 2.084 550 Q HA -0.162 4.194 4.340 0.026 0.000 0.202 550 Q C 1.791 177.664 176.000 -0.211 0.000 0.978 550 Q CA 1.424 57.137 55.803 -0.151 0.000 0.844 550 Q CB 0.264 28.907 28.738 -0.158 0.000 0.898 550 Q HN 0.305 nan 8.270 nan 0.000 0.426 551 Q N -0.384 119.217 119.800 -0.331 0.000 2.392 551 Q HA 0.012 4.368 4.340 0.026 0.000 0.203 551 Q C 1.726 177.616 176.000 -0.184 0.000 0.917 551 Q CA 0.168 55.768 55.803 -0.338 0.000 0.939 551 Q CB 0.061 28.433 28.738 -0.611 0.000 1.063 551 Q HN 0.272 nan 8.270 nan 0.000 0.516 552 R N 1.152 121.571 120.500 -0.135 0.000 2.117 552 R HA -0.133 4.223 4.340 0.026 0.000 0.243 552 R C 0.570 176.835 176.300 -0.059 0.000 1.143 552 R CA 1.572 57.626 56.100 -0.077 0.000 0.968 552 R CB 0.244 30.511 30.300 -0.056 0.000 0.863 552 R HN 0.111 nan 8.270 nan 0.000 0.444 553 D N -0.568 119.795 120.400 -0.062 0.000 2.462 553 D HA 0.056 4.712 4.640 0.026 0.000 0.221 553 D C -0.537 175.737 176.300 -0.044 0.000 1.173 553 D CA 0.126 54.099 54.000 -0.044 0.000 0.831 553 D CB 0.839 41.617 40.800 -0.036 0.000 1.001 553 D HN 0.108 nan 8.370 nan 0.000 0.499 554 T N 1.875 116.394 114.554 -0.059 0.000 2.817 554 T HA 0.038 4.404 4.350 0.026 0.000 0.295 554 T C 0.753 175.433 174.700 -0.033 0.000 0.958 554 T CA 0.180 62.249 62.100 -0.051 0.000 1.157 554 T CB 0.908 69.735 68.868 -0.069 0.000 0.898 554 T HN -0.159 nan 8.240 nan 0.000 0.536 555 K N 5.204 125.590 120.400 -0.024 0.000 2.184 555 K HA 0.264 4.600 4.320 0.026 0.000 0.259 555 K C 0.238 176.831 176.600 -0.011 0.000 1.119 555 K CA -0.197 56.081 56.287 -0.015 0.000 0.991 555 K CB 0.333 32.826 32.500 -0.012 0.000 1.522 555 K HN 0.509 nan 8.250 nan 0.000 0.405 556 L N 0.000 121.217 121.223 -0.010 0.000 2.949 556 L HA 0.000 4.356 4.340 0.026 0.000 0.249 556 L CA 0.000 54.837 54.840 -0.004 0.000 0.813 556 L CB 0.000 42.058 42.059 -0.002 0.000 0.961 556 L HN 0.000 nan 8.230 nan 0.000 0.502