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 1wue_1_A DATA FIRST_RESID 998 DATA SEQUENCE GSHMNIQSIE TYQVRLPLKT PFVTSYGRLE EKAFDLFVIT DEQGNQGFGE DATA SEQUENCE LVAFEQPDYV QETLVTERFI IQQHLIPLLL TEAIEQPQEV STIFEEVKGH DATA SEQUENCE WMGKAALETA IWDLYAKRQQ KSLTEFFGPT RRKIPVGISL GIQEDLPQLL DATA SEQUENCE KQVQLAVEKG YQRVKLKIRP GYDVEPVALI RQHFPNLPLM VDANSAYTLA DATA SEQUENCE DLPQLQRLDH YQLAMIEQPF AADDFLDHAQ LQRELKTRIC LDENIRSLKD DATA SEQUENCE CQVALALGSC RSINLKIPRV GGIHEALKIA AFCQENDLLV WLGGMFESGV DATA SEQUENCE GRALNLQFAS QPTFSFPGDI SATERYFYED IITEPFILEQ GTMTVPQGLG DATA SEQUENCE IGVTLSQTNL LKYSQYQKIM 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 998 G HA2 0.000 nan 3.960 nan 0.000 0.244 998 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 998 G C 0.000 174.982 174.900 0.137 0.000 0.946 998 G CA 0.000 45.206 45.100 0.177 0.000 0.502 999 S N 0.557 116.358 115.700 0.169 0.000 2.460 999 S HA 0.466 4.936 4.470 0.000 0.000 0.211 999 S C 0.121 174.799 174.600 0.131 0.000 1.312 999 S CA -0.704 57.553 58.200 0.095 0.000 1.256 999 S CB -0.428 62.821 63.200 0.081 0.000 1.086 999 S HN 1.053 nan 8.310 nan 0.000 0.507 1000 H N -0.467 118.603 119.070 0.001 0.000 2.572 1000 H HA 0.503 5.059 4.556 0.000 0.000 0.359 1000 H C -0.875 174.449 175.328 -0.008 0.000 1.134 1000 H CA -1.413 54.627 56.048 -0.014 0.000 1.187 1000 H CB 0.871 30.615 29.762 -0.030 0.000 1.597 1000 H HN 0.277 nan 8.280 nan 0.000 0.524 1001 M N 2.989 122.591 119.600 0.004 0.000 2.455 1001 M HA 0.073 4.553 4.480 0.000 0.000 0.331 1001 M C 0.412 176.703 176.300 -0.014 0.000 1.481 1001 M CA 0.245 55.525 55.300 -0.034 0.000 1.362 1001 M CB -0.404 32.191 32.600 -0.008 0.000 1.564 1001 M HN 0.556 nan 8.290 nan 0.000 0.458 1002 N N 4.364 123.027 118.700 -0.062 0.000 2.415 1002 N HA 0.253 4.993 4.740 0.000 0.000 0.246 1002 N C -0.803 174.708 175.510 0.003 0.000 1.078 1002 N CA -0.441 52.608 53.050 -0.002 0.000 0.942 1002 N CB 0.629 39.095 38.487 -0.035 0.000 1.140 1002 N HN 0.611 nan 8.380 nan 0.000 0.501 1003 I N 3.517 124.099 120.570 0.020 0.000 2.505 1003 I HA -0.057 4.113 4.170 0.000 0.000 0.287 1003 I C 1.255 177.389 176.117 0.029 0.000 1.104 1003 I CA -0.194 61.122 61.300 0.026 0.000 1.387 1003 I CB 1.182 39.201 38.000 0.032 0.000 1.404 1003 I HN 0.557 nan 8.210 nan 0.000 0.528 1004 Q N 3.895 123.714 119.800 0.031 0.000 2.297 1004 Q HA 0.111 4.451 4.340 0.000 0.000 0.203 1004 Q C 0.351 176.376 176.000 0.042 0.000 0.931 1004 Q CA 0.445 56.268 55.803 0.032 0.000 0.885 1004 Q CB 0.528 29.283 28.738 0.029 0.000 0.991 1004 Q HN 0.829 nan 8.270 nan 0.000 0.498 1005 S N -0.924 114.810 115.700 0.056 0.000 2.552 1005 S HA 0.672 5.142 4.470 0.000 0.000 0.272 1005 S C -0.952 173.700 174.600 0.087 0.000 1.150 1005 S CA -0.894 57.345 58.200 0.065 0.000 0.849 1005 S CB 1.267 64.511 63.200 0.074 0.000 1.113 1005 S HN 0.080 nan 8.310 nan 0.000 0.458 1006 I N 1.439 122.058 120.570 0.081 0.000 2.478 1006 I HA 0.466 4.636 4.170 0.000 0.000 0.287 1006 I C -0.658 175.501 176.117 0.070 0.000 1.042 1006 I CA -0.408 60.960 61.300 0.113 0.000 1.067 1006 I CB 2.083 40.154 38.000 0.119 0.000 1.233 1006 I HN 0.722 nan 8.210 nan 0.000 0.431 1007 E N 3.266 123.520 120.200 0.089 0.000 2.227 1007 E HA 0.614 4.964 4.350 0.000 0.000 0.268 1007 E C -0.893 175.631 176.600 -0.127 0.000 0.907 1007 E CA -0.717 55.639 56.400 -0.072 0.000 0.786 1007 E CB 3.019 32.751 29.700 0.054 0.000 1.191 1007 E HN 0.410 nan 8.360 nan 0.000 0.411 1008 T N 1.263 115.561 114.554 -0.427 0.000 2.900 1008 T HA 0.538 4.889 4.350 0.000 0.000 0.295 1008 T C -1.905 172.446 174.700 -0.582 0.000 1.044 1008 T CA -0.531 61.269 62.100 -0.500 0.000 0.995 1008 T CB 0.528 69.036 68.868 -0.600 0.000 1.072 1008 T HN 0.330 nan 8.240 nan 0.000 0.473 1009 Y N 2.271 122.399 120.300 -0.287 0.000 2.338 1009 Y HA 0.435 4.985 4.550 0.000 0.000 0.333 1009 Y C 0.353 176.115 175.900 -0.229 0.000 0.968 1009 Y CA -0.916 57.085 58.100 -0.165 0.000 1.123 1009 Y CB 1.900 40.316 38.460 -0.073 0.000 1.165 1009 Y HN 0.467 nan 8.280 nan 0.000 0.452 1010 Q N 3.390 123.147 119.800 -0.070 0.000 2.421 1010 Q HA 0.460 4.800 4.340 0.000 0.000 0.242 1010 Q C -0.774 175.126 176.000 -0.166 0.000 1.024 1010 Q CA -0.593 55.134 55.803 -0.126 0.000 0.891 1010 Q CB 1.222 29.908 28.738 -0.087 0.000 1.222 1010 Q HN 0.424 nan 8.270 nan 0.000 0.483 1011 V N 2.733 122.409 119.914 -0.397 0.000 2.716 1011 V HA 0.479 4.599 4.120 0.000 0.000 0.304 1011 V C 0.170 175.933 176.094 -0.551 0.000 1.053 1011 V CA -0.806 61.159 62.300 -0.559 0.000 0.984 1011 V CB 1.575 32.747 31.823 -1.085 0.000 1.021 1011 V HN 0.685 nan 8.190 nan 0.000 0.467 1012 R N 2.814 123.142 120.500 -0.287 0.000 2.521 1012 R HA 0.452 4.792 4.340 0.000 0.000 0.295 1012 R C -1.785 174.452 176.300 -0.105 0.000 1.183 1012 R CA -0.724 55.297 56.100 -0.131 0.000 0.957 1012 R CB 1.574 31.861 30.300 -0.022 0.000 1.171 1012 R HN 0.443 nan 8.270 nan 0.000 0.494 1013 L N 4.589 125.749 121.223 -0.105 0.000 2.264 1013 L HA 0.423 4.763 4.340 0.000 0.000 0.289 1013 L C -2.300 174.583 176.870 0.022 0.000 1.044 1013 L CA -2.286 52.419 54.840 -0.225 0.000 0.807 1013 L CB 1.172 43.028 42.059 -0.338 0.000 1.192 1013 L HN 0.313 nan 8.230 nan 0.000 0.425 1014 P HA 0.048 nan 4.420 nan 0.000 0.261 1014 P C -0.805 176.695 177.300 0.333 0.000 1.183 1014 P CA 0.324 63.521 63.100 0.162 0.000 0.761 1014 P CB 0.324 32.121 31.700 0.161 0.000 0.785 1015 L N 4.030 125.352 121.223 0.164 0.000 2.343 1015 L HA 0.278 4.618 4.340 0.000 0.000 0.275 1015 L C 1.654 178.512 176.870 -0.020 0.000 1.056 1015 L CA -0.419 54.400 54.840 -0.034 0.000 0.804 1015 L CB 0.981 42.840 42.059 -0.333 0.000 1.203 1015 L HN 0.353 nan 8.230 nan 0.000 0.440 1016 K N 0.204 120.465 120.400 -0.231 0.000 2.217 1016 K HA 0.028 4.348 4.320 0.000 0.000 0.202 1016 K C -0.148 176.396 176.600 -0.093 0.000 1.051 1016 K CA 0.841 56.944 56.287 -0.305 0.000 0.952 1016 K CB 0.131 32.356 32.500 -0.458 0.000 0.736 1016 K HN 0.558 nan 8.250 nan 0.000 0.453 1017 T N 2.566 117.058 114.554 -0.103 0.000 3.038 1017 T HA 0.248 4.598 4.350 0.000 0.000 0.344 1017 T C -2.683 171.937 174.700 -0.132 0.000 1.054 1017 T CA -1.417 60.647 62.100 -0.061 0.000 1.092 1017 T CB 1.787 70.648 68.868 -0.011 0.000 1.031 1017 T HN -0.131 nan 8.240 nan 0.000 0.482 1018 P HA 0.095 nan 4.420 nan 0.000 0.266 1018 P C -0.390 176.851 177.300 -0.098 0.000 1.186 1018 P CA -0.198 62.800 63.100 -0.171 0.000 0.767 1018 P CB 0.311 31.976 31.700 -0.059 0.000 0.820 1019 F N 0.734 120.622 119.950 -0.104 0.000 2.389 1019 F HA 0.313 4.840 4.527 0.000 0.000 0.337 1019 F C 0.779 176.522 175.800 -0.096 0.000 1.112 1019 F CA -0.740 57.171 58.000 -0.149 0.000 1.192 1019 F CB 0.417 39.297 39.000 -0.201 0.000 1.185 1019 F HN -0.068 nan 8.300 nan 0.000 0.552 1020 V N 3.493 123.469 119.914 0.104 0.000 2.325 1020 V HA 0.541 4.661 4.120 0.000 0.000 0.280 1020 V C -0.344 175.728 176.094 -0.035 0.000 1.016 1020 V CA -0.124 62.190 62.300 0.023 0.000 0.818 1020 V CB 0.861 32.684 31.823 -0.001 0.000 1.019 1020 V HN 0.964 nan 8.190 nan 0.000 0.434 1021 T N 2.291 116.827 114.554 -0.031 0.000 2.938 1021 T HA 0.389 4.739 4.350 0.000 0.000 0.285 1021 T C 0.945 175.538 174.700 -0.178 0.000 1.028 1021 T CA 0.002 62.047 62.100 -0.092 0.000 1.005 1021 T CB 1.760 70.628 68.868 -0.000 0.000 1.157 1021 T HN 0.418 nan 8.240 nan 0.000 0.550 1022 S N -0.196 115.267 115.700 -0.395 0.000 2.603 1022 S HA 0.059 4.529 4.470 0.000 0.000 0.229 1022 S C 0.222 174.428 174.600 -0.657 0.000 0.972 1022 S CA 0.369 58.232 58.200 -0.562 0.000 0.935 1022 S CB -0.589 62.159 63.200 -0.752 0.000 0.769 1022 S HN 0.728 nan 8.310 nan 0.000 0.536 1023 Y N 0.736 121.036 120.300 -0.001 0.000 2.481 1023 Y HA 0.494 5.044 4.550 0.000 0.000 0.247 1023 Y C 1.184 177.092 175.900 0.014 0.000 1.151 1023 Y CA -0.276 57.829 58.100 0.009 0.000 1.238 1023 Y CB 0.291 38.759 38.460 0.015 0.000 1.179 1023 Y HN 0.194 nan 8.280 nan 0.000 0.524 1024 G N 0.553 109.398 108.800 0.074 0.000 2.357 1024 G HA2 -0.013 3.947 3.960 0.000 0.000 0.643 1024 G HA3 -0.013 3.947 3.960 0.000 0.000 0.643 1024 G C -1.207 173.732 174.900 0.065 0.000 1.358 1024 G CA -1.436 43.703 45.100 0.065 0.000 0.986 1024 G HN 0.058 nan 8.290 nan 0.000 0.620 1025 R N -0.656 119.875 120.500 0.053 0.000 2.389 1025 R HA 0.493 4.833 4.340 0.000 0.000 0.295 1025 R C -0.457 175.886 176.300 0.071 0.000 1.075 1025 R CA -0.402 55.731 56.100 0.056 0.000 1.005 1025 R CB 0.595 30.915 30.300 0.033 0.000 0.987 1025 R HN 0.261 nan 8.270 nan 0.000 0.452 1026 L N 3.066 124.345 121.223 0.094 0.000 2.294 1026 L HA 0.190 4.530 4.340 0.000 0.000 0.283 1026 L C 0.908 177.756 176.870 -0.038 0.000 1.015 1026 L CA 0.307 55.194 54.840 0.080 0.000 0.831 1026 L CB 1.474 43.657 42.059 0.206 0.000 1.217 1026 L HN 0.660 nan 8.230 nan 0.000 0.420 1027 E N 2.148 122.335 120.200 -0.022 0.000 2.418 1027 E HA -0.044 4.306 4.350 0.000 0.000 0.197 1027 E C 0.021 176.580 176.600 -0.068 0.000 1.026 1027 E CA 0.469 56.843 56.400 -0.043 0.000 0.862 1027 E CB 0.454 30.159 29.700 0.008 0.000 0.799 1027 E HN 0.651 nan 8.360 nan 0.000 0.518 1028 E N 0.633 120.793 120.200 -0.067 0.000 2.429 1028 E HA 0.355 4.705 4.350 0.000 0.000 0.276 1028 E C -0.995 175.612 176.600 0.012 0.000 0.953 1028 E CA -1.077 55.314 56.400 -0.016 0.000 0.787 1028 E CB 1.292 31.022 29.700 0.050 0.000 1.307 1028 E HN -0.234 nan 8.360 nan 0.000 0.458 1029 K N 1.056 121.569 120.400 0.189 0.000 2.253 1029 K HA 0.512 4.833 4.320 0.000 0.000 0.277 1029 K C -0.987 175.846 176.600 0.388 0.000 1.053 1029 K CA -0.236 56.286 56.287 0.391 0.000 0.892 1029 K CB 0.994 33.900 32.500 0.677 0.000 1.102 1029 K HN 0.628 nan 8.250 nan 0.000 0.469 1030 A N 4.368 127.380 122.820 0.320 0.000 2.316 1030 A HA 0.753 5.073 4.320 0.000 0.000 0.284 1030 A C -0.861 176.904 177.584 0.302 0.000 1.115 1030 A CA -0.437 51.700 52.037 0.167 0.000 0.812 1030 A CB -0.204 18.867 19.000 0.119 0.000 1.064 1030 A HN 0.794 nan 8.150 nan 0.000 0.489 1031 F N -0.939 119.068 119.950 0.095 0.000 2.744 1031 F HA 0.625 5.152 4.527 0.000 0.000 0.311 1031 F C -1.713 174.126 175.800 0.065 0.000 1.144 1031 F CA -1.354 56.702 58.000 0.093 0.000 0.938 1031 F CB 0.923 39.975 39.000 0.086 0.000 1.292 1031 F HN 0.357 nan 8.300 nan 0.000 0.444 1032 D N 2.085 122.628 120.400 0.238 0.000 2.248 1032 D HA 0.635 5.275 4.640 0.000 0.000 0.246 1032 D C -1.140 175.251 176.300 0.152 0.000 1.027 1032 D CA -0.187 53.839 54.000 0.042 0.000 0.853 1032 D CB 2.372 43.151 40.800 -0.035 0.000 1.243 1032 D HN 0.435 nan 8.370 nan 0.000 0.462 1033 L N 1.528 122.749 121.223 -0.004 0.000 2.331 1033 L HA 0.560 4.900 4.340 0.000 0.000 0.275 1033 L C -0.935 175.837 176.870 -0.163 0.000 1.022 1033 L CA -0.589 54.325 54.840 0.123 0.000 0.812 1033 L CB 0.900 43.062 42.059 0.171 0.000 1.257 1033 L HN 0.278 nan 8.230 nan 0.000 0.435 1034 F N 1.713 121.819 119.950 0.260 0.000 2.529 1034 F HA 0.617 5.145 4.527 0.000 0.000 0.320 1034 F C -0.268 175.717 175.800 0.309 0.000 1.118 1034 F CA -0.870 57.273 58.000 0.239 0.000 0.915 1034 F CB 1.998 41.109 39.000 0.185 0.000 1.161 1034 F HN -0.049 nan 8.300 nan 0.000 0.445 1035 V N 5.108 125.286 119.914 0.439 0.000 2.407 1035 V HA 0.448 4.568 4.120 0.000 0.000 0.291 1035 V C -0.225 176.070 176.094 0.334 0.000 1.018 1035 V CA -0.664 61.917 62.300 0.468 0.000 0.842 1035 V CB 1.621 33.741 31.823 0.495 0.000 0.996 1035 V HN 0.539 nan 8.190 nan 0.000 0.426 1036 I N 4.044 124.781 120.570 0.278 0.000 2.355 1036 I HA 0.407 4.577 4.170 0.000 0.000 0.288 1036 I C 0.061 176.252 176.117 0.125 0.000 0.999 1036 I CA -0.128 61.279 61.300 0.178 0.000 1.163 1036 I CB 1.762 39.850 38.000 0.146 0.000 1.316 1036 I HN 0.481 nan 8.210 nan 0.000 0.454 1037 T N 4.500 119.120 114.554 0.110 0.000 2.771 1037 T HA 0.277 4.627 4.350 0.000 0.000 0.281 1037 T C -0.140 174.588 174.700 0.046 0.000 0.982 1037 T CA -0.733 61.413 62.100 0.077 0.000 0.978 1037 T CB 1.271 70.195 68.868 0.093 0.000 0.930 1037 T HN 0.618 nan 8.240 nan 0.000 0.447 1038 D N 1.746 122.159 120.400 0.021 0.000 2.469 1038 D HA 0.158 4.798 4.640 0.000 0.000 0.278 1038 D C 1.009 177.308 176.300 -0.002 0.000 1.231 1038 D CA -0.641 53.361 54.000 0.003 0.000 1.075 1038 D CB 0.464 41.254 40.800 -0.018 0.000 1.121 1038 D HN 0.395 nan 8.370 nan 0.000 0.571 1039 E N -1.248 118.939 120.200 -0.021 0.000 2.347 1039 E HA -0.092 4.258 4.350 0.000 0.000 0.196 1039 E C 1.648 178.237 176.600 -0.019 0.000 1.008 1039 E CA 0.992 57.380 56.400 -0.020 0.000 0.852 1039 E CB -0.475 29.203 29.700 -0.037 0.000 0.783 1039 E HN 0.504 nan 8.360 nan 0.000 0.505 1040 Q N -0.232 119.553 119.800 -0.025 0.000 2.425 1040 Q HA 0.190 4.530 4.340 0.000 0.000 0.204 1040 Q C 0.784 176.778 176.000 -0.010 0.000 0.933 1040 Q CA 0.463 56.253 55.803 -0.022 0.000 0.939 1040 Q CB 0.475 29.193 28.738 -0.033 0.000 1.044 1040 Q HN 0.475 nan 8.270 nan 0.000 0.513 1041 G N 0.962 109.762 108.800 -0.000 0.000 2.176 1041 G HA2 -0.250 3.710 3.960 0.000 0.000 0.232 1041 G HA3 -0.250 3.710 3.960 0.000 0.000 0.232 1041 G C -0.232 174.674 174.900 0.009 0.000 0.986 1041 G CA -0.127 44.980 45.100 0.013 0.000 0.643 1041 G HN 0.368 nan 8.290 nan 0.000 0.522 1042 N N 0.834 119.529 118.700 -0.009 0.000 2.508 1042 N HA 0.478 5.218 4.740 0.000 0.000 0.264 1042 N C 0.102 175.594 175.510 -0.029 0.000 1.216 1042 N CA 0.450 53.482 53.050 -0.030 0.000 0.943 1042 N CB 0.375 38.836 38.487 -0.044 0.000 1.113 1042 N HN 0.433 nan 8.380 nan 0.000 0.447 1043 Q N 0.351 120.099 119.800 -0.087 0.000 2.337 1043 Q HA 0.450 4.790 4.340 0.000 0.000 0.270 1043 Q C -0.662 175.138 176.000 -0.333 0.000 1.043 1043 Q CA -0.918 54.820 55.803 -0.108 0.000 0.794 1043 Q CB 2.344 31.082 28.738 0.000 0.000 1.281 1043 Q HN 0.652 nan 8.270 nan 0.000 0.446 1044 G N 1.695 110.403 108.800 -0.153 0.000 2.356 1044 G HA2 0.641 4.601 3.960 0.000 0.000 0.322 1044 G HA3 0.641 4.601 3.960 0.000 0.000 0.322 1044 G C -1.102 173.839 174.900 0.068 0.000 1.125 1044 G CA -0.171 44.846 45.100 -0.138 0.000 0.885 1044 G HN 0.304 nan 8.290 nan 0.000 0.467 1045 F N 0.704 120.759 119.950 0.175 0.000 2.469 1045 F HA 0.787 5.314 4.527 0.000 0.000 0.332 1045 F C 0.690 176.620 175.800 0.216 0.000 1.103 1045 F CA -1.565 56.553 58.000 0.196 0.000 0.979 1045 F CB 2.289 41.386 39.000 0.162 0.000 1.137 1045 F HN 0.662 nan 8.300 nan 0.000 0.463 1046 G N 1.045 110.122 108.800 0.462 0.000 2.660 1046 G HA2 0.573 4.533 3.960 0.000 0.000 0.294 1046 G HA3 0.573 4.533 3.960 0.000 0.000 0.294 1046 G C -2.094 173.044 174.900 0.396 0.000 1.369 1046 G CA -0.716 44.607 45.100 0.371 0.000 0.912 1046 G HN 0.582 nan 8.290 nan 0.000 0.479 1047 E N 0.074 120.465 120.200 0.318 0.000 2.272 1047 E HA 0.499 4.849 4.350 0.000 0.000 0.269 1047 E C -1.554 175.230 176.600 0.307 0.000 0.877 1047 E CA -0.859 55.733 56.400 0.320 0.000 0.755 1047 E CB 2.294 32.092 29.700 0.164 0.000 1.192 1047 E HN 0.365 nan 8.360 nan 0.000 0.422 1048 L N 6.442 127.904 121.223 0.399 0.000 2.255 1048 L HA 0.260 4.600 4.340 0.000 0.000 0.289 1048 L C 0.163 177.186 176.870 0.256 0.000 1.046 1048 L CA -0.073 54.960 54.840 0.321 0.000 0.816 1048 L CB 1.264 43.583 42.059 0.433 0.000 1.197 1048 L HN 0.580 nan 8.230 nan 0.000 0.427 1049 V N 2.832 122.831 119.914 0.141 0.000 3.590 1049 V HA 0.484 4.604 4.120 0.000 0.000 0.265 1049 V C 1.190 177.260 176.094 -0.040 0.000 1.239 1049 V CA 0.229 62.567 62.300 0.063 0.000 1.117 1049 V CB -0.766 31.039 31.823 -0.030 0.000 0.818 1049 V HN 0.893 nan 8.190 nan 0.000 0.451 1050 A N 0.901 123.721 122.820 -0.001 0.000 2.598 1050 A HA 0.261 4.581 4.320 0.000 0.000 0.239 1050 A C 0.042 177.640 177.584 0.023 0.000 1.032 1050 A CA 0.166 52.184 52.037 -0.032 0.000 0.760 1050 A CB -0.753 18.300 19.000 0.089 0.000 0.946 1050 A HN 0.553 nan 8.150 nan 0.000 0.512 1051 F N 0.291 120.336 119.950 0.158 0.000 2.480 1051 F HA 0.095 4.622 4.527 0.000 0.000 0.319 1051 F C 1.605 177.471 175.800 0.110 0.000 1.230 1051 F CA 0.140 58.210 58.000 0.116 0.000 1.285 1051 F CB 0.607 39.641 39.000 0.056 0.000 1.208 1051 F HN 0.729 nan 8.300 nan 0.000 0.579 1052 E N -0.108 120.291 120.200 0.331 0.000 2.502 1052 E HA -0.048 4.302 4.350 0.000 0.000 0.194 1052 E C -0.179 176.499 176.600 0.130 0.000 1.062 1052 E CA 0.083 56.601 56.400 0.197 0.000 0.867 1052 E CB 0.063 29.870 29.700 0.180 0.000 0.888 1052 E HN 0.346 nan 8.360 nan 0.000 0.510 1053 Q N 0.218 120.119 119.800 0.169 0.000 2.379 1053 Q HA 0.267 4.608 4.340 0.000 0.000 0.278 1053 Q C -2.857 173.248 176.000 0.175 0.000 1.068 1053 Q CA -2.546 53.328 55.803 0.117 0.000 0.816 1053 Q CB 1.569 30.472 28.738 0.274 0.000 1.387 1053 Q HN -0.215 nan 8.270 nan 0.000 0.413 1054 P HA 0.101 nan 4.420 nan 0.000 0.214 1054 P C -0.414 176.979 177.300 0.155 0.000 1.807 1054 P CA 0.059 63.242 63.100 0.140 0.000 0.921 1054 P CB 0.063 31.811 31.700 0.080 0.000 1.835 1055 D N -1.392 119.118 120.400 0.183 0.000 2.323 1055 D HA -0.161 4.480 4.640 0.000 0.000 0.218 1055 D C 1.766 178.163 176.300 0.162 0.000 0.973 1055 D CA 0.519 54.602 54.000 0.138 0.000 0.890 1055 D CB -0.967 39.882 40.800 0.082 0.000 1.011 1055 D HN 0.285 nan 8.370 nan 0.000 0.499 1056 Y N 0.722 121.080 120.300 0.097 0.000 2.138 1056 Y HA 0.209 4.759 4.550 0.000 0.000 0.286 1056 Y C 0.555 176.512 175.900 0.094 0.000 1.115 1056 Y CA 0.743 58.916 58.100 0.121 0.000 1.105 1056 Y CB 0.322 38.968 38.460 0.310 0.000 1.004 1056 Y HN -0.126 nan 8.280 nan 0.000 0.494 1057 V N 1.052 120.888 119.914 -0.129 0.000 3.160 1057 V HA 0.091 4.211 4.120 0.000 0.000 0.310 1057 V C 0.494 176.572 176.094 -0.027 0.000 1.181 1057 V CA -0.410 61.729 62.300 -0.268 0.000 1.047 1057 V CB 2.026 33.541 31.823 -0.514 0.000 1.068 1057 V HN 0.491 nan 8.190 nan 0.000 0.441 1058 Q N 0.990 120.778 119.800 -0.020 0.000 2.124 1058 Q HA -0.122 4.218 4.340 0.000 0.000 0.202 1058 Q C 0.223 176.268 176.000 0.074 0.000 0.977 1058 Q CA 1.193 57.020 55.803 0.039 0.000 0.850 1058 Q CB -0.311 28.451 28.738 0.040 0.000 0.901 1058 Q HN 0.779 nan 8.270 nan 0.000 0.429 1059 E N 2.411 122.667 120.200 0.093 0.000 2.413 1059 E HA 0.143 4.494 4.350 0.000 0.000 0.263 1059 E C -0.221 176.459 176.600 0.134 0.000 1.015 1059 E CA 0.704 57.177 56.400 0.121 0.000 0.916 1059 E CB 0.806 30.591 29.700 0.143 0.000 0.947 1059 E HN 0.420 nan 8.360 nan 0.000 0.440 1060 T N -0.232 114.402 114.554 0.134 0.000 2.916 1060 T HA 0.290 4.640 4.350 0.000 0.000 0.292 1060 T C 0.566 175.351 174.700 0.141 0.000 1.055 1060 T CA -0.976 61.206 62.100 0.138 0.000 1.009 1060 T CB 1.084 70.011 68.868 0.098 0.000 1.118 1060 T HN 0.314 nan 8.240 nan 0.000 0.497 1061 L N 2.445 123.758 121.223 0.150 0.000 2.013 1061 L HA -0.028 4.312 4.340 0.000 0.000 0.212 1061 L C 2.456 179.410 176.870 0.140 0.000 1.073 1061 L CA 1.844 56.777 54.840 0.154 0.000 0.753 1061 L CB -0.981 41.175 42.059 0.161 0.000 0.890 1061 L HN 0.725 nan 8.230 nan 0.000 0.432 1062 V N -0.300 119.681 119.914 0.112 0.000 2.295 1062 V HA -0.311 3.809 4.120 0.000 0.000 0.246 1062 V C 2.681 178.849 176.094 0.122 0.000 1.049 1062 V CA 2.223 64.582 62.300 0.097 0.000 1.024 1062 V CB -1.231 30.623 31.823 0.052 0.000 0.648 1062 V HN 0.782 nan 8.190 nan 0.000 0.447 1063 T N -2.387 112.237 114.554 0.117 0.000 2.777 1063 T HA -0.159 4.191 4.350 0.000 0.000 0.266 1063 T C 1.737 176.562 174.700 0.208 0.000 1.040 1063 T CA 1.190 63.380 62.100 0.150 0.000 1.141 1063 T CB -0.307 68.639 68.868 0.130 0.000 0.868 1063 T HN 0.377 nan 8.240 nan 0.000 0.444 1064 E N 1.324 121.637 120.200 0.187 0.000 2.110 1064 E HA -0.077 4.273 4.350 0.000 0.000 0.193 1064 E C 2.312 178.992 176.600 0.134 0.000 0.988 1064 E CA 0.773 57.271 56.400 0.164 0.000 0.804 1064 E CB -0.402 29.394 29.700 0.161 0.000 0.745 1064 E HN 0.614 nan 8.360 nan 0.000 0.458 1065 R N -0.190 120.417 120.500 0.178 0.000 2.105 1065 R HA -0.149 4.191 4.340 0.000 0.000 0.239 1065 R C 2.267 178.659 176.300 0.153 0.000 1.135 1065 R CA 1.201 57.419 56.100 0.196 0.000 0.967 1065 R CB -0.369 30.043 30.300 0.186 0.000 0.861 1065 R HN 0.177 nan 8.270 nan 0.000 0.442 1066 F N 0.841 120.799 119.950 0.014 0.000 2.128 1066 F HA -0.117 4.410 4.527 0.000 0.000 0.295 1066 F C 1.939 177.687 175.800 -0.087 0.000 1.100 1066 F CA 1.004 58.984 58.000 -0.033 0.000 1.260 1066 F CB -0.005 38.981 39.000 -0.024 0.000 1.009 1066 F HN -0.065 nan 8.300 nan 0.000 0.476 1067 I N 0.749 121.297 120.570 -0.037 0.000 2.264 1067 I HA -0.300 3.870 4.170 0.000 0.000 0.248 1067 I C 2.470 178.423 176.117 -0.274 0.000 1.111 1067 I CA 1.443 62.633 61.300 -0.182 0.000 1.382 1067 I CB -1.267 36.557 38.000 -0.294 0.000 1.060 1067 I HN 0.276 nan 8.210 nan 0.000 0.418 1068 I N 0.443 120.886 120.570 -0.211 0.000 2.163 1068 I HA -0.334 3.836 4.170 0.000 0.000 0.243 1068 I C 2.627 178.601 176.117 -0.237 0.000 1.085 1068 I CA 1.503 62.660 61.300 -0.238 0.000 1.347 1068 I CB -0.247 37.634 38.000 -0.199 0.000 1.044 1068 I HN 0.334 nan 8.210 nan 0.000 0.408 1069 Q N -0.339 119.320 119.800 -0.236 0.000 2.187 1069 Q HA -0.140 4.200 4.340 0.000 0.000 0.199 1069 Q C 2.176 177.941 176.000 -0.392 0.000 0.957 1069 Q CA 0.773 56.431 55.803 -0.242 0.000 0.857 1069 Q CB 0.028 28.661 28.738 -0.175 0.000 0.929 1069 Q HN 0.500 nan 8.270 nan 0.000 0.453 1070 Q N -0.662 118.732 119.800 -0.677 0.000 2.163 1070 Q HA -0.056 4.284 4.340 0.000 0.000 0.198 1070 Q C 1.464 176.946 176.000 -0.863 0.000 0.954 1070 Q CA 1.199 56.451 55.803 -0.918 0.000 0.851 1070 Q CB 0.385 28.196 28.738 -1.544 0.000 0.928 1070 Q HN 0.577 nan 8.270 nan 0.000 0.459 1071 H N -1.423 117.454 119.070 -0.322 0.000 2.258 1071 H HA 0.203 4.759 4.556 0.000 0.000 0.250 1071 H C 2.209 177.394 175.328 -0.238 0.000 0.908 1071 H CA -0.007 55.890 56.048 -0.253 0.000 1.096 1071 H CB 0.141 29.739 29.762 -0.274 0.000 1.422 1071 H HN 0.018 nan 8.280 nan 0.000 0.469 1072 L N 0.800 121.894 121.223 -0.214 0.000 2.027 1072 L HA -0.084 4.256 4.340 0.000 0.000 0.206 1072 L C 2.548 179.361 176.870 -0.096 0.000 1.074 1072 L CA 1.147 55.778 54.840 -0.348 0.000 0.745 1072 L CB -0.411 41.247 42.059 -0.669 0.000 0.898 1072 L HN 0.098 nan 8.230 nan 0.000 0.433 1073 I N -0.259 120.249 120.570 -0.103 0.000 2.179 1073 I HA -0.207 3.963 4.170 0.000 0.000 0.242 1073 I C -0.302 175.817 176.117 0.003 0.000 1.088 1073 I CA 1.476 62.764 61.300 -0.021 0.000 1.357 1073 I CB -1.225 36.747 38.000 -0.047 0.000 1.051 1073 I HN 0.183 nan 8.210 nan 0.000 0.409 1074 P HA -0.165 nan 4.420 nan 0.000 0.216 1074 P C 1.769 179.081 177.300 0.020 0.000 1.150 1074 P CA 1.157 64.244 63.100 -0.020 0.000 0.837 1074 P CB 0.096 31.764 31.700 -0.052 0.000 0.786 1075 L N -1.011 120.243 121.223 0.052 0.000 2.056 1075 L HA -0.115 4.225 4.340 0.000 0.000 0.207 1075 L C 2.320 179.265 176.870 0.124 0.000 1.078 1075 L CA 1.560 56.461 54.840 0.102 0.000 0.749 1075 L CB -1.591 40.567 42.059 0.165 0.000 0.901 1075 L HN -0.029 nan 8.230 nan 0.000 0.433 1076 L N -1.120 120.223 121.223 0.199 0.000 2.079 1076 L HA -0.226 4.114 4.340 0.000 0.000 0.210 1076 L C 1.776 178.661 176.870 0.025 0.000 1.081 1076 L CA 1.207 56.117 54.840 0.116 0.000 0.752 1076 L CB -0.082 42.084 42.059 0.178 0.000 0.896 1076 L HN 0.255 nan 8.230 nan 0.000 0.433 1077 L N -0.449 120.793 121.223 0.032 0.000 2.612 1077 L HA -0.009 4.332 4.340 0.000 0.000 0.230 1077 L C 2.345 179.215 176.870 0.001 0.000 1.140 1077 L CA 1.146 55.993 54.840 0.012 0.000 0.896 1077 L CB -1.100 40.967 42.059 0.013 0.000 1.065 1077 L HN 0.322 nan 8.230 nan 0.000 0.447 1078 T N -4.504 110.049 114.554 -0.002 0.000 3.067 1078 T HA 0.121 4.471 4.350 0.000 0.000 0.257 1078 T C 0.668 175.351 174.700 -0.027 0.000 1.105 1078 T CA 0.184 62.277 62.100 -0.012 0.000 1.104 1078 T CB 0.273 69.137 68.868 -0.007 0.000 0.925 1078 T HN 0.107 nan 8.240 nan 0.000 0.498 1079 E N 0.800 120.977 120.200 -0.038 0.000 2.317 1079 E HA 0.624 4.974 4.350 0.000 0.000 0.270 1079 E C -1.244 175.326 176.600 -0.050 0.000 0.885 1079 E CA -0.948 55.418 56.400 -0.056 0.000 0.760 1079 E CB 2.093 31.747 29.700 -0.077 0.000 1.227 1079 E HN 0.226 nan 8.360 nan 0.000 0.434 1080 A N 3.841 126.625 122.820 -0.060 0.000 2.805 1080 A HA 0.240 4.560 4.320 0.000 0.000 0.301 1080 A C 0.295 177.867 177.584 -0.021 0.000 1.557 1080 A CA -0.471 51.554 52.037 -0.021 0.000 1.254 1080 A CB -0.663 18.244 19.000 -0.155 0.000 1.114 1080 A HN 0.352 nan 8.150 nan 0.000 0.553 1081 I N 1.999 122.549 120.570 -0.033 0.000 2.668 1081 I HA -0.010 4.160 4.170 0.000 0.000 0.285 1081 I C 1.039 177.115 176.117 -0.068 0.000 1.168 1081 I CA 0.788 62.031 61.300 -0.094 0.000 1.424 1081 I CB -0.145 37.764 38.000 -0.151 0.000 1.377 1081 I HN 0.753 nan 8.210 nan 0.000 0.560 1082 E N 3.685 123.811 120.200 -0.123 0.000 2.290 1082 E HA 0.081 4.431 4.350 0.000 0.000 0.199 1082 E C -0.066 176.343 176.600 -0.318 0.000 0.912 1082 E CA 0.163 56.500 56.400 -0.105 0.000 0.924 1082 E CB 0.551 30.217 29.700 -0.056 0.000 0.901 1082 E HN 0.566 nan 8.360 nan 0.000 0.487 1083 Q N 0.818 120.353 119.800 -0.442 0.000 2.333 1083 Q HA 0.198 4.538 4.340 0.000 0.000 0.267 1083 Q C -2.075 173.449 176.000 -0.793 0.000 1.012 1083 Q CA -2.005 53.353 55.803 -0.741 0.000 0.824 1083 Q CB 1.804 30.250 28.738 -0.487 0.000 1.290 1083 Q HN 0.004 nan 8.270 nan 0.000 0.449 1084 P HA -0.254 nan 4.420 nan 0.000 0.221 1084 P C 0.923 177.709 177.300 -0.856 0.000 1.145 1084 P CA 1.429 63.834 63.100 -1.159 0.000 0.795 1084 P CB 0.326 30.822 31.700 -2.007 0.000 0.775 1085 Q N 0.473 119.848 119.800 -0.707 0.000 2.291 1085 Q HA -0.145 4.196 4.340 0.000 0.000 0.206 1085 Q C 1.743 177.460 176.000 -0.471 0.000 0.976 1085 Q CA 1.175 56.666 55.803 -0.519 0.000 0.875 1085 Q CB -0.803 27.690 28.738 -0.409 0.000 0.927 1085 Q HN 0.290 nan 8.270 nan 0.000 0.450 1086 E N 0.736 120.689 120.200 -0.410 0.000 2.268 1086 E HA -0.118 4.232 4.350 0.000 0.000 0.195 1086 E C 1.947 178.342 176.600 -0.342 0.000 0.995 1086 E CA 1.120 57.326 56.400 -0.322 0.000 0.836 1086 E CB 0.075 29.603 29.700 -0.285 0.000 0.763 1086 E HN 0.262 nan 8.360 nan 0.000 0.491 1087 V N 1.421 121.090 119.914 -0.408 0.000 2.261 1087 V HA -0.299 3.821 4.120 0.000 0.000 0.246 1087 V C 2.573 178.338 176.094 -0.548 0.000 1.047 1087 V CA 2.073 64.028 62.300 -0.575 0.000 1.015 1087 V CB -0.869 30.631 31.823 -0.539 0.000 0.642 1087 V HN 0.384 nan 8.190 nan 0.000 0.446 1088 S N -0.293 115.256 115.700 -0.252 0.000 2.400 1088 S HA -0.253 4.217 4.470 0.000 0.000 0.232 1088 S C 1.882 176.462 174.600 -0.034 0.000 1.025 1088 S CA 2.115 60.291 58.200 -0.040 0.000 0.993 1088 S CB -0.882 62.379 63.200 0.102 0.000 0.808 1088 S HN 0.594 nan 8.310 nan 0.000 0.478 1089 T N 2.731 117.215 114.554 -0.116 0.000 2.812 1089 T HA 0.134 4.484 4.350 0.000 0.000 0.264 1089 T C 1.735 176.403 174.700 -0.052 0.000 1.042 1089 T CA 1.146 63.206 62.100 -0.068 0.000 1.140 1089 T CB -0.294 68.515 68.868 -0.098 0.000 0.870 1089 T HN 0.288 nan 8.240 nan 0.000 0.445 1090 I N 0.906 121.400 120.570 -0.127 0.000 2.208 1090 I HA -0.088 4.082 4.170 0.000 0.000 0.245 1090 I C 1.965 178.156 176.117 0.123 0.000 1.097 1090 I CA 1.514 62.770 61.300 -0.074 0.000 1.363 1090 I CB -1.240 36.636 38.000 -0.205 0.000 1.051 1090 I HN 0.341 nan 8.210 nan 0.000 0.413 1091 F N 0.703 120.626 119.950 -0.044 0.000 2.748 1091 F HA -0.072 4.455 4.527 0.000 0.000 0.299 1091 F C 2.374 178.141 175.800 -0.055 0.000 1.154 1091 F CA -0.123 57.847 58.000 -0.049 0.000 1.446 1091 F CB -0.077 38.898 39.000 -0.042 0.000 1.112 1091 F HN 0.203 nan 8.300 nan 0.000 0.584 1092 E N 1.815 122.098 120.200 0.137 0.000 2.130 1092 E HA -0.274 4.077 4.350 0.000 0.000 0.196 1092 E C 1.917 178.529 176.600 0.019 0.000 0.998 1092 E CA 1.795 58.232 56.400 0.062 0.000 0.806 1092 E CB -0.039 29.688 29.700 0.043 0.000 0.738 1092 E HN 0.648 nan 8.360 nan 0.000 0.459 1093 E N -0.253 119.958 120.200 0.019 0.000 2.338 1093 E HA -0.055 4.295 4.350 0.000 0.000 0.197 1093 E C 0.343 176.911 176.600 -0.053 0.000 1.007 1093 E CA 0.304 56.696 56.400 -0.015 0.000 0.849 1093 E CB 0.129 29.823 29.700 -0.010 0.000 0.774 1093 E HN -0.015 nan 8.360 nan 0.000 0.506 1094 V N 2.928 122.802 119.914 -0.067 0.000 2.455 1094 V HA 0.059 4.179 4.120 0.000 0.000 0.273 1094 V C 0.230 176.237 176.094 -0.145 0.000 1.045 1094 V CA -0.361 61.861 62.300 -0.131 0.000 0.976 1094 V CB 1.034 32.743 31.823 -0.191 0.000 0.993 1094 V HN 0.151 nan 8.190 nan 0.000 0.475 1095 K N 3.971 124.289 120.400 -0.137 0.000 2.249 1095 K HA 0.529 4.849 4.320 0.000 0.000 0.280 1095 K C 0.895 177.278 176.600 -0.362 0.000 1.033 1095 K CA 0.702 56.869 56.287 -0.200 0.000 0.946 1095 K CB 1.068 33.492 32.500 -0.127 0.000 1.005 1095 K HN 0.984 nan 8.250 nan 0.000 0.469 1096 G N 1.985 110.319 108.800 -0.777 0.000 2.566 1096 G HA2 -0.368 3.592 3.960 0.000 0.000 0.280 1096 G HA3 -0.368 3.592 3.960 0.000 0.000 0.280 1096 G C -0.472 173.691 174.900 -1.228 0.000 1.225 1096 G CA 0.540 44.721 45.100 -1.532 0.000 0.966 1096 G HN 0.946 nan 8.290 nan 0.000 0.560 1097 H N -1.222 117.482 119.070 -0.610 0.000 2.655 1097 H HA -0.166 4.390 4.556 0.000 0.000 0.313 1097 H C 1.397 176.597 175.328 -0.214 0.000 1.141 1097 H CA 1.117 57.007 56.048 -0.265 0.000 1.138 1097 H CB -1.354 28.266 29.762 -0.237 0.000 1.446 1097 H HN 0.522 nan 8.280 nan 0.000 0.415 1098 W N 0.064 121.364 121.300 -0.000 0.000 2.333 1098 W HA -0.246 4.414 4.660 0.000 0.000 0.316 1098 W C 2.254 178.783 176.519 0.016 0.000 1.215 1098 W CA 1.611 58.960 57.345 0.006 0.000 1.278 1098 W CB -0.613 28.832 29.460 -0.024 0.000 1.154 1098 W HN 0.472 nan 8.180 nan 0.000 0.486 1099 M N 0.100 119.859 119.600 0.264 0.000 2.213 1099 M HA -0.088 4.393 4.480 0.000 0.000 0.263 1099 M C 2.388 178.753 176.300 0.109 0.000 1.062 1099 M CA 1.945 57.339 55.300 0.157 0.000 1.105 1099 M CB -0.989 31.689 32.600 0.129 0.000 1.385 1099 M HN -0.034 nan 8.290 nan 0.000 0.417 1100 G N 0.339 109.189 108.800 0.084 0.000 2.402 1100 G HA2 -0.164 3.797 3.960 0.000 0.000 0.216 1100 G HA3 -0.164 3.797 3.960 0.000 0.000 0.216 1100 G C 1.605 176.453 174.900 -0.087 0.000 1.162 1100 G CA 0.560 45.655 45.100 -0.007 0.000 0.777 1100 G HN 0.370 nan 8.290 nan 0.000 0.539 1101 K N 0.568 120.928 120.400 -0.066 0.000 2.026 1101 K HA 0.019 4.339 4.320 0.000 0.000 0.208 1101 K C 2.946 179.648 176.600 0.170 0.000 1.048 1101 K CA 1.070 57.342 56.287 -0.026 0.000 0.929 1101 K CB -0.257 32.281 32.500 0.064 0.000 0.713 1101 K HN 0.246 nan 8.250 nan 0.000 0.439 1102 A N 1.542 124.452 122.820 0.149 0.000 1.940 1102 A HA -0.157 4.163 4.320 0.000 0.000 0.219 1102 A C 2.360 180.026 177.584 0.136 0.000 1.176 1102 A CA 1.873 54.001 52.037 0.151 0.000 0.631 1102 A CB -0.713 18.354 19.000 0.112 0.000 0.814 1102 A HN 0.359 nan 8.150 nan 0.000 0.446 1103 A N -0.271 122.602 122.820 0.089 0.000 1.917 1103 A HA -0.098 4.222 4.320 0.000 0.000 0.219 1103 A C 2.149 179.763 177.584 0.050 0.000 1.182 1103 A CA 1.742 53.827 52.037 0.080 0.000 0.633 1103 A CB -0.532 18.463 19.000 -0.009 0.000 0.819 1103 A HN 0.507 nan 8.150 nan 0.000 0.448 1104 L N -1.554 119.670 121.223 0.002 0.000 2.202 1104 L HA -0.011 4.329 4.340 0.000 0.000 0.205 1104 L C 2.611 179.594 176.870 0.189 0.000 1.083 1104 L CA 0.971 55.853 54.840 0.069 0.000 0.790 1104 L CB -0.496 41.620 42.059 0.096 0.000 0.942 1104 L HN 0.396 nan 8.230 nan 0.000 0.452 1105 E N 0.753 121.111 120.200 0.262 0.000 2.077 1105 E HA -0.218 4.132 4.350 0.000 0.000 0.193 1105 E C 2.073 178.891 176.600 0.364 0.000 0.989 1105 E CA 2.109 58.666 56.400 0.263 0.000 0.800 1105 E CB 0.073 29.951 29.700 0.297 0.000 0.746 1105 E HN 0.550 nan 8.360 nan 0.000 0.452 1106 T N -1.392 113.336 114.554 0.290 0.000 2.867 1106 T HA 0.054 4.404 4.350 0.000 0.000 0.268 1106 T C 2.028 176.916 174.700 0.313 0.000 1.057 1106 T CA 1.213 63.489 62.100 0.293 0.000 1.136 1106 T CB -0.235 68.750 68.868 0.194 0.000 0.874 1106 T HN 0.178 nan 8.240 nan 0.000 0.466 1107 A N 1.666 124.646 122.820 0.265 0.000 1.930 1107 A HA 0.147 4.467 4.320 0.000 0.000 0.217 1107 A C 2.362 180.058 177.584 0.186 0.000 1.175 1107 A CA 0.944 53.127 52.037 0.244 0.000 0.627 1107 A CB -0.607 18.548 19.000 0.259 0.000 0.815 1107 A HN 0.472 nan 8.150 nan 0.000 0.443 1108 I N -2.073 118.593 120.570 0.159 0.000 2.315 1108 I HA -0.210 3.960 4.170 0.000 0.000 0.248 1108 I C 2.238 178.379 176.117 0.041 0.000 1.117 1108 I CA 0.815 62.142 61.300 0.046 0.000 1.404 1108 I CB -1.408 36.551 38.000 -0.068 0.000 1.071 1108 I HN 0.536 nan 8.210 nan 0.000 0.419 1109 W N 1.554 122.877 121.300 0.038 0.000 2.358 1109 W HA -0.235 4.425 4.660 0.000 0.000 0.303 1109 W C 2.446 178.995 176.519 0.051 0.000 1.208 1109 W CA 1.738 59.109 57.345 0.043 0.000 1.274 1109 W CB -0.602 28.924 29.460 0.110 0.000 1.138 1109 W HN 0.201 nan 8.180 nan 0.000 0.515 1110 D N -0.080 120.495 120.400 0.293 0.000 2.117 1110 D HA -0.200 4.440 4.640 0.000 0.000 0.197 1110 D C 2.045 178.379 176.300 0.057 0.000 0.987 1110 D CA 1.365 55.461 54.000 0.160 0.000 0.829 1110 D CB -0.366 40.510 40.800 0.127 0.000 0.961 1110 D HN 0.003 nan 8.370 nan 0.000 0.460 1111 L N -0.352 120.897 121.223 0.043 0.000 2.017 1111 L HA -0.130 4.210 4.340 0.000 0.000 0.208 1111 L C 2.130 179.006 176.870 0.011 0.000 1.073 1111 L CA 1.674 56.513 54.840 -0.002 0.000 0.745 1111 L CB -1.217 40.849 42.059 0.012 0.000 0.894 1111 L HN 0.171 nan 8.230 nan 0.000 0.432 1112 Y N 0.296 120.523 120.300 -0.122 0.000 2.145 1112 Y HA -0.217 4.333 4.550 0.000 0.000 0.286 1112 Y C 2.390 178.221 175.900 -0.115 0.000 1.145 1112 Y CA 1.774 59.765 58.100 -0.181 0.000 1.148 1112 Y CB -0.758 37.486 38.460 -0.360 0.000 0.981 1112 Y HN 0.270 nan 8.280 nan 0.000 0.507 1113 A N 0.390 123.147 122.820 -0.104 0.000 1.883 1113 A HA -0.229 4.091 4.320 0.000 0.000 0.217 1113 A C 2.233 179.817 177.584 -0.001 0.000 1.186 1113 A CA 2.144 54.215 52.037 0.056 0.000 0.624 1113 A CB -0.626 18.526 19.000 0.254 0.000 0.822 1113 A HN 0.531 nan 8.150 nan 0.000 0.444 1114 K N -0.888 119.495 120.400 -0.029 0.000 2.097 1114 K HA -0.131 4.189 4.320 0.000 0.000 0.206 1114 K C 2.328 178.881 176.600 -0.078 0.000 1.049 1114 K CA 1.481 57.738 56.287 -0.049 0.000 0.933 1114 K CB -0.177 32.281 32.500 -0.069 0.000 0.717 1114 K HN 0.373 nan 8.250 nan 0.000 0.442 1115 R N 0.656 121.086 120.500 -0.117 0.000 2.120 1115 R HA -0.093 4.247 4.340 0.000 0.000 0.234 1115 R C 1.719 177.921 176.300 -0.164 0.000 1.123 1115 R CA 1.144 57.164 56.100 -0.133 0.000 0.975 1115 R CB 0.175 30.390 30.300 -0.142 0.000 0.866 1115 R HN 0.177 nan 8.270 nan 0.000 0.446 1116 Q N 0.115 119.779 119.800 -0.226 0.000 2.403 1116 Q HA 0.016 4.356 4.340 0.000 0.000 0.203 1116 Q C -0.183 175.769 176.000 -0.080 0.000 0.932 1116 Q CA 0.211 55.911 55.803 -0.172 0.000 0.945 1116 Q CB 0.894 29.519 28.738 -0.188 0.000 1.045 1116 Q HN 0.220 nan 8.270 nan 0.000 0.511 1117 Q N -0.217 119.543 119.800 -0.066 0.000 2.478 1117 Q HA -0.177 4.163 4.340 0.000 0.000 0.286 1117 Q C -0.761 175.213 176.000 -0.044 0.000 1.299 1117 Q CA 1.088 56.863 55.803 -0.046 0.000 0.826 1117 Q CB -1.768 26.943 28.738 -0.045 0.000 1.199 1117 Q HN 0.411 nan 8.270 nan 0.000 0.451 1118 K N -0.608 119.777 120.400 -0.024 0.000 2.482 1118 K HA 0.580 4.901 4.320 0.000 0.000 0.257 1118 K C -0.246 176.351 176.600 -0.004 0.000 0.969 1118 K CA -0.588 55.667 56.287 -0.052 0.000 0.842 1118 K CB 1.959 34.365 32.500 -0.158 0.000 1.359 1118 K HN 0.034 nan 8.250 nan 0.000 0.441 1119 S N 0.870 116.542 115.700 -0.047 0.000 2.580 1119 S HA 0.163 4.633 4.470 0.000 0.000 0.274 1119 S C 1.216 175.806 174.600 -0.016 0.000 1.329 1119 S CA -0.572 57.617 58.200 -0.018 0.000 1.036 1119 S CB 0.431 63.609 63.200 -0.036 0.000 0.919 1119 S HN 0.642 nan 8.310 nan 0.000 0.515 1120 L N 3.410 124.643 121.223 0.017 0.000 2.187 1120 L HA -0.115 4.225 4.340 0.000 0.000 0.213 1120 L C 2.514 179.135 176.870 -0.414 0.000 1.100 1120 L CA 1.938 56.763 54.840 -0.025 0.000 0.765 1120 L CB -0.898 41.132 42.059 -0.050 0.000 0.904 1120 L HN 0.989 nan 8.230 nan 0.000 0.437 1121 T N -3.995 110.366 114.554 -0.321 0.000 2.929 1121 T HA -0.214 4.136 4.350 0.000 0.000 0.271 1121 T C 1.346 175.884 174.700 -0.271 0.000 1.085 1121 T CA 1.025 62.938 62.100 -0.311 0.000 1.125 1121 T CB -0.356 68.456 68.868 -0.093 0.000 0.874 1121 T HN 0.440 nan 8.240 nan 0.000 0.494 1122 E N -0.003 120.006 120.200 -0.319 0.000 2.516 1122 E HA 0.091 4.441 4.350 0.000 0.000 0.199 1122 E C 0.322 176.575 176.600 -0.579 0.000 1.069 1122 E CA 0.357 56.503 56.400 -0.425 0.000 0.876 1122 E CB -0.160 29.233 29.700 -0.511 0.000 0.843 1122 E HN 0.630 nan 8.360 nan 0.000 0.530 1123 F N -1.614 118.261 119.950 -0.124 0.000 2.706 1123 F HA 0.230 4.757 4.527 0.000 0.000 0.313 1123 F C 0.819 176.759 175.800 0.233 0.000 1.096 1123 F CA -0.200 57.842 58.000 0.069 0.000 1.219 1123 F CB 0.483 39.603 39.000 0.201 0.000 1.051 1123 F HN -0.021 nan 8.300 nan 0.000 0.568 1124 F N 0.227 120.256 119.950 0.132 0.000 2.668 1124 F HA 0.426 4.953 4.527 0.000 0.000 0.297 1124 F C 1.516 177.288 175.800 -0.047 0.000 1.124 1124 F CA -0.129 57.858 58.000 -0.023 0.000 1.353 1124 F CB -0.327 38.576 39.000 -0.162 0.000 0.992 1124 F HN 0.093 nan 8.300 nan 0.000 0.524 1125 G N 1.676 110.575 108.800 0.164 0.000 2.569 1125 G HA2 -0.285 3.675 3.960 0.000 0.000 0.259 1125 G HA3 -0.285 3.675 3.960 0.000 0.000 0.259 1125 G C -2.663 172.269 174.900 0.053 0.000 1.263 1125 G CA -1.191 43.961 45.100 0.086 0.000 0.928 1125 G HN 0.122 nan 8.290 nan 0.000 0.572 1126 P HA 0.395 nan 4.420 nan 0.000 0.264 1126 P C 0.153 177.471 177.300 0.031 0.000 1.193 1126 P CA 1.112 64.228 63.100 0.027 0.000 0.763 1126 P CB 0.800 32.516 31.700 0.028 0.000 0.810 1127 T N 0.642 115.210 114.554 0.023 0.000 2.916 1127 T HA 0.574 4.925 4.350 0.000 0.000 0.305 1127 T C -0.309 174.403 174.700 0.020 0.000 1.119 1127 T CA -1.233 60.882 62.100 0.026 0.000 1.008 1127 T CB 1.635 70.525 68.868 0.037 0.000 1.129 1127 T HN 0.133 nan 8.240 nan 0.000 0.480 1128 R N 0.426 120.940 120.500 0.022 0.000 2.528 1128 R HA 0.521 4.861 4.340 0.000 0.000 0.271 1128 R C 1.278 177.589 176.300 0.019 0.000 1.056 1128 R CA -1.043 55.069 56.100 0.020 0.000 1.117 1128 R CB 0.736 31.050 30.300 0.025 0.000 1.085 1128 R HN 0.498 nan 8.270 nan 0.000 0.530 1129 R N 1.041 121.551 120.500 0.016 0.000 2.140 1129 R HA 0.105 4.446 4.340 0.000 0.000 0.213 1129 R C 0.021 176.335 176.300 0.022 0.000 1.059 1129 R CA 1.105 57.216 56.100 0.018 0.000 1.000 1129 R CB 0.218 30.526 30.300 0.013 0.000 0.910 1129 R HN 0.457 nan 8.270 nan 0.000 0.455 1130 K N 0.877 121.287 120.400 0.017 0.000 2.498 1130 K HA 0.495 4.815 4.320 0.000 0.000 0.254 1130 K C -0.619 175.985 176.600 0.008 0.000 0.933 1130 K CA -0.560 55.734 56.287 0.013 0.000 0.806 1130 K CB 2.911 35.415 32.500 0.007 0.000 1.301 1130 K HN -0.038 nan 8.250 nan 0.000 0.432 1131 I N -1.246 119.326 120.570 0.002 0.000 2.769 1131 I HA 0.588 4.758 4.170 0.000 0.000 0.298 1131 I C -2.852 173.254 176.117 -0.018 0.000 1.128 1131 I CA -2.729 58.572 61.300 0.001 0.000 1.031 1131 I CB 2.593 40.600 38.000 0.012 0.000 1.235 1131 I HN 0.324 nan 8.210 nan 0.000 0.423 1132 P HA 0.271 nan 4.420 nan 0.000 0.282 1132 P C -0.640 176.634 177.300 -0.042 0.000 1.249 1132 P CA -0.200 62.868 63.100 -0.054 0.000 0.806 1132 P CB 1.981 33.648 31.700 -0.054 0.000 0.984 1133 V N -0.203 119.687 119.914 -0.041 0.000 3.046 1133 V HA 0.934 5.054 4.120 0.000 0.000 0.316 1133 V C 0.231 176.353 176.094 0.047 0.000 1.104 1133 V CA -0.855 61.446 62.300 0.002 0.000 1.006 1133 V CB 1.468 33.309 31.823 0.030 0.000 1.058 1133 V HN 0.675 nan 8.190 nan 0.000 0.440 1134 G N 0.308 109.109 108.800 0.001 0.000 2.511 1134 G HA2 0.717 4.678 3.960 0.000 0.000 0.316 1134 G HA3 0.717 4.678 3.960 0.000 0.000 0.316 1134 G C -1.125 173.763 174.900 -0.020 0.000 1.210 1134 G CA -0.773 44.304 45.100 -0.039 0.000 0.969 1134 G HN 1.053 nan 8.290 nan 0.000 0.492 1135 I N -0.540 119.929 120.570 -0.168 0.000 2.608 1135 I HA 0.558 4.728 4.170 0.000 0.000 0.295 1135 I C -0.376 175.623 176.117 -0.197 0.000 1.049 1135 I CA -0.615 60.496 61.300 -0.316 0.000 1.063 1135 I CB 2.157 39.715 38.000 -0.738 0.000 1.248 1135 I HN 0.417 nan 8.210 nan 0.000 0.424 1136 S N 6.983 122.597 115.700 -0.143 0.000 2.549 1136 S HA 0.727 5.197 4.470 0.000 0.000 0.297 1136 S C -0.810 173.745 174.600 -0.075 0.000 1.115 1136 S CA -0.621 57.539 58.200 -0.067 0.000 1.059 1136 S CB 1.552 64.755 63.200 0.006 0.000 1.046 1136 S HN 0.430 nan 8.310 nan 0.000 0.506 1137 L N 1.944 123.144 121.223 -0.039 0.000 2.476 1137 L HA 0.528 4.868 4.340 0.000 0.000 0.269 1137 L C 0.741 177.621 176.870 0.017 0.000 0.965 1137 L CA -0.845 53.978 54.840 -0.029 0.000 0.845 1137 L CB 1.754 43.784 42.059 -0.049 0.000 1.259 1137 L HN 0.809 nan 8.230 nan 0.000 0.403 1138 G N 2.663 111.475 108.800 0.020 0.000 2.611 1138 G HA2 0.423 4.383 3.960 0.000 0.000 0.273 1138 G HA3 0.423 4.383 3.960 0.000 0.000 0.273 1138 G C 0.101 175.022 174.900 0.036 0.000 1.305 1138 G CA -0.674 44.444 45.100 0.030 0.000 1.010 1138 G HN 0.477 nan 8.290 nan 0.000 0.509 1139 I N 0.204 120.771 120.570 -0.006 0.000 2.648 1139 I HA 0.055 4.225 4.170 0.000 0.000 0.284 1139 I C 0.204 176.220 176.117 -0.168 0.000 1.153 1139 I CA 0.608 61.838 61.300 -0.117 0.000 1.426 1139 I CB 0.739 38.572 38.000 -0.279 0.000 1.381 1139 I HN 0.172 nan 8.210 nan 0.000 0.571 1140 Q N 5.929 125.623 119.800 -0.177 0.000 2.695 1140 Q HA 0.149 4.489 4.340 0.000 0.000 0.246 1140 Q C 0.271 176.224 176.000 -0.078 0.000 0.961 1140 Q CA -0.345 55.412 55.803 -0.077 0.000 0.708 1140 Q CB 1.578 30.343 28.738 0.045 0.000 1.282 1140 Q HN 0.579 nan 8.270 nan 0.000 0.482 1141 E N 0.523 120.608 120.200 -0.192 0.000 2.209 1141 E HA -0.149 4.201 4.350 0.000 0.000 0.196 1141 E C 0.047 176.668 176.600 0.034 0.000 0.993 1141 E CA 0.852 57.198 56.400 -0.090 0.000 0.819 1141 E CB 0.321 29.953 29.700 -0.113 0.000 0.745 1141 E HN 0.449 nan 8.360 nan 0.000 0.477 1142 D N 1.056 121.466 120.400 0.017 0.000 2.508 1142 D HA -0.012 4.628 4.640 0.000 0.000 0.224 1142 D C 1.277 177.610 176.300 0.054 0.000 1.171 1142 D CA -0.138 53.880 54.000 0.030 0.000 1.006 1142 D CB 0.031 40.836 40.800 0.008 0.000 1.073 1142 D HN -0.170 nan 8.370 nan 0.000 0.513 1143 L N 4.058 125.328 121.223 0.080 0.000 1.997 1143 L HA -0.147 4.193 4.340 0.000 0.000 0.216 1143 L C -0.434 176.463 176.870 0.046 0.000 1.074 1143 L CA 1.922 56.810 54.840 0.080 0.000 0.763 1143 L CB -2.316 39.790 42.059 0.079 0.000 0.890 1143 L HN 0.399 nan 8.230 nan 0.000 0.434 1144 P HA -0.241 nan 4.420 nan 0.000 0.217 1144 P C 1.882 179.183 177.300 0.003 0.000 1.158 1144 P CA 1.581 64.687 63.100 0.010 0.000 0.887 1144 P CB -0.031 31.675 31.700 0.010 0.000 0.792 1145 Q N -1.118 118.687 119.800 0.009 0.000 2.123 1145 Q HA -0.158 4.183 4.340 0.000 0.000 0.199 1145 Q C 2.030 178.031 176.000 0.001 0.000 0.966 1145 Q CA 0.905 56.709 55.803 0.002 0.000 0.845 1145 Q CB -0.650 28.088 28.738 0.000 0.000 0.907 1145 Q HN 0.063 nan 8.270 nan 0.000 0.439 1146 L N 0.895 122.128 121.223 0.017 0.000 1.990 1146 L HA -0.216 4.124 4.340 0.000 0.000 0.213 1146 L C 2.159 179.028 176.870 -0.002 0.000 1.072 1146 L CA 1.732 56.583 54.840 0.017 0.000 0.755 1146 L CB -0.756 41.338 42.059 0.058 0.000 0.889 1146 L HN 0.384 nan 8.230 nan 0.000 0.432 1147 L N -0.656 120.573 121.223 0.010 0.000 2.127 1147 L HA -0.290 4.050 4.340 0.000 0.000 0.211 1147 L C 2.616 179.494 176.870 0.013 0.000 1.089 1147 L CA 1.790 56.639 54.840 0.016 0.000 0.757 1147 L CB -0.317 41.716 42.059 -0.044 0.000 0.899 1147 L HN 0.434 nan 8.230 nan 0.000 0.434 1148 K N -0.640 119.757 120.400 -0.005 0.000 2.103 1148 K HA -0.187 4.134 4.320 0.000 0.000 0.204 1148 K C 2.027 178.618 176.600 -0.015 0.000 1.052 1148 K CA 1.235 57.521 56.287 -0.001 0.000 0.945 1148 K CB 0.052 32.549 32.500 -0.006 0.000 0.722 1148 K HN 0.461 nan 8.250 nan 0.000 0.443 1149 Q N -0.080 119.697 119.800 -0.037 0.000 2.123 1149 Q HA -0.094 4.246 4.340 0.000 0.000 0.199 1149 Q C 2.042 177.974 176.000 -0.113 0.000 0.966 1149 Q CA 1.229 56.992 55.803 -0.067 0.000 0.845 1149 Q CB 0.170 28.866 28.738 -0.071 0.000 0.907 1149 Q HN 0.126 nan 8.270 nan 0.000 0.439 1150 V N 1.190 121.013 119.914 -0.150 0.000 2.427 1150 V HA -0.260 3.860 4.120 0.000 0.000 0.248 1150 V C 2.064 177.956 176.094 -0.336 0.000 1.051 1150 V CA 1.734 63.845 62.300 -0.315 0.000 1.048 1150 V CB -0.468 31.095 31.823 -0.434 0.000 0.666 1150 V HN 0.366 nan 8.190 nan 0.000 0.456 1151 Q N -0.792 118.956 119.800 -0.087 0.000 2.167 1151 Q HA -0.184 4.156 4.340 0.000 0.000 0.202 1151 Q C 2.225 178.258 176.000 0.054 0.000 0.970 1151 Q CA 1.448 57.328 55.803 0.130 0.000 0.855 1151 Q CB -0.203 28.652 28.738 0.195 0.000 0.911 1151 Q HN 0.543 nan 8.270 nan 0.000 0.438 1152 L N 0.535 121.758 121.223 0.000 0.000 2.005 1152 L HA -0.070 4.270 4.340 0.000 0.000 0.207 1152 L C 2.177 179.062 176.870 0.025 0.000 1.072 1152 L CA 1.996 56.842 54.840 0.010 0.000 0.744 1152 L CB -0.834 41.218 42.059 -0.013 0.000 0.895 1152 L HN 0.095 nan 8.230 nan 0.000 0.433 1153 A N -0.774 122.027 122.820 -0.031 0.000 1.873 1153 A HA -0.206 4.114 4.320 0.000 0.000 0.218 1153 A C 2.270 179.934 177.584 0.134 0.000 1.193 1153 A CA 2.432 54.485 52.037 0.027 0.000 0.629 1153 A CB -1.335 17.564 19.000 -0.168 0.000 0.826 1153 A HN 0.326 nan 8.150 nan 0.000 0.447 1154 V N 0.256 120.178 119.914 0.013 0.000 2.332 1154 V HA -0.305 3.815 4.120 0.000 0.000 0.248 1154 V C 2.399 178.547 176.094 0.091 0.000 1.055 1154 V CA 2.404 64.738 62.300 0.057 0.000 1.038 1154 V CB -0.954 30.927 31.823 0.096 0.000 0.651 1154 V HN 0.663 nan 8.190 nan 0.000 0.450 1155 E N -0.183 120.071 120.200 0.090 0.000 2.150 1155 E HA -0.199 4.151 4.350 0.000 0.000 0.193 1155 E C 2.032 178.666 176.600 0.056 0.000 0.985 1155 E CA 0.884 57.328 56.400 0.073 0.000 0.814 1155 E CB -0.134 29.605 29.700 0.066 0.000 0.752 1155 E HN 0.569 nan 8.360 nan 0.000 0.466 1156 K N -0.628 119.824 120.400 0.086 0.000 2.487 1156 K HA 0.041 4.361 4.320 0.000 0.000 0.192 1156 K C 1.044 177.611 176.600 -0.056 0.000 1.027 1156 K CA 0.483 56.809 56.287 0.066 0.000 1.054 1156 K CB 0.653 33.276 32.500 0.204 0.000 0.824 1156 K HN 0.255 nan 8.250 nan 0.000 0.510 1157 G N 0.681 109.468 108.800 -0.022 0.000 2.194 1157 G HA2 -0.273 3.688 3.960 0.000 0.000 0.236 1157 G HA3 -0.273 3.688 3.960 0.000 0.000 0.236 1157 G C -0.194 174.621 174.900 -0.142 0.000 0.987 1157 G CA -0.366 44.672 45.100 -0.103 0.000 0.635 1157 G HN 0.236 nan 8.290 nan 0.000 0.520 1158 Y N 1.502 121.768 120.300 -0.057 0.000 2.717 1158 Y HA 0.288 4.838 4.550 0.000 0.000 0.330 1158 Y C 1.861 177.711 175.900 -0.084 0.000 1.217 1158 Y CA 1.147 59.199 58.100 -0.081 0.000 1.506 1158 Y CB 0.515 38.914 38.460 -0.101 0.000 1.268 1158 Y HN 0.298 nan 8.280 nan 0.000 0.561 1159 Q N 2.669 122.483 119.800 0.024 0.000 2.246 1159 Q HA 0.139 4.479 4.340 0.000 0.000 0.202 1159 Q C -0.210 175.758 176.000 -0.053 0.000 0.883 1159 Q CA -0.141 55.652 55.803 -0.016 0.000 0.952 1159 Q CB 0.378 29.094 28.738 -0.036 0.000 1.078 1159 Q HN 0.560 nan 8.270 nan 0.000 0.493 1160 R N -1.708 118.749 120.500 -0.072 0.000 2.644 1160 R HA 0.470 4.810 4.340 0.000 0.000 0.257 1160 R C -2.126 174.090 176.300 -0.140 0.000 1.082 1160 R CA -0.537 55.474 56.100 -0.148 0.000 0.927 1160 R CB 0.784 30.843 30.300 -0.403 0.000 1.258 1160 R HN -0.135 nan 8.270 nan 0.000 0.459 1161 V N 2.871 122.713 119.914 -0.120 0.000 2.735 1161 V HA 0.600 4.720 4.120 0.000 0.000 0.310 1161 V C -0.738 175.303 176.094 -0.089 0.000 1.061 1161 V CA -0.803 61.418 62.300 -0.132 0.000 0.913 1161 V CB 2.051 33.782 31.823 -0.152 0.000 1.005 1161 V HN 0.785 nan 8.190 nan 0.000 0.428 1162 K N 4.606 124.955 120.400 -0.086 0.000 2.358 1162 K HA 0.673 4.993 4.320 0.000 0.000 0.260 1162 K C -1.643 174.940 176.600 -0.028 0.000 0.956 1162 K CA -0.573 55.688 56.287 -0.043 0.000 0.834 1162 K CB 1.285 33.770 32.500 -0.025 0.000 1.102 1162 K HN 0.643 nan 8.250 nan 0.000 0.431 1163 L N 4.250 125.464 121.223 -0.014 0.000 2.296 1163 L HA 0.411 4.752 4.340 0.000 0.000 0.286 1163 L C 0.054 176.956 176.870 0.053 0.000 1.023 1163 L CA -0.896 53.951 54.840 0.011 0.000 0.812 1163 L CB 1.602 43.652 42.059 -0.015 0.000 1.223 1163 L HN 0.572 nan 8.230 nan 0.000 0.421 1164 K N 3.694 124.148 120.400 0.091 0.000 2.368 1164 K HA 0.383 4.703 4.320 0.000 0.000 0.282 1164 K C -0.815 175.896 176.600 0.186 0.000 1.035 1164 K CA -0.270 56.088 56.287 0.118 0.000 0.973 1164 K CB 0.646 33.205 32.500 0.098 0.000 0.957 1164 K HN 0.391 nan 8.250 nan 0.000 0.474 1165 I N 3.734 124.414 120.570 0.183 0.000 2.785 1165 I HA 0.474 4.644 4.170 0.000 0.000 0.302 1165 I C -0.280 175.986 176.117 0.247 0.000 1.069 1165 I CA -0.743 60.702 61.300 0.242 0.000 1.045 1165 I CB 1.926 40.033 38.000 0.179 0.000 1.236 1165 I HN 0.771 nan 8.210 nan 0.000 0.429 1166 R N 4.531 125.172 120.500 0.236 0.000 2.740 1166 R HA 0.428 4.768 4.340 0.000 0.000 0.273 1166 R C -2.185 174.084 176.300 -0.051 0.000 0.998 1166 R CA -1.229 54.864 56.100 -0.012 0.000 0.900 1166 R CB 2.493 32.806 30.300 0.021 0.000 1.223 1166 R HN 0.148 nan 8.270 nan 0.000 0.466 1167 P HA -0.209 nan 4.420 nan 0.000 0.222 1167 P C 0.583 177.933 177.300 0.082 0.000 1.157 1167 P CA 2.136 65.134 63.100 -0.169 0.000 0.905 1167 P CB 0.151 31.708 31.700 -0.238 0.000 0.792 1168 G N -4.038 104.801 108.800 0.066 0.000 3.523 1168 G HA2 0.072 4.032 3.960 0.000 0.000 0.270 1168 G HA3 0.072 4.032 3.960 0.000 0.000 0.270 1168 G C -0.661 174.354 174.900 0.192 0.000 1.134 1168 G CA 0.152 45.315 45.100 0.105 0.000 0.825 1168 G HN 0.233 nan 8.290 nan 0.000 0.534 1169 Y N 1.390 121.711 120.300 0.036 0.000 2.489 1169 Y HA 0.333 4.883 4.550 0.000 0.000 0.339 1169 Y C -0.426 175.508 175.900 0.058 0.000 1.135 1169 Y CA -1.255 56.864 58.100 0.031 0.000 1.321 1169 Y CB 0.633 39.099 38.460 0.011 0.000 1.098 1169 Y HN 0.275 nan 8.280 nan 0.000 0.590 1170 D N 0.470 120.763 120.400 -0.179 0.000 2.757 1170 D HA -0.026 4.614 4.640 0.000 0.000 0.142 1170 D C 1.472 177.615 176.300 -0.261 0.000 1.491 1170 D CA 0.917 54.806 54.000 -0.184 0.000 1.531 1170 D CB -0.554 40.257 40.800 0.020 0.000 1.709 1170 D HN 0.163 nan 8.370 nan 0.000 0.246 1171 V N 0.031 119.842 119.914 -0.172 0.000 2.332 1171 V HA -0.242 3.878 4.120 0.000 0.000 0.248 1171 V C 2.171 178.101 176.094 -0.274 0.000 1.055 1171 V CA 2.510 64.669 62.300 -0.234 0.000 1.038 1171 V CB -0.988 30.802 31.823 -0.055 0.000 0.651 1171 V HN 0.420 nan 8.190 nan 0.000 0.450 1172 E N 2.111 122.196 120.200 -0.192 0.000 2.021 1172 E HA -0.202 4.148 4.350 0.000 0.000 0.200 1172 E C 0.329 176.807 176.600 -0.202 0.000 1.015 1172 E CA 2.333 58.642 56.400 -0.151 0.000 0.824 1172 E CB -1.112 28.534 29.700 -0.089 0.000 0.762 1172 E HN 0.608 nan 8.360 nan 0.000 0.454 1173 P HA -0.095 nan 4.420 nan 0.000 0.219 1173 P C 1.725 178.889 177.300 -0.228 0.000 1.150 1173 P CA 0.984 63.917 63.100 -0.278 0.000 0.814 1173 P CB 0.022 31.420 31.700 -0.504 0.000 0.787 1174 V N 1.319 121.037 119.914 -0.326 0.000 2.261 1174 V HA -0.217 3.903 4.120 0.000 0.000 0.246 1174 V C 2.934 178.803 176.094 -0.374 0.000 1.047 1174 V CA 2.327 64.420 62.300 -0.346 0.000 1.015 1174 V CB -1.736 29.798 31.823 -0.481 0.000 0.642 1174 V HN 0.096 nan 8.190 nan 0.000 0.446 1175 A N -0.207 122.294 122.820 -0.533 0.000 1.940 1175 A HA -0.233 4.087 4.320 0.000 0.000 0.219 1175 A C 2.172 179.744 177.584 -0.020 0.000 1.176 1175 A CA 2.228 54.106 52.037 -0.266 0.000 0.631 1175 A CB -0.624 18.314 19.000 -0.103 0.000 0.814 1175 A HN 0.460 nan 8.150 nan 0.000 0.446 1176 L N -0.190 121.021 121.223 -0.020 0.000 2.046 1176 L HA -0.079 4.262 4.340 0.000 0.000 0.208 1176 L C 2.172 179.170 176.870 0.213 0.000 1.077 1176 L CA 1.755 56.657 54.840 0.104 0.000 0.747 1176 L CB -0.358 41.762 42.059 0.102 0.000 0.896 1176 L HN 0.445 nan 8.230 nan 0.000 0.432 1177 I N -1.090 119.563 120.570 0.138 0.000 2.500 1177 I HA -0.162 4.009 4.170 0.000 0.000 0.252 1177 I C 2.372 178.643 176.117 0.258 0.000 1.142 1177 I CA 0.588 62.024 61.300 0.227 0.000 1.451 1177 I CB -0.231 37.816 38.000 0.077 0.000 1.093 1177 I HN 0.222 nan 8.210 nan 0.000 0.430 1178 R N 1.131 121.723 120.500 0.153 0.000 2.235 1178 R HA -0.121 4.219 4.340 0.000 0.000 0.213 1178 R C 2.047 178.422 176.300 0.125 0.000 1.059 1178 R CA 1.192 57.398 56.100 0.176 0.000 0.997 1178 R CB -0.379 30.075 30.300 0.256 0.000 0.884 1178 R HN 0.411 nan 8.270 nan 0.000 0.462 1179 Q N -1.354 118.481 119.800 0.058 0.000 2.250 1179 Q HA -0.072 4.268 4.340 0.000 0.000 0.200 1179 Q C 0.782 176.635 176.000 -0.244 0.000 0.941 1179 Q CA 0.792 56.529 55.803 -0.109 0.000 0.872 1179 Q CB 0.208 28.820 28.738 -0.211 0.000 0.965 1179 Q HN 0.538 nan 8.270 nan 0.000 0.480 1180 H N -1.709 117.378 119.070 0.029 0.000 2.592 1180 H HA 0.117 4.673 4.556 0.000 0.000 0.265 1180 H C -0.371 174.623 175.328 -0.556 0.000 0.955 1180 H CA 0.462 56.400 56.048 -0.184 0.000 1.175 1180 H CB 0.605 30.329 29.762 -0.064 0.000 1.433 1180 H HN 0.114 nan 8.280 nan 0.000 0.537 1181 F N 1.126 121.138 119.950 0.103 0.000 2.766 1181 F HA 0.241 4.768 4.527 0.000 0.000 0.355 1181 F C -1.923 173.906 175.800 0.048 0.000 1.434 1181 F CA -1.736 56.305 58.000 0.068 0.000 1.139 1181 F CB 1.384 40.423 39.000 0.064 0.000 1.816 1181 F HN -0.109 nan 8.300 nan 0.000 0.600 1182 P HA -0.097 nan 4.420 nan 0.000 0.231 1182 P C 0.272 177.626 177.300 0.090 0.000 1.158 1182 P CA 1.314 64.467 63.100 0.090 0.000 0.763 1182 P CB 0.472 32.192 31.700 0.033 0.000 0.805 1183 N N -1.008 117.758 118.700 0.111 0.000 2.210 1183 N HA 0.072 4.812 4.740 0.000 0.000 0.203 1183 N C 0.523 176.095 175.510 0.103 0.000 1.175 1183 N CA -0.263 52.841 53.050 0.090 0.000 0.894 1183 N CB 0.209 38.739 38.487 0.071 0.000 1.041 1183 N HN 0.149 nan 8.380 nan 0.000 0.506 1184 L N 3.470 124.781 121.223 0.146 0.000 2.455 1184 L HA 0.277 4.617 4.340 0.000 0.000 0.272 1184 L C -2.365 174.546 176.870 0.069 0.000 1.174 1184 L CA -1.210 53.694 54.840 0.106 0.000 0.869 1184 L CB 0.178 42.297 42.059 0.101 0.000 1.130 1184 L HN -0.137 nan 8.230 nan 0.000 0.474 1185 P HA 0.230 nan 4.420 nan 0.000 0.271 1185 P C -1.428 175.910 177.300 0.063 0.000 1.233 1185 P CA -0.044 63.103 63.100 0.077 0.000 0.764 1185 P CB 0.807 32.561 31.700 0.090 0.000 0.825 1186 L N 5.232 126.494 121.223 0.065 0.000 2.410 1186 L HA 0.686 5.026 4.340 0.000 0.000 0.270 1186 L C -0.724 176.156 176.870 0.017 0.000 0.983 1186 L CA -0.796 54.062 54.840 0.029 0.000 0.822 1186 L CB 1.658 43.718 42.059 0.002 0.000 1.285 1186 L HN 0.364 nan 8.230 nan 0.000 0.409 1187 M N 3.929 123.535 119.600 0.011 0.000 2.761 1187 M HA 0.879 5.359 4.480 0.000 0.000 0.305 1187 M C -1.690 174.579 176.300 -0.050 0.000 1.235 1187 M CA -0.812 54.455 55.300 -0.055 0.000 0.850 1187 M CB 2.224 34.766 32.600 -0.096 0.000 1.744 1187 M HN 0.283 nan 8.290 nan 0.000 0.480 1188 V N 1.072 120.950 119.914 -0.060 0.000 2.656 1188 V HA 0.398 4.518 4.120 0.000 0.000 0.307 1188 V C -1.487 174.610 176.094 0.005 0.000 1.051 1188 V CA -0.385 61.897 62.300 -0.029 0.000 0.893 1188 V CB 2.016 33.810 31.823 -0.048 0.000 0.999 1188 V HN 0.923 nan 8.190 nan 0.000 0.426 1189 D N 3.588 124.017 120.400 0.049 0.000 2.427 1189 D HA 0.515 5.155 4.640 0.000 0.000 0.226 1189 D C 0.614 176.983 176.300 0.115 0.000 1.076 1189 D CA -0.083 53.970 54.000 0.088 0.000 0.849 1189 D CB 2.011 42.875 40.800 0.107 0.000 1.052 1189 D HN 0.572 nan 8.370 nan 0.000 0.515 1190 A N 4.129 127.024 122.820 0.126 0.000 2.169 1190 A HA -0.021 4.300 4.320 0.000 0.000 0.212 1190 A C 1.247 178.951 177.584 0.201 0.000 1.153 1190 A CA 0.030 52.204 52.037 0.228 0.000 0.756 1190 A CB -0.372 18.764 19.000 0.227 0.000 0.813 1190 A HN 0.778 nan 8.150 nan 0.000 0.471 1191 N N -0.236 118.551 118.700 0.145 0.000 2.708 1191 N HA -0.197 4.544 4.740 0.000 0.000 0.251 1191 N C 0.022 175.607 175.510 0.124 0.000 1.017 1191 N CA 1.071 54.194 53.050 0.121 0.000 0.742 1191 N CB -1.120 37.421 38.487 0.090 0.000 0.943 1191 N HN 0.443 nan 8.380 nan 0.000 0.539 1192 S N -3.379 112.419 115.700 0.163 0.000 3.587 1192 S HA -0.275 4.195 4.470 0.000 0.000 0.337 1192 S C 1.112 175.801 174.600 0.149 0.000 1.119 1192 S CA 0.892 59.200 58.200 0.179 0.000 0.976 1192 S CB -1.351 61.931 63.200 0.138 0.000 0.922 1192 S HN 0.798 nan 8.310 nan 0.000 0.503 1193 A N -1.379 121.515 122.820 0.124 0.000 2.218 1193 A HA 0.435 4.755 4.320 0.000 0.000 0.209 1193 A C 0.397 177.887 177.584 -0.156 0.000 1.168 1193 A CA 0.500 52.505 52.037 -0.054 0.000 0.804 1193 A CB 0.066 18.961 19.000 -0.175 0.000 0.834 1193 A HN 0.591 nan 8.150 nan 0.000 0.482 1194 Y N -0.510 119.889 120.300 0.165 0.000 2.568 1194 Y HA 0.540 5.090 4.550 0.000 0.000 0.327 1194 Y C 0.909 177.001 175.900 0.319 0.000 1.163 1194 Y CA -0.087 58.157 58.100 0.240 0.000 1.219 1194 Y CB 1.450 40.075 38.460 0.275 0.000 1.308 1194 Y HN 0.091 nan 8.280 nan 0.000 0.503 1195 T N -1.858 112.913 114.554 0.361 0.000 2.916 1195 T HA 0.268 4.618 4.350 0.000 0.000 0.292 1195 T C 0.251 174.759 174.700 -0.319 0.000 1.055 1195 T CA -0.840 61.215 62.100 -0.075 0.000 1.009 1195 T CB 1.313 70.142 68.868 -0.066 0.000 1.118 1195 T HN 0.547 nan 8.240 nan 0.000 0.497 1196 L N 1.725 122.449 121.223 -0.831 0.000 2.129 1196 L HA 0.082 4.423 4.340 0.000 0.000 0.212 1196 L C 2.657 179.437 176.870 -0.150 0.000 1.087 1196 L CA 2.440 56.891 54.840 -0.649 0.000 0.757 1196 L CB -1.170 40.570 42.059 -0.532 0.000 0.896 1196 L HN 0.964 nan 8.230 nan 0.000 0.434 1197 A N -1.460 121.302 122.820 -0.096 0.000 2.121 1197 A HA -0.147 4.173 4.320 0.000 0.000 0.218 1197 A C 1.585 179.206 177.584 0.061 0.000 1.154 1197 A CA 1.474 53.505 52.037 -0.010 0.000 0.679 1197 A CB -0.574 18.418 19.000 -0.014 0.000 0.795 1197 A HN 0.526 nan 8.150 nan 0.000 0.458 1198 D N -0.343 120.137 120.400 0.133 0.000 2.319 1198 D HA 0.051 4.691 4.640 0.000 0.000 0.230 1198 D C 1.500 177.907 176.300 0.177 0.000 1.094 1198 D CA -0.062 54.061 54.000 0.205 0.000 0.856 1198 D CB 0.204 41.237 40.800 0.389 0.000 0.915 1198 D HN 0.380 nan 8.370 nan 0.000 0.517 1199 L N 2.093 123.405 121.223 0.149 0.000 1.978 1199 L HA -0.161 4.179 4.340 0.000 0.000 0.218 1199 L C -0.923 175.994 176.870 0.078 0.000 1.075 1199 L CA 2.367 57.281 54.840 0.123 0.000 0.767 1199 L CB -1.535 40.582 42.059 0.097 0.000 0.890 1199 L HN -0.047 nan 8.230 nan 0.000 0.434 1200 P HA -0.207 nan 4.420 nan 0.000 0.216 1200 P C 1.487 178.829 177.300 0.069 0.000 1.150 1200 P CA 1.774 64.913 63.100 0.065 0.000 0.843 1200 P CB -0.079 31.657 31.700 0.059 0.000 0.787 1201 Q N -1.313 118.535 119.800 0.080 0.000 2.119 1201 Q HA -0.083 4.257 4.340 0.000 0.000 0.201 1201 Q C 1.954 177.972 176.000 0.030 0.000 0.972 1201 Q CA 0.962 56.815 55.803 0.083 0.000 0.847 1201 Q CB -0.562 28.261 28.738 0.143 0.000 0.903 1201 Q HN 0.182 nan 8.270 nan 0.000 0.433 1202 L N 0.712 121.917 121.223 -0.030 0.000 2.156 1202 L HA -0.142 4.198 4.340 0.000 0.000 0.208 1202 L C 2.154 178.994 176.870 -0.050 0.000 1.095 1202 L CA 1.641 56.404 54.840 -0.129 0.000 0.770 1202 L CB -1.114 40.817 42.059 -0.214 0.000 0.914 1202 L HN 0.360 nan 8.230 nan 0.000 0.439 1203 Q N -0.428 119.374 119.800 0.004 0.000 2.170 1203 Q HA -0.187 4.153 4.340 0.000 0.000 0.203 1203 Q C 2.236 178.297 176.000 0.102 0.000 0.976 1203 Q CA 1.139 56.959 55.803 0.028 0.000 0.858 1203 Q CB -0.088 28.687 28.738 0.061 0.000 0.907 1203 Q HN 0.463 nan 8.270 nan 0.000 0.433 1204 R N 0.214 120.801 120.500 0.144 0.000 2.152 1204 R HA -0.070 4.270 4.340 0.000 0.000 0.232 1204 R C 2.067 178.575 176.300 0.347 0.000 1.117 1204 R CA 0.746 56.997 56.100 0.253 0.000 0.981 1204 R CB -0.130 30.277 30.300 0.179 0.000 0.870 1204 R HN 0.262 nan 8.270 nan 0.000 0.451 1205 L N 0.157 121.491 121.223 0.187 0.000 2.291 1205 L HA -0.101 4.239 4.340 0.000 0.000 0.214 1205 L C 1.480 178.448 176.870 0.163 0.000 1.120 1205 L CA 0.612 55.572 54.840 0.200 0.000 0.799 1205 L CB -0.222 41.838 42.059 0.003 0.000 0.925 1205 L HN 0.055 nan 8.230 nan 0.000 0.446 1206 D N -0.263 120.106 120.400 -0.051 0.000 2.403 1206 D HA -0.147 4.493 4.640 0.000 0.000 0.227 1206 D C 0.723 176.720 176.300 -0.504 0.000 0.995 1206 D CA 0.961 54.781 54.000 -0.300 0.000 0.928 1206 D CB -0.013 40.526 40.800 -0.434 0.000 0.887 1206 D HN 0.439 nan 8.370 nan 0.000 0.529 1207 H N -1.967 117.052 119.070 -0.085 0.000 2.467 1207 H HA 0.234 4.791 4.556 0.000 0.000 0.275 1207 H C -0.437 174.566 175.328 -0.542 0.000 1.131 1207 H CA -0.099 55.771 56.048 -0.298 0.000 0.989 1207 H CB -0.053 29.484 29.762 -0.375 0.000 1.696 1207 H HN 0.094 nan 8.280 nan 0.000 0.574 1208 Y N 0.457 120.767 120.300 0.015 0.000 2.719 1208 Y HA 0.095 4.645 4.550 0.000 0.000 0.251 1208 Y C 0.122 176.015 175.900 -0.012 0.000 1.159 1208 Y CA -0.781 57.325 58.100 0.009 0.000 1.166 1208 Y CB 0.603 39.064 38.460 0.002 0.000 1.219 1208 Y HN 0.051 nan 8.280 nan 0.000 0.551 1209 Q N -0.219 119.612 119.800 0.052 0.000 2.439 1209 Q HA -0.209 4.131 4.340 0.000 0.000 0.325 1209 Q C -0.835 175.178 176.000 0.022 0.000 1.372 1209 Q CA 0.478 56.292 55.803 0.019 0.000 0.909 1209 Q CB -1.709 27.044 28.738 0.024 0.000 1.167 1209 Q HN 0.372 nan 8.270 nan 0.000 0.418 1210 L N -0.124 121.104 121.223 0.008 0.000 2.349 1210 L HA 0.311 4.651 4.340 0.000 0.000 0.275 1210 L C 1.649 178.468 176.870 -0.086 0.000 1.115 1210 L CA 1.125 55.949 54.840 -0.026 0.000 0.820 1210 L CB 1.020 43.059 42.059 -0.034 0.000 1.135 1210 L HN 0.386 nan 8.230 nan 0.000 0.445 1211 A N 5.530 128.278 122.820 -0.120 0.000 1.940 1211 A HA 0.017 4.337 4.320 0.000 0.000 0.219 1211 A C 0.717 178.112 177.584 -0.314 0.000 1.176 1211 A CA 1.925 53.817 52.037 -0.243 0.000 0.631 1211 A CB -0.271 18.505 19.000 -0.373 0.000 0.814 1211 A HN 0.766 nan 8.150 nan 0.000 0.446 1212 M N -3.979 115.457 119.600 -0.273 0.000 2.918 1212 M HA 0.562 5.042 4.480 0.000 0.000 0.272 1212 M C -2.439 173.761 176.300 -0.166 0.000 1.082 1212 M CA -0.810 54.351 55.300 -0.231 0.000 0.799 1212 M CB 0.910 33.329 32.600 -0.301 0.000 1.659 1212 M HN -0.152 nan 8.290 nan 0.000 0.533 1213 I N 1.759 122.250 120.570 -0.131 0.000 2.411 1213 I HA 0.383 4.553 4.170 0.000 0.000 0.284 1213 I C -0.425 175.645 176.117 -0.079 0.000 1.012 1213 I CA -0.025 61.209 61.300 -0.111 0.000 1.119 1213 I CB 1.753 39.663 38.000 -0.151 0.000 1.261 1213 I HN 0.728 nan 8.210 nan 0.000 0.448 1214 E N 5.271 125.459 120.200 -0.021 0.000 2.259 1214 E HA 0.173 4.523 4.350 0.000 0.000 0.281 1214 E C -0.120 176.491 176.600 0.019 0.000 1.037 1214 E CA -0.488 55.930 56.400 0.030 0.000 0.854 1214 E CB 0.545 30.328 29.700 0.139 0.000 1.051 1214 E HN 0.466 nan 8.360 nan 0.000 0.409 1215 Q N 3.741 123.522 119.800 -0.032 0.000 2.413 1215 Q HA -0.177 4.163 4.340 0.000 0.000 0.364 1215 Q C -1.904 174.181 176.000 0.141 0.000 1.359 1215 Q CA 0.597 56.410 55.803 0.016 0.000 1.097 1215 Q CB -0.156 28.600 28.738 0.030 0.000 1.286 1215 Q HN 0.531 nan 8.270 nan 0.000 0.358 1216 P HA -0.187 nan 4.420 nan 0.000 0.217 1216 P C 0.229 177.584 177.300 0.092 0.000 1.150 1216 P CA 1.353 64.397 63.100 -0.093 0.000 0.832 1216 P CB 0.054 31.375 31.700 -0.633 0.000 0.787 1217 F N -0.180 119.857 119.950 0.144 0.000 2.456 1217 F HA 0.571 5.098 4.527 0.000 0.000 0.364 1217 F C 1.400 177.247 175.800 0.079 0.000 1.092 1217 F CA -1.839 56.122 58.000 -0.064 0.000 1.125 1217 F CB -0.171 38.526 39.000 -0.505 0.000 1.543 1217 F HN -0.219 nan 8.300 nan 0.000 0.504 1218 A N 0.324 123.289 122.820 0.241 0.000 2.555 1218 A HA 0.307 4.628 4.320 0.000 0.000 0.233 1218 A C 1.082 178.756 177.584 0.150 0.000 1.060 1218 A CA 0.302 52.429 52.037 0.150 0.000 0.759 1218 A CB -0.326 18.716 19.000 0.070 0.000 0.995 1218 A HN 0.895 nan 8.150 nan 0.000 0.506 1219 A N 1.402 124.261 122.820 0.065 0.000 1.978 1219 A HA -0.136 4.184 4.320 0.000 0.000 0.220 1219 A C 1.363 178.892 177.584 -0.093 0.000 1.170 1219 A CA 1.945 53.973 52.037 -0.014 0.000 0.636 1219 A CB -0.380 18.597 19.000 -0.038 0.000 0.810 1219 A HN 0.917 nan 8.150 nan 0.000 0.448 1220 D N -0.791 119.572 120.400 -0.061 0.000 2.388 1220 D HA 0.110 4.750 4.640 0.000 0.000 0.221 1220 D C -0.293 175.957 176.300 -0.084 0.000 1.133 1220 D CA -0.141 53.802 54.000 -0.095 0.000 0.831 1220 D CB -0.499 40.283 40.800 -0.030 0.000 0.962 1220 D HN 0.420 nan 8.370 nan 0.000 0.502 1221 D N -1.037 119.337 120.400 -0.044 0.000 2.177 1221 D HA 0.301 4.941 4.640 0.000 0.000 0.247 1221 D C -0.226 176.097 176.300 0.039 0.000 1.063 1221 D CA -0.544 53.493 54.000 0.062 0.000 0.867 1221 D CB 0.844 41.717 40.800 0.122 0.000 1.168 1221 D HN -0.140 nan 8.370 nan 0.000 0.445 1222 F N 1.301 121.364 119.950 0.187 0.000 2.577 1222 F HA 0.243 4.770 4.527 0.000 0.000 0.276 1222 F C 1.675 177.573 175.800 0.163 0.000 1.032 1222 F CA -0.247 57.851 58.000 0.163 0.000 1.297 1222 F CB -0.007 39.039 39.000 0.076 0.000 1.061 1222 F HN 0.307 nan 8.300 nan 0.000 0.680 1223 L N 0.017 121.423 121.223 0.304 0.000 2.056 1223 L HA -0.174 4.166 4.340 0.000 0.000 0.207 1223 L C 1.813 178.767 176.870 0.141 0.000 1.078 1223 L CA 1.306 56.255 54.840 0.181 0.000 0.749 1223 L CB -0.520 41.607 42.059 0.114 0.000 0.901 1223 L HN 0.060 nan 8.230 nan 0.000 0.433 1224 D N -1.074 119.382 120.400 0.093 0.000 2.117 1224 D HA -0.173 4.467 4.640 0.000 0.000 0.197 1224 D C 2.176 178.631 176.300 0.257 0.000 0.987 1224 D CA 1.101 55.116 54.000 0.025 0.000 0.829 1224 D CB -0.244 40.401 40.800 -0.260 0.000 0.961 1224 D HN 0.319 nan 8.370 nan 0.000 0.460 1225 H N 0.382 119.674 119.070 0.369 0.000 2.387 1225 H HA -0.016 4.540 4.556 0.000 0.000 0.299 1225 H C 2.015 177.438 175.328 0.157 0.000 1.099 1225 H CA 1.315 57.511 56.048 0.247 0.000 1.315 1225 H CB -0.118 29.713 29.762 0.115 0.000 1.380 1225 H HN 0.104 nan 8.280 nan 0.000 0.513 1226 A N 1.098 124.078 122.820 0.268 0.000 1.898 1226 A HA -0.166 4.154 4.320 0.000 0.000 0.216 1226 A C 2.408 180.072 177.584 0.133 0.000 1.181 1226 A CA 1.190 53.331 52.037 0.173 0.000 0.620 1226 A CB -0.379 18.711 19.000 0.150 0.000 0.819 1226 A HN 0.402 nan 8.150 nan 0.000 0.442 1227 Q N -0.684 119.198 119.800 0.137 0.000 2.050 1227 Q HA -0.143 4.198 4.340 0.000 0.000 0.202 1227 Q C 2.195 178.265 176.000 0.117 0.000 0.980 1227 Q CA 1.393 57.259 55.803 0.104 0.000 0.840 1227 Q CB -0.329 28.458 28.738 0.082 0.000 0.898 1227 Q HN 0.704 nan 8.270 nan 0.000 0.424 1228 L N 0.667 121.999 121.223 0.182 0.000 1.994 1228 L HA -0.270 4.070 4.340 0.000 0.000 0.208 1228 L C 2.574 179.483 176.870 0.064 0.000 1.071 1228 L CA 1.678 56.605 54.840 0.145 0.000 0.745 1228 L CB -0.285 41.864 42.059 0.151 0.000 0.892 1228 L HN 0.294 nan 8.230 nan 0.000 0.431 1229 Q N 0.423 120.264 119.800 0.069 0.000 2.152 1229 Q HA -0.244 4.096 4.340 0.000 0.000 0.206 1229 Q C 2.133 178.146 176.000 0.022 0.000 0.985 1229 Q CA 1.819 57.642 55.803 0.033 0.000 0.863 1229 Q CB -0.155 28.613 28.738 0.049 0.000 0.904 1229 Q HN 0.370 nan 8.270 nan 0.000 0.422 1230 R N -0.112 120.411 120.500 0.037 0.000 2.237 1230 R HA -0.075 4.265 4.340 0.000 0.000 0.219 1230 R C 1.136 177.445 176.300 0.015 0.000 1.080 1230 R CA 1.109 57.224 56.100 0.025 0.000 0.995 1230 R CB 0.074 30.393 30.300 0.033 0.000 0.875 1230 R HN 0.329 nan 8.270 nan 0.000 0.462 1231 E N 0.162 120.372 120.200 0.017 0.000 2.481 1231 E HA 0.161 4.511 4.350 0.000 0.000 0.198 1231 E C 0.351 176.942 176.600 -0.015 0.000 1.027 1231 E CA 0.262 56.667 56.400 0.009 0.000 0.900 1231 E CB 0.578 30.292 29.700 0.023 0.000 0.993 1231 E HN 0.247 nan 8.360 nan 0.000 0.482 1232 L N 0.291 121.497 121.223 -0.029 0.000 2.354 1232 L HA 0.378 4.718 4.340 0.000 0.000 0.269 1232 L C 1.124 177.953 176.870 -0.068 0.000 1.005 1232 L CA -0.644 54.158 54.840 -0.063 0.000 0.819 1232 L CB 2.021 44.035 42.059 -0.076 0.000 1.311 1232 L HN -0.262 nan 8.230 nan 0.000 0.423 1233 K N -0.118 120.224 120.400 -0.097 0.000 2.186 1233 K HA 0.073 4.393 4.320 0.000 0.000 0.202 1233 K C 0.421 176.968 176.600 -0.089 0.000 1.052 1233 K CA 0.486 56.721 56.287 -0.087 0.000 0.965 1233 K CB 0.090 32.528 32.500 -0.103 0.000 0.746 1233 K HN 0.576 nan 8.250 nan 0.000 0.457 1234 T N 2.189 116.680 114.554 -0.106 0.000 2.926 1234 T HA 0.095 4.445 4.350 0.000 0.000 0.307 1234 T C 0.154 174.796 174.700 -0.096 0.000 1.059 1234 T CA -0.096 61.942 62.100 -0.104 0.000 1.122 1234 T CB 0.577 69.379 68.868 -0.110 0.000 0.972 1234 T HN 0.120 nan 8.240 nan 0.000 0.545 1235 R N 1.842 122.278 120.500 -0.106 0.000 2.340 1235 R HA 0.396 4.736 4.340 0.000 0.000 0.300 1235 R C -0.119 176.120 176.300 -0.101 0.000 1.069 1235 R CA -0.309 55.731 56.100 -0.099 0.000 0.984 1235 R CB 0.458 30.687 30.300 -0.118 0.000 1.003 1235 R HN 0.542 nan 8.270 nan 0.000 0.459 1236 I N 2.115 122.638 120.570 -0.078 0.000 2.396 1236 I HA 0.146 4.316 4.170 0.000 0.000 0.292 1236 I C 0.012 176.083 176.117 -0.077 0.000 0.999 1236 I CA -0.538 60.711 61.300 -0.085 0.000 1.310 1236 I CB 1.486 39.448 38.000 -0.062 0.000 1.404 1236 I HN 0.613 nan 8.210 nan 0.000 0.496 1237 C N 7.702 126.957 119.300 -0.075 0.000 2.417 1237 C HA 0.643 5.103 4.460 0.000 0.000 0.324 1237 C C -0.258 174.672 174.990 -0.100 0.000 1.240 1237 C CA -0.573 58.430 59.018 -0.024 0.000 1.632 1237 C CB 0.156 27.963 27.740 0.111 0.000 2.241 1237 C HN 0.657 nan 8.230 nan 0.000 0.499 1238 L N 4.755 125.905 121.223 -0.122 0.000 2.334 1238 L HA 0.538 4.878 4.340 0.000 0.000 0.272 1238 L C 0.214 176.998 176.870 -0.143 0.000 1.020 1238 L CA -0.150 54.565 54.840 -0.210 0.000 0.812 1238 L CB 1.813 43.713 42.059 -0.264 0.000 1.264 1238 L HN 0.792 nan 8.230 nan 0.000 0.439 1239 D N -0.174 120.134 120.400 -0.152 0.000 2.880 1239 D HA -0.017 4.623 4.640 0.000 0.000 0.168 1239 D C 1.320 177.528 176.300 -0.153 0.000 1.452 1239 D CA 0.185 54.116 54.000 -0.115 0.000 1.553 1239 D CB 0.149 40.942 40.800 -0.012 0.000 1.386 1239 D HN 0.463 nan 8.370 nan 0.000 0.208 1240 E N 0.664 120.779 120.200 -0.142 0.000 2.136 1240 E HA -0.183 4.167 4.350 0.000 0.000 0.202 1240 E C 1.652 178.063 176.600 -0.316 0.000 1.019 1240 E CA 1.412 57.643 56.400 -0.281 0.000 0.819 1240 E CB -0.269 29.268 29.700 -0.271 0.000 0.739 1240 E HN 0.229 nan 8.360 nan 0.000 0.458 1241 N N 0.020 118.541 118.700 -0.298 0.000 2.443 1241 N HA -0.085 4.656 4.740 0.000 0.000 0.184 1241 N C -0.388 174.979 175.510 -0.238 0.000 1.037 1241 N CA 0.559 53.401 53.050 -0.347 0.000 0.896 1241 N CB 0.176 38.312 38.487 -0.586 0.000 0.959 1241 N HN 0.090 nan 8.380 nan 0.000 0.442 1242 I N 1.594 122.028 120.570 -0.226 0.000 2.310 1242 I HA 0.195 4.366 4.170 0.000 0.000 0.287 1242 I C 0.880 176.837 176.117 -0.265 0.000 1.073 1242 I CA -0.071 61.128 61.300 -0.170 0.000 1.216 1242 I CB 0.969 38.888 38.000 -0.135 0.000 1.415 1242 I HN -0.132 nan 8.210 nan 0.000 0.480 1243 R N 2.871 123.181 120.500 -0.318 0.000 2.308 1243 R HA 0.206 4.546 4.340 0.000 0.000 0.202 1243 R C 0.520 176.683 176.300 -0.228 0.000 0.898 1243 R CA 0.188 55.975 56.100 -0.522 0.000 1.046 1243 R CB 0.446 30.158 30.300 -0.980 0.000 1.026 1243 R HN 0.727 nan 8.270 nan 0.000 0.512 1244 S N -1.730 113.903 115.700 -0.112 0.000 2.661 1244 S HA 0.186 4.657 4.470 0.000 0.000 0.268 1244 S C 0.500 175.043 174.600 -0.095 0.000 1.162 1244 S CA -0.881 57.298 58.200 -0.035 0.000 0.817 1244 S CB 0.526 63.760 63.200 0.057 0.000 1.141 1244 S HN -0.043 nan 8.310 nan 0.000 0.477 1245 L N 1.369 122.529 121.223 -0.105 0.000 2.046 1245 L HA -0.032 4.308 4.340 0.000 0.000 0.208 1245 L C 2.183 178.872 176.870 -0.302 0.000 1.077 1245 L CA 1.914 56.616 54.840 -0.229 0.000 0.747 1245 L CB -0.906 41.051 42.059 -0.170 0.000 0.896 1245 L HN 0.878 nan 8.230 nan 0.000 0.432 1246 K N -0.235 120.065 120.400 -0.167 0.000 2.103 1246 K HA -0.193 4.127 4.320 0.000 0.000 0.207 1246 K C 1.652 178.155 176.600 -0.163 0.000 1.048 1246 K CA 1.651 57.847 56.287 -0.153 0.000 0.930 1246 K CB -0.150 32.309 32.500 -0.067 0.000 0.716 1246 K HN 0.389 nan 8.250 nan 0.000 0.444 1247 D N 0.554 120.888 120.400 -0.109 0.000 2.178 1247 D HA -0.128 4.512 4.640 0.000 0.000 0.201 1247 D C 1.899 178.164 176.300 -0.058 0.000 0.980 1247 D CA 0.919 54.896 54.000 -0.039 0.000 0.842 1247 D CB -0.244 40.585 40.800 0.047 0.000 0.948 1247 D HN 0.229 nan 8.370 nan 0.000 0.472 1248 C N 0.534 119.730 119.300 -0.173 0.000 2.457 1248 C HA -0.056 4.404 4.460 0.000 0.000 0.278 1248 C C 2.698 177.552 174.990 -0.227 0.000 1.309 1248 C CA 0.242 59.147 59.018 -0.189 0.000 1.735 1248 C CB -0.753 26.768 27.740 -0.365 0.000 1.992 1248 C HN 0.398 nan 8.230 nan 0.000 0.493 1249 Q N 0.141 119.692 119.800 -0.415 0.000 2.084 1249 Q HA -0.155 4.185 4.340 0.000 0.000 0.202 1249 Q C 2.366 178.314 176.000 -0.086 0.000 0.978 1249 Q CA 1.473 57.152 55.803 -0.206 0.000 0.844 1249 Q CB -0.212 28.391 28.738 -0.224 0.000 0.898 1249 Q HN 0.562 nan 8.270 nan 0.000 0.426 1250 V N 0.822 120.627 119.914 -0.182 0.000 2.295 1250 V HA -0.281 3.839 4.120 0.000 0.000 0.246 1250 V C 2.255 178.208 176.094 -0.235 0.000 1.049 1250 V CA 1.804 63.940 62.300 -0.273 0.000 1.024 1250 V CB -0.958 30.552 31.823 -0.523 0.000 0.648 1250 V HN 0.415 nan 8.190 nan 0.000 0.447 1251 A N -0.219 122.521 122.820 -0.134 0.000 1.908 1251 A HA -0.201 4.119 4.320 0.000 0.000 0.218 1251 A C 2.261 179.903 177.584 0.096 0.000 1.181 1251 A CA 1.950 54.052 52.037 0.107 0.000 0.627 1251 A CB -0.614 18.546 19.000 0.266 0.000 0.818 1251 A HN 0.405 nan 8.150 nan 0.000 0.445 1252 L N -0.433 120.856 121.223 0.110 0.000 2.046 1252 L HA -0.121 4.219 4.340 0.000 0.000 0.208 1252 L C 2.713 179.627 176.870 0.074 0.000 1.077 1252 L CA 2.396 57.313 54.840 0.129 0.000 0.747 1252 L CB -1.365 40.844 42.059 0.249 0.000 0.896 1252 L HN 0.420 nan 8.230 nan 0.000 0.432 1253 A N -0.464 122.382 122.820 0.044 0.000 1.972 1253 A HA -0.151 4.169 4.320 0.000 0.000 0.219 1253 A C 2.191 179.780 177.584 0.009 0.000 1.169 1253 A CA 1.370 53.417 52.037 0.017 0.000 0.635 1253 A CB -0.435 18.558 19.000 -0.012 0.000 0.810 1253 A HN 0.517 nan 8.150 nan 0.000 0.446 1254 L N -1.608 119.619 121.223 0.006 0.000 2.446 1254 L HA 0.208 4.548 4.340 0.000 0.000 0.219 1254 L C 1.568 178.475 176.870 0.062 0.000 1.116 1254 L CA 0.508 55.364 54.840 0.028 0.000 0.844 1254 L CB -0.174 41.903 42.059 0.029 0.000 0.970 1254 L HN 0.560 nan 8.230 nan 0.000 0.457 1255 G N -0.156 108.684 108.800 0.067 0.000 2.182 1255 G HA2 -0.275 3.685 3.960 0.000 0.000 0.248 1255 G HA3 -0.275 3.685 3.960 0.000 0.000 0.248 1255 G C 0.844 175.803 174.900 0.099 0.000 1.042 1255 G CA 0.483 45.625 45.100 0.069 0.000 0.775 1255 G HN 0.297 nan 8.290 nan 0.000 0.501 1256 S N -1.297 114.487 115.700 0.140 0.000 2.402 1256 S HA 0.180 4.650 4.470 0.000 0.000 0.229 1256 S C 1.503 176.169 174.600 0.110 0.000 1.021 1256 S CA 1.317 59.629 58.200 0.187 0.000 0.974 1256 S CB -0.173 63.218 63.200 0.317 0.000 0.800 1256 S HN 1.868 nan 8.310 nan 0.000 0.484 1257 C N -0.809 118.536 119.300 0.075 0.000 3.320 1257 C HA 0.700 5.160 4.460 0.000 0.000 0.335 1257 C C -0.188 174.814 174.990 0.021 0.000 1.430 1257 C CA -1.160 57.871 59.018 0.022 0.000 1.271 1257 C CB 1.258 28.989 27.740 -0.015 0.000 1.609 1257 C HN 0.234 nan 8.230 nan 0.000 0.457 1258 R N 0.398 120.895 120.500 -0.005 0.000 2.569 1258 R HA 0.488 4.828 4.340 0.000 0.000 0.422 1258 R C -0.093 176.195 176.300 -0.020 0.000 0.980 1258 R CA 0.298 56.391 56.100 -0.012 0.000 1.164 1258 R CB 1.036 31.318 30.300 -0.030 0.000 1.520 1258 R HN 0.818 nan 8.270 nan 0.000 0.567 1259 S N 0.471 116.168 115.700 -0.005 0.000 2.537 1259 S HA 0.587 5.057 4.470 0.000 0.000 0.271 1259 S C -1.817 172.810 174.600 0.044 0.000 1.148 1259 S CA -0.577 57.636 58.200 0.021 0.000 0.868 1259 S CB 1.301 64.503 63.200 0.003 0.000 1.115 1259 S HN 0.085 nan 8.310 nan 0.000 0.461 1260 I N 3.906 124.508 120.570 0.054 0.000 2.498 1260 I HA 0.430 4.600 4.170 0.000 0.000 0.290 1260 I C -0.331 175.665 176.117 -0.202 0.000 1.032 1260 I CA -0.513 60.766 61.300 -0.035 0.000 1.073 1260 I CB 2.051 40.023 38.000 -0.046 0.000 1.251 1260 I HN 0.624 nan 8.210 nan 0.000 0.426 1261 N N 6.556 125.060 118.700 -0.327 0.000 2.415 1261 N HA 0.204 4.944 4.740 0.000 0.000 0.246 1261 N C -1.322 173.884 175.510 -0.507 0.000 1.078 1261 N CA -0.319 52.252 53.050 -0.797 0.000 0.942 1261 N CB 0.759 38.919 38.487 -0.545 0.000 1.140 1261 N HN 0.500 nan 8.380 nan 0.000 0.501 1262 L N 3.773 124.710 121.223 -0.477 0.000 2.275 1262 L HA 0.471 4.811 4.340 0.000 0.000 0.288 1262 L C -0.541 176.179 176.870 -0.250 0.000 1.046 1262 L CA -0.075 54.616 54.840 -0.248 0.000 0.805 1262 L CB 0.605 42.626 42.059 -0.063 0.000 1.193 1262 L HN 0.400 nan 8.230 nan 0.000 0.426 1263 K N 5.947 126.215 120.400 -0.220 0.000 2.545 1263 K HA 0.356 4.676 4.320 0.000 0.000 0.252 1263 K C 0.807 177.285 176.600 -0.203 0.000 0.948 1263 K CA -0.503 55.666 56.287 -0.196 0.000 0.827 1263 K CB 1.879 34.302 32.500 -0.129 0.000 1.128 1263 K HN 0.604 nan 8.250 nan 0.000 0.429 1264 I N 3.095 123.504 120.570 -0.268 0.000 2.151 1264 I HA -0.253 3.917 4.170 0.000 0.000 0.243 1264 I C -0.927 175.114 176.117 -0.126 0.000 1.080 1264 I CA 1.575 62.708 61.300 -0.278 0.000 1.339 1264 I CB -0.711 37.076 38.000 -0.355 0.000 1.039 1264 I HN 0.480 nan 8.210 nan 0.000 0.409 1265 P HA -0.180 nan 4.420 nan 0.000 0.215 1265 P C 1.565 178.884 177.300 0.032 0.000 1.153 1265 P CA 1.360 64.460 63.100 -0.001 0.000 0.853 1265 P CB -0.164 31.532 31.700 -0.007 0.000 0.788 1266 R N -0.136 120.350 120.500 -0.023 0.000 2.189 1266 R HA -0.043 4.297 4.340 0.000 0.000 0.223 1266 R C 1.300 177.520 176.300 -0.135 0.000 1.092 1266 R CA 1.008 57.067 56.100 -0.068 0.000 0.989 1266 R CB -0.392 29.844 30.300 -0.107 0.000 0.876 1266 R HN 0.074 nan 8.270 nan 0.000 0.457 1267 V N -0.357 119.511 119.914 -0.076 0.000 3.647 1267 V HA 0.166 4.287 4.120 0.000 0.000 0.279 1267 V C 1.102 177.302 176.094 0.177 0.000 1.314 1267 V CA 0.982 63.255 62.300 -0.045 0.000 1.125 1267 V CB 0.738 32.502 31.823 -0.098 0.000 0.907 1267 V HN 0.689 nan 8.190 nan 0.000 0.434 1268 G N -0.529 108.409 108.800 0.230 0.000 2.157 1268 G HA2 0.102 4.063 3.960 0.000 0.000 0.239 1268 G HA3 0.102 4.063 3.960 0.000 0.000 0.239 1268 G C 0.606 175.620 174.900 0.190 0.000 0.982 1268 G CA -0.121 45.145 45.100 0.277 0.000 0.650 1268 G HN 1.644 nan 8.290 nan 0.000 0.527 1269 G N -1.563 107.292 108.800 0.093 0.000 2.354 1269 G HA2 0.267 4.227 3.960 0.000 0.000 0.582 1269 G HA3 0.267 4.227 3.960 0.000 0.000 0.582 1269 G C 0.640 175.497 174.900 -0.072 0.000 1.316 1269 G CA -0.092 45.043 45.100 0.058 0.000 0.995 1269 G HN 0.800 nan 8.290 nan 0.000 0.573 1270 I N -0.201 120.263 120.570 -0.177 0.000 2.179 1270 I HA -0.176 3.994 4.170 0.000 0.000 0.242 1270 I C 2.407 178.386 176.117 -0.230 0.000 1.088 1270 I CA 1.702 62.757 61.300 -0.410 0.000 1.357 1270 I CB -0.275 37.180 38.000 -0.909 0.000 1.051 1270 I HN 0.704 nan 8.210 nan 0.000 0.409 1271 H N 0.695 119.728 119.070 -0.062 0.000 2.319 1271 H HA -0.248 4.308 4.556 0.000 0.000 0.299 1271 H C 2.130 177.515 175.328 0.096 0.000 1.092 1271 H CA 2.217 58.361 56.048 0.159 0.000 1.302 1271 H CB 0.270 30.239 29.762 0.345 0.000 1.373 1271 H HN 0.267 nan 8.280 nan 0.000 0.497 1272 E N 0.439 120.688 120.200 0.082 0.000 2.107 1272 E HA -0.044 4.306 4.350 0.000 0.000 0.191 1272 E C 2.255 178.830 176.600 -0.040 0.000 0.982 1272 E CA 1.103 57.512 56.400 0.015 0.000 0.809 1272 E CB -0.277 29.478 29.700 0.092 0.000 0.756 1272 E HN 0.493 nan 8.360 nan 0.000 0.459 1273 A N 0.389 123.160 122.820 -0.081 0.000 1.902 1273 A HA -0.134 4.186 4.320 0.000 0.000 0.217 1273 A C 2.223 179.887 177.584 0.133 0.000 1.181 1273 A CA 1.313 53.280 52.037 -0.117 0.000 0.623 1273 A CB -0.687 17.998 19.000 -0.525 0.000 0.818 1273 A HN 0.335 nan 8.150 nan 0.000 0.443 1274 L N -0.680 120.610 121.223 0.112 0.000 2.093 1274 L HA -0.192 4.148 4.340 0.000 0.000 0.208 1274 L C 2.540 179.436 176.870 0.042 0.000 1.085 1274 L CA 1.591 56.493 54.840 0.103 0.000 0.755 1274 L CB -0.392 41.665 42.059 -0.003 0.000 0.904 1274 L HN 0.365 nan 8.230 nan 0.000 0.435 1275 K N 0.085 120.462 120.400 -0.039 0.000 2.097 1275 K HA -0.107 4.213 4.320 0.000 0.000 0.205 1275 K C 2.071 178.702 176.600 0.051 0.000 1.050 1275 K CA 1.170 57.444 56.287 -0.021 0.000 0.938 1275 K CB -0.120 32.330 32.500 -0.084 0.000 0.718 1275 K HN 0.273 nan 8.250 nan 0.000 0.442 1276 I N 1.202 121.797 120.570 0.041 0.000 2.202 1276 I HA -0.257 3.913 4.170 0.000 0.000 0.242 1276 I C 2.574 178.771 176.117 0.133 0.000 1.091 1276 I CA 0.987 62.322 61.300 0.059 0.000 1.368 1276 I CB -0.376 37.629 38.000 0.009 0.000 1.058 1276 I HN 0.129 nan 8.210 nan 0.000 0.410 1277 A N 0.797 123.713 122.820 0.160 0.000 1.883 1277 A HA -0.231 4.089 4.320 0.000 0.000 0.217 1277 A C 2.532 180.172 177.584 0.092 0.000 1.186 1277 A CA 2.075 54.200 52.037 0.147 0.000 0.624 1277 A CB -0.934 18.244 19.000 0.297 0.000 0.822 1277 A HN 0.449 nan 8.150 nan 0.000 0.444 1278 A N -1.208 121.675 122.820 0.106 0.000 1.883 1278 A HA -0.093 4.227 4.320 0.000 0.000 0.217 1278 A C 2.088 179.732 177.584 0.099 0.000 1.186 1278 A CA 1.699 53.786 52.037 0.083 0.000 0.624 1278 A CB -0.795 18.255 19.000 0.082 0.000 0.822 1278 A HN 0.776 nan 8.150 nan 0.000 0.444 1279 F N 0.308 120.254 119.950 -0.006 0.000 2.216 1279 F HA -0.217 4.310 4.527 0.000 0.000 0.300 1279 F C 2.336 178.124 175.800 -0.020 0.000 1.085 1279 F CA 1.484 59.478 58.000 -0.010 0.000 1.326 1279 F CB -0.464 38.531 39.000 -0.008 0.000 1.027 1279 F HN 0.302 nan 8.300 nan 0.000 0.497 1280 C N 0.030 119.422 119.300 0.154 0.000 2.453 1280 C HA -0.149 4.311 4.460 0.000 0.000 0.277 1280 C C 2.768 177.708 174.990 -0.084 0.000 1.262 1280 C CA 0.962 59.998 59.018 0.031 0.000 1.718 1280 C CB -1.037 26.718 27.740 0.025 0.000 2.031 1280 C HN 0.511 nan 8.230 nan 0.000 0.480 1281 Q N 0.928 120.689 119.800 -0.065 0.000 2.170 1281 Q HA -0.157 4.183 4.340 0.000 0.000 0.203 1281 Q C 1.858 177.799 176.000 -0.098 0.000 0.976 1281 Q CA 1.593 57.353 55.803 -0.071 0.000 0.858 1281 Q CB -0.283 28.431 28.738 -0.039 0.000 0.907 1281 Q HN 0.698 nan 8.270 nan 0.000 0.433 1282 E N -0.549 119.566 120.200 -0.141 0.000 2.216 1282 E HA -0.076 4.274 4.350 0.000 0.000 0.192 1282 E C 0.510 176.961 176.600 -0.248 0.000 0.988 1282 E CA 0.640 56.933 56.400 -0.178 0.000 0.834 1282 E CB 0.145 29.730 29.700 -0.193 0.000 0.772 1282 E HN 0.343 nan 8.360 nan 0.000 0.479 1283 N N 0.572 119.071 118.700 -0.334 0.000 2.282 1283 N HA 0.034 4.774 4.740 0.000 0.000 0.240 1283 N C -1.074 174.330 175.510 -0.177 0.000 1.182 1283 N CA -0.019 52.842 53.050 -0.316 0.000 0.874 1283 N CB 0.931 39.089 38.487 -0.549 0.000 1.126 1283 N HN -0.085 nan 8.380 nan 0.000 0.516 1284 D N 0.652 120.973 120.400 -0.131 0.000 2.772 1284 D HA -0.176 4.464 4.640 0.000 0.000 0.233 1284 D C -0.793 175.465 176.300 -0.069 0.000 1.143 1284 D CA 0.766 54.714 54.000 -0.086 0.000 0.700 1284 D CB -0.971 39.786 40.800 -0.072 0.000 1.076 1284 D HN 0.382 nan 8.370 nan 0.000 0.430 1285 L N 0.876 122.059 121.223 -0.066 0.000 2.272 1285 L HA 0.369 4.709 4.340 0.000 0.000 0.289 1285 L C 0.934 177.779 176.870 -0.040 0.000 1.032 1285 L CA -0.637 54.184 54.840 -0.031 0.000 0.810 1285 L CB 1.667 43.737 42.059 0.018 0.000 1.205 1285 L HN 0.042 nan 8.230 nan 0.000 0.422 1286 L N 5.134 126.334 121.223 -0.039 0.000 2.530 1286 L HA 0.241 4.581 4.340 0.000 0.000 0.273 1286 L C -0.331 176.551 176.870 0.020 0.000 1.141 1286 L CA 0.065 54.882 54.840 -0.038 0.000 0.905 1286 L CB 1.020 43.030 42.059 -0.081 0.000 1.202 1286 L HN 0.429 nan 8.230 nan 0.000 0.473 1287 V N 7.553 127.428 119.914 -0.065 0.000 2.547 1287 V HA 0.667 4.787 4.120 0.000 0.000 0.299 1287 V C -0.912 175.140 176.094 -0.070 0.000 1.040 1287 V CA -0.331 61.899 62.300 -0.118 0.000 0.913 1287 V CB 1.573 33.208 31.823 -0.314 0.000 0.992 1287 V HN 0.884 nan 8.190 nan 0.000 0.449 1288 W N 4.983 126.249 121.300 -0.056 0.000 3.118 1288 W HA 0.559 5.219 4.660 0.000 0.000 0.328 1288 W C -2.271 174.457 176.519 0.348 0.000 1.239 1288 W CA -1.636 55.849 57.345 0.233 0.000 1.176 1288 W CB 1.451 31.135 29.460 0.374 0.000 1.433 1288 W HN 0.603 nan 8.180 nan 0.000 0.562 1289 L N 2.864 124.369 121.223 0.471 0.000 2.276 1289 L HA 0.659 4.999 4.340 0.000 0.000 0.286 1289 L C 0.606 177.438 176.870 -0.062 0.000 1.061 1289 L CA 0.434 55.339 54.840 0.109 0.000 0.807 1289 L CB 0.812 42.944 42.059 0.120 0.000 1.177 1289 L HN 0.645 nan 8.230 nan 0.000 0.429 1290 G N 2.528 111.129 108.800 -0.332 0.000 2.502 1290 G HA2 0.612 4.572 3.960 0.000 0.000 0.305 1290 G HA3 0.612 4.572 3.960 0.000 0.000 0.305 1290 G C -0.437 174.384 174.900 -0.131 0.000 1.190 1290 G CA -0.230 44.709 45.100 -0.269 0.000 0.933 1290 G HN 0.859 nan 8.290 nan 0.000 0.503 1291 G N -1.261 107.477 108.800 -0.104 0.000 2.489 1291 G HA2 0.528 4.488 3.960 0.000 0.000 0.327 1291 G HA3 0.528 4.488 3.960 0.000 0.000 0.327 1291 G C -0.184 174.606 174.900 -0.184 0.000 1.189 1291 G CA -0.755 44.262 45.100 -0.140 0.000 0.962 1291 G HN 0.471 nan 8.290 nan 0.000 0.486 1292 M N 0.788 120.297 119.600 -0.152 0.000 3.181 1292 M HA 0.246 4.726 4.480 0.000 0.000 0.422 1292 M C -0.596 175.810 176.300 0.177 0.000 1.481 1292 M CA -0.204 55.074 55.300 -0.037 0.000 0.783 1292 M CB 0.461 32.982 32.600 -0.131 0.000 1.437 1292 M HN 0.518 nan 8.290 nan 0.000 0.505 1293 F N 0.175 120.102 119.950 -0.038 0.000 3.027 1293 F HA -0.246 4.281 4.527 0.000 0.000 0.276 1293 F C 0.434 176.337 175.800 0.171 0.000 0.967 1293 F CA 0.355 58.367 58.000 0.020 0.000 0.929 1293 F CB -2.032 37.049 39.000 0.134 0.000 0.873 1293 F HN 0.282 nan 8.300 nan 0.000 0.787 1294 E N 0.103 120.391 120.200 0.147 0.000 2.392 1294 E HA 0.418 4.769 4.350 0.000 0.000 0.259 1294 E C 0.667 177.233 176.600 -0.057 0.000 1.108 1294 E CA 0.284 56.676 56.400 -0.013 0.000 0.916 1294 E CB 0.590 30.262 29.700 -0.047 0.000 0.989 1294 E HN 0.341 nan 8.360 nan 0.000 0.432 1295 S N 0.144 115.593 115.700 -0.420 0.000 2.671 1295 S HA 0.321 4.791 4.470 0.000 0.000 0.272 1295 S C 1.448 175.993 174.600 -0.091 0.000 1.174 1295 S CA -0.362 57.562 58.200 -0.461 0.000 1.004 1295 S CB 1.086 63.753 63.200 -0.889 0.000 1.077 1295 S HN 0.588 nan 8.310 nan 0.000 0.553 1296 G N -0.223 108.609 108.800 0.053 0.000 2.479 1296 G HA2 -0.112 3.848 3.960 0.000 0.000 0.220 1296 G HA3 -0.112 3.848 3.960 0.000 0.000 0.220 1296 G C 1.121 176.179 174.900 0.264 0.000 1.115 1296 G CA 0.859 46.151 45.100 0.320 0.000 0.757 1296 G HN 0.550 nan 8.290 nan 0.000 0.560 1297 V N 1.239 121.213 119.914 0.100 0.000 2.270 1297 V HA -0.029 4.091 4.120 0.000 0.000 0.245 1297 V C 3.104 179.276 176.094 0.130 0.000 1.043 1297 V CA 2.097 64.479 62.300 0.136 0.000 1.014 1297 V CB -1.025 30.859 31.823 0.102 0.000 0.645 1297 V HN 0.410 nan 8.190 nan 0.000 0.447 1298 G N -0.603 108.224 108.800 0.044 0.000 2.422 1298 G HA2 -0.262 3.699 3.960 0.000 0.000 0.218 1298 G HA3 -0.262 3.699 3.960 0.000 0.000 0.218 1298 G C 1.710 176.609 174.900 -0.001 0.000 1.140 1298 G CA 0.802 45.916 45.100 0.024 0.000 0.775 1298 G HN 0.429 nan 8.290 nan 0.000 0.545 1299 R N 0.472 120.960 120.500 -0.020 0.000 2.092 1299 R HA 0.079 4.420 4.340 0.000 0.000 0.231 1299 R C 2.779 178.941 176.300 -0.229 0.000 1.119 1299 R CA 1.404 57.410 56.100 -0.156 0.000 0.970 1299 R CB -0.314 29.849 30.300 -0.229 0.000 0.864 1299 R HN 0.263 nan 8.270 nan 0.000 0.440 1300 A N 0.958 123.787 122.820 0.015 0.000 1.902 1300 A HA -0.147 4.173 4.320 0.000 0.000 0.217 1300 A C 1.995 179.645 177.584 0.111 0.000 1.181 1300 A CA 1.230 53.357 52.037 0.151 0.000 0.623 1300 A CB -0.548 18.677 19.000 0.375 0.000 0.818 1300 A HN 0.396 nan 8.150 nan 0.000 0.443 1301 L N 0.313 121.608 121.223 0.119 0.000 2.056 1301 L HA -0.114 4.226 4.340 0.000 0.000 0.207 1301 L C 1.752 178.683 176.870 0.101 0.000 1.078 1301 L CA 2.238 57.169 54.840 0.152 0.000 0.749 1301 L CB -0.886 41.257 42.059 0.139 0.000 0.901 1301 L HN 0.293 nan 8.230 nan 0.000 0.433 1302 N N -0.039 118.660 118.700 -0.001 0.000 2.069 1302 N HA -0.193 4.547 4.740 0.000 0.000 0.191 1302 N C 1.908 177.399 175.510 -0.031 0.000 1.031 1302 N CA 1.980 55.000 53.050 -0.050 0.000 0.852 1302 N CB -0.529 37.902 38.487 -0.094 0.000 1.018 1302 N HN 0.382 nan 8.380 nan 0.000 0.423 1303 L N 1.014 122.203 121.223 -0.057 0.000 2.046 1303 L HA -0.185 4.155 4.340 0.000 0.000 0.208 1303 L C 2.391 179.278 176.870 0.027 0.000 1.077 1303 L CA 1.237 56.049 54.840 -0.046 0.000 0.747 1303 L CB -0.419 41.585 42.059 -0.091 0.000 0.896 1303 L HN 0.229 nan 8.230 nan 0.000 0.432 1304 Q N -1.035 118.829 119.800 0.108 0.000 2.084 1304 Q HA -0.227 4.113 4.340 0.000 0.000 0.202 1304 Q C 2.151 178.318 176.000 0.277 0.000 0.978 1304 Q CA 1.769 57.691 55.803 0.198 0.000 0.844 1304 Q CB -0.137 28.756 28.738 0.258 0.000 0.898 1304 Q HN 0.411 nan 8.270 nan 0.000 0.426 1305 F N 0.480 120.447 119.950 0.028 0.000 2.163 1305 F HA -0.036 4.491 4.527 0.000 0.000 0.297 1305 F C 2.036 177.491 175.800 -0.576 0.000 1.094 1305 F CA 1.099 58.891 58.000 -0.348 0.000 1.290 1305 F CB -0.030 38.659 39.000 -0.518 0.000 1.017 1305 F HN -0.026 nan 8.300 nan 0.000 0.483 1306 A N -0.649 122.001 122.820 -0.283 0.000 2.209 1306 A HA -0.060 4.260 4.320 0.000 0.000 0.212 1306 A C 2.103 179.534 177.584 -0.254 0.000 1.158 1306 A CA 1.157 52.886 52.037 -0.513 0.000 0.742 1306 A CB -1.142 17.746 19.000 -0.185 0.000 0.790 1306 A HN 0.453 nan 8.150 nan 0.000 0.472 1307 S N -0.447 115.169 115.700 -0.141 0.000 2.522 1307 S HA -0.035 4.435 4.470 0.000 0.000 0.227 1307 S C 0.746 175.335 174.600 -0.018 0.000 0.986 1307 S CA -0.084 58.095 58.200 -0.035 0.000 0.929 1307 S CB -0.421 62.784 63.200 0.008 0.000 0.769 1307 S HN 0.664 nan 8.310 nan 0.000 0.529 1308 Q N 2.706 122.453 119.800 -0.087 0.000 2.286 1308 Q HA 0.108 4.448 4.340 0.000 0.000 0.290 1308 Q C -1.486 174.592 176.000 0.130 0.000 1.049 1308 Q CA -1.263 54.541 55.803 0.003 0.000 0.923 1308 Q CB 0.321 29.027 28.738 -0.053 0.000 1.183 1308 Q HN 0.291 nan 8.270 nan 0.000 0.383 1309 P HA -0.177 nan 4.420 nan 0.000 0.223 1309 P C 0.647 178.033 177.300 0.142 0.000 1.144 1309 P CA 1.190 64.356 63.100 0.110 0.000 0.783 1309 P CB 0.223 31.963 31.700 0.066 0.000 0.771 1310 T N -0.381 114.278 114.554 0.174 0.000 2.833 1310 T HA -0.085 4.265 4.350 0.000 0.000 0.269 1310 T C 0.676 175.429 174.700 0.089 0.000 1.054 1310 T CA 0.860 63.025 62.100 0.108 0.000 1.135 1310 T CB -0.758 68.152 68.868 0.071 0.000 0.869 1310 T HN 0.121 nan 8.240 nan 0.000 0.466 1311 F N 2.636 122.626 119.950 0.067 0.000 2.661 1311 F HA 0.157 4.684 4.527 0.000 0.000 0.356 1311 F C 1.834 177.710 175.800 0.126 0.000 1.244 1311 F CA -0.845 57.231 58.000 0.127 0.000 1.290 1311 F CB -0.216 38.861 39.000 0.129 0.000 1.677 1311 F HN 0.138 nan 8.300 nan 0.000 0.649 1312 S N 1.237 117.059 115.700 0.204 0.000 2.383 1312 S HA -0.169 4.301 4.470 0.000 0.000 0.227 1312 S C 0.547 175.265 174.600 0.197 0.000 1.026 1312 S CA 0.209 58.507 58.200 0.164 0.000 0.981 1312 S CB -0.375 62.893 63.200 0.113 0.000 0.818 1312 S HN 0.359 nan 8.310 nan 0.000 0.472 1313 F N 4.937 124.931 119.950 0.074 0.000 2.445 1313 F HA 0.481 5.008 4.527 0.000 0.000 0.359 1313 F C -2.712 173.148 175.800 0.100 0.000 1.101 1313 F CA -3.087 54.928 58.000 0.026 0.000 1.177 1313 F CB 0.198 39.160 39.000 -0.063 0.000 1.110 1313 F HN -0.038 nan 8.300 nan 0.000 0.522 1314 P HA 0.125 nan 4.420 nan 0.000 0.262 1314 P C -0.061 177.106 177.300 -0.221 0.000 1.182 1314 P CA 0.222 63.154 63.100 -0.281 0.000 0.761 1314 P CB 0.550 32.056 31.700 -0.325 0.000 0.795 1315 G N 1.655 110.520 108.800 0.108 0.000 2.531 1315 G HA2 0.228 4.188 3.960 0.000 0.000 0.313 1315 G HA3 0.228 4.188 3.960 0.000 0.000 0.313 1315 G C -0.721 174.308 174.900 0.215 0.000 1.238 1315 G CA -0.573 44.735 45.100 0.347 0.000 0.994 1315 G HN 0.349 nan 8.290 nan 0.000 0.493 1316 D N 0.838 121.415 120.400 0.295 0.000 2.517 1316 D HA 0.243 4.883 4.640 0.000 0.000 0.220 1316 D C -0.047 176.296 176.300 0.071 0.000 1.158 1316 D CA 0.628 54.724 54.000 0.159 0.000 0.992 1316 D CB 0.425 41.328 40.800 0.172 0.000 1.058 1316 D HN 0.138 nan 8.370 nan 0.000 0.516 1317 I N 0.908 121.506 120.570 0.047 0.000 2.533 1317 I HA 0.227 4.397 4.170 0.000 0.000 0.290 1317 I C 0.077 176.194 176.117 0.000 0.000 1.056 1317 I CA -0.589 60.709 61.300 -0.004 0.000 1.057 1317 I CB 1.938 39.916 38.000 -0.036 0.000 1.240 1317 I HN 0.045 nan 8.210 nan 0.000 0.423 1318 S N 3.485 119.181 115.700 -0.008 0.000 2.697 1318 S HA 0.864 5.334 4.470 0.000 0.000 0.289 1318 S C -0.382 174.224 174.600 0.010 0.000 1.149 1318 S CA -0.973 57.224 58.200 -0.004 0.000 0.850 1318 S CB 1.697 64.853 63.200 -0.072 0.000 1.151 1318 S HN 0.725 nan 8.310 nan 0.000 0.491 1319 A N 0.664 123.514 122.820 0.051 0.000 2.425 1319 A HA 0.487 4.808 4.320 0.000 0.000 0.242 1319 A C 1.227 178.918 177.584 0.178 0.000 1.077 1319 A CA -0.041 52.089 52.037 0.155 0.000 0.781 1319 A CB -0.699 18.382 19.000 0.136 0.000 1.020 1319 A HN 0.859 nan 8.150 nan 0.000 0.494 1320 T N 1.055 115.801 114.554 0.319 0.000 2.849 1320 T HA -0.102 4.248 4.350 0.000 0.000 0.270 1320 T C 1.330 176.196 174.700 0.277 0.000 1.066 1320 T CA 1.744 64.063 62.100 0.364 0.000 1.130 1320 T CB -0.187 68.909 68.868 0.380 0.000 0.864 1320 T HN 0.750 nan 8.240 nan 0.000 0.481 1321 E N 1.211 121.506 120.200 0.158 0.000 2.333 1321 E HA -0.087 4.263 4.350 0.000 0.000 0.198 1321 E C 2.108 178.675 176.600 -0.055 0.000 1.007 1321 E CA 0.364 56.804 56.400 0.067 0.000 0.845 1321 E CB -0.306 29.424 29.700 0.051 0.000 0.766 1321 E HN 0.356 nan 8.360 nan 0.000 0.507 1322 R N 0.058 120.482 120.500 -0.127 0.000 2.148 1322 R HA -0.107 4.233 4.340 0.000 0.000 0.227 1322 R C 0.825 176.825 176.300 -0.501 0.000 1.103 1322 R CA 1.015 56.903 56.100 -0.353 0.000 0.983 1322 R CB 0.107 30.100 30.300 -0.511 0.000 0.874 1322 R HN 0.235 nan 8.270 nan 0.000 0.451 1323 Y N -2.277 117.912 120.300 -0.185 0.000 2.589 1323 Y HA 0.272 4.822 4.550 0.000 0.000 0.271 1323 Y C 0.088 175.593 175.900 -0.658 0.000 1.107 1323 Y CA -0.311 57.534 58.100 -0.425 0.000 1.273 1323 Y CB 0.459 38.599 38.460 -0.533 0.000 1.266 1323 Y HN -0.203 nan 8.280 nan 0.000 0.504 1324 F N -2.301 117.702 119.950 0.087 0.000 2.538 1324 F HA 0.356 4.883 4.527 0.000 0.000 0.325 1324 F C 0.393 176.148 175.800 -0.076 0.000 1.066 1324 F CA -1.566 56.436 58.000 0.003 0.000 0.946 1324 F CB 0.703 39.750 39.000 0.078 0.000 1.199 1324 F HN -0.225 nan 8.300 nan 0.000 0.473 1325 Y N -0.099 120.335 120.300 0.224 0.000 2.184 1325 Y HA 0.047 4.597 4.550 0.000 0.000 0.290 1325 Y C 0.793 176.771 175.900 0.130 0.000 1.129 1325 Y CA 1.100 59.280 58.100 0.133 0.000 1.144 1325 Y CB 0.098 38.619 38.460 0.101 0.000 0.995 1325 Y HN 0.440 nan 8.280 nan 0.000 0.513 1326 E N -1.029 119.332 120.200 0.269 0.000 2.410 1326 E HA 0.238 4.588 4.350 0.000 0.000 0.269 1326 E C -1.373 175.275 176.600 0.080 0.000 0.937 1326 E CA -0.861 55.644 56.400 0.175 0.000 0.793 1326 E CB 2.143 31.979 29.700 0.228 0.000 1.314 1326 E HN -0.112 nan 8.360 nan 0.000 0.447 1327 D N 0.120 120.561 120.400 0.069 0.000 2.497 1327 D HA 0.311 4.951 4.640 0.000 0.000 0.243 1327 D C -0.147 176.175 176.300 0.035 0.000 1.039 1327 D CA -0.614 53.393 54.000 0.011 0.000 1.052 1327 D CB 1.494 42.317 40.800 0.038 0.000 1.344 1327 D HN 0.335 nan 8.370 nan 0.000 0.553 1328 I N -0.339 120.242 120.570 0.019 0.000 3.891 1328 I HA 0.317 4.487 4.170 0.000 0.000 0.331 1328 I C 0.432 176.520 176.117 -0.048 0.000 1.406 1328 I CA -0.376 60.938 61.300 0.022 0.000 1.139 1328 I CB -0.818 37.215 38.000 0.056 0.000 1.056 1328 I HN 0.274 nan 8.210 nan 0.000 0.399 1329 I N -3.514 117.029 120.570 -0.045 0.000 2.797 1329 I HA 0.524 4.694 4.170 0.000 0.000 0.307 1329 I C 1.110 177.185 176.117 -0.070 0.000 1.033 1329 I CA -0.663 60.592 61.300 -0.075 0.000 1.071 1329 I CB 1.871 39.824 38.000 -0.078 0.000 1.255 1329 I HN -0.094 nan 8.210 nan 0.000 0.445 1330 T N 0.678 115.192 114.554 -0.068 0.000 2.915 1330 T HA 0.046 4.396 4.350 0.000 0.000 0.269 1330 T C 0.580 175.236 174.700 -0.074 0.000 1.071 1330 T CA 1.244 63.311 62.100 -0.054 0.000 1.132 1330 T CB -0.241 68.605 68.868 -0.036 0.000 0.878 1330 T HN 0.643 nan 8.240 nan 0.000 0.479 1331 E N 2.186 122.307 120.200 -0.132 0.000 2.222 1331 E HA 0.408 4.758 4.350 0.000 0.000 0.267 1331 E C -2.600 173.822 176.600 -0.297 0.000 0.884 1331 E CA -2.386 53.911 56.400 -0.171 0.000 0.764 1331 E CB 1.881 31.485 29.700 -0.160 0.000 1.169 1331 E HN 0.268 nan 8.360 nan 0.000 0.413 1332 P HA 0.294 nan 4.420 nan 0.000 0.281 1332 P C -0.607 176.543 177.300 -0.250 0.000 1.249 1332 P CA -0.385 62.603 63.100 -0.188 0.000 0.810 1332 P CB 0.528 32.204 31.700 -0.039 0.000 1.008 1333 F N 0.880 120.854 119.950 0.040 0.000 2.412 1333 F HA 0.280 4.807 4.527 0.000 0.000 0.348 1333 F C 1.276 177.090 175.800 0.022 0.000 1.102 1333 F CA -0.488 57.532 58.000 0.033 0.000 1.196 1333 F CB 0.303 39.327 39.000 0.039 0.000 1.144 1333 F HN 0.062 nan 8.300 nan 0.000 0.541 1334 I N 4.689 125.371 120.570 0.187 0.000 2.471 1334 I HA 0.167 4.337 4.170 0.000 0.000 0.286 1334 I C -0.455 175.714 176.117 0.086 0.000 1.079 1334 I CA -0.053 61.308 61.300 0.101 0.000 1.398 1334 I CB 0.817 38.857 38.000 0.066 0.000 1.403 1334 I HN 0.448 nan 8.210 nan 0.000 0.530 1335 L N 7.457 128.708 121.223 0.046 0.000 2.446 1335 L HA 0.442 4.782 4.340 0.000 0.000 0.268 1335 L C -1.064 175.785 176.870 -0.034 0.000 0.975 1335 L CA -0.240 54.601 54.840 0.001 0.000 0.848 1335 L CB 1.101 43.164 42.059 0.007 0.000 1.225 1335 L HN 0.610 nan 8.230 nan 0.000 0.410 1336 E N 5.266 125.431 120.200 -0.058 0.000 2.182 1336 E HA 0.279 4.629 4.350 0.000 0.000 0.258 1336 E C -0.876 175.657 176.600 -0.111 0.000 0.879 1336 E CA -0.705 55.656 56.400 -0.065 0.000 0.754 1336 E CB 1.361 31.039 29.700 -0.036 0.000 1.162 1336 E HN 0.426 nan 8.360 nan 0.000 0.419 1337 Q N 1.282 120.998 119.800 -0.140 0.000 2.452 1337 Q HA -0.262 4.078 4.340 0.000 0.000 0.318 1337 Q C 0.763 176.586 176.000 -0.296 0.000 1.386 1337 Q CA 1.286 56.980 55.803 -0.182 0.000 0.872 1337 Q CB -1.746 26.930 28.738 -0.104 0.000 1.151 1337 Q HN 1.196 nan 8.270 nan 0.000 0.417 1338 G N -1.507 106.983 108.800 -0.517 0.000 2.205 1338 G HA2 -0.310 3.650 3.960 0.000 0.000 0.261 1338 G HA3 -0.310 3.650 3.960 0.000 0.000 0.261 1338 G C 0.247 174.955 174.900 -0.319 0.000 0.980 1338 G CA 0.571 45.268 45.100 -0.672 0.000 0.632 1338 G HN 0.434 nan 8.290 nan 0.000 0.533 1339 T N 1.711 116.145 114.554 -0.200 0.000 2.779 1339 T HA 0.688 5.038 4.350 0.000 0.000 0.280 1339 T C 0.308 174.970 174.700 -0.063 0.000 0.987 1339 T CA -0.242 61.795 62.100 -0.105 0.000 0.966 1339 T CB 1.210 70.035 68.868 -0.072 0.000 0.933 1339 T HN 0.269 nan 8.240 nan 0.000 0.442 1340 M N 2.125 121.705 119.600 -0.035 0.000 2.404 1340 M HA 0.355 4.835 4.480 0.000 0.000 0.338 1340 M C 0.177 176.492 176.300 0.025 0.000 1.150 1340 M CA -0.741 54.561 55.300 0.003 0.000 1.016 1340 M CB 1.735 34.333 32.600 -0.004 0.000 1.672 1340 M HN 0.413 nan 8.290 nan 0.000 0.448 1341 T N 2.411 117.001 114.554 0.061 0.000 2.794 1341 T HA 0.283 4.633 4.350 0.000 0.000 0.296 1341 T C -0.003 174.756 174.700 0.098 0.000 0.949 1341 T CA -0.497 61.646 62.100 0.071 0.000 1.101 1341 T CB 0.387 69.302 68.868 0.078 0.000 0.905 1341 T HN 0.360 nan 8.240 nan 0.000 0.516 1342 V N 7.493 127.450 119.914 0.071 0.000 2.508 1342 V HA 0.179 4.299 4.120 0.000 0.000 0.281 1342 V C -1.925 174.232 176.094 0.105 0.000 1.041 1342 V CA -1.845 60.502 62.300 0.079 0.000 1.016 1342 V CB 0.457 32.311 31.823 0.052 0.000 0.984 1342 V HN 0.711 nan 8.190 nan 0.000 0.478 1343 P HA 0.081 nan 4.420 nan 0.000 0.263 1343 P C -0.263 177.092 177.300 0.092 0.000 1.195 1343 P CA 0.243 63.433 63.100 0.151 0.000 0.762 1343 P CB 0.424 32.254 31.700 0.216 0.000 0.799 1344 Q N 1.789 121.629 119.800 0.067 0.000 2.448 1344 Q HA 0.687 5.027 4.340 0.000 0.000 0.192 1344 Q C 0.517 176.541 176.000 0.040 0.000 1.001 1344 Q CA -0.294 55.532 55.803 0.038 0.000 1.018 1344 Q CB 0.493 29.247 28.738 0.025 0.000 1.290 1344 Q HN 0.663 nan 8.270 nan 0.000 0.517 1345 G N -0.310 108.504 108.800 0.023 0.000 2.705 1345 G HA2 -0.167 3.793 3.960 0.000 0.000 0.686 1345 G HA3 -0.167 3.793 3.960 0.000 0.000 0.686 1345 G C -0.738 174.177 174.900 0.024 0.000 1.285 1345 G CA -0.690 44.425 45.100 0.025 0.000 0.800 1345 G HN 0.357 nan 8.290 nan 0.000 0.611 1346 L N 1.939 123.172 121.223 0.016 0.000 2.514 1346 L HA 0.376 4.716 4.340 0.000 0.000 0.280 1346 L C 1.974 178.860 176.870 0.027 0.000 1.223 1346 L CA 1.180 56.027 54.840 0.012 0.000 0.864 1346 L CB -0.292 41.764 42.059 -0.005 0.000 1.118 1346 L HN 2.397 nan 8.230 nan 0.000 0.494 1347 G N 3.451 112.278 108.800 0.044 0.000 2.574 1347 G HA2 -0.364 3.596 3.960 0.000 0.000 0.286 1347 G HA3 -0.364 3.596 3.960 0.000 0.000 0.286 1347 G C 0.589 175.543 174.900 0.089 0.000 1.212 1347 G CA 0.415 45.554 45.100 0.066 0.000 0.979 1347 G HN 0.923 nan 8.290 nan 0.000 0.557 1348 I N -0.169 120.474 120.570 0.121 0.000 3.564 1348 I HA 0.435 4.605 4.170 0.000 0.000 0.294 1348 I C 1.718 177.937 176.117 0.171 0.000 1.289 1348 I CA 0.974 62.374 61.300 0.167 0.000 1.325 1348 I CB -0.686 37.448 38.000 0.222 0.000 1.039 1348 I HN 2.204 nan 8.210 nan 0.000 0.474 1349 G N 2.488 111.368 108.800 0.133 0.000 2.295 1349 G HA2 -0.178 3.782 3.960 0.000 0.000 0.287 1349 G HA3 -0.178 3.782 3.960 0.000 0.000 0.287 1349 G C 0.033 175.015 174.900 0.137 0.000 1.055 1349 G CA 0.404 45.576 45.100 0.120 0.000 0.922 1349 G HN 0.922 nan 8.290 nan 0.000 0.503 1350 V N -4.075 115.950 119.914 0.186 0.000 3.078 1350 V HA 0.985 5.105 4.120 0.000 0.000 0.311 1350 V C -0.077 176.158 176.094 0.237 0.000 1.138 1350 V CA -0.479 61.919 62.300 0.164 0.000 1.007 1350 V CB 2.265 34.194 31.823 0.175 0.000 1.045 1350 V HN 0.531 nan 8.190 nan 0.000 0.432 1351 T N 3.851 118.484 114.554 0.132 0.000 2.848 1351 T HA 0.621 4.971 4.350 0.000 0.000 0.285 1351 T C -0.251 174.444 174.700 -0.008 0.000 0.995 1351 T CA -0.486 61.699 62.100 0.142 0.000 0.970 1351 T CB 1.356 70.281 68.868 0.094 0.000 0.976 1351 T HN 0.745 nan 8.240 nan 0.000 0.441 1352 L N 2.126 123.272 121.223 -0.129 0.000 2.461 1352 L HA 0.293 4.633 4.340 0.000 0.000 0.272 1352 L C 1.002 177.789 176.870 -0.139 0.000 1.197 1352 L CA -0.351 54.343 54.840 -0.244 0.000 0.836 1352 L CB 0.557 42.349 42.059 -0.445 0.000 1.105 1352 L HN 0.587 nan 8.230 nan 0.000 0.477 1353 S N 1.788 117.409 115.700 -0.132 0.000 2.409 1353 S HA 0.103 4.573 4.470 0.000 0.000 0.308 1353 S C 0.918 175.458 174.600 -0.099 0.000 1.080 1353 S CA -0.806 57.345 58.200 -0.081 0.000 1.081 1353 S CB 0.683 63.858 63.200 -0.042 0.000 1.009 1353 S HN 0.567 nan 8.310 nan 0.000 0.502 1354 Q N 2.856 122.605 119.800 -0.085 0.000 2.135 1354 Q HA -0.108 4.232 4.340 0.000 0.000 0.204 1354 Q C 2.328 178.288 176.000 -0.067 0.000 0.981 1354 Q CA 2.212 57.966 55.803 -0.080 0.000 0.856 1354 Q CB -1.216 27.491 28.738 -0.052 0.000 0.902 1354 Q HN 0.992 nan 8.270 nan 0.000 0.425 1355 T N -0.321 114.199 114.554 -0.056 0.000 2.674 1355 T HA -0.132 4.218 4.350 0.000 0.000 0.265 1355 T C 1.567 176.219 174.700 -0.080 0.000 1.039 1355 T CA 1.522 63.585 62.100 -0.061 0.000 1.150 1355 T CB -0.283 68.557 68.868 -0.047 0.000 0.864 1355 T HN 0.098 nan 8.240 nan 0.000 0.427 1356 N N 1.416 120.088 118.700 -0.045 0.000 2.309 1356 N HA 0.134 4.875 4.740 0.000 0.000 0.182 1356 N C 1.849 177.361 175.510 0.005 0.000 1.018 1356 N CA 0.629 53.676 53.050 -0.005 0.000 0.876 1356 N CB -0.561 38.013 38.487 0.147 0.000 0.972 1356 N HN 0.412 nan 8.380 nan 0.000 0.434 1357 L N 0.124 121.321 121.223 -0.043 0.000 2.093 1357 L HA -0.037 4.303 4.340 0.000 0.000 0.208 1357 L C 2.183 179.048 176.870 -0.008 0.000 1.085 1357 L CA 0.574 55.382 54.840 -0.054 0.000 0.755 1357 L CB -0.270 41.652 42.059 -0.227 0.000 0.904 1357 L HN 0.194 nan 8.230 nan 0.000 0.435 1358 L N -0.151 121.044 121.223 -0.046 0.000 2.141 1358 L HA -0.205 4.136 4.340 0.000 0.000 0.209 1358 L C 2.522 179.324 176.870 -0.112 0.000 1.094 1358 L CA 1.401 56.212 54.840 -0.048 0.000 0.763 1358 L CB -0.101 41.921 42.059 -0.062 0.000 0.908 1358 L HN 0.219 nan 8.230 nan 0.000 0.437 1359 K N -1.067 119.190 120.400 -0.239 0.000 2.167 1359 K HA -0.088 4.232 4.320 0.000 0.000 0.203 1359 K C 0.912 177.231 176.600 -0.467 0.000 1.052 1359 K CA 1.108 57.123 56.287 -0.452 0.000 0.956 1359 K CB 0.118 32.137 32.500 -0.802 0.000 0.735 1359 K HN 0.330 nan 8.250 nan 0.000 0.451 1360 Y N 0.073 120.359 120.300 -0.023 0.000 2.557 1360 Y HA 0.181 4.731 4.550 0.000 0.000 0.247 1360 Y C 0.426 176.288 175.900 -0.064 0.000 1.164 1360 Y CA -0.718 57.357 58.100 -0.040 0.000 1.218 1360 Y CB 0.602 39.033 38.460 -0.048 0.000 1.210 1360 Y HN -0.084 nan 8.280 nan 0.000 0.529 1361 S N -0.927 114.823 115.700 0.082 0.000 2.638 1361 S HA 0.627 5.097 4.470 0.000 0.000 0.274 1361 S C -1.317 173.333 174.600 0.082 0.000 1.157 1361 S CA -1.020 57.219 58.200 0.065 0.000 0.826 1361 S CB 2.436 65.700 63.200 0.108 0.000 1.139 1361 S HN -0.054 nan 8.310 nan 0.000 0.474 1362 Q N 1.240 121.076 119.800 0.060 0.000 2.322 1362 Q HA 0.396 4.736 4.340 0.000 0.000 0.265 1362 Q C -1.506 174.513 176.000 0.032 0.000 0.985 1362 Q CA -0.412 55.417 55.803 0.044 0.000 0.849 1362 Q CB 1.662 30.398 28.738 -0.003 0.000 1.274 1362 Q HN 0.804 nan 8.270 nan 0.000 0.449 1363 Y N 1.831 122.066 120.300 -0.107 0.000 2.307 1363 Y HA 0.346 4.896 4.550 0.000 0.000 0.324 1363 Y C -0.408 175.346 175.900 -0.243 0.000 1.238 1363 Y CA -0.094 57.831 58.100 -0.291 0.000 1.280 1363 Y CB 1.170 39.478 38.460 -0.254 0.000 1.248 1363 Y HN 0.586 nan 8.280 nan 0.000 0.508 1364 Q N 5.366 124.419 119.800 -1.245 0.000 2.313 1364 Q HA 0.211 4.551 4.340 0.000 0.000 0.260 1364 Q C -1.968 173.412 176.000 -1.032 0.000 0.972 1364 Q CA -0.902 54.369 55.803 -0.886 0.000 0.886 1364 Q CB 1.433 29.908 28.738 -0.439 0.000 1.373 1364 Q HN 0.801 nan 8.270 nan 0.000 0.416 1365 K N 5.582 125.561 120.400 -0.703 0.000 2.268 1365 K HA 0.292 4.612 4.320 0.000 0.000 0.276 1365 K C 0.461 176.944 176.600 -0.195 0.000 1.080 1365 K CA -0.119 55.943 56.287 -0.374 0.000 0.910 1365 K CB 0.452 32.879 32.500 -0.122 0.000 1.163 1365 K HN 0.705 nan 8.250 nan 0.000 0.465 1366 I N 3.544 124.027 120.570 -0.145 0.000 2.233 1366 I HA -0.123 4.047 4.170 0.000 0.000 0.243 1366 I C 1.260 177.355 176.117 -0.036 0.000 1.093 1366 I CA 1.048 62.306 61.300 -0.070 0.000 1.380 1366 I CB 0.063 38.056 38.000 -0.011 0.000 1.067 1366 I HN 0.665 nan 8.210 nan 0.000 0.413 1367 M N 0.000 119.592 119.600 -0.014 0.000 2.572 1367 M HA 0.000 4.480 4.480 0.000 0.000 0.227 1367 M CA 0.000 55.302 55.300 0.003 0.000 0.988 1367 M CB 0.000 32.609 32.600 0.015 0.000 1.302 1367 M HN 0.000 nan 8.290 nan 0.000 0.411